NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27886 |
2tmp   |
4214 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H CYS 1 HN CYS 1 -10.903 -9.353 -9.353
2 HA CYS 1 HA CYS 1 -10.774 -11.731 -11.731
3 1HB CYS 1 HB2 CYS 1 -8.302 -11.841 -11.841
4 2HB CYS 1 HB3 CYS 1 -9.532 -10.923 -10.923
5 H SER 2 HN SER 2 -9.205 -10.227 -10.227
6 HA SER 2 HA SER 2 -8.140 -10.945 -10.945
7 1HB SER 2 HB2 SER 2 -8.736 -13.493 -13.493
8 2HB SER 2 HB3 SER 2 -9.905 -12.200 -12.200
9 HG SER 2 HG SER 2 -9.670 -14.037 -14.037
10 H CYS 3 HN CYS 3 -6.851 -11.290 -11.290
11 HA CYS 3 HA CYS 3 -5.526 -13.638 -13.638
12 1HB CYS 3 HB2 CYS 3 -5.473 -11.185 -11.185
13 2HB CYS 3 HB3 CYS 3 -3.882 -11.231 -11.231
14 H SER 4 HN SER 4 -2.886 -13.662 -13.662
15 HA SER 4 HA SER 4 -2.482 -13.017 -13.017
16 1HB SER 4 HB2 SER 4 -1.169 -15.032 -15.032
17 2HB SER 4 HB3 SER 4 -2.687 -15.482 -15.482
18 HG SER 4 HG SER 4 -1.068 -14.905 -14.905
19 HA PRO 5 HA PRO 5 0.746 -10.685 -10.685
20 1HB PRO 5 HB2 PRO 5 1.298 -9.071 -9.071
21 2HB PRO 5 HB3 PRO 5 0.060 -8.703 -8.703
22 1HG PRO 5 HG2 PRO 5 -0.258 -9.702 -9.702
23 2HG PRO 5 HG3 PRO 5 -1.448 -8.936 -8.936
24 1HD PRO 5 HD2 PRO 5 -1.242 -11.733 -11.733
25 2HD PRO 5 HD3 PRO 5 -2.357 -10.981 -10.981
26 H VAL 6 HN VAL 6 2.831 -11.160 -11.160
27 HA VAL 6 HA VAL 6 4.404 -11.909 -11.909
28 HB VAL 6 HB VAL 6 3.153 -13.980 -13.980
29 1HG1 VAL 6 HG13 VAL 6 4.008 -13.216 -13.216
30 2HG1 VAL 6 HG11 VAL 6 4.738 -14.791 -14.791
31 3HG1 VAL 6 HG12 VAL 6 2.973 -14.581 -14.581
32 1HG2 VAL 6 HG23 VAL 6 6.059 -13.650 -13.650
33 2HG2 VAL 6 HG21 VAL 6 4.939 -14.744 -14.744
34 3HG2 VAL 6 HG22 VAL 6 5.584 -15.191 -15.191
35 H HIS 7 HN HIS 7 5.996 -13.433 -13.433
36 HA HIS 7 HA HIS 7 7.903 -12.820 -12.820
37 1HB HIS 7 HB2 HIS 7 7.259 -11.131 -11.131
38 2HB HIS 7 HB3 HIS 7 6.846 -12.834 -12.834
39 HD1 HIS 7 HD1 HIS 7 4.455 -13.305 -13.305
40 HD2 HIS 7 HD2 HIS 7 4.962 -9.534 -9.534
41 HE1 HIS 7 HE1 HIS 7 2.147 -12.216 -12.216
42 HA PRO 8 HA PRO 8 8.768 -9.048 -9.048
43 1HB PRO 8 HB2 PRO 8 11.070 -9.909 -9.909
44 2HB PRO 8 HB3 PRO 8 9.492 -10.052 -10.052
45 1HG PRO 8 HG2 PRO 8 11.144 -12.156 -12.156
46 2HG PRO 8 HG3 PRO 8 9.796 -12.333 -12.333
47 1HD PRO 8 HD2 PRO 8 9.755 -12.755 -12.755
48 2HD PRO 8 HD3 PRO 8 8.384 -12.818 -12.818
49 H GLN 9 HN GLN 9 9.889 -10.500 -10.500
50 HA GLN 9 HA GLN 9 11.635 -8.237 -8.237
51 1HB GLN 9 HB2 GLN 9 13.123 -10.100 -10.100
52 2HB GLN 9 HB3 GLN 9 12.402 -11.136 -11.136
53 1HG GLN 9 HG2 GLN 9 13.912 -10.363 -10.363
54 2HG GLN 9 HG3 GLN 9 13.160 -8.783 -8.783
55 1HE2 GLN 9 HE21 GLN 9 13.721 -7.719 -7.719
56 2HE2 GLN 9 HE22 GLN 9 15.417 -7.598 -7.598
57 H GLN 10 HN GLN 10 9.870 -11.106 -11.106
58 HA GLN 10 HA GLN 10 10.006 -10.314 -10.314
59 1HB GLN 10 HB2 GLN 10 7.653 -11.878 -11.878
60 2HB GLN 10 HB3 GLN 10 8.553 -12.110 -12.110
61 1HG GLN 10 HG2 GLN 10 10.575 -12.613 -12.613
62 2HG GLN 10 HG3 GLN 10 9.273 -12.958 -12.958
63 1HE2 GLN 10 HE22 GLN 10 10.240 -16.103 -16.103
64 2HE2 GLN 10 HE21 GLN 10 11.009 -14.908 -14.908
65 H ALA 11 HN ALA 11 8.553 -8.741 -8.741
66 HA ALA 11 HA ALA 11 6.161 -7.908 -7.908
67 1HB ALA 11 HB1 ALA 11 7.309 -7.793 -7.793
68 2HB ALA 11 HB2 ALA 11 6.559 -6.255 -6.255
69 3HB ALA 11 HB3 ALA 11 5.606 -7.757 -7.757
70 H PHE 12 HN PHE 12 9.460 -6.697 -6.697
71 HA PHE 12 HA PHE 12 8.842 -4.140 -4.140
72 1HB PHE 12 HB2 PHE 12 11.357 -5.524 -5.524
73 2HB PHE 12 HB3 PHE 12 11.373 -3.873 -3.873
74 HD1 PHE 12 HD1 PHE 12 8.996 -5.755 -5.755
75 HD2 PHE 12 HD2 PHE 12 11.586 -2.420 -2.420
76 HE1 PHE 12 HE1 PHE 12 8.312 -4.938 -4.938
77 HE2 PHE 12 HE2 PHE 12 10.902 -1.602 -1.602
78 HZ PHE 12 HZ PHE 12 9.273 -2.871 -2.871
79 H CYS 13 HN CYS 13 9.517 -7.219 -7.219
80 HA CYS 13 HA CYS 13 11.098 -6.174 -6.174
81 1HB CYS 13 HB2 CYS 13 10.909 -8.777 -8.777
82 2HB CYS 13 HB3 CYS 13 10.920 -8.884 -8.884
83 H ASN 14 HN ASN 14 7.916 -7.011 -7.011
84 HA ASN 14 HA ASN 14 7.063 -7.687 -7.687
85 1HB ASN 14 HB2 ASN 14 6.172 -8.335 -8.335
86 2HB ASN 14 HB3 ASN 14 4.886 -7.390 -7.390
87 1HD2 ASN 14 HD22 ASN 14 5.597 -11.237 -11.237
88 2HD2 ASN 14 HD21 ASN 14 6.440 -10.390 -10.390
89 H ALA 15 HN ALA 15 6.674 -5.233 -5.233
90 HA ALA 15 HA ALA 15 4.690 -3.681 -3.681
91 1HB ALA 15 HB1 ALA 15 7.078 -2.935 -2.935
92 2HB ALA 15 HB2 ALA 15 5.686 -1.871 -1.871
93 3HB ALA 15 HB3 ALA 15 5.455 -3.407 -3.407
94 H ASP 16 HN ASP 16 5.230 -1.244 -1.244
95 HA ASP 16 HA ASP 16 7.530 -1.161 -1.161
96 1HB ASP 16 HB2 ASP 16 4.716 -1.464 -1.464
97 2HB ASP 16 HB3 ASP 16 5.677 -0.247 -0.247
98 H VAL 17 HN VAL 17 5.942 0.167 0.167
99 HA VAL 17 HA VAL 17 6.649 2.832 2.832
100 HB VAL 17 HB VAL 17 4.628 2.844 2.844
101 1HG1 VAL 17 HG11 VAL 17 3.409 1.528 1.528
102 2HG1 VAL 17 HG12 VAL 17 2.409 2.401 2.401
103 3HG1 VAL 17 HG13 VAL 17 3.377 0.999 0.999
104 1HG2 VAL 17 HG23 VAL 17 5.123 4.835 4.835
105 2HG2 VAL 17 HG21 VAL 17 3.382 4.618 4.618
106 3HG2 VAL 17 HG22 VAL 17 4.077 4.171 4.171
107 H VAL 18 HN VAL 18 7.918 2.457 2.457
108 HA VAL 18 HA VAL 18 6.390 1.991 1.991
109 HB VAL 18 HB VAL 18 9.361 2.247 2.247
110 1HG1 VAL 18 HG13 VAL 18 7.291 1.110 1.110
111 2HG1 VAL 18 HG11 VAL 18 8.642 -0.011 -0.011
112 3HG1 VAL 18 HG12 VAL 18 8.958 1.606 1.606
113 1HG2 VAL 18 HG22 VAL 18 8.159 0.672 0.672
114 2HG2 VAL 18 HG23 VAL 18 9.791 0.423 0.423
115 3HG2 VAL 18 HG21 VAL 18 8.410 -0.477 -0.477
116 H ILE 19 HN ILE 19 5.680 3.717 3.717
117 HA ILE 19 HA ILE 19 7.425 6.043 6.043
118 HB ILE 19 HB ILE 19 5.711 7.590 7.590
119 1HG1 ILE 19 HG12 ILE 19 3.925 5.227 5.227
120 2HG1 ILE 19 HG13 ILE 19 3.662 6.894 6.894
121 1HG2 ILE 19 HG21 ILE 19 7.039 6.274 6.274
122 2HG2 ILE 19 HG22 ILE 19 5.453 5.567 5.567
123 3HG2 ILE 19 HG23 ILE 19 5.688 7.329 7.329
124 1HD1 ILE 19 HD12 ILE 19 3.575 7.452 7.452
125 2HD1 ILE 19 HD13 ILE 19 3.473 5.695 5.695
126 3HD1 ILE 19 HD11 ILE 19 2.204 6.530 6.530
127 H ARG 20 HN ARG 20 7.652 6.669 6.669
128 HA ARG 20 HA ARG 20 6.099 5.317 5.317
129 1HB ARG 20 HB2 ARG 20 8.605 6.044 6.044
130 2HB ARG 20 HB3 ARG 20 8.003 7.643 7.643
131 1HG ARG 20 HG2 ARG 20 6.545 5.864 5.864
132 2HG ARG 20 HG3 ARG 20 8.201 5.288 5.288
133 1HD ARG 20 HD2 ARG 20 7.240 8.117 8.117
134 2HD ARG 20 HD3 ARG 20 7.900 6.955 6.955
135 HE ARG 20 HE ARG 20 9.757 7.459 7.459
136 1HH1 ARG 20 HH22 ARG 20 8.541 8.795 8.795
137 2HH1 ARG 20 HH21 ARG 20 9.976 9.710 9.710
138 1HH2 ARG 20 HH12 ARG 20 11.651 8.667 8.667
139 2HH2 ARG 20 HH11 ARG 20 11.757 9.636 9.636
140 H THR 21 HN THR 21 4.379 6.862 6.862
141 HA THR 21 HA THR 21 3.885 9.440 9.440
142 HB THR 21 HB THR 21 3.118 8.839 8.839
143 HG1 THR 21 HG1 THR 21 0.873 8.677 8.677
144 1HG2 THR 21 HG21 THR 21 2.831 6.298 6.298
145 2HG2 THR 21 HG22 THR 21 1.201 6.801 6.801
146 3HG2 THR 21 HG23 THR 21 1.702 6.994 6.994
147 H LYS 22 HN LYS 22 1.598 9.980 9.980
148 HA LYS 22 HA LYS 22 1.051 8.046 8.046
149 1HB LYS 22 HB2 LYS 22 0.855 9.835 9.835
150 2HB LYS 22 HB3 LYS 22 2.435 9.916 9.916
151 1HG LYS 22 HG2 LYS 22 1.712 11.736 11.736
152 2HG LYS 22 HG3 LYS 22 0.049 11.570 11.570
153 1HD LYS 22 HD2 LYS 22 2.425 12.579 12.579
154 2HD LYS 22 HD3 LYS 22 0.955 13.443 13.443
155 1HE LYS 22 HE2 LYS 22 -0.293 11.596 11.596
156 2HE LYS 22 HE3 LYS 22 1.288 11.142 11.142
157 1HZ LYS 22 HZ2 LYS 22 0.196 13.863 13.863
158 2HZ LYS 22 HZ3 LYS 22 0.125 12.768 12.768
159 3HZ LYS 22 HZ1 LYS 22 1.572 13.321 13.321
160 H ALA 23 HN ALA 23 -1.005 7.331 7.331
161 HA ALA 23 HA ALA 23 -2.890 8.834 8.834
162 1HB ALA 23 HB1 ALA 23 -2.980 6.079 6.079
163 2HB ALA 23 HB2 ALA 23 -4.266 6.763 6.763
164 3HB ALA 23 HB3 ALA 23 -2.658 6.443 6.443
165 H VAL 24 HN VAL 24 -3.924 10.479 10.479
166 HA VAL 24 HA VAL 24 -4.729 9.981 9.981
167 HB VAL 24 HB VAL 24 -4.972 12.577 12.577
168 1HG1 VAL 24 HG12 VAL 24 -2.468 10.941 10.941
169 2HG1 VAL 24 HG13 VAL 24 -2.394 12.714 12.714
170 3HG1 VAL 24 HG11 VAL 24 -3.439 11.775 11.775
171 1HG2 VAL 24 HG22 VAL 24 -4.544 12.635 12.635
172 2HG2 VAL 24 HG23 VAL 24 -3.509 13.715 13.715
173 3HG2 VAL 24 HG21 VAL 24 -2.858 12.179 12.179
174 H SER 25 HN SER 25 -5.734 11.009 11.009
175 HA SER 25 HA SER 25 -8.479 10.918 10.918
176 1HB SER 25 HB2 SER 25 -8.372 13.076 13.076
177 2HB SER 25 HB3 SER 25 -7.082 12.708 12.708
178 HG SER 25 HG SER 25 -9.251 13.172 13.172
179 H GLU 26 HN GLU 26 -10.094 10.200 10.200
180 HA GLU 26 HA GLU 26 -8.886 8.497 8.497
181 1HB GLU 26 HB2 GLU 26 -10.539 7.446 7.446
182 2HB GLU 26 HB3 GLU 26 -10.491 6.588 6.588
183 1HG GLU 26 HG2 GLU 26 -8.592 5.595 5.595
184 2HG GLU 26 HG3 GLU 26 -7.790 7.126 7.126
185 H LYS 27 HN LYS 27 -11.053 7.175 7.175
186 HA LYS 27 HA LYS 27 -13.298 8.991 8.991
187 1HB LYS 27 HB2 LYS 27 -11.713 9.950 9.950
188 2HB LYS 27 HB3 LYS 27 -11.657 8.417 8.417
189 1HG LYS 27 HG2 LYS 27 -13.798 8.650 8.650
190 2HG LYS 27 HG3 LYS 27 -14.392 9.535 9.535
191 1HD LYS 27 HD2 LYS 27 -14.164 10.914 10.914
192 2HD LYS 27 HD3 LYS 27 -13.366 11.590 11.590
193 1HE LYS 27 HE2 LYS 27 -11.192 10.595 10.595
194 2HE LYS 27 HE3 LYS 27 -11.994 9.936 9.936
195 1HZ LYS 27 HZ3 LYS 27 -12.675 12.312 12.312
196 2HZ LYS 27 HZ1 LYS 27 -11.548 12.749 12.749
197 3HZ LYS 27 HZ2 LYS 27 -11.105 11.939 11.939
198 H GLU 28 HN GLU 28 -14.957 7.631 7.631
199 HA GLU 28 HA GLU 28 -14.686 4.879 4.879
200 1HB GLU 28 HB2 GLU 28 -15.948 5.631 5.631
201 2HB GLU 28 HB3 GLU 28 -17.050 6.551 6.551
202 1HG GLU 28 HG2 GLU 28 -17.230 4.023 4.023
203 2HG GLU 28 HG3 GLU 28 -16.984 3.631 3.631
204 H VAL 29 HN VAL 29 -14.452 4.554 4.554
205 HA VAL 29 HA VAL 29 -16.688 5.516 5.516
206 HB VAL 29 HB VAL 29 -15.172 5.204 5.204
207 1HG1 VAL 29 HG13 VAL 29 -15.222 7.287 7.287
208 2HG1 VAL 29 HG11 VAL 29 -13.509 6.833 6.833
209 3HG1 VAL 29 HG12 VAL 29 -14.175 7.235 7.235
210 1HG2 VAL 29 HG23 VAL 29 -13.606 3.750 3.750
211 2HG2 VAL 29 HG21 VAL 29 -13.444 3.804 3.804
212 3HG2 VAL 29 HG22 VAL 29 -12.630 5.026 5.026
213 H ASP 30 HN ASP 30 -18.242 4.025 4.025
214 HA ASP 30 HA ASP 30 -18.014 1.405 1.405
215 1HB ASP 30 HB2 ASP 30 -19.845 3.020 3.020
216 2HB ASP 30 HB3 ASP 30 -19.912 1.286 1.286
217 H SER 31 HN SER 31 -18.103 -0.569 -0.569
218 HA SER 31 HA SER 31 -16.882 -0.076 -0.076
219 1HB SER 31 HB2 SER 31 -14.848 -0.544 -0.544
220 2HB SER 31 HB3 SER 31 -15.564 -1.430 -1.430
221 HG SER 31 HG SER 31 -15.551 -2.486 -2.486
222 H GLY 32 HN GLY 32 -19.493 -1.091 -1.091
223 1HA GLY 32 HA1 GLY 32 -21.119 -2.498 -2.498
224 2HA GLY 32 HA2 GLY 32 -20.004 -3.203 -3.203
225 H ASN 33 HN ASN 33 -21.540 -5.054 -5.054
226 HA ASN 33 HA ASN 33 -20.432 -5.962 -5.962
227 1HB ASN 33 HB2 ASN 33 -22.260 -7.587 -7.587
228 2HB ASN 33 HB3 ASN 33 -22.151 -7.640 -7.640
229 1HD2 ASN 33 HD21 ASN 33 -23.178 -6.140 -6.140
230 2HD2 ASN 33 HD22 ASN 33 -24.348 -5.012 -5.012
231 H ASP 34 HN ASP 34 -19.637 -8.348 -8.348
232 HA ASP 34 HA ASP 34 -17.826 -8.757 -8.757
233 1HB ASP 34 HB2 ASP 34 -17.389 -8.903 -8.903
234 2HB ASP 34 HB3 ASP 34 -17.964 -10.546 -10.546
235 H ILE 35 HN ILE 35 -17.501 -11.650 -11.650
236 HA ILE 35 HA ILE 35 -19.789 -12.549 -12.549
237 HB ILE 35 HB ILE 35 -17.279 -13.973 -13.973
238 1HG1 ILE 35 HG12 ILE 35 -16.709 -13.695 -13.695
239 2HG1 ILE 35 HG13 ILE 35 -18.000 -12.512 -12.512
240 1HG2 ILE 35 HG22 ILE 35 -19.646 -14.833 -14.833
241 2HG2 ILE 35 HG23 ILE 35 -18.028 -15.443 -15.443
242 3HG2 ILE 35 HG21 ILE 35 -18.690 -15.734 -15.734
243 1HD1 ILE 35 HD13 ILE 35 -15.941 -12.258 -12.258
244 2HD1 ILE 35 HD11 ILE 35 -15.516 -11.749 -11.749
245 3HD1 ILE 35 HD12 ILE 35 -16.887 -10.987 -10.987
246 H TYR 36 HN TYR 36 -19.318 -11.949 -11.949
247 HA TYR 36 HA TYR 36 -20.778 -14.356 -14.356
248 1HB TYR 36 HB2 TYR 36 -18.456 -13.266 -13.266
249 2HB TYR 36 HB3 TYR 36 -19.570 -12.229 -12.229
250 HD1 TYR 36 HD2 TYR 36 -21.064 -13.156 -13.156
251 HD2 TYR 36 HD1 TYR 36 -18.210 -15.616 -15.616
252 HE1 TYR 36 HE2 TYR 36 -21.320 -14.943 -14.943
253 HE2 TYR 36 HE1 TYR 36 -18.475 -17.393 -17.393
254 HH TYR 36 HH TYR 36 -20.423 -16.780 -16.780
255 H GLY 37 HN GLY 37 -21.346 -11.246 -11.246
256 1HA GLY 37 HA1 GLY 37 -23.383 -10.184 -10.184
257 2HA GLY 37 HA2 GLY 37 -23.908 -11.163 -11.163
258 H ASN 38 HN ASN 38 -20.913 -10.326 -10.326
259 HA ASN 38 HA ASN 38 -21.954 -8.310 -8.310
260 1HB ASN 38 HB2 ASN 38 -19.461 -8.258 -8.258
261 2HB ASN 38 HB3 ASN 38 -20.345 -9.751 -9.751
262 1HD2 ASN 38 HD22 ASN 38 -17.060 -10.627 -10.627
263 2HD2 ASN 38 HD21 ASN 38 -17.689 -9.876 -9.876
264 HA PRO 39 HA PRO 39 -20.463 -4.892 -4.892
265 1HB PRO 39 HB2 PRO 39 -20.125 -2.994 -2.994
266 2HB PRO 39 HB3 PRO 39 -21.686 -3.394 -3.394
267 1HG PRO 39 HG2 PRO 39 -20.583 -4.123 -4.123
268 2HG PRO 39 HG3 PRO 39 -22.251 -4.137 -4.137
269 1HD PRO 39 HD2 PRO 39 -20.531 -6.409 -6.409
270 2HD PRO 39 HD3 PRO 39 -22.160 -6.411 -6.411
271 H ILE 40 HN ILE 40 -18.643 -4.374 -4.374
272 HA ILE 40 HA ILE 40 -16.235 -5.356 -5.356
273 HB ILE 40 HB ILE 40 -16.870 -3.589 -3.589
274 1HG1 ILE 40 HG12 ILE 40 -16.166 -6.530 -6.530
275 2HG1 ILE 40 HG13 ILE 40 -17.745 -5.867 -5.867
276 1HG2 ILE 40 HG21 ILE 40 -14.220 -4.650 -4.650
277 2HG2 ILE 40 HG22 ILE 40 -14.514 -4.259 -4.259
278 3HG2 ILE 40 HG23 ILE 40 -14.659 -2.991 -2.991
279 1HD1 ILE 40 HD12 ILE 40 -16.083 -4.604 -4.604
280 2HD1 ILE 40 HD13 ILE 40 -15.416 -6.250 -6.250
281 3HD1 ILE 40 HD11 ILE 40 -17.127 -6.009 -6.009
282 H LYS 41 HN LYS 41 -16.752 -1.942 -1.942
283 HA LYS 41 HA LYS 41 -16.241 -0.013 -0.013
284 1HB LYS 41 HB2 LYS 41 -17.619 -0.749 -0.749
285 2HB LYS 41 HB3 LYS 41 -16.250 -1.572 -1.572
286 1HG LYS 41 HG2 LYS 41 -16.560 0.637 0.637
287 2HG LYS 41 HG3 LYS 41 -15.030 0.586 0.586
288 1HD LYS 41 HD2 LYS 41 -16.037 2.689 2.689
289 2HD LYS 41 HD3 LYS 41 -16.202 1.669 1.669
290 1HE LYS 41 HE2 LYS 41 -18.538 1.153 1.153
291 2HE LYS 41 HE3 LYS 41 -18.393 1.991 1.991
292 1HZ LYS 41 HZ2 LYS 41 -17.599 3.746 3.746
293 2HZ LYS 41 HZ3 LYS 41 -18.989 3.062 3.062
294 3HZ LYS 41 HZ1 LYS 41 -18.942 3.826 3.826
295 H ARG 42 HN ARG 42 -14.340 1.051 1.051
296 HA ARG 42 HA ARG 42 -11.980 -0.347 -0.347
297 1HB ARG 42 HB2 ARG 42 -11.075 1.089 1.089
298 2HB ARG 42 HB3 ARG 42 -11.353 -0.640 -0.640
299 1HG ARG 42 HG2 ARG 42 -13.805 -0.149 -0.149
300 2HG ARG 42 HG3 ARG 42 -13.320 1.510 1.510
301 1HD ARG 42 HD2 ARG 42 -11.413 0.282 0.282
302 2HD ARG 42 HD3 ARG 42 -12.640 -0.967 -0.967
303 HE ARG 42 HE ARG 42 -13.722 1.693 1.693
304 1HH1 ARG 42 HH22 ARG 42 -12.072 -1.067 -1.067
305 2HH1 ARG 42 HH21 ARG 42 -12.613 -0.719 -0.719
306 1HH2 ARG 42 HH12 ARG 42 -14.436 2.152 2.152
307 2HH2 ARG 42 HH11 ARG 42 -13.966 1.124 1.124
308 H ILE 43 HN ILE 43 -12.602 1.278 1.278
309 HA ILE 43 HA ILE 43 -12.688 3.943 3.943
310 HB ILE 43 HB ILE 43 -11.907 1.977 1.977
311 1HG1 ILE 43 HG12 ILE 43 -12.998 3.780 3.780
312 2HG1 ILE 43 HG13 ILE 43 -13.333 4.637 4.637
313 1HG2 ILE 43 HG21 ILE 43 -10.500 4.656 4.656
314 2HG2 ILE 43 HG22 ILE 43 -10.677 3.544 3.544
315 3HG2 ILE 43 HG23 ILE 43 -9.755 3.040 3.040
316 1HD1 ILE 43 HD12 ILE 43 -14.060 1.866 1.866
317 2HD1 ILE 43 HD13 ILE 43 -14.793 2.452 2.452
318 3HD1 ILE 43 HD11 ILE 43 -15.113 3.301 3.301
319 H GLN 44 HN GLN 44 -11.302 5.709 5.709
320 HA GLN 44 HA GLN 44 -8.941 5.071 5.071
321 1HB GLN 44 HB2 GLN 44 -10.303 7.693 7.693
322 2HB GLN 44 HB3 GLN 44 -8.800 7.635 7.635
323 1HG GLN 44 HG2 GLN 44 -11.542 6.649 6.649
324 2HG GLN 44 HG3 GLN 44 -10.461 7.726 7.726
325 1HE2 GLN 44 HE22 GLN 44 -10.020 3.621 3.621
326 2HE2 GLN 44 HE21 GLN 44 -10.971 4.410 4.410
327 H TYR 45 HN TYR 45 -7.022 6.876 6.876
328 HA TYR 45 HA TYR 45 -6.593 6.788 6.788
329 1HB TYR 45 HB2 TYR 45 -5.175 5.443 5.443
330 2HB TYR 45 HB3 TYR 45 -4.095 6.307 6.307
331 HD1 TYR 45 HD2 TYR 45 -5.784 5.802 5.802
332 HD2 TYR 45 HD1 TYR 45 -4.383 3.236 3.236
333 HE1 TYR 45 HE2 TYR 45 -5.808 3.828 3.828
334 HE2 TYR 45 HE1 TYR 45 -4.410 1.271 1.271
335 HH TYR 45 HH TYR 45 -5.046 1.751 1.751
336 H GLU 46 HN GLU 46 -7.329 9.121 9.121
337 HA GLU 46 HA GLU 46 -5.647 10.727 10.727
338 1HB GLU 46 HB2 GLU 46 -8.091 11.082 11.082
339 2HB GLU 46 HB3 GLU 46 -7.202 11.857 11.857
340 1HG GLU 46 HG2 GLU 46 -6.130 13.405 13.405
341 2HG GLU 46 HG3 GLU 46 -6.868 12.574 12.574
342 H ILE 47 HN ILE 47 -3.570 9.691 9.691
343 HA ILE 47 HA ILE 47 -2.788 10.321 10.321
344 HB ILE 47 HB ILE 47 -0.548 9.696 9.696
345 1HG1 ILE 47 HG12 ILE 47 -1.839 9.969 9.969
346 2HG1 ILE 47 HG13 ILE 47 -0.257 10.493 10.493
347 1HG2 ILE 47 HG21 ILE 47 -2.911 8.091 8.091
348 2HG2 ILE 47 HG22 ILE 47 -1.818 7.481 7.481
349 3HG2 ILE 47 HG23 ILE 47 -1.240 7.637 7.637
350 1HD1 ILE 47 HD13 ILE 47 -0.017 7.777 7.777
351 2HD1 ILE 47 HD11 ILE 47 -1.119 7.845 7.845
352 3HD1 ILE 47 HD12 ILE 47 0.472 8.638 8.638
353 H LYS 48 HN LYS 48 -0.369 11.583 11.583
354 HA LYS 48 HA LYS 48 -1.015 14.210 14.210
355 1HB LYS 48 HB2 LYS 48 -1.184 13.771 13.771
356 2HB LYS 48 HB3 LYS 48 0.556 13.955 13.955
357 1HG LYS 48 HG2 LYS 48 0.400 16.182 16.182
358 2HG LYS 48 HG3 LYS 48 -1.294 15.984 15.984
359 1HD LYS 48 HD2 LYS 48 -0.640 17.339 17.339
360 2HD LYS 48 HD3 LYS 48 -2.010 16.248 16.248
361 1HE LYS 48 HE2 LYS 48 -0.755 14.545 14.545
362 2HE LYS 48 HE3 LYS 48 0.780 15.294 15.294
363 1HZ LYS 48 HZ2 LYS 48 -1.255 16.522 16.522
364 2HZ LYS 48 HZ3 LYS 48 0.054 15.713 15.713
365 3HZ LYS 48 HZ1 LYS 48 0.243 17.103 17.103
366 H GLN 49 HN GLN 49 0.971 11.512 11.512
367 HA GLN 49 HA GLN 49 2.929 11.094 11.094
368 1HB GLN 49 HB2 GLN 49 2.499 11.981 11.981
369 2HB GLN 49 HB3 GLN 49 2.079 13.559 13.559
370 1HG GLN 49 HG2 GLN 49 4.195 13.645 13.645
371 2HG GLN 49 HG3 GLN 49 4.461 14.097 14.097
372 1HE2 GLN 49 HE22 GLN 49 5.537 10.242 10.242
373 2HE2 GLN 49 HE21 GLN 49 4.050 10.960 10.960
374 H ILE 50 HN ILE 50 4.682 10.960 10.960
375 HA ILE 50 HA ILE 50 5.806 13.502 13.502
376 HB ILE 50 HB ILE 50 5.649 12.878 12.878
377 1HG1 ILE 50 HG12 ILE 50 6.893 10.314 10.314
378 2HG1 ILE 50 HG13 ILE 50 7.573 11.561 11.561
379 1HG2 ILE 50 HG22 ILE 50 3.458 12.018 12.018
380 2HG2 ILE 50 HG23 ILE 50 4.146 10.390 10.390
381 3HG2 ILE 50 HG21 ILE 50 3.903 11.444 11.444
382 1HD1 ILE 50 HD12 ILE 50 5.542 10.876 10.876
383 2HD1 ILE 50 HD13 ILE 50 5.660 9.348 9.348
384 3HD1 ILE 50 HD11 ILE 50 7.068 9.959 9.959
385 H LYS 51 HN LYS 51 6.242 10.241 10.241
386 HA LYS 51 HA LYS 51 8.915 11.005 11.005
387 1HB LYS 51 HB2 LYS 51 8.566 9.462 9.462
388 2HB LYS 51 HB3 LYS 51 9.016 8.313 8.313
389 1HG LYS 51 HG2 LYS 51 10.731 10.478 10.478
390 2HG LYS 51 HG3 LYS 51 10.632 10.442 10.442
391 1HD LYS 51 HD2 LYS 51 11.594 8.311 8.311
392 2HD LYS 51 HD3 LYS 51 11.027 7.815 7.815
393 1HE LYS 51 HE2 LYS 51 12.740 9.052 9.052
394 2HE LYS 51 HE3 LYS 51 13.100 10.022 10.022
395 1HZ LYS 51 HZ2 LYS 51 13.471 7.427 7.427
396 2HZ LYS 51 HZ3 LYS 51 14.143 7.521 7.521
397 3HZ LYS 51 HZ1 LYS 51 14.633 8.533 8.533
398 H MET 52 HN MET 52 9.797 9.435 9.435
399 HA MET 52 HA MET 52 7.762 7.741 7.741
400 1HB MET 52 HB2 MET 52 8.292 8.804 8.804
401 2HB MET 52 HB3 MET 52 7.335 9.794 9.794
402 1HG MET 52 HG2 MET 52 9.349 11.058 11.058
403 2HG MET 52 HG3 MET 52 10.373 10.010 10.010
404 1HE MET 52 HE2 MET 52 11.169 12.293 12.293
405 2HE MET 52 HE3 MET 52 11.304 11.682 11.682
406 3HE MET 52 HE1 MET 52 10.563 13.271 13.271
407 H PHE 53 HN PHE 53 9.463 6.259 6.259
408 HA PHE 53 HA PHE 53 12.061 6.101 6.101
409 1HB PHE 53 HB2 PHE 53 9.851 3.990 3.990
410 2HB PHE 53 HB3 PHE 53 11.533 3.519 3.519
411 HD1 PHE 53 HD2 PHE 53 13.090 5.054 5.054
412 HD2 PHE 53 HD1 PHE 53 9.041 3.932 3.932
413 HE1 PHE 53 HE2 PHE 53 13.382 5.325 5.325
414 HE2 PHE 53 HE1 PHE 53 9.333 4.202 4.202
415 HZ PHE 53 HZ PHE 53 11.500 4.895 4.895
416 H LYS 54 HN LYS 54 9.657 3.965 3.965
417 HA LYS 54 HA LYS 54 11.121 4.521 4.521
418 1HB LYS 54 HB2 LYS 54 11.867 2.373 2.373
419 2HB LYS 54 HB3 LYS 54 10.254 1.862 1.862
420 1HG LYS 54 HG2 LYS 54 10.768 0.846 0.846
421 2HG LYS 54 HG3 LYS 54 9.545 2.071 2.071
422 1HD LYS 54 HD2 LYS 54 11.694 3.638 3.638
423 2HD LYS 54 HD3 LYS 54 12.468 2.105 2.105
424 1HE LYS 54 HE2 LYS 54 11.197 1.726 1.726
425 2HE LYS 54 HE3 LYS 54 9.796 2.574 2.574
426 1HZ LYS 54 HZ1 LYS 54 12.237 4.051 4.051
427 2HZ LYS 54 HZ2 LYS 54 11.194 3.665 3.665
428 3HZ LYS 54 HZ3 LYS 54 10.698 4.595 4.595
429 H GLY 55 HN GLY 55 9.797 4.149 4.149
430 1HA GLY 55 HA1 GLY 55 7.439 3.624 3.624
431 2HA GLY 55 HA2 GLY 55 6.961 4.776 4.776
432 HA PRO 56 HA PRO 56 7.319 7.353 7.353
433 1HB PRO 56 HB2 PRO 56 5.298 9.076 9.076
434 2HB PRO 56 HB3 PRO 56 5.050 7.619 7.619
435 1HG PRO 56 HG2 PRO 56 4.361 8.139 8.139
436 2HG PRO 56 HG3 PRO 56 3.757 6.885 6.885
437 1HD PRO 56 HD2 PRO 56 5.705 6.578 6.578
438 2HD PRO 56 HD3 PRO 56 5.187 5.351 5.351
439 H GLU 57 HN GLU 57 7.103 10.020 10.020
440 HA GLU 57 HA GLU 57 9.184 10.691 10.691
441 1HB GLU 57 HB2 GLU 57 8.395 12.553 12.553
442 2HB GLU 57 HB3 GLU 57 9.981 12.241 12.241
443 1HG GLU 57 HG2 GLU 57 9.844 9.891 9.891
444 2HG GLU 57 HG3 GLU 57 8.396 10.421 10.421
445 H LYS 58 HN LYS 58 5.881 11.505 11.505
446 HA LYS 58 HA LYS 58 5.728 13.902 13.902
447 1HB LYS 58 HB2 LYS 58 4.358 13.629 13.629
448 2HB LYS 58 HB3 LYS 58 3.636 12.163 12.163
449 1HG LYS 58 HG2 LYS 58 1.998 13.489 13.489
450 2HG LYS 58 HG3 LYS 58 3.168 13.997 13.997
451 1HD LYS 58 HD2 LYS 58 3.000 15.355 15.355
452 2HD LYS 58 HD3 LYS 58 1.970 15.848 15.848
453 1HE LYS 58 HE2 LYS 58 4.345 15.865 15.865
454 2HE LYS 58 HE3 LYS 58 4.948 16.144 16.144
455 1HZ LYS 58 HZ1 LYS 58 2.800 17.788 17.788
456 2HZ LYS 58 HZ2 LYS 58 3.533 17.903 17.903
457 3HZ LYS 58 HZ3 LYS 58 4.369 18.232 18.232
458 H ASP 59 HN ASP 59 3.513 11.093 11.093
459 HA ASP 59 HA ASP 59 4.238 9.992 9.992
460 1HB ASP 59 HB2 ASP 59 4.573 11.888 11.888
461 2HB ASP 59 HB3 ASP 59 3.266 12.781 12.781
462 H ILE 60 HN ILE 60 2.252 9.151 9.151
463 HA ILE 60 HA ILE 60 -0.160 9.309 9.309
464 HB ILE 60 HB ILE 60 0.472 6.919 6.919
465 1HG1 ILE 60 HG12 ILE 60 2.482 7.610 7.610
466 2HG1 ILE 60 HG13 ILE 60 1.926 5.947 5.947
467 1HG2 ILE 60 HG21 ILE 60 -1.504 7.701 7.701
468 2HG2 ILE 60 HG22 ILE 60 -0.634 6.255 6.255
469 3HG2 ILE 60 HG23 ILE 60 -1.433 6.248 6.248
470 1HD1 ILE 60 HD11 ILE 60 0.476 7.604 7.604
471 2HD1 ILE 60 HD12 ILE 60 2.232 7.576 7.576
472 3HD1 ILE 60 HD13 ILE 60 1.314 6.051 6.051
473 H GLU 61 HN GLU 61 -0.653 11.238 11.238
474 HA GLU 61 HA GLU 61 -0.959 10.920 10.920
475 1HB GLU 61 HB2 GLU 61 -1.429 12.984 12.984
476 2HB GLU 61 HB3 GLU 61 -2.715 12.975 12.975
477 1HG GLU 61 HG2 GLU 61 -1.347 13.739 13.739
478 2HG GLU 61 HG3 GLU 61 -0.027 12.684 12.684
479 H PHE 62 HN PHE 62 -2.676 9.552 9.552
480 HA PHE 62 HA PHE 62 -4.980 9.118 9.118
481 1HB PHE 62 HB2 PHE 62 -4.717 10.156 10.156
482 2HB PHE 62 HB3 PHE 62 -5.943 8.920 8.920
483 HD1 PHE 62 HD1 PHE 62 -7.700 9.300 9.300
484 HD2 PHE 62 HD2 PHE 62 -5.196 12.375 12.375
485 HE1 PHE 62 HE1 PHE 62 -9.305 11.030 11.030
486 HE2 PHE 62 HE2 PHE 62 -6.801 14.104 14.104
487 HZ PHE 62 HZ PHE 62 -8.837 13.411 13.411
488 H ILE 63 HN ILE 63 -4.230 7.058 7.058
489 HA ILE 63 HA ILE 63 -3.667 5.153 5.153
490 HB ILE 63 HB ILE 63 -3.450 4.569 4.569
491 1HG1 ILE 63 HG12 ILE 63 -2.248 6.819 6.819
492 2HG1 ILE 63 HG13 ILE 63 -1.737 5.946 5.946
493 1HG2 ILE 63 HG23 ILE 63 -2.189 3.558 3.558
494 2HG2 ILE 63 HG21 ILE 63 -1.422 3.291 3.291
495 3HG2 ILE 63 HG22 ILE 63 -3.056 2.659 2.659
496 1HD1 ILE 63 HD12 ILE 63 -0.773 5.282 5.282
497 2HD1 ILE 63 HD13 ILE 63 0.114 6.317 6.317
498 3HD1 ILE 63 HD11 ILE 63 -0.159 4.599 4.599
499 H TYR 64 HN TYR 64 -4.602 2.854 2.854
500 HA TYR 64 HA TYR 64 -7.399 3.174 3.174
501 1HB TYR 64 HB2 TYR 64 -5.994 1.743 1.743
502 2HB TYR 64 HB3 TYR 64 -7.600 1.248 1.248
503 HD1 TYR 64 HD1 TYR 64 -5.880 4.533 4.533
504 HD2 TYR 64 HD2 TYR 64 -9.284 2.047 2.047
505 HE1 TYR 64 HE1 TYR 64 -6.893 6.341 6.341
506 HE2 TYR 64 HE2 TYR 64 -10.287 3.864 3.864
507 HH TYR 64 HH TYR 64 -8.996 7.038 7.038
508 H THR 65 HN THR 65 -8.357 1.421 1.421
509 HA THR 65 HA THR 65 -6.945 -1.026 -1.026
510 HB THR 65 HB THR 65 -5.595 0.481 0.481
511 HG1 THR 65 HG1 THR 65 -6.224 -1.773 -1.773
512 1HG2 THR 65 HG23 THR 65 -8.355 1.158 1.158
513 2HG2 THR 65 HG21 THR 65 -7.005 1.080 1.080
514 3HG2 THR 65 HG22 THR 65 -6.944 2.223 2.223
515 H ALA 66 HN ALA 66 -8.125 -1.915 -1.915
516 HA ALA 66 HA ALA 66 -10.920 -1.916 -1.916
517 1HB ALA 66 HB3 ALA 66 -9.036 -3.901 -3.901
518 2HB ALA 66 HB1 ALA 66 -10.406 -3.839 -3.839
519 3HB ALA 66 HB2 ALA 66 -10.696 -4.129 -4.129
520 HA PRO 67 HA PRO 67 -12.123 0.217 0.217
521 1HB PRO 67 HB2 PRO 67 -14.677 -0.681 -0.681
522 2HB PRO 67 HB3 PRO 67 -14.253 0.540 0.540
523 1HG PRO 67 HG2 PRO 67 -14.927 -2.306 -2.306
524 2HG PRO 67 HG3 PRO 67 -14.919 -0.990 -0.990
525 1HD PRO 67 HD2 PRO 67 -12.936 -3.043 -3.043
526 2HD PRO 67 HD3 PRO 67 -12.872 -1.664 -1.664
527 H SER 68 HN SER 68 -13.862 -0.456 -0.456
528 HA SER 68 HA SER 68 -13.767 -1.350 -1.350
529 1HB SER 68 HB2 SER 68 -13.425 -3.612 -3.612
530 2HB SER 68 HB3 SER 68 -12.731 -3.949 -3.949
531 HG SER 68 HG SER 68 -15.444 -3.079 -3.079
532 H SER 69 HN SER 69 -12.045 -3.121 -3.121
533 HA SER 69 HA SER 69 -9.936 -1.486 -1.486
534 1HB SER 69 HB2 SER 69 -10.398 -3.015 -3.015
535 2HB SER 69 HB3 SER 69 -10.657 -4.341 -4.341
536 HG SER 69 HG SER 69 -8.430 -4.637 -4.637
537 H ALA 70 HN ALA 70 -10.238 -4.176 -4.176
538 HA ALA 70 HA ALA 70 -8.564 -3.478 -3.478
539 1HB ALA 70 HB2 ALA 70 -6.953 -4.172 -4.172
540 2HB ALA 70 HB3 ALA 70 -6.345 -4.720 -4.720
541 3HB ALA 70 HB1 ALA 70 -6.626 -2.987 -2.987
542 H VAL 71 HN VAL 71 -9.666 -4.907 -4.907
543 HA VAL 71 HA VAL 71 -9.621 -7.718 -7.718
544 HB VAL 71 HB VAL 71 -11.658 -7.972 -7.972
545 1HG1 VAL 71 HG13 VAL 71 -11.564 -5.819 -5.819
546 2HG1 VAL 71 HG11 VAL 71 -12.005 -4.991 -4.991
547 3HG1 VAL 71 HG12 VAL 71 -13.058 -6.267 -6.267
548 1HG2 VAL 71 HG22 VAL 71 -10.986 -5.828 -5.828
549 2HG2 VAL 71 HG23 VAL 71 -10.947 -7.590 -7.590
550 3HG2 VAL 71 HG21 VAL 71 -12.497 -6.769 -6.769
551 H CYS 72 HN CYS 72 -8.879 -5.393 -5.393
552 HA CYS 72 HA CYS 72 -7.219 -7.495 -7.495
553 1HB CYS 72 HB2 CYS 72 -9.264 -5.783 -5.783
554 2HB CYS 72 HB3 CYS 72 -7.820 -6.259 -6.259
555 H GLY 73 HN GLY 73 -6.766 -5.221 -5.221
556 1HA GLY 73 HA1 GLY 73 -4.505 -4.048 -4.048
557 2HA GLY 73 HA2 GLY 73 -5.787 -2.904 -2.904
558 H VAL 74 HN VAL 74 -4.267 -1.812 -1.812
559 HA VAL 74 HA VAL 74 -3.987 -3.275 -3.275
560 HB VAL 74 HB VAL 74 -2.235 -1.156 -1.156
561 1HG1 VAL 74 HG12 VAL 74 -2.109 -2.427 -2.427
562 2HG1 VAL 74 HG13 VAL 74 -0.770 -1.520 -1.520
563 3HG1 VAL 74 HG11 VAL 74 -2.312 -0.703 -0.703
564 1HG2 VAL 74 HG23 VAL 74 -2.166 -3.698 -3.698
565 2HG2 VAL 74 HG21 VAL 74 -0.658 -2.795 -2.795
566 3HG2 VAL 74 HG22 VAL 74 -1.298 -3.875 -3.875
567 H SER 75 HN SER 75 -5.829 -1.026 -1.026
568 HA SER 75 HA SER 75 -6.817 0.885 0.885
569 1HB SER 75 HB2 SER 75 -7.852 -1.334 -1.334
570 2HB SER 75 HB3 SER 75 -7.671 -0.215 -0.215
571 HG SER 75 HG SER 75 -9.307 0.960 0.960
572 H LEU 76 HN LEU 76 -5.008 2.341 2.341
573 HA LEU 76 HA LEU 76 -4.231 2.668 2.668
574 1HB LEU 76 HB2 LEU 76 -2.789 4.107 4.107
575 2HB LEU 76 HB3 LEU 76 -2.190 3.357 3.357
576 HG LEU 76 HG LEU 76 -2.988 1.167 1.167
577 1HD1 LEU 76 HD13 LEU 76 -2.974 3.244 3.244
578 2HD1 LEU 76 HD11 LEU 76 -1.426 2.402 2.402
579 3HD1 LEU 76 HD12 LEU 76 -2.956 1.496 1.496
580 1HD2 LEU 76 HD21 LEU 76 -0.576 2.326 2.326
581 2HD2 LEU 76 HD22 LEU 76 -0.936 0.621 0.621
582 3HD2 LEU 76 HD23 LEU 76 -0.262 1.677 1.677
583 H ASP 77 HN ASP 77 -4.742 4.510 4.510
584 HA ASP 77 HA ASP 77 -6.127 6.540 6.540
585 1HB ASP 77 HB2 ASP 77 -7.138 6.986 6.986
586 2HB ASP 77 HB3 ASP 77 -7.868 5.845 5.845
587 H VAL 78 HN VAL 78 -3.288 5.809 5.809
588 HA VAL 78 HA VAL 78 -1.594 7.027 7.027
589 HB VAL 78 HB VAL 78 -3.391 9.072 9.072
590 1HG1 VAL 78 HG11 VAL 78 -1.532 9.691 9.691
591 2HG1 VAL 78 HG12 VAL 78 -1.660 10.848 10.848
592 3HG1 VAL 78 HG13 VAL 78 -3.109 10.405 10.405
593 1HG2 VAL 78 HG23 VAL 78 -1.044 7.783 7.783
594 2HG2 VAL 78 HG21 VAL 78 -1.765 9.199 9.199
595 3HG2 VAL 78 HG22 VAL 78 -0.502 9.423 9.423
596 H GLY 79 HN GLY 79 -4.705 8.476 8.476
597 1HA GLY 79 HA1 GLY 79 -3.801 9.213 9.213
598 2HA GLY 79 HA2 GLY 79 -5.455 8.829 8.829
599 H GLY 80 HN GLY 80 -4.045 6.050 6.050
600 1HA GLY 80 HA1 GLY 80 -4.182 4.867 4.867
601 2HA GLY 80 HA2 GLY 80 -4.822 4.104 4.104
602 H LYS 81 HN LYS 81 -2.349 5.384 5.384
603 HA LYS 81 HA LYS 81 -0.380 3.436 3.436
604 1HB LYS 81 HB2 LYS 81 -0.046 3.723 3.723
605 2HB LYS 81 HB3 LYS 81 -0.526 2.296 2.296
606 1HG LYS 81 HG2 LYS 81 -2.542 4.456 4.456
607 2HG LYS 81 HG3 LYS 81 -2.141 3.169 3.169
608 1HD LYS 81 HD2 LYS 81 -3.173 1.527 1.527
609 2HD LYS 81 HD3 LYS 81 -2.806 2.324 2.324
610 1HE LYS 81 HE2 LYS 81 -4.510 4.160 4.160
611 2HE LYS 81 HE3 LYS 81 -5.037 2.966 2.966
612 1HZ LYS 81 HZ1 LYS 81 -4.825 2.284 2.284
613 2HZ LYS 81 HZ2 LYS 81 -6.164 3.010 3.010
614 3HZ LYS 81 HZ3 LYS 81 -5.709 1.548 1.548
615 H LYS 82 HN LYS 82 -0.013 5.538 5.538
616 HA LYS 82 HA LYS 82 0.881 7.852 7.852
617 1HB LYS 82 HB2 LYS 82 3.416 7.449 7.449
618 2HB LYS 82 HB3 LYS 82 2.422 7.017 7.017
619 1HG LYS 82 HG2 LYS 82 2.460 4.727 4.727
620 2HG LYS 82 HG3 LYS 82 4.111 5.305 5.305
621 1HD LYS 82 HD2 LYS 82 4.330 4.454 4.454
622 2HD LYS 82 HD3 LYS 82 2.996 5.439 5.439
623 1HE LYS 82 HE2 LYS 82 1.566 3.664 3.664
624 2HE LYS 82 HE3 LYS 82 2.016 3.178 3.178
625 1HZ LYS 82 HZ3 LYS 82 4.099 2.297 2.297
626 2HZ LYS 82 HZ1 LYS 82 3.340 2.473 2.473
627 3HZ LYS 82 HZ2 LYS 82 2.721 1.475 1.475
628 H GLU 83 HN GLU 83 3.172 5.718 5.718
629 HA GLU 83 HA GLU 83 2.125 6.719 6.719
630 1HB GLU 83 HB2 GLU 83 5.098 7.009 7.009
631 2HB GLU 83 HB3 GLU 83 4.130 7.753 7.753
632 1HG GLU 83 HG2 GLU 83 4.353 9.556 9.556
633 2HG GLU 83 HG3 GLU 83 2.847 8.875 8.875
634 H TYR 84 HN TYR 84 3.031 5.520 5.520
635 HA TYR 84 HA TYR 84 4.444 3.070 3.070
636 1HB TYR 84 HB2 TYR 84 2.680 1.858 1.858
637 2HB TYR 84 HB3 TYR 84 2.018 2.539 2.539
638 HD1 TYR 84 HD2 TYR 84 2.644 3.648 3.648
639 HD2 TYR 84 HD1 TYR 84 -0.020 3.618 3.618
640 HE1 TYR 84 HE2 TYR 84 0.911 4.919 4.919
641 HE2 TYR 84 HE1 TYR 84 -1.744 4.889 4.889
642 HH TYR 84 HH TYR 84 -1.777 5.039 5.039
643 H LEU 85 HN LEU 85 5.524 2.046 2.046
644 HA LEU 85 HA LEU 85 6.256 3.975 3.975
645 1HB LEU 85 HB2 LEU 85 7.902 2.259 2.259
646 2HB LEU 85 HB3 LEU 85 8.016 2.768 2.768
647 HG LEU 85 HG LEU 85 8.209 0.234 0.234
648 1HD1 LEU 85 HD12 LEU 85 7.830 1.582 1.582
649 2HD1 LEU 85 HD13 LEU 85 6.480 0.423 0.423
650 3HD1 LEU 85 HD11 LEU 85 8.153 -0.162 -0.162
651 1HD2 LEU 85 HD22 LEU 85 5.209 0.570 0.570
652 2HD2 LEU 85 HD23 LEU 85 6.101 0.084 0.084
653 3HD2 LEU 85 HD21 LEU 85 6.082 -0.980 -0.980
654 H ILE 86 HN ILE 86 3.594 2.111 2.111
655 HA ILE 86 HA ILE 86 2.619 0.569 0.569
656 HB ILE 86 HB ILE 86 2.048 3.390 3.390
657 1HG1 ILE 86 HG12 ILE 86 -0.211 2.646 2.646
658 2HG1 ILE 86 HG13 ILE 86 0.163 1.065 1.065
659 1HG2 ILE 86 HG21 ILE 86 1.787 1.914 1.914
660 2HG2 ILE 86 HG22 ILE 86 0.530 3.082 3.082
661 3HG2 ILE 86 HG23 ILE 86 2.222 3.611 3.611
662 1HD1 ILE 86 HD12 ILE 86 1.919 1.591 1.591
663 2HD1 ILE 86 HD13 ILE 86 0.225 1.857 1.857
664 3HD1 ILE 86 HD11 ILE 86 0.722 0.290 0.290
665 H ALA 87 HN ALA 87 3.677 -0.807 -0.807
666 HA ALA 87 HA ALA 87 4.675 0.365 0.365
667 1HB ALA 87 HB2 ALA 87 6.135 -1.181 -1.181
668 2HB ALA 87 HB3 ALA 87 6.382 -1.731 -1.731
669 3HB ALA 87 HB1 ALA 87 6.749 -0.047 -0.047
670 H GLY 88 HN GLY 88 3.383 -0.426 -0.426
671 1HA GLY 88 HA1 GLY 88 2.843 -3.309 -3.309
672 2HA GLY 88 HA2 GLY 88 1.479 -2.208 -2.208
673 H LYS 89 HN LYS 89 1.671 -3.859 -3.859
674 HA LYS 89 HA LYS 89 3.284 -3.310 -3.310
675 1HB LYS 89 HB2 LYS 89 1.403 -4.025 -4.025
676 2HB LYS 89 HB3 LYS 89 1.659 -5.079 -5.079
677 1HG LYS 89 HG2 LYS 89 -0.140 -3.162 -3.162
678 2HG LYS 89 HG3 LYS 89 -0.677 -3.398 -3.398
679 1HD LYS 89 HD2 LYS 89 -1.242 -5.634 -5.634
680 2HD LYS 89 HD3 LYS 89 -0.012 -5.874 -5.874
681 1HE LYS 89 HE2 LYS 89 -1.532 -5.502 -5.502
682 2HE LYS 89 HE3 LYS 89 -1.858 -3.900 -3.900
683 1HZ LYS 89 HZ3 LYS 89 -3.051 -5.945 -5.945
684 2HZ LYS 89 HZ1 LYS 89 -3.572 -5.977 -5.977
685 3HZ LYS 89 HZ2 LYS 89 -3.730 -4.614 -4.614
686 H ALA 90 HN ALA 90 0.787 -1.234 -1.234
687 HA ALA 90 HA ALA 90 0.477 0.958 0.958
688 1HB ALA 90 HB3 ALA 90 2.996 0.581 0.581
689 2HB ALA 90 HB1 ALA 90 2.043 1.479 1.479
690 3HB ALA 90 HB2 ALA 90 2.241 2.131 2.131
691 H GLU 91 HN GLU 91 -0.338 2.539 2.539
692 HA GLU 91 HA GLU 91 -1.712 0.902 0.902
693 1HB GLU 91 HB2 GLU 91 -3.111 1.532 1.532
694 2HB GLU 91 HB3 GLU 91 -3.226 3.110 3.110
695 1HG GLU 91 HG2 GLU 91 -5.161 1.723 1.723
696 2HG GLU 91 HG3 GLU 91 -4.185 2.083 2.083
697 H GLY 92 HN GLY 92 0.532 3.140 3.140
698 1HA GLY 92 HA1 GLY 92 1.104 4.230 4.230
699 2HA GLY 92 HA2 GLY 92 -0.490 4.953 4.953
700 H ASP 93 HN ASP 93 -0.501 7.037 7.037
701 HA ASP 93 HA ASP 93 1.357 7.677 7.677
702 1HB ASP 93 HB2 ASP 93 1.223 8.791 8.791
703 2HB ASP 93 HB3 ASP 93 0.952 10.047 10.047
704 H GLY 94 HN GLY 94 0.481 9.214 9.214
705 1HA GLY 94 HA1 GLY 94 -1.061 10.564 10.564
706 2HA GLY 94 HA2 GLY 94 -1.977 10.602 10.602
707 H LYS 95 HN LYS 95 -1.424 7.359 7.359
708 HA LYS 95 HA LYS 95 -3.130 6.711 6.711
709 1HB LYS 95 HB2 LYS 95 -5.189 6.248 6.248
710 2HB LYS 95 HB3 LYS 95 -4.757 7.815 7.815
711 1HG LYS 95 HG2 LYS 95 -4.022 5.256 5.256
712 2HG LYS 95 HG3 LYS 95 -5.616 5.964 5.964
713 1HD LYS 95 HD2 LYS 95 -4.848 7.686 7.686
714 2HD LYS 95 HD3 LYS 95 -3.446 7.957 7.957
715 1HE LYS 95 HE2 LYS 95 -2.094 6.557 6.557
716 2HE LYS 95 HE3 LYS 95 -3.382 5.413 5.413
717 1HZ LYS 95 HZ1 LYS 95 -4.311 7.157 7.157
718 2HZ LYS 95 HZ2 LYS 95 -2.902 7.966 7.966
719 3HZ LYS 95 HZ3 LYS 95 -2.918 6.469 6.469
720 H MET 96 HN MET 96 -2.980 4.510 4.510
721 HA MET 96 HA MET 96 -1.937 2.836 2.836
722 1HB MET 96 HB2 MET 96 -0.328 1.956 1.956
723 2HB MET 96 HB3 MET 96 0.173 3.254 3.254
724 1HG MET 96 HG2 MET 96 0.171 4.771 4.771
725 2HG MET 96 HG3 MET 96 -1.444 4.312 4.312
726 1HE MET 96 HE2 MET 96 2.142 4.159 4.159
727 2HE MET 96 HE3 MET 96 1.726 4.735 4.735
728 3HE MET 96 HE1 MET 96 2.538 3.165 3.165
729 H HIS 97 HN HIS 97 -1.432 0.504 0.504
730 HA HIS 97 HA HIS 97 -3.960 0.073 0.073
731 1HB HIS 97 HB2 HIS 97 -2.899 -1.217 -1.217
732 2HB HIS 97 HB3 HIS 97 -3.233 -2.379 -2.379
733 HD1 HIS 97 HD1 HIS 97 -5.214 -3.282 -3.282
734 HD2 HIS 97 HD2 HIS 97 -5.681 0.643 0.643
735 HE1 HIS 97 HE1 HIS 97 -7.665 -2.678 -2.678
736 H ILE 98 HN ILE 98 -3.769 -0.802 -0.802
737 HA ILE 98 HA ILE 98 -1.342 -2.288 -2.288
738 HB ILE 98 HB ILE 98 -0.841 -1.012 -1.012
739 1HG1 ILE 98 HG12 ILE 98 -3.369 0.508 0.508
740 2HG1 ILE 98 HG13 ILE 98 -2.950 -0.341 -0.341
741 1HG2 ILE 98 HG22 ILE 98 -0.219 -0.232 -0.232
742 2HG2 ILE 98 HG23 ILE 98 -1.192 1.185 1.185
743 3HG2 ILE 98 HG21 ILE 98 0.230 0.725 0.725
744 1HD1 ILE 98 HD13 ILE 98 -1.003 1.771 1.771
745 2HD1 ILE 98 HD11 ILE 98 -2.637 2.373 2.373
746 3HD1 ILE 98 HD12 ILE 98 -1.745 1.420 1.420
747 H THR 99 HN THR 99 -1.734 -4.028 -4.028
748 HA THR 99 HA THR 99 -4.278 -4.067 -4.067
749 HB THR 99 HB THR 99 -4.315 -6.576 -6.576
750 HG1 THR 99 HG1 THR 99 -3.418 -6.360 -6.360
751 1HG2 THR 99 HG21 THR 99 -5.545 -4.104 -4.104
752 2HG2 THR 99 HG22 THR 99 -5.069 -5.003 -5.003
753 3HG2 THR 99 HG23 THR 99 -6.140 -5.761 -5.761
754 H LEU 100 HN LEU 100 -4.364 -5.956 -5.956
755 HA LEU 100 HA LEU 100 -2.116 -5.815 -5.815
756 1HB LEU 100 HB2 LEU 100 -3.354 -6.964 -6.964
757 2HB LEU 100 HB3 LEU 100 -4.637 -6.419 -6.419
758 HG LEU 100 HG LEU 100 -3.405 -9.077 -9.077
759 1HD1 LEU 100 HD13 LEU 100 -4.143 -8.544 -8.544
760 2HD1 LEU 100 HD11 LEU 100 -5.604 -9.289 -9.289
761 3HD1 LEU 100 HD12 LEU 100 -4.048 -10.150 -10.150
762 1HD2 LEU 100 HD22 LEU 100 -5.191 -8.025 -8.025
763 2HD2 LEU 100 HD23 LEU 100 -5.598 -9.635 -9.635
764 3HD2 LEU 100 HD21 LEU 100 -6.296 -8.179 -8.179
765 H CYS 101 HN CYS 101 -3.243 -8.328 -8.328
766 HA CYS 101 HA CYS 101 -1.199 -10.138 -10.138
767 1HB CYS 101 HB2 CYS 101 -3.460 -10.167 -10.167
768 2HB CYS 101 HB3 CYS 101 -2.214 -10.123 -10.123
769 H ASP 102 HN ASP 102 -1.239 -7.041 -7.041
770 HA ASP 102 HA ASP 102 1.058 -7.640 -7.640
771 1HB ASP 102 HB2 ASP 102 -1.015 -6.004 -6.004
772 2HB ASP 102 HB3 ASP 102 -0.038 -4.854 -4.854
773 H PHE 103 HN PHE 103 2.866 -5.759 -5.759
774 HA PHE 103 HA PHE 103 3.863 -5.846 -5.846
775 1HB PHE 103 HB2 PHE 103 5.384 -5.897 -5.897
776 2HB PHE 103 HB3 PHE 103 4.592 -4.529 -4.529
777 HD1 PHE 103 HD2 PHE 103 5.228 -4.275 -4.275
778 HD2 PHE 103 HD1 PHE 103 6.852 -3.546 -3.546
779 HE1 PHE 103 HE2 PHE 103 6.929 -2.730 -2.730
780 HE2 PHE 103 HE1 PHE 103 8.554 -2.001 -2.001
781 HZ PHE 103 HZ PHE 103 8.572 -1.611 -1.611
782 H ILE 104 HN ILE 104 3.257 -4.531 -4.531
783 HA ILE 104 HA ILE 104 3.208 -1.722 -1.722
784 HB ILE 104 HB ILE 104 0.761 -1.588 -1.588
785 1HG1 ILE 104 HG12 ILE 104 0.682 -4.259 -4.259
786 2HG1 ILE 104 HG13 ILE 104 0.454 -4.021 -4.021
787 1HG2 ILE 104 HG23 ILE 104 1.974 -1.123 -1.123
788 2HG2 ILE 104 HG21 ILE 104 0.721 -2.293 -2.293
789 3HG2 ILE 104 HG22 ILE 104 0.262 -0.785 -0.785
790 1HD1 ILE 104 HD12 ILE 104 -1.467 -2.420 -2.420
791 2HD1 ILE 104 HD13 ILE 104 -1.315 -3.003 -3.003
792 3HD1 ILE 104 HD11 ILE 104 -1.748 -4.138 -4.138
793 H VAL 105 HN VAL 105 3.757 -0.773 -0.773
794 HA VAL 105 HA VAL 105 3.048 -2.067 -2.067
795 HB VAL 105 HB VAL 105 5.758 -1.692 -1.692
796 1HG1 VAL 105 HG13 VAL 105 3.971 -3.590 -3.590
797 2HG1 VAL 105 HG11 VAL 105 4.804 -4.421 -4.421
798 3HG1 VAL 105 HG12 VAL 105 5.725 -3.880 -3.880
799 1HG2 VAL 105 HG22 VAL 105 5.302 -2.966 -2.966
800 2HG2 VAL 105 HG23 VAL 105 6.248 -1.504 -1.504
801 3HG2 VAL 105 HG21 VAL 105 6.815 -3.095 -3.095
802 HA PRO 106 HA PRO 106 3.216 2.059 2.059
803 1HB PRO 106 HB2 PRO 106 3.587 1.843 1.843
804 2HB PRO 106 HB3 PRO 106 2.032 1.611 1.611
805 1HG PRO 106 HG2 PRO 106 3.871 -0.420 -0.420
806 2HG PRO 106 HG3 PRO 106 2.168 -0.573 -0.573
807 1HD PRO 106 HD2 PRO 106 4.369 -1.580 -1.580
808 2HD PRO 106 HD3 PRO 106 2.673 -1.631 -1.631
809 H TRP 107 HN TRP 107 5.878 0.326 0.326
810 HA TRP 107 HA TRP 107 7.988 0.988 0.988
811 1HB TRP 107 HB2 TRP 107 6.931 3.269 3.269
812 2HB TRP 107 HB3 TRP 107 7.358 3.691 3.691
813 HD1 TRP 107 HD1 TRP 107 9.540 1.834 1.834
814 HE1 TRP 107 HE1 TRP 107 11.856 3.060 3.060
815 HE3 TRP 107 HE3 TRP 107 8.541 5.652 5.652
816 HZ2 TRP 107 HZ2 TRP 107 12.985 5.437 5.437
817 HZ3 TRP 107 HZ3 TRP 107 10.304 7.384 7.384
818 HH2 TRP 107 HH2 TRP 107 12.463 7.319 7.319
819 H ASP 108 HN ASP 108 6.618 2.499 2.499
820 HA ASP 108 HA ASP 108 8.908 1.917 1.917
821 1HB ASP 108 HB2 ASP 108 7.333 3.695 3.695
822 2HB ASP 108 HB3 ASP 108 6.034 2.533 2.533
823 H THR 109 HN THR 109 8.452 -0.488 -0.488
824 HA THR 109 HA THR 109 7.896 -2.233 -2.233
825 HB THR 109 HB THR 109 6.077 -3.461 -3.461
826 HG1 THR 109 HG1 THR 109 6.197 -2.495 -2.495
827 1HG2 THR 109 HG22 THR 109 5.540 -1.812 -1.812
828 2HG2 THR 109 HG23 THR 109 5.330 -0.569 -0.569
829 3HG2 THR 109 HG21 THR 109 4.266 -1.997 -1.997
830 H LEU 110 HN LEU 110 8.130 -2.135 -2.135
831 HA LEU 110 HA LEU 110 9.019 -4.000 -4.000
832 1HB LEU 110 HB2 LEU 110 11.285 -2.199 -2.199
833 2HB LEU 110 HB3 LEU 110 11.257 -3.221 -3.221
834 HG LEU 110 HG LEU 110 9.352 -0.913 -0.913
835 1HD1 LEU 110 HD12 LEU 110 11.854 -0.364 -0.364
836 2HD1 LEU 110 HD13 LEU 110 11.638 -0.883 -0.883
837 3HD1 LEU 110 HD11 LEU 110 10.683 0.474 0.474
838 1HD2 LEU 110 HD21 LEU 110 9.184 -3.081 -3.081
839 2HD2 LEU 110 HD22 LEU 110 8.220 -1.585 -1.585
840 3HD2 LEU 110 HD23 LEU 110 9.708 -1.688 -1.688
841 H SER 111 HN SER 111 12.077 -3.673 -3.673
842 HA SER 111 HA SER 111 12.237 -5.102 -5.102
843 1HB SER 111 HB2 SER 111 11.228 -6.964 -6.964
844 2HB SER 111 HB3 SER 111 12.427 -7.599 -7.599
845 HG SER 111 HG SER 111 10.280 -7.963 -7.963
846 H THR 112 HN THR 112 13.161 -5.341 -5.341
847 HA THR 112 HA THR 112 15.656 -4.447 -4.447
848 HB THR 112 HB THR 112 15.492 -7.103 -7.103
849 HG1 THR 112 HG1 THR 112 16.498 -5.522 -5.522
850 1HG2 THR 112 HG21 THR 112 17.598 -6.427 -6.427
851 2HG2 THR 112 HG22 THR 112 17.946 -7.503 -7.503
852 3HG2 THR 112 HG23 THR 112 16.697 -7.951 -7.951
853 H THR 113 HN THR 113 14.466 -7.731 -7.731
854 HA THR 113 HA THR 113 15.596 -7.704 -7.704
855 HB THR 113 HB THR 113 12.983 -8.937 -8.937
856 HG1 THR 113 HG1 THR 113 14.485 -10.628 -10.628
857 1HG2 THR 113 HG23 THR 113 13.780 -8.891 -8.891
858 2HG2 THR 113 HG21 THR 113 14.656 -10.319 -10.319
859 3HG2 THR 113 HG22 THR 113 12.883 -10.236 -10.236
860 H GLN 114 HN GLN 114 12.821 -5.884 -5.884
861 HA GLN 114 HA GLN 114 11.929 -5.322 -5.322
862 1HB GLN 114 HB2 GLN 114 11.044 -4.617 -4.617
863 2HB GLN 114 HB3 GLN 114 10.520 -3.571 -3.571
864 1HG GLN 114 HG2 GLN 114 8.804 -5.105 -5.105
865 2HG GLN 114 HG3 GLN 114 9.948 -5.952 -5.952
866 1HE2 GLN 114 HE22 GLN 114 11.020 -8.216 -8.216
867 2HE2 GLN 114 HE21 GLN 114 11.700 -7.132 -7.132
868 H LYS 115 HN LYS 115 14.017 -3.889 -3.889
869 HA LYS 115 HA LYS 115 14.055 -1.297 -1.297
870 1HB LYS 115 HB2 LYS 115 15.167 -2.636 -2.636
871 2HB LYS 115 HB3 LYS 115 16.313 -1.538 -1.538
872 1HG LYS 115 HG2 LYS 115 15.002 0.344 0.344
873 2HG LYS 115 HG3 LYS 115 13.494 -0.540 -0.540
874 1HD LYS 115 HD2 LYS 115 15.442 -0.530 -0.530
875 2HD LYS 115 HD3 LYS 115 13.803 0.090 0.090
876 1HE LYS 115 HE2 LYS 115 13.138 -2.390 -2.390
877 2HE LYS 115 HE3 LYS 115 14.726 -2.801 -2.801
878 1HZ LYS 115 HZ2 LYS 115 13.980 -1.401 -1.401
879 2HZ LYS 115 HZ3 LYS 115 12.467 -1.653 -1.653
880 3HZ LYS 115 HZ1 LYS 115 13.407 -2.923 -2.923
881 H LYS 116 HN LYS 116 16.094 -4.262 -4.262
882 HA LYS 116 HA LYS 116 18.161 -3.116 -3.116
883 1HB LYS 116 HB2 LYS 116 18.974 -5.309 -5.309
884 2HB LYS 116 HB3 LYS 116 18.175 -5.283 -5.283
885 1HG LYS 116 HG2 LYS 116 17.002 -7.097 -7.097
886 2HG LYS 116 HG3 LYS 116 16.097 -5.992 -5.992
887 1HD LYS 116 HD2 LYS 116 18.731 -6.881 -6.881
888 2HD LYS 116 HD3 LYS 116 17.518 -8.137 -8.137
889 1HE LYS 116 HE2 LYS 116 16.536 -7.378 -7.378
890 2HE LYS 116 HE3 LYS 116 16.151 -5.878 -5.878
891 1HZ LYS 116 HZ1 LYS 116 18.783 -6.356 -6.356
892 2HZ LYS 116 HZ2 LYS 116 17.547 -5.705 -5.705
893 3HZ LYS 116 HZ3 LYS 116 18.137 -4.930 -4.930
894 H SER 117 HN SER 117 14.886 -4.024 -4.024
895 HA SER 117 HA SER 117 15.531 -4.206 -4.206
896 1HB SER 117 HB2 SER 117 13.552 -5.350 -5.350
897 2HB SER 117 HB3 SER 117 12.673 -4.183 -4.183
898 HG SER 117 HG SER 117 13.856 -6.597 -6.597
899 H LEU 118 HN LEU 118 14.723 -1.845 -1.845
900 HA LEU 118 HA LEU 118 13.162 -0.153 -0.153
901 1HB LEU 118 HB2 LEU 118 14.114 -0.213 -0.213
902 2HB LEU 118 HB3 LEU 118 14.179 1.392 1.392
903 HG LEU 118 HG LEU 118 11.645 0.011 0.011
904 1HD1 LEU 118 HD12 LEU 118 12.278 -0.912 -0.912
905 2HD1 LEU 118 HD13 LEU 118 12.200 0.756 0.756
906 3HD1 LEU 118 HD11 LEU 118 10.745 -0.009 -0.009
907 1HD2 LEU 118 HD23 LEU 118 12.630 2.638 2.638
908 2HD2 LEU 118 HD21 LEU 118 10.966 2.115 2.115
909 3HD2 LEU 118 HD22 LEU 118 11.449 2.468 2.468
910 H ASN 119 HN ASN 119 16.564 -0.836 -0.836
911 HA ASN 119 HA ASN 119 17.487 1.666 1.666
912 1HB ASN 119 HB2 ASN 119 18.884 -1.063 -1.063
913 2HB ASN 119 HB3 ASN 119 19.687 0.488 0.488
914 1HD2 ASN 119 HD22 ASN 119 19.068 -1.131 -1.131
915 2HD2 ASN 119 HD21 ASN 119 18.998 -1.938 -1.938
916 H HIS 120 HN HIS 120 16.689 -1.518 -1.518
917 HA HIS 120 HA HIS 120 17.823 -0.990 -0.990
918 1HB HIS 120 HB2 HIS 120 16.721 -2.966 -2.966
919 2HB HIS 120 HB3 HIS 120 17.252 -3.238 -3.238
920 HD1 HIS 120 HD1 HIS 120 14.042 -1.502 -1.502
921 HD2 HIS 120 HD2 HIS 120 15.287 -4.861 -4.861
922 HE1 HIS 120 HE1 HIS 120 11.923 -2.575 -2.575
923 H ARG 121 HN ARG 121 16.904 -0.213 -0.213
924 HA ARG 121 HA ARG 121 15.137 1.848 1.848
925 1HB ARG 121 HB2 ARG 121 16.484 0.433 0.433
926 2HB ARG 121 HB3 ARG 121 14.887 0.956 0.956
927 1HG ARG 121 HG2 ARG 121 16.965 2.776 2.776
928 2HG ARG 121 HG3 ARG 121 16.689 2.676 2.676
929 1HD ARG 121 HD2 ARG 121 14.126 3.126 3.126
930 2HD ARG 121 HD3 ARG 121 14.960 3.899 3.899
931 HE ARG 121 HE ARG 121 14.869 4.824 4.824
932 1HH1 ARG 121 HH21 ARG 121 17.480 6.441 6.441
933 2HH1 ARG 121 HH22 ARG 121 16.709 4.938 4.938
934 1HH2 ARG 121 HH12 ARG 121 15.887 6.808 6.808
935 2HH2 ARG 121 HH11 ARG 121 17.010 7.512 7.512
936 H TYR 122 HN TYR 122 14.477 -1.202 -1.202
937 HA TYR 122 HA TYR 122 11.927 -1.511 -1.511
938 1HB TYR 122 HB2 TYR 122 11.098 -0.016 -0.016
939 2HB TYR 122 HB3 TYR 122 12.423 -0.355 -0.355
940 HD1 TYR 122 HD2 TYR 122 9.947 -2.685 -2.685
941 HD2 TYR 122 HD1 TYR 122 11.457 -0.966 -0.966
942 HE1 TYR 122 HE2 TYR 122 8.436 -4.208 -4.208
943 HE2 TYR 122 HE1 TYR 122 9.941 -2.494 -2.494
944 HH TYR 122 HH TYR 122 7.366 -3.995 -3.995
945 H GLN 123 HN GLN 123 12.828 -3.559 -3.559
946 HA GLN 123 HA GLN 123 13.123 -5.700 -5.700
947 1HB GLN 123 HB2 GLN 123 11.023 -5.761 -5.761
948 2HB GLN 123 HB3 GLN 123 11.846 -5.324 -5.324
949 1HG GLN 123 HG2 GLN 123 13.228 -7.607 -7.607
950 2HG GLN 123 HG3 GLN 123 11.521 -7.958 -7.958
951 1HE2 GLN 123 HE22 GLN 123 13.246 -8.481 -8.481
952 2HE2 GLN 123 HE21 GLN 123 13.986 -8.463 -8.463
953 H MET 124 HN MET 124 15.451 -4.662 -4.662
954 HA MET 124 HA MET 124 16.798 -4.774 -4.774
955 1HB MET 124 HB2 MET 124 17.494 -4.437 -4.437
956 2HB MET 124 HB3 MET 124 18.807 -4.878 -4.878
957 1HG MET 124 HG2 MET 124 17.082 -2.695 -2.695
958 2HG MET 124 HG3 MET 124 17.907 -2.284 -2.284
959 1HE MET 124 HE3 MET 124 17.917 -3.554 -3.554
960 2HE MET 124 HE1 MET 124 19.340 -2.804 -2.804
961 3HE MET 124 HE2 MET 124 19.468 -4.426 -4.426
962 H GLY 125 HN GLY 125 15.598 -7.144 -7.144
963 1HA GLY 125 HA1 GLY 125 15.920 -9.351 -9.351
964 2HA GLY 125 HA2 GLY 125 17.639 -9.013 -9.013
965 H CYS 126 HN CYS 126 15.750 -8.049 -8.049
966 HA CYS 126 HA CYS 126 17.361 -9.476 -9.476
967 1HB CYS 126 HB2 CYS 126 16.142 -8.541 -8.541
968 2HB CYS 126 HB3 CYS 126 15.748 -7.449 -7.449
969 H GLU 127 HN GLU 127 15.649 -10.839 -10.839
970 HA GLU 127 HA GLU 127 13.854 -12.553 -12.553
971 1HB GLU 127 HB2 GLU 127 15.844 -13.396 -13.396
972 2HB GLU 127 HB3 GLU 127 16.631 -13.792 -13.792
973 1HG GLU 127 HG2 GLU 127 15.595 -15.806 -15.806
974 2HG GLU 127 HG3 GLU 127 14.061 -14.986 -14.986
Start of MODEL 2
1 H CYS 1 HN CYS 1 -9.033 -13.323 -13.323
2 HA CYS 1 HA CYS 1 -8.114 -11.316 -11.316
3 1HB CYS 1 HB2 CYS 1 -9.394 -9.527 -9.527
4 2HB CYS 1 HB3 CYS 1 -10.695 -10.423 -10.423
5 H SER 2 HN SER 2 -9.531 -11.878 -11.878
6 HA SER 2 HA SER 2 -7.508 -10.603 -10.603
7 1HB SER 2 HB2 SER 2 -8.343 -12.309 -12.309
8 2HB SER 2 HB3 SER 2 -9.371 -10.996 -10.996
9 HG SER 2 HG SER 2 -9.486 -13.523 -13.523
10 H CYS 3 HN CYS 3 -5.569 -11.369 -11.369
11 HA CYS 3 HA CYS 3 -4.872 -14.143 -14.143
12 1HB CYS 3 HB2 CYS 3 -4.167 -13.938 -13.938
13 2HB CYS 3 HB3 CYS 3 -4.236 -12.187 -12.187
14 H SER 4 HN SER 4 -2.502 -14.501 -14.501
15 HA SER 4 HA SER 4 -2.117 -12.852 -12.852
16 1HB SER 4 HB2 SER 4 -0.474 -14.511 -14.511
17 2HB SER 4 HB3 SER 4 -1.884 -15.351 -15.351
18 HG SER 4 HG SER 4 -0.754 -16.122 -16.122
19 HA PRO 5 HA PRO 5 0.811 -10.409 -10.409
20 1HB PRO 5 HB2 PRO 5 1.190 -8.507 -8.507
21 2HB PRO 5 HB3 PRO 5 -0.110 -8.438 -8.438
22 1HG PRO 5 HG2 PRO 5 -0.234 -9.151 -9.151
23 2HG PRO 5 HG3 PRO 5 -1.537 -8.667 -8.667
24 1HD PRO 5 HD2 PRO 5 -0.949 -11.329 -11.329
25 2HD PRO 5 HD3 PRO 5 -2.178 -10.859 -10.859
26 H VAL 6 HN VAL 6 2.295 -12.210 -12.210
27 HA VAL 6 HA VAL 6 4.202 -12.032 -12.032
28 HB VAL 6 HB VAL 6 3.085 -14.204 -14.204
29 1HG1 VAL 6 HG13 VAL 6 3.965 -13.513 -13.513
30 2HG1 VAL 6 HG11 VAL 6 4.752 -15.033 -15.033
31 3HG1 VAL 6 HG12 VAL 6 2.977 -14.898 -14.898
32 1HG2 VAL 6 HG23 VAL 6 5.973 -13.693 -13.693
33 2HG2 VAL 6 HG21 VAL 6 4.896 -14.773 -14.773
34 3HG2 VAL 6 HG22 VAL 6 5.573 -15.306 -15.306
35 H HIS 7 HN HIS 7 5.931 -13.562 -13.562
36 HA HIS 7 HA HIS 7 7.788 -12.900 -12.900
37 1HB HIS 7 HB2 HIS 7 7.139 -11.327 -11.327
38 2HB HIS 7 HB3 HIS 7 6.669 -13.014 -13.014
39 HD1 HIS 7 HD1 HIS 7 4.242 -13.460 -13.460
40 HD2 HIS 7 HD2 HIS 7 4.920 -9.568 -9.568
41 HE1 HIS 7 HE1 HIS 7 1.978 -12.286 -12.286
42 HA PRO 8 HA PRO 8 8.500 -9.057 -9.057
43 1HB PRO 8 HB2 PRO 8 10.818 -9.813 -9.813
44 2HB PRO 8 HB3 PRO 8 9.239 -9.996 -9.996
45 1HG PRO 8 HG2 PRO 8 10.974 -12.067 -12.067
46 2HG PRO 8 HG3 PRO 8 9.623 -12.267 -12.267
47 1HD PRO 8 HD2 PRO 8 9.623 -12.749 -12.749
48 2HD PRO 8 HD3 PRO 8 8.244 -12.837 -12.837
49 H GLN 9 HN GLN 9 9.744 -10.565 -10.565
50 HA GLN 9 HA GLN 9 11.412 -8.243 -8.243
51 1HB GLN 9 HB2 GLN 9 12.983 -9.991 -9.991
52 2HB GLN 9 HB3 GLN 9 12.241 -11.145 -11.145
53 1HG GLN 9 HG2 GLN 9 13.515 -10.421 -10.421
54 2HG GLN 9 HG3 GLN 9 12.959 -8.774 -8.774
55 1HE2 GLN 9 HE22 GLN 9 15.577 -8.076 -8.076
56 2HE2 GLN 9 HE21 GLN 9 13.847 -8.070 -8.070
57 H GLN 10 HN GLN 10 9.810 -11.211 -11.211
58 HA GLN 10 HA GLN 10 9.933 -10.499 -10.499
59 1HB GLN 10 HB2 GLN 10 8.994 -12.544 -12.544
60 2HB GLN 10 HB3 GLN 10 8.709 -12.533 -12.533
61 1HG GLN 10 HG2 GLN 10 6.524 -12.771 -12.771
62 2HG GLN 10 HG3 GLN 10 6.615 -11.032 -11.032
63 1HE2 GLN 10 HE22 GLN 10 5.131 -11.636 -11.636
64 2HE2 GLN 10 HE21 GLN 10 4.750 -11.875 -11.875
65 H ALA 11 HN ALA 11 8.358 -8.880 -8.880
66 HA ALA 11 HA ALA 11 6.085 -7.990 -7.990
67 1HB ALA 11 HB2 ALA 11 7.017 -7.966 -7.966
68 2HB ALA 11 HB3 ALA 11 6.466 -6.347 -6.347
69 3HB ALA 11 HB1 ALA 11 5.371 -7.743 -7.743
70 H PHE 12 HN PHE 12 9.386 -6.902 -6.902
71 HA PHE 12 HA PHE 12 8.883 -4.316 -4.316
72 1HB PHE 12 HB2 PHE 12 11.335 -5.718 -5.718
73 2HB PHE 12 HB3 PHE 12 11.343 -4.045 -4.045
74 HD1 PHE 12 HD1 PHE 12 8.848 -6.022 -6.022
75 HD2 PHE 12 HD2 PHE 12 11.489 -2.701 -2.701
76 HE1 PHE 12 HE1 PHE 12 8.033 -5.313 -5.313
77 HE2 PHE 12 HE2 PHE 12 10.674 -1.992 -1.992
78 HZ PHE 12 HZ PHE 12 8.955 -3.307 -3.307
79 H CYS 13 HN CYS 13 9.288 -7.309 -7.309
80 HA CYS 13 HA CYS 13 11.117 -6.351 -6.351
81 1HB CYS 13 HB2 CYS 13 10.772 -8.975 -8.975
82 2HB CYS 13 HB3 CYS 13 10.962 -9.032 -9.032
83 H ASN 14 HN ASN 14 7.874 -7.029 -7.029
84 HA ASN 14 HA ASN 14 7.143 -7.692 -7.692
85 1HB ASN 14 HB2 ASN 14 6.169 -8.512 -8.512
86 2HB ASN 14 HB3 ASN 14 4.919 -7.451 -7.451
87 1HD2 ASN 14 HD21 ASN 14 6.677 -10.414 -10.414
88 2HD2 ASN 14 HD22 ASN 14 5.685 -11.136 -11.136
89 H ALA 15 HN ALA 15 6.733 -5.300 -5.300
90 HA ALA 15 HA ALA 15 4.748 -3.720 -3.720
91 1HB ALA 15 HB3 ALA 15 7.170 -3.016 -3.016
92 2HB ALA 15 HB1 ALA 15 5.789 -1.930 -1.930
93 3HB ALA 15 HB2 ALA 15 5.549 -3.472 -3.472
94 H ASP 16 HN ASP 16 5.157 -1.359 -1.359
95 HA ASP 16 HA ASP 16 7.484 -1.201 -1.201
96 1HB ASP 16 HB2 ASP 16 4.682 -1.604 -1.604
97 2HB ASP 16 HB3 ASP 16 5.611 -0.373 -0.373
98 H VAL 17 HN VAL 17 5.872 0.105 0.105
99 HA VAL 17 HA VAL 17 6.471 2.785 2.785
100 HB VAL 17 HB VAL 17 4.347 2.487 2.487
101 1HG1 VAL 17 HG11 VAL 17 3.447 0.824 0.824
102 2HG1 VAL 17 HG12 VAL 17 2.935 2.275 2.275
103 3HG1 VAL 17 HG13 VAL 17 2.304 1.971 1.971
104 1HG2 VAL 17 HG23 VAL 17 5.111 4.671 4.671
105 2HG2 VAL 17 HG21 VAL 17 3.383 4.544 4.544
106 3HG2 VAL 17 HG22 VAL 17 3.920 4.338 4.338
107 H VAL 18 HN VAL 18 7.802 2.340 2.340
108 HA VAL 18 HA VAL 18 6.309 1.945 1.945
109 HB VAL 18 HB VAL 18 9.245 2.201 2.201
110 1HG1 VAL 18 HG11 VAL 18 7.102 0.857 0.857
111 2HG1 VAL 18 HG12 VAL 18 8.428 -0.266 -0.266
112 3HG1 VAL 18 HG13 VAL 18 8.765 1.228 1.228
113 1HG2 VAL 18 HG23 VAL 18 7.882 0.332 0.332
114 2HG2 VAL 18 HG21 VAL 18 9.529 1.005 1.005
115 3HG2 VAL 18 HG22 VAL 18 9.157 -0.369 -0.369
116 H ILE 19 HN ILE 19 5.691 3.667 3.667
117 HA ILE 19 HA ILE 19 7.446 5.977 5.977
118 HB ILE 19 HB ILE 19 5.734 7.550 7.550
119 1HG1 ILE 19 HG12 ILE 19 3.946 5.156 5.156
120 2HG1 ILE 19 HG13 ILE 19 3.690 6.767 6.767
121 1HG2 ILE 19 HG21 ILE 19 7.122 6.338 6.338
122 2HG2 ILE 19 HG22 ILE 19 5.603 5.509 5.509
123 3HG2 ILE 19 HG23 ILE 19 5.706 7.283 7.283
124 1HD1 ILE 19 HD13 ILE 19 3.701 7.538 7.538
125 2HD1 ILE 19 HD11 ILE 19 3.435 5.814 5.814
126 3HD1 ILE 19 HD12 ILE 19 2.257 6.709 6.709
127 H ARG 20 HN ARG 20 7.664 6.648 6.648
128 HA ARG 20 HA ARG 20 6.104 5.331 5.331
129 1HB ARG 20 HB2 ARG 20 8.076 7.635 7.635
130 2HB ARG 20 HB3 ARG 20 7.549 6.501 6.501
131 1HG ARG 20 HG2 ARG 20 8.832 4.739 4.739
132 2HG ARG 20 HG3 ARG 20 8.796 5.368 5.368
133 1HD ARG 20 HD2 ARG 20 11.042 5.547 5.547
134 2HD ARG 20 HD3 ARG 20 10.500 6.969 6.969
135 HE ARG 20 HE ARG 20 9.372 7.380 7.380
136 1HH1 ARG 20 HH22 ARG 20 12.639 6.501 6.501
137 2HH1 ARG 20 HH21 ARG 20 13.385 7.267 7.267
138 1HH2 ARG 20 HH12 ARG 20 10.353 8.390 8.390
139 2HH2 ARG 20 HH11 ARG 20 12.076 8.348 8.348
140 H THR 21 HN THR 21 4.376 6.836 6.836
141 HA THR 21 HA THR 21 3.882 9.438 9.438
142 HB THR 21 HB THR 21 3.111 8.688 8.688
143 HG1 THR 21 HG1 THR 21 1.294 9.875 9.875
144 1HG2 THR 21 HG22 THR 21 2.678 6.228 6.228
145 2HG2 THR 21 HG23 THR 21 1.082 6.871 6.871
146 3HG2 THR 21 HG21 THR 21 1.595 6.895 6.895
147 H LYS 22 HN LYS 22 1.532 9.947 9.947
148 HA LYS 22 HA LYS 22 1.062 8.109 8.109
149 1HB LYS 22 HB2 LYS 22 0.813 9.982 9.982
150 2HB LYS 22 HB3 LYS 22 2.406 10.012 10.012
151 1HG LYS 22 HG2 LYS 22 1.754 11.770 11.770
152 2HG LYS 22 HG3 LYS 22 0.065 11.620 11.620
153 1HD LYS 22 HD2 LYS 22 2.346 12.755 12.755
154 2HD LYS 22 HD3 LYS 22 0.848 13.539 13.539
155 1HE LYS 22 HE2 LYS 22 -0.337 11.672 11.672
156 2HE LYS 22 HE3 LYS 22 1.250 11.343 11.343
157 1HZ LYS 22 HZ1 LYS 22 1.286 13.843 13.843
158 2HZ LYS 22 HZ2 LYS 22 -0.335 13.780 13.780
159 3HZ LYS 22 HZ3 LYS 22 0.381 12.906 12.906
160 H ALA 23 HN ALA 23 -0.981 7.352 7.352
161 HA ALA 23 HA ALA 23 -2.919 8.804 8.804
162 1HB ALA 23 HB2 ALA 23 -2.539 6.396 6.396
163 2HB ALA 23 HB3 ALA 23 -2.995 6.033 6.033
164 3HB ALA 23 HB1 ALA 23 -4.201 6.704 6.704
165 H VAL 24 HN VAL 24 -3.876 10.445 10.445
166 HA VAL 24 HA VAL 24 -4.699 9.819 9.819
167 HB VAL 24 HB VAL 24 -4.926 12.367 12.367
168 1HG1 VAL 24 HG13 VAL 24 -2.479 10.692 10.692
169 2HG1 VAL 24 HG11 VAL 24 -2.210 12.450 12.450
170 3HG1 VAL 24 HG12 VAL 24 -3.181 11.746 11.746
171 1HG2 VAL 24 HG23 VAL 24 -4.721 12.530 12.530
172 2HG2 VAL 24 HG21 VAL 24 -3.829 13.714 13.714
173 3HG2 VAL 24 HG22 VAL 24 -2.971 12.332 12.332
174 H SER 25 HN SER 25 -5.725 10.964 10.964
175 HA SER 25 HA SER 25 -8.464 10.870 10.870
176 1HB SER 25 HB2 SER 25 -8.304 13.021 13.021
177 2HB SER 25 HB3 SER 25 -7.066 12.594 12.594
178 HG SER 25 HG SER 25 -9.296 13.099 13.099
179 H GLU 26 HN GLU 26 -10.107 10.098 10.098
180 HA GLU 26 HA GLU 26 -8.939 8.367 8.367
181 1HB GLU 26 HB2 GLU 26 -10.525 7.374 7.374
182 2HB GLU 26 HB3 GLU 26 -10.578 6.498 6.498
183 1HG GLU 26 HG2 GLU 26 -8.661 5.468 5.468
184 2HG GLU 26 HG3 GLU 26 -7.840 6.985 6.985
185 H LYS 27 HN LYS 27 -11.157 7.025 7.025
186 HA LYS 27 HA LYS 27 -13.397 8.831 8.831
187 1HB LYS 27 HB2 LYS 27 -11.864 9.837 9.837
188 2HB LYS 27 HB3 LYS 27 -11.762 8.309 8.309
189 1HG LYS 27 HG2 LYS 27 -13.920 8.470 8.470
190 2HG LYS 27 HG3 LYS 27 -14.526 9.356 9.356
191 1HD LYS 27 HD2 LYS 27 -14.294 10.676 10.676
192 2HD LYS 27 HD3 LYS 27 -13.636 11.429 11.429
193 1HE LYS 27 HE2 LYS 27 -11.365 10.774 10.774
194 2HE LYS 27 HE3 LYS 27 -11.934 9.729 9.729
195 1HZ LYS 27 HZ3 LYS 27 -13.008 12.129 12.129
196 2HZ LYS 27 HZ1 LYS 27 -11.532 12.532 12.532
197 3HZ LYS 27 HZ2 LYS 27 -11.667 11.493 11.493
198 H GLU 28 HN GLU 28 -15.085 7.490 7.490
199 HA GLU 28 HA GLU 28 -14.777 4.729 4.729
200 1HB GLU 28 HB2 GLU 28 -16.065 5.353 5.353
201 2HB GLU 28 HB3 GLU 28 -17.085 6.434 6.434
202 1HG GLU 28 HG2 GLU 28 -17.580 4.147 4.147
203 2HG GLU 28 HG3 GLU 28 -17.151 3.432 3.432
204 H VAL 29 HN VAL 29 -14.499 4.437 4.437
205 HA VAL 29 HA VAL 29 -16.683 5.426 5.426
206 HB VAL 29 HB VAL 29 -15.120 4.874 4.874
207 1HG1 VAL 29 HG13 VAL 29 -15.275 7.120 7.120
208 2HG1 VAL 29 HG11 VAL 29 -13.585 6.698 6.698
209 3HG1 VAL 29 HG12 VAL 29 -14.097 6.919 6.919
210 1HG2 VAL 29 HG21 VAL 29 -13.750 3.428 3.428
211 2HG2 VAL 29 HG22 VAL 29 -13.220 3.736 3.736
212 3HG2 VAL 29 HG23 VAL 29 -12.702 4.822 4.822
213 H ASP 30 HN ASP 30 -18.351 3.991 3.991
214 HA ASP 30 HA ASP 30 -18.200 1.369 1.369
215 1HB ASP 30 HB2 ASP 30 -20.070 2.259 2.259
216 2HB ASP 30 HB3 ASP 30 -20.398 1.179 1.179
217 H SER 31 HN SER 31 -18.210 -0.621 -0.621
218 HA SER 31 HA SER 31 -17.267 -0.188 -0.188
219 1HB SER 31 HB2 SER 31 -15.176 -0.658 -0.658
220 2HB SER 31 HB3 SER 31 -15.816 -1.552 -1.552
221 HG SER 31 HG SER 31 -15.973 -2.580 -2.580
222 H GLY 32 HN GLY 32 -19.837 -1.047 -1.047
223 1HA GLY 32 HA1 GLY 32 -21.512 -2.475 -2.475
224 2HA GLY 32 HA2 GLY 32 -20.516 -3.183 -3.183
225 H ASN 33 HN ASN 33 -21.914 -5.068 -5.068
226 HA ASN 33 HA ASN 33 -20.686 -5.999 -5.999
227 1HB ASN 33 HB2 ASN 33 -22.560 -7.606 -7.606
228 2HB ASN 33 HB3 ASN 33 -22.355 -7.743 -7.743
229 1HD2 ASN 33 HD22 ASN 33 -25.497 -5.855 -5.855
230 2HD2 ASN 33 HD21 ASN 33 -24.771 -7.334 -7.334
231 H ASP 34 HN ASP 34 -19.883 -8.406 -8.406
232 HA ASP 34 HA ASP 34 -18.127 -8.719 -8.719
233 1HB ASP 34 HB2 ASP 34 -17.593 -8.914 -8.914
234 2HB ASP 34 HB3 ASP 34 -18.142 -10.563 -10.563
235 H ILE 35 HN ILE 35 -17.731 -11.613 -11.613
236 HA ILE 35 HA ILE 35 -20.051 -12.525 -12.525
237 HB ILE 35 HB ILE 35 -17.492 -13.920 -13.920
238 1HG1 ILE 35 HG12 ILE 35 -17.007 -13.594 -13.594
239 2HG1 ILE 35 HG13 ILE 35 -18.314 -12.427 -12.427
240 1HG2 ILE 35 HG21 ILE 35 -19.826 -14.773 -14.773
241 2HG2 ILE 35 HG22 ILE 35 -18.195 -15.452 -15.452
242 3HG2 ILE 35 HG23 ILE 35 -19.032 -15.642 -15.642
243 1HD1 ILE 35 HD13 ILE 35 -16.190 -12.185 -12.185
244 2HD1 ILE 35 HD11 ILE 35 -15.821 -11.646 -11.646
245 3HD1 ILE 35 HD12 ILE 35 -17.174 -10.912 -10.912
246 H TYR 36 HN TYR 36 -19.484 -11.982 -11.982
247 HA TYR 36 HA TYR 36 -20.887 -14.424 -14.424
248 1HB TYR 36 HB2 TYR 36 -18.553 -13.317 -13.317
249 2HB TYR 36 HB3 TYR 36 -19.657 -12.311 -12.311
250 HD1 TYR 36 HD2 TYR 36 -21.183 -13.350 -13.350
251 HD2 TYR 36 HD1 TYR 36 -18.159 -15.611 -15.611
252 HE1 TYR 36 HE2 TYR 36 -21.361 -15.170 -15.170
253 HE2 TYR 36 HE1 TYR 36 -18.347 -17.424 -17.424
254 HH TYR 36 HH TYR 36 -19.235 -17.222 -17.222
255 H GLY 37 HN GLY 37 -21.540 -11.312 -11.312
256 1HA GLY 37 HA1 GLY 37 -23.586 -10.277 -10.277
257 2HA GLY 37 HA2 GLY 37 -24.060 -11.294 -11.294
258 H ASN 38 HN ASN 38 -21.045 -10.422 -10.422
259 HA ASN 38 HA ASN 38 -22.075 -8.460 -8.460
260 1HB ASN 38 HB2 ASN 38 -19.579 -8.397 -8.397
261 2HB ASN 38 HB3 ASN 38 -20.425 -9.918 -9.918
262 1HD2 ASN 38 HD22 ASN 38 -17.111 -10.586 -10.586
263 2HD2 ASN 38 HD21 ASN 38 -17.716 -9.853 -9.853
264 HA PRO 39 HA PRO 39 -20.663 -4.975 -4.975
265 1HB PRO 39 HB2 PRO 39 -20.250 -3.129 -3.129
266 2HB PRO 39 HB3 PRO 39 -21.837 -3.513 -3.513
267 1HG PRO 39 HG2 PRO 39 -20.633 -4.309 -4.309
268 2HG PRO 39 HG3 PRO 39 -22.321 -4.311 -4.311
269 1HD PRO 39 HD2 PRO 39 -20.587 -6.590 -6.590
270 2HD PRO 39 HD3 PRO 39 -22.242 -6.575 -6.575
271 H ILE 40 HN ILE 40 -18.882 -4.469 -4.469
272 HA ILE 40 HA ILE 40 -16.436 -5.455 -5.455
273 HB ILE 40 HB ILE 40 -17.151 -3.655 -3.655
274 1HG1 ILE 40 HG12 ILE 40 -16.512 -6.610 -6.610
275 2HG1 ILE 40 HG13 ILE 40 -18.065 -5.893 -5.893
276 1HG2 ILE 40 HG22 ILE 40 -14.475 -4.794 -4.794
277 2HG2 ILE 40 HG23 ILE 40 -14.846 -4.288 -4.288
278 3HG2 ILE 40 HG21 ILE 40 -14.905 -3.101 -3.101
279 1HD1 ILE 40 HD11 ILE 40 -16.442 -4.675 -4.675
280 2HD1 ILE 40 HD12 ILE 40 -15.686 -6.279 -6.279
281 3HD1 ILE 40 HD13 ILE 40 -17.405 -6.143 -6.143
282 H LYS 41 HN LYS 41 -16.929 -2.036 -2.036
283 HA LYS 41 HA LYS 41 -16.400 -0.117 -0.117
284 1HB LYS 41 HB2 LYS 41 -17.712 -0.893 -0.893
285 2HB LYS 41 HB3 LYS 41 -16.297 -1.684 -1.684
286 1HG LYS 41 HG2 LYS 41 -16.465 0.447 0.447
287 2HG LYS 41 HG3 LYS 41 -15.121 0.581 0.581
288 1HD LYS 41 HD2 LYS 41 -16.402 2.591 2.591
289 2HD LYS 41 HD3 LYS 41 -16.751 1.604 1.604
290 1HE LYS 41 HE2 LYS 41 -18.781 0.702 0.702
291 2HE LYS 41 HE3 LYS 41 -18.512 2.125 2.125
292 1HZ LYS 41 HZ1 LYS 41 -18.458 2.892 2.892
293 2HZ LYS 41 HZ2 LYS 41 -19.793 1.978 1.978
294 3HZ LYS 41 HZ3 LYS 41 -19.548 3.302 3.302
295 H ARG 42 HN ARG 42 -14.504 0.911 0.911
296 HA ARG 42 HA ARG 42 -12.118 -0.481 -0.481
297 1HB ARG 42 HB2 ARG 42 -11.260 0.892 0.892
298 2HB ARG 42 HB3 ARG 42 -11.609 -0.825 -0.825
299 1HG ARG 42 HG2 ARG 42 -14.047 -0.254 -0.254
300 2HG ARG 42 HG3 ARG 42 -13.533 1.400 1.400
301 1HD ARG 42 HD2 ARG 42 -11.743 0.316 0.316
302 2HD ARG 42 HD3 ARG 42 -12.797 -1.083 -1.083
303 HE ARG 42 HE ARG 42 -14.222 1.421 1.421
304 1HH1 ARG 42 HH22 ARG 42 -12.442 -1.250 -1.250
305 2HH1 ARG 42 HH21 ARG 42 -13.158 -1.052 -1.052
306 1HH2 ARG 42 HH12 ARG 42 -15.168 1.683 1.683
307 2HH2 ARG 42 HH11 ARG 42 -14.720 0.627 0.627
308 H ILE 43 HN ILE 43 -12.748 1.206 1.206
309 HA ILE 43 HA ILE 43 -12.795 3.858 3.858
310 HB ILE 43 HB ILE 43 -12.041 1.928 1.928
311 1HG1 ILE 43 HG12 ILE 43 -12.917 3.912 3.912
312 2HG1 ILE 43 HG13 ILE 43 -13.334 4.643 4.643
313 1HG2 ILE 43 HG22 ILE 43 -10.484 4.527 4.527
314 2HG2 ILE 43 HG23 ILE 43 -10.626 3.357 3.357
315 3HG2 ILE 43 HG21 ILE 43 -9.812 2.888 2.888
316 1HD1 ILE 43 HD11 ILE 43 -14.219 1.965 1.965
317 2HD1 ILE 43 HD12 ILE 43 -14.663 2.467 2.467
318 3HD1 ILE 43 HD13 ILE 43 -15.232 3.407 3.407
319 H GLN 44 HN GLN 44 -11.344 5.623 5.623
320 HA GLN 44 HA GLN 44 -9.044 4.944 4.944
321 1HB GLN 44 HB2 GLN 44 -10.361 7.589 7.589
322 2HB GLN 44 HB3 GLN 44 -8.886 7.499 7.499
323 1HG GLN 44 HG2 GLN 44 -11.658 6.516 6.516
324 2HG GLN 44 HG3 GLN 44 -10.611 7.597 7.597
325 1HE2 GLN 44 HE22 GLN 44 -10.191 3.494 3.494
326 2HE2 GLN 44 HE21 GLN 44 -11.126 4.284 4.284
327 H TYR 45 HN TYR 45 -7.114 6.769 6.769
328 HA TYR 45 HA TYR 45 -6.620 6.693 6.693
329 1HB TYR 45 HB2 TYR 45 -5.254 5.328 5.328
330 2HB TYR 45 HB3 TYR 45 -4.149 6.198 6.198
331 HD1 TYR 45 HD2 TYR 45 -5.792 5.714 5.714
332 HD2 TYR 45 HD1 TYR 45 -4.447 3.126 3.126
333 HE1 TYR 45 HE2 TYR 45 -5.784 3.752 3.752
334 HE2 TYR 45 HE1 TYR 45 -4.442 1.172 1.172
335 HH TYR 45 HH TYR 45 -4.846 0.507 0.507
336 H GLU 46 HN GLU 46 -7.383 9.024 9.024
337 HA GLU 46 HA GLU 46 -5.722 10.613 10.613
338 1HB GLU 46 HB2 GLU 46 -8.147 10.982 10.982
339 2HB GLU 46 HB3 GLU 46 -7.232 11.766 11.766
340 1HG GLU 46 HG2 GLU 46 -6.175 13.287 13.287
341 2HG GLU 46 HG3 GLU 46 -6.975 12.458 12.458
342 H ILE 47 HN ILE 47 -3.614 9.626 9.626
343 HA ILE 47 HA ILE 47 -2.780 10.255 10.255
344 HB ILE 47 HB ILE 47 -0.556 9.641 9.641
345 1HG1 ILE 47 HG12 ILE 47 -1.905 9.858 9.858
346 2HG1 ILE 47 HG13 ILE 47 -0.357 10.496 10.496
347 1HG2 ILE 47 HG23 ILE 47 -2.886 8.027 8.027
348 2HG2 ILE 47 HG21 ILE 47 -1.901 7.446 7.446
349 3HG2 ILE 47 HG22 ILE 47 -1.191 7.551 7.551
350 1HD1 ILE 47 HD11 ILE 47 -0.121 7.705 7.705
351 2HD1 ILE 47 HD12 ILE 47 -0.976 7.894 7.894
352 3HD1 ILE 47 HD13 ILE 47 0.606 8.671 8.671
353 H LYS 48 HN LYS 48 -0.404 11.551 11.551
354 HA LYS 48 HA LYS 48 -1.053 14.152 14.152
355 1HB LYS 48 HB2 LYS 48 -1.302 13.759 13.759
356 2HB LYS 48 HB3 LYS 48 0.437 13.977 13.977
357 1HG LYS 48 HG2 LYS 48 0.258 16.179 16.179
358 2HG LYS 48 HG3 LYS 48 -1.425 15.938 15.938
359 1HD LYS 48 HD2 LYS 48 -0.836 17.356 17.356
360 2HD LYS 48 HD3 LYS 48 -2.181 16.236 16.236
361 1HE LYS 48 HE2 LYS 48 -0.841 14.553 14.553
362 2HE LYS 48 HE3 LYS 48 0.638 15.448 15.448
363 1HZ LYS 48 HZ2 LYS 48 -1.512 16.759 16.759
364 2HZ LYS 48 HZ3 LYS 48 -0.609 15.647 15.647
365 3HZ LYS 48 HZ1 LYS 48 0.102 16.966 16.966
366 H GLN 49 HN GLN 49 0.903 11.487 11.487
367 HA GLN 49 HA GLN 49 2.885 11.070 11.070
368 1HB GLN 49 HB2 GLN 49 2.778 12.010 12.010
369 2HB GLN 49 HB3 GLN 49 1.983 13.447 13.447
370 1HG GLN 49 HG2 GLN 49 4.118 14.121 14.121
371 2HG GLN 49 HG3 GLN 49 4.221 14.314 14.314
372 1HE2 GLN 49 HE22 GLN 49 6.009 10.948 10.948
373 2HE2 GLN 49 HE21 GLN 49 4.454 11.503 11.503
374 H ILE 50 HN ILE 50 4.825 10.924 10.924
375 HA ILE 50 HA ILE 50 5.855 13.370 13.370
376 HB ILE 50 HB ILE 50 5.714 12.611 12.611
377 1HG1 ILE 50 HG12 ILE 50 6.883 10.079 10.079
378 2HG1 ILE 50 HG13 ILE 50 7.609 11.245 11.245
379 1HG2 ILE 50 HG21 ILE 50 3.512 11.824 11.824
380 2HG2 ILE 50 HG22 ILE 50 4.168 10.189 10.189
381 3HG2 ILE 50 HG23 ILE 50 3.902 11.264 11.264
382 1HD1 ILE 50 HD13 ILE 50 5.238 9.466 9.466
383 2HD1 ILE 50 HD11 ILE 50 6.932 9.122 9.122
384 3HD1 ILE 50 HD12 ILE 50 6.120 10.556 10.556
385 H LYS 51 HN LYS 51 6.319 10.152 10.152
386 HA LYS 51 HA LYS 51 8.969 10.981 10.981
387 1HB LYS 51 HB2 LYS 51 8.729 9.463 9.463
388 2HB LYS 51 HB3 LYS 51 9.062 8.262 8.262
389 1HG LYS 51 HG2 LYS 51 11.145 9.215 9.215
390 2HG LYS 51 HG3 LYS 51 10.700 10.805 10.805
391 1HD LYS 51 HD2 LYS 51 10.515 9.273 9.273
392 2HD LYS 51 HD3 LYS 51 11.845 8.496 8.496
393 1HE LYS 51 HE2 LYS 51 12.862 10.840 10.840
394 2HE LYS 51 HE3 LYS 51 11.627 11.443 11.443
395 1HZ LYS 51 HZ1 LYS 51 13.560 9.331 9.331
396 2HZ LYS 51 HZ2 LYS 51 13.658 10.888 10.888
397 3HZ LYS 51 HZ3 LYS 51 12.435 9.942 9.942
398 H MET 52 HN MET 52 9.909 9.231 9.231
399 HA MET 52 HA MET 52 7.816 7.676 7.676
400 1HB MET 52 HB2 MET 52 8.381 8.664 8.664
401 2HB MET 52 HB3 MET 52 7.650 9.832 9.832
402 1HG MET 52 HG2 MET 52 10.616 9.698 9.698
403 2HG MET 52 HG3 MET 52 10.036 10.212 10.212
404 1HE MET 52 HE2 MET 52 11.783 11.866 11.866
405 2HE MET 52 HE3 MET 52 10.997 12.896 12.896
406 3HE MET 52 HE1 MET 52 11.066 13.425 13.425
407 H PHE 53 HN PHE 53 9.381 6.110 6.110
408 HA PHE 53 HA PHE 53 11.968 5.739 5.739
409 1HB PHE 53 HB2 PHE 53 9.523 4.036 4.036
410 2HB PHE 53 HB3 PHE 53 10.881 3.170 3.170
411 HD1 PHE 53 HD2 PHE 53 13.199 4.169 4.169
412 HD2 PHE 53 HD1 PHE 53 9.312 3.488 3.488
413 HE1 PHE 53 HE2 PHE 53 14.173 3.865 3.865
414 HE2 PHE 53 HE1 PHE 53 10.285 3.184 3.184
415 HZ PHE 53 HZ PHE 53 12.704 3.377 3.377
416 H LYS 54 HN LYS 54 9.629 3.818 3.818
417 HA LYS 54 HA LYS 54 11.270 4.476 4.476
418 1HB LYS 54 HB2 LYS 54 11.399 2.040 2.040
419 2HB LYS 54 HB3 LYS 54 10.209 1.733 1.733
420 1HG LYS 54 HG2 LYS 54 12.535 1.277 1.277
421 2HG LYS 54 HG3 LYS 54 11.749 2.519 2.519
422 1HD LYS 54 HD2 LYS 54 13.113 3.720 3.720
423 2HD LYS 54 HD3 LYS 54 14.227 2.721 2.721
424 1HE LYS 54 HE2 LYS 54 12.432 4.855 4.855
425 2HE LYS 54 HE3 LYS 54 14.106 5.121 5.121
426 1HZ LYS 54 HZ2 LYS 54 13.304 2.958 2.958
427 2HZ LYS 54 HZ3 LYS 54 13.684 4.452 4.452
428 3HZ LYS 54 HZ1 LYS 54 14.805 3.555 3.555
429 H GLY 55 HN GLY 55 9.367 6.103 6.103
430 1HA GLY 55 HA1 GLY 55 7.048 4.827 4.827
431 2HA GLY 55 HA2 GLY 55 6.922 6.206 6.206
432 HA PRO 56 HA PRO 56 7.328 7.977 7.977
433 1HB PRO 56 HB2 PRO 56 5.313 9.810 9.810
434 2HB PRO 56 HB3 PRO 56 5.081 8.208 8.208
435 1HG PRO 56 HG2 PRO 56 4.270 9.239 9.239
436 2HG PRO 56 HG3 PRO 56 3.693 7.819 7.819
437 1HD PRO 56 HD2 PRO 56 5.535 7.872 7.872
438 2HD PRO 56 HD3 PRO 56 5.046 6.467 6.467
439 H GLU 57 HN GLU 57 7.259 10.539 10.539
440 HA GLU 57 HA GLU 57 9.337 11.497 11.497
441 1HB GLU 57 HB2 GLU 57 8.293 13.119 13.119
442 2HB GLU 57 HB3 GLU 57 9.942 12.913 12.913
443 1HG GLU 57 HG2 GLU 57 9.745 10.447 10.447
444 2HG GLU 57 HG3 GLU 57 8.257 10.914 10.914
445 H LYS 58 HN LYS 58 5.942 12.211 12.211
446 HA LYS 58 HA LYS 58 5.953 14.662 14.662
447 1HB LYS 58 HB2 LYS 58 4.583 13.954 13.954
448 2HB LYS 58 HB3 LYS 58 3.446 13.353 13.353
449 1HG LYS 58 HG2 LYS 58 2.736 15.454 15.454
450 2HG LYS 58 HG3 LYS 58 4.370 15.978 15.978
451 1HD LYS 58 HD2 LYS 58 3.272 15.735 15.735
452 2HD LYS 58 HD3 LYS 58 3.209 17.221 17.221
453 1HE LYS 58 HE2 LYS 58 5.838 16.712 16.712
454 2HE LYS 58 HE3 LYS 58 5.607 15.805 15.805
455 1HZ LYS 58 HZ1 LYS 58 4.674 17.786 17.786
456 2HZ LYS 58 HZ2 LYS 58 4.897 18.630 18.630
457 3HZ LYS 58 HZ3 LYS 58 6.186 18.075 18.075
458 H ASP 59 HN ASP 59 3.643 11.887 11.887
459 HA ASP 59 HA ASP 59 4.230 10.760 10.760
460 1HB ASP 59 HB2 ASP 59 4.445 12.745 12.745
461 2HB ASP 59 HB3 ASP 59 3.038 13.489 13.489
462 H ILE 60 HN ILE 60 2.084 10.024 10.024
463 HA ILE 60 HA ILE 60 0.021 9.697 9.697
464 HB ILE 60 HB ILE 60 0.078 8.214 8.214
465 1HG1 ILE 60 HG12 ILE 60 2.417 8.207 8.207
466 2HG1 ILE 60 HG13 ILE 60 1.675 6.622 6.622
467 1HG2 ILE 60 HG21 ILE 60 -1.768 8.053 8.053
468 2HG2 ILE 60 HG22 ILE 60 -0.577 7.214 7.214
469 3HG2 ILE 60 HG23 ILE 60 -1.040 6.526 6.526
470 1HD1 ILE 60 HD13 ILE 60 1.512 8.222 8.222
471 2HD1 ILE 60 HD11 ILE 60 2.972 7.282 7.282
472 3HD1 ILE 60 HD12 ILE 60 1.401 6.461 6.461
473 H GLU 61 HN GLU 61 -0.006 9.942 9.942
474 HA GLU 61 HA GLU 61 -1.130 11.244 11.244
475 1HB GLU 61 HB2 GLU 61 -1.058 12.861 12.861
476 2HB GLU 61 HB3 GLU 61 -2.613 13.070 13.070
477 1HG GLU 61 HG2 GLU 61 -0.865 13.148 13.148
478 2HG GLU 61 HG3 GLU 61 0.085 13.913 13.913
479 H PHE 62 HN PHE 62 -2.414 9.345 9.345
480 HA PHE 62 HA PHE 62 -4.907 9.101 9.101
481 1HB PHE 62 HB2 PHE 62 -4.482 10.302 10.302
482 2HB PHE 62 HB3 PHE 62 -5.610 8.961 8.961
483 HD1 PHE 62 HD1 PHE 62 -7.665 9.040 9.040
484 HD2 PHE 62 HD2 PHE 62 -5.136 12.403 12.403
485 HE1 PHE 62 HE1 PHE 62 -9.502 10.550 10.550
486 HE2 PHE 62 HE2 PHE 62 -6.974 13.914 13.914
487 HZ PHE 62 HZ PHE 62 -9.134 12.969 12.969
488 H ILE 63 HN ILE 63 -4.475 6.992 6.992
489 HA ILE 63 HA ILE 63 -3.823 5.120 5.120
490 HB ILE 63 HB ILE 63 -3.524 4.423 4.423
491 1HG1 ILE 63 HG12 ILE 63 -2.428 6.787 6.787
492 2HG1 ILE 63 HG13 ILE 63 -1.841 5.815 5.815
493 1HG2 ILE 63 HG22 ILE 63 -2.232 3.646 3.646
494 2HG2 ILE 63 HG23 ILE 63 -1.464 3.284 3.284
495 3HG2 ILE 63 HG21 ILE 63 -3.075 2.626 2.626
496 1HD1 ILE 63 HD12 ILE 63 -0.937 5.339 5.339
497 2HD1 ILE 63 HD13 ILE 63 -0.099 6.459 6.459
498 3HD1 ILE 63 HD11 ILE 63 -0.191 4.725 4.725
499 H TYR 64 HN TYR 64 -4.766 2.819 2.819
500 HA TYR 64 HA TYR 64 -7.527 3.173 3.173
501 1HB TYR 64 HB2 TYR 64 -6.264 1.649 1.649
502 2HB TYR 64 HB3 TYR 64 -7.913 1.351 1.351
503 HD1 TYR 64 HD1 TYR 64 -5.803 4.378 4.378
504 HD2 TYR 64 HD2 TYR 64 -9.529 2.353 2.353
505 HE1 TYR 64 HE1 TYR 64 -6.615 6.276 6.276
506 HE2 TYR 64 HE2 TYR 64 -10.327 4.259 4.259
507 HH TYR 64 HH TYR 64 -8.278 6.509 6.509
508 H THR 65 HN THR 65 -8.494 1.363 1.363
509 HA THR 65 HA THR 65 -7.093 -1.087 -1.087
510 HB THR 65 HB THR 65 -5.657 0.362 0.362
511 HG1 THR 65 HG1 THR 65 -6.287 -0.922 -0.922
512 1HG2 THR 65 HG23 THR 65 -8.360 1.062 1.062
513 2HG2 THR 65 HG21 THR 65 -6.926 1.006 1.006
514 3HG2 THR 65 HG22 THR 65 -6.974 2.131 2.131
515 H ALA 66 HN ALA 66 -8.193 -1.980 -1.980
516 HA ALA 66 HA ALA 66 -11.013 -1.959 -1.959
517 1HB ALA 66 HB2 ALA 66 -9.130 -3.959 -3.959
518 2HB ALA 66 HB3 ALA 66 -10.389 -3.859 -3.859
519 3HB ALA 66 HB1 ALA 66 -10.843 -4.166 -4.166
520 HA PRO 67 HA PRO 67 -12.092 0.218 0.218
521 1HB PRO 67 HB2 PRO 67 -14.644 -0.653 -0.653
522 2HB PRO 67 HB3 PRO 67 -14.241 0.553 0.553
523 1HG PRO 67 HG2 PRO 67 -14.955 -2.289 -2.289
524 2HG PRO 67 HG3 PRO 67 -14.967 -0.983 -0.983
525 1HD PRO 67 HD2 PRO 67 -12.996 -3.053 -3.053
526 2HD PRO 67 HD3 PRO 67 -12.951 -1.682 -1.682
527 H SER 68 HN SER 68 -13.704 -0.353 -0.353
528 HA SER 68 HA SER 68 -13.558 -1.232 -1.232
529 1HB SER 68 HB2 SER 68 -13.408 -3.525 -3.525
530 2HB SER 68 HB3 SER 68 -12.622 -3.874 -3.874
531 HG SER 68 HG SER 68 -14.530 -3.492 -3.492
532 H SER 69 HN SER 69 -11.833 -3.066 -3.066
533 HA SER 69 HA SER 69 -9.658 -1.509 -1.509
534 1HB SER 69 HB2 SER 69 -8.695 -3.631 -3.631
535 2HB SER 69 HB3 SER 69 -10.294 -3.170 -3.170
536 HG SER 69 HG SER 69 -9.478 -5.442 -5.442
537 H ALA 70 HN ALA 70 -10.061 -4.252 -4.252
538 HA ALA 70 HA ALA 70 -8.495 -3.510 -3.510
539 1HB ALA 70 HB1 ALA 70 -6.791 -4.100 -4.100
540 2HB ALA 70 HB2 ALA 70 -6.269 -4.858 -4.858
541 3HB ALA 70 HB3 ALA 70 -6.460 -3.091 -3.091
542 H VAL 71 HN VAL 71 -9.487 -4.936 -4.936
543 HA VAL 71 HA VAL 71 -9.448 -7.755 -7.755
544 HB VAL 71 HB VAL 71 -11.559 -7.990 -7.990
545 1HG1 VAL 71 HG12 VAL 71 -11.358 -5.760 -5.760
546 2HG1 VAL 71 HG13 VAL 71 -11.887 -5.009 -5.009
547 3HG1 VAL 71 HG11 VAL 71 -12.908 -6.235 -6.235
548 1HG2 VAL 71 HG23 VAL 71 -10.816 -6.146 -6.146
549 2HG2 VAL 71 HG21 VAL 71 -11.277 -7.865 -7.865
550 3HG2 VAL 71 HG22 VAL 71 -12.505 -6.623 -6.623
551 H CYS 72 HN CYS 72 -9.028 -5.391 -5.391
552 HA CYS 72 HA CYS 72 -7.506 -7.483 -7.483
553 1HB CYS 72 HB2 CYS 72 -8.991 -5.238 -5.238
554 2HB CYS 72 HB3 CYS 72 -8.187 -6.606 -6.606
555 H GLY 73 HN GLY 73 -7.070 -5.054 -5.054
556 1HA GLY 73 HA1 GLY 73 -4.625 -4.148 -4.148
557 2HA GLY 73 HA2 GLY 73 -5.822 -2.908 -2.908
558 H VAL 74 HN VAL 74 -4.315 -1.905 -1.905
559 HA VAL 74 HA VAL 74 -4.123 -3.406 -3.406
560 HB VAL 74 HB VAL 74 -2.315 -1.274 -1.274
561 1HG1 VAL 74 HG11 VAL 74 -2.208 -2.741 -2.741
562 2HG1 VAL 74 HG12 VAL 74 -0.868 -1.783 -1.783
563 3HG1 VAL 74 HG13 VAL 74 -2.410 -0.992 -0.992
564 1HG2 VAL 74 HG23 VAL 74 -2.291 -3.752 -3.752
565 2HG2 VAL 74 HG21 VAL 74 -0.762 -2.923 -2.923
566 3HG2 VAL 74 HG22 VAL 74 -1.459 -4.076 -4.076
567 H SER 75 HN SER 75 -5.832 -1.030 -1.030
568 HA SER 75 HA SER 75 -6.817 0.861 0.861
569 1HB SER 75 HB2 SER 75 -7.870 -1.356 -1.356
570 2HB SER 75 HB3 SER 75 -7.729 -0.179 -0.179
571 HG SER 75 HG SER 75 -9.777 0.028 0.028
572 H LEU 76 HN LEU 76 -4.982 2.279 2.279
573 HA LEU 76 HA LEU 76 -4.201 2.572 2.572
574 1HB LEU 76 HB2 LEU 76 -2.739 4.005 4.005
575 2HB LEU 76 HB3 LEU 76 -2.150 3.234 3.234
576 HG LEU 76 HG LEU 76 -2.966 1.059 1.059
577 1HD1 LEU 76 HD13 LEU 76 -3.032 3.111 3.111
578 2HD1 LEU 76 HD11 LEU 76 -1.457 2.331 2.331
579 3HD1 LEU 76 HD12 LEU 76 -2.952 1.365 1.365
580 1HD2 LEU 76 HD21 LEU 76 -0.530 2.222 2.222
581 2HD2 LEU 76 HD22 LEU 76 -0.898 0.516 0.516
582 3HD2 LEU 76 HD23 LEU 76 -0.257 1.568 1.568
583 H ASP 77 HN ASP 77 -4.742 4.380 4.380
584 HA ASP 77 HA ASP 77 -6.122 6.430 6.430
585 1HB ASP 77 HB2 ASP 77 -7.009 6.916 6.916
586 2HB ASP 77 HB3 ASP 77 -7.802 5.770 5.770
587 H VAL 78 HN VAL 78 -3.258 5.660 5.660
588 HA VAL 78 HA VAL 78 -1.518 6.872 6.872
589 HB VAL 78 HB VAL 78 -3.276 8.920 8.920
590 1HG1 VAL 78 HG12 VAL 78 -1.377 9.562 9.562
591 2HG1 VAL 78 HG13 VAL 78 -1.402 10.641 10.641
592 3HG1 VAL 78 HG11 VAL 78 -2.891 10.363 10.363
593 1HG2 VAL 78 HG23 VAL 78 -0.920 7.524 7.524
594 2HG2 VAL 78 HG21 VAL 78 -1.728 8.800 8.800
595 3HG2 VAL 78 HG22 VAL 78 -0.434 9.223 9.223
596 H GLY 79 HN GLY 79 -4.596 8.423 8.423
597 1HA GLY 79 HA1 GLY 79 -3.728 9.359 9.359
598 2HA GLY 79 HA2 GLY 79 -5.351 8.797 8.797
599 H GLY 80 HN GLY 80 -3.807 6.066 6.066
600 1HA GLY 80 HA1 GLY 80 -3.735 5.115 5.115
601 2HA GLY 80 HA2 GLY 80 -4.350 4.185 4.185
602 H LYS 81 HN LYS 81 -2.220 5.154 5.154
603 HA LYS 81 HA LYS 81 -0.036 3.527 3.527
604 1HB LYS 81 HB2 LYS 81 0.236 3.752 3.752
605 2HB LYS 81 HB3 LYS 81 -0.191 2.333 2.333
606 1HG LYS 81 HG2 LYS 81 -2.235 4.432 4.432
607 2HG LYS 81 HG3 LYS 81 -1.870 3.010 3.010
608 1HD LYS 81 HD2 LYS 81 -2.936 1.569 1.569
609 2HD LYS 81 HD3 LYS 81 -2.473 2.489 2.489
610 1HE LYS 81 HE2 LYS 81 -4.560 3.378 3.378
611 2HE LYS 81 HE3 LYS 81 -4.202 4.212 4.212
612 1HZ LYS 81 HZ1 LYS 81 -4.930 1.427 1.427
613 2HZ LYS 81 HZ2 LYS 81 -6.121 2.462 2.462
614 3HZ LYS 81 HZ3 LYS 81 -5.304 2.679 2.679
615 H LYS 82 HN LYS 82 0.235 5.526 5.526
616 HA LYS 82 HA LYS 82 1.029 7.920 7.920
617 1HB LYS 82 HB2 LYS 82 3.581 7.624 7.624
618 2HB LYS 82 HB3 LYS 82 2.641 7.176 7.176
619 1HG LYS 82 HG2 LYS 82 2.728 4.856 4.856
620 2HG LYS 82 HG3 LYS 82 4.356 5.505 5.505
621 1HD LYS 82 HD2 LYS 82 4.675 4.691 4.691
622 2HD LYS 82 HD3 LYS 82 3.342 5.657 5.657
623 1HE LYS 82 HE2 LYS 82 1.896 3.876 3.876
624 2HE LYS 82 HE3 LYS 82 2.449 3.272 3.272
625 1HZ LYS 82 HZ3 LYS 82 4.552 2.857 2.857
626 2HZ LYS 82 HZ1 LYS 82 3.287 2.537 2.537
627 3HZ LYS 82 HZ2 LYS 82 3.452 1.728 1.728
628 H GLU 83 HN GLU 83 3.313 5.789 5.789
629 HA GLU 83 HA GLU 83 2.179 6.720 6.720
630 1HB GLU 83 HB2 GLU 83 5.158 7.084 7.084
631 2HB GLU 83 HB3 GLU 83 4.071 7.861 7.861
632 1HG GLU 83 HG2 GLU 83 4.442 9.599 9.599
633 2HG GLU 83 HG3 GLU 83 2.958 8.909 8.909
634 H TYR 84 HN TYR 84 2.923 5.448 5.448
635 HA TYR 84 HA TYR 84 4.443 3.053 3.053
636 1HB TYR 84 HB2 TYR 84 2.695 1.823 1.823
637 2HB TYR 84 HB3 TYR 84 2.028 2.497 2.497
638 HD1 TYR 84 HD2 TYR 84 2.664 3.656 3.656
639 HD2 TYR 84 HD1 TYR 84 -0.035 3.524 3.524
640 HE1 TYR 84 HE2 TYR 84 0.922 4.917 4.917
641 HE2 TYR 84 HE1 TYR 84 -1.767 4.786 4.786
642 HH TYR 84 HH TYR 84 -2.170 4.962 4.962
643 H LEU 85 HN LEU 85 5.473 1.966 1.966
644 HA LEU 85 HA LEU 85 6.256 3.890 3.890
645 1HB LEU 85 HB2 LEU 85 7.863 2.115 2.115
646 2HB LEU 85 HB3 LEU 85 8.008 2.678 2.678
647 HG LEU 85 HG LEU 85 8.156 0.123 0.123
648 1HD1 LEU 85 HD12 LEU 85 7.836 1.539 1.539
649 2HD1 LEU 85 HD13 LEU 85 6.418 0.464 0.464
650 3HD1 LEU 85 HD11 LEU 85 8.053 -0.227 -0.227
651 1HD2 LEU 85 HD23 LEU 85 6.020 0.008 0.008
652 2HD2 LEU 85 HD21 LEU 85 6.040 -1.069 -1.069
653 3HD2 LEU 85 HD22 LEU 85 5.159 0.476 0.476
654 H ILE 86 HN ILE 86 3.567 2.060 2.060
655 HA ILE 86 HA ILE 86 2.577 0.529 0.529
656 HB ILE 86 HB ILE 86 2.041 3.357 3.357
657 1HG1 ILE 86 HG12 ILE 86 -0.228 2.640 2.640
658 2HG1 ILE 86 HG13 ILE 86 0.129 1.053 1.053
659 1HG2 ILE 86 HG21 ILE 86 1.711 1.865 1.865
660 2HG2 ILE 86 HG22 ILE 86 0.534 3.114 3.114
661 3HG2 ILE 86 HG23 ILE 86 2.253 3.535 3.535
662 1HD1 ILE 86 HD11 ILE 86 1.878 1.603 1.603
663 2HD1 ILE 86 HD12 ILE 86 0.172 1.826 1.826
664 3HD1 ILE 86 HD13 ILE 86 0.716 0.273 0.273
665 H ALA 87 HN ALA 87 3.718 -0.850 -0.850
666 HA ALA 87 HA ALA 87 4.729 0.315 0.315
667 1HB ALA 87 HB2 ALA 87 6.225 -0.908 -0.908
668 2HB ALA 87 HB3 ALA 87 6.207 -2.042 -2.042
669 3HB ALA 87 HB1 ALA 87 6.802 -0.381 -0.381
670 H GLY 88 HN GLY 88 3.376 -0.389 -0.389
671 1HA GLY 88 HA1 GLY 88 2.757 -3.259 -3.259
672 2HA GLY 88 HA2 GLY 88 1.435 -2.109 -2.109
673 H LYS 89 HN LYS 89 1.453 -3.636 -3.636
674 HA LYS 89 HA LYS 89 3.154 -3.163 -3.163
675 1HB LYS 89 HB2 LYS 89 1.129 -4.748 -4.748
676 2HB LYS 89 HB3 LYS 89 0.171 -3.408 -3.408
677 1HG LYS 89 HG2 LYS 89 0.973 -3.624 -3.624
678 2HG LYS 89 HG3 LYS 89 2.626 -3.825 -3.825
679 1HD LYS 89 HD2 LYS 89 1.672 -5.863 -5.863
680 2HD LYS 89 HD3 LYS 89 2.294 -6.188 -6.188
681 1HE LYS 89 HE2 LYS 89 0.268 -6.985 -6.985
682 2HE LYS 89 HE3 LYS 89 -0.452 -5.417 -5.417
683 1HZ LYS 89 HZ3 LYS 89 0.059 -7.314 -7.314
684 2HZ LYS 89 HZ1 LYS 89 -1.325 -7.352 -7.352
685 3HZ LYS 89 HZ2 LYS 89 -0.942 -6.023 -6.023
686 H ALA 90 HN ALA 90 0.678 -1.024 -1.024
687 HA ALA 90 HA ALA 90 0.443 1.180 1.180
688 1HB ALA 90 HB1 ALA 90 2.998 0.967 0.967
689 2HB ALA 90 HB2 ALA 90 2.358 1.344 1.344
690 3HB ALA 90 HB3 ALA 90 2.101 2.480 2.480
691 H GLU 91 HN GLU 91 -0.274 2.831 2.831
692 HA GLU 91 HA GLU 91 -1.565 1.291 1.291
693 1HB GLU 91 HB2 GLU 91 -3.051 1.929 1.929
694 2HB GLU 91 HB3 GLU 91 -3.080 3.520 3.520
695 1HG GLU 91 HG2 GLU 91 -5.018 2.111 2.111
696 2HG GLU 91 HG3 GLU 91 -4.026 2.616 2.616
697 H GLY 92 HN GLY 92 0.690 3.508 3.508
698 1HA GLY 92 HA1 GLY 92 1.439 4.612 4.612
699 2HA GLY 92 HA2 GLY 92 -0.142 5.367 5.367
700 H ASP 93 HN ASP 93 -0.162 7.435 7.435
701 HA ASP 93 HA ASP 93 1.590 7.994 7.994
702 1HB ASP 93 HB2 ASP 93 0.995 9.941 9.941
703 2HB ASP 93 HB3 ASP 93 2.120 10.188 10.188
704 H GLY 94 HN GLY 94 0.686 9.584 9.584
705 1HA GLY 94 HA1 GLY 94 -0.904 10.861 10.861
706 2HA GLY 94 HA2 GLY 94 -1.740 10.978 10.978
707 H LYS 95 HN LYS 95 -1.189 7.697 7.697
708 HA LYS 95 HA LYS 95 -3.046 7.009 7.009
709 1HB LYS 95 HB2 LYS 95 -5.063 6.711 6.711
710 2HB LYS 95 HB3 LYS 95 -4.508 8.182 8.182
711 1HG LYS 95 HG2 LYS 95 -4.063 5.388 5.388
712 2HG LYS 95 HG3 LYS 95 -5.404 6.423 6.423
713 1HD LYS 95 HD2 LYS 95 -2.474 7.240 7.240
714 2HD LYS 95 HD3 LYS 95 -3.408 6.532 6.532
715 1HE LYS 95 HE2 LYS 95 -3.972 9.175 9.175
716 2HE LYS 95 HE3 LYS 95 -3.441 8.970 8.970
717 1HZ LYS 95 HZ1 LYS 95 -5.668 7.455 7.455
718 2HZ LYS 95 HZ2 LYS 95 -6.052 8.749 8.749
719 3HZ LYS 95 HZ3 LYS 95 -5.586 8.959 8.959
720 H MET 96 HN MET 96 -3.057 4.755 4.755
721 HA MET 96 HA MET 96 -1.883 3.143 3.143
722 1HB MET 96 HB2 MET 96 -0.385 2.192 2.192
723 2HB MET 96 HB3 MET 96 0.191 3.484 3.484
724 1HG MET 96 HG2 MET 96 0.092 5.028 5.028
725 2HG MET 96 HG3 MET 96 -1.506 4.508 4.508
726 1HE MET 96 HE3 MET 96 2.011 4.641 4.641
727 2HE MET 96 HE1 MET 96 1.574 5.019 5.019
728 3HE MET 96 HE2 MET 96 2.512 3.552 3.552
729 H HIS 97 HN HIS 97 -1.435 0.787 0.787
730 HA HIS 97 HA HIS 97 -4.007 0.357 0.357
731 1HB HIS 97 HB2 HIS 97 -3.146 -0.724 -0.724
732 2HB HIS 97 HB3 HIS 97 -3.247 -2.032 -2.032
733 HD1 HIS 97 HD1 HIS 97 -5.349 -3.013 -3.013
734 HD2 HIS 97 HD2 HIS 97 -5.871 0.862 0.862
735 HE1 HIS 97 HE1 HIS 97 -7.856 -2.550 -2.550
736 H ILE 98 HN ILE 98 -3.830 -0.634 -0.634
737 HA ILE 98 HA ILE 98 -1.443 -2.233 -2.233
738 HB ILE 98 HB ILE 98 -0.881 -1.102 -1.102
739 1HG1 ILE 98 HG12 ILE 98 -3.463 0.388 0.388
740 2HG1 ILE 98 HG13 ILE 98 -2.903 -0.485 -0.485
741 1HG2 ILE 98 HG22 ILE 98 -0.372 -0.096 -0.096
742 2HG2 ILE 98 HG23 ILE 98 -1.279 1.279 1.279
743 3HG2 ILE 98 HG21 ILE 98 0.181 0.685 0.685
744 1HD1 ILE 98 HD12 ILE 98 -1.067 1.694 1.694
745 2HD1 ILE 98 HD13 ILE 98 -2.708 2.269 2.269
746 3HD1 ILE 98 HD11 ILE 98 -1.794 1.329 1.329
747 H THR 99 HN THR 99 -1.782 -3.933 -3.933
748 HA THR 99 HA THR 99 -4.414 -4.066 -4.066
749 HB THR 99 HB THR 99 -4.253 -6.596 -6.596
750 HG1 THR 99 HG1 THR 99 -2.907 -4.763 -4.763
751 1HG2 THR 99 HG23 THR 99 -5.206 -4.107 -4.107
752 2HG2 THR 99 HG21 THR 99 -5.425 -5.741 -5.741
753 3HG2 THR 99 HG22 THR 99 -6.194 -5.302 -5.302
754 H LEU 100 HN LEU 100 -4.530 -5.973 -5.973
755 HA LEU 100 HA LEU 100 -2.392 -5.740 -5.740
756 1HB LEU 100 HB2 LEU 100 -3.644 -7.008 -7.008
757 2HB LEU 100 HB3 LEU 100 -4.880 -6.378 -6.378
758 HG LEU 100 HG LEU 100 -3.637 -9.081 -9.081
759 1HD1 LEU 100 HD12 LEU 100 -5.715 -8.339 -8.339
760 2HD1 LEU 100 HD13 LEU 100 -5.788 -9.915 -9.915
761 3HD1 LEU 100 HD11 LEU 100 -4.349 -9.473 -9.473
762 1HD2 LEU 100 HD21 LEU 100 -5.552 -7.497 -7.497
763 2HD2 LEU 100 HD22 LEU 100 -5.053 -9.169 -9.169
764 3HD2 LEU 100 HD23 LEU 100 -6.431 -8.862 -8.862
765 H CYS 101 HN CYS 101 -3.342 -8.399 -8.399
766 HA CYS 101 HA CYS 101 -1.237 -10.078 -10.078
767 1HB CYS 101 HB2 CYS 101 -3.366 -10.559 -10.559
768 2HB CYS 101 HB3 CYS 101 -2.486 -9.949 -9.949
769 H ASP 102 HN ASP 102 -1.349 -7.033 -7.033
770 HA ASP 102 HA ASP 102 0.988 -7.560 -7.560
771 1HB ASP 102 HB2 ASP 102 -1.094 -5.917 -5.917
772 2HB ASP 102 HB3 ASP 102 -0.116 -4.790 -4.790
773 H PHE 103 HN PHE 103 2.842 -5.789 -5.789
774 HA PHE 103 HA PHE 103 3.781 -5.889 -5.889
775 1HB PHE 103 HB2 PHE 103 5.330 -5.985 -5.985
776 2HB PHE 103 HB3 PHE 103 4.598 -4.585 -4.585
777 HD1 PHE 103 HD2 PHE 103 5.132 -4.316 -4.316
778 HD2 PHE 103 HD1 PHE 103 6.942 -3.741 -3.741
779 HE1 PHE 103 HE2 PHE 103 6.867 -2.837 -2.837
780 HE2 PHE 103 HE1 PHE 103 8.676 -2.262 -2.262
781 HZ PHE 103 HZ PHE 103 8.618 -1.828 -1.828
782 H ILE 104 HN ILE 104 3.088 -4.584 -4.584
783 HA ILE 104 HA ILE 104 3.146 -1.762 -1.762
784 HB ILE 104 HB ILE 104 0.694 -1.573 -1.573
785 1HG1 ILE 104 HG12 ILE 104 0.556 -4.244 -4.244
786 2HG1 ILE 104 HG13 ILE 104 0.359 -4.013 -4.013
787 1HG2 ILE 104 HG22 ILE 104 1.944 -1.159 -1.159
788 2HG2 ILE 104 HG23 ILE 104 0.669 -2.304 -2.304
789 3HG2 ILE 104 HG21 ILE 104 0.237 -0.778 -0.778
790 1HD1 ILE 104 HD13 ILE 104 -1.554 -2.414 -2.414
791 2HD1 ILE 104 HD11 ILE 104 -1.408 -2.870 -2.870
792 3HD1 ILE 104 HD12 ILE 104 -1.854 -4.095 -4.095
793 H VAL 105 HN VAL 105 3.714 -0.829 -0.829
794 HA VAL 105 HA VAL 105 2.950 -2.114 -2.114
795 HB VAL 105 HB VAL 105 5.642 -1.761 -1.761
796 1HG1 VAL 105 HG12 VAL 105 3.840 -3.686 -3.686
797 2HG1 VAL 105 HG13 VAL 105 4.734 -4.471 -4.471
798 3HG1 VAL 105 HG11 VAL 105 5.591 -3.963 -3.963
799 1HG2 VAL 105 HG22 VAL 105 5.278 -2.987 -2.987
800 2HG2 VAL 105 HG23 VAL 105 6.164 -1.497 -1.497
801 3HG2 VAL 105 HG21 VAL 105 6.772 -3.073 -3.073
802 HA PRO 106 HA PRO 106 3.115 2.011 2.011
803 1HB PRO 106 HB2 PRO 106 3.456 1.791 1.791
804 2HB PRO 106 HB3 PRO 106 1.910 1.563 1.563
805 1HG PRO 106 HG2 PRO 106 3.732 -0.473 -0.473
806 2HG PRO 106 HG3 PRO 106 2.032 -0.622 -0.622
807 1HD PRO 106 HD2 PRO 106 4.248 -1.633 -1.633
808 2HD PRO 106 HD3 PRO 106 2.556 -1.679 -1.679
809 H TRP 107 HN TRP 107 5.751 0.365 0.365
810 HA TRP 107 HA TRP 107 7.873 0.983 0.983
811 1HB TRP 107 HB2 TRP 107 6.915 3.219 3.219
812 2HB TRP 107 HB3 TRP 107 7.101 3.698 3.698
813 HD1 TRP 107 HD1 TRP 107 9.579 2.077 2.077
814 HE1 TRP 107 HE1 TRP 107 11.908 3.315 3.315
815 HE3 TRP 107 HE3 TRP 107 8.281 5.434 5.434
816 HZ2 TRP 107 HZ2 TRP 107 12.923 5.511 5.511
817 HZ3 TRP 107 HZ3 TRP 107 10.000 7.092 7.092
818 HH2 TRP 107 HH2 TRP 107 12.254 7.165 7.165
819 H ASP 108 HN ASP 108 6.516 2.573 2.573
820 HA ASP 108 HA ASP 108 8.790 1.983 1.983
821 1HB ASP 108 HB2 ASP 108 7.087 3.783 3.783
822 2HB ASP 108 HB3 ASP 108 5.937 2.537 2.537
823 H THR 109 HN THR 109 8.325 -0.442 -0.442
824 HA THR 109 HA THR 109 7.721 -2.129 -2.129
825 HB THR 109 HB THR 109 5.919 -3.369 -3.369
826 HG1 THR 109 HG1 THR 109 6.160 -0.685 -0.685
827 1HG2 THR 109 HG21 THR 109 5.418 -1.790 -1.790
828 2HG2 THR 109 HG22 THR 109 5.128 -0.527 -0.527
829 3HG2 THR 109 HG23 THR 109 4.114 -1.989 -1.989
830 H LEU 110 HN LEU 110 8.018 -2.087 -2.087
831 HA LEU 110 HA LEU 110 8.880 -4.018 -4.018
832 1HB LEU 110 HB2 LEU 110 11.132 -2.167 -2.167
833 2HB LEU 110 HB3 LEU 110 11.126 -3.256 -3.256
834 HG LEU 110 HG LEU 110 9.174 -0.966 -0.966
835 1HD1 LEU 110 HD13 LEU 110 11.849 -1.089 -1.089
836 2HD1 LEU 110 HD11 LEU 110 10.589 0.075 0.075
837 3HD1 LEU 110 HD12 LEU 110 11.250 0.102 0.102
838 1HD2 LEU 110 HD23 LEU 110 9.086 -3.201 -3.201
839 2HD2 LEU 110 HD21 LEU 110 8.117 -1.714 -1.714
840 3HD2 LEU 110 HD22 LEU 110 9.640 -1.857 -1.857
841 H SER 111 HN SER 111 11.940 -3.624 -3.624
842 HA SER 111 HA SER 111 12.088 -4.991 -4.991
843 1HB SER 111 HB2 SER 111 11.113 -6.908 -6.908
844 2HB SER 111 HB3 SER 111 12.335 -7.508 -7.508
845 HG SER 111 HG SER 111 9.846 -6.261 -6.261
846 H THR 112 HN THR 112 13.064 -5.293 -5.293
847 HA THR 112 HA THR 112 15.542 -4.358 -4.358
848 HB THR 112 HB THR 112 15.403 -6.960 -6.960
849 HG1 THR 112 HG1 THR 112 16.188 -4.920 -4.920
850 1HG2 THR 112 HG21 THR 112 17.429 -6.406 -6.406
851 2HG2 THR 112 HG22 THR 112 17.901 -7.305 -7.305
852 3HG2 THR 112 HG23 THR 112 16.623 -7.942 -7.942
853 H THR 113 HN THR 113 14.497 -7.710 -7.710
854 HA THR 113 HA THR 113 15.637 -7.719 -7.719
855 HB THR 113 HB THR 113 13.113 -9.001 -9.001
856 HG1 THR 113 HG1 THR 113 15.824 -9.844 -9.844
857 1HG2 THR 113 HG23 THR 113 14.514 -9.436 -9.436
858 2HG2 THR 113 HG21 THR 113 13.558 -10.713 -10.713
859 3HG2 THR 113 HG22 THR 113 12.775 -9.194 -9.194
860 H GLN 114 HN GLN 114 12.835 -5.894 -5.894
861 HA GLN 114 HA GLN 114 11.954 -5.437 -5.437
862 1HB GLN 114 HB2 GLN 114 11.046 -4.643 -4.643
863 2HB GLN 114 HB3 GLN 114 10.526 -3.643 -3.643
864 1HG GLN 114 HG2 GLN 114 8.832 -5.174 -5.174
865 2HG GLN 114 HG3 GLN 114 10.023 -6.126 -6.126
866 1HE2 GLN 114 HE22 GLN 114 10.871 -8.177 -8.177
867 2HE2 GLN 114 HE21 GLN 114 11.635 -7.233 -7.233
868 H LYS 115 HN LYS 115 13.977 -3.868 -3.868
869 HA LYS 115 HA LYS 115 14.013 -1.332 -1.332
870 1HB LYS 115 HB2 LYS 115 15.039 -2.544 -2.544
871 2HB LYS 115 HB3 LYS 115 16.285 -1.591 -1.591
872 1HG LYS 115 HG2 LYS 115 15.141 0.407 0.407
873 2HG LYS 115 HG3 LYS 115 13.567 -0.340 -0.340
874 1HD LYS 115 HD2 LYS 115 15.336 -0.283 -0.283
875 2HD LYS 115 HD3 LYS 115 13.696 0.310 0.310
876 1HE LYS 115 HE2 LYS 115 13.097 -2.206 -2.206
877 2HE LYS 115 HE3 LYS 115 14.649 -2.568 -2.568
878 1HZ LYS 115 HZ1 LYS 115 13.797 -1.112 -1.112
879 2HZ LYS 115 HZ2 LYS 115 12.314 -1.336 -1.336
880 3HZ LYS 115 HZ3 LYS 115 13.187 -2.620 -2.620
881 H LYS 116 HN LYS 116 16.065 -4.287 -4.287
882 HA LYS 116 HA LYS 116 18.127 -3.162 -3.162
883 1HB LYS 116 HB2 LYS 116 18.973 -5.353 -5.353
884 2HB LYS 116 HB3 LYS 116 18.182 -5.270 -5.270
885 1HG LYS 116 HG2 LYS 116 17.047 -7.139 -7.139
886 2HG LYS 116 HG3 LYS 116 16.099 -6.086 -6.086
887 1HD LYS 116 HD2 LYS 116 18.720 -6.932 -6.932
888 2HD LYS 116 HD3 LYS 116 17.574 -8.234 -8.234
889 1HE LYS 116 HE2 LYS 116 16.457 -7.602 -7.602
890 2HE LYS 116 HE3 LYS 116 16.089 -6.058 -6.058
891 1HZ LYS 116 HZ2 LYS 116 18.704 -6.520 -6.520
892 2HZ LYS 116 HZ3 LYS 116 17.427 -6.084 -6.084
893 3HZ LYS 116 HZ1 LYS 116 17.944 -5.102 -5.102
894 H SER 117 HN SER 117 14.859 -4.045 -4.045
895 HA SER 117 HA SER 117 15.496 -4.405 -4.405
896 1HB SER 117 HB2 SER 117 13.531 -5.464 -5.464
897 2HB SER 117 HB3 SER 117 12.641 -4.278 -4.278
898 HG SER 117 HG SER 117 13.334 -6.728 -6.728
899 H LEU 118 HN LEU 118 14.802 -1.891 -1.891
900 HA LEU 118 HA LEU 118 13.239 -0.259 -0.259
901 1HB LEU 118 HB2 LEU 118 14.643 0.177 0.177
902 2HB LEU 118 HB3 LEU 118 13.886 1.496 1.496
903 HG LEU 118 HG LEU 118 12.340 -0.996 -0.996
904 1HD1 LEU 118 HD11 LEU 118 13.546 0.587 0.587
905 2HD1 LEU 118 HD12 LEU 118 11.905 1.264 1.264
906 3HD1 LEU 118 HD13 LEU 118 12.129 -0.465 -0.465
907 1HD2 LEU 118 HD21 LEU 118 11.736 1.660 1.660
908 2HD2 LEU 118 HD22 LEU 118 10.903 0.100 0.100
909 3HD2 LEU 118 HD23 LEU 118 10.605 1.090 1.090
910 H ASN 119 HN ASN 119 16.661 -0.932 -0.932
911 HA ASN 119 HA ASN 119 17.416 1.440 1.440
912 1HB ASN 119 HB2 ASN 119 19.775 0.409 0.409
913 2HB ASN 119 HB3 ASN 119 18.920 0.887 0.887
914 1HD2 ASN 119 HD22 ASN 119 19.964 -2.979 -2.979
915 2HD2 ASN 119 HD21 ASN 119 20.318 -1.656 -1.656
916 H HIS 120 HN HIS 120 16.580 -1.892 -1.892
917 HA HIS 120 HA HIS 120 18.199 -2.153 -2.153
918 1HB HIS 120 HB2 HIS 120 16.768 -3.916 -3.916
919 2HB HIS 120 HB3 HIS 120 16.356 -4.271 -4.271
920 HD1 HIS 120 HD1 HIS 120 19.808 -2.970 -2.970
921 HD2 HIS 120 HD2 HIS 120 17.891 -6.685 -6.685
922 HE1 HIS 120 HE1 HIS 120 21.656 -4.703 -4.703
923 H ARG 121 HN ARG 121 16.535 0.107 0.107
924 HA ARG 121 HA ARG 121 15.052 1.090 1.090
925 1HB ARG 121 HB2 ARG 121 15.849 -1.247 -1.247
926 2HB ARG 121 HB3 ARG 121 14.462 -0.313 -0.313
927 1HG ARG 121 HG2 ARG 121 16.816 0.424 0.424
928 2HG ARG 121 HG3 ARG 121 15.722 1.669 1.669
929 1HD ARG 121 HD2 ARG 121 16.887 1.936 1.936
930 2HD ARG 121 HD3 ARG 121 17.658 0.367 0.367
931 HE ARG 121 HE ARG 121 19.368 1.354 1.354
932 1HH1 ARG 121 HH22 ARG 121 16.508 3.394 3.394
933 2HH1 ARG 121 HH21 ARG 121 17.313 4.649 4.649
934 1HH2 ARG 121 HH12 ARG 121 20.429 3.010 3.010
935 2HH2 ARG 121 HH11 ARG 121 19.557 4.429 4.429
936 H TYR 122 HN TYR 122 13.791 -1.898 -1.898
937 HA TYR 122 HA TYR 122 11.668 -2.100 -2.100
938 1HB TYR 122 HB2 TYR 122 9.956 -1.648 -1.648
939 2HB TYR 122 HB3 TYR 122 11.117 -0.343 -0.343
940 HD1 TYR 122 HD1 TYR 122 12.655 -0.226 -0.226
941 HD2 TYR 122 HD2 TYR 122 9.721 -3.324 -3.324
942 HE1 TYR 122 HE1 TYR 122 12.961 -0.778 -0.778
943 HE2 TYR 122 HE2 TYR 122 10.039 -3.867 -3.867
944 HH TYR 122 HH TYR 122 12.374 -2.037 -2.037
945 H GLN 123 HN GLN 123 14.020 -3.528 -3.528
946 HA GLN 123 HA GLN 123 13.232 -6.062 -6.062
947 1HB GLN 123 HB2 GLN 123 11.360 -5.573 -5.573
948 2HB GLN 123 HB3 GLN 123 12.560 -5.347 -5.347
949 1HG GLN 123 HG2 GLN 123 13.193 -7.832 -7.832
950 2HG GLN 123 HG3 GLN 123 11.456 -7.830 -7.830
951 1HE2 GLN 123 HE22 GLN 123 11.482 -7.952 -7.952
952 2HE2 GLN 123 HE21 GLN 123 10.579 -7.595 -7.595
953 H MET 124 HN MET 124 15.588 -4.631 -4.631
954 HA MET 124 HA MET 124 17.214 -4.941 -4.941
955 1HB MET 124 HB2 MET 124 17.359 -3.834 -3.834
956 2HB MET 124 HB3 MET 124 18.726 -4.920 -4.920
957 1HG MET 124 HG2 MET 124 18.281 -3.201 -3.201
958 2HG MET 124 HG3 MET 124 18.637 -2.295 -2.295
959 1HE MET 124 HE2 MET 124 20.733 -1.599 -1.599
960 2HE MET 124 HE3 MET 124 21.993 -2.759 -2.759
961 3HE MET 124 HE1 MET 124 20.354 -2.890 -2.890
962 H GLY 125 HN GLY 125 16.148 -7.373 -7.373
963 1HA GLY 125 HA1 GLY 125 16.626 -9.567 -9.567
964 2HA GLY 125 HA2 GLY 125 18.306 -9.139 -9.139
965 H CYS 126 HN CYS 126 16.030 -7.957 -7.957
966 HA CYS 126 HA CYS 126 17.333 -9.186 -9.186
967 1HB CYS 126 HB2 CYS 126 15.835 -8.152 -8.152
968 2HB CYS 126 HB3 CYS 126 15.656 -7.188 -7.188
969 H GLU 127 HN GLU 127 15.639 -10.547 -10.547
970 HA GLU 127 HA GLU 127 13.945 -12.361 -12.361
971 1HB GLU 127 HB2 GLU 127 16.068 -13.194 -13.194
972 2HB GLU 127 HB3 GLU 127 16.716 -13.520 -13.520
973 1HG GLU 127 HG2 GLU 127 14.448 -14.899 -14.899
974 2HG GLU 127 HG3 GLU 127 14.449 -14.908 -14.908
Start of MODEL 3
1 H CYS 1 HN CYS 1 -7.467 -9.838 -9.838
2 HA CYS 1 HA CYS 1 -8.365 -9.237 -9.237
3 1HB CYS 1 HB2 CYS 1 -10.570 -10.993 -10.993
4 2HB CYS 1 HB3 CYS 1 -10.770 -9.903 -9.903
5 H SER 2 HN SER 2 -8.296 -9.793 -9.793
6 HA SER 2 HA SER 2 -7.921 -10.986 -10.986
7 1HB SER 2 HB2 SER 2 -8.963 -13.565 -13.565
8 2HB SER 2 HB3 SER 2 -9.788 -12.215 -12.215
9 HG SER 2 HG SER 2 -10.521 -11.565 -11.565
10 H CYS 3 HN CYS 3 -6.318 -11.376 -11.376
11 HA CYS 3 HA CYS 3 -5.189 -13.899 -13.899
12 1HB CYS 3 HB2 CYS 3 -5.040 -12.072 -12.072
13 2HB CYS 3 HB3 CYS 3 -3.734 -11.392 -11.392
14 H SER 4 HN SER 4 -2.670 -14.175 -14.175
15 HA SER 4 HA SER 4 -2.340 -13.171 -13.171
16 1HB SER 4 HB2 SER 4 -0.929 -15.094 -15.094
17 2HB SER 4 HB3 SER 4 -2.386 -15.664 -15.664
18 HG SER 4 HG SER 4 -1.146 -16.490 -16.490
19 HA PRO 5 HA PRO 5 0.860 -10.752 -10.752
20 1HB PRO 5 HB2 PRO 5 1.290 -9.093 -9.093
21 2HB PRO 5 HB3 PRO 5 0.068 -8.791 -8.791
22 1HG PRO 5 HG2 PRO 5 -0.278 -9.771 -9.771
23 2HG PRO 5 HG3 PRO 5 -1.472 -9.069 -9.069
24 1HD PRO 5 HD2 PRO 5 -1.164 -11.847 -11.847
25 2HD PRO 5 HD3 PRO 5 -2.281 -11.157 -11.157
26 H VAL 6 HN VAL 6 2.910 -11.320 -11.320
27 HA VAL 6 HA VAL 6 4.492 -11.898 -11.898
28 HB VAL 6 HB VAL 6 3.327 -14.023 -14.023
29 1HG1 VAL 6 HG11 VAL 6 4.198 -13.326 -13.326
30 2HG1 VAL 6 HG12 VAL 6 4.814 -14.931 -14.931
31 3HG1 VAL 6 HG13 VAL 6 3.068 -14.596 -14.596
32 1HG2 VAL 6 HG22 VAL 6 6.222 -13.595 -13.595
33 2HG2 VAL 6 HG23 VAL 6 5.159 -14.719 -14.719
34 3HG2 VAL 6 HG21 VAL 6 5.793 -15.163 -15.163
35 H HIS 7 HN HIS 7 6.124 -13.455 -13.455
36 HA HIS 7 HA HIS 7 8.025 -12.831 -12.831
37 1HB HIS 7 HB2 HIS 7 7.362 -11.168 -11.168
38 2HB HIS 7 HB3 HIS 7 6.979 -12.877 -12.877
39 HD1 HIS 7 HD1 HIS 7 4.595 -13.404 -13.404
40 HD2 HIS 7 HD2 HIS 7 5.038 -9.591 -9.591
41 HE1 HIS 7 HE1 HIS 7 2.269 -12.354 -12.354
42 HA PRO 8 HA PRO 8 8.828 -9.019 -9.019
43 1HB PRO 8 HB2 PRO 8 11.113 -9.847 -9.847
44 2HB PRO 8 HB3 PRO 8 9.523 -9.984 -9.984
45 1HG PRO 8 HG2 PRO 8 11.207 -12.103 -12.103
46 2HG PRO 8 HG3 PRO 8 9.841 -12.267 -12.267
47 1HD PRO 8 HD2 PRO 8 9.850 -12.740 -12.740
48 2HD PRO 8 HD3 PRO 8 8.461 -12.790 -12.790
49 H GLN 9 HN GLN 9 10.044 -10.552 -10.552
50 HA GLN 9 HA GLN 9 11.782 -8.280 -8.280
51 1HB GLN 9 HB2 GLN 9 13.248 -10.147 -10.147
52 2HB GLN 9 HB3 GLN 9 12.545 -11.188 -11.188
53 1HG GLN 9 HG2 GLN 9 14.081 -10.429 -10.429
54 2HG GLN 9 HG3 GLN 9 13.346 -8.841 -8.841
55 1HE2 GLN 9 HE22 GLN 9 15.575 -7.677 -7.677
56 2HE2 GLN 9 HE21 GLN 9 13.884 -7.774 -7.774
57 H GLN 10 HN GLN 10 10.001 -11.143 -11.143
58 HA GLN 10 HA GLN 10 10.188 -10.379 -10.379
59 1HB GLN 10 HB2 GLN 10 7.841 -11.954 -11.954
60 2HB GLN 10 HB3 GLN 10 8.712 -12.169 -12.169
61 1HG GLN 10 HG2 GLN 10 10.773 -12.674 -12.674
62 2HG GLN 10 HG3 GLN 10 9.502 -13.025 -13.025
63 1HE2 GLN 10 HE22 GLN 10 8.121 -15.799 -15.799
64 2HE2 GLN 10 HE21 GLN 10 7.678 -14.409 -14.409
65 H ALA 11 HN ALA 11 8.702 -8.786 -8.786
66 HA ALA 11 HA ALA 11 6.324 -7.973 -7.973
67 1HB ALA 11 HB2 ALA 11 7.450 -7.809 -7.809
68 2HB ALA 11 HB3 ALA 11 6.651 -6.304 -6.304
69 3HB ALA 11 HB1 ALA 11 5.751 -7.840 -7.840
70 H PHE 12 HN PHE 12 9.614 -6.760 -6.760
71 HA PHE 12 HA PHE 12 9.001 -4.210 -4.210
72 1HB PHE 12 HB2 PHE 12 11.497 -5.569 -5.569
73 2HB PHE 12 HB3 PHE 12 11.525 -3.929 -3.929
74 HD1 PHE 12 HD1 PHE 12 9.107 -5.779 -5.779
75 HD2 PHE 12 HD2 PHE 12 11.692 -2.441 -2.441
76 HE1 PHE 12 HE1 PHE 12 8.372 -4.923 -4.923
77 HE2 PHE 12 HE2 PHE 12 10.957 -1.585 -1.585
78 HZ PHE 12 HZ PHE 12 9.306 -2.837 -2.837
79 H CYS 13 HN CYS 13 9.505 -7.229 -7.229
80 HA CYS 13 HA CYS 13 11.179 -6.213 -6.213
81 1HB CYS 13 HB2 CYS 13 10.913 -8.892 -8.892
82 2HB CYS 13 HB3 CYS 13 11.205 -8.846 -8.846
83 H ASN 14 HN ASN 14 8.011 -7.094 -7.094
84 HA ASN 14 HA ASN 14 7.184 -7.809 -7.809
85 1HB ASN 14 HB2 ASN 14 6.304 -8.480 -8.480
86 2HB ASN 14 HB3 ASN 14 4.992 -7.584 -7.584
87 1HD2 ASN 14 HD22 ASN 14 5.839 -11.410 -11.410
88 2HD2 ASN 14 HD21 ASN 14 6.639 -10.529 -10.529
89 H ALA 15 HN ALA 15 6.777 -5.350 -5.350
90 HA ALA 15 HA ALA 15 4.725 -3.861 -3.861
91 1HB ALA 15 HB3 ALA 15 7.141 -3.025 -3.025
92 2HB ALA 15 HB1 ALA 15 5.701 -2.015 -2.015
93 3HB ALA 15 HB2 ALA 15 5.555 -3.552 -3.552
94 H ASP 16 HN ASP 16 5.119 -1.459 -1.459
95 HA ASP 16 HA ASP 16 7.389 -1.331 -1.331
96 1HB ASP 16 HB2 ASP 16 4.549 -1.696 -1.696
97 2HB ASP 16 HB3 ASP 16 5.456 -0.469 -0.469
98 H VAL 17 HN VAL 17 5.813 -0.011 -0.011
99 HA VAL 17 HA VAL 17 6.471 2.660 2.660
100 HB VAL 17 HB VAL 17 4.322 2.392 2.392
101 1HG1 VAL 17 HG13 VAL 17 3.454 0.830 0.830
102 2HG1 VAL 17 HG11 VAL 17 2.833 2.372 2.372
103 3HG1 VAL 17 HG12 VAL 17 2.332 1.807 1.807
104 1HG2 VAL 17 HG22 VAL 17 5.217 4.540 4.540
105 2HG2 VAL 17 HG23 VAL 17 3.599 4.521 4.521
106 3HG2 VAL 17 HG21 VAL 17 3.775 4.286 4.286
107 H VAL 18 HN VAL 18 7.773 2.446 2.446
108 HA VAL 18 HA VAL 18 6.316 1.936 1.936
109 HB VAL 18 HB VAL 18 9.262 2.263 2.263
110 1HG1 VAL 18 HG12 VAL 18 7.209 1.020 1.020
111 2HG1 VAL 18 HG13 VAL 18 8.495 -0.145 -0.145
112 3HG1 VAL 18 HG11 VAL 18 8.903 1.393 1.393
113 1HG2 VAL 18 HG22 VAL 18 8.777 1.021 1.021
114 2HG2 VAL 18 HG23 VAL 18 9.707 0.079 0.079
115 3HG2 VAL 18 HG21 VAL 18 7.969 -0.233 -0.233
116 H ILE 19 HN ILE 19 5.680 3.633 3.633
117 HA ILE 19 HA ILE 19 7.363 5.994 5.994
118 HB ILE 19 HB ILE 19 5.626 7.520 7.520
119 1HG1 ILE 19 HG12 ILE 19 3.863 5.115 5.115
120 2HG1 ILE 19 HG13 ILE 19 3.612 6.741 6.741
121 1HG2 ILE 19 HG21 ILE 19 6.966 6.355 6.355
122 2HG2 ILE 19 HG22 ILE 19 5.496 5.404 5.404
123 3HG2 ILE 19 HG23 ILE 19 5.465 7.175 7.175
124 1HD1 ILE 19 HD13 ILE 19 3.519 7.456 7.456
125 2HD1 ILE 19 HD11 ILE 19 3.296 5.720 5.720
126 3HD1 ILE 19 HD12 ILE 19 2.118 6.595 6.595
127 H ARG 20 HN ARG 20 7.603 6.648 6.648
128 HA ARG 20 HA ARG 20 6.110 5.289 5.289
129 1HB ARG 20 HB2 ARG 20 7.989 7.670 7.670
130 2HB ARG 20 HB3 ARG 20 7.544 6.483 6.483
131 1HG ARG 20 HG2 ARG 20 8.886 4.802 4.802
132 2HG ARG 20 HG3 ARG 20 8.801 5.483 5.483
133 1HD ARG 20 HD2 ARG 20 11.049 5.718 5.718
134 2HD ARG 20 HD3 ARG 20 10.453 7.117 7.117
135 HE ARG 20 HE ARG 20 9.299 7.488 7.488
136 1HH1 ARG 20 HH22 ARG 20 12.601 6.708 6.708
137 2HH1 ARG 20 HH21 ARG 20 13.308 7.492 7.492
138 1HH2 ARG 20 HH12 ARG 20 10.231 8.522 8.522
139 2HH2 ARG 20 HH11 ARG 20 11.951 8.530 8.530
140 H THR 21 HN THR 21 4.385 6.834 6.834
141 HA THR 21 HA THR 21 3.794 9.378 9.378
142 HB THR 21 HB THR 21 3.039 8.642 8.642
143 HG1 THR 21 HG1 THR 21 1.631 9.993 9.993
144 1HG2 THR 21 HG22 THR 21 2.711 6.156 6.156
145 2HG2 THR 21 HG23 THR 21 1.114 6.710 6.710
146 3HG2 THR 21 HG21 THR 21 1.542 6.817 6.817
147 H LYS 22 HN LYS 22 1.659 9.970 9.970
148 HA LYS 22 HA LYS 22 1.139 8.034 8.034
149 1HB LYS 22 HB2 LYS 22 0.922 9.873 9.873
150 2HB LYS 22 HB3 LYS 22 2.500 9.925 9.925
151 1HG LYS 22 HG2 LYS 22 1.770 11.695 11.695
152 2HG LYS 22 HG3 LYS 22 0.115 11.562 11.562
153 1HD LYS 22 HD2 LYS 22 2.528 12.584 12.584
154 2HD LYS 22 HD3 LYS 22 1.082 13.473 13.473
155 1HE LYS 22 HE2 LYS 22 -0.230 11.759 11.759
156 2HE LYS 22 HE3 LYS 22 1.325 11.212 11.212
157 1HZ LYS 22 HZ3 LYS 22 1.475 13.883 13.883
158 2HZ LYS 22 HZ1 LYS 22 -0.090 13.597 13.597
159 3HZ LYS 22 HZ2 LYS 22 1.096 12.848 12.848
160 H ALA 23 HN ALA 23 -0.905 7.283 7.283
161 HA ALA 23 HA ALA 23 -2.863 8.746 8.746
162 1HB ALA 23 HB1 ALA 23 -2.526 6.341 6.341
163 2HB ALA 23 HB2 ALA 23 -2.911 5.979 5.979
164 3HB ALA 23 HB3 ALA 23 -4.163 6.650 6.650
165 H VAL 24 HN VAL 24 -3.775 10.407 10.407
166 HA VAL 24 HA VAL 24 -4.567 9.804 9.804
167 HB VAL 24 HB VAL 24 -4.767 12.355 12.355
168 1HG1 VAL 24 HG13 VAL 24 -2.260 10.722 10.722
169 2HG1 VAL 24 HG11 VAL 24 -2.111 12.491 12.491
170 3HG1 VAL 24 HG12 VAL 24 -3.026 11.579 11.579
171 1HG2 VAL 24 HG23 VAL 24 -4.580 12.470 12.470
172 2HG2 VAL 24 HG21 VAL 24 -3.720 13.686 13.686
173 3HG2 VAL 24 HG22 VAL 24 -2.828 12.315 12.315
174 H SER 25 HN SER 25 -5.630 10.855 10.855
175 HA SER 25 HA SER 25 -8.356 10.801 10.801
176 1HB SER 25 HB2 SER 25 -8.217 12.960 12.960
177 2HB SER 25 HB3 SER 25 -6.984 12.551 12.551
178 HG SER 25 HG SER 25 -9.023 13.026 13.026
179 H GLU 26 HN GLU 26 -10.014 10.103 10.103
180 HA GLU 26 HA GLU 26 -8.863 8.366 8.366
181 1HB GLU 26 HB2 GLU 26 -10.411 7.370 7.370
182 2HB GLU 26 HB3 GLU 26 -10.567 6.525 6.525
183 1HG GLU 26 HG2 GLU 26 -8.666 5.411 5.411
184 2HG GLU 26 HG3 GLU 26 -7.803 6.895 6.895
185 H LYS 27 HN LYS 27 -11.113 7.044 7.044
186 HA LYS 27 HA LYS 27 -13.339 8.856 8.856
187 1HB LYS 27 HB2 LYS 27 -11.810 9.917 9.917
188 2HB LYS 27 HB3 LYS 27 -11.690 8.415 8.415
189 1HG LYS 27 HG2 LYS 27 -13.846 8.584 8.584
190 2HG LYS 27 HG3 LYS 27 -14.465 9.427 9.427
191 1HD LYS 27 HD2 LYS 27 -14.239 10.813 10.813
192 2HD LYS 27 HD3 LYS 27 -13.578 11.526 11.526
193 1HE LYS 27 HE2 LYS 27 -11.308 10.904 10.904
194 2HE LYS 27 HE3 LYS 27 -11.873 9.881 9.881
195 1HZ LYS 27 HZ1 LYS 27 -12.427 12.758 12.758
196 2HZ LYS 27 HZ2 LYS 27 -11.086 12.143 12.143
197 3HZ LYS 27 HZ3 LYS 27 -12.563 11.743 11.743
198 H GLU 28 HN GLU 28 -15.050 7.527 7.527
199 HA GLU 28 HA GLU 28 -14.724 4.773 4.773
200 1HB GLU 28 HB2 GLU 28 -16.023 5.348 5.348
201 2HB GLU 28 HB3 GLU 28 -17.046 6.441 6.441
202 1HG GLU 28 HG2 GLU 28 -17.581 4.240 4.240
203 2HG GLU 28 HG3 GLU 28 -17.045 3.419 3.419
204 H VAL 29 HN VAL 29 -14.455 4.510 4.510
205 HA VAL 29 HA VAL 29 -16.625 5.559 5.559
206 HB VAL 29 HB VAL 29 -15.052 5.066 5.066
207 1HG1 VAL 29 HG13 VAL 29 -15.230 7.273 7.273
208 2HG1 VAL 29 HG11 VAL 29 -13.548 6.848 6.848
209 3HG1 VAL 29 HG12 VAL 29 -14.022 7.108 7.108
210 1HG2 VAL 29 HG21 VAL 29 -13.728 3.317 3.317
211 2HG2 VAL 29 HG22 VAL 29 -12.708 4.604 4.604
212 3HG2 VAL 29 HG23 VAL 29 -13.034 4.565 4.565
213 H ASP 30 HN ASP 30 -18.217 4.175 4.175
214 HA ASP 30 HA ASP 30 -18.161 1.528 1.528
215 1HB ASP 30 HB2 ASP 30 -19.869 3.258 3.258
216 2HB ASP 30 HB3 ASP 30 -20.037 1.531 1.531
217 H SER 31 HN SER 31 -18.286 -0.420 -0.420
218 HA SER 31 HA SER 31 -17.058 0.042 0.042
219 1HB SER 31 HB2 SER 31 -15.027 -0.457 -0.457
220 2HB SER 31 HB3 SER 31 -15.753 -1.338 -1.338
221 HG SER 31 HG SER 31 -15.846 -2.414 -2.414
222 H GLY 32 HN GLY 32 -19.698 -0.880 -0.880
223 1HA GLY 32 HA1 GLY 32 -21.347 -2.277 -2.277
224 2HA GLY 32 HA2 GLY 32 -20.265 -2.984 -2.984
225 H ASN 33 HN ASN 33 -21.809 -4.827 -4.827
226 HA ASN 33 HA ASN 33 -20.680 -5.786 -5.786
227 1HB ASN 33 HB2 ASN 33 -22.566 -7.327 -7.327
228 2HB ASN 33 HB3 ASN 33 -22.405 -7.477 -7.477
229 1HD2 ASN 33 HD22 ASN 33 -24.397 -4.705 -4.705
230 2HD2 ASN 33 HD21 ASN 33 -23.145 -5.794 -5.794
231 H ASP 34 HN ASP 34 -19.925 -8.193 -8.193
232 HA ASP 34 HA ASP 34 -18.142 -8.587 -8.587
233 1HB ASP 34 HB2 ASP 34 -17.662 -8.770 -8.770
234 2HB ASP 34 HB3 ASP 34 -18.271 -10.400 -10.400
235 H ILE 35 HN ILE 35 -17.845 -11.490 -11.490
236 HA ILE 35 HA ILE 35 -20.150 -12.347 -12.347
237 HB ILE 35 HB ILE 35 -17.660 -13.810 -13.810
238 1HG1 ILE 35 HG12 ILE 35 -17.094 -13.539 -13.539
239 2HG1 ILE 35 HG13 ILE 35 -18.372 -12.343 -12.343
240 1HG2 ILE 35 HG21 ILE 35 -20.106 -14.683 -14.683
241 2HG2 ILE 35 HG22 ILE 35 -18.569 -15.158 -15.158
242 3HG2 ILE 35 HG23 ILE 35 -18.905 -15.619 -15.619
243 1HD1 ILE 35 HD13 ILE 35 -16.298 -12.111 -12.111
244 2HD1 ILE 35 HD11 ILE 35 -15.884 -11.599 -11.599
245 3HD1 ILE 35 HD12 ILE 35 -17.242 -10.830 -10.830
246 H TYR 36 HN TYR 36 -19.672 -11.771 -11.771
247 HA TYR 36 HA TYR 36 -21.172 -14.158 -14.158
248 1HB TYR 36 HB2 TYR 36 -18.834 -13.104 -13.104
249 2HB TYR 36 HB3 TYR 36 -19.937 -12.060 -12.060
250 HD1 TYR 36 HD1 TYR 36 -19.808 -15.738 -15.738
251 HD2 TYR 36 HD2 TYR 36 -20.251 -12.704 -12.704
252 HE1 TYR 36 HE1 TYR 36 -20.092 -17.526 -17.526
253 HE2 TYR 36 HE2 TYR 36 -20.534 -14.501 -14.501
254 HH TYR 36 HH TYR 36 -20.425 -17.945 -17.945
255 H GLY 37 HN GLY 37 -21.701 -11.047 -11.047
256 1HA GLY 37 HA1 GLY 37 -23.710 -9.942 -9.942
257 2HA GLY 37 HA2 GLY 37 -24.262 -10.928 -10.928
258 H ASN 38 HN ASN 38 -21.264 -10.154 -10.154
259 HA ASN 38 HA ASN 38 -22.288 -8.140 -8.140
260 1HB ASN 38 HB2 ASN 38 -19.812 -8.146 -8.146
261 2HB ASN 38 HB3 ASN 38 -20.718 -9.632 -9.632
262 1HD2 ASN 38 HD22 ASN 38 -17.406 -10.489 -10.489
263 2HD2 ASN 38 HD21 ASN 38 -18.039 -9.737 -9.737
264 HA PRO 39 HA PRO 39 -20.697 -4.722 -4.722
265 1HB PRO 39 HB2 PRO 39 -20.315 -2.865 -2.865
266 2HB PRO 39 HB3 PRO 39 -21.885 -3.214 -3.214
267 1HG PRO 39 HG2 PRO 39 -20.809 -4.011 -4.011
268 2HG PRO 39 HG3 PRO 39 -22.476 -3.975 -3.975
269 1HD PRO 39 HD2 PRO 39 -20.813 -6.295 -6.295
270 2HD PRO 39 HD3 PRO 39 -22.441 -6.244 -6.244
271 H ILE 40 HN ILE 40 -18.861 -4.254 -4.254
272 HA ILE 40 HA ILE 40 -16.483 -5.311 -5.311
273 HB ILE 40 HB ILE 40 -17.082 -3.485 -3.485
274 1HG1 ILE 40 HG12 ILE 40 -16.452 -6.441 -6.441
275 2HG1 ILE 40 HG13 ILE 40 -17.977 -5.718 -5.718
276 1HG2 ILE 40 HG23 ILE 40 -14.438 -4.602 -4.602
277 2HG2 ILE 40 HG21 ILE 40 -14.736 -4.122 -4.122
278 3HG2 ILE 40 HG22 ILE 40 -14.864 -2.917 -2.917
279 1HD1 ILE 40 HD13 ILE 40 -16.392 -4.504 -4.504
280 2HD1 ILE 40 HD11 ILE 40 -15.435 -5.980 -5.980
281 3HD1 ILE 40 HD12 ILE 40 -17.124 -6.102 -6.102
282 H LYS 41 HN LYS 41 -16.933 -1.855 -1.855
283 HA LYS 41 HA LYS 41 -16.376 0.033 0.033
284 1HB LYS 41 HB2 LYS 41 -17.750 -0.736 -0.736
285 2HB LYS 41 HB3 LYS 41 -16.387 -1.602 -1.602
286 1HG LYS 41 HG2 LYS 41 -16.409 0.455 0.455
287 2HG LYS 41 HG3 LYS 41 -15.133 0.666 0.666
288 1HD LYS 41 HD2 LYS 41 -16.415 2.678 2.678
289 2HD LYS 41 HD3 LYS 41 -16.895 1.757 1.757
290 1HE LYS 41 HE2 LYS 41 -18.832 0.823 0.823
291 2HE LYS 41 HE3 LYS 41 -18.428 2.090 2.090
292 1HZ LYS 41 HZ2 LYS 41 -18.638 3.039 3.039
293 2HZ LYS 41 HZ3 LYS 41 -20.029 2.373 2.373
294 3HZ LYS 41 HZ1 LYS 41 -19.341 3.603 3.603
295 H ARG 42 HN ARG 42 -14.456 1.041 1.041
296 HA ARG 42 HA ARG 42 -12.115 -0.409 -0.409
297 1HB ARG 42 HB2 ARG 42 -11.189 1.019 1.019
298 2HB ARG 42 HB3 ARG 42 -11.539 -0.698 -0.698
299 1HG ARG 42 HG2 ARG 42 -13.960 -0.123 -0.123
300 2HG ARG 42 HG3 ARG 42 -13.450 1.540 1.540
301 1HD ARG 42 HD2 ARG 42 -11.601 0.479 0.479
302 2HD ARG 42 HD3 ARG 42 -12.691 -0.892 -0.892
303 HE ARG 42 HE ARG 42 -14.030 1.671 1.671
304 1HH1 ARG 42 HH22 ARG 42 -12.285 -1.006 -1.006
305 2HH1 ARG 42 HH21 ARG 42 -12.947 -0.735 -0.735
306 1HH2 ARG 42 HH12 ARG 42 -14.905 2.028 2.028
307 2HH2 ARG 42 HH11 ARG 42 -14.447 1.002 1.002
308 H ILE 43 HN ILE 43 -12.743 1.231 1.231
309 HA ILE 43 HA ILE 43 -12.778 3.876 3.876
310 HB ILE 43 HB ILE 43 -12.053 1.884 1.884
311 1HG1 ILE 43 HG12 ILE 43 -12.759 3.891 3.891
312 2HG1 ILE 43 HG13 ILE 43 -13.196 4.664 4.664
313 1HG2 ILE 43 HG23 ILE 43 -9.758 2.905 2.905
314 2HG2 ILE 43 HG21 ILE 43 -10.439 4.415 4.415
315 3HG2 ILE 43 HG22 ILE 43 -10.429 2.940 2.940
316 1HD1 ILE 43 HD13 ILE 43 -14.272 2.125 2.125
317 2HD1 ILE 43 HD11 ILE 43 -14.499 2.413 2.413
318 3HD1 ILE 43 HD12 ILE 43 -15.175 3.555 3.555
319 H GLN 44 HN GLN 44 -11.262 5.650 5.650
320 HA GLN 44 HA GLN 44 -8.995 5.037 5.037
321 1HB GLN 44 HB2 GLN 44 -10.353 7.641 7.641
322 2HB GLN 44 HB3 GLN 44 -8.863 7.607 7.607
323 1HG GLN 44 HG2 GLN 44 -11.607 6.610 6.610
324 2HG GLN 44 HG3 GLN 44 -10.555 7.722 7.722
325 1HE2 GLN 44 HE22 GLN 44 -10.141 3.634 3.634
326 2HE2 GLN 44 HE21 GLN 44 -11.129 4.387 4.387
327 H TYR 45 HN TYR 45 -7.049 6.795 6.795
328 HA TYR 45 HA TYR 45 -6.567 6.677 6.677
329 1HB TYR 45 HB2 TYR 45 -5.186 5.389 5.389
330 2HB TYR 45 HB3 TYR 45 -4.094 6.214 6.214
331 HD1 TYR 45 HD2 TYR 45 -5.750 5.637 5.637
332 HD2 TYR 45 HD1 TYR 45 -4.412 3.160 3.160
333 HE1 TYR 45 HE2 TYR 45 -5.768 3.613 3.613
334 HE2 TYR 45 HE1 TYR 45 -4.434 1.145 1.145
335 HH TYR 45 HH TYR 45 -5.271 0.392 0.392
336 H GLU 46 HN GLU 46 -7.317 9.018 9.018
337 HA GLU 46 HA GLU 46 -5.683 10.657 10.657
338 1HB GLU 46 HB2 GLU 46 -8.090 10.987 10.987
339 2HB GLU 46 HB3 GLU 46 -7.148 11.742 11.742
340 1HG GLU 46 HG2 GLU 46 -6.186 13.353 13.353
341 2HG GLU 46 HG3 GLU 46 -6.861 12.506 12.506
342 H ILE 47 HN ILE 47 -3.576 9.598 9.598
343 HA ILE 47 HA ILE 47 -2.706 10.197 10.197
344 HB ILE 47 HB ILE 47 -0.505 9.532 9.532
345 1HG1 ILE 47 HG12 ILE 47 -1.868 9.801 9.801
346 2HG1 ILE 47 HG13 ILE 47 -0.294 10.380 10.380
347 1HG2 ILE 47 HG21 ILE 47 -2.854 7.975 7.975
348 2HG2 ILE 47 HG22 ILE 47 -1.948 7.384 7.384
349 3HG2 ILE 47 HG23 ILE 47 -1.164 7.444 7.444
350 1HD1 ILE 47 HD12 ILE 47 -0.193 7.562 7.562
351 2HD1 ILE 47 HD13 ILE 47 -0.995 7.834 7.834
352 3HD1 ILE 47 HD11 ILE 47 0.618 8.523 8.523
353 H LYS 48 HN LYS 48 -0.255 11.416 11.416
354 HA LYS 48 HA LYS 48 -0.893 14.050 14.050
355 1HB LYS 48 HB2 LYS 48 -1.032 13.629 13.629
356 2HB LYS 48 HB3 LYS 48 0.708 13.806 13.806
357 1HG LYS 48 HG2 LYS 48 0.472 16.009 16.009
358 2HG LYS 48 HG3 LYS 48 -1.270 15.823 15.823
359 1HD LYS 48 HD2 LYS 48 0.487 16.354 16.354
360 2HD LYS 48 HD3 LYS 48 -1.001 17.150 17.150
361 1HE LYS 48 HE2 LYS 48 -2.125 14.805 14.805
362 2HE LYS 48 HE3 LYS 48 -0.657 14.443 14.443
363 1HZ LYS 48 HZ1 LYS 48 -1.090 16.598 16.598
364 2HZ LYS 48 HZ2 LYS 48 -2.586 16.579 16.579
365 3HZ LYS 48 HZ3 LYS 48 -2.114 15.372 15.372
366 H GLN 49 HN GLN 49 0.830 11.422 11.422
367 HA GLN 49 HA GLN 49 2.890 10.938 10.938
368 1HB GLN 49 HB2 GLN 49 2.172 13.453 13.453
369 2HB GLN 49 HB3 GLN 49 3.668 12.603 12.603
370 1HG GLN 49 HG2 GLN 49 1.016 11.119 11.119
371 2HG GLN 49 HG3 GLN 49 1.534 11.967 11.967
372 1HE2 GLN 49 HE21 GLN 49 4.211 11.603 11.603
373 2HE2 GLN 49 HE22 GLN 49 4.624 9.932 9.932
374 H ILE 50 HN ILE 50 4.506 10.959 10.959
375 HA ILE 50 HA ILE 50 5.663 13.587 13.587
376 HB ILE 50 HB ILE 50 5.701 13.070 13.070
377 1HG1 ILE 50 HG12 ILE 50 6.761 10.412 10.412
378 2HG1 ILE 50 HG13 ILE 50 7.551 11.658 11.658
379 1HG2 ILE 50 HG23 ILE 50 3.419 12.208 12.208
380 2HG2 ILE 50 HG21 ILE 50 4.056 10.607 10.607
381 3HG2 ILE 50 HG22 ILE 50 3.883 11.869 11.869
382 1HD1 ILE 50 HD12 ILE 50 5.991 11.188 11.188
383 2HD1 ILE 50 HD13 ILE 50 5.252 9.884 9.884
384 3HD1 ILE 50 HD11 ILE 50 6.955 9.763 9.763
385 H LYS 51 HN LYS 51 6.192 10.238 10.238
386 HA LYS 51 HA LYS 51 8.817 11.058 11.058
387 1HB LYS 51 HB2 LYS 51 8.580 9.633 9.633
388 2HB LYS 51 HB3 LYS 51 8.949 8.401 8.401
389 1HG LYS 51 HG2 LYS 51 11.014 9.385 9.385
390 2HG LYS 51 HG3 LYS 51 10.530 10.980 10.980
391 1HD LYS 51 HD2 LYS 51 10.365 9.447 9.447
392 2HD LYS 51 HD3 LYS 51 11.767 8.776 8.776
393 1HE LYS 51 HE2 LYS 51 12.634 11.165 11.165
394 2HE LYS 51 HE3 LYS 51 11.309 11.710 11.710
395 1HZ LYS 51 HZ1 LYS 51 13.029 9.573 9.573
396 2HZ LYS 51 HZ2 LYS 51 13.563 11.115 11.115
397 3HZ LYS 51 HZ3 LYS 51 12.190 10.686 10.686
398 H MET 52 HN MET 52 9.721 9.372 9.372
399 HA MET 52 HA MET 52 7.644 7.684 7.684
400 1HB MET 52 HB2 MET 52 8.011 8.603 8.603
401 2HB MET 52 HB3 MET 52 7.467 9.872 9.872
402 1HG MET 52 HG2 MET 52 10.170 10.110 10.110
403 2HG MET 52 HG3 MET 52 10.153 9.487 9.487
404 1HE MET 52 HE3 MET 52 10.410 12.322 12.322
405 2HE MET 52 HE1 MET 52 9.466 13.665 13.665
406 3HE MET 52 HE2 MET 52 8.666 12.445 12.445
407 H PHE 53 HN PHE 53 9.302 6.227 6.227
408 HA PHE 53 HA PHE 53 11.866 5.877 5.877
409 1HB PHE 53 HB2 PHE 53 9.460 4.123 4.123
410 2HB PHE 53 HB3 PHE 53 10.839 3.280 3.280
411 HD1 PHE 53 HD2 PHE 53 13.114 4.471 4.471
412 HD2 PHE 53 HD1 PHE 53 9.280 3.477 3.477
413 HE1 PHE 53 HE2 PHE 53 14.093 4.219 4.219
414 HE2 PHE 53 HE1 PHE 53 10.259 3.226 3.226
415 HZ PHE 53 HZ PHE 53 12.653 3.600 3.600
416 H LYS 54 HN LYS 54 9.625 3.806 3.806
417 HA LYS 54 HA LYS 54 11.225 4.500 4.500
418 1HB LYS 54 HB2 LYS 54 12.064 2.382 2.382
419 2HB LYS 54 HB3 LYS 54 10.447 1.738 1.738
420 1HG LYS 54 HG2 LYS 54 11.475 0.929 0.929
421 2HG LYS 54 HG3 LYS 54 10.035 1.875 1.875
422 1HD LYS 54 HD2 LYS 54 12.395 3.607 3.607
423 2HD LYS 54 HD3 LYS 54 12.638 2.313 2.313
424 1HE LYS 54 HE2 LYS 54 10.358 2.883 2.883
425 2HE LYS 54 HE3 LYS 54 10.297 4.274 4.274
426 1HZ LYS 54 HZ1 LYS 54 12.525 4.851 4.851
427 2HZ LYS 54 HZ2 LYS 54 12.187 3.756 3.756
428 3HZ LYS 54 HZ3 LYS 54 11.213 5.049 5.049
429 H GLY 55 HN GLY 55 9.389 6.070 6.070
430 1HA GLY 55 HA1 GLY 55 7.036 4.696 4.696
431 2HA GLY 55 HA2 GLY 55 6.923 6.164 6.164
432 HA PRO 56 HA PRO 56 7.352 7.484 7.484
433 1HB PRO 56 HB2 PRO 56 5.185 9.148 9.148
434 2HB PRO 56 HB3 PRO 56 5.127 7.472 7.472
435 1HG PRO 56 HG2 PRO 56 4.070 8.690 8.690
436 2HG PRO 56 HG3 PRO 56 3.665 7.147 7.147
437 1HD PRO 56 HD2 PRO 56 5.354 7.584 7.584
438 2HD PRO 56 HD3 PRO 56 5.042 6.053 6.053
439 H GLU 57 HN GLU 57 7.144 9.943 9.943
440 HA GLU 57 HA GLU 57 8.926 11.284 11.284
441 1HB GLU 57 HB2 GLU 57 8.219 12.429 12.429
442 2HB GLU 57 HB3 GLU 57 9.753 12.448 12.448
443 1HG GLU 57 HG2 GLU 57 9.822 9.884 9.884
444 2HG GLU 57 HG3 GLU 57 8.473 10.094 10.094
445 H LYS 58 HN LYS 58 5.677 11.526 11.526
446 HA LYS 58 HA LYS 58 5.253 14.221 14.221
447 1HB LYS 58 HB2 LYS 58 4.091 12.692 12.692
448 2HB LYS 58 HB3 LYS 58 3.008 12.303 12.303
449 1HG LYS 58 HG2 LYS 58 1.926 14.268 14.268
450 2HG LYS 58 HG3 LYS 58 3.395 15.138 15.138
451 1HD LYS 58 HD2 LYS 58 2.915 14.016 14.016
452 2HD LYS 58 HD3 LYS 58 2.330 15.601 15.601
453 1HE LYS 58 HE2 LYS 58 4.942 15.753 15.753
454 2HE LYS 58 HE3 LYS 58 5.127 14.685 14.685
455 1HZ LYS 58 HZ1 LYS 58 3.417 16.862 16.862
456 2HZ LYS 58 HZ2 LYS 58 4.891 17.374 17.374
457 3HZ LYS 58 HZ3 LYS 58 4.756 16.358 16.358
458 H ASP 59 HN ASP 59 3.364 11.335 11.335
459 HA ASP 59 HA ASP 59 3.931 10.969 10.969
460 1HB ASP 59 HB2 ASP 59 4.125 13.302 13.302
461 2HB ASP 59 HB3 ASP 59 2.583 13.697 13.697
462 H ILE 60 HN ILE 60 1.924 10.386 10.386
463 HA ILE 60 HA ILE 60 -0.350 9.851 9.851
464 HB ILE 60 HB ILE 60 0.199 8.310 8.310
465 1HG1 ILE 60 HG12 ILE 60 2.311 8.511 8.511
466 2HG1 ILE 60 HG13 ILE 60 1.797 6.925 6.925
467 1HG2 ILE 60 HG22 ILE 60 -1.928 8.066 8.066
468 2HG2 ILE 60 HG23 ILE 60 -0.966 7.455 7.455
469 3HG2 ILE 60 HG21 ILE 60 -0.990 6.564 6.564
470 1HD1 ILE 60 HD12 ILE 60 0.628 6.553 6.553
471 2HD1 ILE 60 HD13 ILE 60 1.169 8.156 8.156
472 3HD1 ILE 60 HD11 ILE 60 2.363 6.875 6.875
473 H GLU 61 HN GLU 61 0.030 9.811 9.811
474 HA GLU 61 HA GLU 61 -0.903 11.025 11.025
475 1HB GLU 61 HB2 GLU 61 -1.032 12.841 12.841
476 2HB GLU 61 HB3 GLU 61 -2.548 12.958 12.958
477 1HG GLU 61 HG2 GLU 61 -0.753 12.905 12.905
478 2HG GLU 61 HG3 GLU 61 0.202 13.715 13.715
479 H PHE 62 HN PHE 62 -2.507 9.408 9.408
480 HA PHE 62 HA PHE 62 -4.840 9.068 9.068
481 1HB PHE 62 HB2 PHE 62 -4.620 10.312 10.312
482 2HB PHE 62 HB3 PHE 62 -5.794 9.012 9.012
483 HD1 PHE 62 HD1 PHE 62 -7.657 9.138 9.138
484 HD2 PHE 62 HD2 PHE 62 -5.148 12.435 12.435
485 HE1 PHE 62 HE1 PHE 62 -9.352 10.703 10.703
486 HE2 PHE 62 HE2 PHE 62 -6.843 14.000 14.000
487 HZ PHE 62 HZ PHE 62 -8.925 13.115 13.115
488 H ILE 63 HN ILE 63 -4.202 6.954 6.954
489 HA ILE 63 HA ILE 63 -3.742 5.140 5.140
490 HB ILE 63 HB ILE 63 -3.402 4.330 4.330
491 1HG1 ILE 63 HG12 ILE 63 -2.254 6.714 6.714
492 2HG1 ILE 63 HG13 ILE 63 -1.807 5.790 5.790
493 1HG2 ILE 63 HG23 ILE 63 -2.068 3.692 3.692
494 2HG2 ILE 63 HG21 ILE 63 -1.401 3.182 3.182
495 3HG2 ILE 63 HG22 ILE 63 -3.011 2.617 2.617
496 1HD1 ILE 63 HD13 ILE 63 -0.703 5.085 5.085
497 2HD1 ILE 63 HD11 ILE 63 0.067 6.312 6.312
498 3HD1 ILE 63 HD12 ILE 63 -0.064 4.628 4.628
499 H TYR 64 HN TYR 64 -4.712 2.849 2.849
500 HA TYR 64 HA TYR 64 -7.455 3.199 3.199
501 1HB TYR 64 HB2 TYR 64 -6.190 1.779 1.779
502 2HB TYR 64 HB3 TYR 64 -7.800 1.347 1.347
503 HD1 TYR 64 HD1 TYR 64 -5.971 4.582 4.582
504 HD2 TYR 64 HD2 TYR 64 -9.474 2.236 2.236
505 HE1 TYR 64 HE1 TYR 64 -6.953 6.468 6.468
506 HE2 TYR 64 HE2 TYR 64 -10.444 4.129 4.129
507 HH TYR 64 HH TYR 64 -10.061 6.054 6.054
508 H THR 65 HN THR 65 -8.444 1.365 1.365
509 HA THR 65 HA THR 65 -7.021 -1.082 -1.082
510 HB THR 65 HB THR 65 -5.653 0.352 0.352
511 HG1 THR 65 HG1 THR 65 -6.356 -0.959 -0.959
512 1HG2 THR 65 HG21 THR 65 -8.399 1.059 1.059
513 2HG2 THR 65 HG22 THR 65 -7.057 0.914 0.914
514 3HG2 THR 65 HG23 THR 65 -6.961 2.095 2.095
515 H ALA 66 HN ALA 66 -8.193 -1.951 -1.951
516 HA ALA 66 HA ALA 66 -10.993 -1.964 -1.964
517 1HB ALA 66 HB3 ALA 66 -9.093 -3.968 -3.968
518 2HB ALA 66 HB1 ALA 66 -10.543 -3.958 -3.958
519 3HB ALA 66 HB2 ALA 66 -10.704 -4.186 -4.186
520 HA PRO 67 HA PRO 67 -12.130 0.095 0.095
521 1HB PRO 67 HB2 PRO 67 -14.714 -0.731 -0.731
522 2HB PRO 67 HB3 PRO 67 -14.241 0.521 0.521
523 1HG PRO 67 HG2 PRO 67 -15.007 -2.280 -2.280
524 2HG PRO 67 HG3 PRO 67 -14.947 -0.921 -0.921
525 1HD PRO 67 HD2 PRO 67 -13.035 -3.049 -3.049
526 2HD PRO 67 HD3 PRO 67 -12.918 -1.630 -1.630
527 H SER 68 HN SER 68 -13.929 -0.626 -0.626
528 HA SER 68 HA SER 68 -13.953 -1.669 -1.669
529 1HB SER 68 HB2 SER 68 -13.572 -3.765 -3.765
530 2HB SER 68 HB3 SER 68 -12.614 -4.171 -4.171
531 HG SER 68 HG SER 68 -14.471 -4.870 -4.870
532 H SER 69 HN SER 69 -12.082 -3.589 -3.589
533 HA SER 69 HA SER 69 -10.013 -1.727 -1.727
534 1HB SER 69 HB2 SER 69 -11.075 -3.066 -3.066
535 2HB SER 69 HB3 SER 69 -10.572 -4.554 -4.554
536 HG SER 69 HG SER 69 -8.329 -3.130 -3.130
537 H ALA 70 HN ALA 70 -10.088 -2.808 -2.808
538 HA ALA 70 HA ALA 70 -8.417 -3.221 -3.221
539 1HB ALA 70 HB1 ALA 70 -6.920 -2.875 -2.875
540 2HB ALA 70 HB2 ALA 70 -6.608 -4.598 -4.598
541 3HB ALA 70 HB3 ALA 70 -6.242 -3.382 -3.382
542 H VAL 71 HN VAL 71 -9.689 -4.708 -4.708
543 HA VAL 71 HA VAL 71 -9.594 -7.459 -7.459
544 HB VAL 71 HB VAL 71 -11.694 -7.760 -7.760
545 1HG1 VAL 71 HG13 VAL 71 -11.702 -5.698 -5.698
546 2HG1 VAL 71 HG11 VAL 71 -11.775 -4.728 -4.728
547 3HG1 VAL 71 HG12 VAL 71 -13.100 -5.847 -5.847
548 1HG2 VAL 71 HG21 VAL 71 -10.950 -5.970 -5.970
549 2HG2 VAL 71 HG22 VAL 71 -11.411 -7.689 -7.689
550 3HG2 VAL 71 HG23 VAL 71 -12.641 -6.439 -6.439
551 H CYS 72 HN CYS 72 -8.966 -5.281 -5.281
552 HA CYS 72 HA CYS 72 -7.575 -7.532 -7.532
553 1HB CYS 72 HB2 CYS 72 -8.844 -5.274 -5.274
554 2HB CYS 72 HB3 CYS 72 -8.183 -6.775 -6.775
555 H GLY 73 HN GLY 73 -7.109 -4.943 -4.943
556 1HA GLY 73 HA1 GLY 73 -4.571 -4.259 -4.259
557 2HA GLY 73 HA2 GLY 73 -5.705 -2.952 -2.952
558 H VAL 74 HN VAL 74 -4.226 -1.950 -1.950
559 HA VAL 74 HA VAL 74 -4.022 -3.425 -3.425
560 HB VAL 74 HB VAL 74 -2.236 -1.317 -1.317
561 1HG1 VAL 74 HG11 VAL 74 -2.159 -2.601 -2.601
562 2HG1 VAL 74 HG12 VAL 74 -0.794 -1.719 -1.719
563 3HG1 VAL 74 HG13 VAL 74 -2.323 -0.872 -0.872
564 1HG2 VAL 74 HG23 VAL 74 -2.205 -3.884 -3.884
565 2HG2 VAL 74 HG21 VAL 74 -0.696 -2.967 -2.967
566 3HG2 VAL 74 HG22 VAL 74 -1.297 -4.028 -4.028
567 H SER 75 HN SER 75 -5.843 -1.160 -1.160
568 HA SER 75 HA SER 75 -6.794 0.773 0.773
569 1HB SER 75 HB2 SER 75 -7.803 -1.486 -1.486
570 2HB SER 75 HB3 SER 75 -7.803 -0.204 -0.204
571 HG SER 75 HG SER 75 -9.727 0.134 0.134
572 H LEU 76 HN LEU 76 -4.916 2.150 2.150
573 HA LEU 76 HA LEU 76 -4.228 2.432 2.432
574 1HB LEU 76 HB2 LEU 76 -2.665 3.882 3.882
575 2HB LEU 76 HB3 LEU 76 -2.144 3.004 3.004
576 HG LEU 76 HG LEU 76 -2.966 0.941 0.941
577 1HD1 LEU 76 HD11 LEU 76 -2.989 3.090 3.090
578 2HD1 LEU 76 HD12 LEU 76 -1.433 2.285 2.285
579 3HD1 LEU 76 HD13 LEU 76 -2.952 1.363 1.363
580 1HD2 LEU 76 HD22 LEU 76 -0.536 1.986 1.986
581 2HD2 LEU 76 HD23 LEU 76 -0.900 0.322 0.322
582 3HD2 LEU 76 HD21 LEU 76 -0.238 1.494 1.494
583 H ASP 77 HN ASP 77 -4.462 4.412 4.412
584 HA ASP 77 HA ASP 77 -5.886 6.421 6.421
585 1HB ASP 77 HB2 ASP 77 -6.796 6.950 6.950
586 2HB ASP 77 HB3 ASP 77 -7.609 5.830 5.830
587 H VAL 78 HN VAL 78 -3.039 5.614 5.614
588 HA VAL 78 HA VAL 78 -1.291 6.767 6.767
589 HB VAL 78 HB VAL 78 -2.994 8.971 8.971
590 1HG1 VAL 78 HG11 VAL 78 -0.659 9.294 9.294
591 2HG1 VAL 78 HG12 VAL 78 -0.812 10.405 10.405
592 3HG1 VAL 78 HG13 VAL 78 -2.122 10.292 10.292
593 1HG2 VAL 78 HG22 VAL 78 -1.538 7.378 7.378
594 2HG2 VAL 78 HG23 VAL 78 -1.334 9.122 9.122
595 3HG2 VAL 78 HG21 VAL 78 -0.141 8.236 8.236
596 H GLY 79 HN GLY 79 -4.299 8.523 8.523
597 1HA GLY 79 HA1 GLY 79 -3.452 9.452 9.452
598 2HA GLY 79 HA2 GLY 79 -5.093 8.957 8.957
599 H GLY 80 HN GLY 80 -3.715 6.134 6.134
600 1HA GLY 80 HA1 GLY 80 -3.723 5.250 5.250
601 2HA GLY 80 HA2 GLY 80 -4.360 4.320 4.320
602 H LYS 81 HN LYS 81 -2.038 5.346 5.346
603 HA LYS 81 HA LYS 81 -0.018 3.528 3.528
604 1HB LYS 81 HB2 LYS 81 0.318 3.867 3.867
605 2HB LYS 81 HB3 LYS 81 -0.059 2.409 2.409
606 1HG LYS 81 HG2 LYS 81 -2.160 4.473 4.473
607 2HG LYS 81 HG3 LYS 81 -1.777 3.060 3.060
608 1HD LYS 81 HD2 LYS 81 -2.732 1.574 1.574
609 2HD LYS 81 HD3 LYS 81 -2.394 2.599 2.599
610 1HE LYS 81 HE2 LYS 81 -4.601 3.169 3.169
611 2HE LYS 81 HE3 LYS 81 -4.152 4.188 4.188
612 1HZ LYS 81 HZ1 LYS 81 -4.448 1.603 1.603
613 2HZ LYS 81 HZ2 LYS 81 -5.756 1.925 1.925
614 3HZ LYS 81 HZ3 LYS 81 -5.378 2.903 2.903
615 H LYS 82 HN LYS 82 0.347 5.697 5.697
616 HA LYS 82 HA LYS 82 1.269 7.973 7.973
617 1HB LYS 82 HB2 LYS 82 3.784 7.588 7.588
618 2HB LYS 82 HB3 LYS 82 2.791 7.046 7.046
619 1HG LYS 82 HG2 LYS 82 2.827 4.830 4.830
620 2HG LYS 82 HG3 LYS 82 4.456 5.466 5.466
621 1HD LYS 82 HD2 LYS 82 4.963 4.580 4.580
622 2HD LYS 82 HD3 LYS 82 3.705 5.539 5.539
623 1HE LYS 82 HE2 LYS 82 2.189 3.792 3.792
624 2HE LYS 82 HE3 LYS 82 2.731 3.152 3.152
625 1HZ LYS 82 HZ3 LYS 82 4.822 2.868 2.868
626 2HZ LYS 82 HZ1 LYS 82 3.489 2.361 2.361
627 3HZ LYS 82 HZ2 LYS 82 3.891 1.686 1.686
628 H GLU 83 HN GLU 83 2.781 5.351 5.351
629 HA GLU 83 HA GLU 83 1.982 6.563 6.563
630 1HB GLU 83 HB2 GLU 83 4.717 6.879 6.879
631 2HB GLU 83 HB3 GLU 83 3.553 8.169 8.169
632 1HG GLU 83 HG2 GLU 83 4.495 6.979 6.979
633 2HG GLU 83 HG3 GLU 83 5.782 7.705 7.705
634 H TYR 84 HN TYR 84 3.201 5.474 5.474
635 HA TYR 84 HA TYR 84 4.492 2.984 2.984
636 1HB TYR 84 HB2 TYR 84 2.719 1.754 1.754
637 2HB TYR 84 HB3 TYR 84 2.071 2.435 2.435
638 HD1 TYR 84 HD2 TYR 84 2.658 3.579 3.579
639 HD2 TYR 84 HD1 TYR 84 0.002 3.451 3.451
640 HE1 TYR 84 HE2 TYR 84 0.896 4.830 4.830
641 HE2 TYR 84 HE1 TYR 84 -1.752 4.702 4.702
642 HH TYR 84 HH TYR 84 -1.772 4.900 4.900
643 H LEU 85 HN LEU 85 5.503 1.936 1.936
644 HA LEU 85 HA LEU 85 6.215 3.883 3.883
645 1HB LEU 85 HB2 LEU 85 7.822 2.123 2.123
646 2HB LEU 85 HB3 LEU 85 8.007 2.692 2.692
647 HG LEU 85 HG LEU 85 8.167 0.137 0.137
648 1HD1 LEU 85 HD12 LEU 85 7.901 1.552 1.552
649 2HD1 LEU 85 HD13 LEU 85 6.494 0.468 0.468
650 3HD1 LEU 85 HD11 LEU 85 8.129 -0.212 -0.212
651 1HD2 LEU 85 HD23 LEU 85 6.020 -0.040 -0.040
652 2HD2 LEU 85 HD21 LEU 85 6.052 -1.067 -1.067
653 3HD2 LEU 85 HD22 LEU 85 5.175 0.481 0.481
654 H ILE 86 HN ILE 86 3.577 1.961 1.961
655 HA ILE 86 HA ILE 86 2.556 0.456 0.456
656 HB ILE 86 HB ILE 86 2.010 3.288 3.288
657 1HG1 ILE 86 HG12 ILE 86 -0.228 2.583 2.583
658 2HG1 ILE 86 HG13 ILE 86 0.065 1.006 1.006
659 1HG2 ILE 86 HG23 ILE 86 1.633 1.755 1.755
660 2HG2 ILE 86 HG21 ILE 86 0.434 2.977 2.977
661 3HG2 ILE 86 HG22 ILE 86 2.137 3.443 3.443
662 1HD1 ILE 86 HD13 ILE 86 1.913 1.523 1.523
663 2HD1 ILE 86 HD11 ILE 86 0.213 1.663 1.663
664 3HD1 ILE 86 HD12 ILE 86 0.796 0.159 0.159
665 H ALA 87 HN ALA 87 3.772 -0.908 -0.908
666 HA ALA 87 HA ALA 87 4.695 0.247 0.247
667 1HB ALA 87 HB3 ALA 87 6.132 -1.308 -1.308
668 2HB ALA 87 HB1 ALA 87 6.348 -1.904 -1.904
669 3HB ALA 87 HB2 ALA 87 6.764 -0.222 -0.222
670 H GLY 88 HN GLY 88 3.208 -0.446 -0.446
671 1HA GLY 88 HA1 GLY 88 2.670 -3.341 -3.341
672 2HA GLY 88 HA2 GLY 88 1.334 -2.206 -2.206
673 H LYS 89 HN LYS 89 1.674 -3.969 -3.969
674 HA LYS 89 HA LYS 89 3.222 -3.360 -3.360
675 1HB LYS 89 HB2 LYS 89 1.447 -5.128 -5.128
676 2HB LYS 89 HB3 LYS 89 0.248 -3.902 -3.902
677 1HG LYS 89 HG2 LYS 89 0.836 -3.772 -3.772
678 2HG LYS 89 HG3 LYS 89 2.550 -3.893 -3.893
679 1HD LYS 89 HD2 LYS 89 1.731 -6.428 -6.428
680 2HD LYS 89 HD3 LYS 89 0.572 -6.057 -6.057
681 1HE LYS 89 HE2 LYS 89 3.258 -5.210 -5.210
682 2HE LYS 89 HE3 LYS 89 3.264 -6.901 -6.901
683 1HZ LYS 89 HZ3 LYS 89 1.060 -6.779 -6.779
684 2HZ LYS 89 HZ1 LYS 89 1.943 -5.629 -5.629
685 3HZ LYS 89 HZ2 LYS 89 2.523 -7.150 -7.150
686 H ALA 90 HN ALA 90 0.605 -1.368 -1.368
687 HA ALA 90 HA ALA 90 0.301 0.838 0.838
688 1HB ALA 90 HB1 ALA 90 2.798 0.693 0.693
689 2HB ALA 90 HB2 ALA 90 1.979 1.018 1.018
690 3HB ALA 90 HB3 ALA 90 1.817 2.165 2.165
691 H GLU 91 HN GLU 91 -0.525 2.379 2.379
692 HA GLU 91 HA GLU 91 -2.033 0.648 0.648
693 1HB GLU 91 HB2 GLU 91 -3.305 1.582 1.582
694 2HB GLU 91 HB3 GLU 91 -3.349 3.082 3.082
695 1HG GLU 91 HG2 GLU 91 -4.667 0.441 0.441
696 2HG GLU 91 HG3 GLU 91 -5.350 2.054 2.054
697 H GLY 92 HN GLY 92 -0.780 3.919 3.919
698 1HA GLY 92 HA1 GLY 92 0.218 4.452 4.452
699 2HA GLY 92 HA2 GLY 92 -1.400 5.126 5.126
700 H ASP 93 HN ASP 93 -0.920 7.329 7.329
701 HA ASP 93 HA ASP 93 0.841 8.138 8.138
702 1HB ASP 93 HB2 ASP 93 -0.119 9.544 9.544
703 2HB ASP 93 HB3 ASP 93 0.717 10.404 10.404
704 H GLY 94 HN GLY 94 -0.073 9.275 9.275
705 1HA GLY 94 HA1 GLY 94 -1.537 10.657 10.657
706 2HA GLY 94 HA2 GLY 94 -2.556 10.732 10.732
707 H LYS 95 HN LYS 95 -1.881 7.484 7.484
708 HA LYS 95 HA LYS 95 -3.480 6.751 6.751
709 1HB LYS 95 HB2 LYS 95 -5.522 6.101 6.101
710 2HB LYS 95 HB3 LYS 95 -5.240 7.768 7.768
711 1HG LYS 95 HG2 LYS 95 -4.287 5.511 5.511
712 2HG LYS 95 HG3 LYS 95 -5.961 6.028 6.028
713 1HD LYS 95 HD2 LYS 95 -5.454 8.074 8.074
714 2HD LYS 95 HD3 LYS 95 -3.932 8.226 8.226
715 1HE LYS 95 HE2 LYS 95 -2.738 7.145 7.145
716 2HE LYS 95 HE3 LYS 95 -4.010 5.979 5.979
717 1HZ LYS 95 HZ1 LYS 95 -5.120 8.233 8.233
718 2HZ LYS 95 HZ2 LYS 95 -3.555 8.522 8.522
719 3HZ LYS 95 HZ3 LYS 95 -4.300 7.196 7.196
720 H MET 96 HN MET 96 -3.216 4.559 4.559
721 HA MET 96 HA MET 96 -2.040 2.998 2.998
722 1HB MET 96 HB2 MET 96 -0.876 2.367 2.367
723 2HB MET 96 HB3 MET 96 -0.049 2.715 2.715
724 1HG MET 96 HG2 MET 96 -0.796 5.228 5.228
725 2HG MET 96 HG3 MET 96 -0.937 4.641 4.641
726 1HE MET 96 HE2 MET 96 0.677 3.710 3.710
727 2HE MET 96 HE3 MET 96 2.435 3.970 3.970
728 3HE MET 96 HE1 MET 96 1.343 5.356 5.356
729 H HIS 97 HN HIS 97 -1.466 0.731 0.731
730 HA HIS 97 HA HIS 97 -4.081 0.128 0.128
731 1HB HIS 97 HB2 HIS 97 -2.964 -1.050 -1.050
732 2HB HIS 97 HB3 HIS 97 -3.510 -2.228 -2.228
733 HD1 HIS 97 HD1 HIS 97 -4.963 -1.778 -1.778
734 HD2 HIS 97 HD2 HIS 97 -6.110 -0.036 -0.036
735 HE1 HIS 97 HE1 HIS 97 -7.435 -1.193 -1.193
736 H ILE 98 HN ILE 98 -3.851 -0.831 -0.831
737 HA ILE 98 HA ILE 98 -1.453 -2.426 -2.426
738 HB ILE 98 HB ILE 98 -0.935 -1.319 -1.319
739 1HG1 ILE 98 HG12 ILE 98 -3.470 0.201 0.201
740 2HG1 ILE 98 HG13 ILE 98 -2.927 -0.586 -0.586
741 1HG2 ILE 98 HG22 ILE 98 -0.331 -0.369 -0.369
742 2HG2 ILE 98 HG23 ILE 98 -1.168 1.054 1.054
743 3HG2 ILE 98 HG21 ILE 98 0.244 0.376 0.376
744 1HD1 ILE 98 HD12 ILE 98 -1.016 1.475 1.475
745 2HD1 ILE 98 HD13 ILE 98 -2.658 2.153 2.153
746 3HD1 ILE 98 HD11 ILE 98 -1.934 1.315 1.315
747 H THR 99 HN THR 99 -1.737 -4.094 -4.094
748 HA THR 99 HA THR 99 -4.375 -4.278 -4.278
749 HB THR 99 HB THR 99 -4.174 -6.810 -6.810
750 HG1 THR 99 HG1 THR 99 -3.045 -6.733 -6.733
751 1HG2 THR 99 HG21 THR 99 -5.252 -4.314 -4.314
752 2HG2 THR 99 HG22 THR 99 -5.239 -5.839 -5.839
753 3HG2 THR 99 HG23 THR 99 -6.140 -5.730 -5.730
754 H LEU 100 HN LEU 100 -4.465 -6.121 -6.121
755 HA LEU 100 HA LEU 100 -2.321 -5.859 -5.859
756 1HB LEU 100 HB2 LEU 100 -3.535 -7.170 -7.170
757 2HB LEU 100 HB3 LEU 100 -4.780 -6.483 -6.483
758 HG LEU 100 HG LEU 100 -3.707 -9.105 -9.105
759 1HD1 LEU 100 HD11 LEU 100 -4.987 -8.705 -8.705
760 2HD1 LEU 100 HD12 LEU 100 -5.435 -10.136 -10.136
761 3HD1 LEU 100 HD13 LEU 100 -3.734 -9.861 -9.861
762 1HD2 LEU 100 HD22 LEU 100 -6.472 -7.894 -7.894
763 2HD2 LEU 100 HD23 LEU 100 -5.496 -8.095 -8.095
764 3HD2 LEU 100 HD21 LEU 100 -6.132 -9.525 -9.525
765 H CYS 101 HN CYS 101 -3.149 -8.365 -8.365
766 HA CYS 101 HA CYS 101 -1.107 -10.126 -10.126
767 1HB CYS 101 HB2 CYS 101 -3.236 -10.333 -10.333
768 2HB CYS 101 HB3 CYS 101 -2.016 -10.040 -10.040
769 H ASP 102 HN ASP 102 -1.308 -7.202 -7.202
770 HA ASP 102 HA ASP 102 1.135 -7.646 -7.646
771 1HB ASP 102 HB2 ASP 102 -0.932 -6.010 -6.010
772 2HB ASP 102 HB3 ASP 102 0.002 -4.883 -4.883
773 H PHE 103 HN PHE 103 2.980 -5.869 -5.869
774 HA PHE 103 HA PHE 103 3.862 -5.986 -5.986
775 1HB PHE 103 HB2 PHE 103 5.477 -6.038 -6.038
776 2HB PHE 103 HB3 PHE 103 4.714 -4.691 -4.691
777 HD1 PHE 103 HD2 PHE 103 5.222 -4.396 -4.396
778 HD2 PHE 103 HD1 PHE 103 6.951 -3.665 -3.665
779 HE1 PHE 103 HE2 PHE 103 6.871 -2.822 -2.822
780 HE2 PHE 103 HE1 PHE 103 8.600 -2.092 -2.092
781 HZ PHE 103 HZ PHE 103 8.540 -1.689 -1.689
782 H ILE 104 HN ILE 104 3.261 -4.668 -4.668
783 HA ILE 104 HA ILE 104 3.240 -1.855 -1.855
784 HB ILE 104 HB ILE 104 0.784 -1.721 -1.721
785 1HG1 ILE 104 HG12 ILE 104 0.697 -4.360 -4.360
786 2HG1 ILE 104 HG13 ILE 104 0.489 -4.171 -4.171
787 1HG2 ILE 104 HG23 ILE 104 2.032 -1.257 -1.257
788 2HG2 ILE 104 HG21 ILE 104 0.734 -2.375 -2.375
789 3HG2 ILE 104 HG22 ILE 104 0.336 -0.862 -0.862
790 1HD1 ILE 104 HD13 ILE 104 -1.421 -2.512 -2.512
791 2HD1 ILE 104 HD11 ILE 104 -1.312 -3.136 -3.136
792 3HD1 ILE 104 HD12 ILE 104 -1.728 -4.234 -4.234
793 H VAL 105 HN VAL 105 3.707 -0.882 -0.882
794 HA VAL 105 HA VAL 105 3.017 -2.227 -2.227
795 HB VAL 105 HB VAL 105 5.686 -1.778 -1.778
796 1HG1 VAL 105 HG11 VAL 105 4.218 -3.696 -3.696
797 2HG1 VAL 105 HG12 VAL 105 4.505 -4.428 -4.428
798 3HG1 VAL 105 HG13 VAL 105 5.867 -4.160 -4.160
799 1HG2 VAL 105 HG22 VAL 105 5.394 -2.964 -2.964
800 2HG2 VAL 105 HG23 VAL 105 6.207 -1.442 -1.442
801 3HG2 VAL 105 HG21 VAL 105 6.884 -2.999 -2.999
802 HA PRO 106 HA PRO 106 3.025 1.886 1.886
803 1HB PRO 106 HB2 PRO 106 3.414 1.659 1.659
804 2HB PRO 106 HB3 PRO 106 1.869 1.369 1.369
805 1HG PRO 106 HG2 PRO 106 3.797 -0.593 -0.593
806 2HG PRO 106 HG3 PRO 106 2.100 -0.815 -0.815
807 1HD PRO 106 HD2 PRO 106 4.336 -1.712 -1.712
808 2HD PRO 106 HD3 PRO 106 2.642 -1.831 -1.831
809 H TRP 107 HN TRP 107 5.726 0.365 0.365
810 HA TRP 107 HA TRP 107 7.814 1.083 1.083
811 1HB TRP 107 HB2 TRP 107 6.768 3.277 3.277
812 2HB TRP 107 HB3 TRP 107 6.917 3.743 3.743
813 HD1 TRP 107 HD1 TRP 107 9.496 2.281 2.281
814 HE1 TRP 107 HE1 TRP 107 11.756 3.639 3.639
815 HE3 TRP 107 HE3 TRP 107 7.994 5.529 5.529
816 HZ2 TRP 107 HZ2 TRP 107 12.643 5.868 5.868
817 HZ3 TRP 107 HZ3 TRP 107 9.618 7.265 7.265
818 HH2 TRP 107 HH2 TRP 107 11.873 7.466 7.466
819 H ASP 108 HN ASP 108 6.481 2.627 2.627
820 HA ASP 108 HA ASP 108 8.793 2.069 2.069
821 1HB ASP 108 HB2 ASP 108 6.814 3.760 3.760
822 2HB ASP 108 HB3 ASP 108 6.037 2.411 2.411
823 H THR 109 HN THR 109 8.387 -0.361 -0.361
824 HA THR 109 HA THR 109 7.827 -2.059 -2.059
825 HB THR 109 HB THR 109 6.077 -3.349 -3.349
826 HG1 THR 109 HG1 THR 109 6.213 -2.128 -2.128
827 1HG2 THR 109 HG23 THR 109 5.541 -1.893 -1.893
828 2HG2 THR 109 HG21 THR 109 5.174 -0.589 -0.589
829 3HG2 THR 109 HG22 THR 109 4.229 -2.098 -2.098
830 H LEU 110 HN LEU 110 8.114 -2.036 -2.036
831 HA LEU 110 HA LEU 110 9.042 -3.906 -3.906
832 1HB LEU 110 HB2 LEU 110 11.273 -2.072 -2.072
833 2HB LEU 110 HB3 LEU 110 11.289 -3.121 -3.121
834 HG LEU 110 HG LEU 110 9.360 -0.817 -0.817
835 1HD1 LEU 110 HD11 LEU 110 11.904 -0.323 -0.323
836 2HD1 LEU 110 HD12 LEU 110 11.627 -0.789 -0.789
837 3HD1 LEU 110 HD13 LEU 110 10.717 0.565 0.565
838 1HD2 LEU 110 HD22 LEU 110 9.250 -3.029 -3.029
839 2HD2 LEU 110 HD23 LEU 110 8.252 -1.556 -1.556
840 3HD2 LEU 110 HD21 LEU 110 9.749 -1.634 -1.634
841 H SER 111 HN SER 111 12.067 -3.539 -3.539
842 HA SER 111 HA SER 111 12.203 -4.929 -4.929
843 1HB SER 111 HB2 SER 111 11.224 -6.835 -6.835
844 2HB SER 111 HB3 SER 111 12.406 -7.446 -7.446
845 HG SER 111 HG SER 111 10.684 -7.769 -7.769
846 H THR 112 HN THR 112 13.170 -5.251 -5.251
847 HA THR 112 HA THR 112 15.659 -4.347 -4.347
848 HB THR 112 HB THR 112 15.492 -6.976 -6.976
849 HG1 THR 112 HG1 THR 112 16.202 -4.730 -4.730
850 1HG2 THR 112 HG21 THR 112 17.720 -6.277 -6.277
851 2HG2 THR 112 HG22 THR 112 17.904 -7.453 -7.453
852 3HG2 THR 112 HG23 THR 112 16.739 -7.761 -7.761
853 H THR 113 HN THR 113 14.473 -7.655 -7.655
854 HA THR 113 HA THR 113 15.641 -7.714 -7.714
855 HB THR 113 HB THR 113 13.027 -8.904 -8.904
856 HG1 THR 113 HG1 THR 113 14.589 -10.698 -10.698
857 1HG2 THR 113 HG21 THR 113 13.452 -8.907 -8.907
858 2HG2 THR 113 HG22 THR 113 14.727 -10.082 -10.082
859 3HG2 THR 113 HG23 THR 113 13.031 -10.432 -10.432
860 H GLN 114 HN GLN 114 12.867 -5.833 -5.833
861 HA GLN 114 HA GLN 114 12.021 -5.347 -5.347
862 1HB GLN 114 HB2 GLN 114 11.099 -4.542 -4.542
863 2HB GLN 114 HB3 GLN 114 10.599 -3.544 -3.544
864 1HG GLN 114 HG2 GLN 114 8.877 -5.077 -5.077
865 2HG GLN 114 HG3 GLN 114 10.029 -5.958 -5.958
866 1HE2 GLN 114 HE22 GLN 114 11.070 -8.147 -8.147
867 2HE2 GLN 114 HE21 GLN 114 11.761 -7.105 -7.105
868 H LYS 115 HN LYS 115 14.014 -3.805 -3.805
869 HA LYS 115 HA LYS 115 14.116 -1.274 -1.274
870 1HB LYS 115 HB2 LYS 115 15.159 -2.530 -2.530
871 2HB LYS 115 HB3 LYS 115 16.325 -1.458 -1.458
872 1HG LYS 115 HG2 LYS 115 15.006 0.436 0.436
873 2HG LYS 115 HG3 LYS 115 13.501 -0.450 -0.450
874 1HD LYS 115 HD2 LYS 115 15.360 -0.315 -0.315
875 2HD LYS 115 HD3 LYS 115 13.694 0.221 0.221
876 1HE LYS 115 HE2 LYS 115 13.145 -2.292 -2.292
877 2HE LYS 115 HE3 LYS 115 14.747 -2.629 -2.629
878 1HZ LYS 115 HZ1 LYS 115 13.961 -1.230 -1.230
879 2HZ LYS 115 HZ2 LYS 115 12.453 -1.518 -1.518
880 3HZ LYS 115 HZ3 LYS 115 13.418 -2.765 -2.765
881 H LYS 116 HN LYS 116 16.131 -4.255 -4.255
882 HA LYS 116 HA LYS 116 18.258 -3.176 -3.176
883 1HB LYS 116 HB2 LYS 116 19.054 -5.378 -5.378
884 2HB LYS 116 HB3 LYS 116 18.182 -5.315 -5.315
885 1HG LYS 116 HG2 LYS 116 17.027 -7.131 -7.131
886 2HG LYS 116 HG3 LYS 116 16.179 -6.037 -6.037
887 1HD LYS 116 HD2 LYS 116 18.851 -6.961 -6.961
888 2HD LYS 116 HD3 LYS 116 17.627 -8.210 -8.210
889 1HE LYS 116 HE2 LYS 116 16.717 -7.481 -7.481
890 2HE LYS 116 HE3 LYS 116 16.325 -5.955 -5.955
891 1HZ LYS 116 HZ3 LYS 116 18.633 -5.269 -5.269
892 2HZ LYS 116 HZ1 LYS 116 18.812 -6.628 -6.628
893 3HZ LYS 116 HZ2 LYS 116 17.701 -5.511 -5.511
894 H SER 117 HN SER 117 14.993 -4.011 -4.011
895 HA SER 117 HA SER 117 15.710 -4.326 -4.326
896 1HB SER 117 HB2 SER 117 13.658 -5.344 -5.344
897 2HB SER 117 HB3 SER 117 12.837 -4.126 -4.126
898 HG SER 117 HG SER 117 13.662 -6.608 -6.608
899 H LEU 118 HN LEU 118 14.982 -1.826 -1.826
900 HA LEU 118 HA LEU 118 13.502 -0.128 -0.128
901 1HB LEU 118 HB2 LEU 118 14.979 0.246 0.246
902 2HB LEU 118 HB3 LEU 118 14.267 1.601 1.601
903 HG LEU 118 HG LEU 118 12.786 -0.823 -0.823
904 1HD1 LEU 118 HD13 LEU 118 13.478 1.777 1.777
905 2HD1 LEU 118 HD11 LEU 118 11.733 1.429 1.429
906 3HD1 LEU 118 HD12 LEU 118 12.886 0.291 0.291
907 1HD2 LEU 118 HD23 LEU 118 11.844 1.540 1.540
908 2HD2 LEU 118 HD21 LEU 118 11.609 -0.198 -0.198
909 3HD2 LEU 118 HD22 LEU 118 10.747 0.592 0.592
910 H ASN 119 HN ASN 119 16.927 -0.870 -0.870
911 HA ASN 119 HA ASN 119 17.689 1.439 1.439
912 1HB ASN 119 HB2 ASN 119 20.004 0.741 0.741
913 2HB ASN 119 HB3 ASN 119 19.049 0.728 0.728
914 1HD2 ASN 119 HD22 ASN 119 19.602 -2.596 -2.596
915 2HD2 ASN 119 HD21 ASN 119 19.101 -1.004 -1.004
916 H HIS 120 HN HIS 120 16.358 -1.491 -1.491
917 HA HIS 120 HA HIS 120 18.220 -2.369 -2.369
918 1HB HIS 120 HB2 HIS 120 16.069 -3.505 -3.505
919 2HB HIS 120 HB3 HIS 120 15.655 -3.636 -3.636
920 HD1 HIS 120 HD1 HIS 120 18.945 -4.160 -4.160
921 HD2 HIS 120 HD2 HIS 120 16.494 -6.063 -6.063
922 HE1 HIS 120 HE1 HIS 120 20.108 -6.352 -6.352
923 H ARG 121 HN ARG 121 16.446 0.314 0.314
924 HA ARG 121 HA ARG 121 15.615 1.676 1.676
925 1HB ARG 121 HB2 ARG 121 17.429 0.065 0.065
926 2HB ARG 121 HB3 ARG 121 16.017 0.359 0.359
927 1HG ARG 121 HG2 ARG 121 17.517 2.564 2.564
928 2HG ARG 121 HG3 ARG 121 17.841 2.131 2.131
929 1HD ARG 121 HD2 ARG 121 14.959 2.565 2.565
930 2HD ARG 121 HD3 ARG 121 15.925 3.983 3.983
931 HE ARG 121 HE ARG 121 15.429 2.835 2.835
932 1HH1 ARG 121 HH22 ARG 121 17.703 4.746 4.746
933 2HH1 ARG 121 HH21 ARG 121 18.381 5.539 5.539
934 1HH2 ARG 121 HH12 ARG 121 16.322 3.882 3.882
935 2HH2 ARG 121 HH11 ARG 121 17.590 5.045 5.045
936 H TYR 122 HN TYR 122 15.145 -1.421 -1.421
937 HA TYR 122 HA TYR 122 12.398 -1.613 -1.613
938 1HB TYR 122 HB2 TYR 122 11.465 -0.768 -0.768
939 2HB TYR 122 HB3 TYR 122 12.797 0.346 0.346
940 HD1 TYR 122 HD1 TYR 122 14.980 -0.068 -0.068
941 HD2 TYR 122 HD2 TYR 122 11.356 -2.152 -2.152
942 HE1 TYR 122 HE1 TYR 122 15.909 -0.699 -0.699
943 HE2 TYR 122 HE2 TYR 122 12.298 -2.776 -2.776
944 HH TYR 122 HH TYR 122 14.244 -2.963 -2.963
945 H GLN 123 HN GLN 123 12.845 -3.789 -3.789
946 HA GLN 123 HA GLN 123 13.250 -5.895 -5.895
947 1HB GLN 123 HB2 GLN 123 11.262 -5.761 -5.761
948 2HB GLN 123 HB3 GLN 123 12.192 -5.170 -5.170
949 1HG GLN 123 HG2 GLN 123 13.457 -7.599 -7.599
950 2HG GLN 123 HG3 GLN 123 11.734 -7.923 -7.923
951 1HE2 GLN 123 HE22 GLN 123 11.583 -8.471 -8.471
952 2HE2 GLN 123 HE21 GLN 123 11.137 -8.884 -8.884
953 H MET 124 HN MET 124 15.613 -4.747 -4.747
954 HA MET 124 HA MET 124 17.109 -4.898 -4.898
955 1HB MET 124 HB2 MET 124 17.431 -4.020 -4.020
956 2HB MET 124 HB3 MET 124 18.754 -5.115 -5.115
957 1HG MET 124 HG2 MET 124 18.059 -2.958 -2.958
958 2HG MET 124 HG3 MET 124 18.976 -2.529 -2.529
959 1HE MET 124 HE3 MET 124 20.921 -3.046 -3.046
960 2HE MET 124 HE1 MET 124 21.712 -4.609 -4.609
961 3HE MET 124 HE2 MET 124 22.249 -3.147 -3.147
962 H GLY 125 HN GLY 125 15.934 -7.288 -7.288
963 1HA GLY 125 HA1 GLY 125 16.286 -9.500 -9.500
964 2HA GLY 125 HA2 GLY 125 18.000 -9.141 -9.141
965 H CYS 126 HN CYS 126 15.888 -8.172 -8.172
966 HA CYS 126 HA CYS 126 17.463 -9.390 -9.390
967 1HB CYS 126 HB2 CYS 126 16.018 -8.553 -8.553
968 2HB CYS 126 HB3 CYS 126 15.611 -7.550 -7.550
969 H GLU 127 HN GLU 127 15.779 -10.894 -10.894
970 HA GLU 127 HA GLU 127 14.284 -12.828 -12.828
971 1HB GLU 127 HB2 GLU 127 16.465 -13.469 -13.469
972 2HB GLU 127 HB3 GLU 127 17.144 -13.745 -13.745
973 1HG GLU 127 HG2 GLU 127 16.460 -15.910 -15.910
974 2HG GLU 127 HG3 GLU 127 15.026 -15.335 -15.335
Start of MODEL 4
1 H CYS 1 HN CYS 1 -12.022 -10.144 -10.144
2 HA CYS 1 HA CYS 1 -10.914 -12.368 -12.368
3 1HB CYS 1 HB2 CYS 1 -8.819 -11.679 -11.679
4 2HB CYS 1 HB3 CYS 1 -10.061 -10.737 -10.737
5 H SER 2 HN SER 2 -8.537 -12.737 -12.737
6 HA SER 2 HA SER 2 -8.297 -11.346 -11.346
7 1HB SER 2 HB2 SER 2 -9.699 -13.945 -13.945
8 2HB SER 2 HB3 SER 2 -8.358 -13.953 -13.953
9 HG SER 2 HG SER 2 -9.328 -11.873 -11.873
10 H CYS 3 HN CYS 3 -6.693 -11.809 -11.809
11 HA CYS 3 HA CYS 3 -4.921 -13.856 -13.856
12 1HB CYS 3 HB2 CYS 3 -5.184 -11.508 -11.508
13 2HB CYS 3 HB3 CYS 3 -3.641 -11.298 -11.298
14 H SER 4 HN SER 4 -2.464 -13.600 -13.600
15 HA SER 4 HA SER 4 -2.413 -12.333 -12.333
16 1HB SER 4 HB2 SER 4 -0.963 -14.145 -14.145
17 2HB SER 4 HB3 SER 4 -2.446 -14.819 -14.819
18 HG SER 4 HG SER 4 0.169 -14.769 -14.769
19 HA PRO 5 HA PRO 5 0.960 -10.226 -10.226
20 1HB PRO 5 HB2 PRO 5 1.569 -8.581 -8.581
21 2HB PRO 5 HB3 PRO 5 0.319 -8.217 -8.217
22 1HG PRO 5 HG2 PRO 5 0.027 -9.156 -9.156
23 2HG PRO 5 HG3 PRO 5 -1.165 -8.392 -8.392
24 1HD PRO 5 HD2 PRO 5 -0.994 -11.180 -11.180
25 2HD PRO 5 HD3 PRO 5 -2.113 -10.433 -10.433
26 H VAL 6 HN VAL 6 2.841 -11.158 -11.158
27 HA VAL 6 HA VAL 6 4.486 -11.794 -11.794
28 HB VAL 6 HB VAL 6 3.199 -13.816 -13.816
29 1HG1 VAL 6 HG11 VAL 6 3.963 -12.996 -12.996
30 2HG1 VAL 6 HG12 VAL 6 4.695 -14.587 -14.587
31 3HG1 VAL 6 HG13 VAL 6 2.936 -14.366 -14.366
32 1HG2 VAL 6 HG23 VAL 6 6.080 -13.545 -13.545
33 2HG2 VAL 6 HG21 VAL 6 4.971 -14.751 -14.751
34 3HG2 VAL 6 HG22 VAL 6 5.652 -15.000 -15.000
35 H HIS 7 HN HIS 7 6.030 -13.304 -13.304
36 HA HIS 7 HA HIS 7 7.971 -12.709 -12.709
37 1HB HIS 7 HB2 HIS 7 7.345 -10.978 -10.978
38 2HB HIS 7 HB3 HIS 7 6.961 -12.687 -12.687
39 HD1 HIS 7 HD1 HIS 7 4.597 -13.155 -13.155
40 HD2 HIS 7 HD2 HIS 7 4.996 -9.471 -9.471
41 HE1 HIS 7 HE1 HIS 7 2.268 -12.114 -12.114
42 HA PRO 8 HA PRO 8 8.912 -8.980 -8.980
43 1HB PRO 8 HB2 PRO 8 11.257 -9.862 -9.862
44 2HB PRO 8 HB3 PRO 8 9.705 -10.032 -10.032
45 1HG PRO 8 HG2 PRO 8 11.322 -12.094 -12.094
46 2HG PRO 8 HG3 PRO 8 10.013 -12.307 -12.307
47 1HD PRO 8 HD2 PRO 8 9.878 -12.654 -12.654
48 2HD PRO 8 HD3 PRO 8 8.544 -12.753 -12.753
49 H GLN 9 HN GLN 9 10.154 -10.526 -10.526
50 HA GLN 9 HA GLN 9 11.767 -8.167 -8.167
51 1HB GLN 9 HB2 GLN 9 13.343 -9.933 -9.933
52 2HB GLN 9 HB3 GLN 9 12.623 -11.054 -11.054
53 1HG GLN 9 HG2 GLN 9 14.016 -10.293 -10.293
54 2HG GLN 9 HG3 GLN 9 13.274 -8.710 -8.710
55 1HE2 GLN 9 HE21 GLN 9 13.945 -7.708 -7.708
56 2HE2 GLN 9 HE22 GLN 9 15.658 -7.555 -7.555
57 H GLN 10 HN GLN 10 10.051 -11.087 -11.087
58 HA GLN 10 HA GLN 10 10.165 -10.357 -10.357
59 1HB GLN 10 HB2 GLN 10 7.849 -11.924 -11.924
60 2HB GLN 10 HB3 GLN 10 8.672 -12.151 -12.151
61 1HG GLN 10 HG2 GLN 10 10.784 -12.605 -12.605
62 2HG GLN 10 HG3 GLN 10 9.522 -13.010 -13.010
63 1HE2 GLN 10 HE22 GLN 10 9.581 -16.263 -16.263
64 2HE2 GLN 10 HE21 GLN 10 9.832 -15.158 -15.158
65 H ALA 11 HN ALA 11 8.702 -8.741 -8.741
66 HA ALA 11 HA ALA 11 6.306 -7.950 -7.950
67 1HB ALA 11 HB2 ALA 11 7.470 -7.739 -7.739
68 2HB ALA 11 HB3 ALA 11 6.635 -6.259 -6.259
69 3HB ALA 11 HB1 ALA 11 5.764 -7.811 -7.811
70 H PHE 12 HN PHE 12 9.590 -6.695 -6.695
71 HA PHE 12 HA PHE 12 8.959 -4.165 -4.165
72 1HB PHE 12 HB2 PHE 12 11.483 -5.514 -5.514
73 2HB PHE 12 HB3 PHE 12 11.486 -3.871 -3.871
74 HD1 PHE 12 HD1 PHE 12 9.161 -5.771 -5.771
75 HD2 PHE 12 HD2 PHE 12 11.643 -2.365 -2.365
76 HE1 PHE 12 HE1 PHE 12 8.466 -4.929 -4.929
77 HE2 PHE 12 HE2 PHE 12 10.947 -1.525 -1.525
78 HZ PHE 12 HZ PHE 12 9.367 -2.816 -2.816
79 H CYS 13 HN CYS 13 9.594 -7.239 -7.239
80 HA CYS 13 HA CYS 13 11.208 -6.230 -6.230
81 1HB CYS 13 HB2 CYS 13 11.034 -8.793 -8.793
82 2HB CYS 13 HB3 CYS 13 10.964 -8.964 -8.964
83 H ASN 14 HN ASN 14 8.018 -7.108 -7.108
84 HA ASN 14 HA ASN 14 7.175 -7.747 -7.747
85 1HB ASN 14 HB2 ASN 14 6.271 -8.406 -8.406
86 2HB ASN 14 HB3 ASN 14 4.977 -7.505 -7.505
87 1HD2 ASN 14 HD22 ASN 14 5.819 -11.342 -11.342
88 2HD2 ASN 14 HD21 ASN 14 6.618 -10.458 -10.458
89 H ALA 15 HN ALA 15 6.883 -5.286 -5.286
90 HA ALA 15 HA ALA 15 4.842 -3.746 -3.746
91 1HB ALA 15 HB1 ALA 15 7.250 -3.058 -3.058
92 2HB ALA 15 HB2 ALA 15 5.922 -1.923 -1.923
93 3HB ALA 15 HB3 ALA 15 5.598 -3.437 -3.437
94 H ASP 16 HN ASP 16 5.361 -1.309 -1.309
95 HA ASP 16 HA ASP 16 7.645 -1.167 -1.167
96 1HB ASP 16 HB2 ASP 16 4.870 -1.636 -1.636
97 2HB ASP 16 HB3 ASP 16 5.777 -0.383 -0.383
98 H VAL 17 HN VAL 17 5.997 0.134 0.134
99 HA VAL 17 HA VAL 17 6.548 2.818 2.818
100 HB VAL 17 HB VAL 17 4.498 2.647 2.647
101 1HG1 VAL 17 HG12 VAL 17 3.469 1.327 1.327
102 2HG1 VAL 17 HG13 VAL 17 2.343 2.207 2.207
103 3HG1 VAL 17 HG11 VAL 17 3.287 0.841 0.841
104 1HG2 VAL 17 HG21 VAL 17 5.011 4.681 4.681
105 2HG2 VAL 17 HG22 VAL 17 3.347 4.502 4.502
106 3HG2 VAL 17 HG23 VAL 17 3.732 4.060 4.060
107 H VAL 18 HN VAL 18 7.888 2.364 2.364
108 HA VAL 18 HA VAL 18 6.398 1.986 1.986
109 HB VAL 18 HB VAL 18 9.344 2.287 2.287
110 1HG1 VAL 18 HG12 VAL 18 7.242 0.968 0.968
111 2HG1 VAL 18 HG13 VAL 18 8.627 -0.102 -0.102
112 3HG1 VAL 18 HG11 VAL 18 8.882 1.463 1.463
113 1HG2 VAL 18 HG23 VAL 18 7.928 0.313 0.313
114 2HG2 VAL 18 HG21 VAL 18 9.570 0.987 0.987
115 3HG2 VAL 18 HG22 VAL 18 9.239 -0.325 -0.325
116 H ILE 19 HN ILE 19 5.722 3.716 3.716
117 HA ILE 19 HA ILE 19 7.444 6.055 6.055
118 HB ILE 19 HB ILE 19 5.719 7.592 7.592
119 1HG1 ILE 19 HG12 ILE 19 3.953 5.200 5.200
120 2HG1 ILE 19 HG13 ILE 19 3.675 6.849 6.849
121 1HG2 ILE 19 HG21 ILE 19 7.101 6.372 6.372
122 2HG2 ILE 19 HG22 ILE 19 5.598 5.496 5.496
123 3HG2 ILE 19 HG23 ILE 19 5.657 7.269 7.269
124 1HD1 ILE 19 HD13 ILE 19 3.672 7.442 7.442
125 2HD1 ILE 19 HD11 ILE 19 3.450 5.693 5.693
126 3HD1 ILE 19 HD12 ILE 19 2.246 6.623 6.623
127 H ARG 20 HN ARG 20 7.683 6.679 6.679
128 HA ARG 20 HA ARG 20 6.130 5.375 5.375
129 1HB ARG 20 HB2 ARG 20 7.931 7.758 7.758
130 2HB ARG 20 HB3 ARG 20 7.627 6.364 6.364
131 1HG ARG 20 HG2 ARG 20 8.723 4.976 4.976
132 2HG ARG 20 HG3 ARG 20 9.331 6.520 6.520
133 1HD ARG 20 HD2 ARG 20 10.000 5.033 5.033
134 2HD ARG 20 HD3 ARG 20 11.084 5.791 5.791
135 HE ARG 20 HE ARG 20 9.285 7.626 7.626
136 1HH1 ARG 20 HH22 ARG 20 12.481 6.174 6.174
137 2HH1 ARG 20 HH21 ARG 20 13.243 7.381 7.381
138 1HH2 ARG 20 HH12 ARG 20 10.290 9.218 9.218
139 2HH2 ARG 20 HH11 ARG 20 11.988 9.124 9.124
140 H THR 21 HN THR 21 4.398 6.868 6.868
141 HA THR 21 HA THR 21 3.852 9.457 9.457
142 HB THR 21 HB THR 21 3.082 8.681 8.681
143 HG1 THR 21 HG1 THR 21 1.249 9.835 9.835
144 1HG2 THR 21 HG21 THR 21 2.679 6.215 6.215
145 2HG2 THR 21 HG22 THR 21 1.039 6.858 6.858
146 3HG2 THR 21 HG23 THR 21 1.724 6.803 6.803
147 H LYS 22 HN LYS 22 1.488 9.930 9.930
148 HA LYS 22 HA LYS 22 1.044 8.106 8.106
149 1HB LYS 22 HB2 LYS 22 0.840 9.948 9.948
150 2HB LYS 22 HB3 LYS 22 2.401 10.047 10.047
151 1HG LYS 22 HG2 LYS 22 1.612 11.796 11.796
152 2HG LYS 22 HG3 LYS 22 -0.045 11.585 11.585
153 1HD LYS 22 HD2 LYS 22 2.284 12.750 12.750
154 2HD LYS 22 HD3 LYS 22 0.766 13.524 13.524
155 1HE LYS 22 HE2 LYS 22 -0.382 11.679 11.679
156 2HE LYS 22 HE3 LYS 22 1.220 11.286 11.286
157 1HZ LYS 22 HZ1 LYS 22 1.202 13.906 13.906
158 2HZ LYS 22 HZ2 LYS 22 -0.388 13.602 13.602
159 3HZ LYS 22 HZ3 LYS 22 0.718 12.862 12.862
160 H ALA 23 HN ALA 23 -0.997 7.345 7.345
161 HA ALA 23 HA ALA 23 -2.942 8.789 8.789
162 1HB ALA 23 HB3 ALA 23 -2.544 6.366 6.366
163 2HB ALA 23 HB1 ALA 23 -3.043 6.034 6.034
164 3HB ALA 23 HB2 ALA 23 -4.216 6.697 6.697
165 H VAL 24 HN VAL 24 -3.725 10.503 10.503
166 HA VAL 24 HA VAL 24 -4.550 9.904 9.904
167 HB VAL 24 HB VAL 24 -4.863 12.452 12.452
168 1HG1 VAL 24 HG11 VAL 24 -2.234 10.987 10.987
169 2HG1 VAL 24 HG12 VAL 24 -2.275 12.748 12.748
170 3HG1 VAL 24 HG13 VAL 24 -3.095 11.661 11.661
171 1HG2 VAL 24 HG21 VAL 24 -4.736 12.564 12.564
172 2HG2 VAL 24 HG22 VAL 24 -3.767 13.755 13.755
173 3HG2 VAL 24 HG23 VAL 24 -2.981 12.329 12.329
174 H SER 25 HN SER 25 -5.724 11.035 11.035
175 HA SER 25 HA SER 25 -8.421 10.780 10.780
176 1HB SER 25 HB2 SER 25 -8.275 12.987 12.987
177 2HB SER 25 HB3 SER 25 -7.207 12.562 12.562
178 HG SER 25 HG SER 25 -9.047 11.460 11.460
179 H GLU 26 HN GLU 26 -10.074 10.074 10.074
180 HA GLU 26 HA GLU 26 -8.858 8.374 8.374
181 1HB GLU 26 HB2 GLU 26 -10.470 7.341 7.341
182 2HB GLU 26 HB3 GLU 26 -10.524 6.493 6.493
183 1HG GLU 26 HG2 GLU 26 -8.619 5.437 5.437
184 2HG GLU 26 HG3 GLU 26 -7.786 6.949 6.949
185 H LYS 27 HN LYS 27 -11.013 7.060 7.060
186 HA LYS 27 HA LYS 27 -13.265 8.864 8.864
187 1HB LYS 27 HB2 LYS 27 -11.717 9.877 9.877
188 2HB LYS 27 HB3 LYS 27 -11.560 8.349 8.349
189 1HG LYS 27 HG2 LYS 27 -13.716 8.452 8.452
190 2HG LYS 27 HG3 LYS 27 -14.350 9.394 9.394
191 1HD LYS 27 HD2 LYS 27 -14.040 10.612 10.612
192 2HD LYS 27 HD3 LYS 27 -13.456 11.430 11.430
193 1HE LYS 27 HE2 LYS 27 -11.153 10.737 10.737
194 2HE LYS 27 HE3 LYS 27 -11.670 9.681 9.681
195 1HZ LYS 27 HZ2 LYS 27 -12.694 11.975 11.975
196 2HZ LYS 27 HZ3 LYS 27 -11.393 12.538 12.538
197 3HZ LYS 27 HZ1 LYS 27 -11.195 11.477 11.477
198 H GLU 28 HN GLU 28 -14.953 7.519 7.519
199 HA GLU 28 HA GLU 28 -14.651 4.763 4.763
200 1HB GLU 28 HB2 GLU 28 -15.956 5.361 5.361
201 2HB GLU 28 HB3 GLU 28 -16.952 6.474 6.474
202 1HG GLU 28 HG2 GLU 28 -17.492 4.242 4.242
203 2HG GLU 28 HG3 GLU 28 -17.049 3.464 3.464
204 H VAL 29 HN VAL 29 -14.389 4.420 4.420
205 HA VAL 29 HA VAL 29 -16.530 5.462 5.462
206 HB VAL 29 HB VAL 29 -14.959 4.876 4.876
207 1HG1 VAL 29 HG12 VAL 29 -14.945 7.075 7.075
208 2HG1 VAL 29 HG13 VAL 29 -13.228 6.658 6.658
209 3HG1 VAL 29 HG11 VAL 29 -14.251 6.993 6.993
210 1HG2 VAL 29 HG23 VAL 29 -13.653 3.367 3.367
211 2HG2 VAL 29 HG21 VAL 29 -13.021 3.788 3.788
212 3HG2 VAL 29 HG22 VAL 29 -12.589 4.780 4.780
213 H ASP 30 HN ASP 30 -18.091 4.101 4.101
214 HA ASP 30 HA ASP 30 -18.122 1.469 1.469
215 1HB ASP 30 HB2 ASP 30 -19.772 3.193 3.193
216 2HB ASP 30 HB3 ASP 30 -19.969 1.464 1.464
217 H SER 31 HN SER 31 -18.267 -0.511 -0.511
218 HA SER 31 HA SER 31 -17.011 -0.140 -0.140
219 1HB SER 31 HB2 SER 31 -15.005 -0.573 -0.573
220 2HB SER 31 HB3 SER 31 -15.769 -1.581 -1.581
221 HG SER 31 HG SER 31 -15.708 -2.432 -2.432
222 H GLY 32 HN GLY 32 -19.665 -0.998 -0.998
223 1HA GLY 32 HA1 GLY 32 -21.321 -2.398 -2.398
224 2HA GLY 32 HA2 GLY 32 -20.228 -3.166 -3.166
225 H ASN 33 HN ASN 33 -21.791 -4.959 -4.959
226 HA ASN 33 HA ASN 33 -20.751 -5.817 -5.817
227 1HB ASN 33 HB2 ASN 33 -22.515 -7.521 -7.521
228 2HB ASN 33 HB3 ASN 33 -22.501 -7.440 -7.440
229 1HD2 ASN 33 HD22 ASN 33 -25.194 -5.371 -5.371
230 2HD2 ASN 33 HD21 ASN 33 -24.321 -6.776 -6.776
231 H ASP 34 HN ASP 34 -19.978 -8.206 -8.206
232 HA ASP 34 HA ASP 34 -18.112 -8.683 -8.683
233 1HB ASP 34 HB2 ASP 34 -17.736 -8.752 -8.752
234 2HB ASP 34 HB3 ASP 34 -18.318 -10.396 -10.396
235 H ILE 35 HN ILE 35 -17.805 -11.559 -11.559
236 HA ILE 35 HA ILE 35 -20.058 -12.496 -12.496
237 HB ILE 35 HB ILE 35 -17.582 -13.900 -13.900
238 1HG1 ILE 35 HG12 ILE 35 -16.924 -13.710 -13.710
239 2HG1 ILE 35 HG13 ILE 35 -18.226 -12.552 -12.552
240 1HG2 ILE 35 HG23 ILE 35 -19.872 -14.800 -14.800
241 2HG2 ILE 35 HG21 ILE 35 -18.241 -15.481 -15.481
242 3HG2 ILE 35 HG22 ILE 35 -19.069 -15.638 -15.638
243 1HD1 ILE 35 HD13 ILE 35 -16.243 -12.170 -12.170
244 2HD1 ILE 35 HD11 ILE 35 -15.787 -11.713 -11.713
245 3HD1 ILE 35 HD12 ILE 35 -17.194 -10.950 -10.950
246 H TYR 36 HN TYR 36 -19.684 -11.794 -11.794
247 HA TYR 36 HA TYR 36 -21.187 -14.164 -14.164
248 1HB TYR 36 HB2 TYR 36 -18.886 -13.043 -13.043
249 2HB TYR 36 HB3 TYR 36 -20.031 -11.992 -11.992
250 HD1 TYR 36 HD1 TYR 36 -18.984 -15.539 -15.539
251 HD2 TYR 36 HD2 TYR 36 -21.233 -12.727 -12.727
252 HE1 TYR 36 HE1 TYR 36 -19.294 -17.278 -17.278
253 HE2 TYR 36 HE2 TYR 36 -21.534 -14.475 -14.475
254 HH TYR 36 HH TYR 36 -19.697 -17.185 -17.185
255 H GLY 37 HN GLY 37 -21.715 -11.105 -11.105
256 1HA GLY 37 HA1 GLY 37 -23.732 -10.017 -10.017
257 2HA GLY 37 HA2 GLY 37 -24.314 -10.958 -10.958
258 H ASN 38 HN ASN 38 -21.349 -10.108 -10.108
259 HA ASN 38 HA ASN 38 -22.442 -8.035 -8.035
260 1HB ASN 38 HB2 ASN 38 -20.029 -8.002 -8.002
261 2HB ASN 38 HB3 ASN 38 -20.897 -9.516 -9.516
262 1HD2 ASN 38 HD22 ASN 38 -17.447 -10.164 -10.164
263 2HD2 ASN 38 HD21 ASN 38 -18.153 -9.369 -9.369
264 HA PRO 39 HA PRO 39 -20.772 -4.700 -4.700
265 1HB PRO 39 HB2 PRO 39 -20.391 -2.786 -2.786
266 2HB PRO 39 HB3 PRO 39 -21.957 -3.140 -3.140
267 1HG PRO 39 HG2 PRO 39 -20.918 -3.867 -3.867
268 2HG PRO 39 HG3 PRO 39 -22.578 -3.829 -3.829
269 1HD PRO 39 HD2 PRO 39 -20.946 -6.158 -6.158
270 2HD PRO 39 HD3 PRO 39 -22.566 -6.109 -6.109
271 H ILE 40 HN ILE 40 -18.920 -4.288 -4.288
272 HA ILE 40 HA ILE 40 -16.567 -5.344 -5.344
273 HB ILE 40 HB ILE 40 -17.116 -3.540 -3.540
274 1HG1 ILE 40 HG12 ILE 40 -16.504 -6.498 -6.498
275 2HG1 ILE 40 HG13 ILE 40 -18.040 -5.780 -5.780
276 1HG2 ILE 40 HG23 ILE 40 -14.494 -4.746 -4.746
277 2HG2 ILE 40 HG21 ILE 40 -14.794 -4.134 -4.134
278 3HG2 ILE 40 HG22 ILE 40 -14.880 -3.027 -3.027
279 1HD1 ILE 40 HD13 ILE 40 -16.281 -4.579 -4.579
280 2HD1 ILE 40 HD11 ILE 40 -15.641 -6.233 -6.233
281 3HD1 ILE 40 HD12 ILE 40 -17.329 -5.974 -5.974
282 H LYS 41 HN LYS 41 -16.927 -1.900 -1.900
283 HA LYS 41 HA LYS 41 -16.371 -0.004 -0.004
284 1HB LYS 41 HB2 LYS 41 -17.766 -0.727 -0.727
285 2HB LYS 41 HB3 LYS 41 -16.421 -1.608 -1.608
286 1HG LYS 41 HG2 LYS 41 -16.458 0.481 0.481
287 2HG LYS 41 HG3 LYS 41 -15.126 0.616 0.616
288 1HD LYS 41 HD2 LYS 41 -16.333 2.671 2.671
289 2HD LYS 41 HD3 LYS 41 -16.771 1.736 1.736
290 1HE LYS 41 HE2 LYS 41 -18.815 0.901 0.901
291 2HE LYS 41 HE3 LYS 41 -18.423 2.150 2.150
292 1HZ LYS 41 HZ1 LYS 41 -18.419 3.179 3.179
293 2HZ LYS 41 HZ2 LYS 41 -19.849 2.464 2.464
294 3HZ LYS 41 HZ3 LYS 41 -19.294 3.658 3.658
295 H ARG 42 HN ARG 42 -14.437 0.955 0.955
296 HA ARG 42 HA ARG 42 -12.119 -0.512 -0.512
297 1HB ARG 42 HB2 ARG 42 -11.165 0.893 0.893
298 2HB ARG 42 HB3 ARG 42 -11.543 -0.818 -0.818
299 1HG ARG 42 HG2 ARG 42 -13.966 -0.174 -0.174
300 2HG ARG 42 HG3 ARG 42 -13.386 1.459 1.459
301 1HD ARG 42 HD2 ARG 42 -11.597 0.297 0.297
302 2HD ARG 42 HD3 ARG 42 -12.709 -1.057 -1.057
303 HE ARG 42 HE ARG 42 -14.262 1.246 1.246
304 1HH1 ARG 42 HH22 ARG 42 -11.648 -0.558 -0.558
305 2HH1 ARG 42 HH21 ARG 42 -12.107 -0.119 -0.119
306 1HH2 ARG 42 HH12 ARG 42 -14.868 1.826 1.826
307 2HH2 ARG 42 HH11 ARG 42 -13.950 1.246 1.246
308 H ILE 43 HN ILE 43 -12.765 1.157 1.157
309 HA ILE 43 HA ILE 43 -12.747 3.798 3.798
310 HB ILE 43 HB ILE 43 -11.935 1.794 1.794
311 1HG1 ILE 43 HG12 ILE 43 -12.965 3.575 3.575
312 2HG1 ILE 43 HG13 ILE 43 -13.315 4.479 4.479
313 1HG2 ILE 43 HG21 ILE 43 -10.530 4.474 4.474
314 2HG2 ILE 43 HG22 ILE 43 -10.604 3.248 3.248
315 3HG2 ILE 43 HG23 ILE 43 -9.763 2.885 2.885
316 1HD1 ILE 43 HD12 ILE 43 -14.097 1.702 1.702
317 2HD1 ILE 43 HD13 ILE 43 -14.832 2.350 2.350
318 3HD1 ILE 43 HD11 ILE 43 -15.104 3.168 3.168
319 H GLN 44 HN GLN 44 -11.238 5.553 5.553
320 HA GLN 44 HA GLN 44 -8.936 4.877 4.877
321 1HB GLN 44 HB2 GLN 44 -10.303 7.509 7.509
322 2HB GLN 44 HB3 GLN 44 -8.791 7.442 7.442
323 1HG GLN 44 HG2 GLN 44 -11.514 6.398 6.398
324 2HG GLN 44 HG3 GLN 44 -10.466 7.513 7.513
325 1HE2 GLN 44 HE22 GLN 44 -9.953 3.428 3.428
326 2HE2 GLN 44 HE21 GLN 44 -10.970 4.184 4.184
327 H TYR 45 HN TYR 45 -7.027 6.715 6.715
328 HA TYR 45 HA TYR 45 -6.593 6.649 6.649
329 1HB TYR 45 HB2 TYR 45 -5.145 5.338 5.338
330 2HB TYR 45 HB3 TYR 45 -4.090 6.192 6.192
331 HD1 TYR 45 HD2 TYR 45 -5.727 5.646 5.646
332 HD2 TYR 45 HD1 TYR 45 -4.430 3.111 3.111
333 HE1 TYR 45 HE2 TYR 45 -5.759 3.645 3.645
334 HE2 TYR 45 HE1 TYR 45 -4.466 1.118 1.118
335 HH TYR 45 HH TYR 45 -5.064 1.551 1.551
336 H GLU 46 HN GLU 46 -7.363 8.969 8.969
337 HA GLU 46 HA GLU 46 -5.748 10.605 10.605
338 1HB GLU 46 HB2 GLU 46 -8.152 10.924 10.924
339 2HB GLU 46 HB3 GLU 46 -7.211 11.707 11.707
340 1HG GLU 46 HG2 GLU 46 -6.296 13.323 13.323
341 2HG GLU 46 HG3 GLU 46 -6.914 12.434 12.434
342 H ILE 47 HN ILE 47 -3.592 9.695 9.695
343 HA ILE 47 HA ILE 47 -2.708 10.254 10.254
344 HB ILE 47 HB ILE 47 -0.492 9.710 9.710
345 1HG1 ILE 47 HG12 ILE 47 -1.929 9.992 9.992
346 2HG1 ILE 47 HG13 ILE 47 -0.340 10.562 10.562
347 1HG2 ILE 47 HG21 ILE 47 -2.882 7.989 7.989
348 2HG2 ILE 47 HG22 ILE 47 -1.423 7.416 7.416
349 3HG2 ILE 47 HG23 ILE 47 -1.371 7.743 7.743
350 1HD1 ILE 47 HD13 ILE 47 0.185 7.955 7.955
351 2HD1 ILE 47 HD11 ILE 47 -1.189 7.805 7.805
352 3HD1 ILE 47 HD12 ILE 47 0.245 8.748 8.748
353 H LYS 48 HN LYS 48 -0.255 11.551 11.551
354 HA LYS 48 HA LYS 48 -0.999 14.173 14.173
355 1HB LYS 48 HB2 LYS 48 -1.233 13.764 13.764
356 2HB LYS 48 HB3 LYS 48 0.501 14.010 14.010
357 1HG LYS 48 HG2 LYS 48 0.293 16.216 16.216
358 2HG LYS 48 HG3 LYS 48 -1.369 15.948 15.948
359 1HD LYS 48 HD2 LYS 48 -0.869 17.355 17.355
360 2HD LYS 48 HD3 LYS 48 -2.206 16.221 16.221
361 1HE LYS 48 HE2 LYS 48 -0.929 14.555 14.555
362 2HE LYS 48 HE3 LYS 48 0.579 15.404 15.404
363 1HZ LYS 48 HZ2 LYS 48 -1.302 17.065 17.065
364 2HZ LYS 48 HZ3 LYS 48 -1.074 15.692 15.692
365 3HZ LYS 48 HZ1 LYS 48 0.199 16.645 16.645
366 H GLN 49 HN GLN 49 0.942 11.553 11.553
367 HA GLN 49 HA GLN 49 2.949 11.159 11.159
368 1HB GLN 49 HB2 GLN 49 2.597 12.120 12.120
369 2HB GLN 49 HB3 GLN 49 2.114 13.662 13.662
370 1HG GLN 49 HG2 GLN 49 4.273 14.492 14.492
371 2HG GLN 49 HG3 GLN 49 4.984 12.938 12.938
372 1HE2 GLN 49 HE22 GLN 49 5.064 11.731 11.731
373 2HE2 GLN 49 HE21 GLN 49 4.708 11.239 11.239
374 H ILE 50 HN ILE 50 4.656 10.969 10.969
375 HA ILE 50 HA ILE 50 5.752 13.470 13.470
376 HB ILE 50 HB ILE 50 5.541 12.747 12.747
377 1HG1 ILE 50 HG12 ILE 50 6.858 10.256 10.256
378 2HG1 ILE 50 HG13 ILE 50 7.482 11.460 11.460
379 1HG2 ILE 50 HG23 ILE 50 3.398 11.879 11.879
380 2HG2 ILE 50 HG21 ILE 50 4.109 10.263 10.263
381 3HG2 ILE 50 HG22 ILE 50 3.790 11.294 11.294
382 1HD1 ILE 50 HD13 ILE 50 5.836 10.725 10.725
383 2HD1 ILE 50 HD11 ILE 50 5.232 9.485 9.485
384 3HD1 ILE 50 HD12 ILE 50 6.901 9.394 9.394
385 H LYS 51 HN LYS 51 6.224 10.331 10.331
386 HA LYS 51 HA LYS 51 8.882 11.131 11.131
387 1HB LYS 51 HB2 LYS 51 8.572 9.540 9.540
388 2HB LYS 51 HB3 LYS 51 9.127 8.456 8.456
389 1HG LYS 51 HG2 LYS 51 10.712 10.713 10.713
390 2HG LYS 51 HG3 LYS 51 10.553 10.695 10.695
391 1HD LYS 51 HD2 LYS 51 11.656 8.644 8.644
392 2HD LYS 51 HD3 LYS 51 11.165 8.076 8.076
393 1HE LYS 51 HE2 LYS 51 12.803 9.458 9.458
394 2HE LYS 51 HE3 LYS 51 13.111 10.398 10.398
395 1HZ LYS 51 HZ2 LYS 51 13.534 7.613 7.613
396 2HZ LYS 51 HZ3 LYS 51 14.502 8.241 8.241
397 3HZ LYS 51 HZ1 LYS 51 14.514 8.871 8.871
398 H MET 52 HN MET 52 9.847 9.412 9.412
399 HA MET 52 HA MET 52 7.790 7.778 7.778
400 1HB MET 52 HB2 MET 52 8.401 8.743 8.743
401 2HB MET 52 HB3 MET 52 7.542 9.862 9.862
402 1HG MET 52 HG2 MET 52 10.034 10.538 10.538
403 2HG MET 52 HG3 MET 52 10.451 9.874 9.874
404 1HE MET 52 HE3 MET 52 9.165 10.388 10.388
405 2HE MET 52 HE1 MET 52 8.857 12.081 12.081
406 3HE MET 52 HE2 MET 52 10.498 11.567 11.567
407 H PHE 53 HN PHE 53 9.358 6.236 6.236
408 HA PHE 53 HA PHE 53 11.968 5.925 5.925
409 1HB PHE 53 HB2 PHE 53 9.561 4.175 4.175
410 2HB PHE 53 HB3 PHE 53 10.941 3.327 3.327
411 HD1 PHE 53 HD2 PHE 53 13.212 4.553 4.553
412 HD2 PHE 53 HD1 PHE 53 9.387 3.545 3.545
413 HE1 PHE 53 HE2 PHE 53 14.193 4.334 4.334
414 HE2 PHE 53 HE1 PHE 53 10.368 3.325 3.325
415 HZ PHE 53 HZ PHE 53 12.760 3.723 3.723
416 H LYS 54 HN LYS 54 9.696 3.852 3.852
417 HA LYS 54 HA LYS 54 11.282 4.514 4.514
418 1HB LYS 54 HB2 LYS 54 11.465 2.108 2.108
419 2HB LYS 54 HB3 LYS 54 10.308 1.748 1.748
420 1HG LYS 54 HG2 LYS 54 12.654 1.340 1.340
421 2HG LYS 54 HG3 LYS 54 11.862 2.558 2.558
422 1HD LYS 54 HD2 LYS 54 13.119 3.859 3.859
423 2HD LYS 54 HD3 LYS 54 14.294 2.813 2.813
424 1HE LYS 54 HE2 LYS 54 12.635 4.981 4.981
425 2HE LYS 54 HE3 LYS 54 14.354 5.052 5.052
426 1HZ LYS 54 HZ3 LYS 54 13.549 2.734 2.734
427 2HZ LYS 54 HZ1 LYS 54 13.296 4.138 4.138
428 3HZ LYS 54 HZ2 LYS 54 14.793 3.757 3.757
429 H GLY 55 HN GLY 55 9.325 6.085 6.085
430 1HA GLY 55 HA1 GLY 55 7.016 4.704 4.704
431 2HA GLY 55 HA2 GLY 55 6.894 6.147 6.147
432 HA PRO 56 HA PRO 56 7.201 7.651 7.651
433 1HB PRO 56 HB2 PRO 56 5.158 9.460 9.460
434 2HB PRO 56 HB3 PRO 56 4.946 7.815 7.815
435 1HG PRO 56 HG2 PRO 56 4.154 9.001 9.001
436 2HG PRO 56 HG3 PRO 56 3.590 7.519 7.519
437 1HD PRO 56 HD2 PRO 56 5.463 7.746 7.746
438 2HD PRO 56 HD3 PRO 56 4.986 6.275 6.275
439 H GLU 57 HN GLU 57 6.964 10.227 10.227
440 HA GLU 57 HA GLU 57 9.066 11.321 11.321
441 1HB GLU 57 HB2 GLU 57 8.042 12.734 12.734
442 2HB GLU 57 HB3 GLU 57 9.683 12.599 12.599
443 1HG GLU 57 HG2 GLU 57 9.576 10.097 10.097
444 2HG GLU 57 HG3 GLU 57 8.055 10.426 10.426
445 H LYS 58 HN LYS 58 5.675 11.891 11.891
446 HA LYS 58 HA LYS 58 5.602 14.468 14.468
447 1HB LYS 58 HB2 LYS 58 4.255 13.507 13.507
448 2HB LYS 58 HB3 LYS 58 3.145 12.968 12.968
449 1HG LYS 58 HG2 LYS 58 2.269 15.063 15.063
450 2HG LYS 58 HG3 LYS 58 3.730 15.593 15.593
451 1HD LYS 58 HD2 LYS 58 3.423 15.427 15.427
452 2HD LYS 58 HD3 LYS 58 3.193 16.894 16.894
453 1HE LYS 58 HE2 LYS 58 5.649 16.156 16.156
454 2HE LYS 58 HE3 LYS 58 5.730 15.437 15.437
455 1HZ LYS 58 HZ3 LYS 58 4.831 18.196 18.196
456 2HZ LYS 58 HZ1 LYS 58 6.425 17.845 17.845
457 3HZ LYS 58 HZ2 LYS 58 5.475 17.480 17.480
458 H ASP 59 HN ASP 59 3.363 11.677 11.677
459 HA ASP 59 HA ASP 59 4.002 10.806 10.806
460 1HB ASP 59 HB2 ASP 59 4.157 12.956 12.956
461 2HB ASP 59 HB3 ASP 59 2.683 13.527 13.527
462 H ILE 60 HN ILE 60 1.889 10.133 10.133
463 HA ILE 60 HA ILE 60 -0.207 9.609 9.609
464 HB ILE 60 HB ILE 60 0.029 8.211 8.211
465 1HG1 ILE 60 HG12 ILE 60 2.308 8.311 8.311
466 2HG1 ILE 60 HG13 ILE 60 1.690 6.732 6.732
467 1HG2 ILE 60 HG23 ILE 60 -1.920 7.923 7.923
468 2HG2 ILE 60 HG21 ILE 60 -0.778 7.145 7.145
469 3HG2 ILE 60 HG22 ILE 60 -1.074 6.433 6.433
470 1HD1 ILE 60 HD11 ILE 60 1.310 7.949 7.949
471 2HD1 ILE 60 HD12 ILE 60 2.656 6.864 6.864
472 3HD1 ILE 60 HD13 ILE 60 0.979 6.271 6.271
473 H GLU 61 HN GLU 61 -0.058 10.025 10.025
474 HA GLU 61 HA GLU 61 -1.201 11.297 11.297
475 1HB GLU 61 HB2 GLU 61 -1.371 12.825 12.825
476 2HB GLU 61 HB3 GLU 61 -2.790 13.073 13.073
477 1HG GLU 61 HG2 GLU 61 -1.605 14.121 14.121
478 2HG GLU 61 HG3 GLU 61 -0.179 13.130 13.130
479 H PHE 62 HN PHE 62 -2.506 9.285 9.285
480 HA PHE 62 HA PHE 62 -4.925 8.984 8.984
481 1HB PHE 62 HB2 PHE 62 -4.670 10.183 10.183
482 2HB PHE 62 HB3 PHE 62 -5.771 8.819 8.819
483 HD1 PHE 62 HD1 PHE 62 -7.437 8.894 8.894
484 HD2 PHE 62 HD2 PHE 62 -5.626 12.249 12.249
485 HE1 PHE 62 HE1 PHE 62 -9.259 10.373 10.373
486 HE2 PHE 62 HE2 PHE 62 -7.448 13.728 13.728
487 HZ PHE 62 HZ PHE 62 -9.243 12.773 12.773
488 H ILE 63 HN ILE 63 -4.444 6.885 6.885
489 HA ILE 63 HA ILE 63 -3.758 5.040 5.040
490 HB ILE 63 HB ILE 63 -3.485 4.364 4.364
491 1HG1 ILE 63 HG12 ILE 63 -2.397 6.711 6.711
492 2HG1 ILE 63 HG13 ILE 63 -1.760 5.726 5.726
493 1HG2 ILE 63 HG21 ILE 63 -2.246 3.506 3.506
494 2HG2 ILE 63 HG22 ILE 63 -1.400 3.231 3.231
495 3HG2 ILE 63 HG23 ILE 63 -3.012 2.526 2.526
496 1HD1 ILE 63 HD13 ILE 63 -0.949 5.223 5.223
497 2HD1 ILE 63 HD11 ILE 63 -0.113 6.425 6.425
498 3HD1 ILE 63 HD12 ILE 63 -0.116 4.710 4.710
499 H TYR 64 HN TYR 64 -4.691 2.751 2.751
500 HA TYR 64 HA TYR 64 -7.474 3.042 3.042
501 1HB TYR 64 HB2 TYR 64 -6.050 1.637 1.637
502 2HB TYR 64 HB3 TYR 64 -7.627 1.071 1.071
503 HD1 TYR 64 HD1 TYR 64 -5.913 4.266 4.266
504 HD2 TYR 64 HD2 TYR 64 -9.512 1.954 1.954
505 HE1 TYR 64 HE1 TYR 64 -7.027 6.024 6.024
506 HE2 TYR 64 HE2 TYR 64 -10.614 3.719 3.719
507 HH TYR 64 HH TYR 64 -9.350 6.780 6.780
508 H THR 65 HN THR 65 -8.460 1.206 1.206
509 HA THR 65 HA THR 65 -7.000 -1.188 -1.188
510 HB THR 65 HB THR 65 -5.686 0.292 0.292
511 HG1 THR 65 HG1 THR 65 -6.358 -0.938 -0.938
512 1HG2 THR 65 HG23 THR 65 -8.458 1.087 1.087
513 2HG2 THR 65 HG21 THR 65 -7.164 0.988 0.988
514 3HG2 THR 65 HG22 THR 65 -7.000 2.094 2.094
515 H ALA 66 HN ALA 66 -8.216 -2.033 -2.033
516 HA ALA 66 HA ALA 66 -11.009 -2.046 -2.046
517 1HB ALA 66 HB2 ALA 66 -9.123 -4.082 -4.082
518 2HB ALA 66 HB3 ALA 66 -10.515 -4.083 -4.083
519 3HB ALA 66 HB1 ALA 66 -10.772 -4.273 -4.273
520 HA PRO 67 HA PRO 67 -12.137 -0.058 -0.058
521 1HB PRO 67 HB2 PRO 67 -14.746 -0.831 -0.831
522 2HB PRO 67 HB3 PRO 67 -14.226 0.446 0.446
523 1HG PRO 67 HG2 PRO 67 -15.050 -2.317 -2.317
524 2HG PRO 67 HG3 PRO 67 -14.941 -0.924 -0.924
525 1HD PRO 67 HD2 PRO 67 -13.083 -3.104 -3.104
526 2HD PRO 67 HD3 PRO 67 -12.917 -1.655 -1.655
527 H SER 68 HN SER 68 -14.029 -0.844 -0.844
528 HA SER 68 HA SER 68 -14.020 -1.872 -1.872
529 1HB SER 68 HB2 SER 68 -13.548 -4.059 -4.059
530 2HB SER 68 HB3 SER 68 -13.207 -4.477 -4.477
531 HG SER 68 HG SER 68 -15.609 -3.071 -3.071
532 H SER 69 HN SER 69 -12.427 -3.817 -3.817
533 HA SER 69 HA SER 69 -10.145 -2.281 -2.281
534 1HB SER 69 HB2 SER 69 -9.750 -3.810 -3.810
535 2HB SER 69 HB3 SER 69 -11.490 -3.873 -3.873
536 HG SER 69 HG SER 69 -11.269 -5.819 -5.819
537 H ALA 70 HN ALA 70 -9.818 -2.575 -2.575
538 HA ALA 70 HA ALA 70 -8.476 -3.285 -3.285
539 1HB ALA 70 HB2 ALA 70 -6.929 -3.736 -3.736
540 2HB ALA 70 HB3 ALA 70 -6.308 -4.531 -4.531
541 3HB ALA 70 HB1 ALA 70 -6.523 -2.765 -2.765
542 H VAL 71 HN VAL 71 -9.626 -4.788 -4.788
543 HA VAL 71 HA VAL 71 -9.573 -7.537 -7.537
544 HB VAL 71 HB VAL 71 -11.639 -7.847 -7.847
545 1HG1 VAL 71 HG13 VAL 71 -11.843 -5.915 -5.915
546 2HG1 VAL 71 HG11 VAL 71 -11.606 -4.813 -4.813
547 3HG1 VAL 71 HG12 VAL 71 -13.054 -5.846 -5.846
548 1HG2 VAL 71 HG21 VAL 71 -10.778 -6.049 -6.049
549 2HG2 VAL 71 HG22 VAL 71 -11.311 -7.747 -7.747
550 3HG2 VAL 71 HG23 VAL 71 -12.497 -6.449 -6.449
551 H CYS 72 HN CYS 72 -8.808 -5.363 -5.363
552 HA CYS 72 HA CYS 72 -7.297 -7.588 -7.588
553 1HB CYS 72 HB2 CYS 72 -8.909 -5.560 -5.560
554 2HB CYS 72 HB3 CYS 72 -7.837 -6.764 -6.764
555 H GLY 73 HN GLY 73 -6.886 -5.082 -5.082
556 1HA GLY 73 HA1 GLY 73 -4.481 -4.165 -4.165
557 2HA GLY 73 HA2 GLY 73 -5.696 -2.947 -2.947
558 H VAL 74 HN VAL 74 -4.185 -1.878 -1.878
559 HA VAL 74 HA VAL 74 -3.855 -3.343 -3.343
560 HB VAL 74 HB VAL 74 -2.188 -1.122 -1.122
561 1HG1 VAL 74 HG13 VAL 74 -1.928 -2.636 -2.636
562 2HG1 VAL 74 HG11 VAL 74 -0.638 -1.634 -1.634
563 3HG1 VAL 74 HG12 VAL 74 -2.181 -0.889 -0.889
564 1HG2 VAL 74 HG21 VAL 74 -2.115 -3.629 -3.629
565 2HG2 VAL 74 HG22 VAL 74 -0.628 -2.675 -2.675
566 3HG2 VAL 74 HG23 VAL 74 -1.116 -3.857 -3.857
567 H SER 75 HN SER 75 -5.811 -1.161 -1.161
568 HA SER 75 HA SER 75 -6.818 0.737 0.737
569 1HB SER 75 HB2 SER 75 -8.516 0.279 0.279
570 2HB SER 75 HB3 SER 75 -8.105 -1.274 -1.274
571 HG SER 75 HG SER 75 -8.254 -1.024 -1.024
572 H LEU 76 HN LEU 76 -4.942 2.158 2.158
573 HA LEU 76 HA LEU 76 -4.202 2.511 2.511
574 1HB LEU 76 HB2 LEU 76 -2.719 3.952 3.952
575 2HB LEU 76 HB3 LEU 76 -2.146 3.131 3.131
576 HG LEU 76 HG LEU 76 -2.954 1.005 1.005
577 1HD1 LEU 76 HD13 LEU 76 -3.028 3.110 3.110
578 2HD1 LEU 76 HD11 LEU 76 -1.460 2.326 2.326
579 3HD1 LEU 76 HD12 LEU 76 -2.962 1.373 1.373
580 1HD2 LEU 76 HD22 LEU 76 -0.529 2.129 2.129
581 2HD2 LEU 76 HD23 LEU 76 -0.877 0.441 0.441
582 3HD2 LEU 76 HD21 LEU 76 -0.244 1.572 1.572
583 H ASP 77 HN ASP 77 -4.719 4.361 4.361
584 HA ASP 77 HA ASP 77 -6.135 6.354 6.354
585 1HB ASP 77 HB2 ASP 77 -7.022 6.886 6.886
586 2HB ASP 77 HB3 ASP 77 -7.808 5.717 5.717
587 H VAL 78 HN VAL 78 -3.349 5.594 5.594
588 HA VAL 78 HA VAL 78 -1.615 6.813 6.813
589 HB VAL 78 HB VAL 78 -3.214 8.830 8.830
590 1HG1 VAL 78 HG11 VAL 78 -1.155 9.539 9.539
591 2HG1 VAL 78 HG12 VAL 78 -1.363 10.544 10.544
592 3HG1 VAL 78 HG13 VAL 78 -2.728 10.300 10.300
593 1HG2 VAL 78 HG22 VAL 78 -0.732 7.324 7.324
594 2HG2 VAL 78 HG23 VAL 78 -1.741 8.115 8.115
595 3HG2 VAL 78 HG21 VAL 78 -0.513 9.055 9.055
596 H GLY 79 HN GLY 79 -4.860 7.273 7.273
597 1HA GLY 79 HA1 GLY 79 -4.280 8.983 8.983
598 2HA GLY 79 HA2 GLY 79 -5.759 8.100 8.100
599 H GLY 80 HN GLY 80 -3.474 5.750 5.750
600 1HA GLY 80 HA1 GLY 80 -3.283 5.136 5.136
601 2HA GLY 80 HA2 GLY 80 -3.900 3.959 3.959
602 H LYS 81 HN LYS 81 -2.075 4.840 4.840
603 HA LYS 81 HA LYS 81 0.309 3.487 3.487
604 1HB LYS 81 HB2 LYS 81 0.556 3.642 3.642
605 2HB LYS 81 HB3 LYS 81 -0.033 2.265 2.265
606 1HG LYS 81 HG2 LYS 81 -1.866 4.527 4.527
607 2HG LYS 81 HG3 LYS 81 -1.551 3.119 3.119
608 1HD LYS 81 HD2 LYS 81 -2.896 1.770 1.770
609 2HD LYS 81 HD3 LYS 81 -2.270 2.403 2.403
610 1HE LYS 81 HE2 LYS 81 -3.996 3.885 3.885
611 2HE LYS 81 HE3 LYS 81 -3.888 4.404 4.404
612 1HZ LYS 81 HZ1 LYS 81 -4.907 1.747 1.747
613 2HZ LYS 81 HZ2 LYS 81 -5.865 2.943 2.943
614 3HZ LYS 81 HZ3 LYS 81 -5.423 2.925 2.925
615 H LYS 82 HN LYS 82 0.452 5.432 5.432
616 HA LYS 82 HA LYS 82 1.091 7.902 7.902
617 1HB LYS 82 HB2 LYS 82 3.653 7.760 7.760
618 2HB LYS 82 HB3 LYS 82 2.785 7.245 7.245
619 1HG LYS 82 HG2 LYS 82 2.938 4.925 4.925
620 2HG LYS 82 HG3 LYS 82 4.512 5.682 5.682
621 1HD LYS 82 HD2 LYS 82 5.085 4.924 4.924
622 2HD LYS 82 HD3 LYS 82 3.776 5.845 5.845
623 1HE LYS 82 HE2 LYS 82 2.265 4.020 4.020
624 2HE LYS 82 HE3 LYS 82 3.153 3.204 3.204
625 1HZ LYS 82 HZ2 LYS 82 4.970 2.954 2.954
626 2HZ LYS 82 HZ3 LYS 82 3.926 3.462 3.462
627 3HZ LYS 82 HZ1 LYS 82 3.619 2.091 2.091
628 H GLU 83 HN GLU 83 3.238 5.684 5.684
629 HA GLU 83 HA GLU 83 2.054 6.652 6.652
630 1HB GLU 83 HB2 GLU 83 5.027 7.140 7.140
631 2HB GLU 83 HB3 GLU 83 4.055 7.647 7.647
632 1HG GLU 83 HG2 GLU 83 4.188 9.621 9.621
633 2HG GLU 83 HG3 GLU 83 2.632 8.972 8.972
634 H TYR 84 HN TYR 84 2.985 5.486 5.486
635 HA TYR 84 HA TYR 84 4.456 3.068 3.068
636 1HB TYR 84 HB2 TYR 84 2.718 1.835 1.835
637 2HB TYR 84 HB3 TYR 84 2.045 2.488 2.488
638 HD1 TYR 84 HD2 TYR 84 2.658 3.669 3.669
639 HD2 TYR 84 HD1 TYR 84 -0.022 3.511 3.511
640 HE1 TYR 84 HE2 TYR 84 0.902 4.923 4.923
641 HE2 TYR 84 HE1 TYR 84 -1.768 4.767 4.767
642 HH TYR 84 HH TYR 84 -1.835 4.955 4.955
643 H LEU 85 HN LEU 85 5.503 2.019 2.019
644 HA LEU 85 HA LEU 85 6.238 3.972 3.972
645 1HB LEU 85 HB2 LEU 85 7.895 2.248 2.248
646 2HB LEU 85 HB3 LEU 85 8.023 2.808 2.808
647 HG LEU 85 HG LEU 85 8.241 0.258 0.258
648 1HD1 LEU 85 HD11 LEU 85 7.839 1.676 1.676
649 2HD1 LEU 85 HD12 LEU 85 6.521 0.479 0.479
650 3HD1 LEU 85 HD13 LEU 85 8.210 -0.062 -0.062
651 1HD2 LEU 85 HD22 LEU 85 5.237 0.574 0.574
652 2HD2 LEU 85 HD23 LEU 85 6.139 0.031 0.031
653 3HD2 LEU 85 HD21 LEU 85 6.122 -0.970 -0.970
654 H ILE 86 HN ILE 86 3.595 2.090 2.090
655 HA ILE 86 HA ILE 86 2.641 0.531 0.531
656 HB ILE 86 HB ILE 86 2.040 3.341 3.341
657 1HG1 ILE 86 HG12 ILE 86 -0.228 2.559 2.559
658 2HG1 ILE 86 HG13 ILE 86 0.211 0.971 0.971
659 1HG2 ILE 86 HG22 ILE 86 1.778 1.861 1.861
660 2HG2 ILE 86 HG23 ILE 86 0.563 3.075 3.075
661 3HG2 ILE 86 HG21 ILE 86 2.274 3.542 3.542
662 1HD1 ILE 86 HD13 ILE 86 1.892 1.594 1.594
663 2HD1 ILE 86 HD11 ILE 86 0.189 1.870 1.870
664 3HD1 ILE 86 HD12 ILE 86 0.705 0.280 0.280
665 H ALA 87 HN ALA 87 3.782 -0.835 -0.835
666 HA ALA 87 HA ALA 87 4.773 0.336 0.336
667 1HB ALA 87 HB2 ALA 87 6.247 -1.040 -1.040
668 2HB ALA 87 HB3 ALA 87 6.404 -1.872 -1.872
669 3HB ALA 87 HB1 ALA 87 6.858 -0.156 -0.156
670 H GLY 88 HN GLY 88 3.495 -0.447 -0.447
671 1HA GLY 88 HA1 GLY 88 2.949 -3.328 -3.328
672 2HA GLY 88 HA2 GLY 88 1.589 -2.225 -2.225
673 H LYS 89 HN LYS 89 1.522 -3.664 -3.664
674 HA LYS 89 HA LYS 89 3.252 -3.183 -3.183
675 1HB LYS 89 HB2 LYS 89 0.285 -3.537 -3.537
676 2HB LYS 89 HB3 LYS 89 1.607 -4.126 -4.126
677 1HG LYS 89 HG2 LYS 89 2.288 -5.403 -5.403
678 2HG LYS 89 HG3 LYS 89 0.589 -5.185 -5.185
679 1HD LYS 89 HD2 LYS 89 0.548 -6.068 -6.068
680 2HD LYS 89 HD3 LYS 89 1.857 -6.994 -6.994
681 1HE LYS 89 HE2 LYS 89 0.225 -7.522 -7.522
682 2HE LYS 89 HE3 LYS 89 -1.043 -6.876 -6.876
683 1HZ LYS 89 HZ2 LYS 89 -0.381 -8.485 -8.485
684 2HZ LYS 89 HZ3 LYS 89 0.736 -9.114 -9.114
685 3HZ LYS 89 HZ1 LYS 89 -0.850 -9.217 -9.217
686 H ALA 90 HN ALA 90 0.786 -1.107 -1.107
687 HA ALA 90 HA ALA 90 0.456 1.079 1.079
688 1HB ALA 90 HB1 ALA 90 2.993 0.703 0.703
689 2HB ALA 90 HB2 ALA 90 2.043 1.711 1.711
690 3HB ALA 90 HB3 ALA 90 2.274 2.229 2.229
691 H GLU 91 HN GLU 91 -0.357 2.695 2.695
692 HA GLU 91 HA GLU 91 -1.691 1.091 1.091
693 1HB GLU 91 HB2 GLU 91 -3.117 1.729 1.729
694 2HB GLU 91 HB3 GLU 91 -3.197 3.312 3.312
695 1HG GLU 91 HG2 GLU 91 -5.134 1.861 1.861
696 2HG GLU 91 HG3 GLU 91 -4.204 2.381 2.381
697 H GLY 92 HN GLY 92 0.536 3.370 3.370
698 1HA GLY 92 HA1 GLY 92 1.201 4.453 4.453
699 2HA GLY 92 HA2 GLY 92 -0.403 5.158 5.158
700 H ASP 93 HN ASP 93 -0.491 7.235 7.235
701 HA ASP 93 HA ASP 93 1.301 7.908 7.908
702 1HB ASP 93 HB2 ASP 93 0.652 9.585 9.585
703 2HB ASP 93 HB3 ASP 93 1.486 10.215 10.215
704 H GLY 94 HN GLY 94 0.365 9.446 9.446
705 1HA GLY 94 HA1 GLY 94 -1.237 10.741 10.741
706 2HA GLY 94 HA2 GLY 94 -2.150 10.721 10.721
707 H LYS 95 HN LYS 95 -1.444 7.510 7.510
708 HA LYS 95 HA LYS 95 -3.109 6.800 6.800
709 1HB LYS 95 HB2 LYS 95 -5.174 6.310 6.310
710 2HB LYS 95 HB3 LYS 95 -4.783 7.853 7.853
711 1HG LYS 95 HG2 LYS 95 -4.192 5.165 5.165
712 2HG LYS 95 HG3 LYS 95 -5.654 6.085 6.085
713 1HD LYS 95 HD2 LYS 95 -2.796 7.022 7.022
714 2HD LYS 95 HD3 LYS 95 -3.975 6.552 6.552
715 1HE LYS 95 HE2 LYS 95 -4.060 8.986 8.986
716 2HE LYS 95 HE3 LYS 95 -3.998 8.966 8.966
717 1HZ LYS 95 HZ3 LYS 95 -6.187 7.787 7.787
718 2HZ LYS 95 HZ1 LYS 95 -6.243 8.183 8.183
719 3HZ LYS 95 HZ2 LYS 95 -6.203 9.358 9.358
720 H MET 96 HN MET 96 -3.112 4.514 4.514
721 HA MET 96 HA MET 96 -1.933 2.936 2.936
722 1HB MET 96 HB2 MET 96 -0.350 2.043 2.043
723 2HB MET 96 HB3 MET 96 0.157 3.343 3.343
724 1HG MET 96 HG2 MET 96 0.089 4.879 4.879
725 2HG MET 96 HG3 MET 96 -1.505 4.364 4.364
726 1HE MET 96 HE2 MET 96 1.890 4.696 4.696
727 2HE MET 96 HE3 MET 96 1.604 4.780 4.780
728 3HE MET 96 HE1 MET 96 2.549 3.436 3.436
729 H HIS 97 HN HIS 97 -1.375 0.598 0.598
730 HA HIS 97 HA HIS 97 -3.925 0.085 0.085
731 1HB HIS 97 HB2 HIS 97 -2.878 -1.085 -1.085
732 2HB HIS 97 HB3 HIS 97 -3.071 -2.319 -2.319
733 HD1 HIS 97 HD1 HIS 97 -4.912 -2.635 -2.635
734 HD2 HIS 97 HD2 HIS 97 -5.867 -0.150 -0.150
735 HE1 HIS 97 HE1 HIS 97 -7.450 -2.378 -2.378
736 H ILE 98 HN ILE 98 -3.774 -0.933 -0.933
737 HA ILE 98 HA ILE 98 -1.315 -2.349 -2.349
738 HB ILE 98 HB ILE 98 -0.948 -1.124 -1.124
739 1HG1 ILE 98 HG12 ILE 98 -3.291 0.569 0.569
740 2HG1 ILE 98 HG13 ILE 98 -3.166 -0.393 -0.393
741 1HG2 ILE 98 HG21 ILE 98 -0.024 -0.427 -0.427
742 2HG2 ILE 98 HG22 ILE 98 -1.055 1.005 1.005
743 3HG2 ILE 98 HG23 ILE 98 0.225 0.626 0.626
744 1HD1 ILE 98 HD12 ILE 98 -1.079 1.734 1.734
745 2HD1 ILE 98 HD13 ILE 98 -2.697 2.224 2.224
746 3HD1 ILE 98 HD11 ILE 98 -1.714 1.112 1.112
747 H THR 99 HN THR 99 -1.653 -4.083 -4.083
748 HA THR 99 HA THR 99 -4.249 -4.232 -4.232
749 HB THR 99 HB THR 99 -4.085 -6.760 -6.760
750 HG1 THR 99 HG1 THR 99 -2.887 -6.723 -6.723
751 1HG2 THR 99 HG22 THR 99 -5.413 -4.294 -4.294
752 2HG2 THR 99 HG23 THR 99 -5.061 -5.398 -5.398
753 3HG2 THR 99 HG21 THR 99 -6.038 -5.960 -5.960
754 H LEU 100 HN LEU 100 -4.327 -5.997 -5.997
755 HA LEU 100 HA LEU 100 -2.144 -5.808 -5.808
756 1HB LEU 100 HB2 LEU 100 -3.367 -7.051 -7.051
757 2HB LEU 100 HB3 LEU 100 -4.632 -6.482 -6.482
758 HG LEU 100 HG LEU 100 -3.342 -9.139 -9.139
759 1HD1 LEU 100 HD11 LEU 100 -4.909 -8.449 -8.449
760 2HD1 LEU 100 HD12 LEU 100 -5.556 -9.827 -9.827
761 3HD1 LEU 100 HD13 LEU 100 -3.876 -9.858 -9.858
762 1HD2 LEU 100 HD23 LEU 100 -5.224 -7.738 -7.738
763 2HD2 LEU 100 HD21 LEU 100 -5.094 -9.513 -9.513
764 3HD2 LEU 100 HD22 LEU 100 -6.255 -8.715 -8.715
765 H CYS 101 HN CYS 101 -3.074 -8.372 -8.372
766 HA CYS 101 HA CYS 101 -1.006 -10.113 -10.113
767 1HB CYS 101 HB2 CYS 101 -3.171 -10.260 -10.260
768 2HB CYS 101 HB3 CYS 101 -1.929 -10.037 -10.037
769 H ASP 102 HN ASP 102 -1.239 -7.189 -7.189
770 HA ASP 102 HA ASP 102 1.192 -7.640 -7.640
771 1HB ASP 102 HB2 ASP 102 -0.891 -6.017 -6.017
772 2HB ASP 102 HB3 ASP 102 0.058 -4.876 -4.876
773 H PHE 103 HN PHE 103 3.008 -5.808 -5.808
774 HA PHE 103 HA PHE 103 3.932 -5.906 -5.906
775 1HB PHE 103 HB2 PHE 103 5.511 -5.951 -5.951
776 2HB PHE 103 HB3 PHE 103 4.735 -4.594 -4.594
777 HD1 PHE 103 HD2 PHE 103 5.269 -4.306 -4.306
778 HD2 PHE 103 HD1 PHE 103 6.999 -3.604 -3.604
779 HE1 PHE 103 HE2 PHE 103 6.935 -2.746 -2.746
780 HE2 PHE 103 HE1 PHE 103 8.665 -2.043 -2.043
781 HZ PHE 103 HZ PHE 103 8.613 -1.633 -1.633
782 H ILE 104 HN ILE 104 3.337 -4.583 -4.583
783 HA ILE 104 HA ILE 104 3.283 -1.775 -1.775
784 HB ILE 104 HB ILE 104 0.829 -1.652 -1.652
785 1HG1 ILE 104 HG12 ILE 104 0.806 -4.334 -4.334
786 2HG1 ILE 104 HG13 ILE 104 0.483 -4.057 -4.057
787 1HG2 ILE 104 HG23 ILE 104 2.058 -1.162 -1.162
788 2HG2 ILE 104 HG21 ILE 104 0.818 -2.336 -2.336
789 3HG2 ILE 104 HG22 ILE 104 0.340 -0.838 -0.838
790 1HD1 ILE 104 HD13 ILE 104 -1.389 -2.432 -2.432
791 2HD1 ILE 104 HD11 ILE 104 -1.178 -3.187 -3.187
792 3HD1 ILE 104 HD12 ILE 104 -1.674 -4.177 -4.177
793 H VAL 105 HN VAL 105 3.763 -0.801 -0.801
794 HA VAL 105 HA VAL 105 3.060 -2.109 -2.109
795 HB VAL 105 HB VAL 105 5.751 -1.722 -1.722
796 1HG1 VAL 105 HG12 VAL 105 4.360 -3.552 -3.552
797 2HG1 VAL 105 HG13 VAL 105 4.335 -4.304 -4.304
798 3HG1 VAL 105 HG11 VAL 105 5.868 -4.170 -4.170
799 1HG2 VAL 105 HG22 VAL 105 5.383 -2.962 -2.962
800 2HG2 VAL 105 HG23 VAL 105 6.269 -1.470 -1.470
801 3HG2 VAL 105 HG21 VAL 105 6.880 -3.046 -3.046
802 HA PRO 106 HA PRO 106 3.184 2.018 2.018
803 1HB PRO 106 HB2 PRO 106 3.552 1.807 1.807
804 2HB PRO 106 HB3 PRO 106 2.002 1.556 1.556
805 1HG PRO 106 HG2 PRO 106 3.861 -0.453 -0.453
806 2HG PRO 106 HG3 PRO 106 2.161 -0.625 -0.625
807 1HD PRO 106 HD2 PRO 106 4.377 -1.608 -1.608
808 2HD PRO 106 HD3 PRO 106 2.683 -1.678 -1.678
809 H TRP 107 HN TRP 107 5.850 0.373 0.373
810 HA TRP 107 HA TRP 107 7.958 1.030 1.030
811 1HB TRP 107 HB2 TRP 107 6.973 3.252 3.252
812 2HB TRP 107 HB3 TRP 107 7.160 3.738 3.738
813 HD1 TRP 107 HD1 TRP 107 9.650 2.132 2.132
814 HE1 TRP 107 HE1 TRP 107 11.963 3.401 3.401
815 HE3 TRP 107 HE3 TRP 107 8.317 5.500 5.500
816 HZ2 TRP 107 HZ2 TRP 107 12.954 5.622 5.622
817 HZ3 TRP 107 HZ3 TRP 107 10.016 7.186 7.186
818 HH2 TRP 107 HH2 TRP 107 12.267 7.281 7.281
819 H ASP 108 HN ASP 108 6.579 2.586 2.586
820 HA ASP 108 HA ASP 108 8.872 2.048 2.048
821 1HB ASP 108 HB2 ASP 108 7.056 3.788 3.788
822 2HB ASP 108 HB3 ASP 108 6.026 2.481 2.481
823 H THR 109 HN THR 109 8.443 -0.384 -0.384
824 HA THR 109 HA THR 109 7.896 -2.092 -2.092
825 HB THR 109 HB THR 109 6.113 -3.368 -3.368
826 HG1 THR 109 HG1 THR 109 6.249 -0.679 -0.679
827 1HG2 THR 109 HG21 THR 109 5.564 -1.812 -1.812
828 2HG2 THR 109 HG22 THR 109 5.291 -0.532 -0.532
829 3HG2 THR 109 HG23 THR 109 4.276 -1.994 -1.994
830 H LEU 110 HN LEU 110 8.149 -2.056 -2.056
831 HA LEU 110 HA LEU 110 9.058 -3.955 -3.955
832 1HB LEU 110 HB2 LEU 110 11.308 -2.098 -2.098
833 2HB LEU 110 HB3 LEU 110 11.247 -3.137 -3.137
834 HG LEU 110 HG LEU 110 9.317 -0.856 -0.856
835 1HD1 LEU 110 HD12 LEU 110 11.775 -0.213 -0.213
836 2HD1 LEU 110 HD13 LEU 110 11.615 -0.803 -0.803
837 3HD1 LEU 110 HD11 LEU 110 10.597 0.542 0.542
838 1HD2 LEU 110 HD23 LEU 110 9.227 -3.031 -3.031
839 2HD2 LEU 110 HD21 LEU 110 8.166 -1.604 -1.604
840 3HD2 LEU 110 HD22 LEU 110 9.627 -1.579 -1.579
841 H SER 111 HN SER 111 12.126 -3.512 -3.512
842 HA SER 111 HA SER 111 12.323 -4.871 -4.871
843 1HB SER 111 HB2 SER 111 11.361 -6.810 -6.810
844 2HB SER 111 HB3 SER 111 12.598 -7.385 -7.385
845 HG SER 111 HG SER 111 11.242 -7.175 -7.175
846 H THR 112 HN THR 112 13.259 -5.172 -5.172
847 HA THR 112 HA THR 112 15.726 -4.195 -4.195
848 HB THR 112 HB THR 112 15.637 -6.820 -6.820
849 HG1 THR 112 HG1 THR 112 17.121 -5.580 -5.580
850 1HG2 THR 112 HG22 THR 112 17.727 -6.149 -6.149
851 2HG2 THR 112 HG23 THR 112 18.085 -7.203 -7.203
852 3HG2 THR 112 HG21 THR 112 16.843 -7.680 -7.680
853 H THR 113 HN THR 113 14.680 -7.542 -7.542
854 HA THR 113 HA THR 113 15.796 -7.515 -7.515
855 HB THR 113 HB THR 113 13.329 -8.857 -8.857
856 HG1 THR 113 HG1 THR 113 15.508 -9.421 -9.421
857 1HG2 THR 113 HG22 THR 113 14.005 -8.698 -8.698
858 2HG2 THR 113 HG23 THR 113 14.468 -10.316 -10.316
859 3HG2 THR 113 HG21 THR 113 12.792 -9.748 -9.748
860 H GLN 114 HN GLN 114 12.987 -5.744 -5.744
861 HA GLN 114 HA GLN 114 12.059 -5.277 -5.277
862 1HB GLN 114 HB2 GLN 114 11.160 -4.549 -4.549
863 2HB GLN 114 HB3 GLN 114 10.604 -3.539 -3.539
864 1HG GLN 114 HG2 GLN 114 8.931 -5.124 -5.124
865 2HG GLN 114 HG3 GLN 114 10.093 -5.946 -5.946
866 1HE2 GLN 114 HE22 GLN 114 11.261 -8.142 -8.142
867 2HE2 GLN 114 HE21 GLN 114 11.900 -7.043 -7.043
868 H LYS 115 HN LYS 115 14.061 -3.693 -3.693
869 HA LYS 115 HA LYS 115 14.029 -1.143 -1.143
870 1HB LYS 115 HB2 LYS 115 15.154 -2.373 -2.373
871 2HB LYS 115 HB3 LYS 115 16.286 -1.278 -1.278
872 1HG LYS 115 HG2 LYS 115 14.944 0.590 0.590
873 2HG LYS 115 HG3 LYS 115 13.451 -0.316 -0.316
874 1HD LYS 115 HD2 LYS 115 15.315 -0.153 -0.153
875 2HD LYS 115 HD3 LYS 115 13.630 0.320 0.320
876 1HE LYS 115 HE2 LYS 115 13.181 -2.211 -2.211
877 2HE LYS 115 HE3 LYS 115 14.794 -2.487 -2.487
878 1HZ LYS 115 HZ2 LYS 115 13.959 -1.147 -1.147
879 2HZ LYS 115 HZ3 LYS 115 12.459 -1.456 -1.456
880 3HZ LYS 115 HZ1 LYS 115 13.444 -2.689 -2.689
881 H LYS 116 HN LYS 116 16.161 -4.043 -4.043
882 HA LYS 116 HA LYS 116 18.213 -2.874 -2.874
883 1HB LYS 116 HB2 LYS 116 19.079 -5.046 -5.046
884 2HB LYS 116 HB3 LYS 116 18.242 -5.033 -5.033
885 1HG LYS 116 HG2 LYS 116 17.141 -6.882 -6.882
886 2HG LYS 116 HG3 LYS 116 16.221 -5.800 -5.800
887 1HD LYS 116 HD2 LYS 116 18.890 -6.590 -6.590
888 2HD LYS 116 HD3 LYS 116 17.740 -7.904 -7.904
889 1HE LYS 116 HE2 LYS 116 16.678 -7.205 -7.205
890 2HE LYS 116 HE3 LYS 116 16.301 -5.678 -5.678
891 1HZ LYS 116 HZ2 LYS 116 18.917 -6.192 -6.192
892 2HZ LYS 116 HZ3 LYS 116 17.668 -5.573 -5.573
893 3HZ LYS 116 HZ1 LYS 116 18.274 -4.752 -4.752
894 H SER 117 HN SER 117 14.959 -3.775 -3.775
895 HA SER 117 HA SER 117 15.636 -4.022 -4.022
896 1HB SER 117 HB2 SER 117 13.648 -5.148 -5.148
897 2HB SER 117 HB3 SER 117 12.770 -3.980 -3.980
898 HG SER 117 HG SER 117 13.899 -6.407 -6.407
899 H LEU 118 HN LEU 118 15.110 -1.554 -1.554
900 HA LEU 118 HA LEU 118 13.439 0.100 0.100
901 1HB LEU 118 HB2 LEU 118 14.869 0.477 0.477
902 2HB LEU 118 HB3 LEU 118 14.085 1.810 1.810
903 HG LEU 118 HG LEU 118 12.734 -0.721 -0.721
904 1HD1 LEU 118 HD11 LEU 118 13.340 1.813 1.813
905 2HD1 LEU 118 HD12 LEU 118 11.587 1.504 1.504
906 3HD1 LEU 118 HD13 LEU 118 12.683 0.310 0.310
907 1HD2 LEU 118 HD23 LEU 118 11.652 1.661 1.661
908 2HD2 LEU 118 HD21 LEU 118 11.563 -0.063 -0.063
909 3HD2 LEU 118 HD22 LEU 118 10.623 0.558 0.558
910 H ASN 119 HN ASN 119 16.867 -0.574 -0.574
911 HA ASN 119 HA ASN 119 17.543 1.808 1.808
912 1HB ASN 119 HB2 ASN 119 19.848 1.354 1.354
913 2HB ASN 119 HB3 ASN 119 18.849 1.141 1.141
914 1HD2 ASN 119 HD22 ASN 119 19.580 -2.207 -2.207
915 2HD2 ASN 119 HD21 ASN 119 18.776 -0.756 -0.756
916 H HIS 120 HN HIS 120 16.750 -1.491 -1.491
917 HA HIS 120 HA HIS 120 18.559 -1.886 -1.886
918 1HB HIS 120 HB2 HIS 120 18.202 -4.103 -4.103
919 2HB HIS 120 HB3 HIS 120 17.752 -3.603 -3.603
920 HD1 HIS 120 HD1 HIS 120 16.611 -6.211 -6.211
921 HD2 HIS 120 HD2 HIS 120 14.678 -2.493 -2.493
922 HE1 HIS 120 HE1 HIS 120 14.132 -6.712 -6.712
923 H ARG 121 HN ARG 121 16.596 0.289 0.289
924 HA ARG 121 HA ARG 121 15.280 1.164 1.164
925 1HB ARG 121 HB2 ARG 121 15.968 -1.377 -1.377
926 2HB ARG 121 HB3 ARG 121 14.761 -0.286 -0.286
927 1HG ARG 121 HG2 ARG 121 17.590 0.561 0.561
928 2HG ARG 121 HG3 ARG 121 17.105 0.156 0.156
929 1HD ARG 121 HD2 ARG 121 15.170 2.037 2.037
930 2HD ARG 121 HD3 ARG 121 16.726 2.659 2.659
931 HE ARG 121 HE ARG 121 15.810 2.290 2.290
932 1HH1 ARG 121 HH22 ARG 121 18.526 2.932 2.932
933 2HH1 ARG 121 HH21 ARG 121 19.506 3.634 3.634
934 1HH2 ARG 121 HH12 ARG 121 17.104 3.216 3.216
935 2HH2 ARG 121 HH11 ARG 121 18.693 3.797 3.797
936 H TYR 122 HN TYR 122 13.959 -1.795 -1.795
937 HA TYR 122 HA TYR 122 11.934 -2.111 -2.111
938 1HB TYR 122 HB2 TYR 122 10.114 -1.397 -1.397
939 2HB TYR 122 HB3 TYR 122 11.288 -0.096 -0.096
940 HD1 TYR 122 HD1 TYR 122 12.711 0.347 0.347
941 HD2 TYR 122 HD2 TYR 122 9.765 -2.756 -2.756
942 HE1 TYR 122 HE1 TYR 122 12.874 0.224 0.224
943 HE2 TYR 122 HE2 TYR 122 9.938 -2.868 -2.868
944 HH TYR 122 HH TYR 122 11.809 -0.510 -0.510
945 H GLN 123 HN GLN 123 14.117 -3.458 -3.458
946 HA GLN 123 HA GLN 123 13.045 -5.950 -5.950
947 1HB GLN 123 HB2 GLN 123 11.446 -4.924 -4.924
948 2HB GLN 123 HB3 GLN 123 12.814 -4.855 -4.855
949 1HG GLN 123 HG2 GLN 123 12.738 -7.494 -7.494
950 2HG GLN 123 HG3 GLN 123 11.131 -7.112 -7.112
951 1HE2 GLN 123 HE22 GLN 123 11.854 -7.697 -7.697
952 2HE2 GLN 123 HE21 GLN 123 10.718 -7.548 -7.548
953 H MET 124 HN MET 124 15.472 -5.077 -5.077
954 HA MET 124 HA MET 124 17.324 -5.103 -5.103
955 1HB MET 124 HB2 MET 124 17.268 -4.664 -4.664
956 2HB MET 124 HB3 MET 124 18.575 -5.774 -5.774
957 1HG MET 124 HG2 MET 124 18.443 -3.508 -3.508
958 2HG MET 124 HG3 MET 124 18.681 -2.985 -2.985
959 1HE MET 124 HE3 MET 124 19.560 -4.901 -4.901
960 2HE MET 124 HE1 MET 124 21.236 -4.322 -4.322
961 3HE MET 124 HE2 MET 124 20.915 -5.970 -5.970
962 H GLY 125 HN GLY 125 15.960 -7.313 -7.313
963 1HA GLY 125 HA1 GLY 125 16.041 -9.542 -9.542
964 2HA GLY 125 HA2 GLY 125 17.778 -9.351 -9.351
965 H CYS 126 HN CYS 126 15.819 -8.399 -8.399
966 HA CYS 126 HA CYS 126 17.177 -10.033 -10.033
967 1HB CYS 126 HB2 CYS 126 15.863 -9.156 -9.156
968 2HB CYS 126 HB3 CYS 126 15.627 -7.962 -7.962
969 H GLU 127 HN GLU 127 15.269 -11.427 -11.427
970 HA GLU 127 HA GLU 127 13.516 -12.982 -12.982
971 1HB GLU 127 HB2 GLU 127 15.596 -13.838 -13.838
972 2HB GLU 127 HB3 GLU 127 16.196 -14.368 -14.368
973 1HG GLU 127 HG2 GLU 127 14.211 -15.863 -15.863
974 2HG GLU 127 HG3 GLU 127 13.595 -15.325 -15.325
Start of MODEL 5
1 H CYS 1 HN CYS 1 -11.689 -10.826 -10.826
2 HA CYS 1 HA CYS 1 -9.341 -11.793 -11.793
3 1HB CYS 1 HB2 CYS 1 -8.725 -9.265 -9.265
4 2HB CYS 1 HB3 CYS 1 -9.002 -9.792 -9.792
5 H SER 2 HN SER 2 -7.799 -12.011 -12.011
6 HA SER 2 HA SER 2 -7.916 -10.932 -10.932
7 1HB SER 2 HB2 SER 2 -8.873 -13.347 -13.347
8 2HB SER 2 HB3 SER 2 -9.720 -11.812 -11.812
9 HG SER 2 HG SER 2 -9.834 -13.530 -13.530
10 H CYS 3 HN CYS 3 -5.775 -11.431 -11.431
11 HA CYS 3 HA CYS 3 -4.774 -14.077 -14.077
12 1HB CYS 3 HB2 CYS 3 -4.144 -13.863 -13.863
13 2HB CYS 3 HB3 CYS 3 -4.217 -12.112 -12.112
14 H SER 4 HN SER 4 -2.451 -14.127 -14.127
15 HA SER 4 HA SER 4 -2.302 -12.167 -12.167
16 1HB SER 4 HB2 SER 4 -0.509 -13.655 -13.655
17 2HB SER 4 HB3 SER 4 -2.013 -14.508 -14.508
18 HG SER 4 HG SER 4 -0.161 -14.465 -14.465
19 HA PRO 5 HA PRO 5 0.788 -9.948 -9.948
20 1HB PRO 5 HB2 PRO 5 1.425 -8.136 -8.136
21 2HB PRO 5 HB3 PRO 5 0.058 -7.944 -7.944
22 1HG PRO 5 HG2 PRO 5 0.075 -8.735 -8.735
23 2HG PRO 5 HG3 PRO 5 -1.258 -8.132 -8.132
24 1HD PRO 5 HD2 PRO 5 -0.798 -10.853 -10.853
25 2HD PRO 5 HD3 PRO 5 -2.066 -10.266 -10.266
26 H VAL 6 HN VAL 6 2.202 -11.742 -11.742
27 HA VAL 6 HA VAL 6 4.222 -11.827 -11.827
28 HB VAL 6 HB VAL 6 2.969 -13.899 -13.899
29 1HG1 VAL 6 HG11 VAL 6 3.681 -13.082 -13.082
30 2HG1 VAL 6 HG12 VAL 6 4.419 -14.667 -14.667
31 3HG1 VAL 6 HG13 VAL 6 2.663 -14.447 -14.447
32 1HG2 VAL 6 HG22 VAL 6 5.884 -13.547 -13.547
33 2HG2 VAL 6 HG23 VAL 6 4.823 -14.665 -14.665
34 3HG2 VAL 6 HG21 VAL 6 5.378 -15.079 -15.079
35 H HIS 7 HN HIS 7 5.717 -13.299 -13.299
36 HA HIS 7 HA HIS 7 7.559 -12.669 -12.669
37 1HB HIS 7 HB2 HIS 7 6.825 -10.877 -10.877
38 2HB HIS 7 HB3 HIS 7 6.411 -12.579 -12.579
39 HD1 HIS 7 HD1 HIS 7 3.987 -13.060 -13.060
40 HD2 HIS 7 HD2 HIS 7 4.603 -9.316 -9.316
41 HE1 HIS 7 HE1 HIS 7 1.687 -11.973 -11.973
42 HA PRO 8 HA PRO 8 8.615 -9.016 -9.016
43 1HB PRO 8 HB2 PRO 8 10.985 -9.950 -9.950
44 2HB PRO 8 HB3 PRO 8 9.461 -10.121 -10.121
45 1HG PRO 8 HG2 PRO 8 11.003 -12.168 -12.168
46 2HG PRO 8 HG3 PRO 8 9.733 -12.393 -12.393
47 1HD PRO 8 HD2 PRO 8 9.494 -12.671 -12.671
48 2HD PRO 8 HD3 PRO 8 8.200 -12.781 -12.781
49 H GLN 9 HN GLN 9 10.178 -10.774 -10.774
50 HA GLN 9 HA GLN 9 11.647 -8.328 -8.328
51 1HB GLN 9 HB2 GLN 9 13.170 -10.175 -10.175
52 2HB GLN 9 HB3 GLN 9 12.462 -11.213 -11.213
53 1HG GLN 9 HG2 GLN 9 13.931 -10.394 -10.394
54 2HG GLN 9 HG3 GLN 9 13.180 -8.818 -8.818
55 1HE2 GLN 9 HE22 GLN 9 15.477 -7.667 -7.667
56 2HE2 GLN 9 HE21 GLN 9 13.778 -7.765 -7.765
57 H GLN 10 HN GLN 10 9.868 -11.205 -11.205
58 HA GLN 10 HA GLN 10 9.983 -10.473 -10.473
59 1HB GLN 10 HB2 GLN 10 7.621 -11.971 -11.971
60 2HB GLN 10 HB3 GLN 10 8.461 -12.235 -12.235
61 1HG GLN 10 HG2 GLN 10 10.531 -12.724 -12.724
62 2HG GLN 10 HG3 GLN 10 9.225 -13.113 -13.113
63 1HE2 GLN 10 HE22 GLN 10 10.318 -16.150 -16.150
64 2HE2 GLN 10 HE21 GLN 10 11.105 -14.947 -14.947
65 H ALA 11 HN ALA 11 8.591 -8.810 -8.810
66 HA ALA 11 HA ALA 11 6.207 -7.954 -7.954
67 1HB ALA 11 HB1 ALA 11 7.408 -7.740 -7.740
68 2HB ALA 11 HB2 ALA 11 6.540 -6.282 -6.282
69 3HB ALA 11 HB3 ALA 11 5.700 -7.850 -7.850
70 H PHE 12 HN PHE 12 9.520 -6.779 -6.779
71 HA PHE 12 HA PHE 12 8.952 -4.242 -4.242
72 1HB PHE 12 HB2 PHE 12 11.434 -5.619 -5.619
73 2HB PHE 12 HB3 PHE 12 11.467 -3.978 -3.978
74 HD1 PHE 12 HD1 PHE 12 9.017 -5.800 -5.800
75 HD2 PHE 12 HD2 PHE 12 11.673 -2.514 -2.514
76 HE1 PHE 12 HE1 PHE 12 8.289 -4.946 -4.946
77 HE2 PHE 12 HE2 PHE 12 10.945 -1.660 -1.660
78 HZ PHE 12 HZ PHE 12 9.262 -2.886 -2.886
79 H CYS 13 HN CYS 13 9.376 -7.268 -7.268
80 HA CYS 13 HA CYS 13 11.090 -6.316 -6.316
81 1HB CYS 13 HB2 CYS 13 10.834 -8.922 -8.922
82 2HB CYS 13 HB3 CYS 13 10.956 -9.006 -9.006
83 H ASN 14 HN ASN 14 7.899 -7.135 -7.135
84 HA ASN 14 HA ASN 14 7.066 -7.830 -7.830
85 1HB ASN 14 HB2 ASN 14 6.170 -8.495 -8.495
86 2HB ASN 14 HB3 ASN 14 4.875 -7.573 -7.573
87 1HD2 ASN 14 HD22 ASN 14 5.647 -11.410 -11.410
88 2HD2 ASN 14 HD21 ASN 14 6.460 -10.549 -10.549
89 H ALA 15 HN ALA 15 6.700 -5.370 -5.370
90 HA ALA 15 HA ALA 15 4.673 -3.843 -3.843
91 1HB ALA 15 HB3 ALA 15 7.106 -3.089 -3.089
92 2HB ALA 15 HB1 ALA 15 5.729 -2.002 -2.002
93 3HB ALA 15 HB2 ALA 15 5.484 -3.520 -3.520
94 H ASP 16 HN ASP 16 5.131 -1.434 -1.434
95 HA ASP 16 HA ASP 16 7.383 -1.351 -1.351
96 1HB ASP 16 HB2 ASP 16 4.530 -1.654 -1.654
97 2HB ASP 16 HB3 ASP 16 5.469 -0.457 -0.457
98 H VAL 17 HN VAL 17 5.845 -0.006 -0.006
99 HA VAL 17 HA VAL 17 6.544 2.654 2.654
100 HB VAL 17 HB VAL 17 4.390 2.434 2.434
101 1HG1 VAL 17 HG11 VAL 17 3.464 0.834 0.834
102 2HG1 VAL 17 HG12 VAL 17 2.982 2.335 2.335
103 3HG1 VAL 17 HG13 VAL 17 2.355 1.973 1.973
104 1HG2 VAL 17 HG22 VAL 17 5.309 4.566 4.566
105 2HG2 VAL 17 HG23 VAL 17 3.654 4.561 4.561
106 3HG2 VAL 17 HG21 VAL 17 3.921 4.313 4.313
107 H VAL 18 HN VAL 18 7.854 2.401 2.401
108 HA VAL 18 HA VAL 18 6.399 1.928 1.928
109 HB VAL 18 HB VAL 18 9.359 2.173 2.173
110 1HG1 VAL 18 HG11 VAL 18 7.303 1.029 1.029
111 2HG1 VAL 18 HG12 VAL 18 8.577 -0.155 -0.155
112 3HG1 VAL 18 HG13 VAL 18 9.003 1.410 1.410
113 1HG2 VAL 18 HG22 VAL 18 8.745 0.876 0.876
114 2HG2 VAL 18 HG23 VAL 18 9.712 -0.037 -0.037
115 3HG2 VAL 18 HG21 VAL 18 7.960 -0.325 -0.325
116 H ILE 19 HN ILE 19 5.708 3.687 3.687
117 HA ILE 19 HA ILE 19 7.484 5.991 5.991
118 HB ILE 19 HB ILE 19 5.785 7.554 7.554
119 1HG1 ILE 19 HG12 ILE 19 3.971 5.193 5.193
120 2HG1 ILE 19 HG13 ILE 19 3.745 6.837 6.837
121 1HG2 ILE 19 HG21 ILE 19 7.103 6.219 6.219
122 2HG2 ILE 19 HG22 ILE 19 5.519 5.496 5.496
123 3HG2 ILE 19 HG23 ILE 19 5.743 7.258 7.258
124 1HD1 ILE 19 HD12 ILE 19 3.753 7.439 7.439
125 2HD1 ILE 19 HD13 ILE 19 3.356 5.714 5.714
126 3HD1 ILE 19 HD11 ILE 19 2.284 6.774 6.774
127 H ARG 20 HN ARG 20 7.719 6.670 6.670
128 HA ARG 20 HA ARG 20 6.178 5.358 5.358
129 1HB ARG 20 HB2 ARG 20 8.717 6.357 6.357
130 2HB ARG 20 HB3 ARG 20 7.912 7.714 7.714
131 1HG ARG 20 HG2 ARG 20 7.014 5.176 5.176
132 2HG ARG 20 HG3 ARG 20 8.759 5.317 5.317
133 1HD ARG 20 HD2 ARG 20 6.725 7.336 7.336
134 2HD ARG 20 HD3 ARG 20 7.776 6.315 6.315
135 HE ARG 20 HE ARG 20 9.210 8.047 8.047
136 1HH1 ARG 20 HH21 ARG 20 8.915 8.987 8.987
137 2HH1 ARG 20 HH22 ARG 20 7.886 7.761 7.761
138 1HH2 ARG 20 HH12 ARG 20 10.567 9.663 9.663
139 2HH2 ARG 20 HH11 ARG 20 10.450 10.076 10.076
140 H THR 21 HN THR 21 4.417 6.830 6.830
141 HA THR 21 HA THR 21 3.925 9.441 9.441
142 HB THR 21 HB THR 21 3.146 8.677 8.677
143 HG1 THR 21 HG1 THR 21 1.303 9.835 9.835
144 1HG2 THR 21 HG22 THR 21 2.713 6.222 6.222
145 2HG2 THR 21 HG23 THR 21 1.118 6.873 6.873
146 3HG2 THR 21 HG21 THR 21 1.635 6.878 6.878
147 H LYS 22 HN LYS 22 1.565 9.929 9.929
148 HA LYS 22 HA LYS 22 1.116 8.095 8.095
149 1HB LYS 22 HB2 LYS 22 0.876 9.965 9.965
150 2HB LYS 22 HB3 LYS 22 2.464 9.998 9.998
151 1HG LYS 22 HG2 LYS 22 1.798 11.759 11.759
152 2HG LYS 22 HG3 LYS 22 0.113 11.606 11.606
153 1HD LYS 22 HD2 LYS 22 2.408 12.706 12.706
154 2HD LYS 22 HD3 LYS 22 0.945 13.534 13.534
155 1HE LYS 22 HE2 LYS 22 -0.331 11.715 11.715
156 2HE LYS 22 HE3 LYS 22 1.229 11.335 11.335
157 1HZ LYS 22 HZ1 LYS 22 0.764 14.117 14.117
158 2HZ LYS 22 HZ2 LYS 22 -0.435 13.334 13.334
159 3HZ LYS 22 HZ3 LYS 22 1.115 13.138 13.138
160 H ALA 23 HN ALA 23 -0.930 7.345 7.345
161 HA ALA 23 HA ALA 23 -2.871 8.770 8.770
162 1HB ALA 23 HB1 ALA 23 -2.901 6.029 6.029
163 2HB ALA 23 HB2 ALA 23 -4.182 6.673 6.673
164 3HB ALA 23 HB3 ALA 23 -2.555 6.369 6.369
165 H VAL 24 HN VAL 24 -3.937 10.393 10.393
166 HA VAL 24 HA VAL 24 -4.710 9.878 9.878
167 HB VAL 24 HB VAL 24 -4.944 12.450 12.450
168 1HG1 VAL 24 HG11 VAL 24 -2.446 10.806 10.806
169 2HG1 VAL 24 HG12 VAL 24 -2.301 12.578 12.578
170 3HG1 VAL 24 HG13 VAL 24 -3.297 11.712 11.712
171 1HG2 VAL 24 HG23 VAL 24 -4.597 12.458 12.458
172 2HG2 VAL 24 HG21 VAL 24 -3.773 13.701 13.701
173 3HG2 VAL 24 HG22 VAL 24 -2.867 12.287 12.287
174 H SER 25 HN SER 25 -5.725 10.909 10.909
175 HA SER 25 HA SER 25 -8.468 10.819 10.819
176 1HB SER 25 HB2 SER 25 -8.330 12.981 12.981
177 2HB SER 25 HB3 SER 25 -7.080 12.583 12.583
178 HG SER 25 HG SER 25 -9.120 13.045 13.045
179 H GLU 26 HN GLU 26 -10.086 10.091 10.091
180 HA GLU 26 HA GLU 26 -8.886 8.383 8.383
181 1HB GLU 26 HB2 GLU 26 -10.516 7.332 7.332
182 2HB GLU 26 HB3 GLU 26 -10.475 6.469 6.469
183 1HG GLU 26 HG2 GLU 26 -8.562 5.490 5.490
184 2HG GLU 26 HG3 GLU 26 -7.773 7.029 7.029
185 H LYS 27 HN LYS 27 -10.972 7.104 7.104
186 HA LYS 27 HA LYS 27 -13.249 8.905 8.905
187 1HB LYS 27 HB2 LYS 27 -11.667 9.827 9.827
188 2HB LYS 27 HB3 LYS 27 -11.618 8.279 8.279
189 1HG LYS 27 HG2 LYS 27 -13.761 8.501 8.501
190 2HG LYS 27 HG3 LYS 27 -14.347 9.418 9.418
191 1HD LYS 27 HD2 LYS 27 -14.123 10.754 10.754
192 2HD LYS 27 HD3 LYS 27 -13.301 11.451 11.451
193 1HE LYS 27 HE2 LYS 27 -11.147 10.424 10.424
194 2HE LYS 27 HE3 LYS 27 -11.970 9.735 9.735
195 1HZ LYS 27 HZ2 LYS 27 -12.394 12.541 12.541
196 2HZ LYS 27 HZ3 LYS 27 -10.833 12.143 12.143
197 3HZ LYS 27 HZ1 LYS 27 -11.984 11.692 11.692
198 H GLU 28 HN GLU 28 -14.915 7.564 7.564
199 HA GLU 28 HA GLU 28 -14.669 4.801 4.801
200 1HB GLU 28 HB2 GLU 28 -15.921 5.690 5.690
201 2HB GLU 28 HB3 GLU 28 -17.073 6.461 6.461
202 1HG GLU 28 HG2 GLU 28 -17.133 3.863 3.863
203 2HG GLU 28 HG3 GLU 28 -16.815 3.590 3.590
204 H VAL 29 HN VAL 29 -14.449 4.429 4.429
205 HA VAL 29 HA VAL 29 -16.693 5.370 5.370
206 HB VAL 29 HB VAL 29 -15.197 5.077 5.077
207 1HG1 VAL 29 HG11 VAL 29 -15.116 7.100 7.100
208 2HG1 VAL 29 HG12 VAL 29 -13.397 6.666 6.666
209 3HG1 VAL 29 HG13 VAL 29 -14.337 7.138 7.138
210 1HG2 VAL 29 HG23 VAL 29 -13.225 4.130 4.130
211 2HG2 VAL 29 HG21 VAL 29 -13.791 3.272 3.272
212 3HG2 VAL 29 HG22 VAL 29 -12.729 4.692 4.692
213 H ASP 30 HN ASP 30 -18.248 3.853 3.853
214 HA ASP 30 HA ASP 30 -17.955 1.238 1.238
215 1HB ASP 30 HB2 ASP 30 -19.879 2.825 2.825
216 2HB ASP 30 HB3 ASP 30 -19.934 1.091 1.091
217 H SER 31 HN SER 31 -18.103 -0.736 -0.736
218 HA SER 31 HA SER 31 -16.975 -0.226 -0.226
219 1HB SER 31 HB2 SER 31 -14.912 -0.689 -0.689
220 2HB SER 31 HB3 SER 31 -15.590 -1.627 -1.627
221 HG SER 31 HG SER 31 -15.403 -2.506 -2.506
222 H GLY 32 HN GLY 32 -19.541 -1.245 -1.245
223 1HA GLY 32 HA1 GLY 32 -21.191 -2.646 -2.646
224 2HA GLY 32 HA2 GLY 32 -20.114 -3.346 -3.346
225 H ASN 33 HN ASN 33 -21.637 -5.186 -5.186
226 HA ASN 33 HA ASN 33 -20.441 -6.114 -6.114
227 1HB ASN 33 HB2 ASN 33 -22.336 -7.729 -7.729
228 2HB ASN 33 HB3 ASN 33 -22.173 -7.777 -7.777
229 1HD2 ASN 33 HD22 ASN 33 -24.223 -5.014 -5.014
230 2HD2 ASN 33 HD21 ASN 33 -22.978 -6.079 -6.079
231 H ASP 34 HN ASP 34 -19.649 -8.500 -8.500
232 HA ASP 34 HA ASP 34 -17.927 -8.913 -8.913
233 1HB ASP 34 HB2 ASP 34 -17.382 -9.056 -9.056
234 2HB ASP 34 HB3 ASP 34 -17.968 -10.698 -10.698
235 H ILE 35 HN ILE 35 -17.585 -11.803 -11.803
236 HA ILE 35 HA ILE 35 -19.928 -12.703 -12.703
237 HB ILE 35 HB ILE 35 -17.397 -14.133 -14.133
238 1HG1 ILE 35 HG12 ILE 35 -16.914 -13.875 -13.875
239 2HG1 ILE 35 HG13 ILE 35 -18.190 -12.674 -12.674
240 1HG2 ILE 35 HG22 ILE 35 -19.879 -15.048 -15.048
241 2HG2 ILE 35 HG23 ILE 35 -18.384 -15.478 -15.478
242 3HG2 ILE 35 HG21 ILE 35 -18.603 -15.967 -15.967
243 1HD1 ILE 35 HD11 ILE 35 -16.059 -12.442 -12.442
244 2HD1 ILE 35 HD12 ILE 35 -15.671 -11.953 -11.953
245 3HD1 ILE 35 HD13 ILE 35 -17.004 -11.160 -11.160
246 H TYR 36 HN TYR 36 -19.348 -12.090 -12.090
247 HA TYR 36 HA TYR 36 -20.788 -14.487 -14.487
248 1HB TYR 36 HB2 TYR 36 -18.442 -13.389 -13.389
249 2HB TYR 36 HB3 TYR 36 -19.529 -12.337 -12.337
250 HD1 TYR 36 HD1 TYR 36 -18.906 -15.985 -15.985
251 HD2 TYR 36 HD2 TYR 36 -20.256 -12.981 -12.981
252 HE1 TYR 36 HE1 TYR 36 -19.124 -17.737 -17.737
253 HE2 TYR 36 HE2 TYR 36 -20.469 -14.743 -14.743
254 HH TYR 36 HH TYR 36 -19.011 -17.526 -17.526
255 H GLY 37 HN GLY 37 -21.379 -11.375 -11.375
256 1HA GLY 37 HA1 GLY 37 -23.416 -10.313 -10.313
257 2HA GLY 37 HA2 GLY 37 -23.909 -11.289 -11.289
258 H ASN 38 HN ASN 38 -20.893 -10.452 -10.452
259 HA ASN 38 HA ASN 38 -21.893 -8.435 -8.435
260 1HB ASN 38 HB2 ASN 38 -19.384 -8.380 -8.380
261 2HB ASN 38 HB3 ASN 38 -20.259 -9.876 -9.876
262 1HD2 ASN 38 HD22 ASN 38 -17.005 -10.741 -10.741
263 2HD2 ASN 38 HD21 ASN 38 -17.602 -9.991 -9.991
264 HA PRO 39 HA PRO 39 -20.470 -5.022 -5.022
265 1HB PRO 39 HB2 PRO 39 -20.132 -3.108 -3.108
266 2HB PRO 39 HB3 PRO 39 -21.696 -3.529 -3.529
267 1HG PRO 39 HG2 PRO 39 -20.560 -4.226 -4.226
268 2HG PRO 39 HG3 PRO 39 -22.233 -4.261 -4.261
269 1HD PRO 39 HD2 PRO 39 -20.487 -6.515 -6.515
270 2HD PRO 39 HD3 PRO 39 -22.123 -6.536 -6.536
271 H ILE 40 HN ILE 40 -18.662 -4.541 -4.541
272 HA ILE 40 HA ILE 40 -16.238 -5.473 -5.473
273 HB ILE 40 HB ILE 40 -16.909 -3.743 -3.743
274 1HG1 ILE 40 HG12 ILE 40 -16.154 -6.670 -6.670
275 2HG1 ILE 40 HG13 ILE 40 -17.761 -6.046 -6.046
276 1HG2 ILE 40 HG23 ILE 40 -14.235 -4.838 -4.838
277 2HG2 ILE 40 HG21 ILE 40 -14.582 -4.310 -4.310
278 3HG2 ILE 40 HG22 ILE 40 -14.680 -3.145 -3.145
279 1HD1 ILE 40 HD13 ILE 40 -16.276 -4.748 -4.748
280 2HD1 ILE 40 HD11 ILE 40 -15.450 -6.321 -6.321
281 3HD1 ILE 40 HD12 ILE 40 -17.191 -6.255 -6.255
282 H LYS 41 HN LYS 41 -16.772 -2.080 -2.080
283 HA LYS 41 HA LYS 41 -16.255 -0.135 -0.135
284 1HB LYS 41 HB2 LYS 41 -17.651 -0.840 -0.840
285 2HB LYS 41 HB3 LYS 41 -16.280 -1.635 -1.635
286 1HG LYS 41 HG2 LYS 41 -16.613 0.596 0.596
287 2HG LYS 41 HG3 LYS 41 -15.077 0.538 0.538
288 1HD LYS 41 HD2 LYS 41 -16.029 2.599 2.599
289 2HD LYS 41 HD3 LYS 41 -16.332 1.520 1.520
290 1HE LYS 41 HE2 LYS 41 -18.643 1.159 1.159
291 2HE LYS 41 HE3 LYS 41 -18.369 1.987 1.987
292 1HZ LYS 41 HZ1 LYS 41 -17.612 3.768 3.768
293 2HZ LYS 41 HZ2 LYS 41 -18.957 3.083 3.083
294 3HZ LYS 41 HZ3 LYS 41 -19.010 3.794 3.794
295 H ARG 42 HN ARG 42 -14.349 0.913 0.913
296 HA ARG 42 HA ARG 42 -12.000 -0.475 -0.475
297 1HB ARG 42 HB2 ARG 42 -11.079 0.936 0.936
298 2HB ARG 42 HB3 ARG 42 -11.356 -0.793 -0.793
299 1HG ARG 42 HG2 ARG 42 -13.792 -0.338 -0.338
300 2HG ARG 42 HG3 ARG 42 -13.342 1.335 1.335
301 1HD ARG 42 HD2 ARG 42 -11.435 0.301 0.301
302 2HD ARG 42 HD3 ARG 42 -12.453 -1.127 -1.127
303 HE ARG 42 HE ARG 42 -14.153 1.058 1.058
304 1HH1 ARG 42 HH22 ARG 42 -11.379 -0.542 -0.542
305 2HH1 ARG 42 HH21 ARG 42 -11.833 -0.133 -0.133
306 1HH2 ARG 42 HH12 ARG 42 -14.753 1.598 1.598
307 2HH2 ARG 42 HH11 ARG 42 -13.765 1.092 1.092
308 H ILE 43 HN ILE 43 -12.584 1.156 1.156
309 HA ILE 43 HA ILE 43 -12.673 3.828 3.828
310 HB ILE 43 HB ILE 43 -11.905 1.878 1.878
311 1HG1 ILE 43 HG12 ILE 43 -13.021 3.686 3.686
312 2HG1 ILE 43 HG13 ILE 43 -13.346 4.531 4.531
313 1HG2 ILE 43 HG22 ILE 43 -10.454 4.529 4.529
314 2HG2 ILE 43 HG23 ILE 43 -10.743 3.572 3.572
315 3HG2 ILE 43 HG21 ILE 43 -9.775 2.891 2.891
316 1HD1 ILE 43 HD12 ILE 43 -14.041 1.711 1.711
317 2HD1 ILE 43 HD13 ILE 43 -14.863 2.425 2.425
318 3HD1 ILE 43 HD11 ILE 43 -15.072 3.147 3.147
319 H GLN 44 HN GLN 44 -11.274 5.583 5.583
320 HA GLN 44 HA GLN 44 -8.900 4.909 4.909
321 1HB GLN 44 HB2 GLN 44 -10.243 7.559 7.559
322 2HB GLN 44 HB3 GLN 44 -8.752 7.455 7.455
323 1HG GLN 44 HG2 GLN 44 -11.510 6.443 6.443
324 2HG GLN 44 HG3 GLN 44 -10.467 7.537 7.537
325 1HE2 GLN 44 HE22 GLN 44 -9.941 3.440 3.440
326 2HE2 GLN 44 HE21 GLN 44 -10.884 4.219 4.219
327 H TYR 45 HN TYR 45 -6.978 6.706 6.706
328 HA TYR 45 HA TYR 45 -6.586 6.676 6.676
329 1HB TYR 45 HB2 TYR 45 -5.131 5.315 5.315
330 2HB TYR 45 HB3 TYR 45 -4.073 6.189 6.189
331 HD1 TYR 45 HD2 TYR 45 -5.792 5.697 5.697
332 HD2 TYR 45 HD1 TYR 45 -4.354 3.111 3.111
333 HE1 TYR 45 HE2 TYR 45 -5.836 3.732 3.732
334 HE2 TYR 45 HE1 TYR 45 -4.404 1.155 1.155
335 HH TYR 45 HH TYR 45 -4.724 0.523 0.523
336 H GLU 46 HN GLU 46 -7.322 8.997 8.997
337 HA GLU 46 HA GLU 46 -5.656 10.598 10.598
338 1HB GLU 46 HB2 GLU 46 -8.091 10.958 10.958
339 2HB GLU 46 HB3 GLU 46 -7.194 11.732 11.732
340 1HG GLU 46 HG2 GLU 46 -6.217 13.349 13.349
341 2HG GLU 46 HG3 GLU 46 -6.741 12.454 12.454
342 H ILE 47 HN ILE 47 -3.553 9.614 9.614
343 HA ILE 47 HA ILE 47 -2.745 10.237 10.237
344 HB ILE 47 HB ILE 47 -0.508 9.640 9.640
345 1HG1 ILE 47 HG12 ILE 47 -1.853 9.829 9.829
346 2HG1 ILE 47 HG13 ILE 47 -0.318 10.494 10.494
347 1HG2 ILE 47 HG21 ILE 47 -2.825 8.013 8.013
348 2HG2 ILE 47 HG22 ILE 47 -1.843 7.434 7.434
349 3HG2 ILE 47 HG23 ILE 47 -1.127 7.546 7.546
350 1HD1 ILE 47 HD12 ILE 47 -0.069 7.693 7.693
351 2HD1 ILE 47 HD13 ILE 47 -0.878 7.894 7.894
352 3HD1 ILE 47 HD11 ILE 47 0.695 8.674 8.674
353 H LYS 48 HN LYS 48 -0.331 11.522 11.522
354 HA LYS 48 HA LYS 48 -0.984 14.128 14.128
355 1HB LYS 48 HB2 LYS 48 -1.284 13.746 13.746
356 2HB LYS 48 HB3 LYS 48 0.454 13.963 13.963
357 1HG LYS 48 HG2 LYS 48 0.288 16.158 16.158
358 2HG LYS 48 HG3 LYS 48 -1.399 15.919 15.919
359 1HD LYS 48 HD2 LYS 48 -0.739 17.339 17.339
360 2HD LYS 48 HD3 LYS 48 -2.136 16.281 16.281
361 1HE LYS 48 HE2 LYS 48 -0.817 14.500 14.500
362 2HE LYS 48 HE3 LYS 48 0.652 15.440 15.440
363 1HZ LYS 48 HZ3 LYS 48 -0.491 17.159 17.159
364 2HZ LYS 48 HZ1 LYS 48 -1.682 16.081 16.081
365 3HZ LYS 48 HZ2 LYS 48 -0.159 15.771 15.771
366 H GLN 49 HN GLN 49 0.949 11.475 11.475
367 HA GLN 49 HA GLN 49 2.951 11.054 11.054
368 1HB GLN 49 HB2 GLN 49 2.660 12.059 12.059
369 2HB GLN 49 HB3 GLN 49 2.220 13.606 13.606
370 1HG GLN 49 HG2 GLN 49 4.419 14.343 14.343
371 2HG GLN 49 HG3 GLN 49 5.057 12.738 12.738
372 1HE2 GLN 49 HE21 GLN 49 4.812 11.167 11.167
373 2HE2 GLN 49 HE22 GLN 49 5.162 11.737 11.737
374 H ILE 50 HN ILE 50 4.887 10.900 10.900
375 HA ILE 50 HA ILE 50 5.910 13.329 13.329
376 HB ILE 50 HB ILE 50 5.677 12.586 12.586
377 1HG1 ILE 50 HG12 ILE 50 6.913 10.044 10.044
378 2HG1 ILE 50 HG13 ILE 50 7.620 11.263 11.263
379 1HG2 ILE 50 HG22 ILE 50 3.532 11.743 11.743
380 2HG2 ILE 50 HG23 ILE 50 4.220 10.123 10.123
381 3HG2 ILE 50 HG21 ILE 50 3.888 11.187 11.187
382 1HD1 ILE 50 HD13 ILE 50 6.018 10.646 10.646
383 2HD1 ILE 50 HD11 ILE 50 5.330 9.390 9.390
384 3HD1 ILE 50 HD12 ILE 50 7.018 9.263 9.263
385 H LYS 51 HN LYS 51 6.372 10.069 10.069
386 HA LYS 51 HA LYS 51 9.057 10.870 10.870
387 1HB LYS 51 HB2 LYS 51 8.811 9.437 9.437
388 2HB LYS 51 HB3 LYS 51 8.921 8.135 8.135
389 1HG LYS 51 HG2 LYS 51 11.066 8.810 8.810
390 2HG LYS 51 HG3 LYS 51 10.865 10.452 10.452
391 1HD LYS 51 HD2 LYS 51 10.624 8.959 8.959
392 2HD LYS 51 HD3 LYS 51 11.826 8.055 8.055
393 1HE LYS 51 HE2 LYS 51 13.064 10.269 10.269
394 2HE LYS 51 HE3 LYS 51 11.938 11.019 11.019
395 1HZ LYS 51 HZ3 LYS 51 12.637 9.434 9.434
396 2HZ LYS 51 HZ1 LYS 51 13.698 8.753 8.753
397 3HZ LYS 51 HZ2 LYS 51 13.910 10.297 10.297
398 H MET 52 HN MET 52 9.979 9.308 9.308
399 HA MET 52 HA MET 52 7.927 7.720 7.720
400 1HB MET 52 HB2 MET 52 8.554 8.801 8.801
401 2HB MET 52 HB3 MET 52 7.690 9.865 9.865
402 1HG MET 52 HG2 MET 52 10.316 10.335 10.335
403 2HG MET 52 HG3 MET 52 10.509 10.019 10.019
404 1HE MET 52 HE2 MET 52 8.451 10.710 10.710
405 2HE MET 52 HE3 MET 52 7.909 12.404 12.404
406 3HE MET 52 HE1 MET 52 9.601 11.993 11.993
407 H PHE 53 HN PHE 53 9.623 6.247 6.247
408 HA PHE 53 HA PHE 53 12.203 5.967 5.967
409 1HB PHE 53 HB2 PHE 53 9.924 3.922 3.922
410 2HB PHE 53 HB3 PHE 53 11.598 3.411 3.411
411 HD1 PHE 53 HD2 PHE 53 13.138 4.878 4.878
412 HD2 PHE 53 HD1 PHE 53 9.012 3.987 3.987
413 HE1 PHE 53 HE2 PHE 53 13.336 5.190 5.190
414 HE2 PHE 53 HE1 PHE 53 9.211 4.298 4.298
415 HZ PHE 53 HZ PHE 53 11.371 4.896 4.896
416 H LYS 54 HN LYS 54 9.891 3.738 3.738
417 HA LYS 54 HA LYS 54 11.368 4.279 4.279
418 1HB LYS 54 HB2 LYS 54 12.108 2.151 2.151
419 2HB LYS 54 HB3 LYS 54 10.498 1.650 1.650
420 1HG LYS 54 HG2 LYS 54 11.360 0.701 0.701
421 2HG LYS 54 HG3 LYS 54 9.767 1.431 1.431
422 1HD LYS 54 HD2 LYS 54 10.854 3.597 3.597
423 2HD LYS 54 HD3 LYS 54 12.382 2.743 2.743
424 1HE LYS 54 HE2 LYS 54 10.453 1.128 1.128
425 2HE LYS 54 HE3 LYS 54 10.207 2.776 2.776
426 1HZ LYS 54 HZ3 LYS 54 12.953 1.987 1.987
427 2HZ LYS 54 HZ1 LYS 54 12.093 1.166 1.166
428 3HZ LYS 54 HZ2 LYS 54 12.178 2.796 2.796
429 H GLY 55 HN GLY 55 9.587 5.988 5.988
430 1HA GLY 55 HA1 GLY 55 7.177 4.743 4.743
431 2HA GLY 55 HA2 GLY 55 7.086 6.121 6.121
432 HA PRO 56 HA PRO 56 7.463 7.849 7.849
433 1HB PRO 56 HB2 PRO 56 5.373 9.602 9.602
434 2HB PRO 56 HB3 PRO 56 5.221 7.988 7.988
435 1HG PRO 56 HG2 PRO 56 4.307 9.004 9.004
436 2HG PRO 56 HG3 PRO 56 3.807 7.556 7.556
437 1HD PRO 56 HD2 PRO 56 5.593 7.700 7.700
438 2HD PRO 56 HD3 PRO 56 5.183 6.268 6.268
439 H GLU 57 HN GLU 57 7.303 10.405 10.405
440 HA GLU 57 HA GLU 57 9.232 11.478 11.478
441 1HB GLU 57 HB2 GLU 57 8.437 12.935 12.935
442 2HB GLU 57 HB3 GLU 57 10.015 12.794 12.794
443 1HG GLU 57 HG2 GLU 57 9.968 10.299 10.299
444 2HG GLU 57 HG3 GLU 57 8.540 10.652 10.652
445 H LYS 58 HN LYS 58 5.928 11.997 11.997
446 HA LYS 58 HA LYS 58 5.697 14.583 14.583
447 1HB LYS 58 HB2 LYS 58 4.474 13.483 13.483
448 2HB LYS 58 HB3 LYS 58 3.323 12.987 12.987
449 1HG LYS 58 HG2 LYS 58 2.422 15.065 15.065
450 2HG LYS 58 HG3 LYS 58 3.911 15.696 15.696
451 1HD LYS 58 HD2 LYS 58 3.518 15.206 15.206
452 2HD LYS 58 HD3 LYS 58 3.163 16.742 16.742
453 1HE LYS 58 HE2 LYS 58 5.733 16.158 16.158
454 2HE LYS 58 HE3 LYS 58 5.782 15.551 15.551
455 1HZ LYS 58 HZ3 LYS 58 4.693 17.797 17.797
456 2HZ LYS 58 HZ1 LYS 58 5.288 18.269 18.269
457 3HZ LYS 58 HZ2 LYS 58 6.301 17.742 17.742
458 H ASP 59 HN ASP 59 3.539 11.727 11.727
459 HA ASP 59 HA ASP 59 4.069 10.903 10.903
460 1HB ASP 59 HB2 ASP 59 4.240 13.014 13.014
461 2HB ASP 59 HB3 ASP 59 2.853 13.670 13.670
462 H ILE 60 HN ILE 60 1.932 10.246 10.246
463 HA ILE 60 HA ILE 60 -0.156 9.800 9.800
464 HB ILE 60 HB ILE 60 0.050 8.313 8.313
465 1HG1 ILE 60 HG12 ILE 60 2.335 8.391 8.391
466 2HG1 ILE 60 HG13 ILE 60 1.663 6.798 6.798
467 1HG2 ILE 60 HG23 ILE 60 -1.912 8.062 8.062
468 2HG2 ILE 60 HG21 ILE 60 -0.810 7.430 7.430
469 3HG2 ILE 60 HG22 ILE 60 -1.015 6.551 6.551
470 1HD1 ILE 60 HD13 ILE 60 1.539 8.302 8.302
471 2HD1 ILE 60 HD11 ILE 60 2.663 6.978 6.978
472 3HD1 ILE 60 HD12 ILE 60 0.914 6.662 6.662
473 H GLU 61 HN GLU 61 -0.059 10.041 10.041
474 HA GLU 61 HA GLU 61 -1.167 11.313 11.313
475 1HB GLU 61 HB2 GLU 61 -1.191 12.940 12.940
476 2HB GLU 61 HB3 GLU 61 -2.748 13.093 13.093
477 1HG GLU 61 HG2 GLU 61 -1.065 13.250 13.250
478 2HG GLU 61 HG3 GLU 61 -0.052 13.966 13.966
479 H PHE 62 HN PHE 62 -2.504 9.410 9.410
480 HA PHE 62 HA PHE 62 -4.912 9.057 9.057
481 1HB PHE 62 HB2 PHE 62 -4.664 10.360 10.360
482 2HB PHE 62 HB3 PHE 62 -5.777 9.007 9.007
483 HD1 PHE 62 HD1 PHE 62 -7.549 8.995 8.995
484 HD2 PHE 62 HD2 PHE 62 -5.475 12.443 12.443
485 HE1 PHE 62 HE1 PHE 62 -9.350 10.456 10.456
486 HE2 PHE 62 HE2 PHE 62 -7.276 13.903 13.903
487 HZ PHE 62 HZ PHE 62 -9.191 12.893 12.893
488 H ILE 63 HN ILE 63 -4.342 6.941 6.941
489 HA ILE 63 HA ILE 63 -3.721 5.180 5.180
490 HB ILE 63 HB ILE 63 -3.422 4.371 4.371
491 1HG1 ILE 63 HG12 ILE 63 -2.304 6.761 6.761
492 2HG1 ILE 63 HG13 ILE 63 -1.810 5.817 5.817
493 1HG2 ILE 63 HG21 ILE 63 -2.107 3.696 3.696
494 2HG2 ILE 63 HG22 ILE 63 -1.371 3.262 3.262
495 3HG2 ILE 63 HG23 ILE 63 -2.978 2.630 2.630
496 1HD1 ILE 63 HD12 ILE 63 -0.753 5.182 5.182
497 2HD1 ILE 63 HD13 ILE 63 0.015 6.411 6.411
498 3HD1 ILE 63 HD11 ILE 63 -0.068 4.717 4.717
499 H TYR 64 HN TYR 64 -4.616 2.834 2.834
500 HA TYR 64 HA TYR 64 -7.406 3.113 3.113
501 1HB TYR 64 HB2 TYR 64 -7.658 2.744 2.744
502 2HB TYR 64 HB3 TYR 64 -6.016 2.153 2.153
503 HD1 TYR 64 HD2 TYR 64 -5.575 -0.258 -0.258
504 HD2 TYR 64 HD1 TYR 64 -9.429 1.248 1.248
505 HE1 TYR 64 HE2 TYR 64 -6.458 -2.635 -2.635
506 HE2 TYR 64 HE1 TYR 64 -10.299 -1.133 -1.133
507 HH TYR 64 HH TYR 64 -9.371 -3.358 -3.358
508 H THR 65 HN THR 65 -8.351 1.323 1.323
509 HA THR 65 HA THR 65 -6.885 -1.101 -1.101
510 HB THR 65 HB THR 65 -5.607 0.439 0.439
511 HG1 THR 65 HG1 THR 65 -6.291 -1.890 -1.890
512 1HG2 THR 65 HG21 THR 65 -8.407 0.981 0.981
513 2HG2 THR 65 HG22 THR 65 -7.082 0.907 0.907
514 3HG2 THR 65 HG23 THR 65 -7.027 2.097 2.097
515 H ALA 66 HN ALA 66 -8.122 -1.832 -1.832
516 HA ALA 66 HA ALA 66 -10.900 -1.938 -1.938
517 1HB ALA 66 HB1 ALA 66 -8.988 -3.920 -3.920
518 2HB ALA 66 HB2 ALA 66 -10.540 -3.956 -3.956
519 3HB ALA 66 HB3 ALA 66 -10.508 -4.158 -4.158
520 HA PRO 67 HA PRO 67 -12.094 0.074 0.074
521 1HB PRO 67 HB2 PRO 67 -14.663 -0.804 -0.804
522 2HB PRO 67 HB3 PRO 67 -14.212 0.461 0.461
523 1HG PRO 67 HG2 PRO 67 -14.920 -2.353 -2.353
524 2HG PRO 67 HG3 PRO 67 -14.884 -0.990 -0.990
525 1HD PRO 67 HD2 PRO 67 -12.931 -3.080 -3.080
526 2HD PRO 67 HD3 PRO 67 -12.839 -1.656 -1.656
527 H SER 68 HN SER 68 -13.928 -0.733 -0.733
528 HA SER 68 HA SER 68 -13.919 -1.765 -1.765
529 1HB SER 68 HB2 SER 68 -13.506 -3.843 -3.843
530 2HB SER 68 HB3 SER 68 -12.538 -4.244 -4.244
531 HG SER 68 HG SER 68 -15.279 -3.414 -3.414
532 H SER 69 HN SER 69 -12.032 -3.649 -3.649
533 HA SER 69 HA SER 69 -9.988 -1.763 -1.763
534 1HB SER 69 HB2 SER 69 -10.910 -3.006 -3.006
535 2HB SER 69 HB3 SER 69 -10.685 -4.539 -4.539
536 HG SER 69 HG SER 69 -8.401 -2.887 -2.887
537 H ALA 70 HN ALA 70 -10.029 -2.832 -2.832
538 HA ALA 70 HA ALA 70 -8.336 -3.214 -3.214
539 1HB ALA 70 HB2 ALA 70 -6.858 -2.881 -2.881
540 2HB ALA 70 HB3 ALA 70 -6.562 -4.612 -4.612
541 3HB ALA 70 HB1 ALA 70 -6.163 -3.417 -3.417
542 H VAL 71 HN VAL 71 -9.657 -4.677 -4.677
543 HA VAL 71 HA VAL 71 -9.524 -7.450 -7.450
544 HB VAL 71 HB VAL 71 -11.629 -7.766 -7.766
545 1HG1 VAL 71 HG11 VAL 71 -11.575 -4.748 -4.748
546 2HG1 VAL 71 HG12 VAL 71 -13.045 -5.754 -5.754
547 3HG1 VAL 71 HG13 VAL 71 -11.817 -5.961 -5.961
548 1HG2 VAL 71 HG23 VAL 71 -10.875 -5.897 -5.897
549 2HG2 VAL 71 HG21 VAL 71 -11.521 -7.553 -7.553
550 3HG2 VAL 71 HG22 VAL 71 -12.596 -6.195 -6.195
551 H CYS 72 HN CYS 72 -8.724 -5.174 -5.174
552 HA CYS 72 HA CYS 72 -7.401 -7.390 -7.390
553 1HB CYS 72 HB2 CYS 72 -8.714 -5.162 -5.162
554 2HB CYS 72 HB3 CYS 72 -8.078 -6.681 -6.681
555 H GLY 73 HN GLY 73 -6.926 -4.888 -4.888
556 1HA GLY 73 HA1 GLY 73 -4.452 -4.087 -4.087
557 2HA GLY 73 HA2 GLY 73 -5.615 -2.814 -2.814
558 H VAL 74 HN VAL 74 -4.168 -1.783 -1.783
559 HA VAL 74 HA VAL 74 -3.903 -3.280 -3.280
560 HB VAL 74 HB VAL 74 -2.156 -1.141 -1.141
561 1HG1 VAL 74 HG13 VAL 74 -2.032 -2.434 -2.434
562 2HG1 VAL 74 HG11 VAL 74 -0.695 -1.516 -1.516
563 3HG1 VAL 74 HG12 VAL 74 -2.241 -0.708 -0.708
564 1HG2 VAL 74 HG21 VAL 74 -2.095 -3.712 -3.712
565 2HG2 VAL 74 HG22 VAL 74 -0.601 -2.768 -2.768
566 3HG2 VAL 74 HG23 VAL 74 -1.164 -3.835 -3.835
567 H SER 75 HN SER 75 -5.789 -1.054 -1.054
568 HA SER 75 HA SER 75 -6.809 0.829 0.829
569 1HB SER 75 HB2 SER 75 -8.478 0.414 0.414
570 2HB SER 75 HB3 SER 75 -8.086 -1.154 -1.154
571 HG SER 75 HG SER 75 -8.185 -1.153 -1.153
572 H LEU 76 HN LEU 76 -4.982 2.297 2.297
573 HA LEU 76 HA LEU 76 -4.165 2.697 2.697
574 1HB LEU 76 HB2 LEU 76 -2.746 4.095 4.095
575 2HB LEU 76 HB3 LEU 76 -2.130 3.341 3.341
576 HG LEU 76 HG LEU 76 -2.977 1.160 1.160
577 1HD1 LEU 76 HD12 LEU 76 -2.915 3.255 3.255
578 2HD1 LEU 76 HD13 LEU 76 -1.404 2.352 2.352
579 3HD1 LEU 76 HD11 LEU 76 -2.970 1.509 1.509
580 1HD2 LEU 76 HD22 LEU 76 -0.561 2.250 2.250
581 2HD2 LEU 76 HD23 LEU 76 -0.922 0.564 0.564
582 3HD2 LEU 76 HD21 LEU 76 -0.237 1.677 1.677
583 H ASP 77 HN ASP 77 -4.593 4.608 4.608
584 HA ASP 77 HA ASP 77 -6.003 6.592 6.592
585 1HB ASP 77 HB2 ASP 77 -7.043 7.091 7.091
586 2HB ASP 77 HB3 ASP 77 -7.755 5.912 5.912
587 H VAL 78 HN VAL 78 -3.196 5.853 5.853
588 HA VAL 78 HA VAL 78 -1.498 7.072 7.072
589 HB VAL 78 HB VAL 78 -3.260 9.133 9.133
590 1HG1 VAL 78 HG13 VAL 78 -1.352 9.731 9.731
591 2HG1 VAL 78 HG11 VAL 78 -1.431 10.856 10.856
592 3HG1 VAL 78 HG12 VAL 78 -2.896 10.510 10.510
593 1HG2 VAL 78 HG23 VAL 78 -0.927 7.752 7.752
594 2HG2 VAL 78 HG21 VAL 78 -1.683 9.103 9.103
595 3HG2 VAL 78 HG22 VAL 78 -0.395 9.423 9.423
596 H GLY 79 HN GLY 79 -4.621 8.570 8.570
597 1HA GLY 79 HA1 GLY 79 -3.789 9.407 9.407
598 2HA GLY 79 HA2 GLY 79 -5.423 8.946 8.946
599 H GLY 80 HN GLY 80 -3.900 6.185 6.185
600 1HA GLY 80 HA1 GLY 80 -4.025 5.110 5.110
601 2HA GLY 80 HA2 GLY 80 -4.627 4.267 4.267
602 H LYS 81 HN LYS 81 -2.296 5.369 5.369
603 HA LYS 81 HA LYS 81 -0.241 3.582 3.582
604 1HB LYS 81 HB2 LYS 81 0.097 3.812 3.812
605 2HB LYS 81 HB3 LYS 81 -0.344 2.394 2.394
606 1HG LYS 81 HG2 LYS 81 -2.378 4.495 4.495
607 2HG LYS 81 HG3 LYS 81 -1.995 3.084 3.084
608 1HD LYS 81 HD2 LYS 81 -3.014 1.601 1.601
609 2HD LYS 81 HD3 LYS 81 -2.677 2.597 2.597
610 1HE LYS 81 HE2 LYS 81 -4.893 3.160 3.160
611 2HE LYS 81 HE3 LYS 81 -4.374 4.262 4.262
612 1HZ LYS 81 HZ1 LYS 81 -4.675 1.759 1.759
613 2HZ LYS 81 HZ2 LYS 81 -6.012 2.037 2.037
614 3HZ LYS 81 HZ3 LYS 81 -5.573 3.097 3.097
615 H LYS 82 HN LYS 82 0.109 5.614 5.614
616 HA LYS 82 HA LYS 82 0.956 7.970 7.970
617 1HB LYS 82 HB2 LYS 82 3.497 7.616 7.616
618 2HB LYS 82 HB3 LYS 82 2.510 7.188 7.188
619 1HG LYS 82 HG2 LYS 82 2.595 4.871 4.871
620 2HG LYS 82 HG3 LYS 82 4.235 5.482 5.482
621 1HD LYS 82 HD2 LYS 82 4.461 4.664 4.664
622 2HD LYS 82 HD3 LYS 82 3.112 5.639 5.639
623 1HE LYS 82 HE2 LYS 82 1.660 3.867 3.867
624 2HE LYS 82 HE3 LYS 82 2.247 3.283 3.283
625 1HZ LYS 82 HZ3 LYS 82 4.299 2.826 2.826
626 2HZ LYS 82 HZ1 LYS 82 2.993 2.479 2.479
627 3HZ LYS 82 HZ2 LYS 82 3.218 1.712 1.712
628 H GLU 83 HN GLU 83 3.226 5.779 5.779
629 HA GLU 83 HA GLU 83 2.185 6.756 6.756
630 1HB GLU 83 HB2 GLU 83 5.164 7.026 7.026
631 2HB GLU 83 HB3 GLU 83 4.171 7.790 7.790
632 1HG GLU 83 HG2 GLU 83 4.470 9.576 9.576
633 2HG GLU 83 HG3 GLU 83 2.955 8.924 8.924
634 H TYR 84 HN TYR 84 3.216 5.568 5.568
635 HA TYR 84 HA TYR 84 4.584 3.116 3.116
636 1HB TYR 84 HB2 TYR 84 2.806 1.869 1.869
637 2HB TYR 84 HB3 TYR 84 2.167 2.561 2.561
638 HD1 TYR 84 HD2 TYR 84 2.736 3.682 3.682
639 HD2 TYR 84 HD1 TYR 84 0.096 3.572 3.572
640 HE1 TYR 84 HE2 TYR 84 0.966 4.922 4.922
641 HE2 TYR 84 HE1 TYR 84 -1.665 4.813 4.813
642 HH TYR 84 HH TYR 84 -1.119 5.564 5.564
643 H LEU 85 HN LEU 85 5.601 2.035 2.035
644 HA LEU 85 HA LEU 85 6.324 3.940 3.940
645 1HB LEU 85 HB2 LEU 85 7.921 2.168 2.168
646 2HB LEU 85 HB3 LEU 85 8.099 2.738 2.738
647 HG LEU 85 HG LEU 85 8.255 0.187 0.187
648 1HD1 LEU 85 HD12 LEU 85 7.860 1.634 1.634
649 2HD1 LEU 85 HD13 LEU 85 6.526 0.458 0.458
650 3HD1 LEU 85 HD11 LEU 85 8.206 -0.110 -0.110
651 1HD2 LEU 85 HD23 LEU 85 5.254 0.545 0.545
652 2HD2 LEU 85 HD21 LEU 85 6.150 -0.007 -0.007
653 3HD2 LEU 85 HD22 LEU 85 6.121 -1.009 -1.009
654 H ILE 86 HN ILE 86 3.653 2.092 2.092
655 HA ILE 86 HA ILE 86 2.623 0.559 0.559
656 HB ILE 86 HB ILE 86 2.104 3.393 3.393
657 1HG1 ILE 86 HG12 ILE 86 -0.143 2.710 2.710
658 2HG1 ILE 86 HG13 ILE 86 0.141 1.124 1.124
659 1HG2 ILE 86 HG21 ILE 86 1.767 1.858 1.858
660 2HG2 ILE 86 HG22 ILE 86 0.524 3.043 3.043
661 3HG2 ILE 86 HG23 ILE 86 2.215 3.560 3.560
662 1HD1 ILE 86 HD13 ILE 86 1.989 1.617 1.617
663 2HD1 ILE 86 HD11 ILE 86 0.299 1.831 1.831
664 3HD1 ILE 86 HD12 ILE 86 0.818 0.293 0.293
665 H ALA 87 HN ALA 87 3.800 -0.838 -0.838
666 HA ALA 87 HA ALA 87 4.748 0.279 0.279
667 1HB ALA 87 HB1 ALA 87 6.144 -1.343 -1.343
668 2HB ALA 87 HB2 ALA 87 6.395 -1.848 -1.848
669 3HB ALA 87 HB3 ALA 87 6.801 -0.190 -0.190
670 H GLY 88 HN GLY 88 3.306 -0.426 -0.426
671 1HA GLY 88 HA1 GLY 88 2.705 -3.305 -3.305
672 2HA GLY 88 HA2 GLY 88 1.385 -2.152 -2.152
673 H LYS 89 HN LYS 89 1.510 -3.825 -3.825
674 HA LYS 89 HA LYS 89 3.138 -3.310 -3.310
675 1HB LYS 89 HB2 LYS 89 1.317 -4.095 -4.095
676 2HB LYS 89 HB3 LYS 89 1.449 -5.066 -5.066
677 1HG LYS 89 HG2 LYS 89 -0.322 -2.972 -2.972
678 2HG LYS 89 HG3 LYS 89 -0.790 -3.411 -3.411
679 1HD LYS 89 HD2 LYS 89 -1.416 -5.578 -5.578
680 2HD LYS 89 HD3 LYS 89 -0.262 -5.667 -5.667
681 1HE LYS 89 HE2 LYS 89 -2.035 -5.276 -5.276
682 2HE LYS 89 HE3 LYS 89 -1.932 -3.609 -3.609
683 1HZ LYS 89 HZ2 LYS 89 -3.310 -5.045 -5.045
684 2HZ LYS 89 HZ3 LYS 89 -3.965 -5.423 -5.423
685 3HZ LYS 89 HZ1 LYS 89 -3.879 -3.862 -3.862
686 H ALA 90 HN ALA 90 0.661 -1.214 -1.214
687 HA ALA 90 HA ALA 90 0.358 0.977 0.977
688 1HB ALA 90 HB3 ALA 90 2.863 0.820 0.820
689 2HB ALA 90 HB1 ALA 90 2.123 1.083 1.083
690 3HB ALA 90 HB2 ALA 90 1.900 2.286 2.286
691 H GLU 91 HN GLU 91 -0.424 2.549 2.549
692 HA GLU 91 HA GLU 91 -1.915 0.866 0.866
693 1HB GLU 91 HB2 GLU 91 -3.231 1.756 1.756
694 2HB GLU 91 HB3 GLU 91 -3.205 3.296 3.296
695 1HG GLU 91 HG2 GLU 91 -5.271 1.971 1.971
696 2HG GLU 91 HG3 GLU 91 -4.345 2.335 2.335
697 H GLY 92 HN GLY 92 -0.514 4.043 4.043
698 1HA GLY 92 HA1 GLY 92 0.495 4.614 4.614
699 2HA GLY 92 HA2 GLY 92 -1.106 5.325 5.325
700 H ASP 93 HN ASP 93 -0.749 7.511 7.511
701 HA ASP 93 HA ASP 93 1.065 8.253 8.253
702 1HB ASP 93 HB2 ASP 93 0.298 9.503 9.503
703 2HB ASP 93 HB3 ASP 93 0.665 10.595 10.595
704 H GLY 94 HN GLY 94 0.206 9.508 9.508
705 1HA GLY 94 HA1 GLY 94 -1.269 10.844 10.844
706 2HA GLY 94 HA2 GLY 94 -2.305 10.905 10.905
707 H LYS 95 HN LYS 95 -1.681 7.675 7.675
708 HA LYS 95 HA LYS 95 -3.196 6.912 6.912
709 1HB LYS 95 HB2 LYS 95 -5.292 6.385 6.385
710 2HB LYS 95 HB3 LYS 95 -4.961 7.992 7.992
711 1HG LYS 95 HG2 LYS 95 -4.262 5.495 5.495
712 2HG LYS 95 HG3 LYS 95 -5.851 6.228 6.228
713 1HD LYS 95 HD2 LYS 95 -5.109 7.987 7.987
714 2HD LYS 95 HD3 LYS 95 -3.664 8.201 8.201
715 1HE LYS 95 HE2 LYS 95 -2.402 7.080 7.080
716 2HE LYS 95 HE3 LYS 95 -3.469 5.691 5.691
717 1HZ LYS 95 HZ3 LYS 95 -4.959 7.008 7.008
718 2HZ LYS 95 HZ1 LYS 95 -3.729 8.062 8.062
719 3HZ LYS 95 HZ2 LYS 95 -3.559 6.505 6.505
720 H MET 96 HN MET 96 -3.088 4.654 4.654
721 HA MET 96 HA MET 96 -1.944 3.147 3.147
722 1HB MET 96 HB2 MET 96 -0.689 2.373 2.373
723 2HB MET 96 HB3 MET 96 0.089 2.886 2.886
724 1HG MET 96 HG2 MET 96 -0.590 5.317 5.317
725 2HG MET 96 HG3 MET 96 -0.872 4.621 4.621
726 1HE MET 96 HE2 MET 96 0.522 3.723 3.723
727 2HE MET 96 HE3 MET 96 2.301 3.676 3.676
728 3HE MET 96 HE1 MET 96 1.451 5.221 5.221
729 H HIS 97 HN HIS 97 -1.365 0.815 0.815
730 HA HIS 97 HA HIS 97 -3.983 0.230 0.230
731 1HB HIS 97 HB2 HIS 97 -2.892 -0.884 -0.884
732 2HB HIS 97 HB3 HIS 97 -3.312 -2.123 -2.123
733 HD1 HIS 97 HD1 HIS 97 -5.121 -2.509 -2.509
734 HD2 HIS 97 HD2 HIS 97 -5.792 0.677 0.677
735 HE1 HIS 97 HE1 HIS 97 -7.574 -1.863 -1.863
736 H ILE 98 HN ILE 98 -3.766 -0.707 -0.707
737 HA ILE 98 HA ILE 98 -1.375 -2.311 -2.311
738 HB ILE 98 HB ILE 98 -0.831 -1.194 -1.194
739 1HG1 ILE 98 HG12 ILE 98 -3.424 0.263 0.263
740 2HG1 ILE 98 HG13 ILE 98 -2.829 -0.557 -0.557
741 1HG2 ILE 98 HG21 ILE 98 -0.318 -0.176 -0.176
742 2HG2 ILE 98 HG22 ILE 98 -1.201 1.202 1.202
743 3HG2 ILE 98 HG23 ILE 98 0.255 0.574 0.574
744 1HD1 ILE 98 HD11 ILE 98 -1.008 1.597 1.597
745 2HD1 ILE 98 HD12 ILE 98 -2.663 2.202 2.202
746 3HD1 ILE 98 HD13 ILE 98 -1.828 1.329 1.329
747 H THR 99 HN THR 99 -1.642 -3.869 -3.869
748 HA THR 99 HA THR 99 -4.285 -4.073 -4.073
749 HB THR 99 HB THR 99 -4.001 -6.638 -6.638
750 HG1 THR 99 HG1 THR 99 -3.122 -6.373 -6.373
751 1HG2 THR 99 HG22 THR 99 -5.536 -4.223 -4.223
752 2HG2 THR 99 HG23 THR 99 -5.283 -5.388 -5.388
753 3HG2 THR 99 HG21 THR 99 -6.091 -5.905 -5.905
754 H LEU 100 HN LEU 100 -4.384 -5.922 -5.922
755 HA LEU 100 HA LEU 100 -2.212 -5.701 -5.701
756 1HB LEU 100 HB2 LEU 100 -3.466 -6.900 -6.900
757 2HB LEU 100 HB3 LEU 100 -4.718 -6.349 -6.349
758 HG LEU 100 HG LEU 100 -3.407 -9.042 -9.042
759 1HD1 LEU 100 HD11 LEU 100 -5.483 -8.236 -8.236
760 2HD1 LEU 100 HD12 LEU 100 -5.592 -9.833 -9.833
761 3HD1 LEU 100 HD13 LEU 100 -4.136 -9.391 -9.391
762 1HD2 LEU 100 HD23 LEU 100 -5.276 -7.588 -7.588
763 2HD2 LEU 100 HD21 LEU 100 -4.844 -9.305 -9.305
764 3HD2 LEU 100 HD22 LEU 100 -6.221 -8.836 -8.836
765 H CYS 101 HN CYS 101 -3.223 -8.383 -8.383
766 HA CYS 101 HA CYS 101 -1.121 -10.069 -10.069
767 1HB CYS 101 HB2 CYS 101 -3.274 -10.532 -10.532
768 2HB CYS 101 HB3 CYS 101 -2.393 -9.954 -9.954
769 H ASP 102 HN ASP 102 -1.269 -7.062 -7.062
770 HA ASP 102 HA ASP 102 1.067 -7.619 -7.619
771 1HB ASP 102 HB2 ASP 102 -1.022 -5.984 -5.984
772 2HB ASP 102 HB3 ASP 102 -0.026 -4.837 -4.837
773 H PHE 103 HN PHE 103 2.919 -5.838 -5.838
774 HA PHE 103 HA PHE 103 3.893 -5.883 -5.883
775 1HB PHE 103 HB2 PHE 103 5.425 -5.978 -5.978
776 2HB PHE 103 HB3 PHE 103 4.651 -4.617 -4.617
777 HD1 PHE 103 HD2 PHE 103 5.263 -4.290 -4.290
778 HD2 PHE 103 HD1 PHE 103 6.934 -3.676 -3.676
779 HE1 PHE 103 HE2 PHE 103 6.976 -2.746 -2.746
780 HE2 PHE 103 HE1 PHE 103 8.647 -2.132 -2.132
781 HZ PHE 103 HZ PHE 103 8.648 -1.685 -1.685
782 H ILE 104 HN ILE 104 3.296 -4.543 -4.543
783 HA ILE 104 HA ILE 104 3.294 -1.737 -1.737
784 HB ILE 104 HB ILE 104 0.845 -1.559 -1.559
785 1HG1 ILE 104 HG12 ILE 104 0.719 -4.226 -4.226
786 2HG1 ILE 104 HG13 ILE 104 0.519 -3.999 -3.999
787 1HG2 ILE 104 HG23 ILE 104 2.089 -1.159 -1.159
788 2HG2 ILE 104 HG21 ILE 104 0.776 -2.269 -2.269
789 3HG2 ILE 104 HG22 ILE 104 0.400 -0.734 -0.734
790 1HD1 ILE 104 HD13 ILE 104 -1.380 -2.350 -2.350
791 2HD1 ILE 104 HD11 ILE 104 -1.270 -2.952 -2.952
792 3HD1 ILE 104 HD12 ILE 104 -1.700 -4.065 -4.065
793 H VAL 105 HN VAL 105 3.826 -0.766 -0.766
794 HA VAL 105 HA VAL 105 3.095 -2.037 -2.037
795 HB VAL 105 HB VAL 105 5.805 -1.669 -1.669
796 1HG1 VAL 105 HG12 VAL 105 4.017 -3.547 -3.547
797 2HG1 VAL 105 HG13 VAL 105 4.825 -4.397 -4.397
798 3HG1 VAL 105 HG11 VAL 105 5.768 -3.859 -3.859
799 1HG2 VAL 105 HG22 VAL 105 5.368 -2.986 -2.986
800 2HG2 VAL 105 HG23 VAL 105 6.290 -1.503 -1.503
801 3HG2 VAL 105 HG21 VAL 105 6.878 -3.072 -3.072
802 HA PRO 106 HA PRO 106 3.264 2.103 2.103
803 1HB PRO 106 HB2 PRO 106 3.580 1.908 1.908
804 2HB PRO 106 HB3 PRO 106 2.040 1.682 1.682
805 1HG PRO 106 HG2 PRO 106 3.840 -0.354 -0.354
806 2HG PRO 106 HG3 PRO 106 2.143 -0.497 -0.497
807 1HD PRO 106 HD2 PRO 106 4.365 -1.535 -1.535
808 2HD PRO 106 HD3 PRO 106 2.679 -1.577 -1.577
809 H TRP 107 HN TRP 107 5.919 0.344 0.344
810 HA TRP 107 HA TRP 107 8.037 0.991 0.991
811 1HB TRP 107 HB2 TRP 107 6.975 3.292 3.292
812 2HB TRP 107 HB3 TRP 107 7.455 3.702 3.702
813 HD1 TRP 107 HD1 TRP 107 9.535 1.791 1.791
814 HE1 TRP 107 HE1 TRP 107 11.863 2.976 2.976
815 HE3 TRP 107 HE3 TRP 107 8.678 5.657 5.657
816 HZ2 TRP 107 HZ2 TRP 107 13.058 5.342 5.342
817 HZ3 TRP 107 HZ3 TRP 107 10.477 7.361 7.361
818 HH2 TRP 107 HH2 TRP 107 12.608 7.249 7.249
819 H ASP 108 HN ASP 108 6.622 2.519 2.519
820 HA ASP 108 HA ASP 108 8.881 1.932 1.932
821 1HB ASP 108 HB2 ASP 108 7.139 3.700 3.700
822 2HB ASP 108 HB3 ASP 108 6.007 2.428 2.428
823 H THR 109 HN THR 109 8.423 -0.474 -0.474
824 HA THR 109 HA THR 109 7.835 -2.216 -2.216
825 HB THR 109 HB THR 109 6.016 -3.431 -3.431
826 HG1 THR 109 HG1 THR 109 6.111 -2.494 -2.494
827 1HG2 THR 109 HG23 THR 109 5.483 -1.752 -1.752
828 2HG2 THR 109 HG21 THR 109 5.281 -0.530 -0.530
829 3HG2 THR 109 HG22 THR 109 4.214 -1.953 -1.953
830 H LEU 110 HN LEU 110 8.072 -2.147 -2.147
831 HA LEU 110 HA LEU 110 8.965 -4.004 -4.004
832 1HB LEU 110 HB2 LEU 110 11.235 -2.220 -2.220
833 2HB LEU 110 HB3 LEU 110 11.220 -3.248 -3.248
834 HG LEU 110 HG LEU 110 9.302 -0.945 -0.945
835 1HD1 LEU 110 HD13 LEU 110 11.848 -0.429 -0.429
836 2HD1 LEU 110 HD11 LEU 110 11.602 -0.845 -0.845
837 3HD1 LEU 110 HD12 LEU 110 10.673 0.482 0.482
838 1HD2 LEU 110 HD23 LEU 110 9.147 -3.097 -3.097
839 2HD2 LEU 110 HD21 LEU 110 8.264 -1.555 -1.555
840 3HD2 LEU 110 HD22 LEU 110 9.800 -1.767 -1.767
841 H SER 111 HN SER 111 12.010 -3.706 -3.706
842 HA SER 111 HA SER 111 12.131 -5.146 -5.146
843 1HB SER 111 HB2 SER 111 11.144 -6.990 -6.990
844 2HB SER 111 HB3 SER 111 12.325 -7.637 -7.637
845 HG SER 111 HG SER 111 9.689 -7.362 -7.362
846 H THR 112 HN THR 112 13.104 -5.410 -5.410
847 HA THR 112 HA THR 112 15.603 -4.515 -4.515
848 HB THR 112 HB THR 112 15.404 -7.173 -7.173
849 HG1 THR 112 HG1 THR 112 17.379 -5.013 -5.013
850 1HG2 THR 112 HG21 THR 112 17.586 -6.492 -6.492
851 2HG2 THR 112 HG22 THR 112 17.834 -7.637 -7.637
852 3HG2 THR 112 HG23 THR 112 16.621 -7.985 -7.985
853 H THR 113 HN THR 113 14.408 -7.786 -7.786
854 HA THR 113 HA THR 113 15.576 -7.760 -7.760
855 HB THR 113 HB THR 113 12.948 -8.981 -8.981
856 HG1 THR 113 HG1 THR 113 14.824 -9.709 -9.709
857 1HG2 THR 113 HG21 THR 113 14.484 -9.252 -9.252
858 2HG2 THR 113 HG22 THR 113 13.920 -10.756 -10.756
859 3HG2 THR 113 HG23 THR 113 12.748 -9.498 -9.498
860 H GLN 114 HN GLN 114 12.817 -5.903 -5.903
861 HA GLN 114 HA GLN 114 11.955 -5.337 -5.337
862 1HB GLN 114 HB2 GLN 114 11.059 -4.604 -4.604
863 2HB GLN 114 HB3 GLN 114 10.556 -3.563 -3.563
864 1HG GLN 114 HG2 GLN 114 8.825 -5.075 -5.075
865 2HG GLN 114 HG3 GLN 114 9.971 -5.955 -5.955
866 1HE2 GLN 114 HE22 GLN 114 10.968 -8.207 -8.207
867 2HE2 GLN 114 HE21 GLN 114 11.675 -7.158 -7.158
868 H LYS 115 HN LYS 115 13.993 -3.890 -3.890
869 HA LYS 115 HA LYS 115 14.097 -1.320 -1.320
870 1HB LYS 115 HB2 LYS 115 15.167 -2.655 -2.655
871 2HB LYS 115 HB3 LYS 115 16.313 -1.547 -1.547
872 1HG LYS 115 HG2 LYS 115 14.982 0.323 0.323
873 2HG LYS 115 HG3 LYS 115 13.483 -0.573 -0.573
874 1HD LYS 115 HD2 LYS 115 15.387 -0.560 -0.560
875 2HD LYS 115 HD3 LYS 115 13.749 0.062 0.062
876 1HE LYS 115 HE2 LYS 115 13.095 -2.417 -2.417
877 2HE LYS 115 HE3 LYS 115 14.669 -2.829 -2.829
878 1HZ LYS 115 HZ3 LYS 115 13.874 -1.418 -1.418
879 2HZ LYS 115 HZ1 LYS 115 12.376 -1.697 -1.697
880 3HZ LYS 115 HZ2 LYS 115 13.329 -2.950 -2.950
881 H LYS 116 HN LYS 116 16.082 -4.318 -4.318
882 HA LYS 116 HA LYS 116 18.198 -3.203 -3.203
883 1HB LYS 116 HB2 LYS 116 19.007 -5.396 -5.396
884 2HB LYS 116 HB3 LYS 116 18.145 -5.364 -5.364
885 1HG LYS 116 HG2 LYS 116 17.004 -7.180 -7.180
886 2HG LYS 116 HG3 LYS 116 16.133 -6.072 -6.072
887 1HD LYS 116 HD2 LYS 116 18.799 -6.939 -6.939
888 2HD LYS 116 HD3 LYS 116 17.604 -8.215 -8.215
889 1HE LYS 116 HE2 LYS 116 16.630 -7.478 -7.478
890 2HE LYS 116 HE3 LYS 116 16.245 -5.961 -5.961
891 1HZ LYS 116 HZ1 LYS 116 18.904 -6.459 -6.459
892 2HZ LYS 116 HZ2 LYS 116 17.689 -5.868 -5.868
893 3HZ LYS 116 HZ3 LYS 116 18.220 -5.026 -5.026
894 H SER 117 HN SER 117 14.927 -4.043 -4.043
895 HA SER 117 HA SER 117 15.629 -4.261 -4.261
896 1HB SER 117 HB2 SER 117 13.638 -5.432 -5.432
897 2HB SER 117 HB3 SER 117 12.758 -4.257 -4.257
898 HG SER 117 HG SER 117 14.599 -6.188 -6.188
899 H LEU 118 HN LEU 118 14.806 -1.893 -1.893
900 HA LEU 118 HA LEU 118 13.232 -0.217 -0.217
901 1HB LEU 118 HB2 LEU 118 14.200 -0.257 -0.257
902 2HB LEU 118 HB3 LEU 118 14.277 1.343 1.343
903 HG LEU 118 HG LEU 118 11.727 -0.013 -0.013
904 1HD1 LEU 118 HD13 LEU 118 12.253 -0.990 -0.990
905 2HD1 LEU 118 HD11 LEU 118 12.408 0.654 0.654
906 3HD1 LEU 118 HD12 LEU 118 10.840 0.093 0.093
907 1HD2 LEU 118 HD23 LEU 118 12.419 2.454 2.454
908 2HD2 LEU 118 HD21 LEU 118 10.813 2.096 2.096
909 3HD2 LEU 118 HD22 LEU 118 12.142 2.598 2.598
910 H ASN 119 HN ASN 119 16.666 -0.799 -0.799
911 HA ASN 119 HA ASN 119 17.504 1.676 1.676
912 1HB ASN 119 HB2 ASN 119 19.754 0.338 0.338
913 2HB ASN 119 HB3 ASN 119 19.104 0.604 0.604
914 1HD2 ASN 119 HD22 ASN 119 18.901 -3.134 -3.134
915 2HD2 ASN 119 HD21 ASN 119 19.005 -1.678 -1.678
916 H HIS 120 HN HIS 120 16.830 -1.624 -1.624
917 HA HIS 120 HA HIS 120 18.088 -1.323 -1.323
918 1HB HIS 120 HB2 HIS 120 17.310 -3.417 -3.417
919 2HB HIS 120 HB3 HIS 120 17.194 -3.428 -3.428
920 HD1 HIS 120 HD1 HIS 120 15.152 -4.787 -4.787
921 HD2 HIS 120 HD2 HIS 120 14.489 -2.019 -2.019
922 HE1 HIS 120 HE1 HIS 120 12.673 -4.942 -4.942
923 H ARG 121 HN ARG 121 17.435 -0.382 -0.382
924 HA ARG 121 HA ARG 121 15.696 1.599 1.599
925 1HB ARG 121 HB2 ARG 121 17.104 0.012 0.012
926 2HB ARG 121 HB3 ARG 121 15.466 0.162 0.162
927 1HG ARG 121 HG2 ARG 121 17.438 2.380 2.380
928 2HG ARG 121 HG3 ARG 121 16.620 2.067 2.067
929 1HD ARG 121 HD2 ARG 121 14.529 2.430 2.430
930 2HD ARG 121 HD3 ARG 121 15.714 3.656 3.656
931 HE ARG 121 HE ARG 121 14.059 3.572 3.572
932 1HH1 ARG 121 HH22 ARG 121 17.179 4.645 4.645
933 2HH1 ARG 121 HH21 ARG 121 17.354 5.899 5.899
934 1HH2 ARG 121 HH12 ARG 121 14.290 5.226 5.226
935 2HH2 ARG 121 HH11 ARG 121 15.700 6.231 6.231
936 H TYR 122 HN TYR 122 14.768 -1.439 -1.439
937 HA TYR 122 HA TYR 122 12.290 -1.630 -1.630
938 1HB TYR 122 HB2 TYR 122 10.904 -0.968 -0.968
939 2HB TYR 122 HB3 TYR 122 12.207 0.199 0.199
940 HD1 TYR 122 HD1 TYR 122 14.096 -0.177 -0.177
941 HD2 TYR 122 HD2 TYR 122 10.489 -2.478 -2.478
942 HE1 TYR 122 HE1 TYR 122 14.578 -0.893 -0.893
943 HE2 TYR 122 HE2 TYR 122 10.982 -3.186 -3.186
944 HH TYR 122 HH TYR 122 12.981 -1.660 -1.660
945 H GLN 123 HN GLN 123 12.842 -3.773 -3.773
946 HA GLN 123 HA GLN 123 12.968 -5.919 -5.919
947 1HB GLN 123 HB2 GLN 123 10.923 -5.812 -5.812
948 2HB GLN 123 HB3 GLN 123 11.771 -5.257 -5.257
949 1HG GLN 123 HG2 GLN 123 13.052 -7.690 -7.690
950 2HG GLN 123 HG3 GLN 123 11.335 -7.990 -7.990
951 1HE2 GLN 123 HE22 GLN 123 10.565 -8.059 -8.059
952 2HE2 GLN 123 HE21 GLN 123 10.043 -8.153 -8.153
953 H MET 124 HN MET 124 15.380 -5.156 -5.156
954 HA MET 124 HA MET 124 16.801 -5.260 -5.260
955 1HB MET 124 HB2 MET 124 17.357 -5.008 -5.008
956 2HB MET 124 HB3 MET 124 18.662 -5.740 -5.740
957 1HG MET 124 HG2 MET 124 17.560 -3.386 -3.386
958 2HG MET 124 HG3 MET 124 18.121 -2.981 -2.981
959 1HE MET 124 HE3 MET 124 20.137 -3.398 -3.398
960 2HE MET 124 HE1 MET 124 21.704 -3.715 -3.715
961 3HE MET 124 HE2 MET 124 20.928 -2.122 -2.122
962 H GLY 125 HN GLY 125 15.376 -7.489 -7.489
963 1HA GLY 125 HA1 GLY 125 15.446 -9.716 -9.716
964 2HA GLY 125 HA2 GLY 125 17.186 -9.530 -9.530
965 H CYS 126 HN CYS 126 15.530 -8.527 -8.527
966 HA CYS 126 HA CYS 126 17.094 -10.186 -10.186
967 1HB CYS 126 HB2 CYS 126 16.095 -9.189 -9.189
968 2HB CYS 126 HB3 CYS 126 15.736 -8.011 -8.011
969 H GLU 127 HN GLU 127 15.338 -11.421 -11.421
970 HA GLU 127 HA GLU 127 13.311 -12.888 -12.888
971 1HB GLU 127 HB2 GLU 127 15.195 -13.898 -13.898
972 2HB GLU 127 HB3 GLU 127 15.926 -14.450 -14.450
973 1HG GLU 127 HG2 GLU 127 14.701 -16.340 -16.340
974 2HG GLU 127 HG3 GLU 127 13.643 -15.619 -15.619
Start of MODEL 6
1 H CYS 1 HN CYS 1 -12.669 -11.879 -11.879
2 HA CYS 1 HA CYS 1 -10.074 -11.570 -11.570
3 1HB CYS 1 HB2 CYS 1 -11.854 -9.420 -9.420
4 2HB CYS 1 HB3 CYS 1 -10.250 -9.327 -9.327
5 H SER 2 HN SER 2 -8.303 -11.756 -11.756
6 HA SER 2 HA SER 2 -8.216 -11.535 -11.535
7 1HB SER 2 HB2 SER 2 -8.648 -14.114 -14.114
8 2HB SER 2 HB3 SER 2 -9.897 -12.890 -12.890
9 HG SER 2 HG SER 2 -10.797 -14.619 -14.619
10 H CYS 3 HN CYS 3 -6.504 -11.539 -11.539
11 HA CYS 3 HA CYS 3 -5.054 -13.906 -13.906
12 1HB CYS 3 HB2 CYS 3 -5.093 -11.419 -11.419
13 2HB CYS 3 HB3 CYS 3 -3.532 -11.435 -11.435
14 H SER 4 HN SER 4 -2.472 -13.726 -13.726
15 HA SER 4 HA SER 4 -2.332 -12.894 -12.894
16 1HB SER 4 HB2 SER 4 -1.019 -14.846 -14.846
17 2HB SER 4 HB3 SER 4 -2.445 -15.401 -15.401
18 HG SER 4 HG SER 4 -1.250 -16.038 -16.038
19 HA PRO 5 HA PRO 5 1.007 -10.637 -10.637
20 1HB PRO 5 HB2 PRO 5 1.441 -8.950 -8.950
21 2HB PRO 5 HB3 PRO 5 0.263 -8.630 -8.630
22 1HG PRO 5 HG2 PRO 5 -0.188 -9.538 -9.538
23 2HG PRO 5 HG3 PRO 5 -1.329 -8.817 -8.817
24 1HD PRO 5 HD2 PRO 5 -1.137 -11.592 -11.592
25 2HD PRO 5 HD3 PRO 5 -2.198 -10.886 -10.886
26 H VAL 6 HN VAL 6 3.104 -11.127 -11.127
27 HA VAL 6 HA VAL 6 4.569 -11.777 -11.777
28 HB VAL 6 HB VAL 6 3.362 -13.877 -13.877
29 1HG1 VAL 6 HG12 VAL 6 4.338 -13.210 -13.210
30 2HG1 VAL 6 HG13 VAL 6 5.022 -14.779 -14.779
31 3HG1 VAL 6 HG11 VAL 6 3.258 -14.539 -14.539
32 1HG2 VAL 6 HG23 VAL 6 6.273 -13.535 -13.535
33 2HG2 VAL 6 HG21 VAL 6 5.119 -14.546 -14.546
34 3HG2 VAL 6 HG22 VAL 6 5.784 -15.120 -15.120
35 H HIS 7 HN HIS 7 6.290 -13.379 -13.379
36 HA HIS 7 HA HIS 7 8.257 -12.764 -12.764
37 1HB HIS 7 HB2 HIS 7 7.707 -11.284 -11.284
38 2HB HIS 7 HB3 HIS 7 7.306 -12.986 -12.986
39 HD1 HIS 7 HD1 HIS 7 4.979 -13.492 -13.492
40 HD2 HIS 7 HD2 HIS 7 5.305 -9.646 -9.646
41 HE1 HIS 7 HE1 HIS 7 2.660 -12.440 -12.440
42 HA PRO 8 HA PRO 8 8.890 -8.814 -8.814
43 1HB PRO 8 HB2 PRO 8 11.210 -9.476 -9.476
44 2HB PRO 8 HB3 PRO 8 9.626 -9.661 -9.661
45 1HG PRO 8 HG2 PRO 8 11.414 -11.742 -11.742
46 2HG PRO 8 HG3 PRO 8 10.055 -11.927 -11.927
47 1HD PRO 8 HD2 PRO 8 10.095 -12.517 -12.517
48 2HD PRO 8 HD3 PRO 8 8.707 -12.591 -12.591
49 H GLN 9 HN GLN 9 10.150 -10.364 -10.364
50 HA GLN 9 HA GLN 9 11.804 -8.047 -8.047
51 1HB GLN 9 HB2 GLN 9 13.420 -9.710 -9.710
52 2HB GLN 9 HB3 GLN 9 12.661 -10.954 -10.954
53 1HG GLN 9 HG2 GLN 9 14.679 -10.119 -10.119
54 2HG GLN 9 HG3 GLN 9 13.257 -9.714 -9.714
55 1HE2 GLN 9 HE22 GLN 9 14.883 -6.677 -6.677
56 2HE2 GLN 9 HE21 GLN 9 14.667 -8.282 -8.282
57 H GLN 10 HN GLN 10 10.105 -11.002 -11.002
58 HA GLN 10 HA GLN 10 10.260 -10.339 -10.339
59 1HB GLN 10 HB2 GLN 10 9.400 -12.417 -12.417
60 2HB GLN 10 HB3 GLN 10 9.177 -12.431 -12.431
61 1HG GLN 10 HG2 GLN 10 6.976 -12.761 -12.761
62 2HG GLN 10 HG3 GLN 10 6.992 -11.015 -11.015
63 1HE2 GLN 10 HE22 GLN 10 5.423 -11.788 -11.788
64 2HE2 GLN 10 HE21 GLN 10 5.115 -12.015 -12.015
65 H ALA 11 HN ALA 11 8.705 -8.718 -8.718
66 HA ALA 11 HA ALA 11 6.341 -7.974 -7.974
67 1HB ALA 11 HB1 ALA 11 7.389 -7.780 -7.780
68 2HB ALA 11 HB2 ALA 11 6.625 -6.267 -6.267
69 3HB ALA 11 HB3 ALA 11 5.704 -7.789 -7.789
70 H PHE 12 HN PHE 12 9.629 -6.768 -6.768
71 HA PHE 12 HA PHE 12 8.981 -4.215 -4.215
72 1HB PHE 12 HB2 PHE 12 11.508 -5.504 -5.504
73 2HB PHE 12 HB3 PHE 12 11.465 -3.854 -3.854
74 HD1 PHE 12 HD1 PHE 12 9.174 -5.873 -5.873
75 HD2 PHE 12 HD2 PHE 12 11.520 -2.361 -2.361
76 HE1 PHE 12 HE1 PHE 12 8.400 -5.091 -5.091
77 HE2 PHE 12 HE2 PHE 12 10.746 -1.579 -1.579
78 HZ PHE 12 HZ PHE 12 9.196 -2.952 -2.952
79 H CYS 13 HN CYS 13 9.701 -7.301 -7.301
80 HA CYS 13 HA CYS 13 11.355 -6.293 -6.293
81 1HB CYS 13 HB2 CYS 13 11.013 -8.972 -8.972
82 2HB CYS 13 HB3 CYS 13 11.413 -8.913 -8.913
83 H ASN 14 HN ASN 14 8.149 -6.962 -6.962
84 HA ASN 14 HA ASN 14 7.396 -7.749 -7.749
85 1HB ASN 14 HB2 ASN 14 6.485 -8.544 -8.544
86 2HB ASN 14 HB3 ASN 14 5.206 -7.505 -7.505
87 1HD2 ASN 14 HD22 ASN 14 6.069 -11.138 -11.138
88 2HD2 ASN 14 HD21 ASN 14 7.141 -10.362 -10.362
89 H ALA 15 HN ALA 15 6.874 -5.330 -5.330
90 HA ALA 15 HA ALA 15 4.875 -3.823 -3.823
91 1HB ALA 15 HB3 ALA 15 7.232 -3.066 -3.066
92 2HB ALA 15 HB1 ALA 15 5.875 -1.971 -1.971
93 3HB ALA 15 HB2 ALA 15 5.583 -3.493 -3.493
94 H ASP 16 HN ASP 16 5.322 -1.393 -1.393
95 HA ASP 16 HA ASP 16 7.639 -1.218 -1.218
96 1HB ASP 16 HB2 ASP 16 4.866 -1.685 -1.685
97 2HB ASP 16 HB3 ASP 16 5.779 -0.431 -0.431
98 H VAL 17 HN VAL 17 5.982 0.066 0.066
99 HA VAL 17 HA VAL 17 6.525 2.756 2.756
100 HB VAL 17 HB VAL 17 4.431 2.454 2.454
101 1HG1 VAL 17 HG13 VAL 17 3.558 0.675 0.675
102 2HG1 VAL 17 HG11 VAL 17 3.009 2.041 2.041
103 3HG1 VAL 17 HG12 VAL 17 2.381 1.838 1.838
104 1HG2 VAL 17 HG21 VAL 17 5.122 4.581 4.581
105 2HG2 VAL 17 HG22 VAL 17 3.546 4.494 4.494
106 3HG2 VAL 17 HG23 VAL 17 3.658 4.164 4.164
107 H VAL 18 HN VAL 18 7.860 2.352 2.352
108 HA VAL 18 HA VAL 18 6.369 1.944 1.944
109 HB VAL 18 HB VAL 18 9.319 2.239 2.239
110 1HG1 VAL 18 HG13 VAL 18 7.221 0.941 0.941
111 2HG1 VAL 18 HG11 VAL 18 8.618 -0.119 -0.119
112 3HG1 VAL 18 HG12 VAL 18 8.856 1.464 1.464
113 1HG2 VAL 18 HG21 VAL 18 8.007 0.515 0.515
114 2HG2 VAL 18 HG22 VAL 18 9.747 0.735 0.735
115 3HG2 VAL 18 HG23 VAL 18 8.828 -0.477 -0.477
116 H ILE 19 HN ILE 19 5.699 3.671 3.671
117 HA ILE 19 HA ILE 19 7.420 6.008 6.008
118 HB ILE 19 HB ILE 19 5.720 7.550 7.550
119 1HG1 ILE 19 HG12 ILE 19 3.915 5.189 5.189
120 2HG1 ILE 19 HG13 ILE 19 3.673 6.847 6.847
121 1HG2 ILE 19 HG21 ILE 19 7.053 6.449 6.449
122 2HG2 ILE 19 HG22 ILE 19 5.675 5.356 5.356
123 3HG2 ILE 19 HG23 ILE 19 5.487 7.108 7.108
124 1HD1 ILE 19 HD11 ILE 19 3.615 7.447 7.447
125 2HD1 ILE 19 HD12 ILE 19 3.425 5.698 5.698
126 3HD1 ILE 19 HD13 ILE 19 2.209 6.590 6.590
127 H ARG 20 HN ARG 20 7.654 6.631 6.631
128 HA ARG 20 HA ARG 20 6.105 5.321 5.321
129 1HB ARG 20 HB2 ARG 20 7.998 7.691 7.691
130 2HB ARG 20 HB3 ARG 20 7.521 6.521 6.521
131 1HG ARG 20 HG2 ARG 20 8.856 4.812 4.812
132 2HG ARG 20 HG3 ARG 20 8.820 5.493 5.493
133 1HD ARG 20 HD2 ARG 20 11.029 5.698 5.698
134 2HD ARG 20 HD3 ARG 20 10.503 7.074 7.074
135 HE ARG 20 HE ARG 20 9.245 7.540 7.540
136 1HH1 ARG 20 HH22 ARG 20 12.577 6.733 6.733
137 2HH1 ARG 20 HH21 ARG 20 13.240 7.571 7.571
138 1HH2 ARG 20 HH11 ARG 20 11.832 8.666 8.666
139 2HH2 ARG 20 HH12 ARG 20 10.119 8.646 8.646
140 H THR 21 HN THR 21 4.389 6.828 6.828
141 HA THR 21 HA THR 21 3.806 9.399 9.399
142 HB THR 21 HB THR 21 3.038 8.622 8.622
143 HG1 THR 21 HG1 THR 21 1.598 10.027 10.027
144 1HG2 THR 21 HG21 THR 21 2.729 6.144 6.144
145 2HG2 THR 21 HG22 THR 21 1.103 6.710 6.710
146 3HG2 THR 21 HG23 THR 21 1.620 6.752 6.752
147 H LYS 22 HN LYS 22 1.483 9.893 9.893
148 HA LYS 22 HA LYS 22 1.017 8.052 8.052
149 1HB LYS 22 HB2 LYS 22 0.788 9.931 9.931
150 2HB LYS 22 HB3 LYS 22 2.387 9.918 9.918
151 1HG LYS 22 HG2 LYS 22 1.766 11.683 11.683
152 2HG LYS 22 HG3 LYS 22 0.086 11.600 11.600
153 1HD LYS 22 HD2 LYS 22 2.454 12.642 12.642
154 2HD LYS 22 HD3 LYS 22 0.986 13.494 13.494
155 1HE LYS 22 HE2 LYS 22 -0.279 11.748 11.748
156 2HE LYS 22 HE3 LYS 22 1.290 11.256 11.256
157 1HZ LYS 22 HZ3 LYS 22 0.360 14.038 14.038
158 2HZ LYS 22 HZ1 LYS 22 0.144 12.988 12.988
159 3HZ LYS 22 HZ2 LYS 22 1.654 13.403 13.403
160 H ALA 23 HN ALA 23 -1.026 7.302 7.302
161 HA ALA 23 HA ALA 23 -2.952 8.757 8.757
162 1HB ALA 23 HB3 ALA 23 -2.666 6.343 6.343
163 2HB ALA 23 HB1 ALA 23 -3.035 6.034 6.034
164 3HB ALA 23 HB2 ALA 23 -4.294 6.686 6.686
165 H VAL 24 HN VAL 24 -3.847 10.474 10.474
166 HA VAL 24 HA VAL 24 -4.641 10.007 10.007
167 HB VAL 24 HB VAL 24 -4.923 12.589 12.589
168 1HG1 VAL 24 HG12 VAL 24 -2.195 11.254 11.254
169 2HG1 VAL 24 HG13 VAL 24 -2.544 12.894 12.894
170 3HG1 VAL 24 HG11 VAL 24 -3.277 11.482 11.482
171 1HG2 VAL 24 HG21 VAL 24 -4.526 12.458 12.458
172 2HG2 VAL 24 HG22 VAL 24 -3.719 13.752 13.752
173 3HG2 VAL 24 HG23 VAL 24 -2.804 12.308 12.308
174 H SER 25 HN SER 25 -5.749 10.897 10.897
175 HA SER 25 HA SER 25 -8.466 10.792 10.792
176 1HB SER 25 HB2 SER 25 -8.281 12.973 12.973
177 2HB SER 25 HB3 SER 25 -7.196 12.501 12.501
178 HG SER 25 HG SER 25 -9.013 11.426 11.426
179 H GLU 26 HN GLU 26 -10.095 10.110 10.110
180 HA GLU 26 HA GLU 26 -8.883 8.327 8.327
181 1HB GLU 26 HB2 GLU 26 -10.551 7.367 7.367
182 2HB GLU 26 HB3 GLU 26 -10.573 6.481 6.481
183 1HG GLU 26 HG2 GLU 26 -8.689 5.433 5.433
184 2HG GLU 26 HG3 GLU 26 -7.839 6.935 6.935
185 H LYS 27 HN LYS 27 -11.028 7.028 7.028
186 HA LYS 27 HA LYS 27 -13.252 8.869 8.869
187 1HB LYS 27 HB2 LYS 27 -11.612 9.760 9.760
188 2HB LYS 27 HB3 LYS 27 -11.581 8.209 8.209
189 1HG LYS 27 HG2 LYS 27 -13.694 8.482 8.482
190 2HG LYS 27 HG3 LYS 27 -14.298 9.390 9.390
191 1HD LYS 27 HD2 LYS 27 -14.015 10.749 10.749
192 2HD LYS 27 HD3 LYS 27 -13.212 11.419 11.419
193 1HE LYS 27 HE2 LYS 27 -11.047 10.497 10.497
194 2HE LYS 27 HE3 LYS 27 -11.810 9.646 9.646
195 1HZ LYS 27 HZ2 LYS 27 -12.551 12.295 12.295
196 2HZ LYS 27 HZ3 LYS 27 -10.941 12.286 12.286
197 3HZ LYS 27 HZ1 LYS 27 -11.560 11.462 11.462
198 H GLU 28 HN GLU 28 -14.920 7.525 7.525
199 HA GLU 28 HA GLU 28 -14.681 4.763 4.763
200 1HB GLU 28 HB2 GLU 28 -15.937 5.437 5.437
201 2HB GLU 28 HB3 GLU 28 -16.948 6.522 6.522
202 1HG GLU 28 HG2 GLU 28 -17.490 4.220 4.220
203 2HG GLU 28 HG3 GLU 28 -17.064 3.525 3.525
204 H VAL 29 HN VAL 29 -14.417 4.471 4.471
205 HA VAL 29 HA VAL 29 -16.624 5.452 5.452
206 HB VAL 29 HB VAL 29 -15.114 5.013 5.013
207 1HG1 VAL 29 HG11 VAL 29 -14.970 7.085 7.085
208 2HG1 VAL 29 HG12 VAL 29 -13.271 6.597 6.597
209 3HG1 VAL 29 HG13 VAL 29 -14.237 7.065 7.065
210 1HG2 VAL 29 HG22 VAL 29 -13.683 3.469 3.469
211 2HG2 VAL 29 HG23 VAL 29 -13.396 3.607 3.607
212 3HG2 VAL 29 HG21 VAL 29 -12.605 4.738 4.738
213 H ASP 30 HN ASP 30 -18.157 4.050 4.050
214 HA ASP 30 HA ASP 30 -18.105 1.418 1.418
215 1HB ASP 30 HB2 ASP 30 -19.831 3.095 3.095
216 2HB ASP 30 HB3 ASP 30 -19.991 1.361 1.361
217 H SER 31 HN SER 31 -18.269 -0.558 -0.558
218 HA SER 31 HA SER 31 -17.033 -0.147 -0.147
219 1HB SER 31 HB2 SER 31 -15.036 -0.550 -0.550
220 2HB SER 31 HB3 SER 31 -15.797 -1.711 -1.711
221 HG SER 31 HG SER 31 -15.783 -2.357 -2.357
222 H GLY 32 HN GLY 32 -19.674 -1.036 -1.036
223 1HA GLY 32 HA1 GLY 32 -21.323 -2.430 -2.430
224 2HA GLY 32 HA2 GLY 32 -20.207 -3.216 -3.216
225 H ASN 33 HN ASN 33 -21.831 -4.963 -4.963
226 HA ASN 33 HA ASN 33 -20.812 -5.796 -5.796
227 1HB ASN 33 HB2 ASN 33 -22.611 -7.467 -7.467
228 2HB ASN 33 HB3 ASN 33 -22.566 -7.435 -7.435
229 1HD2 ASN 33 HD22 ASN 33 -25.209 -5.215 -5.215
230 2HD2 ASN 33 HD21 ASN 33 -24.342 -6.591 -6.591
231 H ASP 34 HN ASP 34 -20.095 -8.207 -8.207
232 HA ASP 34 HA ASP 34 -18.216 -8.742 -8.742
233 1HB ASP 34 HB2 ASP 34 -17.852 -8.777 -8.777
234 2HB ASP 34 HB3 ASP 34 -18.475 -10.409 -10.409
235 H ILE 35 HN ILE 35 -17.965 -11.618 -11.618
236 HA ILE 35 HA ILE 35 -20.221 -12.537 -12.537
237 HB ILE 35 HB ILE 35 -17.785 -13.978 -13.978
238 1HG1 ILE 35 HG12 ILE 35 -17.110 -13.824 -13.824
239 2HG1 ILE 35 HG13 ILE 35 -18.359 -12.608 -12.608
240 1HG2 ILE 35 HG23 ILE 35 -20.063 -14.840 -14.840
241 2HG2 ILE 35 HG21 ILE 35 -18.445 -15.562 -15.562
242 3HG2 ILE 35 HG22 ILE 35 -19.310 -15.683 -15.683
243 1HD1 ILE 35 HD13 ILE 35 -16.385 -12.321 -12.321
244 2HD1 ILE 35 HD11 ILE 35 -15.874 -11.899 -11.899
245 3HD1 ILE 35 HD12 ILE 35 -17.254 -11.058 -11.058
246 H TYR 36 HN TYR 36 -19.871 -11.787 -11.787
247 HA TYR 36 HA TYR 36 -21.410 -14.122 -14.122
248 1HB TYR 36 HB2 TYR 36 -19.110 -13.027 -13.027
249 2HB TYR 36 HB3 TYR 36 -20.237 -11.924 -11.924
250 HD1 TYR 36 HD1 TYR 36 -20.007 -15.643 -15.643
251 HD2 TYR 36 HD2 TYR 36 -20.754 -12.430 -12.430
252 HE1 TYR 36 HE1 TYR 36 -20.382 -17.314 -17.314
253 HE2 TYR 36 HE2 TYR 36 -21.127 -14.113 -14.113
254 HH TYR 36 HH TYR 36 -21.338 -16.207 -16.207
255 H GLY 37 HN GLY 37 -21.866 -11.053 -11.053
256 1HA GLY 37 HA1 GLY 37 -23.879 -9.954 -9.954
257 2HA GLY 37 HA2 GLY 37 -24.487 -10.862 -10.862
258 H ASN 38 HN ASN 38 -21.523 -10.030 -10.030
259 HA ASN 38 HA ASN 38 -22.606 -7.913 -7.913
260 1HB ASN 38 HB2 ASN 38 -20.166 -7.890 -7.890
261 2HB ASN 38 HB3 ASN 38 -21.099 -9.352 -9.352
262 1HD2 ASN 38 HD22 ASN 38 -17.747 -10.342 -10.342
263 2HD2 ASN 38 HD21 ASN 38 -18.438 -9.509 -9.509
264 HA PRO 39 HA PRO 39 -20.867 -4.645 -4.645
265 1HB PRO 39 HB2 PRO 39 -20.495 -2.696 -2.696
266 2HB PRO 39 HB3 PRO 39 -22.053 -3.048 -3.048
267 1HG PRO 39 HG2 PRO 39 -21.062 -3.730 -3.730
268 2HG PRO 39 HG3 PRO 39 -22.713 -3.686 -3.686
269 1HD PRO 39 HD2 PRO 39 -21.112 -6.024 -6.024
270 2HD PRO 39 HD3 PRO 39 -22.720 -5.973 -5.973
271 H ILE 40 HN ILE 40 -18.997 -4.225 -4.225
272 HA ILE 40 HA ILE 40 -16.672 -5.305 -5.305
273 HB ILE 40 HB ILE 40 -17.174 -3.513 -3.513
274 1HG1 ILE 40 HG12 ILE 40 -16.432 -6.448 -6.448
275 2HG1 ILE 40 HG13 ILE 40 -18.066 -5.849 -5.849
276 1HG2 ILE 40 HG22 ILE 40 -14.889 -3.160 -3.160
277 2HG2 ILE 40 HG23 ILE 40 -14.560 -4.883 -4.883
278 3HG2 ILE 40 HG21 ILE 40 -14.908 -3.791 -3.791
279 1HD1 ILE 40 HD12 ILE 40 -15.963 -4.808 -4.808
280 2HD1 ILE 40 HD13 ILE 40 -16.552 -6.473 -6.473
281 3HD1 ILE 40 HD11 ILE 40 -17.694 -5.109 -5.109
282 H LYS 41 HN LYS 41 -16.938 -1.871 -1.871
283 HA LYS 41 HA LYS 41 -16.404 0.028 0.028
284 1HB LYS 41 HB2 LYS 41 -17.807 -0.687 -0.687
285 2HB LYS 41 HB3 LYS 41 -16.468 -1.573 -1.573
286 1HG LYS 41 HG2 LYS 41 -16.508 0.522 0.522
287 2HG LYS 41 HG3 LYS 41 -15.162 0.641 0.641
288 1HD LYS 41 HD2 LYS 41 -16.335 2.702 2.702
289 2HD LYS 41 HD3 LYS 41 -16.796 1.758 1.758
290 1HE LYS 41 HE2 LYS 41 -18.837 0.968 0.968
291 2HE LYS 41 HE3 LYS 41 -18.426 2.271 2.271
292 1HZ LYS 41 HZ3 LYS 41 -18.459 3.122 3.122
293 2HZ LYS 41 HZ1 LYS 41 -19.900 2.502 2.502
294 3HZ LYS 41 HZ2 LYS 41 -19.243 3.742 3.742
295 H ARG 42 HN ARG 42 -14.464 0.990 0.990
296 HA ARG 42 HA ARG 42 -12.157 -0.491 -0.491
297 1HB ARG 42 HB2 ARG 42 -11.189 0.902 0.902
298 2HB ARG 42 HB3 ARG 42 -11.572 -0.808 -0.808
299 1HG ARG 42 HG2 ARG 42 -13.982 -0.182 -0.182
300 2HG ARG 42 HG3 ARG 42 -13.424 1.462 1.462
301 1HD ARG 42 HD2 ARG 42 -11.594 0.300 0.300
302 2HD ARG 42 HD3 ARG 42 -12.747 -1.019 -1.019
303 HE ARG 42 HE ARG 42 -14.183 0.293 0.293
304 1HH1 ARG 42 HH22 ARG 42 -11.725 2.349 2.349
305 2HH1 ARG 42 HH21 ARG 42 -12.167 3.747 3.747
306 1HH2 ARG 42 HH12 ARG 42 -14.768 2.137 2.137
307 2HH2 ARG 42 HH11 ARG 42 -13.910 3.626 3.626
308 H ILE 43 HN ILE 43 -12.751 1.168 1.168
309 HA ILE 43 HA ILE 43 -12.723 3.825 3.825
310 HB ILE 43 HB ILE 43 -11.996 1.826 1.826
311 1HG1 ILE 43 HG12 ILE 43 -13.016 3.668 3.668
312 2HG1 ILE 43 HG13 ILE 43 -13.343 4.526 4.526
313 1HG2 ILE 43 HG23 ILE 43 -9.798 2.956 2.956
314 2HG2 ILE 43 HG21 ILE 43 -10.599 4.499 4.499
315 3HG2 ILE 43 HG22 ILE 43 -10.624 3.168 3.168
316 1HD1 ILE 43 HD13 ILE 43 -14.148 1.768 1.768
317 2HD1 ILE 43 HD11 ILE 43 -14.856 2.397 2.397
318 3HD1 ILE 43 HD12 ILE 43 -15.159 3.233 3.233
319 H GLN 44 HN GLN 44 -11.250 5.549 5.549
320 HA GLN 44 HA GLN 44 -8.908 4.817 4.817
321 1HB GLN 44 HB2 GLN 44 -10.213 7.489 7.489
322 2HB GLN 44 HB3 GLN 44 -8.710 7.366 7.366
323 1HG GLN 44 HG2 GLN 44 -11.465 6.389 6.389
324 2HG GLN 44 HG3 GLN 44 -10.394 7.468 7.468
325 1HE2 GLN 44 HE22 GLN 44 -9.945 3.365 3.365
326 2HE2 GLN 44 HE21 GLN 44 -10.911 4.158 4.158
327 H TYR 45 HN TYR 45 -6.974 6.630 6.630
328 HA TYR 45 HA TYR 45 -6.576 6.571 6.571
329 1HB TYR 45 HB2 TYR 45 -5.087 5.265 5.265
330 2HB TYR 45 HB3 TYR 45 -4.068 6.054 6.054
331 HD1 TYR 45 HD2 TYR 45 -5.905 5.457 5.457
332 HD2 TYR 45 HD1 TYR 45 -4.390 3.016 3.016
333 HE1 TYR 45 HE2 TYR 45 -6.064 3.406 3.406
334 HE2 TYR 45 HE1 TYR 45 -4.554 0.973 0.973
335 HH TYR 45 HH TYR 45 -4.600 0.969 0.969
336 H GLU 46 HN GLU 46 -7.335 8.900 8.900
337 HA GLU 46 HA GLU 46 -5.625 10.485 10.485
338 1HB GLU 46 HB2 GLU 46 -8.077 10.857 10.857
339 2HB GLU 46 HB3 GLU 46 -7.195 11.649 11.649
340 1HG GLU 46 HG2 GLU 46 -6.202 13.246 13.246
341 2HG GLU 46 HG3 GLU 46 -6.696 12.327 12.327
342 H ILE 47 HN ILE 47 -3.497 9.646 9.646
343 HA ILE 47 HA ILE 47 -2.737 10.216 10.216
344 HB ILE 47 HB ILE 47 -0.483 9.660 9.660
345 1HG1 ILE 47 HG12 ILE 47 -1.810 9.868 9.868
346 2HG1 ILE 47 HG13 ILE 47 -0.266 10.503 10.503
347 1HG2 ILE 47 HG21 ILE 47 -2.757 7.999 7.999
348 2HG2 ILE 47 HG22 ILE 47 -1.814 7.447 7.447
349 3HG2 ILE 47 HG23 ILE 47 -1.048 7.543 7.543
350 1HD1 ILE 47 HD11 ILE 47 -0.010 7.719 7.719
351 2HD1 ILE 47 HD12 ILE 47 -0.884 7.896 7.896
352 3HD1 ILE 47 HD13 ILE 47 0.695 8.686 8.686
353 H LYS 48 HN LYS 48 -0.255 11.501 11.501
354 HA LYS 48 HA LYS 48 -0.969 14.117 14.117
355 1HB LYS 48 HB2 LYS 48 -1.265 13.735 13.735
356 2HB LYS 48 HB3 LYS 48 0.473 13.954 13.954
357 1HG LYS 48 HG2 LYS 48 0.322 16.156 16.156
358 2HG LYS 48 HG3 LYS 48 -1.339 15.913 15.913
359 1HD LYS 48 HD2 LYS 48 -0.814 17.317 17.317
360 2HD LYS 48 HD3 LYS 48 -2.201 16.246 16.246
361 1HE LYS 48 HE2 LYS 48 -0.994 14.497 14.497
362 2HE LYS 48 HE3 LYS 48 0.530 15.345 15.345
363 1HZ LYS 48 HZ1 LYS 48 -1.634 16.756 16.756
364 2HZ LYS 48 HZ2 LYS 48 -0.915 15.549 15.549
365 3HZ LYS 48 HZ3 LYS 48 -0.028 16.811 16.811
366 H GLN 49 HN GLN 49 0.917 11.522 11.522
367 HA GLN 49 HA GLN 49 2.948 11.110 11.110
368 1HB GLN 49 HB2 GLN 49 2.597 12.110 12.110
369 2HB GLN 49 HB3 GLN 49 2.181 13.661 13.661
370 1HG GLN 49 HG2 GLN 49 4.371 14.399 14.399
371 2HG GLN 49 HG3 GLN 49 5.017 12.813 12.813
372 1HE2 GLN 49 HE22 GLN 49 5.085 11.637 11.637
373 2HE2 GLN 49 HE21 GLN 49 4.729 11.146 11.146
374 H ILE 50 HN ILE 50 4.668 10.894 10.894
375 HA ILE 50 HA ILE 50 5.749 13.370 13.370
376 HB ILE 50 HB ILE 50 5.512 12.602 12.602
377 1HG1 ILE 50 HG12 ILE 50 6.756 10.046 10.046
378 2HG1 ILE 50 HG13 ILE 50 7.515 11.320 11.320
379 1HG2 ILE 50 HG22 ILE 50 3.432 11.619 11.619
380 2HG2 ILE 50 HG23 ILE 50 4.153 10.072 10.072
381 3HG2 ILE 50 HG21 ILE 50 3.697 11.283 11.283
382 1HD1 ILE 50 HD13 ILE 50 5.197 10.410 10.410
383 2HD1 ILE 50 HD11 ILE 50 6.157 8.992 8.992
384 3HD1 ILE 50 HD12 ILE 50 6.912 10.295 10.295
385 H LYS 51 HN LYS 51 6.232 10.272 10.272
386 HA LYS 51 HA LYS 51 8.893 11.089 11.089
387 1HB LYS 51 HB2 LYS 51 8.605 9.498 9.498
388 2HB LYS 51 HB3 LYS 51 9.099 8.387 8.387
389 1HG LYS 51 HG2 LYS 51 11.143 9.476 9.476
390 2HG LYS 51 HG3 LYS 51 10.536 11.032 11.032
391 1HD LYS 51 HD2 LYS 51 10.294 9.481 9.481
392 2HD LYS 51 HD3 LYS 51 11.758 8.846 8.846
393 1HE LYS 51 HE2 LYS 51 12.572 11.269 11.269
394 2HE LYS 51 HE3 LYS 51 11.185 11.759 11.759
395 1HZ LYS 51 HZ1 LYS 51 13.174 9.796 9.796
396 2HZ LYS 51 HZ2 LYS 51 13.201 11.378 11.378
397 3HZ LYS 51 HZ3 LYS 51 11.963 10.434 10.434
398 H MET 52 HN MET 52 9.880 9.330 9.330
399 HA MET 52 HA MET 52 7.812 7.759 7.759
400 1HB MET 52 HB2 MET 52 8.469 10.320 10.320
401 2HB MET 52 HB3 MET 52 9.459 9.267 9.267
402 1HG MET 52 HG2 MET 52 7.496 7.980 7.980
403 2HG MET 52 HG3 MET 52 6.466 8.825 8.825
404 1HE MET 52 HE3 MET 52 9.316 9.855 9.855
405 2HE MET 52 HE1 MET 52 8.719 11.436 11.436
406 3HE MET 52 HE2 MET 52 9.132 11.197 11.197
407 H PHE 53 HN PHE 53 9.383 6.230 6.230
408 HA PHE 53 HA PHE 53 11.977 5.861 5.861
409 1HB PHE 53 HB2 PHE 53 9.541 4.153 4.153
410 2HB PHE 53 HB3 PHE 53 10.910 3.276 3.276
411 HD1 PHE 53 HD2 PHE 53 13.177 4.568 4.568
412 HD2 PHE 53 HD1 PHE 53 9.363 3.459 3.459
413 HE1 PHE 53 HE2 PHE 53 14.143 4.357 4.357
414 HE2 PHE 53 HE1 PHE 53 10.329 3.247 3.247
415 HZ PHE 53 HZ PHE 53 12.707 3.699 3.699
416 H LYS 54 HN LYS 54 9.668 3.829 3.829
417 HA LYS 54 HA LYS 54 11.281 4.437 4.437
418 1HB LYS 54 HB2 LYS 54 11.651 2.127 2.127
419 2HB LYS 54 HB3 LYS 54 10.254 1.657 1.657
420 1HG LYS 54 HG2 LYS 54 12.245 1.126 1.126
421 2HG LYS 54 HG3 LYS 54 11.433 2.463 2.463
422 1HD LYS 54 HD2 LYS 54 13.309 3.462 3.462
423 2HD LYS 54 HD3 LYS 54 14.128 2.381 2.381
424 1HE LYS 54 HE2 LYS 54 12.323 4.160 4.160
425 2HE LYS 54 HE3 LYS 54 13.414 5.094 5.094
426 1HZ LYS 54 HZ2 LYS 54 14.779 2.991 2.991
427 2HZ LYS 54 HZ3 LYS 54 14.006 3.918 3.918
428 3HZ LYS 54 HZ1 LYS 54 15.071 4.596 4.596
429 H GLY 55 HN GLY 55 9.335 6.025 6.025
430 1HA GLY 55 HA1 GLY 55 7.026 4.654 4.654
431 2HA GLY 55 HA2 GLY 55 6.902 6.095 6.095
432 HA PRO 56 HA PRO 56 7.249 7.594 7.594
433 1HB PRO 56 HB2 PRO 56 5.181 9.377 9.377
434 2HB PRO 56 HB3 PRO 56 4.999 7.729 7.729
435 1HG PRO 56 HG2 PRO 56 4.147 8.904 8.904
436 2HG PRO 56 HG3 PRO 56 3.616 7.416 7.416
437 1HD PRO 56 HD2 PRO 56 5.446 7.666 7.666
438 2HD PRO 56 HD3 PRO 56 5.003 6.189 6.189
439 H GLU 57 HN GLU 57 7.065 10.131 10.131
440 HA GLU 57 HA GLU 57 9.091 11.266 11.266
441 1HB GLU 57 HB2 GLU 57 8.126 12.655 12.655
442 2HB GLU 57 HB3 GLU 57 9.752 12.528 12.528
443 1HG GLU 57 HG2 GLU 57 9.611 9.996 9.996
444 2HG GLU 57 HG3 GLU 57 8.165 10.382 10.382
445 H LYS 58 HN LYS 58 5.719 11.786 11.786
446 HA LYS 58 HA LYS 58 5.582 14.387 14.387
447 1HB LYS 58 HB2 LYS 58 4.265 13.337 13.337
448 2HB LYS 58 HB3 LYS 58 3.163 12.808 12.808
449 1HG LYS 58 HG2 LYS 58 2.245 14.881 14.881
450 2HG LYS 58 HG3 LYS 58 3.727 15.488 15.488
451 1HD LYS 58 HD2 LYS 58 3.250 15.175 15.175
452 2HD LYS 58 HD3 LYS 58 3.085 16.682 16.682
453 1HE LYS 58 HE2 LYS 58 5.624 15.805 15.805
454 2HE LYS 58 HE3 LYS 58 5.540 15.286 15.286
455 1HZ LYS 58 HZ1 LYS 58 4.494 17.839 17.839
456 2HZ LYS 58 HZ2 LYS 58 5.889 17.861 17.861
457 3HZ LYS 58 HZ3 LYS 58 5.887 17.364 17.364
458 H ASP 59 HN ASP 59 3.406 11.561 11.561
459 HA ASP 59 HA ASP 59 4.034 10.753 10.753
460 1HB ASP 59 HB2 ASP 59 4.216 12.880 12.880
461 2HB ASP 59 HB3 ASP 59 2.796 13.510 13.510
462 H ILE 60 HN ILE 60 1.937 10.109 10.109
463 HA ILE 60 HA ILE 60 -0.194 9.592 9.592
464 HB ILE 60 HB ILE 60 0.056 8.186 8.186
465 1HG1 ILE 60 HG12 ILE 60 2.341 8.280 8.280
466 2HG1 ILE 60 HG13 ILE 60 1.708 6.692 6.692
467 1HG2 ILE 60 HG23 ILE 60 -1.889 7.898 7.898
468 2HG2 ILE 60 HG21 ILE 60 -0.745 7.133 7.133
469 3HG2 ILE 60 HG22 ILE 60 -1.036 6.407 6.407
470 1HD1 ILE 60 HD12 ILE 60 1.303 7.962 7.962
471 2HD1 ILE 60 HD13 ILE 60 2.723 6.964 6.964
472 3HD1 ILE 60 HD11 ILE 60 1.092 6.254 6.254
473 H GLU 61 HN GLU 61 -0.025 9.940 9.940
474 HA GLU 61 HA GLU 61 -1.119 11.236 11.236
475 1HB GLU 61 HB2 GLU 61 -1.230 12.796 12.796
476 2HB GLU 61 HB3 GLU 61 -2.729 12.995 12.995
477 1HG GLU 61 HG2 GLU 61 -1.709 14.079 14.079
478 2HG GLU 61 HG3 GLU 61 -0.261 13.096 13.096
479 H PHE 62 HN PHE 62 -2.488 9.272 9.272
480 HA PHE 62 HA PHE 62 -4.875 8.957 8.957
481 1HB PHE 62 HB2 PHE 62 -4.665 10.199 10.199
482 2HB PHE 62 HB3 PHE 62 -5.763 8.833 8.833
483 HD1 PHE 62 HD1 PHE 62 -7.474 8.848 8.848
484 HD2 PHE 62 HD2 PHE 62 -5.545 12.276 12.276
485 HE1 PHE 62 HE1 PHE 62 -9.285 10.307 10.307
486 HE2 PHE 62 HE2 PHE 62 -7.356 13.734 13.734
487 HZ PHE 62 HZ PHE 62 -9.204 12.733 12.733
488 H ILE 63 HN ILE 63 -4.366 6.850 6.850
489 HA ILE 63 HA ILE 63 -3.708 5.031 5.031
490 HB ILE 63 HB ILE 63 -3.488 4.308 4.308
491 1HG1 ILE 63 HG12 ILE 63 -2.375 6.654 6.654
492 2HG1 ILE 63 HG13 ILE 63 -1.719 5.610 5.610
493 1HG2 ILE 63 HG23 ILE 63 -2.249 3.459 3.459
494 2HG2 ILE 63 HG21 ILE 63 -1.388 3.180 3.180
495 3HG2 ILE 63 HG22 ILE 63 -3.004 2.478 2.478
496 1HD1 ILE 63 HD12 ILE 63 -0.960 5.238 5.238
497 2HD1 ILE 63 HD13 ILE 63 -0.102 6.391 6.391
498 3HD1 ILE 63 HD11 ILE 63 -0.102 4.655 4.655
499 H TYR 64 HN TYR 64 -4.635 2.704 2.704
500 HA TYR 64 HA TYR 64 -7.441 3.022 3.022
501 1HB TYR 64 HB2 TYR 64 -7.642 2.647 2.647
502 2HB TYR 64 HB3 TYR 64 -6.014 2.010 2.010
503 HD1 TYR 64 HD2 TYR 64 -5.682 -0.397 -0.397
504 HD2 TYR 64 HD1 TYR 64 -9.426 1.193 1.193
505 HE1 TYR 64 HE2 TYR 64 -6.625 -2.751 -2.751
506 HE2 TYR 64 HE1 TYR 64 -10.356 -1.166 -1.166
507 HH TYR 64 HH TYR 64 -8.668 -3.751 -3.751
508 H THR 65 HN THR 65 -8.465 1.138 1.138
509 HA THR 65 HA THR 65 -7.025 -1.257 -1.257
510 HB THR 65 HB THR 65 -5.721 0.212 0.212
511 HG1 THR 65 HG1 THR 65 -6.502 -1.054 -1.054
512 1HG2 THR 65 HG22 THR 65 -8.508 0.926 0.926
513 2HG2 THR 65 HG23 THR 65 -7.199 0.831 0.831
514 3HG2 THR 65 HG21 THR 65 -7.077 1.972 1.972
515 H ALA 66 HN ALA 66 -8.307 -1.945 -1.945
516 HA ALA 66 HA ALA 66 -11.075 -2.000 -2.000
517 1HB ALA 66 HB1 ALA 66 -9.214 -4.033 -4.033
518 2HB ALA 66 HB2 ALA 66 -10.765 -4.041 -4.041
519 3HB ALA 66 HB3 ALA 66 -10.740 -4.229 -4.229
520 HA PRO 67 HA PRO 67 -12.244 0.014 0.014
521 1HB PRO 67 HB2 PRO 67 -14.844 -0.785 -0.785
522 2HB PRO 67 HB3 PRO 67 -14.338 0.480 0.480
523 1HG PRO 67 HG2 PRO 67 -15.129 -2.304 -2.304
524 2HG PRO 67 HG3 PRO 67 -15.035 -0.928 -0.928
525 1HD PRO 67 HD2 PRO 67 -13.153 -3.082 -3.082
526 2HD PRO 67 HD3 PRO 67 -13.002 -1.649 -1.649
527 H SER 68 HN SER 68 -14.078 -0.711 -0.711
528 HA SER 68 HA SER 68 -14.073 -1.721 -1.721
529 1HB SER 68 HB2 SER 68 -13.581 -3.940 -3.940
530 2HB SER 68 HB3 SER 68 -13.229 -4.321 -4.321
531 HG SER 68 HG SER 68 -15.395 -3.665 -3.665
532 H SER 69 HN SER 69 -12.463 -3.602 -3.602
533 HA SER 69 HA SER 69 -10.183 -2.034 -2.034
534 1HB SER 69 HB2 SER 69 -11.467 -3.476 -3.476
535 2HB SER 69 HB3 SER 69 -10.711 -4.881 -4.881
536 HG SER 69 HG SER 69 -9.661 -3.044 -3.044
537 H ALA 70 HN ALA 70 -9.818 -2.401 -2.401
538 HA ALA 70 HA ALA 70 -8.472 -3.170 -3.170
539 1HB ALA 70 HB2 ALA 70 -6.945 -2.928 -2.928
540 2HB ALA 70 HB3 ALA 70 -6.564 -4.576 -4.576
541 3HB ALA 70 HB1 ALA 70 -6.310 -3.186 -3.186
542 H VAL 71 HN VAL 71 -9.611 -4.682 -4.682
543 HA VAL 71 HA VAL 71 -9.569 -7.418 -7.418
544 HB VAL 71 HB VAL 71 -11.683 -7.701 -7.701
545 1HG1 VAL 71 HG11 VAL 71 -11.453 -5.359 -5.359
546 2HG1 VAL 71 HG12 VAL 71 -12.005 -4.741 -4.741
547 3HG1 VAL 71 HG13 VAL 71 -13.013 -5.895 -5.895
548 1HG2 VAL 71 HG22 VAL 71 -10.989 -5.998 -5.998
549 2HG2 VAL 71 HG23 VAL 71 -11.339 -7.743 -7.743
550 3HG2 VAL 71 HG21 VAL 71 -12.646 -6.563 -6.563
551 H CYS 72 HN CYS 72 -8.843 -5.237 -5.237
552 HA CYS 72 HA CYS 72 -7.498 -7.504 -7.504
553 1HB CYS 72 HB2 CYS 72 -8.774 -5.259 -5.259
554 2HB CYS 72 HB3 CYS 72 -8.104 -6.759 -6.759
555 H GLY 73 HN GLY 73 -7.058 -4.876 -4.876
556 1HA GLY 73 HA1 GLY 73 -4.523 -4.190 -4.190
557 2HA GLY 73 HA2 GLY 73 -5.660 -2.893 -2.893
558 H VAL 74 HN VAL 74 -4.233 -1.870 -1.870
559 HA VAL 74 HA VAL 74 -3.995 -3.367 -3.367
560 HB VAL 74 HB VAL 74 -2.167 -1.268 -1.268
561 1HG1 VAL 74 HG12 VAL 74 -2.173 -2.669 -2.669
562 2HG1 VAL 74 HG13 VAL 74 -0.698 -1.958 -1.958
563 3HG1 VAL 74 HG11 VAL 74 -2.104 -0.924 -0.924
564 1HG2 VAL 74 HG21 VAL 74 -2.218 -3.779 -3.779
565 2HG2 VAL 74 HG22 VAL 74 -0.677 -2.931 -2.931
566 3HG2 VAL 74 HG23 VAL 74 -1.300 -4.061 -4.061
567 H SER 75 HN SER 75 -5.927 -1.236 -1.236
568 HA SER 75 HA SER 75 -6.842 0.740 0.740
569 1HB SER 75 HB2 SER 75 -7.865 -1.428 -1.428
570 2HB SER 75 HB3 SER 75 -7.561 -0.351 -0.351
571 HG SER 75 HG SER 75 -9.724 -0.164 -0.164
572 H LEU 76 HN LEU 76 -5.053 2.224 2.224
573 HA LEU 76 HA LEU 76 -4.162 2.617 2.617
574 1HB LEU 76 HB2 LEU 76 -2.769 3.943 3.943
575 2HB LEU 76 HB3 LEU 76 -2.135 3.276 3.276
576 HG LEU 76 HG LEU 76 -2.980 1.008 1.008
577 1HD1 LEU 76 HD13 LEU 76 -3.235 2.791 2.791
578 2HD1 LEU 76 HD11 LEU 76 -1.511 2.393 2.393
579 3HD1 LEU 76 HD12 LEU 76 -2.736 1.103 1.103
580 1HD2 LEU 76 HD23 LEU 76 -0.587 2.129 2.129
581 2HD2 LEU 76 HD21 LEU 76 -0.890 0.441 0.441
582 3HD2 LEU 76 HD22 LEU 76 -0.245 1.596 1.596
583 H ASP 77 HN ASP 77 -4.633 4.497 4.497
584 HA ASP 77 HA ASP 77 -6.024 6.494 6.494
585 1HB ASP 77 HB2 ASP 77 -7.538 6.881 6.881
586 2HB ASP 77 HB3 ASP 77 -7.356 5.139 5.139
587 H VAL 78 HN VAL 78 -3.152 5.787 5.787
588 HA VAL 78 HA VAL 78 -1.433 6.987 6.987
589 HB VAL 78 HB VAL 78 -3.225 9.129 9.129
590 1HG1 VAL 78 HG12 VAL 78 -0.855 9.563 9.563
591 2HG1 VAL 78 HG13 VAL 78 -1.204 10.713 10.713
592 3HG1 VAL 78 HG11 VAL 78 -2.417 10.414 10.414
593 1HG2 VAL 78 HG23 VAL 78 -1.655 7.606 7.606
594 2HG2 VAL 78 HG21 VAL 78 -1.593 9.358 9.358
595 3HG2 VAL 78 HG22 VAL 78 -0.334 8.583 8.583
596 H GLY 79 HN GLY 79 -4.471 8.647 8.647
597 1HA GLY 79 HA1 GLY 79 -3.530 9.474 9.474
598 2HA GLY 79 HA2 GLY 79 -5.202 9.146 9.146
599 H GLY 80 HN GLY 80 -3.922 6.255 6.255
600 1HA GLY 80 HA1 GLY 80 -4.128 5.236 5.236
601 2HA GLY 80 HA2 GLY 80 -4.780 4.418 4.418
602 H LYS 81 HN LYS 81 -2.238 5.513 5.513
603 HA LYS 81 HA LYS 81 -0.394 3.494 3.494
604 1HB LYS 81 HB2 LYS 81 0.011 3.833 3.833
605 2HB LYS 81 HB3 LYS 81 -0.444 2.389 2.389
606 1HG LYS 81 HG2 LYS 81 -2.477 4.535 4.535
607 2HG LYS 81 HG3 LYS 81 -2.085 3.210 3.210
608 1HD LYS 81 HD2 LYS 81 -3.100 1.609 1.609
609 2HD LYS 81 HD3 LYS 81 -2.747 2.474 2.474
610 1HE LYS 81 HE2 LYS 81 -4.455 4.268 4.268
611 2HE LYS 81 HE3 LYS 81 -4.987 2.973 2.973
612 1HZ LYS 81 HZ1 LYS 81 -4.709 2.427 2.427
613 2HZ LYS 81 HZ2 LYS 81 -6.013 3.264 3.264
614 3HZ LYS 81 HZ3 LYS 81 -5.732 1.761 1.761
615 H LYS 82 HN LYS 82 0.057 5.729 5.729
616 HA LYS 82 HA LYS 82 1.093 7.922 7.922
617 1HB LYS 82 HB2 LYS 82 3.589 7.416 7.416
618 2HB LYS 82 HB3 LYS 82 2.559 6.913 6.913
619 1HG LYS 82 HG2 LYS 82 2.493 4.707 4.707
620 2HG LYS 82 HG3 LYS 82 4.148 5.267 5.267
621 1HD LYS 82 HD2 LYS 82 4.635 4.351 4.351
622 2HD LYS 82 HD3 LYS 82 3.436 5.369 5.369
623 1HE LYS 82 HE2 LYS 82 1.850 3.693 3.693
624 2HE LYS 82 HE3 LYS 82 2.305 3.051 3.051
625 1HZ LYS 82 HZ1 LYS 82 4.340 2.205 2.205
626 2HZ LYS 82 HZ2 LYS 82 3.672 2.611 2.611
627 3HZ LYS 82 HZ3 LYS 82 2.949 1.497 1.497
628 H GLU 83 HN GLU 83 2.821 5.395 5.395
629 HA GLU 83 HA GLU 83 1.987 6.589 6.589
630 1HB GLU 83 HB2 GLU 83 4.774 6.890 6.890
631 2HB GLU 83 HB3 GLU 83 3.578 8.169 8.169
632 1HG GLU 83 HG2 GLU 83 4.470 7.029 7.029
633 2HG GLU 83 HG3 GLU 83 5.660 7.967 7.967
634 H TYR 84 HN TYR 84 3.064 5.463 5.463
635 HA TYR 84 HA TYR 84 4.413 2.988 2.988
636 1HB TYR 84 HB2 TYR 84 2.658 1.777 1.777
637 2HB TYR 84 HB3 TYR 84 1.989 2.445 2.445
638 HD1 TYR 84 HD2 TYR 84 2.610 3.562 3.562
639 HD2 TYR 84 HD1 TYR 84 -0.047 3.532 3.532
640 HE1 TYR 84 HE2 TYR 84 0.874 4.833 4.833
641 HE2 TYR 84 HE1 TYR 84 -1.774 4.803 4.803
642 HH TYR 84 HH TYR 84 -2.140 4.913 4.913
643 H LEU 85 HN LEU 85 5.499 1.983 1.983
644 HA LEU 85 HA LEU 85 6.208 3.933 3.933
645 1HB LEU 85 HB2 LEU 85 7.875 2.221 2.221
646 2HB LEU 85 HB3 LEU 85 7.999 2.778 2.778
647 HG LEU 85 HG LEU 85 8.226 0.228 0.228
648 1HD1 LEU 85 HD12 LEU 85 7.944 1.602 1.602
649 2HD1 LEU 85 HD13 LEU 85 6.519 0.539 0.539
650 3HD1 LEU 85 HD11 LEU 85 8.144 -0.165 -0.165
651 1HD2 LEU 85 HD21 LEU 85 5.225 0.525 0.525
652 2HD2 LEU 85 HD22 LEU 85 6.101 0.014 0.014
653 3HD2 LEU 85 HD23 LEU 85 6.123 -1.012 -1.012
654 H ILE 86 HN ILE 86 3.576 2.034 2.034
655 HA ILE 86 HA ILE 86 2.628 0.472 0.472
656 HB ILE 86 HB ILE 86 2.017 3.280 3.280
657 1HG1 ILE 86 HG12 ILE 86 -0.248 2.492 2.492
658 2HG1 ILE 86 HG13 ILE 86 0.194 0.907 0.907
659 1HG2 ILE 86 HG22 ILE 86 1.741 1.792 1.792
660 2HG2 ILE 86 HG23 ILE 86 0.553 3.032 3.032
661 3HG2 ILE 86 HG21 ILE 86 2.271 3.464 3.464
662 1HD1 ILE 86 HD11 ILE 86 1.865 1.550 1.550
663 2HD1 ILE 86 HD12 ILE 86 0.152 1.780 1.780
664 3HD1 ILE 86 HD13 ILE 86 0.712 0.208 0.208
665 H ALA 87 HN ALA 87 3.779 -0.892 -0.892
666 HA ALA 87 HA ALA 87 4.778 0.281 0.281
667 1HB ALA 87 HB1 ALA 87 6.223 -1.151 -1.151
668 2HB ALA 87 HB2 ALA 87 6.406 -1.919 -1.919
669 3HB ALA 87 HB3 ALA 87 6.852 -0.211 -0.211
670 H GLY 88 HN GLY 88 3.479 -0.478 -0.478
671 1HA GLY 88 HA1 GLY 88 2.924 -3.359 -3.359
672 2HA GLY 88 HA2 GLY 88 1.570 -2.248 -2.248
673 H LYS 89 HN LYS 89 1.439 -3.619 -3.619
674 HA LYS 89 HA LYS 89 3.185 -3.179 -3.179
675 1HB LYS 89 HB2 LYS 89 0.204 -3.440 -3.440
676 2HB LYS 89 HB3 LYS 89 1.497 -4.043 -4.043
677 1HG LYS 89 HG2 LYS 89 2.183 -5.398 -5.398
678 2HG LYS 89 HG3 LYS 89 0.513 -5.116 -5.116
679 1HD LYS 89 HD2 LYS 89 0.508 -7.215 -7.215
680 2HD LYS 89 HD3 LYS 89 -0.160 -6.062 -6.062
681 1HE LYS 89 HE2 LYS 89 2.559 -5.876 -5.876
682 2HE LYS 89 HE3 LYS 89 2.401 -7.569 -7.569
683 1HZ LYS 89 HZ1 LYS 89 0.284 -6.768 -6.768
684 2HZ LYS 89 HZ2 LYS 89 1.714 -6.415 -6.415
685 3HZ LYS 89 HZ3 LYS 89 1.390 -7.945 -7.945
686 H ALA 90 HN ALA 90 0.572 -1.122 -1.122
687 HA ALA 90 HA ALA 90 0.371 1.105 1.105
688 1HB ALA 90 HB3 ALA 90 2.905 0.938 0.938
689 2HB ALA 90 HB1 ALA 90 2.231 1.261 1.261
690 3HB ALA 90 HB2 ALA 90 1.974 2.427 2.427
691 H GLU 91 HN GLU 91 -0.448 2.735 2.735
692 HA GLU 91 HA GLU 91 -1.783 1.165 1.165
693 1HB GLU 91 HB2 GLU 91 -3.205 1.825 1.825
694 2HB GLU 91 HB3 GLU 91 -3.246 3.414 3.414
695 1HG GLU 91 HG2 GLU 91 -5.215 2.041 2.041
696 2HG GLU 91 HG3 GLU 91 -4.242 2.493 2.493
697 H GLY 92 HN GLY 92 0.450 3.460 3.460
698 1HA GLY 92 HA1 GLY 92 1.154 4.514 4.514
699 2HA GLY 92 HA2 GLY 92 -0.435 5.253 5.253
700 H ASP 93 HN ASP 93 -0.459 7.333 7.333
701 HA ASP 93 HA ASP 93 1.331 7.948 7.948
702 1HB ASP 93 HB2 ASP 93 0.877 9.452 9.452
703 2HB ASP 93 HB3 ASP 93 1.360 10.329 10.329
704 H GLY 94 HN GLY 94 0.387 9.393 9.393
705 1HA GLY 94 HA1 GLY 94 -1.175 10.770 10.770
706 2HA GLY 94 HA2 GLY 94 -2.076 10.780 10.780
707 H LYS 95 HN LYS 95 -1.467 7.552 7.552
708 HA LYS 95 HA LYS 95 -3.145 6.855 6.855
709 1HB LYS 95 HB2 LYS 95 -5.229 6.455 6.455
710 2HB LYS 95 HB3 LYS 95 -4.790 7.989 7.989
711 1HG LYS 95 HG2 LYS 95 -4.271 5.305 5.305
712 2HG LYS 95 HG3 LYS 95 -5.731 6.241 6.241
713 1HD LYS 95 HD2 LYS 95 -2.875 7.142 7.142
714 2HD LYS 95 HD3 LYS 95 -4.102 6.730 6.730
715 1HE LYS 95 HE2 LYS 95 -4.086 9.114 9.114
716 2HE LYS 95 HE3 LYS 95 -4.046 9.147 9.147
717 1HZ LYS 95 HZ2 LYS 95 -6.265 7.937 7.937
718 2HZ LYS 95 HZ3 LYS 95 -6.286 8.478 8.478
719 3HZ LYS 95 HZ1 LYS 95 -6.231 9.542 9.542
720 H MET 96 HN MET 96 -3.087 4.607 4.607
721 HA MET 96 HA MET 96 -2.000 3.018 3.018
722 1HB MET 96 HB2 MET 96 -0.457 2.051 2.051
723 2HB MET 96 HB3 MET 96 0.095 3.340 3.340
724 1HG MET 96 HG2 MET 96 0.024 4.895 4.895
725 2HG MET 96 HG3 MET 96 -1.551 4.358 4.358
726 1HE MET 96 HE2 MET 96 1.857 4.722 4.722
727 2HE MET 96 HE3 MET 96 1.588 4.813 4.813
728 3HE MET 96 HE1 MET 96 2.547 3.479 3.479
729 H HIS 97 HN HIS 97 -1.498 0.646 0.646
730 HA HIS 97 HA HIS 97 -4.048 0.175 0.175
731 1HB HIS 97 HB2 HIS 97 -3.188 -0.886 -0.886
732 2HB HIS 97 HB3 HIS 97 -3.263 -2.198 -2.198
733 HD1 HIS 97 HD1 HIS 97 -5.348 -3.156 -3.156
734 HD2 HIS 97 HD2 HIS 97 -5.935 0.610 0.610
735 HE1 HIS 97 HE1 HIS 97 -7.865 -2.740 -2.740
736 H ILE 98 HN ILE 98 -3.842 -0.823 -0.823
737 HA ILE 98 HA ILE 98 -1.433 -2.390 -2.390
738 HB ILE 98 HB ILE 98 -0.917 -1.260 -1.260
739 1HG1 ILE 98 HG12 ILE 98 -3.400 0.358 0.358
740 2HG1 ILE 98 HG13 ILE 98 -3.010 -0.578 -0.578
741 1HG2 ILE 98 HG22 ILE 98 -0.300 -0.339 -0.339
742 2HG2 ILE 98 HG23 ILE 98 -1.174 1.084 1.084
743 3HG2 ILE 98 HG21 ILE 98 0.238 0.456 0.456
744 1HD1 ILE 98 HD12 ILE 98 -1.037 1.555 1.555
745 2HD1 ILE 98 HD13 ILE 98 -2.653 2.129 2.129
746 3HD1 ILE 98 HD11 ILE 98 -1.717 1.087 1.087
747 H THR 99 HN THR 99 -1.715 -4.050 -4.050
748 HA THR 99 HA THR 99 -4.345 -4.226 -4.226
749 HB THR 99 HB THR 99 -4.106 -6.774 -6.774
750 HG1 THR 99 HG1 THR 99 -3.201 -6.518 -6.518
751 1HG2 THR 99 HG22 THR 99 -5.748 -4.567 -4.567
752 2HG2 THR 99 HG23 THR 99 -5.061 -5.050 -5.050
753 3HG2 THR 99 HG21 THR 99 -5.969 -6.230 -6.230
754 H LEU 100 HN LEU 100 -4.431 -6.046 -6.046
755 HA LEU 100 HA LEU 100 -2.281 -5.794 -5.794
756 1HB LEU 100 HB2 LEU 100 -3.516 -7.037 -7.037
757 2HB LEU 100 HB3 LEU 100 -4.768 -6.483 -6.483
758 HG LEU 100 HG LEU 100 -3.449 -9.137 -9.137
759 1HD1 LEU 100 HD13 LEU 100 -5.163 -8.436 -8.436
760 2HD1 LEU 100 HD11 LEU 100 -5.641 -9.891 -9.891
761 3HD1 LEU 100 HD12 LEU 100 -4.005 -9.769 -9.769
762 1HD2 LEU 100 HD21 LEU 100 -5.318 -7.748 -7.748
763 2HD2 LEU 100 HD22 LEU 100 -5.150 -9.521 -9.521
764 3HD2 LEU 100 HD23 LEU 100 -6.355 -8.753 -8.753
765 H CYS 101 HN CYS 101 -3.158 -8.400 -8.400
766 HA CYS 101 HA CYS 101 -1.084 -10.110 -10.110
767 1HB CYS 101 HB2 CYS 101 -3.220 -10.312 -10.312
768 2HB CYS 101 HB3 CYS 101 -1.983 -10.054 -10.054
769 H ASP 102 HN ASP 102 -1.306 -7.206 -7.206
770 HA ASP 102 HA ASP 102 1.134 -7.645 -7.645
771 1HB ASP 102 HB2 ASP 102 -0.943 -6.012 -6.012
772 2HB ASP 102 HB3 ASP 102 0.008 -4.881 -4.881
773 H PHE 103 HN PHE 103 2.977 -5.867 -5.867
774 HA PHE 103 HA PHE 103 3.873 -5.969 -5.969
775 1HB PHE 103 HB2 PHE 103 5.473 -6.026 -6.026
776 2HB PHE 103 HB3 PHE 103 4.710 -4.674 -4.674
777 HD1 PHE 103 HD2 PHE 103 5.244 -4.396 -4.396
778 HD2 PHE 103 HD1 PHE 103 6.946 -3.652 -3.652
779 HE1 PHE 103 HE2 PHE 103 6.904 -2.832 -2.832
780 HE2 PHE 103 HE1 PHE 103 8.607 -2.088 -2.088
781 HZ PHE 103 HZ PHE 103 8.566 -1.696 -1.696
782 H ILE 104 HN ILE 104 3.306 -4.636 -4.636
783 HA ILE 104 HA ILE 104 3.269 -1.829 -1.829
784 HB ILE 104 HB ILE 104 0.821 -1.678 -1.678
785 1HG1 ILE 104 HG12 ILE 104 0.737 -4.358 -4.358
786 2HG1 ILE 104 HG13 ILE 104 0.493 -4.104 -4.104
787 1HG2 ILE 104 HG21 ILE 104 2.045 -1.228 -1.228
788 2HG2 ILE 104 HG22 ILE 104 0.788 -2.393 -2.393
789 3HG2 ILE 104 HG23 ILE 104 0.333 -0.881 -0.881
790 1HD1 ILE 104 HD13 ILE 104 -1.412 -2.493 -2.493
791 2HD1 ILE 104 HD11 ILE 104 -1.250 -3.101 -3.101
792 3HD1 ILE 104 HD12 ILE 104 -1.701 -4.214 -4.214
793 H VAL 105 HN VAL 105 3.729 -0.842 -0.842
794 HA VAL 105 HA VAL 105 3.054 -2.180 -2.180
795 HB VAL 105 HB VAL 105 5.721 -1.731 -1.731
796 1HG1 VAL 105 HG13 VAL 105 4.373 -4.324 -4.324
797 2HG1 VAL 105 HG11 VAL 105 5.923 -4.192 -4.192
798 3HG1 VAL 105 HG12 VAL 105 4.420 -3.633 -3.633
799 1HG2 VAL 105 HG22 VAL 105 5.430 -2.897 -2.897
800 2HG2 VAL 105 HG23 VAL 105 6.252 -1.384 -1.384
801 3HG2 VAL 105 HG21 VAL 105 6.920 -2.949 -2.949
802 HA PRO 106 HA PRO 106 3.062 1.936 1.936
803 1HB PRO 106 HB2 PRO 106 3.473 1.720 1.720
804 2HB PRO 106 HB3 PRO 106 1.922 1.423 1.423
805 1HG PRO 106 HG2 PRO 106 3.864 -0.530 -0.530
806 2HG PRO 106 HG3 PRO 106 2.166 -0.758 -0.758
807 1HD PRO 106 HD2 PRO 106 4.393 -1.653 -1.653
808 2HD PRO 106 HD3 PRO 106 2.696 -1.779 -1.779
809 H TRP 107 HN TRP 107 5.762 0.430 0.430
810 HA TRP 107 HA TRP 107 7.849 1.141 1.141
811 1HB TRP 107 HB2 TRP 107 6.809 3.317 3.317
812 2HB TRP 107 HB3 TRP 107 6.929 3.815 3.815
813 HD1 TRP 107 HD1 TRP 107 9.532 2.377 2.377
814 HE1 TRP 107 HE1 TRP 107 11.788 3.739 3.739
815 HE3 TRP 107 HE3 TRP 107 8.011 5.565 5.565
816 HZ2 TRP 107 HZ2 TRP 107 12.664 5.947 5.947
817 HZ3 TRP 107 HZ3 TRP 107 9.628 7.294 7.294
818 HH2 TRP 107 HH2 TRP 107 11.885 7.515 7.515
819 H ASP 108 HN ASP 108 6.496 2.699 2.699
820 HA ASP 108 HA ASP 108 8.823 2.196 2.196
821 1HB ASP 108 HB2 ASP 108 7.187 3.961 3.961
822 2HB ASP 108 HB3 ASP 108 5.955 2.752 2.752
823 H THR 109 HN THR 109 8.408 -0.252 -0.252
824 HA THR 109 HA THR 109 7.886 -1.934 -1.934
825 HB THR 109 HB THR 109 6.156 -3.258 -3.258
826 HG1 THR 109 HG1 THR 109 5.963 -0.477 -0.477
827 1HG2 THR 109 HG22 THR 109 5.602 -1.856 -1.856
828 2HG2 THR 109 HG23 THR 109 5.221 -0.527 -0.527
829 3HG2 THR 109 HG21 THR 109 4.290 -2.043 -2.043
830 H LEU 110 HN LEU 110 8.180 -1.935 -1.935
831 HA LEU 110 HA LEU 110 9.126 -3.823 -3.823
832 1HB LEU 110 HB2 LEU 110 11.306 -1.903 -1.903
833 2HB LEU 110 HB3 LEU 110 11.369 -3.005 -3.005
834 HG LEU 110 HG LEU 110 9.331 -0.781 -0.781
835 1HD1 LEU 110 HD13 LEU 110 11.846 -0.140 -0.140
836 2HD1 LEU 110 HD11 LEU 110 11.672 -0.669 -0.669
837 3HD1 LEU 110 HD12 LEU 110 10.653 0.647 0.647
838 1HD2 LEU 110 HD22 LEU 110 9.405 -3.033 -3.033
839 2HD2 LEU 110 HD23 LEU 110 8.336 -1.613 -1.613
840 3HD2 LEU 110 HD21 LEU 110 9.874 -1.640 -1.640
841 H SER 111 HN SER 111 12.155 -3.358 -3.358
842 HA SER 111 HA SER 111 12.342 -4.698 -4.698
843 1HB SER 111 HB2 SER 111 11.380 -6.671 -6.671
844 2HB SER 111 HB3 SER 111 12.584 -7.231 -7.231
845 HG SER 111 HG SER 111 10.925 -6.026 -6.026
846 H THR 112 HN THR 112 13.279 -5.099 -5.099
847 HA THR 112 HA THR 112 15.749 -4.139 -4.139
848 HB THR 112 HB THR 112 15.652 -6.718 -6.718
849 HG1 THR 112 HG1 THR 112 17.297 -5.507 -5.507
850 1HG2 THR 112 HG21 THR 112 17.686 -6.122 -6.122
851 2HG2 THR 112 HG22 THR 112 18.169 -6.990 -6.990
852 3HG2 THR 112 HG23 THR 112 16.925 -7.679 -7.679
853 H THR 113 HN THR 113 14.569 -7.478 -7.478
854 HA THR 113 HA THR 113 15.732 -7.624 -7.624
855 HB THR 113 HB THR 113 13.103 -8.758 -8.758
856 HG1 THR 113 HG1 THR 113 15.855 -9.717 -9.717
857 1HG2 THR 113 HG21 THR 113 14.682 -9.294 -9.294
858 2HG2 THR 113 HG22 THR 113 13.905 -10.655 -10.655
859 3HG2 THR 113 HG23 THR 113 12.918 -9.301 -9.301
860 H GLN 114 HN GLN 114 13.055 -5.615 -5.615
861 HA GLN 114 HA GLN 114 12.203 -5.221 -5.221
862 1HB GLN 114 HB2 GLN 114 11.239 -4.338 -4.338
863 2HB GLN 114 HB3 GLN 114 10.735 -3.414 -3.414
864 1HG GLN 114 HG2 GLN 114 9.050 -4.973 -4.973
865 2HG GLN 114 HG3 GLN 114 10.249 -5.923 -5.923
866 1HE2 GLN 114 HE22 GLN 114 11.173 -7.887 -7.887
867 2HE2 GLN 114 HE21 GLN 114 11.906 -6.949 -6.949
868 H LYS 115 HN LYS 115 14.060 -3.569 -3.569
869 HA LYS 115 HA LYS 115 14.203 -1.080 -1.080
870 1HB LYS 115 HB2 LYS 115 15.300 -2.339 -2.339
871 2HB LYS 115 HB3 LYS 115 16.390 -1.188 -1.188
872 1HG LYS 115 HG2 LYS 115 14.954 0.620 0.620
873 2HG LYS 115 HG3 LYS 115 13.509 -0.364 -0.364
874 1HD LYS 115 HD2 LYS 115 15.445 -0.208 -0.208
875 2HD LYS 115 HD3 LYS 115 13.790 0.369 0.369
876 1HE LYS 115 HE2 LYS 115 13.194 -2.143 -2.143
877 2HE LYS 115 HE3 LYS 115 14.789 -2.496 -2.496
878 1HZ LYS 115 HZ1 LYS 115 13.938 -1.004 -1.004
879 2HZ LYS 115 HZ2 LYS 115 12.467 -1.462 -1.462
880 3HZ LYS 115 HZ3 LYS 115 13.548 -2.589 -2.589
881 H LYS 116 HN LYS 116 16.141 -4.092 -4.092
882 HA LYS 116 HA LYS 116 18.321 -3.019 -3.019
883 1HB LYS 116 HB2 LYS 116 19.024 -5.269 -5.269
884 2HB LYS 116 HB3 LYS 116 18.259 -5.167 -5.167
885 1HG LYS 116 HG2 LYS 116 16.906 -6.877 -6.877
886 2HG LYS 116 HG3 LYS 116 16.134 -5.784 -5.784
887 1HD LYS 116 HD2 LYS 116 18.733 -7.004 -7.004
888 2HD LYS 116 HD3 LYS 116 17.361 -8.088 -8.088
889 1HE LYS 116 HE2 LYS 116 16.574 -7.302 -7.302
890 2HE LYS 116 HE3 LYS 116 16.412 -5.703 -5.703
891 1HZ LYS 116 HZ1 LYS 116 18.878 -6.784 -6.784
892 2HZ LYS 116 HZ2 LYS 116 17.877 -5.710 -5.710
893 3HZ LYS 116 HZ3 LYS 116 18.707 -5.285 -5.285
894 H SER 117 HN SER 117 15.046 -3.727 -3.727
895 HA SER 117 HA SER 117 15.767 -4.010 -4.010
896 1HB SER 117 HB2 SER 117 13.763 -5.125 -5.125
897 2HB SER 117 HB3 SER 117 12.912 -3.693 -3.693
898 HG SER 117 HG SER 117 13.516 -5.963 -5.963
899 H LEU 118 HN LEU 118 14.825 -1.561 -1.561
900 HA LEU 118 HA LEU 118 13.560 0.248 0.248
901 1HB LEU 118 HB2 LEU 118 15.132 0.645 0.645
902 2HB LEU 118 HB3 LEU 118 14.229 1.915 1.915
903 HG LEU 118 HG LEU 118 13.103 -0.620 -0.620
904 1HD1 LEU 118 HD13 LEU 118 13.678 1.961 1.961
905 2HD1 LEU 118 HD11 LEU 118 11.912 1.747 1.747
906 3HD1 LEU 118 HD12 LEU 118 12.928 0.553 0.553
907 1HD2 LEU 118 HD21 LEU 118 11.773 1.513 1.513
908 2HD2 LEU 118 HD22 LEU 118 11.757 -0.252 -0.252
909 3HD2 LEU 118 HD23 LEU 118 10.868 0.482 0.482
910 H ASN 119 HN ASN 119 16.888 -0.785 -0.785
911 HA ASN 119 HA ASN 119 17.752 1.567 1.567
912 1HB ASN 119 HB2 ASN 119 20.072 0.635 0.635
913 2HB ASN 119 HB3 ASN 119 19.169 0.987 0.987
914 1HD2 ASN 119 HD22 ASN 119 20.169 -2.854 -2.854
915 2HD2 ASN 119 HD21 ASN 119 20.344 -1.498 -1.498
916 H HIS 120 HN HIS 120 16.447 -1.464 -1.464
917 HA HIS 120 HA HIS 120 18.234 -2.189 -2.189
918 1HB HIS 120 HB2 HIS 120 17.366 -4.275 -4.275
919 2HB HIS 120 HB3 HIS 120 16.980 -3.732 -3.732
920 HD1 HIS 120 HD1 HIS 120 14.511 -1.870 -1.870
921 HD2 HIS 120 HD2 HIS 120 15.108 -6.008 -6.008
922 HE1 HIS 120 HE1 HIS 120 12.216 -2.887 -2.887
923 H ARG 121 HN ARG 121 16.695 0.368 0.368
924 HA ARG 121 HA ARG 121 15.313 1.498 1.498
925 1HB ARG 121 HB2 ARG 121 16.850 -0.266 -0.266
926 2HB ARG 121 HB3 ARG 121 15.509 0.624 0.624
927 1HG ARG 121 HG2 ARG 121 17.608 1.931 1.931
928 2HG ARG 121 HG3 ARG 121 16.443 2.757 2.757
929 1HD ARG 121 HD2 ARG 121 17.789 2.619 2.619
930 2HD ARG 121 HD3 ARG 121 18.109 0.916 0.916
931 HE ARG 121 HE ARG 121 19.511 2.559 2.559
932 1HH1 ARG 121 HH22 ARG 121 19.636 1.408 1.408
933 2HH1 ARG 121 HH21 ARG 121 21.357 1.560 1.560
934 1HH2 ARG 121 HH12 ARG 121 21.783 2.759 2.759
935 2HH2 ARG 121 HH11 ARG 121 22.587 2.332 2.332
936 H TYR 122 HN TYR 122 14.883 -1.167 -1.167
937 HA TYR 122 HA TYR 122 12.279 -1.817 -1.817
938 1HB TYR 122 HB2 TYR 122 11.182 -1.205 -1.205
939 2HB TYR 122 HB3 TYR 122 12.352 0.084 0.084
940 HD1 TYR 122 HD1 TYR 122 14.576 -0.088 -0.088
941 HD2 TYR 122 HD2 TYR 122 11.210 -2.590 -2.590
942 HE1 TYR 122 HE1 TYR 122 15.547 -0.631 -0.631
943 HE2 TYR 122 HE2 TYR 122 12.193 -3.123 -3.123
944 HH TYR 122 HH TYR 122 14.230 -1.442 -1.442
945 H GLN 123 HN GLN 123 12.858 -3.935 -3.935
946 HA GLN 123 HA GLN 123 13.455 -6.009 -6.009
947 1HB GLN 123 HB2 GLN 123 11.395 -6.131 -6.131
948 2HB GLN 123 HB3 GLN 123 12.170 -5.487 -5.487
949 1HG GLN 123 HG2 GLN 123 13.740 -7.737 -7.737
950 2HG GLN 123 HG3 GLN 123 12.083 -8.251 -8.251
951 1HE2 GLN 123 HE22 GLN 123 12.447 -9.188 -9.188
952 2HE2 GLN 123 HE21 GLN 123 12.684 -9.705 -9.705
953 H MET 124 HN MET 124 15.762 -5.101 -5.101
954 HA MET 124 HA MET 124 17.208 -4.782 -4.782
955 1HB MET 124 HB2 MET 124 17.744 -5.083 -5.083
956 2HB MET 124 HB3 MET 124 19.093 -5.501 -5.501
957 1HG MET 124 HG2 MET 124 17.855 -3.027 -3.027
958 2HG MET 124 HG3 MET 124 18.244 -2.886 -2.886
959 1HE MET 124 HE2 MET 124 19.048 -2.705 -2.705
960 2HE MET 124 HE3 MET 124 20.205 -1.430 -1.430
961 3HE MET 124 HE1 MET 124 20.790 -2.945 -2.945
962 H GLY 125 HN GLY 125 15.979 -6.944 -6.944
963 1HA GLY 125 HA1 GLY 125 16.170 -9.071 -9.071
964 2HA GLY 125 HA2 GLY 125 17.900 -8.799 -8.799
965 H CYS 126 HN CYS 126 16.090 -8.443 -8.443
966 HA CYS 126 HA CYS 126 17.644 -10.262 -10.262
967 1HB CYS 126 HB2 CYS 126 16.421 -9.728 -9.728
968 2HB CYS 126 HB3 CYS 126 16.005 -8.375 -8.375
969 H GLU 127 HN GLU 127 15.969 -12.028 -12.028
970 HA GLU 127 HA GLU 127 14.166 -13.413 -13.413
971 1HB GLU 127 HB2 GLU 127 16.212 -13.902 -13.902
972 2HB GLU 127 HB3 GLU 127 16.923 -14.717 -14.717
973 1HG GLU 127 HG2 GLU 127 14.589 -16.050 -16.050
974 2HG GLU 127 HG3 GLU 127 14.567 -15.551 -15.551
Start of MODEL 7
1 H CYS 1 HN CYS 1 -6.860 -9.822 -9.822
2 HA CYS 1 HA CYS 1 -9.288 -9.184 -9.184
3 1HB CYS 1 HB2 CYS 1 -8.798 -10.767 -10.767
4 2HB CYS 1 HB3 CYS 1 -10.268 -10.971 -10.971
5 H SER 2 HN SER 2 -8.375 -10.020 -10.020
6 HA SER 2 HA SER 2 -7.992 -11.536 -11.536
7 1HB SER 2 HB2 SER 2 -8.976 -13.984 -13.984
8 2HB SER 2 HB3 SER 2 -9.750 -12.948 -12.948
9 HG SER 2 HG SER 2 -11.200 -12.541 -12.541
10 H CYS 3 HN CYS 3 -6.304 -11.321 -11.321
11 HA CYS 3 HA CYS 3 -5.108 -13.822 -13.822
12 1HB CYS 3 HB2 CYS 3 -5.052 -11.483 -11.483
13 2HB CYS 3 HB3 CYS 3 -3.506 -11.379 -11.379
14 H SER 4 HN SER 4 -2.646 -14.163 -14.163
15 HA SER 4 HA SER 4 -2.264 -13.381 -13.381
16 1HB SER 4 HB2 SER 4 -0.824 -15.330 -15.330
17 2HB SER 4 HB3 SER 4 -2.326 -15.827 -15.827
18 HG SER 4 HG SER 4 -0.517 -15.038 -15.038
19 HA PRO 5 HA PRO 5 0.898 -10.829 -10.829
20 1HB PRO 5 HB2 PRO 5 1.244 -9.204 -9.204
21 2HB PRO 5 HB3 PRO 5 0.049 -8.898 -8.898
22 1HG PRO 5 HG2 PRO 5 -0.353 -9.937 -9.937
23 2HG PRO 5 HG3 PRO 5 -1.529 -9.232 -9.232
24 1HD PRO 5 HD2 PRO 5 -1.192 -12.018 -12.018
25 2HD PRO 5 HD3 PRO 5 -2.290 -11.323 -11.323
26 H VAL 6 HN VAL 6 2.942 -11.420 -11.420
27 HA VAL 6 HA VAL 6 4.484 -11.991 -11.991
28 HB VAL 6 HB VAL 6 3.338 -14.119 -14.119
29 1HG1 VAL 6 HG12 VAL 6 4.280 -13.373 -13.373
30 2HG1 VAL 6 HG13 VAL 6 4.995 -14.938 -14.938
31 3HG1 VAL 6 HG11 VAL 6 3.228 -14.731 -14.731
32 1HG2 VAL 6 HG21 VAL 6 6.245 -13.692 -13.692
33 2HG2 VAL 6 HG22 VAL 6 5.132 -14.735 -14.735
34 3HG2 VAL 6 HG23 VAL 6 5.785 -15.285 -15.285
35 H HIS 7 HN HIS 7 6.207 -13.498 -13.498
36 HA HIS 7 HA HIS 7 8.110 -12.849 -12.849
37 1HB HIS 7 HB2 HIS 7 7.476 -11.138 -11.138
38 2HB HIS 7 HB3 HIS 7 7.117 -12.853 -12.853
39 HD1 HIS 7 HD1 HIS 7 4.743 -13.418 -13.418
40 HD2 HIS 7 HD2 HIS 7 5.113 -9.602 -9.602
41 HE1 HIS 7 HE1 HIS 7 2.405 -12.395 -12.395
42 HA PRO 8 HA PRO 8 8.858 -9.085 -9.085
43 1HB PRO 8 HB2 PRO 8 11.133 -9.928 -9.928
44 2HB PRO 8 HB3 PRO 8 9.534 -10.094 -10.094
45 1HG PRO 8 HG2 PRO 8 11.249 -12.170 -12.170
46 2HG PRO 8 HG3 PRO 8 9.870 -12.371 -12.371
47 1HD PRO 8 HD2 PRO 8 9.920 -12.773 -12.773
48 2HD PRO 8 HD3 PRO 8 8.517 -12.860 -12.860
49 H GLN 9 HN GLN 9 10.115 -10.539 -10.539
50 HA GLN 9 HA GLN 9 11.836 -8.241 -8.241
51 1HB GLN 9 HB2 GLN 9 13.327 -10.085 -10.085
52 2HB GLN 9 HB3 GLN 9 12.651 -11.131 -11.131
53 1HG GLN 9 HG2 GLN 9 14.201 -10.348 -10.348
54 2HG GLN 9 HG3 GLN 9 13.420 -8.779 -8.779
55 1HE2 GLN 9 HE22 GLN 9 15.580 -7.535 -7.535
56 2HE2 GLN 9 HE21 GLN 9 13.897 -7.682 -7.682
57 H GLN 10 HN GLN 10 10.119 -11.109 -11.109
58 HA GLN 10 HA GLN 10 10.342 -10.303 -10.303
59 1HB GLN 10 HB2 GLN 10 7.998 -11.920 -11.920
60 2HB GLN 10 HB3 GLN 10 8.880 -12.096 -12.096
61 1HG GLN 10 HG2 GLN 10 10.938 -12.613 -12.613
62 2HG GLN 10 HG3 GLN 10 9.669 -12.992 -12.992
63 1HE2 GLN 10 HE22 GLN 10 9.162 -16.174 -16.174
64 2HE2 GLN 10 HE21 GLN 10 9.160 -15.030 -15.030
65 H ALA 11 HN ALA 11 8.790 -8.767 -8.767
66 HA ALA 11 HA ALA 11 6.427 -7.959 -7.959
67 1HB ALA 11 HB2 ALA 11 7.488 -7.856 -7.856
68 2HB ALA 11 HB3 ALA 11 6.759 -6.309 -6.309
69 3HB ALA 11 HB1 ALA 11 5.801 -7.808 -7.808
70 H PHE 12 HN PHE 12 9.686 -6.702 -6.702
71 HA PHE 12 HA PHE 12 9.065 -4.153 -4.153
72 1HB PHE 12 HB2 PHE 12 11.558 -5.495 -5.495
73 2HB PHE 12 HB3 PHE 12 11.576 -3.849 -3.849
74 HD1 PHE 12 HD1 PHE 12 9.159 -5.758 -5.758
75 HD2 PHE 12 HD2 PHE 12 11.685 -2.368 -2.368
76 HE1 PHE 12 HE1 PHE 12 8.379 -4.935 -4.935
77 HE2 PHE 12 HE2 PHE 12 10.905 -1.545 -1.545
78 HZ PHE 12 HZ PHE 12 9.261 -2.838 -2.838
79 H CYS 13 HN CYS 13 9.636 -7.157 -7.157
80 HA CYS 13 HA CYS 13 11.328 -6.096 -6.096
81 1HB CYS 13 HB2 CYS 13 11.055 -8.806 -8.806
82 2HB CYS 13 HB3 CYS 13 11.425 -8.707 -8.707
83 H ASN 14 HN ASN 14 8.156 -7.040 -7.040
84 HA ASN 14 HA ASN 14 7.381 -7.735 -7.735
85 1HB ASN 14 HB2 ASN 14 6.474 -8.454 -8.454
86 2HB ASN 14 HB3 ASN 14 5.163 -7.549 -7.549
87 1HD2 ASN 14 HD22 ASN 14 6.032 -11.349 -11.349
88 2HD2 ASN 14 HD21 ASN 14 6.823 -10.490 -10.490
89 H ALA 15 HN ALA 15 6.926 -5.294 -5.294
90 HA ALA 15 HA ALA 15 4.866 -3.822 -3.822
91 1HB ALA 15 HB1 ALA 15 7.233 -2.948 -2.948
92 2HB ALA 15 HB2 ALA 15 5.756 -1.993 -1.993
93 3HB ALA 15 HB3 ALA 15 5.665 -3.549 -3.549
94 H ASP 16 HN ASP 16 5.220 -1.432 -1.432
95 HA ASP 16 HA ASP 16 7.539 -1.254 -1.254
96 1HB ASP 16 HB2 ASP 16 4.716 -1.621 -1.621
97 2HB ASP 16 HB3 ASP 16 5.639 -0.385 -0.385
98 H VAL 17 HN VAL 17 5.929 0.028 0.028
99 HA VAL 17 HA VAL 17 6.570 2.712 2.712
100 HB VAL 17 HB VAL 17 4.480 2.540 2.540
101 1HG1 VAL 17 HG11 VAL 17 3.532 0.710 0.710
102 2HG1 VAL 17 HG12 VAL 17 3.041 2.022 2.022
103 3HG1 VAL 17 HG13 VAL 17 2.394 1.961 1.961
104 1HG2 VAL 17 HG22 VAL 17 5.213 4.567 4.567
105 2HG2 VAL 17 HG23 VAL 17 3.694 4.588 4.588
106 3HG2 VAL 17 HG21 VAL 17 3.676 4.162 4.162
107 H VAL 18 HN VAL 18 7.858 2.479 2.479
108 HA VAL 18 HA VAL 18 6.375 1.952 1.952
109 HB VAL 18 HB VAL 18 9.326 2.246 2.246
110 1HG1 VAL 18 HG11 VAL 18 7.250 1.023 1.023
111 2HG1 VAL 18 HG12 VAL 18 8.536 -0.145 -0.145
112 3HG1 VAL 18 HG13 VAL 18 8.941 1.395 1.395
113 1HG2 VAL 18 HG21 VAL 18 8.795 1.000 1.000
114 2HG2 VAL 18 HG22 VAL 18 9.760 0.080 0.080
115 3HG2 VAL 18 HG23 VAL 18 8.022 -0.254 -0.254
116 H ILE 19 HN ILE 19 5.684 3.671 3.671
117 HA ILE 19 HA ILE 19 7.412 6.004 6.004
118 HB ILE 19 HB ILE 19 5.706 7.552 7.552
119 1HG1 ILE 19 HG12 ILE 19 3.917 5.186 5.186
120 2HG1 ILE 19 HG13 ILE 19 3.648 6.847 6.847
121 1HG2 ILE 19 HG21 ILE 19 7.071 6.390 6.390
122 2HG2 ILE 19 HG22 ILE 19 5.605 5.443 5.443
123 3HG2 ILE 19 HG23 ILE 19 5.582 7.214 7.214
124 1HD1 ILE 19 HD13 ILE 19 3.620 7.412 7.412
125 2HD1 ILE 19 HD11 ILE 19 3.464 5.657 5.657
126 3HD1 ILE 19 HD12 ILE 19 2.217 6.540 6.540
127 H ARG 20 HN ARG 20 7.616 6.646 6.646
128 HA ARG 20 HA ARG 20 6.057 5.299 5.299
129 1HB ARG 20 HB2 ARG 20 7.965 7.642 7.642
130 2HB ARG 20 HB3 ARG 20 7.484 6.440 6.440
131 1HG ARG 20 HG2 ARG 20 8.847 4.776 4.776
132 2HG ARG 20 HG3 ARG 20 8.755 5.438 5.438
133 1HD ARG 20 HD2 ARG 20 11.009 5.689 5.689
134 2HD ARG 20 HD3 ARG 20 10.407 7.083 7.083
135 HE ARG 20 HE ARG 20 9.272 7.482 7.482
136 1HH1 ARG 20 HH22 ARG 20 12.564 6.639 6.639
137 2HH1 ARG 20 HH21 ARG 20 13.280 7.416 7.416
138 1HH2 ARG 20 HH12 ARG 20 10.216 8.508 8.508
139 2HH2 ARG 20 HH11 ARG 20 11.935 8.487 8.487
140 H THR 21 HN THR 21 4.369 6.850 6.850
141 HA THR 21 HA THR 21 3.814 9.413 9.413
142 HB THR 21 HB THR 21 3.083 8.687 8.687
143 HG1 THR 21 HG1 THR 21 1.239 9.836 9.836
144 1HG2 THR 21 HG21 THR 21 2.687 6.209 6.209
145 2HG2 THR 21 HG22 THR 21 1.090 6.803 6.803
146 3HG2 THR 21 HG23 THR 21 1.564 6.889 6.889
147 H LYS 22 HN LYS 22 1.550 9.965 9.965
148 HA LYS 22 HA LYS 22 1.021 8.065 8.065
149 1HB LYS 22 HB2 LYS 22 0.735 9.938 9.938
150 2HB LYS 22 HB3 LYS 22 2.350 9.936 9.936
151 1HG LYS 22 HG2 LYS 22 1.759 11.701 11.701
152 2HG LYS 22 HG3 LYS 22 0.068 11.611 11.611
153 1HD LYS 22 HD2 LYS 22 2.398 12.656 12.656
154 2HD LYS 22 HD3 LYS 22 0.939 13.506 13.506
155 1HE LYS 22 HE2 LYS 22 -0.354 11.746 11.746
156 2HE LYS 22 HE3 LYS 22 1.204 11.271 11.271
157 1HZ LYS 22 HZ2 LYS 22 1.525 13.598 13.598
158 2HZ LYS 22 HZ3 LYS 22 0.010 13.950 13.950
159 3HZ LYS 22 HZ1 LYS 22 0.242 12.912 12.912
160 H ALA 23 HN ALA 23 -1.032 7.333 7.333
161 HA ALA 23 HA ALA 23 -2.947 8.764 8.764
162 1HB ALA 23 HB1 ALA 23 -3.004 6.021 6.021
163 2HB ALA 23 HB2 ALA 23 -4.267 6.671 6.671
164 3HB ALA 23 HB3 ALA 23 -2.634 6.362 6.362
165 H VAL 24 HN VAL 24 -3.900 10.445 10.445
166 HA VAL 24 HA VAL 24 -4.736 9.920 9.920
167 HB VAL 24 HB VAL 24 -4.975 12.489 12.489
168 1HG1 VAL 24 HG13 VAL 24 -2.525 10.813 10.813
169 2HG1 VAL 24 HG11 VAL 24 -2.288 12.576 12.576
170 3HG1 VAL 24 HG12 VAL 24 -3.312 11.863 11.863
171 1HG2 VAL 24 HG21 VAL 24 -4.655 12.514 12.514
172 2HG2 VAL 24 HG22 VAL 24 -3.774 13.730 13.730
173 3HG2 VAL 24 HG23 VAL 24 -2.922 12.291 12.291
174 H SER 25 HN SER 25 -5.752 10.941 10.941
175 HA SER 25 HA SER 25 -8.495 10.854 10.854
176 1HB SER 25 HB2 SER 25 -8.351 13.005 13.005
177 2HB SER 25 HB3 SER 25 -7.108 12.584 12.584
178 HG SER 25 HG SER 25 -9.130 13.028 13.028
179 H GLU 26 HN GLU 26 -10.108 10.144 10.144
180 HA GLU 26 HA GLU 26 -8.901 8.371 8.371
181 1HB GLU 26 HB2 GLU 26 -10.560 7.408 7.408
182 2HB GLU 26 HB3 GLU 26 -10.590 6.526 6.526
183 1HG GLU 26 HG2 GLU 26 -8.698 5.476 5.476
184 2HG GLU 26 HG3 GLU 26 -7.852 6.986 6.986
185 H LYS 27 HN LYS 27 -11.002 7.105 7.105
186 HA LYS 27 HA LYS 27 -13.259 8.909 8.909
187 1HB LYS 27 HB2 LYS 27 -11.688 9.914 9.914
188 2HB LYS 27 HB3 LYS 27 -11.502 8.379 8.379
189 1HG LYS 27 HG2 LYS 27 -13.654 8.448 8.448
190 2HG LYS 27 HG3 LYS 27 -14.301 9.441 9.441
191 1HD LYS 27 HD2 LYS 27 -13.918 10.564 10.564
192 2HD LYS 27 HD3 LYS 27 -13.397 11.440 11.440
193 1HE LYS 27 HE2 LYS 27 -11.089 10.885 10.885
194 2HE LYS 27 HE3 LYS 27 -11.482 9.595 9.595
195 1HZ LYS 27 HZ3 LYS 27 -12.347 12.280 12.280
196 2HZ LYS 27 HZ1 LYS 27 -10.762 11.924 11.924
197 3HZ LYS 27 HZ2 LYS 27 -11.881 11.064 11.064
198 H GLU 28 HN GLU 28 -14.957 7.574 7.574
199 HA GLU 28 HA GLU 28 -14.663 4.814 4.814
200 1HB GLU 28 HB2 GLU 28 -16.007 5.458 5.458
201 2HB GLU 28 HB3 GLU 28 -16.988 6.541 6.541
202 1HG GLU 28 HG2 GLU 28 -17.485 4.281 4.281
203 2HG GLU 28 HG3 GLU 28 -17.058 3.530 3.530
204 H VAL 29 HN VAL 29 -14.309 4.526 4.526
205 HA VAL 29 HA VAL 29 -16.365 5.589 5.589
206 HB VAL 29 HB VAL 29 -14.757 4.745 4.745
207 1HG1 VAL 29 HG11 VAL 29 -14.694 7.081 7.081
208 2HG1 VAL 29 HG12 VAL 29 -13.014 6.625 6.625
209 3HG1 VAL 29 HG13 VAL 29 -14.172 6.893 6.893
210 1HG2 VAL 29 HG23 VAL 29 -13.601 3.316 3.316
211 2HG2 VAL 29 HG21 VAL 29 -12.753 3.803 3.803
212 3HG2 VAL 29 HG22 VAL 29 -12.551 4.754 4.754
213 H ASP 30 HN ASP 30 -18.153 4.255 4.255
214 HA ASP 30 HA ASP 30 -18.210 1.658 1.658
215 1HB ASP 30 HB2 ASP 30 -20.034 2.722 2.722
216 2HB ASP 30 HB3 ASP 30 -20.429 1.615 1.615
217 H SER 31 HN SER 31 -18.245 -0.353 -0.353
218 HA SER 31 HA SER 31 -17.394 -0.046 -0.046
219 1HB SER 31 HB2 SER 31 -15.319 -0.645 -0.645
220 2HB SER 31 HB3 SER 31 -15.975 -1.422 -1.422
221 HG SER 31 HG SER 31 -16.265 -2.557 -2.557
222 H GLY 32 HN GLY 32 -19.919 -0.807 -0.807
223 1HA GLY 32 HA1 GLY 32 -21.699 -2.141 -2.141
224 2HA GLY 32 HA2 GLY 32 -20.888 -2.807 -2.807
225 H ASN 33 HN ASN 33 -22.139 -4.769 -4.769
226 HA ASN 33 HA ASN 33 -20.799 -5.872 -5.872
227 1HB ASN 33 HB2 ASN 33 -22.734 -7.375 -7.375
228 2HB ASN 33 HB3 ASN 33 -22.474 -7.595 -7.595
229 1HD2 ASN 33 HD22 ASN 33 -24.346 -4.723 -4.723
230 2HD2 ASN 33 HD21 ASN 33 -22.927 -5.654 -5.654
231 H ASP 34 HN ASP 34 -20.014 -8.287 -8.287
232 HA ASP 34 HA ASP 34 -18.345 -8.406 -8.406
233 1HB ASP 34 HB2 ASP 34 -17.710 -8.820 -8.820
234 2HB ASP 34 HB3 ASP 34 -18.275 -10.443 -10.443
235 H ILE 35 HN ILE 35 -17.945 -11.317 -11.317
236 HA ILE 35 HA ILE 35 -20.328 -12.107 -12.107
237 HB ILE 35 HB ILE 35 -17.735 -13.557 -13.557
238 1HG1 ILE 35 HG12 ILE 35 -17.362 -13.006 -13.006
239 2HG1 ILE 35 HG13 ILE 35 -18.674 -11.855 -11.855
240 1HG2 ILE 35 HG23 ILE 35 -20.164 -14.269 -14.269
241 2HG2 ILE 35 HG21 ILE 35 -18.551 -14.888 -14.888
242 3HG2 ILE 35 HG22 ILE 35 -19.254 -15.258 -15.258
243 1HD1 ILE 35 HD13 ILE 35 -16.451 -11.784 -11.784
244 2HD1 ILE 35 HD11 ILE 35 -16.174 -11.085 -11.085
245 3HD1 ILE 35 HD12 ILE 35 -17.485 -10.458 -10.458
246 H TYR 36 HN TYR 36 -19.635 -11.832 -11.832
247 HA TYR 36 HA TYR 36 -20.982 -14.353 -14.353
248 1HB TYR 36 HB2 TYR 36 -18.616 -13.305 -13.305
249 2HB TYR 36 HB3 TYR 36 -19.683 -12.395 -12.395
250 HD1 TYR 36 HD1 TYR 36 -19.369 -15.967 -15.967
251 HD2 TYR 36 HD2 TYR 36 -19.938 -13.266 -13.266
252 HE1 TYR 36 HE1 TYR 36 -19.462 -17.929 -17.929
253 HE2 TYR 36 HE2 TYR 36 -20.029 -15.237 -15.237
254 HH TYR 36 HH TYR 36 -19.649 -18.561 -18.561
255 H GLY 37 HN GLY 37 -21.683 -11.166 -11.166
256 1HA GLY 37 HA1 GLY 37 -23.736 -10.168 -10.168
257 2HA GLY 37 HA2 GLY 37 -24.136 -11.292 -11.292
258 H ASN 38 HN ASN 38 -21.094 -10.490 -10.490
259 HA ASN 38 HA ASN 38 -22.042 -8.675 -8.675
260 1HB ASN 38 HB2 ASN 38 -19.506 -8.649 -8.649
261 2HB ASN 38 HB3 ASN 38 -20.343 -10.182 -10.182
262 1HD2 ASN 38 HD22 ASN 38 -17.128 -10.770 -10.770
263 2HD2 ASN 38 HD21 ASN 38 -17.663 -10.164 -10.164
264 HA PRO 39 HA PRO 39 -20.757 -5.009 -5.009
265 1HB PRO 39 HB2 PRO 39 -20.259 -3.323 -3.323
266 2HB PRO 39 HB3 PRO 39 -21.872 -3.670 -3.670
267 1HG PRO 39 HG2 PRO 39 -20.541 -4.659 -4.659
268 2HG PRO 39 HG3 PRO 39 -22.250 -4.638 -4.638
269 1HD PRO 39 HD2 PRO 39 -20.500 -6.909 -6.909
270 2HD PRO 39 HD3 PRO 39 -22.179 -6.863 -6.863
271 H ILE 40 HN ILE 40 -19.036 -4.384 -4.384
272 HA ILE 40 HA ILE 40 -16.528 -5.400 -5.400
273 HB ILE 40 HB ILE 40 -17.329 -3.563 -3.563
274 1HG1 ILE 40 HG12 ILE 40 -16.787 -6.542 -6.542
275 2HG1 ILE 40 HG13 ILE 40 -18.331 -5.767 -5.767
276 1HG2 ILE 40 HG22 ILE 40 -14.663 -4.744 -4.744
277 2HG2 ILE 40 HG23 ILE 40 -15.066 -4.360 -4.360
278 3HG2 ILE 40 HG21 ILE 40 -15.069 -3.073 -3.073
279 1HD1 ILE 40 HD12 ILE 40 -16.955 -4.562 -4.562
280 2HD1 ILE 40 HD13 ILE 40 -15.959 -6.029 -6.029
281 3HD1 ILE 40 HD11 ILE 40 -17.695 -6.166 -6.166
282 H LYS 41 HN LYS 41 -17.052 -1.994 -1.994
283 HA LYS 41 HA LYS 41 -16.494 -0.068 -0.068
284 1HB LYS 41 HB2 LYS 41 -17.826 -0.871 -0.871
285 2HB LYS 41 HB3 LYS 41 -16.373 -1.556 -1.556
286 1HG LYS 41 HG2 LYS 41 -16.847 0.689 0.689
287 2HG LYS 41 HG3 LYS 41 -15.315 0.676 0.676
288 1HD LYS 41 HD2 LYS 41 -16.359 2.662 2.662
289 2HD LYS 41 HD3 LYS 41 -16.639 1.523 1.523
290 1HE LYS 41 HE2 LYS 41 -18.646 2.078 2.078
291 2HE LYS 41 HE3 LYS 41 -18.692 2.857 2.857
292 1HZ LYS 41 HZ1 LYS 41 -18.526 0.272 0.272
293 2HZ LYS 41 HZ2 LYS 41 -19.427 0.196 0.196
294 3HZ LYS 41 HZ3 LYS 41 -19.923 1.111 1.111
295 H ARG 42 HN ARG 42 -14.584 0.927 0.927
296 HA ARG 42 HA ARG 42 -12.220 -0.483 -0.483
297 1HB ARG 42 HB2 ARG 42 -11.336 0.876 0.876
298 2HB ARG 42 HB3 ARG 42 -11.698 -0.837 -0.837
299 1HG ARG 42 HG2 ARG 42 -14.111 -0.288 -0.288
300 2HG ARG 42 HG3 ARG 42 -13.632 1.386 1.386
301 1HD ARG 42 HD2 ARG 42 -11.830 0.460 0.460
302 2HD ARG 42 HD3 ARG 42 -12.746 -1.034 -1.034
303 HE ARG 42 HE ARG 42 -14.392 1.341 1.341
304 1HH1 ARG 42 HH22 ARG 42 -12.428 -1.194 -1.194
305 2HH1 ARG 42 HH21 ARG 42 -13.184 -1.070 -1.070
306 1HH2 ARG 42 HH12 ARG 42 -15.389 1.506 1.506
307 2HH2 ARG 42 HH11 ARG 42 -14.878 0.477 0.477
308 H ILE 43 HN ILE 43 -12.741 1.178 1.178
309 HA ILE 43 HA ILE 43 -12.775 3.852 3.852
310 HB ILE 43 HB ILE 43 -12.012 1.910 1.910
311 1HG1 ILE 43 HG12 ILE 43 -13.119 3.719 3.719
312 2HG1 ILE 43 HG13 ILE 43 -13.428 4.579 4.579
313 1HG2 ILE 43 HG23 ILE 43 -9.854 3.082 3.082
314 2HG2 ILE 43 HG21 ILE 43 -10.688 4.632 4.632
315 3HG2 ILE 43 HG22 ILE 43 -10.716 3.379 3.379
316 1HD1 ILE 43 HD11 ILE 43 -14.157 1.736 1.736
317 2HD1 ILE 43 HD12 ILE 43 -15.029 2.563 2.563
318 3HD1 ILE 43 HD13 ILE 43 -15.130 3.184 3.184
319 H GLN 44 HN GLN 44 -11.275 5.578 5.578
320 HA GLN 44 HA GLN 44 -8.944 4.816 4.816
321 1HB GLN 44 HB2 GLN 44 -10.216 7.515 7.515
322 2HB GLN 44 HB3 GLN 44 -8.739 7.344 7.344
323 1HG GLN 44 HG2 GLN 44 -11.525 6.355 6.355
324 2HG GLN 44 HG3 GLN 44 -10.502 7.451 7.451
325 1HE2 GLN 44 HE22 GLN 44 -9.989 3.356 3.356
326 2HE2 GLN 44 HE21 GLN 44 -10.928 4.134 4.134
327 H TYR 45 HN TYR 45 -7.031 6.686 6.686
328 HA TYR 45 HA TYR 45 -6.622 6.639 6.639
329 1HB TYR 45 HB2 TYR 45 -5.151 5.307 5.307
330 2HB TYR 45 HB3 TYR 45 -4.110 6.162 6.162
331 HD1 TYR 45 HD2 TYR 45 -5.768 5.639 5.639
332 HD2 TYR 45 HD1 TYR 45 -4.476 3.075 3.075
333 HE1 TYR 45 HE2 TYR 45 -5.833 3.644 3.644
334 HE2 TYR 45 HE1 TYR 45 -4.546 1.089 1.089
335 HH TYR 45 HH TYR 45 -5.307 1.545 1.545
336 H GLU 46 HN GLU 46 -7.384 8.957 8.957
337 HA GLU 46 HA GLU 46 -5.728 10.567 10.567
338 1HB GLU 46 HB2 GLU 46 -8.161 10.908 10.908
339 2HB GLU 46 HB3 GLU 46 -7.256 11.704 11.704
340 1HG GLU 46 HG2 GLU 46 -6.265 13.278 13.278
341 2HG GLU 46 HG3 GLU 46 -6.915 12.391 12.391
342 H ILE 47 HN ILE 47 -3.621 9.577 9.577
343 HA ILE 47 HA ILE 47 -2.815 10.245 10.245
344 HB ILE 47 HB ILE 47 -0.590 9.590 9.590
345 1HG1 ILE 47 HG12 ILE 47 -1.903 9.744 9.744
346 2HG1 ILE 47 HG13 ILE 47 -0.370 10.408 10.408
347 1HG2 ILE 47 HG22 ILE 47 -2.926 8.004 8.004
348 2HG2 ILE 47 HG23 ILE 47 -1.962 7.388 7.388
349 3HG2 ILE 47 HG21 ILE 47 -1.236 7.508 7.508
350 1HD1 ILE 47 HD11 ILE 47 -0.197 7.590 7.590
351 2HD1 ILE 47 HD12 ILE 47 -0.907 7.822 7.822
352 3HD1 ILE 47 HD13 ILE 47 0.664 8.558 8.558
353 H LYS 48 HN LYS 48 -0.434 11.521 11.521
354 HA LYS 48 HA LYS 48 -1.077 14.115 14.115
355 1HB LYS 48 HB2 LYS 48 -1.228 13.736 13.736
356 2HB LYS 48 HB3 LYS 48 0.513 13.915 13.915
357 1HG LYS 48 HG2 LYS 48 0.365 16.124 16.124
358 2HG LYS 48 HG3 LYS 48 -1.315 15.919 15.919
359 1HD LYS 48 HD2 LYS 48 -0.760 17.323 17.323
360 2HD LYS 48 HD3 LYS 48 -2.093 16.188 16.188
361 1HE LYS 48 HE2 LYS 48 -0.773 14.547 14.547
362 2HE LYS 48 HE3 LYS 48 0.724 15.388 15.388
363 1HZ LYS 48 HZ3 LYS 48 -1.397 16.697 16.697
364 2HZ LYS 48 HZ1 LYS 48 -0.325 15.709 15.709
365 3HZ LYS 48 HZ2 LYS 48 0.196 17.052 17.052
366 H GLN 49 HN GLN 49 0.902 11.416 11.416
367 HA GLN 49 HA GLN 49 2.867 10.982 10.982
368 1HB GLN 49 HB2 GLN 49 2.252 13.567 13.567
369 2HB GLN 49 HB3 GLN 49 3.735 12.689 12.689
370 1HG GLN 49 HG2 GLN 49 1.045 11.274 11.274
371 2HG GLN 49 HG3 GLN 49 1.631 12.160 12.160
372 1HE2 GLN 49 HE22 GLN 49 4.646 10.058 10.058
373 2HE2 GLN 49 HE21 GLN 49 4.253 11.733 11.733
374 H ILE 50 HN ILE 50 4.651 10.920 10.920
375 HA ILE 50 HA ILE 50 5.735 13.508 13.508
376 HB ILE 50 HB ILE 50 5.760 12.895 12.895
377 1HG1 ILE 50 HG12 ILE 50 6.740 10.241 10.241
378 2HG1 ILE 50 HG13 ILE 50 7.573 11.428 11.428
379 1HG2 ILE 50 HG22 ILE 50 3.460 12.161 12.161
380 2HG2 ILE 50 HG23 ILE 50 4.042 10.511 10.511
381 3HG2 ILE 50 HG21 ILE 50 3.912 11.687 11.687
382 1HD1 ILE 50 HD13 ILE 50 5.916 10.951 10.951
383 2HD1 ILE 50 HD11 ILE 50 5.267 9.628 9.628
384 3HD1 ILE 50 HD12 ILE 50 6.954 9.570 9.570
385 H LYS 51 HN LYS 51 6.273 10.163 10.163
386 HA LYS 51 HA LYS 51 8.887 11.008 11.008
387 1HB LYS 51 HB2 LYS 51 8.693 9.614 9.614
388 2HB LYS 51 HB3 LYS 51 9.025 8.353 8.353
389 1HG LYS 51 HG2 LYS 51 11.089 9.298 9.298
390 2HG LYS 51 HG3 LYS 51 10.633 10.911 10.911
391 1HD LYS 51 HD2 LYS 51 10.496 9.455 9.455
392 2HD LYS 51 HD3 LYS 51 11.858 8.717 8.717
393 1HE LYS 51 HE2 LYS 51 12.785 11.071 11.071
394 2HE LYS 51 HE3 LYS 51 11.503 11.684 11.684
395 1HZ LYS 51 HZ2 LYS 51 12.398 9.923 9.923
396 2HZ LYS 51 HZ3 LYS 51 13.762 10.003 10.003
397 3HZ LYS 51 HZ1 LYS 51 13.190 11.344 11.344
398 H MET 52 HN MET 52 9.782 9.412 9.412
399 HA MET 52 HA MET 52 7.717 7.686 7.686
400 1HB MET 52 HB2 MET 52 8.116 8.600 8.600
401 2HB MET 52 HB3 MET 52 7.557 9.868 9.868
402 1HG MET 52 HG2 MET 52 9.470 11.062 11.062
403 2HG MET 52 HG3 MET 52 10.464 9.688 9.688
404 1HE MET 52 HE1 MET 52 9.859 12.142 12.142
405 2HE MET 52 HE2 MET 52 11.316 11.741 11.741
406 3HE MET 52 HE3 MET 52 9.710 11.657 11.657
407 H PHE 53 HN PHE 53 9.371 6.234 6.234
408 HA PHE 53 HA PHE 53 11.932 5.865 5.865
409 1HB PHE 53 HB2 PHE 53 9.515 4.122 4.122
410 2HB PHE 53 HB3 PHE 53 10.897 3.272 3.272
411 HD1 PHE 53 HD2 PHE 53 13.138 4.580 4.580
412 HD2 PHE 53 HD1 PHE 53 9.337 3.380 3.380
413 HE1 PHE 53 HE2 PHE 53 14.097 4.343 4.343
414 HE2 PHE 53 HE1 PHE 53 10.296 3.143 3.143
415 HZ PHE 53 HZ PHE 53 12.664 3.627 3.627
416 H LYS 54 HN LYS 54 9.719 3.757 3.757
417 HA LYS 54 HA LYS 54 11.316 4.446 4.446
418 1HB LYS 54 HB2 LYS 54 12.154 2.334 2.334
419 2HB LYS 54 HB3 LYS 54 10.537 1.690 1.690
420 1HG LYS 54 HG2 LYS 54 11.626 0.887 0.887
421 2HG LYS 54 HG3 LYS 54 10.147 1.773 1.773
422 1HD LYS 54 HD2 LYS 54 12.419 3.610 3.610
423 2HD LYS 54 HD3 LYS 54 12.739 2.313 2.313
424 1HE LYS 54 HE2 LYS 54 10.095 3.827 3.827
425 2HE LYS 54 HE3 LYS 54 11.490 4.408 4.408
426 1HZ LYS 54 HZ1 LYS 54 11.237 1.735 1.735
427 2HZ LYS 54 HZ2 LYS 54 9.729 2.355 2.355
428 3HZ LYS 54 HZ3 LYS 54 10.938 2.999 2.999
429 H GLY 55 HN GLY 55 9.419 6.014 6.014
430 1HA GLY 55 HA1 GLY 55 7.075 4.626 4.626
431 2HA GLY 55 HA2 GLY 55 6.996 6.134 6.134
432 HA PRO 56 HA PRO 56 7.395 7.261 7.261
433 1HB PRO 56 HB2 PRO 56 5.245 8.941 8.941
434 2HB PRO 56 HB3 PRO 56 5.166 7.246 7.246
435 1HG PRO 56 HG2 PRO 56 4.142 8.581 8.581
436 2HG PRO 56 HG3 PRO 56 3.715 7.012 7.012
437 1HD PRO 56 HD2 PRO 56 5.428 7.529 7.529
438 2HD PRO 56 HD3 PRO 56 5.093 5.970 5.970
439 H GLU 57 HN GLU 57 7.061 9.748 9.748
440 HA GLU 57 HA GLU 57 8.938 11.122 11.122
441 1HB GLU 57 HB2 GLU 57 8.157 12.187 12.187
442 2HB GLU 57 HB3 GLU 57 9.715 12.227 12.227
443 1HG GLU 57 HG2 GLU 57 9.811 9.674 9.674
444 2HG GLU 57 HG3 GLU 57 8.388 9.810 9.810
445 H LYS 58 HN LYS 58 5.651 11.325 11.325
446 HA LYS 58 HA LYS 58 5.257 14.043 14.043
447 1HB LYS 58 HB2 LYS 58 4.066 12.514 12.514
448 2HB LYS 58 HB3 LYS 58 3.003 12.120 12.120
449 1HG LYS 58 HG2 LYS 58 1.897 14.066 14.066
450 2HG LYS 58 HG3 LYS 58 3.339 14.941 14.941
451 1HD LYS 58 HD2 LYS 58 2.788 13.946 13.946
452 2HD LYS 58 HD3 LYS 58 2.485 15.582 15.582
453 1HE LYS 58 HE2 LYS 58 5.087 15.329 15.329
454 2HE LYS 58 HE3 LYS 58 5.097 14.217 14.217
455 1HZ LYS 58 HZ3 LYS 58 4.047 16.049 16.049
456 2HZ LYS 58 HZ1 LYS 58 4.361 17.054 17.054
457 3HZ LYS 58 HZ2 LYS 58 5.590 16.325 16.325
458 H ASP 59 HN ASP 59 3.291 11.237 11.237
459 HA ASP 59 HA ASP 59 3.934 10.915 10.915
460 1HB ASP 59 HB2 ASP 59 4.048 13.298 13.298
461 2HB ASP 59 HB3 ASP 59 2.456 13.576 13.576
462 H ILE 60 HN ILE 60 1.951 10.298 10.298
463 HA ILE 60 HA ILE 60 -0.288 9.607 9.607
464 HB ILE 60 HB ILE 60 0.231 8.251 8.251
465 1HG1 ILE 60 HG12 ILE 60 2.412 8.435 8.435
466 2HG1 ILE 60 HG13 ILE 60 1.903 6.842 6.842
467 1HG2 ILE 60 HG21 ILE 60 -1.807 7.885 7.885
468 2HG2 ILE 60 HG22 ILE 60 -0.693 7.071 7.071
469 3HG2 ILE 60 HG23 ILE 60 -0.910 6.441 6.441
470 1HD1 ILE 60 HD13 ILE 60 1.210 7.957 7.957
471 2HD1 ILE 60 HD11 ILE 60 2.685 7.013 7.013
472 3HD1 ILE 60 HD12 ILE 60 1.085 6.269 6.269
473 H GLU 61 HN GLU 61 0.036 9.834 9.834
474 HA GLU 61 HA GLU 61 -0.993 11.074 11.074
475 1HB GLU 61 HB2 GLU 61 -1.093 12.781 12.781
476 2HB GLU 61 HB3 GLU 61 -2.598 12.946 12.946
477 1HG GLU 61 HG2 GLU 61 -0.819 12.998 12.998
478 2HG GLU 61 HG3 GLU 61 0.181 13.688 13.688
479 H PHE 62 HN PHE 62 -2.451 9.256 9.256
480 HA PHE 62 HA PHE 62 -4.844 8.977 8.977
481 1HB PHE 62 HB2 PHE 62 -4.588 10.232 10.232
482 2HB PHE 62 HB3 PHE 62 -5.671 8.858 8.858
483 HD1 PHE 62 HD1 PHE 62 -7.436 8.817 8.817
484 HD2 PHE 62 HD2 PHE 62 -5.510 12.290 12.290
485 HE1 PHE 62 HE1 PHE 62 -9.289 10.240 10.240
486 HE2 PHE 62 HE2 PHE 62 -7.363 13.712 13.712
487 HZ PHE 62 HZ PHE 62 -9.230 12.671 12.671
488 H ILE 63 HN ILE 63 -4.271 6.873 6.873
489 HA ILE 63 HA ILE 63 -3.689 5.022 5.022
490 HB ILE 63 HB ILE 63 -3.476 4.295 4.295
491 1HG1 ILE 63 HG12 ILE 63 -2.352 6.649 6.649
492 2HG1 ILE 63 HG13 ILE 63 -1.721 5.604 5.604
493 1HG2 ILE 63 HG21 ILE 63 -2.202 3.479 3.479
494 2HG2 ILE 63 HG22 ILE 63 -1.379 3.165 3.165
495 3HG2 ILE 63 HG23 ILE 63 -2.995 2.482 2.482
496 1HD1 ILE 63 HD12 ILE 63 -0.914 5.251 5.251
497 2HD1 ILE 63 HD13 ILE 63 -0.058 6.366 6.366
498 3HD1 ILE 63 HD11 ILE 63 -0.097 4.623 4.623
499 H TYR 64 HN TYR 64 -4.632 2.690 2.690
500 HA TYR 64 HA TYR 64 -7.436 3.067 3.067
501 1HB TYR 64 HB2 TYR 64 -7.603 2.705 2.705
502 2HB TYR 64 HB3 TYR 64 -6.028 1.942 1.942
503 HD1 TYR 64 HD2 TYR 64 -5.920 -0.448 -0.448
504 HD2 TYR 64 HD1 TYR 64 -9.466 1.377 1.377
505 HE1 TYR 64 HE2 TYR 64 -7.038 -2.726 -2.726
506 HE2 TYR 64 HE1 TYR 64 -10.573 -0.907 -0.907
507 HH TYR 64 HH TYR 64 -9.580 -3.489 -3.489
508 H THR 65 HN THR 65 -8.492 1.174 1.174
509 HA THR 65 HA THR 65 -7.105 -1.232 -1.232
510 HB THR 65 HB THR 65 -5.708 0.198 0.198
511 HG1 THR 65 HG1 THR 65 -6.515 -0.998 -0.998
512 1HG2 THR 65 HG23 THR 65 -8.441 0.986 0.986
513 2HG2 THR 65 HG21 THR 65 -7.033 0.955 0.955
514 3HG2 THR 65 HG22 THR 65 -7.035 2.026 2.026
515 H ALA 66 HN ALA 66 -8.315 -2.004 -2.004
516 HA ALA 66 HA ALA 66 -11.118 -1.924 -1.924
517 1HB ALA 66 HB1 ALA 66 -9.300 -4.026 -4.026
518 2HB ALA 66 HB2 ALA 66 -10.665 -3.963 -3.963
519 3HB ALA 66 HB3 ALA 66 -10.971 -4.157 -4.157
520 HA PRO 67 HA PRO 67 -12.142 0.104 0.104
521 1HB PRO 67 HB2 PRO 67 -14.742 -0.658 -0.658
522 2HB PRO 67 HB3 PRO 67 -14.257 0.595 0.595
523 1HG PRO 67 HG2 PRO 67 -15.106 -2.178 -2.178
524 2HG PRO 67 HG3 PRO 67 -15.031 -0.807 -0.807
525 1HD PRO 67 HD2 PRO 67 -13.173 -2.987 -2.987
526 2HD PRO 67 HD3 PRO 67 -13.036 -1.559 -1.559
527 H SER 68 HN SER 68 -13.907 -0.581 -0.581
528 HA SER 68 HA SER 68 -13.940 -1.663 -1.663
529 1HB SER 68 HB2 SER 68 -13.607 -3.739 -3.739
530 2HB SER 68 HB3 SER 68 -12.637 -4.175 -4.175
531 HG SER 68 HG SER 68 -15.267 -3.209 -3.209
532 H SER 69 HN SER 69 -12.065 -3.641 -3.641
533 HA SER 69 HA SER 69 -9.977 -1.807 -1.807
534 1HB SER 69 HB2 SER 69 -9.269 -3.612 -3.612
535 2HB SER 69 HB3 SER 69 -10.937 -3.115 -3.115
536 HG SER 69 HG SER 69 -10.099 -5.421 -5.421
537 H ALA 70 HN ALA 70 -10.044 -2.732 -2.732
538 HA ALA 70 HA ALA 70 -8.446 -3.170 -3.170
539 1HB ALA 70 HB2 ALA 70 -6.915 -2.871 -2.871
540 2HB ALA 70 HB3 ALA 70 -6.504 -4.524 -4.524
541 3HB ALA 70 HB1 ALA 70 -6.275 -3.157 -3.157
542 H VAL 71 HN VAL 71 -9.570 -4.705 -4.705
543 HA VAL 71 HA VAL 71 -9.447 -7.444 -7.444
544 HB VAL 71 HB VAL 71 -11.548 -7.773 -7.773
545 1HG1 VAL 71 HG11 VAL 71 -11.598 -5.625 -5.625
546 2HG1 VAL 71 HG12 VAL 71 -11.663 -4.751 -4.751
547 3HG1 VAL 71 HG13 VAL 71 -12.982 -5.858 -5.858
548 1HG2 VAL 71 HG22 VAL 71 -10.866 -6.078 -6.078
549 2HG2 VAL 71 HG23 VAL 71 -11.175 -7.829 -7.829
550 3HG2 VAL 71 HG21 VAL 71 -12.513 -6.678 -6.678
551 H CYS 72 HN CYS 72 -8.981 -5.303 -5.303
552 HA CYS 72 HA CYS 72 -7.473 -7.508 -7.508
553 1HB CYS 72 HB2 CYS 72 -8.875 -5.323 -5.323
554 2HB CYS 72 HB3 CYS 72 -8.099 -6.759 -6.759
555 H GLY 73 HN GLY 73 -6.993 -4.994 -4.994
556 1HA GLY 73 HA1 GLY 73 -4.536 -4.184 -4.184
557 2HA GLY 73 HA2 GLY 73 -5.704 -2.918 -2.918
558 H VAL 74 HN VAL 74 -4.260 -1.870 -1.870
559 HA VAL 74 HA VAL 74 -3.956 -3.361 -3.361
560 HB VAL 74 HB VAL 74 -2.239 -1.139 -1.139
561 1HG1 VAL 74 HG13 VAL 74 -2.018 -2.801 -2.801
562 2HG1 VAL 74 HG11 VAL 74 -0.694 -1.809 -1.809
563 3HG1 VAL 74 HG12 VAL 74 -2.209 -1.037 -1.037
564 1HG2 VAL 74 HG23 VAL 74 -2.221 -3.587 -3.587
565 2HG2 VAL 74 HG21 VAL 74 -0.711 -2.685 -2.685
566 3HG2 VAL 74 HG22 VAL 74 -1.231 -3.929 -3.929
567 H SER 75 HN SER 75 -5.938 -1.232 -1.232
568 HA SER 75 HA SER 75 -6.900 0.708 0.708
569 1HB SER 75 HB2 SER 75 -8.641 0.220 0.220
570 2HB SER 75 HB3 SER 75 -8.123 -1.374 -1.374
571 HG SER 75 HG SER 75 -8.418 -1.019 -1.019
572 H LEU 76 HN LEU 76 -5.041 2.137 2.137
573 HA LEU 76 HA LEU 76 -4.276 2.475 2.475
574 1HB LEU 76 HB2 LEU 76 -2.799 3.936 3.936
575 2HB LEU 76 HB3 LEU 76 -2.222 3.068 3.068
576 HG LEU 76 HG LEU 76 -3.082 1.003 1.003
577 1HD1 LEU 76 HD13 LEU 76 -3.056 3.189 3.189
578 2HD1 LEU 76 HD11 LEU 76 -1.529 2.337 2.337
579 3HD1 LEU 76 HD12 LEU 76 -3.077 1.466 1.466
580 1HD2 LEU 76 HD22 LEU 76 -0.620 2.061 2.061
581 2HD2 LEU 76 HD23 LEU 76 -1.035 0.384 0.384
582 3HD2 LEU 76 HD21 LEU 76 -0.363 1.475 1.475
583 H ASP 77 HN ASP 77 -4.533 4.460 4.460
584 HA ASP 77 HA ASP 77 -6.028 6.421 6.421
585 1HB ASP 77 HB2 ASP 77 -6.916 6.952 6.952
586 2HB ASP 77 HB3 ASP 77 -7.720 5.808 5.808
587 H VAL 78 HN VAL 78 -3.146 5.687 5.687
588 HA VAL 78 HA VAL 78 -1.410 6.888 6.888
589 HB VAL 78 HB VAL 78 -3.195 9.039 9.039
590 1HG1 VAL 78 HG12 VAL 78 -0.985 9.439 9.439
591 2HG1 VAL 78 HG13 VAL 78 -0.933 10.462 10.462
592 3HG1 VAL 78 HG11 VAL 78 -2.368 10.485 10.485
593 1HG2 VAL 78 HG23 VAL 78 -1.725 7.529 7.529
594 2HG2 VAL 78 HG21 VAL 78 -1.516 9.281 9.281
595 3HG2 VAL 78 HG22 VAL 78 -0.327 8.366 8.366
596 H GLY 79 HN GLY 79 -4.451 8.534 8.534
597 1HA GLY 79 HA1 GLY 79 -3.509 9.425 9.425
598 2HA GLY 79 HA2 GLY 79 -5.175 9.028 9.028
599 H GLY 80 HN GLY 80 -3.853 6.165 6.165
600 1HA GLY 80 HA1 GLY 80 -3.955 5.194 5.194
601 2HA GLY 80 HA2 GLY 80 -4.612 4.332 4.332
602 H LYS 81 HN LYS 81 -2.104 5.524 5.524
603 HA LYS 81 HA LYS 81 -0.192 3.561 3.561
604 1HB LYS 81 HB2 LYS 81 0.183 3.849 3.849
605 2HB LYS 81 HB3 LYS 81 -0.278 2.419 2.419
606 1HG LYS 81 HG2 LYS 81 -2.314 4.554 4.554
607 2HG LYS 81 HG3 LYS 81 -1.906 3.243 3.243
608 1HD LYS 81 HD2 LYS 81 -2.906 1.618 1.618
609 2HD LYS 81 HD3 LYS 81 -2.582 2.484 2.484
610 1HE LYS 81 HE2 LYS 81 -4.302 4.260 4.260
611 2HE LYS 81 HE3 LYS 81 -4.813 2.941 2.941
612 1HZ LYS 81 HZ1 LYS 81 -4.537 2.437 2.437
613 2HZ LYS 81 HZ2 LYS 81 -5.848 3.259 3.259
614 3HZ LYS 81 HZ3 LYS 81 -5.554 1.751 1.751
615 H LYS 82 HN LYS 82 0.163 5.752 5.752
616 HA LYS 82 HA LYS 82 1.139 7.999 7.999
617 1HB LYS 82 HB2 LYS 82 3.647 7.581 7.581
618 2HB LYS 82 HB3 LYS 82 2.647 7.055 7.055
619 1HG LYS 82 HG2 LYS 82 2.663 4.840 4.840
620 2HG LYS 82 HG3 LYS 82 4.303 5.452 5.452
621 1HD LYS 82 HD2 LYS 82 4.764 4.569 4.569
622 2HD LYS 82 HD3 LYS 82 3.484 5.516 5.516
623 1HE LYS 82 HE2 LYS 82 2.015 3.749 3.749
624 2HE LYS 82 HE3 LYS 82 2.492 3.183 3.183
625 1HZ LYS 82 HZ3 LYS 82 4.614 2.838 2.838
626 2HZ LYS 82 HZ1 LYS 82 3.270 2.172 2.172
627 3HZ LYS 82 HZ2 LYS 82 3.783 1.701 1.701
628 H GLU 83 HN GLU 83 2.740 5.398 5.398
629 HA GLU 83 HA GLU 83 1.916 6.589 6.589
630 1HB GLU 83 HB2 GLU 83 4.759 6.822 6.822
631 2HB GLU 83 HB3 GLU 83 3.550 8.082 8.082
632 1HG GLU 83 HG2 GLU 83 3.781 8.759 8.759
633 2HG GLU 83 HG3 GLU 83 4.393 7.201 7.201
634 H TYR 84 HN TYR 84 3.156 5.490 5.490
635 HA TYR 84 HA TYR 84 4.412 2.989 2.989
636 1HB TYR 84 HB2 TYR 84 2.645 1.774 1.774
637 2HB TYR 84 HB3 TYR 84 1.983 2.464 2.464
638 HD1 TYR 84 HD2 TYR 84 2.635 3.599 3.599
639 HD2 TYR 84 HD1 TYR 84 -0.074 3.498 3.498
640 HE1 TYR 84 HE2 TYR 84 0.905 4.864 4.864
641 HE2 TYR 84 HE1 TYR 84 -1.796 4.763 4.763
642 HH TYR 84 HH TYR 84 -2.167 4.918 4.918
643 H LEU 85 HN LEU 85 5.466 1.948 1.948
644 HA LEU 85 HA LEU 85 6.201 3.881 3.881
645 1HB LEU 85 HB2 LEU 85 7.826 2.128 2.128
646 2HB LEU 85 HB3 LEU 85 7.978 2.697 2.697
647 HG LEU 85 HG LEU 85 8.156 0.142 0.142
648 1HD1 LEU 85 HD12 LEU 85 7.876 1.545 1.545
649 2HD1 LEU 85 HD13 LEU 85 6.440 0.497 0.497
650 3HD1 LEU 85 HD11 LEU 85 8.059 -0.224 -0.224
651 1HD2 LEU 85 HD23 LEU 85 5.159 0.506 0.506
652 2HD2 LEU 85 HD21 LEU 85 6.052 -0.082 -0.082
653 3HD2 LEU 85 HD22 LEU 85 6.015 -1.053 -1.053
654 H ILE 86 HN ILE 86 3.548 1.996 1.996
655 HA ILE 86 HA ILE 86 2.547 0.471 0.471
656 HB ILE 86 HB ILE 86 2.017 3.299 3.299
657 1HG1 ILE 86 HG12 ILE 86 -0.252 2.592 2.592
658 2HG1 ILE 86 HG13 ILE 86 0.099 0.998 0.998
659 1HG2 ILE 86 HG22 ILE 86 1.706 1.772 1.772
660 2HG2 ILE 86 HG23 ILE 86 0.519 3.021 3.021
661 3HG2 ILE 86 HG21 ILE 86 2.238 3.448 3.448
662 1HD1 ILE 86 HD12 ILE 86 1.840 1.566 1.566
663 2HD1 ILE 86 HD13 ILE 86 0.131 1.789 1.789
664 3HD1 ILE 86 HD11 ILE 86 0.681 0.233 0.233
665 H ALA 87 HN ALA 87 3.732 -0.928 -0.928
666 HA ALA 87 HA ALA 87 4.680 0.169 0.169
667 1HB ALA 87 HB3 ALA 87 6.162 -1.295 -1.295
668 2HB ALA 87 HB1 ALA 87 6.431 -1.867 -1.867
669 3HB ALA 87 HB2 ALA 87 6.756 -0.169 -0.169
670 H GLY 88 HN GLY 88 3.096 -0.608 -0.608
671 1HA GLY 88 HA1 GLY 88 2.929 -3.490 -3.490
672 2HA GLY 88 HA2 GLY 88 1.449 -2.708 -2.708
673 H LYS 89 HN LYS 89 1.620 -4.066 -4.066
674 HA LYS 89 HA LYS 89 2.360 -2.836 -2.836
675 1HB LYS 89 HB2 LYS 89 0.565 -4.847 -4.847
676 2HB LYS 89 HB3 LYS 89 -0.431 -3.701 -3.701
677 1HG LYS 89 HG2 LYS 89 0.729 -3.983 -3.983
678 2HG LYS 89 HG3 LYS 89 2.261 -4.268 -4.268
679 1HD LYS 89 HD2 LYS 89 1.277 -6.526 -6.526
680 2HD LYS 89 HD3 LYS 89 -0.045 -6.235 -6.235
681 1HE LYS 89 HE2 LYS 89 2.527 -5.771 -5.771
682 2HE LYS 89 HE3 LYS 89 2.486 -7.370 -7.370
683 1HZ LYS 89 HZ2 LYS 89 0.258 -7.588 -7.588
684 2HZ LYS 89 HZ3 LYS 89 0.605 -6.236 -6.236
685 3HZ LYS 89 HZ1 LYS 89 1.540 -7.565 -7.565
686 H ALA 90 HN ALA 90 2.520 -0.610 -0.610
687 HA ALA 90 HA ALA 90 0.556 1.137 1.137
688 1HB ALA 90 HB3 ALA 90 3.109 1.388 1.388
689 2HB ALA 90 HB1 ALA 90 2.309 1.916 1.916
690 3HB ALA 90 HB2 ALA 90 1.985 2.767 2.767
691 H GLU 91 HN GLU 91 -0.417 2.849 2.849
692 HA GLU 91 HA GLU 91 -1.648 1.239 1.239
693 1HB GLU 91 HB2 GLU 91 -3.091 1.857 1.857
694 2HB GLU 91 HB3 GLU 91 -3.129 3.471 3.471
695 1HG GLU 91 HG2 GLU 91 -5.098 2.140 2.140
696 2HG GLU 91 HG3 GLU 91 -4.111 2.610 2.610
697 H GLY 92 HN GLY 92 0.541 3.585 3.585
698 1HA GLY 92 HA1 GLY 92 1.187 4.614 4.614
699 2HA GLY 92 HA2 GLY 92 -0.405 5.344 5.344
700 H ASP 93 HN ASP 93 -0.528 7.383 7.383
701 HA ASP 93 HA ASP 93 1.338 8.032 8.032
702 1HB ASP 93 HB2 ASP 93 1.047 9.327 9.327
703 2HB ASP 93 HB3 ASP 93 1.141 10.434 10.434
704 H GLY 94 HN GLY 94 0.394 9.451 9.451
705 1HA GLY 94 HA1 GLY 94 -1.156 10.845 10.845
706 2HA GLY 94 HA2 GLY 94 -2.062 10.859 10.859
707 H LYS 95 HN LYS 95 -1.431 7.626 7.626
708 HA LYS 95 HA LYS 95 -3.114 6.939 6.939
709 1HB LYS 95 HB2 LYS 95 -5.193 6.460 6.460
710 2HB LYS 95 HB3 LYS 95 -4.797 8.062 8.062
711 1HG LYS 95 HG2 LYS 95 -4.073 5.580 5.580
712 2HG LYS 95 HG3 LYS 95 -5.670 6.292 6.292
713 1HD LYS 95 HD2 LYS 95 -4.909 8.190 8.190
714 2HD LYS 95 HD3 LYS 95 -3.370 8.197 8.197
715 1HE LYS 95 HE2 LYS 95 -2.354 7.005 7.005
716 2HE LYS 95 HE3 LYS 95 -3.631 5.804 5.804
717 1HZ LYS 95 HZ2 LYS 95 -4.541 8.232 8.232
718 2HZ LYS 95 HZ3 LYS 95 -3.185 7.751 7.751
719 3HZ LYS 95 HZ1 LYS 95 -4.478 6.756 6.756
720 H MET 96 HN MET 96 -3.051 4.693 4.693
721 HA MET 96 HA MET 96 -1.989 3.091 3.091
722 1HB MET 96 HB2 MET 96 -0.403 2.133 2.133
723 2HB MET 96 HB3 MET 96 0.118 3.454 3.454
724 1HG MET 96 HG2 MET 96 0.085 4.946 4.946
725 2HG MET 96 HG3 MET 96 -1.510 4.434 4.434
726 1HE MET 96 HE2 MET 96 1.865 4.767 4.767
727 2HE MET 96 HE3 MET 96 1.582 4.765 4.765
728 3HE MET 96 HE1 MET 96 2.541 3.467 3.467
729 H HIS 97 HN HIS 97 -1.478 0.722 0.722
730 HA HIS 97 HA HIS 97 -4.019 0.260 0.260
731 1HB HIS 97 HB2 HIS 97 -3.105 -0.858 -0.858
732 2HB HIS 97 HB3 HIS 97 -3.228 -2.136 -2.136
733 HD1 HIS 97 HD1 HIS 97 -5.290 -3.104 -3.104
734 HD2 HIS 97 HD2 HIS 97 -5.877 0.713 0.713
735 HE1 HIS 97 HE1 HIS 97 -7.800 -2.659 -2.659
736 H ILE 98 HN ILE 98 -3.873 -0.865 -0.865
737 HA ILE 98 HA ILE 98 -1.421 -2.326 -2.326
738 HB ILE 98 HB ILE 98 -1.052 -1.188 -1.188
739 1HG1 ILE 98 HG12 ILE 98 -3.339 0.590 0.590
740 2HG1 ILE 98 HG13 ILE 98 -3.256 -0.414 -0.414
741 1HG2 ILE 98 HG22 ILE 98 -0.098 -0.444 -0.444
742 2HG2 ILE 98 HG23 ILE 98 -1.073 1.014 1.014
743 3HG2 ILE 98 HG21 ILE 98 0.191 0.535 0.535
744 1HD1 ILE 98 HD13 ILE 98 -1.084 1.636 1.636
745 2HD1 ILE 98 HD11 ILE 98 -2.700 2.205 2.205
746 3HD1 ILE 98 HD12 ILE 98 -1.825 1.039 1.039
747 H THR 99 HN THR 99 -1.717 -4.040 -4.040
748 HA THR 99 HA THR 99 -4.343 -4.251 -4.251
749 HB THR 99 HB THR 99 -4.161 -6.759 -6.759
750 HG1 THR 99 HG1 THR 99 -2.769 -6.779 -6.779
751 1HG2 THR 99 HG21 THR 99 -5.546 -4.374 -4.374
752 2HG2 THR 99 HG22 THR 99 -4.946 -5.198 -5.198
753 3HG2 THR 99 HG23 THR 99 -5.999 -6.066 -6.066
754 H LEU 100 HN LEU 100 -4.425 -6.020 -6.020
755 HA LEU 100 HA LEU 100 -2.260 -5.813 -5.813
756 1HB LEU 100 HB2 LEU 100 -3.484 -7.084 -7.084
757 2HB LEU 100 HB3 LEU 100 -4.738 -6.464 -6.464
758 HG LEU 100 HG LEU 100 -3.508 -9.140 -9.140
759 1HD1 LEU 100 HD11 LEU 100 -5.157 -8.455 -8.455
760 2HD1 LEU 100 HD12 LEU 100 -5.692 -9.871 -9.871
761 3HD1 LEU 100 HD13 LEU 100 -4.040 -9.814 -9.814
762 1HD2 LEU 100 HD23 LEU 100 -5.496 -7.591 -7.591
763 2HD2 LEU 100 HD21 LEU 100 -5.139 -9.307 -9.307
764 3HD2 LEU 100 HD22 LEU 100 -6.382 -8.857 -8.857
765 H CYS 101 HN CYS 101 -3.143 -8.343 -8.343
766 HA CYS 101 HA CYS 101 -1.116 -10.116 -10.116
767 1HB CYS 101 HB2 CYS 101 -3.228 -10.251 -10.251
768 2HB CYS 101 HB3 CYS 101 -1.986 -9.954 -9.954
769 H ASP 102 HN ASP 102 -1.267 -7.180 -7.180
770 HA ASP 102 HA ASP 102 1.206 -7.629 -7.629
771 1HB ASP 102 HB2 ASP 102 -0.833 -5.992 -5.992
772 2HB ASP 102 HB3 ASP 102 0.055 -4.868 -4.868
773 H PHE 103 HN PHE 103 3.057 -5.871 -5.871
774 HA PHE 103 HA PHE 103 3.880 -5.994 -5.994
775 1HB PHE 103 HB2 PHE 103 5.539 -6.045 -6.045
776 2HB PHE 103 HB3 PHE 103 4.792 -4.707 -4.707
777 HD1 PHE 103 HD2 PHE 103 5.236 -4.403 -4.403
778 HD2 PHE 103 HD1 PHE 103 7.010 -3.654 -3.654
779 HE1 PHE 103 HE2 PHE 103 6.856 -2.816 -2.816
780 HE2 PHE 103 HE1 PHE 103 8.630 -2.065 -2.065
781 HZ PHE 103 HZ PHE 103 8.533 -1.667 -1.667
782 H ILE 104 HN ILE 104 3.311 -4.658 -4.658
783 HA ILE 104 HA ILE 104 3.284 -1.851 -1.851
784 HB ILE 104 HB ILE 104 0.814 -1.718 -1.718
785 1HG1 ILE 104 HG12 ILE 104 0.804 -4.376 -4.376
786 2HG1 ILE 104 HG13 ILE 104 0.443 -4.123 -4.123
787 1HG2 ILE 104 HG23 ILE 104 2.101 -1.234 -1.234
788 2HG2 ILE 104 HG21 ILE 104 0.803 -2.339 -2.339
789 3HG2 ILE 104 HG22 ILE 104 0.402 -0.832 -0.832
790 1HD1 ILE 104 HD12 ILE 104 -1.400 -2.476 -2.476
791 2HD1 ILE 104 HD13 ILE 104 -1.156 -3.202 -3.202
792 3HD1 ILE 104 HD11 ILE 104 -1.691 -4.215 -4.215
793 H VAL 105 HN VAL 105 3.677 -0.860 -0.860
794 HA VAL 105 HA VAL 105 2.969 -2.212 -2.212
795 HB VAL 105 HB VAL 105 5.634 -1.761 -1.761
796 1HG1 VAL 105 HG13 VAL 105 4.109 -3.682 -3.682
797 2HG1 VAL 105 HG11 VAL 105 4.516 -4.429 -4.429
798 3HG1 VAL 105 HG12 VAL 105 5.795 -4.117 -4.117
799 1HG2 VAL 105 HG22 VAL 105 5.360 -2.930 -2.930
800 2HG2 VAL 105 HG23 VAL 105 6.216 -1.442 -1.442
801 3HG2 VAL 105 HG21 VAL 105 6.834 -3.028 -3.028
802 HA PRO 106 HA PRO 106 2.965 1.899 1.899
803 1HB PRO 106 HB2 PRO 106 3.339 1.674 1.674
804 2HB PRO 106 HB3 PRO 106 1.798 1.380 1.380
805 1HG PRO 106 HG2 PRO 106 3.724 -0.577 -0.577
806 2HG PRO 106 HG3 PRO 106 2.029 -0.803 -0.803
807 1HD PRO 106 HD2 PRO 106 4.278 -1.695 -1.695
808 2HD PRO 106 HD3 PRO 106 2.587 -1.818 -1.818
809 H TRP 107 HN TRP 107 5.674 0.380 0.380
810 HA TRP 107 HA TRP 107 7.764 1.098 1.098
811 1HB TRP 107 HB2 TRP 107 6.732 3.280 3.280
812 2HB TRP 107 HB3 TRP 107 6.836 3.765 3.765
813 HD1 TRP 107 HD1 TRP 107 9.477 2.312 2.312
814 HE1 TRP 107 HE1 TRP 107 11.730 3.678 3.678
815 HE3 TRP 107 HE3 TRP 107 7.890 5.542 5.542
816 HZ2 TRP 107 HZ2 TRP 107 12.576 5.906 5.906
817 HZ3 TRP 107 HZ3 TRP 107 9.492 7.284 7.284
818 HH2 TRP 107 HH2 TRP 107 11.764 7.496 7.496
819 H ASP 108 HN ASP 108 6.367 2.629 2.629
820 HA ASP 108 HA ASP 108 8.677 2.106 2.106
821 1HB ASP 108 HB2 ASP 108 6.868 3.852 3.852
822 2HB ASP 108 HB3 ASP 108 5.837 2.550 2.550
823 H THR 109 HN THR 109 8.258 -0.333 -0.333
824 HA THR 109 HA THR 109 7.699 -2.022 -2.022
825 HB THR 109 HB THR 109 5.958 -3.318 -3.318
826 HG1 THR 109 HG1 THR 109 5.915 -0.539 -0.539
827 1HG2 THR 109 HG23 THR 109 5.404 -1.903 -1.903
828 2HG2 THR 109 HG21 THR 109 5.059 -0.569 -0.569
829 3HG2 THR 109 HG22 THR 109 4.101 -2.066 -2.066
830 H LEU 110 HN LEU 110 7.915 -2.107 -2.107
831 HA LEU 110 HA LEU 110 8.874 -3.941 -3.941
832 1HB LEU 110 HB2 LEU 110 11.127 -2.140 -2.140
833 2HB LEU 110 HB3 LEU 110 11.125 -3.179 -3.179
834 HG LEU 110 HG LEU 110 9.241 -0.841 -0.841
835 1HD1 LEU 110 HD13 LEU 110 11.709 -0.275 -0.275
836 2HD1 LEU 110 HD11 LEU 110 11.596 -0.927 -0.927
837 3HD1 LEU 110 HD12 LEU 110 10.598 0.468 0.468
838 1HD2 LEU 110 HD23 LEU 110 9.147 -3.045 -3.045
839 2HD2 LEU 110 HD21 LEU 110 8.081 -1.623 -1.623
840 3HD2 LEU 110 HD22 LEU 110 9.542 -1.582 -1.582
841 H SER 111 HN SER 111 11.883 -3.592 -3.592
842 HA SER 111 HA SER 111 11.963 -5.003 -5.003
843 1HB SER 111 HB2 SER 111 11.040 -6.877 -6.877
844 2HB SER 111 HB3 SER 111 12.217 -7.504 -7.504
845 HG SER 111 HG SER 111 9.514 -6.891 -6.891
846 H THR 112 HN THR 112 13.032 -5.282 -5.282
847 HA THR 112 HA THR 112 15.513 -4.359 -4.359
848 HB THR 112 HB THR 112 15.317 -7.001 -7.001
849 HG1 THR 112 HG1 THR 112 16.039 -5.012 -5.012
850 1HG2 THR 112 HG21 THR 112 17.519 -6.316 -6.316
851 2HG2 THR 112 HG22 THR 112 17.795 -7.396 -7.396
852 3HG2 THR 112 HG23 THR 112 16.612 -7.842 -7.842
853 H THR 113 HN THR 113 14.411 -7.671 -7.671
854 HA THR 113 HA THR 113 15.637 -7.662 -7.662
855 HB THR 113 HB THR 113 13.018 -8.918 -8.918
856 HG1 THR 113 HG1 THR 113 14.529 -10.251 -10.251
857 1HG2 THR 113 HG22 THR 113 13.460 -8.891 -8.891
858 2HG2 THR 113 HG23 THR 113 14.823 -9.971 -9.971
859 3HG2 THR 113 HG21 THR 113 13.158 -10.462 -10.462
860 H GLN 114 HN GLN 114 12.789 -5.865 -5.865
861 HA GLN 114 HA GLN 114 11.999 -5.348 -5.348
862 1HB GLN 114 HB2 GLN 114 11.007 -4.598 -4.598
863 2HB GLN 114 HB3 GLN 114 10.522 -3.585 -3.585
864 1HG GLN 114 HG2 GLN 114 8.824 -5.140 -5.140
865 2HG GLN 114 HG3 GLN 114 10.006 -5.983 -5.983
866 1HE2 GLN 114 HE22 GLN 114 11.034 -8.214 -8.214
867 2HE2 GLN 114 HE21 GLN 114 11.728 -7.138 -7.138
868 H LYS 115 HN LYS 115 13.939 -3.824 -3.824
869 HA LYS 115 HA LYS 115 14.017 -1.267 -1.267
870 1HB LYS 115 HB2 LYS 115 15.017 -2.538 -2.538
871 2HB LYS 115 HB3 LYS 115 16.209 -1.472 -1.472
872 1HG LYS 115 HG2 LYS 115 14.904 0.433 0.433
873 2HG LYS 115 HG3 LYS 115 13.393 -0.436 -0.436
874 1HD LYS 115 HD2 LYS 115 15.192 -0.328 -0.328
875 2HD LYS 115 HD3 LYS 115 13.527 0.201 0.201
876 1HE LYS 115 HE2 LYS 115 13.013 -2.315 -2.315
877 2HE LYS 115 HE3 LYS 115 14.593 -2.641 -2.641
878 1HZ LYS 115 HZ1 LYS 115 13.727 -1.266 -1.266
879 2HZ LYS 115 HZ2 LYS 115 12.242 -1.543 -1.543
880 3HZ LYS 115 HZ3 LYS 115 13.183 -2.796 -2.796
881 H LYS 116 HN LYS 116 16.103 -4.203 -4.203
882 HA LYS 116 HA LYS 116 18.226 -3.079 -3.079
883 1HB LYS 116 HB2 LYS 116 19.051 -5.267 -5.267
884 2HB LYS 116 HB3 LYS 116 18.152 -5.247 -5.247
885 1HG LYS 116 HG2 LYS 116 17.032 -7.060 -7.060
886 2HG LYS 116 HG3 LYS 116 16.190 -5.953 -5.953
887 1HD LYS 116 HD2 LYS 116 18.889 -6.822 -6.822
888 2HD LYS 116 HD3 LYS 116 17.683 -8.091 -8.091
889 1HE LYS 116 HE2 LYS 116 16.788 -7.340 -7.340
890 2HE LYS 116 HE3 LYS 116 16.367 -5.832 -5.832
891 1HZ LYS 116 HZ2 LYS 116 18.978 -5.526 -5.526
892 2HZ LYS 116 HZ3 LYS 116 18.541 -6.402 -6.402
893 3HZ LYS 116 HZ1 LYS 116 17.801 -4.980 -4.980
894 H SER 117 HN SER 117 14.989 -3.954 -3.954
895 HA SER 117 HA SER 117 15.751 -4.216 -4.216
896 1HB SER 117 HB2 SER 117 13.668 -5.244 -5.244
897 2HB SER 117 HB3 SER 117 12.867 -4.006 -4.006
898 HG SER 117 HG SER 117 14.031 -6.441 -6.441
899 H LEU 118 HN LEU 118 14.940 -1.746 -1.746
900 HA LEU 118 HA LEU 118 13.544 -0.020 -0.020
901 1HB LEU 118 HB2 LEU 118 14.886 0.332 0.332
902 2HB LEU 118 HB3 LEU 118 14.172 1.677 1.677
903 HG LEU 118 HG LEU 118 12.707 -0.808 -0.808
904 1HD1 LEU 118 HD12 LEU 118 13.318 1.744 1.744
905 2HD1 LEU 118 HD13 LEU 118 11.575 1.386 1.386
906 3HD1 LEU 118 HD11 LEU 118 12.704 0.223 0.223
907 1HD2 LEU 118 HD23 LEU 118 11.776 1.611 1.611
908 2HD2 LEU 118 HD21 LEU 118 11.604 -0.112 -0.112
909 3HD2 LEU 118 HD22 LEU 118 10.665 0.580 0.580
910 H ASN 119 HN ASN 119 16.865 -0.968 -0.968
911 HA ASN 119 HA ASN 119 17.990 1.446 1.446
912 1HB ASN 119 HB2 ASN 119 19.771 0.298 0.298
913 2HB ASN 119 HB3 ASN 119 18.893 -1.217 -1.217
914 1HD2 ASN 119 HD22 ASN 119 20.939 -2.481 -2.481
915 2HD2 ASN 119 HD21 ASN 119 20.078 -2.665 -2.665
916 H HIS 120 HN HIS 120 17.500 -1.855 -1.855
917 HA HIS 120 HA HIS 120 18.411 -1.372 -1.372
918 1HB HIS 120 HB2 HIS 120 17.095 -3.225 -3.225
919 2HB HIS 120 HB3 HIS 120 17.627 -3.544 -3.544
920 HD1 HIS 120 HD1 HIS 120 14.551 -1.651 -1.651
921 HD2 HIS 120 HD2 HIS 120 15.562 -4.823 -4.823
922 HE1 HIS 120 HE1 HIS 120 12.361 -2.472 -2.472
923 H ARG 121 HN ARG 121 17.742 -0.299 -0.299
924 HA ARG 121 HA ARG 121 16.130 1.843 1.843
925 1HB ARG 121 HB2 ARG 121 17.462 0.398 0.398
926 2HB ARG 121 HB3 ARG 121 15.879 0.883 0.883
927 1HG ARG 121 HG2 ARG 121 18.015 2.708 2.708
928 2HG ARG 121 HG3 ARG 121 17.497 2.665 2.665
929 1HD ARG 121 HD2 ARG 121 15.078 3.105 3.105
930 2HD ARG 121 HD3 ARG 121 16.106 3.838 3.838
931 HE ARG 121 HE ARG 121 17.132 4.951 4.951
932 1HH1 ARG 121 HH21 ARG 121 13.233 5.963 5.963
933 2HH1 ARG 121 HH22 ARG 121 13.802 4.554 4.554
934 1HH2 ARG 121 HH12 ARG 121 16.382 6.812 6.812
935 2HH2 ARG 121 HH11 ARG 121 14.710 7.257 7.257
936 H TYR 122 HN TYR 122 15.274 -1.445 -1.445
937 HA TYR 122 HA TYR 122 12.704 -1.437 -1.437
938 1HB TYR 122 HB2 TYR 122 11.390 -0.688 -0.688
939 2HB TYR 122 HB3 TYR 122 12.750 0.415 0.415
940 HD1 TYR 122 HD1 TYR 122 14.825 -0.564 -0.564
941 HD2 TYR 122 HD2 TYR 122 10.723 -1.688 -1.688
942 HE1 TYR 122 HE1 TYR 122 15.290 -1.318 -1.318
943 HE2 TYR 122 HE2 TYR 122 11.201 -2.438 -2.438
944 HH TYR 122 HH TYR 122 12.856 -3.007 -3.007
945 H GLN 123 HN GLN 123 13.105 -3.600 -3.600
946 HA GLN 123 HA GLN 123 13.224 -5.743 -5.743
947 1HB GLN 123 HB2 GLN 123 11.233 -5.592 -5.592
948 2HB GLN 123 HB3 GLN 123 12.126 -4.995 -4.995
949 1HG GLN 123 HG2 GLN 123 13.371 -7.460 -7.460
950 2HG GLN 123 HG3 GLN 123 11.650 -7.757 -7.757
951 1HE2 GLN 123 HE22 GLN 123 10.990 -7.868 -7.868
952 2HE2 GLN 123 HE21 GLN 123 10.482 -8.097 -8.097
953 H MET 124 HN MET 124 15.643 -5.122 -5.122
954 HA MET 124 HA MET 124 17.181 -5.135 -5.135
955 1HB MET 124 HB2 MET 124 17.561 -5.048 -5.048
956 2HB MET 124 HB3 MET 124 18.840 -5.943 -5.943
957 1HG MET 124 HG2 MET 124 18.026 -3.301 -3.301
958 2HG MET 124 HG3 MET 124 18.949 -3.263 -3.263
959 1HE MET 124 HE1 MET 124 21.011 -3.187 -3.187
960 2HE MET 124 HE2 MET 124 22.340 -3.835 -3.835
961 3HE MET 124 HE3 MET 124 21.547 -2.310 -2.310
962 H GLY 125 HN GLY 125 15.688 -7.236 -7.236
963 1HA GLY 125 HA1 GLY 125 15.619 -9.446 -9.446
964 2HA GLY 125 HA2 GLY 125 17.365 -9.328 -9.328
965 H CYS 126 HN CYS 126 15.792 -8.491 -8.491
966 HA CYS 126 HA CYS 126 17.275 -10.338 -10.338
967 1HB CYS 126 HB2 CYS 126 16.301 -9.465 -9.465
968 2HB CYS 126 HB3 CYS 126 16.004 -8.170 -8.170
969 H GLU 127 HN GLU 127 15.511 -11.682 -11.682
970 HA GLU 127 HA GLU 127 13.417 -12.967 -12.967
971 1HB GLU 127 HB2 GLU 127 15.264 -13.907 -13.907
972 2HB GLU 127 HB3 GLU 127 15.970 -14.636 -14.636
973 1HG GLU 127 HG2 GLU 127 13.387 -15.537 -15.537
974 2HG GLU 127 HG3 GLU 127 13.505 -15.410 -15.410
Start of MODEL 8
1 H CYS 1 HN CYS 1 -7.088 -9.541 -9.541
2 HA CYS 1 HA CYS 1 -9.098 -8.483 -8.483
3 1HB CYS 1 HB2 CYS 1 -10.324 -10.791 -10.791
4 2HB CYS 1 HB3 CYS 1 -11.247 -9.912 -9.912
5 H SER 2 HN SER 2 -7.746 -11.690 -11.690
6 HA SER 2 HA SER 2 -8.021 -11.586 -11.586
7 1HB SER 2 HB2 SER 2 -9.084 -14.189 -14.189
8 2HB SER 2 HB3 SER 2 -9.794 -12.938 -12.938
9 HG SER 2 HG SER 2 -10.334 -13.626 -13.626
10 H CYS 3 HN CYS 3 -6.012 -11.764 -11.764
11 HA CYS 3 HA CYS 3 -4.961 -14.428 -14.428
12 1HB CYS 3 HB2 CYS 3 -4.489 -13.691 -13.691
13 2HB CYS 3 HB3 CYS 3 -4.405 -12.008 -12.008
14 H SER 4 HN SER 4 -2.636 -14.751 -14.751
15 HA SER 4 HA SER 4 -2.312 -13.297 -13.297
16 1HB SER 4 HB2 SER 4 -0.923 -15.066 -15.066
17 2HB SER 4 HB3 SER 4 -2.093 -15.870 -15.870
18 HG SER 4 HG SER 4 -0.487 -15.620 -15.620
19 HA PRO 5 HA PRO 5 0.678 -10.776 -10.776
20 1HB PRO 5 HB2 PRO 5 0.969 -8.923 -8.923
21 2HB PRO 5 HB3 PRO 5 -0.278 -8.825 -8.825
22 1HG PRO 5 HG2 PRO 5 -0.529 -9.610 -9.610
23 2HG PRO 5 HG3 PRO 5 -1.783 -9.100 -9.100
24 1HD PRO 5 HD2 PRO 5 -1.232 -11.783 -11.783
25 2HD PRO 5 HD3 PRO 5 -2.409 -11.285 -11.285
26 H VAL 6 HN VAL 6 2.496 -11.953 -11.953
27 HA VAL 6 HA VAL 6 4.217 -11.995 -11.995
28 HB VAL 6 HB VAL 6 3.184 -14.201 -14.201
29 1HG1 VAL 6 HG11 VAL 6 3.952 -13.544 -13.544
30 2HG1 VAL 6 HG12 VAL 6 4.769 -15.048 -15.048
31 3HG1 VAL 6 HG13 VAL 6 2.996 -14.925 -14.925
32 1HG2 VAL 6 HG23 VAL 6 6.059 -13.610 -13.610
33 2HG2 VAL 6 HG21 VAL 6 5.053 -14.729 -14.729
34 3HG2 VAL 6 HG22 VAL 6 5.697 -15.236 -15.236
35 H HIS 7 HN HIS 7 5.942 -13.544 -13.544
36 HA HIS 7 HA HIS 7 7.789 -12.887 -12.887
37 1HB HIS 7 HB2 HIS 7 7.093 -11.203 -11.203
38 2HB HIS 7 HB3 HIS 7 6.700 -12.911 -12.911
39 HD1 HIS 7 HD1 HIS 7 4.293 -13.449 -13.449
40 HD2 HIS 7 HD2 HIS 7 4.809 -9.598 -9.598
41 HE1 HIS 7 HE1 HIS 7 1.977 -12.378 -12.378
42 HA PRO 8 HA PRO 8 8.545 -9.094 -9.094
43 1HB PRO 8 HB2 PRO 8 10.797 -9.936 -9.936
44 2HB PRO 8 HB3 PRO 8 9.189 -10.067 -10.067
45 1HG PRO 8 HG2 PRO 8 10.890 -12.191 -12.191
46 2HG PRO 8 HG3 PRO 8 9.499 -12.351 -12.351
47 1HD PRO 8 HD2 PRO 8 9.572 -12.817 -12.817
48 2HD PRO 8 HD3 PRO 8 8.157 -12.864 -12.864
49 H GLN 9 HN GLN 9 9.767 -10.585 -10.585
50 HA GLN 9 HA GLN 9 11.545 -8.335 -8.335
51 1HB GLN 9 HB2 GLN 9 13.026 -10.156 -10.156
52 2HB GLN 9 HB3 GLN 9 12.294 -11.257 -11.257
53 1HG GLN 9 HG2 GLN 9 13.752 -10.570 -10.570
54 2HG GLN 9 HG3 GLN 9 13.100 -8.946 -8.946
55 1HE2 GLN 9 HE22 GLN 9 15.479 -7.978 -7.978
56 2HE2 GLN 9 HE21 GLN 9 13.763 -8.053 -8.053
57 H GLN 10 HN GLN 10 9.809 -11.202 -11.202
58 HA GLN 10 HA GLN 10 10.044 -10.426 -10.426
59 1HB GLN 10 HB2 GLN 10 7.673 -11.987 -11.987
60 2HB GLN 10 HB3 GLN 10 8.515 -12.179 -12.179
61 1HG GLN 10 HG2 GLN 10 10.603 -12.745 -12.745
62 2HG GLN 10 HG3 GLN 10 9.373 -13.071 -13.071
63 1HE2 GLN 10 HE22 GLN 10 9.457 -16.356 -16.356
64 2HE2 GLN 10 HE21 GLN 10 9.934 -15.248 -15.248
65 H ALA 11 HN ALA 11 8.486 -8.849 -8.849
66 HA ALA 11 HA ALA 11 6.171 -7.990 -7.990
67 1HB ALA 11 HB3 ALA 11 7.182 -7.902 -7.902
68 2HB ALA 11 HB1 ALA 11 6.461 -6.358 -6.358
69 3HB ALA 11 HB2 ALA 11 5.507 -7.858 -7.858
70 H PHE 12 HN PHE 12 9.432 -6.799 -6.799
71 HA PHE 12 HA PHE 12 8.892 -4.231 -4.231
72 1HB PHE 12 HB2 PHE 12 11.343 -5.635 -5.635
73 2HB PHE 12 HB3 PHE 12 11.388 -3.976 -3.976
74 HD1 PHE 12 HD1 PHE 12 8.837 -5.839 -5.839
75 HD2 PHE 12 HD2 PHE 12 11.573 -2.599 -2.599
76 HE1 PHE 12 HE1 PHE 12 8.034 -5.055 -5.055
77 HE2 PHE 12 HE2 PHE 12 10.771 -1.816 -1.816
78 HZ PHE 12 HZ PHE 12 9.011 -3.054 -3.054
79 H CYS 13 HN CYS 13 9.437 -7.244 -7.244
80 HA CYS 13 HA CYS 13 11.184 -6.200 -6.200
81 1HB CYS 13 HB2 CYS 13 10.864 -8.886 -8.886
82 2HB CYS 13 HB3 CYS 13 11.174 -8.839 -8.839
83 H ASN 14 HN ASN 14 7.971 -7.031 -7.031
84 HA ASN 14 HA ASN 14 7.230 -7.706 -7.706
85 1HB ASN 14 HB2 ASN 14 6.245 -8.398 -8.398
86 2HB ASN 14 HB3 ASN 14 4.975 -7.469 -7.469
87 1HD2 ASN 14 HD22 ASN 14 5.801 -11.293 -11.293
88 2HD2 ASN 14 HD21 ASN 14 6.578 -10.441 -10.441
89 H ALA 15 HN ALA 15 6.833 -5.250 -5.250
90 HA ALA 15 HA ALA 15 4.820 -3.719 -3.719
91 1HB ALA 15 HB1 ALA 15 7.222 -2.961 -2.961
92 2HB ALA 15 HB2 ALA 15 5.832 -1.893 -1.893
93 3HB ALA 15 HB3 ALA 15 5.600 -3.421 -3.421
94 H ASP 16 HN ASP 16 5.269 -1.328 -1.328
95 HA ASP 16 HA ASP 16 7.582 -1.209 -1.209
96 1HB ASP 16 HB2 ASP 16 4.776 -1.596 -1.596
97 2HB ASP 16 HB3 ASP 16 5.713 -0.379 -0.379
98 H VAL 17 HN VAL 17 5.962 0.124 0.124
99 HA VAL 17 HA VAL 17 6.600 2.793 2.793
100 HB VAL 17 HB VAL 17 4.508 2.549 2.549
101 1HG1 VAL 17 HG11 VAL 17 3.563 0.844 0.844
102 2HG1 VAL 17 HG12 VAL 17 3.014 2.277 2.277
103 3HG1 VAL 17 HG13 VAL 17 2.441 1.997 1.997
104 1HG2 VAL 17 HG23 VAL 17 5.278 4.670 4.670
105 2HG2 VAL 17 HG21 VAL 17 3.691 4.631 4.631
106 3HG2 VAL 17 HG22 VAL 17 3.809 4.329 4.329
107 H VAL 18 HN VAL 18 7.887 2.417 2.417
108 HA VAL 18 HA VAL 18 6.358 2.008 2.008
109 HB VAL 18 HB VAL 18 9.290 2.287 2.287
110 1HG1 VAL 18 HG13 VAL 18 7.146 0.983 0.983
111 2HG1 VAL 18 HG11 VAL 18 8.409 -0.199 -0.199
112 3HG1 VAL 18 HG12 VAL 18 8.831 1.266 1.266
113 1HG2 VAL 18 HG22 VAL 18 7.967 0.352 0.352
114 2HG2 VAL 18 HG23 VAL 18 9.572 1.117 1.117
115 3HG2 VAL 18 HG21 VAL 18 9.303 -0.255 -0.255
116 H ILE 19 HN ILE 19 5.727 3.724 3.724
117 HA ILE 19 HA ILE 19 7.453 6.055 6.055
118 HB ILE 19 HB ILE 19 5.713 7.602 7.602
119 1HG1 ILE 19 HG12 ILE 19 3.971 5.180 5.180
120 2HG1 ILE 19 HG13 ILE 19 3.676 6.801 6.801
121 1HG2 ILE 19 HG21 ILE 19 7.131 6.483 6.483
122 2HG2 ILE 19 HG22 ILE 19 5.680 5.531 5.531
123 3HG2 ILE 19 HG23 ILE 19 5.644 7.305 7.305
124 1HD1 ILE 19 HD12 ILE 19 3.705 7.503 7.503
125 2HD1 ILE 19 HD13 ILE 19 3.451 5.766 5.766
126 3HD1 ILE 19 HD11 ILE 19 2.264 6.686 6.686
127 H ARG 20 HN ARG 20 7.686 6.703 6.703
128 HA ARG 20 HA ARG 20 6.131 5.388 5.388
129 1HB ARG 20 HB2 ARG 20 8.200 7.631 7.631
130 2HB ARG 20 HB3 ARG 20 7.537 6.749 6.749
131 1HG ARG 20 HG2 ARG 20 8.628 4.737 4.737
132 2HG ARG 20 HG3 ARG 20 8.781 5.190 5.190
133 1HD ARG 20 HD2 ARG 20 10.920 5.281 5.281
134 2HD ARG 20 HD3 ARG 20 10.633 6.604 6.604
135 HE ARG 20 HE ARG 20 9.325 7.348 7.348
136 1HH1 ARG 20 HH22 ARG 20 12.619 6.547 6.547
137 2HH1 ARG 20 HH21 ARG 20 13.346 7.554 7.554
138 1HH2 ARG 20 HH12 ARG 20 10.283 8.676 8.676
139 2HH2 ARG 20 HH11 ARG 20 12.008 8.772 8.772
140 H THR 21 HN THR 21 4.426 6.923 6.923
141 HA THR 21 HA THR 21 3.914 9.507 9.507
142 HB THR 21 HB THR 21 3.160 8.777 8.777
143 HG1 THR 21 HG1 THR 21 1.299 9.913 9.913
144 1HG2 THR 21 HG21 THR 21 2.726 6.308 6.308
145 2HG2 THR 21 HG22 THR 21 1.125 6.945 6.945
146 3HG2 THR 21 HG23 THR 21 1.652 6.982 6.982
147 H LYS 22 HN LYS 22 1.543 9.996 9.996
148 HA LYS 22 HA LYS 22 1.055 8.141 8.141
149 1HB LYS 22 HB2 LYS 22 0.781 10.015 10.015
150 2HB LYS 22 HB3 LYS 22 2.394 10.007 10.007
151 1HG LYS 22 HG2 LYS 22 1.791 11.769 11.769
152 2HG LYS 22 HG3 LYS 22 0.108 11.694 11.694
153 1HD LYS 22 HD2 LYS 22 2.473 12.777 12.777
154 2HD LYS 22 HD3 LYS 22 0.952 13.566 13.566
155 1HE LYS 22 HE2 LYS 22 -0.185 11.783 11.783
156 2HE LYS 22 HE3 LYS 22 1.422 11.297 11.297
157 1HZ LYS 22 HZ3 LYS 22 0.913 14.117 14.117
158 2HZ LYS 22 HZ1 LYS 22 0.026 13.212 13.212
159 3HZ LYS 22 HZ2 LYS 22 1.657 13.136 13.136
160 H ALA 23 HN ALA 23 -0.996 7.404 7.404
161 HA ALA 23 HA ALA 23 -2.906 8.860 8.860
162 1HB ALA 23 HB2 ALA 23 -2.970 6.101 6.101
163 2HB ALA 23 HB3 ALA 23 -4.230 6.766 6.766
164 3HB ALA 23 HB1 ALA 23 -2.596 6.462 6.462
165 H VAL 24 HN VAL 24 -3.826 10.542 10.542
166 HA VAL 24 HA VAL 24 -4.663 9.986 9.986
167 HB VAL 24 HB VAL 24 -4.936 12.562 12.562
168 1HG1 VAL 24 HG12 VAL 24 -3.212 11.217 11.217
169 2HG1 VAL 24 HG13 VAL 24 -2.122 11.440 11.440
170 3HG1 VAL 24 HG11 VAL 24 -2.690 12.853 12.853
171 1HG2 VAL 24 HG21 VAL 24 -4.608 12.625 12.625
172 2HG2 VAL 24 HG22 VAL 24 -3.660 13.790 13.790
173 3HG2 VAL 24 HG23 VAL 24 -2.883 12.322 12.322
174 H SER 25 HN SER 25 -5.714 11.032 11.032
175 HA SER 25 HA SER 25 -8.448 10.916 10.916
176 1HB SER 25 HB2 SER 25 -8.309 13.069 13.069
177 2HB SER 25 HB3 SER 25 -7.090 12.641 12.641
178 HG SER 25 HG SER 25 -9.073 13.054 13.054
179 H GLU 26 HN GLU 26 -10.075 10.173 10.173
180 HA GLU 26 HA GLU 26 -8.886 8.427 8.427
181 1HB GLU 26 HB2 GLU 26 -10.470 7.414 7.414
182 2HB GLU 26 HB3 GLU 26 -10.486 6.531 6.531
183 1HG GLU 26 HG2 GLU 26 -8.560 5.542 5.542
184 2HG GLU 26 HG3 GLU 26 -7.765 7.070 7.070
185 H LYS 27 HN LYS 27 -11.079 7.053 7.053
186 HA LYS 27 HA LYS 27 -13.341 8.837 8.837
187 1HB LYS 27 HB2 LYS 27 -11.819 9.834 9.834
188 2HB LYS 27 HB3 LYS 27 -11.703 8.297 8.297
189 1HG LYS 27 HG2 LYS 27 -13.876 8.419 8.419
190 2HG LYS 27 HG3 LYS 27 -14.472 9.348 9.348
191 1HD LYS 27 HD2 LYS 27 -14.225 10.579 10.579
192 2HD LYS 27 HD3 LYS 27 -13.622 11.394 11.394
193 1HE LYS 27 HE2 LYS 27 -11.327 10.795 10.795
194 2HE LYS 27 HE3 LYS 27 -11.823 9.650 9.650
195 1HZ LYS 27 HZ2 LYS 27 -12.879 11.693 11.693
196 2HZ LYS 27 HZ3 LYS 27 -11.887 12.561 12.561
197 3HZ LYS 27 HZ1 LYS 27 -11.261 11.507 11.507
198 H GLU 28 HN GLU 28 -14.973 7.449 7.449
199 HA GLU 28 HA GLU 28 -14.650 4.699 4.699
200 1HB GLU 28 HB2 GLU 28 -15.857 5.360 5.360
201 2HB GLU 28 HB3 GLU 28 -16.986 6.328 6.328
202 1HG GLU 28 HG2 GLU 28 -17.227 3.846 3.846
203 2HG GLU 28 HG3 GLU 28 -16.933 3.391 3.391
204 H VAL 29 HN VAL 29 -14.456 4.466 4.466
205 HA VAL 29 HA VAL 29 -16.685 5.480 5.480
206 HB VAL 29 HB VAL 29 -15.210 4.794 4.794
207 1HG1 VAL 29 HG11 VAL 29 -15.152 7.063 7.063
208 2HG1 VAL 29 HG12 VAL 29 -13.435 6.614 6.614
209 3HG1 VAL 29 HG13 VAL 29 -14.398 6.885 6.885
210 1HG2 VAL 29 HG21 VAL 29 -13.887 3.238 3.238
211 2HG2 VAL 29 HG22 VAL 29 -13.163 3.843 3.843
212 3HG2 VAL 29 HG23 VAL 29 -12.841 4.679 4.679
213 H ASP 30 HN ASP 30 -18.231 3.938 3.938
214 HA ASP 30 HA ASP 30 -17.984 1.302 1.302
215 1HB ASP 30 HB2 ASP 30 -20.421 2.518 2.518
216 2HB ASP 30 HB3 ASP 30 -20.379 1.151 1.151
217 H SER 31 HN SER 31 -18.160 -0.543 -0.543
218 HA SER 31 HA SER 31 -18.227 0.147 0.147
219 1HB SER 31 HB2 SER 31 -15.974 -0.377 -0.377
220 2HB SER 31 HB3 SER 31 -16.203 -1.433 -1.433
221 HG SER 31 HG SER 31 -16.629 -1.998 -1.998
222 H GLY 32 HN GLY 32 -20.382 -0.729 -0.729
223 1HA GLY 32 HA1 GLY 32 -22.092 -2.186 -2.186
224 2HA GLY 32 HA2 GLY 32 -21.601 -2.686 -2.686
225 H ASN 33 HN ASN 33 -22.459 -4.831 -4.831
226 HA ASN 33 HA ASN 33 -20.733 -6.064 -6.064
227 1HB ASN 33 HB2 ASN 33 -22.763 -7.565 -7.565
228 2HB ASN 33 HB3 ASN 33 -22.299 -7.866 -7.866
229 1HD2 ASN 33 HD22 ASN 33 -24.344 -5.356 -5.356
230 2HD2 ASN 33 HD21 ASN 33 -22.864 -6.244 -6.244
231 H ASP 34 HN ASP 34 -19.795 -8.347 -8.347
232 HA ASP 34 HA ASP 34 -18.490 -8.065 -8.065
233 1HB ASP 34 HB2 ASP 34 -17.460 -8.701 -8.701
234 2HB ASP 34 HB3 ASP 34 -17.944 -10.321 -10.321
235 H ILE 35 HN ILE 35 -17.871 -10.916 -10.916
236 HA ILE 35 HA ILE 35 -20.366 -11.758 -11.758
237 HB ILE 35 HB ILE 35 -17.619 -13.014 -13.014
238 1HG1 ILE 35 HG12 ILE 35 -17.652 -12.188 -12.188
239 2HG1 ILE 35 HG13 ILE 35 -19.023 -11.192 -11.192
240 1HG2 ILE 35 HG22 ILE 35 -20.227 -13.938 -13.938
241 2HG2 ILE 35 HG23 ILE 35 -18.897 -14.005 -14.005
242 3HG2 ILE 35 HG21 ILE 35 -18.747 -14.848 -14.848
243 1HD1 ILE 35 HD12 ILE 35 -16.539 -11.100 -11.100
244 2HD1 ILE 35 HD13 ILE 35 -16.566 -10.218 -10.218
245 3HD1 ILE 35 HD11 ILE 35 -17.759 -9.836 -9.836
246 H TYR 36 HN TYR 36 -19.265 -11.763 -11.763
247 HA TYR 36 HA TYR 36 -20.306 -14.455 -14.455
248 1HB TYR 36 HB2 TYR 36 -17.926 -13.301 -13.301
249 2HB TYR 36 HB3 TYR 36 -18.901 -12.602 -12.602
250 HD1 TYR 36 HD1 TYR 36 -18.831 -16.025 -16.025
251 HD2 TYR 36 HD2 TYR 36 -18.450 -13.678 -13.678
252 HE1 TYR 36 HE1 TYR 36 -18.554 -18.144 -18.144
253 HE2 TYR 36 HE2 TYR 36 -18.174 -15.806 -15.806
254 HH TYR 36 HH TYR 36 -18.609 -18.062 -18.062
255 H GLY 37 HN GLY 37 -21.320 -11.279 -11.279
256 1HA GLY 37 HA1 GLY 37 -23.385 -10.505 -10.505
257 2HA GLY 37 HA2 GLY 37 -23.525 -11.796 -11.796
258 H ASN 38 HN ASN 38 -20.457 -10.832 -10.832
259 HA ASN 38 HA ASN 38 -21.259 -9.339 -9.339
260 1HB ASN 38 HB2 ASN 38 -18.669 -9.154 -9.154
261 2HB ASN 38 HB3 ASN 38 -19.368 -10.759 -10.759
262 1HD2 ASN 38 HD21 ASN 38 -16.776 -10.586 -10.586
263 2HD2 ASN 38 HD22 ASN 38 -16.409 -10.946 -10.946
264 HA PRO 39 HA PRO 39 -20.539 -5.370 -5.370
265 1HB PRO 39 HB2 PRO 39 -19.908 -3.887 -3.887
266 2HB PRO 39 HB3 PRO 39 -21.553 -4.311 -4.311
267 1HG PRO 39 HG2 PRO 39 -19.846 -5.438 -5.438
268 2HG PRO 39 HG3 PRO 39 -21.588 -5.532 -5.532
269 1HD PRO 39 HD2 PRO 39 -19.691 -7.610 -7.610
270 2HD PRO 39 HD3 PRO 39 -21.419 -7.663 -7.663
271 H ILE 40 HN ILE 40 -19.033 -4.490 -4.490
272 HA ILE 40 HA ILE 40 -16.353 -5.329 -5.329
273 HB ILE 40 HB ILE 40 -17.582 -3.470 -3.470
274 1HG1 ILE 40 HG12 ILE 40 -16.826 -6.399 -6.399
275 2HG1 ILE 40 HG13 ILE 40 -18.419 -5.698 -5.698
276 1HG2 ILE 40 HG23 ILE 40 -14.769 -4.587 -4.587
277 2HG2 ILE 40 HG21 ILE 40 -15.470 -3.729 -3.729
278 3HG2 ILE 40 HG22 ILE 40 -15.250 -2.880 -2.880
279 1HD1 ILE 40 HD12 ILE 40 -17.412 -4.423 -4.423
280 2HD1 ILE 40 HD13 ILE 40 -16.053 -5.567 -5.567
281 3HD1 ILE 40 HD11 ILE 40 -17.699 -6.170 -6.170
282 H LYS 41 HN LYS 41 -16.976 -1.969 -1.969
283 HA LYS 41 HA LYS 41 -16.484 -0.031 -0.031
284 1HB LYS 41 HB2 LYS 41 -17.788 -0.937 -0.937
285 2HB LYS 41 HB3 LYS 41 -16.277 -1.473 -1.473
286 1HG LYS 41 HG2 LYS 41 -15.415 0.875 0.875
287 2HG LYS 41 HG3 LYS 41 -16.921 1.415 1.415
288 1HD LYS 41 HD2 LYS 41 -17.112 -0.163 -0.163
289 2HD LYS 41 HD3 LYS 41 -16.480 1.467 1.467
290 1HE LYS 41 HE2 LYS 41 -18.534 2.258 2.258
291 2HE LYS 41 HE3 LYS 41 -19.179 0.636 0.636
292 1HZ LYS 41 HZ3 LYS 41 -18.264 1.989 1.989
293 2HZ LYS 41 HZ1 LYS 41 -19.697 2.433 2.433
294 3HZ LYS 41 HZ2 LYS 41 -19.456 0.887 0.887
295 H ARG 42 HN ARG 42 -14.593 0.991 0.991
296 HA ARG 42 HA ARG 42 -12.202 -0.393 -0.393
297 1HB ARG 42 HB2 ARG 42 -11.363 1.055 1.055
298 2HB ARG 42 HB3 ARG 42 -11.669 -0.671 -0.671
299 1HG ARG 42 HG2 ARG 42 -14.117 -0.157 -0.157
300 2HG ARG 42 HG3 ARG 42 -13.654 1.517 1.517
301 1HD ARG 42 HD2 ARG 42 -11.891 0.649 0.649
302 2HD ARG 42 HD3 ARG 42 -12.708 -0.899 -0.899
303 HE ARG 42 HE ARG 42 -14.480 -0.019 -0.019
304 1HH1 ARG 42 HH22 ARG 42 -12.519 2.623 2.623
305 2HH1 ARG 42 HH21 ARG 42 -13.346 3.839 3.839
306 1HH2 ARG 42 HH12 ARG 42 -15.571 1.585 1.585
307 2HH2 ARG 42 HH11 ARG 42 -15.094 3.244 3.244
308 H ILE 43 HN ILE 43 -12.580 1.151 1.151
309 HA ILE 43 HA ILE 43 -12.718 3.849 3.849
310 HB ILE 43 HB ILE 43 -11.857 1.850 1.850
311 1HG1 ILE 43 HG12 ILE 43 -12.988 3.543 3.543
312 2HG1 ILE 43 HG13 ILE 43 -13.330 4.489 4.489
313 1HG2 ILE 43 HG21 ILE 43 -10.504 4.556 4.556
314 2HG2 ILE 43 HG22 ILE 43 -10.662 3.485 3.485
315 3HG2 ILE 43 HG23 ILE 43 -9.742 2.948 2.948
316 1HD1 ILE 43 HD12 ILE 43 -14.018 1.651 1.651
317 2HD1 ILE 43 HD13 ILE 43 -14.889 2.387 2.387
318 3HD1 ILE 43 HD11 ILE 43 -15.017 3.102 3.102
319 H GLN 44 HN GLN 44 -11.281 5.604 5.604
320 HA GLN 44 HA GLN 44 -8.967 4.936 4.936
321 1HB GLN 44 HB2 GLN 44 -10.298 7.576 7.576
322 2HB GLN 44 HB3 GLN 44 -8.820 7.490 7.490
323 1HG GLN 44 HG2 GLN 44 -11.587 6.497 6.497
324 2HG GLN 44 HG3 GLN 44 -10.541 7.581 7.581
325 1HE2 GLN 44 HE22 GLN 44 -10.114 3.482 3.482
326 2HE2 GLN 44 HE21 GLN 44 -11.060 4.268 4.268
327 H TYR 45 HN TYR 45 -7.049 6.770 6.770
328 HA TYR 45 HA TYR 45 -6.575 6.694 6.694
329 1HB TYR 45 HB2 TYR 45 -5.119 5.422 5.422
330 2HB TYR 45 HB3 TYR 45 -4.090 6.192 6.192
331 HD1 TYR 45 HD2 TYR 45 -5.932 5.539 5.539
332 HD2 TYR 45 HD1 TYR 45 -4.379 3.172 3.172
333 HE1 TYR 45 HE2 TYR 45 -6.070 3.460 3.460
334 HE2 TYR 45 HE1 TYR 45 -4.521 1.102 1.102
335 HH TYR 45 HH TYR 45 -4.573 1.041 1.041
336 H GLU 46 HN GLU 46 -7.345 9.020 9.020
337 HA GLU 46 HA GLU 46 -5.689 10.625 10.625
338 1HB GLU 46 HB2 GLU 46 -8.118 10.972 10.972
339 2HB GLU 46 HB3 GLU 46 -7.202 11.773 11.773
340 1HG GLU 46 HG2 GLU 46 -6.216 13.333 13.333
341 2HG GLU 46 HG3 GLU 46 -6.886 12.445 12.445
342 H ILE 47 HN ILE 47 -3.566 9.687 9.687
343 HA ILE 47 HA ILE 47 -2.748 10.319 10.319
344 HB ILE 47 HB ILE 47 -0.528 9.677 9.677
345 1HG1 ILE 47 HG12 ILE 47 -1.847 9.859 9.859
346 2HG1 ILE 47 HG13 ILE 47 -0.323 10.539 10.539
347 1HG2 ILE 47 HG23 ILE 47 -2.858 8.081 8.081
348 2HG2 ILE 47 HG21 ILE 47 -1.897 7.492 7.492
349 3HG2 ILE 47 HG22 ILE 47 -1.166 7.585 7.585
350 1HD1 ILE 47 HD12 ILE 47 -0.102 7.722 7.722
351 2HD1 ILE 47 HD13 ILE 47 -0.826 7.956 7.956
352 3HD1 ILE 47 HD11 ILE 47 0.735 8.716 8.716
353 H LYS 48 HN LYS 48 -0.390 11.616 11.616
354 HA LYS 48 HA LYS 48 -1.024 14.202 14.202
355 1HB LYS 48 HB2 LYS 48 -1.262 13.833 13.833
356 2HB LYS 48 HB3 LYS 48 0.477 14.043 14.043
357 1HG LYS 48 HG2 LYS 48 0.298 16.234 16.234
358 2HG LYS 48 HG3 LYS 48 -1.397 16.000 16.000
359 1HD LYS 48 HD2 LYS 48 -0.705 17.429 17.429
360 2HD LYS 48 HD3 LYS 48 -2.095 16.363 16.363
361 1HE LYS 48 HE2 LYS 48 -0.828 14.639 14.639
362 2HE LYS 48 HE3 LYS 48 0.695 15.438 15.438
363 1HZ LYS 48 HZ2 LYS 48 -1.059 17.176 17.176
364 2HZ LYS 48 HZ3 LYS 48 -0.886 15.792 15.792
365 3HZ LYS 48 HZ1 LYS 48 0.429 16.673 16.673
366 H GLN 49 HN GLN 49 0.963 11.521 11.521
367 HA GLN 49 HA GLN 49 2.933 11.095 11.095
368 1HB GLN 49 HB2 GLN 49 2.404 13.764 13.764
369 2HB GLN 49 HB3 GLN 49 3.920 12.928 12.928
370 1HG GLN 49 HG2 GLN 49 1.246 11.513 11.513
371 2HG GLN 49 HG3 GLN 49 1.951 12.452 12.452
372 1HE2 GLN 49 HE22 GLN 49 4.875 10.334 10.334
373 2HE2 GLN 49 HE21 GLN 49 4.428 12.004 12.004
374 H ILE 50 HN ILE 50 4.853 10.969 10.969
375 HA ILE 50 HA ILE 50 5.878 13.451 13.451
376 HB ILE 50 HB ILE 50 5.729 12.722 12.722
377 1HG1 ILE 50 HG12 ILE 50 6.978 10.207 10.207
378 2HG1 ILE 50 HG13 ILE 50 7.665 11.413 11.413
379 1HG2 ILE 50 HG22 ILE 50 3.555 11.854 11.854
380 2HG2 ILE 50 HG23 ILE 50 4.260 10.241 10.241
381 3HG2 ILE 50 HG21 ILE 50 3.959 11.325 11.325
382 1HD1 ILE 50 HD12 ILE 50 5.357 9.560 9.560
383 2HD1 ILE 50 HD13 ILE 50 7.058 9.305 9.305
384 3HD1 ILE 50 HD11 ILE 50 6.171 10.715 10.715
385 H LYS 51 HN LYS 51 6.405 10.146 10.146
386 HA LYS 51 HA LYS 51 9.000 11.011 11.011
387 1HB LYS 51 HB2 LYS 51 8.781 9.520 9.520
388 2HB LYS 51 HB3 LYS 51 9.373 8.415 8.415
389 1HG LYS 51 HG2 LYS 51 10.832 10.744 10.744
390 2HG LYS 51 HG3 LYS 51 10.712 10.752 10.752
391 1HD LYS 51 HD2 LYS 51 11.897 8.739 8.739
392 2HD LYS 51 HD3 LYS 51 11.439 8.152 8.152
393 1HE LYS 51 HE2 LYS 51 13.029 9.556 9.556
394 2HE LYS 51 HE3 LYS 51 13.228 10.594 10.594
395 1HZ LYS 51 HZ3 LYS 51 13.856 7.976 7.976
396 2HZ LYS 51 HZ1 LYS 51 14.684 8.348 8.348
397 3HZ LYS 51 HZ2 LYS 51 14.835 9.284 9.284
398 H MET 52 HN MET 52 9.844 9.578 9.578
399 HA MET 52 HA MET 52 7.819 7.727 7.727
400 1HB MET 52 HB2 MET 52 8.193 8.603 8.603
401 2HB MET 52 HB3 MET 52 7.658 9.898 9.898
402 1HG MET 52 HG2 MET 52 10.481 9.893 9.893
403 2HG MET 52 HG3 MET 52 10.198 9.619 9.619
404 1HE MET 52 HE1 MET 52 10.379 11.306 11.306
405 2HE MET 52 HE2 MET 52 10.025 13.035 13.035
406 3HE MET 52 HE3 MET 52 11.410 12.294 12.294
407 H PHE 53 HN PHE 53 9.387 6.208 6.208
408 HA PHE 53 HA PHE 53 11.975 5.849 5.849
409 1HB PHE 53 HB2 PHE 53 9.542 4.141 4.141
410 2HB PHE 53 HB3 PHE 53 10.885 3.272 3.272
411 HD1 PHE 53 HD2 PHE 53 13.194 4.458 4.458
412 HD2 PHE 53 HD1 PHE 53 9.383 3.336 3.336
413 HE1 PHE 53 HE2 PHE 53 14.188 4.115 4.115
414 HE2 PHE 53 HE1 PHE 53 10.377 2.993 2.993
415 HZ PHE 53 HZ PHE 53 12.767 3.387 3.387
416 H LYS 54 HN LYS 54 9.661 3.979 3.979
417 HA LYS 54 HA LYS 54 11.331 4.665 4.665
418 1HB LYS 54 HB2 LYS 54 11.676 2.278 2.278
419 2HB LYS 54 HB3 LYS 54 10.428 1.848 1.848
420 1HG LYS 54 HG2 LYS 54 12.536 1.479 1.479
421 2HG LYS 54 HG3 LYS 54 11.844 2.920 2.920
422 1HD LYS 54 HD2 LYS 54 13.420 3.676 3.676
423 2HD LYS 54 HD3 LYS 54 14.388 2.653 2.653
424 1HE LYS 54 HE2 LYS 54 12.849 5.118 5.118
425 2HE LYS 54 HE3 LYS 54 14.562 5.101 5.101
426 1HZ LYS 54 HZ3 LYS 54 13.662 3.072 3.072
427 2HZ LYS 54 HZ1 LYS 54 13.594 4.605 4.605
428 3HZ LYS 54 HZ2 LYS 54 15.014 3.988 3.988
429 H GLY 55 HN GLY 55 9.491 6.175 6.175
430 1HA GLY 55 HA1 GLY 55 7.162 4.750 4.750
431 2HA GLY 55 HA2 GLY 55 7.025 6.235 6.235
432 HA PRO 56 HA PRO 56 7.462 7.474 7.474
433 1HB PRO 56 HB2 PRO 56 5.277 9.110 9.110
434 2HB PRO 56 HB3 PRO 56 5.240 7.425 7.425
435 1HG PRO 56 HG2 PRO 56 4.157 8.680 8.680
436 2HG PRO 56 HG3 PRO 56 3.773 7.117 7.117
437 1HD PRO 56 HD2 PRO 56 5.446 7.619 7.619
438 2HD PRO 56 HD3 PRO 56 5.154 6.070 6.070
439 H GLU 57 HN GLU 57 7.245 9.905 9.905
440 HA GLU 57 HA GLU 57 9.028 11.293 11.293
441 1HB GLU 57 HB2 GLU 57 8.213 12.426 12.426
442 2HB GLU 57 HB3 GLU 57 9.777 12.464 12.464
443 1HG GLU 57 HG2 GLU 57 9.866 9.902 9.902
444 2HG GLU 57 HG3 GLU 57 8.472 10.093 10.093
445 H LYS 58 HN LYS 58 5.725 11.475 11.475
446 HA LYS 58 HA LYS 58 5.302 14.168 14.168
447 1HB LYS 58 HB2 LYS 58 4.136 12.712 12.712
448 2HB LYS 58 HB3 LYS 58 3.075 12.238 12.238
449 1HG LYS 58 HG2 LYS 58 1.932 14.170 14.170
450 2HG LYS 58 HG3 LYS 58 3.319 15.030 15.030
451 1HD LYS 58 HD2 LYS 58 3.193 14.201 14.201
452 2HD LYS 58 HD3 LYS 58 2.443 15.686 15.686
453 1HE LYS 58 HE2 LYS 58 5.120 15.534 15.534
454 2HE LYS 58 HE3 LYS 58 5.212 15.232 15.232
455 1HZ LYS 58 HZ2 LYS 58 3.510 17.282 17.282
456 2HZ LYS 58 HZ3 LYS 58 4.508 17.630 17.630
457 3HZ LYS 58 HZ1 LYS 58 5.115 17.431 17.431
458 H ASP 59 HN ASP 59 3.416 11.255 11.255
459 HA ASP 59 HA ASP 59 4.025 10.830 10.830
460 1HB ASP 59 HB2 ASP 59 4.165 13.071 13.071
461 2HB ASP 59 HB3 ASP 59 2.735 13.569 13.569
462 H ILE 60 HN ILE 60 1.978 10.285 10.285
463 HA ILE 60 HA ILE 60 -0.230 9.614 9.614
464 HB ILE 60 HB ILE 60 0.234 8.226 8.226
465 1HG1 ILE 60 HG12 ILE 60 2.443 8.375 8.375
466 2HG1 ILE 60 HG13 ILE 60 1.873 6.768 6.768
467 1HG2 ILE 60 HG23 ILE 60 -1.780 7.918 7.918
468 2HG2 ILE 60 HG21 ILE 60 -0.644 7.042 7.042
469 3HG2 ILE 60 HG22 ILE 60 -0.947 6.466 6.466
470 1HD1 ILE 60 HD13 ILE 60 1.144 7.979 7.979
471 2HD1 ILE 60 HD11 ILE 60 2.750 7.250 7.250
472 3HD1 ILE 60 HD12 ILE 60 1.284 6.263 6.263
473 H GLU 61 HN GLU 61 0.083 9.851 9.851
474 HA GLU 61 HA GLU 61 -0.961 11.083 11.083
475 1HB GLU 61 HB2 GLU 61 -1.078 12.785 12.785
476 2HB GLU 61 HB3 GLU 61 -2.541 12.982 12.982
477 1HG GLU 61 HG2 GLU 61 -1.428 13.904 13.904
478 2HG GLU 61 HG3 GLU 61 -0.004 12.907 12.907
479 H PHE 62 HN PHE 62 -2.436 9.329 9.329
480 HA PHE 62 HA PHE 62 -4.852 9.079 9.079
481 1HB PHE 62 HB2 PHE 62 -4.505 10.218 10.218
482 2HB PHE 62 HB3 PHE 62 -5.644 8.885 8.885
483 HD1 PHE 62 HD1 PHE 62 -7.628 9.004 9.004
484 HD2 PHE 62 HD2 PHE 62 -5.144 12.346 12.346
485 HE1 PHE 62 HE1 PHE 62 -9.428 10.545 10.545
486 HE2 PHE 62 HE2 PHE 62 -6.944 13.887 13.887
487 HZ PHE 62 HZ PHE 62 -9.065 12.968 12.968
488 H ILE 63 HN ILE 63 -4.292 6.991 6.991
489 HA ILE 63 HA ILE 63 -3.731 5.065 5.065
490 HB ILE 63 HB ILE 63 -3.457 4.413 4.413
491 1HG1 ILE 63 HG12 ILE 63 -2.364 6.767 6.767
492 2HG1 ILE 63 HG13 ILE 63 -1.744 5.780 5.780
493 1HG2 ILE 63 HG22 ILE 63 -2.182 3.585 3.585
494 2HG2 ILE 63 HG23 ILE 63 -1.368 3.283 3.283
495 3HG2 ILE 63 HG21 ILE 63 -2.978 2.589 2.589
496 1HD1 ILE 63 HD11 ILE 63 -0.894 5.311 5.311
497 2HD1 ILE 63 HD12 ILE 63 -0.060 6.476 6.476
498 3HD1 ILE 63 HD13 ILE 63 -0.094 4.750 4.750
499 H TYR 64 HN TYR 64 -4.720 2.810 2.810
500 HA TYR 64 HA TYR 64 -7.477 3.194 3.194
501 1HB TYR 64 HB2 TYR 64 -6.185 1.662 1.662
502 2HB TYR 64 HB3 TYR 64 -7.819 1.301 1.301
503 HD1 TYR 64 HD1 TYR 64 -5.861 4.433 4.433
504 HD2 TYR 64 HD2 TYR 64 -9.452 2.200 2.200
505 HE1 TYR 64 HE1 TYR 64 -6.752 6.286 6.286
506 HE2 TYR 64 HE2 TYR 64 -10.331 4.060 4.060
507 HH TYR 64 HH TYR 64 -8.885 6.006 6.006
508 H THR 65 HN THR 65 -8.542 1.221 1.221
509 HA THR 65 HA THR 65 -7.120 -1.153 -1.153
510 HB THR 65 HB THR 65 -5.746 0.317 0.317
511 HG1 THR 65 HG1 THR 65 -6.437 -0.982 -0.982
512 1HG2 THR 65 HG23 THR 65 -8.495 1.024 1.024
513 2HG2 THR 65 HG21 THR 65 -7.162 0.883 0.883
514 3HG2 THR 65 HG22 THR 65 -7.055 2.058 2.058
515 H ALA 66 HN ALA 66 -8.321 -1.892 -1.892
516 HA ALA 66 HA ALA 66 -11.134 -1.817 -1.817
517 1HB ALA 66 HB1 ALA 66 -9.322 -3.969 -3.969
518 2HB ALA 66 HB2 ALA 66 -10.614 -3.954 -3.954
519 3HB ALA 66 HB3 ALA 66 -11.026 -4.057 -4.057
520 HA PRO 67 HA PRO 67 -12.046 0.038 0.038
521 1HB PRO 67 HB2 PRO 67 -14.660 -0.679 -0.679
522 2HB PRO 67 HB3 PRO 67 -14.158 0.625 0.625
523 1HG PRO 67 HG2 PRO 67 -15.084 -2.090 -2.090
524 2HG PRO 67 HG3 PRO 67 -14.989 -0.661 -0.661
525 1HD PRO 67 HD2 PRO 67 -13.184 -2.891 -2.891
526 2HD PRO 67 HD3 PRO 67 -13.025 -1.410 -1.410
527 H SER 68 HN SER 68 -13.757 -0.686 -0.686
528 HA SER 68 HA SER 68 -13.845 -1.920 -1.920
529 1HB SER 68 HB2 SER 68 -13.495 -3.862 -3.862
530 2HB SER 68 HB3 SER 68 -12.456 -4.358 -4.358
531 HG SER 68 HG SER 68 -14.771 -5.122 -5.122
532 H SER 69 HN SER 69 -11.925 -3.936 -3.936
533 HA SER 69 HA SER 69 -9.901 -2.093 -2.093
534 1HB SER 69 HB2 SER 69 -10.906 -3.605 -3.605
535 2HB SER 69 HB3 SER 69 -10.424 -5.009 -5.009
536 HG SER 69 HG SER 69 -8.725 -4.928 -4.928
537 H ALA 70 HN ALA 70 -9.989 -2.960 -2.960
538 HA ALA 70 HA ALA 70 -8.346 -3.210 -3.210
539 1HB ALA 70 HB1 ALA 70 -6.811 -2.856 -2.856
540 2HB ALA 70 HB2 ALA 70 -6.420 -4.557 -4.557
541 3HB ALA 70 HB3 ALA 70 -6.139 -3.305 -3.305
542 H VAL 71 HN VAL 71 -9.569 -4.715 -4.715
543 HA VAL 71 HA VAL 71 -9.306 -7.501 -7.501
544 HB VAL 71 HB VAL 71 -11.395 -7.842 -7.842
545 1HG1 VAL 71 HG12 VAL 71 -11.457 -5.690 -5.690
546 2HG1 VAL 71 HG13 VAL 71 -11.631 -4.829 -4.829
547 3HG1 VAL 71 HG11 VAL 71 -12.870 -6.001 -6.001
548 1HG2 VAL 71 HG21 VAL 71 -10.770 -7.692 -7.692
549 2HG2 VAL 71 HG22 VAL 71 -12.372 -6.974 -6.974
550 3HG2 VAL 71 HG23 VAL 71 -10.955 -5.923 -5.923
551 H CYS 72 HN CYS 72 -9.153 -5.338 -5.338
552 HA CYS 72 HA CYS 72 -7.519 -7.414 -7.414
553 1HB CYS 72 HB2 CYS 72 -8.788 -5.123 -5.123
554 2HB CYS 72 HB3 CYS 72 -8.201 -6.649 -6.649
555 H GLY 73 HN GLY 73 -7.097 -4.923 -4.923
556 1HA GLY 73 HA1 GLY 73 -4.592 -4.104 -4.104
557 2HA GLY 73 HA2 GLY 73 -5.757 -2.842 -2.842
558 H VAL 74 HN VAL 74 -4.328 -1.862 -1.862
559 HA VAL 74 HA VAL 74 -4.118 -3.431 -3.431
560 HB VAL 74 HB VAL 74 -2.266 -1.367 -1.367
561 1HG1 VAL 74 HG12 VAL 74 -2.302 -2.568 -2.568
562 2HG1 VAL 74 HG13 VAL 74 -0.861 -1.806 -1.806
563 3HG1 VAL 74 HG11 VAL 74 -2.339 -0.848 -0.848
564 1HG2 VAL 74 HG23 VAL 74 -2.258 -3.903 -3.903
565 2HG2 VAL 74 HG21 VAL 74 -0.724 -3.071 -3.071
566 3HG2 VAL 74 HG22 VAL 74 -1.476 -4.118 -4.118
567 H SER 75 HN SER 75 -5.938 -1.149 -1.149
568 HA SER 75 HA SER 75 -6.880 0.777 0.777
569 1HB SER 75 HB2 SER 75 -7.828 -1.470 -1.470
570 2HB SER 75 HB3 SER 75 -7.770 -0.188 -0.188
571 HG SER 75 HG SER 75 -9.750 -0.527 -0.527
572 H LEU 76 HN LEU 76 -5.101 2.249 2.249
573 HA LEU 76 HA LEU 76 -4.223 2.512 2.512
574 1HB LEU 76 HB2 LEU 76 -2.872 3.967 3.967
575 2HB LEU 76 HB3 LEU 76 -2.214 3.278 3.278
576 HG LEU 76 HG LEU 76 -3.023 1.033 1.033
577 1HD1 LEU 76 HD12 LEU 76 -3.268 2.871 2.871
578 2HD1 LEU 76 HD13 LEU 76 -1.527 2.537 2.537
579 3HD1 LEU 76 HD11 LEU 76 -2.707 1.212 1.212
580 1HD2 LEU 76 HD22 LEU 76 -0.641 2.182 2.182
581 2HD2 LEU 76 HD23 LEU 76 -0.952 0.486 0.486
582 3HD2 LEU 76 HD21 LEU 76 -0.290 1.614 1.614
583 H ASP 77 HN ASP 77 -4.594 4.389 4.389
584 HA ASP 77 HA ASP 77 -6.128 6.394 6.394
585 1HB ASP 77 HB2 ASP 77 -7.590 6.622 6.622
586 2HB ASP 77 HB3 ASP 77 -7.215 4.913 4.913
587 H VAL 78 HN VAL 78 -3.210 5.626 5.626
588 HA VAL 78 HA VAL 78 -1.465 6.826 6.826
589 HB VAL 78 HB VAL 78 -3.191 8.960 8.960
590 1HG1 VAL 78 HG13 VAL 78 -0.788 9.411 9.411
591 2HG1 VAL 78 HG11 VAL 78 -1.133 10.508 10.508
592 3HG1 VAL 78 HG12 VAL 78 -2.330 10.295 10.295
593 1HG2 VAL 78 HG22 VAL 78 -1.749 7.363 7.363
594 2HG2 VAL 78 HG23 VAL 78 -1.474 9.096 9.096
595 3HG2 VAL 78 HG21 VAL 78 -0.334 8.177 8.177
596 H GLY 79 HN GLY 79 -4.501 8.562 8.562
597 1HA GLY 79 HA1 GLY 79 -3.674 9.638 9.638
598 2HA GLY 79 HA2 GLY 79 -5.293 9.047 9.047
599 H GLY 80 HN GLY 80 -3.763 6.268 6.268
600 1HA GLY 80 HA1 GLY 80 -3.675 5.538 5.538
601 2HA GLY 80 HA2 GLY 80 -4.318 4.511 4.511
602 H LYS 81 HN LYS 81 -2.147 5.418 5.418
603 HA LYS 81 HA LYS 81 -0.026 3.741 3.741
604 1HB LYS 81 HB2 LYS 81 0.303 3.990 3.990
605 2HB LYS 81 HB3 LYS 81 -0.161 2.570 2.570
606 1HG LYS 81 HG2 LYS 81 -2.146 4.714 4.714
607 2HG LYS 81 HG3 LYS 81 -1.809 3.268 3.268
608 1HD LYS 81 HD2 LYS 81 -2.919 1.873 1.873
609 2HD LYS 81 HD3 LYS 81 -2.469 2.821 2.821
610 1HE LYS 81 HE2 LYS 81 -4.566 3.693 3.693
611 2HE LYS 81 HE3 LYS 81 -4.123 4.562 4.562
612 1HZ LYS 81 HZ3 LYS 81 -4.684 2.241 2.241
613 2HZ LYS 81 HZ1 LYS 81 -5.644 2.123 2.123
614 3HZ LYS 81 HZ2 LYS 81 -5.839 3.363 3.363
615 H LYS 82 HN LYS 82 0.324 5.793 5.793
616 HA LYS 82 HA LYS 82 1.187 8.137 8.137
617 1HB LYS 82 HB2 LYS 82 3.732 7.754 7.754
618 2HB LYS 82 HB3 LYS 82 2.761 7.337 7.337
619 1HG LYS 82 HG2 LYS 82 2.741 5.004 5.004
620 2HG LYS 82 HG3 LYS 82 4.388 5.596 5.596
621 1HD LYS 82 HD2 LYS 82 4.824 4.885 4.885
622 2HD LYS 82 HD3 LYS 82 3.488 5.823 5.823
623 1HE LYS 82 HE2 LYS 82 1.989 4.027 4.027
624 2HE LYS 82 HE3 LYS 82 2.808 3.270 3.270
625 1HZ LYS 82 HZ3 LYS 82 4.687 3.006 3.006
626 2HZ LYS 82 HZ1 LYS 82 3.483 3.165 3.165
627 3HZ LYS 82 HZ2 LYS 82 3.435 1.958 1.958
628 H GLU 83 HN GLU 83 2.859 5.557 5.557
629 HA GLU 83 HA GLU 83 1.967 6.699 6.699
630 1HB GLU 83 HB2 GLU 83 4.746 6.972 6.972
631 2HB GLU 83 HB3 GLU 83 3.556 8.258 8.258
632 1HG GLU 83 HG2 GLU 83 5.400 8.670 8.670
633 2HG GLU 83 HG3 GLU 83 3.871 8.479 8.479
634 H TYR 84 HN TYR 84 3.174 5.578 5.578
635 HA TYR 84 HA TYR 84 4.434 3.079 3.079
636 1HB TYR 84 HB2 TYR 84 2.672 1.875 1.875
637 2HB TYR 84 HB3 TYR 84 2.005 2.564 2.564
638 HD1 TYR 84 HD2 TYR 84 2.689 3.720 3.720
639 HD2 TYR 84 HD1 TYR 84 -0.050 3.596 3.596
640 HE1 TYR 84 HE2 TYR 84 0.974 4.999 4.999
641 HE2 TYR 84 HE1 TYR 84 -1.756 4.876 4.876
642 HH TYR 84 HH TYR 84 -1.804 5.055 5.055
643 H LEU 85 HN LEU 85 5.463 1.997 1.997
644 HA LEU 85 HA LEU 85 6.260 3.919 3.919
645 1HB LEU 85 HB2 LEU 85 7.842 2.111 2.111
646 2HB LEU 85 HB3 LEU 85 8.013 2.708 2.708
647 HG LEU 85 HG LEU 85 8.144 0.146 0.146
648 1HD1 LEU 85 HD12 LEU 85 7.767 1.628 1.628
649 2HD1 LEU 85 HD13 LEU 85 6.389 0.504 0.504
650 3HD1 LEU 85 HD11 LEU 85 8.049 -0.128 -0.128
651 1HD2 LEU 85 HD22 LEU 85 5.146 0.551 0.551
652 2HD2 LEU 85 HD23 LEU 85 6.056 -0.060 -0.060
653 3HD2 LEU 85 HD21 LEU 85 5.986 -1.015 -1.015
654 H ILE 86 HN ILE 86 3.569 2.076 2.076
655 HA ILE 86 HA ILE 86 2.568 0.564 0.564
656 HB ILE 86 HB ILE 86 2.040 3.391 3.391
657 1HG1 ILE 86 HG12 ILE 86 -0.246 2.667 2.667
658 2HG1 ILE 86 HG13 ILE 86 0.148 1.073 1.073
659 1HG2 ILE 86 HG21 ILE 86 1.701 1.924 1.924
660 2HG2 ILE 86 HG22 ILE 86 0.559 3.201 3.201
661 3HG2 ILE 86 HG23 ILE 86 2.290 3.575 3.575
662 1HD1 ILE 86 HD11 ILE 86 1.836 1.695 1.695
663 2HD1 ILE 86 HD12 ILE 86 0.117 1.903 1.903
664 3HD1 ILE 86 HD13 ILE 86 0.696 0.345 0.345
665 H ALA 87 HN ALA 87 3.775 -0.808 -0.808
666 HA ALA 87 HA ALA 87 4.751 0.348 0.348
667 1HB ALA 87 HB2 ALA 87 6.248 -0.893 -0.893
668 2HB ALA 87 HB3 ALA 87 6.281 -1.965 -1.965
669 3HB ALA 87 HB1 ALA 87 6.834 -0.279 -0.279
670 H GLY 88 HN GLY 88 3.429 -0.393 -0.393
671 1HA GLY 88 HA1 GLY 88 2.842 -3.269 -3.269
672 2HA GLY 88 HA2 GLY 88 1.502 -2.140 -2.140
673 H LYS 89 HN LYS 89 1.623 -3.740 -3.740
674 HA LYS 89 HA LYS 89 3.283 -3.248 -3.248
675 1HB LYS 89 HB2 LYS 89 1.378 -3.861 -3.861
676 2HB LYS 89 HB3 LYS 89 1.582 -4.942 -4.942
677 1HG LYS 89 HG2 LYS 89 -0.135 -2.984 -2.984
678 2HG LYS 89 HG3 LYS 89 -0.668 -3.130 -3.130
679 1HD LYS 89 HD2 LYS 89 -1.272 -5.393 -5.393
680 2HD LYS 89 HD3 LYS 89 -0.156 -5.663 -5.663
681 1HE LYS 89 HE2 LYS 89 -1.876 -5.348 -5.348
682 2HE LYS 89 HE3 LYS 89 -1.934 -3.668 -3.668
683 1HZ LYS 89 HZ3 LYS 89 -3.179 -5.153 -5.153
684 2HZ LYS 89 HZ1 LYS 89 -3.774 -5.678 -5.678
685 3HZ LYS 89 HZ2 LYS 89 -3.864 -4.094 -4.094
686 H ALA 90 HN ALA 90 0.711 -1.137 -1.137
687 HA ALA 90 HA ALA 90 0.506 1.079 1.079
688 1HB ALA 90 HB1 ALA 90 3.053 0.896 0.896
689 2HB ALA 90 HB2 ALA 90 2.430 1.188 1.188
690 3HB ALA 90 HB3 ALA 90 2.138 2.382 2.382
691 H GLU 91 HN GLU 91 -0.259 2.697 2.697
692 HA GLU 91 HA GLU 91 -1.563 1.114 1.114
693 1HB GLU 91 HB2 GLU 91 -3.021 1.830 1.830
694 2HB GLU 91 HB3 GLU 91 -3.025 3.405 3.405
695 1HG GLU 91 HG2 GLU 91 -4.952 2.392 2.392
696 2HG GLU 91 HG3 GLU 91 -3.759 2.134 2.134
697 H GLY 92 HN GLY 92 0.672 3.412 3.412
698 1HA GLY 92 HA1 GLY 92 1.465 4.420 4.420
699 2HA GLY 92 HA2 GLY 92 -0.124 5.153 5.153
700 H ASP 93 HN ASP 93 -0.185 7.250 7.250
701 HA ASP 93 HA ASP 93 1.516 7.928 7.928
702 1HB ASP 93 HB2 ASP 93 1.768 8.876 8.876
703 2HB ASP 93 HB3 ASP 93 1.012 10.191 10.191
704 H GLY 94 HN GLY 94 0.532 9.471 9.471
705 1HA GLY 94 HA1 GLY 94 -1.080 10.825 10.825
706 2HA GLY 94 HA2 GLY 94 -1.930 10.794 10.794
707 H LYS 95 HN LYS 95 -1.306 7.581 7.581
708 HA LYS 95 HA LYS 95 -3.041 6.913 6.913
709 1HB LYS 95 HB2 LYS 95 -5.105 6.503 6.503
710 2HB LYS 95 HB3 LYS 95 -4.648 8.019 8.019
711 1HG LYS 95 HG2 LYS 95 -4.116 5.299 5.299
712 2HG LYS 95 HG3 LYS 95 -5.557 6.244 6.244
713 1HD LYS 95 HD2 LYS 95 -2.677 7.111 7.111
714 2HD LYS 95 HD3 LYS 95 -3.863 6.661 6.661
715 1HE LYS 95 HE2 LYS 95 -3.926 9.100 9.100
716 2HE LYS 95 HE3 LYS 95 -3.796 9.086 9.086
717 1HZ LYS 95 HZ2 LYS 95 -6.025 7.874 7.874
718 2HZ LYS 95 HZ3 LYS 95 -6.122 8.477 8.477
719 3HZ LYS 95 HZ1 LYS 95 -6.003 9.489 9.489
720 H MET 96 HN MET 96 -2.940 4.687 4.687
721 HA MET 96 HA MET 96 -1.815 3.064 3.064
722 1HB MET 96 HB2 MET 96 -0.316 2.130 2.130
723 2HB MET 96 HB3 MET 96 0.253 3.420 3.420
724 1HG MET 96 HG2 MET 96 0.138 4.975 4.975
725 2HG MET 96 HG3 MET 96 -1.458 4.448 4.448
726 1HE MET 96 HE3 MET 96 1.974 4.748 4.748
727 2HE MET 96 HE1 MET 96 1.569 4.958 4.958
728 3HE MET 96 HE2 MET 96 2.563 3.576 3.576
729 H HIS 97 HN HIS 97 -1.338 0.717 0.717
730 HA HIS 97 HA HIS 97 -3.923 0.254 0.254
731 1HB HIS 97 HB2 HIS 97 -2.871 -0.942 -0.942
732 2HB HIS 97 HB3 HIS 97 -3.227 -2.157 -2.157
733 HD1 HIS 97 HD1 HIS 97 -5.123 -2.769 -2.769
734 HD2 HIS 97 HD2 HIS 97 -5.721 0.712 0.712
735 HE1 HIS 97 HE1 HIS 97 -7.588 -2.162 -2.162
736 H ILE 98 HN ILE 98 -3.766 -0.709 -0.709
737 HA ILE 98 HA ILE 98 -1.367 -2.261 -2.261
738 HB ILE 98 HB ILE 98 -0.841 -1.086 -1.086
739 1HG1 ILE 98 HG12 ILE 98 -3.419 0.405 0.405
740 2HG1 ILE 98 HG13 ILE 98 -2.918 -0.499 -0.499
741 1HG2 ILE 98 HG22 ILE 98 -0.296 -0.121 -0.121
742 2HG2 ILE 98 HG23 ILE 98 -1.263 1.247 1.247
743 3HG2 ILE 98 HG21 ILE 98 0.189 0.725 0.725
744 1HD1 ILE 98 HD13 ILE 98 -1.043 1.684 1.684
745 2HD1 ILE 98 HD11 ILE 98 -2.687 2.251 2.251
746 3HD1 ILE 98 HD12 ILE 98 -1.784 1.275 1.275
747 H THR 99 HN THR 99 -1.738 -3.988 -3.988
748 HA THR 99 HA THR 99 -4.377 -4.106 -4.106
749 HB THR 99 HB THR 99 -4.082 -6.672 -6.672
750 HG1 THR 99 HG1 THR 99 -3.069 -6.478 -6.478
751 1HG2 THR 99 HG21 THR 99 -5.481 -4.229 -4.229
752 2HG2 THR 99 HG22 THR 99 -5.262 -5.537 -5.537
753 3HG2 THR 99 HG23 THR 99 -6.137 -5.851 -5.851
754 H LEU 100 HN LEU 100 -4.496 -6.022 -6.022
755 HA LEU 100 HA LEU 100 -2.378 -5.746 -5.746
756 1HB LEU 100 HB2 LEU 100 -3.692 -6.884 -6.884
757 2HB LEU 100 HB3 LEU 100 -4.910 -6.446 -6.446
758 HG LEU 100 HG LEU 100 -3.470 -9.085 -9.085
759 1HD1 LEU 100 HD13 LEU 100 -5.477 -8.261 -8.261
760 2HD1 LEU 100 HD11 LEU 100 -5.765 -9.818 -9.818
761 3HD1 LEU 100 HD12 LEU 100 -4.237 -9.536 -9.536
762 1HD2 LEU 100 HD23 LEU 100 -5.428 -7.774 -7.774
763 2HD2 LEU 100 HD21 LEU 100 -4.829 -9.443 -9.443
764 3HD2 LEU 100 HD22 LEU 100 -6.258 -9.104 -9.104
765 H CYS 101 HN CYS 101 -3.294 -8.406 -8.406
766 HA CYS 101 HA CYS 101 -1.199 -10.086 -10.086
767 1HB CYS 101 HB2 CYS 101 -3.315 -10.597 -10.597
768 2HB CYS 101 HB3 CYS 101 -2.436 -9.996 -9.996
769 H ASP 102 HN ASP 102 -1.264 -7.043 -7.043
770 HA ASP 102 HA ASP 102 1.084 -7.600 -7.600
771 1HB ASP 102 HB2 ASP 102 -1.008 -5.986 -5.986
772 2HB ASP 102 HB3 ASP 102 -0.047 -4.828 -4.828
773 H PHE 103 HN PHE 103 2.933 -5.841 -5.841
774 HA PHE 103 HA PHE 103 3.828 -5.862 -5.862
775 1HB PHE 103 HB2 PHE 103 5.399 -5.946 -5.946
776 2HB PHE 103 HB3 PHE 103 4.648 -4.568 -4.568
777 HD1 PHE 103 HD2 PHE 103 5.143 -4.261 -4.261
778 HD2 PHE 103 HD1 PHE 103 6.973 -3.673 -3.673
779 HE1 PHE 103 HE2 PHE 103 6.835 -2.739 -2.739
780 HE2 PHE 103 HE1 PHE 103 8.665 -2.150 -2.150
781 HZ PHE 103 HZ PHE 103 8.577 -1.701 -1.701
782 H ILE 104 HN ILE 104 3.172 -4.530 -4.530
783 HA ILE 104 HA ILE 104 3.163 -1.724 -1.724
784 HB ILE 104 HB ILE 104 0.684 -1.568 -1.568
785 1HG1 ILE 104 HG12 ILE 104 0.594 -4.199 -4.199
786 2HG1 ILE 104 HG13 ILE 104 0.409 -4.041 -4.041
787 1HG2 ILE 104 HG23 ILE 104 2.007 -1.133 -1.133
788 2HG2 ILE 104 HG21 ILE 104 0.715 -2.248 -2.248
789 3HG2 ILE 104 HG22 ILE 104 0.302 -0.724 -0.724
790 1HD1 ILE 104 HD11 ILE 104 -1.519 -2.424 -2.424
791 2HD1 ILE 104 HD12 ILE 104 -1.395 -2.863 -2.863
792 3HD1 ILE 104 HD13 ILE 104 -1.813 -4.102 -4.102
793 H VAL 105 HN VAL 105 3.726 -0.803 -0.803
794 HA VAL 105 HA VAL 105 2.901 -2.085 -2.085
795 HB VAL 105 HB VAL 105 5.581 -1.668 -1.668
796 1HG1 VAL 105 HG12 VAL 105 3.818 -3.612 -3.612
797 2HG1 VAL 105 HG13 VAL 105 4.714 -4.403 -4.403
798 3HG1 VAL 105 HG11 VAL 105 5.574 -3.871 -3.871
799 1HG2 VAL 105 HG21 VAL 105 5.276 -2.926 -2.926
800 2HG2 VAL 105 HG22 VAL 105 6.146 -1.428 -1.428
801 3HG2 VAL 105 HG23 VAL 105 6.755 -2.997 -2.997
802 HA PRO 106 HA PRO 106 2.970 2.035 2.035
803 1HB PRO 106 HB2 PRO 106 3.340 1.828 1.828
804 2HB PRO 106 HB3 PRO 106 1.795 1.552 1.552
805 1HG PRO 106 HG2 PRO 106 3.688 -0.426 -0.426
806 2HG PRO 106 HG3 PRO 106 1.992 -0.628 -0.628
807 1HD PRO 106 HD2 PRO 106 4.224 -1.570 -1.570
808 2HD PRO 106 HD3 PRO 106 2.532 -1.670 -1.670
809 H TRP 107 HN TRP 107 5.650 0.479 0.479
810 HA TRP 107 HA TRP 107 7.752 1.157 1.157
811 1HB TRP 107 HB2 TRP 107 6.724 3.359 3.359
812 2HB TRP 107 HB3 TRP 107 6.900 3.852 3.852
813 HD1 TRP 107 HD1 TRP 107 9.406 2.325 2.325
814 HE1 TRP 107 HE1 TRP 107 11.700 3.629 3.629
815 HE3 TRP 107 HE3 TRP 107 8.045 5.593 5.593
816 HZ2 TRP 107 HZ2 TRP 107 12.665 5.831 5.831
817 HZ3 TRP 107 HZ3 TRP 107 9.722 7.288 7.288
818 HH2 TRP 107 HH2 TRP 107 11.964 7.440 7.440
819 H ASP 108 HN ASP 108 6.413 2.775 2.775
820 HA ASP 108 HA ASP 108 8.708 2.203 2.203
821 1HB ASP 108 HB2 ASP 108 6.996 4.015 4.015
822 2HB ASP 108 HB3 ASP 108 5.875 2.771 2.771
823 H THR 109 HN THR 109 8.224 -0.240 -0.240
824 HA THR 109 HA THR 109 7.630 -1.880 -1.880
825 HB THR 109 HB THR 109 5.841 -3.149 -3.149
826 HG1 THR 109 HG1 THR 109 5.947 -0.394 -0.394
827 1HG2 THR 109 HG23 THR 109 5.358 -1.658 -1.658
828 2HG2 THR 109 HG21 THR 109 5.007 -0.361 -0.361
829 3HG2 THR 109 HG22 THR 109 4.032 -1.850 -1.850
830 H LEU 110 HN LEU 110 7.818 -2.021 -2.021
831 HA LEU 110 HA LEU 110 8.715 -3.904 -3.904
832 1HB LEU 110 HB2 LEU 110 11.017 -2.135 -2.135
833 2HB LEU 110 HB3 LEU 110 10.979 -3.206 -3.206
834 HG LEU 110 HG LEU 110 9.130 -0.833 -0.833
835 1HD1 LEU 110 HD13 LEU 110 11.699 -1.070 -1.070
836 2HD1 LEU 110 HD11 LEU 110 10.531 0.266 0.266
837 3HD1 LEU 110 HD12 LEU 110 11.383 -0.009 -0.009
838 1HD2 LEU 110 HD23 LEU 110 9.006 -3.061 -3.061
839 2HD2 LEU 110 HD21 LEU 110 7.984 -1.604 -1.604
840 3HD2 LEU 110 HD22 LEU 110 9.462 -1.641 -1.641
841 H SER 111 HN SER 111 11.745 -3.578 -3.578
842 HA SER 111 HA SER 111 11.813 -4.957 -4.957
843 1HB SER 111 HB2 SER 111 10.855 -6.853 -6.853
844 2HB SER 111 HB3 SER 111 12.016 -7.479 -7.479
845 HG SER 111 HG SER 111 10.190 -6.101 -6.101
846 H THR 112 HN THR 112 12.859 -5.287 -5.287
847 HA THR 112 HA THR 112 15.354 -4.412 -4.412
848 HB THR 112 HB THR 112 15.127 -7.019 -7.019
849 HG1 THR 112 HG1 THR 112 16.994 -4.773 -4.773
850 1HG2 THR 112 HG21 THR 112 17.374 -6.399 -6.399
851 2HG2 THR 112 HG22 THR 112 17.553 -7.531 -7.531
852 3HG2 THR 112 HG23 THR 112 16.383 -7.878 -7.878
853 H THR 113 HN THR 113 14.276 -7.751 -7.751
854 HA THR 113 HA THR 113 15.465 -7.794 -7.794
855 HB THR 113 HB THR 113 12.849 -9.015 -9.015
856 HG1 THR 113 HG1 THR 113 14.342 -10.631 -10.631
857 1HG2 THR 113 HG21 THR 113 14.077 -9.120 -9.120
858 2HG2 THR 113 HG22 THR 113 14.141 -10.716 -10.716
859 3HG2 THR 113 HG23 THR 113 12.577 -9.895 -9.895
860 H GLN 114 HN GLN 114 12.696 -5.896 -5.896
861 HA GLN 114 HA GLN 114 11.866 -5.454 -5.454
862 1HB GLN 114 HB2 GLN 114 10.907 -4.653 -4.653
863 2HB GLN 114 HB3 GLN 114 10.448 -3.620 -3.620
864 1HG GLN 114 HG2 GLN 114 8.707 -5.114 -5.114
865 2HG GLN 114 HG3 GLN 114 9.871 -6.021 -6.021
866 1HE2 GLN 114 HE22 GLN 114 10.777 -8.213 -8.213
867 2HE2 GLN 114 HE21 GLN 114 11.539 -7.172 -7.172
868 H LYS 115 HN LYS 115 13.825 -3.873 -3.873
869 HA LYS 115 HA LYS 115 13.939 -1.359 -1.359
870 1HB LYS 115 HB2 LYS 115 14.911 -2.571 -2.571
871 2HB LYS 115 HB3 LYS 115 16.154 -1.594 -1.594
872 1HG LYS 115 HG2 LYS 115 14.951 0.384 0.384
873 2HG LYS 115 HG3 LYS 115 13.397 -0.410 -0.410
874 1HD LYS 115 HD2 LYS 115 15.178 -0.284 -0.284
875 2HD LYS 115 HD3 LYS 115 13.527 0.278 0.278
876 1HE LYS 115 HE2 LYS 115 12.947 -2.238 -2.238
877 2HE LYS 115 HE3 LYS 115 14.525 -2.588 -2.588
878 1HZ LYS 115 HZ3 LYS 115 13.560 -0.962 -0.962
879 2HZ LYS 115 HZ1 LYS 115 12.159 -1.622 -1.622
880 3HZ LYS 115 HZ2 LYS 115 13.351 -2.581 -2.581
881 H LYS 116 HN LYS 116 15.979 -4.326 -4.326
882 HA LYS 116 HA LYS 116 18.098 -3.256 -3.256
883 1HB LYS 116 HB2 LYS 116 18.910 -5.454 -5.454
884 2HB LYS 116 HB3 LYS 116 18.034 -5.376 -5.376
885 1HG LYS 116 HG2 LYS 116 16.907 -7.218 -7.218
886 2HG LYS 116 HG3 LYS 116 16.037 -6.140 -6.140
887 1HD LYS 116 HD2 LYS 116 18.707 -7.021 -7.021
888 2HD LYS 116 HD3 LYS 116 17.524 -8.302 -8.302
889 1HE LYS 116 HE2 LYS 116 16.549 -7.630 -7.630
890 2HE LYS 116 HE3 LYS 116 16.140 -6.099 -6.099
891 1HZ LYS 116 HZ3 LYS 116 18.695 -5.723 -5.723
892 2HZ LYS 116 HZ1 LYS 116 18.309 -6.732 -6.732
893 3HZ LYS 116 HZ2 LYS 116 17.494 -5.329 -5.329
894 H SER 117 HN SER 117 14.844 -4.155 -4.155
895 HA SER 117 HA SER 117 15.556 -4.535 -4.535
896 1HB SER 117 HB2 SER 117 13.485 -5.461 -5.461
897 2HB SER 117 HB3 SER 117 12.688 -4.235 -4.235
898 HG SER 117 HG SER 117 13.766 -6.722 -6.722
899 H LEU 118 HN LEU 118 14.827 -1.952 -1.952
900 HA LEU 118 HA LEU 118 13.452 -0.276 -0.276
901 1HB LEU 118 HB2 LEU 118 14.825 0.198 0.198
902 2HB LEU 118 HB3 LEU 118 14.061 1.482 1.482
903 HG LEU 118 HG LEU 118 12.570 -1.003 -1.003
904 1HD1 LEU 118 HD12 LEU 118 13.679 0.673 0.673
905 2HD1 LEU 118 HD13 LEU 118 12.132 1.501 1.501
906 3HD1 LEU 118 HD11 LEU 118 12.144 -0.193 -0.193
907 1HD2 LEU 118 HD21 LEU 118 11.884 1.486 1.486
908 2HD2 LEU 118 HD22 LEU 118 11.116 -0.119 -0.119
909 3HD2 LEU 118 HD23 LEU 118 10.750 1.012 1.012
910 H ASN 119 HN ASN 119 16.820 -1.092 -1.092
911 HA ASN 119 HA ASN 119 17.779 1.218 1.218
912 1HB ASN 119 HB2 ASN 119 19.452 -1.234 -1.234
913 2HB ASN 119 HB3 ASN 119 19.964 0.440 0.440
914 1HD2 ASN 119 HD22 ASN 119 18.175 -1.179 -1.179
915 2HD2 ASN 119 HD21 ASN 119 18.209 -1.985 -1.985
916 H HIS 120 HN HIS 120 16.432 -1.800 -1.800
917 HA HIS 120 HA HIS 120 18.152 -2.342 -2.342
918 1HB HIS 120 HB2 HIS 120 15.863 -3.660 -3.660
919 2HB HIS 120 HB3 HIS 120 16.020 -3.974 -3.974
920 HD1 HIS 120 HD1 HIS 120 19.219 -3.442 -3.442
921 HD2 HIS 120 HD2 HIS 120 16.783 -6.657 -6.657
922 HE1 HIS 120 HE1 HIS 120 20.623 -5.550 -5.550
923 H ARG 121 HN ARG 121 16.219 0.168 0.168
924 HA ARG 121 HA ARG 121 15.130 1.560 1.560
925 1HB ARG 121 HB2 ARG 121 16.596 -0.035 -0.035
926 2HB ARG 121 HB3 ARG 121 15.303 0.998 0.998
927 1HG ARG 121 HG2 ARG 121 17.226 2.395 2.395
928 2HG ARG 121 HG3 ARG 121 16.392 2.893 2.893
929 1HD ARG 121 HD2 ARG 121 18.395 2.554 2.554
930 2HD ARG 121 HD3 ARG 121 17.995 0.850 0.850
931 HE ARG 121 HE ARG 121 19.144 1.290 1.290
932 1HH1 ARG 121 HH22 ARG 121 20.173 2.023 2.023
933 2HH1 ARG 121 HH21 ARG 121 21.862 1.903 1.903
934 1HH2 ARG 121 HH12 ARG 121 21.372 1.132 1.132
935 2HH2 ARG 121 HH11 ARG 121 22.548 1.394 1.394
936 H TYR 122 HN TYR 122 14.695 -1.118 -1.118
937 HA TYR 122 HA TYR 122 12.026 -1.654 -1.654
938 1HB TYR 122 HB2 TYR 122 11.404 0.097 0.097
939 2HB TYR 122 HB3 TYR 122 12.839 -0.113 -0.113
940 HD1 TYR 122 HD2 TYR 122 10.143 -2.545 -2.545
941 HD2 TYR 122 HD1 TYR 122 12.139 -0.443 -0.443
942 HE1 TYR 122 HE2 TYR 122 8.781 -3.821 -3.821
943 HE2 TYR 122 HE1 TYR 122 10.770 -1.726 -1.726
944 HH TYR 122 HH TYR 122 9.429 -3.437 -3.437
945 H GLN 123 HN GLN 123 12.773 -3.796 -3.796
946 HA GLN 123 HA GLN 123 13.232 -5.863 -5.863
947 1HB GLN 123 HB2 GLN 123 11.172 -5.836 -5.836
948 2HB GLN 123 HB3 GLN 123 11.968 -5.104 -5.104
949 1HG GLN 123 HG2 GLN 123 13.479 -7.442 -7.442
950 2HG GLN 123 HG3 GLN 123 11.808 -7.929 -7.929
951 1HE2 GLN 123 HE22 GLN 123 12.055 -8.608 -8.608
952 2HE2 GLN 123 HE21 GLN 123 12.186 -9.257 -9.257
953 H MET 124 HN MET 124 15.551 -4.896 -4.896
954 HA MET 124 HA MET 124 16.973 -4.552 -4.552
955 1HB MET 124 HB2 MET 124 17.469 -4.610 -4.610
956 2HB MET 124 HB3 MET 124 18.824 -5.251 -5.251
957 1HG MET 124 HG2 MET 124 17.768 -2.803 -2.803
958 2HG MET 124 HG3 MET 124 18.224 -2.522 -2.522
959 1HE MET 124 HE2 MET 124 20.384 -1.688 -1.688
960 2HE MET 124 HE3 MET 124 20.676 -3.383 -3.383
961 3HE MET 124 HE1 MET 124 21.911 -2.484 -2.484
962 H GLY 125 HN GLY 125 15.781 -6.784 -6.784
963 1HA GLY 125 HA1 GLY 125 16.030 -8.924 -8.924
964 2HA GLY 125 HA2 GLY 125 17.753 -8.597 -8.597
965 H CYS 126 HN CYS 126 15.868 -8.261 -8.261
966 HA CYS 126 HA CYS 126 17.532 -9.939 -9.939
967 1HB CYS 126 HB2 CYS 126 16.270 -9.420 -9.420
968 2HB CYS 126 HB3 CYS 126 15.784 -8.125 -8.125
969 H GLU 127 HN GLU 127 15.968 -11.763 -11.763
970 HA GLU 127 HA GLU 127 14.243 -13.287 -13.287
971 1HB GLU 127 HB2 GLU 127 16.278 -13.705 -13.705
972 2HB GLU 127 HB3 GLU 127 17.084 -14.399 -14.399
973 1HG GLU 127 HG2 GLU 127 14.497 -15.659 -15.659
974 2HG GLU 127 HG3 GLU 127 15.245 -15.676 -15.676
Start of MODEL 9
1 H CYS 1 HN CYS 1 -8.919 -10.441 -10.441
2 HA CYS 1 HA CYS 1 -8.223 -9.256 -9.256
3 1HB CYS 1 HB2 CYS 1 -10.766 -10.799 -10.799
4 2HB CYS 1 HB3 CYS 1 -10.536 -9.576 -9.576
5 H SER 2 HN SER 2 -8.849 -10.180 -10.180
6 HA SER 2 HA SER 2 -8.066 -11.503 -11.503
7 1HB SER 2 HB2 SER 2 -9.066 -14.043 -14.043
8 2HB SER 2 HB3 SER 2 -9.850 -12.859 -12.859
9 HG SER 2 HG SER 2 -11.304 -13.164 -13.164
10 H CYS 3 HN CYS 3 -6.244 -11.233 -11.233
11 HA CYS 3 HA CYS 3 -5.136 -13.805 -13.805
12 1HB CYS 3 HB2 CYS 3 -3.559 -11.327 -11.327
13 2HB CYS 3 HB3 CYS 3 -3.717 -12.775 -12.775
14 H SER 4 HN SER 4 -2.724 -14.223 -14.223
15 HA SER 4 HA SER 4 -2.373 -13.492 -13.492
16 1HB SER 4 HB2 SER 4 -0.898 -15.407 -15.407
17 2HB SER 4 HB3 SER 4 -2.344 -15.913 -15.913
18 HG SER 4 HG SER 4 -1.245 -16.009 -16.009
19 HA PRO 5 HA PRO 5 0.741 -10.757 -10.757
20 1HB PRO 5 HB2 PRO 5 1.059 -9.302 -9.302
21 2HB PRO 5 HB3 PRO 5 -0.149 -8.927 -8.927
22 1HG PRO 5 HG2 PRO 5 -0.511 -10.190 -10.190
23 2HG PRO 5 HG3 PRO 5 -1.711 -9.432 -9.432
24 1HD PRO 5 HD2 PRO 5 -1.303 -12.246 -12.246
25 2HD PRO 5 HD3 PRO 5 -2.423 -11.487 -11.487
26 H VAL 6 HN VAL 6 2.660 -11.628 -11.628
27 HA VAL 6 HA VAL 6 4.292 -12.212 -12.212
28 HB VAL 6 HB VAL 6 3.156 -14.300 -14.300
29 1HG1 VAL 6 HG13 VAL 6 4.014 -13.392 -13.392
30 2HG1 VAL 6 HG11 VAL 6 4.660 -15.016 -15.016
31 3HG1 VAL 6 HG12 VAL 6 2.908 -14.718 -14.718
32 1HG2 VAL 6 HG22 VAL 6 6.064 -13.872 -13.872
33 2HG2 VAL 6 HG23 VAL 6 5.006 -15.013 -15.013
34 3HG2 VAL 6 HG21 VAL 6 5.601 -15.410 -15.410
35 H HIS 7 HN HIS 7 5.957 -13.573 -13.573
36 HA HIS 7 HA HIS 7 7.845 -12.869 -12.869
37 1HB HIS 7 HB2 HIS 7 7.216 -11.042 -11.042
38 2HB HIS 7 HB3 HIS 7 6.765 -12.729 -12.729
39 HD1 HIS 7 HD1 HIS 7 4.361 -13.108 -13.108
40 HD2 HIS 7 HD2 HIS 7 4.960 -9.485 -9.485
41 HE1 HIS 7 HE1 HIS 7 2.079 -11.973 -11.973
42 HA PRO 8 HA PRO 8 8.835 -9.350 -9.350
43 1HB PRO 8 HB2 PRO 8 11.325 -10.196 -10.196
44 2HB PRO 8 HB3 PRO 8 9.876 -10.567 -10.567
45 1HG PRO 8 HG2 PRO 8 11.455 -12.332 -12.332
46 2HG PRO 8 HG3 PRO 8 10.286 -12.772 -12.772
47 1HD PRO 8 HD2 PRO 8 9.877 -12.778 -12.778
48 2HD PRO 8 HD3 PRO 8 8.675 -13.104 -13.104
49 H GLN 9 HN GLN 9 10.387 -10.740 -10.740
50 HA GLN 9 HA GLN 9 11.538 -8.106 -8.106
51 1HB GLN 9 HB2 GLN 9 13.422 -9.505 -9.505
52 2HB GLN 9 HB3 GLN 9 12.741 -10.856 -10.856
53 1HG GLN 9 HG2 GLN 9 14.080 -10.132 -10.132
54 2HG GLN 9 HG3 GLN 9 12.805 -8.963 -8.963
55 1HE2 GLN 9 HE22 GLN 9 14.760 -6.671 -6.671
56 2HE2 GLN 9 HE21 GLN 9 13.358 -7.661 -7.661
57 H GLN 10 HN GLN 10 10.164 -11.153 -11.153
58 HA GLN 10 HA GLN 10 10.138 -10.426 -10.426
59 1HB GLN 10 HB2 GLN 10 7.859 -11.983 -11.983
60 2HB GLN 10 HB3 GLN 10 8.597 -12.209 -12.209
61 1HG GLN 10 HG2 GLN 10 10.798 -12.681 -12.681
62 2HG GLN 10 HG3 GLN 10 9.641 -13.021 -13.021
63 1HE2 GLN 10 HE22 GLN 10 8.156 -15.865 -15.865
64 2HE2 GLN 10 HE21 GLN 10 7.814 -14.482 -14.482
65 H ALA 11 HN ALA 11 8.593 -8.866 -8.866
66 HA ALA 11 HA ALA 11 6.263 -8.032 -8.032
67 1HB ALA 11 HB1 ALA 11 7.160 -8.109 -8.109
68 2HB ALA 11 HB2 ALA 11 6.621 -6.465 -6.465
69 3HB ALA 11 HB3 ALA 11 5.521 -7.846 -7.846
70 H PHE 12 HN PHE 12 9.499 -6.816 -6.816
71 HA PHE 12 HA PHE 12 8.911 -4.227 -4.227
72 1HB PHE 12 HB2 PHE 12 11.371 -5.586 -5.586
73 2HB PHE 12 HB3 PHE 12 11.379 -3.914 -3.914
74 HD1 PHE 12 HD1 PHE 12 8.865 -5.915 -5.915
75 HD2 PHE 12 HD2 PHE 12 11.456 -2.554 -2.554
76 HE1 PHE 12 HE1 PHE 12 7.989 -5.206 -5.206
77 HE2 PHE 12 HE2 PHE 12 10.580 -1.846 -1.846
78 HZ PHE 12 HZ PHE 12 8.857 -3.180 -3.180
79 H CYS 13 HN CYS 13 9.576 -7.207 -7.207
80 HA CYS 13 HA CYS 13 11.350 -6.086 -6.086
81 1HB CYS 13 HB2 CYS 13 10.970 -8.855 -8.855
82 2HB CYS 13 HB3 CYS 13 11.504 -8.651 -8.651
83 H ASN 14 HN ASN 14 8.130 -7.031 -7.031
84 HA ASN 14 HA ASN 14 7.477 -7.640 -7.640
85 1HB ASN 14 HB2 ASN 14 6.433 -8.411 -8.411
86 2HB ASN 14 HB3 ASN 14 5.164 -7.505 -7.505
87 1HD2 ASN 14 HD22 ASN 14 6.133 -11.285 -11.285
88 2HD2 ASN 14 HD21 ASN 14 6.838 -10.436 -10.436
89 H ALA 15 HN ALA 15 6.974 -5.255 -5.255
90 HA ALA 15 HA ALA 15 4.946 -3.742 -3.742
91 1HB ALA 15 HB3 ALA 15 7.317 -2.982 -2.982
92 2HB ALA 15 HB1 ALA 15 5.928 -1.914 -1.914
93 3HB ALA 15 HB2 ALA 15 5.688 -3.457 -3.457
94 H ASP 16 HN ASP 16 5.408 -1.294 -1.294
95 HA ASP 16 HA ASP 16 7.716 -1.083 -1.083
96 1HB ASP 16 HB2 ASP 16 4.961 -1.593 -1.593
97 2HB ASP 16 HB3 ASP 16 5.864 -0.324 -0.324
98 H VAL 17 HN VAL 17 6.044 0.166 0.166
99 HA VAL 17 HA VAL 17 6.530 2.867 2.867
100 HB VAL 17 HB VAL 17 4.431 2.496 2.496
101 1HG1 VAL 17 HG11 VAL 17 3.633 1.253 1.253
102 2HG1 VAL 17 HG12 VAL 17 2.445 2.441 2.441
103 3HG1 VAL 17 HG13 VAL 17 2.939 1.085 1.085
104 1HG2 VAL 17 HG21 VAL 17 5.082 4.693 4.693
105 2HG2 VAL 17 HG22 VAL 17 3.383 4.497 4.497
106 3HG2 VAL 17 HG23 VAL 17 3.848 4.275 4.275
107 H VAL 18 HN VAL 18 7.881 2.351 2.351
108 HA VAL 18 HA VAL 18 6.381 1.973 1.973
109 HB VAL 18 HB VAL 18 9.331 2.255 2.255
110 1HG1 VAL 18 HG12 VAL 18 7.214 0.908 0.908
111 2HG1 VAL 18 HG13 VAL 18 8.645 -0.111 -0.111
112 3HG1 VAL 18 HG11 VAL 18 8.824 1.469 1.469
113 1HG2 VAL 18 HG23 VAL 18 7.906 0.335 0.335
114 2HG2 VAL 18 HG21 VAL 18 9.583 0.927 0.927
115 3HG2 VAL 18 HG22 VAL 18 9.145 -0.378 -0.378
116 H ILE 19 HN ILE 19 5.700 3.708 3.708
117 HA ILE 19 HA ILE 19 7.444 6.026 6.026
118 HB ILE 19 HB ILE 19 5.757 7.588 7.588
119 1HG1 ILE 19 HG12 ILE 19 3.948 5.221 5.221
120 2HG1 ILE 19 HG13 ILE 19 3.694 6.864 6.864
121 1HG2 ILE 19 HG21 ILE 19 7.150 6.355 6.355
122 2HG2 ILE 19 HG22 ILE 19 5.644 5.494 5.494
123 3HG2 ILE 19 HG23 ILE 19 5.724 7.266 7.266
124 1HD1 ILE 19 HD12 ILE 19 3.725 7.521 7.521
125 2HD1 ILE 19 HD13 ILE 19 3.498 5.781 5.781
126 3HD1 ILE 19 HD11 ILE 19 2.283 6.690 6.690
127 H ARG 20 HN ARG 20 7.631 6.663 6.663
128 HA ARG 20 HA ARG 20 6.021 5.359 5.359
129 1HB ARG 20 HB2 ARG 20 8.486 5.996 5.996
130 2HB ARG 20 HB3 ARG 20 7.983 7.667 7.667
131 1HG ARG 20 HG2 ARG 20 6.503 6.984 6.984
132 2HG ARG 20 HG3 ARG 20 7.164 5.365 5.365
133 1HD ARG 20 HD2 ARG 20 8.322 6.798 6.798
134 2HD ARG 20 HD3 ARG 20 9.414 6.156 6.156
135 HE ARG 20 HE ARG 20 9.001 8.471 8.471
136 1HH1 ARG 20 HH22 ARG 20 9.091 7.950 7.950
137 2HH1 ARG 20 HH21 ARG 20 9.626 9.559 9.559
138 1HH2 ARG 20 HH12 ARG 20 9.708 10.593 10.593
139 2HH2 ARG 20 HH11 ARG 20 9.979 11.072 11.072
140 H THR 21 HN THR 21 4.346 6.880 6.880
141 HA THR 21 HA THR 21 3.817 9.475 9.475
142 HB THR 21 HB THR 21 3.046 8.672 8.672
143 HG1 THR 21 HG1 THR 21 1.268 9.904 9.904
144 1HG2 THR 21 HG21 THR 21 2.642 6.228 6.228
145 2HG2 THR 21 HG22 THR 21 1.041 6.862 6.862
146 3HG2 THR 21 HG23 THR 21 1.548 6.854 6.854
147 H LYS 22 HN LYS 22 1.554 10.066 10.066
148 HA LYS 22 HA LYS 22 1.063 8.266 8.266
149 1HB LYS 22 HB2 LYS 22 0.812 10.187 10.187
150 2HB LYS 22 HB3 LYS 22 2.403 10.196 10.196
151 1HG LYS 22 HG2 LYS 22 1.758 11.911 11.911
152 2HG LYS 22 HG3 LYS 22 0.062 11.756 11.756
153 1HD LYS 22 HD2 LYS 22 2.304 12.936 12.936
154 2HD LYS 22 HD3 LYS 22 0.835 13.723 13.723
155 1HE LYS 22 HE2 LYS 22 -0.409 11.876 11.876
156 2HE LYS 22 HE3 LYS 22 1.149 11.624 11.624
157 1HZ LYS 22 HZ1 LYS 22 0.466 14.372 14.372
158 2HZ LYS 22 HZ2 LYS 22 -0.639 13.524 13.524
159 3HZ LYS 22 HZ3 LYS 22 0.931 13.506 13.506
160 H ALA 23 HN ALA 23 -0.967 7.479 7.479
161 HA ALA 23 HA ALA 23 -2.923 8.887 8.887
162 1HB ALA 23 HB1 ALA 23 -2.885 6.129 6.129
163 2HB ALA 23 HB2 ALA 23 -4.211 6.763 6.763
164 3HB ALA 23 HB3 ALA 23 -2.599 6.507 6.507
165 H VAL 24 HN VAL 24 -3.953 10.516 10.516
166 HA VAL 24 HA VAL 24 -4.750 9.952 9.952
167 HB VAL 24 HB VAL 24 -4.985 12.506 12.506
168 1HG1 VAL 24 HG11 VAL 24 -2.473 10.885 10.885
169 2HG1 VAL 24 HG12 VAL 24 -2.327 12.657 12.657
170 3HG1 VAL 24 HG13 VAL 24 -3.279 11.781 11.781
171 1HG2 VAL 24 HG21 VAL 24 -4.739 12.613 12.613
172 2HG2 VAL 24 HG22 VAL 24 -3.861 13.816 13.816
173 3HG2 VAL 24 HG23 VAL 24 -2.995 12.417 12.417
174 H SER 25 HN SER 25 -5.763 11.056 11.056
175 HA SER 25 HA SER 25 -8.507 10.958 10.958
176 1HB SER 25 HB2 SER 25 -8.351 13.105 13.105
177 2HB SER 25 HB3 SER 25 -7.107 12.677 12.677
178 HG SER 25 HG SER 25 -9.209 13.157 13.157
179 H GLU 26 HN GLU 26 -10.136 10.181 10.181
180 HA GLU 26 HA GLU 26 -8.949 8.441 8.441
181 1HB GLU 26 HB2 GLU 26 -10.573 7.449 7.449
182 2HB GLU 26 HB3 GLU 26 -10.563 6.559 6.559
183 1HG GLU 26 HG2 GLU 26 -8.648 5.570 5.570
184 2HG GLU 26 HG3 GLU 26 -7.845 7.102 7.102
185 H LYS 27 HN LYS 27 -11.125 7.104 7.104
186 HA LYS 27 HA LYS 27 -13.387 8.888 8.888
187 1HB LYS 27 HB2 LYS 27 -11.905 9.943 9.943
188 2HB LYS 27 HB3 LYS 27 -11.666 8.416 8.416
189 1HG LYS 27 HG2 LYS 27 -13.842 8.389 8.389
190 2HG LYS 27 HG3 LYS 27 -14.499 9.378 9.378
191 1HD LYS 27 HD2 LYS 27 -14.161 10.457 10.457
192 2HD LYS 27 HD3 LYS 27 -13.724 11.389 11.389
193 1HE LYS 27 HE2 LYS 27 -11.366 10.878 10.878
194 2HE LYS 27 HE3 LYS 27 -11.702 9.654 9.654
195 1HZ LYS 27 HZ3 LYS 27 -12.794 12.177 12.177
196 2HZ LYS 27 HZ1 LYS 27 -11.175 12.249 12.249
197 3HZ LYS 27 HZ2 LYS 27 -11.819 11.196 11.196
198 H GLU 28 HN GLU 28 -15.069 7.535 7.535
199 HA GLU 28 HA GLU 28 -14.737 4.778 4.778
200 1HB GLU 28 HB2 GLU 28 -16.075 5.421 5.421
201 2HB GLU 28 HB3 GLU 28 -17.089 6.469 6.469
202 1HG GLU 28 HG2 GLU 28 -17.502 4.144 4.144
203 2HG GLU 28 HG3 GLU 28 -17.116 3.472 3.472
204 H VAL 29 HN VAL 29 -14.427 4.429 4.429
205 HA VAL 29 HA VAL 29 -16.512 5.463 5.463
206 HB VAL 29 HB VAL 29 -14.895 4.629 4.629
207 1HG1 VAL 29 HG13 VAL 29 -15.132 7.031 7.031
208 2HG1 VAL 29 HG11 VAL 29 -13.435 6.674 6.674
209 3HG1 VAL 29 HG12 VAL 29 -13.957 6.701 6.701
210 1HG2 VAL 29 HG22 VAL 29 -13.648 3.104 3.104
211 2HG2 VAL 29 HG23 VAL 29 -12.615 4.185 4.185
212 3HG2 VAL 29 HG21 VAL 29 -12.934 4.552 4.552
213 H ASP 30 HN ASP 30 -18.259 4.081 4.081
214 HA ASP 30 HA ASP 30 -18.230 1.482 1.482
215 1HB ASP 30 HB2 ASP 30 -20.132 2.532 2.532
216 2HB ASP 30 HB3 ASP 30 -20.467 1.370 1.370
217 H SER 31 HN SER 31 -18.164 -0.524 -0.524
218 HA SER 31 HA SER 31 -17.416 -0.190 -0.190
219 1HB SER 31 HB2 SER 31 -15.307 -0.727 -0.727
220 2HB SER 31 HB3 SER 31 -15.909 -1.525 -1.525
221 HG SER 31 HG SER 31 -16.115 -2.637 -2.637
222 H GLY 32 HN GLY 32 -19.904 -0.996 -0.996
223 1HA GLY 32 HA1 GLY 32 -21.641 -2.393 -2.393
224 2HA GLY 32 HA2 GLY 32 -20.842 -3.028 -3.028
225 H ASN 33 HN ASN 33 -22.007 -5.035 -5.035
226 HA ASN 33 HA ASN 33 -20.589 -6.110 -6.110
227 1HB ASN 33 HB2 ASN 33 -22.537 -7.636 -7.636
228 2HB ASN 33 HB3 ASN 33 -22.210 -7.895 -7.895
229 1HD2 ASN 33 HD22 ASN 33 -24.076 -5.044 -5.044
230 2HD2 ASN 33 HD21 ASN 33 -22.601 -5.916 -5.916
231 H ASP 34 HN ASP 34 -19.757 -8.512 -8.512
232 HA ASP 34 HA ASP 34 -18.132 -8.567 -8.567
233 1HB ASP 34 HB2 ASP 34 -17.435 -8.993 -8.993
234 2HB ASP 34 HB3 ASP 34 -17.972 -10.626 -10.626
235 H ILE 35 HN ILE 35 -17.664 -11.469 -11.469
236 HA ILE 35 HA ILE 35 -20.051 -12.297 -12.297
237 HB ILE 35 HB ILE 35 -17.419 -13.695 -13.695
238 1HG1 ILE 35 HG12 ILE 35 -17.090 -13.118 -13.118
239 2HG1 ILE 35 HG13 ILE 35 -18.431 -12.002 -12.002
240 1HG2 ILE 35 HG23 ILE 35 -19.926 -14.522 -14.522
241 2HG2 ILE 35 HG21 ILE 35 -18.396 -14.888 -14.888
242 3HG2 ILE 35 HG22 ILE 35 -18.680 -15.495 -15.495
243 1HD1 ILE 35 HD11 ILE 35 -16.175 -11.887 -11.887
244 2HD1 ILE 35 HD12 ILE 35 -15.958 -11.155 -11.155
245 3HD1 ILE 35 HD13 ILE 35 -17.265 -10.589 -10.589
246 H TYR 36 HN TYR 36 -19.324 -12.031 -12.031
247 HA TYR 36 HA TYR 36 -20.606 -14.587 -14.587
248 1HB TYR 36 HB2 TYR 36 -18.249 -13.495 -13.495
249 2HB TYR 36 HB3 TYR 36 -19.322 -12.622 -12.622
250 HD1 TYR 36 HD1 TYR 36 -18.853 -16.164 -16.164
251 HD2 TYR 36 HD2 TYR 36 -19.615 -13.531 -13.531
252 HE1 TYR 36 HE1 TYR 36 -18.877 -18.146 -18.146
253 HE2 TYR 36 HE2 TYR 36 -19.637 -15.522 -15.522
254 HH TYR 36 HH TYR 36 -20.178 -18.386 -18.386
255 H GLY 37 HN GLY 37 -21.364 -11.392 -11.392
256 1HA GLY 37 HA1 GLY 37 -23.436 -10.442 -10.442
257 2HA GLY 37 HA2 GLY 37 -23.799 -11.588 -11.588
258 H ASN 38 HN ASN 38 -20.762 -10.744 -10.744
259 HA ASN 38 HA ASN 38 -21.714 -8.977 -8.977
260 1HB ASN 38 HB2 ASN 38 -19.168 -8.897 -8.897
261 2HB ASN 38 HB3 ASN 38 -19.964 -10.453 -10.453
262 1HD2 ASN 38 HD22 ASN 38 -16.754 -10.887 -10.887
263 2HD2 ASN 38 HD21 ASN 38 -17.267 -10.294 -10.294
264 HA PRO 39 HA PRO 39 -20.561 -5.251 -5.251
265 1HB PRO 39 HB2 PRO 39 -20.077 -3.582 -3.582
266 2HB PRO 39 HB3 PRO 39 -21.690 -3.962 -3.962
267 1HG PRO 39 HG2 PRO 39 -20.296 -4.950 -4.950
268 2HG PRO 39 HG3 PRO 39 -22.011 -4.971 -4.971
269 1HD PRO 39 HD2 PRO 39 -20.201 -7.191 -7.191
270 2HD PRO 39 HD3 PRO 39 -21.888 -7.183 -7.183
271 H ILE 40 HN ILE 40 -18.875 -4.567 -4.567
272 HA ILE 40 HA ILE 40 -16.325 -5.517 -5.517
273 HB ILE 40 HB ILE 40 -17.222 -3.725 -3.725
274 1HG1 ILE 40 HG12 ILE 40 -16.562 -6.680 -6.680
275 2HG1 ILE 40 HG13 ILE 40 -18.132 -5.963 -5.963
276 1HG2 ILE 40 HG21 ILE 40 -14.496 -4.801 -4.801
277 2HG2 ILE 40 HG22 ILE 40 -14.945 -4.407 -4.407
278 3HG2 ILE 40 HG23 ILE 40 -14.975 -3.141 -3.141
279 1HD1 ILE 40 HD13 ILE 40 -16.691 -4.730 -4.730
280 2HD1 ILE 40 HD11 ILE 40 -15.788 -6.258 -6.258
281 3HD1 ILE 40 HD12 ILE 40 -17.528 -6.283 -6.283
282 H LYS 41 HN LYS 41 -16.967 -2.134 -2.134
283 HA LYS 41 HA LYS 41 -16.455 -0.186 -0.186
284 1HB LYS 41 HB2 LYS 41 -17.745 -1.002 -1.002
285 2HB LYS 41 HB3 LYS 41 -16.275 -1.661 -1.661
286 1HG LYS 41 HG2 LYS 41 -16.777 0.575 0.575
287 2HG LYS 41 HG3 LYS 41 -15.255 0.590 0.590
288 1HD LYS 41 HD2 LYS 41 -16.322 2.550 2.550
289 2HD LYS 41 HD3 LYS 41 -16.645 1.396 1.396
290 1HE LYS 41 HE2 LYS 41 -18.573 1.992 1.992
291 2HE LYS 41 HE3 LYS 41 -18.678 2.728 2.728
292 1HZ LYS 41 HZ2 LYS 41 -18.543 0.151 0.151
293 2HZ LYS 41 HZ3 LYS 41 -19.342 0.063 0.063
294 3HZ LYS 41 HZ1 LYS 41 -19.945 0.964 0.964
295 H ARG 42 HN ARG 42 -14.578 0.860 0.860
296 HA ARG 42 HA ARG 42 -12.166 -0.469 -0.469
297 1HB ARG 42 HB2 ARG 42 -11.342 0.884 0.884
298 2HB ARG 42 HB3 ARG 42 -11.650 -0.838 -0.838
299 1HG ARG 42 HG2 ARG 42 -14.089 -0.363 -0.363
300 2HG ARG 42 HG3 ARG 42 -13.652 1.315 1.315
301 1HD ARG 42 HD2 ARG 42 -11.833 0.369 0.369
302 2HD ARG 42 HD3 ARG 42 -12.754 -1.120 -1.120
303 HE ARG 42 HE ARG 42 -14.366 1.281 1.281
304 1HH1 ARG 42 HH22 ARG 42 -12.519 -1.380 -1.380
305 2HH1 ARG 42 HH21 ARG 42 -13.303 -1.297 -1.297
306 1HH2 ARG 42 HH12 ARG 42 -15.401 1.392 1.392
307 2HH2 ARG 42 HH11 ARG 42 -14.954 0.291 0.291
308 H ILE 43 HN ILE 43 -12.665 1.182 1.182
309 HA ILE 43 HA ILE 43 -12.797 3.859 3.859
310 HB ILE 43 HB ILE 43 -11.996 1.965 1.965
311 1HG1 ILE 43 HG12 ILE 43 -13.054 3.835 3.835
312 2HG1 ILE 43 HG13 ILE 43 -13.415 4.627 4.627
313 1HG2 ILE 43 HG22 ILE 43 -10.595 4.651 4.651
314 2HG2 ILE 43 HG23 ILE 43 -10.719 3.540 3.540
315 3HG2 ILE 43 HG21 ILE 43 -9.836 3.044 3.044
316 1HD1 ILE 43 HD12 ILE 43 -14.140 1.814 1.814
317 2HD1 ILE 43 HD13 ILE 43 -14.898 2.553 2.553
318 3HD1 ILE 43 HD11 ILE 43 -15.175 3.250 3.250
319 H GLN 44 HN GLN 44 -11.342 5.624 5.624
320 HA GLN 44 HA GLN 44 -9.022 4.917 4.917
321 1HB GLN 44 HB2 GLN 44 -10.341 7.581 7.581
322 2HB GLN 44 HB3 GLN 44 -8.870 7.458 7.458
323 1HG GLN 44 HG2 GLN 44 -11.646 6.446 6.446
324 2HG GLN 44 HG3 GLN 44 -10.621 7.529 7.529
325 1HE2 GLN 44 HE22 GLN 44 -10.140 3.432 3.432
326 2HE2 GLN 44 HE21 GLN 44 -11.076 4.224 4.224
327 H TYR 45 HN TYR 45 -7.094 6.734 6.734
328 HA TYR 45 HA TYR 45 -6.642 6.729 6.729
329 1HB TYR 45 HB2 TYR 45 -5.220 5.357 5.357
330 2HB TYR 45 HB3 TYR 45 -4.152 6.220 6.220
331 HD1 TYR 45 HD2 TYR 45 -5.895 5.717 5.717
332 HD2 TYR 45 HD1 TYR 45 -4.421 3.152 3.152
333 HE1 TYR 45 HE2 TYR 45 -5.944 3.745 3.745
334 HE2 TYR 45 HE1 TYR 45 -4.475 1.189 1.189
335 HH TYR 45 HH TYR 45 -5.077 0.492 0.492
336 H GLU 46 HN GLU 46 -7.396 9.045 9.045
337 HA GLU 46 HA GLU 46 -5.744 10.621 10.621
338 1HB GLU 46 HB2 GLU 46 -8.169 10.991 10.991
339 2HB GLU 46 HB3 GLU 46 -7.252 11.804 11.804
340 1HG GLU 46 HG2 GLU 46 -6.265 13.348 13.348
341 2HG GLU 46 HG3 GLU 46 -6.919 12.443 12.443
342 H ILE 47 HN ILE 47 -3.633 9.647 9.647
343 HA ILE 47 HA ILE 47 -2.804 10.323 10.323
344 HB ILE 47 HB ILE 47 -0.587 9.674 9.674
345 1HG1 ILE 47 HG12 ILE 47 -1.899 9.850 9.850
346 2HG1 ILE 47 HG13 ILE 47 -0.376 10.531 10.531
347 1HG2 ILE 47 HG22 ILE 47 -2.921 8.079 8.079
348 2HG2 ILE 47 HG23 ILE 47 -1.951 7.486 7.486
349 3HG2 ILE 47 HG21 ILE 47 -1.229 7.585 7.585
350 1HD1 ILE 47 HD12 ILE 47 -0.187 7.700 7.700
351 2HD1 ILE 47 HD13 ILE 47 -0.859 7.965 7.965
352 3HD1 ILE 47 HD11 ILE 47 0.697 8.702 8.702
353 H LYS 48 HN LYS 48 -0.415 11.608 11.608
354 HA LYS 48 HA LYS 48 -1.051 14.183 14.183
355 1HB LYS 48 HB2 LYS 48 -1.343 13.866 13.866
356 2HB LYS 48 HB3 LYS 48 0.398 14.065 14.065
357 1HG LYS 48 HG2 LYS 48 0.269 16.245 16.245
358 2HG LYS 48 HG3 LYS 48 -1.394 16.009 16.009
359 1HD LYS 48 HD2 LYS 48 -0.879 17.467 17.467
360 2HD LYS 48 HD3 LYS 48 -2.248 16.374 16.374
361 1HE LYS 48 HE2 LYS 48 -0.941 14.663 14.663
362 2HE LYS 48 HE3 LYS 48 0.520 15.620 15.620
363 1HZ LYS 48 HZ3 LYS 48 -1.169 17.333 17.333
364 2HZ LYS 48 HZ1 LYS 48 -1.662 15.922 15.922
365 3HZ LYS 48 HZ2 LYS 48 -0.107 16.397 16.397
366 H GLN 49 HN GLN 49 0.889 11.513 11.513
367 HA GLN 49 HA GLN 49 2.878 11.070 11.070
368 1HB GLN 49 HB2 GLN 49 2.861 11.985 11.985
369 2HB GLN 49 HB3 GLN 49 1.993 13.399 13.399
370 1HG GLN 49 HG2 GLN 49 4.112 14.175 14.175
371 2HG GLN 49 HG3 GLN 49 4.188 14.331 14.331
372 1HE2 GLN 49 HE21 GLN 49 4.560 11.607 11.607
373 2HE2 GLN 49 HE22 GLN 49 6.119 11.082 11.082
374 H ILE 50 HN ILE 50 4.862 10.951 10.951
375 HA ILE 50 HA ILE 50 5.861 13.389 13.389
376 HB ILE 50 HB ILE 50 5.772 12.612 12.612
377 1HG1 ILE 50 HG12 ILE 50 6.793 10.031 10.031
378 2HG1 ILE 50 HG13 ILE 50 7.606 11.159 11.159
379 1HG2 ILE 50 HG22 ILE 50 3.520 11.940 11.940
380 2HG2 ILE 50 HG23 ILE 50 4.103 10.274 10.274
381 3HG2 ILE 50 HG21 ILE 50 3.906 11.344 11.344
382 1HD1 ILE 50 HD13 ILE 50 5.163 9.514 9.514
383 2HD1 ILE 50 HD11 ILE 50 6.846 9.063 9.063
384 3HD1 ILE 50 HD12 ILE 50 6.148 10.541 10.541
385 H LYS 51 HN LYS 51 6.374 10.111 10.111
386 HA LYS 51 HA LYS 51 9.029 10.973 10.973
387 1HB LYS 51 HB2 LYS 51 8.823 9.512 9.512
388 2HB LYS 51 HB3 LYS 51 8.962 8.229 8.229
389 1HG LYS 51 HG2 LYS 51 11.064 9.054 9.054
390 2HG LYS 51 HG3 LYS 51 10.850 10.614 10.614
391 1HD LYS 51 HD2 LYS 51 10.692 8.890 8.890
392 2HD LYS 51 HD3 LYS 51 11.846 8.061 8.061
393 1HE LYS 51 HE2 LYS 51 13.039 10.371 10.371
394 2HE LYS 51 HE3 LYS 51 12.039 10.887 10.887
395 1HZ LYS 51 HZ2 LYS 51 12.950 8.638 8.638
396 2HZ LYS 51 HZ3 LYS 51 14.195 8.973 8.973
397 3HZ LYS 51 HZ1 LYS 51 13.768 10.043 10.043
398 H MET 52 HN MET 52 9.980 9.281 9.281
399 HA MET 52 HA MET 52 7.906 7.752 7.752
400 1HB MET 52 HB2 MET 52 8.476 8.801 8.801
401 2HB MET 52 HB3 MET 52 7.759 9.952 9.952
402 1HG MET 52 HG2 MET 52 9.589 11.280 11.280
403 2HG MET 52 HG3 MET 52 10.585 10.011 10.011
404 1HE MET 52 HE3 MET 52 12.346 11.358 11.358
405 2HE MET 52 HE1 MET 52 12.768 9.631 9.631
406 3HE MET 52 HE2 MET 52 12.909 10.510 10.510
407 H PHE 53 HN PHE 53 9.570 6.263 6.263
408 HA PHE 53 HA PHE 53 12.144 5.925 5.925
409 1HB PHE 53 HB2 PHE 53 9.774 4.020 4.020
410 2HB PHE 53 HB3 PHE 53 11.366 3.345 3.345
411 HD1 PHE 53 HD2 PHE 53 13.214 4.663 4.663
412 HD2 PHE 53 HD1 PHE 53 9.123 3.944 3.944
413 HE1 PHE 53 HE2 PHE 53 13.708 4.812 4.812
414 HE2 PHE 53 HE1 PHE 53 9.617 4.094 4.094
415 HZ PHE 53 HZ PHE 53 11.905 4.526 4.526
416 H LYS 54 HN LYS 54 9.749 3.861 3.861
417 HA LYS 54 HA LYS 54 11.297 4.395 4.395
418 1HB LYS 54 HB2 LYS 54 11.303 1.987 1.987
419 2HB LYS 54 HB3 LYS 54 10.186 1.703 1.703
420 1HG LYS 54 HG2 LYS 54 12.602 1.178 1.178
421 2HG LYS 54 HG3 LYS 54 11.844 2.310 2.310
422 1HD LYS 54 HD2 LYS 54 13.113 3.646 3.646
423 2HD LYS 54 HD3 LYS 54 14.253 2.719 2.719
424 1HE LYS 54 HE2 LYS 54 13.956 4.039 4.039
425 2HE LYS 54 HE3 LYS 54 12.301 4.450 4.450
426 1HZ LYS 54 HZ1 LYS 54 14.013 5.445 5.445
427 2HZ LYS 54 HZ2 LYS 54 14.556 5.931 5.931
428 3HZ LYS 54 HZ3 LYS 54 13.026 6.272 6.272
429 H GLY 55 HN GLY 55 9.509 6.073 6.073
430 1HA GLY 55 HA1 GLY 55 7.105 4.807 4.807
431 2HA GLY 55 HA2 GLY 55 7.015 6.205 6.205
432 HA PRO 56 HA PRO 56 7.384 7.874 7.874
433 1HB PRO 56 HB2 PRO 56 5.332 9.671 9.671
434 2HB PRO 56 HB3 PRO 56 5.137 8.052 8.052
435 1HG PRO 56 HG2 PRO 56 4.286 9.125 9.125
436 2HG PRO 56 HG3 PRO 56 3.742 7.676 7.676
437 1HD PRO 56 HD2 PRO 56 5.566 7.815 7.815
438 2HD PRO 56 HD3 PRO 56 5.112 6.378 6.378
439 H GLU 57 HN GLU 57 7.245 10.434 10.434
440 HA GLU 57 HA GLU 57 9.285 11.471 11.471
441 1HB GLU 57 HB2 GLU 57 8.285 12.998 12.998
442 2HB GLU 57 HB3 GLU 57 9.920 12.833 12.833
443 1HG GLU 57 HG2 GLU 57 9.784 10.345 10.345
444 2HG GLU 57 HG3 GLU 57 8.303 10.755 10.755
445 H LYS 58 HN LYS 58 5.899 12.070 12.070
446 HA LYS 58 HA LYS 58 5.818 14.591 14.591
447 1HB LYS 58 HB2 LYS 58 4.490 13.727 13.727
448 2HB LYS 58 HB3 LYS 58 3.363 13.149 13.149
449 1HG LYS 58 HG2 LYS 58 2.509 15.251 15.251
450 2HG LYS 58 HG3 LYS 58 3.984 15.742 15.742
451 1HD LYS 58 HD2 LYS 58 3.534 15.741 15.741
452 2HD LYS 58 HD3 LYS 58 3.537 17.159 17.159
453 1HE LYS 58 HE2 LYS 58 5.923 16.630 16.630
454 2HE LYS 58 HE3 LYS 58 5.906 15.285 15.285
455 1HZ LYS 58 HZ3 LYS 58 5.140 17.121 17.121
456 2HZ LYS 58 HZ1 LYS 58 5.859 18.130 18.130
457 3HZ LYS 58 HZ2 LYS 58 6.725 16.944 16.944
458 H ASP 59 HN ASP 59 3.621 11.734 11.734
459 HA ASP 59 HA ASP 59 4.202 10.744 10.744
460 1HB ASP 59 HB2 ASP 59 4.397 12.777 12.777
461 2HB ASP 59 HB3 ASP 59 2.993 13.486 13.486
462 H ILE 60 HN ILE 60 2.072 10.039 10.039
463 HA ILE 60 HA ILE 60 -0.004 9.616 9.616
464 HB ILE 60 HB ILE 60 0.113 8.199 8.199
465 1HG1 ILE 60 HG12 ILE 60 2.438 8.224 8.224
466 2HG1 ILE 60 HG13 ILE 60 1.736 6.636 6.636
467 1HG2 ILE 60 HG22 ILE 60 -1.587 8.058 8.058
468 2HG2 ILE 60 HG23 ILE 60 -0.440 6.748 6.748
469 3HG2 ILE 60 HG21 ILE 60 -1.316 6.757 6.757
470 1HD1 ILE 60 HD12 ILE 60 1.294 7.946 7.946
471 2HD1 ILE 60 HD13 ILE 60 2.924 7.329 7.329
472 3HD1 ILE 60 HD11 ILE 60 1.527 6.226 6.226
473 H GLU 61 HN GLU 61 -0.010 9.926 9.926
474 HA GLU 61 HA GLU 61 -1.144 11.232 11.232
475 1HB GLU 61 HB2 GLU 61 -1.074 12.827 12.827
476 2HB GLU 61 HB3 GLU 61 -2.626 13.043 13.043
477 1HG GLU 61 HG2 GLU 61 -0.839 13.126 13.126
478 2HG GLU 61 HG3 GLU 61 0.059 13.925 13.925
479 H PHE 62 HN PHE 62 -2.430 9.330 9.330
480 HA PHE 62 HA PHE 62 -4.928 9.098 9.098
481 1HB PHE 62 HB2 PHE 62 -4.482 10.258 10.258
482 2HB PHE 62 HB3 PHE 62 -5.604 8.911 8.911
483 HD1 PHE 62 HD1 PHE 62 -7.654 8.995 8.995
484 HD2 PHE 62 HD2 PHE 62 -5.177 12.372 12.372
485 HE1 PHE 62 HE1 PHE 62 -9.508 10.508 10.508
486 HE2 PHE 62 HE2 PHE 62 -7.030 13.884 13.884
487 HZ PHE 62 HZ PHE 62 -9.173 12.934 12.934
488 H ILE 63 HN ILE 63 -4.425 7.006 7.006
489 HA ILE 63 HA ILE 63 -3.787 5.095 5.095
490 HB ILE 63 HB ILE 63 -3.501 4.457 4.457
491 1HG1 ILE 63 HG12 ILE 63 -2.406 6.803 6.803
492 2HG1 ILE 63 HG13 ILE 63 -1.811 5.853 5.853
493 1HG2 ILE 63 HG21 ILE 63 -2.239 3.607 3.607
494 2HG2 ILE 63 HG22 ILE 63 -1.415 3.322 3.322
495 3HG2 ILE 63 HG23 ILE 63 -3.025 2.623 2.623
496 1HD1 ILE 63 HD12 ILE 63 -0.919 5.314 5.314
497 2HD1 ILE 63 HD13 ILE 63 -0.088 6.482 6.482
498 3HD1 ILE 63 HD11 ILE 63 -0.153 4.764 4.764
499 H TYR 64 HN TYR 64 -4.720 2.796 2.796
500 HA TYR 64 HA TYR 64 -7.495 3.168 3.168
501 1HB TYR 64 HB2 TYR 64 -6.167 1.591 1.591
502 2HB TYR 64 HB3 TYR 64 -7.806 1.237 1.237
503 HD1 TYR 64 HD1 TYR 64 -5.849 4.358 4.358
504 HD2 TYR 64 HD2 TYR 64 -9.426 2.096 2.096
505 HE1 TYR 64 HE1 TYR 64 -6.730 6.169 6.169
506 HE2 TYR 64 HE2 TYR 64 -10.293 3.914 3.914
507 HH TYR 64 HH TYR 64 -9.888 6.421 6.421
508 H THR 65 HN THR 65 -8.526 1.243 1.243
509 HA THR 65 HA THR 65 -7.105 -1.125 -1.125
510 HB THR 65 HB THR 65 -5.699 0.381 0.381
511 HG1 THR 65 HG1 THR 65 -6.265 -0.890 -0.890
512 1HG2 THR 65 HG23 THR 65 -8.425 1.109 1.109
513 2HG2 THR 65 HG21 THR 65 -7.048 1.026 1.026
514 3HG2 THR 65 HG22 THR 65 -7.004 2.150 2.150
515 H ALA 66 HN ALA 66 -8.250 -1.889 -1.889
516 HA ALA 66 HA ALA 66 -11.067 -1.871 -1.871
517 1HB ALA 66 HB3 ALA 66 -9.197 -3.892 -3.892
518 2HB ALA 66 HB1 ALA 66 -10.561 -3.804 -3.804
519 3HB ALA 66 HB2 ALA 66 -10.864 -4.089 -4.089
520 HA PRO 67 HA PRO 67 -12.118 0.285 0.285
521 1HB PRO 67 HB2 PRO 67 -14.664 -0.584 -0.584
522 2HB PRO 67 HB3 PRO 67 -14.275 0.624 0.624
523 1HG PRO 67 HG2 PRO 67 -14.993 -2.218 -2.218
524 2HG PRO 67 HG3 PRO 67 -15.018 -0.911 -0.911
525 1HD PRO 67 HD2 PRO 67 -13.045 -2.982 -2.982
526 2HD PRO 67 HD3 PRO 67 -13.010 -1.610 -1.610
527 H SER 68 HN SER 68 -13.666 -0.250 -0.250
528 HA SER 68 HA SER 68 -13.524 -1.152 -1.152
529 1HB SER 68 HB2 SER 68 -13.333 -3.449 -3.449
530 2HB SER 68 HB3 SER 68 -12.569 -3.780 -3.780
531 HG SER 68 HG SER 68 -14.483 -3.574 -3.574
532 H SER 69 HN SER 69 -11.794 -2.888 -2.888
533 HA SER 69 HA SER 69 -9.613 -1.315 -1.315
534 1HB SER 69 HB2 SER 69 -10.695 -3.579 -3.579
535 2HB SER 69 HB3 SER 69 -9.197 -4.217 -4.217
536 HG SER 69 HG SER 69 -8.477 -1.927 -1.927
537 H ALA 70 HN ALA 70 -10.132 -3.964 -3.964
538 HA ALA 70 HA ALA 70 -8.530 -3.365 -3.365
539 1HB ALA 70 HB1 ALA 70 -6.799 -4.131 -4.131
540 2HB ALA 70 HB2 ALA 70 -6.287 -4.602 -4.602
541 3HB ALA 70 HB3 ALA 70 -6.542 -2.885 -2.885
542 H VAL 71 HN VAL 71 -9.533 -4.807 -4.807
543 HA VAL 71 HA VAL 71 -9.510 -7.613 -7.613
544 HB VAL 71 HB VAL 71 -11.644 -7.849 -7.849
545 1HG1 VAL 71 HG12 VAL 71 -11.546 -4.817 -4.817
546 2HG1 VAL 71 HG13 VAL 71 -13.020 -5.808 -5.808
547 3HG1 VAL 71 HG11 VAL 71 -11.757 -5.939 -5.939
548 1HG2 VAL 71 HG21 VAL 71 -10.970 -6.028 -6.028
549 2HG2 VAL 71 HG22 VAL 71 -11.446 -7.743 -7.743
550 3HG2 VAL 71 HG23 VAL 71 -12.653 -6.490 -6.490
551 H CYS 72 HN CYS 72 -8.997 -5.241 -5.241
552 HA CYS 72 HA CYS 72 -7.577 -7.366 -7.366
553 1HB CYS 72 HB2 CYS 72 -9.068 -5.156 -5.156
554 2HB CYS 72 HB3 CYS 72 -8.341 -6.590 -6.590
555 H GLY 73 HN GLY 73 -6.988 -5.037 -5.037
556 1HA GLY 73 HA1 GLY 73 -4.630 -4.089 -4.089
557 2HA GLY 73 HA2 GLY 73 -5.820 -2.845 -2.845
558 H VAL 74 HN VAL 74 -4.361 -1.789 -1.789
559 HA VAL 74 HA VAL 74 -4.063 -3.272 -3.272
560 HB VAL 74 HB VAL 74 -2.298 -1.123 -1.123
561 1HG1 VAL 74 HG12 VAL 74 -2.228 -2.570 -2.570
562 2HG1 VAL 74 HG13 VAL 74 -0.781 -1.816 -1.816
563 3HG1 VAL 74 HG11 VAL 74 -2.202 -0.819 -0.819
564 1HG2 VAL 74 HG22 VAL 74 -2.283 -3.569 -3.569
565 2HG2 VAL 74 HG23 VAL 74 -0.745 -2.757 -2.757
566 3HG2 VAL 74 HG21 VAL 74 -1.426 -3.942 -3.942
567 H SER 75 HN SER 75 -5.897 -1.002 -1.002
568 HA SER 75 HA SER 75 -6.875 0.905 0.905
569 1HB SER 75 HB2 SER 75 -8.686 0.158 0.158
570 2HB SER 75 HB3 SER 75 -7.795 -1.312 -1.312
571 HG SER 75 HG SER 75 -8.450 0.821 0.821
572 H LEU 76 HN LEU 76 -5.077 2.381 2.381
573 HA LEU 76 HA LEU 76 -4.217 2.757 2.757
574 1HB LEU 76 HB2 LEU 76 -2.779 4.128 4.128
575 2HB LEU 76 HB3 LEU 76 -2.173 3.350 3.350
576 HG LEU 76 HG LEU 76 -3.062 1.193 1.193
577 1HD1 LEU 76 HD12 LEU 76 -3.043 3.274 3.274
578 2HD1 LEU 76 HD13 LEU 76 -1.519 2.402 2.402
579 3HD1 LEU 76 HD11 LEU 76 -3.070 1.529 1.529
580 1HD2 LEU 76 HD23 LEU 76 -0.610 2.263 2.263
581 2HD2 LEU 76 HD21 LEU 76 -1.004 0.578 0.578
582 3HD2 LEU 76 HD22 LEU 76 -0.333 1.667 1.667
583 H ASP 77 HN ASP 77 -4.654 4.655 4.655
584 HA ASP 77 HA ASP 77 -6.026 6.662 6.662
585 1HB ASP 77 HB2 ASP 77 -7.171 7.227 7.227
586 2HB ASP 77 HB3 ASP 77 -7.723 5.808 5.808
587 H VAL 78 HN VAL 78 -3.206 5.903 5.903
588 HA VAL 78 HA VAL 78 -1.485 7.101 7.101
589 HB VAL 78 HB VAL 78 -3.244 9.189 9.189
590 1HG1 VAL 78 HG12 VAL 78 -1.236 9.755 9.755
591 2HG1 VAL 78 HG13 VAL 78 -1.377 10.886 10.886
592 3HG1 VAL 78 HG11 VAL 78 -2.793 10.542 10.542
593 1HG2 VAL 78 HG23 VAL 78 -1.002 7.751 7.751
594 2HG2 VAL 78 HG21 VAL 78 -1.701 9.170 9.170
595 3HG2 VAL 78 HG22 VAL 78 -0.367 9.377 9.377
596 H GLY 79 HN GLY 79 -4.527 8.744 8.744
597 1HA GLY 79 HA1 GLY 79 -3.622 9.501 9.501
598 2HA GLY 79 HA2 GLY 79 -5.288 9.160 9.160
599 H GLY 80 HN GLY 80 -3.939 6.309 6.309
600 1HA GLY 80 HA1 GLY 80 -4.162 5.215 5.215
601 2HA GLY 80 HA2 GLY 80 -4.783 4.422 4.422
602 H LYS 81 HN LYS 81 -2.284 5.537 5.537
603 HA LYS 81 HA LYS 81 -0.364 3.611 3.611
604 1HB LYS 81 HB2 LYS 81 0.018 3.772 3.772
605 2HB LYS 81 HB3 LYS 81 -0.499 2.394 2.394
606 1HG LYS 81 HG2 LYS 81 -2.462 4.556 4.556
607 2HG LYS 81 HG3 LYS 81 -2.075 3.204 3.204
608 1HD LYS 81 HD2 LYS 81 -3.162 1.656 1.656
609 2HD LYS 81 HD3 LYS 81 -2.791 2.518 2.518
610 1HE LYS 81 HE2 LYS 81 -4.955 3.232 3.232
611 2HE LYS 81 HE3 LYS 81 -4.448 4.329 4.329
612 1HZ LYS 81 HZ2 LYS 81 -4.855 1.907 1.907
613 2HZ LYS 81 HZ3 LYS 81 -6.119 2.090 2.090
614 3HZ LYS 81 HZ1 LYS 81 -5.805 3.230 3.230
615 H LYS 82 HN LYS 82 0.057 5.615 5.615
616 HA LYS 82 HA LYS 82 1.026 7.926 7.926
617 1HB LYS 82 HB2 LYS 82 3.554 7.445 7.445
618 2HB LYS 82 HB3 LYS 82 2.596 7.046 7.046
619 1HG LYS 82 HG2 LYS 82 2.505 4.756 4.756
620 2HG LYS 82 HG3 LYS 82 4.177 5.280 5.280
621 1HD LYS 82 HD2 LYS 82 4.413 4.397 4.397
622 2HD LYS 82 HD3 LYS 82 3.152 5.450 5.450
623 1HE LYS 82 HE2 LYS 82 1.587 3.777 3.777
624 2HE LYS 82 HE3 LYS 82 2.074 3.188 3.188
625 1HZ LYS 82 HZ3 LYS 82 4.144 2.599 2.599
626 2HZ LYS 82 HZ1 LYS 82 2.801 2.224 2.224
627 3HZ LYS 82 HZ2 LYS 82 3.055 1.549 1.549
628 H GLU 83 HN GLU 83 3.235 5.779 5.779
629 HA GLU 83 HA GLU 83 2.094 6.725 6.725
630 1HB GLU 83 HB2 GLU 83 5.057 7.182 7.182
631 2HB GLU 83 HB3 GLU 83 4.089 7.771 7.771
632 1HG GLU 83 HG2 GLU 83 4.265 9.671 9.671
633 2HG GLU 83 HG3 GLU 83 2.687 9.032 9.032
634 H TYR 84 HN TYR 84 2.768 5.440 5.440
635 HA TYR 84 HA TYR 84 4.332 3.061 3.061
636 1HB TYR 84 HB2 TYR 84 2.609 1.841 1.841
637 2HB TYR 84 HB3 TYR 84 1.910 2.514 2.514
638 HD1 TYR 84 HD2 TYR 84 2.604 3.627 3.627
639 HD2 TYR 84 HD1 TYR 84 -0.125 3.592 3.592
640 HE1 TYR 84 HE2 TYR 84 0.895 4.893 4.893
641 HE2 TYR 84 HE1 TYR 84 -1.826 4.857 4.857
642 HH TYR 84 HH TYR 84 -2.045 4.952 4.952
643 H LEU 85 HN LEU 85 5.428 2.021 2.021
644 HA LEU 85 HA LEU 85 6.203 3.962 3.962
645 1HB LEU 85 HB2 LEU 85 7.865 2.229 2.229
646 2HB LEU 85 HB3 LEU 85 7.964 2.794 2.794
647 HG LEU 85 HG LEU 85 8.202 0.253 0.253
648 1HD1 LEU 85 HD11 LEU 85 7.440 1.721 1.721
649 2HD1 LEU 85 HD12 LEU 85 6.432 0.253 0.253
650 3HD1 LEU 85 HD13 LEU 85 8.206 0.116 0.116
651 1HD2 LEU 85 HD22 LEU 85 5.187 0.544 0.544
652 2HD2 LEU 85 HD23 LEU 85 6.169 0.000 0.000
653 3HD2 LEU 85 HD21 LEU 85 6.080 -0.992 -0.992
654 H ILE 86 HN ILE 86 3.551 2.077 2.077
655 HA ILE 86 HA ILE 86 2.621 0.522 0.522
656 HB ILE 86 HB ILE 86 2.033 3.337 3.337
657 1HG1 ILE 86 HG12 ILE 86 -0.231 2.575 2.575
658 2HG1 ILE 86 HG13 ILE 86 0.184 0.990 0.990
659 1HG2 ILE 86 HG21 ILE 86 1.764 1.827 1.827
660 2HG2 ILE 86 HG22 ILE 86 0.602 3.102 3.102
661 3HG2 ILE 86 HG23 ILE 86 2.334 3.488 3.488
662 1HD1 ILE 86 HD12 ILE 86 1.848 1.599 1.599
663 2HD1 ILE 86 HD13 ILE 86 0.126 1.805 1.805
664 3HD1 ILE 86 HD11 ILE 86 0.709 0.251 0.251
665 H ALA 87 HN ALA 87 3.742 -0.856 -0.856
666 HA ALA 87 HA ALA 87 4.810 0.309 0.309
667 1HB ALA 87 HB2 ALA 87 6.226 -1.076 -1.076
668 2HB ALA 87 HB3 ALA 87 6.395 -1.928 -1.928
669 3HB ALA 87 HB1 ALA 87 6.875 -0.219 -0.219
670 H GLY 88 HN GLY 88 3.491 -0.430 -0.430
671 1HA GLY 88 HA1 GLY 88 2.981 -3.312 -3.312
672 2HA GLY 88 HA2 GLY 88 1.596 -2.240 -2.240
673 H LYS 89 HN LYS 89 1.849 -3.831 -3.831
674 HA LYS 89 HA LYS 89 3.379 -3.169 -3.169
675 1HB LYS 89 HB2 LYS 89 1.411 -4.837 -4.837
676 2HB LYS 89 HB3 LYS 89 0.403 -3.525 -3.525
677 1HG LYS 89 HG2 LYS 89 1.204 -3.680 -3.680
678 2HG LYS 89 HG3 LYS 89 2.865 -3.850 -3.850
679 1HD LYS 89 HD2 LYS 89 1.984 -6.275 -6.275
680 2HD LYS 89 HD3 LYS 89 0.786 -5.985 -5.985
681 1HE LYS 89 HE2 LYS 89 3.475 -5.273 -5.273
682 2HE LYS 89 HE3 LYS 89 3.427 -6.931 -6.931
683 1HZ LYS 89 HZ1 LYS 89 1.153 -6.259 -6.259
684 2HZ LYS 89 HZ2 LYS 89 2.541 -6.051 -6.051
685 3HZ LYS 89 HZ3 LYS 89 2.196 -7.503 -7.503
686 H ALA 90 HN ALA 90 0.742 -1.215 -1.215
687 HA ALA 90 HA ALA 90 0.458 1.003 1.003
688 1HB ALA 90 HB1 ALA 90 3.007 0.756 0.756
689 2HB ALA 90 HB2 ALA 90 2.109 1.550 1.550
690 3HB ALA 90 HB3 ALA 90 2.156 2.289 2.289
691 H GLU 91 HN GLU 91 -0.323 2.662 2.662
692 HA GLU 91 HA GLU 91 -1.691 1.075 1.075
693 1HB GLU 91 HB2 GLU 91 -3.091 1.740 1.740
694 2HB GLU 91 HB3 GLU 91 -3.174 3.312 3.312
695 1HG GLU 91 HG2 GLU 91 -5.123 1.889 1.889
696 2HG GLU 91 HG3 GLU 91 -4.175 2.327 2.327
697 H GLY 92 HN GLY 92 0.571 3.315 3.315
698 1HA GLY 92 HA1 GLY 92 1.217 4.393 4.393
699 2HA GLY 92 HA2 GLY 92 -0.370 5.135 5.135
700 H ASP 93 HN ASP 93 -0.298 7.239 7.239
701 HA ASP 93 HA ASP 93 1.503 7.840 7.840
702 1HB ASP 93 HB2 ASP 93 1.070 9.282 9.282
703 2HB ASP 93 HB3 ASP 93 1.486 10.226 10.226
704 H GLY 94 HN GLY 94 0.632 9.409 9.409
705 1HA GLY 94 HA1 GLY 94 -0.914 10.744 10.744
706 2HA GLY 94 HA2 GLY 94 -1.804 10.817 10.817
707 H LYS 95 HN LYS 95 -1.248 7.552 7.552
708 HA LYS 95 HA LYS 95 -3.024 6.912 6.912
709 1HB LYS 95 HB2 LYS 95 -5.073 6.517 6.517
710 2HB LYS 95 HB3 LYS 95 -4.588 8.044 8.044
711 1HG LYS 95 HG2 LYS 95 -4.067 5.340 5.340
712 2HG LYS 95 HG3 LYS 95 -5.476 6.326 6.326
713 1HD LYS 95 HD2 LYS 95 -2.572 7.191 7.191
714 2HD LYS 95 HD3 LYS 95 -3.668 6.697 6.697
715 1HE LYS 95 HE2 LYS 95 -3.967 9.138 9.138
716 2HE LYS 95 HE3 LYS 95 -3.603 9.147 9.147
717 1HZ LYS 95 HZ1 LYS 95 -5.773 7.988 7.988
718 2HZ LYS 95 HZ2 LYS 95 -6.105 8.309 8.309
719 3HZ LYS 95 HZ3 LYS 95 -5.882 9.535 9.535
720 H MET 96 HN MET 96 -3.002 4.672 4.672
721 HA MET 96 HA MET 96 -1.892 3.020 3.020
722 1HB MET 96 HB2 MET 96 -0.372 2.096 2.096
723 2HB MET 96 HB3 MET 96 0.199 3.351 3.351
724 1HG MET 96 HG2 MET 96 0.143 4.945 4.945
725 2HG MET 96 HG3 MET 96 -1.452 4.458 4.458
726 1HE MET 96 HE2 MET 96 1.979 4.695 4.695
727 2HE MET 96 HE3 MET 96 1.790 4.819 4.819
728 3HE MET 96 HE1 MET 96 2.628 3.418 3.418
729 H HIS 97 HN HIS 97 -1.441 0.675 0.675
730 HA HIS 97 HA HIS 97 -3.999 0.272 0.272
731 1HB HIS 97 HB2 HIS 97 -3.056 -0.927 -0.927
732 2HB HIS 97 HB3 HIS 97 -3.316 -2.158 -2.158
733 HD1 HIS 97 HD1 HIS 97 -5.372 -3.003 -3.003
734 HD2 HIS 97 HD2 HIS 97 -5.782 0.851 0.851
735 HE1 HIS 97 HE1 HIS 97 -7.842 -2.398 -2.398
736 H ILE 98 HN ILE 98 -3.842 -0.735 -0.735
737 HA ILE 98 HA ILE 98 -1.438 -2.285 -2.285
738 HB ILE 98 HB ILE 98 -1.020 -1.123 -1.123
739 1HG1 ILE 98 HG12 ILE 98 -3.353 0.599 0.599
740 2HG1 ILE 98 HG13 ILE 98 -3.138 -0.289 -0.289
741 1HG2 ILE 98 HG22 ILE 98 -0.135 -0.395 -0.395
742 2HG2 ILE 98 HG23 ILE 98 -1.027 1.095 1.095
743 3HG2 ILE 98 HG21 ILE 98 0.266 0.522 0.522
744 1HD1 ILE 98 HD11 ILE 98 -1.036 1.749 1.749
745 2HD1 ILE 98 HD12 ILE 98 -2.640 2.360 2.360
746 3HD1 ILE 98 HD13 ILE 98 -1.730 1.304 1.304
747 H THR 99 HN THR 99 -1.797 -4.015 -4.015
748 HA THR 99 HA THR 99 -4.406 -4.126 -4.126
749 HB THR 99 HB THR 99 -4.442 -6.592 -6.592
750 HG1 THR 99 HG1 THR 99 -2.744 -6.865 -6.865
751 1HG2 THR 99 HG22 THR 99 -4.961 -4.079 -4.079
752 2HG2 THR 99 HG23 THR 99 -5.271 -5.701 -5.701
753 3HG2 THR 99 HG21 THR 99 -6.153 -5.147 -5.147
754 H LEU 100 HN LEU 100 -4.522 -5.974 -5.974
755 HA LEU 100 HA LEU 100 -2.296 -5.816 -5.816
756 1HB LEU 100 HB2 LEU 100 -3.569 -6.941 -6.941
757 2HB LEU 100 HB3 LEU 100 -4.816 -6.310 -6.310
758 HG LEU 100 HG LEU 100 -3.831 -8.979 -8.979
759 1HD1 LEU 100 HD11 LEU 100 -3.655 -9.173 -9.173
760 2HD1 LEU 100 HD12 LEU 100 -5.354 -8.664 -8.664
761 3HD1 LEU 100 HD13 LEU 100 -4.955 -10.193 -10.193
762 1HD2 LEU 100 HD23 LEU 100 -6.530 -7.668 -7.668
763 2HD2 LEU 100 HD21 LEU 100 -5.704 -8.115 -8.115
764 3HD2 LEU 100 HD22 LEU 100 -6.329 -9.384 -9.384
765 H CYS 101 HN CYS 101 -3.179 -7.987 -7.987
766 HA CYS 101 HA CYS 101 -1.347 -10.020 -10.020
767 1HB CYS 101 HB2 CYS 101 -1.966 -10.080 -10.080
768 2HB CYS 101 HB3 CYS 101 -2.401 -11.209 -11.209
769 H ASP 102 HN ASP 102 -1.320 -6.997 -6.997
770 HA ASP 102 HA ASP 102 1.131 -7.603 -7.603
771 1HB ASP 102 HB2 ASP 102 -0.852 -5.914 -5.914
772 2HB ASP 102 HB3 ASP 102 0.072 -4.793 -4.793
773 H PHE 103 HN PHE 103 2.991 -5.807 -5.807
774 HA PHE 103 HA PHE 103 3.809 -5.928 -5.928
775 1HB PHE 103 HB2 PHE 103 5.462 -5.986 -5.986
776 2HB PHE 103 HB3 PHE 103 4.729 -4.626 -4.626
777 HD1 PHE 103 HD2 PHE 103 5.136 -4.334 -4.334
778 HD2 PHE 103 HD1 PHE 103 7.001 -3.646 -3.646
779 HE1 PHE 103 HE2 PHE 103 6.775 -2.783 -2.783
780 HE2 PHE 103 HE1 PHE 103 8.639 -2.096 -2.096
781 HZ PHE 103 HZ PHE 103 8.507 -1.682 -1.682
782 H ILE 104 HN ILE 104 3.182 -4.606 -4.606
783 HA ILE 104 HA ILE 104 3.176 -1.793 -1.793
784 HB ILE 104 HB ILE 104 0.708 -1.641 -1.641
785 1HG1 ILE 104 HG12 ILE 104 0.610 -4.284 -4.284
786 2HG1 ILE 104 HG13 ILE 104 0.422 -4.103 -4.103
787 1HG2 ILE 104 HG22 ILE 104 1.993 -1.186 -1.186
788 2HG2 ILE 104 HG23 ILE 104 0.737 -2.337 -2.337
789 3HG2 ILE 104 HG21 ILE 104 0.277 -0.825 -0.825
790 1HD1 ILE 104 HD12 ILE 104 -1.486 -2.439 -2.439
791 2HD1 ILE 104 HD13 ILE 104 -1.392 -3.030 -3.030
792 3HD1 ILE 104 HD11 ILE 104 -1.804 -4.153 -4.153
793 H VAL 105 HN VAL 105 3.659 -0.842 -0.842
794 HA VAL 105 HA VAL 105 2.875 -2.135 -2.135
795 HB VAL 105 HB VAL 105 5.581 -1.782 -1.782
796 1HG1 VAL 105 HG11 VAL 105 3.657 -4.007 -4.007
797 2HG1 VAL 105 HG12 VAL 105 5.356 -4.489 -4.489
798 3HG1 VAL 105 HG13 VAL 105 4.860 -3.628 -3.628
799 1HG2 VAL 105 HG23 VAL 105 5.180 -3.090 -3.090
800 2HG2 VAL 105 HG21 VAL 105 6.116 -1.619 -1.619
801 3HG2 VAL 105 HG22 VAL 105 6.672 -3.199 -3.199
802 HA PRO 106 HA PRO 106 3.050 1.989 1.989
803 1HB PRO 106 HB2 PRO 106 3.342 1.769 1.769
804 2HB PRO 106 HB3 PRO 106 1.808 1.553 1.553
805 1HG PRO 106 HG2 PRO 106 3.595 -0.497 -0.497
806 2HG PRO 106 HG3 PRO 106 1.901 -0.633 -0.633
807 1HD PRO 106 HD2 PRO 106 4.134 -1.662 -1.662
808 2HD PRO 106 HD3 PRO 106 2.451 -1.696 -1.696
809 H TRP 107 HN TRP 107 5.693 0.275 0.275
810 HA TRP 107 HA TRP 107 7.822 0.888 0.888
811 1HB TRP 107 HB2 TRP 107 6.759 3.185 3.185
812 2HB TRP 107 HB3 TRP 107 7.234 3.616 3.616
813 HD1 TRP 107 HD1 TRP 107 9.239 1.781 1.781
814 HE1 TRP 107 HE1 TRP 107 11.601 2.913 2.913
815 HE3 TRP 107 HE3 TRP 107 8.571 5.411 5.411
816 HZ2 TRP 107 HZ2 TRP 107 12.895 5.147 5.147
817 HZ3 TRP 107 HZ3 TRP 107 10.433 7.027 7.027
818 HH2 TRP 107 HH2 TRP 107 12.538 6.937 6.937
819 H ASP 108 HN ASP 108 6.374 2.460 2.460
820 HA ASP 108 HA ASP 108 8.614 1.905 1.905
821 1HB ASP 108 HB2 ASP 108 6.943 3.674 3.674
822 2HB ASP 108 HB3 ASP 108 5.712 2.454 2.454
823 H THR 109 HN THR 109 8.184 -0.519 -0.519
824 HA THR 109 HA THR 109 7.594 -2.243 -2.243
825 HB THR 109 HB THR 109 5.812 -3.493 -3.493
826 HG1 THR 109 HG1 THR 109 5.996 -0.841 -0.841
827 1HG2 THR 109 HG22 THR 109 5.236 -1.869 -1.869
828 2HG2 THR 109 HG23 THR 109 5.026 -0.618 -0.618
829 3HG2 THR 109 HG21 THR 109 3.980 -2.057 -2.057
830 H LEU 110 HN LEU 110 7.920 -2.160 -2.160
831 HA LEU 110 HA LEU 110 8.829 -4.059 -4.059
832 1HB LEU 110 HB2 LEU 110 11.056 -2.200 -2.200
833 2HB LEU 110 HB3 LEU 110 11.054 -3.253 -3.253
834 HG LEU 110 HG LEU 110 9.083 -0.989 -0.989
835 1HD1 LEU 110 HD13 LEU 110 11.559 -0.338 -0.338
836 2HD1 LEU 110 HD11 LEU 110 11.443 -0.907 -0.907
837 3HD1 LEU 110 HD12 LEU 110 10.405 0.425 0.425
838 1HD2 LEU 110 HD22 LEU 110 9.003 -3.173 -3.173
839 2HD2 LEU 110 HD23 LEU 110 8.047 -1.676 -1.676
840 3HD2 LEU 110 HD21 LEU 110 9.581 -1.817 -1.817
841 H SER 111 HN SER 111 11.859 -3.627 -3.627
842 HA SER 111 HA SER 111 12.005 -5.021 -5.021
843 1HB SER 111 HB2 SER 111 11.113 -6.937 -6.937
844 2HB SER 111 HB3 SER 111 12.303 -7.521 -7.521
845 HG SER 111 HG SER 111 10.832 -6.852 -6.852
846 H THR 112 HN THR 112 13.031 -5.284 -5.284
847 HA THR 112 HA THR 112 15.489 -4.301 -4.301
848 HB THR 112 HB THR 112 15.380 -6.929 -6.929
849 HG1 THR 112 HG1 THR 112 17.295 -5.794 -5.794
850 1HG2 THR 112 HG21 THR 112 17.611 -6.207 -6.207
851 2HG2 THR 112 HG22 THR 112 17.780 -7.404 -7.404
852 3HG2 THR 112 HG23 THR 112 16.627 -7.689 -7.689
853 H THR 113 HN THR 113 14.396 -7.625 -7.625
854 HA THR 113 HA THR 113 15.608 -7.611 -7.611
855 HB THR 113 HB THR 113 13.043 -8.922 -8.922
856 HG1 THR 113 HG1 THR 113 14.909 -9.664 -9.664
857 1HG2 THR 113 HG22 THR 113 13.248 -8.931 -8.931
858 2HG2 THR 113 HG23 THR 113 14.793 -9.787 -9.787
859 3HG2 THR 113 HG21 THR 113 13.277 -10.540 -10.540
860 H GLN 114 HN GLN 114 12.781 -5.827 -5.827
861 HA GLN 114 HA GLN 114 11.921 -5.355 -5.355
862 1HB GLN 114 HB2 GLN 114 10.961 -4.611 -4.611
863 2HB GLN 114 HB3 GLN 114 10.437 -3.610 -3.610
864 1HG GLN 114 HG2 GLN 114 8.763 -5.194 -5.194
865 2HG GLN 114 HG3 GLN 114 9.945 -6.023 -6.023
866 1HE2 GLN 114 HE22 GLN 114 11.033 -8.253 -8.253
867 2HE2 GLN 114 HE21 GLN 114 11.685 -7.187 -7.187
868 H LYS 115 HN LYS 115 13.868 -3.779 -3.779
869 HA LYS 115 HA LYS 115 13.881 -1.228 -1.228
870 1HB LYS 115 HB2 LYS 115 14.974 -2.483 -2.483
871 2HB LYS 115 HB3 LYS 115 16.103 -1.366 -1.366
872 1HG LYS 115 HG2 LYS 115 14.733 0.484 0.484
873 2HG LYS 115 HG3 LYS 115 13.253 -0.443 -0.443
874 1HD LYS 115 HD2 LYS 115 15.115 -0.307 -0.307
875 2HD LYS 115 HD3 LYS 115 13.442 0.208 0.208
876 1HE LYS 115 HE2 LYS 115 12.942 -2.312 -2.312
877 2HE LYS 115 HE3 LYS 115 14.540 -2.624 -2.624
878 1HZ LYS 115 HZ3 LYS 115 13.602 -1.164 -1.164
879 2HZ LYS 115 HZ1 LYS 115 12.165 -1.704 -1.704
880 3HZ LYS 115 HZ2 LYS 115 13.303 -2.768 -2.768
881 H LYS 116 HN LYS 116 16.017 -4.128 -4.128
882 HA LYS 116 HA LYS 116 18.068 -2.938 -2.938
883 1HB LYS 116 HB2 LYS 116 18.997 -5.091 -5.091
884 2HB LYS 116 HB3 LYS 116 18.155 -5.045 -5.045
885 1HG LYS 116 HG2 LYS 116 16.937 -6.850 -6.850
886 2HG LYS 116 HG3 LYS 116 16.231 -5.917 -5.917
887 1HD LYS 116 HD2 LYS 116 18.742 -6.522 -6.522
888 2HD LYS 116 HD3 LYS 116 18.387 -7.958 -7.958
889 1HE LYS 116 HE2 LYS 116 16.177 -8.169 -8.169
890 2HE LYS 116 HE3 LYS 116 16.545 -6.742 -6.742
891 1HZ LYS 116 HZ2 LYS 116 18.210 -9.164 -9.164
892 2HZ LYS 116 HZ3 LYS 116 17.087 -8.830 -8.830
893 3HZ LYS 116 HZ1 LYS 116 18.395 -7.865 -7.865
894 H SER 117 HN SER 117 14.837 -3.720 -3.720
895 HA SER 117 HA SER 117 15.529 -4.155 -4.155
896 1HB SER 117 HB2 SER 117 13.553 -5.244 -5.244
897 2HB SER 117 HB3 SER 117 12.659 -4.072 -4.072
898 HG SER 117 HG SER 117 14.488 -5.721 -5.721
899 H LEU 118 HN LEU 118 14.503 -1.707 -1.707
900 HA LEU 118 HA LEU 118 13.060 -0.094 -0.094
901 1HB LEU 118 HB2 LEU 118 14.179 0.216 0.216
902 2HB LEU 118 HB3 LEU 118 13.700 1.652 1.652
903 HG LEU 118 HG LEU 118 11.668 -0.475 -0.475
904 1HD1 LEU 118 HD11 LEU 118 12.845 0.432 0.432
905 2HD1 LEU 118 HD12 LEU 118 11.069 0.378 0.378
906 3HD1 LEU 118 HD13 LEU 118 12.024 -1.089 -1.089
907 1HD2 LEU 118 HD23 LEU 118 11.859 2.420 2.420
908 2HD2 LEU 118 HD21 LEU 118 10.547 1.348 1.348
909 3HD2 LEU 118 HD22 LEU 118 10.625 1.864 1.864
910 H ASN 119 HN ASN 119 16.461 -0.670 -0.670
911 HA ASN 119 HA ASN 119 17.215 1.754 1.754
912 1HB ASN 119 HB2 ASN 119 19.477 1.219 1.219
913 2HB ASN 119 HB3 ASN 119 18.442 0.831 0.831
914 1HD2 ASN 119 HD22 ASN 119 19.116 -2.574 -2.574
915 2HD2 ASN 119 HD21 ASN 119 18.266 -1.206 -1.206
916 H HIS 120 HN HIS 120 16.736 -1.697 -1.697
917 HA HIS 120 HA HIS 120 18.410 -1.781 -1.781
918 1HB HIS 120 HB2 HIS 120 17.179 -3.671 -3.671
919 2HB HIS 120 HB3 HIS 120 16.737 -4.066 -4.066
920 HD1 HIS 120 HD1 HIS 120 20.096 -2.488 -2.488
921 HD2 HIS 120 HD2 HIS 120 18.471 -6.320 -6.320
922 HE1 HIS 120 HE1 HIS 120 22.069 -4.052 -4.052
923 H ARG 121 HN ARG 121 16.679 0.307 0.307
924 HA ARG 121 HA ARG 121 15.180 1.144 1.144
925 1HB ARG 121 HB2 ARG 121 15.777 -1.406 -1.406
926 2HB ARG 121 HB3 ARG 121 14.670 -0.198 -0.198
927 1HG ARG 121 HG2 ARG 121 17.556 0.376 0.376
928 2HG ARG 121 HG3 ARG 121 17.040 0.082 0.082
929 1HD ARG 121 HD2 ARG 121 15.256 2.052 2.052
930 2HD ARG 121 HD3 ARG 121 16.646 2.503 2.503
931 HE ARG 121 HE ARG 121 16.426 2.672 2.672
932 1HH1 ARG 121 HH22 ARG 121 18.703 2.288 2.288
933 2HH1 ARG 121 HH21 ARG 121 20.047 2.918 2.918
934 1HH2 ARG 121 HH12 ARG 121 18.199 3.502 3.502
935 2HH2 ARG 121 HH11 ARG 121 19.758 3.614 3.614
936 H TYR 122 HN TYR 122 13.820 -1.723 -1.723
937 HA TYR 122 HA TYR 122 11.833 -2.053 -2.053
938 1HB TYR 122 HB2 TYR 122 10.022 -1.504 -1.504
939 2HB TYR 122 HB3 TYR 122 11.155 -0.168 -0.168
940 HD1 TYR 122 HD1 TYR 122 12.666 0.138 0.138
941 HD2 TYR 122 HD2 TYR 122 9.703 -2.946 -2.946
942 HE1 TYR 122 HE1 TYR 122 12.892 -0.144 -0.144
943 HE2 TYR 122 HE2 TYR 122 9.938 -3.218 -3.218
944 HH TYR 122 HH TYR 122 10.886 -1.253 -1.253
945 H GLN 123 HN GLN 123 14.080 -3.454 -3.454
946 HA GLN 123 HA GLN 123 13.194 -5.973 -5.973
947 1HB GLN 123 HB2 GLN 123 11.337 -5.478 -5.478
948 2HB GLN 123 HB3 GLN 123 12.457 -4.912 -4.912
949 1HG GLN 123 HG2 GLN 123 13.379 -7.508 -7.508
950 2HG GLN 123 HG3 GLN 123 11.636 -7.646 -7.646
951 1HE2 GLN 123 HE22 GLN 123 11.391 -7.004 -7.004
952 2HE2 GLN 123 HE21 GLN 123 10.578 -6.947 -6.947
953 H MET 124 HN MET 124 15.586 -5.215 -5.215
954 HA MET 124 HA MET 124 17.311 -4.984 -4.984
955 1HB MET 124 HB2 MET 124 17.468 -5.202 -5.202
956 2HB MET 124 HB3 MET 124 18.874 -5.848 -5.848
957 1HG MET 124 HG2 MET 124 18.042 -3.279 -3.279
958 2HG MET 124 HG3 MET 124 18.351 -3.127 -3.127
959 1HE MET 124 HE3 MET 124 19.766 -3.398 -3.398
960 2HE MET 124 HE1 MET 124 21.339 -4.212 -4.212
961 3HE MET 124 HE2 MET 124 19.831 -5.135 -5.135
962 H GLY 125 HN GLY 125 15.959 -7.091 -7.091
963 1HA GLY 125 HA1 GLY 125 16.028 -9.260 -9.260
964 2HA GLY 125 HA2 GLY 125 17.769 -9.069 -9.069
965 H CYS 126 HN CYS 126 15.913 -8.536 -8.536
966 HA CYS 126 HA CYS 126 17.356 -10.422 -10.422
967 1HB CYS 126 HB2 CYS 126 16.192 -9.734 -9.734
968 2HB CYS 126 HB3 CYS 126 15.901 -8.378 -8.378
969 H GLU 127 HN GLU 127 15.536 -11.988 -11.988
970 HA GLU 127 HA GLU 127 13.623 -13.264 -13.264
971 1HB GLU 127 HB2 GLU 127 15.626 -14.001 -14.001
972 2HB GLU 127 HB3 GLU 127 16.259 -14.798 -14.798
973 1HG GLU 127 HG2 GLU 127 14.416 -16.356 -16.356
974 2HG GLU 127 HG3 GLU 127 13.475 -15.417 -15.417
Start of MODEL 10
1 H CYS 1 HN CYS 1 -8.826 -11.509 -11.509
2 HA CYS 1 HA CYS 1 -7.811 -9.881 -9.881
3 1HB CYS 1 HB2 CYS 1 -10.587 -11.051 -11.051
4 2HB CYS 1 HB3 CYS 1 -10.147 -9.801 -9.801
5 H SER 2 HN SER 2 -8.164 -9.767 -9.767
6 HA SER 2 HA SER 2 -7.539 -10.523 -10.523
7 1HB SER 2 HB2 SER 2 -8.676 -13.058 -13.058
8 2HB SER 2 HB3 SER 2 -9.443 -11.530 -11.530
9 HG SER 2 HG SER 2 -10.791 -11.802 -11.802
10 H CYS 3 HN CYS 3 -5.924 -11.348 -11.348
11 HA CYS 3 HA CYS 3 -4.936 -13.937 -13.937
12 1HB CYS 3 HB2 CYS 3 -4.503 -13.335 -13.335
13 2HB CYS 3 HB3 CYS 3 -4.254 -11.646 -11.646
14 H SER 4 HN SER 4 -2.555 -14.337 -14.337
15 HA SER 4 HA SER 4 -2.086 -12.882 -12.882
16 1HB SER 4 HB2 SER 4 -0.278 -14.594 -14.594
17 2HB SER 4 HB3 SER 4 -1.862 -15.297 -15.297
18 HG SER 4 HG SER 4 -0.190 -14.871 -14.871
19 HA PRO 5 HA PRO 5 0.814 -10.338 -10.338
20 1HB PRO 5 HB2 PRO 5 1.263 -8.561 -8.561
21 2HB PRO 5 HB3 PRO 5 -0.064 -8.406 -8.406
22 1HG PRO 5 HG2 PRO 5 -0.130 -9.289 -9.289
23 2HG PRO 5 HG3 PRO 5 -1.450 -8.726 -8.726
24 1HD PRO 5 HD2 PRO 5 -0.878 -11.444 -11.444
25 2HD PRO 5 HD3 PRO 5 -2.127 -10.890 -10.890
26 H VAL 6 HN VAL 6 2.308 -12.088 -12.088
27 HA VAL 6 HA VAL 6 4.251 -12.103 -12.103
28 HB VAL 6 HB VAL 6 3.135 -14.226 -14.226
29 1HG1 VAL 6 HG13 VAL 6 3.860 -13.341 -13.341
30 2HG1 VAL 6 HG11 VAL 6 4.632 -14.912 -14.912
31 3HG1 VAL 6 HG12 VAL 6 2.868 -14.738 -14.738
32 1HG2 VAL 6 HG22 VAL 6 6.012 -13.723 -13.723
33 2HG2 VAL 6 HG23 VAL 6 5.004 -14.953 -14.953
34 3HG2 VAL 6 HG21 VAL 6 5.634 -15.245 -15.245
35 H HIS 7 HN HIS 7 5.883 -13.475 -13.475
36 HA HIS 7 HA HIS 7 7.710 -12.770 -12.770
37 1HB HIS 7 HB2 HIS 7 7.012 -10.914 -10.914
38 2HB HIS 7 HB3 HIS 7 6.559 -12.600 -12.600
39 HD1 HIS 7 HD1 HIS 7 4.125 -13.015 -13.015
40 HD2 HIS 7 HD2 HIS 7 4.818 -9.345 -9.345
41 HE1 HIS 7 HE1 HIS 7 1.851 -11.878 -11.878
42 HA PRO 8 HA PRO 8 8.796 -9.280 -9.280
43 1HB PRO 8 HB2 PRO 8 11.288 -10.163 -10.163
44 2HB PRO 8 HB3 PRO 8 9.852 -10.516 -10.516
45 1HG PRO 8 HG2 PRO 8 11.370 -12.300 -12.300
46 2HG PRO 8 HG3 PRO 8 10.219 -12.726 -12.726
47 1HD PRO 8 HD2 PRO 8 9.752 -12.718 -12.718
48 2HD PRO 8 HD3 PRO 8 8.571 -13.031 -13.031
49 H GLN 9 HN GLN 9 10.445 -10.749 -10.749
50 HA GLN 9 HA GLN 9 11.552 -8.107 -8.107
51 1HB GLN 9 HB2 GLN 9 13.442 -9.479 -9.479
52 2HB GLN 9 HB3 GLN 9 12.735 -10.868 -10.868
53 1HG GLN 9 HG2 GLN 9 14.033 -10.236 -10.236
54 2HG GLN 9 HG3 GLN 9 12.763 -9.068 -9.068
55 1HE2 GLN 9 HE22 GLN 9 14.782 -6.674 -6.674
56 2HE2 GLN 9 HE21 GLN 9 13.369 -7.629 -7.629
57 H GLN 10 HN GLN 10 10.086 -11.128 -11.128
58 HA GLN 10 HA GLN 10 10.075 -10.427 -10.427
59 1HB GLN 10 HB2 GLN 10 7.810 -11.968 -11.968
60 2HB GLN 10 HB3 GLN 10 8.487 -12.188 -12.188
61 1HG GLN 10 HG2 GLN 10 10.736 -12.689 -12.689
62 2HG GLN 10 HG3 GLN 10 9.635 -13.015 -13.015
63 1HE2 GLN 10 HE22 GLN 10 8.398 -16.047 -16.047
64 2HE2 GLN 10 HE21 GLN 10 8.302 -14.768 -14.768
65 H ALA 11 HN ALA 11 8.599 -8.804 -8.804
66 HA ALA 11 HA ALA 11 6.233 -7.988 -7.988
67 1HB ALA 11 HB1 ALA 11 7.270 -7.924 -7.924
68 2HB ALA 11 HB2 ALA 11 6.620 -6.339 -6.339
69 3HB ALA 11 HB3 ALA 11 5.593 -7.790 -7.790
70 H PHE 12 HN PHE 12 9.487 -6.728 -6.728
71 HA PHE 12 HA PHE 12 8.893 -4.188 -4.188
72 1HB PHE 12 HB2 PHE 12 11.374 -5.542 -5.542
73 2HB PHE 12 HB3 PHE 12 11.399 -3.895 -3.895
74 HD1 PHE 12 HD1 PHE 12 8.935 -5.775 -5.775
75 HD2 PHE 12 HD2 PHE 12 11.542 -2.441 -2.441
76 HE1 PHE 12 HE1 PHE 12 8.149 -4.951 -4.951
77 HE2 PHE 12 HE2 PHE 12 10.758 -1.619 -1.619
78 HZ PHE 12 HZ PHE 12 9.070 -2.884 -2.884
79 H CYS 13 HN CYS 13 9.457 -7.200 -7.200
80 HA CYS 13 HA CYS 13 11.173 -6.157 -6.157
81 1HB CYS 13 HB2 CYS 13 10.833 -8.873 -8.873
82 2HB CYS 13 HB3 CYS 13 11.240 -8.760 -8.760
83 H ASN 14 HN ASN 14 7.977 -7.041 -7.041
84 HA ASN 14 HA ASN 14 7.209 -7.738 -7.738
85 1HB ASN 14 HB2 ASN 14 6.247 -8.377 -8.377
86 2HB ASN 14 HB3 ASN 14 4.971 -7.461 -7.461
87 1HD2 ASN 14 HD22 ASN 14 5.819 -11.300 -11.300
88 2HD2 ASN 14 HD21 ASN 14 6.628 -10.422 -10.422
89 H ALA 15 HN ALA 15 6.813 -5.240 -5.240
90 HA ALA 15 HA ALA 15 4.799 -3.725 -3.725
91 1HB ALA 15 HB3 ALA 15 7.226 -2.899 -2.899
92 2HB ALA 15 HB1 ALA 15 5.794 -1.881 -1.881
93 3HB ALA 15 HB2 ALA 15 5.639 -3.403 -3.403
94 H ASP 16 HN ASP 16 5.247 -1.347 -1.347
95 HA ASP 16 HA ASP 16 7.517 -1.318 -1.318
96 1HB ASP 16 HB2 ASP 16 4.647 -1.544 -1.544
97 2HB ASP 16 HB3 ASP 16 5.617 -0.387 -0.387
98 H VAL 17 HN VAL 17 5.930 0.080 0.080
99 HA VAL 17 HA VAL 17 6.770 2.704 2.704
100 HB VAL 17 HB VAL 17 4.791 2.790 2.790
101 1HG1 VAL 17 HG13 VAL 17 3.594 0.881 0.881
102 2HG1 VAL 17 HG11 VAL 17 3.240 1.866 1.866
103 3HG1 VAL 17 HG12 VAL 17 2.553 2.317 2.317
104 1HG2 VAL 17 HG21 VAL 17 5.407 4.677 4.677
105 2HG2 VAL 17 HG22 VAL 17 3.852 4.743 4.743
106 3HG2 VAL 17 HG23 VAL 17 3.910 4.176 4.176
107 H VAL 18 HN VAL 18 7.934 2.508 2.508
108 HA VAL 18 HA VAL 18 6.334 2.018 2.018
109 HB VAL 18 HB VAL 18 9.273 2.295 2.295
110 1HG1 VAL 18 HG13 VAL 18 7.114 1.093 1.093
111 2HG1 VAL 18 HG11 VAL 18 8.313 -0.158 -0.158
112 3HG1 VAL 18 HG12 VAL 18 8.816 1.303 1.303
113 1HG2 VAL 18 HG23 VAL 18 7.950 0.343 0.343
114 2HG2 VAL 18 HG21 VAL 18 9.579 1.056 1.056
115 3HG2 VAL 18 HG22 VAL 18 9.239 -0.283 -0.283
116 H ILE 19 HN ILE 19 5.704 3.706 3.706
117 HA ILE 19 HA ILE 19 7.406 6.055 6.055
118 HB ILE 19 HB ILE 19 5.725 7.596 7.596
119 1HG1 ILE 19 HG12 ILE 19 3.890 5.286 5.286
120 2HG1 ILE 19 HG13 ILE 19 3.677 6.972 6.972
121 1HG2 ILE 19 HG23 ILE 19 6.987 6.428 6.428
122 2HG2 ILE 19 HG21 ILE 19 5.558 5.392 5.392
123 3HG2 ILE 19 HG22 ILE 19 5.435 7.149 7.149
124 1HD1 ILE 19 HD12 ILE 19 3.492 7.485 7.485
125 2HD1 ILE 19 HD13 ILE 19 3.445 5.726 5.726
126 3HD1 ILE 19 HD11 ILE 19 2.163 6.515 6.515
127 H ARG 20 HN ARG 20 7.608 6.727 6.727
128 HA ARG 20 HA ARG 20 6.097 5.358 5.358
129 1HB ARG 20 HB2 ARG 20 7.965 7.744 7.744
130 2HB ARG 20 HB3 ARG 20 7.506 6.559 6.559
131 1HG ARG 20 HG2 ARG 20 8.859 4.875 4.875
132 2HG ARG 20 HG3 ARG 20 8.802 5.561 5.561
133 1HD ARG 20 HD2 ARG 20 11.028 5.793 5.793
134 2HD ARG 20 HD3 ARG 20 10.440 7.203 7.203
135 HE ARG 20 HE ARG 20 9.261 7.582 7.582
136 1HH1 ARG 20 HH22 ARG 20 12.559 6.655 6.655
137 2HH1 ARG 20 HH21 ARG 20 13.245 7.382 7.382
138 1HH2 ARG 20 HH12 ARG 20 10.164 8.542 8.542
139 2HH2 ARG 20 HH11 ARG 20 11.873 8.462 8.462
140 H THR 21 HN THR 21 4.401 6.913 6.913
141 HA THR 21 HA THR 21 3.785 9.447 9.447
142 HB THR 21 HB THR 21 3.085 8.719 8.719
143 HG1 THR 21 HG1 THR 21 1.656 10.056 10.056
144 1HG2 THR 21 HG23 THR 21 2.715 6.235 6.235
145 2HG2 THR 21 HG21 THR 21 1.112 6.803 6.803
146 3HG2 THR 21 HG22 THR 21 1.574 6.912 6.912
147 H LYS 22 HN LYS 22 1.688 10.059 10.059
148 HA LYS 22 HA LYS 22 1.094 8.084 8.084
149 1HB LYS 22 HB2 LYS 22 0.872 9.898 9.898
150 2HB LYS 22 HB3 LYS 22 2.460 9.953 9.953
151 1HG LYS 22 HG2 LYS 22 1.780 11.762 11.762
152 2HG LYS 22 HG3 LYS 22 0.106 11.614 11.614
153 1HD LYS 22 HD2 LYS 22 2.456 12.665 12.665
154 2HD LYS 22 HD3 LYS 22 0.955 13.484 13.484
155 1HE LYS 22 HE2 LYS 22 -0.206 11.575 11.575
156 2HE LYS 22 HE3 LYS 22 1.398 11.223 11.223
157 1HZ LYS 22 HZ2 LYS 22 1.238 13.878 13.878
158 2HZ LYS 22 HZ3 LYS 22 -0.304 13.432 13.432
159 3HZ LYS 22 HZ1 LYS 22 0.919 12.802 12.802
160 H ALA 23 HN ALA 23 -0.955 7.349 7.349
161 HA ALA 23 HA ALA 23 -2.869 8.847 8.847
162 1HB ALA 23 HB1 ALA 23 -2.559 6.443 6.443
163 2HB ALA 23 HB2 ALA 23 -2.969 6.078 6.078
164 3HB ALA 23 HB3 ALA 23 -4.201 6.766 6.766
165 H VAL 24 HN VAL 24 -3.716 10.542 10.542
166 HA VAL 24 HA VAL 24 -4.564 9.948 9.948
167 HB VAL 24 HB VAL 24 -4.784 12.508 12.508
168 1HG1 VAL 24 HG11 VAL 24 -2.367 10.802 10.802
169 2HG1 VAL 24 HG12 VAL 24 -2.062 12.550 12.550
170 3HG1 VAL 24 HG13 VAL 24 -3.057 11.918 11.918
171 1HG2 VAL 24 HG21 VAL 24 -4.527 12.562 12.562
172 2HG2 VAL 24 HG22 VAL 24 -3.705 13.805 13.805
173 3HG2 VAL 24 HG23 VAL 24 -2.783 12.423 12.423
174 H SER 25 HN SER 25 -5.620 11.010 11.010
175 HA SER 25 HA SER 25 -8.349 10.914 10.914
176 1HB SER 25 HB2 SER 25 -8.234 13.083 13.083
177 2HB SER 25 HB3 SER 25 -6.984 12.706 12.706
178 HG SER 25 HG SER 25 -9.081 13.184 13.184
179 H GLU 26 HN GLU 26 -9.998 10.134 10.134
180 HA GLU 26 HA GLU 26 -8.828 8.476 8.476
181 1HB GLU 26 HB2 GLU 26 -10.389 7.401 7.401
182 2HB GLU 26 HB3 GLU 26 -10.405 6.554 6.554
183 1HG GLU 26 HG2 GLU 26 -8.460 5.569 5.569
184 2HG GLU 26 HG3 GLU 26 -7.682 7.121 7.121
185 H LYS 27 HN LYS 27 -10.988 7.152 7.152
186 HA LYS 27 HA LYS 27 -13.280 8.902 8.902
187 1HB LYS 27 HB2 LYS 27 -11.820 10.016 10.016
188 2HB LYS 27 HB3 LYS 27 -11.617 8.518 8.518
189 1HG LYS 27 HG2 LYS 27 -13.812 8.537 8.537
190 2HG LYS 27 HG3 LYS 27 -14.432 9.471 9.471
191 1HD LYS 27 HD2 LYS 27 -14.190 10.672 10.672
192 2HD LYS 27 HD3 LYS 27 -13.629 11.522 11.522
193 1HE LYS 27 HE2 LYS 27 -11.309 10.942 10.942
194 2HE LYS 27 HE3 LYS 27 -11.775 9.811 9.811
195 1HZ LYS 27 HZ2 LYS 27 -12.802 11.802 11.802
196 2HZ LYS 27 HZ3 LYS 27 -11.969 12.730 12.730
197 3HZ LYS 27 HZ1 LYS 27 -11.170 11.746 11.746
198 H GLU 28 HN GLU 28 -14.894 7.479 7.479
199 HA GLU 28 HA GLU 28 -14.542 4.761 4.761
200 1HB GLU 28 HB2 GLU 28 -15.792 5.316 5.316
201 2HB GLU 28 HB3 GLU 28 -16.895 6.345 6.345
202 1HG GLU 28 HG2 GLU 28 -17.051 3.853 3.853
203 2HG GLU 28 HG3 GLU 28 -16.963 3.431 3.431
204 H VAL 29 HN VAL 29 -14.344 4.518 4.518
205 HA VAL 29 HA VAL 29 -16.529 5.596 5.596
206 HB VAL 29 HB VAL 29 -15.007 4.889 4.889
207 1HG1 VAL 29 HG13 VAL 29 -14.907 7.150 7.150
208 2HG1 VAL 29 HG11 VAL 29 -13.243 6.769 6.769
209 3HG1 VAL 29 HG12 VAL 29 -14.500 7.059 7.059
210 1HG2 VAL 29 HG21 VAL 29 -13.702 3.278 3.278
211 2HG2 VAL 29 HG22 VAL 29 -12.756 4.296 4.296
212 3HG2 VAL 29 HG23 VAL 29 -12.855 4.717 4.717
213 H ASP 30 HN ASP 30 -18.108 4.051 4.051
214 HA ASP 30 HA ASP 30 -17.881 1.410 1.410
215 1HB ASP 30 HB2 ASP 30 -20.263 2.717 2.717
216 2HB ASP 30 HB3 ASP 30 -20.279 1.274 1.274
217 H SER 31 HN SER 31 -17.923 -0.398 -0.398
218 HA SER 31 HA SER 31 -17.950 0.330 0.330
219 1HB SER 31 HB2 SER 31 -15.702 -0.190 -0.190
220 2HB SER 31 HB3 SER 31 -15.966 -1.268 -1.268
221 HG SER 31 HG SER 31 -16.843 -1.927 -1.927
222 H GLY 32 HN GLY 32 -20.185 -0.545 -0.545
223 1HA GLY 32 HA1 GLY 32 -21.884 -2.014 -2.014
224 2HA GLY 32 HA2 GLY 32 -21.333 -2.496 -2.496
225 H ASN 33 HN ASN 33 -22.231 -4.650 -4.650
226 HA ASN 33 HA ASN 33 -20.571 -5.905 -5.905
227 1HB ASN 33 HB2 ASN 33 -22.577 -7.335 -7.335
228 2HB ASN 33 HB3 ASN 33 -22.115 -7.741 -7.741
229 1HD2 ASN 33 HD22 ASN 33 -24.162 -5.345 -5.345
230 2HD2 ASN 33 HD21 ASN 33 -22.701 -6.269 -6.269
231 H ASP 34 HN ASP 34 -19.634 -8.197 -8.197
232 HA ASP 34 HA ASP 34 -18.223 -7.881 -7.881
233 1HB ASP 34 HB2 ASP 34 -17.294 -8.569 -8.569
234 2HB ASP 34 HB3 ASP 34 -17.784 -10.175 -10.175
235 H ILE 35 HN ILE 35 -17.617 -10.725 -10.725
236 HA ILE 35 HA ILE 35 -20.070 -11.521 -11.521
237 HB ILE 35 HB ILE 35 -17.346 -12.821 -12.821
238 1HG1 ILE 35 HG12 ILE 35 -17.256 -11.934 -11.934
239 2HG1 ILE 35 HG13 ILE 35 -18.617 -10.913 -10.913
240 1HG2 ILE 35 HG22 ILE 35 -19.918 -13.629 -13.629
241 2HG2 ILE 35 HG23 ILE 35 -18.473 -13.770 -13.770
242 3HG2 ILE 35 HG21 ILE 35 -18.535 -14.610 -14.610
243 1HD1 ILE 35 HD13 ILE 35 -16.207 -10.940 -10.940
244 2HD1 ILE 35 HD11 ILE 35 -16.139 -10.019 -10.019
245 3HD1 ILE 35 HD12 ILE 35 -17.376 -9.632 -9.632
246 H TYR 36 HN TYR 36 -19.081 -11.607 -11.607
247 HA TYR 36 HA TYR 36 -20.188 -14.291 -14.291
248 1HB TYR 36 HB2 TYR 36 -17.822 -13.179 -13.179
249 2HB TYR 36 HB3 TYR 36 -18.841 -12.500 -12.500
250 HD1 TYR 36 HD1 TYR 36 -17.829 -15.749 -15.749
251 HD2 TYR 36 HD2 TYR 36 -19.399 -13.765 -13.765
252 HE1 TYR 36 HE1 TYR 36 -17.633 -17.903 -17.903
253 HE2 TYR 36 HE2 TYR 36 -19.198 -15.926 -15.926
254 HH TYR 36 HH TYR 36 -17.903 -18.864 -18.864
255 H GLY 37 HN GLY 37 -21.148 -11.096 -11.096
256 1HA GLY 37 HA1 GLY 37 -23.232 -10.311 -10.311
257 2HA GLY 37 HA2 GLY 37 -23.431 -11.618 -11.618
258 H ASN 38 HN ASN 38 -20.384 -10.718 -10.718
259 HA ASN 38 HA ASN 38 -21.251 -9.247 -9.247
260 1HB ASN 38 HB2 ASN 38 -18.672 -9.092 -9.092
261 2HB ASN 38 HB3 ASN 38 -19.388 -10.691 -10.691
262 1HD2 ASN 38 HD22 ASN 38 -16.343 -10.841 -10.841
263 2HD2 ASN 38 HD21 ASN 38 -16.764 -10.492 -10.492
264 HA PRO 39 HA PRO 39 -20.427 -5.255 -5.255
265 1HB PRO 39 HB2 PRO 39 -19.843 -3.821 -3.821
266 2HB PRO 39 HB3 PRO 39 -21.479 -4.217 -4.217
267 1HG PRO 39 HG2 PRO 39 -19.849 -5.405 -5.405
268 2HG PRO 39 HG3 PRO 39 -21.585 -5.473 -5.473
269 1HD PRO 39 HD2 PRO 39 -19.699 -7.565 -7.565
270 2HD PRO 39 HD3 PRO 39 -21.419 -7.590 -7.590
271 H ILE 40 HN ILE 40 -18.875 -4.336 -4.336
272 HA ILE 40 HA ILE 40 -16.218 -5.227 -5.227
273 HB ILE 40 HB ILE 40 -17.371 -3.330 -3.330
274 1HG1 ILE 40 HG12 ILE 40 -16.583 -6.253 -6.253
275 2HG1 ILE 40 HG13 ILE 40 -18.195 -5.585 -5.585
276 1HG2 ILE 40 HG22 ILE 40 -14.567 -4.457 -4.457
277 2HG2 ILE 40 HG23 ILE 40 -15.217 -3.595 -3.595
278 3HG2 ILE 40 HG21 ILE 40 -15.052 -2.750 -2.750
279 1HD1 ILE 40 HD13 ILE 40 -16.987 -4.160 -4.160
280 2HD1 ILE 40 HD11 ILE 40 -15.941 -5.600 -5.600
281 3HD1 ILE 40 HD12 ILE 40 -17.692 -5.769 -5.769
282 H LYS 41 HN LYS 41 -16.794 -1.846 -1.846
283 HA LYS 41 HA LYS 41 -16.311 0.074 0.074
284 1HB LYS 41 HB2 LYS 41 -17.673 -0.896 -0.896
285 2HB LYS 41 HB3 LYS 41 -16.164 -1.377 -1.377
286 1HG LYS 41 HG2 LYS 41 -15.383 1.012 1.012
287 2HG LYS 41 HG3 LYS 41 -16.916 1.480 1.480
288 1HD LYS 41 HD2 LYS 41 -17.089 -0.117 -0.117
289 2HD LYS 41 HD3 LYS 41 -16.426 1.496 1.496
290 1HE LYS 41 HE2 LYS 41 -18.484 2.304 2.304
291 2HE LYS 41 HE3 LYS 41 -19.159 0.711 0.711
292 1HZ LYS 41 HZ3 LYS 41 -18.594 1.226 1.226
293 2HZ LYS 41 HZ1 LYS 41 -18.536 2.787 2.787
294 3HZ LYS 41 HZ2 LYS 41 -19.912 1.927 1.927
295 H ARG 42 HN ARG 42 -14.397 1.039 1.039
296 HA ARG 42 HA ARG 42 -12.048 -0.355 -0.355
297 1HB ARG 42 HB2 ARG 42 -11.124 1.072 1.072
298 2HB ARG 42 HB3 ARG 42 -11.464 -0.648 -0.648
299 1HG ARG 42 HG2 ARG 42 -13.893 -0.070 -0.070
300 2HG ARG 42 HG3 ARG 42 -13.367 1.584 1.584
301 1HD ARG 42 HD2 ARG 42 -11.577 0.604 0.604
302 2HD ARG 42 HD3 ARG 42 -12.491 -0.889 -0.889
303 HE ARG 42 HE ARG 42 -14.183 0.095 0.095
304 1HH1 ARG 42 HH22 ARG 42 -12.026 2.598 2.598
305 2HH1 ARG 42 HH21 ARG 42 -12.726 3.850 3.850
306 1HH2 ARG 42 HH12 ARG 42 -15.107 1.747 1.747
307 2HH2 ARG 42 HH11 ARG 42 -14.490 3.363 3.363
308 H ILE 43 HN ILE 43 -12.568 1.235 1.235
309 HA ILE 43 HA ILE 43 -12.665 3.903 3.903
310 HB ILE 43 HB ILE 43 -11.743 1.905 1.905
311 1HG1 ILE 43 HG12 ILE 43 -12.933 3.510 3.510
312 2HG1 ILE 43 HG13 ILE 43 -13.274 4.512 4.512
313 1HG2 ILE 43 HG21 ILE 43 -10.424 4.621 4.621
314 2HG2 ILE 43 HG22 ILE 43 -10.634 3.651 3.651
315 3HG2 ILE 43 HG23 ILE 43 -9.673 3.013 3.013
316 1HD1 ILE 43 HD12 ILE 43 -13.919 1.658 1.658
317 2HD1 ILE 43 HD13 ILE 43 -14.850 2.403 2.403
318 3HD1 ILE 43 HD11 ILE 43 -14.903 3.108 3.108
319 H GLN 44 HN GLN 44 -11.213 5.684 5.684
320 HA GLN 44 HA GLN 44 -8.912 5.063 5.063
321 1HB GLN 44 HB2 GLN 44 -10.270 7.682 7.682
322 2HB GLN 44 HB3 GLN 44 -8.804 7.614 7.614
323 1HG GLN 44 HG2 GLN 44 -11.563 6.559 6.559
324 2HG GLN 44 HG3 GLN 44 -10.579 7.707 7.707
325 1HE2 GLN 44 HE22 GLN 44 -10.008 3.635 3.635
326 2HE2 GLN 44 HE21 GLN 44 -10.971 4.353 4.353
327 H TYR 45 HN TYR 45 -6.993 6.863 6.863
328 HA TYR 45 HA TYR 45 -6.526 6.807 6.807
329 1HB TYR 45 HB2 TYR 45 -5.112 5.481 5.481
330 2HB TYR 45 HB3 TYR 45 -4.040 6.332 6.332
331 HD1 TYR 45 HD2 TYR 45 -5.782 5.775 5.775
332 HD2 TYR 45 HD1 TYR 45 -4.276 3.277 3.277
333 HE1 TYR 45 HE2 TYR 45 -5.807 3.776 3.776
334 HE2 TYR 45 HE1 TYR 45 -4.307 1.288 1.288
335 HH TYR 45 HH TYR 45 -5.162 1.707 1.707
336 H GLU 46 HN GLU 46 -7.271 9.129 9.129
337 HA GLU 46 HA GLU 46 -5.650 10.747 10.747
338 1HB GLU 46 HB2 GLU 46 -8.062 11.086 11.086
339 2HB GLU 46 HB3 GLU 46 -7.131 11.870 11.870
340 1HG GLU 46 HG2 GLU 46 -6.196 13.477 13.477
341 2HG GLU 46 HG3 GLU 46 -6.793 12.583 12.583
342 H ILE 47 HN ILE 47 -3.544 9.702 9.702
343 HA ILE 47 HA ILE 47 -2.686 10.365 10.365
344 HB ILE 47 HB ILE 47 -0.493 9.670 9.670
345 1HG1 ILE 47 HG12 ILE 47 -1.767 10.001 10.001
346 2HG1 ILE 47 HG13 ILE 47 -0.183 10.501 10.501
347 1HG2 ILE 47 HG21 ILE 47 -2.852 8.122 8.122
348 2HG2 ILE 47 HG22 ILE 47 -1.907 7.535 7.535
349 3HG2 ILE 47 HG23 ILE 47 -1.172 7.583 7.583
350 1HD1 ILE 47 HD12 ILE 47 -0.123 7.712 7.712
351 2HD1 ILE 47 HD13 ILE 47 -1.010 7.957 7.957
352 3HD1 ILE 47 HD11 ILE 47 0.624 8.637 8.637
353 H LYS 48 HN LYS 48 -0.296 11.621 11.621
354 HA LYS 48 HA LYS 48 -0.927 14.220 14.220
355 1HB LYS 48 HB2 LYS 48 -1.077 13.849 13.849
356 2HB LYS 48 HB3 LYS 48 0.666 14.010 14.010
357 1HG LYS 48 HG2 LYS 48 -0.258 16.098 16.098
358 2HG LYS 48 HG3 LYS 48 -1.420 16.070 16.070
359 1HD LYS 48 HD2 LYS 48 1.559 16.572 16.572
360 2HD LYS 48 HD3 LYS 48 0.259 17.497 17.497
361 1HE LYS 48 HE2 LYS 48 -0.057 15.046 15.046
362 2HE LYS 48 HE3 LYS 48 1.682 15.096 15.096
363 1HZ LYS 48 HZ1 LYS 48 0.821 17.595 17.595
364 2HZ LYS 48 HZ2 LYS 48 0.175 16.471 16.471
365 3HZ LYS 48 HZ3 LYS 48 1.792 16.535 16.535
366 H GLN 49 HN GLN 49 0.945 11.528 11.528
367 HA GLN 49 HA GLN 49 2.935 11.071 11.071
368 1HB GLN 49 HB2 GLN 49 2.293 13.645 13.645
369 2HB GLN 49 HB3 GLN 49 3.792 12.797 12.797
370 1HG GLN 49 HG2 GLN 49 1.126 11.334 11.334
371 2HG GLN 49 HG3 GLN 49 1.702 12.223 12.223
372 1HE2 GLN 49 HE22 GLN 49 4.770 10.162 10.162
373 2HE2 GLN 49 HE21 GLN 49 4.363 11.832 11.832
374 H ILE 50 HN ILE 50 4.600 10.996 10.996
375 HA ILE 50 HA ILE 50 5.754 13.578 13.578
376 HB ILE 50 HB ILE 50 5.804 12.949 12.949
377 1HG1 ILE 50 HG12 ILE 50 6.733 10.295 10.295
378 2HG1 ILE 50 HG13 ILE 50 7.576 11.445 11.445
379 1HG2 ILE 50 HG22 ILE 50 3.481 12.259 12.259
380 2HG2 ILE 50 HG23 ILE 50 4.034 10.603 10.603
381 3HG2 ILE 50 HG21 ILE 50 3.926 11.802 11.802
382 1HD1 ILE 50 HD12 ILE 50 6.018 10.940 10.940
383 2HD1 ILE 50 HD13 ILE 50 5.169 9.767 9.767
384 3HD1 ILE 50 HD11 ILE 50 6.861 9.478 9.478
385 H LYS 51 HN LYS 51 6.268 10.258 10.258
386 HA LYS 51 HA LYS 51 8.905 11.096 11.096
387 1HB LYS 51 HB2 LYS 51 8.647 9.600 9.600
388 2HB LYS 51 HB3 LYS 51 8.981 8.390 8.390
389 1HG LYS 51 HG2 LYS 51 11.078 9.298 9.298
390 2HG LYS 51 HG3 LYS 51 10.631 10.916 10.916
391 1HD LYS 51 HD2 LYS 51 10.405 9.496 9.496
392 2HD LYS 51 HD3 LYS 51 11.745 8.677 8.677
393 1HE LYS 51 HE2 LYS 51 12.786 10.989 10.989
394 2HE LYS 51 HE3 LYS 51 11.528 11.662 11.662
395 1HZ LYS 51 HZ3 LYS 51 12.389 9.747 9.747
396 2HZ LYS 51 HZ1 LYS 51 13.773 10.011 10.011
397 3HZ LYS 51 HZ2 LYS 51 13.065 11.234 11.234
398 H MET 52 HN MET 52 9.813 9.438 9.438
399 HA MET 52 HA MET 52 7.728 7.826 7.826
400 1HB MET 52 HB2 MET 52 8.327 10.401 10.401
401 2HB MET 52 HB3 MET 52 9.287 9.361 9.361
402 1HG MET 52 HG2 MET 52 7.307 8.061 8.061
403 2HG MET 52 HG3 MET 52 6.314 8.898 8.898
404 1HE MET 52 HE2 MET 52 8.517 8.947 8.947
405 2HE MET 52 HE3 MET 52 7.325 9.489 9.489
406 3HE MET 52 HE1 MET 52 8.560 10.620 10.620
407 H PHE 53 HN PHE 53 9.321 6.276 6.276
408 HA PHE 53 HA PHE 53 11.911 5.943 5.943
409 1HB PHE 53 HB2 PHE 53 9.495 4.183 4.183
410 2HB PHE 53 HB3 PHE 53 10.901 3.354 3.354
411 HD1 PHE 53 HD2 PHE 53 13.106 4.686 4.686
412 HD2 PHE 53 HD1 PHE 53 9.295 3.481 3.481
413 HE1 PHE 53 HE2 PHE 53 14.038 4.483 4.483
414 HE2 PHE 53 HE1 PHE 53 10.227 3.277 3.277
415 HZ PHE 53 HZ PHE 53 12.587 3.782 3.782
416 H LYS 54 HN LYS 54 9.564 3.952 3.952
417 HA LYS 54 HA LYS 54 11.125 4.618 4.618
418 1HB LYS 54 HB2 LYS 54 11.326 2.193 2.193
419 2HB LYS 54 HB3 LYS 54 10.149 1.854 1.854
420 1HG LYS 54 HG2 LYS 54 12.508 1.461 1.461
421 2HG LYS 54 HG3 LYS 54 11.670 2.644 2.644
422 1HD LYS 54 HD2 LYS 54 12.954 3.983 3.983
423 2HD LYS 54 HD3 LYS 54 14.127 2.986 2.986
424 1HE LYS 54 HE2 LYS 54 13.304 4.043 4.043
425 2HE LYS 54 HE3 LYS 54 12.369 5.161 5.161
426 1HZ LYS 54 HZ1 LYS 54 15.209 4.826 4.826
427 2HZ LYS 54 HZ2 LYS 54 14.739 5.768 5.768
428 3HZ LYS 54 HZ3 LYS 54 14.256 6.124 6.124
429 H GLY 55 HN GLY 55 9.871 3.966 3.966
430 1HA GLY 55 HA1 GLY 55 7.541 3.335 3.335
431 2HA GLY 55 HA2 GLY 55 7.011 4.564 4.564
432 HA PRO 56 HA PRO 56 7.343 6.941 6.941
433 1HB PRO 56 HB2 PRO 56 5.442 8.795 8.795
434 2HB PRO 56 HB3 PRO 56 5.076 7.295 7.295
435 1HG PRO 56 HG2 PRO 56 4.576 8.022 8.022
436 2HG PRO 56 HG3 PRO 56 3.857 6.734 6.734
437 1HD PRO 56 HD2 PRO 56 5.907 6.463 6.463
438 2HD PRO 56 HD3 PRO 56 5.269 5.196 5.196
439 H GLU 57 HN GLU 57 7.037 9.698 9.698
440 HA GLU 57 HA GLU 57 9.168 10.417 10.417
441 1HB GLU 57 HB2 GLU 57 8.871 11.888 11.888
442 2HB GLU 57 HB3 GLU 57 10.314 11.585 11.585
443 1HG GLU 57 HG2 GLU 57 10.029 9.088 9.088
444 2HG GLU 57 HG3 GLU 57 8.815 9.603 9.603
445 H LYS 58 HN LYS 58 6.086 11.211 11.211
446 HA LYS 58 HA LYS 58 5.973 13.894 13.894
447 1HB LYS 58 HB2 LYS 58 4.642 12.553 12.553
448 2HB LYS 58 HB3 LYS 58 3.512 12.278 12.278
449 1HG LYS 58 HG2 LYS 58 2.677 14.361 14.361
450 2HG LYS 58 HG3 LYS 58 4.223 15.034 15.034
451 1HD LYS 58 HD2 LYS 58 3.728 14.056 14.056
452 2HD LYS 58 HD3 LYS 58 3.296 15.681 15.681
453 1HE LYS 58 HE2 LYS 58 5.953 15.263 15.263
454 2HE LYS 58 HE3 LYS 58 5.927 14.610 14.610
455 1HZ LYS 58 HZ1 LYS 58 4.841 17.258 17.258
456 2HZ LYS 58 HZ2 LYS 58 6.396 17.027 17.027
457 3HZ LYS 58 HZ3 LYS 58 5.189 16.652 16.652
458 H ASP 59 HN ASP 59 3.663 11.313 11.313
459 HA ASP 59 HA ASP 59 4.254 10.883 10.883
460 1HB ASP 59 HB2 ASP 59 4.505 13.196 13.196
461 2HB ASP 59 HB3 ASP 59 3.035 13.661 13.661
462 H ILE 60 HN ILE 60 2.267 10.210 10.210
463 HA ILE 60 HA ILE 60 0.011 9.755 9.755
464 HB ILE 60 HB ILE 60 0.366 8.285 8.285
465 1HG1 ILE 60 HG12 ILE 60 2.625 8.318 8.318
466 2HG1 ILE 60 HG13 ILE 60 1.921 6.716 6.716
467 1HG2 ILE 60 HG22 ILE 60 -1.586 8.101 8.101
468 2HG2 ILE 60 HG23 ILE 60 -0.431 7.155 7.155
469 3HG2 ILE 60 HG21 ILE 60 -0.869 6.616 6.616
470 1HD1 ILE 60 HD11 ILE 60 1.105 7.891 7.891
471 2HD1 ILE 60 HD12 ILE 60 2.856 8.152 8.152
472 3HD1 ILE 60 HD13 ILE 60 2.189 6.504 6.504
473 H GLU 61 HN GLU 61 0.235 9.816 9.816
474 HA GLU 61 HA GLU 61 -0.733 11.096 11.096
475 1HB GLU 61 HB2 GLU 61 -0.705 12.854 12.854
476 2HB GLU 61 HB3 GLU 61 -2.258 13.035 13.035
477 1HG GLU 61 HG2 GLU 61 -0.591 13.001 13.001
478 2HG GLU 61 HG3 GLU 61 0.473 13.721 13.721
479 H PHE 62 HN PHE 62 -2.245 9.405 9.405
480 HA PHE 62 HA PHE 62 -4.666 9.190 9.190
481 1HB PHE 62 HB2 PHE 62 -4.309 10.429 10.429
482 2HB PHE 62 HB3 PHE 62 -5.438 9.091 9.091
483 HD1 PHE 62 HD1 PHE 62 -7.496 9.137 9.137
484 HD2 PHE 62 HD2 PHE 62 -4.923 12.494 12.494
485 HE1 PHE 62 HE1 PHE 62 -9.319 10.623 10.623
486 HE2 PHE 62 HE2 PHE 62 -6.747 13.981 13.981
487 HZ PHE 62 HZ PHE 62 -8.923 13.028 13.028
488 H ILE 63 HN ILE 63 -4.107 7.074 7.074
489 HA ILE 63 HA ILE 63 -3.674 5.192 5.192
490 HB ILE 63 HB ILE 63 -3.254 4.454 4.454
491 1HG1 ILE 63 HG12 ILE 63 -2.114 6.808 6.808
492 2HG1 ILE 63 HG13 ILE 63 -1.637 5.915 5.915
493 1HG2 ILE 63 HG21 ILE 63 -2.042 3.731 3.731
494 2HG2 ILE 63 HG22 ILE 63 -1.271 3.292 3.292
495 3HG2 ILE 63 HG23 ILE 63 -2.902 2.691 2.691
496 1HD1 ILE 63 HD12 ILE 63 -0.616 5.057 5.057
497 2HD1 ILE 63 HD13 ILE 63 0.162 6.396 6.396
498 3HD1 ILE 63 HD11 ILE 63 0.102 4.772 4.772
499 H TYR 64 HN TYR 64 -4.628 2.894 2.894
500 HA TYR 64 HA TYR 64 -7.366 3.346 3.346
501 1HB TYR 64 HB2 TYR 64 -6.100 1.705 1.705
502 2HB TYR 64 HB3 TYR 64 -7.706 1.316 1.316
503 HD1 TYR 64 HD1 TYR 64 -5.915 4.509 4.509
504 HD2 TYR 64 HD2 TYR 64 -9.370 2.049 2.049
505 HE1 TYR 64 HE1 TYR 64 -6.910 6.249 6.249
506 HE2 TYR 64 HE2 TYR 64 -10.354 3.797 3.797
507 HH TYR 64 HH TYR 64 -9.213 5.670 5.670
508 H THR 65 HN THR 65 -8.447 1.291 1.291
509 HA THR 65 HA THR 65 -6.983 -0.989 -0.989
510 HB THR 65 HB THR 65 -5.653 0.530 0.530
511 HG1 THR 65 HG1 THR 65 -6.030 -0.811 -0.811
512 1HG2 THR 65 HG23 THR 65 -8.400 1.444 1.444
513 2HG2 THR 65 HG21 THR 65 -7.217 1.241 1.241
514 3HG2 THR 65 HG22 THR 65 -6.870 2.354 2.354
515 H ALA 66 HN ALA 66 -8.174 -1.969 -1.969
516 HA ALA 66 HA ALA 66 -10.993 -1.830 -1.830
517 1HB ALA 66 HB3 ALA 66 -9.122 -3.946 -3.946
518 2HB ALA 66 HB1 ALA 66 -10.629 -3.993 -3.993
519 3HB ALA 66 HB2 ALA 66 -10.693 -4.064 -4.064
520 HA PRO 67 HA PRO 67 -11.937 0.010 0.010
521 1HB PRO 67 HB2 PRO 67 -14.591 -0.603 -0.603
522 2HB PRO 67 HB3 PRO 67 -13.992 0.708 0.708
523 1HG PRO 67 HG2 PRO 67 -15.003 -1.942 -1.942
524 2HG PRO 67 HG3 PRO 67 -14.806 -0.489 -0.489
525 1HD PRO 67 HD2 PRO 67 -13.098 -2.794 -2.794
526 2HD PRO 67 HD3 PRO 67 -12.841 -1.296 -1.296
527 H SER 68 HN SER 68 -13.788 -0.721 -0.721
528 HA SER 68 HA SER 68 -13.879 -1.907 -1.907
529 1HB SER 68 HB2 SER 68 -13.530 -3.971 -3.971
530 2HB SER 68 HB3 SER 68 -13.174 -4.525 -4.525
531 HG SER 68 HG SER 68 -15.272 -3.995 -3.995
532 H SER 69 HN SER 69 -12.385 -4.004 -4.004
533 HA SER 69 HA SER 69 -10.033 -2.620 -2.620
534 1HB SER 69 HB2 SER 69 -9.579 -4.517 -4.517
535 2HB SER 69 HB3 SER 69 -11.266 -4.059 -4.059
536 HG SER 69 HG SER 69 -10.149 -6.455 -6.455
537 H ALA 70 HN ALA 70 -9.681 -2.723 -2.723
538 HA ALA 70 HA ALA 70 -8.396 -3.406 -3.406
539 1HB ALA 70 HB1 ALA 70 -6.864 -3.704 -3.704
540 2HB ALA 70 HB2 ALA 70 -6.356 -4.920 -4.920
541 3HB ALA 70 HB3 ALA 70 -6.319 -3.190 -3.190
542 H VAL 71 HN VAL 71 -9.740 -4.794 -4.794
543 HA VAL 71 HA VAL 71 -9.707 -7.600 -7.600
544 HB VAL 71 HB VAL 71 -11.808 -7.773 -7.773
545 1HG1 VAL 71 HG12 VAL 71 -11.548 -5.539 -5.539
546 2HG1 VAL 71 HG13 VAL 71 -12.007 -4.782 -4.782
547 3HG1 VAL 71 HG11 VAL 71 -13.099 -5.954 -5.954
548 1HG2 VAL 71 HG23 VAL 71 -10.894 -6.052 -6.052
549 2HG2 VAL 71 HG21 VAL 71 -11.551 -7.705 -7.705
550 3HG2 VAL 71 HG22 VAL 71 -12.631 -6.321 -6.321
551 H CYS 72 HN CYS 72 -8.898 -5.302 -5.302
552 HA CYS 72 HA CYS 72 -7.493 -7.510 -7.510
553 1HB CYS 72 HB2 CYS 72 -8.907 -5.317 -5.317
554 2HB CYS 72 HB3 CYS 72 -8.096 -6.725 -6.725
555 H GLY 73 HN GLY 73 -7.107 -4.959 -4.959
556 1HA GLY 73 HA1 GLY 73 -4.620 -4.134 -4.134
557 2HA GLY 73 HA2 GLY 73 -5.807 -2.882 -2.882
558 H VAL 74 HN VAL 74 -4.289 -1.869 -1.869
559 HA VAL 74 HA VAL 74 -4.093 -3.343 -3.343
560 HB VAL 74 HB VAL 74 -2.285 -1.136 -1.136
561 1HG1 VAL 74 HG11 VAL 74 -2.604 -1.856 -1.856
562 2HG1 VAL 74 HG12 VAL 74 -1.508 -3.174 -3.174
563 3HG1 VAL 74 HG13 VAL 74 -0.995 -1.479 -1.479
564 1HG2 VAL 74 HG23 VAL 74 -2.381 -3.462 -3.462
565 2HG2 VAL 74 HG21 VAL 74 -0.842 -2.632 -2.632
566 3HG2 VAL 74 HG22 VAL 74 -1.365 -3.980 -3.980
567 H SER 75 HN SER 75 -5.905 -1.090 -1.090
568 HA SER 75 HA SER 75 -6.819 0.870 0.870
569 1HB SER 75 HB2 SER 75 -8.522 0.543 0.543
570 2HB SER 75 HB3 SER 75 -8.300 -0.969 -0.969
571 HG SER 75 HG SER 75 -8.219 -0.666 -0.666
572 H LEU 76 HN LEU 76 -4.965 2.267 2.267
573 HA LEU 76 HA LEU 76 -4.190 2.558 2.558
574 1HB LEU 76 HB2 LEU 76 -2.715 4.005 4.005
575 2HB LEU 76 HB3 LEU 76 -2.134 3.184 3.184
576 HG LEU 76 HG LEU 76 -2.995 1.071 1.071
577 1HD1 LEU 76 HD13 LEU 76 -3.007 3.175 3.175
578 2HD1 LEU 76 HD11 LEU 76 -1.427 2.402 2.402
579 3HD1 LEU 76 HD12 LEU 76 -2.922 1.443 1.443
580 1HD2 LEU 76 HD22 LEU 76 -0.536 2.153 2.153
581 2HD2 LEU 76 HD23 LEU 76 -0.955 0.464 0.464
582 3HD2 LEU 76 HD21 LEU 76 -0.272 1.512 1.512
583 H ASP 77 HN ASP 77 -4.774 4.339 4.339
584 HA ASP 77 HA ASP 77 -6.103 6.422 6.422
585 1HB ASP 77 HB2 ASP 77 -7.366 6.907 6.907
586 2HB ASP 77 HB3 ASP 77 -7.676 5.304 5.304
587 H VAL 78 HN VAL 78 -3.293 5.601 5.601
588 HA VAL 78 HA VAL 78 -1.566 6.784 6.784
589 HB VAL 78 HB VAL 78 -3.226 8.828 8.828
590 1HG1 VAL 78 HG11 VAL 78 -1.513 9.509 9.509
591 2HG1 VAL 78 HG12 VAL 78 -1.467 10.588 10.588
592 3HG1 VAL 78 HG13 VAL 78 -3.010 10.272 10.272
593 1HG2 VAL 78 HG21 VAL 78 -0.666 7.535 7.535
594 2HG2 VAL 78 HG22 VAL 78 -1.584 8.515 8.515
595 3HG2 VAL 78 HG23 VAL 78 -0.459 9.303 9.303
596 H GLY 79 HN GLY 79 -4.690 8.320 8.320
597 1HA GLY 79 HA1 GLY 79 -3.961 9.312 9.312
598 2HA GLY 79 HA2 GLY 79 -5.537 8.643 8.643
599 H GLY 80 HN GLY 80 -3.884 5.982 5.982
600 1HA GLY 80 HA1 GLY 80 -3.739 5.113 5.113
601 2HA GLY 80 HA2 GLY 80 -4.360 4.126 4.126
602 H LYS 81 HN LYS 81 -2.319 5.057 5.057
603 HA LYS 81 HA LYS 81 -0.096 3.468 3.468
604 1HB LYS 81 HB2 LYS 81 0.192 3.812 3.812
605 2HB LYS 81 HB3 LYS 81 -0.262 2.358 2.358
606 1HG LYS 81 HG2 LYS 81 -2.260 4.522 4.522
607 2HG LYS 81 HG3 LYS 81 -1.920 3.110 3.110
608 1HD LYS 81 HD2 LYS 81 -3.052 1.676 1.676
609 2HD LYS 81 HD3 LYS 81 -2.549 2.526 2.526
610 1HE LYS 81 HE2 LYS 81 -4.614 3.463 3.463
611 2HE LYS 81 HE3 LYS 81 -4.211 4.375 4.375
612 1HZ LYS 81 HZ2 LYS 81 -4.850 2.066 2.066
613 2HZ LYS 81 HZ3 LYS 81 -5.798 1.990 1.990
614 3HZ LYS 81 HZ1 LYS 81 -5.952 3.238 3.238
615 H LYS 82 HN LYS 82 0.161 5.613 5.613
616 HA LYS 82 HA LYS 82 0.935 7.964 7.964
617 1HB LYS 82 HB2 LYS 82 3.479 7.698 7.698
618 2HB LYS 82 HB3 LYS 82 2.498 7.188 7.188
619 1HG LYS 82 HG2 LYS 82 2.639 4.901 4.901
620 2HG LYS 82 HG3 LYS 82 4.251 5.587 5.587
621 1HD LYS 82 HD2 LYS 82 4.702 4.823 4.823
622 2HD LYS 82 HD3 LYS 82 3.341 5.713 5.713
623 1HE LYS 82 HE2 LYS 82 1.961 3.865 3.865
624 2HE LYS 82 HE3 LYS 82 2.590 3.245 3.245
625 1HZ LYS 82 HZ1 LYS 82 4.653 3.081 3.081
626 2HZ LYS 82 HZ2 LYS 82 3.344 2.575 2.575
627 3HZ LYS 82 HZ3 LYS 82 3.751 1.843 1.843
628 H GLU 83 HN GLU 83 2.841 5.510 5.510
629 HA GLU 83 HA GLU 83 1.942 6.656 6.656
630 1HB GLU 83 HB2 GLU 83 4.693 6.956 6.956
631 2HB GLU 83 HB3 GLU 83 3.528 8.251 8.251
632 1HG GLU 83 HG2 GLU 83 5.371 8.568 8.568
633 2HG GLU 83 HG3 GLU 83 3.892 8.228 8.228
634 H TYR 84 HN TYR 84 3.147 5.550 5.550
635 HA TYR 84 HA TYR 84 4.424 3.055 3.055
636 1HB TYR 84 HB2 TYR 84 2.668 1.842 1.842
637 2HB TYR 84 HB3 TYR 84 1.997 2.523 2.523
638 HD1 TYR 84 HD2 TYR 84 2.647 3.638 3.638
639 HD2 TYR 84 HD1 TYR 84 -0.044 3.592 3.592
640 HE1 TYR 84 HE2 TYR 84 0.920 4.906 4.906
641 HE2 TYR 84 HE1 TYR 84 -1.761 4.861 4.861
642 HH TYR 84 HH TYR 84 -1.062 5.749 5.749
643 H LEU 85 HN LEU 85 5.463 2.000 2.000
644 HA LEU 85 HA LEU 85 6.233 3.942 3.942
645 1HB LEU 85 HB2 LEU 85 7.823 2.144 2.144
646 2HB LEU 85 HB3 LEU 85 8.002 2.743 2.743
647 HG LEU 85 HG LEU 85 8.149 0.182 0.182
648 1HD1 LEU 85 HD13 LEU 85 7.767 1.667 1.667
649 2HD1 LEU 85 HD11 LEU 85 6.413 0.514 0.514
650 3HD1 LEU 85 HD12 LEU 85 8.085 -0.083 -0.083
651 1HD2 LEU 85 HD22 LEU 85 5.150 0.569 0.569
652 2HD2 LEU 85 HD23 LEU 85 6.059 -0.050 -0.050
653 3HD2 LEU 85 HD21 LEU 85 5.998 -0.992 -0.992
654 H ILE 86 HN ILE 86 3.584 2.003 2.003
655 HA ILE 86 HA ILE 86 2.576 0.525 0.525
656 HB ILE 86 HB ILE 86 2.047 3.359 3.359
657 1HG1 ILE 86 HG12 ILE 86 -0.207 2.660 2.660
658 2HG1 ILE 86 HG13 ILE 86 0.107 1.079 1.079
659 1HG2 ILE 86 HG21 ILE 86 1.708 1.841 1.841
660 2HG2 ILE 86 HG22 ILE 86 0.517 3.080 3.080
661 3HG2 ILE 86 HG23 ILE 86 2.231 3.521 3.521
662 1HD1 ILE 86 HD13 ILE 86 1.899 1.597 1.597
663 2HD1 ILE 86 HD11 ILE 86 0.192 1.768 1.768
664 3HD1 ILE 86 HD12 ILE 86 0.765 0.248 0.248
665 H ALA 87 HN ALA 87 3.768 -0.849 -0.849
666 HA ALA 87 HA ALA 87 4.735 0.304 0.304
667 1HB ALA 87 HB3 ALA 87 6.238 -0.973 -0.973
668 2HB ALA 87 HB1 ALA 87 6.329 -1.949 -1.949
669 3HB ALA 87 HB2 ALA 87 6.827 -0.240 -0.240
670 H GLY 88 HN GLY 88 3.369 -0.455 -0.455
671 1HA GLY 88 HA1 GLY 88 2.830 -3.346 -3.346
672 2HA GLY 88 HA2 GLY 88 1.485 -2.225 -2.225
673 H LYS 89 HN LYS 89 1.548 -3.810 -3.810
674 HA LYS 89 HA LYS 89 3.262 -3.282 -3.282
675 1HB LYS 89 HB2 LYS 89 1.438 -5.055 -5.055
676 2HB LYS 89 HB3 LYS 89 0.305 -3.830 -3.830
677 1HG LYS 89 HG2 LYS 89 1.098 -3.849 -3.849
678 2HG LYS 89 HG3 LYS 89 2.767 -4.034 -4.034
679 1HD LYS 89 HD2 LYS 89 1.834 -6.475 -6.475
680 2HD LYS 89 HD3 LYS 89 0.697 -6.143 -6.143
681 1HE LYS 89 HE2 LYS 89 3.440 -5.453 -5.453
682 2HE LYS 89 HE3 LYS 89 3.332 -7.125 -7.125
683 1HZ LYS 89 HZ2 LYS 89 1.164 -6.311 -6.311
684 2HZ LYS 89 HZ3 LYS 89 2.613 -6.202 -6.202
685 3HZ LYS 89 HZ1 LYS 89 2.125 -7.627 -7.627
686 H ALA 90 HN ALA 90 0.677 -1.294 -1.294
687 HA ALA 90 HA ALA 90 0.354 0.906 0.906
688 1HB ALA 90 HB2 ALA 90 2.814 0.758 0.758
689 2HB ALA 90 HB3 ALA 90 1.942 1.041 1.041
690 3HB ALA 90 HB1 ALA 90 1.816 2.220 2.220
691 H GLU 91 HN GLU 91 -0.513 2.410 2.410
692 HA GLU 91 HA GLU 91 -2.069 0.655 0.655
693 1HB GLU 91 HB2 GLU 91 -3.299 1.528 1.528
694 2HB GLU 91 HB3 GLU 91 -3.407 3.039 3.039
695 1HG GLU 91 HG2 GLU 91 -5.425 1.613 1.613
696 2HG GLU 91 HG3 GLU 91 -4.586 1.941 1.941
697 H GLY 92 HN GLY 92 -0.762 3.894 3.894
698 1HA GLY 92 HA1 GLY 92 0.063 4.479 4.479
699 2HA GLY 92 HA2 GLY 92 -1.541 5.163 5.163
700 H ASP 93 HN ASP 93 -0.774 7.347 7.347
701 HA ASP 93 HA ASP 93 1.020 8.095 8.095
702 1HB ASP 93 HB2 ASP 93 0.191 9.255 9.255
703 2HB ASP 93 HB3 ASP 93 0.541 10.419 10.419
704 H GLY 94 HN GLY 94 0.241 9.278 9.278
705 1HA GLY 94 HA1 GLY 94 -1.125 10.684 10.684
706 2HA GLY 94 HA2 GLY 94 -2.206 10.809 10.809
707 H LYS 95 HN LYS 95 -1.681 7.544 7.544
708 HA LYS 95 HA LYS 95 -3.213 6.861 6.861
709 1HB LYS 95 HB2 LYS 95 -5.296 6.266 6.266
710 2HB LYS 95 HB3 LYS 95 -4.978 7.921 7.921
711 1HG LYS 95 HG2 LYS 95 -4.138 5.619 5.619
712 2HG LYS 95 HG3 LYS 95 -5.792 6.195 6.195
713 1HD LYS 95 HD2 LYS 95 -5.230 8.225 8.225
714 2HD LYS 95 HD3 LYS 95 -3.674 8.308 8.308
715 1HE LYS 95 HE2 LYS 95 -2.591 7.236 7.236
716 2HE LYS 95 HE3 LYS 95 -3.863 6.044 6.044
717 1HZ LYS 95 HZ1 LYS 95 -4.029 8.813 8.813
718 2HZ LYS 95 HZ2 LYS 95 -3.673 7.517 7.517
719 3HZ LYS 95 HZ3 LYS 95 -5.147 7.646 7.646
720 H MET 96 HN MET 96 -3.077 4.637 4.637
721 HA MET 96 HA MET 96 -1.993 3.034 3.034
722 1HB MET 96 HB2 MET 96 -0.718 2.364 2.364
723 2HB MET 96 HB3 MET 96 0.046 2.753 2.753
724 1HG MET 96 HG2 MET 96 -0.582 5.248 5.248
725 2HG MET 96 HG3 MET 96 -0.805 4.655 4.655
726 1HE MET 96 HE1 MET 96 0.675 3.650 3.650
727 2HE MET 96 HE2 MET 96 2.453 3.695 3.695
728 3HE MET 96 HE3 MET 96 1.533 5.195 5.195
729 H HIS 97 HN HIS 97 -1.413 0.762 0.762
730 HA HIS 97 HA HIS 97 -4.022 0.248 0.248
731 1HB HIS 97 HB2 HIS 97 -2.976 -0.968 -0.968
732 2HB HIS 97 HB3 HIS 97 -3.382 -2.162 -2.162
733 HD1 HIS 97 HD1 HIS 97 -5.269 -2.724 -2.724
734 HD2 HIS 97 HD2 HIS 97 -5.798 0.774 0.774
735 HE1 HIS 97 HE1 HIS 97 -7.713 -2.051 -2.051
736 H ILE 98 HN ILE 98 -3.858 -0.788 -0.788
737 HA ILE 98 HA ILE 98 -1.427 -2.299 -2.299
738 HB ILE 98 HB ILE 98 -1.147 -1.152 -1.152
739 1HG1 ILE 98 HG12 ILE 98 -3.262 0.698 0.698
740 2HG1 ILE 98 HG13 ILE 98 -3.304 -0.203 -0.203
741 1HG2 ILE 98 HG22 ILE 98 -0.066 -0.541 -0.541
742 2HG2 ILE 98 HG23 ILE 98 -0.848 1.017 1.017
743 3HG2 ILE 98 HG21 ILE 98 0.333 0.328 0.328
744 1HD1 ILE 98 HD11 ILE 98 -1.016 1.712 1.712
745 2HD1 ILE 98 HD12 ILE 98 -2.622 2.381 2.381
746 3HD1 ILE 98 HD13 ILE 98 -1.840 1.248 1.248
747 H THR 99 HN THR 99 -1.736 -4.010 -4.010
748 HA THR 99 HA THR 99 -4.366 -4.204 -4.204
749 HB THR 99 HB THR 99 -4.189 -6.716 -6.716
750 HG1 THR 99 HG1 THR 99 -3.219 -6.428 -6.428
751 1HG2 THR 99 HG21 THR 99 -5.585 -4.339 -4.339
752 2HG2 THR 99 HG22 THR 99 -4.972 -5.134 -5.134
753 3HG2 THR 99 HG23 THR 99 -6.021 -6.030 -6.030
754 H LEU 100 HN LEU 100 -4.463 -5.923 -5.923
755 HA LEU 100 HA LEU 100 -2.308 -5.737 -5.737
756 1HB LEU 100 HB2 LEU 100 -3.541 -6.998 -6.998
757 2HB LEU 100 HB3 LEU 100 -4.790 -6.393 -6.393
758 HG LEU 100 HG LEU 100 -3.525 -9.081 -9.081
759 1HD1 LEU 100 HD11 LEU 100 -5.482 -8.353 -8.353
760 2HD1 LEU 100 HD12 LEU 100 -5.672 -9.902 -9.902
761 3HD1 LEU 100 HD13 LEU 100 -4.158 -9.542 -9.542
762 1HD2 LEU 100 HD22 LEU 100 -5.505 -7.534 -7.534
763 2HD2 LEU 100 HD23 LEU 100 -5.006 -9.205 -9.205
764 3HD2 LEU 100 HD21 LEU 100 -6.347 -8.898 -8.898
765 H CYS 101 HN CYS 101 -3.212 -8.338 -8.338
766 HA CYS 101 HA CYS 101 -1.156 -10.069 -10.069
767 1HB CYS 101 HB2 CYS 101 -3.267 -10.362 -10.362
768 2HB CYS 101 HB3 CYS 101 -2.175 -9.889 -9.889
769 H ASP 102 HN ASP 102 -1.337 -7.152 -7.152
770 HA ASP 102 HA ASP 102 1.119 -7.614 -7.614
771 1HB ASP 102 HB2 ASP 102 -0.942 -5.987 -5.987
772 2HB ASP 102 HB3 ASP 102 -0.022 -4.846 -4.846
773 H PHE 103 HN PHE 103 2.963 -5.839 -5.839
774 HA PHE 103 HA PHE 103 3.818 -5.920 -5.920
775 1HB PHE 103 HB2 PHE 103 5.446 -5.991 -5.991
776 2HB PHE 103 HB3 PHE 103 4.694 -4.646 -4.646
777 HD1 PHE 103 HD2 PHE 103 5.135 -4.290 -4.290
778 HD2 PHE 103 HD1 PHE 103 6.972 -3.673 -3.673
779 HE1 PHE 103 HE2 PHE 103 6.779 -2.716 -2.716
780 HE2 PHE 103 HE1 PHE 103 8.616 -2.099 -2.099
781 HZ PHE 103 HZ PHE 103 8.501 -1.639 -1.639
782 H ILE 104 HN ILE 104 3.197 -4.586 -4.586
783 HA ILE 104 HA ILE 104 3.189 -1.779 -1.779
784 HB ILE 104 HB ILE 104 0.713 -1.622 -1.622
785 1HG1 ILE 104 HG12 ILE 104 0.709 -4.310 -4.310
786 2HG1 ILE 104 HG13 ILE 104 0.310 -4.011 -4.011
787 1HG2 ILE 104 HG22 ILE 104 2.026 -1.176 -1.176
788 2HG2 ILE 104 HG23 ILE 104 0.741 -2.295 -2.295
789 3HG2 ILE 104 HG21 ILE 104 0.320 -0.776 -0.776
790 1HD1 ILE 104 HD12 ILE 104 -1.504 -2.378 -2.378
791 2HD1 ILE 104 HD13 ILE 104 -1.224 -3.133 -3.133
792 3HD1 ILE 104 HD11 ILE 104 -1.797 -4.120 -4.120
793 H VAL 105 HN VAL 105 3.677 -0.827 -0.827
794 HA VAL 105 HA VAL 105 2.887 -2.137 -2.137
795 HB VAL 105 HB VAL 105 5.560 -1.719 -1.719
796 1HG1 VAL 105 HG13 VAL 105 3.928 -3.621 -3.621
797 2HG1 VAL 105 HG11 VAL 105 4.496 -4.407 -4.407
798 3HG1 VAL 105 HG12 VAL 105 5.651 -4.025 -4.025
799 1HG2 VAL 105 HG21 VAL 105 5.266 -2.916 -2.916
800 2HG2 VAL 105 HG22 VAL 105 6.163 -1.448 -1.448
801 3HG2 VAL 105 HG23 VAL 105 6.735 -3.047 -3.047
802 HA PRO 106 HA PRO 106 2.944 1.978 1.978
803 1HB PRO 106 HB2 PRO 106 3.322 1.762 1.762
804 2HB PRO 106 HB3 PRO 106 1.776 1.483 1.483
805 1HG PRO 106 HG2 PRO 106 3.681 -0.492 -0.492
806 2HG PRO 106 HG3 PRO 106 1.983 -0.699 -0.699
807 1HD PRO 106 HD2 PRO 106 4.216 -1.626 -1.626
808 2HD PRO 106 HD3 PRO 106 2.523 -1.732 -1.732
809 H TRP 107 HN TRP 107 5.632 0.426 0.426
810 HA TRP 107 HA TRP 107 7.731 1.113 1.113
811 1HB TRP 107 HB2 TRP 107 6.725 3.301 3.301
812 2HB TRP 107 HB3 TRP 107 6.836 3.802 3.802
813 HD1 TRP 107 HD1 TRP 107 9.436 2.333 2.333
814 HE1 TRP 107 HE1 TRP 107 11.713 3.658 3.658
815 HE3 TRP 107 HE3 TRP 107 7.942 5.522 5.522
816 HZ2 TRP 107 HZ2 TRP 107 12.613 5.843 5.843
817 HZ3 TRP 107 HZ3 TRP 107 9.579 7.222 7.222
818 HH2 TRP 107 HH2 TRP 107 11.846 7.413 7.413
819 H ASP 108 HN ASP 108 6.350 2.681 2.681
820 HA ASP 108 HA ASP 108 8.653 2.172 2.172
821 1HB ASP 108 HB2 ASP 108 6.821 3.900 3.900
822 2HB ASP 108 HB3 ASP 108 5.810 2.587 2.587
823 H THR 109 HN THR 109 8.273 -0.273 -0.273
824 HA THR 109 HA THR 109 7.735 -1.964 -1.964
825 HB THR 109 HB THR 109 5.981 -3.279 -3.279
826 HG1 THR 109 HG1 THR 109 6.081 -2.175 -2.175
827 1HG2 THR 109 HG22 THR 109 5.422 -1.735 -1.735
828 2HG2 THR 109 HG23 THR 109 5.085 -0.473 -0.473
829 3HG2 THR 109 HG21 THR 109 4.124 -1.972 -1.972
830 H LEU 110 HN LEU 110 7.989 -1.980 -1.980
831 HA LEU 110 HA LEU 110 8.934 -3.849 -3.849
832 1HB LEU 110 HB2 LEU 110 11.157 -1.981 -1.981
833 2HB LEU 110 HB3 LEU 110 11.156 -3.037 -3.037
834 HG LEU 110 HG LEU 110 9.219 -0.745 -0.745
835 1HD1 LEU 110 HD12 LEU 110 11.699 -0.160 -0.160
836 2HD1 LEU 110 HD13 LEU 110 11.509 -0.762 -0.762
837 3HD1 LEU 110 HD11 LEU 110 10.525 0.607 0.607
838 1HD2 LEU 110 HD21 LEU 110 9.097 -2.968 -2.968
839 2HD2 LEU 110 HD22 LEU 110 8.071 -1.514 -1.514
840 3HD2 LEU 110 HD23 LEU 110 9.542 -1.564 -1.564
841 H SER 111 HN SER 111 11.973 -3.420 -3.420
842 HA SER 111 HA SER 111 12.135 -4.788 -4.788
843 1HB SER 111 HB2 SER 111 11.186 -6.718 -6.718
844 2HB SER 111 HB3 SER 111 12.406 -7.303 -7.303
845 HG SER 111 HG SER 111 9.806 -6.215 -6.215
846 H THR 112 HN THR 112 13.114 -5.128 -5.128
847 HA THR 112 HA THR 112 15.586 -4.155 -4.155
848 HB THR 112 HB THR 112 15.462 -6.758 -6.758
849 HG1 THR 112 HG1 THR 112 17.478 -5.655 -5.655
850 1HG2 THR 112 HG23 THR 112 17.471 -6.204 -6.204
851 2HG2 THR 112 HG21 THR 112 17.965 -7.083 -7.083
852 3HG2 THR 112 HG22 THR 112 16.683 -7.744 -7.744
853 H THR 113 HN THR 113 14.510 -7.494 -7.494
854 HA THR 113 HA THR 113 15.667 -7.484 -7.484
855 HB THR 113 HB THR 113 13.108 -8.792 -8.792
856 HG1 THR 113 HG1 THR 113 15.106 -9.342 -9.342
857 1HG2 THR 113 HG23 THR 113 14.862 -9.511 -9.511
858 2HG2 THR 113 HG21 THR 113 13.547 -10.516 -10.516
859 3HG2 THR 113 HG22 THR 113 13.179 -8.940 -8.940
860 H GLN 114 HN GLN 114 12.833 -5.721 -5.721
861 HA GLN 114 HA GLN 114 11.932 -5.262 -5.262
862 1HB GLN 114 HB2 GLN 114 11.025 -4.497 -4.497
863 2HB GLN 114 HB3 GLN 114 10.477 -3.503 -3.503
864 1HG GLN 114 HG2 GLN 114 8.798 -5.089 -5.089
865 2HG GLN 114 HG3 GLN 114 9.955 -5.915 -5.915
866 1HE2 GLN 114 HE22 GLN 114 11.128 -8.118 -8.118
867 2HE2 GLN 114 HE21 GLN 114 11.755 -7.035 -7.035
868 H LYS 115 HN LYS 115 13.976 -3.696 -3.696
869 HA LYS 115 HA LYS 115 13.951 -1.148 -1.148
870 1HB LYS 115 HB2 LYS 115 15.054 -2.353 -2.353
871 2HB LYS 115 HB3 LYS 115 16.185 -1.259 -1.259
872 1HG LYS 115 HG2 LYS 115 14.827 0.605 0.605
873 2HG LYS 115 HG3 LYS 115 13.341 -0.316 -0.316
874 1HD LYS 115 HD2 LYS 115 15.206 -0.125 -0.125
875 2HD LYS 115 HD3 LYS 115 13.529 0.371 0.371
876 1HE LYS 115 HE2 LYS 115 13.034 -2.155 -2.155
877 2HE LYS 115 HE3 LYS 115 14.648 -2.454 -2.454
878 1HZ LYS 115 HZ1 LYS 115 13.839 -1.057 -1.057
879 2HZ LYS 115 HZ2 LYS 115 12.337 -1.399 -1.399
880 3HZ LYS 115 HZ3 LYS 115 13.345 -2.609 -2.609
881 H LYS 116 HN LYS 116 16.107 -4.037 -4.037
882 HA LYS 116 HA LYS 116 18.146 -2.890 -2.890
883 1HB LYS 116 HB2 LYS 116 19.078 -5.029 -5.029
884 2HB LYS 116 HB3 LYS 116 18.178 -5.001 -5.001
885 1HG LYS 116 HG2 LYS 116 17.067 -6.850 -6.850
886 2HG LYS 116 HG3 LYS 116 16.299 -5.872 -5.872
887 1HD LYS 116 HD2 LYS 116 18.827 -6.365 -6.365
888 2HD LYS 116 HD3 LYS 116 18.468 -7.866 -7.866
889 1HE LYS 116 HE2 LYS 116 16.307 -8.055 -8.055
890 2HE LYS 116 HE3 LYS 116 16.560 -6.498 -6.498
891 1HZ LYS 116 HZ1 LYS 116 18.478 -8.690 -8.690
892 2HZ LYS 116 HZ2 LYS 116 17.194 -8.517 -8.517
893 3HZ LYS 116 HZ3 LYS 116 18.327 -7.345 -7.345
894 H SER 117 HN SER 117 14.907 -3.693 -3.693
895 HA SER 117 HA SER 117 15.587 -4.167 -4.167
896 1HB SER 117 HB2 SER 117 13.595 -5.190 -5.190
897 2HB SER 117 HB3 SER 117 12.721 -4.026 -4.026
898 HG SER 117 HG SER 117 13.093 -6.393 -6.393
899 H LEU 118 HN LEU 118 14.771 -1.624 -1.624
900 HA LEU 118 HA LEU 118 13.231 -0.028 -0.028
901 1HB LEU 118 HB2 LEU 118 14.771 0.535 0.535
902 2HB LEU 118 HB3 LEU 118 13.898 1.780 1.780
903 HG LEU 118 HG LEU 118 12.679 -0.725 -0.725
904 1HD1 LEU 118 HD11 LEU 118 13.360 1.815 1.815
905 2HD1 LEU 118 HD12 LEU 118 11.592 1.608 1.608
906 3HD1 LEU 118 HD13 LEU 118 12.630 0.380 0.380
907 1HD2 LEU 118 HD23 LEU 118 11.520 1.501 1.501
908 2HD2 LEU 118 HD21 LEU 118 11.301 -0.259 -0.259
909 3HD2 LEU 118 HD22 LEU 118 10.520 0.624 0.624
910 H ASN 119 HN ASN 119 16.694 -0.615 -0.615
911 HA ASN 119 HA ASN 119 17.402 1.682 1.682
912 1HB ASN 119 HB2 ASN 119 19.744 0.820 0.820
913 2HB ASN 119 HB3 ASN 119 18.886 0.953 0.953
914 1HD2 ASN 119 HD22 ASN 119 20.025 -2.677 -2.677
915 2HD2 ASN 119 HD21 ASN 119 20.099 -1.197 -1.197
916 H HIS 120 HN HIS 120 16.554 -1.677 -1.677
917 HA HIS 120 HA HIS 120 18.026 -1.948 -1.948
918 1HB HIS 120 HB2 HIS 120 16.629 -3.701 -3.701
919 2HB HIS 120 HB3 HIS 120 16.257 -4.088 -4.088
920 HD1 HIS 120 HD1 HIS 120 17.615 -6.337 -6.337
921 HD2 HIS 120 HD2 HIS 120 19.890 -2.832 -2.832
922 HE1 HIS 120 HE1 HIS 120 20.060 -7.053 -7.053
923 H ARG 121 HN ARG 121 16.386 0.305 0.305
924 HA ARG 121 HA ARG 121 14.806 1.269 1.269
925 1HB ARG 121 HB2 ARG 121 15.458 -1.093 -1.093
926 2HB ARG 121 HB3 ARG 121 14.146 -0.028 -0.028
927 1HG ARG 121 HG2 ARG 121 16.820 1.161 1.161
928 2HG ARG 121 HG3 ARG 121 16.621 0.478 0.478
929 1HD ARG 121 HD2 ARG 121 14.314 2.135 2.135
930 2HD ARG 121 HD3 ARG 121 15.754 3.056 3.056
931 HE ARG 121 HE ARG 121 14.919 2.145 2.145
932 1HH1 ARG 121 HH22 ARG 121 17.626 3.244 3.244
933 2HH1 ARG 121 HH21 ARG 121 18.561 3.772 3.772
934 1HH2 ARG 121 HH12 ARG 121 16.151 2.843 2.843
935 2HH2 ARG 121 HH11 ARG 121 17.716 3.543 3.543
936 H TYR 122 HN TYR 122 13.484 -1.669 -1.669
937 HA TYR 122 HA TYR 122 11.491 -1.978 -1.978
938 1HB TYR 122 HB2 TYR 122 9.674 -1.558 -1.558
939 2HB TYR 122 HB3 TYR 122 10.722 -0.153 -0.153
940 HD1 TYR 122 HD2 TYR 122 9.734 -3.107 -3.107
941 HD2 TYR 122 HD1 TYR 122 12.086 0.466 0.466
942 HE1 TYR 122 HE2 TYR 122 10.092 -3.281 -3.281
943 HE2 TYR 122 HE1 TYR 122 12.437 0.280 0.280
944 HH TYR 122 HH TYR 122 11.116 -2.477 -2.477
945 H GLN 123 HN GLN 123 13.772 -3.385 -3.385
946 HA GLN 123 HA GLN 123 13.071 -5.899 -5.899
947 1HB GLN 123 HB2 GLN 123 11.016 -5.637 -5.637
948 2HB GLN 123 HB3 GLN 123 11.901 -4.974 -4.974
949 1HG GLN 123 HG2 GLN 123 13.181 -7.442 -7.442
950 2HG GLN 123 HG3 GLN 123 11.472 -7.780 -7.780
951 1HE2 GLN 123 HE22 GLN 123 11.042 -8.193 -8.193
952 2HE2 GLN 123 HE21 GLN 123 10.782 -8.714 -8.714
953 H MET 124 HN MET 124 15.448 -4.922 -4.922
954 HA MET 124 HA MET 124 16.859 -4.737 -4.737
955 1HB MET 124 HB2 MET 124 17.314 -4.396 -4.396
956 2HB MET 124 HB3 MET 124 18.593 -5.417 -5.417
957 1HG MET 124 HG2 MET 124 17.992 -3.102 -3.102
958 2HG MET 124 HG3 MET 124 18.523 -2.629 -2.629
959 1HE MET 124 HE3 MET 124 19.507 -3.358 -3.358
960 2HE MET 124 HE1 MET 124 20.261 -1.947 -1.947
961 3HE MET 124 HE2 MET 124 21.277 -3.272 -3.272
962 H GLY 125 HN GLY 125 15.577 -7.019 -7.019
963 1HA GLY 125 HA1 GLY 125 15.791 -9.201 -9.201
964 2HA GLY 125 HA2 GLY 125 17.515 -8.898 -8.898
965 H CYS 126 HN CYS 126 15.761 -8.289 -8.289
966 HA CYS 126 HA CYS 126 17.443 -9.908 -9.908
967 1HB CYS 126 HB2 CYS 126 16.284 -9.209 -9.209
968 2HB CYS 126 HB3 CYS 126 15.806 -7.975 -7.975
969 H GLU 127 HN GLU 127 15.765 -11.499 -11.499
970 HA GLU 127 HA GLU 127 13.987 -13.092 -13.092
971 1HB GLU 127 HB2 GLU 127 16.042 -13.734 -13.734
972 2HB GLU 127 HB3 GLU 127 16.759 -14.354 -14.354
973 1HG GLU 127 HG2 GLU 127 14.152 -15.504 -15.504
974 2HG GLU 127 HG3 GLU 127 14.796 -15.612 -15.612
Start of MODEL 11
1 H CYS 1 HN CYS 1 -7.295 -8.130 -8.130
2 HA CYS 1 HA CYS 1 -8.584 -8.776 -8.776
3 1HB CYS 1 HB2 CYS 1 -8.934 -10.810 -10.810
4 2HB CYS 1 HB3 CYS 1 -9.993 -10.743 -10.743
5 H SER 2 HN SER 2 -9.395 -10.959 -10.959
6 HA SER 2 HA SER 2 -7.696 -11.732 -11.732
7 1HB SER 2 HB2 SER 2 -8.807 -14.244 -14.244
8 2HB SER 2 HB3 SER 2 -9.429 -13.099 -13.099
9 HG SER 2 HG SER 2 -11.123 -13.080 -13.080
10 H CYS 3 HN CYS 3 -5.476 -11.761 -11.761
11 HA CYS 3 HA CYS 3 -4.635 -14.251 -14.251
12 1HB CYS 3 HB2 CYS 3 -4.885 -12.770 -12.770
13 2HB CYS 3 HB3 CYS 3 -3.813 -11.599 -11.599
14 H SER 4 HN SER 4 -2.734 -14.941 -14.941
15 HA SER 4 HA SER 4 -1.938 -13.601 -13.601
16 1HB SER 4 HB2 SER 4 -0.177 -15.304 -15.304
17 2HB SER 4 HB3 SER 4 -1.682 -16.044 -16.044
18 HG SER 4 HG SER 4 -0.057 -15.140 -15.140
19 HA PRO 5 HA PRO 5 0.711 -10.741 -10.741
20 1HB PRO 5 HB2 PRO 5 1.027 -9.006 -9.006
21 2HB PRO 5 HB3 PRO 5 -0.302 -8.905 -8.905
22 1HG PRO 5 HG2 PRO 5 -0.321 -9.884 -9.884
23 2HG PRO 5 HG3 PRO 5 -1.672 -9.380 -9.380
24 1HD PRO 5 HD2 PRO 5 -0.917 -12.075 -12.075
25 2HD PRO 5 HD3 PRO 5 -2.196 -11.572 -11.572
26 H VAL 6 HN VAL 6 2.220 -12.579 -12.579
27 HA VAL 6 HA VAL 6 4.194 -12.430 -12.430
28 HB VAL 6 HB VAL 6 3.162 -14.604 -14.604
29 1HG1 VAL 6 HG11 VAL 6 3.967 -13.691 -13.691
30 2HG1 VAL 6 HG12 VAL 6 4.776 -15.233 -15.233
31 3HG1 VAL 6 HG13 VAL 6 3.001 -15.117 -15.117
32 1HG2 VAL 6 HG22 VAL 6 6.038 -13.987 -13.987
33 2HG2 VAL 6 HG23 VAL 6 5.037 -15.163 -15.163
34 3HG2 VAL 6 HG21 VAL 6 5.676 -15.573 -15.573
35 H HIS 7 HN HIS 7 5.918 -13.719 -13.719
36 HA HIS 7 HA HIS 7 7.697 -12.930 -12.930
37 1HB HIS 7 HB2 HIS 7 6.910 -11.100 -11.100
38 2HB HIS 7 HB3 HIS 7 6.543 -12.805 -12.805
39 HD1 HIS 7 HD1 HIS 7 4.106 -13.448 -13.448
40 HD2 HIS 7 HD2 HIS 7 4.665 -9.545 -9.545
41 HE1 HIS 7 HE1 HIS 7 1.784 -12.399 -12.399
42 HA PRO 8 HA PRO 8 8.624 -9.401 -9.401
43 1HB PRO 8 HB2 PRO 8 11.161 -10.165 -10.165
44 2HB PRO 8 HB3 PRO 8 9.750 -10.592 -10.592
45 1HG PRO 8 HG2 PRO 8 11.343 -12.290 -12.290
46 2HG PRO 8 HG3 PRO 8 10.221 -12.777 -12.777
47 1HD PRO 8 HD2 PRO 8 9.739 -12.779 -12.779
48 2HD PRO 8 HD3 PRO 8 8.581 -13.155 -13.155
49 H GLN 9 HN GLN 9 10.482 -10.808 -10.808
50 HA GLN 9 HA GLN 9 11.410 -8.101 -8.101
51 1HB GLN 9 HB2 GLN 9 13.336 -9.447 -9.447
52 2HB GLN 9 HB3 GLN 9 12.699 -10.808 -10.808
53 1HG GLN 9 HG2 GLN 9 13.880 -10.050 -10.050
54 2HG GLN 9 HG3 GLN 9 12.721 -8.741 -8.741
55 1HE2 GLN 9 HE22 GLN 9 14.889 -6.689 -6.689
56 2HE2 GLN 9 HE21 GLN 9 13.342 -7.456 -7.456
57 H GLN 10 HN GLN 10 9.941 -11.114 -11.114
58 HA GLN 10 HA GLN 10 9.951 -10.468 -10.468
59 1HB GLN 10 HB2 GLN 10 9.162 -12.587 -12.587
60 2HB GLN 10 HB3 GLN 10 8.667 -12.412 -12.412
61 1HG GLN 10 HG2 GLN 10 6.624 -12.811 -12.811
62 2HG GLN 10 HG3 GLN 10 6.631 -11.071 -11.071
63 1HE2 GLN 10 HE22 GLN 10 5.626 -11.826 -11.826
64 2HE2 GLN 10 HE21 GLN 10 5.056 -12.174 -12.174
65 H ALA 11 HN ALA 11 8.416 -8.851 -8.851
66 HA ALA 11 HA ALA 11 6.097 -8.007 -8.007
67 1HB ALA 11 HB1 ALA 11 7.018 -8.035 -8.035
68 2HB ALA 11 HB2 ALA 11 6.565 -6.373 -6.373
69 3HB ALA 11 HB3 ALA 11 5.387 -7.695 -7.695
70 H PHE 12 HN PHE 12 9.387 -6.850 -6.850
71 HA PHE 12 HA PHE 12 8.819 -4.272 -4.272
72 1HB PHE 12 HB2 PHE 12 11.291 -5.661 -5.661
73 2HB PHE 12 HB3 PHE 12 11.320 -4.005 -4.005
74 HD1 PHE 12 HD1 PHE 12 8.895 -5.933 -5.933
75 HD2 PHE 12 HD2 PHE 12 11.443 -2.555 -2.555
76 HE1 PHE 12 HE1 PHE 12 8.125 -5.143 -5.143
77 HE2 PHE 12 HE2 PHE 12 10.673 -1.765 -1.765
78 HZ PHE 12 HZ PHE 12 9.023 -3.068 -3.068
79 H CYS 13 HN CYS 13 9.490 -7.348 -7.348
80 HA CYS 13 HA CYS 13 11.169 -6.315 -6.315
81 1HB CYS 13 HB2 CYS 13 10.770 -9.024 -9.024
82 2HB CYS 13 HB3 CYS 13 11.205 -8.915 -8.915
83 H ASN 14 HN ASN 14 7.949 -6.951 -6.951
84 HA ASN 14 HA ASN 14 7.195 -7.670 -7.670
85 1HB ASN 14 HB2 ASN 14 6.256 -8.493 -8.493
86 2HB ASN 14 HB3 ASN 14 5.000 -7.420 -7.420
87 1HD2 ASN 14 HD22 ASN 14 5.873 -10.982 -10.982
88 2HD2 ASN 14 HD21 ASN 14 6.990 -10.216 -10.216
89 H ALA 15 HN ALA 15 6.774 -5.266 -5.266
90 HA ALA 15 HA ALA 15 4.782 -3.703 -3.703
91 1HB ALA 15 HB3 ALA 15 7.195 -2.997 -2.997
92 2HB ALA 15 HB1 ALA 15 5.833 -1.894 -1.894
93 3HB ALA 15 HB2 ALA 15 5.561 -3.424 -3.424
94 H ASP 16 HN ASP 16 5.180 -1.341 -1.341
95 HA ASP 16 HA ASP 16 7.494 -1.207 -1.207
96 1HB ASP 16 HB2 ASP 16 4.668 -1.550 -1.550
97 2HB ASP 16 HB3 ASP 16 5.593 -0.318 -0.318
98 H VAL 17 HN VAL 17 5.925 0.111 0.111
99 HA VAL 17 HA VAL 17 6.600 2.780 2.780
100 HB VAL 17 HB VAL 17 4.482 2.575 2.575
101 1HG1 VAL 17 HG11 VAL 17 3.534 0.895 0.895
102 2HG1 VAL 17 HG12 VAL 17 3.014 2.353 2.353
103 3HG1 VAL 17 HG13 VAL 17 2.425 2.053 2.053
104 1HG2 VAL 17 HG23 VAL 17 5.331 4.661 4.661
105 2HG2 VAL 17 HG21 VAL 17 3.796 4.690 4.690
106 3HG2 VAL 17 HG22 VAL 17 3.795 4.370 4.370
107 H VAL 18 HN VAL 18 7.883 2.511 2.511
108 HA VAL 18 HA VAL 18 6.392 2.008 2.008
109 HB VAL 18 HB VAL 18 9.335 2.314 2.314
110 1HG1 VAL 18 HG13 VAL 18 7.232 0.997 0.997
111 2HG1 VAL 18 HG11 VAL 18 8.563 -0.123 -0.123
112 3HG1 VAL 18 HG12 VAL 18 8.898 1.403 1.403
113 1HG2 VAL 18 HG23 VAL 18 8.935 1.145 1.145
114 2HG2 VAL 18 HG21 VAL 18 9.789 0.138 0.138
115 3HG2 VAL 18 HG22 VAL 18 8.056 -0.126 -0.126
116 H ILE 19 HN ILE 19 5.676 3.736 3.736
117 HA ILE 19 HA ILE 19 7.405 6.073 6.073
118 HB ILE 19 HB ILE 19 5.671 7.609 7.609
119 1HG1 ILE 19 HG12 ILE 19 3.917 5.197 5.197
120 2HG1 ILE 19 HG13 ILE 19 3.638 6.822 6.822
121 1HG2 ILE 19 HG21 ILE 19 7.061 6.416 6.416
122 2HG2 ILE 19 HG22 ILE 19 5.558 5.546 5.546
123 3HG2 ILE 19 HG23 ILE 19 5.617 7.321 7.321
124 1HD1 ILE 19 HD13 ILE 19 3.614 7.528 7.528
125 2HD1 ILE 19 HD11 ILE 19 3.407 5.789 5.789
126 3HD1 ILE 19 HD12 ILE 19 2.198 6.665 6.665
127 H ARG 20 HN ARG 20 7.627 6.701 6.701
128 HA ARG 20 HA ARG 20 6.062 5.363 5.363
129 1HB ARG 20 HB2 ARG 20 8.056 7.651 7.651
130 2HB ARG 20 HB3 ARG 20 7.498 6.547 6.547
131 1HG ARG 20 HG2 ARG 20 8.725 4.728 4.728
132 2HG ARG 20 HG3 ARG 20 8.773 5.390 5.390
133 1HD ARG 20 HD2 ARG 20 10.952 5.468 5.468
134 2HD ARG 20 HD3 ARG 20 10.550 6.849 6.849
135 HE ARG 20 HE ARG 20 9.245 7.344 7.344
136 1HH1 ARG 20 HH22 ARG 20 12.570 6.746 6.746
137 2HH1 ARG 20 HH21 ARG 20 13.254 7.681 7.681
138 1HH2 ARG 20 HH11 ARG 20 11.865 8.730 8.730
139 2HH2 ARG 20 HH12 ARG 20 10.146 8.578 8.578
140 H THR 21 HN THR 21 4.386 6.944 6.944
141 HA THR 21 HA THR 21 3.882 9.517 9.517
142 HB THR 21 HB THR 21 3.080 8.761 8.761
143 HG1 THR 21 HG1 THR 21 1.210 9.883 9.883
144 1HG2 THR 21 HG21 THR 21 2.656 6.303 6.303
145 2HG2 THR 21 HG22 THR 21 1.056 6.954 6.954
146 3HG2 THR 21 HG23 THR 21 1.588 6.952 6.952
147 H LYS 22 HN LYS 22 1.430 9.942 9.942
148 HA LYS 22 HA LYS 22 1.013 8.152 8.152
149 1HB LYS 22 HB2 LYS 22 0.729 10.074 10.074
150 2HB LYS 22 HB3 LYS 22 2.352 10.003 10.003
151 1HG LYS 22 HG2 LYS 22 1.912 11.784 11.784
152 2HG LYS 22 HG3 LYS 22 0.180 11.683 11.683
153 1HD LYS 22 HD2 LYS 22 2.287 12.761 12.761
154 2HD LYS 22 HD3 LYS 22 0.897 13.601 13.601
155 1HE LYS 22 HE2 LYS 22 -0.521 11.768 11.768
156 2HE LYS 22 HE3 LYS 22 0.951 11.457 11.457
157 1HZ LYS 22 HZ1 LYS 22 0.991 13.870 13.870
158 2HZ LYS 22 HZ2 LYS 22 -0.497 14.003 14.003
159 3HZ LYS 22 HZ3 LYS 22 -0.274 13.077 13.077
160 H ALA 23 HN ALA 23 -1.021 7.381 7.381
161 HA ALA 23 HA ALA 23 -2.961 8.840 8.840
162 1HB ALA 23 HB3 ALA 23 -2.627 6.442 6.442
163 2HB ALA 23 HB1 ALA 23 -3.009 6.077 6.077
164 3HB ALA 23 HB2 ALA 23 -4.265 6.740 6.740
165 H VAL 24 HN VAL 24 -3.914 10.497 10.497
166 HA VAL 24 HA VAL 24 -4.734 9.908 9.908
167 HB VAL 24 HB VAL 24 -4.943 12.459 12.459
168 1HG1 VAL 24 HG12 VAL 24 -2.313 10.978 10.978
169 2HG1 VAL 24 HG13 VAL 24 -2.405 12.693 12.693
170 3HG1 VAL 24 HG11 VAL 24 -3.226 11.459 11.459
171 1HG2 VAL 24 HG22 VAL 24 -4.648 12.468 12.468
172 2HG2 VAL 24 HG23 VAL 24 -3.996 13.788 13.788
173 3HG2 VAL 24 HG21 VAL 24 -2.917 12.498 12.498
174 H SER 25 HN SER 25 -5.755 10.999 10.999
175 HA SER 25 HA SER 25 -8.494 10.928 10.928
176 1HB SER 25 HB2 SER 25 -8.328 13.082 13.082
177 2HB SER 25 HB3 SER 25 -7.095 12.652 12.652
178 HG SER 25 HG SER 25 -9.718 12.962 12.962
179 H GLU 26 HN GLU 26 -10.139 10.130 10.130
180 HA GLU 26 HA GLU 26 -8.976 8.422 8.422
181 1HB GLU 26 HB2 GLU 26 -10.545 7.403 7.403
182 2HB GLU 26 HB3 GLU 26 -10.574 6.528 6.528
183 1HG GLU 26 HG2 GLU 26 -8.642 5.532 5.532
184 2HG GLU 26 HG3 GLU 26 -7.847 7.064 7.064
185 H LYS 27 HN LYS 27 -11.147 7.091 7.091
186 HA LYS 27 HA LYS 27 -13.413 8.883 8.883
187 1HB LYS 27 HB2 LYS 27 -11.901 9.874 9.874
188 2HB LYS 27 HB3 LYS 27 -11.796 8.338 8.338
189 1HG LYS 27 HG2 LYS 27 -13.972 8.471 8.471
190 2HG LYS 27 HG3 LYS 27 -14.558 9.398 9.398
191 1HD LYS 27 HD2 LYS 27 -14.334 10.647 10.647
192 2HD LYS 27 HD3 LYS 27 -13.683 11.444 11.444
193 1HE LYS 27 HE2 LYS 27 -11.406 10.753 10.753
194 2HE LYS 27 HE3 LYS 27 -11.980 9.703 9.703
195 1HZ LYS 27 HZ1 LYS 27 -12.664 12.528 12.528
196 2HZ LYS 27 HZ2 LYS 27 -11.160 12.067 12.067
197 3HZ LYS 27 HZ3 LYS 27 -12.459 11.474 11.474
198 H GLU 28 HN GLU 28 -15.095 7.542 7.542
199 HA GLU 28 HA GLU 28 -14.797 4.777 4.777
200 1HB GLU 28 HB2 GLU 28 -16.069 5.444 5.444
201 2HB GLU 28 HB3 GLU 28 -17.108 6.489 6.489
202 1HG GLU 28 HG2 GLU 28 -17.563 4.146 4.146
203 2HG GLU 28 HG3 GLU 28 -17.149 3.498 3.498
204 H VAL 29 HN VAL 29 -14.557 4.421 4.421
205 HA VAL 29 HA VAL 29 -16.750 5.402 5.402
206 HB VAL 29 HB VAL 29 -15.201 4.833 4.833
207 1HG1 VAL 29 HG13 VAL 29 -15.308 7.079 7.079
208 2HG1 VAL 29 HG11 VAL 29 -13.579 6.677 6.677
209 3HG1 VAL 29 HG12 VAL 29 -14.322 6.917 6.917
210 1HG2 VAL 29 HG21 VAL 29 -13.820 3.389 3.389
211 2HG2 VAL 29 HG22 VAL 29 -13.260 3.754 3.754
212 3HG2 VAL 29 HG23 VAL 29 -12.785 4.807 4.807
213 H ASP 30 HN ASP 30 -18.346 3.997 3.997
214 HA ASP 30 HA ASP 30 -18.287 1.385 1.385
215 1HB ASP 30 HB2 ASP 30 -20.004 3.040 3.040
216 2HB ASP 30 HB3 ASP 30 -20.173 1.303 1.303
217 H SER 31 HN SER 31 -18.439 -0.625 -0.625
218 HA SER 31 HA SER 31 -17.234 -0.282 -0.282
219 1HB SER 31 HB2 SER 31 -15.184 -0.713 -0.713
220 2HB SER 31 HB3 SER 31 -15.883 -1.534 -1.534
221 HG SER 31 HG SER 31 -15.926 -2.711 -2.711
222 H GLY 32 HN GLY 32 -19.837 -1.177 -1.177
223 1HA GLY 32 HA1 GLY 32 -21.483 -2.622 -2.622
224 2HA GLY 32 HA2 GLY 32 -20.430 -3.353 -3.353
225 H ASN 33 HN ASN 33 -21.862 -5.213 -5.213
226 HA ASN 33 HA ASN 33 -20.699 -6.058 -6.058
227 1HB ASN 33 HB2 ASN 33 -22.503 -7.743 -7.743
228 2HB ASN 33 HB3 ASN 33 -22.359 -7.805 -7.805
229 1HD2 ASN 33 HD22 ASN 33 -25.410 -5.883 -5.883
230 2HD2 ASN 33 HD21 ASN 33 -24.619 -7.322 -7.322
231 H ASP 34 HN ASP 34 -19.879 -8.455 -8.455
232 HA ASP 34 HA ASP 34 -18.068 -8.833 -8.833
233 1HB ASP 34 HB2 ASP 34 -17.573 -8.905 -8.905
234 2HB ASP 34 HB3 ASP 34 -18.108 -10.566 -10.566
235 H ILE 35 HN ILE 35 -17.643 -11.702 -11.702
236 HA ILE 35 HA ILE 35 -19.924 -12.706 -12.706
237 HB ILE 35 HB ILE 35 -17.360 -14.029 -14.029
238 1HG1 ILE 35 HG12 ILE 35 -16.837 -13.806 -13.806
239 2HG1 ILE 35 HG13 ILE 35 -18.166 -12.668 -12.668
240 1HG2 ILE 35 HG21 ILE 35 -19.784 -15.060 -15.060
241 2HG2 ILE 35 HG22 ILE 35 -18.256 -15.462 -15.462
242 3HG2 ILE 35 HG23 ILE 35 -18.498 -15.914 -15.914
243 1HD1 ILE 35 HD11 ILE 35 -16.069 -12.289 -12.289
244 2HD1 ILE 35 HD12 ILE 35 -15.713 -11.795 -11.795
245 3HD1 ILE 35 HD13 ILE 35 -17.088 -11.072 -11.072
246 H TYR 36 HN TYR 36 -19.470 -11.993 -11.993
247 HA TYR 36 HA TYR 36 -20.844 -14.425 -14.425
248 1HB TYR 36 HB2 TYR 36 -18.536 -13.252 -13.252
249 2HB TYR 36 HB3 TYR 36 -19.670 -12.232 -12.232
250 HD1 TYR 36 HD1 TYR 36 -19.278 -15.913 -15.913
251 HD2 TYR 36 HD2 TYR 36 -20.048 -12.839 -12.839
252 HE1 TYR 36 HE1 TYR 36 -19.466 -17.664 -17.664
253 HE2 TYR 36 HE2 TYR 36 -20.233 -14.600 -14.600
254 HH TYR 36 HH TYR 36 -19.701 -16.739 -16.739
255 H GLY 37 HN GLY 37 -21.503 -11.361 -11.361
256 1HA GLY 37 HA1 GLY 37 -23.562 -10.346 -10.346
257 2HA GLY 37 HA2 GLY 37 -24.048 -11.305 -11.305
258 H ASN 38 HN ASN 38 -21.083 -10.397 -10.397
259 HA ASN 38 HA ASN 38 -22.152 -8.351 -8.351
260 1HB ASN 38 HB2 ASN 38 -19.683 -8.246 -8.246
261 2HB ASN 38 HB3 ASN 38 -20.516 -9.771 -9.771
262 1HD2 ASN 38 HD22 ASN 38 -17.168 -10.489 -10.489
263 2HD2 ASN 38 HD21 ASN 38 -17.834 -9.742 -9.742
264 HA PRO 39 HA PRO 39 -20.694 -4.961 -4.961
265 1HB PRO 39 HB2 PRO 39 -20.304 -3.037 -3.037
266 2HB PRO 39 HB3 PRO 39 -21.883 -3.443 -3.443
267 1HG PRO 39 HG2 PRO 39 -20.716 -4.135 -4.135
268 2HG PRO 39 HG3 PRO 39 -22.397 -4.154 -4.154
269 1HD PRO 39 HD2 PRO 39 -20.672 -6.426 -6.426
270 2HD PRO 39 HD3 PRO 39 -22.317 -6.433 -6.433
271 H ILE 40 HN ILE 40 -18.899 -4.485 -4.485
272 HA ILE 40 HA ILE 40 -16.468 -5.453 -5.453
273 HB ILE 40 HB ILE 40 -17.157 -3.694 -3.694
274 1HG1 ILE 40 HG12 ILE 40 -16.488 -6.640 -6.640
275 2HG1 ILE 40 HG13 ILE 40 -18.050 -5.951 -5.951
276 1HG2 ILE 40 HG22 ILE 40 -14.488 -4.743 -4.743
277 2HG2 ILE 40 HG23 ILE 40 -14.817 -4.400 -4.400
278 3HG2 ILE 40 HG21 ILE 40 -14.936 -3.097 -3.097
279 1HD1 ILE 40 HD13 ILE 40 -16.364 -4.746 -4.746
280 2HD1 ILE 40 HD11 ILE 40 -15.714 -6.396 -6.396
281 3HD1 ILE 40 HD12 ILE 40 -17.420 -6.146 -6.146
282 H LYS 41 HN LYS 41 -17.018 -2.040 -2.040
283 HA LYS 41 HA LYS 41 -16.478 -0.109 -0.109
284 1HB LYS 41 HB2 LYS 41 -17.791 -0.819 -0.819
285 2HB LYS 41 HB3 LYS 41 -16.416 -1.680 -1.680
286 1HG LYS 41 HG2 LYS 41 -16.433 0.414 0.414
287 2HG LYS 41 HG3 LYS 41 -15.147 0.564 0.564
288 1HD LYS 41 HD2 LYS 41 -16.396 2.599 2.599
289 2HD LYS 41 HD3 LYS 41 -16.869 1.651 1.651
290 1HE LYS 41 HE2 LYS 41 -18.831 0.777 0.777
291 2HE LYS 41 HE3 LYS 41 -18.436 2.103 2.103
292 1HZ LYS 41 HZ1 LYS 41 -18.594 2.922 2.922
293 2HZ LYS 41 HZ2 LYS 41 -19.996 2.266 2.266
294 3HZ LYS 41 HZ3 LYS 41 -19.344 3.536 3.536
295 H ARG 42 HN ARG 42 -14.588 0.937 0.937
296 HA ARG 42 HA ARG 42 -12.194 -0.445 -0.445
297 1HB ARG 42 HB2 ARG 42 -11.353 0.959 0.959
298 2HB ARG 42 HB3 ARG 42 -11.666 -0.763 -0.763
299 1HG ARG 42 HG2 ARG 42 -14.108 -0.261 -0.261
300 2HG ARG 42 HG3 ARG 42 -13.650 1.414 1.414
301 1HD ARG 42 HD2 ARG 42 -11.825 0.427 0.427
302 2HD ARG 42 HD3 ARG 42 -12.816 -1.017 -1.017
303 HE ARG 42 HE ARG 42 -14.512 1.245 1.245
304 1HH1 ARG 42 HH22 ARG 42 -12.027 -0.656 -0.656
305 2HH1 ARG 42 HH21 ARG 42 -12.618 -0.317 -0.317
306 1HH2 ARG 42 HH12 ARG 42 -15.293 1.693 1.693
307 2HH2 ARG 42 HH11 ARG 42 -14.487 1.028 1.028
308 H ILE 43 HN ILE 43 -12.733 1.188 1.188
309 HA ILE 43 HA ILE 43 -12.830 3.856 3.856
310 HB ILE 43 HB ILE 43 -12.018 1.906 1.906
311 1HG1 ILE 43 HG12 ILE 43 -12.998 3.785 3.785
312 2HG1 ILE 43 HG13 ILE 43 -13.395 4.589 4.589
313 1HG2 ILE 43 HG23 ILE 43 -9.832 3.102 3.102
314 2HG2 ILE 43 HG21 ILE 43 -10.659 4.598 4.598
315 3HG2 ILE 43 HG22 ILE 43 -10.580 3.213 3.213
316 1HD1 ILE 43 HD13 ILE 43 -14.182 1.841 1.841
317 2HD1 ILE 43 HD11 ILE 43 -14.788 2.422 2.422
318 3HD1 ILE 43 HD12 ILE 43 -15.226 3.281 3.281
319 H GLN 44 HN GLN 44 -11.373 5.628 5.628
320 HA GLN 44 HA GLN 44 -9.075 4.965 4.965
321 1HB GLN 44 HB2 GLN 44 -10.407 7.602 7.602
322 2HB GLN 44 HB3 GLN 44 -8.935 7.519 7.519
323 1HG GLN 44 HG2 GLN 44 -11.703 6.507 6.507
324 2HG GLN 44 HG3 GLN 44 -10.678 7.610 7.610
325 1HE2 GLN 44 HE22 GLN 44 -10.205 3.518 3.518
326 2HE2 GLN 44 HE21 GLN 44 -11.153 4.285 4.285
327 H TYR 45 HN TYR 45 -7.138 6.759 6.759
328 HA TYR 45 HA TYR 45 -6.657 6.708 6.708
329 1HB TYR 45 HB2 TYR 45 -5.269 5.358 5.358
330 2HB TYR 45 HB3 TYR 45 -4.182 6.207 6.207
331 HD1 TYR 45 HD2 TYR 45 -5.923 5.679 5.679
332 HD2 TYR 45 HD1 TYR 45 -4.431 3.155 3.155
333 HE1 TYR 45 HE2 TYR 45 -5.953 3.692 3.692
334 HE2 TYR 45 HE1 TYR 45 -4.467 1.176 1.176
335 HH TYR 45 HH TYR 45 -5.407 1.616 1.616
336 H GLU 46 HN GLU 46 -7.419 9.035 9.035
337 HA GLU 46 HA GLU 46 -5.757 10.622 10.622
338 1HB GLU 46 HB2 GLU 46 -8.185 10.994 10.994
339 2HB GLU 46 HB3 GLU 46 -7.284 11.775 11.775
340 1HG GLU 46 HG2 GLU 46 -6.278 13.358 13.358
341 2HG GLU 46 HG3 GLU 46 -6.884 12.474 12.474
342 H ILE 47 HN ILE 47 -3.639 9.678 9.678
343 HA ILE 47 HA ILE 47 -2.820 10.304 10.304
344 HB ILE 47 HB ILE 47 -0.591 9.699 9.699
345 1HG1 ILE 47 HG12 ILE 47 -1.934 9.884 9.884
346 2HG1 ILE 47 HG13 ILE 47 -0.406 10.564 10.564
347 1HG2 ILE 47 HG23 ILE 47 -2.919 8.073 8.073
348 2HG2 ILE 47 HG21 ILE 47 -1.905 7.491 7.491
349 3HG2 ILE 47 HG22 ILE 47 -1.226 7.613 7.613
350 1HD1 ILE 47 HD11 ILE 47 -0.122 7.771 7.771
351 2HD1 ILE 47 HD12 ILE 47 -0.944 7.951 7.951
352 3HD1 ILE 47 HD13 ILE 47 0.620 8.754 8.754
353 H LYS 48 HN LYS 48 -0.397 11.588 11.588
354 HA LYS 48 HA LYS 48 -1.052 14.182 14.182
355 1HB LYS 48 HB2 LYS 48 -1.382 13.832 13.832
356 2HB LYS 48 HB3 LYS 48 0.355 14.068 14.068
357 1HG LYS 48 HG2 LYS 48 -0.614 16.075 16.075
358 2HG LYS 48 HG3 LYS 48 -1.773 16.036 16.036
359 1HD LYS 48 HD2 LYS 48 1.201 16.607 16.607
360 2HD LYS 48 HD3 LYS 48 -0.120 17.566 17.566
361 1HE LYS 48 HE2 LYS 48 -0.346 15.062 15.062
362 2HE LYS 48 HE3 LYS 48 1.374 15.399 15.399
363 1HZ LYS 48 HZ1 LYS 48 -0.501 17.493 17.493
364 2HZ LYS 48 HZ2 LYS 48 -0.044 16.362 16.362
365 3HZ LYS 48 HZ3 LYS 48 1.075 17.331 17.331
366 H GLN 49 HN GLN 49 0.874 11.535 11.535
367 HA GLN 49 HA GLN 49 2.887 11.104 11.104
368 1HB GLN 49 HB2 GLN 49 2.616 12.099 12.099
369 2HB GLN 49 HB3 GLN 49 2.187 13.655 13.655
370 1HG GLN 49 HG2 GLN 49 4.394 14.366 14.366
371 2HG GLN 49 HG3 GLN 49 5.011 12.754 12.754
372 1HE2 GLN 49 HE22 GLN 49 5.183 11.755 11.755
373 2HE2 GLN 49 HE21 GLN 49 4.843 11.192 11.192
374 H ILE 50 HN ILE 50 4.810 10.952 10.952
375 HA ILE 50 HA ILE 50 5.801 13.386 13.386
376 HB ILE 50 HB ILE 50 5.471 12.617 12.617
377 1HG1 ILE 50 HG12 ILE 50 6.986 10.198 10.198
378 2HG1 ILE 50 HG13 ILE 50 7.554 11.506 11.506
379 1HG2 ILE 50 HG21 ILE 50 3.507 11.484 11.484
380 2HG2 ILE 50 HG22 ILE 50 4.339 9.985 9.985
381 3HG2 ILE 50 HG23 ILE 50 3.774 11.126 11.126
382 1HD1 ILE 50 HD12 ILE 50 5.279 10.393 10.393
383 2HD1 ILE 50 HD13 ILE 50 6.284 9.027 9.027
384 3HD1 ILE 50 HD11 ILE 50 6.986 10.293 10.293
385 H LYS 51 HN LYS 51 6.296 10.239 10.239
386 HA LYS 51 HA LYS 51 8.944 11.073 11.073
387 1HB LYS 51 HB2 LYS 51 8.655 9.486 9.486
388 2HB LYS 51 HB3 LYS 51 9.207 8.398 8.398
389 1HG LYS 51 HG2 LYS 51 10.736 10.757 10.757
390 2HG LYS 51 HG3 LYS 51 10.670 10.539 10.539
391 1HD LYS 51 HD2 LYS 51 11.705 8.400 8.400
392 2HD LYS 51 HD3 LYS 51 11.300 8.169 8.169
393 1HE LYS 51 HE2 LYS 51 13.014 9.626 9.626
394 2HE LYS 51 HE3 LYS 51 13.120 10.462 10.462
395 1HZ LYS 51 HZ3 LYS 51 13.933 7.674 7.674
396 2HZ LYS 51 HZ1 LYS 51 14.947 8.948 8.948
397 3HZ LYS 51 HZ2 LYS 51 14.059 8.482 8.482
398 H MET 52 HN MET 52 9.930 9.346 9.346
399 HA MET 52 HA MET 52 7.870 7.723 7.723
400 1HB MET 52 HB2 MET 52 8.547 8.668 8.668
401 2HB MET 52 HB3 MET 52 7.666 9.794 9.794
402 1HG MET 52 HG2 MET 52 10.038 10.584 10.584
403 2HG MET 52 HG3 MET 52 10.650 9.740 9.740
404 1HE MET 52 HE3 MET 52 9.926 12.748 12.748
405 2HE MET 52 HE1 MET 52 9.292 13.873 13.873
406 3HE MET 52 HE2 MET 52 8.174 12.835 12.835
407 H PHE 53 HN PHE 53 9.439 6.204 6.204
408 HA PHE 53 HA PHE 53 12.028 5.832 5.832
409 1HB PHE 53 HB2 PHE 53 9.586 4.121 4.121
410 2HB PHE 53 HB3 PHE 53 10.959 3.252 3.252
411 HD1 PHE 53 HD2 PHE 53 13.203 4.541 4.541
412 HD2 PHE 53 HD1 PHE 53 9.382 3.329 3.329
413 HE1 PHE 53 HE2 PHE 53 14.135 4.265 4.265
414 HE2 PHE 53 HE1 PHE 53 10.315 3.054 3.054
415 HZ PHE 53 HZ PHE 53 12.679 3.526 3.526
416 H LYS 54 HN LYS 54 9.753 3.865 3.865
417 HA LYS 54 HA LYS 54 11.398 4.542 4.542
418 1HB LYS 54 HB2 LYS 54 12.055 2.323 2.323
419 2HB LYS 54 HB3 LYS 54 10.518 1.708 1.708
420 1HG LYS 54 HG2 LYS 54 12.089 1.148 1.148
421 2HG LYS 54 HG3 LYS 54 11.192 2.515 2.515
422 1HD LYS 54 HD2 LYS 54 13.144 3.933 3.933
423 2HD LYS 54 HD3 LYS 54 14.030 2.426 2.426
424 1HE LYS 54 HE2 LYS 54 14.553 3.482 3.482
425 2HE LYS 54 HE3 LYS 54 13.256 2.397 2.397
426 1HZ LYS 54 HZ2 LYS 54 11.784 4.400 4.400
427 2HZ LYS 54 HZ3 LYS 54 13.150 5.282 5.282
428 3HZ LYS 54 HZ1 LYS 54 12.601 4.392 4.392
429 H GLY 55 HN GLY 55 9.490 6.052 6.052
430 1HA GLY 55 HA1 GLY 55 7.232 4.602 4.602
431 2HA GLY 55 HA2 GLY 55 7.012 6.008 6.008
432 HA PRO 56 HA PRO 56 7.359 7.709 7.709
433 1HB PRO 56 HB2 PRO 56 5.346 9.542 9.542
434 2HB PRO 56 HB3 PRO 56 5.100 7.925 7.925
435 1HG PRO 56 HG2 PRO 56 4.357 9.016 9.016
436 2HG PRO 56 HG3 PRO 56 3.762 7.576 7.576
437 1HD PRO 56 HD2 PRO 56 5.660 7.686 7.686
438 2HD PRO 56 HD3 PRO 56 5.153 6.256 6.256
439 H GLU 57 HN GLU 57 7.099 10.345 10.345
440 HA GLU 57 HA GLU 57 9.226 11.342 11.342
441 1HB GLU 57 HB2 GLU 57 8.308 12.815 12.815
442 2HB GLU 57 HB3 GLU 57 9.926 12.637 12.637
443 1HG GLU 57 HG2 GLU 57 9.780 10.143 10.143
444 2HG GLU 57 HG3 GLU 57 8.302 10.528 10.528
445 H LYS 58 HN LYS 58 5.867 11.950 11.950
446 HA LYS 58 HA LYS 58 5.794 14.528 14.528
447 1HB LYS 58 HB2 LYS 58 4.473 13.590 13.590
448 2HB LYS 58 HB3 LYS 58 3.341 13.045 13.045
449 1HG LYS 58 HG2 LYS 58 2.501 15.143 15.143
450 2HG LYS 58 HG3 LYS 58 4.057 15.724 15.724
451 1HD LYS 58 HD2 LYS 58 3.277 15.401 15.401
452 2HD LYS 58 HD3 LYS 58 3.243 16.918 16.918
453 1HE LYS 58 HE2 LYS 58 5.810 16.101 16.101
454 2HE LYS 58 HE3 LYS 58 5.588 15.371 15.371
455 1HZ LYS 58 HZ3 LYS 58 4.792 18.142 18.142
456 2HZ LYS 58 HZ1 LYS 58 6.377 17.793 17.793
457 3HZ LYS 58 HZ2 LYS 58 5.310 17.398 17.398
458 H ASP 59 HN ASP 59 3.531 11.747 11.747
459 HA ASP 59 HA ASP 59 4.126 10.868 10.868
460 1HB ASP 59 HB2 ASP 59 4.273 12.992 12.992
461 2HB ASP 59 HB3 ASP 59 2.845 13.605 13.605
462 H ILE 60 HN ILE 60 1.993 10.193 10.193
463 HA ILE 60 HA ILE 60 -0.067 9.675 9.675
464 HB ILE 60 HB ILE 60 0.076 8.294 8.294
465 1HG1 ILE 60 HG12 ILE 60 2.401 8.320 8.320
466 2HG1 ILE 60 HG13 ILE 60 1.706 6.714 6.714
467 1HG2 ILE 60 HG23 ILE 60 -1.565 8.084 8.084
468 2HG2 ILE 60 HG21 ILE 60 -0.419 6.739 6.739
469 3HG2 ILE 60 HG22 ILE 60 -1.371 6.872 6.872
470 1HD1 ILE 60 HD12 ILE 60 1.513 8.291 8.291
471 2HD1 ILE 60 HD13 ILE 60 2.986 7.379 7.379
472 3HD1 ILE 60 HD11 ILE 60 1.430 6.530 6.530
473 H GLU 61 HN GLU 61 -0.092 10.002 10.002
474 HA GLU 61 HA GLU 61 -1.257 11.283 11.283
475 1HB GLU 61 HB2 GLU 61 -1.135 12.906 12.906
476 2HB GLU 61 HB3 GLU 61 -2.710 13.108 13.108
477 1HG GLU 61 HG2 GLU 61 -1.077 13.209 13.209
478 2HG GLU 61 HG3 GLU 61 -0.021 13.906 13.906
479 H PHE 62 HN PHE 62 -2.504 9.411 9.411
480 HA PHE 62 HA PHE 62 -5.027 9.169 9.169
481 1HB PHE 62 HB2 PHE 62 -4.531 10.355 10.355
482 2HB PHE 62 HB3 PHE 62 -5.640 9.002 9.002
483 HD1 PHE 62 HD1 PHE 62 -7.799 9.082 9.082
484 HD2 PHE 62 HD2 PHE 62 -5.188 12.426 12.426
485 HE1 PHE 62 HE1 PHE 62 -9.681 10.572 10.572
486 HE2 PHE 62 HE2 PHE 62 -7.070 13.915 13.915
487 HZ PHE 62 HZ PHE 62 -9.293 12.970 12.970
488 H ILE 63 HN ILE 63 -4.500 7.075 7.075
489 HA ILE 63 HA ILE 63 -3.866 5.176 5.176
490 HB ILE 63 HB ILE 63 -3.544 4.541 4.541
491 1HG1 ILE 63 HG12 ILE 63 -2.423 6.867 6.867
492 2HG1 ILE 63 HG13 ILE 63 -1.900 5.986 5.986
493 1HG2 ILE 63 HG21 ILE 63 -2.267 3.694 3.694
494 2HG2 ILE 63 HG22 ILE 63 -1.509 3.356 3.356
495 3HG2 ILE 63 HG23 ILE 63 -3.126 2.707 2.707
496 1HD1 ILE 63 HD11 ILE 63 -0.902 5.345 5.345
497 2HD1 ILE 63 HD12 ILE 63 -0.065 6.453 6.453
498 3HD1 ILE 63 HD13 ILE 63 -0.252 4.735 4.735
499 H TYR 64 HN TYR 64 -4.806 2.894 2.894
500 HA TYR 64 HA TYR 64 -7.560 3.234 3.234
501 1HB TYR 64 HB2 TYR 64 -6.283 1.698 1.698
502 2HB TYR 64 HB3 TYR 64 -7.922 1.366 1.366
503 HD1 TYR 64 HD1 TYR 64 -5.898 4.445 4.445
504 HD2 TYR 64 HD2 TYR 64 -9.558 2.304 2.304
505 HE1 TYR 64 HE1 TYR 64 -6.762 6.305 6.305
506 HE2 TYR 64 HE2 TYR 64 -10.411 4.171 4.171
507 HH TYR 64 HH TYR 64 -9.069 7.171 7.171
508 H THR 65 HN THR 65 -8.549 1.354 1.354
509 HA THR 65 HA THR 65 -7.092 -1.040 -1.040
510 HB THR 65 HB THR 65 -5.724 0.447 0.447
511 HG1 THR 65 HG1 THR 65 -6.338 -0.839 -0.839
512 1HG2 THR 65 HG22 THR 65 -8.470 1.141 1.141
513 2HG2 THR 65 HG23 THR 65 -7.101 1.062 1.062
514 3HG2 THR 65 HG21 THR 65 -7.057 2.199 2.199
515 H ALA 66 HN ALA 66 -8.235 -1.895 -1.895
516 HA ALA 66 HA ALA 66 -11.045 -1.920 -1.920
517 1HB ALA 66 HB2 ALA 66 -9.151 -3.929 -3.929
518 2HB ALA 66 HB3 ALA 66 -10.430 -3.875 -3.875
519 3HB ALA 66 HB1 ALA 66 -10.855 -4.137 -4.137
520 HA PRO 67 HA PRO 67 -12.165 0.145 0.145
521 1HB PRO 67 HB2 PRO 67 -14.713 -0.757 -0.757
522 2HB PRO 67 HB3 PRO 67 -14.312 0.487 0.487
523 1HG PRO 67 HG2 PRO 67 -15.000 -2.349 -2.349
524 2HG PRO 67 HG3 PRO 67 -15.016 -1.011 -1.011
525 1HD PRO 67 HD2 PRO 67 -13.030 -3.072 -3.072
526 2HD PRO 67 HD3 PRO 67 -12.987 -1.671 -1.671
527 H SER 68 HN SER 68 -13.845 -0.553 -0.553
528 HA SER 68 HA SER 68 -13.713 -1.491 -1.491
529 1HB SER 68 HB2 SER 68 -13.492 -3.696 -3.696
530 2HB SER 68 HB3 SER 68 -12.645 -4.088 -4.088
531 HG SER 68 HG SER 68 -15.378 -3.132 -3.132
532 H SER 69 HN SER 69 -11.951 -3.318 -3.318
533 HA SER 69 HA SER 69 -9.852 -1.703 -1.703
534 1HB SER 69 HB2 SER 69 -8.815 -3.959 -3.959
535 2HB SER 69 HB3 SER 69 -10.306 -3.379 -3.379
536 HG SER 69 HG SER 69 -10.685 -5.531 -5.531
537 H ALA 70 HN ALA 70 -10.110 -4.325 -4.325
538 HA ALA 70 HA ALA 70 -8.544 -3.471 -3.471
539 1HB ALA 70 HB3 ALA 70 -6.815 -4.150 -4.150
540 2HB ALA 70 HB1 ALA 70 -6.231 -4.608 -4.608
541 3HB ALA 70 HB2 ALA 70 -6.599 -2.904 -2.904
542 H VAL 71 HN VAL 71 -9.637 -4.919 -4.919
543 HA VAL 71 HA VAL 71 -9.368 -7.750 -7.750
544 HB VAL 71 HB VAL 71 -11.463 -8.064 -8.064
545 1HG1 VAL 71 HG11 VAL 71 -11.596 -6.030 -6.030
546 2HG1 VAL 71 HG12 VAL 71 -11.651 -5.035 -5.035
547 3HG1 VAL 71 HG13 VAL 71 -12.954 -6.199 -6.199
548 1HG2 VAL 71 HG21 VAL 71 -10.859 -6.155 -6.155
549 2HG2 VAL 71 HG22 VAL 71 -11.042 -7.924 -7.924
550 3HG2 VAL 71 HG23 VAL 71 -12.459 -6.893 -6.893
551 H CYS 72 HN CYS 72 -9.106 -5.341 -5.341
552 HA CYS 72 HA CYS 72 -7.412 -7.304 -7.304
553 1HB CYS 72 HB2 CYS 72 -9.064 -5.177 -5.177
554 2HB CYS 72 HB3 CYS 72 -8.143 -6.466 -6.466
555 H GLY 73 HN GLY 73 -6.803 -5.222 -5.222
556 1HA GLY 73 HA1 GLY 73 -4.568 -4.009 -4.009
557 2HA GLY 73 HA2 GLY 73 -5.826 -2.842 -2.842
558 H VAL 74 HN VAL 74 -4.440 -1.772 -1.772
559 HA VAL 74 HA VAL 74 -4.176 -3.311 -3.311
560 HB VAL 74 HB VAL 74 -2.343 -1.210 -1.210
561 1HG1 VAL 74 HG12 VAL 74 -2.365 -2.544 -2.544
562 2HG1 VAL 74 HG13 VAL 74 -0.913 -1.782 -1.782
563 3HG1 VAL 74 HG11 VAL 74 -2.368 -0.806 -0.806
564 1HG2 VAL 74 HG23 VAL 74 -2.337 -3.718 -3.718
565 2HG2 VAL 74 HG21 VAL 74 -0.805 -2.882 -2.882
566 3HG2 VAL 74 HG22 VAL 74 -1.507 -3.992 -3.992
567 H SER 75 HN SER 75 -5.925 -0.982 -0.982
568 HA SER 75 HA SER 75 -6.899 0.922 0.922
569 1HB SER 75 HB2 SER 75 -8.742 0.229 0.229
570 2HB SER 75 HB3 SER 75 -7.908 -1.288 -1.288
571 HG SER 75 HG SER 75 -7.329 -0.674 -0.674
572 H LEU 76 HN LEU 76 -4.997 2.298 2.298
573 HA LEU 76 HA LEU 76 -4.238 2.671 2.671
574 1HB LEU 76 HB2 LEU 76 -2.683 4.036 4.036
575 2HB LEU 76 HB3 LEU 76 -2.155 3.149 3.149
576 HG LEU 76 HG LEU 76 -3.077 1.108 1.108
577 1HD1 LEU 76 HD13 LEU 76 -3.019 3.268 3.268
578 2HD1 LEU 76 HD11 LEU 76 -1.513 2.381 2.381
579 3HD1 LEU 76 HD12 LEU 76 -3.080 1.541 1.541
580 1HD2 LEU 76 HD23 LEU 76 -0.594 2.076 2.076
581 2HD2 LEU 76 HD21 LEU 76 -1.033 0.421 0.421
582 3HD2 LEU 76 HD22 LEU 76 -0.340 1.544 1.544
583 H ASP 77 HN ASP 77 -4.709 4.552 4.552
584 HA ASP 77 HA ASP 77 -6.009 6.581 6.581
585 1HB ASP 77 HB2 ASP 77 -6.963 7.173 7.173
586 2HB ASP 77 HB3 ASP 77 -7.747 5.999 5.999
587 H VAL 78 HN VAL 78 -3.176 5.806 5.806
588 HA VAL 78 HA VAL 78 -1.432 6.972 6.972
589 HB VAL 78 HB VAL 78 -3.141 9.165 9.165
590 1HG1 VAL 78 HG11 VAL 78 -0.714 9.511 9.511
591 2HG1 VAL 78 HG12 VAL 78 -1.049 10.660 10.660
592 3HG1 VAL 78 HG13 VAL 78 -2.241 10.427 10.427
593 1HG2 VAL 78 HG21 VAL 78 -1.676 7.543 7.543
594 2HG2 VAL 78 HG22 VAL 78 -1.517 9.284 9.284
595 3HG2 VAL 78 HG23 VAL 78 -0.292 8.452 8.452
596 H GLY 79 HN GLY 79 -4.437 8.750 8.750
597 1HA GLY 79 HA1 GLY 79 -3.567 9.666 9.666
598 2HA GLY 79 HA2 GLY 79 -5.222 9.236 9.236
599 H GLY 80 HN GLY 80 -3.908 6.367 6.367
600 1HA GLY 80 HA1 GLY 80 -4.015 5.475 5.475
601 2HA GLY 80 HA2 GLY 80 -4.643 4.567 4.567
602 H LYS 81 HN LYS 81 -2.267 5.500 5.500
603 HA LYS 81 HA LYS 81 -0.318 3.641 3.641
604 1HB LYS 81 HB2 LYS 81 0.056 3.979 3.979
605 2HB LYS 81 HB3 LYS 81 -0.312 2.524 2.524
606 1HG LYS 81 HG2 LYS 81 -2.416 4.571 4.571
607 2HG LYS 81 HG3 LYS 81 -2.038 3.131 3.131
608 1HD LYS 81 HD2 LYS 81 -3.012 1.695 1.695
609 2HD LYS 81 HD3 LYS 81 -2.644 2.736 2.736
610 1HE LYS 81 HE2 LYS 81 -4.851 3.318 3.318
611 2HE LYS 81 HE3 LYS 81 -4.392 4.337 4.337
612 1HZ LYS 81 HZ2 LYS 81 -4.696 1.897 1.897
613 2HZ LYS 81 HZ3 LYS 81 -5.903 1.942 1.942
614 3HZ LYS 81 HZ1 LYS 81 -5.797 3.103 3.103
615 H LYS 82 HN LYS 82 0.137 5.809 5.809
616 HA LYS 82 HA LYS 82 1.113 8.052 8.052
617 1HB LYS 82 HB2 LYS 82 3.609 7.606 7.606
618 2HB LYS 82 HB3 LYS 82 2.589 7.069 7.069
619 1HG LYS 82 HG2 LYS 82 2.588 4.865 4.865
620 2HG LYS 82 HG3 LYS 82 4.225 5.475 5.475
621 1HD LYS 82 HD2 LYS 82 4.750 4.562 4.562
622 2HD LYS 82 HD3 LYS 82 3.542 5.562 5.562
623 1HE LYS 82 HE2 LYS 82 1.952 3.871 3.871
624 2HE LYS 82 HE3 LYS 82 2.491 3.178 3.178
625 1HZ LYS 82 HZ2 LYS 82 4.584 2.820 2.820
626 2HZ LYS 82 HZ3 LYS 82 3.296 2.539 2.539
627 3HZ LYS 82 HZ1 LYS 82 3.489 1.682 1.682
628 H GLU 83 HN GLU 83 2.712 5.447 5.447
629 HA GLU 83 HA GLU 83 1.924 6.650 6.650
630 1HB GLU 83 HB2 GLU 83 4.671 6.944 6.944
631 2HB GLU 83 HB3 GLU 83 3.513 8.244 8.244
632 1HG GLU 83 HG2 GLU 83 4.514 6.979 6.979
633 2HG GLU 83 HG3 GLU 83 5.693 7.902 7.902
634 H TYR 84 HN TYR 84 3.100 5.533 5.533
635 HA TYR 84 HA TYR 84 4.375 3.033 3.033
636 1HB TYR 84 HB2 TYR 84 2.616 1.834 1.834
637 2HB TYR 84 HB3 TYR 84 1.946 2.515 2.515
638 HD1 TYR 84 HD2 TYR 84 2.629 3.681 3.681
639 HD2 TYR 84 HD1 TYR 84 -0.109 3.553 3.553
640 HE1 TYR 84 HE2 TYR 84 0.913 4.963 4.963
641 HE2 TYR 84 HE1 TYR 84 -1.815 4.835 4.835
642 HH TYR 84 HH TYR 84 -1.535 5.204 5.204
643 H LEU 85 HN LEU 85 5.433 1.988 1.988
644 HA LEU 85 HA LEU 85 6.197 3.927 3.927
645 1HB LEU 85 HB2 LEU 85 7.825 2.171 2.171
646 2HB LEU 85 HB3 LEU 85 7.962 2.738 2.738
647 HG LEU 85 HG LEU 85 8.146 0.185 0.185
648 1HD1 LEU 85 HD12 LEU 85 7.795 1.598 1.598
649 2HD1 LEU 85 HD13 LEU 85 6.390 0.505 0.505
650 3HD1 LEU 85 HD11 LEU 85 8.035 -0.164 -0.164
651 1HD2 LEU 85 HD21 LEU 85 5.143 0.540 0.540
652 2HD2 LEU 85 HD22 LEU 85 6.058 -0.030 -0.030
653 3HD2 LEU 85 HD23 LEU 85 6.006 -1.015 -1.015
654 H ILE 86 HN ILE 86 3.520 2.092 2.092
655 HA ILE 86 HA ILE 86 2.542 0.551 0.551
656 HB ILE 86 HB ILE 86 2.006 3.377 3.377
657 1HG1 ILE 86 HG12 ILE 86 -0.263 2.663 2.663
658 2HG1 ILE 86 HG13 ILE 86 0.097 1.075 1.075
659 1HG2 ILE 86 HG22 ILE 86 1.732 1.880 1.880
660 2HG2 ILE 86 HG23 ILE 86 0.518 3.101 3.101
661 3HG2 ILE 86 HG21 ILE 86 2.231 3.562 3.562
662 1HD1 ILE 86 HD13 ILE 86 1.828 1.607 1.607
663 2HD1 ILE 86 HD11 ILE 86 0.124 1.860 1.860
664 3HD1 ILE 86 HD12 ILE 86 0.644 0.298 0.298
665 H ALA 87 HN ALA 87 3.722 -0.837 -0.837
666 HA ALA 87 HA ALA 87 4.743 0.304 0.304
667 1HB ALA 87 HB1 ALA 87 6.125 -1.208 -1.208
668 2HB ALA 87 HB2 ALA 87 6.341 -1.898 -1.898
669 3HB ALA 87 HB3 ALA 87 6.794 -0.206 -0.206
670 H GLY 88 HN GLY 88 3.376 -0.410 -0.410
671 1HA GLY 88 HA1 GLY 88 2.807 -3.287 -3.287
672 2HA GLY 88 HA2 GLY 88 1.457 -2.169 -2.169
673 H LYS 89 HN LYS 89 1.650 -3.792 -3.792
674 HA LYS 89 HA LYS 89 3.229 -3.238 -3.238
675 1HB LYS 89 HB2 LYS 89 1.317 -3.832 -3.832
676 2HB LYS 89 HB3 LYS 89 1.506 -4.920 -4.920
677 1HG LYS 89 HG2 LYS 89 -0.185 -2.892 -2.892
678 2HG LYS 89 HG3 LYS 89 -0.737 -3.131 -3.131
679 1HD LYS 89 HD2 LYS 89 -1.360 -5.360 -5.360
680 2HD LYS 89 HD3 LYS 89 -0.192 -5.588 -5.588
681 1HE LYS 89 HE2 LYS 89 -1.865 -5.228 -5.228
682 2HE LYS 89 HE3 LYS 89 -1.902 -3.556 -3.556
683 1HZ LYS 89 HZ3 LYS 89 -3.300 -5.526 -5.526
684 2HZ LYS 89 HZ1 LYS 89 -3.982 -5.049 -5.049
685 3HZ LYS 89 HZ2 LYS 89 -3.652 -3.950 -3.950
686 H ALA 90 HN ALA 90 0.638 -1.155 -1.155
687 HA ALA 90 HA ALA 90 0.450 1.072 1.072
688 1HB ALA 90 HB2 ALA 90 2.982 0.933 0.933
689 2HB ALA 90 HB3 ALA 90 2.380 1.171 1.171
690 3HB ALA 90 HB1 ALA 90 2.055 2.397 2.397
691 H GLU 91 HN GLU 91 -0.270 2.727 2.727
692 HA GLU 91 HA GLU 91 -1.602 1.180 1.180
693 1HB GLU 91 HB2 GLU 91 -3.056 1.839 1.839
694 2HB GLU 91 HB3 GLU 91 -3.089 3.424 3.424
695 1HG GLU 91 HG2 GLU 91 -5.044 2.060 2.060
696 2HG GLU 91 HG3 GLU 91 -4.037 2.476 2.476
697 H GLY 92 HN GLY 92 0.669 3.393 3.393
698 1HA GLY 92 HA1 GLY 92 1.406 4.485 4.485
699 2HA GLY 92 HA2 GLY 92 -0.178 5.233 5.233
700 H ASP 93 HN ASP 93 -0.146 7.328 7.328
701 HA ASP 93 HA ASP 93 1.574 7.912 7.912
702 1HB ASP 93 HB2 ASP 93 1.206 9.428 9.428
703 2HB ASP 93 HB3 ASP 93 1.673 10.291 10.291
704 H GLY 94 HN GLY 94 0.631 9.425 9.425
705 1HA GLY 94 HA1 GLY 94 -0.942 10.800 10.800
706 2HA GLY 94 HA2 GLY 94 -1.798 10.832 10.832
707 H LYS 95 HN LYS 95 -1.234 7.589 7.589
708 HA LYS 95 HA LYS 95 -3.004 6.929 6.929
709 1HB LYS 95 HB2 LYS 95 -5.053 6.503 6.503
710 2HB LYS 95 HB3 LYS 95 -4.594 8.069 8.069
711 1HG LYS 95 HG2 LYS 95 -3.917 5.487 5.487
712 2HG LYS 95 HG3 LYS 95 -5.454 6.298 6.298
713 1HD LYS 95 HD2 LYS 95 -4.525 8.021 8.021
714 2HD LYS 95 HD3 LYS 95 -3.094 8.100 8.100
715 1HE LYS 95 HE2 LYS 95 -1.904 6.857 6.857
716 2HE LYS 95 HE3 LYS 95 -3.094 5.572 5.572
717 1HZ LYS 95 HZ3 LYS 95 -3.885 7.903 7.903
718 2HZ LYS 95 HZ1 LYS 95 -2.633 7.075 7.075
719 3HZ LYS 95 HZ2 LYS 95 -4.058 6.323 6.323
720 H MET 96 HN MET 96 -2.982 4.685 4.685
721 HA MET 96 HA MET 96 -1.871 3.054 3.054
722 1HB MET 96 HB2 MET 96 -0.351 2.109 2.109
723 2HB MET 96 HB3 MET 96 0.219 3.382 3.382
724 1HG MET 96 HG2 MET 96 0.192 4.926 4.926
725 2HG MET 96 HG3 MET 96 -1.434 4.486 4.486
726 1HE MET 96 HE3 MET 96 1.948 4.720 4.720
727 2HE MET 96 HE1 MET 96 1.501 4.882 4.882
728 3HE MET 96 HE2 MET 96 2.501 3.509 3.509
729 H HIS 97 HN HIS 97 -1.404 0.704 0.704
730 HA HIS 97 HA HIS 97 -3.976 0.280 0.280
731 1HB HIS 97 HB2 HIS 97 -2.961 -0.941 -0.941
732 2HB HIS 97 HB3 HIS 97 -3.308 -2.148 -2.148
733 HD1 HIS 97 HD1 HIS 97 -5.284 -2.883 -2.883
734 HD2 HIS 97 HD2 HIS 97 -5.731 0.856 0.856
735 HE1 HIS 97 HE1 HIS 97 -7.735 -2.234 -2.234
736 H ILE 98 HN ILE 98 -3.825 -0.703 -0.703
737 HA ILE 98 HA ILE 98 -1.427 -2.256 -2.256
738 HB ILE 98 HB ILE 98 -0.929 -1.081 -1.081
739 1HG1 ILE 98 HG12 ILE 98 -3.462 0.433 0.433
740 2HG1 ILE 98 HG13 ILE 98 -2.964 -0.369 -0.369
741 1HG2 ILE 98 HG22 ILE 98 -0.284 -0.199 -0.199
742 2HG2 ILE 98 HG23 ILE 98 -1.199 1.223 1.223
743 3HG2 ILE 98 HG21 ILE 98 0.207 0.650 0.650
744 1HD1 ILE 98 HD13 ILE 98 -1.083 1.754 1.754
745 2HD1 ILE 98 HD11 ILE 98 -2.725 2.351 2.351
746 3HD1 ILE 98 HD12 ILE 98 -1.826 1.459 1.459
747 H THR 99 HN THR 99 -1.777 -3.937 -3.937
748 HA THR 99 HA THR 99 -4.386 -4.042 -4.042
749 HB THR 99 HB THR 99 -4.314 -6.563 -6.563
750 HG1 THR 99 HG1 THR 99 -3.316 -6.422 -6.422
751 1HG2 THR 99 HG23 THR 99 -5.686 -4.148 -4.148
752 2HG2 THR 99 HG21 THR 99 -5.143 -4.928 -4.928
753 3HG2 THR 99 HG22 THR 99 -6.170 -5.822 -5.822
754 H LEU 100 HN LEU 100 -4.507 -5.920 -5.920
755 HA LEU 100 HA LEU 100 -2.328 -5.770 -5.770
756 1HB LEU 100 HB2 LEU 100 -3.629 -6.902 -6.902
757 2HB LEU 100 HB3 LEU 100 -4.872 -6.483 -6.483
758 HG LEU 100 HG LEU 100 -3.460 -9.053 -9.053
759 1HD1 LEU 100 HD12 LEU 100 -4.692 -8.435 -8.435
760 2HD1 LEU 100 HD13 LEU 100 -5.434 -9.837 -9.837
761 3HD1 LEU 100 HD11 LEU 100 -3.683 -9.816 -9.816
762 1HD2 LEU 100 HD22 LEU 100 -6.119 -7.831 -7.831
763 2HD2 LEU 100 HD23 LEU 100 -5.145 -8.913 -8.913
764 3HD2 LEU 100 HD21 LEU 100 -6.101 -9.582 -9.582
765 H CYS 101 HN CYS 101 -3.283 -8.250 -8.250
766 HA CYS 101 HA CYS 101 -1.259 -10.052 -10.052
767 1HB CYS 101 HB2 CYS 101 -3.392 -10.271 -10.271
768 2HB CYS 101 HB3 CYS 101 -2.315 -9.769 -9.769
769 H ASP 102 HN ASP 102 -1.415 -7.075 -7.075
770 HA ASP 102 HA ASP 102 1.031 -7.544 -7.544
771 1HB ASP 102 HB2 ASP 102 -1.023 -5.883 -5.883
772 2HB ASP 102 HB3 ASP 102 -0.070 -4.770 -4.770
773 H PHE 103 HN PHE 103 2.883 -5.773 -5.773
774 HA PHE 103 HA PHE 103 3.739 -5.906 -5.906
775 1HB PHE 103 HB2 PHE 103 5.369 -5.985 -5.985
776 2HB PHE 103 HB3 PHE 103 4.639 -4.620 -4.620
777 HD1 PHE 103 HD2 PHE 103 5.105 -4.338 -4.338
778 HD2 PHE 103 HD1 PHE 103 6.908 -3.650 -3.650
779 HE1 PHE 103 HE2 PHE 103 6.771 -2.800 -2.800
780 HE2 PHE 103 HE1 PHE 103 8.575 -2.113 -2.113
781 HZ PHE 103 HZ PHE 103 8.487 -1.705 -1.705
782 H ILE 104 HN ILE 104 3.080 -4.592 -4.592
783 HA ILE 104 HA ILE 104 3.120 -1.774 -1.774
784 HB ILE 104 HB ILE 104 0.659 -1.593 -1.593
785 1HG1 ILE 104 HG12 ILE 104 0.516 -4.242 -4.242
786 2HG1 ILE 104 HG13 ILE 104 0.358 -4.057 -4.057
787 1HG2 ILE 104 HG23 ILE 104 1.927 -1.152 -1.152
788 2HG2 ILE 104 HG21 ILE 104 0.682 -2.317 -2.317
789 3HG2 ILE 104 HG22 ILE 104 0.208 -0.804 -0.804
790 1HD1 ILE 104 HD13 ILE 104 -1.552 -2.406 -2.406
791 2HD1 ILE 104 HD11 ILE 104 -1.471 -2.918 -2.918
792 3HD1 ILE 104 HD12 ILE 104 -1.881 -4.099 -4.099
793 H VAL 105 HN VAL 105 3.627 -0.827 -0.827
794 HA VAL 105 HA VAL 105 2.868 -2.151 -2.151
795 HB VAL 105 HB VAL 105 5.535 -1.734 -1.734
796 1HG1 VAL 105 HG11 VAL 105 3.856 -3.687 -3.687
797 2HG1 VAL 105 HG12 VAL 105 4.595 -4.430 -4.430
798 3HG1 VAL 105 HG13 VAL 105 5.608 -4.004 -4.004
799 1HG2 VAL 105 HG22 VAL 105 5.247 -2.870 -2.870
800 2HG2 VAL 105 HG23 VAL 105 6.130 -1.405 -1.405
801 3HG2 VAL 105 HG21 VAL 105 6.718 -3.009 -3.009
802 HA PRO 106 HA PRO 106 2.911 1.961 1.961
803 1HB PRO 106 HB2 PRO 106 3.282 1.732 1.732
804 2HB PRO 106 HB3 PRO 106 1.739 1.457 1.457
805 1HG PRO 106 HG2 PRO 106 3.640 -0.524 -0.524
806 2HG PRO 106 HG3 PRO 106 1.944 -0.729 -0.729
807 1HD PRO 106 HD2 PRO 106 4.181 -1.649 -1.649
808 2HD PRO 106 HD3 PRO 106 2.489 -1.751 -1.751
809 H TRP 107 HN TRP 107 5.591 0.444 0.444
810 HA TRP 107 HA TRP 107 7.688 1.136 1.136
811 1HB TRP 107 HB2 TRP 107 6.665 3.339 3.339
812 2HB TRP 107 HB3 TRP 107 6.807 3.797 3.797
813 HD1 TRP 107 HD1 TRP 107 9.397 2.316 2.316
814 HE1 TRP 107 HE1 TRP 107 11.664 3.662 3.662
815 HE3 TRP 107 HE3 TRP 107 7.882 5.586 5.586
816 HZ2 TRP 107 HZ2 TRP 107 12.550 5.892 5.892
817 HZ3 TRP 107 HZ3 TRP 107 9.510 7.317 7.317
818 HH2 TRP 107 HH2 TRP 107 11.774 7.501 7.501
819 H ASP 108 HN ASP 108 6.391 2.713 2.713
820 HA ASP 108 HA ASP 108 8.691 2.087 2.087
821 1HB ASP 108 HB2 ASP 108 6.846 3.873 3.873
822 2HB ASP 108 HB3 ASP 108 5.922 2.572 2.572
823 H THR 109 HN THR 109 8.212 -0.334 -0.334
824 HA THR 109 HA THR 109 7.583 -1.995 -1.995
825 HB THR 109 HB THR 109 5.818 -3.240 -3.240
826 HG1 THR 109 HG1 THR 109 5.835 -0.427 -0.427
827 1HG2 THR 109 HG22 THR 109 5.324 -1.857 -1.857
828 2HG2 THR 109 HG23 THR 109 4.957 -0.510 -0.510
829 3HG2 THR 109 HG21 THR 109 4.000 -2.009 -2.009
830 H LEU 110 HN LEU 110 7.893 -2.022 -2.022
831 HA LEU 110 HA LEU 110 8.775 -3.923 -3.923
832 1HB LEU 110 HB2 LEU 110 11.041 -2.138 -2.138
833 2HB LEU 110 HB3 LEU 110 11.071 -3.222 -3.222
834 HG LEU 110 HG LEU 110 9.181 -0.870 -0.870
835 1HD1 LEU 110 HD11 LEU 110 11.699 -0.368 -0.368
836 2HD1 LEU 110 HD12 LEU 110 11.556 -0.970 -0.970
837 3HD1 LEU 110 HD13 LEU 110 10.594 0.432 0.432
838 1HD2 LEU 110 HD22 LEU 110 9.095 -3.120 -3.120
839 2HD2 LEU 110 HD23 LEU 110 8.105 -1.643 -1.643
840 3HD2 LEU 110 HD21 LEU 110 9.623 -1.742 -1.742
841 H SER 111 HN SER 111 11.793 -3.650 -3.650
842 HA SER 111 HA SER 111 11.838 -5.041 -5.041
843 1HB SER 111 HB2 SER 111 10.857 -6.909 -6.909
844 2HB SER 111 HB3 SER 111 12.015 -7.558 -7.558
845 HG SER 111 HG SER 111 10.596 -7.317 -7.317
846 H THR 112 HN THR 112 12.885 -5.393 -5.393
847 HA THR 112 HA THR 112 15.384 -4.533 -4.533
848 HB THR 112 HB THR 112 15.143 -7.139 -7.139
849 HG1 THR 112 HG1 THR 112 16.726 -5.982 -5.982
850 1HG2 THR 112 HG22 THR 112 16.443 -7.752 -7.752
851 2HG2 THR 112 HG23 THR 112 17.606 -6.475 -6.475
852 3HG2 THR 112 HG21 THR 112 17.390 -7.879 -7.879
853 H THR 113 HN THR 113 14.104 -7.811 -7.811
854 HA THR 113 HA THR 113 15.355 -7.937 -7.937
855 HB THR 113 HB THR 113 12.703 -9.068 -9.068
856 HG1 THR 113 HG1 THR 113 14.333 -10.937 -10.937
857 1HG2 THR 113 HG23 THR 113 12.860 -9.204 -9.204
858 2HG2 THR 113 HG21 THR 113 14.437 -10.009 -10.009
859 3HG2 THR 113 HG22 THR 113 12.958 -10.796 -10.796
860 H GLN 114 HN GLN 114 12.711 -5.888 -5.888
861 HA GLN 114 HA GLN 114 11.882 -5.463 -5.463
862 1HB GLN 114 HB2 GLN 114 10.934 -4.597 -4.597
863 2HB GLN 114 HB3 GLN 114 10.500 -3.587 -3.587
864 1HG GLN 114 HG2 GLN 114 8.725 -5.051 -5.051
865 2HG GLN 114 HG3 GLN 114 9.866 -5.989 -5.989
866 1HE2 GLN 114 HE22 GLN 114 10.728 -8.220 -8.220
867 2HE2 GLN 114 HE21 GLN 114 11.482 -7.238 -7.238
868 H LYS 115 HN LYS 115 13.781 -3.860 -3.860
869 HA LYS 115 HA LYS 115 14.005 -1.379 -1.379
870 1HB LYS 115 HB2 LYS 115 15.056 -2.674 -2.674
871 2HB LYS 115 HB3 LYS 115 16.201 -1.579 -1.579
872 1HG LYS 115 HG2 LYS 115 14.873 0.295 0.295
873 2HG LYS 115 HG3 LYS 115 13.373 -0.597 -0.597
874 1HD LYS 115 HD2 LYS 115 15.247 -0.577 -0.577
875 2HD LYS 115 HD3 LYS 115 13.622 0.074 0.074
876 1HE LYS 115 HE2 LYS 115 12.917 -2.390 -2.390
877 2HE LYS 115 HE3 LYS 115 14.485 -2.838 -2.838
878 1HZ LYS 115 HZ1 LYS 115 13.739 -1.405 -1.405
879 2HZ LYS 115 HZ2 LYS 115 12.231 -1.643 -1.643
880 3HZ LYS 115 HZ3 LYS 115 13.152 -2.922 -2.922
881 H LYS 116 HN LYS 116 15.863 -4.445 -4.445
882 HA LYS 116 HA LYS 116 18.054 -3.426 -3.426
883 1HB LYS 116 HB2 LYS 116 18.490 -5.845 -5.845
884 2HB LYS 116 HB3 LYS 116 18.300 -5.458 -5.458
885 1HG LYS 116 HG2 LYS 116 16.225 -6.526 -6.526
886 2HG LYS 116 HG3 LYS 116 15.823 -6.253 -6.253
887 1HD LYS 116 HD2 LYS 116 18.151 -7.892 -7.892
888 2HD LYS 116 HD3 LYS 116 17.137 -8.558 -8.558
889 1HE LYS 116 HE2 LYS 116 15.185 -8.502 -8.502
890 2HE LYS 116 HE3 LYS 116 16.339 -8.064 -8.064
891 1HZ LYS 116 HZ3 LYS 116 17.083 -10.337 -10.337
892 2HZ LYS 116 HZ1 LYS 116 15.749 -10.556 -10.556
893 3HZ LYS 116 HZ2 LYS 116 17.159 -10.122 -10.122
894 H SER 117 HN SER 117 14.759 -3.985 -3.985
895 HA SER 117 HA SER 117 15.478 -4.284 -4.284
896 1HB SER 117 HB2 SER 117 13.390 -5.317 -5.317
897 2HB SER 117 HB3 SER 117 12.607 -4.099 -4.099
898 HG SER 117 HG SER 117 14.247 -5.429 -5.429
899 H LEU 118 HN LEU 118 14.886 -1.854 -1.854
900 HA LEU 118 HA LEU 118 13.352 -0.082 -0.082
901 1HB LEU 118 HB2 LEU 118 14.940 0.211 0.211
902 2HB LEU 118 HB3 LEU 118 14.171 1.580 1.580
903 HG LEU 118 HG LEU 118 12.826 -0.865 -0.865
904 1HD1 LEU 118 HD13 LEU 118 13.489 1.730 1.730
905 2HD1 LEU 118 HD11 LEU 118 11.719 1.558 1.558
906 3HD1 LEU 118 HD12 LEU 118 12.692 0.362 0.362
907 1HD2 LEU 118 HD22 LEU 118 11.657 1.325 1.325
908 2HD2 LEU 118 HD23 LEU 118 11.604 -0.435 -0.435
909 3HD2 LEU 118 HD21 LEU 118 10.678 0.297 0.297
910 H ASN 119 HN ASN 119 16.781 -0.892 -0.892
911 HA ASN 119 HA ASN 119 17.496 1.438 1.438
912 1HB ASN 119 HB2 ASN 119 19.842 0.735 0.735
913 2HB ASN 119 HB3 ASN 119 18.913 0.840 0.840
914 1HD2 ASN 119 HD22 ASN 119 19.437 -2.431 -2.431
915 2HD2 ASN 119 HD21 ASN 119 18.971 -0.803 -0.803
916 H HIS 120 HN HIS 120 16.244 -1.569 -1.569
917 HA HIS 120 HA HIS 120 18.080 -2.341 -2.341
918 1HB HIS 120 HB2 HIS 120 17.115 -4.392 -4.392
919 2HB HIS 120 HB3 HIS 120 16.710 -3.844 -3.844
920 HD1 HIS 120 HD1 HIS 120 14.976 -6.003 -6.003
921 HD2 HIS 120 HD2 HIS 120 14.163 -1.899 -1.899
922 HE1 HIS 120 HE1 HIS 120 12.485 -5.804 -5.804
923 H ARG 121 HN ARG 121 16.337 0.229 0.229
924 HA ARG 121 HA ARG 121 15.154 1.419 1.419
925 1HB ARG 121 HB2 ARG 121 16.469 -0.468 -0.468
926 2HB ARG 121 HB3 ARG 121 15.439 0.844 0.844
927 1HG ARG 121 HG2 ARG 121 17.908 1.178 1.178
928 2HG ARG 121 HG3 ARG 121 17.866 1.478 1.478
929 1HD ARG 121 HD2 ARG 121 15.853 3.102 3.102
930 2HD ARG 121 HD3 ARG 121 16.500 3.033 3.033
931 HE ARG 121 HE ARG 121 18.310 4.347 4.347
932 1HH1 ARG 121 HH22 ARG 121 16.746 2.970 2.970
933 2HH1 ARG 121 HH21 ARG 121 17.695 3.883 3.883
934 1HH2 ARG 121 HH12 ARG 121 19.562 5.553 5.553
935 2HH2 ARG 121 HH11 ARG 121 19.308 5.363 5.363
936 H TYR 122 HN TYR 122 14.776 -1.365 -1.365
937 HA TYR 122 HA TYR 122 12.126 -1.940 -1.940
938 1HB TYR 122 HB2 TYR 122 11.412 -0.332 -0.332
939 2HB TYR 122 HB3 TYR 122 12.896 -0.457 -0.457
940 HD1 TYR 122 HD2 TYR 122 10.218 -2.937 -2.937
941 HD2 TYR 122 HD1 TYR 122 12.439 -1.009 -1.009
942 HE1 TYR 122 HE2 TYR 122 9.020 -4.349 -4.349
943 HE2 TYR 122 HE1 TYR 122 11.234 -2.428 -2.428
944 HH TYR 122 HH TYR 122 9.913 -5.070 -5.070
945 H GLN 123 HN GLN 123 12.799 -4.061 -4.061
946 HA GLN 123 HA GLN 123 13.323 -6.138 -6.138
947 1HB GLN 123 HB2 GLN 123 11.294 -6.182 -6.182
948 2HB GLN 123 HB3 GLN 123 12.127 -5.521 -5.521
949 1HG GLN 123 HG2 GLN 123 13.614 -7.835 -7.835
950 2HG GLN 123 HG3 GLN 123 11.927 -8.299 -8.299
951 1HE2 GLN 123 HE22 GLN 123 11.243 -8.224 -8.224
952 2HE2 GLN 123 HE21 GLN 123 10.635 -8.318 -8.318
953 H MET 124 HN MET 124 15.607 -4.904 -4.904
954 HA MET 124 HA MET 124 17.060 -4.826 -4.826
955 1HB MET 124 HB2 MET 124 17.447 -4.324 -4.324
956 2HB MET 124 HB3 MET 124 18.841 -5.170 -5.170
957 1HG MET 124 HG2 MET 124 17.941 -3.032 -3.032
958 2HG MET 124 HG3 MET 124 18.317 -2.409 -2.409
959 1HE MET 124 HE2 MET 124 19.624 -2.208 -2.208
960 2HE MET 124 HE3 MET 124 21.230 -2.962 -2.962
961 3HE MET 124 HE1 MET 124 19.763 -3.962 -3.962
962 H GLY 125 HN GLY 125 16.008 -7.212 -7.212
963 1HA GLY 125 HA1 GLY 125 16.426 -9.388 -9.388
964 2HA GLY 125 HA2 GLY 125 18.127 -8.973 -8.973
965 H CYS 126 HN CYS 126 15.947 -8.405 -8.405
966 HA CYS 126 HA CYS 126 17.600 -9.768 -9.768
967 1HB CYS 126 HB2 CYS 126 16.168 -9.110 -9.110
968 2HB CYS 126 HB3 CYS 126 15.729 -7.976 -7.976
969 H GLU 127 HN GLU 127 15.925 -11.452 -11.452
970 HA GLU 127 HA GLU 127 14.457 -13.265 -13.265
971 1HB GLU 127 HB2 GLU 127 16.658 -13.779 -13.779
972 2HB GLU 127 HB3 GLU 127 17.320 -14.202 -14.202
973 1HG GLU 127 HG2 GLU 127 16.630 -16.321 -16.321
974 2HG GLU 127 HG3 GLU 127 15.054 -15.758 -15.758
Start of MODEL 12
1 H CYS 1 HN CYS 1 -12.312 -9.974 -9.974
2 HA CYS 1 HA CYS 1 -10.758 -12.154 -12.154
3 1HB CYS 1 HB2 CYS 1 -8.879 -10.135 -10.135
4 2HB CYS 1 HB3 CYS 1 -9.694 -10.900 -10.900
5 H SER 2 HN SER 2 -8.911 -12.775 -12.775
6 HA SER 2 HA SER 2 -8.473 -11.221 -11.221
7 1HB SER 2 HB2 SER 2 -8.687 -13.690 -13.690
8 2HB SER 2 HB3 SER 2 -9.939 -12.463 -12.463
9 HG SER 2 HG SER 2 -11.143 -13.565 -13.565
10 H CYS 3 HN CYS 3 -6.699 -11.456 -11.456
11 HA CYS 3 HA CYS 3 -5.119 -13.742 -13.742
12 1HB CYS 3 HB2 CYS 3 -5.206 -11.340 -11.340
13 2HB CYS 3 HB3 CYS 3 -3.665 -11.269 -11.269
14 H SER 4 HN SER 4 -2.490 -13.053 -13.053
15 HA SER 4 HA SER 4 -2.488 -11.979 -11.979
16 1HB SER 4 HB2 SER 4 -1.033 -13.888 -13.888
17 2HB SER 4 HB3 SER 4 -2.684 -14.355 -14.355
18 HG SER 4 HG SER 4 -0.612 -14.566 -14.566
19 HA PRO 5 HA PRO 5 1.072 -10.210 -10.210
20 1HB PRO 5 HB2 PRO 5 1.771 -8.538 -8.538
21 2HB PRO 5 HB3 PRO 5 0.574 -8.123 -8.123
22 1HG PRO 5 HG2 PRO 5 0.162 -8.932 -8.932
23 2HG PRO 5 HG3 PRO 5 -0.951 -8.118 -8.118
24 1HD PRO 5 HD2 PRO 5 -1.007 -10.884 -10.884
25 2HD PRO 5 HD3 PRO 5 -2.047 -10.096 -10.096
26 H VAL 6 HN VAL 6 3.157 -10.788 -10.788
27 HA VAL 6 HA VAL 6 4.595 -11.636 -11.636
28 HB VAL 6 HB VAL 6 3.211 -13.611 -13.611
29 1HG1 VAL 6 HG11 VAL 6 4.257 -12.935 -12.935
30 2HG1 VAL 6 HG12 VAL 6 4.829 -14.563 -14.563
31 3HG1 VAL 6 HG13 VAL 6 3.086 -14.203 -14.203
32 1HG2 VAL 6 HG22 VAL 6 6.137 -13.509 -13.509
33 2HG2 VAL 6 HG23 VAL 6 4.896 -14.452 -14.452
34 3HG2 VAL 6 HG21 VAL 6 5.530 -15.031 -15.031
35 H HIS 7 HN HIS 7 6.180 -13.283 -13.283
36 HA HIS 7 HA HIS 7 8.196 -12.762 -12.762
37 1HB HIS 7 HB2 HIS 7 7.666 -11.217 -11.217
38 2HB HIS 7 HB3 HIS 7 7.311 -12.930 -12.930
39 HD1 HIS 7 HD1 HIS 7 5.001 -13.490 -13.490
40 HD2 HIS 7 HD2 HIS 7 5.218 -9.659 -9.659
41 HE1 HIS 7 HE1 HIS 7 2.655 -12.501 -12.501
42 HA PRO 8 HA PRO 8 9.034 -8.844 -8.844
43 1HB PRO 8 HB2 PRO 8 11.363 -9.597 -9.597
44 2HB PRO 8 HB3 PRO 8 9.794 -9.729 -9.729
45 1HG PRO 8 HG2 PRO 8 11.477 -11.866 -11.866
46 2HG PRO 8 HG3 PRO 8 10.142 -12.010 -12.010
47 1HD PRO 8 HD2 PRO 8 10.085 -12.582 -12.582
48 2HD PRO 8 HD3 PRO 8 8.725 -12.614 -12.614
49 H GLN 9 HN GLN 9 10.114 -10.373 -10.373
50 HA GLN 9 HA GLN 9 11.841 -8.124 -8.124
51 1HB GLN 9 HB2 GLN 9 13.361 -9.941 -9.941
52 2HB GLN 9 HB3 GLN 9 12.622 -11.040 -11.040
53 1HG GLN 9 HG2 GLN 9 14.030 -10.307 -10.307
54 2HG GLN 9 HG3 GLN 9 13.357 -8.695 -8.695
55 1HE2 GLN 9 HE22 GLN 9 15.787 -7.673 -7.673
56 2HE2 GLN 9 HE21 GLN 9 14.069 -7.741 -7.741
57 H GLN 10 HN GLN 10 10.093 -11.066 -11.066
58 HA GLN 10 HA GLN 10 10.171 -10.369 -10.369
59 1HB GLN 10 HB2 GLN 10 9.298 -12.443 -12.443
60 2HB GLN 10 HB3 GLN 10 9.121 -12.475 -12.475
61 1HG GLN 10 HG2 GLN 10 6.901 -12.790 -12.790
62 2HG GLN 10 HG3 GLN 10 6.929 -11.046 -11.046
63 1HE2 GLN 10 HE22 GLN 10 5.275 -11.435 -11.435
64 2HE2 GLN 10 HE21 GLN 10 5.012 -11.513 -11.513
65 H ALA 11 HN ALA 11 8.689 -8.773 -8.773
66 HA ALA 11 HA ALA 11 6.286 -8.007 -8.007
67 1HB ALA 11 HB1 ALA 11 7.439 -7.807 -7.807
68 2HB ALA 11 HB2 ALA 11 6.630 -6.309 -6.309
69 3HB ALA 11 HB3 ALA 11 5.735 -7.847 -7.847
70 H PHE 12 HN PHE 12 9.593 -6.798 -6.798
71 HA PHE 12 HA PHE 12 8.922 -4.238 -4.238
72 1HB PHE 12 HB2 PHE 12 11.487 -5.574 -5.574
73 2HB PHE 12 HB3 PHE 12 11.439 -3.916 -3.916
74 HD1 PHE 12 HD1 PHE 12 9.145 -5.878 -5.878
75 HD2 PHE 12 HD2 PHE 12 11.683 -2.501 -2.501
76 HE1 PHE 12 HE1 PHE 12 8.493 -5.113 -5.113
77 HE2 PHE 12 HE2 PHE 12 11.032 -1.737 -1.737
78 HZ PHE 12 HZ PHE 12 9.446 -3.052 -3.052
79 H CYS 13 HN CYS 13 9.554 -7.315 -7.315
80 HA CYS 13 HA CYS 13 11.107 -6.293 -6.293
81 1HB CYS 13 HB2 CYS 13 10.908 -8.912 -8.912
82 2HB CYS 13 HB3 CYS 13 10.982 -8.981 -8.981
83 H ASN 14 HN ASN 14 7.946 -7.082 -7.082
84 HA ASN 14 HA ASN 14 7.051 -7.782 -7.782
85 1HB ASN 14 HB2 ASN 14 6.253 -8.553 -8.553
86 2HB ASN 14 HB3 ASN 14 4.951 -7.528 -7.528
87 1HD2 ASN 14 HD22 ASN 14 5.748 -11.199 -11.199
88 2HD2 ASN 14 HD21 ASN 14 6.843 -10.409 -10.409
89 H ALA 15 HN ALA 15 6.731 -5.351 -5.351
90 HA ALA 15 HA ALA 15 4.674 -3.822 -3.822
91 1HB ALA 15 HB3 ALA 15 7.170 -3.047 -3.047
92 2HB ALA 15 HB1 ALA 15 5.759 -1.986 -1.986
93 3HB ALA 15 HB2 ALA 15 5.588 -3.514 -3.514
94 H ASP 16 HN ASP 16 5.074 -1.418 -1.418
95 HA ASP 16 HA ASP 16 7.258 -1.322 -1.322
96 1HB ASP 16 HB2 ASP 16 4.373 -1.633 -1.633
97 2HB ASP 16 HB3 ASP 16 5.260 -0.417 -0.417
98 H VAL 17 HN VAL 17 5.802 0.012 0.012
99 HA VAL 17 HA VAL 17 6.506 2.666 2.666
100 HB VAL 17 HB VAL 17 4.445 2.699 2.699
101 1HG1 VAL 17 HG13 VAL 17 3.461 1.120 1.120
102 2HG1 VAL 17 HG11 VAL 17 2.331 2.361 2.361
103 3HG1 VAL 17 HG12 VAL 17 2.948 1.118 1.118
104 1HG2 VAL 17 HG22 VAL 17 5.005 4.697 4.697
105 2HG2 VAL 17 HG23 VAL 17 3.248 4.488 4.488
106 3HG2 VAL 17 HG21 VAL 17 4.038 4.055 4.055
107 H VAL 18 HN VAL 18 7.810 2.423 2.423
108 HA VAL 18 HA VAL 18 6.370 1.898 1.898
109 HB VAL 18 HB VAL 18 9.332 2.198 2.198
110 1HG1 VAL 18 HG11 VAL 18 7.322 1.004 1.004
111 2HG1 VAL 18 HG12 VAL 18 8.700 -0.075 -0.075
112 3HG1 VAL 18 HG13 VAL 18 8.981 1.548 1.548
113 1HG2 VAL 18 HG21 VAL 18 8.196 0.670 0.670
114 2HG2 VAL 18 HG22 VAL 18 9.773 0.315 0.315
115 3HG2 VAL 18 HG23 VAL 18 8.309 -0.520 -0.520
116 H ILE 19 HN ILE 19 5.653 3.625 3.625
117 HA ILE 19 HA ILE 19 7.379 5.966 5.966
118 HB ILE 19 HB ILE 19 5.648 7.499 7.499
119 1HG1 ILE 19 HG12 ILE 19 3.880 5.106 5.106
120 2HG1 ILE 19 HG13 ILE 19 3.624 6.744 6.744
121 1HG2 ILE 19 HG23 ILE 19 6.980 6.249 6.249
122 2HG2 ILE 19 HG21 ILE 19 5.436 5.439 5.439
123 3HG2 ILE 19 HG22 ILE 19 5.560 7.210 7.210
124 1HD1 ILE 19 HD13 ILE 19 3.514 7.421 7.421
125 2HD1 ILE 19 HD11 ILE 19 3.357 5.678 5.678
126 3HD1 ILE 19 HD12 ILE 19 2.135 6.512 6.512
127 H ARG 20 HN ARG 20 7.647 6.554 6.554
128 HA ARG 20 HA ARG 20 6.111 5.213 5.213
129 1HB ARG 20 HB2 ARG 20 8.650 6.253 6.253
130 2HB ARG 20 HB3 ARG 20 7.826 7.547 7.547
131 1HG ARG 20 HG2 ARG 20 6.989 4.943 4.943
132 2HG ARG 20 HG3 ARG 20 8.734 5.087 5.087
133 1HD ARG 20 HD2 ARG 20 6.716 7.030 7.030
134 2HD ARG 20 HD3 ARG 20 7.803 5.968 5.968
135 HE ARG 20 HE ARG 20 9.146 7.837 7.837
136 1HH1 ARG 20 HH22 ARG 20 7.997 7.282 7.282
137 2HH1 ARG 20 HH21 ARG 20 9.051 8.461 8.461
138 1HH2 ARG 20 HH12 ARG 20 10.538 9.392 9.392
139 2HH2 ARG 20 HH11 ARG 20 10.506 9.669 9.669
140 H THR 21 HN THR 21 4.377 6.762 6.762
141 HA THR 21 HA THR 21 3.879 9.335 9.335
142 HB THR 21 HB THR 21 3.097 8.639 8.639
143 HG1 THR 21 HG1 THR 21 1.298 9.827 9.827
144 1HG2 THR 21 HG21 THR 21 2.684 6.156 6.156
145 2HG2 THR 21 HG22 THR 21 1.093 6.774 6.774
146 3HG2 THR 21 HG23 THR 21 1.575 6.851 6.851
147 H LYS 22 HN LYS 22 1.539 9.824 9.824
148 HA LYS 22 HA LYS 22 1.071 7.928 7.928
149 1HB LYS 22 HB2 LYS 22 0.837 9.766 9.766
150 2HB LYS 22 HB3 LYS 22 2.433 9.786 9.786
151 1HG LYS 22 HG2 LYS 22 1.823 11.597 11.597
152 2HG LYS 22 HG3 LYS 22 0.128 11.462 11.462
153 1HD LYS 22 HD2 LYS 22 2.408 12.584 12.584
154 2HD LYS 22 HD3 LYS 22 0.853 13.309 13.309
155 1HE LYS 22 HE2 LYS 22 -0.185 11.366 11.366
156 2HE LYS 22 HE3 LYS 22 1.445 11.036 11.036
157 1HZ LYS 22 HZ3 LYS 22 1.569 13.317 13.317
158 2HZ LYS 22 HZ1 LYS 22 0.036 13.600 13.600
159 3HZ LYS 22 HZ2 LYS 22 0.328 12.526 12.526
160 H ALA 23 HN ALA 23 -0.979 7.192 7.192
161 HA ALA 23 HA ALA 23 -2.906 8.669 8.669
162 1HB ALA 23 HB3 ALA 23 -2.598 6.260 6.260
163 2HB ALA 23 HB1 ALA 23 -2.997 5.917 5.917
164 3HB ALA 23 HB2 ALA 23 -4.236 6.591 6.591
165 H VAL 24 HN VAL 24 -3.990 10.272 10.272
166 HA VAL 24 HA VAL 24 -4.742 9.746 9.746
167 HB VAL 24 HB VAL 24 -4.997 12.330 12.330
168 1HG1 VAL 24 HG13 VAL 24 -2.485 10.699 10.699
169 2HG1 VAL 24 HG11 VAL 24 -2.384 12.472 12.472
170 3HG1 VAL 24 HG12 VAL 24 -3.397 11.554 11.554
171 1HG2 VAL 24 HG21 VAL 24 -4.604 12.348 12.348
172 2HG2 VAL 24 HG22 VAL 24 -3.730 13.552 13.552
173 3HG2 VAL 24 HG23 VAL 24 -2.884 12.100 12.100
174 H SER 25 HN SER 25 -5.781 10.779 10.779
175 HA SER 25 HA SER 25 -8.517 10.671 10.671
176 1HB SER 25 HB2 SER 25 -8.432 12.835 12.835
177 2HB SER 25 HB3 SER 25 -7.145 12.482 12.482
178 HG SER 25 HG SER 25 -9.267 12.934 12.934
179 H GLU 26 HN GLU 26 -10.123 10.054 10.054
180 HA GLU 26 HA GLU 26 -8.912 8.314 8.314
181 1HB GLU 26 HB2 GLU 26 -10.588 7.286 7.286
182 2HB GLU 26 HB3 GLU 26 -10.594 6.442 6.442
183 1HG GLU 26 HG2 GLU 26 -8.715 5.379 5.379
184 2HG GLU 26 HG3 GLU 26 -7.867 6.889 6.889
185 H LYS 27 HN LYS 27 -10.987 7.092 7.092
186 HA LYS 27 HA LYS 27 -13.228 8.937 8.937
187 1HB LYS 27 HB2 LYS 27 -11.568 9.828 9.828
188 2HB LYS 27 HB3 LYS 27 -11.561 8.290 8.290
189 1HG LYS 27 HG2 LYS 27 -13.673 8.608 8.608
190 2HG LYS 27 HG3 LYS 27 -14.258 9.513 9.513
191 1HD LYS 27 HD2 LYS 27 -13.946 10.885 10.885
192 2HD LYS 27 HD3 LYS 27 -13.141 11.529 11.529
193 1HE LYS 27 HE2 LYS 27 -10.991 10.506 10.506
194 2HE LYS 27 HE3 LYS 27 -11.784 9.793 9.793
195 1HZ LYS 27 HZ2 LYS 27 -12.365 12.507 12.507
196 2HZ LYS 27 HZ3 LYS 27 -10.752 12.346 12.346
197 3HZ LYS 27 HZ1 LYS 27 -11.485 11.680 11.680
198 H GLU 28 HN GLU 28 -14.932 7.626 7.626
199 HA GLU 28 HA GLU 28 -14.724 4.863 4.863
200 1HB GLU 28 HB2 GLU 28 -16.000 5.643 5.643
201 2HB GLU 28 HB3 GLU 28 -17.047 6.612 6.612
202 1HG GLU 28 HG2 GLU 28 -17.386 4.166 4.166
203 2HG GLU 28 HG3 GLU 28 -17.045 3.652 3.652
204 H VAL 29 HN VAL 29 -14.451 4.530 4.530
205 HA VAL 29 HA VAL 29 -16.634 5.539 5.539
206 HB VAL 29 HB VAL 29 -15.095 5.191 5.191
207 1HG1 VAL 29 HG13 VAL 29 -15.102 7.269 7.269
208 2HG1 VAL 29 HG11 VAL 29 -13.410 6.753 6.753
209 3HG1 VAL 29 HG12 VAL 29 -14.023 7.183 7.183
210 1HG2 VAL 29 HG22 VAL 29 -13.635 3.639 3.639
211 2HG2 VAL 29 HG23 VAL 29 -13.387 3.768 3.768
212 3HG2 VAL 29 HG21 VAL 29 -12.586 4.917 4.917
213 H ASP 30 HN ASP 30 -18.207 4.092 4.092
214 HA ASP 30 HA ASP 30 -18.082 1.473 1.473
215 1HB ASP 30 HB2 ASP 30 -19.804 3.123 3.123
216 2HB ASP 30 HB3 ASP 30 -19.912 1.390 1.390
217 H SER 31 HN SER 31 -18.235 -0.501 -0.501
218 HA SER 31 HA SER 31 -16.911 -0.075 -0.075
219 1HB SER 31 HB2 SER 31 -14.918 -0.520 -0.520
220 2HB SER 31 HB3 SER 31 -15.693 -1.499 -1.499
221 HG SER 31 HG SER 31 -15.522 -2.372 -2.372
222 H GLY 32 HN GLY 32 -19.579 -0.999 -0.999
223 1HA GLY 32 HA1 GLY 32 -21.204 -2.396 -2.396
224 2HA GLY 32 HA2 GLY 32 -20.062 -3.158 -3.158
225 H ASN 33 HN ASN 33 -21.682 -4.941 -4.941
226 HA ASN 33 HA ASN 33 -20.684 -5.800 -5.800
227 1HB ASN 33 HB2 ASN 33 -22.498 -7.419 -7.419
228 2HB ASN 33 HB3 ASN 33 -22.437 -7.450 -7.450
229 1HD2 ASN 33 HD22 ASN 33 -24.800 -4.843 -4.843
230 2HD2 ASN 33 HD21 ASN 33 -23.792 -6.038 -6.038
231 H ASP 34 HN ASP 34 -19.951 -8.197 -8.197
232 HA ASP 34 HA ASP 34 -18.084 -8.719 -8.719
233 1HB ASP 34 HB2 ASP 34 -17.720 -8.782 -8.782
234 2HB ASP 34 HB3 ASP 34 -18.340 -10.413 -10.413
235 H ILE 35 HN ILE 35 -17.825 -11.592 -11.592
236 HA ILE 35 HA ILE 35 -20.092 -12.493 -12.493
237 HB ILE 35 HB ILE 35 -17.649 -13.946 -13.946
238 1HG1 ILE 35 HG12 ILE 35 -17.003 -13.759 -13.759
239 2HG1 ILE 35 HG13 ILE 35 -18.243 -12.526 -12.526
240 1HG2 ILE 35 HG21 ILE 35 -20.073 -14.876 -14.876
241 2HG2 ILE 35 HG22 ILE 35 -18.595 -15.269 -15.269
242 3HG2 ILE 35 HG23 ILE 35 -18.762 -15.795 -15.795
243 1HD1 ILE 35 HD12 ILE 35 -16.226 -12.316 -12.316
244 2HD1 ILE 35 HD13 ILE 35 -15.745 -11.852 -11.852
245 3HD1 ILE 35 HD11 ILE 35 -17.102 -11.022 -11.022
246 H TYR 36 HN TYR 36 -19.743 -11.778 -11.778
247 HA TYR 36 HA TYR 36 -21.273 -14.131 -14.131
248 1HB TYR 36 HB2 TYR 36 -18.962 -13.047 -13.047
249 2HB TYR 36 HB3 TYR 36 -20.091 -11.969 -11.969
250 HD1 TYR 36 HD1 TYR 36 -20.073 -15.671 -15.671
251 HD2 TYR 36 HD2 TYR 36 -20.355 -12.533 -12.533
252 HE1 TYR 36 HE1 TYR 36 -20.423 -17.390 -17.390
253 HE2 TYR 36 HE2 TYR 36 -20.704 -14.264 -14.264
254 HH TYR 36 HH TYR 36 -20.578 -16.403 -16.403
255 H GLY 37 HN GLY 37 -21.729 -11.043 -11.043
256 1HA GLY 37 HA1 GLY 37 -23.739 -9.936 -9.936
257 2HA GLY 37 HA2 GLY 37 -24.340 -10.861 -10.861
258 H ASN 38 HN ASN 38 -21.377 -10.067 -10.067
259 HA ASN 38 HA ASN 38 -22.437 -7.973 -7.973
260 1HB ASN 38 HB2 ASN 38 -19.990 -7.964 -7.964
261 2HB ASN 38 HB3 ASN 38 -20.916 -9.433 -9.433
262 1HD2 ASN 38 HD22 ASN 38 -17.568 -10.379 -10.379
263 2HD2 ASN 38 HD21 ASN 38 -18.246 -9.568 -9.568
264 HA PRO 39 HA PRO 39 -20.741 -4.667 -4.667
265 1HB PRO 39 HB2 PRO 39 -20.413 -2.729 -2.729
266 2HB PRO 39 HB3 PRO 39 -21.960 -3.096 -3.096
267 1HG PRO 39 HG2 PRO 39 -20.982 -3.787 -3.787
268 2HG PRO 39 HG3 PRO 39 -22.628 -3.762 -3.762
269 1HD PRO 39 HD2 PRO 39 -20.997 -6.080 -6.080
270 2HD PRO 39 HD3 PRO 39 -22.601 -6.046 -6.046
271 H ILE 40 HN ILE 40 -18.866 -4.246 -4.246
272 HA ILE 40 HA ILE 40 -16.537 -5.282 -5.282
273 HB ILE 40 HB ILE 40 -17.038 -3.522 -3.522
274 1HG1 ILE 40 HG12 ILE 40 -16.384 -6.470 -6.470
275 2HG1 ILE 40 HG13 ILE 40 -17.942 -5.792 -5.792
276 1HG2 ILE 40 HG23 ILE 40 -14.431 -4.715 -4.715
277 2HG2 ILE 40 HG21 ILE 40 -14.701 -4.092 -4.092
278 3HG2 ILE 40 HG22 ILE 40 -14.817 -2.996 -2.996
279 1HD1 ILE 40 HD12 ILE 40 -16.243 -4.561 -4.561
280 2HD1 ILE 40 HD13 ILE 40 -15.539 -6.189 -6.189
281 3HD1 ILE 40 HD11 ILE 40 -17.241 -5.999 -5.999
282 H LYS 41 HN LYS 41 -16.900 -1.858 -1.858
283 HA LYS 41 HA LYS 41 -16.365 0.057 0.057
284 1HB LYS 41 HB2 LYS 41 -17.815 -0.644 -0.644
285 2HB LYS 41 HB3 LYS 41 -16.482 -1.489 -1.489
286 1HG LYS 41 HG2 LYS 41 -16.782 0.737 0.737
287 2HG LYS 41 HG3 LYS 41 -15.225 0.640 0.640
288 1HD LYS 41 HD2 LYS 41 -16.187 2.769 2.769
289 2HD LYS 41 HD3 LYS 41 -16.270 1.748 1.748
290 1HE LYS 41 HE2 LYS 41 -18.641 1.240 1.240
291 2HE LYS 41 HE3 LYS 41 -18.585 2.094 2.094
292 1HZ LYS 41 HZ2 LYS 41 -17.661 3.809 3.809
293 2HZ LYS 41 HZ3 LYS 41 -19.047 3.144 3.144
294 3HZ LYS 41 HZ1 LYS 41 -19.033 3.932 3.932
295 H ARG 42 HN ARG 42 -14.425 1.037 1.037
296 HA ARG 42 HA ARG 42 -12.135 -0.413 -0.413
297 1HB ARG 42 HB2 ARG 42 -11.123 0.963 0.963
298 2HB ARG 42 HB3 ARG 42 -11.475 -0.753 -0.753
299 1HG ARG 42 HG2 ARG 42 -13.881 -0.176 -0.176
300 2HG ARG 42 HG3 ARG 42 -13.337 1.469 1.469
301 1HD ARG 42 HD2 ARG 42 -11.463 0.332 0.332
302 2HD ARG 42 HD3 ARG 42 -12.548 -1.045 -1.045
303 HE ARG 42 HE ARG 42 -13.980 1.396 1.396
304 1HH1 ARG 42 HH22 ARG 42 -11.818 -1.014 -1.014
305 2HH1 ARG 42 HH21 ARG 42 -12.353 -0.749 -0.749
306 1HH2 ARG 42 HH12 ARG 42 -14.686 1.746 1.746
307 2HH2 ARG 42 HH11 ARG 42 -13.995 0.832 0.832
308 H ILE 43 HN ILE 43 -12.703 1.230 1.230
309 HA ILE 43 HA ILE 43 -12.719 3.902 3.902
310 HB ILE 43 HB ILE 43 -12.028 1.929 1.929
311 1HG1 ILE 43 HG12 ILE 43 -13.124 3.763 3.763
312 2HG1 ILE 43 HG13 ILE 43 -13.407 4.615 4.615
313 1HG2 ILE 43 HG21 ILE 43 -10.528 4.554 4.554
314 2HG2 ILE 43 HG22 ILE 43 -10.841 3.572 3.572
315 3HG2 ILE 43 HG23 ILE 43 -9.874 2.903 2.903
316 1HD1 ILE 43 HD12 ILE 43 -14.168 1.831 1.831
317 2HD1 ILE 43 HD13 ILE 43 -14.960 2.505 2.505
318 3HD1 ILE 43 HD11 ILE 43 -15.179 3.290 3.290
319 H GLN 44 HN GLN 44 -11.291 5.614 5.614
320 HA GLN 44 HA GLN 44 -8.906 4.882 4.882
321 1HB GLN 44 HB2 GLN 44 -10.201 7.562 7.562
322 2HB GLN 44 HB3 GLN 44 -8.694 7.427 7.427
323 1HG GLN 44 HG2 GLN 44 -11.457 6.489 6.489
324 2HG GLN 44 HG3 GLN 44 -10.356 7.535 7.535
325 1HE2 GLN 44 HE22 GLN 44 -9.971 3.421 3.421
326 2HE2 GLN 44 HE21 GLN 44 -10.912 4.245 4.245
327 H TYR 45 HN TYR 45 -6.984 6.712 6.712
328 HA TYR 45 HA TYR 45 -6.616 6.622 6.622
329 1HB TYR 45 HB2 TYR 45 -5.141 5.299 5.299
330 2HB TYR 45 HB3 TYR 45 -4.092 6.156 6.156
331 HD1 TYR 45 HD2 TYR 45 -5.756 5.639 5.639
332 HD2 TYR 45 HD1 TYR 45 -4.440 3.072 3.072
333 HE1 TYR 45 HE2 TYR 45 -5.813 3.650 3.650
334 HE2 TYR 45 HE1 TYR 45 -4.500 1.092 1.092
335 HH TYR 45 HH TYR 45 -5.323 0.392 0.392
336 H GLU 46 HN GLU 46 -7.351 8.953 8.953
337 HA GLU 46 HA GLU 46 -5.672 10.581 10.581
338 1HB GLU 46 HB2 GLU 46 -8.113 10.925 10.925
339 2HB GLU 46 HB3 GLU 46 -7.234 11.665 11.665
340 1HG GLU 46 HG2 GLU 46 -6.205 13.299 13.299
341 2HG GLU 46 HG3 GLU 46 -6.781 12.459 12.459
342 H ILE 47 HN ILE 47 -3.575 9.582 9.582
343 HA ILE 47 HA ILE 47 -2.792 10.183 10.183
344 HB ILE 47 HB ILE 47 -0.560 9.545 9.545
345 1HG1 ILE 47 HG12 ILE 47 -1.848 9.756 9.756
346 2HG1 ILE 47 HG13 ILE 47 -0.331 10.432 10.432
347 1HG2 ILE 47 HG23 ILE 47 -2.905 7.957 7.957
348 2HG2 ILE 47 HG21 ILE 47 -1.908 7.375 7.375
349 3HG2 ILE 47 HG22 ILE 47 -1.220 7.458 7.458
350 1HD1 ILE 47 HD11 ILE 47 -0.160 7.589 7.589
351 2HD1 ILE 47 HD12 ILE 47 -0.792 7.890 7.890
352 3HD1 ILE 47 HD13 ILE 47 0.757 8.608 8.608
353 H LYS 48 HN LYS 48 -0.400 11.454 11.454
354 HA LYS 48 HA LYS 48 -1.022 14.073 14.073
355 1HB LYS 48 HB2 LYS 48 -1.244 13.644 13.644
356 2HB LYS 48 HB3 LYS 48 0.496 13.846 13.846
357 1HG LYS 48 HG2 LYS 48 -0.523 15.928 15.928
358 2HG LYS 48 HG3 LYS 48 -1.599 15.870 15.870
359 1HD LYS 48 HD2 LYS 48 1.394 16.358 16.358
360 2HD LYS 48 HD3 LYS 48 0.139 17.346 17.346
361 1HE LYS 48 HE2 LYS 48 -0.164 14.907 14.907
362 2HE LYS 48 HE3 LYS 48 1.572 15.012 15.012
363 1HZ LYS 48 HZ2 LYS 48 0.133 17.358 17.358
364 2HZ LYS 48 HZ3 LYS 48 0.438 16.147 16.147
365 3HZ LYS 48 HZ1 LYS 48 1.674 16.904 16.904
366 H GLN 49 HN GLN 49 0.949 11.379 11.379
367 HA GLN 49 HA GLN 49 2.900 10.957 10.957
368 1HB GLN 49 HB2 GLN 49 2.442 13.700 13.700
369 2HB GLN 49 HB3 GLN 49 3.910 12.806 12.806
370 1HG GLN 49 HG2 GLN 49 1.143 11.579 11.579
371 2HG GLN 49 HG3 GLN 49 1.941 12.480 12.480
372 1HE2 GLN 49 HE21 GLN 49 4.374 11.832 11.832
373 2HE2 GLN 49 HE22 GLN 49 4.683 10.134 10.134
374 H ILE 50 HN ILE 50 4.856 10.774 10.774
375 HA ILE 50 HA ILE 50 5.929 13.183 13.183
376 HB ILE 50 HB ILE 50 5.738 12.421 12.421
377 1HG1 ILE 50 HG12 ILE 50 6.916 9.873 9.873
378 2HG1 ILE 50 HG13 ILE 50 7.668 11.077 11.077
379 1HG2 ILE 50 HG22 ILE 50 3.558 11.611 11.611
380 2HG2 ILE 50 HG23 ILE 50 4.234 9.981 9.981
381 3HG2 ILE 50 HG21 ILE 50 3.944 11.037 11.037
382 1HD1 ILE 50 HD12 ILE 50 6.079 10.474 10.474
383 2HD1 ILE 50 HD13 ILE 50 5.397 9.203 9.203
384 3HD1 ILE 50 HD11 ILE 50 7.092 9.102 9.102
385 H LYS 51 HN LYS 51 6.360 9.876 9.876
386 HA LYS 51 HA LYS 51 9.018 10.682 10.682
387 1HB LYS 51 HB2 LYS 51 8.770 9.211 9.211
388 2HB LYS 51 HB3 LYS 51 8.978 7.956 7.956
389 1HG LYS 51 HG2 LYS 51 11.099 8.755 8.755
390 2HG LYS 51 HG3 LYS 51 10.791 10.378 10.378
391 1HD LYS 51 HD2 LYS 51 10.575 8.793 8.793
392 2HD LYS 51 HD3 LYS 51 11.899 8.054 8.054
393 1HE LYS 51 HE2 LYS 51 12.928 10.377 10.377
394 2HE LYS 51 HE3 LYS 51 11.670 10.993 10.993
395 1HZ LYS 51 HZ2 LYS 51 13.581 8.878 8.878
396 2HZ LYS 51 HZ3 LYS 51 13.659 10.434 10.434
397 3HZ LYS 51 HZ1 LYS 51 12.424 9.483 9.483
398 H MET 52 HN MET 52 9.788 9.444 9.444
399 HA MET 52 HA MET 52 7.763 7.694 7.694
400 1HB MET 52 HB2 MET 52 8.167 8.819 8.819
401 2HB MET 52 HB3 MET 52 7.445 9.900 9.900
402 1HG MET 52 HG2 MET 52 9.981 10.511 10.511
403 2HG MET 52 HG3 MET 52 10.294 9.853 9.853
404 1HE MET 52 HE2 MET 52 10.743 11.363 11.363
405 2HE MET 52 HE3 MET 52 10.130 13.023 13.023
406 3HE MET 52 HE1 MET 52 11.186 12.616 12.616
407 H PHE 53 HN PHE 53 9.514 6.214 6.214
408 HA PHE 53 HA PHE 53 12.083 6.037 6.037
409 1HB PHE 53 HB2 PHE 53 9.892 3.910 3.910
410 2HB PHE 53 HB3 PHE 53 11.583 3.472 3.472
411 HD1 PHE 53 HD2 PHE 53 13.121 4.999 4.999
412 HD2 PHE 53 HD1 PHE 53 9.054 3.940 3.940
413 HE1 PHE 53 HE2 PHE 53 13.396 5.319 5.319
414 HE2 PHE 53 HE1 PHE 53 9.329 4.260 4.260
415 HZ PHE 53 HZ PHE 53 11.497 4.945 4.945
416 H LYS 54 HN LYS 54 9.590 3.927 3.927
417 HA LYS 54 HA LYS 54 10.976 4.445 4.445
418 1HB LYS 54 HB2 LYS 54 11.727 2.292 2.292
419 2HB LYS 54 HB3 LYS 54 10.105 1.789 1.789
420 1HG LYS 54 HG2 LYS 54 10.652 0.787 0.787
421 2HG LYS 54 HG3 LYS 54 9.429 2.012 2.012
422 1HD LYS 54 HD2 LYS 54 11.470 3.622 3.622
423 2HD LYS 54 HD3 LYS 54 12.400 2.146 2.146
424 1HE LYS 54 HE2 LYS 54 10.245 1.532 1.532
425 2HE LYS 54 HE3 LYS 54 10.274 3.274 3.274
426 1HZ LYS 54 HZ3 LYS 54 12.849 2.054 2.054
427 2HZ LYS 54 HZ1 LYS 54 11.819 1.569 1.569
428 3HZ LYS 54 HZ2 LYS 54 12.151 3.157 3.157
429 H GLY 55 HN GLY 55 9.575 4.042 4.042
430 1HA GLY 55 HA1 GLY 55 7.144 3.503 3.503
431 2HA GLY 55 HA2 GLY 55 6.793 4.788 4.788
432 HA PRO 56 HA PRO 56 7.070 6.987 6.987
433 1HB PRO 56 HB2 PRO 56 5.156 8.854 8.854
434 2HB PRO 56 HB3 PRO 56 4.803 7.327 7.327
435 1HG PRO 56 HG2 PRO 56 4.275 8.143 8.143
436 2HG PRO 56 HG3 PRO 56 3.568 6.822 6.822
437 1HD PRO 56 HD2 PRO 56 5.601 6.625 6.625
438 2HD PRO 56 HD3 PRO 56 4.978 5.321 5.321
439 H GLU 57 HN GLU 57 6.753 9.740 9.740
440 HA GLU 57 HA GLU 57 8.918 10.504 10.504
441 1HB GLU 57 HB2 GLU 57 8.464 11.996 11.996
442 2HB GLU 57 HB3 GLU 57 9.960 11.700 11.700
443 1HG GLU 57 HG2 GLU 57 9.745 9.235 9.235
444 2HG GLU 57 HG3 GLU 57 8.382 9.674 9.674
445 H LYS 58 HN LYS 58 5.757 11.272 11.272
446 HA LYS 58 HA LYS 58 5.653 13.933 13.933
447 1HB LYS 58 HB2 LYS 58 4.313 12.691 12.691
448 2HB LYS 58 HB3 LYS 58 3.203 12.313 12.313
449 1HG LYS 58 HG2 LYS 58 2.328 14.396 14.396
450 2HG LYS 58 HG3 LYS 58 3.873 15.070 15.070
451 1HD LYS 58 HD2 LYS 58 3.484 14.205 14.205
452 2HD LYS 58 HD3 LYS 58 2.771 15.716 15.716
453 1HE LYS 58 HE2 LYS 58 5.379 15.817 15.817
454 2HE LYS 58 HE3 LYS 58 5.601 15.067 15.067
455 1HZ LYS 58 HZ1 LYS 58 3.840 17.106 17.106
456 2HZ LYS 58 HZ2 LYS 58 4.959 17.735 17.735
457 3HZ LYS 58 HZ3 LYS 58 5.419 17.083 17.083
458 H ASP 59 HN ASP 59 3.508 11.169 11.169
459 HA ASP 59 HA ASP 59 4.089 10.684 10.684
460 1HB ASP 59 HB2 ASP 59 4.307 12.871 12.871
461 2HB ASP 59 HB3 ASP 59 2.985 13.493 13.493
462 H ILE 60 HN ILE 60 2.082 10.038 10.038
463 HA ILE 60 HA ILE 60 -0.168 9.564 9.564
464 HB ILE 60 HB ILE 60 0.278 8.069 8.069
465 1HG1 ILE 60 HG12 ILE 60 2.453 8.163 8.163
466 2HG1 ILE 60 HG13 ILE 60 1.821 6.567 6.567
467 1HG2 ILE 60 HG21 ILE 60 -1.739 7.968 7.968
468 2HG2 ILE 60 HG22 ILE 60 -0.636 6.813 6.813
469 3HG2 ILE 60 HG23 ILE 60 -1.161 6.538 6.538
470 1HD1 ILE 60 HD12 ILE 60 0.839 7.713 7.713
471 2HD1 ILE 60 HD13 ILE 60 2.591 7.404 7.404
472 3HD1 ILE 60 HD11 ILE 60 1.443 6.077 6.077
473 H GLU 61 HN GLU 61 0.158 9.672 9.672
474 HA GLU 61 HA GLU 61 -0.828 10.914 10.914
475 1HB GLU 61 HB2 GLU 61 -0.920 12.658 12.658
476 2HB GLU 61 HB3 GLU 61 -2.421 12.830 12.830
477 1HG GLU 61 HG2 GLU 61 -0.570 12.798 12.798
478 2HG GLU 61 HG3 GLU 61 0.346 13.587 13.587
479 H PHE 62 HN PHE 62 -2.376 9.225 9.225
480 HA PHE 62 HA PHE 62 -4.752 8.950 8.950
481 1HB PHE 62 HB2 PHE 62 -4.476 10.213 10.213
482 2HB PHE 62 HB3 PHE 62 -5.576 8.851 8.851
483 HD1 PHE 62 HD1 PHE 62 -7.298 8.827 8.827
484 HD2 PHE 62 HD2 PHE 62 -5.426 12.267 12.267
485 HE1 PHE 62 HE1 PHE 62 -9.137 10.265 10.265
486 HE2 PHE 62 HE2 PHE 62 -7.266 13.706 13.706
487 HZ PHE 62 HZ PHE 62 -9.099 12.688 12.688
488 H ILE 63 HN ILE 63 -4.129 6.842 6.842
489 HA ILE 63 HA ILE 63 -3.613 4.982 4.982
490 HB ILE 63 HB ILE 63 -3.415 4.257 4.257
491 1HG1 ILE 63 HG12 ILE 63 -2.255 6.581 6.581
492 2HG1 ILE 63 HG13 ILE 63 -1.599 5.501 5.501
493 1HG2 ILE 63 HG23 ILE 63 -2.217 3.376 3.376
494 2HG2 ILE 63 HG21 ILE 63 -1.323 3.105 3.105
495 3HG2 ILE 63 HG22 ILE 63 -2.951 2.415 2.415
496 1HD1 ILE 63 HD11 ILE 63 -0.887 5.202 5.202
497 2HD1 ILE 63 HD12 ILE 63 0.016 6.285 6.285
498 3HD1 ILE 63 HD13 ILE 63 -0.032 4.536 4.536
499 H TYR 64 HN TYR 64 -4.605 2.679 2.679
500 HA TYR 64 HA TYR 64 -7.390 3.080 3.080
501 1HB TYR 64 HB2 TYR 64 -7.699 2.738 2.738
502 2HB TYR 64 HB3 TYR 64 -6.065 2.139 2.139
503 HD1 TYR 64 HD2 TYR 64 -5.629 -0.300 -0.300
504 HD2 TYR 64 HD1 TYR 64 -9.484 1.263 1.263
505 HE1 TYR 64 HE2 TYR 64 -6.533 -2.664 -2.664
506 HE2 TYR 64 HE1 TYR 64 -10.376 -1.107 -1.107
507 HH TYR 64 HH TYR 64 -9.579 -3.447 -3.447
508 H THR 65 HN THR 65 -8.408 1.307 1.307
509 HA THR 65 HA THR 65 -7.030 -1.175 -1.175
510 HB THR 65 HB THR 65 -5.700 0.260 0.260
511 HG1 THR 65 HG1 THR 65 -6.444 -2.007 -2.007
512 1HG2 THR 65 HG23 THR 65 -8.480 0.923 0.923
513 2HG2 THR 65 HG21 THR 65 -7.108 0.874 0.874
514 3HG2 THR 65 HG22 THR 65 -7.090 2.011 2.011
515 H ALA 66 HN ALA 66 -8.303 -1.934 -1.934
516 HA ALA 66 HA ALA 66 -11.072 -1.942 -1.942
517 1HB ALA 66 HB3 ALA 66 -9.229 -3.976 -3.976
518 2HB ALA 66 HB1 ALA 66 -10.742 -3.955 -3.955
519 3HB ALA 66 HB2 ALA 66 -10.792 -4.171 -4.171
520 HA PRO 67 HA PRO 67 -12.277 0.109 0.109
521 1HB PRO 67 HB2 PRO 67 -14.869 -0.715 -0.715
522 2HB PRO 67 HB3 PRO 67 -14.376 0.535 0.535
523 1HG PRO 67 HG2 PRO 67 -15.134 -2.268 -2.268
524 2HG PRO 67 HG3 PRO 67 -15.055 -0.911 -0.911
525 1HD PRO 67 HD2 PRO 67 -13.148 -3.039 -3.039
526 2HD PRO 67 HD3 PRO 67 -13.013 -1.624 -1.624
527 H SER 68 HN SER 68 -14.110 -0.604 -0.604
528 HA SER 68 HA SER 68 -14.095 -1.578 -1.578
529 1HB SER 68 HB2 SER 68 -13.635 -3.804 -3.804
530 2HB SER 68 HB3 SER 68 -13.168 -4.179 -4.179
531 HG SER 68 HG SER 68 -15.457 -3.076 -3.076
532 H SER 69 HN SER 69 -12.454 -3.437 -3.437
533 HA SER 69 HA SER 69 -10.186 -1.822 -1.822
534 1HB SER 69 HB2 SER 69 -9.625 -3.488 -3.488
535 2HB SER 69 HB3 SER 69 -11.316 -3.036 -3.036
536 HG SER 69 HG SER 69 -11.296 -5.104 -5.104
537 H ALA 70 HN ALA 70 -9.877 -2.343 -2.343
538 HA ALA 70 HA ALA 70 -8.479 -3.127 -3.127
539 1HB ALA 70 HB3 ALA 70 -7.008 -3.080 -3.080
540 2HB ALA 70 HB1 ALA 70 -6.563 -4.581 -4.581
541 3HB ALA 70 HB2 ALA 70 -6.376 -3.010 -3.010
542 H VAL 71 HN VAL 71 -9.641 -4.619 -4.619
543 HA VAL 71 HA VAL 71 -9.699 -7.342 -7.342
544 HB VAL 71 HB VAL 71 -11.799 -7.605 -7.605
545 1HG1 VAL 71 HG11 VAL 71 -11.565 -5.366 -5.366
546 2HG1 VAL 71 HG12 VAL 71 -12.041 -4.615 -4.615
547 3HG1 VAL 71 HG13 VAL 71 -13.115 -5.800 -5.800
548 1HG2 VAL 71 HG22 VAL 71 -10.913 -5.924 -5.924
549 2HG2 VAL 71 HG23 VAL 71 -11.627 -7.554 -7.554
550 3HG2 VAL 71 HG21 VAL 71 -12.653 -6.127 -6.127
551 H CYS 72 HN CYS 72 -8.828 -5.211 -5.211
552 HA CYS 72 HA CYS 72 -7.519 -7.524 -7.524
553 1HB CYS 72 HB2 CYS 72 -8.804 -5.330 -5.330
554 2HB CYS 72 HB3 CYS 72 -8.100 -6.828 -6.828
555 H GLY 73 HN GLY 73 -7.003 -4.954 -4.954
556 1HA GLY 73 HA1 GLY 73 -4.497 -4.264 -4.264
557 2HA GLY 73 HA2 GLY 73 -5.627 -2.956 -2.956
558 H VAL 74 HN VAL 74 -4.196 -1.914 -1.914
559 HA VAL 74 HA VAL 74 -3.932 -3.379 -3.379
560 HB VAL 74 HB VAL 74 -2.167 -1.240 -1.240
561 1HG1 VAL 74 HG11 VAL 74 -2.029 -2.674 -2.674
562 2HG1 VAL 74 HG12 VAL 74 -0.675 -1.760 -1.760
563 3HG1 VAL 74 HG13 VAL 74 -2.191 -0.925 -0.925
564 1HG2 VAL 74 HG21 VAL 74 -2.143 -3.740 -3.740
565 2HG2 VAL 74 HG22 VAL 74 -0.621 -2.869 -2.869
566 3HG2 VAL 74 HG23 VAL 74 -1.246 -4.015 -4.015
567 H SER 75 HN SER 75 -5.889 -1.261 -1.261
568 HA SER 75 HA SER 75 -6.836 0.697 0.697
569 1HB SER 75 HB2 SER 75 -8.549 0.283 0.283
570 2HB SER 75 HB3 SER 75 -8.114 -1.309 -1.309
571 HG SER 75 HG SER 75 -8.239 -1.376 -1.376
572 H LEU 76 HN LEU 76 -5.064 2.195 2.195
573 HA LEU 76 HA LEU 76 -4.223 2.549 2.549
574 1HB LEU 76 HB2 LEU 76 -2.820 3.992 3.992
575 2HB LEU 76 HB3 LEU 76 -2.195 3.206 3.206
576 HG LEU 76 HG LEU 76 -3.052 1.061 1.061
577 1HD1 LEU 76 HD12 LEU 76 -2.965 3.211 3.211
578 2HD1 LEU 76 HD13 LEU 76 -1.467 2.294 2.294
579 3HD1 LEU 76 HD11 LEU 76 -3.045 1.476 1.476
580 1HD2 LEU 76 HD22 LEU 76 -0.623 2.135 2.135
581 2HD2 LEU 76 HD23 LEU 76 -1.008 0.452 0.452
582 3HD2 LEU 76 HD21 LEU 76 -0.315 1.549 1.549
583 H ASP 77 HN ASP 77 -4.620 4.463 4.463
584 HA ASP 77 HA ASP 77 -6.060 6.456 6.456
585 1HB ASP 77 HB2 ASP 77 -7.075 6.907 6.907
586 2HB ASP 77 HB3 ASP 77 -7.811 5.778 5.778
587 H VAL 78 HN VAL 78 -3.252 5.694 5.694
588 HA VAL 78 HA VAL 78 -1.553 6.909 6.909
589 HB VAL 78 HB VAL 78 -3.317 8.979 8.979
590 1HG1 VAL 78 HG13 VAL 78 -1.405 9.561 9.561
591 2HG1 VAL 78 HG11 VAL 78 -1.511 10.706 10.706
592 3HG1 VAL 78 HG12 VAL 78 -2.962 10.324 10.324
593 1HG2 VAL 78 HG23 VAL 78 -1.011 7.608 7.608
594 2HG2 VAL 78 HG21 VAL 78 -1.721 9.016 9.016
595 3HG2 VAL 78 HG22 VAL 78 -0.433 9.249 9.249
596 H GLY 79 HN GLY 79 -4.680 8.386 8.386
597 1HA GLY 79 HA1 GLY 79 -3.858 9.205 9.205
598 2HA GLY 79 HA2 GLY 79 -5.486 8.721 8.721
599 H GLY 80 HN GLY 80 -3.943 5.987 5.987
600 1HA GLY 80 HA1 GLY 80 -4.038 4.890 4.890
601 2HA GLY 80 HA2 GLY 80 -4.628 4.049 4.049
602 H LYS 81 HN LYS 81 -2.382 5.068 5.068
603 HA LYS 81 HA LYS 81 -0.279 3.345 3.345
604 1HB LYS 81 HB2 LYS 81 0.055 3.608 3.608
605 2HB LYS 81 HB3 LYS 81 -0.387 2.179 2.179
606 1HG LYS 81 HG2 LYS 81 -2.412 4.290 4.290
607 2HG LYS 81 HG3 LYS 81 -2.041 2.867 2.867
608 1HD LYS 81 HD2 LYS 81 -3.086 1.413 1.413
609 2HD LYS 81 HD3 LYS 81 -2.721 2.403 2.403
610 1HE LYS 81 HE2 LYS 81 -4.926 3.009 3.009
611 2HE LYS 81 HE3 LYS 81 -4.399 4.096 4.096
612 1HZ LYS 81 HZ3 LYS 81 -4.752 1.604 1.604
613 2HZ LYS 81 HZ1 LYS 81 -6.071 1.888 1.888
614 3HZ LYS 81 HZ2 LYS 81 -5.643 2.949 2.949
615 H LYS 82 HN LYS 82 0.071 5.398 5.398
616 HA LYS 82 HA LYS 82 0.895 7.755 7.755
617 1HB LYS 82 HB2 LYS 82 3.434 7.422 7.422
618 2HB LYS 82 HB3 LYS 82 2.453 6.956 6.956
619 1HG LYS 82 HG2 LYS 82 2.570 4.675 4.675
620 2HG LYS 82 HG3 LYS 82 4.201 5.302 5.302
621 1HD LYS 82 HD2 LYS 82 4.420 4.435 4.435
622 2HD LYS 82 HD3 LYS 82 3.061 5.388 5.388
623 1HE LYS 82 HE2 LYS 82 1.630 3.605 3.605
624 2HE LYS 82 HE3 LYS 82 2.203 3.075 3.075
625 1HZ LYS 82 HZ1 LYS 82 4.229 2.292 2.292
626 2HZ LYS 82 HZ2 LYS 82 3.369 2.496 2.496
627 3HZ LYS 82 HZ3 LYS 82 2.854 1.441 1.441
628 H GLU 83 HN GLU 83 3.202 5.623 5.623
629 HA GLU 83 HA GLU 83 2.148 6.617 6.617
630 1HB GLU 83 HB2 GLU 83 5.124 6.890 6.890
631 2HB GLU 83 HB3 GLU 83 4.136 7.661 7.661
632 1HG GLU 83 HG2 GLU 83 4.410 9.437 9.437
633 2HG GLU 83 HG3 GLU 83 2.905 8.766 8.766
634 H TYR 84 HN TYR 84 3.138 5.442 5.442
635 HA TYR 84 HA TYR 84 4.526 2.986 2.986
636 1HB TYR 84 HB2 TYR 84 2.749 1.755 1.755
637 2HB TYR 84 HB3 TYR 84 2.108 2.432 2.432
638 HD1 TYR 84 HD2 TYR 84 2.672 3.570 3.570
639 HD2 TYR 84 HD1 TYR 84 0.046 3.465 3.465
640 HE1 TYR 84 HE2 TYR 84 0.903 4.824 4.824
641 HE2 TYR 84 HE1 TYR 84 -1.714 4.719 4.719
642 HH TYR 84 HH TYR 84 -1.999 4.839 4.839
643 H LEU 85 HN LEU 85 5.567 1.946 1.946
644 HA LEU 85 HA LEU 85 6.257 3.872 3.872
645 1HB LEU 85 HB2 LEU 85 7.922 2.194 2.194
646 2HB LEU 85 HB3 LEU 85 8.034 2.675 2.675
647 HG LEU 85 HG LEU 85 8.259 0.155 0.155
648 1HD1 LEU 85 HD13 LEU 85 7.502 1.510 1.510
649 2HD1 LEU 85 HD11 LEU 85 6.660 -0.057 -0.057
650 3HD1 LEU 85 HD12 LEU 85 8.434 0.006 0.006
651 1HD2 LEU 85 HD23 LEU 85 6.118 0.056 0.056
652 2HD2 LEU 85 HD21 LEU 85 6.181 -1.105 -1.105
653 3HD2 LEU 85 HD22 LEU 85 5.255 0.406 0.406
654 H ILE 86 HN ILE 86 3.600 2.039 2.039
655 HA ILE 86 HA ILE 86 2.609 0.464 0.464
656 HB ILE 86 HB ILE 86 2.046 3.286 3.286
657 1HG1 ILE 86 HG12 ILE 86 -0.205 2.560 2.560
658 2HG1 ILE 86 HG13 ILE 86 0.137 0.975 0.975
659 1HG2 ILE 86 HG22 ILE 86 1.685 1.746 1.746
660 2HG2 ILE 86 HG23 ILE 86 0.524 3.012 3.012
661 3HG2 ILE 86 HG21 ILE 86 2.243 3.417 3.417
662 1HD1 ILE 86 HD12 ILE 86 1.927 1.524 1.524
663 2HD1 ILE 86 HD13 ILE 86 0.228 1.730 1.730
664 3HD1 ILE 86 HD11 ILE 86 0.772 0.186 0.186
665 H ALA 87 HN ALA 87 3.788 -0.922 -0.922
666 HA ALA 87 HA ALA 87 4.725 0.199 0.199
667 1HB ALA 87 HB2 ALA 87 6.168 -1.363 -1.363
668 2HB ALA 87 HB3 ALA 87 6.431 -1.879 -1.879
669 3HB ALA 87 HB1 ALA 87 6.791 -0.205 -0.205
670 H GLY 88 HN GLY 88 3.253 -0.546 -0.546
671 1HA GLY 88 HA1 GLY 88 2.957 -3.408 -3.408
672 2HA GLY 88 HA2 GLY 88 1.493 -2.577 -2.577
673 H LYS 89 HN LYS 89 1.909 -3.962 -3.962
674 HA LYS 89 HA LYS 89 2.682 -2.624 -2.624
675 1HB LYS 89 HB2 LYS 89 0.930 -3.761 -3.761
676 2HB LYS 89 HB3 LYS 89 1.617 -4.827 -4.827
677 1HG LYS 89 HG2 LYS 89 -0.567 -3.399 -3.399
678 2HG LYS 89 HG3 LYS 89 -1.135 -4.009 -4.009
679 1HD LYS 89 HD2 LYS 89 0.415 -5.801 -5.801
680 2HD LYS 89 HD3 LYS 89 -1.310 -5.564 -5.564
681 1HE LYS 89 HE2 LYS 89 -0.424 -6.215 -6.215
682 2HE LYS 89 HE3 LYS 89 -0.204 -7.498 -7.498
683 1HZ LYS 89 HZ1 LYS 89 -2.703 -6.386 -6.386
684 2HZ LYS 89 HZ2 LYS 89 -2.565 -6.655 -6.655
685 3HZ LYS 89 HZ3 LYS 89 -2.350 -7.883 -7.883
686 H ALA 90 HN ALA 90 2.696 -0.377 -0.377
687 HA ALA 90 HA ALA 90 0.604 1.216 1.216
688 1HB ALA 90 HB3 ALA 90 3.168 1.487 1.487
689 2HB ALA 90 HB1 ALA 90 2.003 2.517 2.517
690 3HB ALA 90 HB2 ALA 90 2.235 2.712 2.712
691 H GLU 91 HN GLU 91 -0.480 2.872 2.872
692 HA GLU 91 HA GLU 91 -1.610 1.192 1.192
693 1HB GLU 91 HB2 GLU 91 -3.108 1.762 1.762
694 2HB GLU 91 HB3 GLU 91 -3.134 3.401 3.401
695 1HG GLU 91 HG2 GLU 91 -5.089 2.049 2.049
696 2HG GLU 91 HG3 GLU 91 -4.120 2.665 2.665
697 H GLY 92 HN GLY 92 0.532 3.579 3.579
698 1HA GLY 92 HA1 GLY 92 1.108 4.563 4.563
699 2HA GLY 92 HA2 GLY 92 -0.475 5.308 5.308
700 H ASP 93 HN ASP 93 -0.679 7.272 7.272
701 HA ASP 93 HA ASP 93 1.306 7.939 7.939
702 1HB ASP 93 HB2 ASP 93 0.920 9.297 9.297
703 2HB ASP 93 HB3 ASP 93 1.192 10.337 10.337
704 H GLY 94 HN GLY 94 0.371 9.259 9.259
705 1HA GLY 94 HA1 GLY 94 -1.127 10.705 10.705
706 2HA GLY 94 HA2 GLY 94 -2.054 10.752 10.752
707 H LYS 95 HN LYS 95 -1.471 7.504 7.504
708 HA LYS 95 HA LYS 95 -3.148 6.827 6.827
709 1HB LYS 95 HB2 LYS 95 -5.238 6.413 6.413
710 2HB LYS 95 HB3 LYS 95 -4.804 7.976 7.976
711 1HG LYS 95 HG2 LYS 95 -4.182 5.394 5.394
712 2HG LYS 95 HG3 LYS 95 -5.738 6.186 6.186
713 1HD LYS 95 HD2 LYS 95 -4.865 8.003 8.003
714 2HD LYS 95 HD3 LYS 95 -3.318 7.929 7.929
715 1HE LYS 95 HE2 LYS 95 -2.412 6.559 6.559
716 2HE LYS 95 HE3 LYS 95 -3.818 5.513 5.513
717 1HZ LYS 95 HZ3 LYS 95 -4.432 8.010 8.010
718 2HZ LYS 95 HZ1 LYS 95 -3.126 7.372 7.372
719 3HZ LYS 95 HZ2 LYS 95 -4.523 6.527 6.527
720 H MET 96 HN MET 96 -3.104 4.582 4.582
721 HA MET 96 HA MET 96 -2.071 2.970 2.970
722 1HB MET 96 HB2 MET 96 -0.479 2.004 2.004
723 2HB MET 96 HB3 MET 96 0.050 3.301 3.301
724 1HG MET 96 HG2 MET 96 0.029 4.837 4.837
725 2HG MET 96 HG3 MET 96 -1.542 4.314 4.314
726 1HE MET 96 HE1 MET 96 1.938 4.546 4.546
727 2HE MET 96 HE2 MET 96 1.590 4.803 4.803
728 3HE MET 96 HE3 MET 96 2.548 3.394 3.394
729 H HIS 97 HN HIS 97 -1.549 0.607 0.607
730 HA HIS 97 HA HIS 97 -4.084 0.166 0.166
731 1HB HIS 97 HB2 HIS 97 -3.084 -1.079 -1.079
732 2HB HIS 97 HB3 HIS 97 -3.479 -2.258 -2.258
733 HD1 HIS 97 HD1 HIS 97 -5.395 -2.816 -2.816
734 HD2 HIS 97 HD2 HIS 97 -5.875 0.686 0.686
735 HE1 HIS 97 HE1 HIS 97 -7.840 -2.131 -2.131
736 H ILE 98 HN ILE 98 -3.894 -0.863 -0.863
737 HA ILE 98 HA ILE 98 -1.459 -2.375 -2.375
738 HB ILE 98 HB ILE 98 -0.925 -1.215 -1.215
739 1HG1 ILE 98 HG12 ILE 98 -3.476 0.331 0.331
740 2HG1 ILE 98 HG13 ILE 98 -3.042 -0.645 -0.645
741 1HG2 ILE 98 HG22 ILE 98 -0.360 -0.261 -0.261
742 2HG2 ILE 98 HG23 ILE 98 -1.365 1.099 1.099
743 3HG2 ILE 98 HG21 ILE 98 0.081 0.624 0.624
744 1HD1 ILE 98 HD11 ILE 98 -1.116 1.541 1.541
745 2HD1 ILE 98 HD12 ILE 98 -2.743 2.085 2.085
746 3HD1 ILE 98 HD13 ILE 98 -1.805 1.028 1.028
747 H THR 99 HN THR 99 -1.744 -4.066 -4.066
748 HA THR 99 HA THR 99 -4.362 -4.248 -4.248
749 HB THR 99 HB THR 99 -4.158 -6.782 -6.782
750 HG1 THR 99 HG1 THR 99 -3.319 -6.362 -6.362
751 1HG2 THR 99 HG22 THR 99 -5.958 -4.918 -4.918
752 2HG2 THR 99 HG23 THR 99 -4.997 -4.654 -4.654
753 3HG2 THR 99 HG21 THR 99 -5.737 -6.244 -6.244
754 H LEU 100 HN LEU 100 -4.431 -6.076 -6.076
755 HA LEU 100 HA LEU 100 -2.272 -5.812 -5.812
756 1HB LEU 100 HB2 LEU 100 -3.485 -7.081 -7.081
757 2HB LEU 100 HB3 LEU 100 -4.746 -6.490 -6.490
758 HG LEU 100 HG LEU 100 -3.465 -9.164 -9.164
759 1HD1 LEU 100 HD13 LEU 100 -5.057 -8.445 -8.445
760 2HD1 LEU 100 HD11 LEU 100 -5.795 -9.749 -9.749
761 3HD1 LEU 100 HD12 LEU 100 -4.131 -9.924 -9.924
762 1HD2 LEU 100 HD21 LEU 100 -5.497 -7.635 -7.635
763 2HD2 LEU 100 HD22 LEU 100 -4.983 -9.296 -9.296
764 3HD2 LEU 100 HD23 LEU 100 -6.299 -9.016 -9.016
765 H CYS 101 HN CYS 101 -3.163 -8.430 -8.430
766 HA CYS 101 HA CYS 101 -1.077 -10.131 -10.131
767 1HB CYS 101 HB2 CYS 101 -3.229 -10.302 -10.302
768 2HB CYS 101 HB3 CYS 101 -1.958 -10.119 -10.119
769 H ASP 102 HN ASP 102 -1.304 -7.198 -7.198
770 HA ASP 102 HA ASP 102 1.113 -7.644 -7.644
771 1HB ASP 102 HB2 ASP 102 -0.961 -6.005 -6.005
772 2HB ASP 102 HB3 ASP 102 -0.010 -4.883 -4.883
773 H PHE 103 HN PHE 103 2.968 -5.881 -5.881
774 HA PHE 103 HA PHE 103 3.888 -6.001 -6.001
775 1HB PHE 103 HB2 PHE 103 5.465 -6.066 -6.066
776 2HB PHE 103 HB3 PHE 103 4.712 -4.692 -4.692
777 HD1 PHE 103 HD2 PHE 103 5.294 -4.477 -4.477
778 HD2 PHE 103 HD1 PHE 103 6.952 -3.689 -3.689
779 HE1 PHE 103 HE2 PHE 103 6.987 -2.949 -2.949
780 HE2 PHE 103 HE1 PHE 103 8.645 -2.161 -2.161
781 HZ PHE 103 HZ PHE 103 8.642 -1.809 -1.809
782 H ILE 104 HN ILE 104 3.341 -4.669 -4.669
783 HA ILE 104 HA ILE 104 3.319 -1.859 -1.859
784 HB ILE 104 HB ILE 104 0.882 -1.704 -1.704
785 1HG1 ILE 104 HG12 ILE 104 0.790 -4.385 -4.385
786 2HG1 ILE 104 HG13 ILE 104 0.526 -4.115 -4.115
787 1HG2 ILE 104 HG23 ILE 104 2.082 -1.260 -1.260
788 2HG2 ILE 104 HG21 ILE 104 0.788 -2.394 -2.394
789 3HG2 ILE 104 HG22 ILE 104 0.386 -0.876 -0.876
790 1HD1 ILE 104 HD11 ILE 104 -1.369 -2.506 -2.506
791 2HD1 ILE 104 HD12 ILE 104 -1.187 -3.131 -3.131
792 3HD1 ILE 104 HD13 ILE 104 -1.656 -4.230 -4.230
793 H VAL 105 HN VAL 105 3.781 -0.866 -0.866
794 HA VAL 105 HA VAL 105 3.125 -2.175 -2.175
795 HB VAL 105 HB VAL 105 5.856 -1.779 -1.779
796 1HG1 VAL 105 HG13 VAL 105 3.977 -4.083 -4.083
797 2HG1 VAL 105 HG11 VAL 105 5.714 -4.461 -4.461
798 3HG1 VAL 105 HG12 VAL 105 5.069 -3.558 -3.558
799 1HG2 VAL 105 HG23 VAL 105 5.835 -1.791 -1.791
800 2HG2 VAL 105 HG21 VAL 105 7.037 -2.776 -2.776
801 3HG2 VAL 105 HG22 VAL 105 5.585 -3.544 -3.544
802 HA PRO 106 HA PRO 106 3.305 1.952 1.952
803 1HB PRO 106 HB2 PRO 106 3.701 1.739 1.739
804 2HB PRO 106 HB3 PRO 106 2.139 1.504 1.504
805 1HG PRO 106 HG2 PRO 106 3.991 -0.523 -0.523
806 2HG PRO 106 HG3 PRO 106 2.285 -0.679 -0.679
807 1HD PRO 106 HD2 PRO 106 4.473 -1.685 -1.685
808 2HD PRO 106 HD3 PRO 106 2.774 -1.739 -1.739
809 H TRP 107 HN TRP 107 5.970 0.208 0.208
810 HA TRP 107 HA TRP 107 8.076 0.871 0.871
811 1HB TRP 107 HB2 TRP 107 6.954 3.174 3.174
812 2HB TRP 107 HB3 TRP 107 7.541 3.583 3.583
813 HD1 TRP 107 HD1 TRP 107 9.369 1.745 1.745
814 HE1 TRP 107 HE1 TRP 107 11.694 2.890 2.890
815 HE3 TRP 107 HE3 TRP 107 8.888 5.420 5.420
816 HZ2 TRP 107 HZ2 TRP 107 13.042 5.155 5.155
817 HZ3 TRP 107 HZ3 TRP 107 10.754 7.057 7.057
818 HH2 TRP 107 HH2 TRP 107 12.778 6.966 6.966
819 H ASP 108 HN ASP 108 6.714 2.396 2.396
820 HA ASP 108 HA ASP 108 9.012 1.857 1.857
821 1HB ASP 108 HB2 ASP 108 7.244 3.581 3.581
822 2HB ASP 108 HB3 ASP 108 6.146 2.284 2.284
823 H THR 109 HN THR 109 8.571 -0.560 -0.560
824 HA THR 109 HA THR 109 8.080 -2.317 -2.317
825 HB THR 109 HB THR 109 6.265 -3.576 -3.576
826 HG1 THR 109 HG1 THR 109 6.409 -2.651 -2.651
827 1HG2 THR 109 HG22 THR 109 5.710 -1.888 -1.888
828 2HG2 THR 109 HG23 THR 109 5.488 -0.676 -0.676
829 3HG2 THR 109 HG21 THR 109 4.437 -2.112 -2.112
830 H LEU 110 HN LEU 110 8.402 -2.085 -2.085
831 HA LEU 110 HA LEU 110 9.277 -3.993 -3.993
832 1HB LEU 110 HB2 LEU 110 11.484 -2.099 -2.099
833 2HB LEU 110 HB3 LEU 110 11.474 -3.133 -3.133
834 HG LEU 110 HG LEU 110 9.468 -0.916 -0.916
835 1HD1 LEU 110 HD13 LEU 110 11.977 -0.281 -0.281
836 2HD1 LEU 110 HD11 LEU 110 11.714 -0.726 -0.726
837 3HD1 LEU 110 HD12 LEU 110 10.738 0.564 0.564
838 1HD2 LEU 110 HD23 LEU 110 9.369 -3.082 -3.082
839 2HD2 LEU 110 HD21 LEU 110 8.404 -1.587 -1.587
840 3HD2 LEU 110 HD22 LEU 110 9.921 -1.720 -1.720
841 H SER 111 HN SER 111 12.328 -3.509 -3.509
842 HA SER 111 HA SER 111 12.580 -4.918 -4.918
843 1HB SER 111 HB2 SER 111 11.633 -6.851 -6.851
844 2HB SER 111 HB3 SER 111 12.845 -7.418 -7.418
845 HG SER 111 HG SER 111 10.959 -6.101 -6.101
846 H THR 112 HN THR 112 13.463 -5.179 -5.179
847 HA THR 112 HA THR 112 15.918 -4.184 -4.184
848 HB THR 112 HB THR 112 15.887 -6.818 -6.818
849 HG1 THR 112 HG1 THR 112 16.578 -4.757 -4.757
850 1HG2 THR 112 HG23 THR 112 17.972 -6.066 -6.066
851 2HG2 THR 112 HG21 THR 112 18.329 -7.153 -7.153
852 3HG2 THR 112 HG22 THR 112 17.105 -7.613 -7.613
853 H THR 113 HN THR 113 14.837 -7.530 -7.530
854 HA THR 113 HA THR 113 15.934 -7.520 -7.520
855 HB THR 113 HB THR 113 13.422 -8.839 -8.839
856 HG1 THR 113 HG1 THR 113 15.046 -10.097 -10.097
857 1HG2 THR 113 HG22 THR 113 14.030 -8.750 -8.750
858 2HG2 THR 113 HG23 THR 113 14.951 -10.175 -10.175
859 3HG2 THR 113 HG21 THR 113 13.192 -10.102 -10.102
860 H GLN 114 HN GLN 114 13.158 -5.730 -5.730
861 HA GLN 114 HA GLN 114 12.173 -5.289 -5.289
862 1HB GLN 114 HB2 GLN 114 11.344 -4.535 -4.535
863 2HB GLN 114 HB3 GLN 114 10.781 -3.508 -3.508
864 1HG GLN 114 HG2 GLN 114 9.088 -5.037 -5.037
865 2HG GLN 114 HG3 GLN 114 10.262 -5.981 -5.981
866 1HE2 GLN 114 HE22 GLN 114 11.181 -8.032 -8.032
867 2HE2 GLN 114 HE21 GLN 114 11.929 -7.055 -7.055
868 H LYS 115 HN LYS 115 14.192 -3.646 -3.646
869 HA LYS 115 HA LYS 115 14.166 -1.127 -1.127
870 1HB LYS 115 HB2 LYS 115 15.408 -2.363 -2.363
871 2HB LYS 115 HB3 LYS 115 16.460 -1.216 -1.216
872 1HG LYS 115 HG2 LYS 115 15.063 0.594 0.594
873 2HG LYS 115 HG3 LYS 115 13.602 -0.372 -0.372
874 1HD LYS 115 HD2 LYS 115 15.603 -0.248 -0.248
875 2HD LYS 115 HD3 LYS 115 13.946 0.321 0.321
876 1HE LYS 115 HE2 LYS 115 13.345 -2.188 -2.188
877 2HE LYS 115 HE3 LYS 115 14.957 -2.539 -2.539
878 1HZ LYS 115 HZ3 LYS 115 14.175 -1.101 -1.101
879 2HZ LYS 115 HZ1 LYS 115 12.676 -1.490 -1.490
880 3HZ LYS 115 HZ2 LYS 115 13.724 -2.668 -2.668
881 H LYS 116 HN LYS 116 16.301 -4.027 -4.027
882 HA LYS 116 HA LYS 116 18.283 -2.866 -2.866
883 1HB LYS 116 HB2 LYS 116 19.181 -5.028 -5.028
884 2HB LYS 116 HB3 LYS 116 18.405 -4.980 -4.980
885 1HG LYS 116 HG2 LYS 116 17.309 -6.871 -6.871
886 2HG LYS 116 HG3 LYS 116 16.328 -5.838 -5.838
887 1HD LYS 116 HD2 LYS 116 18.963 -6.611 -6.611
888 2HD LYS 116 HD3 LYS 116 17.852 -7.943 -7.943
889 1HE LYS 116 HE2 LYS 116 16.711 -7.332 -7.332
890 2HE LYS 116 HE3 LYS 116 16.304 -5.803 -5.803
891 1HZ LYS 116 HZ3 LYS 116 18.463 -4.973 -4.973
892 2HZ LYS 116 HZ1 LYS 116 18.730 -6.376 -6.376
893 3HZ LYS 116 HZ2 LYS 116 17.490 -5.410 -5.410
894 H SER 117 HN SER 117 15.018 -3.854 -3.854
895 HA SER 117 HA SER 117 15.606 -4.117 -4.117
896 1HB SER 117 HB2 SER 117 13.720 -5.317 -5.317
897 2HB SER 117 HB3 SER 117 12.774 -4.277 -4.277
898 HG SER 117 HG SER 117 14.718 -6.208 -6.208
899 H LEU 118 HN LEU 118 14.939 -1.697 -1.697
900 HA LEU 118 HA LEU 118 13.132 -0.167 -0.167
901 1HB LEU 118 HB2 LEU 118 14.229 -0.070 -0.070
902 2HB LEU 118 HB3 LEU 118 14.118 1.506 1.506
903 HG LEU 118 HG LEU 118 11.686 -0.106 -0.106
904 1HD1 LEU 118 HD11 LEU 118 12.317 -0.977 -0.977
905 2HD1 LEU 118 HD12 LEU 118 12.536 0.676 0.676
906 3HD1 LEU 118 HD13 LEU 118 10.916 0.112 0.112
907 1HD2 LEU 118 HD22 LEU 118 12.499 2.661 2.661
908 2HD2 LEU 118 HD23 LEU 118 11.013 1.973 1.973
909 3HD2 LEU 118 HD21 LEU 118 11.116 2.279 2.279
910 H ASN 119 HN ASN 119 16.583 -0.656 -0.656
911 HA ASN 119 HA ASN 119 17.055 1.792 1.792
912 1HB ASN 119 HB2 ASN 119 19.372 1.615 1.615
913 2HB ASN 119 HB3 ASN 119 18.387 1.302 1.302
914 1HD2 ASN 119 HD22 ASN 119 19.630 -1.860 -1.860
915 2HD2 ASN 119 HD21 ASN 119 18.726 -0.469 -0.469
916 H HIS 120 HN HIS 120 16.075 -1.153 -1.153
917 HA HIS 120 HA HIS 120 18.219 -1.946 -1.946
918 1HB HIS 120 HB2 HIS 120 17.021 -3.946 -3.946
919 2HB HIS 120 HB3 HIS 120 16.859 -3.561 -3.561
920 HD1 HIS 120 HD1 HIS 120 14.596 -1.281 -1.281
921 HD2 HIS 120 HD2 HIS 120 14.520 -5.429 -5.429
922 HE1 HIS 120 HE1 HIS 120 12.144 -1.977 -1.977
923 H ARG 121 HN ARG 121 16.391 0.614 0.614
924 HA ARG 121 HA ARG 121 15.664 1.865 1.865
925 1HB ARG 121 HB2 ARG 121 17.443 0.074 0.074
926 2HB ARG 121 HB3 ARG 121 16.035 0.252 0.252
927 1HG ARG 121 HG2 ARG 121 17.772 2.500 2.500
928 2HG ARG 121 HG3 ARG 121 17.655 2.003 2.003
929 1HD ARG 121 HD2 ARG 121 14.976 2.533 2.533
930 2HD ARG 121 HD3 ARG 121 15.947 3.844 3.844
931 HE ARG 121 HE ARG 121 15.303 3.403 3.403
932 1HH1 ARG 121 HH22 ARG 121 17.886 4.564 4.564
933 2HH1 ARG 121 HH21 ARG 121 18.577 5.593 5.593
934 1HH2 ARG 121 HH12 ARG 121 16.214 4.761 4.761
935 2HH2 ARG 121 HH11 ARG 121 17.619 5.705 5.705
936 H TYR 122 HN TYR 122 15.084 -1.428 -1.428
937 HA TYR 122 HA TYR 122 12.370 -1.522 -1.522
938 1HB TYR 122 HB2 TYR 122 11.970 0.231 0.231
939 2HB TYR 122 HB3 TYR 122 13.278 -0.306 -0.306
940 HD1 TYR 122 HD2 TYR 122 10.041 -1.692 -1.692
941 HD2 TYR 122 HD1 TYR 122 12.662 -1.234 -1.234
942 HE1 TYR 122 HE2 TYR 122 8.376 -2.918 -2.918
943 HE2 TYR 122 HE1 TYR 122 10.989 -2.462 -2.462
944 HH TYR 122 HH TYR 122 7.857 -2.903 -2.903
945 H GLN 123 HN GLN 123 12.905 -3.684 -3.684
946 HA GLN 123 HA GLN 123 13.263 -5.801 -5.801
947 1HB GLN 123 HB2 GLN 123 11.204 -5.640 -5.640
948 2HB GLN 123 HB3 GLN 123 12.117 -5.188 -5.188
949 1HG GLN 123 HG2 GLN 123 13.316 -7.597 -7.597
950 2HG GLN 123 HG3 GLN 123 11.588 -7.852 -7.852
951 1HE2 GLN 123 HE22 GLN 123 12.207 -9.010 -9.010
952 2HE2 GLN 123 HE21 GLN 123 12.322 -9.475 -9.475
953 H MET 124 HN MET 124 15.599 -4.389 -4.389
954 HA MET 124 HA MET 124 16.961 -4.774 -4.774
955 1HB MET 124 HB2 MET 124 17.465 -3.749 -3.749
956 2HB MET 124 HB3 MET 124 18.852 -4.646 -4.646
957 1HG MET 124 HG2 MET 124 17.737 -2.872 -2.872
958 2HG MET 124 HG3 MET 124 18.205 -1.983 -1.983
959 1HE MET 124 HE2 MET 124 19.350 -1.110 -1.110
960 2HE MET 124 HE3 MET 124 21.111 -1.336 -1.336
961 3HE MET 124 HE1 MET 124 20.015 -2.336 -2.336
962 H GLY 125 HN GLY 125 15.925 -7.201 -7.201
963 1HA GLY 125 HA1 GLY 125 16.413 -9.394 -9.394
964 2HA GLY 125 HA2 GLY 125 18.106 -8.956 -8.956
965 H CYS 126 HN CYS 126 15.933 -7.804 -7.804
966 HA CYS 126 HA CYS 126 17.443 -8.930 -8.930
967 1HB CYS 126 HB2 CYS 126 16.015 -7.913 -7.913
968 2HB CYS 126 HB3 CYS 126 15.678 -7.000 -7.000
969 H GLU 127 HN GLU 127 15.929 -10.321 -10.321
970 HA GLU 127 HA GLU 127 14.212 -12.211 -12.211
971 1HB GLU 127 HB2 GLU 127 16.211 -13.013 -13.013
972 2HB GLU 127 HB3 GLU 127 17.077 -13.232 -13.232
973 1HG GLU 127 HG2 GLU 127 16.166 -15.293 -15.293
974 2HG GLU 127 HG3 GLU 127 14.565 -14.583 -14.583
Start of MODEL 13
1 H CYS 1 HN CYS 1 -6.281 -9.653 -9.653
2 HA CYS 1 HA CYS 1 -8.813 -9.091 -9.091
3 1HB CYS 1 HB2 CYS 1 -8.833 -10.921 -10.921
4 2HB CYS 1 HB3 CYS 1 -10.130 -10.847 -10.847
5 H SER 2 HN SER 2 -8.519 -10.100 -10.100
6 HA SER 2 HA SER 2 -7.499 -11.449 -11.449
7 1HB SER 2 HB2 SER 2 -8.514 -13.945 -13.945
8 2HB SER 2 HB3 SER 2 -9.380 -12.698 -12.698
9 HG SER 2 HG SER 2 -10.562 -12.184 -12.184
10 H CYS 3 HN CYS 3 -5.662 -10.966 -10.966
11 HA CYS 3 HA CYS 3 -4.608 -13.573 -13.573
12 1HB CYS 3 HB2 CYS 3 -4.825 -11.548 -11.548
13 2HB CYS 3 HB3 CYS 3 -3.409 -10.924 -10.924
14 H SER 4 HN SER 4 -2.691 -14.402 -14.402
15 HA SER 4 HA SER 4 -1.951 -13.366 -13.366
16 1HB SER 4 HB2 SER 4 -0.362 -15.184 -15.184
17 2HB SER 4 HB3 SER 4 -1.808 -15.783 -15.783
18 HG SER 4 HG SER 4 0.687 -15.846 -15.846
19 HA PRO 5 HA PRO 5 0.893 -10.439 -10.439
20 1HB PRO 5 HB2 PRO 5 1.294 -9.007 -9.007
21 2HB PRO 5 HB3 PRO 5 -0.021 -8.684 -8.684
22 1HG PRO 5 HG2 PRO 5 -0.112 -10.011 -10.011
23 2HG PRO 5 HG3 PRO 5 -1.426 -9.306 -9.306
24 1HD PRO 5 HD2 PRO 5 -0.830 -12.098 -12.098
25 2HD PRO 5 HD3 PRO 5 -2.070 -11.388 -11.388
26 H VAL 6 HN VAL 6 2.191 -12.505 -12.505
27 HA VAL 6 HA VAL 6 4.198 -12.661 -12.661
28 HB VAL 6 HB VAL 6 3.016 -14.674 -14.674
29 1HG1 VAL 6 HG13 VAL 6 3.877 -13.556 -13.556
30 2HG1 VAL 6 HG11 VAL 6 4.594 -15.172 -15.172
31 3HG1 VAL 6 HG12 VAL 6 2.830 -14.962 -14.962
32 1HG2 VAL 6 HG23 VAL 6 5.912 -14.285 -14.285
33 2HG2 VAL 6 HG21 VAL 6 4.831 -15.515 -15.515
34 3HG2 VAL 6 HG22 VAL 6 5.484 -15.734 -15.734
35 H HIS 7 HN HIS 7 5.852 -13.818 -13.818
36 HA HIS 7 HA HIS 7 7.711 -13.033 -13.033
37 1HB HIS 7 HB2 HIS 7 7.066 -11.110 -11.110
38 2HB HIS 7 HB3 HIS 7 6.573 -12.775 -12.775
39 HD1 HIS 7 HD1 HIS 7 4.143 -13.087 -13.087
40 HD2 HIS 7 HD2 HIS 7 4.880 -9.566 -9.566
41 HE1 HIS 7 HE1 HIS 7 1.894 -11.905 -11.905
42 HA PRO 8 HA PRO 8 8.688 -9.688 -9.688
43 1HB PRO 8 HB2 PRO 8 11.175 -10.580 -10.580
44 2HB PRO 8 HB3 PRO 8 9.722 -11.007 -11.007
45 1HG PRO 8 HG2 PRO 8 11.307 -12.659 -12.659
46 2HG PRO 8 HG3 PRO 8 10.133 -13.174 -13.174
47 1HD PRO 8 HD2 PRO 8 9.734 -13.002 -13.002
48 2HD PRO 8 HD3 PRO 8 8.528 -13.404 -13.404
49 H GLN 9 HN GLN 9 10.433 -10.978 -10.978
50 HA GLN 9 HA GLN 9 11.490 -8.284 -8.284
51 1HB GLN 9 HB2 GLN 9 13.405 -9.618 -9.618
52 2HB GLN 9 HB3 GLN 9 12.774 -10.987 -10.987
53 1HG GLN 9 HG2 GLN 9 13.930 -10.266 -10.266
54 2HG GLN 9 HG3 GLN 9 12.850 -8.889 -8.889
55 1HE2 GLN 9 HE22 GLN 9 15.069 -6.835 -6.835
56 2HE2 GLN 9 HE21 GLN 9 13.439 -7.420 -7.420
57 H GLN 10 HN GLN 10 10.106 -11.260 -11.260
58 HA GLN 10 HA GLN 10 10.193 -10.466 -10.466
59 1HB GLN 10 HB2 GLN 10 7.901 -12.082 -12.082
60 2HB GLN 10 HB3 GLN 10 8.651 -12.239 -12.239
61 1HG GLN 10 HG2 GLN 10 10.846 -12.759 -12.759
62 2HG GLN 10 HG3 GLN 10 9.694 -13.142 -13.142
63 1HE2 GLN 10 HE22 GLN 10 9.837 -16.402 -16.402
64 2HE2 GLN 10 HE21 GLN 10 10.358 -15.301 -15.301
65 H ALA 11 HN ALA 11 8.588 -8.975 -8.975
66 HA ALA 11 HA ALA 11 6.264 -8.138 -8.138
67 1HB ALA 11 HB1 ALA 11 7.136 -8.253 -8.253
68 2HB ALA 11 HB2 ALA 11 6.700 -6.571 -6.571
69 3HB ALA 11 HB3 ALA 11 5.517 -7.878 -7.878
70 H PHE 12 HN PHE 12 9.487 -6.878 -6.878
71 HA PHE 12 HA PHE 12 8.881 -4.307 -4.307
72 1HB PHE 12 HB2 PHE 12 11.350 -5.650 -5.650
73 2HB PHE 12 HB3 PHE 12 11.360 -3.986 -3.986
74 HD1 PHE 12 HD1 PHE 12 8.881 -5.977 -5.977
75 HD2 PHE 12 HD2 PHE 12 11.414 -2.576 -2.576
76 HE1 PHE 12 HE1 PHE 12 8.015 -5.235 -5.235
77 HE2 PHE 12 HE2 PHE 12 10.548 -1.834 -1.834
78 HZ PHE 12 HZ PHE 12 8.858 -3.171 -3.171
79 H CYS 13 HN CYS 13 9.532 -7.278 -7.278
80 HA CYS 13 HA CYS 13 11.303 -6.162 -6.162
81 1HB CYS 13 HB2 CYS 13 11.111 -8.793 -8.793
82 2HB CYS 13 HB3 CYS 13 11.191 -8.875 -8.875
83 H ASN 14 HN ASN 14 8.087 -7.154 -7.154
84 HA ASN 14 HA ASN 14 7.416 -7.747 -7.747
85 1HB ASN 14 HB2 ASN 14 6.383 -8.498 -8.498
86 2HB ASN 14 HB3 ASN 14 5.117 -7.568 -7.568
87 1HD2 ASN 14 HD22 ASN 14 6.029 -11.355 -11.355
88 2HD2 ASN 14 HD21 ASN 14 6.782 -10.521 -10.521
89 H ALA 15 HN ALA 15 6.896 -5.349 -5.349
90 HA ALA 15 HA ALA 15 4.893 -3.825 -3.825
91 1HB ALA 15 HB1 ALA 15 7.295 -3.033 -3.033
92 2HB ALA 15 HB2 ALA 15 5.879 -1.995 -1.995
93 3HB ALA 15 HB3 ALA 15 5.689 -3.533 -3.533
94 H ASP 16 HN ASP 16 5.352 -1.396 -1.396
95 HA ASP 16 HA ASP 16 7.642 -1.226 -1.226
96 1HB ASP 16 HB2 ASP 16 4.873 -1.737 -1.737
97 2HB ASP 16 HB3 ASP 16 5.748 -0.463 -0.463
98 H VAL 17 HN VAL 17 6.027 0.069 0.069
99 HA VAL 17 HA VAL 17 6.541 2.753 2.753
100 HB VAL 17 HB VAL 17 4.486 2.530 2.530
101 1HG1 VAL 17 HG11 VAL 17 3.475 1.291 1.291
102 2HG1 VAL 17 HG12 VAL 17 2.341 2.171 2.171
103 3HG1 VAL 17 HG13 VAL 17 3.248 0.778 0.778
104 1HG2 VAL 17 HG22 VAL 17 5.029 4.610 4.610
105 2HG2 VAL 17 HG23 VAL 17 3.364 4.429 4.429
106 3HG2 VAL 17 HG21 VAL 17 3.746 4.041 4.041
107 H VAL 18 HN VAL 18 7.873 2.310 2.310
108 HA VAL 18 HA VAL 18 6.368 1.932 1.932
109 HB VAL 18 HB VAL 18 9.317 2.219 2.219
110 1HG1 VAL 18 HG12 VAL 18 7.193 0.854 0.854
111 2HG1 VAL 18 HG13 VAL 18 8.647 -0.139 -0.139
112 3HG1 VAL 18 HG11 VAL 18 8.784 1.448 1.448
113 1HG2 VAL 18 HG21 VAL 18 7.908 0.283 0.283
114 2HG2 VAL 18 HG22 VAL 18 9.580 0.890 0.890
115 3HG2 VAL 18 HG23 VAL 18 9.152 -0.413 -0.413
116 H ILE 19 HN ILE 19 5.667 3.681 3.681
117 HA ILE 19 HA ILE 19 7.408 6.007 6.007
118 HB ILE 19 HB ILE 19 5.698 7.549 7.549
119 1HG1 ILE 19 HG12 ILE 19 3.918 5.171 5.171
120 2HG1 ILE 19 HG13 ILE 19 3.641 6.830 6.830
121 1HG2 ILE 19 HG23 ILE 19 7.086 6.266 6.266
122 2HG2 ILE 19 HG21 ILE 19 5.546 5.469 5.469
123 3HG2 ILE 19 HG22 ILE 19 5.694 7.237 7.237
124 1HD1 ILE 19 HD13 ILE 19 3.680 7.372 7.372
125 2HD1 ILE 19 HD11 ILE 19 3.426 5.622 5.622
126 3HD1 ILE 19 HD12 ILE 19 2.234 6.600 6.600
127 H ARG 20 HN ARG 20 7.610 6.677 6.677
128 HA ARG 20 HA ARG 20 6.058 5.369 5.369
129 1HB ARG 20 HB2 ARG 20 7.930 7.752 7.752
130 2HB ARG 20 HB3 ARG 20 7.457 6.582 6.582
131 1HG ARG 20 HG2 ARG 20 8.811 4.882 4.882
132 2HG ARG 20 HG3 ARG 20 8.782 5.562 5.562
133 1HD ARG 20 HD2 ARG 20 10.989 5.792 5.792
134 2HD ARG 20 HD3 ARG 20 10.413 7.209 7.209
135 HE ARG 20 HE ARG 20 9.204 7.513 7.513
136 1HH1 ARG 20 HH22 ARG 20 12.531 6.817 6.817
137 2HH1 ARG 20 HH21 ARG 20 13.209 7.587 7.587
138 1HH2 ARG 20 HH12 ARG 20 10.098 8.530 8.530
139 2HH2 ARG 20 HH11 ARG 20 11.815 8.568 8.568
140 H THR 21 HN THR 21 4.371 6.879 6.879
141 HA THR 21 HA THR 21 3.761 9.445 9.445
142 HB THR 21 HB THR 21 3.035 8.629 8.629
143 HG1 THR 21 HG1 THR 21 1.615 10.079 10.079
144 1HG2 THR 21 HG21 THR 21 2.655 6.176 6.176
145 2HG2 THR 21 HG22 THR 21 1.031 6.792 6.792
146 3HG2 THR 21 HG23 THR 21 1.593 6.779 6.779
147 H LYS 22 HN LYS 22 1.515 10.004 10.004
148 HA LYS 22 HA LYS 22 1.006 8.157 8.157
149 1HB LYS 22 HB2 LYS 22 0.776 10.023 10.023
150 2HB LYS 22 HB3 LYS 22 2.353 10.092 10.092
151 1HG LYS 22 HG2 LYS 22 1.592 11.817 11.817
152 2HG LYS 22 HG3 LYS 22 -0.064 11.655 11.655
153 1HD LYS 22 HD2 LYS 22 2.309 12.819 12.819
154 2HD LYS 22 HD3 LYS 22 0.782 13.592 13.592
155 1HE LYS 22 HE2 LYS 22 -0.294 11.710 11.710
156 2HE LYS 22 HE3 LYS 22 1.334 11.438 11.438
157 1HZ LYS 22 HZ1 LYS 22 1.327 13.939 13.939
158 2HZ LYS 22 HZ2 LYS 22 -0.298 13.841 13.841
159 3HZ LYS 22 HZ3 LYS 22 0.482 13.004 13.004
160 H ALA 23 HN ALA 23 -1.028 7.383 7.383
161 HA ALA 23 HA ALA 23 -2.968 8.818 8.818
162 1HB ALA 23 HB2 ALA 23 -2.588 6.407 6.407
163 2HB ALA 23 HB3 ALA 23 -3.033 6.060 6.060
164 3HB ALA 23 HB1 ALA 23 -4.248 6.715 6.715
165 H VAL 24 HN VAL 24 -3.646 10.569 10.569
166 HA VAL 24 HA VAL 24 -4.565 9.944 9.944
167 HB VAL 24 HB VAL 24 -4.737 12.459 12.459
168 1HG1 VAL 24 HG12 VAL 24 -2.244 10.850 10.850
169 2HG1 VAL 24 HG13 VAL 24 -2.059 12.619 12.619
170 3HG1 VAL 24 HG11 VAL 24 -2.884 11.773 11.773
171 1HG2 VAL 24 HG21 VAL 24 -4.653 12.526 12.526
172 2HG2 VAL 24 HG22 VAL 24 -4.005 13.855 13.855
173 3HG2 VAL 24 HG23 VAL 24 -2.901 12.640 12.640
174 H SER 25 HN SER 25 -5.624 11.016 11.016
175 HA SER 25 HA SER 25 -8.352 10.957 10.957
176 1HB SER 25 HB2 SER 25 -8.199 13.099 13.099
177 2HB SER 25 HB3 SER 25 -6.971 12.659 12.659
178 HG SER 25 HG SER 25 -9.046 13.135 13.135
179 H GLU 26 HN GLU 26 -10.018 10.152 10.152
180 HA GLU 26 HA GLU 26 -8.882 8.413 8.413
181 1HB GLU 26 HB2 GLU 26 -10.430 7.430 7.430
182 2HB GLU 26 HB3 GLU 26 -10.478 6.536 6.536
183 1HG GLU 26 HG2 GLU 26 -8.535 5.547 5.547
184 2HG GLU 26 HG3 GLU 26 -7.741 7.083 7.083
185 H LYS 27 HN LYS 27 -11.071 7.077 7.077
186 HA LYS 27 HA LYS 27 -13.348 8.842 8.842
187 1HB LYS 27 HB2 LYS 27 -11.889 9.914 9.914
188 2HB LYS 27 HB3 LYS 27 -11.705 8.399 8.399
189 1HG LYS 27 HG2 LYS 27 -13.903 8.423 8.423
190 2HG LYS 27 HG3 LYS 27 -14.510 9.375 9.375
191 1HD LYS 27 HD2 LYS 27 -14.281 10.549 10.549
192 2HD LYS 27 HD3 LYS 27 -13.708 11.413 11.413
193 1HE LYS 27 HE2 LYS 27 -11.389 10.789 10.789
194 2HE LYS 27 HE3 LYS 27 -11.885 9.687 9.687
195 1HZ LYS 27 HZ1 LYS 27 -12.935 12.243 12.243
196 2HZ LYS 27 HZ2 LYS 27 -11.320 12.348 12.348
197 3HZ LYS 27 HZ3 LYS 27 -11.928 11.360 11.360
198 H GLU 28 HN GLU 28 -14.953 7.422 7.422
199 HA GLU 28 HA GLU 28 -14.616 4.694 4.694
200 1HB GLU 28 HB2 GLU 28 -15.834 5.271 5.271
201 2HB GLU 28 HB3 GLU 28 -16.941 6.303 6.303
202 1HG GLU 28 HG2 GLU 28 -17.123 3.784 3.784
203 2HG GLU 28 HG3 GLU 28 -17.052 3.404 3.404
204 H VAL 29 HN VAL 29 -14.444 4.434 4.434
205 HA VAL 29 HA VAL 29 -16.653 5.486 5.486
206 HB VAL 29 HB VAL 29 -15.163 4.754 4.754
207 1HG1 VAL 29 HG13 VAL 29 -15.236 7.079 7.079
208 2HG1 VAL 29 HG11 VAL 29 -13.508 6.667 6.667
209 3HG1 VAL 29 HG12 VAL 29 -14.273 6.832 6.832
210 1HG2 VAL 29 HG23 VAL 29 -13.826 3.280 3.280
211 2HG2 VAL 29 HG21 VAL 29 -13.103 3.850 3.850
212 3HG2 VAL 29 HG22 VAL 29 -12.811 4.742 4.742
213 H ASP 30 HN ASP 30 -18.228 3.961 3.961
214 HA ASP 30 HA ASP 30 -18.004 1.320 1.320
215 1HB ASP 30 HB2 ASP 30 -20.416 2.566 2.566
216 2HB ASP 30 HB3 ASP 30 -20.398 1.190 1.190
217 H SER 31 HN SER 31 -18.098 -0.510 -0.510
218 HA SER 31 HA SER 31 -18.158 0.187 0.187
219 1HB SER 31 HB2 SER 31 -15.917 -0.363 -0.363
220 2HB SER 31 HB3 SER 31 -16.162 -1.397 -1.397
221 HG SER 31 HG SER 31 -17.045 -2.101 -2.101
222 H GLY 32 HN GLY 32 -20.342 -0.683 -0.683
223 1HA GLY 32 HA1 GLY 32 -22.067 -2.122 -2.122
224 2HA GLY 32 HA2 GLY 32 -21.555 -2.624 -2.624
225 H ASN 33 HN ASN 33 -22.459 -4.758 -4.758
226 HA ASN 33 HA ASN 33 -20.757 -6.007 -6.007
227 1HB ASN 33 HB2 ASN 33 -22.817 -7.458 -7.458
228 2HB ASN 33 HB3 ASN 33 -22.336 -7.811 -7.811
229 1HD2 ASN 33 HD22 ASN 33 -25.590 -5.664 -5.664
230 2HD2 ASN 33 HD21 ASN 33 -24.804 -6.771 -6.771
231 H ASP 34 HN ASP 34 -19.851 -8.308 -8.308
232 HA ASP 34 HA ASP 34 -18.530 -8.047 -8.047
233 1HB ASP 34 HB2 ASP 34 -17.510 -8.682 -8.682
234 2HB ASP 34 HB3 ASP 34 -18.019 -10.299 -10.299
235 H ILE 35 HN ILE 35 -17.942 -10.896 -10.896
236 HA ILE 35 HA ILE 35 -20.441 -11.716 -11.716
237 HB ILE 35 HB ILE 35 -17.715 -13.016 -13.016
238 1HG1 ILE 35 HG12 ILE 35 -17.705 -12.186 -12.186
239 2HG1 ILE 35 HG13 ILE 35 -19.063 -11.166 -11.166
240 1HG2 ILE 35 HG21 ILE 35 -20.326 -13.800 -13.800
241 2HG2 ILE 35 HG22 ILE 35 -18.834 -14.088 -14.088
242 3HG2 ILE 35 HG23 ILE 35 -19.030 -14.806 -14.806
243 1HD1 ILE 35 HD11 ILE 35 -16.600 -11.118 -11.118
244 2HD1 ILE 35 HD12 ILE 35 -16.590 -10.237 -10.237
245 3HD1 ILE 35 HD13 ILE 35 -17.794 -9.833 -9.833
246 H TYR 36 HN TYR 36 -19.347 -11.729 -11.729
247 HA TYR 36 HA TYR 36 -20.425 -14.404 -14.404
248 1HB TYR 36 HB2 TYR 36 -18.041 -13.260 -13.260
249 2HB TYR 36 HB3 TYR 36 -19.025 -12.557 -12.557
250 HD1 TYR 36 HD1 TYR 36 -18.928 -15.979 -15.979
251 HD2 TYR 36 HD2 TYR 36 -18.627 -13.634 -13.634
252 HE1 TYR 36 HE1 TYR 36 -18.674 -18.099 -18.099
253 HE2 TYR 36 HE2 TYR 36 -18.374 -15.761 -15.761
254 HH TYR 36 HH TYR 36 -17.483 -18.553 -18.553
255 H GLY 37 HN GLY 37 -21.408 -11.219 -11.219
256 1HA GLY 37 HA1 GLY 37 -23.471 -10.421 -10.421
257 2HA GLY 37 HA2 GLY 37 -23.636 -11.708 -11.708
258 H ASN 38 HN ASN 38 -20.568 -10.784 -10.784
259 HA ASN 38 HA ASN 38 -21.379 -9.274 -9.274
260 1HB ASN 38 HB2 ASN 38 -18.794 -9.122 -9.122
261 2HB ASN 38 HB3 ASN 38 -19.509 -10.721 -10.721
262 1HD2 ASN 38 HD22 ASN 38 -16.512 -10.901 -10.901
263 2HD2 ASN 38 HD21 ASN 38 -16.899 -10.539 -10.539
264 HA PRO 39 HA PRO 39 -20.596 -5.318 -5.318
265 1HB PRO 39 HB2 PRO 39 -19.983 -3.835 -3.835
266 2HB PRO 39 HB3 PRO 39 -21.625 -4.244 -4.244
267 1HG PRO 39 HG2 PRO 39 -19.962 -5.383 -5.383
268 2HG PRO 39 HG3 PRO 39 -21.701 -5.459 -5.459
269 1HD PRO 39 HD2 PRO 39 -19.817 -7.559 -7.559
270 2HD PRO 39 HD3 PRO 39 -21.541 -7.595 -7.595
271 H ILE 40 HN ILE 40 -19.061 -4.454 -4.454
272 HA ILE 40 HA ILE 40 -16.400 -5.321 -5.321
273 HB ILE 40 HB ILE 40 -17.577 -3.439 -3.439
274 1HG1 ILE 40 HG12 ILE 40 -16.837 -6.375 -6.375
275 2HG1 ILE 40 HG13 ILE 40 -18.434 -5.673 -5.673
276 1HG2 ILE 40 HG23 ILE 40 -14.780 -4.587 -4.587
277 2HG2 ILE 40 HG21 ILE 40 -15.447 -3.744 -3.744
278 3HG2 ILE 40 HG22 ILE 40 -15.248 -2.875 -2.875
279 1HD1 ILE 40 HD13 ILE 40 -17.304 -4.327 -4.327
280 2HD1 ILE 40 HD11 ILE 40 -16.135 -5.667 -5.667
281 3HD1 ILE 40 HD12 ILE 40 -17.860 -6.001 -6.001
282 H LYS 41 HN LYS 41 -16.926 -1.958 -1.958
283 HA LYS 41 HA LYS 41 -16.432 -0.026 -0.026
284 1HB LYS 41 HB2 LYS 41 -17.782 -0.950 -0.950
285 2HB LYS 41 HB3 LYS 41 -16.272 -1.442 -1.442
286 1HG LYS 41 HG2 LYS 41 -15.459 0.931 0.931
287 2HG LYS 41 HG3 LYS 41 -16.984 1.416 1.416
288 1HD LYS 41 HD2 LYS 41 -17.153 -0.136 -0.136
289 2HD LYS 41 HD3 LYS 41 -16.510 1.489 1.489
290 1HE LYS 41 HE2 LYS 41 -18.565 2.282 2.282
291 2HE LYS 41 HE3 LYS 41 -19.220 0.668 0.668
292 1HZ LYS 41 HZ1 LYS 41 -18.324 1.584 1.584
293 2HZ LYS 41 HZ2 LYS 41 -19.285 2.731 2.731
294 3HZ LYS 41 HZ3 LYS 41 -19.847 1.210 1.210
295 H ARG 42 HN ARG 42 -14.514 0.937 0.937
296 HA ARG 42 HA ARG 42 -12.167 -0.471 -0.471
297 1HB ARG 42 HB2 ARG 42 -11.258 0.928 0.928
298 2HB ARG 42 HB3 ARG 42 -11.597 -0.791 -0.791
299 1HG ARG 42 HG2 ARG 42 -14.028 -0.235 -0.235
300 2HG ARG 42 HG3 ARG 42 -13.520 1.423 1.423
301 1HD ARG 42 HD2 ARG 42 -11.678 0.317 0.317
302 2HD ARG 42 HD3 ARG 42 -12.778 -1.047 -1.047
303 HE ARG 42 HE ARG 42 -14.423 1.137 1.137
304 1HH1 ARG 42 HH22 ARG 42 -11.515 -0.192 -0.192
305 2HH1 ARG 42 HH21 ARG 42 -11.909 0.371 0.371
306 1HH2 ARG 42 HH12 ARG 42 -14.943 1.880 1.880
307 2HH2 ARG 42 HH11 ARG 42 -13.872 1.557 1.557
308 H ILE 43 HN ILE 43 -12.701 1.162 1.162
309 HA ILE 43 HA ILE 43 -12.766 3.820 3.820
310 HB ILE 43 HB ILE 43 -11.829 1.841 1.841
311 1HG1 ILE 43 HG12 ILE 43 -12.995 3.464 3.464
312 2HG1 ILE 43 HG13 ILE 43 -13.345 4.457 4.457
313 1HG2 ILE 43 HG23 ILE 43 -9.742 3.098 3.098
314 2HG2 ILE 43 HG21 ILE 43 -10.627 4.618 4.618
315 3HG2 ILE 43 HG22 ILE 43 -10.580 3.376 3.376
316 1HD1 ILE 43 HD11 ILE 43 -14.011 1.603 1.603
317 2HD1 ILE 43 HD12 ILE 43 -14.923 2.362 2.362
318 3HD1 ILE 43 HD13 ILE 43 -14.992 3.055 3.055
319 H GLN 44 HN GLN 44 -11.303 5.594 5.594
320 HA GLN 44 HA GLN 44 -9.029 4.946 4.946
321 1HB GLN 44 HB2 GLN 44 -10.374 7.572 7.572
322 2HB GLN 44 HB3 GLN 44 -8.906 7.504 7.504
323 1HG GLN 44 HG2 GLN 44 -11.666 6.458 6.458
324 2HG GLN 44 HG3 GLN 44 -10.670 7.589 7.589
325 1HE2 GLN 44 HE22 GLN 44 -10.130 3.509 3.509
326 2HE2 GLN 44 HE21 GLN 44 -11.086 4.247 4.247
327 H TYR 45 HN TYR 45 -7.089 6.733 6.733
328 HA TYR 45 HA TYR 45 -6.583 6.702 6.702
329 1HB TYR 45 HB2 TYR 45 -5.227 5.313 5.313
330 2HB TYR 45 HB3 TYR 45 -4.121 6.179 6.179
331 HD1 TYR 45 HD2 TYR 45 -5.730 5.720 5.720
332 HD2 TYR 45 HD1 TYR 45 -4.484 3.097 3.097
333 HE1 TYR 45 HE2 TYR 45 -5.743 3.763 3.763
334 HE2 TYR 45 HE1 TYR 45 -4.500 1.148 1.148
335 HH TYR 45 HH TYR 45 -4.854 0.501 0.501
336 H GLU 46 HN GLU 46 -7.331 9.027 9.027
337 HA GLU 46 HA GLU 46 -5.685 10.593 10.593
338 1HB GLU 46 HB2 GLU 46 -8.093 10.976 10.976
339 2HB GLU 46 HB3 GLU 46 -7.137 11.803 11.803
340 1HG GLU 46 HG2 GLU 46 -6.221 13.344 13.344
341 2HG GLU 46 HG3 GLU 46 -6.833 12.395 12.395
342 H ILE 47 HN ILE 47 -3.560 9.640 9.640
343 HA ILE 47 HA ILE 47 -2.683 10.257 10.257
344 HB ILE 47 HB ILE 47 -0.476 9.655 9.655
345 1HG1 ILE 47 HG12 ILE 47 -1.845 9.923 9.923
346 2HG1 ILE 47 HG13 ILE 47 -0.289 10.542 10.542
347 1HG2 ILE 47 HG23 ILE 47 -2.781 8.033 8.033
348 2HG2 ILE 47 HG21 ILE 47 -1.861 7.488 7.488
349 3HG2 ILE 47 HG22 ILE 47 -1.078 7.545 7.545
350 1HD1 ILE 47 HD11 ILE 47 -0.077 7.736 7.736
351 2HD1 ILE 47 HD12 ILE 47 -0.927 7.975 7.975
352 3HD1 ILE 47 HD13 ILE 47 0.663 8.729 8.729
353 H LYS 48 HN LYS 48 -0.185 11.509 11.509
354 HA LYS 48 HA LYS 48 -0.889 14.118 14.118
355 1HB LYS 48 HB2 LYS 48 -1.206 13.794 13.794
356 2HB LYS 48 HB3 LYS 48 0.533 14.006 14.006
357 1HG LYS 48 HG2 LYS 48 0.396 16.184 16.184
358 2HG LYS 48 HG3 LYS 48 -1.268 15.939 15.939
359 1HD LYS 48 HD2 LYS 48 -0.764 17.404 17.404
360 2HD LYS 48 HD3 LYS 48 -2.115 16.289 16.289
361 1HE LYS 48 HE2 LYS 48 -0.876 14.653 14.653
362 2HE LYS 48 HE3 LYS 48 0.651 15.457 15.457
363 1HZ LYS 48 HZ3 LYS 48 -1.260 17.155 17.155
364 2HZ LYS 48 HZ1 LYS 48 -0.907 15.845 15.845
365 3HZ LYS 48 HZ2 LYS 48 0.287 16.848 16.848
366 H GLN 49 HN GLN 49 0.908 11.552 11.552
367 HA GLN 49 HA GLN 49 2.979 11.085 11.085
368 1HB GLN 49 HB2 GLN 49 2.662 11.966 11.966
369 2HB GLN 49 HB3 GLN 49 2.157 13.527 13.527
370 1HG GLN 49 HG2 GLN 49 4.316 14.370 14.370
371 2HG GLN 49 HG3 GLN 49 5.030 12.822 12.822
372 1HE2 GLN 49 HE22 GLN 49 5.163 11.587 11.587
373 2HE2 GLN 49 HE21 GLN 49 4.827 11.112 11.112
374 H ILE 50 HN ILE 50 4.610 10.939 10.939
375 HA ILE 50 HA ILE 50 5.715 13.478 13.478
376 HB ILE 50 HB ILE 50 5.520 12.804 12.804
377 1HG1 ILE 50 HG12 ILE 50 6.722 10.213 10.213
378 2HG1 ILE 50 HG13 ILE 50 7.457 11.466 11.466
379 1HG2 ILE 50 HG23 ILE 50 3.355 11.971 11.971
380 2HG2 ILE 50 HG21 ILE 50 4.030 10.339 10.339
381 3HG2 ILE 50 HG22 ILE 50 3.743 11.385 11.385
382 1HD1 ILE 50 HD13 ILE 50 5.668 10.939 10.939
383 2HD1 ILE 50 HD11 ILE 50 5.296 9.488 9.488
384 3HD1 ILE 50 HD12 ILE 50 6.919 9.699 9.699
385 H LYS 51 HN LYS 51 6.228 10.284 10.284
386 HA LYS 51 HA LYS 51 8.904 11.090 11.090
387 1HB LYS 51 HB2 LYS 51 8.572 9.571 9.571
388 2HB LYS 51 HB3 LYS 51 9.023 8.397 8.397
389 1HG LYS 51 HG2 LYS 51 11.099 9.417 9.417
390 2HG LYS 51 HG3 LYS 51 10.556 10.996 10.996
391 1HD LYS 51 HD2 LYS 51 10.282 9.481 9.481
392 2HD LYS 51 HD3 LYS 51 11.704 8.768 8.768
393 1HE LYS 51 HE2 LYS 51 12.617 11.160 11.160
394 2HE LYS 51 HE3 LYS 51 11.281 11.707 11.707
395 1HZ LYS 51 HZ2 LYS 51 12.850 9.509 9.509
396 2HZ LYS 51 HZ3 LYS 51 13.566 10.977 10.977
397 3HZ LYS 51 HZ1 LYS 51 12.165 10.760 10.760
398 H MET 52 HN MET 52 9.896 9.334 9.334
399 HA MET 52 HA MET 52 7.844 7.745 7.745
400 1HB MET 52 HB2 MET 52 8.460 8.691 8.691
401 2HB MET 52 HB3 MET 52 7.731 9.895 9.895
402 1HG MET 52 HG2 MET 52 10.515 10.013 10.013
403 2HG MET 52 HG3 MET 52 10.417 9.854 9.854
404 1HE MET 52 HE2 MET 52 11.206 12.087 12.087
405 2HE MET 52 HE3 MET 52 10.769 13.641 13.641
406 3HE MET 52 HE1 MET 52 11.681 12.428 12.428
407 H PHE 53 HN PHE 53 9.378 6.206 6.206
408 HA PHE 53 HA PHE 53 11.985 5.836 5.836
409 1HB PHE 53 HB2 PHE 53 9.540 4.142 4.142
410 2HB PHE 53 HB3 PHE 53 10.906 3.252 3.252
411 HD1 PHE 53 HD2 PHE 53 13.190 4.443 4.443
412 HD2 PHE 53 HD1 PHE 53 9.325 3.543 3.543
413 HE1 PHE 53 HE2 PHE 53 14.140 4.231 4.231
414 HE2 PHE 53 HE1 PHE 53 10.275 3.331 3.331
415 HZ PHE 53 HZ PHE 53 12.670 3.678 3.678
416 H LYS 54 HN LYS 54 9.675 3.832 3.832
417 HA LYS 54 HA LYS 54 11.319 4.423 4.423
418 1HB LYS 54 HB2 LYS 54 11.565 2.065 2.065
419 2HB LYS 54 HB3 LYS 54 10.355 1.643 1.643
420 1HG LYS 54 HG2 LYS 54 12.604 1.210 1.210
421 2HG LYS 54 HG3 LYS 54 11.833 2.488 2.488
422 1HD LYS 54 HD2 LYS 54 13.270 3.629 3.629
423 2HD LYS 54 HD3 LYS 54 14.344 2.595 2.595
424 1HE LYS 54 HE2 LYS 54 12.651 4.873 4.873
425 2HE LYS 54 HE3 LYS 54 14.382 4.924 4.924
426 1HZ LYS 54 HZ3 LYS 54 13.500 2.701 2.701
427 2HZ LYS 54 HZ1 LYS 54 13.245 4.155 4.155
428 3HZ LYS 54 HZ2 LYS 54 14.752 3.721 3.721
429 H GLY 55 HN GLY 55 9.445 5.978 5.978
430 1HA GLY 55 HA1 GLY 55 7.147 4.559 4.559
431 2HA GLY 55 HA2 GLY 55 6.966 5.991 5.991
432 HA PRO 56 HA PRO 56 7.372 7.521 7.521
433 1HB PRO 56 HB2 PRO 56 5.262 9.258 9.258
434 2HB PRO 56 HB3 PRO 56 5.129 7.610 7.610
435 1HG PRO 56 HG2 PRO 56 4.197 8.751 8.751
436 2HG PRO 56 HG3 PRO 56 3.715 7.255 7.255
437 1HD PRO 56 HD2 PRO 56 5.492 7.535 7.535
438 2HD PRO 56 HD3 PRO 56 5.101 6.053 6.053
439 H GLU 57 HN GLU 57 7.266 10.000 10.000
440 HA GLU 57 HA GLU 57 9.178 11.189 11.189
441 1HB GLU 57 HB2 GLU 57 8.280 12.551 12.551
442 2HB GLU 57 HB3 GLU 57 9.883 12.454 12.454
443 1HG GLU 57 HG2 GLU 57 9.791 9.911 9.911
444 2HG GLU 57 HG3 GLU 57 8.385 10.282 10.282
445 H LYS 58 HN LYS 58 5.829 11.633 11.633
446 HA LYS 58 HA LYS 58 5.608 14.253 14.253
447 1HB LYS 58 HB2 LYS 58 4.347 13.116 13.116
448 2HB LYS 58 HB3 LYS 58 3.238 12.598 12.598
449 1HG LYS 58 HG2 LYS 58 2.282 14.651 14.651
450 2HG LYS 58 HG3 LYS 58 3.762 15.321 15.321
451 1HD LYS 58 HD2 LYS 58 3.496 14.775 14.775
452 2HD LYS 58 HD3 LYS 58 2.862 16.253 16.253
453 1HE LYS 58 HE2 LYS 58 5.537 15.840 15.840
454 2HE LYS 58 HE3 LYS 58 5.586 15.654 15.654
455 1HZ LYS 58 HZ2 LYS 58 3.997 17.810 17.810
456 2HZ LYS 58 HZ3 LYS 58 5.176 17.995 17.995
457 3HZ LYS 58 HZ1 LYS 58 5.561 17.845 17.845
458 H ASP 59 HN ASP 59 3.454 11.424 11.424
459 HA ASP 59 HA ASP 59 4.055 10.645 10.645
460 1HB ASP 59 HB2 ASP 59 4.269 12.797 12.797
461 2HB ASP 59 HB3 ASP 59 2.838 13.416 13.416
462 H ILE 60 HN ILE 60 1.947 10.046 10.046
463 HA ILE 60 HA ILE 60 -0.194 9.554 9.554
464 HB ILE 60 HB ILE 60 0.041 8.141 8.141
465 1HG1 ILE 60 HG12 ILE 60 2.327 8.213 8.213
466 2HG1 ILE 60 HG13 ILE 60 1.682 6.638 6.638
467 1HG2 ILE 60 HG23 ILE 60 -1.892 7.907 7.907
468 2HG2 ILE 60 HG21 ILE 60 -0.738 7.040 7.040
469 3HG2 ILE 60 HG22 ILE 60 -1.120 6.410 6.410
470 1HD1 ILE 60 HD12 ILE 60 1.244 7.858 7.858
471 2HD1 ILE 60 HD13 ILE 60 2.687 6.891 6.891
472 3HD1 ILE 60 HD11 ILE 60 1.069 6.156 6.156
473 H GLU 61 HN GLU 61 -0.014 9.885 9.885
474 HA GLU 61 HA GLU 61 -1.086 11.191 11.191
475 1HB GLU 61 HB2 GLU 61 -1.117 12.779 12.779
476 2HB GLU 61 HB3 GLU 61 -2.657 12.977 12.977
477 1HG GLU 61 HG2 GLU 61 -0.982 13.157 13.157
478 2HG GLU 61 HG3 GLU 61 0.087 13.765 13.765
479 H PHE 62 HN PHE 62 -2.501 9.292 9.292
480 HA PHE 62 HA PHE 62 -4.914 9.047 9.047
481 1HB PHE 62 HB2 PHE 62 -4.607 10.147 10.147
482 2HB PHE 62 HB3 PHE 62 -5.789 8.857 8.857
483 HD1 PHE 62 HD1 PHE 62 -7.727 9.097 9.097
484 HD2 PHE 62 HD2 PHE 62 -5.111 12.315 12.315
485 HE1 PHE 62 HE1 PHE 62 -9.437 10.726 10.726
486 HE2 PHE 62 HE2 PHE 62 -6.821 13.944 13.944
487 HZ PHE 62 HZ PHE 62 -8.963 13.130 13.130
488 H ILE 63 HN ILE 63 -4.430 6.952 6.952
489 HA ILE 63 HA ILE 63 -3.836 5.045 5.045
490 HB ILE 63 HB ILE 63 -3.520 4.395 4.395
491 1HG1 ILE 63 HG12 ILE 63 -2.427 6.738 6.738
492 2HG1 ILE 63 HG13 ILE 63 -1.812 5.774 5.774
493 1HG2 ILE 63 HG23 ILE 63 -2.276 3.554 3.554
494 2HG2 ILE 63 HG21 ILE 63 -1.463 3.241 3.241
495 3HG2 ILE 63 HG22 ILE 63 -3.080 2.566 2.566
496 1HD1 ILE 63 HD11 ILE 63 -0.971 5.267 5.267
497 2HD1 ILE 63 HD12 ILE 63 -0.112 6.408 6.408
498 3HD1 ILE 63 HD13 ILE 63 -0.188 4.682 4.682
499 H TYR 64 HN TYR 64 -4.788 2.762 2.762
500 HA TYR 64 HA TYR 64 -7.543 3.135 3.135
501 1HB TYR 64 HB2 TYR 64 -6.265 1.580 1.580
502 2HB TYR 64 HB3 TYR 64 -7.901 1.240 1.240
503 HD1 TYR 64 HD1 TYR 64 -5.915 4.346 4.346
504 HD2 TYR 64 HD2 TYR 64 -9.530 2.140 2.140
505 HE1 TYR 64 HE1 TYR 64 -6.793 6.190 6.190
506 HE2 TYR 64 HE2 TYR 64 -10.395 3.993 3.993
507 HH TYR 64 HH TYR 64 -9.829 6.644 6.644
508 H THR 65 HN THR 65 -8.546 1.283 1.283
509 HA THR 65 HA THR 65 -7.110 -1.122 -1.122
510 HB THR 65 HB THR 65 -5.716 0.303 0.303
511 HG1 THR 65 HG1 THR 65 -6.476 -0.829 -0.829
512 1HG2 THR 65 HG21 THR 65 -8.431 1.218 1.218
513 2HG2 THR 65 HG22 THR 65 -7.092 1.111 1.111
514 3HG2 THR 65 HG23 THR 65 -6.952 2.175 2.175
515 H ALA 66 HN ALA 66 -8.258 -2.033 -2.033
516 HA ALA 66 HA ALA 66 -11.083 -1.945 -1.945
517 1HB ALA 66 HB2 ALA 66 -9.226 -4.045 -4.045
518 2HB ALA 66 HB3 ALA 66 -10.500 -4.035 -4.035
519 3HB ALA 66 HB1 ALA 66 -10.936 -4.180 -4.180
520 HA PRO 67 HA PRO 67 -12.014 -0.009 -0.009
521 1HB PRO 67 HB2 PRO 67 -14.648 -0.676 -0.676
522 2HB PRO 67 HB3 PRO 67 -14.099 0.612 0.612
523 1HG PRO 67 HG2 PRO 67 -15.060 -2.089 -2.089
524 2HG PRO 67 HG3 PRO 67 -14.917 -0.669 -0.669
525 1HD PRO 67 HD2 PRO 67 -13.154 -2.931 -2.931
526 2HD PRO 67 HD3 PRO 67 -12.948 -1.460 -1.460
527 H SER 68 HN SER 68 -13.786 -0.692 -0.692
528 HA SER 68 HA SER 68 -13.910 -1.889 -1.889
529 1HB SER 68 HB2 SER 68 -13.682 -3.854 -3.854
530 2HB SER 68 HB3 SER 68 -12.629 -4.393 -4.393
531 HG SER 68 HG SER 68 -14.961 -5.069 -5.069
532 H SER 69 HN SER 69 -12.070 -4.015 -4.015
533 HA SER 69 HA SER 69 -9.986 -2.266 -2.266
534 1HB SER 69 HB2 SER 69 -9.267 -4.420 -4.420
535 2HB SER 69 HB3 SER 69 -10.773 -3.648 -3.648
536 HG SER 69 HG SER 69 -11.517 -5.663 -5.663
537 H ALA 70 HN ALA 70 -10.148 -3.129 -3.129
538 HA ALA 70 HA ALA 70 -8.526 -3.378 -3.378
539 1HB ALA 70 HB2 ALA 70 -6.966 -3.077 -3.077
540 2HB ALA 70 HB3 ALA 70 -6.554 -4.747 -4.747
541 3HB ALA 70 HB1 ALA 70 -6.325 -3.420 -3.420
542 H VAL 71 HN VAL 71 -9.670 -4.881 -4.881
543 HA VAL 71 HA VAL 71 -9.460 -7.666 -7.666
544 HB VAL 71 HB VAL 71 -11.547 -7.990 -7.990
545 1HG1 VAL 71 HG13 VAL 71 -11.505 -5.724 -5.724
546 2HG1 VAL 71 HG11 VAL 71 -11.875 -5.010 -5.010
547 3HG1 VAL 71 HG12 VAL 71 -12.986 -6.199 -6.199
548 1HG2 VAL 71 HG23 VAL 71 -10.871 -6.221 -6.221
549 2HG2 VAL 71 HG21 VAL 71 -11.096 -7.986 -7.986
550 3HG2 VAL 71 HG22 VAL 71 -12.491 -6.906 -6.906
551 H CYS 72 HN CYS 72 -9.027 -5.403 -5.403
552 HA CYS 72 HA CYS 72 -7.414 -7.506 -7.506
553 1HB CYS 72 HB2 CYS 72 -8.883 -5.344 -5.344
554 2HB CYS 72 HB3 CYS 72 -8.056 -6.744 -6.744
555 H GLY 73 HN GLY 73 -7.080 -5.013 -5.013
556 1HA GLY 73 HA1 GLY 73 -4.649 -4.056 -4.056
557 2HA GLY 73 HA2 GLY 73 -5.876 -2.856 -2.856
558 H VAL 74 HN VAL 74 -4.193 -1.907 -1.907
559 HA VAL 74 HA VAL 74 -3.978 -3.413 -3.413
560 HB VAL 74 HB VAL 74 -2.254 -1.169 -1.169
561 1HG1 VAL 74 HG11 VAL 74 -2.020 -2.929 -2.929
562 2HG1 VAL 74 HG12 VAL 74 -0.701 -1.909 -1.909
563 3HG1 VAL 74 HG13 VAL 74 -2.214 -1.160 -1.160
564 1HG2 VAL 74 HG21 VAL 74 -2.259 -3.582 -3.582
565 2HG2 VAL 74 HG22 VAL 74 -0.744 -2.693 -2.693
566 3HG2 VAL 74 HG23 VAL 74 -1.254 -3.975 -3.975
567 H SER 75 HN SER 75 -5.855 -1.131 -1.131
568 HA SER 75 HA SER 75 -6.819 0.774 0.774
569 1HB SER 75 HB2 SER 75 -8.549 0.316 0.316
570 2HB SER 75 HB3 SER 75 -8.161 -1.235 -1.235
571 HG SER 75 HG SER 75 -7.391 -0.231 -0.231
572 H LEU 76 HN LEU 76 -4.867 2.098 2.098
573 HA LEU 76 HA LEU 76 -4.166 2.374 2.374
574 1HB LEU 76 HB2 LEU 76 -2.598 3.821 3.821
575 2HB LEU 76 HB3 LEU 76 -2.080 2.910 2.910
576 HG LEU 76 HG LEU 76 -2.885 0.857 0.857
577 1HD1 LEU 76 HD13 LEU 76 -3.189 2.943 2.943
578 2HD1 LEU 76 HD11 LEU 76 -1.583 2.299 2.299
579 3HD1 LEU 76 HD12 LEU 76 -3.002 1.225 1.225
580 1HD2 LEU 76 HD22 LEU 76 -0.405 2.057 2.057
581 2HD2 LEU 76 HD23 LEU 76 -0.768 0.351 0.351
582 3HD2 LEU 76 HD21 LEU 76 -0.257 1.441 1.441
583 H ASP 77 HN ASP 77 -4.753 4.157 4.157
584 HA ASP 77 HA ASP 77 -6.132 6.200 6.200
585 1HB ASP 77 HB2 ASP 77 -7.537 6.526 6.526
586 2HB ASP 77 HB3 ASP 77 -7.157 4.828 4.828
587 H VAL 78 HN VAL 78 -3.198 5.458 5.458
588 HA VAL 78 HA VAL 78 -1.416 6.663 6.663
589 HB VAL 78 HB VAL 78 -3.103 8.715 8.715
590 1HG1 VAL 78 HG12 VAL 78 -0.837 9.306 9.306
591 2HG1 VAL 78 HG13 VAL 78 -0.940 10.224 10.224
592 3HG1 VAL 78 HG11 VAL 78 -2.296 10.257 10.257
593 1HG2 VAL 78 HG21 VAL 78 -0.573 7.211 7.211
594 2HG2 VAL 78 HG22 VAL 78 -1.923 7.587 7.587
595 3HG2 VAL 78 HG23 VAL 78 -0.720 8.839 8.839
596 H GLY 79 HN GLY 79 -4.445 8.445 8.445
597 1HA GLY 79 HA1 GLY 79 -3.607 9.747 9.747
598 2HA GLY 79 HA2 GLY 79 -5.207 9.062 9.062
599 H GLY 80 HN GLY 80 -3.621 6.303 6.303
600 1HA GLY 80 HA1 GLY 80 -3.379 5.847 5.847
601 2HA GLY 80 HA2 GLY 80 -4.047 4.691 4.691
602 H LYS 81 HN LYS 81 -2.036 5.373 5.373
603 HA LYS 81 HA LYS 81 0.187 3.878 3.878
604 1HB LYS 81 HB2 LYS 81 0.448 3.878 3.878
605 2HB LYS 81 HB3 LYS 81 -0.071 2.556 2.556
606 1HG LYS 81 HG2 LYS 81 -1.982 4.702 4.702
607 2HG LYS 81 HG3 LYS 81 -1.685 3.205 3.205
608 1HD LYS 81 HD2 LYS 81 -2.868 1.928 1.928
609 2HD LYS 81 HD3 LYS 81 -2.337 2.876 2.876
610 1HE LYS 81 HE2 LYS 81 -4.298 4.015 4.015
611 2HE LYS 81 HE3 LYS 81 -3.975 4.594 4.594
612 1HZ LYS 81 HZ2 LYS 81 -4.778 2.272 2.272
613 2HZ LYS 81 HZ3 LYS 81 -5.463 2.227 2.227
614 3HZ LYS 81 HZ1 LYS 81 -5.886 3.395 3.395
615 H LYS 82 HN LYS 82 0.360 5.735 5.735
616 HA LYS 82 HA LYS 82 1.251 8.144 8.144
617 1HB LYS 82 HB2 LYS 82 3.794 7.797 7.797
618 2HB LYS 82 HB3 LYS 82 2.954 7.390 7.390
619 1HG LYS 82 HG2 LYS 82 2.876 5.044 5.044
620 2HG LYS 82 HG3 LYS 82 4.515 5.661 5.661
621 1HD LYS 82 HD2 LYS 82 4.953 4.844 4.844
622 2HD LYS 82 HD3 LYS 82 3.710 5.875 5.875
623 1HE LYS 82 HE2 LYS 82 2.173 4.167 4.167
624 2HE LYS 82 HE3 LYS 82 2.647 3.477 3.477
625 1HZ LYS 82 HZ3 LYS 82 4.589 3.278 3.278
626 2HZ LYS 82 HZ1 LYS 82 3.238 2.380 2.380
627 3HZ LYS 82 HZ2 LYS 82 4.169 2.183 2.183
628 H GLU 83 HN GLU 83 3.372 5.952 5.952
629 HA GLU 83 HA GLU 83 2.048 6.763 6.763
630 1HB GLU 83 HB2 GLU 83 5.015 7.353 7.353
631 2HB GLU 83 HB3 GLU 83 3.872 7.912 7.912
632 1HG GLU 83 HG2 GLU 83 4.115 9.821 9.821
633 2HG GLU 83 HG3 GLU 83 2.664 9.098 9.098
634 H TYR 84 HN TYR 84 2.666 5.431 5.431
635 HA TYR 84 HA TYR 84 4.326 3.124 3.124
636 1HB TYR 84 HB2 TYR 84 2.624 1.852 1.852
637 2HB TYR 84 HB3 TYR 84 1.921 2.525 2.525
638 HD1 TYR 84 HD2 TYR 84 2.592 3.662 3.662
639 HD2 TYR 84 HD1 TYR 84 -0.152 3.519 3.519
640 HE1 TYR 84 HE2 TYR 84 0.851 4.882 4.882
641 HE2 TYR 84 HE1 TYR 84 -1.885 4.739 4.739
642 HH TYR 84 HH TYR 84 -2.027 4.851 4.851
643 H LEU 85 HN LEU 85 5.406 2.039 2.039
644 HA LEU 85 HA LEU 85 6.177 3.960 3.960
645 1HB LEU 85 HB2 LEU 85 7.850 2.231 2.231
646 2HB LEU 85 HB3 LEU 85 7.942 2.812 2.812
647 HG LEU 85 HG LEU 85 8.166 0.251 0.251
648 1HD1 LEU 85 HD11 LEU 85 7.827 1.675 1.675
649 2HD1 LEU 85 HD12 LEU 85 6.429 0.575 0.575
650 3HD1 LEU 85 HD13 LEU 85 8.076 -0.087 -0.087
651 1HD2 LEU 85 HD23 LEU 85 5.163 0.595 0.595
652 2HD2 LEU 85 HD21 LEU 85 6.077 -0.003 -0.003
653 3HD2 LEU 85 HD22 LEU 85 6.028 -0.957 -0.957
654 H ILE 86 HN ILE 86 3.524 2.097 2.097
655 HA ILE 86 HA ILE 86 2.602 0.504 0.504
656 HB ILE 86 HB ILE 86 1.995 3.309 3.309
657 1HG1 ILE 86 HG12 ILE 86 -0.275 2.522 2.522
658 2HG1 ILE 86 HG13 ILE 86 0.183 0.931 0.931
659 1HG2 ILE 86 HG21 ILE 86 1.796 1.810 1.810
660 2HG2 ILE 86 HG22 ILE 86 0.573 3.030 3.030
661 3HG2 ILE 86 HG23 ILE 86 2.289 3.493 3.493
662 1HD1 ILE 86 HD11 ILE 86 1.802 1.582 1.582
663 2HD1 ILE 86 HD12 ILE 86 0.084 1.842 1.842
664 3HD1 ILE 86 HD13 ILE 86 0.634 0.255 0.255
665 H ALA 87 HN ALA 87 3.716 -0.886 -0.886
666 HA ALA 87 HA ALA 87 4.772 0.251 0.251
667 1HB ALA 87 HB3 ALA 87 6.215 -1.067 -1.067
668 2HB ALA 87 HB1 ALA 87 6.373 -1.970 -1.970
669 3HB ALA 87 HB2 ALA 87 6.846 -0.256 -0.256
670 H GLY 88 HN GLY 88 3.440 -0.521 -0.521
671 1HA GLY 88 HA1 GLY 88 2.932 -3.412 -3.412
672 2HA GLY 88 HA2 GLY 88 1.560 -2.322 -2.322
673 H LYS 89 HN LYS 89 1.488 -3.753 -3.753
674 HA LYS 89 HA LYS 89 3.190 -3.274 -3.274
675 1HB LYS 89 HB2 LYS 89 1.269 -3.919 -3.919
676 2HB LYS 89 HB3 LYS 89 1.539 -5.011 -5.011
677 1HG LYS 89 HG2 LYS 89 -0.212 -3.102 -3.102
678 2HG LYS 89 HG3 LYS 89 -0.786 -3.280 -3.280
679 1HD LYS 89 HD2 LYS 89 -1.308 -5.557 -5.557
680 2HD LYS 89 HD3 LYS 89 -0.135 -5.786 -5.786
681 1HE LYS 89 HE2 LYS 89 -1.819 -5.539 -5.539
682 2HE LYS 89 HE3 LYS 89 -1.930 -3.855 -3.855
683 1HZ LYS 89 HZ3 LYS 89 -3.401 -4.620 -4.620
684 2HZ LYS 89 HZ1 LYS 89 -3.417 -6.106 -6.106
685 3HZ LYS 89 HZ2 LYS 89 -4.022 -4.829 -4.829
686 H ALA 90 HN ALA 90 0.659 -1.211 -1.211
687 HA ALA 90 HA ALA 90 0.347 0.983 0.983
688 1HB ALA 90 HB3 ALA 90 2.925 0.625 0.625
689 2HB ALA 90 HB1 ALA 90 2.014 1.635 1.635
690 3HB ALA 90 HB2 ALA 90 2.181 2.145 2.145
691 H GLU 91 HN GLU 91 -0.402 2.615 2.615
692 HA GLU 91 HA GLU 91 -1.680 1.022 1.022
693 1HB GLU 91 HB2 GLU 91 -3.153 1.717 1.717
694 2HB GLU 91 HB3 GLU 91 -3.209 3.275 3.275
695 1HG GLU 91 HG2 GLU 91 -5.135 1.835 1.835
696 2HG GLU 91 HG3 GLU 91 -4.142 2.254 2.254
697 H GLY 92 HN GLY 92 0.528 3.324 3.324
698 1HA GLY 92 HA1 GLY 92 1.285 4.372 4.372
699 2HA GLY 92 HA2 GLY 92 -0.309 5.099 5.099
700 H ASP 93 HN ASP 93 -0.255 7.218 7.218
701 HA ASP 93 HA ASP 93 1.419 7.851 7.851
702 1HB ASP 93 HB2 ASP 93 0.964 9.454 9.454
703 2HB ASP 93 HB3 ASP 93 1.655 10.164 10.164
704 H GLY 94 HN GLY 94 0.441 9.358 9.358
705 1HA GLY 94 HA1 GLY 94 -1.152 10.733 10.733
706 2HA GLY 94 HA2 GLY 94 -1.991 10.742 10.742
707 H LYS 95 HN LYS 95 -1.439 7.511 7.511
708 HA LYS 95 HA LYS 95 -3.218 6.856 6.856
709 1HB LYS 95 HB2 LYS 95 -5.249 6.404 6.404
710 2HB LYS 95 HB3 LYS 95 -4.794 7.970 7.970
711 1HG LYS 95 HG2 LYS 95 -4.191 5.331 5.331
712 2HG LYS 95 HG3 LYS 95 -5.613 6.301 6.301
713 1HD LYS 95 HD2 LYS 95 -2.713 7.201 7.201
714 2HD LYS 95 HD3 LYS 95 -3.823 6.797 6.797
715 1HE LYS 95 HE2 LYS 95 -4.047 9.137 9.137
716 2HE LYS 95 HE3 LYS 95 -3.766 9.225 9.225
717 1HZ LYS 95 HZ1 LYS 95 -5.973 8.034 8.034
718 2HZ LYS 95 HZ2 LYS 95 -6.216 8.436 8.436
719 3HZ LYS 95 HZ3 LYS 95 -6.013 9.605 9.605
720 H MET 96 HN MET 96 -3.087 4.651 4.651
721 HA MET 96 HA MET 96 -2.005 2.978 2.978
722 1HB MET 96 HB2 MET 96 -0.403 2.104 2.104
723 2HB MET 96 HB3 MET 96 0.094 3.423 3.423
724 1HG MET 96 HG2 MET 96 0.041 4.925 4.925
725 2HG MET 96 HG3 MET 96 -1.557 4.410 4.410
726 1HE MET 96 HE3 MET 96 1.885 4.644 4.644
727 2HE MET 96 HE1 MET 96 1.577 4.793 4.793
728 3HE MET 96 HE2 MET 96 2.494 3.402 3.402
729 H HIS 97 HN HIS 97 -1.531 0.640 0.640
730 HA HIS 97 HA HIS 97 -4.045 0.221 0.221
731 1HB HIS 97 HB2 HIS 97 -3.029 -1.057 -1.057
732 2HB HIS 97 HB3 HIS 97 -3.387 -2.224 -2.224
733 HD1 HIS 97 HD1 HIS 97 -5.352 -2.980 -2.980
734 HD2 HIS 97 HD2 HIS 97 -5.802 0.781 0.781
735 HE1 HIS 97 HE1 HIS 97 -7.799 -2.329 -2.329
736 H ILE 98 HN ILE 98 -3.862 -0.763 -0.763
737 HA ILE 98 HA ILE 98 -1.418 -2.239 -2.239
738 HB ILE 98 HB ILE 98 -0.999 -1.029 -1.029
739 1HG1 ILE 98 HG12 ILE 98 -3.336 0.708 0.708
740 2HG1 ILE 98 HG13 ILE 98 -3.217 -0.298 -0.298
741 1HG2 ILE 98 HG22 ILE 98 -0.139 -0.311 -0.311
742 2HG2 ILE 98 HG23 ILE 98 -1.138 1.131 1.131
743 3HG2 ILE 98 HG21 ILE 98 0.174 0.707 0.707
744 1HD1 ILE 98 HD13 ILE 98 -1.083 1.785 1.785
745 2HD1 ILE 98 HD11 ILE 98 -2.691 2.317 2.317
746 3HD1 ILE 98 HD12 ILE 98 -1.758 1.159 1.159
747 H THR 99 HN THR 99 -1.796 -4.034 -4.034
748 HA THR 99 HA THR 99 -4.369 -4.151 -4.151
749 HB THR 99 HB THR 99 -4.750 -6.399 -6.399
750 HG1 THR 99 HG1 THR 99 -3.108 -6.988 -6.988
751 1HG2 THR 99 HG23 THR 99 -3.958 -4.381 -4.381
752 2HG2 THR 99 HG21 THR 99 -4.945 -5.839 -5.839
753 3HG2 THR 99 HG22 THR 99 -5.569 -4.512 -4.512
754 H LEU 100 HN LEU 100 -4.452 -5.875 -5.875
755 HA LEU 100 HA LEU 100 -2.281 -5.696 -5.696
756 1HB LEU 100 HB2 LEU 100 -3.473 -7.018 -7.018
757 2HB LEU 100 HB3 LEU 100 -4.737 -6.357 -6.357
758 HG LEU 100 HG LEU 100 -3.702 -8.899 -8.899
759 1HD1 LEU 100 HD12 LEU 100 -4.810 -8.784 -8.784
760 2HD1 LEU 100 HD13 LEU 100 -4.887 -10.246 -10.246
761 3HD1 LEU 100 HD11 LEU 100 -3.309 -9.549 -9.549
762 1HD2 LEU 100 HD23 LEU 100 -6.299 -7.519 -7.519
763 2HD2 LEU 100 HD21 LEU 100 -5.672 -8.400 -8.400
764 3HD2 LEU 100 HD22 LEU 100 -6.328 -9.298 -9.298
765 H CYS 101 HN CYS 101 -2.667 -7.545 -7.545
766 HA CYS 101 HA CYS 101 -0.665 -9.474 -9.474
767 1HB CYS 101 HB2 CYS 101 -2.902 -9.775 -9.775
768 2HB CYS 101 HB3 CYS 101 -1.694 -9.547 -9.547
769 H ASP 102 HN ASP 102 -1.189 -6.525 -6.525
770 HA ASP 102 HA ASP 102 1.217 -6.830 -6.830
771 1HB ASP 102 HB2 ASP 102 -1.059 -5.431 -5.431
772 2HB ASP 102 HB3 ASP 102 -0.141 -4.164 -4.164
773 H PHE 103 HN PHE 103 3.123 -6.682 -6.682
774 HA PHE 103 HA PHE 103 3.869 -5.974 -5.974
775 1HB PHE 103 HB2 PHE 103 5.541 -6.049 -6.049
776 2HB PHE 103 HB3 PHE 103 4.794 -4.725 -4.725
777 HD1 PHE 103 HD2 PHE 103 5.192 -4.353 -4.353
778 HD2 PHE 103 HD1 PHE 103 7.028 -3.687 -3.687
779 HE1 PHE 103 HE2 PHE 103 6.798 -2.745 -2.745
780 HE2 PHE 103 HE1 PHE 103 8.634 -2.078 -2.078
781 HZ PHE 103 HZ PHE 103 8.499 -1.627 -1.627
782 H ILE 104 HN ILE 104 3.321 -4.596 -4.596
783 HA ILE 104 HA ILE 104 3.258 -1.803 -1.803
784 HB ILE 104 HB ILE 104 0.789 -1.652 -1.652
785 1HG1 ILE 104 HG12 ILE 104 0.811 -4.385 -4.385
786 2HG1 ILE 104 HG13 ILE 104 0.384 -4.022 -4.022
787 1HG2 ILE 104 HG22 ILE 104 2.073 -1.245 -1.245
788 2HG2 ILE 104 HG23 ILE 104 0.809 -2.401 -2.401
789 3HG2 ILE 104 HG21 ILE 104 0.361 -0.871 -0.871
790 1HD1 ILE 104 HD12 ILE 104 -1.447 -2.471 -2.471
791 2HD1 ILE 104 HD13 ILE 104 -1.112 -3.211 -3.211
792 3HD1 ILE 104 HD11 ILE 104 -1.696 -4.218 -4.218
793 H VAL 105 HN VAL 105 3.648 -0.774 -0.774
794 HA VAL 105 HA VAL 105 2.906 -2.041 -2.041
795 HB VAL 105 HB VAL 105 5.565 -1.684 -1.684
796 1HG1 VAL 105 HG11 VAL 105 3.681 -3.878 -3.878
797 2HG1 VAL 105 HG12 VAL 105 5.326 -4.398 -4.398
798 3HG1 VAL 105 HG13 VAL 105 5.021 -3.651 -3.651
799 1HG2 VAL 105 HG22 VAL 105 5.328 -2.850 -2.850
800 2HG2 VAL 105 HG23 VAL 105 6.203 -1.377 -1.377
801 3HG2 VAL 105 HG21 VAL 105 6.778 -2.974 -2.974
802 HA PRO 106 HA PRO 106 3.023 2.107 2.107
803 1HB PRO 106 HB2 PRO 106 3.335 1.948 1.948
804 2HB PRO 106 HB3 PRO 106 1.800 1.689 1.689
805 1HG PRO 106 HG2 PRO 106 3.630 -0.306 -0.306
806 2HG PRO 106 HG3 PRO 106 1.936 -0.480 -0.480
807 1HD PRO 106 HD2 PRO 106 4.178 -1.500 -1.500
808 2HD PRO 106 HD3 PRO 106 2.493 -1.573 -1.573
809 H TRP 107 HN TRP 107 5.670 0.517 0.517
810 HA TRP 107 HA TRP 107 7.789 1.151 1.151
811 1HB TRP 107 HB2 TRP 107 6.837 3.363 3.363
812 2HB TRP 107 HB3 TRP 107 6.946 3.859 3.859
813 HD1 TRP 107 HD1 TRP 107 9.556 2.281 2.281
814 HE1 TRP 107 HE1 TRP 107 11.854 3.570 3.570
815 HE3 TRP 107 HE3 TRP 107 8.051 5.618 5.618
816 HZ2 TRP 107 HZ2 TRP 107 12.763 5.790 5.790
817 HZ3 TRP 107 HZ3 TRP 107 9.706 7.313 7.313
818 HH2 TRP 107 HH2 TRP 107 11.992 7.433 7.433
819 H ASP 108 HN ASP 108 6.461 2.812 2.812
820 HA ASP 108 HA ASP 108 8.722 2.191 2.191
821 1HB ASP 108 HB2 ASP 108 7.077 4.043 4.043
822 2HB ASP 108 HB3 ASP 108 5.885 2.842 2.842
823 H THR 109 HN THR 109 8.195 -0.244 -0.244
824 HA THR 109 HA THR 109 7.553 -1.870 -1.870
825 HB THR 109 HB THR 109 5.743 -3.098 -3.098
826 HG1 THR 109 HG1 THR 109 5.919 -0.340 -0.340
827 1HG2 THR 109 HG21 THR 109 5.286 -1.618 -1.618
828 2HG2 THR 109 HG22 THR 109 4.967 -0.301 -0.301
829 3HG2 THR 109 HG23 THR 109 3.959 -1.768 -1.768
830 H LEU 110 HN LEU 110 7.855 -1.911 -1.911
831 HA LEU 110 HA LEU 110 8.685 -3.845 -3.845
832 1HB LEU 110 HB2 LEU 110 10.978 -2.085 -2.085
833 2HB LEU 110 HB3 LEU 110 11.004 -3.197 -3.197
834 HG LEU 110 HG LEU 110 9.130 -0.825 -0.825
835 1HD1 LEU 110 HD13 LEU 110 11.642 -0.321 -0.321
836 2HD1 LEU 110 HD11 LEU 110 11.546 -0.973 -0.973
837 3HD1 LEU 110 HD12 LEU 110 10.567 0.442 0.442
838 1HD2 LEU 110 HD23 LEU 110 9.058 -3.101 -3.101
839 2HD2 LEU 110 HD21 LEU 110 8.080 -1.618 -1.618
840 3HD2 LEU 110 HD22 LEU 110 9.614 -1.745 -1.745
841 H SER 111 HN SER 111 11.708 -3.608 -3.608
842 HA SER 111 HA SER 111 11.708 -5.009 -5.009
843 1HB SER 111 HB2 SER 111 10.752 -6.852 -6.852
844 2HB SER 111 HB3 SER 111 11.901 -7.517 -7.517
845 HG SER 111 HG SER 111 9.456 -7.605 -7.605
846 H THR 112 HN THR 112 12.811 -5.409 -5.409
847 HA THR 112 HA THR 112 15.313 -4.531 -4.531
848 HB THR 112 HB THR 112 15.032 -7.124 -7.124
849 HG1 THR 112 HG1 THR 112 15.966 -5.459 -5.459
850 1HG2 THR 112 HG21 THR 112 17.175 -6.611 -6.611
851 2HG2 THR 112 HG22 THR 112 17.572 -7.494 -7.494
852 3HG2 THR 112 HG23 THR 112 16.339 -8.135 -8.135
853 H THR 113 HN THR 113 14.126 -7.833 -7.833
854 HA THR 113 HA THR 113 15.389 -7.916 -7.916
855 HB THR 113 HB THR 113 12.743 -9.101 -9.101
856 HG1 THR 113 HG1 THR 113 14.684 -9.724 -9.724
857 1HG2 THR 113 HG21 THR 113 14.540 -9.979 -9.979
858 2HG2 THR 113 HG22 THR 113 13.094 -10.834 -10.834
859 3HG2 THR 113 HG23 THR 113 12.931 -9.243 -9.243
860 H GLN 114 HN GLN 114 12.731 -5.891 -5.891
861 HA GLN 114 HA GLN 114 11.895 -5.485 -5.485
862 1HB GLN 114 HB2 GLN 114 10.952 -4.580 -4.580
863 2HB GLN 114 HB3 GLN 114 10.487 -3.623 -3.623
864 1HG GLN 114 HG2 GLN 114 8.741 -5.126 -5.126
865 2HG GLN 114 HG3 GLN 114 9.896 -6.074 -6.074
866 1HE2 GLN 114 HE22 GLN 114 10.794 -8.227 -8.227
867 2HE2 GLN 114 HE21 GLN 114 11.511 -7.294 -7.294
868 H LYS 115 HN LYS 115 13.775 -3.850 -3.850
869 HA LYS 115 HA LYS 115 13.989 -1.380 -1.380
870 1HB LYS 115 HB2 LYS 115 15.060 -2.650 -2.650
871 2HB LYS 115 HB3 LYS 115 16.169 -1.521 -1.521
872 1HG LYS 115 HG2 LYS 115 14.782 0.311 0.311
873 2HG LYS 115 HG3 LYS 115 13.311 -0.629 -0.629
874 1HD LYS 115 HD2 LYS 115 15.190 -0.567 -0.567
875 2HD LYS 115 HD3 LYS 115 13.557 0.066 0.066
876 1HE LYS 115 HE2 LYS 115 12.878 -2.407 -2.407
877 2HE LYS 115 HE3 LYS 115 14.453 -2.836 -2.836
878 1HZ LYS 115 HZ1 LYS 115 13.600 -1.304 -1.304
879 2HZ LYS 115 HZ2 LYS 115 12.145 -1.808 -1.808
880 3HZ LYS 115 HZ3 LYS 115 13.256 -2.900 -2.900
881 H LYS 116 HN LYS 116 15.889 -4.425 -4.425
882 HA LYS 116 HA LYS 116 18.070 -3.401 -3.401
883 1HB LYS 116 HB2 LYS 116 18.509 -5.841 -5.841
884 2HB LYS 116 HB3 LYS 116 18.375 -5.399 -5.399
885 1HG LYS 116 HG2 LYS 116 16.305 -6.461 -6.461
886 2HG LYS 116 HG3 LYS 116 15.854 -6.255 -6.255
887 1HD LYS 116 HD2 LYS 116 18.201 -7.889 -7.889
888 2HD LYS 116 HD3 LYS 116 17.176 -8.517 -8.517
889 1HE LYS 116 HE2 LYS 116 15.233 -8.464 -8.464
890 2HE LYS 116 HE3 LYS 116 16.430 -8.125 -8.125
891 1HZ LYS 116 HZ3 LYS 116 17.568 -10.162 -10.162
892 2HZ LYS 116 HZ1 LYS 116 16.366 -10.489 -10.489
893 3HZ LYS 116 HZ2 LYS 116 16.057 -10.453 -10.453
894 H SER 117 HN SER 117 14.792 -3.940 -3.940
895 HA SER 117 HA SER 117 15.514 -4.337 -4.337
896 1HB SER 117 HB2 SER 117 13.482 -5.404 -5.404
897 2HB SER 117 HB3 SER 117 12.643 -4.084 -4.084
898 HG SER 117 HG SER 117 13.577 -6.487 -6.487
899 H LEU 118 HN LEU 118 14.761 -1.860 -1.860
900 HA LEU 118 HA LEU 118 13.379 -0.108 -0.108
901 1HB LEU 118 HB2 LEU 118 14.810 0.325 0.325
902 2HB LEU 118 HB3 LEU 118 13.910 1.570 1.570
903 HG LEU 118 HG LEU 118 12.786 -1.010 -1.010
904 1HD1 LEU 118 HD12 LEU 118 13.082 1.721 1.721
905 2HD1 LEU 118 HD13 LEU 118 11.440 1.047 1.047
906 3HD1 LEU 118 HD11 LEU 118 12.824 0.177 0.177
907 1HD2 LEU 118 HD23 LEU 118 11.637 1.018 1.018
908 2HD2 LEU 118 HD21 LEU 118 11.346 -0.734 -0.734
909 3HD2 LEU 118 HD22 LEU 118 10.584 0.375 0.375
910 H ASN 119 HN ASN 119 16.761 -0.919 -0.919
911 HA ASN 119 HA ASN 119 17.650 1.430 1.430
912 1HB ASN 119 HB2 ASN 119 19.913 0.638 0.638
913 2HB ASN 119 HB3 ASN 119 18.903 0.520 0.520
914 1HD2 ASN 119 HD22 ASN 119 20.177 -2.859 -2.859
915 2HD2 ASN 119 HD21 ASN 119 20.123 -1.299 -1.299
916 H HIS 120 HN HIS 120 16.632 -1.807 -1.807
917 HA HIS 120 HA HIS 120 18.337 -2.103 -2.103
918 1HB HIS 120 HB2 HIS 120 16.940 -3.868 -3.868
919 2HB HIS 120 HB3 HIS 120 16.404 -4.178 -4.178
920 HD1 HIS 120 HD1 HIS 120 17.747 -6.530 -6.530
921 HD2 HIS 120 HD2 HIS 120 20.051 -3.114 -3.114
922 HE1 HIS 120 HE1 HIS 120 20.102 -7.361 -7.361
923 H ARG 121 HN ARG 121 16.420 0.138 0.138
924 HA ARG 121 HA ARG 121 15.039 1.166 1.166
925 1HB ARG 121 HB2 ARG 121 15.562 -1.189 -1.189
926 2HB ARG 121 HB3 ARG 121 14.561 0.173 0.173
927 1HG ARG 121 HG2 ARG 121 17.273 0.799 0.799
928 2HG ARG 121 HG3 ARG 121 17.230 0.105 0.105
929 1HD ARG 121 HD2 ARG 121 15.212 2.061 2.061
930 2HD ARG 121 HD3 ARG 121 16.454 2.812 2.812
931 HE ARG 121 HE ARG 121 16.599 2.316 2.316
932 1HH1 ARG 121 HH22 ARG 121 18.595 2.334 2.334
933 2HH1 ARG 121 HH21 ARG 121 20.061 2.674 2.674
934 1HH2 ARG 121 HH12 ARG 121 18.533 2.764 2.764
935 2HH2 ARG 121 HH11 ARG 121 20.026 2.919 2.919
936 H TYR 122 HN TYR 122 13.656 -1.470 -1.470
937 HA TYR 122 HA TYR 122 11.572 -1.891 -1.891
938 1HB TYR 122 HB2 TYR 122 9.890 -1.317 -1.317
939 2HB TYR 122 HB3 TYR 122 11.083 -0.039 -0.039
940 HD1 TYR 122 HD1 TYR 122 12.677 0.039 0.039
941 HD2 TYR 122 HD2 TYR 122 9.552 -2.877 -2.877
942 HE1 TYR 122 HE1 TYR 122 12.965 -0.449 -0.449
943 HE2 TYR 122 HE2 TYR 122 9.851 -3.355 -3.355
944 HH TYR 122 HH TYR 122 10.918 -2.871 -2.871
945 H GLN 123 HN GLN 123 13.945 -3.238 -3.238
946 HA GLN 123 HA GLN 123 13.215 -5.784 -5.784
947 1HB GLN 123 HB2 GLN 123 11.248 -5.486 -5.486
948 2HB GLN 123 HB3 GLN 123 12.222 -4.811 -4.811
949 1HG GLN 123 HG2 GLN 123 13.418 -7.323 -7.323
950 2HG GLN 123 HG3 GLN 123 11.689 -7.610 -7.610
951 1HE2 GLN 123 HE22 GLN 123 11.209 -7.137 -7.137
952 2HE2 GLN 123 HE21 GLN 123 10.493 -7.261 -7.261
953 H MET 124 HN MET 124 15.583 -4.722 -4.722
954 HA MET 124 HA MET 124 17.133 -4.587 -4.587
955 1HB MET 124 HB2 MET 124 17.409 -4.132 -4.132
956 2HB MET 124 HB3 MET 124 18.706 -5.213 -5.213
957 1HG MET 124 HG2 MET 124 18.344 -3.025 -3.025
958 2HG MET 124 HG3 MET 124 18.671 -2.419 -2.419
959 1HE MET 124 HE2 MET 124 20.615 -1.678 -1.678
960 2HE MET 124 HE3 MET 124 22.227 -2.374 -2.374
961 3HE MET 124 HE1 MET 124 21.364 -1.535 -1.535
962 H GLY 125 HN GLY 125 15.894 -6.899 -6.899
963 1HA GLY 125 HA1 GLY 125 16.213 -9.061 -9.061
964 2HA GLY 125 HA2 GLY 125 17.932 -8.776 -8.776
965 H CYS 126 HN CYS 126 16.036 -7.980 -7.980
966 HA CYS 126 HA CYS 126 17.348 -9.927 -9.927
967 1HB CYS 126 HB2 CYS 126 16.420 -8.919 -8.919
968 2HB CYS 126 HB3 CYS 126 16.315 -7.615 -7.615
969 H GLU 127 HN GLU 127 15.280 -10.947 -10.947
970 HA GLU 127 HA GLU 127 13.139 -12.031 -12.031
971 1HB GLU 127 HB2 GLU 127 14.835 -13.259 -13.259
972 2HB GLU 127 HB3 GLU 127 15.525 -13.929 -13.929
973 1HG GLU 127 HG2 GLU 127 12.944 -14.683 -14.683
974 2HG GLU 127 HG3 GLU 127 12.931 -14.602 -14.602
Start of MODEL 14
1 H CYS 1 HN CYS 1 -9.538 -12.999 -12.999
2 HA CYS 1 HA CYS 1 -8.917 -10.911 -10.911
3 1HB CYS 1 HB2 CYS 1 -11.429 -10.573 -10.573
4 2HB CYS 1 HB3 CYS 1 -10.339 -9.432 -9.432
5 H SER 2 HN SER 2 -9.500 -11.750 -11.750
6 HA SER 2 HA SER 2 -7.457 -10.127 -10.127
7 1HB SER 2 HB2 SER 2 -9.262 -12.233 -12.233
8 2HB SER 2 HB3 SER 2 -7.717 -12.192 -12.192
9 HG SER 2 HG SER 2 -8.746 -10.656 -10.656
10 H CYS 3 HN CYS 3 -5.950 -10.899 -10.899
11 HA CYS 3 HA CYS 3 -4.800 -13.441 -13.441
12 1HB CYS 3 HB2 CYS 3 -3.284 -11.087 -11.087
13 2HB CYS 3 HB3 CYS 3 -3.345 -12.734 -12.734
14 H SER 4 HN SER 4 -1.949 -12.690 -12.690
15 HA SER 4 HA SER 4 -1.592 -11.650 -11.650
16 1HB SER 4 HB2 SER 4 -0.248 -13.503 -13.503
17 2HB SER 4 HB3 SER 4 -1.735 -14.182 -14.182
18 HG SER 4 HG SER 4 -0.454 -14.383 -14.383
19 HA PRO 5 HA PRO 5 1.554 -9.788 -9.788
20 1HB PRO 5 HB2 PRO 5 2.214 -7.792 -7.792
21 2HB PRO 5 HB3 PRO 5 0.909 -7.655 -7.655
22 1HG PRO 5 HG2 PRO 5 0.751 -8.095 -8.095
23 2HG PRO 5 HG3 PRO 5 -0.498 -7.540 -7.540
24 1HD PRO 5 HD2 PRO 5 -0.242 -10.168 -10.168
25 2HD PRO 5 HD3 PRO 5 -1.422 -9.645 -9.645
26 H VAL 6 HN VAL 6 2.602 -11.957 -11.957
27 HA VAL 6 HA VAL 6 4.523 -11.904 -11.904
28 HB VAL 6 HB VAL 6 3.253 -13.924 -13.924
29 1HG1 VAL 6 HG11 VAL 6 4.365 -13.201 -13.201
30 2HG1 VAL 6 HG12 VAL 6 4.882 -14.845 -14.845
31 3HG1 VAL 6 HG13 VAL 6 3.150 -14.440 -14.440
32 1HG2 VAL 6 HG22 VAL 6 6.134 -13.700 -13.700
33 2HG2 VAL 6 HG23 VAL 6 4.929 -14.792 -14.792
34 3HG2 VAL 6 HG21 VAL 6 5.684 -15.206 -15.206
35 H HIS 7 HN HIS 7 6.231 -13.491 -13.491
36 HA HIS 7 HA HIS 7 8.268 -12.912 -12.912
37 1HB HIS 7 HB2 HIS 7 7.769 -11.312 -11.312
38 2HB HIS 7 HB3 HIS 7 7.485 -13.041 -13.041
39 HD1 HIS 7 HD1 HIS 7 5.241 -13.654 -13.654
40 HD2 HIS 7 HD2 HIS 7 5.208 -9.910 -9.910
41 HE1 HIS 7 HE1 HIS 7 2.860 -12.765 -12.765
42 HA PRO 8 HA PRO 8 8.966 -9.028 -9.028
43 1HB PRO 8 HB2 PRO 8 11.280 -9.759 -9.759
44 2HB PRO 8 HB3 PRO 8 9.695 -9.949 -9.949
45 1HG PRO 8 HG2 PRO 8 11.459 -12.013 -12.013
46 2HG PRO 8 HG3 PRO 8 10.099 -12.219 -12.219
47 1HD PRO 8 HD2 PRO 8 10.127 -12.715 -12.715
48 2HD PRO 8 HD3 PRO 8 8.740 -12.810 -12.810
49 H GLN 9 HN GLN 9 10.163 -10.472 -10.472
50 HA GLN 9 HA GLN 9 11.837 -8.161 -8.161
51 1HB GLN 9 HB2 GLN 9 13.514 -9.743 -9.743
52 2HB GLN 9 HB3 GLN 9 12.710 -11.057 -11.057
53 1HG GLN 9 HG2 GLN 9 14.697 -10.235 -10.235
54 2HG GLN 9 HG3 GLN 9 13.218 -10.059 -10.059
55 1HE2 GLN 9 HE22 GLN 9 14.557 -6.619 -6.619
56 2HE2 GLN 9 HE21 GLN 9 14.427 -8.131 -8.131
57 H GLN 10 HN GLN 10 10.111 -11.073 -11.073
58 HA GLN 10 HA GLN 10 10.279 -10.339 -10.339
59 1HB GLN 10 HB2 GLN 10 7.965 -11.974 -11.974
60 2HB GLN 10 HB3 GLN 10 8.960 -12.222 -12.222
61 1HG GLN 10 HG2 GLN 10 10.896 -12.588 -12.588
62 2HG GLN 10 HG3 GLN 10 9.545 -12.944 -12.944
63 1HE2 GLN 10 HE22 GLN 10 10.512 -15.391 -15.391
64 2HE2 GLN 10 HE21 GLN 10 11.064 -13.753 -13.753
65 H ALA 11 HN ALA 11 8.714 -8.818 -8.818
66 HA ALA 11 HA ALA 11 6.325 -8.083 -8.083
67 1HB ALA 11 HB1 ALA 11 7.385 -7.930 -7.930
68 2HB ALA 11 HB2 ALA 11 6.535 -6.450 -6.450
69 3HB ALA 11 HB3 ALA 11 5.701 -8.022 -8.022
70 H PHE 12 HN PHE 12 9.547 -6.755 -6.755
71 HA PHE 12 HA PHE 12 8.859 -4.201 -4.201
72 1HB PHE 12 HB2 PHE 12 11.403 -5.497 -5.497
73 2HB PHE 12 HB3 PHE 12 11.352 -3.831 -3.831
74 HD1 PHE 12 HD1 PHE 12 8.980 -5.867 -5.867
75 HD2 PHE 12 HD2 PHE 12 11.482 -2.446 -2.446
76 HE1 PHE 12 HE1 PHE 12 8.196 -5.150 -5.150
77 HE2 PHE 12 HE2 PHE 12 10.699 -1.730 -1.730
78 HZ PHE 12 HZ PHE 12 9.065 -3.091 -3.091
79 H CYS 13 HN CYS 13 9.698 -7.230 -7.230
80 HA CYS 13 HA CYS 13 11.308 -6.086 -6.086
81 1HB CYS 13 HB2 CYS 13 11.028 -8.812 -8.812
82 2HB CYS 13 HB3 CYS 13 11.380 -8.698 -8.698
83 H ASN 14 HN ASN 14 8.125 -7.096 -7.096
84 HA ASN 14 HA ASN 14 7.379 -7.732 -7.732
85 1HB ASN 14 HB2 ASN 14 6.402 -8.403 -8.403
86 2HB ASN 14 HB3 ASN 14 5.116 -7.531 -7.531
87 1HD2 ASN 14 HD22 ASN 14 6.088 -11.351 -11.351
88 2HD2 ASN 14 HD21 ASN 14 6.832 -10.444 -10.444
89 H ALA 15 HN ALA 15 6.872 -5.306 -5.306
90 HA ALA 15 HA ALA 15 4.866 -3.801 -3.801
91 1HB ALA 15 HB3 ALA 15 7.212 -3.035 -3.035
92 2HB ALA 15 HB1 ALA 15 5.841 -1.956 -1.956
93 3HB ALA 15 HB2 ALA 15 5.567 -3.484 -3.484
94 H ASP 16 HN ASP 16 5.313 -1.374 -1.374
95 HA ASP 16 HA ASP 16 7.644 -1.203 -1.203
96 1HB ASP 16 HB2 ASP 16 4.867 -1.634 -1.634
97 2HB ASP 16 HB3 ASP 16 5.803 -0.396 -0.396
98 H VAL 17 HN VAL 17 6.022 0.086 0.086
99 HA VAL 17 HA VAL 17 6.579 2.771 2.771
100 HB VAL 17 HB VAL 17 4.539 2.620 2.620
101 1HG1 VAL 17 HG13 VAL 17 3.504 1.263 1.263
102 2HG1 VAL 17 HG11 VAL 17 2.375 2.211 2.211
103 3HG1 VAL 17 HG12 VAL 17 3.271 0.851 0.851
104 1HG2 VAL 17 HG21 VAL 17 5.065 4.640 4.640
105 2HG2 VAL 17 HG22 VAL 17 3.412 4.490 4.490
106 3HG2 VAL 17 HG23 VAL 17 3.755 4.032 4.032
107 H VAL 18 HN VAL 18 7.897 2.307 2.307
108 HA VAL 18 HA VAL 18 6.380 1.908 1.908
109 HB VAL 18 HB VAL 18 9.327 2.185 2.185
110 1HG1 VAL 18 HG13 VAL 18 7.192 0.840 0.840
111 2HG1 VAL 18 HG11 VAL 18 8.595 -0.213 -0.213
112 3HG1 VAL 18 HG12 VAL 18 8.816 1.346 1.346
113 1HG2 VAL 18 HG21 VAL 18 7.926 0.266 0.266
114 2HG2 VAL 18 HG22 VAL 18 9.587 0.900 0.900
115 3HG2 VAL 18 HG23 VAL 18 9.188 -0.425 -0.425
116 H ILE 19 HN ILE 19 5.721 3.628 3.628
117 HA ILE 19 HA ILE 19 7.459 5.948 5.948
118 HB ILE 19 HB ILE 19 5.783 7.514 7.514
119 1HG1 ILE 19 HG12 ILE 19 3.955 5.166 5.166
120 2HG1 ILE 19 HG13 ILE 19 3.718 6.817 6.817
121 1HG2 ILE 19 HG23 ILE 19 7.149 6.304 6.304
122 2HG2 ILE 19 HG21 ILE 19 5.662 5.397 5.397
123 3HG2 ILE 19 HG22 ILE 19 5.690 7.168 7.168
124 1HD1 ILE 19 HD13 ILE 19 3.718 7.455 7.455
125 2HD1 ILE 19 HD11 ILE 19 3.508 5.712 5.712
126 3HD1 ILE 19 HD12 ILE 19 2.288 6.609 6.609
127 H ARG 20 HN ARG 20 7.617 6.641 6.641
128 HA ARG 20 HA ARG 20 6.038 5.301 5.301
129 1HB ARG 20 HB2 ARG 20 8.483 5.949 5.949
130 2HB ARG 20 HB3 ARG 20 7.989 7.627 7.627
131 1HG ARG 20 HG2 ARG 20 6.482 6.998 6.998
132 2HG ARG 20 HG3 ARG 20 7.167 5.385 5.385
133 1HD ARG 20 HD2 ARG 20 8.294 6.884 6.884
134 2HD ARG 20 HD3 ARG 20 9.404 6.235 6.235
135 HE ARG 20 HE ARG 20 9.007 8.491 8.491
136 1HH1 ARG 20 HH22 ARG 20 8.875 8.127 8.127
137 2HH1 ARG 20 HH21 ARG 20 9.326 9.769 9.769
138 1HH2 ARG 20 HH12 ARG 20 9.601 10.658 10.658
139 2HH2 ARG 20 HH11 ARG 20 9.742 11.218 11.218
140 H THR 21 HN THR 21 4.322 6.774 6.774
141 HA THR 21 HA THR 21 3.761 9.367 9.367
142 HB THR 21 HB THR 21 3.076 8.598 8.598
143 HG1 THR 21 HG1 THR 21 1.283 9.827 9.827
144 1HG2 THR 21 HG22 THR 21 2.623 6.144 6.144
145 2HG2 THR 21 HG23 THR 21 1.027 6.779 6.779
146 3HG2 THR 21 HG21 THR 21 1.533 6.818 6.818
147 H LYS 22 HN LYS 22 1.615 9.993 9.993
148 HA LYS 22 HA LYS 22 1.019 8.075 8.075
149 1HB LYS 22 HB2 LYS 22 0.722 9.958 9.958
150 2HB LYS 22 HB3 LYS 22 2.340 9.957 9.957
151 1HG LYS 22 HG2 LYS 22 1.770 11.720 11.720
152 2HG LYS 22 HG3 LYS 22 0.067 11.605 11.605
153 1HD LYS 22 HD2 LYS 22 2.322 12.707 12.707
154 2HD LYS 22 HD3 LYS 22 0.846 13.509 13.509
155 1HE LYS 22 HE2 LYS 22 -0.361 11.591 11.591
156 2HE LYS 22 HE3 LYS 22 1.207 11.373 11.373
157 1HZ LYS 22 HZ2 LYS 22 1.112 13.857 13.857
158 2HZ LYS 22 HZ3 LYS 22 -0.481 13.758 13.758
159 3HZ LYS 22 HZ1 LYS 22 0.134 12.931 12.931
160 H ALA 23 HN ALA 23 -1.037 7.348 7.348
161 HA ALA 23 HA ALA 23 -2.949 8.783 8.783
162 1HB ALA 23 HB1 ALA 23 -2.587 6.378 6.378
163 2HB ALA 23 HB2 ALA 23 -3.028 6.020 6.020
164 3HB ALA 23 HB3 ALA 23 -4.244 6.684 6.684
165 H VAL 24 HN VAL 24 -3.894 10.445 10.445
166 HA VAL 24 HA VAL 24 -4.765 9.838 9.838
167 HB VAL 24 HB VAL 24 -4.951 12.378 12.378
168 1HG1 VAL 24 HG13 VAL 24 -2.539 10.672 10.672
169 2HG1 VAL 24 HG11 VAL 24 -2.221 12.419 12.419
170 3HG1 VAL 24 HG12 VAL 24 -3.194 11.778 11.778
171 1HG2 VAL 24 HG22 VAL 24 -4.772 12.570 12.570
172 2HG2 VAL 24 HG23 VAL 24 -3.842 13.728 13.728
173 3HG2 VAL 24 HG21 VAL 24 -3.022 12.337 12.337
174 H SER 25 HN SER 25 -5.728 11.034 11.034
175 HA SER 25 HA SER 25 -8.484 10.920 10.920
176 1HB SER 25 HB2 SER 25 -8.152 13.129 13.129
177 2HB SER 25 HB3 SER 25 -7.096 12.638 12.638
178 HG SER 25 HG SER 25 -9.025 11.620 11.620
179 H GLU 26 HN GLU 26 -10.102 10.114 10.114
180 HA GLU 26 HA GLU 26 -8.903 8.491 8.491
181 1HB GLU 26 HB2 GLU 26 -10.536 7.399 7.399
182 2HB GLU 26 HB3 GLU 26 -10.484 6.562 6.562
183 1HG GLU 26 HG2 GLU 26 -8.560 5.585 5.585
184 2HG GLU 26 HG3 GLU 26 -7.782 7.142 7.142
185 H LYS 27 HN LYS 27 -11.089 7.165 7.165
186 HA LYS 27 HA LYS 27 -13.348 8.954 8.954
187 1HB LYS 27 HB2 LYS 27 -11.898 10.054 10.054
188 2HB LYS 27 HB3 LYS 27 -11.621 8.547 8.547
189 1HG LYS 27 HG2 LYS 27 -13.794 8.483 8.483
190 2HG LYS 27 HG3 LYS 27 -14.475 9.453 9.453
191 1HD LYS 27 HD2 LYS 27 -14.169 10.575 10.575
192 2HD LYS 27 HD3 LYS 27 -13.683 11.485 11.485
193 1HE LYS 27 HE2 LYS 27 -11.330 10.901 10.901
194 2HE LYS 27 HE3 LYS 27 -11.741 9.766 9.766
195 1HZ LYS 27 HZ3 LYS 27 -12.746 11.758 11.758
196 2HZ LYS 27 HZ1 LYS 27 -11.934 12.682 12.682
197 3HZ LYS 27 HZ2 LYS 27 -11.116 11.694 11.694
198 H GLU 28 HN GLU 28 -15.025 7.592 7.592
199 HA GLU 28 HA GLU 28 -14.702 4.850 4.850
200 1HB GLU 28 HB2 GLU 28 -16.020 5.438 5.438
201 2HB GLU 28 HB3 GLU 28 -17.036 6.521 6.521
202 1HG GLU 28 HG2 GLU 28 -17.217 3.997 3.997
203 2HG GLU 28 HG3 GLU 28 -17.312 3.643 3.643
204 H VAL 29 HN VAL 29 -14.473 4.458 4.458
205 HA VAL 29 HA VAL 29 -16.555 5.572 5.572
206 HB VAL 29 HB VAL 29 -14.961 4.761 4.761
207 1HG1 VAL 29 HG11 VAL 29 -15.130 7.139 7.139
208 2HG1 VAL 29 HG12 VAL 29 -13.395 6.760 6.760
209 3HG1 VAL 29 HG13 VAL 29 -14.175 6.867 6.867
210 1HG2 VAL 29 HG21 VAL 29 -13.716 3.267 3.267
211 2HG2 VAL 29 HG22 VAL 29 -12.758 4.152 4.152
212 3HG2 VAL 29 HG23 VAL 29 -12.864 4.761 4.761
213 H ASP 30 HN ASP 30 -18.165 4.052 4.052
214 HA ASP 30 HA ASP 30 -17.985 1.420 1.420
215 1HB ASP 30 HB2 ASP 30 -20.315 2.681 2.681
216 2HB ASP 30 HB3 ASP 30 -20.365 1.306 1.306
217 H SER 31 HN SER 31 -18.044 -0.428 -0.428
218 HA SER 31 HA SER 31 -17.973 0.233 0.233
219 1HB SER 31 HB2 SER 31 -15.742 -0.311 -0.311
220 2HB SER 31 HB3 SER 31 -16.027 -1.304 -1.304
221 HG SER 31 HG SER 31 -17.012 -2.194 -2.194
222 H GLY 32 HN GLY 32 -20.242 -0.599 -0.599
223 1HA GLY 32 HA1 GLY 32 -21.966 -2.040 -2.040
224 2HA GLY 32 HA2 GLY 32 -21.353 -2.596 -2.596
225 H ASN 33 HN ASN 33 -22.322 -4.693 -4.693
226 HA ASN 33 HA ASN 33 -20.725 -5.872 -5.872
227 1HB ASN 33 HB2 ASN 33 -22.748 -7.328 -7.328
228 2HB ASN 33 HB3 ASN 33 -22.292 -7.707 -7.707
229 1HD2 ASN 33 HD22 ASN 33 -25.627 -5.871 -5.871
230 2HD2 ASN 33 HD21 ASN 33 -24.905 -7.167 -7.167
231 H ASP 34 HN ASP 34 -19.842 -8.223 -8.223
232 HA ASP 34 HA ASP 34 -18.386 -8.061 -8.061
233 1HB ASP 34 HB2 ASP 34 -17.487 -8.615 -8.615
234 2HB ASP 34 HB3 ASP 34 -17.997 -10.242 -10.242
235 H ILE 35 HN ILE 35 -17.815 -10.933 -10.933
236 HA ILE 35 HA ILE 35 -20.265 -11.769 -11.769
237 HB ILE 35 HB ILE 35 -17.561 -13.096 -13.096
238 1HG1 ILE 35 HG12 ILE 35 -17.430 -12.352 -12.352
239 2HG1 ILE 35 HG13 ILE 35 -18.783 -11.292 -11.292
240 1HG2 ILE 35 HG23 ILE 35 -20.113 -13.880 -13.880
241 2HG2 ILE 35 HG21 ILE 35 -18.565 -14.246 -14.246
242 3HG2 ILE 35 HG22 ILE 35 -18.898 -14.882 -14.882
243 1HD1 ILE 35 HD13 ILE 35 -16.383 -11.242 -11.242
244 2HD1 ILE 35 HD11 ILE 35 -16.314 -10.393 -10.393
245 3HD1 ILE 35 HD12 ILE 35 -17.549 -9.947 -9.947
246 H TYR 36 HN TYR 36 -19.288 -11.692 -11.692
247 HA TYR 36 HA TYR 36 -20.444 -14.326 -14.326
248 1HB TYR 36 HB2 TYR 36 -18.069 -13.201 -13.201
249 2HB TYR 36 HB3 TYR 36 -19.088 -12.437 -12.437
250 HD1 TYR 36 HD1 TYR 36 -18.539 -15.873 -15.873
251 HD2 TYR 36 HD2 TYR 36 -19.248 -13.490 -13.490
252 HE1 TYR 36 HE1 TYR 36 -18.383 -17.947 -17.947
253 HE2 TYR 36 HE2 TYR 36 -19.089 -15.573 -15.573
254 HH TYR 36 HH TYR 36 -17.895 -17.851 -17.851
255 H GLY 37 HN GLY 37 -21.370 -11.144 -11.144
256 1HA GLY 37 HA1 GLY 37 -23.439 -10.292 -10.292
257 2HA GLY 37 HA2 GLY 37 -23.670 -11.530 -11.530
258 H ASN 38 HN ASN 38 -20.612 -10.624 -10.624
259 HA ASN 38 HA ASN 38 -21.481 -9.027 -9.027
260 1HB ASN 38 HB2 ASN 38 -18.906 -8.879 -8.879
261 2HB ASN 38 HB3 ASN 38 -19.632 -10.472 -10.472
262 1HD2 ASN 38 HD22 ASN 38 -16.560 -10.705 -10.705
263 2HD2 ASN 38 HD21 ASN 38 -16.990 -10.265 -10.265
264 HA PRO 39 HA PRO 39 -20.624 -5.139 -5.139
265 1HB PRO 39 HB2 PRO 39 -20.099 -3.578 -3.578
266 2HB PRO 39 HB3 PRO 39 -21.722 -4.001 -4.001
267 1HG PRO 39 HG2 PRO 39 -20.154 -5.062 -5.062
268 2HG PRO 39 HG3 PRO 39 -21.884 -5.144 -5.144
269 1HD PRO 39 HD2 PRO 39 -19.985 -7.263 -7.263
270 2HD PRO 39 HD3 PRO 39 -21.695 -7.308 -7.308
271 H ILE 40 HN ILE 40 -19.037 -4.314 -4.314
272 HA ILE 40 HA ILE 40 -16.402 -5.173 -5.173
273 HB ILE 40 HB ILE 40 -17.480 -3.331 -3.331
274 1HG1 ILE 40 HG12 ILE 40 -16.799 -6.280 -6.280
275 2HG1 ILE 40 HG13 ILE 40 -18.364 -5.545 -5.545
276 1HG2 ILE 40 HG23 ILE 40 -14.709 -4.511 -4.511
277 2HG2 ILE 40 HG21 ILE 40 -15.310 -3.694 -3.694
278 3HG2 ILE 40 HG22 ILE 40 -15.160 -2.789 -2.789
279 1HD1 ILE 40 HD13 ILE 40 -17.111 -4.298 -4.298
280 2HD1 ILE 40 HD11 ILE 40 -15.945 -5.632 -5.632
281 3HD1 ILE 40 HD12 ILE 40 -17.649 -5.981 -5.981
282 H LYS 41 HN LYS 41 -16.889 -1.829 -1.829
283 HA LYS 41 HA LYS 41 -16.422 0.123 0.123
284 1HB LYS 41 HB2 LYS 41 -17.846 -0.752 -0.752
285 2HB LYS 41 HB3 LYS 41 -16.365 -1.233 -1.233
286 1HG LYS 41 HG2 LYS 41 -15.542 1.154 1.154
287 2HG LYS 41 HG3 LYS 41 -17.083 1.605 1.605
288 1HD LYS 41 HD2 LYS 41 -17.236 0.080 0.080
289 2HD LYS 41 HD3 LYS 41 -16.548 1.687 1.687
290 1HE LYS 41 HE2 LYS 41 -18.639 2.421 2.421
291 2HE LYS 41 HE3 LYS 41 -19.323 0.889 0.889
292 1HZ LYS 41 HZ1 LYS 41 -18.134 2.456 2.456
293 2HZ LYS 41 HZ2 LYS 41 -19.478 3.099 3.099
294 3HZ LYS 41 HZ3 LYS 41 -19.530 1.609 1.609
295 H ARG 42 HN ARG 42 -14.484 1.000 1.000
296 HA ARG 42 HA ARG 42 -12.179 -0.373 -0.373
297 1HB ARG 42 HB2 ARG 42 -11.192 0.995 0.995
298 2HB ARG 42 HB3 ARG 42 -11.553 -0.719 -0.719
299 1HG ARG 42 HG2 ARG 42 -13.962 -0.131 -0.131
300 2HG ARG 42 HG3 ARG 42 -13.415 1.514 1.514
301 1HD ARG 42 HD2 ARG 42 -11.587 0.454 0.454
302 2HD ARG 42 HD3 ARG 42 -12.570 -0.996 -0.996
303 HE ARG 42 HE ARG 42 -14.376 1.043 1.043
304 1HH1 ARG 42 HH22 ARG 42 -11.407 -0.202 -0.202
305 2HH1 ARG 42 HH21 ARG 42 -11.850 0.229 0.229
306 1HH2 ARG 42 HH12 ARG 42 -14.962 1.611 1.611
307 2HH2 ARG 42 HH11 ARG 42 -13.885 1.266 1.266
308 H ILE 43 HN ILE 43 -12.770 1.285 1.285
309 HA ILE 43 HA ILE 43 -12.804 3.943 3.943
310 HB ILE 43 HB ILE 43 -11.917 1.982 1.982
311 1HG1 ILE 43 HG12 ILE 43 -13.321 3.309 3.309
312 2HG1 ILE 43 HG13 ILE 43 -13.396 4.610 4.610
313 1HG2 ILE 43 HG22 ILE 43 -10.647 4.712 4.712
314 2HG2 ILE 43 HG23 ILE 43 -10.952 3.863 3.863
315 3HG2 ILE 43 HG21 ILE 43 -9.901 3.125 3.125
316 1HD1 ILE 43 HD11 ILE 43 -14.410 2.916 2.916
317 2HD1 ILE 43 HD12 ILE 43 -14.567 1.813 1.813
318 3HD1 ILE 43 HD13 ILE 43 -15.433 3.367 3.367
319 H GLN 44 HN GLN 44 -11.316 5.700 5.700
320 HA GLN 44 HA GLN 44 -8.995 5.014 5.014
321 1HB GLN 44 HB2 GLN 44 -10.319 7.661 7.661
322 2HB GLN 44 HB3 GLN 44 -8.823 7.570 7.570
323 1HG GLN 44 HG2 GLN 44 -11.574 6.576 6.576
324 2HG GLN 44 HG3 GLN 44 -10.522 7.683 7.683
325 1HE2 GLN 44 HE22 GLN 44 -10.054 3.591 3.591
326 2HE2 GLN 44 HE21 GLN 44 -11.033 4.352 4.352
327 H TYR 45 HN TYR 45 -7.060 6.808 6.808
328 HA TYR 45 HA TYR 45 -6.641 6.734 6.734
329 1HB TYR 45 HB2 TYR 45 -5.222 5.371 5.371
330 2HB TYR 45 HB3 TYR 45 -4.143 6.225 6.225
331 HD1 TYR 45 HD2 TYR 45 -5.882 5.731 5.731
332 HD2 TYR 45 HD1 TYR 45 -4.432 3.161 3.161
333 HE1 TYR 45 HE2 TYR 45 -5.938 3.756 3.756
334 HE2 TYR 45 HE1 TYR 45 -4.492 1.196 1.196
335 HH TYR 45 HH TYR 45 -5.087 1.667 1.667
336 H GLU 46 HN GLU 46 -7.367 9.070 9.070
337 HA GLU 46 HA GLU 46 -5.688 10.660 10.660
338 1HB GLU 46 HB2 GLU 46 -8.108 11.037 11.037
339 2HB GLU 46 HB3 GLU 46 -7.183 11.808 11.808
340 1HG GLU 46 HG2 GLU 46 -6.159 13.366 13.366
341 2HG GLU 46 HG3 GLU 46 -6.859 12.512 12.512
342 H ILE 47 HN ILE 47 -3.597 9.620 9.620
343 HA ILE 47 HA ILE 47 -2.763 10.251 10.251
344 HB ILE 47 HB ILE 47 -0.553 9.569 9.569
345 1HG1 ILE 47 HG12 ILE 47 -1.880 9.763 9.763
346 2HG1 ILE 47 HG13 ILE 47 -0.342 10.418 10.418
347 1HG2 ILE 47 HG21 ILE 47 -2.917 8.019 8.019
348 2HG2 ILE 47 HG22 ILE 47 -1.959 7.402 7.402
349 3HG2 ILE 47 HG23 ILE 47 -1.235 7.496 7.496
350 1HD1 ILE 47 HD11 ILE 47 -0.225 7.574 7.574
351 2HD1 ILE 47 HD12 ILE 47 -0.866 7.873 7.873
352 3HD1 ILE 47 HD13 ILE 47 0.703 8.563 8.563
353 H LYS 48 HN LYS 48 -0.365 11.491 11.491
354 HA LYS 48 HA LYS 48 -0.973 14.108 14.108
355 1HB LYS 48 HB2 LYS 48 -1.171 13.778 13.778
356 2HB LYS 48 HB3 LYS 48 0.581 13.768 13.768
357 1HG LYS 48 HG2 LYS 48 -0.087 15.955 15.955
358 2HG LYS 48 HG3 LYS 48 -1.277 16.027 16.027
359 1HD LYS 48 HD2 LYS 48 0.881 17.296 17.296
360 2HD LYS 48 HD3 LYS 48 0.420 16.145 16.145
361 1HE LYS 48 HE2 LYS 48 2.269 14.845 14.845
362 2HE LYS 48 HE3 LYS 48 2.092 14.909 14.909
363 1HZ LYS 48 HZ1 LYS 48 2.831 17.431 17.431
364 2HZ LYS 48 HZ2 LYS 48 3.838 16.357 16.357
365 3HZ LYS 48 HZ3 LYS 48 3.695 16.392 16.392
366 H GLN 49 HN GLN 49 0.967 11.380 11.380
367 HA GLN 49 HA GLN 49 2.924 10.927 10.927
368 1HB GLN 49 HB2 GLN 49 2.307 13.509 13.509
369 2HB GLN 49 HB3 GLN 49 3.791 12.635 12.635
370 1HG GLN 49 HG2 GLN 49 1.099 11.221 11.221
371 2HG GLN 49 HG3 GLN 49 1.691 12.095 12.095
372 1HE2 GLN 49 HE22 GLN 49 4.700 9.978 9.978
373 2HE2 GLN 49 HE21 GLN 49 4.314 11.656 11.656
374 H ILE 50 HN ILE 50 4.671 10.849 10.849
375 HA ILE 50 HA ILE 50 5.789 13.431 13.431
376 HB ILE 50 HB ILE 50 5.907 12.771 12.771
377 1HG1 ILE 50 HG12 ILE 50 6.736 10.116 10.116
378 2HG1 ILE 50 HG13 ILE 50 7.612 11.204 11.204
379 1HG2 ILE 50 HG21 ILE 50 3.541 12.288 12.288
380 2HG2 ILE 50 HG22 ILE 50 3.987 10.566 10.566
381 3HG2 ILE 50 HG23 ILE 50 4.048 11.516 11.516
382 1HD1 ILE 50 HD11 ILE 50 5.147 9.582 9.582
383 2HD1 ILE 50 HD12 ILE 50 6.827 9.207 9.207
384 3HD1 ILE 50 HD13 ILE 50 6.046 10.679 10.679
385 H LYS 51 HN LYS 51 6.323 10.104 10.104
386 HA LYS 51 HA LYS 51 8.932 10.969 10.969
387 1HB LYS 51 HB2 LYS 51 8.799 9.578 9.578
388 2HB LYS 51 HB3 LYS 51 8.996 8.280 8.280
389 1HG LYS 51 HG2 LYS 51 11.047 9.199 9.199
390 2HG LYS 51 HG3 LYS 51 10.755 10.759 10.759
391 1HD LYS 51 HD2 LYS 51 10.701 9.048 9.048
392 2HD LYS 51 HD3 LYS 51 11.914 8.297 8.297
393 1HE LYS 51 HE2 LYS 51 12.982 10.640 10.640
394 2HE LYS 51 HE3 LYS 51 11.896 11.166 11.166
395 1HZ LYS 51 HZ1 LYS 51 13.656 8.843 8.843
396 2HZ LYS 51 HZ2 LYS 51 14.127 10.358 10.358
397 3HZ LYS 51 HZ3 LYS 51 12.866 9.672 9.672
398 H MET 52 HN MET 52 9.834 9.330 9.330
399 HA MET 52 HA MET 52 7.750 7.669 7.669
400 1HB MET 52 HB2 MET 52 8.075 8.643 8.643
401 2HB MET 52 HB3 MET 52 7.624 9.919 9.919
402 1HG MET 52 HG2 MET 52 10.489 9.700 9.700
403 2HG MET 52 HG3 MET 52 10.041 9.679 9.679
404 1HE MET 52 HE1 MET 52 11.259 11.565 11.565
405 2HE MET 52 HE2 MET 52 10.682 13.242 13.242
406 3HE MET 52 HE3 MET 52 11.653 12.502 12.502
407 H PHE 53 HN PHE 53 9.406 6.184 6.184
408 HA PHE 53 HA PHE 53 11.972 5.840 5.840
409 1HB PHE 53 HB2 PHE 53 9.569 4.078 4.078
410 2HB PHE 53 HB3 PHE 53 10.959 3.244 3.244
411 HD1 PHE 53 HD2 PHE 53 13.230 4.388 4.388
412 HD2 PHE 53 HD1 PHE 53 9.371 3.547 3.547
413 HE1 PHE 53 HE2 PHE 53 14.203 4.177 4.177
414 HE2 PHE 53 HE1 PHE 53 10.344 3.336 3.336
415 HZ PHE 53 HZ PHE 53 12.748 3.653 3.653
416 H LYS 54 HN LYS 54 9.725 3.719 3.719
417 HA LYS 54 HA LYS 54 11.264 4.415 4.415
418 1HB LYS 54 HB2 LYS 54 11.479 2.013 2.013
419 2HB LYS 54 HB3 LYS 54 10.279 1.648 1.648
420 1HG LYS 54 HG2 LYS 54 12.590 1.230 1.230
421 2HG LYS 54 HG3 LYS 54 11.774 2.454 2.454
422 1HD LYS 54 HD2 LYS 54 13.139 3.712 3.712
423 2HD LYS 54 HD3 LYS 54 14.265 2.696 2.696
424 1HE LYS 54 HE2 LYS 54 13.895 3.868 3.868
425 2HE LYS 54 HE3 LYS 54 12.428 4.624 4.624
426 1HZ LYS 54 HZ1 LYS 54 15.058 5.128 5.128
427 2HZ LYS 54 HZ2 LYS 54 14.441 6.044 6.044
428 3HZ LYS 54 HZ3 LYS 54 13.680 5.970 5.970
429 H GLY 55 HN GLY 55 9.428 5.991 5.991
430 1HA GLY 55 HA1 GLY 55 7.032 4.623 4.623
431 2HA GLY 55 HA2 GLY 55 6.975 6.128 6.128
432 HA PRO 56 HA PRO 56 7.308 7.275 7.275
433 1HB PRO 56 HB2 PRO 56 5.181 8.987 8.987
434 2HB PRO 56 HB3 PRO 56 5.067 7.297 7.297
435 1HG PRO 56 HG2 PRO 56 4.115 8.634 8.634
436 2HG PRO 56 HG3 PRO 56 3.651 7.075 7.075
437 1HD PRO 56 HD2 PRO 56 5.419 7.555 7.555
438 2HD PRO 56 HD3 PRO 56 5.046 6.004 6.004
439 H GLU 57 HN GLU 57 7.056 9.740 9.740
440 HA GLU 57 HA GLU 57 8.979 11.081 11.081
441 1HB GLU 57 HB2 GLU 57 8.114 12.190 12.190
442 2HB GLU 57 HB3 GLU 57 9.702 12.196 12.196
443 1HG GLU 57 HG2 GLU 57 9.711 9.630 9.630
444 2HG GLU 57 HG3 GLU 57 8.286 9.838 9.838
445 H LYS 58 HN LYS 58 5.651 11.368 11.368
446 HA LYS 58 HA LYS 58 5.342 14.078 14.078
447 1HB LYS 58 HB2 LYS 58 4.075 12.620 12.620
448 2HB LYS 58 HB3 LYS 58 3.026 12.232 12.232
449 1HG LYS 58 HG2 LYS 58 1.956 14.192 14.192
450 2HG LYS 58 HG3 LYS 58 3.344 14.992 14.992
451 1HD LYS 58 HD2 LYS 58 3.191 14.234 14.234
452 2HD LYS 58 HD3 LYS 58 2.691 15.798 15.798
453 1HE LYS 58 HE2 LYS 58 5.152 15.685 15.685
454 2HE LYS 58 HE3 LYS 58 5.457 14.639 14.639
455 1HZ LYS 58 HZ2 LYS 58 4.109 16.729 16.729
456 2HZ LYS 58 HZ3 LYS 58 5.076 17.441 17.441
457 3HZ LYS 58 HZ1 LYS 58 5.726 16.507 16.507
458 H ASP 59 HN ASP 59 3.313 11.303 11.303
459 HA ASP 59 HA ASP 59 4.020 10.911 10.911
460 1HB ASP 59 HB2 ASP 59 4.136 13.270 13.270
461 2HB ASP 59 HB3 ASP 59 2.550 13.577 13.577
462 H ILE 60 HN ILE 60 2.048 10.286 10.286
463 HA ILE 60 HA ILE 60 -0.190 9.573 9.573
464 HB ILE 60 HB ILE 60 0.317 8.260 8.260
465 1HG1 ILE 60 HG12 ILE 60 2.510 8.448 8.448
466 2HG1 ILE 60 HG13 ILE 60 2.018 6.866 6.866
467 1HG2 ILE 60 HG22 ILE 60 -1.710 7.818 7.818
468 2HG2 ILE 60 HG23 ILE 60 -0.620 7.116 7.116
469 3HG2 ILE 60 HG21 ILE 60 -0.735 6.384 6.384
470 1HD1 ILE 60 HD12 ILE 60 1.409 7.918 7.918
471 2HD1 ILE 60 HD13 ILE 60 2.799 6.881 6.881
472 3HD1 ILE 60 HD11 ILE 60 1.142 6.264 6.264
473 H GLU 61 HN GLU 61 0.102 9.838 9.838
474 HA GLU 61 HA GLU 61 -0.951 11.077 11.077
475 1HB GLU 61 HB2 GLU 61 -1.020 12.784 12.784
476 2HB GLU 61 HB3 GLU 61 -2.501 12.986 12.986
477 1HG GLU 61 HG2 GLU 61 -0.694 13.000 13.000
478 2HG GLU 61 HG3 GLU 61 0.318 13.641 13.641
479 H PHE 62 HN PHE 62 -2.402 9.323 9.323
480 HA PHE 62 HA PHE 62 -4.838 9.085 9.085
481 1HB PHE 62 HB2 PHE 62 -4.454 10.192 10.192
482 2HB PHE 62 HB3 PHE 62 -5.656 8.918 8.918
483 HD1 PHE 62 HD1 PHE 62 -7.714 9.209 9.209
484 HD2 PHE 62 HD2 PHE 62 -4.859 12.332 12.332
485 HE1 PHE 62 HE1 PHE 62 -9.421 10.856 10.856
486 HE2 PHE 62 HE2 PHE 62 -6.565 13.979 13.979
487 HZ PHE 62 HZ PHE 62 -8.827 13.221 13.221
488 H ILE 63 HN ILE 63 -4.252 6.993 6.993
489 HA ILE 63 HA ILE 63 -3.688 5.081 5.081
490 HB ILE 63 HB ILE 63 -3.469 4.426 4.426
491 1HG1 ILE 63 HG12 ILE 63 -2.316 6.750 6.750
492 2HG1 ILE 63 HG13 ILE 63 -1.738 5.766 5.766
493 1HG2 ILE 63 HG23 ILE 63 -2.205 3.538 3.538
494 2HG2 ILE 63 HG21 ILE 63 -1.385 3.255 3.255
495 3HG2 ILE 63 HG22 ILE 63 -3.005 2.577 2.577
496 1HD1 ILE 63 HD11 ILE 63 -0.857 5.220 5.220
497 2HD1 ILE 63 HD12 ILE 63 -0.019 6.405 6.405
498 3HD1 ILE 63 HD13 ILE 63 -0.082 4.693 4.693
499 H TYR 64 HN TYR 64 -4.657 2.782 2.782
500 HA TYR 64 HA TYR 64 -7.454 3.201 3.201
501 1HB TYR 64 HB2 TYR 64 -6.061 1.643 1.643
502 2HB TYR 64 HB3 TYR 64 -7.684 1.206 1.206
503 HD1 TYR 64 HD1 TYR 64 -5.885 4.426 4.426
504 HD2 TYR 64 HD2 TYR 64 -9.332 1.982 1.982
505 HE1 TYR 64 HE1 TYR 64 -6.844 6.194 6.194
506 HE2 TYR 64 HE2 TYR 64 -10.279 3.759 3.759
507 HH TYR 64 HH TYR 64 -8.802 5.820 5.820
508 H THR 65 HN THR 65 -8.536 1.314 1.314
509 HA THR 65 HA THR 65 -7.162 -1.071 -1.071
510 HB THR 65 HB THR 65 -5.779 0.423 0.423
511 HG1 THR 65 HG1 THR 65 -6.555 -0.756 -0.756
512 1HG2 THR 65 HG23 THR 65 -8.524 1.228 1.228
513 2HG2 THR 65 HG21 THR 65 -7.178 1.153 1.153
514 3HG2 THR 65 HG22 THR 65 -7.080 2.241 2.241
515 H ALA 66 HN ALA 66 -8.381 -1.925 -1.925
516 HA ALA 66 HA ALA 66 -11.196 -1.716 -1.716
517 1HB ALA 66 HB3 ALA 66 -9.535 -3.924 -3.924
518 2HB ALA 66 HB1 ALA 66 -10.445 -3.878 -3.878
519 3HB ALA 66 HB2 ALA 66 -11.314 -3.952 -3.952
520 HA PRO 67 HA PRO 67 -12.014 0.187 0.187
521 1HB PRO 67 HB2 PRO 67 -14.705 -0.244 -0.244
522 2HB PRO 67 HB3 PRO 67 -14.012 1.030 1.030
523 1HG PRO 67 HG2 PRO 67 -15.197 -1.538 -1.538
524 2HG PRO 67 HG3 PRO 67 -14.895 -0.096 -0.096
525 1HD PRO 67 HD2 PRO 67 -13.351 -2.513 -2.513
526 2HD PRO 67 HD3 PRO 67 -12.985 -1.031 -1.031
527 H SER 68 HN SER 68 -13.922 -0.428 -0.428
528 HA SER 68 HA SER 68 -14.110 -1.619 -1.619
529 1HB SER 68 HB2 SER 68 -13.858 -3.700 -3.700
530 2HB SER 68 HB3 SER 68 -13.592 -4.272 -4.272
531 HG SER 68 HG SER 68 -15.666 -3.631 -3.631
532 H SER 69 HN SER 69 -12.757 -3.851 -3.851
533 HA SER 69 HA SER 69 -10.351 -2.622 -2.622
534 1HB SER 69 HB2 SER 69 -10.113 -4.402 -4.402
535 2HB SER 69 HB3 SER 69 -11.847 -4.231 -4.231
536 HG SER 69 HG SER 69 -11.601 -5.959 -5.959
537 H ALA 70 HN ALA 70 -9.949 -2.606 -2.606
538 HA ALA 70 HA ALA 70 -8.721 -3.304 -3.304
539 1HB ALA 70 HB1 ALA 70 -7.157 -3.359 -3.359
540 2HB ALA 70 HB2 ALA 70 -6.768 -4.877 -4.877
541 3HB ALA 70 HB3 ALA 70 -6.567 -3.320 -3.320
542 H VAL 71 HN VAL 71 -9.921 -4.694 -4.694
543 HA VAL 71 HA VAL 71 -10.030 -7.486 -7.486
544 HB VAL 71 HB VAL 71 -12.061 -7.620 -7.620
545 1HG1 VAL 71 HG13 VAL 71 -12.077 -5.562 -5.562
546 2HG1 VAL 71 HG11 VAL 71 -11.941 -4.590 -4.590
547 3HG1 VAL 71 HG12 VAL 71 -13.366 -5.624 -5.624
548 1HG2 VAL 71 HG22 VAL 71 -11.003 -5.826 -5.826
549 2HG2 VAL 71 HG23 VAL 71 -11.461 -7.544 -7.544
550 3HG2 VAL 71 HG21 VAL 71 -12.717 -6.297 -6.297
551 H CYS 72 HN CYS 72 -9.034 -5.270 -5.270
552 HA CYS 72 HA CYS 72 -7.472 -7.495 -7.495
553 1HB CYS 72 HB2 CYS 72 -9.593 -6.013 -6.013
554 2HB CYS 72 HB3 CYS 72 -8.070 -5.935 -5.935
555 H GLY 73 HN GLY 73 -7.119 -5.023 -5.023
556 1HA GLY 73 HA1 GLY 73 -4.708 -4.049 -4.049
557 2HA GLY 73 HA2 GLY 73 -5.948 -2.852 -2.852
558 H VAL 74 HN VAL 74 -4.250 -1.875 -1.875
559 HA VAL 74 HA VAL 74 -4.098 -3.299 -3.299
560 HB VAL 74 HB VAL 74 -2.294 -1.180 -1.180
561 1HG1 VAL 74 HG12 VAL 74 -2.239 -2.637 -2.637
562 2HG1 VAL 74 HG13 VAL 74 -0.808 -1.838 -1.838
563 3HG1 VAL 74 HG11 VAL 74 -2.256 -0.882 -0.882
564 1HG2 VAL 74 HG22 VAL 74 -2.318 -3.669 -3.669
565 2HG2 VAL 74 HG23 VAL 74 -0.782 -2.821 -2.821
566 3HG2 VAL 74 HG21 VAL 74 -1.412 -3.978 -3.978
567 H SER 75 HN SER 75 -6.031 -1.177 -1.177
568 HA SER 75 HA SER 75 -6.938 0.810 0.810
569 1HB SER 75 HB2 SER 75 -8.579 0.483 0.483
570 2HB SER 75 HB3 SER 75 -8.395 -1.005 -1.005
571 HG SER 75 HG SER 75 -8.381 -1.454 -1.454
572 H LEU 76 HN LEU 76 -5.118 2.258 2.258
573 HA LEU 76 HA LEU 76 -4.286 2.595 2.595
574 1HB LEU 76 HB2 LEU 76 -2.888 4.043 4.043
575 2HB LEU 76 HB3 LEU 76 -2.259 3.262 3.262
576 HG LEU 76 HG LEU 76 -3.126 1.113 1.113
577 1HD1 LEU 76 HD13 LEU 76 -3.079 3.234 3.234
578 2HD1 LEU 76 HD11 LEU 76 -1.543 2.378 2.378
579 3HD1 LEU 76 HD12 LEU 76 -3.086 1.497 1.497
580 1HD2 LEU 76 HD21 LEU 76 -0.700 2.169 2.169
581 2HD2 LEU 76 HD22 LEU 76 -1.077 0.493 0.493
582 3HD2 LEU 76 HD23 LEU 76 -0.383 1.616 1.616
583 H ASP 77 HN ASP 77 -4.781 4.434 4.434
584 HA ASP 77 HA ASP 77 -6.207 6.459 6.459
585 1HB ASP 77 HB2 ASP 77 -7.389 6.956 6.956
586 2HB ASP 77 HB3 ASP 77 -7.792 5.415 5.415
587 H VAL 78 HN VAL 78 -3.381 5.674 5.674
588 HA VAL 78 HA VAL 78 -1.659 6.887 6.887
589 HB VAL 78 HB VAL 78 -3.372 8.939 8.939
590 1HG1 VAL 78 HG11 VAL 78 -1.521 9.573 9.573
591 2HG1 VAL 78 HG12 VAL 78 -1.490 10.642 10.642
592 3HG1 VAL 78 HG13 VAL 78 -3.009 10.394 10.394
593 1HG2 VAL 78 HG23 VAL 78 -1.021 7.511 7.511
594 2HG2 VAL 78 HG21 VAL 78 -1.787 8.797 8.797
595 3HG2 VAL 78 HG22 VAL 78 -0.515 9.204 9.204
596 H GLY 79 HN GLY 79 -4.830 8.288 8.288
597 1HA GLY 79 HA1 GLY 79 -4.042 9.312 9.312
598 2HA GLY 79 HA2 GLY 79 -5.641 8.712 8.712
599 H GLY 80 HN GLY 80 -3.972 6.021 6.021
600 1HA GLY 80 HA1 GLY 80 -3.947 5.093 5.093
601 2HA GLY 80 HA2 GLY 80 -4.557 4.144 4.144
602 H LYS 81 HN LYS 81 -2.503 4.934 4.934
603 HA LYS 81 HA LYS 81 -0.308 3.355 3.355
604 1HB LYS 81 HB2 LYS 81 0.010 3.634 3.634
605 2HB LYS 81 HB3 LYS 81 -0.475 2.206 2.206
606 1HG LYS 81 HG2 LYS 81 -2.431 4.383 4.383
607 2HG LYS 81 HG3 LYS 81 -2.103 2.950 2.950
608 1HD LYS 81 HD2 LYS 81 -3.285 1.565 1.565
609 2HD LYS 81 HD3 LYS 81 -2.757 2.408 2.408
610 1HE LYS 81 HE2 LYS 81 -4.790 3.411 3.411
611 2HE LYS 81 HE3 LYS 81 -4.376 4.289 4.289
612 1HZ LYS 81 HZ3 LYS 81 -5.387 1.559 1.559
613 2HZ LYS 81 HZ1 LYS 81 -6.425 2.806 2.806
614 3HZ LYS 81 HZ2 LYS 81 -5.444 2.750 2.750
615 H LYS 82 HN LYS 82 0.037 5.411 5.411
616 HA LYS 82 HA LYS 82 0.846 7.776 7.776
617 1HB LYS 82 HB2 LYS 82 3.389 7.447 7.447
618 2HB LYS 82 HB3 LYS 82 2.411 6.984 6.984
619 1HG LYS 82 HG2 LYS 82 2.508 4.692 4.692
620 2HG LYS 82 HG3 LYS 82 4.143 5.323 5.323
621 1HD LYS 82 HD2 LYS 82 4.422 4.487 4.487
622 2HD LYS 82 HD3 LYS 82 3.072 5.438 5.438
623 1HE LYS 82 HE2 LYS 82 1.607 3.664 3.664
624 2HE LYS 82 HE3 LYS 82 2.267 3.048 3.048
625 1HZ LYS 82 HZ1 LYS 82 4.143 2.816 2.816
626 2HZ LYS 82 HZ2 LYS 82 2.743 2.086 2.086
627 3HZ LYS 82 HZ3 LYS 82 3.515 1.648 1.648
628 H GLU 83 HN GLU 83 3.103 5.601 5.601
629 HA GLU 83 HA GLU 83 2.054 6.609 6.609
630 1HB GLU 83 HB2 GLU 83 5.031 6.883 6.883
631 2HB GLU 83 HB3 GLU 83 3.942 7.773 7.773
632 1HG GLU 83 HG2 GLU 83 4.442 9.380 9.380
633 2HG GLU 83 HG3 GLU 83 2.933 8.725 8.725
634 H TYR 84 HN TYR 84 3.012 5.427 5.427
635 HA TYR 84 HA TYR 84 4.414 2.976 2.976
636 1HB TYR 84 HB2 TYR 84 2.666 1.765 1.765
637 2HB TYR 84 HB3 TYR 84 1.993 2.432 2.432
638 HD1 TYR 84 HD2 TYR 84 2.626 3.555 3.555
639 HD2 TYR 84 HD1 TYR 84 -0.040 3.523 3.523
640 HE1 TYR 84 HE2 TYR 84 0.895 4.830 4.830
641 HE2 TYR 84 HE1 TYR 84 -1.762 4.798 4.798
642 HH TYR 84 HH TYR 84 -2.130 4.919 4.919
643 H LEU 85 HN LEU 85 5.501 1.946 1.946
644 HA LEU 85 HA LEU 85 6.246 3.883 3.883
645 1HB LEU 85 HB2 LEU 85 7.893 2.139 2.139
646 2HB LEU 85 HB3 LEU 85 8.021 2.716 2.716
647 HG LEU 85 HG LEU 85 8.228 0.162 0.162
648 1HD1 LEU 85 HD11 LEU 85 7.723 1.628 1.628
649 2HD1 LEU 85 HD12 LEU 85 6.506 0.329 0.329
650 3HD1 LEU 85 HD13 LEU 85 8.235 -0.075 -0.075
651 1HD2 LEU 85 HD21 LEU 85 5.223 0.479 0.479
652 2HD2 LEU 85 HD22 LEU 85 6.129 -0.057 -0.057
653 3HD2 LEU 85 HD23 LEU 85 6.111 -1.063 -1.063
654 H ILE 86 HN ILE 86 3.582 2.035 2.035
655 HA ILE 86 HA ILE 86 2.632 0.471 0.471
656 HB ILE 86 HB ILE 86 2.047 3.284 3.284
657 1HG1 ILE 86 HG12 ILE 86 -0.223 2.519 2.519
658 2HG1 ILE 86 HG13 ILE 86 0.200 0.935 0.935
659 1HG2 ILE 86 HG23 ILE 86 1.769 1.807 1.807
660 2HG2 ILE 86 HG21 ILE 86 0.600 3.067 3.067
661 3HG2 ILE 86 HG22 ILE 86 2.328 3.468 3.468
662 1HD1 ILE 86 HD12 ILE 86 1.873 1.518 1.518
663 2HD1 ILE 86 HD13 ILE 86 0.165 1.782 1.782
664 3HD1 ILE 86 HD11 ILE 86 0.691 0.205 0.205
665 H ALA 87 HN ALA 87 3.711 -0.908 -0.908
666 HA ALA 87 HA ALA 87 4.752 0.258 0.258
667 1HB ALA 87 HB1 ALA 87 6.206 -1.112 -1.112
668 2HB ALA 87 HB2 ALA 87 6.344 -1.984 -1.984
669 3HB ALA 87 HB3 ALA 87 6.829 -0.275 -0.275
670 H GLY 88 HN GLY 88 3.430 -0.491 -0.491
671 1HA GLY 88 HA1 GLY 88 2.866 -3.371 -3.371
672 2HA GLY 88 HA2 GLY 88 1.518 -2.252 -2.252
673 H LYS 89 HN LYS 89 1.552 -3.779 -3.779
674 HA LYS 89 HA LYS 89 3.255 -3.253 -3.253
675 1HB LYS 89 HB2 LYS 89 1.247 -4.909 -4.909
676 2HB LYS 89 HB3 LYS 89 0.307 -3.626 -3.626
677 1HG LYS 89 HG2 LYS 89 1.323 -3.865 -3.865
678 2HG LYS 89 HG3 LYS 89 2.894 -4.212 -4.212
679 1HD LYS 89 HD2 LYS 89 1.686 -6.479 -6.479
680 2HD LYS 89 HD3 LYS 89 0.603 -6.101 -6.101
681 1HE LYS 89 HE2 LYS 89 3.328 -5.697 -5.697
682 2HE LYS 89 HE3 LYS 89 3.227 -7.271 -7.271
683 1HZ LYS 89 HZ1 LYS 89 1.026 -7.306 -7.306
684 2HZ LYS 89 HZ2 LYS 89 1.919 -6.322 -6.322
685 3HZ LYS 89 HZ3 LYS 89 2.463 -7.818 -7.818
686 H ALA 90 HN ALA 90 0.807 -1.183 -1.183
687 HA ALA 90 HA ALA 90 0.460 0.999 0.999
688 1HB ALA 90 HB2 ALA 90 2.976 0.619 0.619
689 2HB ALA 90 HB3 ALA 90 2.001 1.635 1.635
690 3HB ALA 90 HB1 ALA 90 2.271 2.142 2.142
691 H GLU 91 HN GLU 91 -0.376 2.600 2.600
692 HA GLU 91 HA GLU 91 -1.762 0.967 0.967
693 1HB GLU 91 HB2 GLU 91 -3.140 1.682 1.682
694 2HB GLU 91 HB3 GLU 91 -3.193 3.255 3.255
695 1HG GLU 91 HG2 GLU 91 -5.177 1.847 1.847
696 2HG GLU 91 HG3 GLU 91 -4.252 2.308 2.308
697 H GLY 92 HN GLY 92 0.496 3.254 3.254
698 1HA GLY 92 HA1 GLY 92 1.139 4.249 4.249
699 2HA GLY 92 HA2 GLY 92 -0.446 4.994 4.994
700 H ASP 93 HN ASP 93 -0.425 7.100 7.100
701 HA ASP 93 HA ASP 93 1.424 7.770 7.770
702 1HB ASP 93 HB2 ASP 93 1.226 8.870 8.870
703 2HB ASP 93 HB3 ASP 93 1.044 10.123 10.123
704 H GLY 94 HN GLY 94 0.553 9.325 9.325
705 1HA GLY 94 HA1 GLY 94 -0.981 10.723 10.723
706 2HA GLY 94 HA2 GLY 94 -1.934 10.674 10.674
707 H LYS 95 HN LYS 95 -1.350 7.469 7.469
708 HA LYS 95 HA LYS 95 -2.944 6.861 6.861
709 1HB LYS 95 HB2 LYS 95 -5.053 6.396 6.396
710 2HB LYS 95 HB3 LYS 95 -4.649 7.927 7.927
711 1HG LYS 95 HG2 LYS 95 -4.165 5.224 5.224
712 2HG LYS 95 HG3 LYS 95 -5.613 6.178 6.178
713 1HD LYS 95 HD2 LYS 95 -2.753 7.039 7.039
714 2HD LYS 95 HD3 LYS 95 -3.991 6.611 6.611
715 1HE LYS 95 HE2 LYS 95 -3.969 9.025 9.025
716 2HE LYS 95 HE3 LYS 95 -3.901 9.035 9.035
717 1HZ LYS 95 HZ1 LYS 95 -6.121 7.982 7.982
718 2HZ LYS 95 HZ2 LYS 95 -6.176 8.212 8.212
719 3HZ LYS 95 HZ3 LYS 95 -6.099 9.497 9.497
720 H MET 96 HN MET 96 -3.005 4.585 4.585
721 HA MET 96 HA MET 96 -1.923 2.933 2.933
722 1HB MET 96 HB2 MET 96 -0.360 2.013 2.013
723 2HB MET 96 HB3 MET 96 0.190 3.265 3.265
724 1HG MET 96 HG2 MET 96 0.202 4.843 4.843
725 2HG MET 96 HG3 MET 96 -1.410 4.409 4.409
726 1HE MET 96 HE3 MET 96 1.947 4.712 4.712
727 2HE MET 96 HE1 MET 96 1.608 4.803 4.803
728 3HE MET 96 HE2 MET 96 2.587 3.464 3.464
729 H HIS 97 HN HIS 97 -1.434 0.595 0.595
730 HA HIS 97 HA HIS 97 -3.988 0.188 0.188
731 1HB HIS 97 HB2 HIS 97 -2.973 -1.074 -1.074
732 2HB HIS 97 HB3 HIS 97 -3.273 -2.263 -2.263
733 HD1 HIS 97 HD1 HIS 97 -5.292 -3.165 -3.165
734 HD2 HIS 97 HD2 HIS 97 -5.728 0.765 0.765
735 HE1 HIS 97 HE1 HIS 97 -7.751 -2.562 -2.562
736 H ILE 98 HN ILE 98 -3.860 -0.836 -0.836
737 HA ILE 98 HA ILE 98 -1.444 -2.322 -2.322
738 HB ILE 98 HB ILE 98 -1.011 -1.092 -1.092
739 1HG1 ILE 98 HG12 ILE 98 -3.328 0.647 0.647
740 2HG1 ILE 98 HG13 ILE 98 -3.181 -0.284 -0.284
741 1HG2 ILE 98 HG22 ILE 98 -0.094 -0.439 -0.439
742 2HG2 ILE 98 HG23 ILE 98 -1.083 1.023 1.023
743 3HG2 ILE 98 HG21 ILE 98 0.198 0.621 0.621
744 1HD1 ILE 98 HD11 ILE 98 -1.046 1.761 1.761
745 2HD1 ILE 98 HD12 ILE 98 -2.644 2.337 2.337
746 3HD1 ILE 98 HD13 ILE 98 -1.709 1.227 1.227
747 H THR 99 HN THR 99 -1.847 -4.054 -4.054
748 HA THR 99 HA THR 99 -4.419 -4.093 -4.093
749 HB THR 99 HB THR 99 -4.525 -6.566 -6.566
750 HG1 THR 99 HG1 THR 99 -2.964 -6.848 -6.848
751 1HG2 THR 99 HG23 THR 99 -5.792 -4.238 -4.238
752 2HG2 THR 99 HG21 THR 99 -4.934 -4.692 -4.692
753 3HG2 THR 99 HG22 THR 99 -6.082 -5.829 -5.829
754 H LEU 100 HN LEU 100 -4.544 -5.913 -5.913
755 HA LEU 100 HA LEU 100 -2.278 -5.828 -5.828
756 1HB LEU 100 HB2 LEU 100 -3.543 -6.921 -6.921
757 2HB LEU 100 HB3 LEU 100 -4.803 -6.284 -6.284
758 HG LEU 100 HG LEU 100 -3.726 -9.059 -9.059
759 1HD1 LEU 100 HD13 LEU 100 -4.298 -8.902 -8.902
760 2HD1 LEU 100 HD11 LEU 100 -5.936 -8.358 -8.358
761 3HD1 LEU 100 HD12 LEU 100 -5.386 -9.990 -9.990
762 1HD2 LEU 100 HD21 LEU 100 -5.594 -7.483 -7.483
763 2HD2 LEU 100 HD22 LEU 100 -5.368 -9.241 -9.241
764 3HD2 LEU 100 HD23 LEU 100 -6.579 -8.602 -8.602
765 H CYS 101 HN CYS 101 -3.229 -7.930 -7.930
766 HA CYS 101 HA CYS 101 -1.437 -10.019 -10.019
767 1HB CYS 101 HB2 CYS 101 -2.150 -9.955 -9.955
768 2HB CYS 101 HB3 CYS 101 -2.464 -11.176 -11.176
769 H ASP 102 HN ASP 102 -1.387 -6.989 -6.989
770 HA ASP 102 HA ASP 102 1.045 -7.630 -7.630
771 1HB ASP 102 HB2 ASP 102 -0.925 -5.904 -5.904
772 2HB ASP 102 HB3 ASP 102 0.050 -4.800 -4.800
773 H PHE 103 HN PHE 103 2.938 -5.867 -5.867
774 HA PHE 103 HA PHE 103 3.782 -6.000 -6.000
775 1HB PHE 103 HB2 PHE 103 5.418 -6.062 -6.062
776 2HB PHE 103 HB3 PHE 103 4.681 -4.702 -4.702
777 HD1 PHE 103 HD2 PHE 103 5.147 -4.423 -4.423
778 HD2 PHE 103 HD1 PHE 103 6.934 -3.707 -3.707
779 HE1 PHE 103 HE2 PHE 103 6.802 -2.872 -2.872
780 HE2 PHE 103 HE1 PHE 103 8.589 -2.155 -2.155
781 HZ PHE 103 HZ PHE 103 8.503 -1.758 -1.758
782 H ILE 104 HN ILE 104 3.234 -4.668 -4.668
783 HA ILE 104 HA ILE 104 3.228 -1.857 -1.857
784 HB ILE 104 HB ILE 104 0.777 -1.694 -1.694
785 1HG1 ILE 104 HG12 ILE 104 0.680 -4.356 -4.356
786 2HG1 ILE 104 HG13 ILE 104 0.424 -4.118 -4.118
787 1HG2 ILE 104 HG22 ILE 104 2.010 -1.208 -1.208
788 2HG2 ILE 104 HG23 ILE 104 0.769 -2.377 -2.377
789 3HG2 ILE 104 HG21 ILE 104 0.291 -0.879 -0.879
790 1HD1 ILE 104 HD12 ILE 104 -1.449 -2.454 -2.454
791 2HD1 ILE 104 HD13 ILE 104 -1.301 -3.128 -3.128
792 3HD1 ILE 104 HD11 ILE 104 -1.768 -4.182 -4.182
793 H VAL 105 HN VAL 105 3.677 -0.880 -0.880
794 HA VAL 105 HA VAL 105 2.972 -2.206 -2.206
795 HB VAL 105 HB VAL 105 5.668 -1.826 -1.826
796 1HG1 VAL 105 HG12 VAL 105 4.064 -3.681 -3.681
797 2HG1 VAL 105 HG13 VAL 105 4.471 -4.484 -4.484
798 3HG1 VAL 105 HG11 VAL 105 5.746 -4.160 -4.160
799 1HG2 VAL 105 HG23 VAL 105 5.275 -3.037 -3.037
800 2HG2 VAL 105 HG21 VAL 105 6.213 -1.585 -1.585
801 3HG2 VAL 105 HG22 VAL 105 6.767 -3.190 -3.190
802 HA PRO 106 HA PRO 106 3.113 1.908 1.908
803 1HB PRO 106 HB2 PRO 106 3.494 1.679 1.679
804 2HB PRO 106 HB3 PRO 106 1.940 1.436 1.436
805 1HG PRO 106 HG2 PRO 106 3.804 -0.582 -0.582
806 2HG PRO 106 HG3 PRO 106 2.101 -0.751 -0.751
807 1HD PRO 106 HD2 PRO 106 4.308 -1.726 -1.726
808 2HD PRO 106 HD3 PRO 106 2.611 -1.792 -1.792
809 H TRP 107 HN TRP 107 5.781 0.245 0.245
810 HA TRP 107 HA TRP 107 7.888 0.907 0.907
811 1HB TRP 107 HB2 TRP 107 6.857 3.150 3.150
812 2HB TRP 107 HB3 TRP 107 7.153 3.613 3.613
813 HD1 TRP 107 HD1 TRP 107 9.508 1.899 1.899
814 HE1 TRP 107 HE1 TRP 107 11.824 3.159 3.159
815 HE3 TRP 107 HE3 TRP 107 8.326 5.469 5.469
816 HZ2 TRP 107 HZ2 TRP 107 12.878 5.456 5.456
817 HZ3 TRP 107 HZ3 TRP 107 10.056 7.184 7.184
818 HH2 TRP 107 HH2 TRP 107 12.267 7.215 7.215
819 H ASP 108 HN ASP 108 6.520 2.449 2.449
820 HA ASP 108 HA ASP 108 8.815 1.905 1.905
821 1HB ASP 108 HB2 ASP 108 7.134 3.662 3.662
822 2HB ASP 108 HB3 ASP 108 5.941 2.421 2.421
823 H THR 109 HN THR 109 8.386 -0.520 -0.520
824 HA THR 109 HA THR 109 7.848 -2.246 -2.246
825 HB THR 109 HB THR 109 6.071 -3.520 -3.520
826 HG1 THR 109 HG1 THR 109 6.223 -2.444 -2.444
827 1HG2 THR 109 HG23 THR 109 5.506 -1.962 -1.962
828 2HG2 THR 109 HG21 THR 109 5.244 -0.682 -0.682
829 3HG2 THR 109 HG22 THR 109 4.227 -2.143 -2.143
830 H LEU 110 HN LEU 110 8.220 -2.073 -2.073
831 HA LEU 110 HA LEU 110 9.111 -3.989 -3.989
832 1HB LEU 110 HB2 LEU 110 11.312 -2.101 -2.101
833 2HB LEU 110 HB3 LEU 110 11.337 -3.158 -3.158
834 HG LEU 110 HG LEU 110 9.350 -0.905 -0.905
835 1HD1 LEU 110 HD13 LEU 110 11.681 -0.089 -0.089
836 2HD1 LEU 110 HD11 LEU 110 11.818 -0.937 -0.937
837 3HD1 LEU 110 HD12 LEU 110 10.649 0.393 0.393
838 1HD2 LEU 110 HD23 LEU 110 9.282 -3.121 -3.121
839 2HD2 LEU 110 HD21 LEU 110 8.264 -1.661 -1.661
840 3HD2 LEU 110 HD22 LEU 110 9.766 -1.731 -1.731
841 H SER 111 HN SER 111 12.148 -3.549 -3.549
842 HA SER 111 HA SER 111 12.349 -4.931 -4.931
843 1HB SER 111 HB2 SER 111 11.388 -6.871 -6.871
844 2HB SER 111 HB3 SER 111 12.581 -7.448 -7.448
845 HG SER 111 HG SER 111 10.367 -6.008 -6.008
846 H THR 112 HN THR 112 13.265 -5.213 -5.213
847 HA THR 112 HA THR 112 15.738 -4.275 -4.275
848 HB THR 112 HB THR 112 15.644 -6.917 -6.917
849 HG1 THR 112 HG1 THR 112 16.297 -4.671 -4.671
850 1HG2 THR 112 HG23 THR 112 17.789 -6.153 -6.153
851 2HG2 THR 112 HG21 THR 112 18.101 -7.259 -7.259
852 3HG2 THR 112 HG22 THR 112 16.908 -7.695 -7.695
853 H THR 113 HN THR 113 14.616 -7.609 -7.609
854 HA THR 113 HA THR 113 15.739 -7.653 -7.653
855 HB THR 113 HB THR 113 13.234 -8.894 -8.894
856 HG1 THR 113 HG1 THR 113 15.943 -9.659 -9.659
857 1HG2 THR 113 HG23 THR 113 13.495 -8.695 -8.695
858 2HG2 THR 113 HG21 THR 113 14.494 -10.133 -10.133
859 3HG2 THR 113 HG22 THR 113 12.784 -10.109 -10.109
860 H GLN 114 HN GLN 114 12.968 -5.789 -5.789
861 HA GLN 114 HA GLN 114 12.086 -5.312 -5.312
862 1HB GLN 114 HB2 GLN 114 11.190 -4.493 -4.493
863 2HB GLN 114 HB3 GLN 114 10.649 -3.533 -3.533
864 1HG GLN 114 HG2 GLN 114 8.960 -5.097 -5.097
865 2HG GLN 114 HG3 GLN 114 10.122 -5.990 -5.990
866 1HE2 GLN 114 HE22 GLN 114 11.190 -8.115 -8.115
867 2HE2 GLN 114 HE21 GLN 114 11.849 -7.121 -7.121
868 H LYS 115 HN LYS 115 14.046 -3.720 -3.720
869 HA LYS 115 HA LYS 115 14.119 -1.192 -1.192
870 1HB LYS 115 HB2 LYS 115 15.237 -2.482 -2.482
871 2HB LYS 115 HB3 LYS 115 16.399 -1.422 -1.422
872 1HG LYS 115 HG2 LYS 115 15.132 0.492 0.492
873 2HG LYS 115 HG3 LYS 115 13.604 -0.358 -0.358
874 1HD LYS 115 HD2 LYS 115 15.522 -0.339 -0.339
875 2HD LYS 115 HD3 LYS 115 13.886 0.287 0.287
876 1HE LYS 115 HE2 LYS 115 13.207 -2.193 -2.193
877 2HE LYS 115 HE3 LYS 115 14.792 -2.611 -2.611
878 1HZ LYS 115 HZ3 LYS 115 13.946 -1.055 -1.055
879 2HZ LYS 115 HZ1 LYS 115 12.496 -1.602 -1.602
880 3HZ LYS 115 HZ2 LYS 115 13.640 -2.659 -2.659
881 H LYS 116 HN LYS 116 16.162 -4.152 -4.152
882 HA LYS 116 HA LYS 116 18.217 -3.018 -3.018
883 1HB LYS 116 HB2 LYS 116 18.996 -5.240 -5.240
884 2HB LYS 116 HB3 LYS 116 18.300 -5.151 -5.151
885 1HG LYS 116 HG2 LYS 116 16.959 -6.899 -6.899
886 2HG LYS 116 HG3 LYS 116 16.135 -5.870 -5.870
887 1HD LYS 116 HD2 LYS 116 18.753 -7.016 -7.016
888 2HD LYS 116 HD3 LYS 116 17.448 -8.165 -8.165
889 1HE LYS 116 HE2 LYS 116 16.521 -7.506 -7.506
890 2HE LYS 116 HE3 LYS 116 16.356 -5.870 -5.870
891 1HZ LYS 116 HZ3 LYS 116 18.999 -6.144 -6.144
892 2HZ LYS 116 HZ1 LYS 116 18.244 -6.896 -6.896
893 3HZ LYS 116 HZ2 LYS 116 17.891 -5.341 -5.341
894 H SER 117 HN SER 117 14.928 -3.696 -3.696
895 HA SER 117 HA SER 117 15.545 -3.990 -3.990
896 1HB SER 117 HB2 SER 117 13.571 -5.103 -5.103
897 2HB SER 117 HB3 SER 117 12.694 -3.898 -3.898
898 HG SER 117 HG SER 117 14.481 -5.755 -5.755
899 H LEU 118 HN LEU 118 14.994 -1.563 -1.563
900 HA LEU 118 HA LEU 118 13.360 0.148 0.148
901 1HB LEU 118 HB2 LEU 118 14.919 0.555 0.555
902 2HB LEU 118 HB3 LEU 118 13.984 1.821 1.821
903 HG LEU 118 HG LEU 118 12.945 -0.764 -0.764
904 1HD1 LEU 118 HD11 LEU 118 13.432 1.772 1.772
905 2HD1 LEU 118 HD12 LEU 118 11.668 1.645 1.645
906 3HD1 LEU 118 HD13 LEU 118 12.551 0.403 0.403
907 1HD2 LEU 118 HD21 LEU 118 11.636 1.187 1.187
908 2HD2 LEU 118 HD22 LEU 118 11.521 -0.588 -0.588
909 3HD2 LEU 118 HD23 LEU 118 10.670 0.403 0.403
910 H ASN 119 HN ASN 119 16.807 -0.535 -0.535
911 HA ASN 119 HA ASN 119 17.448 1.824 1.824
912 1HB ASN 119 HB2 ASN 119 19.526 -0.154 -0.154
913 2HB ASN 119 HB3 ASN 119 19.669 1.583 1.583
914 1HD2 ASN 119 HD22 ASN 119 18.185 -0.159 -0.159
915 2HD2 ASN 119 HD21 ASN 119 18.484 -1.043 -1.043
916 H HIS 120 HN HIS 120 16.680 -1.488 -1.488
917 HA HIS 120 HA HIS 120 18.488 -1.935 -1.935
918 1HB HIS 120 HB2 HIS 120 18.156 -4.131 -4.131
919 2HB HIS 120 HB3 HIS 120 17.594 -3.597 -3.597
920 HD1 HIS 120 HD1 HIS 120 14.765 -2.494 -2.494
921 HD2 HIS 120 HD2 HIS 120 16.406 -6.307 -6.307
922 HE1 HIS 120 HE1 HIS 120 12.803 -4.045 -4.045
923 H ARG 121 HN ARG 121 16.498 0.242 0.242
924 HA ARG 121 HA ARG 121 15.180 1.098 1.098
925 1HB ARG 121 HB2 ARG 121 15.684 -1.470 -1.470
926 2HB ARG 121 HB3 ARG 121 14.824 -0.088 -0.088
927 1HG ARG 121 HG2 ARG 121 17.698 -0.038 -0.038
928 2HG ARG 121 HG3 ARG 121 17.240 -0.086 -0.086
929 1HD ARG 121 HD2 ARG 121 15.757 2.081 2.081
930 2HD ARG 121 HD3 ARG 121 17.257 2.205 2.205
931 HE ARG 121 HE ARG 121 16.911 2.563 2.563
932 1HH1 ARG 121 HH22 ARG 121 19.205 1.905 1.905
933 2HH1 ARG 121 HH21 ARG 121 20.578 2.444 2.444
934 1HH2 ARG 121 HH12 ARG 121 18.723 3.276 3.276
935 2HH2 ARG 121 HH11 ARG 121 20.302 3.230 3.230
936 H TYR 122 HN TYR 122 13.786 -1.592 -1.592
937 HA TYR 122 HA TYR 122 11.707 -1.921 -1.921
938 1HB TYR 122 HB2 TYR 122 10.027 -1.477 -1.477
939 2HB TYR 122 HB3 TYR 122 11.154 -0.134 -0.134
940 HD1 TYR 122 HD1 TYR 122 12.976 -0.069 -0.069
941 HD2 TYR 122 HD2 TYR 122 9.727 -2.849 -2.849
942 HE1 TYR 122 HE1 TYR 122 13.417 -0.469 -0.469
943 HE2 TYR 122 HE2 TYR 122 10.178 -3.238 -3.238
944 HH TYR 122 HH TYR 122 12.937 -1.690 -1.690
945 H GLN 123 HN GLN 123 14.058 -3.354 -3.354
946 HA GLN 123 HA GLN 123 13.211 -5.887 -5.887
947 1HB GLN 123 HB2 GLN 123 11.389 -5.385 -5.385
948 2HB GLN 123 HB3 GLN 123 12.600 -5.067 -5.067
949 1HG GLN 123 HG2 GLN 123 13.230 -7.615 -7.615
950 2HG GLN 123 HG3 GLN 123 11.513 -7.614 -7.614
951 1HE2 GLN 123 HE22 GLN 123 11.773 -7.531 -7.531
952 2HE2 GLN 123 HE21 GLN 123 10.773 -7.260 -7.260
953 H MET 124 HN MET 124 15.574 -5.149 -5.149
954 HA MET 124 HA MET 124 17.361 -4.939 -4.939
955 1HB MET 124 HB2 MET 124 17.390 -4.950 -4.950
956 2HB MET 124 HB3 MET 124 18.742 -5.881 -5.881
957 1HG MET 124 HG2 MET 124 18.419 -3.400 -3.400
958 2HG MET 124 HG3 MET 124 18.565 -3.055 -3.055
959 1HE MET 124 HE1 MET 124 20.545 -2.111 -2.111
960 2HE MET 124 HE2 MET 124 22.035 -3.059 -3.059
961 3HE MET 124 HE3 MET 124 20.528 -3.562 -3.562
962 H GLY 125 HN GLY 125 16.025 -7.056 -7.056
963 1HA GLY 125 HA1 GLY 125 16.103 -9.235 -9.235
964 2HA GLY 125 HA2 GLY 125 17.841 -9.034 -9.034
965 H CYS 126 HN CYS 126 15.958 -8.482 -8.482
966 HA CYS 126 HA CYS 126 17.400 -10.316 -10.316
967 1HB CYS 126 HB2 CYS 126 16.153 -9.665 -9.665
968 2HB CYS 126 HB3 CYS 126 15.878 -8.314 -8.314
969 H GLU 127 HN GLU 127 15.585 -11.920 -11.920
970 HA GLU 127 HA GLU 127 13.745 -13.272 -13.272
971 1HB GLU 127 HB2 GLU 127 15.754 -13.939 -13.939
972 2HB GLU 127 HB3 GLU 127 16.442 -14.696 -14.696
973 1HG GLU 127 HG2 GLU 127 13.981 -15.882 -15.882
974 2HG GLU 127 HG3 GLU 127 14.140 -15.586 -15.586
Start of MODEL 15
1 H CYS 1 HN CYS 1 -12.081 -11.962 -11.962
2 HA CYS 1 HA CYS 1 -9.876 -12.293 -12.293
3 1HB CYS 1 HB2 CYS 1 -8.869 -10.271 -10.271
4 2HB CYS 1 HB3 CYS 1 -10.517 -9.864 -9.864
5 H SER 2 HN SER 2 -8.115 -12.398 -12.398
6 HA SER 2 HA SER 2 -8.182 -11.474 -11.474
7 1HB SER 2 HB2 SER 2 -8.852 -13.892 -13.892
8 2HB SER 2 HB3 SER 2 -9.969 -12.549 -12.549
9 HG SER 2 HG SER 2 -9.839 -14.039 -14.039
10 H CYS 3 HN CYS 3 -6.059 -11.645 -11.645
11 HA CYS 3 HA CYS 3 -4.811 -14.249 -14.249
12 1HB CYS 3 HB2 CYS 3 -4.452 -13.476 -13.476
13 2HB CYS 3 HB3 CYS 3 -4.224 -11.815 -11.815
14 H SER 4 HN SER 4 -2.502 -14.244 -14.244
15 HA SER 4 HA SER 4 -2.461 -12.470 -12.470
16 1HB SER 4 HB2 SER 4 -1.017 -14.064 -14.064
17 2HB SER 4 HB3 SER 4 -2.253 -15.003 -15.003
18 HG SER 4 HG SER 4 -0.705 -15.973 -15.973
19 HA PRO 5 HA PRO 5 0.757 -10.238 -10.238
20 1HB PRO 5 HB2 PRO 5 1.273 -8.453 -8.453
21 2HB PRO 5 HB3 PRO 5 -0.016 -8.237 -8.237
22 1HG PRO 5 HG2 PRO 5 -0.200 -9.059 -9.059
23 2HG PRO 5 HG3 PRO 5 -1.460 -8.434 -8.434
24 1HD PRO 5 HD2 PRO 5 -1.076 -11.167 -11.167
25 2HD PRO 5 HD3 PRO 5 -2.263 -10.558 -10.558
26 H VAL 6 HN VAL 6 2.437 -11.597 -11.597
27 HA VAL 6 HA VAL 6 4.237 -11.841 -11.841
28 HB VAL 6 HB VAL 6 3.041 -13.938 -13.938
29 1HG1 VAL 6 HG11 VAL 6 3.851 -13.160 -13.160
30 2HG1 VAL 6 HG12 VAL 6 4.546 -14.752 -14.752
31 3HG1 VAL 6 HG13 VAL 6 2.788 -14.495 -14.495
32 1HG2 VAL 6 HG23 VAL 6 5.945 -13.546 -13.546
33 2HG2 VAL 6 HG21 VAL 6 4.873 -14.673 -14.673
34 3HG2 VAL 6 HG22 VAL 6 5.487 -15.093 -15.093
35 H HIS 7 HN HIS 7 5.848 -13.339 -13.339
36 HA HIS 7 HA HIS 7 7.730 -12.707 -12.707
37 1HB HIS 7 HB2 HIS 7 7.036 -10.932 -10.932
38 2HB HIS 7 HB3 HIS 7 6.696 -12.649 -12.649
39 HD1 HIS 7 HD1 HIS 7 4.311 -13.233 -13.233
40 HD2 HIS 7 HD2 HIS 7 4.694 -9.453 -9.453
41 HE1 HIS 7 HE1 HIS 7 1.963 -12.238 -12.238
42 HA PRO 8 HA PRO 8 8.708 -9.028 -9.028
43 1HB PRO 8 HB2 PRO 8 11.122 -9.890 -9.890
44 2HB PRO 8 HB3 PRO 8 9.615 -10.124 -10.124
45 1HG PRO 8 HG2 PRO 8 11.208 -12.099 -12.099
46 2HG PRO 8 HG3 PRO 8 9.963 -12.382 -12.382
47 1HD PRO 8 HD2 PRO 8 9.695 -12.634 -12.634
48 2HD PRO 8 HD3 PRO 8 8.421 -12.804 -12.804
49 H GLN 9 HN GLN 9 10.530 -10.781 -10.781
50 HA GLN 9 HA GLN 9 11.784 -8.238 -8.238
51 1HB GLN 9 HB2 GLN 9 13.559 -9.697 -9.697
52 2HB GLN 9 HB3 GLN 9 12.788 -11.089 -11.089
53 1HG GLN 9 HG2 GLN 9 14.669 -10.289 -10.289
54 2HG GLN 9 HG3 GLN 9 13.150 -10.139 -10.139
55 1HE2 GLN 9 HE22 GLN 9 14.611 -6.660 -6.660
56 2HE2 GLN 9 HE21 GLN 9 14.550 -8.155 -8.155
57 H GLN 10 HN GLN 10 9.918 -11.063 -11.063
58 HA GLN 10 HA GLN 10 10.140 -10.498 -10.498
59 1HB GLN 10 HB2 GLN 10 9.352 -12.619 -12.619
60 2HB GLN 10 HB3 GLN 10 8.813 -12.447 -12.447
61 1HG GLN 10 HG2 GLN 10 6.786 -12.819 -12.819
62 2HG GLN 10 HG3 GLN 10 6.818 -11.071 -11.071
63 1HE2 GLN 10 HE22 GLN 10 5.880 -11.955 -11.955
64 2HE2 GLN 10 HE21 GLN 10 5.262 -12.199 -12.199
65 H ALA 11 HN ALA 11 8.667 -8.783 -8.783
66 HA ALA 11 HA ALA 11 6.324 -7.979 -7.979
67 1HB ALA 11 HB2 ALA 11 7.422 -7.697 -7.697
68 2HB ALA 11 HB3 ALA 11 6.516 -6.286 -6.286
69 3HB ALA 11 HB1 ALA 11 5.738 -7.886 -7.886
70 H PHE 12 HN PHE 12 9.610 -6.799 -6.799
71 HA PHE 12 HA PHE 12 9.055 -4.269 -4.269
72 1HB PHE 12 HB2 PHE 12 11.516 -5.577 -5.577
73 2HB PHE 12 HB3 PHE 12 11.514 -3.931 -3.931
74 HD1 PHE 12 HD1 PHE 12 9.057 -5.866 -5.866
75 HD2 PHE 12 HD2 PHE 12 11.578 -2.465 -2.465
76 HE1 PHE 12 HE1 PHE 12 8.203 -5.057 -5.057
77 HE2 PHE 12 HE2 PHE 12 10.724 -1.654 -1.654
78 HZ PHE 12 HZ PHE 12 9.047 -2.960 -2.960
79 H CYS 13 HN CYS 13 9.476 -7.259 -7.259
80 HA CYS 13 HA CYS 13 11.314 -6.333 -6.333
81 1HB CYS 13 HB2 CYS 13 10.950 -9.001 -9.001
82 2HB CYS 13 HB3 CYS 13 11.392 -8.953 -8.953
83 H ASN 14 HN ASN 14 8.093 -6.960 -6.960
84 HA ASN 14 HA ASN 14 7.389 -7.783 -7.783
85 1HB ASN 14 HB2 ASN 14 6.452 -8.602 -8.602
86 2HB ASN 14 HB3 ASN 14 5.180 -7.545 -7.545
87 1HD2 ASN 14 HD22 ASN 14 6.049 -11.135 -11.135
88 2HD2 ASN 14 HD21 ASN 14 7.137 -10.374 -10.374
89 H ALA 15 HN ALA 15 6.893 -5.332 -5.332
90 HA ALA 15 HA ALA 15 4.866 -3.845 -3.845
91 1HB ALA 15 HB3 ALA 15 7.258 -3.051 -3.051
92 2HB ALA 15 HB1 ALA 15 5.885 -1.972 -1.972
93 3HB ALA 15 HB2 ALA 15 5.623 -3.481 -3.481
94 H ASP 16 HN ASP 16 5.266 -1.451 -1.451
95 HA ASP 16 HA ASP 16 7.553 -1.328 -1.328
96 1HB ASP 16 HB2 ASP 16 4.723 -1.708 -1.708
97 2HB ASP 16 HB3 ASP 16 5.651 -0.501 -0.501
98 H VAL 17 HN VAL 17 5.956 0.007 0.007
99 HA VAL 17 HA VAL 17 6.593 2.676 2.676
100 HB VAL 17 HB VAL 17 4.470 2.416 2.416
101 1HG1 VAL 17 HG11 VAL 17 3.570 0.752 0.752
102 2HG1 VAL 17 HG12 VAL 17 3.010 2.221 2.221
103 3HG1 VAL 17 HG13 VAL 17 2.435 1.857 1.857
104 1HG2 VAL 17 HG22 VAL 17 5.255 4.580 4.580
105 2HG2 VAL 17 HG23 VAL 17 3.542 4.479 4.479
106 3HG2 VAL 17 HG21 VAL 17 4.008 4.244 4.244
107 H VAL 18 HN VAL 18 7.902 2.419 2.419
108 HA VAL 18 HA VAL 18 6.434 1.956 1.956
109 HB VAL 18 HB VAL 18 9.359 2.302 2.302
110 1HG1 VAL 18 HG13 VAL 18 7.257 0.876 0.876
111 2HG1 VAL 18 HG11 VAL 18 8.639 -0.183 -0.183
112 3HG1 VAL 18 HG12 VAL 18 8.892 1.330 1.330
113 1HG2 VAL 18 HG21 VAL 18 8.064 0.073 0.073
114 2HG2 VAL 18 HG22 VAL 18 9.337 1.203 1.203
115 3HG2 VAL 18 HG23 VAL 18 9.699 -0.052 -0.052
116 H ILE 19 HN ILE 19 5.768 3.669 3.669
117 HA ILE 19 HA ILE 19 7.453 6.030 6.030
118 HB ILE 19 HB ILE 19 5.737 7.552 7.552
119 1HG1 ILE 19 HG12 ILE 19 3.955 5.175 5.175
120 2HG1 ILE 19 HG13 ILE 19 3.702 6.832 6.832
121 1HG2 ILE 19 HG21 ILE 19 7.078 6.356 6.356
122 2HG2 ILE 19 HG22 ILE 19 5.614 5.392 5.392
123 3HG2 ILE 19 HG23 ILE 19 5.578 7.159 7.159
124 1HD1 ILE 19 HD13 ILE 19 3.577 7.457 7.457
125 2HD1 ILE 19 HD11 ILE 19 3.501 5.709 5.709
126 3HD1 ILE 19 HD12 ILE 19 2.225 6.492 6.492
127 H ARG 20 HN ARG 20 7.651 6.722 6.722
128 HA ARG 20 HA ARG 20 6.136 5.376 5.376
129 1HB ARG 20 HB2 ARG 20 7.996 7.771 7.771
130 2HB ARG 20 HB3 ARG 20 7.541 6.593 6.593
131 1HG ARG 20 HG2 ARG 20 8.910 4.914 4.914
132 2HG ARG 20 HG3 ARG 20 8.841 5.576 5.576
133 1HD ARG 20 HD2 ARG 20 11.069 5.843 5.843
134 2HD ARG 20 HD3 ARG 20 10.473 7.233 7.233
135 HE ARG 20 HE ARG 20 9.286 7.591 7.591
136 1HH1 ARG 20 HH22 ARG 20 12.609 6.895 6.895
137 2HH1 ARG 20 HH21 ARG 20 13.295 7.707 7.707
138 1HH2 ARG 20 HH12 ARG 20 10.191 8.664 8.664
139 2HH2 ARG 20 HH11 ARG 20 11.909 8.720 8.720
140 H THR 21 HN THR 21 4.392 6.843 6.843
141 HA THR 21 HA THR 21 3.782 9.412 9.412
142 HB THR 21 HB THR 21 3.103 8.644 8.644
143 HG1 THR 21 HG1 THR 21 1.682 10.029 10.029
144 1HG2 THR 21 HG22 THR 21 2.693 6.179 6.179
145 2HG2 THR 21 HG23 THR 21 1.090 6.782 6.782
146 3HG2 THR 21 HG21 THR 21 1.587 6.843 6.843
147 H LYS 22 HN LYS 22 1.686 10.022 10.022
148 HA LYS 22 HA LYS 22 1.093 8.059 8.059
149 1HB LYS 22 HB2 LYS 22 0.854 9.880 9.880
150 2HB LYS 22 HB3 LYS 22 2.441 9.952 9.952
151 1HG LYS 22 HG2 LYS 22 1.740 11.744 11.744
152 2HG LYS 22 HG3 LYS 22 0.065 11.572 11.572
153 1HD LYS 22 HD2 LYS 22 2.386 12.696 12.696
154 2HD LYS 22 HD3 LYS 22 0.846 13.451 13.451
155 1HE LYS 22 HE2 LYS 22 -0.246 11.567 11.567
156 2HE LYS 22 HE3 LYS 22 1.373 11.158 11.158
157 1HZ LYS 22 HZ2 LYS 22 1.562 13.551 13.551
158 2HZ LYS 22 HZ3 LYS 22 -0.048 13.687 13.687
159 3HZ LYS 22 HZ1 LYS 22 0.525 12.662 12.662
160 H ALA 23 HN ALA 23 -0.965 7.339 7.339
161 HA ALA 23 HA ALA 23 -2.882 8.794 8.794
162 1HB ALA 23 HB2 ALA 23 -2.936 6.031 6.031
163 2HB ALA 23 HB3 ALA 23 -4.205 6.699 6.699
164 3HB ALA 23 HB1 ALA 23 -2.575 6.398 6.398
165 H VAL 24 HN VAL 24 -3.730 10.498 10.498
166 HA VAL 24 HA VAL 24 -4.592 9.914 9.914
167 HB VAL 24 HB VAL 24 -4.775 12.452 12.452
168 1HG1 VAL 24 HG13 VAL 24 -2.298 10.799 10.799
169 2HG1 VAL 24 HG11 VAL 24 -2.089 12.567 12.567
170 3HG1 VAL 24 HG12 VAL 24 -2.996 11.761 11.761
171 1HG2 VAL 24 HG23 VAL 24 -4.671 12.617 12.617
172 2HG2 VAL 24 HG21 VAL 24 -3.715 13.787 13.787
173 3HG2 VAL 24 HG22 VAL 24 -2.915 12.389 12.389
174 H SER 25 HN SER 25 -5.620 10.950 10.950
175 HA SER 25 HA SER 25 -8.358 10.871 10.871
176 1HB SER 25 HB2 SER 25 -8.194 13.053 13.053
177 2HB SER 25 HB3 SER 25 -6.984 12.652 12.652
178 HG SER 25 HG SER 25 -8.962 13.118 13.118
179 H GLU 26 HN GLU 26 -9.995 10.101 10.101
180 HA GLU 26 HA GLU 26 -8.790 8.418 8.418
181 1HB GLU 26 HB2 GLU 26 -10.445 7.417 7.417
182 2HB GLU 26 HB3 GLU 26 -10.494 6.567 6.567
183 1HG GLU 26 HG2 GLU 26 -8.607 5.486 5.486
184 2HG GLU 26 HG3 GLU 26 -7.750 6.993 6.993
185 H LYS 27 HN LYS 27 -10.970 7.139 7.139
186 HA LYS 27 HA LYS 27 -13.196 8.966 8.966
187 1HB LYS 27 HB2 LYS 27 -11.641 10.013 10.013
188 2HB LYS 27 HB3 LYS 27 -11.448 8.500 8.500
189 1HG LYS 27 HG2 LYS 27 -13.605 8.576 8.576
190 2HG LYS 27 HG3 LYS 27 -14.252 9.539 9.539
191 1HD LYS 27 HD2 LYS 27 -13.893 10.719 10.719
192 2HD LYS 27 HD3 LYS 27 -13.344 11.559 11.559
193 1HE LYS 27 HE2 LYS 27 -11.036 10.920 10.920
194 2HE LYS 27 HE3 LYS 27 -11.492 9.764 9.764
195 1HZ LYS 27 HZ3 LYS 27 -12.336 12.486 12.486
196 2HZ LYS 27 HZ1 LYS 27 -10.732 12.203 12.203
197 3HZ LYS 27 HZ2 LYS 27 -11.779 11.385 11.385
198 H GLU 28 HN GLU 28 -14.876 7.607 7.607
199 HA GLU 28 HA GLU 28 -14.583 4.868 4.868
200 1HB GLU 28 HB2 GLU 28 -15.895 5.464 5.464
201 2HB GLU 28 HB3 GLU 28 -16.910 6.549 6.549
202 1HG GLU 28 HG2 GLU 28 -17.407 4.318 4.318
203 2HG GLU 28 HG3 GLU 28 -16.921 3.532 3.532
204 H VAL 29 HN VAL 29 -14.289 4.611 4.611
205 HA VAL 29 HA VAL 29 -16.383 5.725 5.725
206 HB VAL 29 HB VAL 29 -14.800 4.974 4.974
207 1HG1 VAL 29 HG11 VAL 29 -14.835 7.273 7.273
208 2HG1 VAL 29 HG12 VAL 29 -13.114 6.839 6.839
209 3HG1 VAL 29 HG13 VAL 29 -14.068 7.087 7.087
210 1HG2 VAL 29 HG21 VAL 29 -13.555 3.580 3.580
211 2HG2 VAL 29 HG22 VAL 29 -12.881 3.895 3.895
212 3HG2 VAL 29 HG23 VAL 29 -12.478 4.974 4.974
213 H ASP 30 HN ASP 30 -18.146 4.357 4.357
214 HA ASP 30 HA ASP 30 -18.164 1.748 1.748
215 1HB ASP 30 HB2 ASP 30 -20.003 2.868 2.868
216 2HB ASP 30 HB3 ASP 30 -20.382 1.685 1.685
217 H SER 31 HN SER 31 -18.177 -0.234 -0.234
218 HA SER 31 HA SER 31 -17.330 0.153 0.153
219 1HB SER 31 HB2 SER 31 -15.249 -0.447 -0.447
220 2HB SER 31 HB3 SER 31 -15.891 -1.251 -1.251
221 HG SER 31 HG SER 31 -15.372 -2.279 -2.279
222 H GLY 32 HN GLY 32 -19.881 -0.626 -0.626
223 1HA GLY 32 HA1 GLY 32 -21.633 -1.990 -1.990
224 2HA GLY 32 HA2 GLY 32 -20.812 -2.606 -2.606
225 H ASN 33 HN ASN 33 -22.065 -4.599 -4.599
226 HA ASN 33 HA ASN 33 -20.695 -5.759 -5.759
227 1HB ASN 33 HB2 ASN 33 -22.662 -7.211 -7.211
228 2HB ASN 33 HB3 ASN 33 -22.374 -7.479 -7.479
229 1HD2 ASN 33 HD22 ASN 33 -24.549 -5.033 -5.033
230 2HD2 ASN 33 HD21 ASN 33 -23.301 -6.188 -6.188
231 H ASP 34 HN ASP 34 -19.903 -8.160 -8.160
232 HA ASP 34 HA ASP 34 -18.272 -8.222 -8.222
233 1HB ASP 34 HB2 ASP 34 -17.593 -8.707 -8.707
234 2HB ASP 34 HB3 ASP 34 -18.194 -10.314 -10.314
235 H ILE 35 HN ILE 35 -17.876 -11.122 -11.122
236 HA ILE 35 HA ILE 35 -20.275 -11.864 -11.864
237 HB ILE 35 HB ILE 35 -17.691 -13.349 -13.349
238 1HG1 ILE 35 HG12 ILE 35 -17.314 -12.723 -12.723
239 2HG1 ILE 35 HG13 ILE 35 -18.620 -11.568 -11.568
240 1HG2 ILE 35 HG21 ILE 35 -20.195 -14.047 -14.047
241 2HG2 ILE 35 HG22 ILE 35 -18.645 -14.484 -14.484
242 3HG2 ILE 35 HG23 ILE 35 -19.040 -15.083 -15.083
243 1HD1 ILE 35 HD13 ILE 35 -16.387 -11.576 -11.576
244 2HD1 ILE 35 HD11 ILE 35 -16.124 -10.816 -10.816
245 3HD1 ILE 35 HD12 ILE 35 -17.426 -10.229 -10.229
246 H TYR 36 HN TYR 36 -19.558 -11.691 -11.691
247 HA TYR 36 HA TYR 36 -20.910 -14.224 -14.224
248 1HB TYR 36 HB2 TYR 36 -18.546 -13.189 -13.189
249 2HB TYR 36 HB3 TYR 36 -19.618 -12.316 -12.316
250 HD1 TYR 36 HD1 TYR 36 -19.623 -15.854 -15.854
251 HD2 TYR 36 HD2 TYR 36 -19.530 -13.244 -13.244
252 HE1 TYR 36 HE1 TYR 36 -19.703 -17.862 -17.862
253 HE2 TYR 36 HE2 TYR 36 -19.611 -15.260 -15.260
254 HH TYR 36 HH TYR 36 -20.466 -18.304 -18.304
255 H GLY 37 HN GLY 37 -21.616 -11.020 -11.020
256 1HA GLY 37 HA1 GLY 37 -23.665 -10.027 -10.027
257 2HA GLY 37 HA2 GLY 37 -24.075 -11.193 -11.193
258 H ASN 38 HN ASN 38 -21.035 -10.421 -10.421
259 HA ASN 38 HA ASN 38 -21.996 -8.670 -8.670
260 1HB ASN 38 HB2 ASN 38 -19.475 -8.678 -8.678
261 2HB ASN 38 HB3 ASN 38 -20.310 -10.218 -10.218
262 1HD2 ASN 38 HD21 ASN 38 -17.618 -10.163 -10.163
263 2HD2 ASN 38 HD22 ASN 38 -17.062 -10.710 -10.710
264 HA PRO 39 HA PRO 39 -20.671 -4.947 -4.947
265 1HB PRO 39 HB2 PRO 39 -20.176 -3.334 -3.334
266 2HB PRO 39 HB3 PRO 39 -21.787 -3.649 -3.649
267 1HG PRO 39 HG2 PRO 39 -20.479 -4.728 -4.728
268 2HG PRO 39 HG3 PRO 39 -22.185 -4.683 -4.683
269 1HD PRO 39 HD2 PRO 39 -20.449 -6.961 -6.961
270 2HD PRO 39 HD3 PRO 39 -22.125 -6.887 -6.887
271 H ILE 40 HN ILE 40 -18.940 -4.233 -4.233
272 HA ILE 40 HA ILE 40 -16.440 -5.309 -5.309
273 HB ILE 40 HB ILE 40 -17.239 -3.433 -3.433
274 1HG1 ILE 40 HG12 ILE 40 -16.644 -6.404 -6.404
275 2HG1 ILE 40 HG13 ILE 40 -18.192 -5.645 -5.645
276 1HG2 ILE 40 HG23 ILE 40 -14.555 -4.547 -4.547
277 2HG2 ILE 40 HG21 ILE 40 -14.942 -4.189 -4.189
278 3HG2 ILE 40 HG22 ILE 40 -14.999 -2.892 -2.892
279 1HD1 ILE 40 HD12 ILE 40 -16.806 -4.395 -4.395
280 2HD1 ILE 40 HD13 ILE 40 -15.765 -5.830 -5.830
281 3HD1 ILE 40 HD11 ILE 40 -17.485 -6.019 -6.019
282 H LYS 41 HN LYS 41 -16.959 -1.877 -1.877
283 HA LYS 41 HA LYS 41 -16.410 0.025 0.025
284 1HB LYS 41 HB2 LYS 41 -17.745 -0.837 -0.837
285 2HB LYS 41 HB3 LYS 41 -16.290 -1.528 -1.528
286 1HG LYS 41 HG2 LYS 41 -16.780 0.688 0.688
287 2HG LYS 41 HG3 LYS 41 -15.248 0.710 0.710
288 1HD LYS 41 HD2 LYS 41 -16.306 2.704 2.704
289 2HD LYS 41 HD3 LYS 41 -16.586 1.593 1.593
290 1HE LYS 41 HE2 LYS 41 -18.584 2.091 2.091
291 2HE LYS 41 HE3 LYS 41 -18.643 2.898 2.898
292 1HZ LYS 41 HZ2 LYS 41 -18.469 0.333 0.333
293 2HZ LYS 41 HZ3 LYS 41 -19.350 0.215 0.215
294 3HZ LYS 41 HZ1 LYS 41 -19.873 1.155 1.155
295 H ARG 42 HN ARG 42 -14.499 1.009 1.009
296 HA ARG 42 HA ARG 42 -12.137 -0.409 -0.409
297 1HB ARG 42 HB2 ARG 42 -11.233 0.975 0.975
298 2HB ARG 42 HB3 ARG 42 -11.628 -0.732 -0.732
299 1HG ARG 42 HG2 ARG 42 -14.032 -0.113 -0.113
300 2HG ARG 42 HG3 ARG 42 -13.509 1.549 1.549
301 1HD ARG 42 HD2 ARG 42 -11.737 0.628 0.628
302 2HD ARG 42 HD3 ARG 42 -12.657 -0.864 -0.864
303 HE ARG 42 HE ARG 42 -14.489 1.277 1.277
304 1HH1 ARG 42 HH22 ARG 42 -11.833 -0.348 -0.348
305 2HH1 ARG 42 HH21 ARG 42 -12.429 0.002 0.002
306 1HH2 ARG 42 HH12 ARG 42 -15.277 1.738 1.738
307 2HH2 ARG 42 HH11 ARG 42 -14.401 1.196 1.196
308 H ILE 43 HN ILE 43 -12.676 1.226 1.226
309 HA ILE 43 HA ILE 43 -12.712 3.898 3.898
310 HB ILE 43 HB ILE 43 -11.925 1.922 1.922
311 1HG1 ILE 43 HG12 ILE 43 -13.062 3.657 3.657
312 2HG1 ILE 43 HG13 ILE 43 -13.353 4.589 4.589
313 1HG2 ILE 43 HG23 ILE 43 -9.781 3.112 3.112
314 2HG2 ILE 43 HG21 ILE 43 -10.628 4.653 4.653
315 3HG2 ILE 43 HG22 ILE 43 -10.647 3.385 3.385
316 1HD1 ILE 43 HD13 ILE 43 -14.083 1.728 1.728
317 2HD1 ILE 43 HD11 ILE 43 -15.020 2.603 2.603
318 3HD1 ILE 43 HD12 ILE 43 -15.004 3.184 3.184
319 H GLN 44 HN GLN 44 -11.240 5.633 5.633
320 HA GLN 44 HA GLN 44 -8.909 4.913 4.913
321 1HB GLN 44 HB2 GLN 44 -10.219 7.576 7.576
322 2HB GLN 44 HB3 GLN 44 -8.715 7.469 7.469
323 1HG GLN 44 HG2 GLN 44 -11.469 6.501 6.501
324 2HG GLN 44 HG3 GLN 44 -10.385 7.569 7.569
325 1HE2 GLN 44 HE22 GLN 44 -9.978 3.463 3.463
326 2HE2 GLN 44 HE21 GLN 44 -10.942 4.266 4.266
327 H TYR 45 HN TYR 45 -6.986 6.752 6.752
328 HA TYR 45 HA TYR 45 -6.558 6.660 6.660
329 1HB TYR 45 HB2 TYR 45 -5.121 5.337 5.337
330 2HB TYR 45 HB3 TYR 45 -4.057 6.182 6.182
331 HD1 TYR 45 HD2 TYR 45 -5.737 5.648 5.648
332 HD2 TYR 45 HD1 TYR 45 -4.388 3.111 3.111
333 HE1 TYR 45 HE2 TYR 45 -5.787 3.647 3.647
334 HE2 TYR 45 HE1 TYR 45 -4.443 1.120 1.120
335 HH TYR 45 HH TYR 45 -4.882 0.414 0.414
336 H GLU 46 HN GLU 46 -7.305 8.991 8.991
337 HA GLU 46 HA GLU 46 -5.659 10.612 10.612
338 1HB GLU 46 HB2 GLU 46 -8.070 10.955 10.955
339 2HB GLU 46 HB3 GLU 46 -7.131 11.727 11.727
340 1HG GLU 46 HG2 GLU 46 -6.147 13.301 13.301
341 2HG GLU 46 HG3 GLU 46 -6.870 12.452 12.452
342 H ILE 47 HN ILE 47 -3.522 9.669 9.669
343 HA ILE 47 HA ILE 47 -2.672 10.283 10.283
344 HB ILE 47 HB ILE 47 -0.481 9.568 9.568
345 1HG1 ILE 47 HG12 ILE 47 -1.800 9.796 9.796
346 2HG1 ILE 47 HG13 ILE 47 -0.238 10.392 10.392
347 1HG2 ILE 47 HG21 ILE 47 -2.843 8.038 8.038
348 2HG2 ILE 47 HG22 ILE 47 -1.938 7.421 7.421
349 3HG2 ILE 47 HG23 ILE 47 -1.161 7.488 7.488
350 1HD1 ILE 47 HD11 ILE 47 -0.183 7.559 7.559
351 2HD1 ILE 47 HD12 ILE 47 -0.877 7.851 7.851
352 3HD1 ILE 47 HD13 ILE 47 0.722 8.513 8.513
353 H LYS 48 HN LYS 48 -0.264 11.511 11.511
354 HA LYS 48 HA LYS 48 -0.869 14.105 14.105
355 1HB LYS 48 HB2 LYS 48 -1.032 13.765 13.765
356 2HB LYS 48 HB3 LYS 48 0.712 13.909 13.909
357 1HG LYS 48 HG2 LYS 48 -0.209 15.984 15.984
358 2HG LYS 48 HG3 LYS 48 -1.346 15.986 15.986
359 1HD LYS 48 HD2 LYS 48 1.654 16.410 16.410
360 2HD LYS 48 HD3 LYS 48 0.391 17.422 17.422
361 1HE LYS 48 HE2 LYS 48 -0.051 15.083 15.083
362 2HE LYS 48 HE3 LYS 48 1.683 14.989 14.989
363 1HZ LYS 48 HZ3 LYS 48 1.856 17.213 17.213
364 2HZ LYS 48 HZ1 LYS 48 0.243 17.265 17.265
365 3HZ LYS 48 HZ2 LYS 48 1.164 16.185 16.185
366 H GLN 49 HN GLN 49 0.844 11.463 11.463
367 HA GLN 49 HA GLN 49 2.909 10.957 10.957
368 1HB GLN 49 HB2 GLN 49 2.169 13.414 13.414
369 2HB GLN 49 HB3 GLN 49 3.694 12.600 12.600
370 1HG GLN 49 HG2 GLN 49 1.090 11.033 11.033
371 2HG GLN 49 HG3 GLN 49 1.591 11.865 11.865
372 1HE2 GLN 49 HE22 GLN 49 4.736 9.930 9.930
373 2HE2 GLN 49 HE21 GLN 49 4.256 11.590 11.590
374 H ILE 50 HN ILE 50 4.445 11.041 11.041
375 HA ILE 50 HA ILE 50 5.617 13.678 13.678
376 HB ILE 50 HB ILE 50 5.664 13.195 13.195
377 1HG1 ILE 50 HG12 ILE 50 6.739 10.534 10.534
378 2HG1 ILE 50 HG13 ILE 50 7.506 11.786 11.786
379 1HG2 ILE 50 HG23 ILE 50 3.371 12.415 12.415
380 2HG2 ILE 50 HG21 ILE 50 3.978 10.759 10.759
381 3HG2 ILE 50 HG22 ILE 50 3.892 11.880 11.880
382 1HD1 ILE 50 HD13 ILE 50 5.753 11.302 11.302
383 2HD1 ILE 50 HD11 ILE 50 5.310 9.863 9.863
384 3HD1 ILE 50 HD12 ILE 50 6.955 10.021 10.021
385 H LYS 51 HN LYS 51 6.189 10.306 10.306
386 HA LYS 51 HA LYS 51 8.812 11.139 11.139
387 1HB LYS 51 HB2 LYS 51 8.561 9.736 9.736
388 2HB LYS 51 HB3 LYS 51 8.949 8.495 8.495
389 1HG LYS 51 HG2 LYS 51 11.014 9.483 9.483
390 2HG LYS 51 HG3 LYS 51 10.513 11.083 11.083
391 1HD LYS 51 HD2 LYS 51 10.335 9.563 9.563
392 2HD LYS 51 HD3 LYS 51 11.764 8.920 8.920
393 1HE LYS 51 HE2 LYS 51 12.592 11.316 11.316
394 2HE LYS 51 HE3 LYS 51 11.229 11.853 11.853
395 1HZ LYS 51 HZ3 LYS 51 12.777 9.729 9.729
396 2HZ LYS 51 HZ1 LYS 51 13.558 11.157 11.157
397 3HZ LYS 51 HZ2 LYS 51 12.157 11.069 11.069
398 H MET 52 HN MET 52 9.732 9.465 9.465
399 HA MET 52 HA MET 52 7.687 7.733 7.733
400 1HB MET 52 HB2 MET 52 8.031 8.646 8.646
401 2HB MET 52 HB3 MET 52 7.456 9.907 9.907
402 1HG MET 52 HG2 MET 52 10.244 10.055 10.055
403 2HG MET 52 HG3 MET 52 10.048 9.680 9.680
404 1HE MET 52 HE3 MET 52 9.708 10.939 10.939
405 2HE MET 52 HE1 MET 52 8.116 11.734 11.734
406 3HE MET 52 HE2 MET 52 9.600 12.716 12.716
407 H PHE 53 HN PHE 53 9.348 6.287 6.287
408 HA PHE 53 HA PHE 53 11.925 5.988 5.988
409 1HB PHE 53 HB2 PHE 53 9.544 4.182 4.182
410 2HB PHE 53 HB3 PHE 53 10.960 3.378 3.378
411 HD1 PHE 53 HD2 PHE 53 13.197 4.475 4.475
412 HD2 PHE 53 HD1 PHE 53 9.302 3.654 3.654
413 HE1 PHE 53 HE2 PHE 53 14.125 4.230 4.230
414 HE2 PHE 53 HE1 PHE 53 10.232 3.410 3.410
415 HZ PHE 53 HZ PHE 53 12.632 3.701 3.701
416 H LYS 54 HN LYS 54 9.705 3.945 3.945
417 HA LYS 54 HA LYS 54 11.290 4.709 4.709
418 1HB LYS 54 HB2 LYS 54 11.796 2.379 2.379
419 2HB LYS 54 HB3 LYS 54 10.466 1.857 1.857
420 1HG LYS 54 HG2 LYS 54 12.459 1.511 1.511
421 2HG LYS 54 HG3 LYS 54 11.677 2.919 2.919
422 1HD LYS 54 HD2 LYS 54 13.347 3.935 3.935
423 2HD LYS 54 HD3 LYS 54 14.307 2.705 2.705
424 1HE LYS 54 HE2 LYS 54 12.944 5.098 5.098
425 2HE LYS 54 HE3 LYS 54 14.668 4.846 4.846
426 1HZ LYS 54 HZ2 LYS 54 13.803 2.617 2.617
427 2HZ LYS 54 HZ3 LYS 54 12.918 3.800 3.800
428 3HZ LYS 54 HZ1 LYS 54 14.550 3.884 3.884
429 H GLY 55 HN GLY 55 9.477 6.144 6.144
430 1HA GLY 55 HA1 GLY 55 7.143 4.648 4.648
431 2HA GLY 55 HA2 GLY 55 6.982 6.152 6.152
432 HA PRO 56 HA PRO 56 7.342 7.321 7.321
433 1HB PRO 56 HB2 PRO 56 5.162 8.965 8.965
434 2HB PRO 56 HB3 PRO 56 5.106 7.271 7.271
435 1HG PRO 56 HG2 PRO 56 4.090 8.578 8.578
436 2HG PRO 56 HG3 PRO 56 3.681 7.005 7.005
437 1HD PRO 56 HD2 PRO 56 5.413 7.542 7.542
438 2HD PRO 56 HD3 PRO 56 5.095 5.980 5.980
439 H GLU 57 HN GLU 57 6.976 9.796 9.796
440 HA GLU 57 HA GLU 57 8.852 11.193 11.193
441 1HB GLU 57 HB2 GLU 57 7.989 12.279 12.279
442 2HB GLU 57 HB3 GLU 57 9.568 12.320 12.320
443 1HG GLU 57 HG2 GLU 57 9.661 9.765 9.765
444 2HG GLU 57 HG3 GLU 57 8.225 9.921 9.921
445 H LYS 58 HN LYS 58 5.533 11.363 11.363
446 HA LYS 58 HA LYS 58 5.112 14.064 14.064
447 1HB LYS 58 HB2 LYS 58 3.896 12.504 12.504
448 2HB LYS 58 HB3 LYS 58 2.865 12.126 12.126
449 1HG LYS 58 HG2 LYS 58 1.799 14.119 14.119
450 2HG LYS 58 HG3 LYS 58 3.314 14.990 14.990
451 1HD LYS 58 HD2 LYS 58 2.529 13.669 13.669
452 2HD LYS 58 HD3 LYS 58 1.881 15.240 15.240
453 1HE LYS 58 HE2 LYS 58 4.521 15.696 15.696
454 2HE LYS 58 HE3 LYS 58 4.691 14.473 14.473
455 1HZ LYS 58 HZ2 LYS 58 2.754 16.218 16.218
456 2HZ LYS 58 HZ3 LYS 58 3.964 17.151 17.151
457 3HZ LYS 58 HZ1 LYS 58 4.268 16.047 16.047
458 H ASP 59 HN ASP 59 3.268 11.185 11.185
459 HA ASP 59 HA ASP 59 3.953 10.846 10.846
460 1HB ASP 59 HB2 ASP 59 4.108 13.173 13.173
461 2HB ASP 59 HB3 ASP 59 2.557 13.546 13.546
462 H ILE 60 HN ILE 60 2.006 10.239 10.239
463 HA ILE 60 HA ILE 60 -0.283 9.566 9.566
464 HB ILE 60 HB ILE 60 0.272 8.194 8.194
465 1HG1 ILE 60 HG12 ILE 60 2.452 8.388 8.388
466 2HG1 ILE 60 HG13 ILE 60 1.937 6.783 6.783
467 1HG2 ILE 60 HG21 ILE 60 -1.733 7.889 7.889
468 2HG2 ILE 60 HG22 ILE 60 -0.561 6.867 6.867
469 3HG2 ILE 60 HG23 ILE 60 -0.995 6.491 6.491
470 1HD1 ILE 60 HD13 ILE 60 1.128 7.892 7.892
471 2HD1 ILE 60 HD11 ILE 60 2.731 7.155 7.155
472 3HD1 ILE 60 HD12 ILE 60 1.258 6.194 6.194
473 H GLU 61 HN GLU 61 0.141 9.783 9.783
474 HA GLU 61 HA GLU 61 -0.838 11.028 11.028
475 1HB GLU 61 HB2 GLU 61 -1.060 12.724 12.724
476 2HB GLU 61 HB3 GLU 61 -2.484 12.915 12.915
477 1HG GLU 61 HG2 GLU 61 -1.312 13.892 13.892
478 2HG GLU 61 HG3 GLU 61 0.080 12.848 12.848
479 H PHE 62 HN PHE 62 -2.408 9.278 9.278
480 HA PHE 62 HA PHE 62 -4.747 8.993 8.993
481 1HB PHE 62 HB2 PHE 62 -4.534 10.173 10.173
482 2HB PHE 62 HB3 PHE 62 -5.667 8.836 8.836
483 HD1 PHE 62 HD1 PHE 62 -7.381 8.931 8.931
484 HD2 PHE 62 HD2 PHE 62 -5.330 12.284 12.284
485 HE1 PHE 62 HE1 PHE 62 -9.144 10.454 10.454
486 HE2 PHE 62 HE2 PHE 62 -7.093 13.808 13.808
487 HZ PHE 62 HZ PHE 62 -8.978 12.875 12.875
488 H ILE 63 HN ILE 63 -4.174 6.895 6.895
489 HA ILE 63 HA ILE 63 -3.627 5.011 5.011
490 HB ILE 63 HB ILE 63 -3.410 4.315 4.315
491 1HG1 ILE 63 HG12 ILE 63 -2.289 6.656 6.656
492 2HG1 ILE 63 HG13 ILE 63 -1.626 5.598 5.598
493 1HG2 ILE 63 HG21 ILE 63 -2.212 3.437 3.437
494 2HG2 ILE 63 HG22 ILE 63 -1.289 3.205 3.205
495 3HG2 ILE 63 HG23 ILE 63 -2.903 2.474 2.474
496 1HD1 ILE 63 HD11 ILE 63 -0.886 5.270 5.270
497 2HD1 ILE 63 HD12 ILE 63 -0.013 6.391 6.391
498 3HD1 ILE 63 HD13 ILE 63 -0.027 4.647 4.647
499 H TYR 64 HN TYR 64 -4.610 2.721 2.721
500 HA TYR 64 HA TYR 64 -7.391 3.107 3.107
501 1HB TYR 64 HB2 TYR 64 -7.678 2.748 2.748
502 2HB TYR 64 HB3 TYR 64 -6.056 2.110 2.110
503 HD1 TYR 64 HD2 TYR 64 -5.687 -0.315 -0.315
504 HD2 TYR 64 HD1 TYR 64 -9.480 1.301 1.301
505 HE1 TYR 64 HE2 TYR 64 -6.640 -2.665 -2.665
506 HE2 TYR 64 HE1 TYR 64 -10.419 -1.053 -1.053
507 HH TYR 64 HH TYR 64 -8.325 -3.864 -3.864
508 H THR 65 HN THR 65 -8.424 1.277 1.277
509 HA THR 65 HA THR 65 -7.042 -1.174 -1.174
510 HB THR 65 HB THR 65 -5.668 0.281 0.281
511 HG1 THR 65 HG1 THR 65 -6.446 -2.001 -2.001
512 1HG2 THR 65 HG22 THR 65 -8.420 0.917 0.917
513 2HG2 THR 65 HG23 THR 65 -7.004 0.898 0.898
514 3HG2 THR 65 HG21 THR 65 -7.059 2.024 2.024
515 H ALA 66 HN ALA 66 -8.257 -1.954 -1.954
516 HA ALA 66 HA ALA 66 -11.059 -1.878 -1.878
517 1HB ALA 66 HB2 ALA 66 -9.223 -3.983 -3.983
518 2HB ALA 66 HB3 ALA 66 -10.748 -3.974 -3.974
519 3HB ALA 66 HB1 ALA 66 -10.779 -4.117 -4.117
520 HA PRO 67 HA PRO 67 -12.072 0.061 0.061
521 1HB PRO 67 HB2 PRO 67 -14.672 -0.707 -0.707
522 2HB PRO 67 HB3 PRO 67 -14.187 0.574 0.574
523 1HG PRO 67 HG2 PRO 67 -15.042 -2.183 -2.183
524 2HG PRO 67 HG3 PRO 67 -14.968 -0.786 -0.786
525 1HD PRO 67 HD2 PRO 67 -13.111 -2.971 -2.971
526 2HD PRO 67 HD3 PRO 67 -12.975 -1.518 -1.518
527 H SER 68 HN SER 68 -13.866 -0.704 -0.704
528 HA SER 68 HA SER 68 -13.846 -1.786 -1.786
529 1HB SER 68 HB2 SER 68 -13.378 -3.906 -3.906
530 2HB SER 68 HB3 SER 68 -12.837 -4.351 -4.351
531 HG SER 68 HG SER 68 -15.037 -4.943 -4.943
532 H SER 69 HN SER 69 -12.132 -3.707 -3.707
533 HA SER 69 HA SER 69 -9.901 -2.045 -2.045
534 1HB SER 69 HB2 SER 69 -11.282 -3.798 -3.798
535 2HB SER 69 HB3 SER 69 -10.003 -4.877 -4.877
536 HG SER 69 HG SER 69 -8.789 -3.978 -3.978
537 H ALA 70 HN ALA 70 -9.712 -2.565 -2.565
538 HA ALA 70 HA ALA 70 -8.278 -3.238 -3.238
539 1HB ALA 70 HB2 ALA 70 -6.767 -3.185 -3.185
540 2HB ALA 70 HB3 ALA 70 -6.350 -4.721 -4.721
541 3HB ALA 70 HB1 ALA 70 -6.148 -3.184 -3.184
542 H VAL 71 HN VAL 71 -9.522 -4.694 -4.694
543 HA VAL 71 HA VAL 71 -9.505 -7.454 -7.454
544 HB VAL 71 HB VAL 71 -11.617 -7.703 -7.703
545 1HG1 VAL 71 HG12 VAL 71 -11.416 -5.525 -5.525
546 2HG1 VAL 71 HG13 VAL 71 -11.815 -4.698 -4.698
547 3HG1 VAL 71 HG11 VAL 71 -12.950 -5.880 -5.880
548 1HG2 VAL 71 HG22 VAL 71 -10.787 -5.970 -5.970
549 2HG2 VAL 71 HG23 VAL 71 -11.452 -7.621 -7.621
550 3HG2 VAL 71 HG21 VAL 71 -12.517 -6.232 -6.232
551 H CYS 72 HN CYS 72 -8.808 -5.251 -5.251
552 HA CYS 72 HA CYS 72 -7.472 -7.514 -7.514
553 1HB CYS 72 HB2 CYS 72 -8.771 -5.252 -5.252
554 2HB CYS 72 HB3 CYS 72 -8.089 -6.732 -6.732
555 H GLY 73 HN GLY 73 -6.982 -4.923 -4.923
556 1HA GLY 73 HA1 GLY 73 -4.451 -4.252 -4.252
557 2HA GLY 73 HA2 GLY 73 -5.578 -2.940 -2.940
558 H VAL 74 HN VAL 74 -4.210 -1.888 -1.888
559 HA VAL 74 HA VAL 74 -3.967 -3.362 -3.362
560 HB VAL 74 HB VAL 74 -2.164 -1.253 -1.253
561 1HG1 VAL 74 HG13 VAL 74 -2.113 -2.613 -2.613
562 2HG1 VAL 74 HG11 VAL 74 -0.710 -1.776 -1.776
563 3HG1 VAL 74 HG12 VAL 74 -2.202 -0.871 -0.871
564 1HG2 VAL 74 HG23 VAL 74 -2.147 -3.771 -3.771
565 2HG2 VAL 74 HG21 VAL 74 -0.622 -2.907 -2.907
566 3HG2 VAL 74 HG22 VAL 74 -1.279 -4.020 -4.020
567 H SER 75 HN SER 75 -5.866 -1.209 -1.209
568 HA SER 75 HA SER 75 -6.802 0.755 0.755
569 1HB SER 75 HB2 SER 75 -8.447 0.420 0.420
570 2HB SER 75 HB3 SER 75 -8.273 -1.048 -1.048
571 HG SER 75 HG SER 75 -6.508 -0.900 -0.900
572 H LEU 76 HN LEU 76 -4.933 2.164 2.164
573 HA LEU 76 HA LEU 76 -4.183 2.534 2.534
574 1HB LEU 76 HB2 LEU 76 -2.673 3.948 3.948
575 2HB LEU 76 HB3 LEU 76 -2.115 3.087 3.087
576 HG LEU 76 HG LEU 76 -2.974 1.007 1.007
577 1HD1 LEU 76 HD12 LEU 76 -3.030 3.138 3.138
578 2HD1 LEU 76 HD13 LEU 76 -1.473 2.343 2.343
579 3HD1 LEU 76 HD11 LEU 76 -2.986 1.408 1.408
580 1HD2 LEU 76 HD22 LEU 76 -0.541 2.026 2.026
581 2HD2 LEU 76 HD23 LEU 76 -0.896 0.377 0.377
582 3HD2 LEU 76 HD21 LEU 76 -0.248 1.587 1.587
583 H ASP 77 HN ASP 77 -4.783 4.346 4.346
584 HA ASP 77 HA ASP 77 -6.083 6.389 6.389
585 1HB ASP 77 HB2 ASP 77 -7.098 6.899 6.899
586 2HB ASP 77 HB3 ASP 77 -7.835 5.736 5.736
587 H VAL 78 HN VAL 78 -3.376 5.565 5.565
588 HA VAL 78 HA VAL 78 -1.648 6.767 6.767
589 HB VAL 78 HB VAL 78 -3.245 8.816 8.816
590 1HG1 VAL 78 HG12 VAL 78 -1.418 9.497 9.497
591 2HG1 VAL 78 HG13 VAL 78 -1.473 10.557 10.557
592 3HG1 VAL 78 HG11 VAL 78 -2.955 10.248 10.248
593 1HG2 VAL 78 HG21 VAL 78 -0.663 7.466 7.466
594 2HG2 VAL 78 HG22 VAL 78 -1.643 8.259 8.259
595 3HG2 VAL 78 HG23 VAL 78 -0.531 9.223 9.223
596 H GLY 79 HN GLY 79 -4.959 7.554 7.554
597 1HA GLY 79 HA1 GLY 79 -4.411 8.983 8.983
598 2HA GLY 79 HA2 GLY 79 -5.861 8.066 8.066
599 H GLY 80 HN GLY 80 -3.679 5.717 5.717
600 1HA GLY 80 HA1 GLY 80 -3.409 5.037 5.037
601 2HA GLY 80 HA2 GLY 80 -4.008 3.892 3.892
602 H LYS 81 HN LYS 81 -2.224 4.800 4.800
603 HA LYS 81 HA LYS 81 0.183 3.464 3.464
604 1HB LYS 81 HB2 LYS 81 0.415 3.767 3.767
605 2HB LYS 81 HB3 LYS 81 -0.118 2.331 2.331
606 1HG LYS 81 HG2 LYS 81 -2.030 4.573 4.573
607 2HG LYS 81 HG3 LYS 81 -1.693 3.211 3.211
608 1HD LYS 81 HD2 LYS 81 -2.988 1.786 1.786
609 2HD LYS 81 HD3 LYS 81 -2.347 2.370 2.370
610 1HE LYS 81 HE2 LYS 81 -4.116 3.774 3.774
611 2HE LYS 81 HE3 LYS 81 -4.023 4.405 4.405
612 1HZ LYS 81 HZ3 LYS 81 -5.031 1.710 1.710
613 2HZ LYS 81 HZ1 LYS 81 -6.007 2.944 2.944
614 3HZ LYS 81 HZ2 LYS 81 -5.453 2.847 2.847
615 H LYS 82 HN LYS 82 0.345 5.523 5.523
616 HA LYS 82 HA LYS 82 0.924 7.969 7.969
617 1HB LYS 82 HB2 LYS 82 3.477 7.879 7.879
618 2HB LYS 82 HB3 LYS 82 2.533 7.328 7.328
619 1HG LYS 82 HG2 LYS 82 2.829 5.025 5.025
620 2HG LYS 82 HG3 LYS 82 4.390 5.818 5.818
621 1HD LYS 82 HD2 LYS 82 4.901 5.112 5.112
622 2HD LYS 82 HD3 LYS 82 3.503 5.945 5.945
623 1HE LYS 82 HE2 LYS 82 2.126 4.036 4.036
624 2HE LYS 82 HE3 LYS 82 3.069 3.307 3.307
625 1HZ LYS 82 HZ3 LYS 82 4.835 2.940 2.940
626 2HZ LYS 82 HZ1 LYS 82 3.947 3.610 3.610
627 3HZ LYS 82 HZ2 LYS 82 3.456 2.219 2.219
628 H GLU 83 HN GLU 83 2.891 5.541 5.541
629 HA GLU 83 HA GLU 83 1.966 6.646 6.646
630 1HB GLU 83 HB2 GLU 83 4.667 6.999 6.999
631 2HB GLU 83 HB3 GLU 83 3.521 8.287 8.287
632 1HG GLU 83 HG2 GLU 83 4.030 8.140 8.140
633 2HG GLU 83 HG3 GLU 83 5.175 6.851 6.851
634 H TYR 84 HN TYR 84 3.156 5.524 5.524
635 HA TYR 84 HA TYR 84 4.464 3.050 3.050
636 1HB TYR 84 HB2 TYR 84 2.715 1.813 1.813
637 2HB TYR 84 HB3 TYR 84 2.044 2.496 2.496
638 HD1 TYR 84 HD2 TYR 84 2.677 3.614 3.614
639 HD2 TYR 84 HD1 TYR 84 -0.012 3.536 3.536
640 HE1 TYR 84 HE2 TYR 84 0.937 4.864 4.864
641 HE2 TYR 84 HE1 TYR 84 -1.743 4.786 4.786
642 HH TYR 84 HH TYR 84 -1.977 4.888 4.888
643 H LEU 85 HN LEU 85 5.549 2.010 2.010
644 HA LEU 85 HA LEU 85 6.272 3.930 3.930
645 1HB LEU 85 HB2 LEU 85 7.934 2.205 2.205
646 2HB LEU 85 HB3 LEU 85 8.054 2.778 2.778
647 HG LEU 85 HG LEU 85 8.278 0.224 0.224
648 1HD1 LEU 85 HD13 LEU 85 7.993 1.609 1.609
649 2HD1 LEU 85 HD11 LEU 85 6.531 0.596 0.596
650 3HD1 LEU 85 HD12 LEU 85 8.134 -0.165 -0.165
651 1HD2 LEU 85 HD22 LEU 85 5.273 0.538 0.538
652 2HD2 LEU 85 HD23 LEU 85 6.182 -0.021 -0.021
653 3HD2 LEU 85 HD21 LEU 85 6.159 -1.005 -1.005
654 H ILE 86 HN ILE 86 3.619 2.081 2.081
655 HA ILE 86 HA ILE 86 2.668 0.493 0.493
656 HB ILE 86 HB ILE 86 2.080 3.307 3.307
657 1HG1 ILE 86 HG12 ILE 86 -0.181 2.548 2.548
658 2HG1 ILE 86 HG13 ILE 86 0.221 0.960 0.960
659 1HG2 ILE 86 HG23 ILE 86 1.759 1.770 1.770
660 2HG2 ILE 86 HG21 ILE 86 0.627 3.069 3.069
661 3HG2 ILE 86 HG22 ILE 86 2.362 3.424 3.424
662 1HD1 ILE 86 HD11 ILE 86 1.925 1.561 1.561
663 2HD1 ILE 86 HD12 ILE 86 0.215 1.794 1.794
664 3HD1 ILE 86 HD13 ILE 86 0.764 0.228 0.228
665 H ALA 87 HN ALA 87 3.770 -0.901 -0.901
666 HA ALA 87 HA ALA 87 4.801 0.233 0.233
667 1HB ALA 87 HB3 ALA 87 6.246 -1.129 -1.129
668 2HB ALA 87 HB1 ALA 87 6.389 -2.001 -2.001
669 3HB ALA 87 HB2 ALA 87 6.875 -0.292 -0.292
670 H GLY 88 HN GLY 88 3.434 -0.512 -0.512
671 1HA GLY 88 HA1 GLY 88 2.899 -3.397 -3.397
672 2HA GLY 88 HA2 GLY 88 1.536 -2.295 -2.295
673 H LYS 89 HN LYS 89 1.531 -3.801 -3.801
674 HA LYS 89 HA LYS 89 3.164 -3.291 -3.291
675 1HB LYS 89 HB2 LYS 89 1.219 -3.903 -3.903
676 2HB LYS 89 HB3 LYS 89 1.487 -5.005 -5.005
677 1HG LYS 89 HG2 LYS 89 -0.228 -3.048 -3.048
678 2HG LYS 89 HG3 LYS 89 -0.828 -3.269 -3.269
679 1HD LYS 89 HD2 LYS 89 -1.330 -5.548 -5.548
680 2HD LYS 89 HD3 LYS 89 -0.169 -5.722 -5.722
681 1HE LYS 89 HE2 LYS 89 -1.861 -5.414 -5.414
682 2HE LYS 89 HE3 LYS 89 -1.986 -3.755 -3.755
683 1HZ LYS 89 HZ3 LYS 89 -3.291 -5.921 -5.921
684 2HZ LYS 89 HZ1 LYS 89 -4.015 -5.218 -5.218
685 3HZ LYS 89 HZ2 LYS 89 -3.633 -4.324 -4.324
686 H ALA 90 HN ALA 90 0.504 -1.271 -1.271
687 HA ALA 90 HA ALA 90 0.285 0.959 0.959
688 1HB ALA 90 HB1 ALA 90 2.818 0.853 0.853
689 2HB ALA 90 HB2 ALA 90 2.179 1.108 1.108
690 3HB ALA 90 HB3 ALA 90 1.861 2.309 2.309
691 H GLU 91 HN GLU 91 -0.459 2.591 2.591
692 HA GLU 91 HA GLU 91 -1.798 0.996 0.996
693 1HB GLU 91 HB2 GLU 91 -3.242 1.679 1.679
694 2HB GLU 91 HB3 GLU 91 -3.279 3.259 3.259
695 1HG GLU 91 HG2 GLU 91 -5.237 1.849 1.849
696 2HG GLU 91 HG3 GLU 91 -4.269 2.323 2.323
697 H GLY 92 HN GLY 92 0.453 3.256 3.256
698 1HA GLY 92 HA1 GLY 92 1.180 4.304 4.304
699 2HA GLY 92 HA2 GLY 92 -0.414 5.028 5.028
700 H ASP 93 HN ASP 93 -0.440 7.131 7.131
701 HA ASP 93 HA ASP 93 1.288 7.802 7.802
702 1HB ASP 93 HB2 ASP 93 1.024 9.075 9.075
703 2HB ASP 93 HB3 ASP 93 1.109 10.184 10.184
704 H GLY 94 HN GLY 94 0.341 9.377 9.377
705 1HA GLY 94 HA1 GLY 94 -1.259 10.727 10.727
706 2HA GLY 94 HA2 GLY 94 -2.144 10.677 10.677
707 H LYS 95 HN LYS 95 -1.515 7.474 7.474
708 HA LYS 95 HA LYS 95 -3.189 6.816 6.816
709 1HB LYS 95 HB2 LYS 95 -5.267 6.335 6.335
710 2HB LYS 95 HB3 LYS 95 -4.863 7.901 7.901
711 1HG LYS 95 HG2 LYS 95 -4.161 5.329 5.329
712 2HG LYS 95 HG3 LYS 95 -5.747 6.057 6.057
713 1HD LYS 95 HD2 LYS 95 -4.952 7.893 7.893
714 2HD LYS 95 HD3 LYS 95 -3.406 7.900 7.900
715 1HE LYS 95 HE2 LYS 95 -2.449 6.709 6.709
716 2HE LYS 95 HE3 LYS 95 -3.629 5.426 5.426
717 1HZ LYS 95 HZ3 LYS 95 -5.023 7.362 7.362
718 2HZ LYS 95 HZ1 LYS 95 -3.549 7.530 7.530
719 3HZ LYS 95 HZ2 LYS 95 -4.322 6.094 6.094
720 H MET 96 HN MET 96 -3.149 4.566 4.566
721 HA MET 96 HA MET 96 -2.042 2.941 2.941
722 1HB MET 96 HB2 MET 96 -0.510 2.025 2.025
723 2HB MET 96 HB3 MET 96 0.052 3.266 3.266
724 1HG MET 96 HG2 MET 96 -0.083 4.926 4.926
725 2HG MET 96 HG3 MET 96 -1.596 4.325 4.325
726 1HE MET 96 HE1 MET 96 2.119 4.308 4.308
727 2HE MET 96 HE2 MET 96 1.644 5.187 5.187
728 3HE MET 96 HE3 MET 96 2.574 3.674 3.674
729 H HIS 97 HN HIS 97 -1.531 0.604 0.604
730 HA HIS 97 HA HIS 97 -4.075 0.153 0.153
731 1HB HIS 97 HB2 HIS 97 -3.079 -1.092 -1.092
732 2HB HIS 97 HB3 HIS 97 -3.518 -2.262 -2.262
733 HD1 HIS 97 HD1 HIS 97 -5.418 -2.751 -2.751
734 HD2 HIS 97 HD2 HIS 97 -5.850 0.724 0.724
735 HE1 HIS 97 HE1 HIS 97 -7.844 -2.009 -2.009
736 H ILE 98 HN ILE 98 -3.854 -0.830 -0.830
737 HA ILE 98 HA ILE 98 -1.437 -2.391 -2.391
738 HB ILE 98 HB ILE 98 -0.878 -1.242 -1.242
739 1HG1 ILE 98 HG12 ILE 98 -3.427 0.304 0.304
740 2HG1 ILE 98 HG13 ILE 98 -2.950 -0.627 -0.627
741 1HG2 ILE 98 HG21 ILE 98 -0.354 -0.284 -0.284
742 2HG2 ILE 98 HG22 ILE 98 -1.272 1.104 1.104
743 3HG2 ILE 98 HG23 ILE 98 0.184 0.534 0.534
744 1HD1 ILE 98 HD13 ILE 98 -1.055 1.552 1.552
745 2HD1 ILE 98 HD11 ILE 98 -2.675 2.103 2.103
746 3HD1 ILE 98 HD12 ILE 98 -1.709 1.085 1.085
747 H THR 99 HN THR 99 -1.736 -4.103 -4.103
748 HA THR 99 HA THR 99 -4.347 -4.260 -4.260
749 HB THR 99 HB THR 99 -4.160 -6.794 -6.794
750 HG1 THR 99 HG1 THR 99 -3.296 -6.394 -6.394
751 1HG2 THR 99 HG22 THR 99 -5.183 -4.315 -4.315
752 2HG2 THR 99 HG23 THR 99 -5.301 -5.919 -5.919
753 3HG2 THR 99 HG21 THR 99 -6.125 -5.606 -5.606
754 H LEU 100 HN LEU 100 -4.418 -6.108 -6.108
755 HA LEU 100 HA LEU 100 -2.273 -5.833 -5.833
756 1HB LEU 100 HB2 LEU 100 -3.467 -7.160 -7.160
757 2HB LEU 100 HB3 LEU 100 -4.727 -6.512 -6.512
758 HG LEU 100 HG LEU 100 -3.486 -9.202 -9.202
759 1HD1 LEU 100 HD13 LEU 100 -5.526 -8.495 -8.495
760 2HD1 LEU 100 HD11 LEU 100 -5.631 -10.051 -10.051
761 3HD1 LEU 100 HD12 LEU 100 -4.169 -9.645 -9.645
762 1HD2 LEU 100 HD23 LEU 100 -5.497 -7.586 -7.586
763 2HD2 LEU 100 HD21 LEU 100 -4.879 -9.182 -9.182
764 3HD2 LEU 100 HD22 LEU 100 -6.257 -9.067 -9.067
765 H CYS 101 HN CYS 101 -3.142 -8.483 -8.483
766 HA CYS 101 HA CYS 101 -1.035 -10.150 -10.150
767 1HB CYS 101 HB2 CYS 101 -3.153 -10.522 -10.522
768 2HB CYS 101 HB3 CYS 101 -2.099 -10.027 -10.027
769 H ASP 102 HN ASP 102 -1.268 -7.194 -7.194
770 HA ASP 102 HA ASP 102 1.156 -7.627 -7.627
771 1HB ASP 102 HB2 ASP 102 -0.938 -6.019 -6.019
772 2HB ASP 102 HB3 ASP 102 -0.007 -4.879 -4.879
773 H PHE 103 HN PHE 103 3.011 -5.893 -5.893
774 HA PHE 103 HA PHE 103 3.890 -5.968 -5.968
775 1HB PHE 103 HB2 PHE 103 5.496 -6.047 -6.047
776 2HB PHE 103 HB3 PHE 103 4.744 -4.696 -4.696
777 HD1 PHE 103 HD2 PHE 103 5.239 -4.366 -4.366
778 HD2 PHE 103 HD1 PHE 103 7.013 -3.720 -3.720
779 HE1 PHE 103 HE2 PHE 103 6.905 -2.804 -2.804
780 HE2 PHE 103 HE1 PHE 103 8.678 -2.158 -2.158
781 HZ PHE 103 HZ PHE 103 8.604 -1.719 -1.719
782 H ILE 104 HN ILE 104 3.306 -4.624 -4.624
783 HA ILE 104 HA ILE 104 3.290 -1.816 -1.816
784 HB ILE 104 HB ILE 104 0.836 -1.652 -1.652
785 1HG1 ILE 104 HG12 ILE 104 0.746 -4.334 -4.334
786 2HG1 ILE 104 HG13 ILE 104 0.505 -4.081 -4.081
787 1HG2 ILE 104 HG21 ILE 104 2.080 -1.223 -1.223
788 2HG2 ILE 104 HG22 ILE 104 0.813 -2.377 -2.377
789 3HG2 ILE 104 HG23 ILE 104 0.369 -0.857 -0.857
790 1HD1 ILE 104 HD11 ILE 104 -1.405 -2.487 -2.487
791 2HD1 ILE 104 HD12 ILE 104 -1.229 -3.031 -3.031
792 3HD1 ILE 104 HD13 ILE 104 -1.687 -4.194 -4.194
793 H VAL 105 HN VAL 105 3.733 -0.813 -0.813
794 HA VAL 105 HA VAL 105 3.047 -2.140 -2.140
795 HB VAL 105 HB VAL 105 5.706 -1.676 -1.676
796 1HG1 VAL 105 HG12 VAL 105 3.998 -3.700 -3.700
797 2HG1 VAL 105 HG13 VAL 105 4.953 -4.408 -4.408
798 3HG1 VAL 105 HG11 VAL 105 5.759 -3.889 -3.889
799 1HG2 VAL 105 HG23 VAL 105 5.438 -2.839 -2.839
800 2HG2 VAL 105 HG21 VAL 105 6.264 -1.333 -1.333
801 3HG2 VAL 105 HG22 VAL 105 6.919 -2.904 -2.904
802 HA PRO 106 HA PRO 106 3.028 1.985 1.985
803 1HB PRO 106 HB2 PRO 106 3.430 1.787 1.787
804 2HB PRO 106 HB3 PRO 106 1.883 1.477 1.477
805 1HG PRO 106 HG2 PRO 106 3.831 -0.458 -0.458
806 2HG PRO 106 HG3 PRO 106 2.136 -0.699 -0.699
807 1HD PRO 106 HD2 PRO 106 4.374 -1.591 -1.591
808 2HD PRO 106 HD3 PRO 106 2.680 -1.729 -1.729
809 H TRP 107 HN TRP 107 5.734 0.498 0.498
810 HA TRP 107 HA TRP 107 7.816 1.228 1.228
811 1HB TRP 107 HB2 TRP 107 6.774 3.400 3.400
812 2HB TRP 107 HB3 TRP 107 6.867 3.885 3.885
813 HD1 TRP 107 HD1 TRP 107 9.535 2.466 2.466
814 HE1 TRP 107 HE1 TRP 107 11.769 3.861 3.861
815 HE3 TRP 107 HE3 TRP 107 7.895 5.677 5.677
816 HZ2 TRP 107 HZ2 TRP 107 12.583 6.101 6.101
817 HZ3 TRP 107 HZ3 TRP 107 9.472 7.439 7.439
818 HH2 TRP 107 HH2 TRP 107 11.744 7.680 7.680
819 H ASP 108 HN ASP 108 6.504 2.809 2.809
820 HA ASP 108 HA ASP 108 8.827 2.253 2.253
821 1HB ASP 108 HB2 ASP 108 7.088 4.039 4.039
822 2HB ASP 108 HB3 ASP 108 6.008 2.773 2.773
823 H THR 109 HN THR 109 8.397 -0.190 -0.190
824 HA THR 109 HA THR 109 7.822 -1.842 -1.842
825 HB THR 109 HB THR 109 6.073 -3.144 -3.144
826 HG1 THR 109 HG1 THR 109 6.268 -1.838 -1.838
827 1HG2 THR 109 HG23 THR 109 5.558 -1.733 -1.733
828 2HG2 THR 109 HG21 THR 109 5.164 -0.411 -0.411
829 3HG2 THR 109 HG22 THR 109 4.233 -1.927 -1.927
830 H LEU 110 HN LEU 110 8.171 -1.832 -1.832
831 HA LEU 110 HA LEU 110 9.072 -3.740 -3.740
832 1HB LEU 110 HB2 LEU 110 11.295 -1.899 -1.899
833 2HB LEU 110 HB3 LEU 110 11.353 -2.990 -2.990
834 HG LEU 110 HG LEU 110 9.433 -0.661 -0.661
835 1HD1 LEU 110 HD12 LEU 110 11.935 -0.140 -0.140
836 2HD1 LEU 110 HD13 LEU 110 11.777 -0.793 -0.793
837 3HD1 LEU 110 HD11 LEU 110 10.808 0.616 0.616
838 1HD2 LEU 110 HD21 LEU 110 9.349 -2.943 -2.943
839 2HD2 LEU 110 HD22 LEU 110 8.310 -1.499 -1.499
840 3HD2 LEU 110 HD23 LEU 110 9.796 -1.550 -1.550
841 H SER 111 HN SER 111 12.085 -3.398 -3.398
842 HA SER 111 HA SER 111 12.190 -4.763 -4.763
843 1HB SER 111 HB2 SER 111 11.183 -6.679 -6.679
844 2HB SER 111 HB3 SER 111 12.355 -7.296 -7.296
845 HG SER 111 HG SER 111 10.444 -7.642 -7.642
846 H THR 112 HN THR 112 13.165 -5.171 -5.171
847 HA THR 112 HA THR 112 15.671 -4.302 -4.302
848 HB THR 112 HB THR 112 15.446 -6.894 -6.894
849 HG1 THR 112 HG1 THR 112 16.573 -5.405 -5.405
850 1HG2 THR 112 HG23 THR 112 17.597 -6.340 -6.340
851 2HG2 THR 112 HG21 THR 112 17.900 -7.369 -7.369
852 3HG2 THR 112 HG22 THR 112 16.663 -7.837 -7.837
853 H THR 113 HN THR 113 14.426 -7.597 -7.597
854 HA THR 113 HA THR 113 15.604 -7.710 -7.710
855 HB THR 113 HB THR 113 12.988 -8.838 -8.838
856 HG1 THR 113 HG1 THR 113 15.628 -9.940 -9.940
857 1HG2 THR 113 HG21 THR 113 13.084 -8.869 -8.869
858 2HG2 THR 113 HG22 THR 113 14.572 -9.832 -9.832
859 3HG2 THR 113 HG23 THR 113 13.030 -10.471 -10.471
860 H GLN 114 HN GLN 114 12.895 -5.728 -5.728
861 HA GLN 114 HA GLN 114 12.059 -5.266 -5.266
862 1HB GLN 114 HB2 GLN 114 11.168 -4.350 -4.350
863 2HB GLN 114 HB3 GLN 114 10.666 -3.419 -3.419
864 1HG GLN 114 HG2 GLN 114 8.929 -4.939 -4.939
865 2HG GLN 114 HG3 GLN 114 10.065 -5.880 -5.880
866 1HE2 GLN 114 HE22 GLN 114 11.062 -8.026 -8.026
867 2HE2 GLN 114 HE21 GLN 114 11.723 -7.101 -7.101
868 H LYS 115 HN LYS 115 14.027 -3.689 -3.689
869 HA LYS 115 HA LYS 115 14.218 -1.198 -1.198
870 1HB LYS 115 HB2 LYS 115 15.278 -2.478 -2.478
871 2HB LYS 115 HB3 LYS 115 16.430 -1.401 -1.401
872 1HG LYS 115 HG2 LYS 115 15.120 0.490 0.490
873 2HG LYS 115 HG3 LYS 115 13.612 -0.392 -0.392
874 1HD LYS 115 HD2 LYS 115 15.507 -0.343 -0.343
875 2HD LYS 115 HD3 LYS 115 13.876 0.294 0.294
876 1HE LYS 115 HE2 LYS 115 13.183 -2.183 -2.183
877 2HE LYS 115 HE3 LYS 115 14.761 -2.611 -2.611
878 1HZ LYS 115 HZ3 LYS 115 14.015 -1.151 -1.151
879 2HZ LYS 115 HZ1 LYS 115 12.506 -1.427 -1.427
880 3HZ LYS 115 HZ2 LYS 115 13.456 -2.680 -2.680
881 H LYS 116 HN LYS 116 16.179 -4.219 -4.219
882 HA LYS 116 HA LYS 116 18.305 -3.199 -3.199
883 1HB LYS 116 HB2 LYS 116 19.043 -5.432 -5.432
884 2HB LYS 116 HB3 LYS 116 18.244 -5.305 -5.305
885 1HG LYS 116 HG2 LYS 116 16.958 -7.072 -7.072
886 2HG LYS 116 HG3 LYS 116 16.160 -6.011 -6.011
887 1HD LYS 116 HD2 LYS 116 18.789 -7.140 -7.140
888 2HD LYS 116 HD3 LYS 116 17.481 -8.295 -8.295
889 1HE LYS 116 HE2 LYS 116 16.619 -7.602 -7.602
890 2HE LYS 116 HE3 LYS 116 16.379 -5.997 -5.997
891 1HZ LYS 116 HZ3 LYS 116 18.876 -6.970 -6.970
892 2HZ LYS 116 HZ1 LYS 116 17.808 -5.958 -5.958
893 3HZ LYS 116 HZ2 LYS 116 18.643 -5.472 -5.472
894 H SER 117 HN SER 117 15.020 -3.794 -3.794
895 HA SER 117 HA SER 117 15.686 -4.248 -4.248
896 1HB SER 117 HB2 SER 117 13.613 -5.149 -5.149
897 2HB SER 117 HB3 SER 117 12.832 -3.896 -3.896
898 HG SER 117 HG SER 117 14.477 -5.560 -5.560
899 H LEU 118 HN LEU 118 14.821 -1.717 -1.717
900 HA LEU 118 HA LEU 118 13.508 0.022 0.022
901 1HB LEU 118 HB2 LEU 118 15.079 0.517 0.517
902 2HB LEU 118 HB3 LEU 118 14.154 1.747 1.747
903 HG LEU 118 HG LEU 118 13.070 -0.764 -0.764
904 1HD1 LEU 118 HD13 LEU 118 13.595 1.877 1.877
905 2HD1 LEU 118 HD11 LEU 118 11.837 1.591 1.591
906 3HD1 LEU 118 HD12 LEU 118 12.918 0.468 0.468
907 1HD2 LEU 118 HD22 LEU 118 11.736 1.268 1.268
908 2HD2 LEU 118 HD23 LEU 118 11.678 -0.510 -0.510
909 3HD2 LEU 118 HD21 LEU 118 10.820 0.354 0.354
910 H ASN 119 HN ASN 119 16.902 -0.840 -0.840
911 HA ASN 119 HA ASN 119 17.793 1.453 1.453
912 1HB ASN 119 HB2 ASN 119 20.068 0.243 0.243
913 2HB ASN 119 HB3 ASN 119 19.292 0.730 0.730
914 1HD2 ASN 119 HD22 ASN 119 19.812 -3.217 -3.217
915 2HD2 ASN 119 HD21 ASN 119 20.119 -1.909 -1.909
916 H HIS 120 HN HIS 120 16.446 -1.603 -1.603
917 HA HIS 120 HA HIS 120 18.083 -2.217 -2.217
918 1HB HIS 120 HB2 HIS 120 15.921 -3.497 -3.497
919 2HB HIS 120 HB3 HIS 120 15.835 -3.797 -3.797
920 HD1 HIS 120 HD1 HIS 120 19.119 -3.454 -3.454
921 HD2 HIS 120 HD2 HIS 120 16.766 -6.415 -6.415
922 HE1 HIS 120 HE1 HIS 120 20.537 -5.575 -5.575
923 H ARG 121 HN ARG 121 16.115 0.295 0.295
924 HA ARG 121 HA ARG 121 14.997 1.653 1.653
925 1HB ARG 121 HB2 ARG 121 16.318 -0.010 -0.010
926 2HB ARG 121 HB3 ARG 121 15.147 1.210 1.210
927 1HG ARG 121 HG2 ARG 121 16.951 2.364 2.364
928 2HG ARG 121 HG3 ARG 121 17.908 1.584 1.584
929 1HD ARG 121 HD2 ARG 121 15.783 2.960 2.960
930 2HD ARG 121 HD3 ARG 121 16.418 4.073 4.073
931 HE ARG 121 HE ARG 121 17.867 2.977 2.977
932 1HH1 ARG 121 HH22 ARG 121 18.094 4.706 4.706
933 2HH1 ARG 121 HH21 ARG 121 19.631 5.415 5.415
934 1HH2 ARG 121 HH12 ARG 121 19.895 3.911 3.911
935 2HH2 ARG 121 HH11 ARG 121 20.662 4.960 4.960
936 H TYR 122 HN TYR 122 14.560 -1.067 -1.067
937 HA TYR 122 HA TYR 122 11.921 -1.636 -1.636
938 1HB TYR 122 HB2 TYR 122 11.232 0.094 0.094
939 2HB TYR 122 HB3 TYR 122 12.651 -0.090 -0.090
940 HD1 TYR 122 HD2 TYR 122 10.135 -2.675 -2.675
941 HD2 TYR 122 HD1 TYR 122 11.803 -0.339 -0.339
942 HE1 TYR 122 HE2 TYR 122 8.762 -3.982 -3.982
943 HE2 TYR 122 HE1 TYR 122 10.425 -1.654 -1.654
944 HH TYR 122 HH TYR 122 8.273 -4.270 -4.270
945 H GLN 123 HN GLN 123 12.683 -3.767 -3.767
946 HA GLN 123 HA GLN 123 13.197 -5.824 -5.824
947 1HB GLN 123 HB2 GLN 123 11.094 -5.880 -5.880
948 2HB GLN 123 HB3 GLN 123 11.790 -5.100 -5.100
949 1HG GLN 123 HG2 GLN 123 13.420 -7.378 -7.378
950 2HG GLN 123 HG3 GLN 123 11.786 -7.939 -7.939
951 1HE2 GLN 123 HE22 GLN 123 12.934 -8.003 -8.003
952 2HE2 GLN 123 HE21 GLN 123 13.772 -8.356 -8.356
953 H MET 124 HN MET 124 15.503 -4.854 -4.854
954 HA MET 124 HA MET 124 16.828 -4.457 -4.457
955 1HB MET 124 HB2 MET 124 17.432 -4.551 -4.551
956 2HB MET 124 HB3 MET 124 18.753 -5.194 -5.194
957 1HG MET 124 HG2 MET 124 17.678 -2.735 -2.735
958 2HG MET 124 HG3 MET 124 18.175 -2.463 -2.463
959 1HE MET 124 HE1 MET 124 20.404 -4.289 -4.289
960 2HE MET 124 HE2 MET 124 21.888 -3.522 -3.522
961 3HE MET 124 HE3 MET 124 20.644 -2.536 -2.536
962 H GLY 125 HN GLY 125 15.637 -6.675 -6.675
963 1HA GLY 125 HA1 GLY 125 15.857 -8.816 -8.816
964 2HA GLY 125 HA2 GLY 125 17.568 -8.457 -8.457
965 H CYS 126 HN CYS 126 15.897 -8.201 -8.201
966 HA CYS 126 HA CYS 126 17.689 -9.842 -9.842
967 1HB CYS 126 HB2 CYS 126 16.509 -9.413 -9.413
968 2HB CYS 126 HB3 CYS 126 15.921 -8.114 -8.114
969 H GLU 127 HN GLU 127 16.293 -11.755 -11.755
970 HA GLU 127 HA GLU 127 14.550 -13.325 -13.325
971 1HB GLU 127 HB2 GLU 127 16.547 -13.629 -13.629
972 2HB GLU 127 HB3 GLU 127 17.422 -14.338 -14.338
973 1HG GLU 127 HG2 GLU 127 16.495 -16.161 -16.161
974 2HG GLU 127 HG3 GLU 127 15.604 -16.091 -16.091
Start of MODEL 16
1 H CYS 1 HN CYS 1 -11.360 -9.136 -9.136
2 HA CYS 1 HA CYS 1 -11.094 -11.812 -11.812
3 1HB CYS 1 HB2 CYS 1 -8.847 -11.854 -11.854
4 2HB CYS 1 HB3 CYS 1 -10.022 -11.104 -11.104
5 H SER 2 HN SER 2 -8.289 -12.093 -12.093
6 HA SER 2 HA SER 2 -7.713 -10.488 -10.488
7 1HB SER 2 HB2 SER 2 -9.371 -12.929 -12.929
8 2HB SER 2 HB3 SER 2 -8.015 -12.684 -12.684
9 HG SER 2 HG SER 2 -9.364 -11.371 -11.371
10 H CYS 3 HN CYS 3 -6.240 -11.286 -11.286
11 HA CYS 3 HA CYS 3 -4.855 -13.661 -13.661
12 1HB CYS 3 HB2 CYS 3 -3.500 -11.214 -11.214
13 2HB CYS 3 HB3 CYS 3 -3.442 -12.865 -12.865
14 H SER 4 HN SER 4 -2.072 -12.802 -12.802
15 HA SER 4 HA SER 4 -1.793 -11.611 -11.611
16 1HB SER 4 HB2 SER 4 -0.448 -13.390 -13.390
17 2HB SER 4 HB3 SER 4 -1.904 -14.136 -14.136
18 HG SER 4 HG SER 4 -0.656 -15.341 -15.341
19 HA PRO 5 HA PRO 5 1.407 -9.853 -9.853
20 1HB PRO 5 HB2 PRO 5 2.111 -7.851 -7.851
21 2HB PRO 5 HB3 PRO 5 0.801 -7.705 -7.705
22 1HG PRO 5 HG2 PRO 5 0.654 -8.114 -8.114
23 2HG PRO 5 HG3 PRO 5 -0.593 -7.550 -7.550
24 1HD PRO 5 HD2 PRO 5 -0.371 -10.170 -10.170
25 2HD PRO 5 HD3 PRO 5 -1.550 -9.639 -9.639
26 H VAL 6 HN VAL 6 2.465 -11.997 -11.997
27 HA VAL 6 HA VAL 6 4.378 -11.984 -11.984
28 HB VAL 6 HB VAL 6 3.093 -13.989 -13.989
29 1HG1 VAL 6 HG12 VAL 6 4.180 -13.247 -13.247
30 2HG1 VAL 6 HG13 VAL 6 4.738 -14.883 -14.883
31 3HG1 VAL 6 HG11 VAL 6 2.996 -14.517 -14.517
32 1HG2 VAL 6 HG21 VAL 6 5.971 -13.787 -13.787
33 2HG2 VAL 6 HG22 VAL 6 4.760 -14.885 -14.885
34 3HG2 VAL 6 HG23 VAL 6 5.520 -15.282 -15.282
35 H HIS 7 HN HIS 7 6.063 -13.566 -13.566
36 HA HIS 7 HA HIS 7 8.111 -12.990 -12.990
37 1HB HIS 7 HB2 HIS 7 7.618 -11.391 -11.391
38 2HB HIS 7 HB3 HIS 7 7.335 -13.121 -13.121
39 HD1 HIS 7 HD1 HIS 7 5.114 -13.701 -13.701
40 HD2 HIS 7 HD2 HIS 7 5.032 -10.028 -10.028
41 HE1 HIS 7 HE1 HIS 7 2.727 -12.825 -12.825
42 HA PRO 8 HA PRO 8 8.803 -9.102 -9.102
43 1HB PRO 8 HB2 PRO 8 11.105 -9.835 -9.835
44 2HB PRO 8 HB3 PRO 8 9.513 -10.017 -10.017
45 1HG PRO 8 HG2 PRO 8 11.278 -12.092 -12.092
46 2HG PRO 8 HG3 PRO 8 9.909 -12.288 -12.288
47 1HD PRO 8 HD2 PRO 8 9.959 -12.796 -12.796
48 2HD PRO 8 HD3 PRO 8 8.563 -12.881 -12.881
49 H GLN 9 HN GLN 9 9.987 -10.534 -10.534
50 HA GLN 9 HA GLN 9 11.679 -8.238 -8.238
51 1HB GLN 9 HB2 GLN 9 13.306 -9.888 -9.888
52 2HB GLN 9 HB3 GLN 9 12.560 -11.136 -11.136
53 1HG GLN 9 HG2 GLN 9 14.589 -10.265 -10.265
54 2HG GLN 9 HG3 GLN 9 13.167 -9.915 -9.915
55 1HE2 GLN 9 HE22 GLN 9 14.611 -6.784 -6.784
56 2HE2 GLN 9 HE21 GLN 9 14.396 -8.377 -8.377
57 H GLN 10 HN GLN 10 9.951 -11.153 -11.153
58 HA GLN 10 HA GLN 10 10.137 -10.401 -10.401
59 1HB GLN 10 HB2 GLN 10 7.883 -12.132 -12.132
60 2HB GLN 10 HB3 GLN 10 8.879 -12.322 -12.322
61 1HG GLN 10 HG2 GLN 10 10.837 -12.647 -12.647
62 2HG GLN 10 HG3 GLN 10 9.508 -13.059 -13.059
63 1HE2 GLN 10 HE22 GLN 10 9.707 -16.351 -16.351
64 2HE2 GLN 10 HE21 GLN 10 9.767 -15.184 -15.184
65 H ALA 11 HN ALA 11 8.633 -8.834 -8.834
66 HA ALA 11 HA ALA 11 6.176 -8.211 -8.211
67 1HB ALA 11 HB1 ALA 11 7.225 -8.051 -8.051
68 2HB ALA 11 HB2 ALA 11 6.353 -6.580 -6.580
69 3HB ALA 11 HB3 ALA 11 5.544 -8.163 -8.163
70 H PHE 12 HN PHE 12 9.390 -6.852 -6.852
71 HA PHE 12 HA PHE 12 8.632 -4.288 -4.288
72 1HB PHE 12 HB2 PHE 12 11.222 -5.546 -5.546
73 2HB PHE 12 HB3 PHE 12 11.122 -3.874 -3.874
74 HD1 PHE 12 HD1 PHE 12 8.818 -5.979 -5.979
75 HD2 PHE 12 HD2 PHE 12 11.277 -2.526 -2.526
76 HE1 PHE 12 HE1 PHE 12 8.063 -5.315 -5.315
77 HE2 PHE 12 HE2 PHE 12 10.522 -1.862 -1.862
78 HZ PHE 12 HZ PHE 12 8.924 -3.263 -3.263
79 H CYS 13 HN CYS 13 10.013 -7.327 -7.327
80 HA CYS 13 HA CYS 13 11.399 -6.128 -6.128
81 1HB CYS 13 HB2 CYS 13 11.140 -8.875 -8.875
82 2HB CYS 13 HB3 CYS 13 11.541 -8.724 -8.724
83 H ASN 14 HN ASN 14 8.214 -7.081 -7.081
84 HA ASN 14 HA ASN 14 7.510 -7.760 -7.760
85 1HB ASN 14 HB2 ASN 14 6.516 -8.466 -8.466
86 2HB ASN 14 HB3 ASN 14 5.234 -7.567 -7.567
87 1HD2 ASN 14 HD22 ASN 14 6.136 -11.377 -11.377
88 2HD2 ASN 14 HD21 ASN 14 6.874 -10.509 -10.509
89 H ALA 15 HN ALA 15 6.868 -5.374 -5.374
90 HA ALA 15 HA ALA 15 4.896 -3.875 -3.875
91 1HB ALA 15 HB1 ALA 15 7.204 -3.124 -3.124
92 2HB ALA 15 HB2 ALA 15 5.876 -2.011 -2.011
93 3HB ALA 15 HB3 ALA 15 5.534 -3.528 -3.528
94 H ASP 16 HN ASP 16 5.243 -1.502 -1.502
95 HA ASP 16 HA ASP 16 7.619 -1.282 -1.282
96 1HB ASP 16 HB2 ASP 16 4.855 -1.751 -1.751
97 2HB ASP 16 HB3 ASP 16 5.769 -0.491 -0.491
98 H VAL 17 HN VAL 17 5.911 -0.015 -0.015
99 HA VAL 17 HA VAL 17 6.461 2.683 2.683
100 HB VAL 17 HB VAL 17 4.291 2.180 2.180
101 1HG1 VAL 17 HG11 VAL 17 3.451 0.819 0.819
102 2HG1 VAL 17 HG12 VAL 17 2.951 2.410 2.410
103 3HG1 VAL 17 HG13 VAL 17 2.299 1.814 1.814
104 1HG2 VAL 17 HG22 VAL 17 4.808 4.411 4.411
105 2HG2 VAL 17 HG23 VAL 17 4.596 4.436 4.436
106 3HG2 VAL 17 HG21 VAL 17 3.176 4.301 4.301
107 H VAL 18 HN VAL 18 7.792 2.282 2.282
108 HA VAL 18 HA VAL 18 6.282 1.880 1.880
109 HB VAL 18 HB VAL 18 9.229 2.129 2.129
110 1HG1 VAL 18 HG13 VAL 18 7.080 0.788 0.788
111 2HG1 VAL 18 HG11 VAL 18 8.493 -0.256 -0.256
112 3HG1 VAL 18 HG12 VAL 18 8.696 1.306 1.306
113 1HG2 VAL 18 HG21 VAL 18 7.811 0.197 0.197
114 2HG2 VAL 18 HG22 VAL 18 9.464 0.852 0.852
115 3HG2 VAL 18 HG23 VAL 18 9.101 -0.470 -0.470
116 H ILE 19 HN ILE 19 5.671 3.605 3.605
117 HA ILE 19 HA ILE 19 7.421 5.916 5.916
118 HB ILE 19 HB ILE 19 5.716 7.487 7.487
119 1HG1 ILE 19 HG12 ILE 19 3.922 5.098 5.098
120 2HG1 ILE 19 HG13 ILE 19 3.667 6.717 6.717
121 1HG2 ILE 19 HG21 ILE 19 7.111 6.301 6.301
122 2HG2 ILE 19 HG22 ILE 19 5.624 5.407 5.407
123 3HG2 ILE 19 HG23 ILE 19 5.659 7.181 7.181
124 1HD1 ILE 19 HD13 ILE 19 3.733 7.424 7.424
125 2HD1 ILE 19 HD11 ILE 19 3.369 5.704 5.704
126 3HD1 ILE 19 HD12 ILE 19 2.254 6.706 6.706
127 H ARG 20 HN ARG 20 7.636 6.587 6.587
128 HA ARG 20 HA ARG 20 6.062 5.287 5.287
129 1HB ARG 20 HB2 ARG 20 8.171 7.494 7.494
130 2HB ARG 20 HB3 ARG 20 7.451 6.713 6.713
131 1HG ARG 20 HG2 ARG 20 8.457 4.618 4.618
132 2HG ARG 20 HG3 ARG 20 8.705 5.010 5.010
133 1HD ARG 20 HD2 ARG 20 10.761 5.075 5.075
134 2HD ARG 20 HD3 ARG 20 10.613 6.311 6.311
135 HE ARG 20 HE ARG 20 9.200 7.274 7.274
136 1HH1 ARG 20 HH22 ARG 20 12.510 6.393 6.393
137 2HH1 ARG 20 HH21 ARG 20 13.215 7.498 7.498
138 1HH2 ARG 20 HH12 ARG 20 10.129 8.731 8.731
139 2HH2 ARG 20 HH11 ARG 20 11.851 8.837 8.837
140 H THR 21 HN THR 21 4.362 6.806 6.806
141 HA THR 21 HA THR 21 3.856 9.404 9.404
142 HB THR 21 HB THR 21 3.093 8.629 8.629
143 HG1 THR 21 HG1 THR 21 1.293 9.842 9.842
144 1HG2 THR 21 HG23 THR 21 2.643 6.183 6.183
145 2HG2 THR 21 HG21 THR 21 1.048 6.842 6.842
146 3HG2 THR 21 HG22 THR 21 1.573 6.836 6.836
147 H LYS 22 HN LYS 22 1.534 9.947 9.947
148 HA LYS 22 HA LYS 22 1.038 8.121 8.121
149 1HB LYS 22 HB2 LYS 22 0.772 10.032 10.032
150 2HB LYS 22 HB3 LYS 22 2.387 9.990 9.990
151 1HG LYS 22 HG2 LYS 22 1.863 11.748 11.748
152 2HG LYS 22 HG3 LYS 22 0.149 11.654 11.654
153 1HD LYS 22 HD2 LYS 22 2.379 12.758 12.758
154 2HD LYS 22 HD3 LYS 22 0.918 13.565 13.565
155 1HE LYS 22 HE2 LYS 22 -0.373 11.762 11.762
156 2HE LYS 22 HE3 LYS 22 1.174 11.379 11.379
157 1HZ LYS 22 HZ1 LYS 22 0.038 14.086 14.086
158 2HZ LYS 22 HZ2 LYS 22 -0.125 13.054 13.054
159 3HZ LYS 22 HZ3 LYS 22 1.357 13.593 13.593
160 H ALA 23 HN ALA 23 -1.007 7.372 7.372
161 HA ALA 23 HA ALA 23 -2.931 8.829 8.829
162 1HB ALA 23 HB3 ALA 23 -2.573 6.412 6.412
163 2HB ALA 23 HB1 ALA 23 -3.036 6.074 6.074
164 3HB ALA 23 HB2 ALA 23 -4.232 6.743 6.743
165 H VAL 24 HN VAL 24 -3.848 10.503 10.503
166 HA VAL 24 HA VAL 24 -4.682 9.918 9.918
167 HB VAL 24 HB VAL 24 -4.913 12.481 12.481
168 1HG1 VAL 24 HG13 VAL 24 -2.428 10.827 10.827
169 2HG1 VAL 24 HG11 VAL 24 -2.243 12.596 12.596
170 3HG1 VAL 24 HG12 VAL 24 -3.224 11.775 11.775
171 1HG2 VAL 24 HG23 VAL 24 -4.647 12.576 12.576
172 2HG2 VAL 24 HG21 VAL 24 -3.748 13.768 13.768
173 3HG2 VAL 24 HG22 VAL 24 -2.908 12.348 12.348
174 H SER 25 HN SER 25 -5.716 11.030 11.030
175 HA SER 25 HA SER 25 -8.450 10.977 10.977
176 1HB SER 25 HB2 SER 25 -8.288 13.090 13.090
177 2HB SER 25 HB3 SER 25 -7.038 12.621 12.621
178 HG SER 25 HG SER 25 -8.880 12.958 12.958
179 H GLU 26 HN GLU 26 -10.094 10.262 10.262
180 HA GLU 26 HA GLU 26 -8.962 8.420 8.420
181 1HB GLU 26 HB2 GLU 26 -10.504 7.517 7.517
182 2HB GLU 26 HB3 GLU 26 -10.659 6.613 6.613
183 1HG GLU 26 HG2 GLU 26 -8.761 5.521 5.521
184 2HG GLU 26 HG3 GLU 26 -7.899 6.983 6.983
185 H LYS 27 HN LYS 27 -11.183 7.086 7.086
186 HA LYS 27 HA LYS 27 -13.408 8.914 8.914
187 1HB LYS 27 HB2 LYS 27 -11.845 9.832 9.832
188 2HB LYS 27 HB3 LYS 27 -11.815 8.282 8.282
189 1HG LYS 27 HG2 LYS 27 -13.949 8.530 8.530
190 2HG LYS 27 HG3 LYS 27 -14.540 9.390 9.390
191 1HD LYS 27 HD2 LYS 27 -14.359 10.802 10.802
192 2HD LYS 27 HD3 LYS 27 -13.536 11.467 11.467
193 1HE LYS 27 HE2 LYS 27 -11.371 10.506 10.506
194 2HE LYS 27 HE3 LYS 27 -12.195 9.844 9.844
195 1HZ LYS 27 HZ2 LYS 27 -12.945 12.351 12.351
196 2HZ LYS 27 HZ3 LYS 27 -11.513 12.581 12.581
197 3HZ LYS 27 HZ1 LYS 27 -11.567 11.801 11.801
198 H GLU 28 HN GLU 28 -15.116 7.607 7.607
199 HA GLU 28 HA GLU 28 -14.845 4.827 4.827
200 1HB GLU 28 HB2 GLU 28 -16.104 5.724 5.724
201 2HB GLU 28 HB3 GLU 28 -17.251 6.494 6.494
202 1HG GLU 28 HG2 GLU 28 -17.194 3.812 3.812
203 2HG GLU 28 HG3 GLU 28 -17.111 3.688 3.688
204 H VAL 29 HN VAL 29 -14.647 4.385 4.385
205 HA VAL 29 HA VAL 29 -16.873 5.329 5.329
206 HB VAL 29 HB VAL 29 -15.371 4.998 4.998
207 1HG1 VAL 29 HG11 VAL 29 -15.386 7.104 7.104
208 2HG1 VAL 29 HG12 VAL 29 -13.689 6.613 6.613
209 3HG1 VAL 29 HG13 VAL 29 -14.290 7.002 7.002
210 1HG2 VAL 29 HG22 VAL 29 -13.337 4.174 4.174
211 2HG2 VAL 29 HG23 VAL 29 -14.005 3.167 3.167
212 3HG2 VAL 29 HG21 VAL 29 -12.949 4.546 4.546
213 H ASP 30 HN ASP 30 -18.393 3.835 3.835
214 HA ASP 30 HA ASP 30 -18.060 1.185 1.185
215 1HB ASP 30 HB2 ASP 30 -20.099 2.786 2.786
216 2HB ASP 30 HB3 ASP 30 -20.167 1.049 1.049
217 H SER 31 HN SER 31 -18.121 -0.757 -0.757
218 HA SER 31 HA SER 31 -17.216 -0.153 -0.153
219 1HB SER 31 HB2 SER 31 -15.119 -0.606 -0.606
220 2HB SER 31 HB3 SER 31 -15.768 -1.768 -1.768
221 HG SER 31 HG SER 31 -16.179 -3.204 -3.204
222 H GLY 32 HN GLY 32 -19.745 -1.152 -1.152
223 1HA GLY 32 HA1 GLY 32 -21.419 -2.531 -2.531
224 2HA GLY 32 HA2 GLY 32 -20.362 -3.251 -3.251
225 H ASN 33 HN ASN 33 -21.852 -5.105 -5.105
226 HA ASN 33 HA ASN 33 -20.738 -6.028 -6.028
227 1HB ASN 33 HB2 ASN 33 -22.496 -7.710 -7.710
228 2HB ASN 33 HB3 ASN 33 -22.450 -7.691 -7.691
229 1HD2 ASN 33 HD22 ASN 33 -25.522 -5.956 -5.956
230 2HD2 ASN 33 HD21 ASN 33 -24.783 -7.504 -7.504
231 H ASP 34 HN ASP 34 -19.915 -8.409 -8.409
232 HA ASP 34 HA ASP 34 -18.084 -8.772 -8.772
233 1HB ASP 34 HB2 ASP 34 -17.639 -8.903 -8.903
234 2HB ASP 34 HB3 ASP 34 -18.177 -10.558 -10.558
235 H ILE 35 HN ILE 35 -17.699 -11.661 -11.661
236 HA ILE 35 HA ILE 35 -19.963 -12.613 -12.613
237 HB ILE 35 HB ILE 35 -17.434 -13.986 -13.986
238 1HG1 ILE 35 HG12 ILE 35 -16.847 -13.709 -13.709
239 2HG1 ILE 35 HG13 ILE 35 -18.158 -12.551 -12.551
240 1HG2 ILE 35 HG23 ILE 35 -19.728 -14.878 -14.878
241 2HG2 ILE 35 HG21 ILE 35 -18.089 -15.529 -15.529
242 3HG2 ILE 35 HG22 ILE 35 -18.908 -15.737 -15.737
243 1HD1 ILE 35 HD11 ILE 35 -16.124 -12.247 -12.247
244 2HD1 ILE 35 HD12 ILE 35 -15.694 -11.738 -11.738
245 3HD1 ILE 35 HD13 ILE 35 -17.086 -10.998 -10.998
246 H TYR 36 HN TYR 36 -19.498 -11.994 -11.994
247 HA TYR 36 HA TYR 36 -20.931 -14.415 -14.415
248 1HB TYR 36 HB2 TYR 36 -18.626 -13.269 -13.269
249 2HB TYR 36 HB3 TYR 36 -19.770 -12.272 -12.272
250 HD1 TYR 36 HD1 TYR 36 -18.432 -15.682 -15.682
251 HD2 TYR 36 HD2 TYR 36 -21.117 -13.190 -13.190
252 HE1 TYR 36 HE1 TYR 36 -18.647 -17.483 -17.483
253 HE2 TYR 36 HE2 TYR 36 -21.322 -14.999 -14.999
254 HH TYR 36 HH TYR 36 -19.456 -18.010 -18.010
255 H GLY 37 HN GLY 37 -21.534 -11.312 -11.312
256 1HA GLY 37 HA1 GLY 37 -23.590 -10.284 -10.284
257 2HA GLY 37 HA2 GLY 37 -24.102 -11.260 -11.260
258 H ASN 38 HN ASN 38 -21.136 -10.393 -10.393
259 HA ASN 38 HA ASN 38 -22.200 -8.379 -8.379
260 1HB ASN 38 HB2 ASN 38 -19.709 -8.285 -8.285
261 2HB ASN 38 HB3 ASN 38 -20.568 -9.793 -9.793
262 1HD2 ASN 38 HD22 ASN 38 -17.236 -10.542 -10.542
263 2HD2 ASN 38 HD21 ASN 38 -17.863 -9.759 -9.759
264 HA PRO 39 HA PRO 39 -20.760 -4.946 -4.946
265 1HB PRO 39 HB2 PRO 39 -20.443 -3.038 -3.038
266 2HB PRO 39 HB3 PRO 39 -22.001 -3.463 -3.463
267 1HG PRO 39 HG2 PRO 39 -20.882 -4.167 -4.167
268 2HG PRO 39 HG3 PRO 39 -22.551 -4.207 -4.207
269 1HD PRO 39 HD2 PRO 39 -20.798 -6.454 -6.454
270 2HD PRO 39 HD3 PRO 39 -22.429 -6.480 -6.480
271 H ILE 40 HN ILE 40 -18.946 -4.457 -4.457
272 HA ILE 40 HA ILE 40 -16.525 -5.382 -5.382
273 HB ILE 40 HB ILE 40 -17.205 -3.666 -3.666
274 1HG1 ILE 40 HG12 ILE 40 -16.414 -6.578 -6.578
275 2HG1 ILE 40 HG13 ILE 40 -18.000 -5.964 -5.964
276 1HG2 ILE 40 HG23 ILE 40 -14.928 -3.139 -3.139
277 2HG2 ILE 40 HG21 ILE 40 -14.495 -4.852 -4.852
278 3HG2 ILE 40 HG22 ILE 40 -14.939 -3.860 -3.860
279 1HD1 ILE 40 HD12 ILE 40 -15.466 -5.484 -5.484
280 2HD1 ILE 40 HD13 ILE 40 -16.705 -6.708 -6.708
281 3HD1 ILE 40 HD11 ILE 40 -17.114 -4.976 -4.976
282 H LYS 41 HN LYS 41 -16.843 -2.019 -2.019
283 HA LYS 41 HA LYS 41 -16.402 -0.063 -0.063
284 1HB LYS 41 HB2 LYS 41 -17.799 -0.976 -0.976
285 2HB LYS 41 HB3 LYS 41 -16.297 -1.406 -1.406
286 1HG LYS 41 HG2 LYS 41 -15.582 0.884 0.884
287 2HG LYS 41 HG3 LYS 41 -16.768 1.415 1.415
288 1HD LYS 41 HD2 LYS 41 -17.502 0.238 0.238
289 2HD LYS 41 HD3 LYS 41 -17.346 1.959 1.959
290 1HE LYS 41 HE2 LYS 41 -19.253 0.113 0.113
291 2HE LYS 41 HE3 LYS 41 -19.724 1.119 1.119
292 1HZ LYS 41 HZ2 LYS 41 -18.772 3.001 3.001
293 2HZ LYS 41 HZ3 LYS 41 -18.801 1.979 1.979
294 3HZ LYS 41 HZ1 LYS 41 -20.190 2.367 2.367
295 H ARG 42 HN ARG 42 -14.482 0.973 0.973
296 HA ARG 42 HA ARG 42 -12.162 -0.432 -0.432
297 1HB ARG 42 HB2 ARG 42 -11.188 0.927 0.927
298 2HB ARG 42 HB3 ARG 42 -11.503 -0.794 -0.794
299 1HG ARG 42 HG2 ARG 42 -13.921 -0.290 -0.290
300 2HG ARG 42 HG3 ARG 42 -13.425 1.368 1.368
301 1HD ARG 42 HD2 ARG 42 -11.525 0.270 0.270
302 2HD ARG 42 HD3 ARG 42 -12.571 -1.135 -1.135
303 HE ARG 42 HE ARG 42 -13.968 1.357 1.357
304 1HH1 ARG 42 HH22 ARG 42 -12.137 -1.368 -1.368
305 2HH1 ARG 42 HH21 ARG 42 -12.777 -1.216 -1.216
306 1HH2 ARG 42 HH12 ARG 42 -14.812 1.557 1.557
307 2HH2 ARG 42 HH11 ARG 42 -14.309 0.459 0.459
308 H ILE 43 HN ILE 43 -12.746 1.229 1.229
309 HA ILE 43 HA ILE 43 -12.832 3.885 3.885
310 HB ILE 43 HB ILE 43 -12.171 1.969 1.969
311 1HG1 ILE 43 HG12 ILE 43 -12.799 4.116 4.116
312 2HG1 ILE 43 HG13 ILE 43 -13.277 4.747 4.747
313 1HG2 ILE 43 HG23 ILE 43 -9.848 2.802 2.802
314 2HG2 ILE 43 HG21 ILE 43 -10.428 4.440 4.440
315 3HG2 ILE 43 HG22 ILE 43 -10.577 3.139 3.139
316 1HD1 ILE 43 HD13 ILE 43 -14.347 2.181 2.181
317 2HD1 ILE 43 HD11 ILE 43 -14.541 2.639 2.639
318 3HD1 ILE 43 HD12 ILE 43 -15.245 3.658 3.658
319 H GLN 44 HN GLN 44 -11.354 5.669 5.669
320 HA GLN 44 HA GLN 44 -9.056 5.024 5.024
321 1HB GLN 44 HB2 GLN 44 -10.422 7.642 7.642
322 2HB GLN 44 HB3 GLN 44 -8.923 7.592 7.592
323 1HG GLN 44 HG2 GLN 44 -11.661 6.584 6.584
324 2HG GLN 44 HG3 GLN 44 -10.593 7.669 7.669
325 1HE2 GLN 44 HE22 GLN 44 -10.188 3.572 3.572
326 2HE2 GLN 44 HE21 GLN 44 -11.176 4.357 4.357
327 H TYR 45 HN TYR 45 -7.091 6.739 6.739
328 HA TYR 45 HA TYR 45 -6.643 6.719 6.719
329 1HB TYR 45 HB2 TYR 45 -5.285 5.298 5.298
330 2HB TYR 45 HB3 TYR 45 -4.167 6.181 6.181
331 HD1 TYR 45 HD2 TYR 45 -5.768 5.785 5.785
332 HD2 TYR 45 HD1 TYR 45 -4.537 3.091 3.091
333 HE1 TYR 45 HE2 TYR 45 -5.774 3.863 3.863
334 HE2 TYR 45 HE1 TYR 45 -4.547 1.179 1.179
335 HH TYR 45 HH TYR 45 -4.979 1.772 1.772
336 H GLU 46 HN GLU 46 -7.373 9.052 9.052
337 HA GLU 46 HA GLU 46 -5.676 10.604 10.604
338 1HB GLU 46 HB2 GLU 46 -8.103 11.010 11.010
339 2HB GLU 46 HB3 GLU 46 -7.176 11.817 11.817
340 1HG GLU 46 HG2 GLU 46 -6.227 13.386 13.386
341 2HG GLU 46 HG3 GLU 46 -6.731 12.435 12.435
342 H ILE 47 HN ILE 47 -3.578 9.629 9.629
343 HA ILE 47 HA ILE 47 -2.755 10.252 10.252
344 HB ILE 47 HB ILE 47 -0.532 9.621 9.621
345 1HG1 ILE 47 HG12 ILE 47 -1.860 9.825 9.825
346 2HG1 ILE 47 HG13 ILE 47 -0.333 10.498 10.498
347 1HG2 ILE 47 HG21 ILE 47 -2.861 8.025 8.025
348 2HG2 ILE 47 HG22 ILE 47 -1.909 7.446 7.446
349 3HG2 ILE 47 HG23 ILE 47 -1.168 7.525 7.525
350 1HD1 ILE 47 HD11 ILE 47 -0.134 7.668 7.668
351 2HD1 ILE 47 HD12 ILE 47 -0.835 7.937 7.937
352 3HD1 ILE 47 HD13 ILE 47 0.727 8.677 8.677
353 H LYS 48 HN LYS 48 -0.333 11.517 11.517
354 HA LYS 48 HA LYS 48 -0.972 14.124 14.124
355 1HB LYS 48 HB2 LYS 48 -1.305 13.824 13.824
356 2HB LYS 48 HB3 LYS 48 0.446 13.872 13.872
357 1HG LYS 48 HG2 LYS 48 -0.166 16.008 16.008
358 2HG LYS 48 HG3 LYS 48 -1.470 16.058 16.058
359 1HD LYS 48 HD2 LYS 48 0.595 17.409 17.409
360 2HD LYS 48 HD3 LYS 48 0.053 16.271 16.271
361 1HE LYS 48 HE2 LYS 48 1.966 15.026 15.026
362 2HE LYS 48 HE3 LYS 48 1.950 15.041 15.041
363 1HZ LYS 48 HZ3 LYS 48 2.760 17.361 17.361
364 2HZ LYS 48 HZ1 LYS 48 2.958 17.155 17.155
365 3HZ LYS 48 HZ2 LYS 48 3.816 16.246 16.246
366 H GLN 49 HN GLN 49 0.949 11.449 11.449
367 HA GLN 49 HA GLN 49 2.941 11.011 11.011
368 1HB GLN 49 HB2 GLN 49 2.653 11.979 11.979
369 2HB GLN 49 HB3 GLN 49 2.189 13.530 13.530
370 1HG GLN 49 HG2 GLN 49 4.380 14.299 14.299
371 2HG GLN 49 HG3 GLN 49 5.042 12.705 12.705
372 1HE2 GLN 49 HE22 GLN 49 5.166 11.691 11.691
373 2HE2 GLN 49 HE21 GLN 49 4.846 11.125 11.125
374 H ILE 50 HN ILE 50 4.859 10.850 10.850
375 HA ILE 50 HA ILE 50 5.898 13.299 13.299
376 HB ILE 50 HB ILE 50 5.680 12.549 12.549
377 1HG1 ILE 50 HG12 ILE 50 7.020 10.077 10.077
378 2HG1 ILE 50 HG13 ILE 50 7.652 11.294 11.294
379 1HG2 ILE 50 HG22 ILE 50 3.563 11.613 11.613
380 2HG2 ILE 50 HG23 ILE 50 4.306 10.027 10.027
381 3HG2 ILE 50 HG21 ILE 50 3.926 11.123 11.123
382 1HD1 ILE 50 HD12 ILE 50 5.364 9.399 9.399
383 2HD1 ILE 50 HD13 ILE 50 7.065 9.144 9.144
384 3HD1 ILE 50 HD11 ILE 50 6.170 10.542 10.542
385 H LYS 51 HN LYS 51 6.366 10.074 10.074
386 HA LYS 51 HA LYS 51 9.008 10.902 10.902
387 1HB LYS 51 HB2 LYS 51 8.722 9.329 9.329
388 2HB LYS 51 HB3 LYS 51 9.242 8.227 8.227
389 1HG LYS 51 HG2 LYS 51 10.850 10.454 10.454
390 2HG LYS 51 HG3 LYS 51 10.715 10.466 10.466
391 1HD LYS 51 HD2 LYS 51 11.816 8.423 8.423
392 2HD LYS 51 HD3 LYS 51 11.263 7.808 7.808
393 1HE LYS 51 HE2 LYS 51 12.894 9.081 9.081
394 2HE LYS 51 HE3 LYS 51 13.227 10.128 10.128
395 1HZ LYS 51 HZ2 LYS 51 13.727 7.253 7.253
396 2HZ LYS 51 HZ3 LYS 51 14.832 8.257 8.257
397 3HZ LYS 51 HZ1 LYS 51 14.378 8.455 8.455
398 H MET 52 HN MET 52 9.941 9.226 9.226
399 HA MET 52 HA MET 52 7.867 7.583 7.583
400 1HB MET 52 HB2 MET 52 8.408 8.540 8.540
401 2HB MET 52 HB3 MET 52 7.655 9.709 9.709
402 1HG MET 52 HG2 MET 52 9.555 11.012 11.012
403 2HG MET 52 HG3 MET 52 10.631 9.630 9.630
404 1HE MET 52 HE2 MET 52 10.694 12.385 12.385
405 2HE MET 52 HE3 MET 52 12.071 11.630 11.630
406 3HE MET 52 HE1 MET 52 10.777 12.414 12.414
407 H PHE 53 HN PHE 53 9.433 6.030 6.030
408 HA PHE 53 HA PHE 53 12.038 5.703 5.703
409 1HB PHE 53 HB2 PHE 53 9.624 3.939 3.939
410 2HB PHE 53 HB3 PHE 53 11.047 3.109 3.109
411 HD1 PHE 53 HD2 PHE 53 13.174 4.649 4.649
412 HD2 PHE 53 HD1 PHE 53 9.445 3.137 3.137
413 HE1 PHE 53 HE2 PHE 53 14.074 4.513 4.513
414 HE2 PHE 53 HE1 PHE 53 10.344 3.001 3.001
415 HZ PHE 53 HZ PHE 53 12.648 3.691 3.691
416 H LYS 54 HN LYS 54 9.653 3.726 3.726
417 HA LYS 54 HA LYS 54 11.266 4.290 4.290
418 1HB LYS 54 HB2 LYS 54 11.322 1.878 1.878
419 2HB LYS 54 HB3 LYS 54 10.146 1.582 1.582
420 1HG LYS 54 HG2 LYS 54 12.443 1.042 1.042
421 2HG LYS 54 HG3 LYS 54 11.745 2.336 2.336
422 1HD LYS 54 HD2 LYS 54 13.144 3.403 3.403
423 2HD LYS 54 HD3 LYS 54 14.209 2.393 2.393
424 1HE LYS 54 HE2 LYS 54 14.350 3.952 3.952
425 2HE LYS 54 HE3 LYS 54 12.607 4.111 4.111
426 1HZ LYS 54 HZ2 LYS 54 13.226 5.321 5.321
427 2HZ LYS 54 HZ3 LYS 54 14.479 5.746 5.746
428 3HZ LYS 54 HZ1 LYS 54 12.950 6.084 6.084
429 H GLY 55 HN GLY 55 9.338 5.956 5.956
430 1HA GLY 55 HA1 GLY 55 6.974 4.705 4.705
431 2HA GLY 55 HA2 GLY 55 6.936 6.149 6.149
432 HA PRO 56 HA PRO 56 7.292 7.618 7.618
433 1HB PRO 56 HB2 PRO 56 5.273 9.457 9.457
434 2HB PRO 56 HB3 PRO 56 5.045 7.814 7.814
435 1HG PRO 56 HG2 PRO 56 4.233 9.018 9.018
436 2HG PRO 56 HG3 PRO 56 3.658 7.544 7.544
437 1HD PRO 56 HD2 PRO 56 5.500 7.749 7.749
438 2HD PRO 56 HD3 PRO 56 5.015 6.282 6.282
439 H GLU 57 HN GLU 57 7.019 10.239 10.239
440 HA GLU 57 HA GLU 57 9.153 11.290 11.290
441 1HB GLU 57 HB2 GLU 57 8.138 12.732 12.732
442 2HB GLU 57 HB3 GLU 57 9.778 12.582 12.582
443 1HG GLU 57 HG2 GLU 57 9.623 10.070 10.070
444 2HG GLU 57 HG3 GLU 57 8.137 10.455 10.455
445 H LYS 58 HN LYS 58 5.771 11.911 11.911
446 HA LYS 58 HA LYS 58 5.715 14.472 14.472
447 1HB LYS 58 HB2 LYS 58 4.358 13.524 13.524
448 2HB LYS 58 HB3 LYS 58 3.241 13.008 13.008
449 1HG LYS 58 HG2 LYS 58 2.410 15.116 15.116
450 2HG LYS 58 HG3 LYS 58 3.927 15.649 15.649
451 1HD LYS 58 HD2 LYS 58 3.645 15.306 15.306
452 2HD LYS 58 HD3 LYS 58 3.090 16.772 16.772
453 1HE LYS 58 HE2 LYS 58 5.672 16.304 16.304
454 2HE LYS 58 HE3 LYS 58 5.829 15.934 15.934
455 1HZ LYS 58 HZ1 LYS 58 4.464 18.146 18.146
456 2HZ LYS 58 HZ2 LYS 58 5.179 18.448 18.448
457 3HZ LYS 58 HZ3 LYS 58 6.093 18.151 18.151
458 H ASP 59 HN ASP 59 3.450 11.698 11.698
459 HA ASP 59 HA ASP 59 4.081 10.799 10.799
460 1HB ASP 59 HB2 ASP 59 4.263 12.926 12.926
461 2HB ASP 59 HB3 ASP 59 2.809 13.538 13.538
462 H ILE 60 HN ILE 60 1.971 10.121 10.121
463 HA ILE 60 HA ILE 60 -0.134 9.641 9.641
464 HB ILE 60 HB ILE 60 0.064 8.225 8.225
465 1HG1 ILE 60 HG12 ILE 60 2.366 8.285 8.285
466 2HG1 ILE 60 HG13 ILE 60 1.693 6.689 6.689
467 1HG2 ILE 60 HG22 ILE 60 -1.841 7.984 7.984
468 2HG2 ILE 60 HG23 ILE 60 -0.665 7.119 7.119
469 3HG2 ILE 60 HG21 ILE 60 -1.073 6.493 6.493
470 1HD1 ILE 60 HD11 ILE 60 1.415 8.124 8.124
471 2HD1 ILE 60 HD12 ILE 60 2.809 7.089 7.089
472 3HD1 ILE 60 HD13 ILE 60 1.171 6.395 6.395
473 H GLU 61 HN GLU 61 -0.030 9.982 9.982
474 HA GLU 61 HA GLU 61 -1.150 11.269 11.269
475 1HB GLU 61 HB2 GLU 61 -1.149 12.859 12.859
476 2HB GLU 61 HB3 GLU 61 -2.705 13.041 13.041
477 1HG GLU 61 HG2 GLU 61 -0.979 13.196 13.196
478 2HG GLU 61 HG3 GLU 61 -0.016 13.937 13.937
479 H PHE 62 HN PHE 62 -2.491 9.361 9.361
480 HA PHE 62 HA PHE 62 -4.928 9.070 9.070
481 1HB PHE 62 HB2 PHE 62 -4.596 10.216 10.216
482 2HB PHE 62 HB3 PHE 62 -5.772 8.918 8.918
483 HD1 PHE 62 HD1 PHE 62 -7.659 9.118 9.118
484 HD2 PHE 62 HD2 PHE 62 -5.188 12.377 12.377
485 HE1 PHE 62 HE1 PHE 62 -9.388 10.725 10.725
486 HE2 PHE 62 HE2 PHE 62 -6.916 13.985 13.985
487 HZ PHE 62 HZ PHE 62 -8.996 13.139 13.139
488 H ILE 63 HN ILE 63 -4.455 6.967 6.967
489 HA ILE 63 HA ILE 63 -3.767 5.109 5.109
490 HB ILE 63 HB ILE 63 -3.580 4.428 4.428
491 1HG1 ILE 63 HG12 ILE 63 -2.437 6.757 6.757
492 2HG1 ILE 63 HG13 ILE 63 -1.836 5.753 5.753
493 1HG2 ILE 63 HG23 ILE 63 -2.325 3.534 3.534
494 2HG2 ILE 63 HG21 ILE 63 -1.469 3.282 3.282
495 3HG2 ILE 63 HG22 ILE 63 -3.085 2.577 2.577
496 1HD1 ILE 63 HD11 ILE 63 -0.983 5.259 5.259
497 2HD1 ILE 63 HD12 ILE 63 -0.149 6.447 6.447
498 3HD1 ILE 63 HD13 ILE 63 -0.180 4.730 4.730
499 H TYR 64 HN TYR 64 -4.706 2.786 2.786
500 HA TYR 64 HA TYR 64 -7.514 3.131 3.131
501 1HB TYR 64 HB2 TYR 64 -6.103 1.711 1.711
502 2HB TYR 64 HB3 TYR 64 -7.713 1.214 1.214
503 HD1 TYR 64 HD1 TYR 64 -5.921 4.444 4.444
504 HD2 TYR 64 HD2 TYR 64 -9.451 2.085 2.085
505 HE1 TYR 64 HE1 TYR 64 -6.926 6.264 6.264
506 HE2 TYR 64 HE2 TYR 64 -10.444 3.913 3.913
507 HH TYR 64 HH TYR 64 -9.334 6.981 6.981
508 H THR 65 HN THR 65 -8.491 1.385 1.385
509 HA THR 65 HA THR 65 -7.102 -1.077 -1.077
510 HB THR 65 HB THR 65 -5.755 0.430 0.430
511 HG1 THR 65 HG1 THR 65 -6.437 -1.856 -1.856
512 1HG2 THR 65 HG22 THR 65 -8.515 0.952 0.952
513 2HG2 THR 65 HG23 THR 65 -7.037 1.097 1.097
514 3HG2 THR 65 HG21 THR 65 -7.268 2.143 2.143
515 H ALA 66 HN ALA 66 -8.310 -1.924 -1.924
516 HA ALA 66 HA ALA 66 -11.107 -1.879 -1.879
517 1HB ALA 66 HB1 ALA 66 -9.285 -3.951 -3.951
518 2HB ALA 66 HB2 ALA 66 -10.506 -3.879 -3.879
519 3HB ALA 66 HB3 ALA 66 -11.013 -4.101 -4.101
520 HA PRO 67 HA PRO 67 -12.182 0.204 0.204
521 1HB PRO 67 HB2 PRO 67 -14.818 -0.474 -0.474
522 2HB PRO 67 HB3 PRO 67 -14.245 0.772 0.772
523 1HG PRO 67 HG2 PRO 67 -15.160 -1.966 -1.966
524 2HG PRO 67 HG3 PRO 67 -14.993 -0.588 -0.588
525 1HD PRO 67 HD2 PRO 67 -13.216 -2.831 -2.831
526 2HD PRO 67 HD3 PRO 67 -12.990 -1.400 -1.400
527 H SER 68 HN SER 68 -14.059 -0.444 -0.444
528 HA SER 68 HA SER 68 -14.209 -1.541 -1.541
529 1HB SER 68 HB2 SER 68 -13.886 -3.601 -3.601
530 2HB SER 68 HB3 SER 68 -12.943 -4.085 -4.085
531 HG SER 68 HG SER 68 -15.114 -3.287 -3.287
532 H SER 69 HN SER 69 -12.445 -3.587 -3.587
533 HA SER 69 HA SER 69 -10.348 -1.825 -1.825
534 1HB SER 69 HB2 SER 69 -11.484 -3.228 -3.228
535 2HB SER 69 HB3 SER 69 -11.020 -4.686 -4.686
536 HG SER 69 HG SER 69 -8.833 -3.052 -3.052
537 H ALA 70 HN ALA 70 -10.442 -2.890 -2.890
538 HA ALA 70 HA ALA 70 -8.736 -3.237 -3.237
539 1HB ALA 70 HB2 ALA 70 -7.254 -2.910 -2.910
540 2HB ALA 70 HB3 ALA 70 -6.979 -4.649 -4.649
541 3HB ALA 70 HB1 ALA 70 -6.560 -3.478 -3.478
542 H VAL 71 HN VAL 71 -9.936 -4.698 -4.698
543 HA VAL 71 HA VAL 71 -9.935 -7.463 -7.463
544 HB VAL 71 HB VAL 71 -11.974 -7.741 -7.741
545 1HG1 VAL 71 HG11 VAL 71 -12.201 -5.869 -5.869
546 2HG1 VAL 71 HG12 VAL 71 -11.922 -4.713 -4.713
547 3HG1 VAL 71 HG13 VAL 71 -13.378 -5.737 -5.737
548 1HG2 VAL 71 HG23 VAL 71 -11.087 -7.276 -7.276
549 2HG2 VAL 71 HG21 VAL 71 -12.785 -6.812 -6.812
550 3HG2 VAL 71 HG22 VAL 71 -11.512 -5.566 -5.566
551 H CYS 72 HN CYS 72 -9.212 -5.299 -5.299
552 HA CYS 72 HA CYS 72 -7.648 -7.516 -7.516
553 1HB CYS 72 HB2 CYS 72 -9.519 -5.628 -5.628
554 2HB CYS 72 HB3 CYS 72 -8.131 -6.267 -6.267
555 H GLY 73 HN GLY 73 -7.173 -5.107 -5.107
556 1HA GLY 73 HA1 GLY 73 -4.760 -4.180 -4.180
557 2HA GLY 73 HA2 GLY 73 -5.961 -2.946 -2.946
558 H VAL 74 HN VAL 74 -4.364 -1.961 -1.961
559 HA VAL 74 HA VAL 74 -4.171 -3.437 -3.437
560 HB VAL 74 HB VAL 74 -2.353 -1.268 -1.268
561 1HG1 VAL 74 HG13 VAL 74 -2.729 -2.218 -2.218
562 2HG1 VAL 74 HG11 VAL 74 -1.251 -3.026 -3.026
563 3HG1 VAL 74 HG12 VAL 74 -1.364 -1.250 -1.250
564 1HG2 VAL 74 HG21 VAL 74 -2.460 -3.673 -3.673
565 2HG2 VAL 74 HG22 VAL 74 -0.917 -2.831 -2.831
566 3HG2 VAL 74 HG23 VAL 74 -1.449 -4.107 -4.107
567 H SER 75 HN SER 75 -5.954 -1.137 -1.137
568 HA SER 75 HA SER 75 -6.870 0.808 0.808
569 1HB SER 75 HB2 SER 75 -7.915 -1.391 -1.391
570 2HB SER 75 HB3 SER 75 -7.756 -0.185 -0.185
571 HG SER 75 HG SER 75 -9.781 -0.327 -0.327
572 H LEU 76 HN LEU 76 -5.112 2.286 2.286
573 HA LEU 76 HA LEU 76 -4.191 2.535 2.535
574 1HB LEU 76 HB2 LEU 76 -2.912 4.021 4.021
575 2HB LEU 76 HB3 LEU 76 -2.211 3.357 3.357
576 HG LEU 76 HG LEU 76 -3.010 1.087 1.087
577 1HD1 LEU 76 HD13 LEU 76 -3.086 3.102 3.102
578 2HD1 LEU 76 HD11 LEU 76 -1.503 2.326 2.326
579 3HD1 LEU 76 HD12 LEU 76 -2.990 1.349 1.349
580 1HD2 LEU 76 HD23 LEU 76 -0.609 2.317 2.317
581 2HD2 LEU 76 HD21 LEU 76 -0.937 0.597 0.597
582 3HD2 LEU 76 HD22 LEU 76 -0.304 1.637 1.637
583 H ASP 77 HN ASP 77 -4.645 4.341 4.341
584 HA ASP 77 HA ASP 77 -6.220 6.354 6.354
585 1HB ASP 77 HB2 ASP 77 -7.618 6.546 6.546
586 2HB ASP 77 HB3 ASP 77 -7.211 4.844 4.844
587 H VAL 78 HN VAL 78 -3.248 5.623 5.623
588 HA VAL 78 HA VAL 78 -1.497 6.864 6.864
589 HB VAL 78 HB VAL 78 -3.277 8.823 8.823
590 1HG1 VAL 78 HG12 VAL 78 -1.418 9.632 9.632
591 2HG1 VAL 78 HG13 VAL 78 -1.471 10.640 10.640
592 3HG1 VAL 78 HG11 VAL 78 -2.956 10.358 10.358
593 1HG2 VAL 78 HG23 VAL 78 -0.844 7.476 7.476
594 2HG2 VAL 78 HG21 VAL 78 -1.713 8.626 8.626
595 3HG2 VAL 78 HG22 VAL 78 -0.458 9.212 9.212
596 H GLY 79 HN GLY 79 -4.559 8.435 8.435
597 1HA GLY 79 HA1 GLY 79 -3.660 9.522 9.522
598 2HA GLY 79 HA2 GLY 79 -5.268 8.872 8.872
599 H GLY 80 HN GLY 80 -3.681 6.160 6.160
600 1HA GLY 80 HA1 GLY 80 -3.445 5.381 5.381
601 2HA GLY 80 HA2 GLY 80 -4.082 4.353 4.353
602 H LYS 81 HN LYS 81 -2.132 5.131 5.131
603 HA LYS 81 HA LYS 81 0.149 3.649 3.649
604 1HB LYS 81 HB2 LYS 81 0.419 3.772 3.772
605 2HB LYS 81 HB3 LYS 81 -0.162 2.412 2.412
606 1HG LYS 81 HG2 LYS 81 -2.018 4.659 4.659
607 2HG LYS 81 HG3 LYS 81 -1.693 3.270 3.270
608 1HD LYS 81 HD2 LYS 81 -3.016 1.889 1.889
609 2HD LYS 81 HD3 LYS 81 -2.375 2.494 2.494
610 1HE LYS 81 HE2 LYS 81 -4.199 3.808 3.808
611 2HE LYS 81 HE3 LYS 81 -3.957 4.588 4.588
612 1HZ LYS 81 HZ3 LYS 81 -4.949 2.355 2.355
613 2HZ LYS 81 HZ1 LYS 81 -5.607 2.297 2.297
614 3HZ LYS 81 HZ2 LYS 81 -5.924 3.561 3.561
615 H LYS 82 HN LYS 82 0.390 5.562 5.562
616 HA LYS 82 HA LYS 82 1.159 7.997 7.997
617 1HB LYS 82 HB2 LYS 82 3.712 7.725 7.725
618 2HB LYS 82 HB3 LYS 82 2.816 7.272 7.272
619 1HG LYS 82 HG2 LYS 82 2.880 4.944 4.944
620 2HG LYS 82 HG3 LYS 82 4.499 5.613 5.613
621 1HD LYS 82 HD2 LYS 82 4.903 4.799 4.799
622 2HD LYS 82 HD3 LYS 82 3.604 5.779 5.779
623 1HE LYS 82 HE2 LYS 82 2.089 4.028 4.028
624 2HE LYS 82 HE3 LYS 82 2.732 3.315 3.315
625 1HZ LYS 82 HZ3 LYS 82 4.522 3.268 3.268
626 2HZ LYS 82 HZ1 LYS 82 3.175 2.365 2.365
627 3HZ LYS 82 HZ2 LYS 82 4.167 2.093 2.093
628 H GLU 83 HN GLU 83 3.393 5.847 5.847
629 HA GLU 83 HA GLU 83 2.184 6.740 6.740
630 1HB GLU 83 HB2 GLU 83 5.166 7.176 7.176
631 2HB GLU 83 HB3 GLU 83 4.085 7.844 7.844
632 1HG GLU 83 HG2 GLU 83 4.370 9.686 9.686
633 2HG GLU 83 HG3 GLU 83 2.890 8.995 8.995
634 H TYR 84 HN TYR 84 2.792 5.409 5.409
635 HA TYR 84 HA TYR 84 4.371 3.043 3.043
636 1HB TYR 84 HB2 TYR 84 2.620 1.810 1.810
637 2HB TYR 84 HB3 TYR 84 1.948 2.508 2.508
638 HD1 TYR 84 HD2 TYR 84 2.608 3.593 3.593
639 HD2 TYR 84 HD1 TYR 84 -0.097 3.566 3.566
640 HE1 TYR 84 HE2 TYR 84 0.885 4.847 4.847
641 HE2 TYR 84 HE1 TYR 84 -1.811 4.819 4.819
642 HH TYR 84 HH TYR 84 -2.087 4.903 4.903
643 H LEU 85 HN LEU 85 5.414 1.950 1.950
644 HA LEU 85 HA LEU 85 6.192 3.856 3.856
645 1HB LEU 85 HB2 LEU 85 7.821 2.099 2.099
646 2HB LEU 85 HB3 LEU 85 7.945 2.667 2.667
647 HG LEU 85 HG LEU 85 8.117 0.109 0.109
648 1HD1 LEU 85 HD11 LEU 85 7.786 1.529 1.529
649 2HD1 LEU 85 HD12 LEU 85 6.383 0.436 0.436
650 3HD1 LEU 85 HD13 LEU 85 8.026 -0.233 -0.233
651 1HD2 LEU 85 HD23 LEU 85 6.001 -0.055 -0.055
652 2HD2 LEU 85 HD21 LEU 85 5.990 -1.085 -1.085
653 3HD2 LEU 85 HD22 LEU 85 5.119 0.466 0.466
654 H ILE 86 HN ILE 86 3.521 1.996 1.996
655 HA ILE 86 HA ILE 86 2.551 0.439 0.439
656 HB ILE 86 HB ILE 86 1.975 3.253 3.253
657 1HG1 ILE 86 HG12 ILE 86 -0.300 2.493 2.493
658 2HG1 ILE 86 HG13 ILE 86 0.123 0.900 0.900
659 1HG2 ILE 86 HG23 ILE 86 1.658 1.756 1.756
660 2HG2 ILE 86 HG21 ILE 86 0.517 3.041 3.041
661 3HG2 ILE 86 HG22 ILE 86 2.249 3.410 3.410
662 1HD1 ILE 86 HD12 ILE 86 1.801 1.529 1.529
663 2HD1 ILE 86 HD13 ILE 86 0.091 1.786 1.786
664 3HD1 ILE 86 HD11 ILE 86 0.629 0.204 0.204
665 H ALA 87 HN ALA 87 3.680 -0.946 -0.946
666 HA ALA 87 HA ALA 87 4.701 0.203 0.203
667 1HB ALA 87 HB1 ALA 87 6.150 -1.129 -1.129
668 2HB ALA 87 HB2 ALA 87 6.232 -2.094 -2.094
669 3HB ALA 87 HB3 ALA 87 6.772 -0.399 -0.399
670 H GLY 88 HN GLY 88 3.319 -0.504 -0.504
671 1HA GLY 88 HA1 GLY 88 2.769 -3.382 -3.382
672 2HA GLY 88 HA2 GLY 88 1.405 -2.283 -2.283
673 H LYS 89 HN LYS 89 1.682 -3.927 -3.927
674 HA LYS 89 HA LYS 89 3.171 -3.290 -3.290
675 1HB LYS 89 HB2 LYS 89 1.131 -4.891 -4.891
676 2HB LYS 89 HB3 LYS 89 0.194 -3.556 -3.556
677 1HG LYS 89 HG2 LYS 89 1.021 -3.833 -3.833
678 2HG LYS 89 HG3 LYS 89 2.667 -4.027 -4.027
679 1HD LYS 89 HD2 LYS 89 1.748 -6.394 -6.394
680 2HD LYS 89 HD3 LYS 89 0.528 -6.127 -6.127
681 1HE LYS 89 HE2 LYS 89 3.218 -5.508 -5.508
682 2HE LYS 89 HE3 LYS 89 3.132 -7.149 -7.149
683 1HZ LYS 89 HZ2 LYS 89 0.842 -6.493 -6.493
684 2HZ LYS 89 HZ3 LYS 89 2.202 -6.275 -6.275
685 3HZ LYS 89 HZ1 LYS 89 1.892 -7.728 -7.728
686 H ALA 90 HN ALA 90 0.610 -1.260 -1.260
687 HA ALA 90 HA ALA 90 0.347 0.953 0.953
688 1HB ALA 90 HB2 ALA 90 2.894 0.802 0.802
689 2HB ALA 90 HB3 ALA 90 2.190 1.230 1.230
690 3HB ALA 90 HB1 ALA 90 1.959 2.307 2.307
691 H GLU 91 HN GLU 91 -0.395 2.628 2.628
692 HA GLU 91 HA GLU 91 -1.744 1.076 1.076
693 1HB GLU 91 HB2 GLU 91 -3.174 1.742 1.742
694 2HB GLU 91 HB3 GLU 91 -3.214 3.325 3.325
695 1HG GLU 91 HG2 GLU 91 -5.176 1.939 1.939
696 2HG GLU 91 HG3 GLU 91 -4.200 2.390 2.390
697 H GLY 92 HN GLY 92 0.547 3.268 3.268
698 1HA GLY 92 HA1 GLY 92 1.268 4.361 4.361
699 2HA GLY 92 HA2 GLY 92 -0.322 5.098 5.098
700 H ASP 93 HN ASP 93 -0.327 7.194 7.194
701 HA ASP 93 HA ASP 93 1.411 7.821 7.821
702 1HB ASP 93 HB2 ASP 93 1.444 8.902 8.902
703 2HB ASP 93 HB3 ASP 93 0.971 10.177 10.177
704 H GLY 94 HN GLY 94 0.489 9.408 9.408
705 1HA GLY 94 HA1 GLY 94 -1.105 10.732 10.732
706 2HA GLY 94 HA2 GLY 94 -1.990 10.725 10.725
707 H LYS 95 HN LYS 95 -1.365 7.502 7.502
708 HA LYS 95 HA LYS 95 -3.085 6.838 6.838
709 1HB LYS 95 HB2 LYS 95 -5.140 6.374 6.374
710 2HB LYS 95 HB3 LYS 95 -4.710 7.918 7.918
711 1HG LYS 95 HG2 LYS 95 -4.131 5.236 5.236
712 2HG LYS 95 HG3 LYS 95 -5.575 6.179 6.179
713 1HD LYS 95 HD2 LYS 95 -2.698 7.098 7.098
714 2HD LYS 95 HD3 LYS 95 -3.843 6.634 6.634
715 1HE LYS 95 HE2 LYS 95 -4.011 9.049 9.049
716 2HE LYS 95 HE3 LYS 95 -3.831 9.061 9.061
717 1HZ LYS 95 HZ1 LYS 95 -6.014 7.988 7.988
718 2HZ LYS 95 HZ2 LYS 95 -6.182 8.124 8.124
719 3HZ LYS 95 HZ3 LYS 95 -6.083 9.465 9.465
720 H MET 96 HN MET 96 -3.146 4.553 4.553
721 HA MET 96 HA MET 96 -1.964 2.939 2.939
722 1HB MET 96 HB2 MET 96 -0.439 2.026 2.026
723 2HB MET 96 HB3 MET 96 0.119 3.297 3.297
724 1HG MET 96 HG2 MET 96 0.037 4.875 4.875
725 2HG MET 96 HG3 MET 96 -1.556 4.367 4.367
726 1HE MET 96 HE2 MET 96 2.018 4.420 4.420
727 2HE MET 96 HE3 MET 96 1.518 4.978 4.978
728 3HE MET 96 HE1 MET 96 2.451 3.472 3.472
729 H HIS 97 HN HIS 97 -1.474 0.603 0.603
730 HA HIS 97 HA HIS 97 -4.048 0.154 0.154
731 1HB HIS 97 HB2 HIS 97 -2.946 -1.120 -1.120
732 2HB HIS 97 HB3 HIS 97 -3.387 -2.279 -2.279
733 HD1 HIS 97 HD1 HIS 97 -4.979 -2.153 -2.153
734 HD2 HIS 97 HD2 HIS 97 -6.044 -0.064 -0.064
735 HE1 HIS 97 HE1 HIS 97 -7.480 -1.677 -1.677
736 H ILE 98 HN ILE 98 -3.932 -0.898 -0.898
737 HA ILE 98 HA ILE 98 -1.519 -2.389 -2.389
738 HB ILE 98 HB ILE 98 -1.131 -1.183 -1.183
739 1HG1 ILE 98 HG12 ILE 98 -3.380 0.596 0.596
740 2HG1 ILE 98 HG13 ILE 98 -3.289 -0.311 -0.311
741 1HG2 ILE 98 HG22 ILE 98 -0.142 -0.561 -0.561
742 2HG2 ILE 98 HG23 ILE 98 -1.067 0.941 0.941
743 3HG2 ILE 98 HG21 ILE 98 0.174 0.460 0.460
744 1HD1 ILE 98 HD11 ILE 98 -1.105 1.688 1.688
745 2HD1 ILE 98 HD12 ILE 98 -2.703 2.295 2.295
746 3HD1 ILE 98 HD13 ILE 98 -1.806 1.186 1.186
747 H THR 99 HN THR 99 -1.937 -4.144 -4.144
748 HA THR 99 HA THR 99 -4.532 -4.197 -4.197
749 HB THR 99 HB THR 99 -4.672 -6.635 -6.635
750 HG1 THR 99 HG1 THR 99 -3.222 -6.999 -6.999
751 1HG2 THR 99 HG23 THR 99 -5.453 -4.115 -4.115
752 2HG2 THR 99 HG21 THR 99 -4.886 -5.194 -5.194
753 3HG2 THR 99 HG22 THR 99 -6.207 -5.712 -5.712
754 H LEU 100 HN LEU 100 -4.672 -6.022 -6.022
755 HA LEU 100 HA LEU 100 -2.435 -5.899 -5.899
756 1HB LEU 100 HB2 LEU 100 -3.746 -6.918 -6.918
757 2HB LEU 100 HB3 LEU 100 -4.992 -6.378 -6.378
758 HG LEU 100 HG LEU 100 -3.980 -9.037 -9.037
759 1HD1 LEU 100 HD11 LEU 100 -4.623 -8.461 -8.461
760 2HD1 LEU 100 HD12 LEU 100 -5.518 -9.830 -9.830
761 3HD1 LEU 100 HD13 LEU 100 -3.738 -9.824 -9.824
762 1HD2 LEU 100 HD21 LEU 100 -6.622 -7.668 -7.668
763 2HD2 LEU 100 HD22 LEU 100 -5.941 -8.488 -8.488
764 3HD2 LEU 100 HD23 LEU 100 -6.552 -9.446 -9.446
765 H CYS 101 HN CYS 101 -3.362 -8.054 -8.054
766 HA CYS 101 HA CYS 101 -1.561 -10.119 -10.119
767 1HB CYS 101 HB2 CYS 101 -2.298 -10.097 -10.097
768 2HB CYS 101 HB3 CYS 101 -2.550 -11.323 -11.323
769 H ASP 102 HN ASP 102 -1.483 -7.083 -7.083
770 HA ASP 102 HA ASP 102 0.930 -7.753 -7.753
771 1HB ASP 102 HB2 ASP 102 -0.986 -6.083 -6.083
772 2HB ASP 102 HB3 ASP 102 -0.184 -4.950 -4.950
773 H PHE 103 HN PHE 103 2.789 -5.913 -5.913
774 HA PHE 103 HA PHE 103 3.652 -6.054 -6.054
775 1HB PHE 103 HB2 PHE 103 5.283 -6.133 -6.133
776 2HB PHE 103 HB3 PHE 103 4.548 -4.775 -4.775
777 HD1 PHE 103 HD2 PHE 103 5.018 -4.477 -4.477
778 HD2 PHE 103 HD1 PHE 103 6.810 -3.791 -3.791
779 HE1 PHE 103 HE2 PHE 103 6.679 -2.927 -2.927
780 HE2 PHE 103 HE1 PHE 103 8.471 -2.242 -2.242
781 HZ PHE 103 HZ PHE 103 8.386 -1.829 -1.829
782 H ILE 104 HN ILE 104 3.120 -4.702 -4.702
783 HA ILE 104 HA ILE 104 3.105 -1.896 -1.896
784 HB ILE 104 HB ILE 104 0.653 -1.733 -1.733
785 1HG1 ILE 104 HG12 ILE 104 0.576 -4.409 -4.409
786 2HG1 ILE 104 HG13 ILE 104 0.290 -4.146 -4.146
787 1HG2 ILE 104 HG23 ILE 104 1.885 -1.263 -1.263
788 2HG2 ILE 104 HG21 ILE 104 0.629 -2.421 -2.421
789 3HG2 ILE 104 HG22 ILE 104 0.172 -0.916 -0.916
790 1HD1 ILE 104 HD12 ILE 104 -1.575 -2.492 -2.492
791 2HD1 ILE 104 HD13 ILE 104 -1.400 -3.210 -3.210
792 3HD1 ILE 104 HD11 ILE 104 -1.886 -4.228 -4.228
793 H VAL 105 HN VAL 105 3.577 -0.906 -0.906
794 HA VAL 105 HA VAL 105 2.872 -2.197 -2.197
795 HB VAL 105 HB VAL 105 5.558 -1.850 -1.850
796 1HG1 VAL 105 HG12 VAL 105 3.668 -4.085 -4.085
797 2HG1 VAL 105 HG13 VAL 105 5.365 -4.545 -4.545
798 3HG1 VAL 105 HG11 VAL 105 4.895 -3.762 -3.762
799 1HG2 VAL 105 HG23 VAL 105 5.198 -3.027 -3.027
800 2HG2 VAL 105 HG21 VAL 105 6.121 -1.573 -1.573
801 3HG2 VAL 105 HG22 VAL 105 6.680 -3.179 -3.179
802 HA PRO 106 HA PRO 106 3.045 1.936 1.936
803 1HB PRO 106 HB2 PRO 106 3.409 1.735 1.735
804 2HB PRO 106 HB3 PRO 106 1.857 1.500 1.500
805 1HG PRO 106 HG2 PRO 106 3.692 -0.525 -0.525
806 2HG PRO 106 HG3 PRO 106 1.988 -0.680 -0.680
807 1HD PRO 106 HD2 PRO 106 4.192 -1.698 -1.698
808 2HD PRO 106 HD3 PRO 106 2.498 -1.751 -1.751
809 H TRP 107 HN TRP 107 5.680 0.294 0.294
810 HA TRP 107 HA TRP 107 7.798 0.915 0.915
811 1HB TRP 107 HB2 TRP 107 6.851 3.141 3.141
812 2HB TRP 107 HB3 TRP 107 7.011 3.631 3.631
813 HD1 TRP 107 HD1 TRP 107 9.556 1.973 1.973
814 HE1 TRP 107 HE1 TRP 107 11.865 3.247 3.247
815 HE3 TRP 107 HE3 TRP 107 8.134 5.440 5.440
816 HZ2 TRP 107 HZ2 TRP 107 12.818 5.511 5.511
817 HZ3 TRP 107 HZ3 TRP 107 9.814 7.147 7.147
818 HH2 TRP 107 HH2 TRP 107 12.086 7.218 7.218
819 H ASP 108 HN ASP 108 6.481 2.529 2.529
820 HA ASP 108 HA ASP 108 8.766 1.945 1.945
821 1HB ASP 108 HB2 ASP 108 7.172 3.749 3.749
822 2HB ASP 108 HB3 ASP 108 5.904 2.572 2.572
823 H THR 109 HN THR 109 8.302 -0.485 -0.485
824 HA THR 109 HA THR 109 7.721 -2.168 -2.168
825 HB THR 109 HB THR 109 5.933 -3.429 -3.429
826 HG1 THR 109 HG1 THR 109 6.110 -2.301 -2.301
827 1HG2 THR 109 HG23 THR 109 5.418 -1.877 -1.877
828 2HG2 THR 109 HG21 THR 109 5.112 -0.604 -0.604
829 3HG2 THR 109 HG22 THR 109 4.114 -2.078 -2.078
830 H LEU 110 HN LEU 110 8.035 -2.121 -2.121
831 HA LEU 110 HA LEU 110 8.909 -4.057 -4.057
832 1HB LEU 110 HB2 LEU 110 11.142 -2.180 -2.180
833 2HB LEU 110 HB3 LEU 110 11.147 -3.275 -3.275
834 HG LEU 110 HG LEU 110 9.175 -1.001 -1.001
835 1HD1 LEU 110 HD13 LEU 110 11.538 -0.224 -0.224
836 2HD1 LEU 110 HD11 LEU 110 11.636 -1.054 -1.054
837 3HD1 LEU 110 HD12 LEU 110 10.489 0.288 0.288
838 1HD2 LEU 110 HD23 LEU 110 9.170 -3.250 -3.250
839 2HD2 LEU 110 HD21 LEU 110 8.096 -1.831 -1.831
840 3HD2 LEU 110 HD22 LEU 110 9.593 -1.838 -1.838
841 H SER 111 HN SER 111 11.970 -3.637 -3.637
842 HA SER 111 HA SER 111 12.142 -4.980 -4.980
843 1HB SER 111 HB2 SER 111 11.151 -6.922 -6.922
844 2HB SER 111 HB3 SER 111 12.386 -7.508 -7.508
845 HG SER 111 HG SER 111 9.718 -6.651 -6.651
846 H THR 112 HN THR 112 13.086 -5.325 -5.325
847 HA THR 112 HA THR 112 15.557 -4.378 -4.378
848 HB THR 112 HB THR 112 15.457 -6.981 -6.981
849 HG1 THR 112 HG1 THR 112 17.236 -4.668 -4.668
850 1HG2 THR 112 HG23 THR 112 17.580 -6.295 -6.295
851 2HG2 THR 112 HG21 THR 112 17.938 -7.310 -7.310
852 3HG2 THR 112 HG22 THR 112 16.733 -7.845 -7.845
853 H THR 113 HN THR 113 14.457 -7.739 -7.739
854 HA THR 113 HA THR 113 15.600 -7.840 -7.840
855 HB THR 113 HB THR 113 13.096 -9.056 -9.056
856 HG1 THR 113 HG1 THR 113 15.363 -9.608 -9.608
857 1HG2 THR 113 HG23 THR 113 13.262 -8.896 -8.896
858 2HG2 THR 113 HG21 THR 113 14.356 -10.273 -10.273
859 3HG2 THR 113 HG22 THR 113 12.667 -10.353 -10.353
860 H GLN 114 HN GLN 114 12.893 -5.880 -5.880
861 HA GLN 114 HA GLN 114 12.018 -5.484 -5.484
862 1HB GLN 114 HB2 GLN 114 11.077 -4.631 -4.631
863 2HB GLN 114 HB3 GLN 114 10.573 -3.668 -3.668
864 1HG GLN 114 HG2 GLN 114 8.871 -5.214 -5.214
865 2HG GLN 114 HG3 GLN 114 10.046 -6.132 -6.132
866 1HE2 GLN 114 HE22 GLN 114 11.029 -8.210 -8.210
867 2HE2 GLN 114 HE21 GLN 114 11.741 -7.219 -7.219
868 H LYS 115 HN LYS 115 13.832 -3.769 -3.769
869 HA LYS 115 HA LYS 115 13.962 -1.297 -1.297
870 1HB LYS 115 HB2 LYS 115 15.052 -2.540 -2.540
871 2HB LYS 115 HB3 LYS 115 16.204 -1.466 -1.466
872 1HG LYS 115 HG2 LYS 115 14.898 0.424 0.424
873 2HG LYS 115 HG3 LYS 115 13.389 -0.452 -0.452
874 1HD LYS 115 HD2 LYS 115 15.230 -0.345 -0.345
875 2HD LYS 115 HD3 LYS 115 13.563 0.188 0.188
876 1HE LYS 115 HE2 LYS 115 13.041 -2.330 -2.330
877 2HE LYS 115 HE3 LYS 115 14.629 -2.655 -2.655
878 1HZ LYS 115 HZ3 LYS 115 13.759 -1.245 -1.245
879 2HZ LYS 115 HZ1 LYS 115 12.279 -1.601 -1.601
880 3HZ LYS 115 HZ2 LYS 115 13.284 -2.802 -2.802
881 H LYS 116 HN LYS 116 15.962 -4.276 -4.276
882 HA LYS 116 HA LYS 116 18.095 -3.189 -3.189
883 1HB LYS 116 HB2 LYS 116 18.790 -5.440 -5.440
884 2HB LYS 116 HB3 LYS 116 18.072 -5.350 -5.350
885 1HG LYS 116 HG2 LYS 116 16.683 -7.041 -7.041
886 2HG LYS 116 HG3 LYS 116 15.901 -5.948 -5.948
887 1HD LYS 116 HD2 LYS 116 18.478 -7.219 -7.219
888 2HD LYS 116 HD3 LYS 116 17.069 -8.257 -8.257
889 1HE LYS 116 HE2 LYS 116 16.365 -7.444 -7.444
890 2HE LYS 116 HE3 LYS 116 16.168 -5.864 -5.864
891 1HZ LYS 116 HZ2 LYS 116 18.862 -6.214 -6.214
892 2HZ LYS 116 HZ3 LYS 116 18.107 -6.691 -6.691
893 3HZ LYS 116 HZ1 LYS 116 17.849 -5.192 -5.192
894 H SER 117 HN SER 117 14.806 -3.843 -3.843
895 HA SER 117 HA SER 117 15.498 -4.079 -4.079
896 1HB SER 117 HB2 SER 117 13.497 -5.216 -5.216
897 2HB SER 117 HB3 SER 117 12.639 -3.834 -3.834
898 HG SER 117 HG SER 117 13.106 -6.132 -6.132
899 H LEU 118 HN LEU 118 14.930 -1.649 -1.649
900 HA LEU 118 HA LEU 118 13.602 0.172 0.172
901 1HB LEU 118 HB2 LEU 118 14.696 0.598 0.598
902 2HB LEU 118 HB3 LEU 118 13.694 1.719 1.719
903 HG LEU 118 HG LEU 118 12.830 -1.050 -1.050
904 1HD1 LEU 118 HD11 LEU 118 13.220 0.469 0.469
905 2HD1 LEU 118 HD12 LEU 118 12.091 1.642 1.642
906 3HD1 LEU 118 HD13 LEU 118 11.502 0.046 0.046
907 1HD2 LEU 118 HD23 LEU 118 11.481 1.138 1.138
908 2HD2 LEU 118 HD21 LEU 118 11.491 -0.619 -0.619
909 3HD2 LEU 118 HD22 LEU 118 10.521 0.065 0.065
910 H ASN 119 HN ASN 119 16.833 -0.820 -0.820
911 HA ASN 119 HA ASN 119 17.991 1.662 1.662
912 1HB ASN 119 HB2 ASN 119 19.522 0.744 0.744
913 2HB ASN 119 HB3 ASN 119 18.887 -0.875 -0.875
914 1HD2 ASN 119 HD22 ASN 119 21.086 -1.872 -1.872
915 2HD2 ASN 119 HD21 ASN 119 19.574 -2.147 -2.147
916 H HIS 120 HN HIS 120 17.783 -1.780 -1.780
917 HA HIS 120 HA HIS 120 19.113 -1.157 -1.157
918 1HB HIS 120 HB2 HIS 120 19.027 -3.436 -3.436
919 2HB HIS 120 HB3 HIS 120 19.161 -3.366 -3.366
920 HD1 HIS 120 HD1 HIS 120 18.082 -5.940 -5.940
921 HD2 HIS 120 HD2 HIS 120 15.578 -2.610 -2.610
922 HE1 HIS 120 HE1 HIS 120 15.718 -6.858 -6.858
923 H ARG 121 HN ARG 121 17.126 0.689 0.689
924 HA ARG 121 HA ARG 121 15.496 1.558 1.558
925 1HB ARG 121 HB2 ARG 121 15.618 -0.869 -0.869
926 2HB ARG 121 HB3 ARG 121 14.872 0.672 0.672
927 1HG ARG 121 HG2 ARG 121 17.832 0.358 0.358
928 2HG ARG 121 HG3 ARG 121 17.216 0.353 0.353
929 1HD ARG 121 HD2 ARG 121 16.335 2.635 2.635
930 2HD ARG 121 HD3 ARG 121 16.737 2.644 2.644
931 HE ARG 121 HE ARG 121 18.594 3.031 3.031
932 1HH1 ARG 121 HH22 ARG 121 18.306 2.120 2.120
933 2HH1 ARG 121 HH21 ARG 121 19.949 2.520 2.520
934 1HH2 ARG 121 HH12 ARG 121 20.760 3.559 3.559
935 2HH2 ARG 121 HH11 ARG 121 21.354 3.344 3.344
936 H TYR 122 HN TYR 122 14.754 -1.963 -1.963
937 HA TYR 122 HA TYR 122 12.902 -2.267 -2.267
938 1HB TYR 122 HB2 TYR 122 10.807 -1.784 -1.784
939 2HB TYR 122 HB3 TYR 122 11.827 -0.399 -0.399
940 HD1 TYR 122 HD1 TYR 122 13.360 -0.723 -0.723
941 HD2 TYR 122 HD2 TYR 122 9.638 -2.690 -2.690
942 HE1 TYR 122 HE1 TYR 122 13.032 -1.092 -1.092
943 HE2 TYR 122 HE2 TYR 122 9.324 -3.052 -3.052
944 HH TYR 122 HH TYR 122 11.749 -1.860 -1.860
945 H GLN 123 HN GLN 123 13.973 -2.971 -2.971
946 HA GLN 123 HA GLN 123 13.659 -5.767 -5.767
947 1HB GLN 123 HB2 GLN 123 11.554 -5.202 -5.202
948 2HB GLN 123 HB3 GLN 123 12.448 -4.489 -4.489
949 1HG GLN 123 HG2 GLN 123 13.564 -7.072 -7.072
950 2HG GLN 123 HG3 GLN 123 11.846 -7.315 -7.315
951 1HE2 GLN 123 HE22 GLN 123 12.565 -7.655 -7.655
952 2HE2 GLN 123 HE21 GLN 123 13.034 -8.428 -8.428
953 H MET 124 HN MET 124 16.071 -4.955 -4.955
954 HA MET 124 HA MET 124 17.370 -4.485 -4.485
955 1HB MET 124 HB2 MET 124 18.016 -4.622 -4.622
956 2HB MET 124 HB3 MET 124 19.300 -5.296 -5.296
957 1HG MET 124 HG2 MET 124 18.383 -2.850 -2.850
958 2HG MET 124 HG3 MET 124 18.678 -2.520 -2.520
959 1HE MET 124 HE3 MET 124 19.738 -2.279 -2.279
960 2HE MET 124 HE1 MET 124 21.501 -2.051 -2.051
961 3HE MET 124 HE2 MET 124 20.827 -3.643 -3.643
962 H GLY 125 HN GLY 125 16.036 -6.689 -6.689
963 1HA GLY 125 HA1 GLY 125 16.211 -8.801 -8.801
964 2HA GLY 125 HA2 GLY 125 17.944 -8.540 -8.540
965 H CYS 126 HN CYS 126 16.025 -8.297 -8.297
966 HA CYS 126 HA CYS 126 17.715 -10.056 -10.056
967 1HB CYS 126 HB2 CYS 126 16.519 -9.551 -9.551
968 2HB CYS 126 HB3 CYS 126 16.094 -8.185 -8.185
969 H GLU 127 HN GLU 127 16.114 -11.853 -11.853
970 HA GLU 127 HA GLU 127 14.273 -13.244 -13.244
971 1HB GLU 127 HB2 GLU 127 16.257 -13.705 -13.705
972 2HB GLU 127 HB3 GLU 127 17.052 -14.498 -14.498
973 1HG GLU 127 HG2 GLU 127 16.060 -16.332 -16.332
974 2HG GLU 127 HG3 GLU 127 14.833 -15.941 -15.941
Start of MODEL 17
1 H CYS 1 HN CYS 1 -7.165 -9.164 -9.164
2 HA CYS 1 HA CYS 1 -9.141 -9.024 -9.024
3 1HB CYS 1 HB2 CYS 1 -8.773 -10.711 -10.711
4 2HB CYS 1 HB3 CYS 1 -10.189 -10.947 -10.947
5 H SER 2 HN SER 2 -8.189 -9.763 -9.763
6 HA SER 2 HA SER 2 -7.924 -11.188 -11.188
7 1HB SER 2 HB2 SER 2 -8.936 -13.686 -13.686
8 2HB SER 2 HB3 SER 2 -9.732 -12.530 -12.530
9 HG SER 2 HG SER 2 -10.144 -13.063 -13.063
10 H CYS 3 HN CYS 3 -6.245 -11.232 -11.232
11 HA CYS 3 HA CYS 3 -5.084 -13.745 -13.745
12 1HB CYS 3 HB2 CYS 3 -3.529 -11.248 -11.248
13 2HB CYS 3 HB3 CYS 3 -3.518 -12.786 -12.786
14 H SER 4 HN SER 4 -2.539 -13.977 -13.977
15 HA SER 4 HA SER 4 -2.236 -13.164 -13.164
16 1HB SER 4 HB2 SER 4 -0.863 -15.131 -15.131
17 2HB SER 4 HB3 SER 4 -2.331 -15.634 -15.634
18 HG SER 4 HG SER 4 -0.744 -16.617 -16.617
19 HA PRO 5 HA PRO 5 1.005 -10.730 -10.730
20 1HB PRO 5 HB2 PRO 5 1.357 -9.055 -9.055
21 2HB PRO 5 HB3 PRO 5 0.184 -8.759 -8.759
22 1HG PRO 5 HG2 PRO 5 -0.272 -9.716 -9.716
23 2HG PRO 5 HG3 PRO 5 -1.421 -9.018 -9.018
24 1HD PRO 5 HD2 PRO 5 -1.147 -11.792 -11.792
25 2HD PRO 5 HD3 PRO 5 -2.216 -11.107 -11.107
26 H VAL 6 HN VAL 6 3.082 -11.258 -11.258
27 HA VAL 6 HA VAL 6 4.573 -11.819 -11.819
28 HB VAL 6 HB VAL 6 3.381 -13.950 -13.950
29 1HG1 VAL 6 HG13 VAL 6 4.429 -13.331 -13.331
30 2HG1 VAL 6 HG11 VAL 6 5.092 -14.890 -14.890
31 3HG1 VAL 6 HG12 VAL 6 3.330 -14.643 -14.643
32 1HG2 VAL 6 HG21 VAL 6 6.226 -13.521 -13.521
33 2HG2 VAL 6 HG22 VAL 6 5.091 -14.673 -14.673
34 3HG2 VAL 6 HG23 VAL 6 5.907 -15.087 -15.087
35 H HIS 7 HN HIS 7 6.320 -13.439 -13.439
36 HA HIS 7 HA HIS 7 8.257 -12.830 -12.830
37 1HB HIS 7 HB2 HIS 7 7.709 -11.376 -11.376
38 2HB HIS 7 HB3 HIS 7 7.248 -13.062 -13.062
39 HD1 HIS 7 HD1 HIS 7 4.864 -13.532 -13.532
40 HD2 HIS 7 HD2 HIS 7 5.412 -9.599 -9.599
41 HE1 HIS 7 HE1 HIS 7 2.592 -12.386 -12.386
42 HA PRO 8 HA PRO 8 8.941 -8.890 -8.890
43 1HB PRO 8 HB2 PRO 8 11.306 -9.549 -9.549
44 2HB PRO 8 HB3 PRO 8 9.749 -9.750 -9.750
45 1HG PRO 8 HG2 PRO 8 11.512 -11.811 -11.811
46 2HG PRO 8 HG3 PRO 8 10.192 -12.014 -12.014
47 1HD PRO 8 HD2 PRO 8 10.140 -12.578 -12.578
48 2HD PRO 8 HD3 PRO 8 8.790 -12.670 -12.670
49 H GLN 9 HN GLN 9 10.159 -10.435 -10.435
50 HA GLN 9 HA GLN 9 11.769 -8.093 -8.093
51 1HB GLN 9 HB2 GLN 9 13.344 -9.872 -9.872
52 2HB GLN 9 HB3 GLN 9 12.634 -10.979 -10.979
53 1HG GLN 9 HG2 GLN 9 13.965 -10.170 -10.170
54 2HG GLN 9 HG3 GLN 9 13.316 -8.559 -8.559
55 1HE2 GLN 9 HE22 GLN 9 15.818 -7.655 -7.655
56 2HE2 GLN 9 HE21 GLN 9 14.098 -7.676 -7.676
57 H GLN 10 HN GLN 10 10.038 -11.041 -11.041
58 HA GLN 10 HA GLN 10 10.115 -10.397 -10.397
59 1HB GLN 10 HB2 GLN 10 9.188 -12.450 -12.450
60 2HB GLN 10 HB3 GLN 10 9.005 -12.435 -12.435
61 1HG GLN 10 HG2 GLN 10 6.780 -12.707 -12.707
62 2HG GLN 10 HG3 GLN 10 6.854 -10.963 -10.963
63 1HE2 GLN 10 HE22 GLN 10 5.186 -11.677 -11.677
64 2HE2 GLN 10 HE21 GLN 10 4.911 -11.893 -11.893
65 H ALA 11 HN ALA 11 8.660 -8.720 -8.720
66 HA ALA 11 HA ALA 11 6.286 -7.914 -7.914
67 1HB ALA 11 HB2 ALA 11 7.344 -7.822 -7.822
68 2HB ALA 11 HB3 ALA 11 6.834 -6.192 -6.192
69 3HB ALA 11 HB1 ALA 11 5.678 -7.544 -7.544
70 H PHE 12 HN PHE 12 9.615 -6.757 -6.757
71 HA PHE 12 HA PHE 12 9.005 -4.224 -4.224
72 1HB PHE 12 HB2 PHE 12 11.523 -5.564 -5.564
73 2HB PHE 12 HB3 PHE 12 11.521 -3.928 -3.928
74 HD1 PHE 12 HD1 PHE 12 9.332 -5.876 -5.876
75 HD2 PHE 12 HD2 PHE 12 11.558 -2.329 -2.329
76 HE1 PHE 12 HE1 PHE 12 8.643 -5.009 -5.009
77 HE2 PHE 12 HE2 PHE 12 10.869 -1.462 -1.462
78 HZ PHE 12 HZ PHE 12 9.419 -2.812 -2.812
79 H CYS 13 HN CYS 13 9.441 -7.285 -7.285
80 HA CYS 13 HA CYS 13 11.122 -6.384 -6.384
81 1HB CYS 13 HB2 CYS 13 10.797 -8.990 -8.990
82 2HB CYS 13 HB3 CYS 13 10.987 -9.053 -9.053
83 H ASN 14 HN ASN 14 7.927 -7.049 -7.049
84 HA ASN 14 HA ASN 14 7.056 -7.798 -7.798
85 1HB ASN 14 HB2 ASN 14 6.206 -8.507 -8.507
86 2HB ASN 14 HB3 ASN 14 4.936 -7.456 -7.456
87 1HD2 ASN 14 HD22 ASN 14 5.584 -11.207 -11.207
88 2HD2 ASN 14 HD21 ASN 14 6.650 -10.449 -10.449
89 H ALA 15 HN ALA 15 6.702 -5.324 -5.324
90 HA ALA 15 HA ALA 15 4.713 -3.770 -3.770
91 1HB ALA 15 HB3 ALA 15 7.151 -2.984 -2.984
92 2HB ALA 15 HB1 ALA 15 5.719 -1.959 -1.959
93 3HB ALA 15 HB2 ALA 15 5.566 -3.495 -3.495
94 H ASP 16 HN ASP 16 5.154 -1.405 -1.405
95 HA ASP 16 HA ASP 16 7.436 -1.359 -1.359
96 1HB ASP 16 HB2 ASP 16 4.570 -1.580 -1.580
97 2HB ASP 16 HB3 ASP 16 5.541 -0.412 -0.412
98 H VAL 17 HN VAL 17 5.872 0.021 0.021
99 HA VAL 17 HA VAL 17 6.693 2.654 2.654
100 HB VAL 17 HB VAL 17 4.696 2.744 2.744
101 1HG1 VAL 17 HG12 VAL 17 3.545 0.804 0.804
102 2HG1 VAL 17 HG13 VAL 17 3.156 1.820 1.820
103 3HG1 VAL 17 HG11 VAL 17 2.482 2.220 2.220
104 1HG2 VAL 17 HG21 VAL 17 5.323 4.596 4.596
105 2HG2 VAL 17 HG22 VAL 17 3.805 4.698 4.698
106 3HG2 VAL 17 HG23 VAL 17 3.787 4.099 4.099
107 H VAL 18 HN VAL 18 7.886 2.476 2.476
108 HA VAL 18 HA VAL 18 6.330 1.948 1.948
109 HB VAL 18 HB VAL 18 9.288 2.248 2.248
110 1HG1 VAL 18 HG13 VAL 18 7.199 1.130 1.130
111 2HG1 VAL 18 HG11 VAL 18 8.406 -0.122 -0.122
112 3HG1 VAL 18 HG12 VAL 18 8.916 1.401 1.401
113 1HG2 VAL 18 HG22 VAL 18 8.136 0.657 0.657
114 2HG2 VAL 18 HG23 VAL 18 9.807 0.568 0.568
115 3HG2 VAL 18 HG21 VAL 18 8.550 -0.484 -0.484
116 H ILE 19 HN ILE 19 5.685 3.627 3.627
117 HA ILE 19 HA ILE 19 7.365 5.992 5.992
118 HB ILE 19 HB ILE 19 5.632 7.516 7.516
119 1HG1 ILE 19 HG12 ILE 19 3.866 5.125 5.125
120 2HG1 ILE 19 HG13 ILE 19 3.611 6.769 6.769
121 1HG2 ILE 19 HG21 ILE 19 6.959 6.340 6.340
122 2HG2 ILE 19 HG22 ILE 19 5.476 5.407 5.407
123 3HG2 ILE 19 HG23 ILE 19 5.465 7.179 7.179
124 1HD1 ILE 19 HD12 ILE 19 3.467 7.434 7.434
125 2HD1 ILE 19 HD13 ILE 19 3.365 5.690 5.690
126 3HD1 ILE 19 HD11 ILE 19 2.114 6.479 6.479
127 H ARG 20 HN ARG 20 7.606 6.611 6.611
128 HA ARG 20 HA ARG 20 6.083 5.241 5.241
129 1HB ARG 20 HB2 ARG 20 7.907 7.602 7.602
130 2HB ARG 20 HB3 ARG 20 7.600 6.198 6.198
131 1HG ARG 20 HG2 ARG 20 8.674 4.810 4.810
132 2HG ARG 20 HG3 ARG 20 9.257 6.347 6.347
133 1HD ARG 20 HD2 ARG 20 10.045 4.872 4.872
134 2HD ARG 20 HD3 ARG 20 11.057 5.730 5.730
135 HE ARG 20 HE ARG 20 9.196 7.395 7.395
136 1HH1 ARG 20 HH22 ARG 20 12.470 6.180 6.180
137 2HH1 ARG 20 HH21 ARG 20 13.192 7.402 7.402
138 1HH2 ARG 20 HH12 ARG 20 10.149 9.007 9.007
139 2HH2 ARG 20 HH11 ARG 20 11.863 9.021 9.021
140 H THR 21 HN THR 21 4.386 6.833 6.833
141 HA THR 21 HA THR 21 3.851 9.380 9.380
142 HB THR 21 HB THR 21 3.094 8.685 8.685
143 HG1 THR 21 HG1 THR 21 1.278 9.858 9.858
144 1HG2 THR 21 HG23 THR 21 2.684 6.203 6.203
145 2HG2 THR 21 HG21 THR 21 1.102 6.802 6.802
146 3HG2 THR 21 HG22 THR 21 1.543 6.911 6.911
147 H LYS 22 HN LYS 22 1.615 9.936 9.936
148 HA LYS 22 HA LYS 22 1.090 7.999 7.999
149 1HB LYS 22 HB2 LYS 22 0.860 9.833 9.833
150 2HB LYS 22 HB3 LYS 22 2.460 9.844 9.844
151 1HG LYS 22 HG2 LYS 22 1.841 11.653 11.653
152 2HG LYS 22 HG3 LYS 22 0.159 11.551 11.551
153 1HD LYS 22 HD2 LYS 22 2.514 12.572 12.572
154 2HD LYS 22 HD3 LYS 22 1.025 13.407 13.407
155 1HE LYS 22 HE2 LYS 22 -0.186 11.573 11.573
156 2HE LYS 22 HE3 LYS 22 1.404 11.120 11.120
157 1HZ LYS 22 HZ2 LYS 22 0.887 13.926 13.926
158 2HZ LYS 22 HZ3 LYS 22 -0.112 13.038 13.038
159 3HZ LYS 22 HZ1 LYS 22 1.506 12.932 12.932
160 H ALA 23 HN ALA 23 -0.965 7.278 7.278
161 HA ALA 23 HA ALA 23 -2.882 8.764 8.764
162 1HB ALA 23 HB3 ALA 23 -2.936 6.006 6.006
163 2HB ALA 23 HB1 ALA 23 -4.238 6.683 6.683
164 3HB ALA 23 HB2 ALA 23 -2.636 6.374 6.374
165 H VAL 24 HN VAL 24 -3.820 10.441 10.441
166 HA VAL 24 HA VAL 24 -4.610 9.919 9.919
167 HB VAL 24 HB VAL 24 -4.865 12.507 12.507
168 1HG1 VAL 24 HG12 VAL 24 -2.152 11.141 11.141
169 2HG1 VAL 24 HG13 VAL 24 -2.482 12.773 12.773
170 3HG1 VAL 24 HG11 VAL 24 -3.235 11.353 11.353
171 1HG2 VAL 24 HG22 VAL 24 -4.483 12.482 12.482
172 2HG2 VAL 24 HG23 VAL 24 -3.598 13.699 13.699
173 3HG2 VAL 24 HG21 VAL 24 -2.764 12.232 12.232
174 H SER 25 HN SER 25 -5.685 10.979 10.979
175 HA SER 25 HA SER 25 -8.410 10.886 10.886
176 1HB SER 25 HB2 SER 25 -8.285 13.029 13.029
177 2HB SER 25 HB3 SER 25 -7.051 12.608 12.608
178 HG SER 25 HG SER 25 -9.497 13.027 13.027
179 H GLU 26 HN GLU 26 -10.059 10.182 10.182
180 HA GLU 26 HA GLU 26 -8.893 8.392 8.392
181 1HB GLU 26 HB2 GLU 26 -10.424 7.463 7.463
182 2HB GLU 26 HB3 GLU 26 -10.670 6.607 6.607
183 1HG GLU 26 HG2 GLU 26 -8.792 5.429 5.429
184 2HG GLU 26 HG3 GLU 26 -7.887 6.877 6.877
185 H LYS 27 HN LYS 27 -11.149 7.060 7.060
186 HA LYS 27 HA LYS 27 -13.345 8.911 8.911
187 1HB LYS 27 HB2 LYS 27 -11.724 9.827 9.827
188 2HB LYS 27 HB3 LYS 27 -11.744 8.295 8.295
189 1HG LYS 27 HG2 LYS 27 -13.863 8.635 8.635
190 2HG LYS 27 HG3 LYS 27 -14.434 9.469 9.469
191 1HD LYS 27 HD2 LYS 27 -14.207 10.938 10.938
192 2HD LYS 27 HD3 LYS 27 -13.375 11.537 11.537
193 1HE LYS 27 HE2 LYS 27 -11.227 10.594 10.594
194 2HE LYS 27 HE3 LYS 27 -12.043 9.920 9.920
195 1HZ LYS 27 HZ2 LYS 27 -12.504 12.715 12.715
196 2HZ LYS 27 HZ3 LYS 27 -10.944 12.339 12.339
197 3HZ LYS 27 HZ1 LYS 27 -12.109 11.900 11.900
198 H GLU 28 HN GLU 28 -15.037 7.585 7.585
199 HA GLU 28 HA GLU 28 -14.775 4.819 4.819
200 1HB GLU 28 HB2 GLU 28 -16.011 5.649 5.649
201 2HB GLU 28 HB3 GLU 28 -17.162 6.470 6.470
202 1HG GLU 28 HG2 GLU 28 -17.139 3.820 3.820
203 2HG GLU 28 HG3 GLU 28 -17.042 3.632 3.632
204 H VAL 29 HN VAL 29 -14.557 4.516 4.516
205 HA VAL 29 HA VAL 29 -16.799 5.504 5.504
206 HB VAL 29 HB VAL 29 -15.315 5.178 5.178
207 1HG1 VAL 29 HG13 VAL 29 -15.301 7.268 7.268
208 2HG1 VAL 29 HG11 VAL 29 -13.645 6.723 6.723
209 3HG1 VAL 29 HG12 VAL 29 -14.111 7.127 7.127
210 1HG2 VAL 29 HG22 VAL 29 -13.761 3.656 3.656
211 2HG2 VAL 29 HG23 VAL 29 -13.654 3.690 3.690
212 3HG2 VAL 29 HG21 VAL 29 -12.761 4.888 4.888
213 H ASP 30 HN ASP 30 -18.409 4.018 4.018
214 HA ASP 30 HA ASP 30 -18.008 1.334 1.334
215 1HB ASP 30 HB2 ASP 30 -20.264 2.228 2.228
216 2HB ASP 30 HB3 ASP 30 -20.304 1.088 1.088
217 H SER 31 HN SER 31 -18.058 -0.523 -0.523
218 HA SER 31 HA SER 31 -17.540 0.228 0.228
219 1HB SER 31 HB2 SER 31 -15.363 -0.311 -0.311
220 2HB SER 31 HB3 SER 31 -15.896 -1.493 -1.493
221 HG SER 31 HG SER 31 -16.500 -2.906 -2.906
222 H GLY 32 HN GLY 32 -19.981 -0.723 -0.723
223 1HA GLY 32 HA1 GLY 32 -21.714 -2.084 -2.084
224 2HA GLY 32 HA2 GLY 32 -20.827 -2.704 -2.704
225 H ASN 33 HN ASN 33 -22.141 -4.678 -4.678
226 HA ASN 33 HA ASN 33 -20.813 -5.811 -5.811
227 1HB ASN 33 HB2 ASN 33 -22.734 -7.315 -7.315
228 2HB ASN 33 HB3 ASN 33 -22.508 -7.500 -7.500
229 1HD2 ASN 33 HD22 ASN 33 -25.692 -5.661 -5.661
230 2HD2 ASN 33 HD21 ASN 33 -24.977 -7.153 -7.153
231 H ASP 34 HN ASP 34 -19.995 -8.197 -8.197
232 HA ASP 34 HA ASP 34 -18.357 -8.317 -8.317
233 1HB ASP 34 HB2 ASP 34 -17.679 -8.704 -8.704
234 2HB ASP 34 HB3 ASP 34 -18.238 -10.334 -10.334
235 H ILE 35 HN ILE 35 -17.927 -11.223 -11.223
236 HA ILE 35 HA ILE 35 -20.311 -12.046 -12.046
237 HB ILE 35 HB ILE 35 -17.708 -13.475 -13.475
238 1HG1 ILE 35 HG12 ILE 35 -17.339 -12.956 -12.956
239 2HG1 ILE 35 HG13 ILE 35 -18.667 -11.820 -11.820
240 1HG2 ILE 35 HG22 ILE 35 -20.208 -14.283 -14.283
241 2HG2 ILE 35 HG23 ILE 35 -18.659 -14.716 -14.716
242 3HG2 ILE 35 HG21 ILE 35 -19.016 -15.259 -15.259
243 1HD1 ILE 35 HD13 ILE 35 -16.436 -11.685 -11.685
244 2HD1 ILE 35 HD11 ILE 35 -16.191 -10.993 -10.993
245 3HD1 ILE 35 HD12 ILE 35 -17.505 -10.387 -10.387
246 H TYR 36 HN TYR 36 -19.603 -11.730 -11.730
247 HA TYR 36 HA TYR 36 -20.933 -14.249 -14.249
248 1HB TYR 36 HB2 TYR 36 -18.576 -13.172 -13.172
249 2HB TYR 36 HB3 TYR 36 -19.647 -12.248 -12.248
250 HD1 TYR 36 HD1 TYR 36 -19.033 -15.808 -15.808
251 HD2 TYR 36 HD2 TYR 36 -20.178 -13.110 -13.110
252 HE1 TYR 36 HE1 TYR 36 -19.116 -17.739 -17.739
253 HE2 TYR 36 HE2 TYR 36 -20.258 -15.051 -15.051
254 HH TYR 36 HH TYR 36 -20.538 -18.067 -18.067
255 H GLY 37 HN GLY 37 -21.656 -11.071 -11.071
256 1HA GLY 37 HA1 GLY 37 -23.712 -10.080 -10.080
257 2HA GLY 37 HA2 GLY 37 -24.115 -11.201 -11.201
258 H ASN 38 HN ASN 38 -21.081 -10.375 -10.375
259 HA ASN 38 HA ASN 38 -22.052 -8.557 -8.557
260 1HB ASN 38 HB2 ASN 38 -19.517 -8.519 -8.519
261 2HB ASN 38 HB3 ASN 38 -20.357 -10.049 -10.049
262 1HD2 ASN 38 HD22 ASN 38 -17.153 -10.713 -10.713
263 2HD2 ASN 38 HD21 ASN 38 -17.708 -10.118 -10.118
264 HA PRO 39 HA PRO 39 -20.778 -4.904 -4.904
265 1HB PRO 39 HB2 PRO 39 -20.378 -3.183 -3.183
266 2HB PRO 39 HB3 PRO 39 -21.965 -3.562 -3.562
267 1HG PRO 39 HG2 PRO 39 -20.701 -4.496 -4.496
268 2HG PRO 39 HG3 PRO 39 -22.396 -4.510 -4.510
269 1HD PRO 39 HD2 PRO 39 -20.608 -6.753 -6.753
270 2HD PRO 39 HD3 PRO 39 -22.270 -6.740 -6.740
271 H ILE 40 HN ILE 40 -19.029 -4.280 -4.280
272 HA ILE 40 HA ILE 40 -16.539 -5.256 -5.256
273 HB ILE 40 HB ILE 40 -17.349 -3.414 -3.414
274 1HG1 ILE 40 HG12 ILE 40 -16.562 -6.340 -6.340
275 2HG1 ILE 40 HG13 ILE 40 -18.159 -5.694 -5.694
276 1HG2 ILE 40 HG22 ILE 40 -15.034 -2.930 -2.930
277 2HG2 ILE 40 HG23 ILE 40 -14.614 -4.631 -4.631
278 3HG2 ILE 40 HG21 ILE 40 -15.120 -3.581 -3.581
279 1HD1 ILE 40 HD12 ILE 40 -15.708 -5.074 -5.074
280 2HD1 ILE 40 HD13 ILE 40 -16.893 -6.349 -6.349
281 3HD1 ILE 40 HD11 ILE 40 -17.396 -4.642 -4.642
282 H LYS 41 HN LYS 41 -16.891 -1.851 -1.851
283 HA LYS 41 HA LYS 41 -16.413 0.063 0.063
284 1HB LYS 41 HB2 LYS 41 -17.811 -0.916 -0.916
285 2HB LYS 41 HB3 LYS 41 -16.304 -1.369 -1.369
286 1HG LYS 41 HG2 LYS 41 -15.577 0.930 0.930
287 2HG LYS 41 HG3 LYS 41 -16.822 1.483 1.483
288 1HD LYS 41 HD2 LYS 41 -17.419 0.201 0.201
289 2HD LYS 41 HD3 LYS 41 -17.294 1.932 1.932
290 1HE LYS 41 HE2 LYS 41 -19.255 0.115 0.115
291 2HE LYS 41 HE3 LYS 41 -19.668 1.093 1.093
292 1HZ LYS 41 HZ1 LYS 41 -18.770 3.000 3.000
293 2HZ LYS 41 HZ2 LYS 41 -18.884 2.000 2.000
294 3HZ LYS 41 HZ3 LYS 41 -20.220 2.385 2.385
295 H ARG 42 HN ARG 42 -14.482 1.078 1.078
296 HA ARG 42 HA ARG 42 -12.175 -0.379 -0.379
297 1HB ARG 42 HB2 ARG 42 -11.184 1.010 1.010
298 2HB ARG 42 HB3 ARG 42 -11.537 -0.705 -0.705
299 1HG ARG 42 HG2 ARG 42 -13.929 -0.158 -0.158
300 2HG ARG 42 HG3 ARG 42 -13.439 1.514 1.514
301 1HD ARG 42 HD2 ARG 42 -11.531 0.501 0.501
302 2HD ARG 42 HD3 ARG 42 -12.576 -0.904 -0.904
303 HE ARG 42 HE ARG 42 -14.196 1.377 1.377
304 1HH1 ARG 42 HH22 ARG 42 -11.532 -0.373 -0.373
305 2HH1 ARG 42 HH21 ARG 42 -11.975 0.075 0.075
306 1HH2 ARG 42 HH12 ARG 42 -14.781 1.966 1.966
307 2HH2 ARG 42 HH11 ARG 42 -13.835 1.414 1.414
308 H ILE 43 HN ILE 43 -12.715 1.243 1.243
309 HA ILE 43 HA ILE 43 -12.783 3.902 3.902
310 HB ILE 43 HB ILE 43 -12.152 1.942 1.942
311 1HG1 ILE 43 HG12 ILE 43 -12.641 4.110 4.110
312 2HG1 ILE 43 HG13 ILE 43 -13.153 4.756 4.756
313 1HG2 ILE 43 HG23 ILE 43 -9.800 2.651 2.651
314 2HG2 ILE 43 HG21 ILE 43 -10.282 4.320 4.320
315 3HG2 ILE 43 HG22 ILE 43 -10.490 3.029 3.029
316 1HD1 ILE 43 HD11 ILE 43 -14.349 2.288 2.288
317 2HD1 ILE 43 HD12 ILE 43 -14.377 2.603 2.603
318 3HD1 ILE 43 HD13 ILE 43 -15.144 3.751 3.751
319 H GLN 44 HN GLN 44 -11.272 5.676 5.676
320 HA GLN 44 HA GLN 44 -8.989 5.042 5.042
321 1HB GLN 44 HB2 GLN 44 -10.339 7.664 7.664
322 2HB GLN 44 HB3 GLN 44 -8.859 7.600 7.600
323 1HG GLN 44 HG2 GLN 44 -11.615 6.589 6.589
324 2HG GLN 44 HG3 GLN 44 -10.582 7.701 7.701
325 1HE2 GLN 44 HE22 GLN 44 -10.146 3.614 3.614
326 2HE2 GLN 44 HE21 GLN 44 -11.128 4.372 4.372
327 H TYR 45 HN TYR 45 -7.051 6.811 6.811
328 HA TYR 45 HA TYR 45 -6.593 6.732 6.732
329 1HB TYR 45 HB2 TYR 45 -5.179 5.431 5.431
330 2HB TYR 45 HB3 TYR 45 -4.108 6.264 6.264
331 HD1 TYR 45 HD2 TYR 45 -5.793 5.692 5.692
332 HD2 TYR 45 HD1 TYR 45 -4.418 3.205 3.205
333 HE1 TYR 45 HE2 TYR 45 -5.831 3.673 3.673
334 HE2 TYR 45 HE1 TYR 45 -4.460 1.195 1.195
335 HH TYR 45 HH TYR 45 -5.467 0.472 0.472
336 H GLU 46 HN GLU 46 -7.346 9.064 9.064
337 HA GLU 46 HA GLU 46 -5.710 10.693 10.693
338 1HB GLU 46 HB2 GLU 46 -8.126 11.029 11.029
339 2HB GLU 46 HB3 GLU 46 -7.204 11.790 11.790
340 1HG GLU 46 HG2 GLU 46 -6.212 13.389 13.389
341 2HG GLU 46 HG3 GLU 46 -6.893 12.546 12.546
342 H ILE 47 HN ILE 47 -3.612 9.628 9.628
343 HA ILE 47 HA ILE 47 -2.766 10.280 10.280
344 HB ILE 47 HB ILE 47 -0.561 9.587 9.587
345 1HG1 ILE 47 HG12 ILE 47 -1.888 9.800 9.800
346 2HG1 ILE 47 HG13 ILE 47 -0.331 10.411 10.411
347 1HG2 ILE 47 HG23 ILE 47 -2.935 8.041 8.041
348 2HG2 ILE 47 HG21 ILE 47 -1.958 7.414 7.414
349 3HG2 ILE 47 HG22 ILE 47 -1.255 7.522 7.522
350 1HD1 ILE 47 HD12 ILE 47 -0.213 7.596 7.596
351 2HD1 ILE 47 HD13 ILE 47 -0.971 7.839 7.839
352 3HD1 ILE 47 HD11 ILE 47 0.627 8.543 8.543
353 H LYS 48 HN LYS 48 -0.396 11.532 11.532
354 HA LYS 48 HA LYS 48 -1.010 14.142 14.142
355 1HB LYS 48 HB2 LYS 48 -1.095 13.735 13.735
356 2HB LYS 48 HB3 LYS 48 0.648 13.863 13.863
357 1HG LYS 48 HG2 LYS 48 0.543 16.090 16.090
358 2HG LYS 48 HG3 LYS 48 -1.153 15.942 15.942
359 1HD LYS 48 HD2 LYS 48 -0.471 17.285 17.285
360 2HD LYS 48 HD3 LYS 48 -1.871 16.232 16.232
361 1HE LYS 48 HE2 LYS 48 -0.608 14.462 14.462
362 2HE LYS 48 HE3 LYS 48 0.914 15.283 15.283
363 1HZ LYS 48 HZ1 LYS 48 -0.225 17.148 17.148
364 2HZ LYS 48 HZ2 LYS 48 -1.180 15.948 15.948
365 3HZ LYS 48 HZ3 LYS 48 0.436 15.877 15.877
366 H GLN 49 HN GLN 49 0.971 11.410 11.410
367 HA GLN 49 HA GLN 49 2.894 10.962 10.962
368 1HB GLN 49 HB2 GLN 49 2.201 13.524 13.524
369 2HB GLN 49 HB3 GLN 49 3.725 12.722 12.722
370 1HG GLN 49 HG2 GLN 49 1.092 11.197 11.197
371 2HG GLN 49 HG3 GLN 49 1.668 12.081 12.081
372 1HE2 GLN 49 HE22 GLN 49 4.765 10.070 10.070
373 2HE2 GLN 49 HE21 GLN 49 4.324 11.735 11.735
374 H ILE 50 HN ILE 50 4.684 10.883 10.883
375 HA ILE 50 HA ILE 50 5.820 13.464 13.464
376 HB ILE 50 HB ILE 50 5.874 12.853 12.853
377 1HG1 ILE 50 HG12 ILE 50 6.910 10.242 10.242
378 2HG1 ILE 50 HG13 ILE 50 7.693 11.417 11.417
379 1HG2 ILE 50 HG22 ILE 50 3.566 12.091 12.091
380 2HG2 ILE 50 HG23 ILE 50 4.176 10.446 10.446
381 3HG2 ILE 50 HG21 ILE 50 4.060 11.611 11.611
382 1HD1 ILE 50 HD13 ILE 50 6.008 10.832 10.832
383 2HD1 ILE 50 HD11 ILE 50 5.437 9.514 9.514
384 3HD1 ILE 50 HD12 ILE 50 7.110 9.507 9.507
385 H LYS 51 HN LYS 51 6.296 10.132 10.132
386 HA LYS 51 HA LYS 51 8.913 10.957 10.957
387 1HB LYS 51 HB2 LYS 51 8.626 9.363 9.363
388 2HB LYS 51 HB3 LYS 51 9.130 8.276 8.276
389 1HG LYS 51 HG2 LYS 51 10.760 10.475 10.475
390 2HG LYS 51 HG3 LYS 51 10.618 10.512 10.512
391 1HD LYS 51 HD2 LYS 51 11.708 8.472 8.472
392 2HD LYS 51 HD3 LYS 51 11.144 7.830 7.830
393 1HE LYS 51 HE2 LYS 51 12.757 9.152 9.152
394 2HE LYS 51 HE3 LYS 51 13.176 10.099 10.099
395 1HZ LYS 51 HZ3 LYS 51 13.946 7.993 7.993
396 2HZ LYS 51 HZ1 LYS 51 13.725 7.249 7.249
397 3HZ LYS 51 HZ2 LYS 51 14.814 8.458 8.458
398 H MET 52 HN MET 52 9.773 9.310 9.310
399 HA MET 52 HA MET 52 7.673 7.665 7.665
400 1HB MET 52 HB2 MET 52 7.976 8.665 8.665
401 2HB MET 52 HB3 MET 52 7.450 9.892 9.892
402 1HG MET 52 HG2 MET 52 10.194 10.076 10.076
403 2HG MET 52 HG3 MET 52 10.068 9.611 9.611
404 1HE MET 52 HE3 MET 52 8.461 11.643 11.643
405 2HE MET 52 HE1 MET 52 9.785 12.793 12.793
406 3HE MET 52 HE2 MET 52 8.109 13.235 13.235
407 H PHE 53 HN PHE 53 9.294 6.109 6.109
408 HA PHE 53 HA PHE 53 11.885 5.835 5.835
409 1HB PHE 53 HB2 PHE 53 9.515 4.012 4.012
410 2HB PHE 53 HB3 PHE 53 10.956 3.231 3.231
411 HD1 PHE 53 HD2 PHE 53 13.113 4.638 4.638
412 HD2 PHE 53 HD1 PHE 53 9.331 3.383 3.383
413 HE1 PHE 53 HE2 PHE 53 14.050 4.517 4.517
414 HE2 PHE 53 HE1 PHE 53 10.268 3.262 3.262
415 HZ PHE 53 HZ PHE 53 12.616 3.830 3.830
416 H LYS 54 HN LYS 54 9.434 3.873 3.873
417 HA LYS 54 HA LYS 54 10.956 4.477 4.477
418 1HB LYS 54 HB2 LYS 54 11.578 2.243 2.243
419 2HB LYS 54 HB3 LYS 54 9.910 1.736 1.736
420 1HG LYS 54 HG2 LYS 54 11.289 1.021 1.021
421 2HG LYS 54 HG3 LYS 54 10.008 2.110 2.110
422 1HD LYS 54 HD2 LYS 54 11.557 3.998 3.998
423 2HD LYS 54 HD3 LYS 54 12.843 3.061 3.061
424 1HE LYS 54 HE2 LYS 54 13.492 2.596 2.596
425 2HE LYS 54 HE3 LYS 54 12.163 1.454 1.454
426 1HZ LYS 54 HZ1 LYS 54 11.261 4.070 4.070
427 2HZ LYS 54 HZ2 LYS 54 12.432 3.643 3.643
428 3HZ LYS 54 HZ3 LYS 54 11.092 2.720 2.720
429 H GLY 55 HN GLY 55 9.625 3.953 3.953
430 1HA GLY 55 HA1 GLY 55 7.256 3.451 3.451
431 2HA GLY 55 HA2 GLY 55 6.806 4.672 4.672
432 HA PRO 56 HA PRO 56 7.188 7.092 7.092
433 1HB PRO 56 HB2 PRO 56 5.278 8.939 8.939
434 2HB PRO 56 HB3 PRO 56 4.926 7.458 7.458
435 1HG PRO 56 HG2 PRO 56 4.366 8.130 8.130
436 2HG PRO 56 HG3 PRO 56 3.664 6.863 6.863
437 1HD PRO 56 HD2 PRO 56 5.668 6.547 6.547
438 2HD PRO 56 HD3 PRO 56 5.050 5.302 5.302
439 H GLU 57 HN GLU 57 6.960 9.822 9.822
440 HA GLU 57 HA GLU 57 9.051 10.497 10.497
441 1HB GLU 57 HB2 GLU 57 8.741 12.054 12.054
442 2HB GLU 57 HB3 GLU 57 10.189 11.725 11.725
443 1HG GLU 57 HG2 GLU 57 9.951 9.264 9.264
444 2HG GLU 57 HG3 GLU 57 8.677 9.767 9.767
445 H LYS 58 HN LYS 58 5.954 11.331 11.331
446 HA LYS 58 HA LYS 58 5.843 13.988 13.988
447 1HB LYS 58 HB2 LYS 58 4.491 12.694 12.694
448 2HB LYS 58 HB3 LYS 58 3.382 12.372 12.372
449 1HG LYS 58 HG2 LYS 58 2.552 14.475 14.475
450 2HG LYS 58 HG3 LYS 58 4.138 15.146 15.146
451 1HD LYS 58 HD2 LYS 58 3.472 14.133 14.133
452 2HD LYS 58 HD3 LYS 58 2.924 15.719 15.719
453 1HE LYS 58 HE2 LYS 58 5.600 15.716 15.716
454 2HE LYS 58 HE3 LYS 58 5.656 14.804 14.804
455 1HZ LYS 58 HZ2 LYS 58 4.047 16.840 16.840
456 2HZ LYS 58 HZ3 LYS 58 5.081 17.568 17.568
457 3HZ LYS 58 HZ1 LYS 58 5.654 16.807 16.807
458 H ASP 59 HN ASP 59 3.591 11.339 11.339
459 HA ASP 59 HA ASP 59 4.220 10.871 10.871
460 1HB ASP 59 HB2 ASP 59 4.435 13.165 13.165
461 2HB ASP 59 HB3 ASP 59 2.959 13.632 13.632
462 H ILE 60 HN ILE 60 2.260 10.138 10.138
463 HA ILE 60 HA ILE 60 0.015 9.625 9.625
464 HB ILE 60 HB ILE 60 0.376 8.235 8.235
465 1HG1 ILE 60 HG12 ILE 60 2.639 8.259 8.259
466 2HG1 ILE 60 HG13 ILE 60 1.949 6.649 6.649
467 1HG2 ILE 60 HG22 ILE 60 -1.584 7.927 7.927
468 2HG2 ILE 60 HG23 ILE 60 -0.431 7.108 7.108
469 3HG2 ILE 60 HG21 ILE 60 -0.743 6.457 6.457
470 1HD1 ILE 60 HD12 ILE 60 1.128 7.646 7.646
471 2HD1 ILE 60 HD13 ILE 60 2.782 8.275 8.275
472 3HD1 ILE 60 HD11 ILE 60 2.480 6.524 6.524
473 H GLU 61 HN GLU 61 0.222 9.816 9.816
474 HA GLU 61 HA GLU 61 -0.801 11.097 11.097
475 1HB GLU 61 HB2 GLU 61 -0.841 12.792 12.792
476 2HB GLU 61 HB3 GLU 61 -2.325 13.013 13.013
477 1HG GLU 61 HG2 GLU 61 -1.257 14.063 14.063
478 2HG GLU 61 HG3 GLU 61 0.041 12.886 12.886
479 H PHE 62 HN PHE 62 -2.266 9.363 9.363
480 HA PHE 62 HA PHE 62 -4.692 9.114 9.114
481 1HB PHE 62 HB2 PHE 62 -4.342 10.369 10.369
482 2HB PHE 62 HB3 PHE 62 -5.485 9.042 9.042
483 HD1 PHE 62 HD1 PHE 62 -7.493 9.098 9.098
484 HD2 PHE 62 HD2 PHE 62 -4.953 12.453 12.453
485 HE1 PHE 62 HE1 PHE 62 -9.291 10.603 10.603
486 HE2 PHE 62 HE2 PHE 62 -6.751 13.959 13.959
487 HZ PHE 62 HZ PHE 62 -8.899 13.015 13.015
488 H ILE 63 HN ILE 63 -4.248 6.986 6.986
489 HA ILE 63 HA ILE 63 -3.722 5.140 5.140
490 HB ILE 63 HB ILE 63 -3.372 4.367 4.367
491 1HG1 ILE 63 HG12 ILE 63 -2.207 6.727 6.727
492 2HG1 ILE 63 HG13 ILE 63 -1.749 5.806 5.806
493 1HG2 ILE 63 HG22 ILE 63 -2.074 3.676 3.676
494 2HG2 ILE 63 HG23 ILE 63 -1.385 3.189 3.189
495 3HG2 ILE 63 HG21 ILE 63 -3.006 2.626 2.626
496 1HD1 ILE 63 HD12 ILE 63 -0.690 5.080 5.080
497 2HD1 ILE 63 HD13 ILE 63 0.106 6.303 6.303
498 3HD1 ILE 63 HD11 ILE 63 -0.034 4.622 4.622
499 H TYR 64 HN TYR 64 -4.714 2.861 2.861
500 HA TYR 64 HA TYR 64 -7.448 3.268 3.268
501 1HB TYR 64 HB2 TYR 64 -6.218 1.761 1.761
502 2HB TYR 64 HB3 TYR 64 -7.840 1.393 1.393
503 HD1 TYR 64 HD1 TYR 64 -5.913 4.554 4.554
504 HD2 TYR 64 HD2 TYR 64 -9.483 2.295 2.295
505 HE1 TYR 64 HE1 TYR 64 -6.836 6.431 6.431
506 HE2 TYR 64 HE2 TYR 64 -10.394 4.179 4.179
507 HH TYR 64 HH TYR 64 -9.829 6.021 6.021
508 H THR 65 HN THR 65 -8.499 1.369 1.369
509 HA THR 65 HA THR 65 -7.073 -1.045 -1.045
510 HB THR 65 HB THR 65 -5.729 0.440 0.440
511 HG1 THR 65 HG1 THR 65 -6.436 -1.859 -1.859
512 1HG2 THR 65 HG22 THR 65 -8.495 1.069 1.069
513 2HG2 THR 65 HG23 THR 65 -7.150 0.955 0.955
514 3HG2 THR 65 HG21 THR 65 -7.085 2.144 2.144
515 H ALA 66 HN ALA 66 -8.271 -1.905 -1.905
516 HA ALA 66 HA ALA 66 -11.069 -1.883 -1.883
517 1HB ALA 66 HB1 ALA 66 -9.194 -3.923 -3.923
518 2HB ALA 66 HB2 ALA 66 -10.631 -3.909 -3.909
519 3HB ALA 66 HB3 ALA 66 -10.815 -4.111 -4.111
520 HA PRO 67 HA PRO 67 -12.151 0.179 0.179
521 1HB PRO 67 HB2 PRO 67 -14.790 -0.493 -0.493
522 2HB PRO 67 HB3 PRO 67 -14.208 0.761 0.761
523 1HG PRO 67 HG2 PRO 67 -15.126 -1.970 -1.970
524 2HG PRO 67 HG3 PRO 67 -14.950 -0.583 -0.583
525 1HD PRO 67 HD2 PRO 67 -13.180 -2.831 -2.831
526 2HD PRO 67 HD3 PRO 67 -12.945 -1.392 -1.392
527 H SER 68 HN SER 68 -14.102 -0.536 -0.536
528 HA SER 68 HA SER 68 -14.167 -1.566 -1.566
529 1HB SER 68 HB2 SER 68 -13.726 -3.763 -3.763
530 2HB SER 68 HB3 SER 68 -13.409 -4.195 -4.195
531 HG SER 68 HG SER 68 -15.510 -4.094 -4.094
532 H SER 69 HN SER 69 -12.658 -3.546 -3.546
533 HA SER 69 HA SER 69 -10.349 -2.075 -2.075
534 1HB SER 69 HB2 SER 69 -11.669 -3.515 -3.515
535 2HB SER 69 HB3 SER 69 -11.037 -4.936 -4.936
536 HG SER 69 HG SER 69 -9.887 -4.020 -4.020
537 H ALA 70 HN ALA 70 -9.962 -2.357 -2.357
538 HA ALA 70 HA ALA 70 -8.623 -3.112 -3.112
539 1HB ALA 70 HB2 ALA 70 -7.119 -2.986 -2.986
540 2HB ALA 70 HB3 ALA 70 -6.658 -4.522 -4.522
541 3HB ALA 70 HB1 ALA 70 -6.494 -2.993 -2.993
542 H VAL 71 HN VAL 71 -9.701 -4.628 -4.628
543 HA VAL 71 HA VAL 71 -9.665 -7.369 -7.369
544 HB VAL 71 HB VAL 71 -11.766 -7.651 -7.651
545 1HG1 VAL 71 HG13 VAL 71 -11.879 -5.557 -5.557
546 2HG1 VAL 71 HG11 VAL 71 -11.728 -4.620 -4.620
547 3HG1 VAL 71 HG12 VAL 71 -13.158 -5.645 -5.645
548 1HG2 VAL 71 HG21 VAL 71 -11.020 -5.996 -5.996
549 2HG2 VAL 71 HG22 VAL 71 -11.364 -7.741 -7.741
550 3HG2 VAL 71 HG23 VAL 71 -12.682 -6.562 -6.562
551 H CYS 72 HN CYS 72 -9.091 -5.215 -5.215
552 HA CYS 72 HA CYS 72 -7.614 -7.443 -7.443
553 1HB CYS 72 HB2 CYS 72 -8.998 -5.243 -5.243
554 2HB CYS 72 HB3 CYS 72 -8.191 -6.654 -6.654
555 H GLY 73 HN GLY 73 -7.093 -4.982 -4.982
556 1HA GLY 73 HA1 GLY 73 -4.622 -4.188 -4.188
557 2HA GLY 73 HA2 GLY 73 -5.774 -2.904 -2.904
558 H VAL 74 HN VAL 74 -4.195 -1.938 -1.938
559 HA VAL 74 HA VAL 74 -3.984 -3.418 -3.418
560 HB VAL 74 HB VAL 74 -2.239 -1.275 -1.275
561 1HG1 VAL 74 HG12 VAL 74 -2.082 -2.601 -2.601
562 2HG1 VAL 74 HG13 VAL 74 -0.770 -1.649 -1.649
563 3HG1 VAL 74 HG11 VAL 74 -2.325 -0.873 -0.873
564 1HG2 VAL 74 HG21 VAL 74 -2.179 -3.820 -3.820
565 2HG2 VAL 74 HG22 VAL 74 -0.673 -2.904 -2.904
566 3HG2 VAL 74 HG23 VAL 74 -1.275 -3.995 -3.995
567 H SER 75 HN SER 75 -5.845 -1.149 -1.149
568 HA SER 75 HA SER 75 -6.836 0.746 0.746
569 1HB SER 75 HB2 SER 75 -8.571 0.296 0.296
570 2HB SER 75 HB3 SER 75 -8.119 -1.289 -1.289
571 HG SER 75 HG SER 75 -8.203 -0.511 -0.511
572 H LEU 76 HN LEU 76 -5.007 2.189 2.189
573 HA LEU 76 HA LEU 76 -4.211 2.491 2.491
574 1HB LEU 76 HB2 LEU 76 -2.778 3.976 3.976
575 2HB LEU 76 HB3 LEU 76 -2.171 3.144 3.144
576 HG LEU 76 HG LEU 76 -3.033 1.050 1.050
577 1HD1 LEU 76 HD11 LEU 76 -2.959 3.228 3.228
578 2HD1 LEU 76 HD12 LEU 76 -1.431 2.364 2.364
579 3HD1 LEU 76 HD13 LEU 76 -2.982 1.503 1.503
580 1HD2 LEU 76 HD23 LEU 76 -0.613 2.059 2.059
581 2HD2 LEU 76 HD21 LEU 76 -0.988 0.402 0.402
582 3HD2 LEU 76 HD22 LEU 76 -0.283 1.568 1.568
583 H ASP 77 HN ASP 77 -4.492 4.447 4.447
584 HA ASP 77 HA ASP 77 -5.985 6.439 6.439
585 1HB ASP 77 HB2 ASP 77 -6.913 6.898 6.898
586 2HB ASP 77 HB3 ASP 77 -7.693 5.772 5.772
587 H VAL 78 HN VAL 78 -3.106 5.692 5.692
588 HA VAL 78 HA VAL 78 -1.387 6.879 6.879
589 HB VAL 78 HB VAL 78 -3.187 9.034 9.034
590 1HG1 VAL 78 HG12 VAL 78 -0.846 9.452 9.452
591 2HG1 VAL 78 HG13 VAL 78 -1.199 10.635 10.635
592 3HG1 VAL 78 HG11 VAL 78 -2.423 10.279 10.279
593 1HG2 VAL 78 HG21 VAL 78 -1.553 7.560 7.560
594 2HG2 VAL 78 HG22 VAL 78 -1.558 9.317 9.317
595 3HG2 VAL 78 HG23 VAL 78 -0.278 8.580 8.580
596 H GLY 79 HN GLY 79 -4.441 8.461 8.461
597 1HA GLY 79 HA1 GLY 79 -3.487 9.230 9.230
598 2HA GLY 79 HA2 GLY 79 -5.160 8.908 8.908
599 H GLY 80 HN GLY 80 -3.834 6.050 6.050
600 1HA GLY 80 HA1 GLY 80 -4.047 4.941 4.941
601 2HA GLY 80 HA2 GLY 80 -4.691 4.164 4.164
602 H LYS 81 HN LYS 81 -2.146 5.341 5.341
603 HA LYS 81 HA LYS 81 -0.283 3.311 3.311
604 1HB LYS 81 HB2 LYS 81 0.122 3.686 3.686
605 2HB LYS 81 HB3 LYS 81 -0.355 2.233 2.233
606 1HG LYS 81 HG2 LYS 81 -2.364 4.408 4.408
607 2HG LYS 81 HG3 LYS 81 -1.968 3.116 3.116
608 1HD LYS 81 HD2 LYS 81 -2.992 1.474 1.474
609 2HD LYS 81 HD3 LYS 81 -2.670 2.312 2.312
610 1HE LYS 81 HE2 LYS 81 -4.367 4.116 4.116
611 2HE LYS 81 HE3 LYS 81 -4.867 2.855 2.855
612 1HZ LYS 81 HZ2 LYS 81 -4.646 2.146 2.146
613 2HZ LYS 81 HZ3 LYS 81 -5.903 3.095 3.095
614 3HZ LYS 81 HZ1 LYS 81 -5.712 1.626 1.626
615 H LYS 82 HN LYS 82 0.193 5.537 5.537
616 HA LYS 82 HA LYS 82 1.187 7.749 7.749
617 1HB LYS 82 HB2 LYS 82 3.689 7.255 7.255
618 2HB LYS 82 HB3 LYS 82 2.662 6.745 6.745
619 1HG LYS 82 HG2 LYS 82 2.623 4.558 4.558
620 2HG LYS 82 HG3 LYS 82 4.284 5.114 5.114
621 1HD LYS 82 HD2 LYS 82 4.669 4.152 4.152
622 2HD LYS 82 HD3 LYS 82 3.445 5.168 5.168
623 1HE LYS 82 HE2 LYS 82 1.843 3.507 3.507
624 2HE LYS 82 HE3 LYS 82 2.361 2.889 2.889
625 1HZ LYS 82 HZ1 LYS 82 4.360 2.042 2.042
626 2HZ LYS 82 HZ2 LYS 82 3.556 2.362 2.362
627 3HZ LYS 82 HZ3 LYS 82 2.947 1.286 1.286
628 H GLU 83 HN GLU 83 2.909 5.244 5.244
629 HA GLU 83 HA GLU 83 2.089 6.503 6.503
630 1HB GLU 83 HB2 GLU 83 4.908 6.704 6.704
631 2HB GLU 83 HB3 GLU 83 3.741 8.011 8.011
632 1HG GLU 83 HG2 GLU 83 4.549 6.889 6.889
633 2HG GLU 83 HG3 GLU 83 5.750 7.833 7.833
634 H TYR 84 HN TYR 84 3.232 5.414 5.414
635 HA TYR 84 HA TYR 84 4.484 2.884 2.884
636 1HB TYR 84 HB2 TYR 84 2.686 1.719 1.719
637 2HB TYR 84 HB3 TYR 84 2.041 2.403 2.403
638 HD1 TYR 84 HD2 TYR 84 2.680 3.536 3.536
639 HD2 TYR 84 HD1 TYR 84 0.012 3.499 3.499
640 HE1 TYR 84 HE2 TYR 84 0.962 4.842 4.842
641 HE2 TYR 84 HE1 TYR 84 -1.696 4.805 4.805
642 HH TYR 84 HH TYR 84 -1.894 4.942 4.942
643 H LEU 85 HN LEU 85 5.507 1.879 1.879
644 HA LEU 85 HA LEU 85 6.234 3.852 3.852
645 1HB LEU 85 HB2 LEU 85 7.831 2.089 2.089
646 2HB LEU 85 HB3 LEU 85 8.019 2.640 2.640
647 HG LEU 85 HG LEU 85 8.165 0.091 0.091
648 1HD1 LEU 85 HD13 LEU 85 7.877 1.494 1.494
649 2HD1 LEU 85 HD11 LEU 85 6.493 0.377 0.377
650 3HD1 LEU 85 HD12 LEU 85 8.143 -0.262 -0.262
651 1HD2 LEU 85 HD22 LEU 85 5.174 0.451 0.451
652 2HD2 LEU 85 HD23 LEU 85 6.024 -0.072 -0.072
653 3HD2 LEU 85 HD21 LEU 85 6.039 -1.104 -1.104
654 H ILE 86 HN ILE 86 3.598 1.904 1.904
655 HA ILE 86 HA ILE 86 2.564 0.444 0.444
656 HB ILE 86 HB ILE 86 2.047 3.282 3.282
657 1HG1 ILE 86 HG12 ILE 86 -0.206 2.591 2.591
658 2HG1 ILE 86 HG13 ILE 86 0.089 1.013 1.013
659 1HG2 ILE 86 HG22 ILE 86 1.715 1.787 1.787
660 2HG2 ILE 86 HG23 ILE 86 0.473 2.966 2.966
661 3HG2 ILE 86 HG21 ILE 86 2.165 3.485 3.485
662 1HD1 ILE 86 HD11 ILE 86 1.917 1.510 1.510
663 2HD1 ILE 86 HD12 ILE 86 0.217 1.687 1.687
664 3HD1 ILE 86 HD13 ILE 86 0.774 0.167 0.167
665 H ALA 87 HN ALA 87 3.727 -0.929 -0.929
666 HA ALA 87 HA ALA 87 4.667 0.232 0.232
667 1HB ALA 87 HB2 ALA 87 6.154 -1.217 -1.217
668 2HB ALA 87 HB3 ALA 87 6.329 -1.936 -1.936
669 3HB ALA 87 HB1 ALA 87 6.756 -0.228 -0.228
670 H GLY 88 HN GLY 88 3.225 -0.505 -0.505
671 1HA GLY 88 HA1 GLY 88 2.695 -3.402 -3.402
672 2HA GLY 88 HA2 GLY 88 1.359 -2.270 -2.270
673 H LYS 89 HN LYS 89 1.442 -3.904 -3.904
674 HA LYS 89 HA LYS 89 3.120 -3.423 -3.423
675 1HB LYS 89 HB2 LYS 89 1.324 -4.236 -4.236
676 2HB LYS 89 HB3 LYS 89 1.424 -5.182 -5.182
677 1HG LYS 89 HG2 LYS 89 -0.353 -3.061 -3.061
678 2HG LYS 89 HG3 LYS 89 -0.793 -3.546 -3.546
679 1HD LYS 89 HD2 LYS 89 -1.442 -5.689 -5.689
680 2HD LYS 89 HD3 LYS 89 -0.298 -5.754 -5.754
681 1HE LYS 89 HE2 LYS 89 -2.039 -5.279 -5.279
682 2HE LYS 89 HE3 LYS 89 -2.000 -3.649 -3.649
683 1HZ LYS 89 HZ1 LYS 89 -3.444 -4.574 -4.574
684 2HZ LYS 89 HZ2 LYS 89 -3.672 -5.883 -5.883
685 3HZ LYS 89 HZ3 LYS 89 -4.141 -4.407 -4.407
686 H ALA 90 HN ALA 90 0.554 -1.352 -1.352
687 HA ALA 90 HA ALA 90 0.314 0.861 0.861
688 1HB ALA 90 HB2 ALA 90 2.790 0.656 0.656
689 2HB ALA 90 HB3 ALA 90 1.981 0.924 0.924
690 3HB ALA 90 HB1 ALA 90 1.832 2.134 2.134
691 H GLU 91 HN GLU 91 -0.487 2.392 2.392
692 HA GLU 91 HA GLU 91 -2.044 0.684 0.684
693 1HB GLU 91 HB2 GLU 91 -3.298 1.587 1.587
694 2HB GLU 91 HB3 GLU 91 -3.334 3.107 3.107
695 1HG GLU 91 HG2 GLU 91 -5.390 1.753 1.753
696 2HG GLU 91 HG3 GLU 91 -4.504 2.058 2.058
697 H GLY 92 HN GLY 92 -0.673 3.892 3.892
698 1HA GLY 92 HA1 GLY 92 0.247 4.455 4.455
699 2HA GLY 92 HA2 GLY 92 -1.351 5.165 5.165
700 H ASP 93 HN ASP 93 -0.800 7.355 7.355
701 HA ASP 93 HA ASP 93 1.034 8.088 8.088
702 1HB ASP 93 HB2 ASP 93 0.766 8.944 8.944
703 2HB ASP 93 HB3 ASP 93 0.091 10.265 10.265
704 H GLY 94 HN GLY 94 0.204 9.213 9.213
705 1HA GLY 94 HA1 GLY 94 -1.200 10.519 10.519
706 2HA GLY 94 HA2 GLY 94 -2.191 10.795 10.795
707 H LYS 95 HN LYS 95 -1.637 7.457 7.457
708 HA LYS 95 HA LYS 95 -3.431 6.739 6.739
709 1HB LYS 95 HB2 LYS 95 -5.443 6.345 6.345
710 2HB LYS 95 HB3 LYS 95 -4.953 7.884 7.884
711 1HG LYS 95 HG2 LYS 95 -4.368 5.198 5.198
712 2HG LYS 95 HG3 LYS 95 -5.769 6.179 6.179
713 1HD LYS 95 HD2 LYS 95 -2.895 7.188 7.188
714 2HD LYS 95 HD3 LYS 95 -3.786 6.503 6.503
715 1HE LYS 95 HE2 LYS 95 -4.401 9.059 9.059
716 2HE LYS 95 HE3 LYS 95 -4.053 8.890 8.890
717 1HZ LYS 95 HZ1 LYS 95 -6.150 7.362 7.362
718 2HZ LYS 95 HZ2 LYS 95 -6.500 8.304 8.304
719 3HZ LYS 95 HZ3 LYS 95 -6.290 8.979 8.979
720 H MET 96 HN MET 96 -3.125 4.589 4.589
721 HA MET 96 HA MET 96 -1.997 2.966 2.966
722 1HB MET 96 HB2 MET 96 -0.779 2.326 2.326
723 2HB MET 96 HB3 MET 96 0.020 2.739 2.739
724 1HG MET 96 HG2 MET 96 -0.703 5.219 5.219
725 2HG MET 96 HG3 MET 96 -0.911 4.598 4.598
726 1HE MET 96 HE1 MET 96 0.573 3.606 3.606
727 2HE MET 96 HE2 MET 96 2.351 3.611 3.611
728 3HE MET 96 HE3 MET 96 1.470 5.120 5.120
729 H HIS 97 HN HIS 97 -1.452 0.692 0.692
730 HA HIS 97 HA HIS 97 -4.064 0.167 0.167
731 1HB HIS 97 HB2 HIS 97 -2.999 -1.032 -1.032
732 2HB HIS 97 HB3 HIS 97 -3.427 -2.231 -2.231
733 HD1 HIS 97 HD1 HIS 97 -5.333 -2.840 -2.840
734 HD2 HIS 97 HD2 HIS 97 -5.790 0.792 0.792
735 HE1 HIS 97 HE1 HIS 97 -7.758 -2.127 -2.127
736 H ILE 98 HN ILE 98 -3.850 -0.738 -0.738
737 HA ILE 98 HA ILE 98 -1.465 -2.335 -2.335
738 HB ILE 98 HB ILE 98 -0.924 -1.171 -1.171
739 1HG1 ILE 98 HG12 ILE 98 -3.455 0.377 0.377
740 2HG1 ILE 98 HG13 ILE 98 -2.972 -0.487 -0.487
741 1HG2 ILE 98 HG22 ILE 98 -0.374 -0.247 -0.247
742 2HG2 ILE 98 HG23 ILE 98 -1.225 1.172 1.172
743 3HG2 ILE 98 HG21 ILE 98 0.211 0.533 0.533
744 1HD1 ILE 98 HD12 ILE 98 -1.021 1.595 1.595
745 2HD1 ILE 98 HD13 ILE 98 -2.654 2.255 2.255
746 3HD1 ILE 98 HD11 ILE 98 -1.858 1.313 1.313
747 H THR 99 HN THR 99 -1.817 -4.050 -4.050
748 HA THR 99 HA THR 99 -4.431 -4.150 -4.150
749 HB THR 99 HB THR 99 -4.417 -6.644 -6.644
750 HG1 THR 99 HG1 THR 99 -2.814 -6.897 -6.897
751 1HG2 THR 99 HG23 THR 99 -5.984 -4.712 -4.712
752 2HG2 THR 99 HG21 THR 99 -4.826 -4.468 -4.468
753 3HG2 THR 99 HG22 THR 99 -5.690 -6.016 -6.016
754 H LEU 100 HN LEU 100 -4.540 -6.042 -6.042
755 HA LEU 100 HA LEU 100 -2.349 -5.813 -5.813
756 1HB LEU 100 HB2 LEU 100 -3.616 -6.972 -6.972
757 2HB LEU 100 HB3 LEU 100 -4.859 -6.361 -6.361
758 HG LEU 100 HG LEU 100 -3.817 -9.007 -9.007
759 1HD1 LEU 100 HD11 LEU 100 -4.773 -8.510 -8.510
760 2HD1 LEU 100 HD12 LEU 100 -5.467 -9.916 -9.916
761 3HD1 LEU 100 HD13 LEU 100 -3.703 -9.779 -9.779
762 1HD2 LEU 100 HD22 LEU 100 -6.509 -7.685 -7.685
763 2HD2 LEU 100 HD23 LEU 100 -5.688 -8.269 -8.269
764 3HD2 LEU 100 HD21 LEU 100 -6.352 -9.433 -9.433
765 H CYS 101 HN CYS 101 -3.219 -8.121 -8.121
766 HA CYS 101 HA CYS 101 -1.310 -10.055 -10.055
767 1HB CYS 101 HB2 CYS 101 -1.893 -10.220 -10.220
768 2HB CYS 101 HB3 CYS 101 -2.364 -11.293 -11.293
769 H ASP 102 HN ASP 102 -1.351 -7.063 -7.063
770 HA ASP 102 HA ASP 102 1.084 -7.619 -7.619
771 1HB ASP 102 HB2 ASP 102 -0.884 -5.951 -5.951
772 2HB ASP 102 HB3 ASP 102 -0.042 -4.840 -4.840
773 H PHE 103 HN PHE 103 2.952 -5.833 -5.833
774 HA PHE 103 HA PHE 103 3.815 -6.004 -6.004
775 1HB PHE 103 HB2 PHE 103 5.449 -6.053 -6.053
776 2HB PHE 103 HB3 PHE 103 4.703 -4.696 -4.696
777 HD1 PHE 103 HD2 PHE 103 5.209 -4.453 -4.453
778 HD2 PHE 103 HD1 PHE 103 6.922 -3.654 -3.654
779 HE1 PHE 103 HE2 PHE 103 6.860 -2.896 -2.896
780 HE2 PHE 103 HE1 PHE 103 8.574 -2.098 -2.098
781 HZ PHE 103 HZ PHE 103 8.523 -1.736 -1.736
782 H ILE 104 HN ILE 104 3.247 -4.690 -4.690
783 HA ILE 104 HA ILE 104 3.255 -1.875 -1.875
784 HB ILE 104 HB ILE 104 0.800 -1.710 -1.710
785 1HG1 ILE 104 HG12 ILE 104 0.676 -4.346 -4.346
786 2HG1 ILE 104 HG13 ILE 104 0.466 -4.154 -4.154
787 1HG2 ILE 104 HG22 ILE 104 2.058 -1.254 -1.254
788 2HG2 ILE 104 HG23 ILE 104 0.756 -2.361 -2.361
789 3HG2 ILE 104 HG21 ILE 104 0.363 -0.847 -0.847
790 1HD1 ILE 104 HD12 ILE 104 -1.417 -2.470 -2.470
791 2HD1 ILE 104 HD13 ILE 104 -1.310 -3.083 -3.083
792 3HD1 ILE 104 HD11 ILE 104 -1.748 -4.187 -4.187
793 H VAL 105 HN VAL 105 3.752 -0.941 -0.941
794 HA VAL 105 HA VAL 105 3.027 -2.303 -2.303
795 HB VAL 105 HB VAL 105 5.710 -1.876 -1.876
796 1HG1 VAL 105 HG12 VAL 105 3.894 -4.183 -4.183
797 2HG1 VAL 105 HG13 VAL 105 5.623 -4.560 -4.560
798 3HG1 VAL 105 HG11 VAL 105 5.040 -3.793 -3.793
799 1HG2 VAL 105 HG23 VAL 105 5.366 -3.069 -3.069
800 2HG2 VAL 105 HG21 VAL 105 6.231 -1.574 -1.574
801 3HG2 VAL 105 HG22 VAL 105 6.863 -3.151 -3.151
802 HA PRO 106 HA PRO 106 3.072 1.795 1.795
803 1HB PRO 106 HB2 PRO 106 3.433 1.529 1.529
804 2HB PRO 106 HB3 PRO 106 1.891 1.269 1.269
805 1HG PRO 106 HG2 PRO 106 3.781 -0.732 -0.732
806 2HG PRO 106 HG3 PRO 106 2.086 -0.927 -0.927
807 1HD PRO 106 HD2 PRO 106 4.325 -1.834 -1.834
808 2HD PRO 106 HD3 PRO 106 2.634 -1.925 -1.925
809 H TRP 107 HN TRP 107 5.769 0.205 0.205
810 HA TRP 107 HA TRP 107 7.868 0.902 0.902
811 1HB TRP 107 HB2 TRP 107 6.818 3.126 3.126
812 2HB TRP 107 HB3 TRP 107 7.047 3.577 3.577
813 HD1 TRP 107 HD1 TRP 107 9.493 2.023 2.023
814 HE1 TRP 107 HE1 TRP 107 11.791 3.319 3.319
815 HE3 TRP 107 HE3 TRP 107 8.198 5.362 5.362
816 HZ2 TRP 107 HZ2 TRP 107 12.787 5.546 5.546
817 HZ3 TRP 107 HZ3 TRP 107 9.892 7.064 7.064
818 HH2 TRP 107 HH2 TRP 107 12.119 7.190 7.190
819 H ASP 108 HN ASP 108 6.464 2.404 2.404
820 HA ASP 108 HA ASP 108 8.749 1.883 1.883
821 1HB ASP 108 HB2 ASP 108 7.145 3.596 3.596
822 2HB ASP 108 HB3 ASP 108 5.846 2.422 2.422
823 H THR 109 HN THR 109 8.392 -0.536 -0.536
824 HA THR 109 HA THR 109 7.881 -2.306 -2.306
825 HB THR 109 HB THR 109 6.151 -3.606 -3.606
826 HG1 THR 109 HG1 THR 109 6.288 -2.489 -2.489
827 1HG2 THR 109 HG22 THR 109 5.527 -2.104 -2.104
828 2HG2 THR 109 HG23 THR 109 5.245 -0.805 -0.805
829 3HG2 THR 109 HG21 THR 109 4.264 -2.289 -2.289
830 H LEU 110 HN LEU 110 8.223 -2.131 -2.131
831 HA LEU 110 HA LEU 110 9.185 -4.007 -4.007
832 1HB LEU 110 HB2 LEU 110 11.335 -2.053 -2.053
833 2HB LEU 110 HB3 LEU 110 11.363 -3.096 -3.096
834 HG LEU 110 HG LEU 110 9.314 -0.909 -0.909
835 1HD1 LEU 110 HD13 LEU 110 11.613 -0.012 -0.012
836 2HD1 LEU 110 HD11 LEU 110 11.762 -0.834 -0.834
837 3HD1 LEU 110 HD12 LEU 110 10.552 0.452 0.452
838 1HD2 LEU 110 HD21 LEU 110 9.271 -3.101 -3.101
839 2HD2 LEU 110 HD22 LEU 110 8.242 -1.649 -1.649
840 3HD2 LEU 110 HD23 LEU 110 9.748 -1.711 -1.711
841 H SER 111 HN SER 111 12.217 -3.457 -3.457
842 HA SER 111 HA SER 111 12.495 -4.812 -4.812
843 1HB SER 111 HB2 SER 111 11.547 -6.801 -6.801
844 2HB SER 111 HB3 SER 111 12.782 -7.332 -7.332
845 HG SER 111 HG SER 111 11.259 -6.386 -6.386
846 H THR 112 HN THR 112 13.360 -5.092 -5.092
847 HA THR 112 HA THR 112 15.809 -4.092 -4.092
848 HB THR 112 HB THR 112 15.805 -6.723 -6.723
849 HG1 THR 112 HG1 THR 112 17.740 -5.524 -5.524
850 1HG2 THR 112 HG21 THR 112 17.813 -5.970 -5.970
851 2HG2 THR 112 HG22 THR 112 18.304 -6.923 -6.923
852 3HG2 THR 112 HG23 THR 112 17.069 -7.558 -7.558
853 H THR 113 HN THR 113 14.762 -7.459 -7.459
854 HA THR 113 HA THR 113 15.840 -7.470 -7.470
855 HB THR 113 HB THR 113 13.426 -8.807 -8.807
856 HG1 THR 113 HG1 THR 113 15.653 -9.360 -9.360
857 1HG2 THR 113 HG23 THR 113 14.025 -8.679 -8.679
858 2HG2 THR 113 HG21 THR 113 14.375 -10.315 -10.315
859 3HG2 THR 113 HG22 THR 113 12.753 -9.616 -9.616
860 H GLN 114 HN GLN 114 13.078 -5.659 -5.659
861 HA GLN 114 HA GLN 114 12.096 -5.243 -5.243
862 1HB GLN 114 HB2 GLN 114 11.239 -4.438 -4.438
863 2HB GLN 114 HB3 GLN 114 10.631 -3.509 -3.509
864 1HG GLN 114 HG2 GLN 114 9.002 -5.128 -5.128
865 2HG GLN 114 HG3 GLN 114 10.191 -6.018 -6.018
866 1HE2 GLN 114 HE22 GLN 114 11.329 -7.997 -7.997
867 2HE2 GLN 114 HE21 GLN 114 11.964 -7.013 -7.013
868 H LYS 115 HN LYS 115 14.182 -3.663 -3.663
869 HA LYS 115 HA LYS 115 14.112 -1.116 -1.116
870 1HB LYS 115 HB2 LYS 115 15.239 -2.294 -2.294
871 2HB LYS 115 HB3 LYS 115 16.378 -1.226 -1.226
872 1HG LYS 115 HG2 LYS 115 15.050 0.660 0.660
873 2HG LYS 115 HG3 LYS 115 13.550 -0.240 -0.240
874 1HD LYS 115 HD2 LYS 115 15.431 -0.039 -0.039
875 2HD LYS 115 HD3 LYS 115 13.754 0.463 0.463
876 1HE LYS 115 HE2 LYS 115 13.267 -2.081 -2.081
877 2HE LYS 115 HE3 LYS 115 14.869 -2.358 -2.358
878 1HZ LYS 115 HZ2 LYS 115 14.032 -0.947 -0.947
879 2HZ LYS 115 HZ3 LYS 115 12.535 -1.260 -1.260
880 3HZ LYS 115 HZ1 LYS 115 13.506 -2.489 -2.489
881 H LYS 116 HN LYS 116 16.227 -4.024 -4.024
882 HA LYS 116 HA LYS 116 18.274 -2.878 -2.878
883 1HB LYS 116 HB2 LYS 116 19.159 -5.042 -5.042
884 2HB LYS 116 HB3 LYS 116 18.305 -5.009 -5.009
885 1HG LYS 116 HG2 LYS 116 17.251 -6.895 -6.895
886 2HG LYS 116 HG3 LYS 116 16.303 -5.833 -5.833
887 1HD LYS 116 HD2 LYS 116 18.965 -6.547 -6.547
888 2HD LYS 116 HD3 LYS 116 17.887 -7.912 -7.912
889 1HE LYS 116 HE2 LYS 116 16.712 -7.299 -7.299
890 2HE LYS 116 HE3 LYS 116 16.331 -5.754 -5.754
891 1HZ LYS 116 HZ3 LYS 116 18.867 -6.307 -6.307
892 2HZ LYS 116 HZ1 LYS 116 17.580 -5.605 -5.605
893 3HZ LYS 116 HZ2 LYS 116 18.333 -4.856 -4.856
894 H SER 117 HN SER 117 15.017 -3.792 -3.792
895 HA SER 117 HA SER 117 15.665 -4.143 -4.143
896 1HB SER 117 HB2 SER 117 13.674 -5.176 -5.176
897 2HB SER 117 HB3 SER 117 12.805 -4.020 -4.020
898 HG SER 117 HG SER 117 14.213 -5.207 -5.207
899 H LEU 118 HN LEU 118 14.905 -1.639 -1.639
900 HA LEU 118 HA LEU 118 13.328 -0.008 -0.008
901 1HB LEU 118 HB2 LEU 118 14.890 0.447 0.447
902 2HB LEU 118 HB3 LEU 118 14.112 1.770 1.770
903 HG LEU 118 HG LEU 118 12.643 -0.692 -0.692
904 1HD1 LEU 118 HD13 LEU 118 13.799 1.206 1.206
905 2HD1 LEU 118 HD11 LEU 118 12.136 1.808 1.808
906 3HD1 LEU 118 HD12 LEU 118 12.419 0.164 0.164
907 1HD2 LEU 118 HD23 LEU 118 11.860 1.772 1.772
908 2HD2 LEU 118 HD21 LEU 118 11.174 0.131 0.131
909 3HD2 LEU 118 HD22 LEU 118 10.767 1.222 1.222
910 H ASN 119 HN ASN 119 16.797 -0.624 -0.624
911 HA ASN 119 HA ASN 119 17.605 1.718 1.718
912 1HB ASN 119 HB2 ASN 119 19.160 -0.907 -0.907
913 2HB ASN 119 HB3 ASN 119 19.833 0.700 0.700
914 1HD2 ASN 119 HD22 ASN 119 19.207 -0.850 -0.850
915 2HD2 ASN 119 HD21 ASN 119 19.202 -1.714 -1.714
916 H HIS 120 HN HIS 120 16.758 -1.648 -1.648
917 HA HIS 120 HA HIS 120 17.863 -1.693 -1.693
918 1HB HIS 120 HB2 HIS 120 15.660 -3.175 -3.175
919 2HB HIS 120 HB3 HIS 120 15.862 -3.386 -3.386
920 HD1 HIS 120 HD1 HIS 120 18.793 -2.962 -2.962
921 HD2 HIS 120 HD2 HIS 120 16.921 -5.956 -5.956
922 HE1 HIS 120 HE1 HIS 120 20.326 -4.999 -4.999
923 H ARG 121 HN ARG 121 17.537 -0.096 -0.096
924 HA ARG 121 HA ARG 121 15.697 1.728 1.728
925 1HB ARG 121 HB2 ARG 121 17.372 0.339 0.339
926 2HB ARG 121 HB3 ARG 121 15.870 0.832 0.832
927 1HG ARG 121 HG2 ARG 121 17.757 2.658 2.658
928 2HG ARG 121 HG3 ARG 121 17.589 2.614 2.614
929 1HD ARG 121 HD2 ARG 121 14.990 2.969 2.969
930 2HD ARG 121 HD3 ARG 121 16.125 4.242 4.242
931 HE ARG 121 HE ARG 121 15.950 3.588 3.588
932 1HH1 ARG 121 HH22 ARG 121 14.828 5.651 5.651
933 2HH1 ARG 121 HH21 ARG 121 14.280 6.910 6.910
934 1HH2 ARG 121 HH12 ARG 121 15.226 5.249 5.249
935 2HH2 ARG 121 HH11 ARG 121 14.508 6.679 6.679
936 H TYR 122 HN TYR 122 15.204 -1.715 -1.715
937 HA TYR 122 HA TYR 122 12.560 -1.841 -1.841
938 1HB TYR 122 HB2 TYR 122 11.729 -0.461 -0.461
939 2HB TYR 122 HB3 TYR 122 13.258 -0.476 -0.476
940 HD1 TYR 122 HD2 TYR 122 10.535 -2.951 -2.951
941 HD2 TYR 122 HD1 TYR 122 13.177 -1.317 -1.317
942 HE1 TYR 122 HE2 TYR 122 9.544 -4.496 -4.496
943 HE2 TYR 122 HE1 TYR 122 12.176 -2.867 -2.867
944 HH TYR 122 HH TYR 122 9.954 -4.031 -4.031
945 H GLN 123 HN GLN 123 12.712 -3.986 -3.986
946 HA GLN 123 HA GLN 123 13.264 -6.097 -6.097
947 1HB GLN 123 HB2 GLN 123 11.258 -6.057 -6.057
948 2HB GLN 123 HB3 GLN 123 12.203 -5.625 -5.625
949 1HG GLN 123 HG2 GLN 123 13.423 -7.976 -7.976
950 2HG GLN 123 HG3 GLN 123 11.695 -8.265 -8.265
951 1HE2 GLN 123 HE22 GLN 123 13.494 -9.041 -9.041
952 2HE2 GLN 123 HE21 GLN 123 14.025 -9.210 -9.210
953 H MET 124 HN MET 124 15.585 -4.655 -4.655
954 HA MET 124 HA MET 124 17.044 -5.146 -5.146
955 1HB MET 124 HB2 MET 124 17.403 -3.913 -3.913
956 2HB MET 124 HB3 MET 124 18.811 -4.886 -4.886
957 1HG MET 124 HG2 MET 124 17.888 -3.276 -3.276
958 2HG MET 124 HG3 MET 124 18.330 -2.290 -2.290
959 1HE MET 124 HE1 MET 124 19.886 -1.227 -1.227
960 2HE MET 124 HE2 MET 124 21.114 -1.466 -1.466
961 3HE MET 124 HE3 MET 124 21.516 -1.792 -1.792
962 H GLY 125 HN GLY 125 16.041 -7.580 -7.580
963 1HA GLY 125 HA1 GLY 125 16.558 -9.763 -9.763
964 2HA GLY 125 HA2 GLY 125 18.241 -9.294 -9.294
965 H CYS 126 HN CYS 126 15.990 -8.021 -8.021
966 HA CYS 126 HA CYS 126 17.425 -8.950 -8.950
967 1HB CYS 126 HB2 CYS 126 15.842 -7.986 -7.986
968 2HB CYS 126 HB3 CYS 126 15.534 -7.165 -7.165
969 H GLU 127 HN GLU 127 15.817 -10.318 -10.318
970 HA GLU 127 HA GLU 127 14.376 -12.422 -12.422
971 1HB GLU 127 HB2 GLU 127 16.600 -13.101 -13.101
972 2HB GLU 127 HB3 GLU 127 17.250 -13.206 -13.206
973 1HG GLU 127 HG2 GLU 127 16.276 -15.235 -15.235
974 2HG GLU 127 HG3 GLU 127 14.725 -14.695 -14.695
Start of MODEL 18
1 H CYS 1 HN CYS 1 -11.038 -10.437 -10.437
2 HA CYS 1 HA CYS 1 -9.095 -12.096 -12.096
3 1HB CYS 1 HB2 CYS 1 -8.401 -9.473 -9.473
4 2HB CYS 1 HB3 CYS 1 -7.513 -10.334 -10.334
5 H SER 2 HN SER 2 -8.828 -10.151 -10.151
6 HA SER 2 HA SER 2 -7.820 -10.599 -10.599
7 1HB SER 2 HB2 SER 2 -8.600 -13.169 -13.169
8 2HB SER 2 HB3 SER 2 -9.506 -11.698 -11.698
9 HG SER 2 HG SER 2 -10.849 -12.108 -12.108
10 H CYS 3 HN CYS 3 -6.201 -11.201 -11.201
11 HA CYS 3 HA CYS 3 -5.015 -13.704 -13.704
12 1HB CYS 3 HB2 CYS 3 -3.448 -11.273 -11.273
13 2HB CYS 3 HB3 CYS 3 -3.425 -12.884 -12.884
14 H SER 4 HN SER 4 -2.185 -13.018 -13.018
15 HA SER 4 HA SER 4 -2.058 -12.166 -12.166
16 1HB SER 4 HB2 SER 4 -0.540 -14.041 -14.041
17 2HB SER 4 HB3 SER 4 -2.113 -14.628 -14.628
18 HG SER 4 HG SER 4 -0.959 -15.843 -15.843
19 HA PRO 5 HA PRO 5 1.224 -9.987 -9.987
20 1HB PRO 5 HB2 PRO 5 1.801 -8.293 -8.293
21 2HB PRO 5 HB3 PRO 5 0.547 -7.972 -7.972
22 1HG PRO 5 HG2 PRO 5 0.269 -8.866 -8.866
23 2HG PRO 5 HG3 PRO 5 -0.937 -8.141 -8.141
24 1HD PRO 5 HD2 PRO 5 -0.716 -10.914 -10.914
25 2HD PRO 5 HD3 PRO 5 -1.848 -10.207 -10.207
26 H VAL 6 HN VAL 6 2.757 -11.547 -11.547
27 HA VAL 6 HA VAL 6 4.527 -11.916 -11.916
28 HB VAL 6 HB VAL 6 3.209 -13.915 -13.915
29 1HG1 VAL 6 HG13 VAL 6 4.132 -13.114 -13.114
30 2HG1 VAL 6 HG11 VAL 6 4.739 -14.749 -14.749
31 3HG1 VAL 6 HG12 VAL 6 2.993 -14.412 -14.412
32 1HG2 VAL 6 HG22 VAL 6 6.122 -13.712 -13.712
33 2HG2 VAL 6 HG23 VAL 6 4.956 -14.798 -14.798
34 3HG2 VAL 6 HG21 VAL 6 5.597 -15.204 -15.204
35 H HIS 7 HN HIS 7 6.098 -13.444 -13.444
36 HA HIS 7 HA HIS 7 8.074 -12.861 -12.861
37 1HB HIS 7 HB2 HIS 7 7.515 -11.199 -11.199
38 2HB HIS 7 HB3 HIS 7 7.092 -12.899 -12.899
39 HD1 HIS 7 HD1 HIS 7 4.744 -13.314 -13.314
40 HD2 HIS 7 HD2 HIS 7 5.159 -9.619 -9.619
41 HE1 HIS 7 HE1 HIS 7 2.436 -12.225 -12.225
42 HA PRO 8 HA PRO 8 8.910 -9.067 -9.067
43 1HB PRO 8 HB2 PRO 8 11.183 -9.924 -9.924
44 2HB PRO 8 HB3 PRO 8 9.588 -10.054 -10.054
45 1HG PRO 8 HG2 PRO 8 11.260 -12.176 -12.176
46 2HG PRO 8 HG3 PRO 8 9.888 -12.337 -12.337
47 1HD PRO 8 HD2 PRO 8 9.906 -12.786 -12.786
48 2HD PRO 8 HD3 PRO 8 8.511 -12.835 -12.835
49 H GLN 9 HN GLN 9 10.034 -10.504 -10.504
50 HA GLN 9 HA GLN 9 11.814 -8.266 -8.266
51 1HB GLN 9 HB2 GLN 9 13.284 -10.130 -10.130
52 2HB GLN 9 HB3 GLN 9 12.586 -11.171 -11.171
53 1HG GLN 9 HG2 GLN 9 14.131 -10.408 -10.408
54 2HG GLN 9 HG3 GLN 9 13.376 -8.828 -8.828
55 1HE2 GLN 9 HE22 GLN 9 15.580 -7.610 -7.610
56 2HE2 GLN 9 HE21 GLN 9 13.891 -7.725 -7.725
57 H GLN 10 HN GLN 10 10.082 -11.150 -11.150
58 HA GLN 10 HA GLN 10 10.263 -10.371 -10.371
59 1HB GLN 10 HB2 GLN 10 7.903 -11.943 -11.943
60 2HB GLN 10 HB3 GLN 10 8.806 -12.166 -12.166
61 1HG GLN 10 HG2 GLN 10 10.825 -12.642 -12.642
62 2HG GLN 10 HG3 GLN 10 9.501 -13.047 -13.047
63 1HE2 GLN 10 HE22 GLN 10 10.576 -16.130 -16.130
64 2HE2 GLN 10 HE21 GLN 10 11.278 -14.950 -14.950
65 H ALA 11 HN ALA 11 8.724 -8.820 -8.820
66 HA ALA 11 HA ALA 11 6.366 -7.994 -7.994
67 1HB ALA 11 HB1 ALA 11 7.481 -7.831 -7.831
68 2HB ALA 11 HB2 ALA 11 6.678 -6.329 -6.329
69 3HB ALA 11 HB3 ALA 11 5.785 -7.869 -7.869
70 H PHE 12 HN PHE 12 9.649 -6.770 -6.770
71 HA PHE 12 HA PHE 12 9.034 -4.220 -4.220
72 1HB PHE 12 HB2 PHE 12 11.522 -5.572 -5.572
73 2HB PHE 12 HB3 PHE 12 11.556 -3.934 -3.934
74 HD1 PHE 12 HD1 PHE 12 9.132 -5.786 -5.786
75 HD2 PHE 12 HD2 PHE 12 11.695 -2.431 -2.431
76 HE1 PHE 12 HE1 PHE 12 8.376 -4.923 -4.923
77 HE2 PHE 12 HE2 PHE 12 10.940 -1.569 -1.569
78 HZ PHE 12 HZ PHE 12 9.289 -2.824 -2.824
79 H CYS 13 HN CYS 13 9.549 -7.232 -7.232
80 HA CYS 13 HA CYS 13 11.241 -6.208 -6.208
81 1HB CYS 13 HB2 CYS 13 10.972 -8.892 -8.892
82 2HB CYS 13 HB3 CYS 13 11.284 -8.838 -8.838
83 H ASN 14 HN ASN 14 8.069 -7.115 -7.115
84 HA ASN 14 HA ASN 14 7.263 -7.826 -7.826
85 1HB ASN 14 HB2 ASN 14 6.370 -8.505 -8.505
86 2HB ASN 14 HB3 ASN 14 5.060 -7.603 -7.603
87 1HD2 ASN 14 HD22 ASN 14 5.898 -11.427 -11.427
88 2HD2 ASN 14 HD21 ASN 14 6.696 -10.552 -10.552
89 H ALA 15 HN ALA 15 6.817 -5.372 -5.372
90 HA ALA 15 HA ALA 15 4.772 -3.888 -3.888
91 1HB ALA 15 HB3 ALA 15 7.186 -3.053 -3.053
92 2HB ALA 15 HB1 ALA 15 5.760 -2.028 -2.028
93 3HB ALA 15 HB2 ALA 15 5.590 -3.555 -3.555
94 H ASP 16 HN ASP 16 5.180 -1.475 -1.475
95 HA ASP 16 HA ASP 16 7.440 -1.345 -1.345
96 1HB ASP 16 HB2 ASP 16 4.606 -1.741 -1.741
97 2HB ASP 16 HB3 ASP 16 5.508 -0.513 -0.513
98 H VAL 17 HN VAL 17 5.875 -0.023 -0.023
99 HA VAL 17 HA VAL 17 6.498 2.649 2.649
100 HB VAL 17 HB VAL 17 4.354 2.358 2.358
101 1HG1 VAL 17 HG13 VAL 17 3.562 0.973 0.973
102 2HG1 VAL 17 HG11 VAL 17 2.625 2.486 2.486
103 3HG1 VAL 17 HG12 VAL 17 2.542 1.420 1.420
104 1HG2 VAL 17 HG21 VAL 17 5.227 4.498 4.498
105 2HG2 VAL 17 HG22 VAL 17 3.743 4.505 4.505
106 3HG2 VAL 17 HG23 VAL 17 3.644 4.252 4.252
107 H VAL 18 HN VAL 18 7.812 2.390 2.390
108 HA VAL 18 HA VAL 18 6.352 1.915 1.915
109 HB VAL 18 HB VAL 18 9.297 2.238 2.238
110 1HG1 VAL 18 HG13 VAL 18 7.237 0.989 0.989
111 2HG1 VAL 18 HG11 VAL 18 8.532 -0.168 -0.168
112 3HG1 VAL 18 HG12 VAL 18 8.927 1.373 1.373
113 1HG2 VAL 18 HG22 VAL 18 8.795 0.993 0.993
114 2HG2 VAL 18 HG23 VAL 18 9.754 0.071 0.071
115 3HG2 VAL 18 HG21 VAL 18 8.019 -0.270 -0.270
116 H ILE 19 HN ILE 19 5.708 3.622 3.622
117 HA ILE 19 HA ILE 19 7.398 5.980 5.980
118 HB ILE 19 HB ILE 19 5.656 7.505 7.505
119 1HG1 ILE 19 HG12 ILE 19 3.908 5.102 5.102
120 2HG1 ILE 19 HG13 ILE 19 3.627 6.748 6.748
121 1HG2 ILE 19 HG23 ILE 19 7.018 6.320 6.320
122 2HG2 ILE 19 HG21 ILE 19 5.530 5.408 5.408
123 3HG2 ILE 19 HG22 ILE 19 5.542 7.180 7.180
124 1HD1 ILE 19 HD12 ILE 19 3.608 7.325 7.325
125 2HD1 ILE 19 HD13 ILE 19 3.333 5.578 5.578
126 3HD1 ILE 19 HD11 ILE 19 2.176 6.559 6.559
127 H ARG 20 HN ARG 20 7.647 6.624 6.624
128 HA ARG 20 HA ARG 20 6.101 5.300 5.300
129 1HB ARG 20 HB2 ARG 20 8.612 5.998 5.998
130 2HB ARG 20 HB3 ARG 20 8.034 7.612 7.612
131 1HG ARG 20 HG2 ARG 20 6.622 5.704 5.704
132 2HG ARG 20 HG3 ARG 20 8.345 5.410 5.410
133 1HD ARG 20 HD2 ARG 20 6.896 8.051 8.051
134 2HD ARG 20 HD3 ARG 20 7.720 7.063 7.063
135 HE ARG 20 HE ARG 20 9.454 7.911 7.911
136 1HH1 ARG 20 HH22 ARG 20 8.175 8.769 8.769
137 2HH1 ARG 20 HH21 ARG 20 9.470 9.857 9.857
138 1HH2 ARG 20 HH12 ARG 20 11.164 9.346 9.346
139 2HH2 ARG 20 HH11 ARG 20 11.182 10.188 10.188
140 H THR 21 HN THR 21 4.382 6.846 6.846
141 HA THR 21 HA THR 21 3.921 9.441 9.441
142 HB THR 21 HB THR 21 3.100 8.806 8.806
143 HG1 THR 21 HG1 THR 21 0.870 8.644 8.644
144 1HG2 THR 21 HG22 THR 21 2.839 6.276 6.276
145 2HG2 THR 21 HG23 THR 21 1.221 6.777 6.777
146 3HG2 THR 21 HG21 THR 21 1.672 6.951 6.951
147 H LYS 22 HN LYS 22 1.567 9.955 9.955
148 HA LYS 22 HA LYS 22 1.091 8.104 8.104
149 1HB LYS 22 HB2 LYS 22 0.899 9.944 9.944
150 2HB LYS 22 HB3 LYS 22 2.474 9.993 9.993
151 1HG LYS 22 HG2 LYS 22 1.765 11.774 11.774
152 2HG LYS 22 HG3 LYS 22 0.098 11.623 11.623
153 1HD LYS 22 HD2 LYS 22 2.458 12.683 12.683
154 2HD LYS 22 HD3 LYS 22 0.985 13.530 13.530
155 1HE LYS 22 HE2 LYS 22 -0.267 11.729 11.729
156 2HE LYS 22 HE3 LYS 22 1.308 11.276 11.276
157 1HZ LYS 22 HZ1 LYS 22 1.589 13.632 13.632
158 2HZ LYS 22 HZ2 LYS 22 0.034 13.910 13.910
159 3HZ LYS 22 HZ3 LYS 22 0.383 12.878 12.878
160 H ALA 23 HN ALA 23 -0.957 7.366 7.366
161 HA ALA 23 HA ALA 23 -2.877 8.843 8.843
162 1HB ALA 23 HB1 ALA 23 -2.953 6.094 6.094
163 2HB ALA 23 HB2 ALA 23 -4.221 6.765 6.765
164 3HB ALA 23 HB3 ALA 23 -2.600 6.441 6.441
165 H VAL 24 HN VAL 24 -3.823 10.520 10.520
166 HA VAL 24 HA VAL 24 -4.629 9.993 9.993
167 HB VAL 24 HB VAL 24 -4.832 12.554 12.554
168 1HG1 VAL 24 HG13 VAL 24 -2.261 10.981 10.981
169 2HG1 VAL 24 HG11 VAL 24 -2.247 12.739 12.739
170 3HG1 VAL 24 HG12 VAL 24 -3.143 11.668 11.668
171 1HG2 VAL 24 HG23 VAL 24 -4.498 12.477 12.477
172 2HG2 VAL 24 HG21 VAL 24 -3.857 13.825 13.825
173 3HG2 VAL 24 HG22 VAL 24 -2.774 12.513 12.513
174 H SER 25 HN SER 25 -5.665 11.034 11.034
175 HA SER 25 HA SER 25 -8.400 10.957 10.957
176 1HB SER 25 HB2 SER 25 -8.107 13.153 13.153
177 2HB SER 25 HB3 SER 25 -7.066 12.648 12.648
178 HG SER 25 HG SER 25 -8.995 11.602 11.602
179 H GLU 26 HN GLU 26 -10.043 10.209 10.209
180 HA GLU 26 HA GLU 26 -8.869 8.513 8.513
181 1HB GLU 26 HB2 GLU 26 -10.485 7.467 7.467
182 2HB GLU 26 HB3 GLU 26 -10.458 6.606 6.606
183 1HG GLU 26 HG2 GLU 26 -8.546 5.617 5.617
184 2HG GLU 26 HG3 GLU 26 -7.750 7.152 7.152
185 H LYS 27 HN LYS 27 -11.050 7.193 7.193
186 HA LYS 27 HA LYS 27 -13.310 8.984 8.984
187 1HB LYS 27 HB2 LYS 27 -11.791 10.024 10.024
188 2HB LYS 27 HB3 LYS 27 -11.660 8.508 8.508
189 1HG LYS 27 HG2 LYS 27 -13.827 8.638 8.638
190 2HG LYS 27 HG3 LYS 27 -14.439 9.531 9.531
191 1HD LYS 27 HD2 LYS 27 -14.231 10.857 10.857
192 2HD LYS 27 HD3 LYS 27 -13.511 11.601 11.601
193 1HE LYS 27 HE2 LYS 27 -11.270 10.814 10.814
194 2HE LYS 27 HE3 LYS 27 -11.944 9.905 9.905
195 1HZ LYS 27 HZ2 LYS 27 -12.809 12.074 12.074
196 2HZ LYS 27 HZ3 LYS 27 -11.899 12.818 12.818
197 3HZ LYS 27 HZ1 LYS 27 -11.182 11.928 11.928
198 H GLU 28 HN GLU 28 -14.940 7.586 7.586
199 HA GLU 28 HA GLU 28 -14.632 4.855 4.855
200 1HB GLU 28 HB2 GLU 28 -15.857 5.454 5.454
201 2HB GLU 28 HB3 GLU 28 -16.953 6.484 6.484
202 1HG GLU 28 HG2 GLU 28 -17.107 3.937 3.937
203 2HG GLU 28 HG3 GLU 28 -17.097 3.601 3.601
204 H VAL 29 HN VAL 29 -14.453 4.590 4.590
205 HA VAL 29 HA VAL 29 -16.678 5.640 5.640
206 HB VAL 29 HB VAL 29 -15.194 5.126 5.126
207 1HG1 VAL 29 HG13 VAL 29 -15.132 7.278 7.278
208 2HG1 VAL 29 HG11 VAL 29 -13.414 6.829 6.829
209 3HG1 VAL 29 HG12 VAL 29 -14.344 7.202 7.202
210 1HG2 VAL 29 HG22 VAL 29 -13.800 3.556 3.556
211 2HG2 VAL 29 HG23 VAL 29 -13.292 3.961 3.961
212 3HG2 VAL 29 HG21 VAL 29 -12.729 4.948 4.948
213 H ASP 30 HN ASP 30 -18.264 4.088 4.088
214 HA ASP 30 HA ASP 30 -17.963 1.448 1.448
215 1HB ASP 30 HB2 ASP 30 -20.181 3.211 3.211
216 2HB ASP 30 HB3 ASP 30 -20.380 1.491 1.491
217 H SER 31 HN SER 31 -18.151 -0.413 -0.413
218 HA SER 31 HA SER 31 -17.915 0.289 0.289
219 1HB SER 31 HB2 SER 31 -15.667 -0.194 -0.194
220 2HB SER 31 HB3 SER 31 -16.051 -1.370 -1.370
221 HG SER 31 HG SER 31 -16.279 -1.692 -1.692
222 H GLY 32 HN GLY 32 -20.219 -0.600 -0.600
223 1HA GLY 32 HA1 GLY 32 -21.933 -2.041 -2.041
224 2HA GLY 32 HA2 GLY 32 -21.231 -2.617 -2.617
225 H ASN 33 HN ASN 33 -22.286 -4.680 -4.680
226 HA ASN 33 HA ASN 33 -20.736 -5.814 -5.814
227 1HB ASN 33 HB2 ASN 33 -22.699 -7.360 -7.360
228 2HB ASN 33 HB3 ASN 33 -22.338 -7.593 -7.593
229 1HD2 ASN 33 HD22 ASN 33 -25.664 -5.902 -5.902
230 2HD2 ASN 33 HD21 ASN 33 -24.908 -7.326 -7.326
231 H ASP 34 HN ASP 34 -19.846 -8.170 -8.170
232 HA ASP 34 HA ASP 34 -18.350 -8.099 -8.099
233 1HB ASP 34 HB2 ASP 34 -17.504 -8.583 -8.583
234 2HB ASP 34 HB3 ASP 34 -18.012 -10.219 -10.219
235 H ILE 35 HN ILE 35 -17.794 -10.979 -10.979
236 HA ILE 35 HA ILE 35 -20.224 -11.837 -11.837
237 HB ILE 35 HB ILE 35 -17.535 -13.175 -13.175
238 1HG1 ILE 35 HG12 ILE 35 -17.347 -12.513 -12.513
239 2HG1 ILE 35 HG13 ILE 35 -18.703 -11.437 -11.437
240 1HG2 ILE 35 HG21 ILE 35 -20.045 -13.963 -13.963
241 2HG2 ILE 35 HG22 ILE 35 -18.451 -14.435 -14.435
242 3HG2 ILE 35 HG23 ILE 35 -18.945 -14.948 -14.948
243 1HD1 ILE 35 HD12 ILE 35 -16.358 -11.327 -11.327
244 2HD1 ILE 35 HD13 ILE 35 -16.224 -10.552 -10.552
245 3HD1 ILE 35 HD11 ILE 35 -17.495 -10.037 -10.037
246 H TYR 36 HN TYR 36 -19.319 -11.663 -11.663
247 HA TYR 36 HA TYR 36 -20.492 -14.273 -14.273
248 1HB TYR 36 HB2 TYR 36 -18.143 -13.113 -13.113
249 2HB TYR 36 HB3 TYR 36 -19.199 -12.308 -12.308
250 HD1 TYR 36 HD1 TYR 36 -18.634 -15.797 -15.797
251 HD2 TYR 36 HD2 TYR 36 -19.382 -13.280 -13.280
252 HE1 TYR 36 HE1 TYR 36 -18.514 -17.816 -17.816
253 HE2 TYR 36 HE2 TYR 36 -19.258 -15.308 -15.308
254 HH TYR 36 HH TYR 36 -17.866 -17.906 -17.906
255 H GLY 37 HN GLY 37 -21.391 -11.088 -11.088
256 1HA GLY 37 HA1 GLY 37 -23.480 -10.223 -10.223
257 2HA GLY 37 HA2 GLY 37 -23.753 -11.427 -11.427
258 H ASN 38 HN ASN 38 -20.706 -10.481 -10.481
259 HA ASN 38 HA ASN 38 -21.649 -8.821 -8.821
260 1HB ASN 38 HB2 ASN 38 -19.083 -8.683 -8.683
261 2HB ASN 38 HB3 ASN 38 -19.839 -10.259 -10.259
262 1HD2 ASN 38 HD22 ASN 38 -16.721 -10.688 -10.688
263 2HD2 ASN 38 HD21 ASN 38 -17.209 -10.200 -10.200
264 HA PRO 39 HA PRO 39 -20.667 -5.003 -5.003
265 1HB PRO 39 HB2 PRO 39 -20.172 -3.385 -3.385
266 2HB PRO 39 HB3 PRO 39 -21.788 -3.797 -3.797
267 1HG PRO 39 HG2 PRO 39 -20.297 -4.814 -4.814
268 2HG PRO 39 HG3 PRO 39 -22.020 -4.874 -4.874
269 1HD PRO 39 HD2 PRO 39 -20.151 -7.035 -7.035
270 2HD PRO 39 HD3 PRO 39 -21.851 -7.063 -7.063
271 H ILE 40 HN ILE 40 -19.033 -4.252 -4.252
272 HA ILE 40 HA ILE 40 -16.439 -5.150 -5.150
273 HB ILE 40 HB ILE 40 -17.453 -3.284 -3.284
274 1HG1 ILE 40 HG12 ILE 40 -16.671 -6.213 -6.213
275 2HG1 ILE 40 HG13 ILE 40 -18.291 -5.563 -5.563
276 1HG2 ILE 40 HG22 ILE 40 -14.979 -3.046 -3.046
277 2HG2 ILE 40 HG23 ILE 40 -14.751 -4.591 -4.591
278 3HG2 ILE 40 HG21 ILE 40 -15.352 -3.166 -3.166
279 1HD1 ILE 40 HD13 ILE 40 -16.505 -4.270 -4.270
280 2HD1 ILE 40 HD11 ILE 40 -16.440 -6.041 -6.041
281 3HD1 ILE 40 HD12 ILE 40 -17.999 -5.191 -5.191
282 H LYS 41 HN LYS 41 -16.845 -1.780 -1.780
283 HA LYS 41 HA LYS 41 -16.374 0.152 0.152
284 1HB LYS 41 HB2 LYS 41 -17.773 -0.735 -0.735
285 2HB LYS 41 HB3 LYS 41 -16.296 -1.281 -1.281
286 1HG LYS 41 HG2 LYS 41 -15.409 1.054 1.054
287 2HG LYS 41 HG3 LYS 41 -16.870 1.607 1.607
288 1HD LYS 41 HD2 LYS 41 -17.196 0.060 0.060
289 2HD LYS 41 HD3 LYS 41 -16.561 1.688 1.688
290 1HE LYS 41 HE2 LYS 41 -18.551 2.455 2.455
291 2HE LYS 41 HE3 LYS 41 -19.214 0.844 0.844
292 1HZ LYS 41 HZ1 LYS 41 -18.397 1.919 1.919
293 2HZ LYS 41 HZ2 LYS 41 -19.464 2.912 2.912
294 3HZ LYS 41 HZ3 LYS 41 -19.863 1.355 1.355
295 H ARG 42 HN ARG 42 -14.440 1.081 1.081
296 HA ARG 42 HA ARG 42 -12.125 -0.344 -0.344
297 1HB ARG 42 HB2 ARG 42 -11.167 1.059 1.059
298 2HB ARG 42 HB3 ARG 42 -11.517 -0.659 -0.659
299 1HG ARG 42 HG2 ARG 42 -13.937 -0.079 -0.079
300 2HG ARG 42 HG3 ARG 42 -13.405 1.572 1.572
301 1HD ARG 42 HD2 ARG 42 -11.528 0.333 0.333
302 2HD ARG 42 HD3 ARG 42 -12.774 -0.894 -0.894
303 HE ARG 42 HE ARG 42 -14.022 1.615 1.615
304 1HH1 ARG 42 HH22 ARG 42 -11.646 -0.503 -0.503
305 2HH1 ARG 42 HH21 ARG 42 -12.002 0.028 0.028
306 1HH2 ARG 42 HH12 ARG 42 -14.491 2.316 2.316
307 2HH2 ARG 42 HH11 ARG 42 -13.631 1.642 1.642
308 H ILE 43 HN ILE 43 -12.746 1.315 1.315
309 HA ILE 43 HA ILE 43 -12.762 3.961 3.961
310 HB ILE 43 HB ILE 43 -11.872 1.971 1.971
311 1HG1 ILE 43 HG12 ILE 43 -13.053 3.596 3.596
312 2HG1 ILE 43 HG13 ILE 43 -13.368 4.600 4.600
313 1HG2 ILE 43 HG22 ILE 43 -10.545 4.688 4.688
314 2HG2 ILE 43 HG23 ILE 43 -10.730 3.674 3.674
315 3HG2 ILE 43 HG21 ILE 43 -9.783 3.080 3.080
316 1HD1 ILE 43 HD11 ILE 43 -14.054 1.769 1.769
317 2HD1 ILE 43 HD12 ILE 43 -14.966 2.492 2.492
318 3HD1 ILE 43 HD13 ILE 43 -15.030 3.234 3.234
319 H GLN 44 HN GLN 44 -11.294 5.729 5.729
320 HA GLN 44 HA GLN 44 -9.003 5.080 5.080
321 1HB GLN 44 HB2 GLN 44 -10.345 7.702 7.702
322 2HB GLN 44 HB3 GLN 44 -8.853 7.648 7.648
323 1HG GLN 44 HG2 GLN 44 -11.600 6.647 6.647
324 2HG GLN 44 HG3 GLN 44 -10.552 7.761 7.761
325 1HE2 GLN 44 HE22 GLN 44 -10.080 3.670 3.670
326 2HE2 GLN 44 HE21 GLN 44 -11.049 4.421 4.421
327 H TYR 45 HN TYR 45 -7.068 6.881 6.881
328 HA TYR 45 HA TYR 45 -6.584 6.782 6.782
329 1HB TYR 45 HB2 TYR 45 -5.212 5.430 5.430
330 2HB TYR 45 HB3 TYR 45 -4.113 6.273 6.273
331 HD1 TYR 45 HD2 TYR 45 -5.790 5.768 5.768
332 HD2 TYR 45 HD1 TYR 45 -4.438 3.211 3.211
333 HE1 TYR 45 HE2 TYR 45 -5.823 3.781 3.781
334 HE2 TYR 45 HE1 TYR 45 -4.475 1.232 1.232
335 HH TYR 45 HH TYR 45 -5.327 1.692 1.692
336 H GLU 46 HN GLU 46 -7.338 9.121 9.121
337 HA GLU 46 HA GLU 46 -5.639 10.700 10.700
338 1HB GLU 46 HB2 GLU 46 -8.082 11.083 11.083
339 2HB GLU 46 HB3 GLU 46 -7.189 11.867 11.867
340 1HG GLU 46 HG2 GLU 46 -6.218 13.478 13.478
341 2HG GLU 46 HG3 GLU 46 -6.671 12.552 12.552
342 H ILE 47 HN ILE 47 -3.549 9.716 9.716
343 HA ILE 47 HA ILE 47 -2.770 10.347 10.347
344 HB ILE 47 HB ILE 47 -0.531 9.715 9.715
345 1HG1 ILE 47 HG12 ILE 47 -1.827 9.950 9.950
346 2HG1 ILE 47 HG13 ILE 47 -0.260 10.520 10.520
347 1HG2 ILE 47 HG23 ILE 47 -2.885 8.114 8.114
348 2HG2 ILE 47 HG21 ILE 47 -1.830 7.503 7.503
349 3HG2 ILE 47 HG22 ILE 47 -1.206 7.648 7.648
350 1HD1 ILE 47 HD12 ILE 47 0.009 7.796 7.796
351 2HD1 ILE 47 HD13 ILE 47 -1.043 7.858 7.858
352 3HD1 ILE 47 HD11 ILE 47 0.542 8.669 8.669
353 H LYS 48 HN LYS 48 -0.265 11.570 11.570
354 HA LYS 48 HA LYS 48 -0.934 14.196 14.196
355 1HB LYS 48 HB2 LYS 48 -1.126 13.802 13.802
356 2HB LYS 48 HB3 LYS 48 0.613 14.002 14.002
357 1HG LYS 48 HG2 LYS 48 0.433 16.205 16.205
358 2HG LYS 48 HG3 LYS 48 -1.264 15.983 15.983
359 1HD LYS 48 HD2 LYS 48 -0.569 17.388 17.388
360 2HD LYS 48 HD3 LYS 48 -1.952 16.316 16.316
361 1HE LYS 48 HE2 LYS 48 -0.688 14.600 14.600
362 2HE LYS 48 HE3 LYS 48 0.840 15.374 15.374
363 1HZ LYS 48 HZ2 LYS 48 -1.099 16.916 16.916
364 2HZ LYS 48 HZ3 LYS 48 -0.341 15.702 15.702
365 3HZ LYS 48 HZ1 LYS 48 0.530 16.907 16.907
366 H GLN 49 HN GLN 49 0.969 11.505 11.505
367 HA GLN 49 HA GLN 49 2.961 11.057 11.057
368 1HB GLN 49 HB2 GLN 49 2.584 11.890 11.890
369 2HB GLN 49 HB3 GLN 49 2.089 13.463 13.463
370 1HG GLN 49 HG2 GLN 49 4.209 13.657 13.657
371 2HG GLN 49 HG3 GLN 49 4.462 14.069 14.069
372 1HE2 GLN 49 HE22 GLN 49 5.665 10.295 10.295
373 2HE2 GLN 49 HE21 GLN 49 4.171 10.996 10.996
374 H ILE 50 HN ILE 50 4.699 10.943 10.943
375 HA ILE 50 HA ILE 50 5.828 13.500 13.500
376 HB ILE 50 HB ILE 50 5.661 12.909 12.909
377 1HG1 ILE 50 HG12 ILE 50 6.921 10.332 10.332
378 2HG1 ILE 50 HG13 ILE 50 7.601 11.610 11.610
379 1HG2 ILE 50 HG22 ILE 50 3.489 11.979 11.979
380 2HG2 ILE 50 HG23 ILE 50 4.197 10.379 10.379
381 3HG2 ILE 50 HG21 ILE 50 3.905 11.516 11.516
382 1HD1 ILE 50 HD13 ILE 50 5.707 11.002 11.002
383 2HD1 ILE 50 HD11 ILE 50 5.581 9.489 9.489
384 3HD1 ILE 50 HD12 ILE 50 7.114 9.921 9.921
385 H LYS 51 HN LYS 51 6.272 10.210 10.210
386 HA LYS 51 HA LYS 51 8.943 10.967 10.967
387 1HB LYS 51 HB2 LYS 51 8.582 9.448 9.448
388 2HB LYS 51 HB3 LYS 51 9.071 8.300 8.300
389 1HG LYS 51 HG2 LYS 51 10.778 10.426 10.426
390 2HG LYS 51 HG3 LYS 51 10.610 10.533 10.533
391 1HD LYS 51 HD2 LYS 51 11.635 8.475 8.475
392 2HD LYS 51 HD3 LYS 51 11.067 7.790 7.790
393 1HE LYS 51 HE2 LYS 51 12.744 8.972 8.972
394 2HE LYS 51 HE3 LYS 51 13.152 10.011 10.011
395 1HZ LYS 51 HZ1 LYS 51 13.867 7.972 7.972
396 2HZ LYS 51 HZ2 LYS 51 13.657 7.128 7.128
397 3HZ LYS 51 HZ3 LYS 51 14.766 8.325 8.325
398 H MET 52 HN MET 52 9.846 9.289 9.289
399 HA MET 52 HA MET 52 7.767 7.647 7.647
400 1HB MET 52 HB2 MET 52 8.325 8.592 8.592
401 2HB MET 52 HB3 MET 52 7.543 9.752 9.752
402 1HG MET 52 HG2 MET 52 9.486 11.025 11.025
403 2HG MET 52 HG3 MET 52 10.552 9.651 9.651
404 1HE MET 52 HE1 MET 52 10.744 12.622 12.622
405 2HE MET 52 HE2 MET 52 10.064 12.768 12.768
406 3HE MET 52 HE3 MET 52 8.981 12.701 12.701
407 H PHE 53 HN PHE 53 9.380 6.142 6.142
408 HA PHE 53 HA PHE 53 11.957 5.784 5.784
409 1HB PHE 53 HB2 PHE 53 9.535 4.060 4.060
410 2HB PHE 53 HB3 PHE 53 10.891 3.199 3.199
411 HD1 PHE 53 HD2 PHE 53 13.228 4.070 4.070
412 HD2 PHE 53 HD1 PHE 53 9.340 3.674 3.674
413 HE1 PHE 53 HE2 PHE 53 14.228 3.788 3.788
414 HE2 PHE 53 HE1 PHE 53 10.340 3.391 3.391
415 HZ PHE 53 HZ PHE 53 12.773 3.451 3.451
416 H LYS 54 HN LYS 54 9.653 3.801 3.801
417 HA LYS 54 HA LYS 54 11.270 4.473 4.473
418 1HB LYS 54 HB2 LYS 54 12.120 2.355 2.355
419 2HB LYS 54 HB3 LYS 54 10.509 1.709 1.709
420 1HG LYS 54 HG2 LYS 54 11.515 0.906 0.906
421 2HG LYS 54 HG3 LYS 54 10.052 1.826 1.826
422 1HD LYS 54 HD2 LYS 54 12.431 3.561 3.561
423 2HD LYS 54 HD3 LYS 54 12.579 2.301 2.301
424 1HE LYS 54 HE2 LYS 54 11.009 3.264 3.264
425 2HE LYS 54 HE3 LYS 54 9.882 3.470 3.470
426 1HZ LYS 54 HZ3 LYS 54 11.838 5.273 5.273
427 2HZ LYS 54 HZ1 LYS 54 11.667 5.350 5.350
428 3HZ LYS 54 HZ2 LYS 54 10.378 5.601 5.601
429 H GLY 55 HN GLY 55 9.429 6.042 6.042
430 1HA GLY 55 HA1 GLY 55 7.096 4.671 4.671
431 2HA GLY 55 HA2 GLY 55 6.946 6.094 6.094
432 HA PRO 56 HA PRO 56 7.387 7.581 7.581
433 1HB PRO 56 HB2 PRO 56 5.144 9.141 9.141
434 2HB PRO 56 HB3 PRO 56 5.179 7.486 7.486
435 1HG PRO 56 HG2 PRO 56 4.006 8.558 8.558
436 2HG PRO 56 HG3 PRO 56 3.694 7.025 7.025
437 1HD PRO 56 HD2 PRO 56 5.305 7.456 7.456
438 2HD PRO 56 HD3 PRO 56 5.086 5.944 5.944
439 H GLU 57 HN GLU 57 6.874 10.134 10.134
440 HA GLU 57 HA GLU 57 8.745 11.438 11.438
441 1HB GLU 57 HB2 GLU 57 7.570 12.805 12.805
442 2HB GLU 57 HB3 GLU 57 9.207 12.869 12.869
443 1HG GLU 57 HG2 GLU 57 9.393 10.365 10.365
444 2HG GLU 57 HG3 GLU 57 7.903 10.600 10.600
445 H LYS 58 HN LYS 58 5.325 11.636 11.636
446 HA LYS 58 HA LYS 58 4.861 14.133 14.133
447 1HB LYS 58 HB2 LYS 58 3.604 12.869 12.869
448 2HB LYS 58 HB3 LYS 58 2.658 12.212 12.212
449 1HG LYS 58 HG2 LYS 58 1.480 14.142 14.142
450 2HG LYS 58 HG3 LYS 58 2.942 15.005 15.005
451 1HD LYS 58 HD2 LYS 58 2.312 14.343 14.343
452 2HD LYS 58 HD3 LYS 58 1.651 15.774 15.774
453 1HE LYS 58 HE2 LYS 58 4.407 15.788 15.788
454 2HE LYS 58 HE3 LYS 58 4.365 15.302 15.302
455 1HZ LYS 58 HZ1 LYS 58 2.557 17.402 17.402
456 2HZ LYS 58 HZ2 LYS 58 4.044 17.827 17.827
457 3HZ LYS 58 HZ3 LYS 58 3.828 17.347 17.347
458 H ASP 59 HN ASP 59 3.223 10.985 10.985
459 HA ASP 59 HA ASP 59 3.975 10.173 10.173
460 1HB ASP 59 HB2 ASP 59 4.325 12.228 12.228
461 2HB ASP 59 HB3 ASP 59 2.846 12.935 12.935
462 H ILE 60 HN ILE 60 2.185 9.179 9.179
463 HA ILE 60 HA ILE 60 -0.359 9.209 9.209
464 HB ILE 60 HB ILE 60 0.488 6.939 6.939
465 1HG1 ILE 60 HG12 ILE 60 2.317 7.720 7.720
466 2HG1 ILE 60 HG13 ILE 60 1.985 6.029 6.029
467 1HG2 ILE 60 HG23 ILE 60 -1.575 7.518 7.518
468 2HG2 ILE 60 HG21 ILE 60 -0.719 5.991 5.991
469 3HG2 ILE 60 HG22 ILE 60 -1.506 6.258 6.258
470 1HD1 ILE 60 HD11 ILE 60 0.225 7.265 7.265
471 2HD1 ILE 60 HD12 ILE 60 1.947 7.158 7.158
472 3HD1 ILE 60 HD13 ILE 60 1.048 5.686 5.686
473 H GLU 61 HN GLU 61 -0.929 11.153 11.153
474 HA GLU 61 HA GLU 61 -1.057 10.916 10.916
475 1HB GLU 61 HB2 GLU 61 -1.443 12.961 12.961
476 2HB GLU 61 HB3 GLU 61 -2.865 12.939 12.939
477 1HG GLU 61 HG2 GLU 61 -0.860 12.705 12.705
478 2HG GLU 61 HG3 GLU 61 -0.058 13.680 13.680
479 H PHE 62 HN PHE 62 -2.875 9.523 9.523
480 HA PHE 62 HA PHE 62 -5.101 9.096 9.096
481 1HB PHE 62 HB2 PHE 62 -4.965 10.105 10.105
482 2HB PHE 62 HB3 PHE 62 -6.214 8.912 8.912
483 HD1 PHE 62 HD1 PHE 62 -7.875 9.382 9.382
484 HD2 PHE 62 HD2 PHE 62 -5.305 12.348 12.348
485 HE1 PHE 62 HE1 PHE 62 -9.369 11.176 11.176
486 HE2 PHE 62 HE2 PHE 62 -6.801 14.143 14.143
487 HZ PHE 62 HZ PHE 62 -8.815 13.537 13.537
488 H ILE 63 HN ILE 63 -4.256 7.041 7.041
489 HA ILE 63 HA ILE 63 -3.790 5.142 5.142
490 HB ILE 63 HB ILE 63 -3.525 4.527 4.527
491 1HG1 ILE 63 HG12 ILE 63 -2.326 6.788 6.788
492 2HG1 ILE 63 HG13 ILE 63 -1.858 5.952 5.952
493 1HG2 ILE 63 HG21 ILE 63 -2.216 3.591 3.591
494 2HG2 ILE 63 HG22 ILE 63 -1.544 3.233 3.233
495 3HG2 ILE 63 HG23 ILE 63 -3.170 2.655 2.655
496 1HD1 ILE 63 HD12 ILE 63 -0.825 5.172 5.172
497 2HD1 ILE 63 HD13 ILE 63 0.027 6.286 6.286
498 3HD1 ILE 63 HD11 ILE 63 -0.232 4.591 4.591
499 H TYR 64 HN TYR 64 -4.720 2.841 2.841
500 HA TYR 64 HA TYR 64 -7.508 3.167 3.167
501 1HB TYR 64 HB2 TYR 64 -6.104 1.767 1.767
502 2HB TYR 64 HB3 TYR 64 -7.667 1.178 1.178
503 HD1 TYR 64 HD1 TYR 64 -6.035 4.433 4.433
504 HD2 TYR 64 HD2 TYR 64 -9.552 2.001 2.001
505 HE1 TYR 64 HE1 TYR 64 -7.191 6.176 6.176
506 HE2 TYR 64 HE2 TYR 64 -10.696 3.753 3.753
507 HH TYR 64 HH TYR 64 -10.589 5.925 5.925
508 H THR 65 HN THR 65 -8.490 1.367 1.367
509 HA THR 65 HA THR 65 -7.056 -1.048 -1.048
510 HB THR 65 HB THR 65 -5.725 0.494 0.494
511 HG1 THR 65 HG1 THR 65 -6.391 -1.794 -1.794
512 1HG2 THR 65 HG23 THR 65 -8.498 1.121 1.121
513 2HG2 THR 65 HG21 THR 65 -7.153 1.054 1.054
514 3HG2 THR 65 HG22 THR 65 -7.101 2.207 2.207
515 H ALA 66 HN ALA 66 -8.248 -1.868 -1.868
516 HA ALA 66 HA ALA 66 -11.061 -1.816 -1.816
517 1HB ALA 66 HB1 ALA 66 -9.188 -3.907 -3.907
518 2HB ALA 66 HB2 ALA 66 -10.669 -3.924 -3.924
519 3HB ALA 66 HB3 ALA 66 -10.779 -4.051 -4.051
520 HA PRO 67 HA PRO 67 -12.004 0.139 0.139
521 1HB PRO 67 HB2 PRO 67 -14.662 -0.454 -0.454
522 2HB PRO 67 HB3 PRO 67 -14.052 0.828 0.828
523 1HG PRO 67 HG2 PRO 67 -15.074 -1.839 -1.839
524 2HG PRO 67 HG3 PRO 67 -14.867 -0.415 -0.415
525 1HD PRO 67 HD2 PRO 67 -13.172 -2.728 -2.728
526 2HD PRO 67 HD3 PRO 67 -12.903 -1.256 -1.256
527 H SER 68 HN SER 68 -13.964 -0.605 -0.605
528 HA SER 68 HA SER 68 -14.055 -1.729 -1.729
529 1HB SER 68 HB2 SER 68 -13.619 -3.846 -3.846
530 2HB SER 68 HB3 SER 68 -13.330 -4.347 -4.347
531 HG SER 68 HG SER 68 -15.665 -4.285 -4.285
532 H SER 69 HN SER 69 -12.571 -3.768 -3.768
533 HA SER 69 HA SER 69 -10.246 -2.348 -2.348
534 1HB SER 69 HB2 SER 69 -11.751 -4.088 -4.088
535 2HB SER 69 HB3 SER 69 -10.610 -5.256 -5.256
536 HG SER 69 HG SER 69 -9.260 -4.644 -4.644
537 H ALA 70 HN ALA 70 -9.891 -2.560 -2.560
538 HA ALA 70 HA ALA 70 -8.538 -3.252 -3.252
539 1HB ALA 70 HB2 ALA 70 -7.035 -3.204 -3.204
540 2HB ALA 70 HB3 ALA 70 -6.634 -4.774 -4.774
541 3HB ALA 70 HB1 ALA 70 -6.395 -3.272 -3.272
542 H VAL 71 HN VAL 71 -9.799 -4.673 -4.673
543 HA VAL 71 HA VAL 71 -9.807 -7.458 -7.458
544 HB VAL 71 HB VAL 71 -11.882 -7.657 -7.657
545 1HG1 VAL 71 HG12 VAL 71 -11.922 -5.628 -5.628
546 2HG1 VAL 71 HG13 VAL 71 -11.810 -4.622 -4.622
547 3HG1 VAL 71 HG11 VAL 71 -13.228 -5.667 -5.667
548 1HG2 VAL 71 HG23 VAL 71 -10.946 -5.899 -5.899
549 2HG2 VAL 71 HG21 VAL 71 -11.490 -7.595 -7.595
550 3HG2 VAL 71 HG22 VAL 71 -12.670 -6.286 -6.286
551 H CYS 72 HN CYS 72 -8.933 -5.219 -5.219
552 HA CYS 72 HA CYS 72 -7.445 -7.435 -7.435
553 1HB CYS 72 HB2 CYS 72 -9.060 -5.407 -5.407
554 2HB CYS 72 HB3 CYS 72 -7.982 -6.603 -6.603
555 H GLY 73 HN GLY 73 -6.959 -5.043 -5.043
556 1HA GLY 73 HA1 GLY 73 -4.580 -4.083 -4.083
557 2HA GLY 73 HA2 GLY 73 -5.796 -2.859 -2.859
558 H VAL 74 HN VAL 74 -4.238 -1.814 -1.814
559 HA VAL 74 HA VAL 74 -4.015 -3.241 -3.241
560 HB VAL 74 HB VAL 74 -2.245 -1.127 -1.127
561 1HG1 VAL 74 HG11 VAL 74 -2.126 -2.472 -2.472
562 2HG1 VAL 74 HG12 VAL 74 -0.770 -1.578 -1.578
563 3HG1 VAL 74 HG13 VAL 74 -2.292 -0.735 -0.735
564 1HG2 VAL 74 HG21 VAL 74 -2.222 -3.675 -3.675
565 2HG2 VAL 74 HG22 VAL 74 -0.709 -2.768 -2.768
566 3HG2 VAL 74 HG23 VAL 74 -1.295 -3.859 -3.859
567 H SER 75 HN SER 75 -5.902 -1.064 -1.064
568 HA SER 75 HA SER 75 -6.861 0.880 0.880
569 1HB SER 75 HB2 SER 75 -7.715 -1.344 -1.344
570 2HB SER 75 HB3 SER 75 -7.865 0.113 0.113
571 HG SER 75 HG SER 75 -9.666 -0.664 -0.664
572 H LEU 76 HN LEU 76 -4.986 2.290 2.290
573 HA LEU 76 HA LEU 76 -4.225 2.683 2.683
574 1HB LEU 76 HB2 LEU 76 -2.736 4.085 4.085
575 2HB LEU 76 HB3 LEU 76 -2.166 3.249 3.249
576 HG LEU 76 HG LEU 76 -3.042 1.153 1.153
577 1HD1 LEU 76 HD13 LEU 76 -2.997 3.290 3.290
578 2HD1 LEU 76 HD11 LEU 76 -1.468 2.428 2.428
579 3HD1 LEU 76 HD12 LEU 76 -3.017 1.557 1.557
580 1HD2 LEU 76 HD21 LEU 76 -0.568 2.219 2.219
581 2HD2 LEU 76 HD22 LEU 76 -1.005 0.533 0.533
582 3HD2 LEU 76 HD23 LEU 76 -0.319 1.568 1.568
583 H ASP 77 HN ASP 77 -4.689 4.571 4.571
584 HA ASP 77 HA ASP 77 -6.077 6.563 6.563
585 1HB ASP 77 HB2 ASP 77 -6.994 7.112 7.112
586 2HB ASP 77 HB3 ASP 77 -7.790 5.971 5.971
587 H VAL 78 HN VAL 78 -3.316 5.774 5.774
588 HA VAL 78 HA VAL 78 -1.573 6.977 6.977
589 HB VAL 78 HB VAL 78 -3.207 9.114 9.114
590 1HG1 VAL 78 HG13 VAL 78 -0.911 9.556 9.556
591 2HG1 VAL 78 HG11 VAL 78 -1.135 10.631 10.631
592 3HG1 VAL 78 HG12 VAL 78 -2.425 10.474 10.474
593 1HG2 VAL 78 HG22 VAL 78 -1.676 7.451 7.451
594 2HG2 VAL 78 HG23 VAL 78 -1.450 9.177 9.177
595 3HG2 VAL 78 HG21 VAL 78 -0.320 8.348 8.348
596 H GLY 79 HN GLY 79 -4.789 7.326 7.326
597 1HA GLY 79 HA1 GLY 79 -4.190 9.002 9.002
598 2HA GLY 79 HA2 GLY 79 -5.680 8.143 8.143
599 H GLY 80 HN GLY 80 -3.534 5.735 5.735
600 1HA GLY 80 HA1 GLY 80 -3.293 5.038 5.038
601 2HA GLY 80 HA2 GLY 80 -3.930 3.912 3.912
602 H LYS 81 HN LYS 81 -2.100 4.844 4.844
603 HA LYS 81 HA LYS 81 0.249 3.387 3.387
604 1HB LYS 81 HB2 LYS 81 0.509 3.755 3.755
605 2HB LYS 81 HB3 LYS 81 -0.086 2.318 2.318
606 1HG LYS 81 HG2 LYS 81 -1.903 4.656 4.656
607 2HG LYS 81 HG3 LYS 81 -1.609 3.315 3.315
608 1HD LYS 81 HD2 LYS 81 -2.974 1.907 1.907
609 2HD LYS 81 HD3 LYS 81 -2.314 2.404 2.404
610 1HE LYS 81 HE2 LYS 81 -4.017 3.881 3.881
611 2HE LYS 81 HE3 LYS 81 -3.905 4.552 4.552
612 1HZ LYS 81 HZ2 LYS 81 -4.996 1.891 1.891
613 2HZ LYS 81 HZ3 LYS 81 -5.926 3.097 3.097
614 3HZ LYS 81 HZ1 LYS 81 -5.441 3.128 3.128
615 H LYS 82 HN LYS 82 0.463 5.545 5.545
616 HA LYS 82 HA LYS 82 1.131 7.931 7.931
617 1HB LYS 82 HB2 LYS 82 3.672 7.762 7.762
618 2HB LYS 82 HB3 LYS 82 2.693 7.190 7.190
619 1HG LYS 82 HG2 LYS 82 2.952 4.932 4.932
620 2HG LYS 82 HG3 LYS 82 4.532 5.688 5.688
621 1HD LYS 82 HD2 LYS 82 5.014 4.890 4.890
622 2HD LYS 82 HD3 LYS 82 3.658 5.772 5.772
623 1HE LYS 82 HE2 LYS 82 2.231 3.927 3.927
624 2HE LYS 82 HE3 LYS 82 3.012 3.234 3.234
625 1HZ LYS 82 HZ1 LYS 82 4.966 3.078 3.078
626 2HZ LYS 82 HZ2 LYS 82 3.702 2.961 2.961
627 3HZ LYS 82 HZ3 LYS 82 3.861 1.892 1.892
628 H GLU 83 HN GLU 83 2.874 5.395 5.395
629 HA GLU 83 HA GLU 83 2.076 6.616 6.616
630 1HB GLU 83 HB2 GLU 83 4.891 6.808 6.808
631 2HB GLU 83 HB3 GLU 83 3.725 8.116 8.116
632 1HG GLU 83 HG2 GLU 83 4.463 7.099 7.099
633 2HG GLU 83 HG3 GLU 83 5.767 7.873 7.873
634 H TYR 84 HN TYR 84 3.246 5.490 5.490
635 HA TYR 84 HA TYR 84 4.473 2.965 2.965
636 1HB TYR 84 HB2 TYR 84 2.678 1.790 1.790
637 2HB TYR 84 HB3 TYR 84 2.033 2.489 2.489
638 HD1 TYR 84 HD2 TYR 84 2.681 3.589 3.589
639 HD2 TYR 84 HD1 TYR 84 0.009 3.594 3.594
640 HE1 TYR 84 HE2 TYR 84 0.972 4.890 4.890
641 HE2 TYR 84 HE1 TYR 84 -1.691 4.895 4.895
642 HH TYR 84 HH TYR 84 -2.198 5.135 5.135
643 H LEU 85 HN LEU 85 5.502 1.917 1.917
644 HA LEU 85 HA LEU 85 6.248 3.847 3.847
645 1HB LEU 85 HB2 LEU 85 7.858 2.075 2.075
646 2HB LEU 85 HB3 LEU 85 8.028 2.664 2.664
647 HG LEU 85 HG LEU 85 8.193 0.104 0.104
648 1HD1 LEU 85 HD11 LEU 85 7.900 1.543 1.543
649 2HD1 LEU 85 HD12 LEU 85 6.476 0.479 0.479
650 3HD1 LEU 85 HD13 LEU 85 8.104 -0.224 -0.224
651 1HD2 LEU 85 HD23 LEU 85 5.197 0.491 0.491
652 2HD2 LEU 85 HD21 LEU 85 6.102 -0.155 -0.155
653 3HD2 LEU 85 HD22 LEU 85 6.037 -1.074 -1.074
654 H ILE 86 HN ILE 86 3.584 1.985 1.985
655 HA ILE 86 HA ILE 86 2.582 0.450 0.450
656 HB ILE 86 HB ILE 86 2.041 3.275 3.275
657 1HG1 ILE 86 HG12 ILE 86 -0.235 2.550 2.550
658 2HG1 ILE 86 HG13 ILE 86 0.146 0.951 0.951
659 1HG2 ILE 86 HG21 ILE 86 1.757 1.776 1.776
660 2HG2 ILE 86 HG22 ILE 86 0.519 2.968 2.968
661 3HG2 ILE 86 HG23 ILE 86 2.218 3.470 3.470
662 1HD1 ILE 86 HD12 ILE 86 1.880 1.551 1.551
663 2HD1 ILE 86 HD13 ILE 86 0.180 1.817 1.817
664 3HD1 ILE 86 HD11 ILE 86 0.695 0.235 0.235
665 H ALA 87 HN ALA 87 3.759 -0.939 -0.939
666 HA ALA 87 HA ALA 87 4.724 0.188 0.188
667 1HB ALA 87 HB2 ALA 87 6.153 -1.335 -1.335
668 2HB ALA 87 HB3 ALA 87 6.386 -1.947 -1.947
669 3HB ALA 87 HB1 ALA 87 6.790 -0.258 -0.258
670 H GLY 88 HN GLY 88 3.307 -0.553 -0.553
671 1HA GLY 88 HA1 GLY 88 2.756 -3.442 -3.442
672 2HA GLY 88 HA2 GLY 88 1.420 -2.311 -2.311
673 H LYS 89 HN LYS 89 1.389 -3.853 -3.853
674 HA LYS 89 HA LYS 89 3.088 -3.415 -3.415
675 1HB LYS 89 HB2 LYS 89 1.130 -4.045 -4.045
676 2HB LYS 89 HB3 LYS 89 1.461 -5.147 -5.147
677 1HG LYS 89 HG2 LYS 89 -0.290 -3.276 -3.276
678 2HG LYS 89 HG3 LYS 89 -0.912 -3.458 -3.458
679 1HD LYS 89 HD2 LYS 89 -1.285 -5.796 -5.796
680 2HD LYS 89 HD3 LYS 89 -0.184 -5.919 -5.919
681 1HE LYS 89 HE2 LYS 89 -2.019 -5.767 -5.767
682 2HE LYS 89 HE3 LYS 89 -2.066 -4.066 -4.066
683 1HZ LYS 89 HZ2 LYS 89 -3.351 -4.875 -4.875
684 2HZ LYS 89 HZ3 LYS 89 -3.574 -6.262 -6.262
685 3HZ LYS 89 HZ1 LYS 89 -4.129 -4.850 -4.850
686 H ALA 90 HN ALA 90 0.548 -1.312 -1.312
687 HA ALA 90 HA ALA 90 0.368 0.913 0.913
688 1HB ALA 90 HB2 ALA 90 2.835 0.555 0.555
689 2HB ALA 90 HB3 ALA 90 1.930 1.119 1.119
690 3HB ALA 90 HB1 ALA 90 1.990 2.121 2.121
691 H GLU 91 HN GLU 91 -0.534 2.479 2.479
692 HA GLU 91 HA GLU 91 -2.032 0.852 0.852
693 1HB GLU 91 HB2 GLU 91 -3.299 1.538 1.538
694 2HB GLU 91 HB3 GLU 91 -3.438 3.101 3.101
695 1HG GLU 91 HG2 GLU 91 -5.410 1.622 1.622
696 2HG GLU 91 HG3 GLU 91 -4.588 2.117 2.117
697 H GLY 92 HN GLY 92 -0.954 4.105 4.105
698 1HA GLY 92 HA1 GLY 92 -0.448 4.861 4.861
699 2HA GLY 92 HA2 GLY 92 -1.672 5.800 5.800
700 H ASP 93 HN ASP 93 -0.695 7.754 7.754
701 HA ASP 93 HA ASP 93 1.919 7.592 7.592
702 1HB ASP 93 HB2 ASP 93 1.075 9.086 9.086
703 2HB ASP 93 HB3 ASP 93 1.018 10.256 10.256
704 H GLY 94 HN GLY 94 -1.379 9.044 9.044
705 1HA GLY 94 HA1 GLY 94 -0.887 10.216 10.216
706 2HA GLY 94 HA2 GLY 94 -2.133 10.701 10.701
707 H LYS 95 HN LYS 95 -1.634 7.264 7.264
708 HA LYS 95 HA LYS 95 -3.194 6.642 6.642
709 1HB LYS 95 HB2 LYS 95 -5.319 6.098 6.098
710 2HB LYS 95 HB3 LYS 95 -4.967 7.770 7.770
711 1HG LYS 95 HG2 LYS 95 -4.246 5.535 5.535
712 2HG LYS 95 HG3 LYS 95 -5.864 6.207 6.207
713 1HD LYS 95 HD2 LYS 95 -5.175 8.296 8.296
714 2HD LYS 95 HD3 LYS 95 -3.567 8.150 8.150
715 1HE LYS 95 HE2 LYS 95 -2.790 7.434 7.434
716 2HE LYS 95 HE3 LYS 95 -3.824 6.024 6.024
717 1HZ LYS 95 HZ1 LYS 95 -5.207 8.408 8.408
718 2HZ LYS 95 HZ2 LYS 95 -4.065 7.958 7.958
719 3HZ LYS 95 HZ3 LYS 95 -5.259 6.921 6.921
720 H MET 96 HN MET 96 -2.836 4.515 4.515
721 HA MET 96 HA MET 96 -2.028 2.820 2.820
722 1HB MET 96 HB2 MET 96 -0.402 1.876 1.876
723 2HB MET 96 HB3 MET 96 0.118 3.118 3.118
724 1HG MET 96 HG2 MET 96 0.294 4.641 4.641
725 2HG MET 96 HG3 MET 96 -1.367 4.369 4.369
726 1HE MET 96 HE1 MET 96 1.968 4.407 4.407
727 2HE MET 96 HE2 MET 96 1.508 4.578 4.578
728 3HE MET 96 HE3 MET 96 2.442 3.160 3.160
729 H HIS 97 HN HIS 97 -1.512 0.454 0.454
730 HA HIS 97 HA HIS 97 -4.030 0.035 0.035
731 1HB HIS 97 HB2 HIS 97 -2.922 -1.318 -1.318
732 2HB HIS 97 HB3 HIS 97 -3.422 -2.418 -2.418
733 HD1 HIS 97 HD1 HIS 97 -5.317 -3.148 -3.148
734 HD2 HIS 97 HD2 HIS 97 -5.670 0.715 0.715
735 HE1 HIS 97 HE1 HIS 97 -7.701 -2.384 -2.384
736 H ILE 98 HN ILE 98 -3.853 -0.911 -0.911
737 HA ILE 98 HA ILE 98 -1.418 -2.384 -2.384
738 HB ILE 98 HB ILE 98 -0.975 -1.135 -1.135
739 1HG1 ILE 98 HG12 ILE 98 -3.399 0.480 0.480
740 2HG1 ILE 98 HG13 ILE 98 -3.108 -0.378 -0.378
741 1HG2 ILE 98 HG22 ILE 98 -0.195 -0.424 -0.424
742 2HG2 ILE 98 HG23 ILE 98 -1.146 1.033 1.033
743 3HG2 ILE 98 HG21 ILE 98 0.205 0.551 0.551
744 1HD1 ILE 98 HD11 ILE 98 -1.078 1.700 1.700
745 2HD1 ILE 98 HD12 ILE 98 -2.697 2.295 2.295
746 3HD1 ILE 98 HD13 ILE 98 -1.777 1.293 1.293
747 H THR 99 HN THR 99 -1.832 -4.172 -4.172
748 HA THR 99 HA THR 99 -4.404 -4.237 -4.237
749 HB THR 99 HB THR 99 -4.490 -6.690 -6.690
750 HG1 THR 99 HG1 THR 99 -2.839 -7.123 -7.123
751 1HG2 THR 99 HG23 THR 99 -5.613 -4.407 -4.407
752 2HG2 THR 99 HG21 THR 99 -4.596 -4.930 -4.930
753 3HG2 THR 99 HG22 THR 99 -5.838 -6.024 -6.024
754 H LEU 100 HN LEU 100 -4.499 -6.049 -6.049
755 HA LEU 100 HA LEU 100 -2.267 -5.829 -5.829
756 1HB LEU 100 HB2 LEU 100 -3.531 -6.911 -6.911
757 2HB LEU 100 HB3 LEU 100 -4.786 -6.322 -6.322
758 HG LEU 100 HG LEU 100 -3.786 -9.007 -9.007
759 1HD1 LEU 100 HD13 LEU 100 -5.113 -8.514 -8.514
760 2HD1 LEU 100 HD11 LEU 100 -5.086 -10.095 -10.095
761 3HD1 LEU 100 HD12 LEU 100 -3.561 -9.320 -9.320
762 1HD2 LEU 100 HD22 LEU 100 -6.456 -7.637 -7.637
763 2HD2 LEU 100 HD23 LEU 100 -5.667 -8.297 -8.297
764 3HD2 LEU 100 HD21 LEU 100 -6.330 -9.398 -9.398
765 H CYS 101 HN CYS 101 -3.138 -8.056 -8.056
766 HA CYS 101 HA CYS 101 -1.288 -10.061 -10.061
767 1HB CYS 101 HB2 CYS 101 -1.957 -10.206 -10.206
768 2HB CYS 101 HB3 CYS 101 -2.338 -11.313 -11.313
769 H ASP 102 HN ASP 102 -1.310 -7.090 -7.090
770 HA ASP 102 HA ASP 102 1.111 -7.715 -7.715
771 1HB ASP 102 HB2 ASP 102 -0.833 -6.086 -6.086
772 2HB ASP 102 HB3 ASP 102 -0.054 -4.931 -4.931
773 H PHE 103 HN PHE 103 2.980 -5.920 -5.920
774 HA PHE 103 HA PHE 103 3.867 -6.001 -6.001
775 1HB PHE 103 HB2 PHE 103 5.475 -6.067 -6.067
776 2HB PHE 103 HB3 PHE 103 4.709 -4.726 -4.726
777 HD1 PHE 103 HD2 PHE 103 5.219 -4.391 -4.391
778 HD2 PHE 103 HD1 PHE 103 6.955 -3.716 -3.716
779 HE1 PHE 103 HE2 PHE 103 6.872 -2.809 -2.809
780 HE2 PHE 103 HE1 PHE 103 8.609 -2.134 -2.134
781 HZ PHE 103 HZ PHE 103 8.547 -1.700 -1.700
782 H ILE 104 HN ILE 104 3.291 -4.662 -4.662
783 HA ILE 104 HA ILE 104 3.268 -1.856 -1.856
784 HB ILE 104 HB ILE 104 0.808 -1.700 -1.700
785 1HG1 ILE 104 HG12 ILE 104 0.699 -4.345 -4.345
786 2HG1 ILE 104 HG13 ILE 104 0.513 -4.156 -4.156
787 1HG2 ILE 104 HG22 ILE 104 2.069 -1.255 -1.255
788 2HG2 ILE 104 HG23 ILE 104 0.785 -2.387 -2.387
789 3HG2 ILE 104 HG21 ILE 104 0.366 -0.868 -0.868
790 1HD1 ILE 104 HD12 ILE 104 -1.377 -2.447 -2.447
791 2HD1 ILE 104 HD13 ILE 104 -1.319 -3.166 -3.166
792 3HD1 ILE 104 HD11 ILE 104 -1.717 -4.180 -4.180
793 H VAL 105 HN VAL 105 3.728 -0.876 -0.876
794 HA VAL 105 HA VAL 105 3.014 -2.202 -2.202
795 HB VAL 105 HB VAL 105 5.690 -1.763 -1.763
796 1HG1 VAL 105 HG11 VAL 105 3.854 -4.028 -4.028
797 2HG1 VAL 105 HG12 VAL 105 5.537 -4.476 -4.476
798 3HG1 VAL 105 HG13 VAL 105 5.142 -3.707 -3.707
799 1HG2 VAL 105 HG22 VAL 105 5.349 -2.894 -2.894
800 2HG2 VAL 105 HG23 VAL 105 6.307 -1.481 -1.481
801 3HG2 VAL 105 HG21 VAL 105 6.819 -3.120 -3.120
802 HA PRO 106 HA PRO 106 3.041 1.921 1.921
803 1HB PRO 106 HB2 PRO 106 3.394 1.706 1.706
804 2HB PRO 106 HB3 PRO 106 1.855 1.426 1.426
805 1HG PRO 106 HG2 PRO 106 3.751 -0.548 -0.548
806 2HG PRO 106 HG3 PRO 106 2.056 -0.756 -0.756
807 1HD PRO 106 HD2 PRO 106 4.303 -1.683 -1.683
808 2HD PRO 106 HD3 PRO 106 2.614 -1.788 -1.788
809 H TRP 107 HN TRP 107 5.750 0.316 0.316
810 HA TRP 107 HA TRP 107 7.842 1.035 1.035
811 1HB TRP 107 HB2 TRP 107 6.738 3.270 3.270
812 2HB TRP 107 HB3 TRP 107 7.074 3.710 3.710
813 HD1 TRP 107 HD1 TRP 107 9.470 1.932 1.932
814 HE1 TRP 107 HE1 TRP 107 11.732 3.272 3.272
815 HE3 TRP 107 HE3 TRP 107 8.118 5.755 5.755
816 HZ2 TRP 107 HZ2 TRP 107 12.681 5.725 5.725
817 HZ3 TRP 107 HZ3 TRP 107 9.770 7.583 7.583
818 HH2 TRP 107 HH2 TRP 107 11.985 7.609 7.609
819 H ASP 108 HN ASP 108 6.461 2.565 2.565
820 HA ASP 108 HA ASP 108 8.749 2.001 2.001
821 1HB ASP 108 HB2 ASP 108 7.054 3.768 3.768
822 2HB ASP 108 HB3 ASP 108 5.881 2.520 2.520
823 H THR 109 HN THR 109 8.335 -0.421 -0.421
824 HA THR 109 HA THR 109 7.762 -2.140 -2.140
825 HB THR 109 HB THR 109 5.992 -3.408 -3.408
826 HG1 THR 109 HG1 THR 109 6.142 -2.316 -2.316
827 1HG2 THR 109 HG22 THR 109 5.442 -1.840 -1.840
828 2HG2 THR 109 HG23 THR 109 5.144 -0.578 -0.578
829 3HG2 THR 109 HG21 THR 109 4.153 -2.057 -2.057
830 H LEU 110 HN LEU 110 8.042 -2.095 -2.095
831 HA LEU 110 HA LEU 110 8.965 -3.962 -3.962
832 1HB LEU 110 HB2 LEU 110 11.204 -2.134 -2.134
833 2HB LEU 110 HB3 LEU 110 11.206 -3.173 -3.173
834 HG LEU 110 HG LEU 110 9.289 -0.866 -0.866
835 1HD1 LEU 110 HD12 LEU 110 11.791 -0.323 -0.323
836 2HD1 LEU 110 HD13 LEU 110 11.583 -0.875 -0.875
837 3HD1 LEU 110 HD11 LEU 110 10.625 0.495 0.495
838 1HD2 LEU 110 HD22 LEU 110 9.201 -3.070 -3.070
839 2HD2 LEU 110 HD23 LEU 110 8.140 -1.641 -1.641
840 3HD2 LEU 110 HD21 LEU 110 9.606 -1.620 -1.620
841 H SER 111 HN SER 111 11.997 -3.599 -3.599
842 HA SER 111 HA SER 111 12.129 -5.005 -5.005
843 1HB SER 111 HB2 SER 111 11.197 -6.900 -6.900
844 2HB SER 111 HB3 SER 111 12.363 -7.507 -7.507
845 HG SER 111 HG SER 111 10.382 -7.927 -7.927
846 H THR 112 HN THR 112 13.124 -5.282 -5.282
847 HA THR 112 HA THR 112 15.602 -4.350 -4.350
848 HB THR 112 HB THR 112 15.455 -7.003 -7.003
849 HG1 THR 112 HG1 THR 112 16.105 -4.828 -4.828
850 1HG2 THR 112 HG23 THR 112 17.649 -6.240 -6.240
851 2HG2 THR 112 HG21 THR 112 17.928 -7.353 -7.353
852 3HG2 THR 112 HG22 THR 112 16.760 -7.779 -7.779
853 H THR 113 HN THR 113 14.469 -7.664 -7.664
854 HA THR 113 HA THR 113 15.655 -7.683 -7.683
855 HB THR 113 HB THR 113 13.111 -8.940 -8.940
856 HG1 THR 113 HG1 THR 113 15.812 -9.805 -9.805
857 1HG2 THR 113 HG22 THR 113 13.506 -8.754 -8.754
858 2HG2 THR 113 HG23 THR 113 14.509 -10.176 -10.176
859 3HG2 THR 113 HG21 THR 113 12.776 -10.176 -10.176
860 H GLN 114 HN GLN 114 12.840 -5.857 -5.857
861 HA GLN 114 HA GLN 114 12.003 -5.357 -5.357
862 1HB GLN 114 HB2 GLN 114 11.065 -4.584 -4.584
863 2HB GLN 114 HB3 GLN 114 10.564 -3.574 -3.574
864 1HG GLN 114 HG2 GLN 114 8.851 -5.117 -5.117
865 2HG GLN 114 HG3 GLN 114 10.010 -5.974 -5.974
866 1HE2 GLN 114 HE22 GLN 114 11.067 -8.197 -8.197
867 2HE2 GLN 114 HE21 GLN 114 11.751 -7.130 -7.130
868 H LYS 115 HN LYS 115 13.985 -3.817 -3.817
869 HA LYS 115 HA LYS 115 14.062 -1.276 -1.276
870 1HB LYS 115 HB2 LYS 115 15.116 -2.533 -2.533
871 2HB LYS 115 HB3 LYS 115 16.262 -1.435 -1.435
872 1HG LYS 115 HG2 LYS 115 14.909 0.432 0.432
873 2HG LYS 115 HG3 LYS 115 13.421 -0.480 -0.480
874 1HD LYS 115 HD2 LYS 115 15.272 -0.343 -0.343
875 2HD LYS 115 HD3 LYS 115 13.604 0.185 0.185
876 1HE LYS 115 HE2 LYS 115 13.068 -2.324 -2.324
877 2HE LYS 115 HE3 LYS 115 14.671 -2.660 -2.660
878 1HZ LYS 115 HZ1 LYS 115 13.882 -1.294 -1.294
879 2HZ LYS 115 HZ2 LYS 115 12.374 -1.561 -1.561
880 3HZ LYS 115 HZ3 LYS 115 13.327 -2.822 -2.822
881 H LYS 116 HN LYS 116 16.120 -4.229 -4.229
882 HA LYS 116 HA LYS 116 18.237 -3.127 -3.127
883 1HB LYS 116 HB2 LYS 116 19.054 -5.321 -5.321
884 2HB LYS 116 HB3 LYS 116 18.180 -5.271 -5.271
885 1HG LYS 116 HG2 LYS 116 17.038 -7.093 -7.093
886 2HG LYS 116 HG3 LYS 116 16.187 -6.005 -6.005
887 1HD LYS 116 HD2 LYS 116 18.871 -6.911 -6.911
888 2HD LYS 116 HD3 LYS 116 17.655 -8.168 -8.168
889 1HE LYS 116 HE2 LYS 116 16.741 -7.446 -7.446
890 2HE LYS 116 HE3 LYS 116 16.351 -5.916 -5.916
891 1HZ LYS 116 HZ3 LYS 116 19.024 -5.803 -5.803
892 2HZ LYS 116 HZ1 LYS 116 18.374 -6.488 -6.488
893 3HZ LYS 116 HZ2 LYS 116 17.835 -5.034 -5.034
894 H SER 117 HN SER 117 14.985 -3.974 -3.974
895 HA SER 117 HA SER 117 15.723 -4.268 -4.268
896 1HB SER 117 HB2 SER 117 13.674 -5.327 -5.327
897 2HB SER 117 HB3 SER 117 12.843 -4.125 -4.125
898 HG SER 117 HG SER 117 13.548 -6.577 -6.577
899 H LEU 118 HN LEU 118 15.011 -1.787 -1.787
900 HA LEU 118 HA LEU 118 13.483 -0.102 -0.102
901 1HB LEU 118 HB2 LEU 118 14.944 0.261 0.261
902 2HB LEU 118 HB3 LEU 118 14.240 1.625 1.625
903 HG LEU 118 HG LEU 118 12.732 -0.813 -0.813
904 1HD1 LEU 118 HD11 LEU 118 13.537 1.637 1.637
905 2HD1 LEU 118 HD12 LEU 118 11.764 1.498 1.498
906 3HD1 LEU 118 HD13 LEU 118 12.733 0.194 0.194
907 1HD2 LEU 118 HD21 LEU 118 11.888 1.582 1.582
908 2HD2 LEU 118 HD22 LEU 118 11.496 -0.139 -0.139
909 3HD2 LEU 118 HD23 LEU 118 10.740 0.776 0.776
910 H ASN 119 HN ASN 119 16.912 -0.819 -0.819
911 HA ASN 119 HA ASN 119 17.625 1.501 1.501
912 1HB ASN 119 HB2 ASN 119 19.945 0.937 0.937
913 2HB ASN 119 HB3 ASN 119 18.963 0.886 0.886
914 1HD2 ASN 119 HD22 ASN 119 19.473 -2.465 -2.465
915 2HD2 ASN 119 HD21 ASN 119 18.763 -0.938 -0.938
916 H HIS 120 HN HIS 120 16.296 -1.337 -1.337
917 HA HIS 120 HA HIS 120 18.265 -2.324 -2.324
918 1HB HIS 120 HB2 HIS 120 16.049 -3.402 -3.402
919 2HB HIS 120 HB3 HIS 120 15.673 -3.539 -3.539
920 HD1 HIS 120 HD1 HIS 120 16.198 -5.900 -5.900
921 HD2 HIS 120 HD2 HIS 120 19.184 -4.210 -4.210
922 HE1 HIS 120 HE1 HIS 120 18.056 -7.640 -7.640
923 H ARG 121 HN ARG 121 16.503 0.382 0.382
924 HA ARG 121 HA ARG 121 15.818 1.735 1.735
925 1HB ARG 121 HB2 ARG 121 17.590 -0.027 -0.027
926 2HB ARG 121 HB3 ARG 121 16.230 0.333 0.333
927 1HG ARG 121 HG2 ARG 121 18.030 2.365 2.365
928 2HG ARG 121 HG3 ARG 121 17.980 2.028 2.028
929 1HD ARG 121 HD2 ARG 121 15.330 2.734 2.734
930 2HD ARG 121 HD3 ARG 121 16.517 4.016 4.016
931 HE ARG 121 HE ARG 121 16.450 2.779 2.779
932 1HH1 ARG 121 HH22 ARG 121 15.026 5.250 5.250
933 2HH1 ARG 121 HH21 ARG 121 14.465 6.213 6.213
934 1HH2 ARG 121 HH12 ARG 121 15.711 4.049 4.049
935 2HH2 ARG 121 HH11 ARG 121 14.858 5.526 5.526
936 H TYR 122 HN TYR 122 15.243 -1.527 -1.527
937 HA TYR 122 HA TYR 122 12.511 -1.593 -1.593
938 1HB TYR 122 HB2 TYR 122 11.578 -0.688 -0.688
939 2HB TYR 122 HB3 TYR 122 12.954 0.376 0.376
940 HD1 TYR 122 HD1 TYR 122 15.244 -0.726 -0.726
941 HD2 TYR 122 HD2 TYR 122 11.235 -1.439 -1.439
942 HE1 TYR 122 HE1 TYR 122 16.105 -1.378 -1.378
943 HE2 TYR 122 HE2 TYR 122 12.108 -2.088 -2.088
944 HH TYR 122 HH TYR 122 15.048 -2.998 -2.998
945 H GLN 123 HN GLN 123 12.926 -3.781 -3.781
946 HA GLN 123 HA GLN 123 13.287 -5.889 -5.889
947 1HB GLN 123 HB2 GLN 123 11.293 -5.715 -5.715
948 2HB GLN 123 HB3 GLN 123 12.215 -5.106 -5.106
949 1HG GLN 123 HG2 GLN 123 13.467 -7.559 -7.559
950 2HG GLN 123 HG3 GLN 123 11.745 -7.874 -7.874
951 1HE2 GLN 123 HE22 GLN 123 11.607 -8.449 -8.449
952 2HE2 GLN 123 HE21 GLN 123 11.257 -8.931 -8.931
953 H MET 124 HN MET 124 15.672 -4.801 -4.801
954 HA MET 124 HA MET 124 17.147 -4.948 -4.948
955 1HB MET 124 HB2 MET 124 17.511 -4.130 -4.130
956 2HB MET 124 HB3 MET 124 18.827 -5.212 -5.212
957 1HG MET 124 HG2 MET 124 18.122 -3.079 -3.079
958 2HG MET 124 HG3 MET 124 18.919 -2.560 -2.560
959 1HE MET 124 HE2 MET 124 19.042 -4.473 -4.473
960 2HE MET 124 HE3 MET 124 19.869 -2.903 -2.903
961 3HE MET 124 HE1 MET 124 20.785 -4.412 -4.412
962 H GLY 125 HN GLY 125 15.936 -7.313 -7.313
963 1HA GLY 125 HA1 GLY 125 16.234 -9.534 -9.534
964 2HA GLY 125 HA2 GLY 125 17.955 -9.203 -9.203
965 H CYS 126 HN CYS 126 15.842 -8.280 -8.280
966 HA CYS 126 HA CYS 126 17.478 -9.543 -9.543
967 1HB CYS 126 HB2 CYS 126 16.116 -8.662 -8.662
968 2HB CYS 126 HB3 CYS 126 15.716 -7.625 -7.625
969 H GLU 127 HN GLU 127 15.850 -11.015 -11.015
970 HA GLU 127 HA GLU 127 14.200 -12.857 -12.857
971 1HB GLU 127 HB2 GLU 127 16.324 -13.551 -13.551
972 2HB GLU 127 HB3 GLU 127 17.028 -13.930 -13.930
973 1HG GLU 127 HG2 GLU 127 16.179 -16.009 -16.009
974 2HG GLU 127 HG3 GLU 127 15.057 -15.518 -15.518
Start of MODEL 19
1 H CYS 1 HN CYS 1 -8.732 -8.464 -8.464
2 HA CYS 1 HA CYS 1 -10.401 -9.880 -9.880
3 1HB CYS 1 HB2 CYS 1 -8.963 -11.411 -11.411
4 2HB CYS 1 HB3 CYS 1 -10.657 -10.974 -10.974
5 H SER 2 HN SER 2 -8.761 -10.510 -10.510
6 HA SER 2 HA SER 2 -8.453 -12.116 -12.116
7 1HB SER 2 HB2 SER 2 -9.117 -14.521 -14.521
8 2HB SER 2 HB3 SER 2 -9.874 -13.880 -13.880
9 HG SER 2 HG SER 2 -10.876 -13.896 -13.896
10 H CYS 3 HN CYS 3 -6.862 -11.651 -11.651
11 HA CYS 3 HA CYS 3 -5.303 -13.896 -13.896
12 1HB CYS 3 HB2 CYS 3 -5.488 -11.353 -11.353
13 2HB CYS 3 HB3 CYS 3 -3.871 -11.385 -11.385
14 H SER 4 HN SER 4 -2.970 -14.208 -14.208
15 HA SER 4 HA SER 4 -2.624 -13.286 -13.286
16 1HB SER 4 HB2 SER 4 -1.219 -15.218 -15.218
17 2HB SER 4 HB3 SER 4 -2.665 -15.767 -15.767
18 HG SER 4 HG SER 4 -0.401 -16.467 -16.467
19 HA PRO 5 HA PRO 5 0.538 -10.801 -10.801
20 1HB PRO 5 HB2 PRO 5 0.837 -9.055 -9.055
21 2HB PRO 5 HB3 PRO 5 -0.340 -8.830 -8.830
22 1HG PRO 5 HG2 PRO 5 -0.776 -9.719 -9.719
23 2HG PRO 5 HG3 PRO 5 -1.942 -9.087 -9.087
24 1HD PRO 5 HD2 PRO 5 -1.590 -11.833 -11.833
25 2HD PRO 5 HD3 PRO 5 -2.675 -11.214 -11.214
26 H VAL 6 HN VAL 6 2.614 -11.327 -11.327
27 HA VAL 6 HA VAL 6 4.122 -11.757 -11.757
28 HB VAL 6 HB VAL 6 2.990 -13.934 -13.934
29 1HG1 VAL 6 HG12 VAL 6 3.996 -13.366 -13.366
30 2HG1 VAL 6 HG13 VAL 6 4.710 -14.889 -14.889
31 3HG1 VAL 6 HG11 VAL 6 2.942 -14.696 -14.696
32 1HG2 VAL 6 HG23 VAL 6 5.878 -13.454 -13.454
33 2HG2 VAL 6 HG21 VAL 6 4.752 -14.467 -14.467
34 3HG2 VAL 6 HG22 VAL 6 5.466 -15.090 -15.090
35 H HIS 7 HN HIS 7 5.898 -13.402 -13.402
36 HA HIS 7 HA HIS 7 7.795 -12.810 -12.810
37 1HB HIS 7 HB2 HIS 7 7.212 -11.268 -11.268
38 2HB HIS 7 HB3 HIS 7 6.770 -12.963 -12.963
39 HD1 HIS 7 HD1 HIS 7 4.374 -13.449 -13.449
40 HD2 HIS 7 HD2 HIS 7 4.921 -9.539 -9.539
41 HE1 HIS 7 HE1 HIS 7 2.089 -12.320 -12.320
42 HA PRO 8 HA PRO 8 8.530 -8.913 -8.913
43 1HB PRO 8 HB2 PRO 8 10.822 -9.664 -9.664
44 2HB PRO 8 HB3 PRO 8 9.230 -9.806 -9.806
45 1HG PRO 8 HG2 PRO 8 10.955 -11.931 -11.931
46 2HG PRO 8 HG3 PRO 8 9.587 -12.084 -12.084
47 1HD PRO 8 HD2 PRO 8 9.621 -12.644 -12.644
48 2HD PRO 8 HD3 PRO 8 8.226 -12.685 -12.685
49 H GLN 9 HN GLN 9 9.803 -10.516 -10.516
50 HA GLN 9 HA GLN 9 11.513 -8.232 -8.232
51 1HB GLN 9 HB2 GLN 9 13.029 -10.014 -10.014
52 2HB GLN 9 HB3 GLN 9 12.285 -11.157 -11.157
53 1HG GLN 9 HG2 GLN 9 13.689 -10.500 -10.500
54 2HG GLN 9 HG3 GLN 9 13.044 -8.873 -8.873
55 1HE2 GLN 9 HE22 GLN 9 15.491 -7.910 -7.910
56 2HE2 GLN 9 HE21 GLN 9 13.768 -8.011 -8.011
57 H GLN 10 HN GLN 10 9.756 -11.136 -11.136
58 HA GLN 10 HA GLN 10 9.951 -10.473 -10.473
59 1HB GLN 10 HB2 GLN 10 9.005 -12.516 -12.516
60 2HB GLN 10 HB3 GLN 10 8.722 -12.496 -12.496
61 1HG GLN 10 HG2 GLN 10 6.522 -12.673 -12.673
62 2HG GLN 10 HG3 GLN 10 6.651 -10.926 -10.926
63 1HE2 GLN 10 HE22 GLN 10 7.612 -11.369 -11.369
64 2HE2 GLN 10 HE21 GLN 10 8.576 -11.106 -11.106
65 H ALA 11 HN ALA 11 8.440 -8.777 -8.777
66 HA ALA 11 HA ALA 11 6.141 -7.915 -7.915
67 1HB ALA 11 HB2 ALA 11 7.131 -7.804 -7.804
68 2HB ALA 11 HB3 ALA 11 6.505 -6.228 -6.228
69 3HB ALA 11 HB1 ALA 11 5.465 -7.670 -7.670
70 H PHE 12 HN PHE 12 9.454 -6.827 -6.827
71 HA PHE 12 HA PHE 12 8.955 -4.267 -4.267
72 1HB PHE 12 HB2 PHE 12 11.400 -5.649 -5.649
73 2HB PHE 12 HB3 PHE 12 11.421 -3.991 -3.991
74 HD1 PHE 12 HD1 PHE 12 8.939 -5.913 -5.913
75 HD2 PHE 12 HD2 PHE 12 11.548 -2.573 -2.573
76 HE1 PHE 12 HE1 PHE 12 8.127 -5.131 -5.131
77 HE2 PHE 12 HE2 PHE 12 10.736 -1.791 -1.791
78 HZ PHE 12 HZ PHE 12 9.035 -3.079 -3.079
79 H CYS 13 HN CYS 13 9.343 -7.286 -7.286
80 HA CYS 13 HA CYS 13 11.167 -6.379 -6.379
81 1HB CYS 13 HB2 CYS 13 10.764 -9.028 -9.028
82 2HB CYS 13 HB3 CYS 13 11.141 -9.015 -9.015
83 H ASN 14 HN ASN 14 7.935 -6.934 -6.934
84 HA ASN 14 HA ASN 14 7.197 -7.703 -7.703
85 1HB ASN 14 HB2 ASN 14 6.239 -8.488 -8.488
86 2HB ASN 14 HB3 ASN 14 4.970 -7.476 -7.476
87 1HD2 ASN 14 HD22 ASN 14 6.159 -10.853 -10.853
88 2HD2 ASN 14 HD21 ASN 14 7.292 -9.893 -9.893
89 H ALA 15 HN ALA 15 6.740 -5.301 -5.301
90 HA ALA 15 HA ALA 15 4.744 -3.755 -3.755
91 1HB ALA 15 HB1 ALA 15 7.138 -3.014 -3.014
92 2HB ALA 15 HB2 ALA 15 5.751 -1.941 -1.941
93 3HB ALA 15 HB3 ALA 15 5.513 -3.480 -3.480
94 H ASP 16 HN ASP 16 5.197 -1.343 -1.343
95 HA ASP 16 HA ASP 16 7.509 -1.190 -1.190
96 1HB ASP 16 HB2 ASP 16 4.712 -1.592 -1.592
97 2HB ASP 16 HB3 ASP 16 5.641 -0.354 -0.354
98 H VAL 17 HN VAL 17 5.883 0.103 0.103
99 HA VAL 17 HA VAL 17 6.482 2.788 2.788
100 HB VAL 17 HB VAL 17 4.363 2.499 2.499
101 1HG1 VAL 17 HG12 VAL 17 3.475 0.819 0.819
102 2HG1 VAL 17 HG13 VAL 17 2.921 2.272 2.272
103 3HG1 VAL 17 HG11 VAL 17 2.328 1.935 1.935
104 1HG2 VAL 17 HG21 VAL 17 5.108 4.676 4.676
105 2HG2 VAL 17 HG22 VAL 17 3.376 4.540 4.540
106 3HG2 VAL 17 HG23 VAL 17 3.935 4.323 4.323
107 H VAL 18 HN VAL 18 7.805 2.396 2.396
108 HA VAL 18 HA VAL 18 6.312 1.964 1.964
109 HB VAL 18 HB VAL 18 9.274 2.223 2.223
110 1HG1 VAL 18 HG13 VAL 18 7.186 0.985 0.985
111 2HG1 VAL 18 HG11 VAL 18 8.582 -0.079 -0.079
112 3HG1 VAL 18 HG12 VAL 18 8.824 1.527 1.527
113 1HG2 VAL 18 HG22 VAL 18 7.960 0.568 0.568
114 2HG2 VAL 18 HG23 VAL 18 9.688 0.587 0.587
115 3HG2 VAL 18 HG21 VAL 18 8.574 -0.507 -0.507
116 H ILE 19 HN ILE 19 5.647 3.694 3.694
117 HA ILE 19 HA ILE 19 7.396 6.012 6.012
118 HB ILE 19 HB ILE 19 5.657 7.569 7.569
119 1HG1 ILE 19 HG12 ILE 19 3.915 5.142 5.142
120 2HG1 ILE 19 HG13 ILE 19 3.620 6.745 6.745
121 1HG2 ILE 19 HG21 ILE 19 7.084 6.342 6.342
122 2HG2 ILE 19 HG22 ILE 19 5.542 5.579 5.579
123 3HG2 ILE 19 HG23 ILE 19 5.710 7.349 7.349
124 1HD1 ILE 19 HD13 ILE 19 3.663 7.512 7.512
125 2HD1 ILE 19 HD11 ILE 19 3.397 5.785 5.785
126 3HD1 ILE 19 HD12 ILE 19 2.215 6.692 6.692
127 H ARG 20 HN ARG 20 7.626 6.650 6.650
128 HA ARG 20 HA ARG 20 6.064 5.332 5.332
129 1HB ARG 20 HB2 ARG 20 7.902 7.686 7.686
130 2HB ARG 20 HB3 ARG 20 7.571 6.299 6.299
131 1HG ARG 20 HG2 ARG 20 8.648 4.885 4.885
132 2HG ARG 20 HG3 ARG 20 9.276 6.415 6.415
133 1HD ARG 20 HD2 ARG 20 9.931 4.940 4.940
134 2HD ARG 20 HD3 ARG 20 11.022 5.677 5.677
135 HE ARG 20 HE ARG 20 9.250 7.545 7.545
136 1HH1 ARG 20 HH22 ARG 20 12.425 6.046 6.046
137 2HH1 ARG 20 HH21 ARG 20 13.204 7.248 7.248
138 1HH2 ARG 20 HH12 ARG 20 10.277 9.131 9.131
139 2HH2 ARG 20 HH11 ARG 20 11.974 9.014 9.014
140 H THR 21 HN THR 21 4.395 6.910 6.910
141 HA THR 21 HA THR 21 3.871 9.478 9.478
142 HB THR 21 HB THR 21 3.116 8.746 8.746
143 HG1 THR 21 HG1 THR 21 1.302 9.934 9.934
144 1HG2 THR 21 HG21 THR 21 2.685 6.279 6.279
145 2HG2 THR 21 HG22 THR 21 1.086 6.910 6.910
146 3HG2 THR 21 HG23 THR 21 1.603 6.954 6.954
147 H LYS 22 HN LYS 22 1.548 10.009 10.009
148 HA LYS 22 HA LYS 22 1.047 8.149 8.149
149 1HB LYS 22 HB2 LYS 22 0.777 10.025 10.025
150 2HB LYS 22 HB3 LYS 22 2.381 10.043 10.043
151 1HG LYS 22 HG2 LYS 22 1.763 11.803 11.803
152 2HG LYS 22 HG3 LYS 22 0.069 11.670 11.670
153 1HD LYS 22 HD2 LYS 22 2.346 12.783 12.783
154 2HD LYS 22 HD3 LYS 22 0.862 13.583 13.583
155 1HE LYS 22 HE2 LYS 22 -0.364 11.744 11.744
156 2HE LYS 22 HE3 LYS 22 1.211 11.377 11.377
157 1HZ LYS 22 HZ2 LYS 22 0.953 14.101 14.101
158 2HZ LYS 22 HZ3 LYS 22 -0.489 13.517 13.517
159 3HZ LYS 22 HZ1 LYS 22 0.881 13.056 13.056
160 H ALA 23 HN ALA 23 -0.992 7.388 7.388
161 HA ALA 23 HA ALA 23 -2.922 8.848 8.848
162 1HB ALA 23 HB1 ALA 23 -2.558 6.455 6.455
163 2HB ALA 23 HB2 ALA 23 -2.972 6.063 6.063
164 3HB ALA 23 HB3 ALA 23 -4.210 6.738 6.738
165 H VAL 24 HN VAL 24 -3.704 10.548 10.548
166 HA VAL 24 HA VAL 24 -4.599 9.881 9.881
167 HB VAL 24 HB VAL 24 -4.807 12.412 12.412
168 1HG1 VAL 24 HG11 VAL 24 -2.295 10.808 10.808
169 2HG1 VAL 24 HG12 VAL 24 -2.136 12.578 12.578
170 3HG1 VAL 24 HG13 VAL 24 -3.017 11.682 11.682
171 1HG2 VAL 24 HG23 VAL 24 -4.702 12.613 12.613
172 2HG2 VAL 24 HG21 VAL 24 -3.804 13.801 13.801
173 3HG2 VAL 24 HG22 VAL 24 -2.940 12.451 12.451
174 H SER 25 HN SER 25 -5.641 11.020 11.020
175 HA SER 25 HA SER 25 -8.375 10.933 10.933
176 1HB SER 25 HB2 SER 25 -8.184 13.090 13.090
177 2HB SER 25 HB3 SER 25 -6.992 12.636 12.636
178 HG SER 25 HG SER 25 -9.310 13.165 13.165
179 H GLU 26 HN GLU 26 -10.028 10.148 10.148
180 HA GLU 26 HA GLU 26 -8.890 8.444 8.444
181 1HB GLU 26 HB2 GLU 26 -10.396 7.389 7.389
182 2HB GLU 26 HB3 GLU 26 -10.430 6.519 6.519
183 1HG GLU 26 HG2 GLU 26 -8.476 5.555 5.555
184 2HG GLU 26 HG3 GLU 26 -7.711 7.095 7.095
185 H LYS 27 HN LYS 27 -11.025 7.115 7.115
186 HA LYS 27 HA LYS 27 -13.323 8.882 8.882
187 1HB LYS 27 HB2 LYS 27 -11.823 9.836 9.836
188 2HB LYS 27 HB3 LYS 27 -11.793 8.293 8.293
189 1HG LYS 27 HG2 LYS 27 -13.973 8.498 8.498
190 2HG LYS 27 HG3 LYS 27 -14.511 9.391 9.391
191 1HD LYS 27 HD2 LYS 27 -14.396 10.746 10.746
192 2HD LYS 27 HD3 LYS 27 -13.547 11.449 11.449
193 1HE LYS 27 HE2 LYS 27 -11.396 10.472 10.472
194 2HE LYS 27 HE3 LYS 27 -12.249 9.789 9.789
195 1HZ LYS 27 HZ1 LYS 27 -12.962 12.120 12.120
196 2HZ LYS 27 HZ2 LYS 27 -11.872 12.626 12.626
197 3HZ LYS 27 HZ3 LYS 27 -11.374 11.813 11.813
198 H GLU 28 HN GLU 28 -14.940 7.502 7.502
199 HA GLU 28 HA GLU 28 -14.660 4.748 4.748
200 1HB GLU 28 HB2 GLU 28 -15.843 5.646 5.646
201 2HB GLU 28 HB3 GLU 28 -17.084 6.324 6.324
202 1HG GLU 28 HG2 GLU 28 -16.962 3.661 3.661
203 2HG GLU 28 HG3 GLU 28 -16.688 3.525 3.525
204 H VAL 29 HN VAL 29 -14.538 4.398 4.398
205 HA VAL 29 HA VAL 29 -16.861 5.323 5.323
206 HB VAL 29 HB VAL 29 -15.443 4.995 4.995
207 1HG1 VAL 29 HG13 VAL 29 -15.315 7.053 7.053
208 2HG1 VAL 29 HG11 VAL 29 -13.599 6.636 6.636
209 3HG1 VAL 29 HG12 VAL 29 -14.601 7.071 7.071
210 1HG2 VAL 29 HG21 VAL 29 -13.785 3.547 3.547
211 2HG2 VAL 29 HG22 VAL 29 -13.701 3.604 3.604
212 3HG2 VAL 29 HG23 VAL 29 -12.843 4.825 4.825
213 H ASP 30 HN ASP 30 -18.408 3.830 3.830
214 HA ASP 30 HA ASP 30 -18.027 1.172 1.172
215 1HB ASP 30 HB2 ASP 30 -20.148 2.790 2.790
216 2HB ASP 30 HB3 ASP 30 -20.225 1.057 1.057
217 H SER 31 HN SER 31 -18.101 -0.753 -0.753
218 HA SER 31 HA SER 31 -17.371 -0.114 -0.114
219 1HB SER 31 HB2 SER 31 -15.221 -0.591 -0.591
220 2HB SER 31 HB3 SER 31 -15.766 -1.634 -1.634
221 HG SER 31 HG SER 31 -16.122 -2.424 -2.424
222 H GLY 32 HN GLY 32 -19.855 -1.076 -1.076
223 1HA GLY 32 HA1 GLY 32 -21.536 -2.488 -2.488
224 2HA GLY 32 HA2 GLY 32 -20.554 -3.165 -3.165
225 H ASN 33 HN ASN 33 -21.948 -5.069 -5.069
226 HA ASN 33 HA ASN 33 -20.668 -6.053 -6.053
227 1HB ASN 33 HB2 ASN 33 -22.564 -7.669 -7.669
228 2HB ASN 33 HB3 ASN 33 -22.373 -7.733 -7.733
229 1HD2 ASN 33 HD22 ASN 33 -24.598 -5.167 -5.167
230 2HD2 ASN 33 HD21 ASN 33 -23.386 -6.283 -6.283
231 H ASP 34 HN ASP 34 -19.871 -8.459 -8.459
232 HA ASP 34 HA ASP 34 -18.180 -8.739 -8.739
233 1HB ASP 34 HB2 ASP 34 -17.576 -8.984 -8.984
234 2HB ASP 34 HB3 ASP 34 -18.140 -10.625 -10.625
235 H ILE 35 HN ILE 35 -17.788 -11.638 -11.638
236 HA ILE 35 HA ILE 35 -20.149 -12.515 -12.515
237 HB ILE 35 HB ILE 35 -17.574 -13.932 -13.932
238 1HG1 ILE 35 HG12 ILE 35 -17.150 -13.565 -13.565
239 2HG1 ILE 35 HG13 ILE 35 -18.468 -12.409 -12.409
240 1HG2 ILE 35 HG22 ILE 35 -20.009 -14.771 -14.771
241 2HG2 ILE 35 HG23 ILE 35 -18.404 -15.366 -15.366
242 3HG2 ILE 35 HG21 ILE 35 -19.015 -15.689 -15.689
243 1HD1 ILE 35 HD12 ILE 35 -16.285 -12.175 -12.175
244 2HD1 ILE 35 HD13 ILE 35 -15.980 -11.599 -11.599
245 3HD1 ILE 35 HD11 ILE 35 -17.312 -10.902 -10.902
246 H TYR 36 HN TYR 36 -19.513 -12.023 -12.023
247 HA TYR 36 HA TYR 36 -20.895 -14.480 -14.480
248 1HB TYR 36 HB2 TYR 36 -18.535 -13.394 -13.394
249 2HB TYR 36 HB3 TYR 36 -19.612 -12.402 -12.402
250 HD1 TYR 36 HD1 TYR 36 -19.445 -16.053 -16.053
251 HD2 TYR 36 HD2 TYR 36 -19.788 -13.112 -13.112
252 HE1 TYR 36 HE1 TYR 36 -19.589 -17.895 -17.895
253 HE2 TYR 36 HE2 TYR 36 -19.931 -14.964 -14.964
254 HH TYR 36 HH TYR 36 -19.480 -17.158 -17.158
255 H GLY 37 HN GLY 37 -21.536 -11.323 -11.323
256 1HA GLY 37 HA1 GLY 37 -23.588 -10.295 -10.295
257 2HA GLY 37 HA2 GLY 37 -24.027 -11.330 -11.330
258 H ASN 38 HN ASN 38 -20.991 -10.496 -10.496
259 HA ASN 38 HA ASN 38 -21.957 -8.562 -8.562
260 1HB ASN 38 HB2 ASN 38 -19.418 -8.504 -8.504
261 2HB ASN 38 HB3 ASN 38 -20.279 -10.009 -10.009
262 1HD2 ASN 38 HD22 ASN 38 -17.074 -10.807 -10.807
263 2HD2 ASN 38 HD21 ASN 38 -17.616 -10.091 -10.091
264 HA PRO 39 HA PRO 39 -20.640 -5.038 -5.038
265 1HB PRO 39 HB2 PRO 39 -20.233 -3.207 -3.207
266 2HB PRO 39 HB3 PRO 39 -21.821 -3.608 -3.608
267 1HG PRO 39 HG2 PRO 39 -20.577 -4.413 -4.413
268 2HG PRO 39 HG3 PRO 39 -22.270 -4.436 -4.436
269 1HD PRO 39 HD2 PRO 39 -20.501 -6.689 -6.689
270 2HD PRO 39 HD3 PRO 39 -22.160 -6.694 -6.694
271 H ILE 40 HN ILE 40 -18.881 -4.475 -4.475
272 HA ILE 40 HA ILE 40 -16.406 -5.437 -5.437
273 HB ILE 40 HB ILE 40 -17.177 -3.648 -3.648
274 1HG1 ILE 40 HG12 ILE 40 -16.450 -6.586 -6.586
275 2HG1 ILE 40 HG13 ILE 40 -18.044 -5.924 -5.924
276 1HG2 ILE 40 HG22 ILE 40 -14.470 -4.841 -4.841
277 2HG2 ILE 40 HG23 ILE 40 -14.911 -4.077 -4.077
278 3HG2 ILE 40 HG21 ILE 40 -14.896 -3.114 -3.114
279 1HD1 ILE 40 HD11 ILE 40 -16.443 -4.637 -4.637
280 2HD1 ILE 40 HD12 ILE 40 -15.794 -6.293 -6.293
281 3HD1 ILE 40 HD13 ILE 40 -17.518 -6.024 -6.024
282 H LYS 41 HN LYS 41 -16.794 -2.049 -2.049
283 HA LYS 41 HA LYS 41 -16.325 -0.112 -0.112
284 1HB LYS 41 HB2 LYS 41 -17.618 -1.078 -1.078
285 2HB LYS 41 HB3 LYS 41 -16.078 -1.523 -1.523
286 1HG LYS 41 HG2 LYS 41 -15.358 0.768 0.768
287 2HG LYS 41 HG3 LYS 41 -16.614 1.324 1.324
288 1HD LYS 41 HD2 LYS 41 -17.180 0.069 0.069
289 2HD LYS 41 HD3 LYS 41 -17.052 1.797 1.797
290 1HE LYS 41 HE2 LYS 41 -19.036 -0.023 -0.023
291 2HE LYS 41 HE3 LYS 41 -19.430 0.947 0.947
292 1HZ LYS 41 HZ2 LYS 41 -18.581 2.870 2.870
293 2HZ LYS 41 HZ3 LYS 41 -18.661 1.881 1.881
294 3HZ LYS 41 HZ1 LYS 41 -20.013 2.230 2.230
295 H ARG 42 HN ARG 42 -14.426 0.965 0.965
296 HA ARG 42 HA ARG 42 -12.046 -0.464 -0.464
297 1HB ARG 42 HB2 ARG 42 -11.198 1.001 1.001
298 2HB ARG 42 HB3 ARG 42 -11.490 -0.727 -0.727
299 1HG ARG 42 HG2 ARG 42 -13.931 -0.253 -0.253
300 2HG ARG 42 HG3 ARG 42 -13.507 1.437 1.437
301 1HD ARG 42 HD2 ARG 42 -11.629 0.472 0.472
302 2HD ARG 42 HD3 ARG 42 -12.683 -0.926 -0.926
303 HE ARG 42 HE ARG 42 -14.378 1.269 1.269
304 1HH1 ARG 42 HH21 ARG 42 -11.980 0.523 0.523
305 2HH1 ARG 42 HH22 ARG 42 -11.533 -0.059 -0.059
306 1HH2 ARG 42 HH12 ARG 42 -14.969 2.037 2.037
307 2HH2 ARG 42 HH11 ARG 42 -13.947 1.723 1.723
308 H ILE 43 HN ILE 43 -12.670 1.162 1.162
309 HA ILE 43 HA ILE 43 -12.733 3.813 3.813
310 HB ILE 43 HB ILE 43 -11.823 1.817 1.817
311 1HG1 ILE 43 HG12 ILE 43 -12.958 3.476 3.476
312 2HG1 ILE 43 HG13 ILE 43 -13.315 4.444 4.444
313 1HG2 ILE 43 HG23 ILE 43 -9.718 3.115 3.115
314 2HG2 ILE 43 HG21 ILE 43 -10.623 4.583 4.583
315 3HG2 ILE 43 HG22 ILE 43 -10.502 3.226 3.226
316 1HD1 ILE 43 HD13 ILE 43 -13.991 1.609 1.609
317 2HD1 ILE 43 HD11 ILE 43 -14.857 2.320 2.320
318 3HD1 ILE 43 HD12 ILE 43 -14.998 3.058 3.058
319 H GLN 44 HN GLN 44 -11.311 5.598 5.598
320 HA GLN 44 HA GLN 44 -9.013 4.989 4.989
321 1HB GLN 44 HB2 GLN 44 -10.374 7.597 7.597
322 2HB GLN 44 HB3 GLN 44 -8.907 7.548 7.548
323 1HG GLN 44 HG2 GLN 44 -11.664 6.511 6.511
324 2HG GLN 44 HG3 GLN 44 -10.660 7.642 7.642
325 1HE2 GLN 44 HE22 GLN 44 -10.135 3.561 3.561
326 2HE2 GLN 44 HE21 GLN 44 -11.087 4.295 4.295
327 H TYR 45 HN TYR 45 -7.081 6.769 6.769
328 HA TYR 45 HA TYR 45 -6.585 6.705 6.705
329 1HB TYR 45 HB2 TYR 45 -5.213 5.362 5.362
330 2HB TYR 45 HB3 TYR 45 -4.116 6.218 6.218
331 HD1 TYR 45 HD2 TYR 45 -5.712 5.711 5.711
332 HD2 TYR 45 HD1 TYR 45 -4.475 3.139 3.139
333 HE1 TYR 45 HE2 TYR 45 -5.715 3.727 3.727
334 HE2 TYR 45 HE1 TYR 45 -4.482 1.164 1.164
335 HH TYR 45 HH TYR 45 -4.953 0.466 0.466
336 H GLU 46 HN GLU 46 -7.366 9.034 9.034
337 HA GLU 46 HA GLU 46 -5.718 10.633 10.633
338 1HB GLU 46 HB2 GLU 46 -8.136 10.981 10.981
339 2HB GLU 46 HB3 GLU 46 -7.195 11.800 11.800
340 1HG GLU 46 HG2 GLU 46 -6.219 13.316 13.316
341 2HG GLU 46 HG3 GLU 46 -6.981 12.429 12.429
342 H ILE 47 HN ILE 47 -3.587 9.696 9.696
343 HA ILE 47 HA ILE 47 -2.739 10.314 10.314
344 HB ILE 47 HB ILE 47 -0.528 9.688 9.688
345 1HG1 ILE 47 HG12 ILE 47 -1.870 9.913 9.913
346 2HG1 ILE 47 HG13 ILE 47 -0.331 10.563 10.563
347 1HG2 ILE 47 HG22 ILE 47 -2.867 8.080 8.080
348 2HG2 ILE 47 HG23 ILE 47 -1.862 7.501 7.501
349 3HG2 ILE 47 HG21 ILE 47 -1.176 7.603 7.603
350 1HD1 ILE 47 HD12 ILE 47 -0.118 7.750 7.750
351 2HD1 ILE 47 HD13 ILE 47 -0.900 7.990 7.990
352 3HD1 ILE 47 HD11 ILE 47 0.678 8.744 8.744
353 H LYS 48 HN LYS 48 -0.360 11.610 11.610
354 HA LYS 48 HA LYS 48 -1.029 14.208 14.208
355 1HB LYS 48 HB2 LYS 48 -1.234 13.821 13.821
356 2HB LYS 48 HB3 LYS 48 0.505 14.035 14.035
357 1HG LYS 48 HG2 LYS 48 0.326 16.239 16.239
358 2HG LYS 48 HG3 LYS 48 -1.348 16.000 16.000
359 1HD LYS 48 HD2 LYS 48 -0.789 17.409 17.409
360 2HD LYS 48 HD3 LYS 48 -2.147 16.301 16.301
361 1HE LYS 48 HE2 LYS 48 -0.854 14.602 14.602
362 2HE LYS 48 HE3 LYS 48 0.645 15.475 15.475
363 1HZ LYS 48 HZ1 LYS 48 -1.598 16.603 16.603
364 2HZ LYS 48 HZ2 LYS 48 -0.397 15.743 15.743
365 3HZ LYS 48 HZ3 LYS 48 -0.060 17.150 17.150
366 H GLN 49 HN GLN 49 0.940 11.539 11.539
367 HA GLN 49 HA GLN 49 2.912 11.122 11.122
368 1HB GLN 49 HB2 GLN 49 2.683 12.030 12.030
369 2HB GLN 49 HB3 GLN 49 2.006 13.521 13.521
370 1HG GLN 49 HG2 GLN 49 4.145 14.007 14.007
371 2HG GLN 49 HG3 GLN 49 4.301 14.302 14.302
372 1HE2 GLN 49 HE22 GLN 49 5.867 10.743 10.743
373 2HE2 GLN 49 HE21 GLN 49 4.328 11.345 11.345
374 H ILE 50 HN ILE 50 4.759 10.967 10.967
375 HA ILE 50 HA ILE 50 5.838 13.462 13.462
376 HB ILE 50 HB ILE 50 5.650 12.767 12.767
377 1HG1 ILE 50 HG12 ILE 50 6.956 10.254 10.254
378 2HG1 ILE 50 HG13 ILE 50 7.617 11.499 11.499
379 1HG2 ILE 50 HG22 ILE 50 3.501 11.850 11.850
380 2HG2 ILE 50 HG23 ILE 50 4.236 10.249 10.249
381 3HG2 ILE 50 HG21 ILE 50 3.916 11.318 11.318
382 1HD1 ILE 50 HD11 ILE 50 5.950 10.829 10.829
383 2HD1 ILE 50 HD12 ILE 50 5.451 9.480 9.480
384 3HD1 ILE 50 HD13 ILE 50 7.114 9.548 9.548
385 H LYS 51 HN LYS 51 6.286 10.229 10.229
386 HA LYS 51 HA LYS 51 8.946 11.030 11.030
387 1HB LYS 51 HB2 LYS 51 8.606 9.418 9.418
388 2HB LYS 51 HB3 LYS 51 9.128 8.334 8.334
389 1HG LYS 51 HG2 LYS 51 10.776 10.536 10.536
390 2HG LYS 51 HG3 LYS 51 10.610 10.538 10.538
391 1HD LYS 51 HD2 LYS 51 11.687 8.488 8.488
392 2HD LYS 51 HD3 LYS 51 11.137 7.878 7.878
393 1HE LYS 51 HE2 LYS 51 12.783 9.166 9.166
394 2HE LYS 51 HE3 LYS 51 13.157 10.150 10.150
395 1HZ LYS 51 HZ2 LYS 51 13.521 7.286 7.286
396 2HZ LYS 51 HZ3 LYS 51 14.610 8.114 8.114
397 3HZ LYS 51 HZ1 LYS 51 14.377 8.501 8.501
398 H MET 52 HN MET 52 9.872 9.277 9.277
399 HA MET 52 HA MET 52 7.770 7.725 7.725
400 1HB MET 52 HB2 MET 52 8.347 8.697 8.697
401 2HB MET 52 HB3 MET 52 7.619 9.874 9.874
402 1HG MET 52 HG2 MET 52 9.464 11.198 11.198
403 2HG MET 52 HG3 MET 52 10.495 9.882 9.882
404 1HE MET 52 HE3 MET 52 11.578 12.024 12.024
405 2HE MET 52 HE1 MET 52 12.527 10.574 10.574
406 3HE MET 52 HE2 MET 52 12.361 11.087 11.087
407 H PHE 53 HN PHE 53 9.366 6.196 6.196
408 HA PHE 53 HA PHE 53 11.936 5.796 5.796
409 1HB PHE 53 HB2 PHE 53 9.485 4.088 4.088
410 2HB PHE 53 HB3 PHE 53 10.872 3.225 3.225
411 HD1 PHE 53 HD2 PHE 53 13.132 4.352 4.352
412 HD2 PHE 53 HD1 PHE 53 9.233 3.517 3.517
413 HE1 PHE 53 HE2 PHE 53 14.049 4.113 4.113
414 HE2 PHE 53 HE1 PHE 53 10.150 3.277 3.277
415 HZ PHE 53 HZ PHE 53 12.547 3.578 3.578
416 H LYS 54 HN LYS 54 9.602 3.835 3.835
417 HA LYS 54 HA LYS 54 11.247 4.455 4.455
418 1HB LYS 54 HB2 LYS 54 11.745 2.191 2.191
419 2HB LYS 54 HB3 LYS 54 10.147 1.698 1.698
420 1HG LYS 54 HG2 LYS 54 11.556 1.010 1.010
421 2HG LYS 54 HG3 LYS 54 10.839 2.499 2.499
422 1HD LYS 54 HD2 LYS 54 13.168 3.287 3.287
423 2HD LYS 54 HD3 LYS 54 13.649 1.889 1.889
424 1HE LYS 54 HE2 LYS 54 12.035 4.092 4.092
425 2HE LYS 54 HE3 LYS 54 13.757 4.311 4.311
426 1HZ LYS 54 HZ3 LYS 54 12.664 1.914 1.914
427 2HZ LYS 54 HZ1 LYS 54 13.059 3.254 3.254
428 3HZ LYS 54 HZ2 LYS 54 14.208 2.443 2.443
429 H GLY 55 HN GLY 55 9.369 6.117 6.117
430 1HA GLY 55 HA1 GLY 55 7.037 4.866 4.866
431 2HA GLY 55 HA2 GLY 55 6.923 6.250 6.250
432 HA PRO 56 HA PRO 56 7.388 7.974 7.974
433 1HB PRO 56 HB2 PRO 56 5.332 9.768 9.768
434 2HB PRO 56 HB3 PRO 56 5.153 8.157 8.157
435 1HG PRO 56 HG2 PRO 56 4.240 9.195 9.195
436 2HG PRO 56 HG3 PRO 56 3.717 7.756 7.756
437 1HD PRO 56 HD2 PRO 56 5.488 7.867 7.867
438 2HD PRO 56 HD3 PRO 56 5.057 6.442 6.442
439 H GLU 57 HN GLU 57 7.390 10.479 10.479
440 HA GLU 57 HA GLU 57 9.355 11.508 11.508
441 1HB GLU 57 HB2 GLU 57 8.368 13.081 13.081
442 2HB GLU 57 HB3 GLU 57 10.000 12.911 12.911
443 1HG GLU 57 HG2 GLU 57 9.838 10.416 10.416
444 2HG GLU 57 HG3 GLU 57 8.404 10.886 10.886
445 H LYS 58 HN LYS 58 5.973 12.132 12.132
446 HA LYS 58 HA LYS 58 5.894 14.625 14.625
447 1HB LYS 58 HB2 LYS 58 4.572 13.797 13.797
448 2HB LYS 58 HB3 LYS 58 3.432 13.227 13.227
449 1HG LYS 58 HG2 LYS 58 2.608 15.347 15.347
450 2HG LYS 58 HG3 LYS 58 4.036 15.778 15.778
451 1HD LYS 58 HD2 LYS 58 4.182 15.698 15.698
452 2HD LYS 58 HD3 LYS 58 3.455 17.083 17.083
453 1HE LYS 58 HE2 LYS 58 5.844 16.616 16.616
454 2HE LYS 58 HE3 LYS 58 6.290 16.356 16.356
455 1HZ LYS 58 HZ2 LYS 58 4.913 18.535 18.535
456 2HZ LYS 58 HZ3 LYS 58 5.328 18.769 18.769
457 3HZ LYS 58 HZ1 LYS 58 6.488 18.583 18.583
458 H ASP 59 HN ASP 59 3.662 11.792 11.792
459 HA ASP 59 HA ASP 59 4.221 10.728 10.728
460 1HB ASP 59 HB2 ASP 59 4.450 12.713 12.713
461 2HB ASP 59 HB3 ASP 59 3.075 13.484 13.484
462 H ILE 60 HN ILE 60 2.076 10.030 10.030
463 HA ILE 60 HA ILE 60 -0.005 9.698 9.698
464 HB ILE 60 HB ILE 60 0.089 8.210 8.210
465 1HG1 ILE 60 HG12 ILE 60 2.409 8.206 8.206
466 2HG1 ILE 60 HG13 ILE 60 1.669 6.627 6.627
467 1HG2 ILE 60 HG22 ILE 60 -1.775 8.098 8.098
468 2HG2 ILE 60 HG23 ILE 60 -0.603 7.144 7.144
469 3HG2 ILE 60 HG21 ILE 60 -1.128 6.579 6.579
470 1HD1 ILE 60 HD12 ILE 60 1.408 8.142 8.142
471 2HD1 ILE 60 HD13 ILE 60 2.880 7.209 7.209
472 3HD1 ILE 60 HD11 ILE 60 1.301 6.390 6.390
473 H GLU 61 HN GLU 61 0.018 9.946 9.946
474 HA GLU 61 HA GLU 61 -1.081 11.261 11.261
475 1HB GLU 61 HB2 GLU 61 -1.043 12.863 12.863
476 2HB GLU 61 HB3 GLU 61 -2.598 13.064 13.064
477 1HG GLU 61 HG2 GLU 61 -0.901 13.191 13.191
478 2HG GLU 61 HG3 GLU 61 0.112 13.889 13.889
479 H PHE 62 HN PHE 62 -2.422 9.379 9.379
480 HA PHE 62 HA PHE 62 -4.880 9.119 9.119
481 1HB PHE 62 HB2 PHE 62 -4.503 10.287 10.287
482 2HB PHE 62 HB3 PHE 62 -5.665 8.976 8.976
483 HD1 PHE 62 HD1 PHE 62 -7.689 9.143 9.143
484 HD2 PHE 62 HD2 PHE 62 -5.049 12.414 12.414
485 HE1 PHE 62 HE1 PHE 62 -9.458 10.715 10.715
486 HE2 PHE 62 HE2 PHE 62 -6.818 13.987 13.987
487 HZ PHE 62 HZ PHE 62 -9.001 13.120 13.120
488 H ILE 63 HN ILE 63 -4.439 7.011 7.011
489 HA ILE 63 HA ILE 63 -3.804 5.139 5.139
490 HB ILE 63 HB ILE 63 -3.508 4.443 4.443
491 1HG1 ILE 63 HG12 ILE 63 -2.408 6.801 6.801
492 2HG1 ILE 63 HG13 ILE 63 -1.807 5.819 5.819
493 1HG2 ILE 63 HG23 ILE 63 -2.262 3.636 3.636
494 2HG2 ILE 63 HG21 ILE 63 -1.435 3.317 3.317
495 3HG2 ILE 63 HG22 ILE 63 -3.049 2.632 2.632
496 1HD1 ILE 63 HD11 ILE 63 -0.937 5.338 5.338
497 2HD1 ILE 63 HD12 ILE 63 -0.093 6.479 6.479
498 3HD1 ILE 63 HD13 ILE 63 -0.164 4.751 4.751
499 H TYR 64 HN TYR 64 -4.758 2.847 2.847
500 HA TYR 64 HA TYR 64 -7.513 3.198 3.198
501 1HB TYR 64 HB2 TYR 64 -6.264 1.705 1.705
502 2HB TYR 64 HB3 TYR 64 -7.908 1.394 1.394
503 HD1 TYR 64 HD1 TYR 64 -5.822 4.445 4.445
504 HD2 TYR 64 HD2 TYR 64 -9.531 2.402 2.402
505 HE1 TYR 64 HE1 TYR 64 -6.649 6.361 6.361
506 HE2 TYR 64 HE2 TYR 64 -10.346 4.324 4.324
507 HH TYR 64 HH TYR 64 -8.260 7.142 7.142
508 H THR 65 HN THR 65 -8.492 1.358 1.358
509 HA THR 65 HA THR 65 -7.065 -1.083 -1.083
510 HB THR 65 HB THR 65 -5.677 0.353 0.353
511 HG1 THR 65 HG1 THR 65 -6.317 -0.961 -0.961
512 1HG2 THR 65 HG23 THR 65 -8.404 0.970 0.970
513 2HG2 THR 65 HG21 THR 65 -6.930 1.027 1.027
514 3HG2 THR 65 HG22 THR 65 -7.097 2.107 2.107
515 H ALA 66 HN ALA 66 -8.204 -1.993 -1.993
516 HA ALA 66 HA ALA 66 -11.030 -1.918 -1.918
517 1HB ALA 66 HB3 ALA 66 -9.151 -4.019 -4.019
518 2HB ALA 66 HB1 ALA 66 -10.533 -4.044 -4.044
519 3HB ALA 66 HB2 ALA 66 -10.808 -4.153 -4.153
520 HA PRO 67 HA PRO 67 -11.958 -0.053 -0.053
521 1HB PRO 67 HB2 PRO 67 -14.578 -0.758 -0.758
522 2HB PRO 67 HB3 PRO 67 -14.058 0.550 0.550
523 1HG PRO 67 HG2 PRO 67 -14.990 -2.155 -2.155
524 2HG PRO 67 HG3 PRO 67 -14.875 -0.720 -0.720
525 1HD PRO 67 HD2 PRO 67 -13.084 -2.960 -2.960
526 2HD PRO 67 HD3 PRO 67 -12.905 -1.475 -1.475
527 H SER 68 HN SER 68 -13.773 -0.842 -0.842
528 HA SER 68 HA SER 68 -13.771 -1.986 -1.986
529 1HB SER 68 HB2 SER 68 -13.378 -4.060 -4.060
530 2HB SER 68 HB3 SER 68 -12.906 -4.575 -4.575
531 HG SER 68 HG SER 68 -14.977 -4.831 -4.831
532 H SER 69 HN SER 69 -12.137 -4.014 -4.014
533 HA SER 69 HA SER 69 -9.877 -2.486 -2.486
534 1HB SER 69 HB2 SER 69 -9.337 -4.255 -4.255
535 2HB SER 69 HB3 SER 69 -11.084 -4.118 -4.118
536 HG SER 69 HG SER 69 -11.279 -6.001 -6.001
537 H ALA 70 HN ALA 70 -9.571 -2.548 -2.548
538 HA ALA 70 HA ALA 70 -8.299 -3.158 -3.158
539 1HB ALA 70 HB3 ALA 70 -6.592 -2.471 -2.471
540 2HB ALA 70 HB1 ALA 70 -6.397 -4.192 -4.192
541 3HB ALA 70 HB2 ALA 70 -5.980 -3.613 -3.613
542 H VAL 71 HN VAL 71 -9.440 -4.725 -4.725
543 HA VAL 71 HA VAL 71 -9.124 -7.479 -7.479
544 HB VAL 71 HB VAL 71 -11.201 -7.872 -7.872
545 1HG1 VAL 71 HG12 VAL 71 -11.300 -5.650 -5.650
546 2HG1 VAL 71 HG13 VAL 71 -11.497 -4.878 -4.878
547 3HG1 VAL 71 HG11 VAL 71 -12.704 -6.054 -6.054
548 1HG2 VAL 71 HG23 VAL 71 -10.422 -7.708 -7.708
549 2HG2 VAL 71 HG21 VAL 71 -12.126 -7.265 -7.265
550 3HG2 VAL 71 HG22 VAL 71 -10.902 -5.994 -5.994
551 H CYS 72 HN CYS 72 -9.130 -5.504 -5.504
552 HA CYS 72 HA CYS 72 -7.383 -7.546 -7.546
553 1HB CYS 72 HB2 CYS 72 -8.986 -5.373 -5.373
554 2HB CYS 72 HB3 CYS 72 -7.956 -6.538 -6.538
555 H GLY 73 HN GLY 73 -6.983 -5.020 -5.020
556 1HA GLY 73 HA1 GLY 73 -4.517 -4.163 -4.163
557 2HA GLY 73 HA2 GLY 73 -5.703 -2.924 -2.924
558 H VAL 74 HN VAL 74 -4.340 -1.877 -1.877
559 HA VAL 74 HA VAL 74 -4.027 -3.431 -3.431
560 HB VAL 74 HB VAL 74 -2.227 -1.342 -1.342
561 1HG1 VAL 74 HG11 VAL 74 -2.205 -2.555 -2.555
562 2HG1 VAL 74 HG12 VAL 74 -0.776 -1.794 -1.794
563 3HG1 VAL 74 HG13 VAL 74 -2.248 -0.835 -0.835
564 1HG2 VAL 74 HG22 VAL 74 -2.231 -3.926 -3.926
565 2HG2 VAL 74 HG23 VAL 74 -0.714 -3.015 -3.015
566 3HG2 VAL 74 HG21 VAL 74 -1.301 -4.043 -4.043
567 H SER 75 HN SER 75 -5.864 -1.147 -1.147
568 HA SER 75 HA SER 75 -6.769 0.805 0.805
569 1HB SER 75 HB2 SER 75 -8.590 0.344 0.344
570 2HB SER 75 HB3 SER 75 -8.107 -1.261 -1.261
571 HG SER 75 HG SER 75 -8.249 -1.500 -1.500
572 H LEU 76 HN LEU 76 -4.865 2.141 2.141
573 HA LEU 76 HA LEU 76 -4.182 2.350 2.350
574 1HB LEU 76 HB2 LEU 76 -2.572 3.814 3.814
575 2HB LEU 76 HB3 LEU 76 -2.083 2.870 2.870
576 HG LEU 76 HG LEU 76 -2.874 0.850 0.850
577 1HD1 LEU 76 HD12 LEU 76 -3.206 2.944 2.944
578 2HD1 LEU 76 HD13 LEU 76 -1.587 2.342 2.342
579 3HD1 LEU 76 HD11 LEU 76 -2.982 1.237 1.237
580 1HD2 LEU 76 HD22 LEU 76 -0.414 1.998 1.998
581 2HD2 LEU 76 HD23 LEU 76 -0.748 0.321 0.321
582 3HD2 LEU 76 HD21 LEU 76 -0.236 1.522 1.522
583 H ASP 77 HN ASP 77 -4.674 4.167 4.167
584 HA ASP 77 HA ASP 77 -6.066 6.222 6.222
585 1HB ASP 77 HB2 ASP 77 -7.210 6.783 6.783
586 2HB ASP 77 HB3 ASP 77 -7.354 5.059 5.059
587 H VAL 78 HN VAL 78 -3.132 5.437 5.437
588 HA VAL 78 HA VAL 78 -1.332 6.617 6.617
589 HB VAL 78 HB VAL 78 -2.989 8.718 8.718
590 1HG1 VAL 78 HG11 VAL 78 -0.620 9.202 9.202
591 2HG1 VAL 78 HG12 VAL 78 -0.761 10.135 10.135
592 3HG1 VAL 78 HG13 VAL 78 -2.057 10.210 10.210
593 1HG2 VAL 78 HG22 VAL 78 -0.445 7.209 7.209
594 2HG2 VAL 78 HG23 VAL 78 -1.900 7.395 7.395
595 3HG2 VAL 78 HG21 VAL 78 -0.769 8.757 8.757
596 H GLY 79 HN GLY 79 -4.338 8.446 8.446
597 1HA GLY 79 HA1 GLY 79 -3.465 9.741 9.741
598 2HA GLY 79 HA2 GLY 79 -5.085 9.112 9.112
599 H GLY 80 HN GLY 80 -3.541 6.309 6.309
600 1HA GLY 80 HA1 GLY 80 -3.363 5.844 5.844
601 2HA GLY 80 HA2 GLY 80 -4.060 4.709 4.709
602 H LYS 81 HN LYS 81 -1.992 5.356 5.356
603 HA LYS 81 HA LYS 81 0.158 3.767 3.767
604 1HB LYS 81 HB2 LYS 81 0.428 3.822 3.822
605 2HB LYS 81 HB3 LYS 81 -0.073 2.482 2.482
606 1HG LYS 81 HG2 LYS 81 -1.992 4.636 4.636
607 2HG LYS 81 HG3 LYS 81 -1.724 3.121 3.121
608 1HD LYS 81 HD2 LYS 81 -2.864 1.872 1.872
609 2HD LYS 81 HD3 LYS 81 -2.350 2.887 2.887
610 1HE LYS 81 HE2 LYS 81 -4.379 3.901 3.901
611 2HE LYS 81 HE3 LYS 81 -3.977 4.567 4.567
612 1HZ LYS 81 HZ2 LYS 81 -4.704 2.267 2.267
613 2HZ LYS 81 HZ3 LYS 81 -5.474 2.146 2.146
614 3HZ LYS 81 HZ1 LYS 81 -5.850 3.357 3.357
615 H LYS 82 HN LYS 82 0.417 5.670 5.670
616 HA LYS 82 HA LYS 82 1.395 8.028 8.028
617 1HB LYS 82 HB2 LYS 82 3.929 7.572 7.572
618 2HB LYS 82 HB3 LYS 82 3.073 7.200 7.200
619 1HG LYS 82 HG2 LYS 82 2.878 4.865 4.865
620 2HG LYS 82 HG3 LYS 82 4.542 5.403 5.403
621 1HD LYS 82 HD2 LYS 82 4.965 4.594 4.594
622 2HD LYS 82 HD3 LYS 82 3.739 5.643 5.643
623 1HE LYS 82 HE2 LYS 82 2.133 3.974 3.974
624 2HE LYS 82 HE3 LYS 82 2.698 3.229 3.229
625 1HZ LYS 82 HZ1 LYS 82 4.714 2.944 2.944
626 2HZ LYS 82 HZ2 LYS 82 3.336 2.555 2.555
627 3HZ LYS 82 HZ3 LYS 82 3.740 1.774 1.774
628 H GLU 83 HN GLU 83 3.486 5.855 5.855
629 HA GLU 83 HA GLU 83 2.174 6.734 6.734
630 1HB GLU 83 HB2 GLU 83 5.151 7.277 7.277
631 2HB GLU 83 HB3 GLU 83 4.058 7.837 7.837
632 1HG GLU 83 HG2 GLU 83 4.251 9.755 9.755
633 2HG GLU 83 HG3 GLU 83 2.786 9.037 9.037
634 H TYR 84 HN TYR 84 2.690 5.392 5.392
635 HA TYR 84 HA TYR 84 4.336 3.052 3.052
636 1HB TYR 84 HB2 TYR 84 2.600 1.834 1.834
637 2HB TYR 84 HB3 TYR 84 1.913 2.514 2.514
638 HD1 TYR 84 HD2 TYR 84 2.632 3.713 3.713
639 HD2 TYR 84 HD1 TYR 84 -0.163 3.499 3.499
640 HE1 TYR 84 HE2 TYR 84 0.919 4.978 4.978
641 HE2 TYR 84 HE1 TYR 84 -1.867 4.766 4.766
642 HH TYR 84 HH TYR 84 -2.264 5.032 5.032
643 H LEU 85 HN LEU 85 5.368 1.969 1.969
644 HA LEU 85 HA LEU 85 6.171 3.911 3.911
645 1HB LEU 85 HB2 LEU 85 7.799 2.160 2.160
646 2HB LEU 85 HB3 LEU 85 7.915 2.698 2.698
647 HG LEU 85 HG LEU 85 8.083 0.151 0.151
648 1HD1 LEU 85 HD13 LEU 85 7.742 1.531 1.531
649 2HD1 LEU 85 HD11 LEU 85 6.335 0.441 0.441
650 3HD1 LEU 85 HD12 LEU 85 7.977 -0.230 -0.230
651 1HD2 LEU 85 HD22 LEU 85 5.085 0.525 0.525
652 2HD2 LEU 85 HD23 LEU 85 5.982 -0.003 -0.003
653 3HD2 LEU 85 HD21 LEU 85 5.940 -1.035 -1.035
654 H ILE 86 HN ILE 86 3.492 2.061 2.061
655 HA ILE 86 HA ILE 86 2.515 0.536 0.536
656 HB ILE 86 HB ILE 86 1.977 3.360 3.360
657 1HG1 ILE 86 HG12 ILE 86 -0.303 2.634 2.634
658 2HG1 ILE 86 HG13 ILE 86 0.090 1.043 1.043
659 1HG2 ILE 86 HG22 ILE 86 1.707 1.885 1.885
660 2HG2 ILE 86 HG23 ILE 86 0.511 3.123 3.123
661 3HG2 ILE 86 HG21 ILE 86 2.233 3.555 3.555
662 1HD1 ILE 86 HD11 ILE 86 1.763 1.648 1.648
663 2HD1 ILE 86 HD12 ILE 86 0.041 1.850 1.850
664 3HD1 ILE 86 HD13 ILE 86 0.629 0.298 0.298
665 H ALA 87 HN ALA 87 3.676 -0.849 -0.849
666 HA ALA 87 HA ALA 87 4.707 0.302 0.302
667 1HB ALA 87 HB2 ALA 87 6.091 -1.227 -1.227
668 2HB ALA 87 HB3 ALA 87 6.326 -1.879 -1.879
669 3HB ALA 87 HB1 ALA 87 6.758 -0.189 -0.189
670 H GLY 88 HN GLY 88 3.339 -0.413 -0.413
671 1HA GLY 88 HA1 GLY 88 2.781 -3.295 -3.295
672 2HA GLY 88 HA2 GLY 88 1.430 -2.179 -2.179
673 H LYS 89 HN LYS 89 1.518 -3.730 -3.730
674 HA LYS 89 HA LYS 89 3.135 -3.231 -3.231
675 1HB LYS 89 HB2 LYS 89 1.146 -3.712 -3.712
676 2HB LYS 89 HB3 LYS 89 1.418 -4.872 -4.872
677 1HG LYS 89 HG2 LYS 89 -0.235 -2.902 -2.902
678 2HG LYS 89 HG3 LYS 89 -0.878 -3.094 -3.094
679 1HD LYS 89 HD2 LYS 89 -1.397 -5.374 -5.374
680 2HD LYS 89 HD3 LYS 89 -0.206 -5.577 -5.577
681 1HE LYS 89 HE2 LYS 89 -1.891 -5.311 -5.311
682 2HE LYS 89 HE3 LYS 89 -1.941 -3.620 -3.620
683 1HZ LYS 89 HZ3 LYS 89 -3.314 -5.432 -5.432
684 2HZ LYS 89 HZ1 LYS 89 -3.978 -5.252 -5.252
685 3HZ LYS 89 HZ2 LYS 89 -3.756 -3.949 -3.949
686 H ALA 90 HN ALA 90 0.569 -1.098 -1.098
687 HA ALA 90 HA ALA 90 0.434 1.134 1.134
688 1HB ALA 90 HB1 ALA 90 2.981 0.902 0.902
689 2HB ALA 90 HB2 ALA 90 2.362 1.257 1.257
690 3HB ALA 90 HB3 ALA 90 2.102 2.418 2.418
691 H GLU 91 HN GLU 91 -0.255 2.808 2.808
692 HA GLU 91 HA GLU 91 -1.569 1.306 1.306
693 1HB GLU 91 HB2 GLU 91 -3.041 1.953 1.953
694 2HB GLU 91 HB3 GLU 91 -3.070 3.537 3.537
695 1HG GLU 91 HG2 GLU 91 -5.012 2.132 2.132
696 2HG GLU 91 HG3 GLU 91 -4.020 2.612 2.612
697 H GLY 92 HN GLY 92 0.733 3.448 3.448
698 1HA GLY 92 HA1 GLY 92 1.505 4.587 4.587
699 2HA GLY 92 HA2 GLY 92 -0.078 5.336 5.336
700 H ASP 93 HN ASP 93 -0.080 7.419 7.419
701 HA ASP 93 HA ASP 93 1.601 7.985 7.985
702 1HB ASP 93 HB2 ASP 93 1.262 9.535 9.535
703 2HB ASP 93 HB3 ASP 93 1.706 10.379 10.379
704 H GLY 94 HN GLY 94 0.646 9.538 9.538
705 1HA GLY 94 HA1 GLY 94 -0.954 10.876 10.876
706 2HA GLY 94 HA2 GLY 94 -1.791 10.908 10.908
707 H LYS 95 HN LYS 95 -1.220 7.668 7.668
708 HA LYS 95 HA LYS 95 -3.006 6.985 6.985
709 1HB LYS 95 HB2 LYS 95 -5.037 6.524 6.524
710 2HB LYS 95 HB3 LYS 95 -4.599 8.123 8.123
711 1HG LYS 95 HG2 LYS 95 -3.843 5.615 5.615
712 2HG LYS 95 HG3 LYS 95 -5.398 6.393 6.393
713 1HD LYS 95 HD2 LYS 95 -4.503 8.156 8.156
714 2HD LYS 95 HD3 LYS 95 -3.119 8.289 8.289
715 1HE LYS 95 HE2 LYS 95 -1.799 7.038 7.038
716 2HE LYS 95 HE3 LYS 95 -3.027 5.802 5.802
717 1HZ LYS 95 HZ2 LYS 95 -3.852 8.100 8.100
718 2HZ LYS 95 HZ3 LYS 95 -2.321 7.769 7.769
719 3HZ LYS 95 HZ1 LYS 95 -3.488 6.637 6.637
720 H MET 96 HN MET 96 -3.015 4.725 4.725
721 HA MET 96 HA MET 96 -1.858 3.119 3.119
722 1HB MET 96 HB2 MET 96 -0.351 2.162 2.162
723 2HB MET 96 HB3 MET 96 0.218 3.463 3.463
724 1HG MET 96 HG2 MET 96 0.135 4.984 4.984
725 2HG MET 96 HG3 MET 96 -1.474 4.484 4.484
726 1HE MET 96 HE1 MET 96 2.015 4.620 4.620
727 2HE MET 96 HE2 MET 96 1.542 4.952 4.952
728 3HE MET 96 HE3 MET 96 2.500 3.503 3.503
729 H HIS 97 HN HIS 97 -1.408 0.755 0.755
730 HA HIS 97 HA HIS 97 -3.981 0.315 0.315
731 1HB HIS 97 HB2 HIS 97 -3.022 -0.824 -0.824
732 2HB HIS 97 HB3 HIS 97 -3.271 -2.086 -2.086
733 HD1 HIS 97 HD1 HIS 97 -5.294 -2.862 -2.862
734 HD2 HIS 97 HD2 HIS 97 -5.790 0.836 0.836
735 HE1 HIS 97 HE1 HIS 97 -7.775 -2.293 -2.293
736 H ILE 98 HN ILE 98 -3.814 -0.670 -0.670
737 HA ILE 98 HA ILE 98 -1.418 -2.246 -2.246
738 HB ILE 98 HB ILE 98 -0.892 -1.108 -1.108
739 1HG1 ILE 98 HG12 ILE 98 -3.490 0.345 0.345
740 2HG1 ILE 98 HG13 ILE 98 -2.927 -0.512 -0.512
741 1HG2 ILE 98 HG22 ILE 98 -0.378 -0.091 -0.091
742 2HG2 ILE 98 HG23 ILE 98 -1.294 1.274 1.274
743 3HG2 ILE 98 HG21 ILE 98 0.166 0.682 0.682
744 1HD1 ILE 98 HD11 ILE 98 -1.134 1.705 1.705
745 2HD1 ILE 98 HD12 ILE 98 -2.784 2.235 2.235
746 3HD1 ILE 98 HD13 ILE 98 -1.827 1.312 1.312
747 H THR 99 HN THR 99 -1.738 -3.920 -3.920
748 HA THR 99 HA THR 99 -4.363 -4.085 -4.085
749 HB THR 99 HB THR 99 -4.189 -6.611 -6.611
750 HG1 THR 99 HG1 THR 99 -3.007 -6.502 -6.502
751 1HG2 THR 99 HG21 THR 99 -5.678 -4.215 -4.215
752 2HG2 THR 99 HG22 THR 99 -5.203 -5.021 -5.021
753 3HG2 THR 99 HG23 THR 99 -6.141 -5.909 -5.909
754 H LEU 100 HN LEU 100 -4.463 -6.066 -6.066
755 HA LEU 100 HA LEU 100 -2.294 -5.884 -5.884
756 1HB LEU 100 HB2 LEU 100 -3.557 -7.115 -7.115
757 2HB LEU 100 HB3 LEU 100 -4.808 -6.558 -6.558
758 HG LEU 100 HG LEU 100 -3.457 -9.221 -9.221
759 1HD1 LEU 100 HD12 LEU 100 -5.655 -8.536 -8.536
760 2HD1 LEU 100 HD13 LEU 100 -5.523 -10.155 -10.155
761 3HD1 LEU 100 HD11 LEU 100 -4.187 -9.510 -9.510
762 1HD2 LEU 100 HD21 LEU 100 -5.435 -7.741 -7.741
763 2HD2 LEU 100 HD22 LEU 100 -4.830 -9.381 -9.381
764 3HD2 LEU 100 HD23 LEU 100 -6.238 -9.153 -9.153
765 H CYS 101 HN CYS 101 -3.290 -8.446 -8.446
766 HA CYS 101 HA CYS 101 -1.202 -10.177 -10.177
767 1HB CYS 101 HB2 CYS 101 -3.404 -10.224 -10.224
768 2HB CYS 101 HB3 CYS 101 -2.091 -10.182 -10.182
769 H ASP 102 HN ASP 102 -1.316 -7.084 -7.084
770 HA ASP 102 HA ASP 102 1.050 -7.586 -7.586
771 1HB ASP 102 HB2 ASP 102 -1.048 -5.970 -5.970
772 2HB ASP 102 HB3 ASP 102 -0.094 -4.829 -4.829
773 H PHE 103 HN PHE 103 2.892 -5.823 -5.823
774 HA PHE 103 HA PHE 103 3.778 -5.896 -5.896
775 1HB PHE 103 HB2 PHE 103 5.364 -5.959 -5.959
776 2HB PHE 103 HB3 PHE 103 4.616 -4.580 -4.580
777 HD1 PHE 103 HD2 PHE 103 5.124 -4.336 -4.336
778 HD2 PHE 103 HD1 PHE 103 6.904 -3.632 -3.632
779 HE1 PHE 103 HE2 PHE 103 6.807 -2.816 -2.816
780 HE2 PHE 103 HE1 PHE 103 8.587 -2.111 -2.111
781 HZ PHE 103 HZ PHE 103 8.519 -1.721 -1.721
782 H ILE 104 HN ILE 104 3.124 -4.580 -4.580
783 HA ILE 104 HA ILE 104 3.119 -1.768 -1.768
784 HB ILE 104 HB ILE 104 0.648 -1.614 -1.614
785 1HG1 ILE 104 HG12 ILE 104 0.542 -4.247 -4.247
786 2HG1 ILE 104 HG13 ILE 104 0.370 -4.085 -4.085
787 1HG2 ILE 104 HG22 ILE 104 1.951 -1.186 -1.186
788 2HG2 ILE 104 HG23 ILE 104 0.654 -2.299 -2.299
789 3HG2 ILE 104 HG21 ILE 104 0.252 -0.773 -0.773
790 1HD1 ILE 104 HD12 ILE 104 -1.550 -2.441 -2.441
791 2HD1 ILE 104 HD13 ILE 104 -1.456 -2.943 -2.943
792 3HD1 ILE 104 HD11 ILE 104 -1.862 -4.135 -4.135
793 H VAL 105 HN VAL 105 3.684 -0.860 -0.860
794 HA VAL 105 HA VAL 105 2.866 -2.148 -2.148
795 HB VAL 105 HB VAL 105 5.555 -1.787 -1.787
796 1HG1 VAL 105 HG12 VAL 105 3.641 -3.982 -3.982
797 2HG1 VAL 105 HG13 VAL 105 5.299 -4.502 -4.502
798 3HG1 VAL 105 HG11 VAL 105 4.957 -3.705 -3.705
799 1HG2 VAL 105 HG22 VAL 105 5.206 -2.999 -2.999
800 2HG2 VAL 105 HG23 VAL 105 6.137 -1.545 -1.545
801 3HG2 VAL 105 HG21 VAL 105 6.681 -3.149 -3.149
802 HA PRO 106 HA PRO 106 3.000 1.973 1.973
803 1HB PRO 106 HB2 PRO 106 3.290 1.743 1.743
804 2HB PRO 106 HB3 PRO 106 1.760 1.517 1.517
805 1HG PRO 106 HG2 PRO 106 3.562 -0.522 -0.522
806 2HG PRO 106 HG3 PRO 106 1.871 -0.671 -0.671
807 1HD PRO 106 HD2 PRO 106 4.116 -1.674 -1.674
808 2HD PRO 106 HD3 PRO 106 2.434 -1.721 -1.721
809 H TRP 107 HN TRP 107 5.646 0.341 0.341
810 HA TRP 107 HA TRP 107 7.772 0.954 0.954
811 1HB TRP 107 HB2 TRP 107 6.822 3.188 3.188
812 2HB TRP 107 HB3 TRP 107 6.977 3.670 3.670
813 HD1 TRP 107 HD1 TRP 107 9.505 2.043 2.043
814 HE1 TRP 107 HE1 TRP 107 11.830 3.285 3.285
815 HE3 TRP 107 HE3 TRP 107 8.134 5.412 5.412
816 HZ2 TRP 107 HZ2 TRP 107 12.814 5.487 5.487
817 HZ3 TRP 107 HZ3 TRP 107 9.838 7.074 7.074
818 HH2 TRP 107 HH2 TRP 107 12.109 7.147 7.147
819 H ASP 108 HN ASP 108 6.363 2.559 2.559
820 HA ASP 108 HA ASP 108 8.602 1.978 1.978
821 1HB ASP 108 HB2 ASP 108 6.822 3.753 3.753
822 2HB ASP 108 HB3 ASP 108 5.736 2.472 2.472
823 H THR 109 HN THR 109 8.157 -0.450 -0.450
824 HA THR 109 HA THR 109 7.539 -2.144 -2.144
825 HB THR 109 HB THR 109 5.764 -3.392 -3.392
826 HG1 THR 109 HG1 THR 109 5.996 -2.260 -2.260
827 1HG2 THR 109 HG22 THR 109 5.219 -1.847 -1.847
828 2HG2 THR 109 HG23 THR 109 4.955 -0.560 -0.560
829 3HG2 THR 109 HG21 THR 109 3.936 -2.019 -2.019
830 H LEU 110 HN LEU 110 7.912 -2.065 -2.065
831 HA LEU 110 HA LEU 110 8.790 -4.003 -4.003
832 1HB LEU 110 HB2 LEU 110 11.028 -2.146 -2.146
833 2HB LEU 110 HB3 LEU 110 11.022 -3.218 -3.218
834 HG LEU 110 HG LEU 110 9.059 -0.940 -0.940
835 1HD1 LEU 110 HD13 LEU 110 11.586 -0.362 -0.362
836 2HD1 LEU 110 HD11 LEU 110 11.373 -0.847 -0.847
837 3HD1 LEU 110 HD12 LEU 110 10.399 0.481 0.481
838 1HD2 LEU 110 HD23 LEU 110 9.017 -3.147 -3.147
839 2HD2 LEU 110 HD21 LEU 110 8.018 -1.676 -1.676
840 3HD2 LEU 110 HD22 LEU 110 9.545 -1.764 -1.764
841 H SER 111 HN SER 111 11.829 -3.581 -3.581
842 HA SER 111 HA SER 111 11.979 -4.935 -4.935
843 1HB SER 111 HB2 SER 111 11.030 -6.880 -6.880
844 2HB SER 111 HB3 SER 111 12.225 -7.460 -7.460
845 HG SER 111 HG SER 111 9.583 -6.439 -6.439
846 H THR 112 HN THR 112 12.958 -5.284 -5.284
847 HA THR 112 HA THR 112 15.433 -4.340 -4.340
848 HB THR 112 HB THR 112 15.302 -6.940 -6.940
849 HG1 THR 112 HG1 THR 112 17.205 -5.808 -5.808
850 1HG2 THR 112 HG22 THR 112 17.389 -6.325 -6.325
851 2HG2 THR 112 HG23 THR 112 17.798 -7.275 -7.275
852 3HG2 THR 112 HG21 THR 112 16.563 -7.870 -7.870
853 H THR 113 HN THR 113 14.308 -7.680 -7.680
854 HA THR 113 HA THR 113 15.481 -7.750 -7.750
855 HB THR 113 HB THR 113 13.014 -9.011 -9.011
856 HG1 THR 113 HG1 THR 113 15.594 -9.900 -9.900
857 1HG2 THR 113 HG22 THR 113 12.944 -8.772 -8.772
858 2HG2 THR 113 HG23 THR 113 14.199 -10.032 -10.032
859 3HG2 THR 113 HG21 THR 113 12.588 -10.337 -10.337
860 H GLN 114 HN GLN 114 12.762 -5.817 -5.817
861 HA GLN 114 HA GLN 114 11.880 -5.403 -5.403
862 1HB GLN 114 HB2 GLN 114 10.942 -4.610 -4.610
863 2HB GLN 114 HB3 GLN 114 10.468 -3.575 -3.575
864 1HG GLN 114 HG2 GLN 114 8.744 -5.063 -5.063
865 2HG GLN 114 HG3 GLN 114 9.928 -6.029 -6.029
866 1HE2 GLN 114 HE22 GLN 114 10.701 -8.084 -8.084
867 2HE2 GLN 114 HE21 GLN 114 11.523 -7.104 -7.104
868 H LYS 115 HN LYS 115 13.800 -3.768 -3.768
869 HA LYS 115 HA LYS 115 13.905 -1.272 -1.272
870 1HB LYS 115 HB2 LYS 115 15.005 -2.501 -2.501
871 2HB LYS 115 HB3 LYS 115 16.095 -1.358 -1.358
872 1HG LYS 115 HG2 LYS 115 14.669 0.453 0.453
873 2HG LYS 115 HG3 LYS 115 13.218 -0.522 -0.522
874 1HD LYS 115 HD2 LYS 115 15.112 -0.344 -0.344
875 2HD LYS 115 HD3 LYS 115 13.443 0.190 0.190
876 1HE LYS 115 HE2 LYS 115 12.916 -2.333 -2.333
877 2HE LYS 115 HE3 LYS 115 14.510 -2.650 -2.650
878 1HZ LYS 115 HZ3 LYS 115 13.669 -1.251 -1.251
879 2HZ LYS 115 HZ1 LYS 115 12.177 -1.569 -1.569
880 3HZ LYS 115 HZ2 LYS 115 13.156 -2.796 -2.796
881 H LYS 116 HN LYS 116 15.966 -4.223 -4.223
882 HA LYS 116 HA LYS 116 18.078 -3.140 -3.140
883 1HB LYS 116 HB2 LYS 116 18.911 -5.327 -5.327
884 2HB LYS 116 HB3 LYS 116 18.022 -5.259 -5.259
885 1HG LYS 116 HG2 LYS 116 16.928 -7.119 -7.119
886 2HG LYS 116 HG3 LYS 116 16.043 -6.045 -6.045
887 1HD LYS 116 HD2 LYS 116 18.719 -6.864 -6.864
888 2HD LYS 116 HD3 LYS 116 17.578 -8.181 -8.181
889 1HE LYS 116 HE2 LYS 116 16.530 -7.539 -7.539
890 2HE LYS 116 HE3 LYS 116 16.134 -5.995 -5.995
891 1HZ LYS 116 HZ2 LYS 116 18.471 -5.348 -5.348
892 2HZ LYS 116 HZ3 LYS 116 18.511 -6.678 -6.678
893 3HZ LYS 116 HZ1 LYS 116 17.412 -5.505 -5.505
894 H SER 117 HN SER 117 14.826 -3.990 -3.990
895 HA SER 117 HA SER 117 15.563 -4.342 -4.342
896 1HB SER 117 HB2 SER 117 13.533 -5.404 -5.404
897 2HB SER 117 HB3 SER 117 12.683 -4.225 -4.225
898 HG SER 117 HG SER 117 13.485 -5.245 -5.245
899 H LEU 118 HN LEU 118 14.764 -1.847 -1.847
900 HA LEU 118 HA LEU 118 13.215 -0.206 -0.206
901 1HB LEU 118 HB2 LEU 118 14.774 0.262 0.262
902 2HB LEU 118 HB3 LEU 118 13.967 1.567 1.567
903 HG LEU 118 HG LEU 118 12.663 -0.886 -0.886
904 1HD1 LEU 118 HD11 LEU 118 13.329 1.703 1.703
905 2HD1 LEU 118 HD12 LEU 118 11.560 1.508 1.508
906 3HD1 LEU 118 HD13 LEU 118 12.565 0.312 0.312
907 1HD2 LEU 118 HD23 LEU 118 11.487 1.331 1.331
908 2HD2 LEU 118 HD21 LEU 118 11.422 -0.426 -0.426
909 3HD2 LEU 118 HD22 LEU 118 10.513 0.297 0.297
910 H ASN 119 HN ASN 119 16.672 -0.858 -0.858
911 HA ASN 119 HA ASN 119 17.309 1.434 1.434
912 1HB ASN 119 HB2 ASN 119 19.656 0.881 0.881
913 2HB ASN 119 HB3 ASN 119 18.726 0.858 0.858
914 1HD2 ASN 119 HD22 ASN 119 19.192 -2.505 -2.505
915 2HD2 ASN 119 HD21 ASN 119 18.458 -0.984 -0.984
916 H HIS 120 HN HIS 120 15.955 -1.396 -1.396
917 HA HIS 120 HA HIS 120 17.864 -2.268 -2.268
918 1HB HIS 120 HB2 HIS 120 15.870 -3.555 -3.555
919 2HB HIS 120 HB3 HIS 120 15.546 -3.886 -3.886
920 HD1 HIS 120 HD1 HIS 120 18.757 -3.807 -3.807
921 HD2 HIS 120 HD2 HIS 120 16.799 -6.186 -6.186
922 HE1 HIS 120 HE1 HIS 120 20.256 -5.835 -5.835
923 H ARG 121 HN ARG 121 15.969 0.254 0.254
924 HA ARG 121 HA ARG 121 14.776 1.414 1.414
925 1HB ARG 121 HB2 ARG 121 16.276 -0.368 -0.368
926 2HB ARG 121 HB3 ARG 121 15.108 0.789 0.789
927 1HG ARG 121 HG2 ARG 121 17.117 1.797 1.797
928 2HG ARG 121 HG3 ARG 121 17.710 1.427 1.427
929 1HD ARG 121 HD2 ARG 121 15.262 3.189 3.189
930 2HD ARG 121 HD3 ARG 121 16.885 3.844 3.844
931 HE ARG 121 HE ARG 121 16.374 2.144 2.144
932 1HH1 ARG 121 HH22 ARG 121 15.694 5.341 5.341
933 2HH1 ARG 121 HH21 ARG 121 15.460 6.066 6.066
934 1HH2 ARG 121 HH12 ARG 121 16.066 3.100 3.100
935 2HH2 ARG 121 HH11 ARG 121 15.674 4.783 4.783
936 H TYR 122 HN TYR 122 14.582 -1.454 -1.454
937 HA TYR 122 HA TYR 122 11.908 -2.066 -2.066
938 1HB TYR 122 HB2 TYR 122 11.257 -0.513 -0.513
939 2HB TYR 122 HB3 TYR 122 12.752 -0.717 -0.717
940 HD1 TYR 122 HD2 TYR 122 9.716 -2.732 -2.732
941 HD2 TYR 122 HD1 TYR 122 12.639 -1.781 -1.781
942 HE1 TYR 122 HE2 TYR 122 8.529 -4.247 -4.247
943 HE2 TYR 122 HE1 TYR 122 11.442 -3.300 -3.300
944 HH TYR 122 HH TYR 122 8.784 -4.090 -4.090
945 H GLN 123 HN GLN 123 12.690 -4.128 -4.128
946 HA GLN 123 HA GLN 123 13.243 -6.211 -6.211
947 1HB GLN 123 HB2 GLN 123 11.313 -6.358 -6.358
948 2HB GLN 123 HB3 GLN 123 12.234 -5.742 -5.742
949 1HG GLN 123 HG2 GLN 123 13.704 -7.984 -7.984
950 2HG GLN 123 HG3 GLN 123 12.023 -8.481 -8.481
951 1HE2 GLN 123 HE22 GLN 123 13.869 -8.981 -8.981
952 2HE2 GLN 123 HE21 GLN 123 14.341 -9.233 -9.233
953 H MET 124 HN MET 124 15.455 -4.731 -4.731
954 HA MET 124 HA MET 124 17.058 -4.867 -4.867
955 1HB MET 124 HB2 MET 124 17.200 -3.908 -3.908
956 2HB MET 124 HB3 MET 124 18.676 -4.777 -4.777
957 1HG MET 124 HG2 MET 124 17.792 -2.948 -2.948
958 2HG MET 124 HG3 MET 124 18.178 -2.127 -2.127
959 1HE MET 124 HE1 MET 124 19.551 -1.006 -1.006
960 2HE MET 124 HE2 MET 124 21.246 -1.156 -1.156
961 3HE MET 124 HE3 MET 124 20.755 -1.741 -1.741
962 H GLY 125 HN GLY 125 16.173 -7.367 -7.367
963 1HA GLY 125 HA1 GLY 125 16.786 -9.526 -9.526
964 2HA GLY 125 HA2 GLY 125 18.441 -8.982 -8.982
965 H CYS 126 HN CYS 126 15.980 -8.204 -8.204
966 HA CYS 126 HA CYS 126 17.532 -9.243 -9.243
967 1HB CYS 126 HB2 CYS 126 15.956 -8.421 -8.421
968 2HB CYS 126 HB3 CYS 126 15.577 -7.494 -7.494
969 H GLU 127 HN GLU 127 15.738 -10.761 -10.761
970 HA GLU 127 HA GLU 127 14.476 -12.814 -12.814
971 1HB GLU 127 HB2 GLU 127 16.793 -13.384 -13.384
972 2HB GLU 127 HB3 GLU 127 17.296 -13.563 -13.563
973 1HG GLU 127 HG2 GLU 127 16.789 -15.782 -15.782
974 2HG GLU 127 HG3 GLU 127 15.328 -15.278 -15.278
Start of MODEL 20
1 H CYS 1 HN CYS 1 -7.195 -11.661 -11.661
2 HA CYS 1 HA CYS 1 -7.896 -9.271 -9.271
3 1HB CYS 1 HB2 CYS 1 -9.826 -11.095 -11.095
4 2HB CYS 1 HB3 CYS 1 -10.302 -10.210 -10.210
5 H SER 2 HN SER 2 -7.995 -9.713 -9.713
6 HA SER 2 HA SER 2 -7.652 -10.808 -10.808
7 1HB SER 2 HB2 SER 2 -8.920 -13.338 -13.338
8 2HB SER 2 HB3 SER 2 -9.551 -11.945 -11.945
9 HG SER 2 HG SER 2 -10.354 -11.119 -11.119
10 H CYS 3 HN CYS 3 -5.903 -11.391 -11.391
11 HA CYS 3 HA CYS 3 -5.010 -14.060 -14.060
12 1HB CYS 3 HB2 CYS 3 -4.549 -13.453 -13.453
13 2HB CYS 3 HB3 CYS 3 -4.337 -11.760 -11.760
14 H SER 4 HN SER 4 -2.657 -14.536 -14.536
15 HA SER 4 HA SER 4 -2.140 -13.150 -13.150
16 1HB SER 4 HB2 SER 4 -0.544 -14.914 -14.914
17 2HB SER 4 HB3 SER 4 -1.979 -15.653 -15.653
18 HG SER 4 HG SER 4 0.430 -14.991 -14.991
19 HA PRO 5 HA PRO 5 0.753 -10.570 -10.570
20 1HB PRO 5 HB2 PRO 5 1.148 -8.782 -8.782
21 2HB PRO 5 HB3 PRO 5 -0.157 -8.640 -8.640
22 1HG PRO 5 HG2 PRO 5 -0.275 -9.515 -9.515
23 2HG PRO 5 HG3 PRO 5 -1.578 -8.965 -8.965
24 1HD PRO 5 HD2 PRO 5 -1.001 -11.676 -11.676
25 2HD PRO 5 HD3 PRO 5 -2.231 -11.135 -11.135
26 H VAL 6 HN VAL 6 2.448 -11.962 -11.962
27 HA VAL 6 HA VAL 6 4.311 -12.022 -12.022
28 HB VAL 6 HB VAL 6 3.225 -14.192 -14.192
29 1HG1 VAL 6 HG13 VAL 6 3.959 -13.444 -13.444
30 2HG1 VAL 6 HG11 VAL 6 4.675 -15.018 -15.018
31 3HG1 VAL 6 HG12 VAL 6 2.916 -14.773 -14.773
32 1HG2 VAL 6 HG23 VAL 6 6.075 -13.625 -13.625
33 2HG2 VAL 6 HG21 VAL 6 5.106 -14.887 -14.887
34 3HG2 VAL 6 HG22 VAL 6 5.762 -15.167 -15.167
35 H HIS 7 HN HIS 7 5.941 -13.496 -13.496
36 HA HIS 7 HA HIS 7 7.760 -12.809 -12.809
37 1HB HIS 7 HB2 HIS 7 7.000 -11.093 -11.093
38 2HB HIS 7 HB3 HIS 7 6.614 -12.802 -12.802
39 HD1 HIS 7 HD1 HIS 7 4.197 -13.343 -13.343
40 HD2 HIS 7 HD2 HIS 7 4.745 -9.521 -9.521
41 HE1 HIS 7 HE1 HIS 7 1.880 -12.284 -12.284
42 HA PRO 8 HA PRO 8 8.624 -9.079 -9.079
43 1HB PRO 8 HB2 PRO 8 10.997 -9.911 -9.911
44 2HB PRO 8 HB3 PRO 8 9.456 -10.117 -10.117
45 1HG PRO 8 HG2 PRO 8 11.107 -12.140 -12.140
46 2HG PRO 8 HG3 PRO 8 9.813 -12.384 -12.384
47 1HD PRO 8 HD2 PRO 8 9.660 -12.727 -12.727
48 2HD PRO 8 HD3 PRO 8 8.340 -12.859 -12.859
49 H GLN 9 HN GLN 9 10.206 -10.785 -10.785
50 HA GLN 9 HA GLN 9 11.682 -8.335 -8.335
51 1HB GLN 9 HB2 GLN 9 13.196 -10.199 -10.199
52 2HB GLN 9 HB3 GLN 9 12.512 -11.205 -11.205
53 1HG GLN 9 HG2 GLN 9 14.030 -10.348 -10.348
54 2HG GLN 9 HG3 GLN 9 13.235 -8.793 -8.793
55 1HE2 GLN 9 HE22 GLN 9 15.432 -7.558 -7.558
56 2HE2 GLN 9 HE21 GLN 9 13.751 -7.674 -7.674
57 H GLN 10 HN GLN 10 9.902 -11.197 -11.197
58 HA GLN 10 HA GLN 10 10.032 -10.436 -10.436
59 1HB GLN 10 HB2 GLN 10 7.689 -11.978 -11.978
60 2HB GLN 10 HB3 GLN 10 8.512 -12.201 -12.201
61 1HG GLN 10 HG2 GLN 10 10.616 -12.741 -12.741
62 2HG GLN 10 HG3 GLN 10 9.384 -13.064 -13.064
63 1HE2 GLN 10 HE22 GLN 10 8.303 -16.102 -16.102
64 2HE2 GLN 10 HE21 GLN 10 8.144 -14.848 -14.848
65 H ALA 11 HN ALA 11 8.595 -8.840 -8.840
66 HA ALA 11 HA ALA 11 6.208 -7.990 -7.990
67 1HB ALA 11 HB2 ALA 11 7.407 -7.808 -7.808
68 2HB ALA 11 HB3 ALA 11 6.568 -6.325 -6.325
69 3HB ALA 11 HB1 ALA 11 5.696 -7.876 -7.876
70 H PHE 12 HN PHE 12 9.517 -6.790 -6.790
71 HA PHE 12 HA PHE 12 8.908 -4.250 -4.250
72 1HB PHE 12 HB2 PHE 12 11.405 -5.606 -5.606
73 2HB PHE 12 HB3 PHE 12 11.433 -3.969 -3.969
74 HD1 PHE 12 HD1 PHE 12 9.001 -5.790 -5.790
75 HD2 PHE 12 HD2 PHE 12 11.627 -2.485 -2.485
76 HE1 PHE 12 HE1 PHE 12 8.274 -4.920 -4.920
77 HE2 PHE 12 HE2 PHE 12 10.900 -1.615 -1.615
78 HZ PHE 12 HZ PHE 12 9.233 -2.843 -2.843
79 H CYS 13 HN CYS 13 9.488 -7.313 -7.313
80 HA CYS 13 HA CYS 13 11.150 -6.320 -6.320
81 1HB CYS 13 HB2 CYS 13 10.767 -9.018 -9.018
82 2HB CYS 13 HB3 CYS 13 11.176 -8.923 -8.923
83 H ASN 14 HN ASN 14 7.951 -7.089 -7.089
84 HA ASN 14 HA ASN 14 7.134 -7.795 -7.795
85 1HB ASN 14 HB2 ASN 14 6.223 -8.476 -8.476
86 2HB ASN 14 HB3 ASN 14 4.936 -7.534 -7.534
87 1HD2 ASN 14 HD22 ASN 14 5.682 -11.365 -11.365
88 2HD2 ASN 14 HD21 ASN 14 6.507 -10.524 -10.524
89 H ALA 15 HN ALA 15 6.728 -5.353 -5.353
90 HA ALA 15 HA ALA 15 4.727 -3.815 -3.815
91 1HB ALA 15 HB1 ALA 15 7.129 -3.010 -3.010
92 2HB ALA 15 HB2 ALA 15 5.678 -2.012 -2.012
93 3HB ALA 15 HB3 ALA 15 5.548 -3.564 -3.564
94 H ASP 16 HN ASP 16 5.152 -1.432 -1.432
95 HA ASP 16 HA ASP 16 7.472 -1.301 -1.301
96 1HB ASP 16 HB2 ASP 16 4.656 -1.656 -1.656
97 2HB ASP 16 HB3 ASP 16 5.599 -0.439 -0.439
98 H VAL 17 HN VAL 17 5.849 0.016 0.016
99 HA VAL 17 HA VAL 17 6.500 2.693 2.693
100 HB VAL 17 HB VAL 17 4.469 2.692 2.692
101 1HG1 VAL 17 HG11 VAL 17 3.231 1.355 1.355
102 2HG1 VAL 17 HG12 VAL 17 2.285 2.054 2.054
103 3HG1 VAL 17 HG13 VAL 17 3.396 0.697 0.697
104 1HG2 VAL 17 HG22 VAL 17 4.889 4.646 4.646
105 2HG2 VAL 17 HG23 VAL 17 3.162 4.377 4.377
106 3HG2 VAL 17 HG21 VAL 17 3.847 3.892 3.892
107 H VAL 18 HN VAL 18 7.820 2.410 2.410
108 HA VAL 18 HA VAL 18 6.358 1.939 1.939
109 HB VAL 18 HB VAL 18 9.314 2.237 2.237
110 1HG1 VAL 18 HG12 VAL 18 7.272 1.067 1.067
111 2HG1 VAL 18 HG13 VAL 18 8.546 -0.116 -0.116
112 3HG1 VAL 18 HG11 VAL 18 8.974 1.445 1.445
113 1HG2 VAL 18 HG22 VAL 18 8.739 0.935 0.935
114 2HG2 VAL 18 HG23 VAL 18 9.716 0.037 0.037
115 3HG2 VAL 18 HG21 VAL 18 7.971 -0.284 -0.284
116 H ILE 19 HN ILE 19 5.693 3.661 3.661
117 HA ILE 19 HA ILE 19 7.414 5.993 5.993
118 HB ILE 19 HB ILE 19 5.731 7.547 7.547
119 1HG1 ILE 19 HG12 ILE 19 3.909 5.200 5.200
120 2HG1 ILE 19 HG13 ILE 19 3.672 6.862 6.862
121 1HG2 ILE 19 HG21 ILE 19 7.079 6.371 6.371
122 2HG2 ILE 19 HG22 ILE 19 5.630 5.389 5.389
123 3HG2 ILE 19 HG23 ILE 19 5.574 7.155 7.155
124 1HD1 ILE 19 HD13 ILE 19 3.620 7.466 7.466
125 2HD1 ILE 19 HD11 ILE 19 3.476 5.716 5.716
126 3HD1 ILE 19 HD12 ILE 19 2.223 6.569 6.569
127 H ARG 20 HN ARG 20 7.594 6.668 6.668
128 HA ARG 20 HA ARG 20 6.034 5.334 5.334
129 1HB ARG 20 HB2 ARG 20 8.485 6.038 6.038
130 2HB ARG 20 HB3 ARG 20 7.938 7.696 7.696
131 1HG ARG 20 HG2 ARG 20 6.495 6.978 6.978
132 2HG ARG 20 HG3 ARG 20 7.199 5.377 5.377
133 1HD ARG 20 HD2 ARG 20 8.331 6.851 6.851
134 2HD ARG 20 HD3 ARG 20 9.429 6.231 6.231
135 HE ARG 20 HE ARG 20 9.001 8.510 8.510
136 1HH1 ARG 20 HH22 ARG 20 8.938 8.071 8.071
137 2HH1 ARG 20 HH21 ARG 20 9.392 9.707 9.707
138 1HH2 ARG 20 HH12 ARG 20 9.600 10.668 10.668
139 2HH2 ARG 20 HH11 ARG 20 9.771 11.195 11.195
140 H THR 21 HN THR 21 4.297 6.788 6.788
141 HA THR 21 HA THR 21 3.712 9.379 9.379
142 HB THR 21 HB THR 21 2.966 8.574 8.574
143 HG1 THR 21 HG1 THR 21 1.532 10.010 10.010
144 1HG2 THR 21 HG21 THR 21 2.598 6.111 6.111
145 2HG2 THR 21 HG22 THR 21 0.955 6.728 6.728
146 3HG2 THR 21 HG23 THR 21 1.604 6.687 6.687
147 H LYS 22 HN LYS 22 1.466 9.930 9.930
148 HA LYS 22 HA LYS 22 0.971 8.077 8.077
149 1HB LYS 22 HB2 LYS 22 0.769 9.933 9.933
150 2HB LYS 22 HB3 LYS 22 2.337 10.001 10.001
151 1HG LYS 22 HG2 LYS 22 1.575 11.746 11.746
152 2HG LYS 22 HG3 LYS 22 -0.081 11.577 11.577
153 1HD LYS 22 HD2 LYS 22 2.287 12.744 12.744
154 2HD LYS 22 HD3 LYS 22 0.742 13.497 13.497
155 1HE LYS 22 HE2 LYS 22 -0.325 11.663 11.663
156 2HE LYS 22 HE3 LYS 22 1.303 11.252 11.252
157 1HZ LYS 22 HZ3 LYS 22 0.606 14.046 14.046
158 2HZ LYS 22 HZ1 LYS 22 -0.136 13.074 13.074
159 3HZ LYS 22 HZ2 LYS 22 1.494 13.147 13.147
160 H ALA 23 HN ALA 23 -1.072 7.326 7.326
161 HA ALA 23 HA ALA 23 -3.012 8.765 8.765
162 1HB ALA 23 HB2 ALA 23 -2.650 6.341 6.341
163 2HB ALA 23 HB3 ALA 23 -3.113 6.029 6.029
164 3HB ALA 23 HB1 ALA 23 -4.309 6.683 6.683
165 H VAL 24 HN VAL 24 -3.916 10.456 10.456
166 HA VAL 24 HA VAL 24 -4.731 9.907 9.907
167 HB VAL 24 HB VAL 24 -4.949 12.459 12.459
168 1HG1 VAL 24 HG12 VAL 24 -2.498 10.786 10.786
169 2HG1 VAL 24 HG13 VAL 24 -2.244 12.545 12.545
170 3HG1 VAL 24 HG11 VAL 24 -3.201 11.849 11.849
171 1HG2 VAL 24 HG22 VAL 24 -4.832 12.669 12.669
172 2HG2 VAL 24 HG23 VAL 24 -3.706 13.722 13.722
173 3HG2 VAL 24 HG21 VAL 24 -3.106 12.242 12.242
174 H SER 25 HN SER 25 -5.790 11.029 11.029
175 HA SER 25 HA SER 25 -8.519 10.891 10.891
176 1HB SER 25 HB2 SER 25 -8.413 13.060 13.060
177 2HB SER 25 HB3 SER 25 -7.158 12.690 12.690
178 HG SER 25 HG SER 25 -9.212 13.151 13.151
179 H GLU 26 HN GLU 26 -10.166 10.090 10.090
180 HA GLU 26 HA GLU 26 -8.981 8.424 8.424
181 1HB GLU 26 HB2 GLU 26 -10.593 7.389 7.389
182 2HB GLU 26 HB3 GLU 26 -10.608 6.533 6.533
183 1HG GLU 26 HG2 GLU 26 -8.691 5.515 5.515
184 2HG GLU 26 HG3 GLU 26 -7.880 7.046 7.046
185 H LYS 27 HN LYS 27 -11.158 7.110 7.110
186 HA LYS 27 HA LYS 27 -13.425 8.884 8.884
187 1HB LYS 27 HB2 LYS 27 -11.956 10.008 10.008
188 2HB LYS 27 HB3 LYS 27 -11.692 8.513 8.513
189 1HG LYS 27 HG2 LYS 27 -13.870 8.476 8.476
190 2HG LYS 27 HG3 LYS 27 -14.538 9.435 9.435
191 1HD LYS 27 HD2 LYS 27 -14.196 10.561 10.561
192 2HD LYS 27 HD3 LYS 27 -13.775 11.468 11.468
193 1HE LYS 27 HE2 LYS 27 -11.409 10.968 10.968
194 2HE LYS 27 HE3 LYS 27 -11.735 9.782 9.782
195 1HZ LYS 27 HZ3 LYS 27 -12.892 12.186 12.186
196 2HZ LYS 27 HZ1 LYS 27 -11.355 12.503 12.503
197 3HZ LYS 27 HZ2 LYS 27 -11.652 11.395 11.395
198 H GLU 28 HN GLU 28 -15.087 7.500 7.500
199 HA GLU 28 HA GLU 28 -14.736 4.768 4.768
200 1HB GLU 28 HB2 GLU 28 -16.085 5.338 5.338
201 2HB GLU 28 HB3 GLU 28 -17.102 6.411 6.411
202 1HG GLU 28 HG2 GLU 28 -17.566 4.188 4.188
203 2HG GLU 28 HG3 GLU 28 -17.066 3.392 3.392
204 H VAL 29 HN VAL 29 -14.401 4.520 4.520
205 HA VAL 29 HA VAL 29 -16.481 5.594 5.594
206 HB VAL 29 HB VAL 29 -14.855 4.781 4.781
207 1HG1 VAL 29 HG13 VAL 29 -14.858 7.123 7.123
208 2HG1 VAL 29 HG11 VAL 29 -13.177 6.733 6.733
209 3HG1 VAL 29 HG12 VAL 29 -14.398 6.961 6.961
210 1HG2 VAL 29 HG21 VAL 29 -13.625 3.236 3.236
211 2HG2 VAL 29 HG22 VAL 29 -12.589 4.309 4.309
212 3HG2 VAL 29 HG23 VAL 29 -12.900 4.682 4.682
213 H ASP 30 HN ASP 30 -18.243 4.220 4.220
214 HA ASP 30 HA ASP 30 -18.249 1.610 1.610
215 1HB ASP 30 HB2 ASP 30 -20.113 2.698 2.698
216 2HB ASP 30 HB3 ASP 30 -20.476 1.548 1.548
217 H SER 31 HN SER 31 -18.215 -0.370 -0.370
218 HA SER 31 HA SER 31 -17.423 0.016 0.016
219 1HB SER 31 HB2 SER 31 -15.321 -0.537 -0.537
220 2HB SER 31 HB3 SER 31 -15.934 -1.365 -1.365
221 HG SER 31 HG SER 31 -16.148 -2.426 -2.426
222 H GLY 32 HN GLY 32 -19.938 -0.795 -0.795
223 1HA GLY 32 HA1 GLY 32 -21.675 -2.182 -2.182
224 2HA GLY 32 HA2 GLY 32 -20.845 -2.816 -2.816
225 H ASN 33 HN ASN 33 -22.065 -4.808 -4.808
226 HA ASN 33 HA ASN 33 -20.687 -5.903 -5.903
227 1HB ASN 33 HB2 ASN 33 -22.602 -7.452 -7.452
228 2HB ASN 33 HB3 ASN 33 -22.347 -7.628 -7.628
229 1HD2 ASN 33 HD22 ASN 33 -25.133 -5.101 -5.101
230 2HD2 ASN 33 HD21 ASN 33 -24.158 -6.178 -6.178
231 H ASP 34 HN ASP 34 -19.900 -8.328 -8.328
232 HA ASP 34 HA ASP 34 -18.240 -8.399 -8.399
233 1HB ASP 34 HB2 ASP 34 -17.580 -8.835 -8.835
234 2HB ASP 34 HB3 ASP 34 -18.133 -10.459 -10.459
235 H ILE 35 HN ILE 35 -17.807 -11.298 -11.298
236 HA ILE 35 HA ILE 35 -20.192 -12.097 -12.097
237 HB ILE 35 HB ILE 35 -17.589 -13.540 -13.540
238 1HG1 ILE 35 HG12 ILE 35 -17.210 -12.942 -12.942
239 2HG1 ILE 35 HG13 ILE 35 -18.531 -11.802 -11.802
240 1HG2 ILE 35 HG21 ILE 35 -20.101 -14.331 -14.331
241 2HG2 ILE 35 HG22 ILE 35 -18.608 -14.646 -14.646
242 3HG2 ILE 35 HG23 ILE 35 -18.810 -15.324 -15.324
243 1HD1 ILE 35 HD11 ILE 35 -16.311 -11.751 -11.751
244 2HD1 ILE 35 HD12 ILE 35 -16.045 -11.013 -11.013
245 3HD1 ILE 35 HD13 ILE 35 -17.362 -10.426 -10.426
246 H TYR 36 HN TYR 36 -19.479 -11.856 -11.856
247 HA TYR 36 HA TYR 36 -20.807 -14.393 -14.393
248 1HB TYR 36 HB2 TYR 36 -18.439 -13.338 -13.338
249 2HB TYR 36 HB3 TYR 36 -19.506 -12.457 -12.457
250 HD1 TYR 36 HD1 TYR 36 -19.132 -16.003 -16.003
251 HD2 TYR 36 HD2 TYR 36 -19.774 -13.371 -13.371
252 HE1 TYR 36 HE1 TYR 36 -19.194 -17.994 -17.994
253 HE2 TYR 36 HE2 TYR 36 -19.834 -15.370 -15.370
254 HH TYR 36 HH TYR 36 -20.227 -18.485 -18.485
255 H GLY 37 HN GLY 37 -21.532 -11.203 -11.203
256 1HA GLY 37 HA1 GLY 37 -23.584 -10.216 -10.216
257 2HA GLY 37 HA2 GLY 37 -23.973 -11.363 -11.363
258 H ASN 38 HN ASN 38 -20.917 -10.542 -10.542
259 HA ASN 38 HA ASN 38 -21.863 -8.777 -8.777
260 1HB ASN 38 HB2 ASN 38 -19.310 -8.729 -8.729
261 2HB ASN 38 HB3 ASN 38 -20.140 -10.265 -10.265
262 1HD2 ASN 38 HD22 ASN 38 -16.953 -10.826 -10.826
263 2HD2 ASN 38 HD21 ASN 38 -17.459 -10.224 -10.224
264 HA PRO 39 HA PRO 39 -20.649 -5.062 -5.062
265 1HB PRO 39 HB2 PRO 39 -20.162 -3.404 -3.404
266 2HB PRO 39 HB3 PRO 39 -21.774 -3.762 -3.762
267 1HG PRO 39 HG2 PRO 39 -20.413 -4.772 -4.772
268 2HG PRO 39 HG3 PRO 39 -22.124 -4.769 -4.769
269 1HD PRO 39 HD2 PRO 39 -20.342 -7.013 -7.013
270 2HD PRO 39 HD3 PRO 39 -22.025 -6.983 -6.983
271 H ILE 40 HN ILE 40 -18.943 -4.409 -4.409
272 HA ILE 40 HA ILE 40 -16.417 -5.399 -5.399
273 HB ILE 40 HB ILE 40 -17.269 -3.538 -3.538
274 1HG1 ILE 40 HG12 ILE 40 -16.662 -6.506 -6.506
275 2HG1 ILE 40 HG13 ILE 40 -18.215 -5.753 -5.753
276 1HG2 ILE 40 HG23 ILE 40 -14.567 -4.665 -4.665
277 2HG2 ILE 40 HG21 ILE 40 -14.994 -4.249 -4.249
278 3HG2 ILE 40 HG22 ILE 40 -15.018 -2.994 -2.994
279 1HD1 ILE 40 HD12 ILE 40 -16.722 -4.501 -4.501
280 2HD1 ILE 40 HD13 ILE 40 -15.871 -6.060 -6.060
281 3HD1 ILE 40 HD11 ILE 40 -17.609 -6.018 -6.018
282 H LYS 41 HN LYS 41 -17.008 -1.979 -1.979
283 HA LYS 41 HA LYS 41 -16.469 -0.064 -0.064
284 1HB LYS 41 HB2 LYS 41 -17.764 -0.941 -0.941
285 2HB LYS 41 HB3 LYS 41 -16.285 -1.599 -1.599
286 1HG LYS 41 HG2 LYS 41 -16.811 0.618 0.618
287 2HG LYS 41 HG3 LYS 41 -15.287 0.657 0.657
288 1HD LYS 41 HD2 LYS 41 -16.383 2.627 2.627
289 2HD LYS 41 HD3 LYS 41 -16.656 1.500 1.500
290 1HE LYS 41 HE2 LYS 41 -18.644 1.975 1.975
291 2HE LYS 41 HE3 LYS 41 -18.727 2.782 2.782
292 1HZ LYS 41 HZ1 LYS 41 -18.517 0.218 0.218
293 2HZ LYS 41 HZ2 LYS 41 -19.390 0.089 0.089
294 3HZ LYS 41 HZ3 LYS 41 -19.932 1.020 1.020
295 H ARG 42 HN ARG 42 -14.580 0.957 0.957
296 HA ARG 42 HA ARG 42 -12.183 -0.428 -0.428
297 1HB ARG 42 HB2 ARG 42 -11.348 0.987 0.987
298 2HB ARG 42 HB3 ARG 42 -11.680 -0.733 -0.733
299 1HG ARG 42 HG2 ARG 42 -14.130 -0.171 -0.171
300 2HG ARG 42 HG3 ARG 42 -13.623 1.486 1.486
301 1HD ARG 42 HD2 ARG 42 -11.850 0.434 0.434
302 2HD ARG 42 HD3 ARG 42 -12.874 -0.988 -0.988
303 HE ARG 42 HE ARG 42 -14.409 0.130 0.130
304 1HH1 ARG 42 HH22 ARG 42 -12.401 2.519 2.519
305 2HH1 ARG 42 HH21 ARG 42 -13.098 3.863 3.863
306 1HH2 ARG 42 HH11 ARG 42 -14.775 3.511 3.511
307 2HH2 ARG 42 HH12 ARG 42 -15.329 1.903 1.903
308 H ILE 43 HN ILE 43 -12.746 1.204 1.204
309 HA ILE 43 HA ILE 43 -12.821 3.870 3.870
310 HB ILE 43 HB ILE 43 -11.960 1.903 1.903
311 1HG1 ILE 43 HG12 ILE 43 -13.063 3.661 3.661
312 2HG1 ILE 43 HG13 ILE 43 -13.435 4.539 4.539
313 1HG2 ILE 43 HG22 ILE 43 -10.542 4.570 4.570
314 2HG2 ILE 43 HG23 ILE 43 -10.787 3.631 3.631
315 3HG2 ILE 43 HG21 ILE 43 -9.848 2.937 2.937
316 1HD1 ILE 43 HD11 ILE 43 -14.107 1.696 1.696
317 2HD1 ILE 43 HD12 ILE 43 -14.938 2.441 2.441
318 3HD1 ILE 43 HD13 ILE 43 -15.136 3.128 3.128
319 H GLN 44 HN GLN 44 -11.347 5.639 5.639
320 HA GLN 44 HA GLN 44 -9.043 4.969 4.969
321 1HB GLN 44 HB2 GLN 44 -10.406 7.601 7.601
322 2HB GLN 44 HB3 GLN 44 -8.913 7.529 7.529
323 1HG GLN 44 HG2 GLN 44 -11.648 6.471 6.471
324 2HG GLN 44 HG3 GLN 44 -10.629 7.596 7.596
325 1HE2 GLN 44 HE22 GLN 44 -10.066 3.515 3.515
326 2HE2 GLN 44 HE21 GLN 44 -11.056 4.261 4.261
327 H TYR 45 HN TYR 45 -7.108 6.753 6.753
328 HA TYR 45 HA TYR 45 -6.657 6.728 6.728
329 1HB TYR 45 HB2 TYR 45 -5.228 5.400 5.400
330 2HB TYR 45 HB3 TYR 45 -4.168 6.246 6.246
331 HD1 TYR 45 HD2 TYR 45 -5.797 5.711 5.711
332 HD2 TYR 45 HD1 TYR 45 -4.537 3.167 3.167
333 HE1 TYR 45 HE2 TYR 45 -5.841 3.709 3.709
334 HE2 TYR 45 HE1 TYR 45 -4.586 1.173 1.173
335 HH TYR 45 HH TYR 45 -5.191 1.610 1.610
336 H GLU 46 HN GLU 46 -7.403 9.046 9.046
337 HA GLU 46 HA GLU 46 -5.776 10.659 10.659
338 1HB GLU 46 HB2 GLU 46 -8.195 11.000 11.000
339 2HB GLU 46 HB3 GLU 46 -7.271 11.791 11.791
340 1HG GLU 46 HG2 GLU 46 -6.384 13.431 13.431
341 2HG GLU 46 HG3 GLU 46 -6.838 12.496 12.496
342 H ILE 47 HN ILE 47 -3.669 9.635 9.635
343 HA ILE 47 HA ILE 47 -2.815 10.260 10.260
344 HB ILE 47 HB ILE 47 -0.579 9.704 9.704
345 1HG1 ILE 47 HG12 ILE 47 -1.983 10.011 10.011
346 2HG1 ILE 47 HG13 ILE 47 -0.348 10.443 10.443
347 1HG2 ILE 47 HG23 ILE 47 -2.971 7.991 7.991
348 2HG2 ILE 47 HG21 ILE 47 -1.543 7.390 7.390
349 3HG2 ILE 47 HG22 ILE 47 -1.435 7.743 7.743
350 1HD1 ILE 47 HD13 ILE 47 0.015 7.837 7.837
351 2HD1 ILE 47 HD11 ILE 47 -1.441 7.733 7.733
352 3HD1 ILE 47 HD12 ILE 47 0.006 8.577 8.577
353 H LYS 48 HN LYS 48 -0.306 11.517 11.517
354 HA LYS 48 HA LYS 48 -1.010 14.136 14.136
355 1HB LYS 48 HB2 LYS 48 -1.328 13.775 13.775
356 2HB LYS 48 HB3 LYS 48 0.408 14.013 14.013
357 1HG LYS 48 HG2 LYS 48 -0.528 16.033 16.033
358 2HG LYS 48 HG3 LYS 48 -1.737 15.975 15.975
359 1HD LYS 48 HD2 LYS 48 1.209 16.612 16.612
360 2HD LYS 48 HD3 LYS 48 -0.157 17.485 17.485
361 1HE LYS 48 HE2 LYS 48 -0.382 15.007 15.007
362 2HE LYS 48 HE3 LYS 48 1.355 15.204 15.204
363 1HZ LYS 48 HZ3 LYS 48 0.919 17.509 17.509
364 2HZ LYS 48 HZ1 LYS 48 -0.568 16.971 16.971
365 3HZ LYS 48 HZ2 LYS 48 0.760 16.264 16.264
366 H GLN 49 HN GLN 49 0.839 11.536 11.536
367 HA GLN 49 HA GLN 49 2.881 11.092 11.092
368 1HB GLN 49 HB2 GLN 49 2.680 12.042 12.042
369 2HB GLN 49 HB3 GLN 49 2.066 13.553 13.553
370 1HG GLN 49 HG2 GLN 49 4.247 13.939 13.939
371 2HG GLN 49 HG3 GLN 49 4.379 14.222 14.222
372 1HE2 GLN 49 HE21 GLN 49 4.302 11.260 11.260
373 2HE2 GLN 49 HE22 GLN 49 5.805 10.592 10.592
374 H ILE 50 HN ILE 50 4.648 10.891 10.891
375 HA ILE 50 HA ILE 50 5.696 13.365 13.365
376 HB ILE 50 HB ILE 50 5.571 12.557 12.557
377 1HG1 ILE 50 HG12 ILE 50 6.663 10.011 10.011
378 2HG1 ILE 50 HG13 ILE 50 7.436 11.142 11.142
379 1HG2 ILE 50 HG23 ILE 50 3.354 11.860 11.860
380 2HG2 ILE 50 HG21 ILE 50 3.966 10.201 10.201
381 3HG2 ILE 50 HG22 ILE 50 3.724 11.238 11.238
382 1HD1 ILE 50 HD13 ILE 50 5.003 9.461 9.461
383 2HD1 ILE 50 HD11 ILE 50 6.685 9.007 9.007
384 3HD1 ILE 50 HD12 ILE 50 5.981 10.472 10.472
385 H LYS 51 HN LYS 51 6.231 10.208 10.208
386 HA LYS 51 HA LYS 51 8.890 11.084 11.084
387 1HB LYS 51 HB2 LYS 51 8.700 9.594 9.594
388 2HB LYS 51 HB3 LYS 51 8.883 8.331 8.331
389 1HG LYS 51 HG2 LYS 51 10.988 9.148 9.148
390 2HG LYS 51 HG3 LYS 51 10.704 10.753 10.753
391 1HD LYS 51 HD2 LYS 51 10.563 9.315 9.315
392 2HD LYS 51 HD3 LYS 51 11.642 8.278 8.278
393 1HE LYS 51 HE2 LYS 51 12.957 10.488 10.488
394 2HE LYS 51 HE3 LYS 51 12.049 11.189 11.189
395 1HZ LYS 51 HZ2 LYS 51 12.876 8.991 8.991
396 2HZ LYS 51 HZ3 LYS 51 14.093 9.158 9.158
397 3HZ LYS 51 HZ1 LYS 51 13.775 10.354 10.354
398 H MET 52 HN MET 52 9.887 9.379 9.379
399 HA MET 52 HA MET 52 7.833 7.854 7.854
400 1HB MET 52 HB2 MET 52 7.643 9.967 9.967
401 2HB MET 52 HB3 MET 52 9.382 10.191 10.191
402 1HG MET 52 HG2 MET 52 8.778 7.661 7.661
403 2HG MET 52 HG3 MET 52 7.729 8.884 8.884
404 1HE MET 52 HE1 MET 52 9.877 7.379 7.379
405 2HE MET 52 HE2 MET 52 11.515 8.074 8.074
406 3HE MET 52 HE3 MET 52 10.961 7.184 7.184
407 H PHE 53 HN PHE 53 9.456 6.343 6.343
408 HA PHE 53 HA PHE 53 12.051 6.016 6.016
409 1HB PHE 53 HB2 PHE 53 9.703 4.066 4.066
410 2HB PHE 53 HB3 PHE 53 11.338 3.453 3.453
411 HD1 PHE 53 HD2 PHE 53 12.992 4.996 4.996
412 HD2 PHE 53 HD1 PHE 53 8.927 3.957 3.957
413 HE1 PHE 53 HE2 PHE 53 13.312 5.257 5.257
414 HE2 PHE 53 HE1 PHE 53 9.247 4.217 4.217
415 HZ PHE 53 HZ PHE 53 11.435 4.865 4.865
416 H LYS 54 HN LYS 54 9.753 3.805 3.805
417 HA LYS 54 HA LYS 54 11.241 4.361 4.361
418 1HB LYS 54 HB2 LYS 54 12.070 2.272 2.272
419 2HB LYS 54 HB3 LYS 54 10.458 1.683 1.683
420 1HG LYS 54 HG2 LYS 54 11.410 0.750 0.750
421 2HG LYS 54 HG3 LYS 54 9.888 1.587 1.587
422 1HD LYS 54 HD2 LYS 54 12.259 3.359 3.359
423 2HD LYS 54 HD3 LYS 54 12.225 2.080 2.080
424 1HE LYS 54 HE2 LYS 54 10.555 3.098 3.098
425 2HE LYS 54 HE3 LYS 54 9.561 3.240 3.240
426 1HZ LYS 54 HZ1 LYS 54 11.031 5.159 5.159
427 2HZ LYS 54 HZ2 LYS 54 11.626 5.098 5.098
428 3HZ LYS 54 HZ3 LYS 54 10.039 5.396 5.396
429 H GLY 55 HN GLY 55 9.380 5.971 5.971
430 1HA GLY 55 HA1 GLY 55 7.001 4.589 4.589
431 2HA GLY 55 HA2 GLY 55 6.904 6.046 6.046
432 HA PRO 56 HA PRO 56 7.137 7.526 7.526
433 1HB PRO 56 HB2 PRO 56 5.180 9.422 9.422
434 2HB PRO 56 HB3 PRO 56 4.874 7.785 7.785
435 1HG PRO 56 HG2 PRO 56 4.243 9.019 9.019
436 2HG PRO 56 HG3 PRO 56 3.585 7.559 7.559
437 1HD PRO 56 HD2 PRO 56 5.553 7.719 7.719
438 2HD PRO 56 HD3 PRO 56 4.981 6.264 6.264
439 H GLU 57 HN GLU 57 6.968 10.112 10.112
440 HA GLU 57 HA GLU 57 9.213 11.111 11.111
441 1HB GLU 57 HB2 GLU 57 8.040 12.613 12.613
442 2HB GLU 57 HB3 GLU 57 9.720 12.404 12.404
443 1HG GLU 57 HG2 GLU 57 9.427 9.903 9.903
444 2HG GLU 57 HG3 GLU 57 7.895 10.353 10.353
445 H LYS 58 HN LYS 58 5.777 11.824 11.824
446 HA LYS 58 HA LYS 58 5.940 14.346 14.346
447 1HB LYS 58 HB2 LYS 58 4.479 13.649 13.649
448 2HB LYS 58 HB3 LYS 58 3.357 13.108 13.108
449 1HG LYS 58 HG2 LYS 58 2.658 15.260 15.260
450 2HG LYS 58 HG3 LYS 58 4.194 15.625 15.625
451 1HD LYS 58 HD2 LYS 58 4.053 15.532 15.532
452 2HD LYS 58 HD3 LYS 58 3.401 16.932 16.932
453 1HE LYS 58 HE2 LYS 58 5.947 16.355 16.355
454 2HE LYS 58 HE3 LYS 58 6.176 16.278 16.278
455 1HZ LYS 58 HZ3 LYS 58 5.034 18.443 18.443
456 2HZ LYS 58 HZ1 LYS 58 5.031 18.518 18.518
457 3HZ LYS 58 HZ2 LYS 58 6.447 18.499 18.499
458 H ASP 59 HN ASP 59 3.552 11.648 11.648
459 HA ASP 59 HA ASP 59 4.186 10.596 10.596
460 1HB ASP 59 HB2 ASP 59 4.413 12.616 12.616
461 2HB ASP 59 HB3 ASP 59 3.022 13.354 13.354
462 H ILE 60 HN ILE 60 2.050 9.926 9.926
463 HA ILE 60 HA ILE 60 -0.043 9.531 9.531
464 HB ILE 60 HB ILE 60 0.072 8.105 8.105
465 1HG1 ILE 60 HG12 ILE 60 2.393 8.116 8.116
466 2HG1 ILE 60 HG13 ILE 60 1.682 6.540 6.540
467 1HG2 ILE 60 HG23 ILE 60 -1.833 7.873 7.873
468 2HG2 ILE 60 HG21 ILE 60 -0.685 7.117 7.117
469 3HG2 ILE 60 HG22 ILE 60 -1.019 6.354 6.354
470 1HD1 ILE 60 HD13 ILE 60 1.563 7.971 7.971
471 2HD1 ILE 60 HD11 ILE 60 2.803 6.770 6.770
472 3HD1 ILE 60 HD12 ILE 60 1.092 6.289 6.289
473 H GLU 61 HN GLU 61 -0.012 9.840 9.840
474 HA GLU 61 HA GLU 61 -1.112 11.169 11.169
475 1HB GLU 61 HB2 GLU 61 -1.026 12.755 12.755
476 2HB GLU 61 HB3 GLU 61 -2.608 12.958 12.958
477 1HG GLU 61 HG2 GLU 61 -1.008 13.118 13.118
478 2HG GLU 61 HG3 GLU 61 0.072 13.781 13.781
479 H PHE 62 HN PHE 62 -2.463 9.290 9.290
480 HA PHE 62 HA PHE 62 -4.918 9.038 9.038
481 1HB PHE 62 HB2 PHE 62 -4.542 10.213 10.213
482 2HB PHE 62 HB3 PHE 62 -5.724 8.919 8.919
483 HD1 PHE 62 HD1 PHE 62 -7.781 9.136 9.136
484 HD2 PHE 62 HD2 PHE 62 -4.998 12.325 12.325
485 HE1 PHE 62 HE1 PHE 62 -9.519 10.735 10.735
486 HE2 PHE 62 HE2 PHE 62 -6.736 13.924 13.924
487 HZ PHE 62 HZ PHE 62 -8.975 13.110 13.110
488 H ILE 63 HN ILE 63 -4.415 6.928 6.928
489 HA ILE 63 HA ILE 63 -3.826 5.067 5.067
490 HB ILE 63 HB ILE 63 -3.512 4.358 4.358
491 1HG1 ILE 63 HG12 ILE 63 -2.391 6.708 6.708
492 2HG1 ILE 63 HG13 ILE 63 -1.831 5.752 5.752
493 1HG2 ILE 63 HG23 ILE 63 -2.260 3.565 3.565
494 2HG2 ILE 63 HG21 ILE 63 -1.470 3.203 3.203
495 3HG2 ILE 63 HG22 ILE 63 -3.091 2.555 2.555
496 1HD1 ILE 63 HD13 ILE 63 -0.911 5.184 5.184
497 2HD1 ILE 63 HD11 ILE 63 -0.073 6.344 6.344
498 3HD1 ILE 63 HD12 ILE 63 -0.174 4.628 4.628
499 H TYR 64 HN TYR 64 -4.798 2.790 2.790
500 HA TYR 64 HA TYR 64 -7.543 3.139 3.139
501 1HB TYR 64 HB2 TYR 64 -6.292 1.647 1.647
502 2HB TYR 64 HB3 TYR 64 -7.934 1.327 1.327
503 HD1 TYR 64 HD1 TYR 64 -5.878 4.408 4.408
504 HD2 TYR 64 HD2 TYR 64 -9.546 2.309 2.309
505 HE1 TYR 64 HE1 TYR 64 -6.716 6.319 6.319
506 HE2 TYR 64 HE2 TYR 64 -10.370 4.227 4.227
507 HH TYR 64 HH TYR 64 -8.746 6.219 6.219
508 H THR 65 HN THR 65 -8.533 1.292 1.292
509 HA THR 65 HA THR 65 -7.119 -1.150 -1.150
510 HB THR 65 HB THR 65 -5.720 0.306 0.306
511 HG1 THR 65 HG1 THR 65 -6.422 -1.984 -1.984
512 1HG2 THR 65 HG23 THR 65 -8.450 0.927 0.927
513 2HG2 THR 65 HG21 THR 65 -7.037 0.853 0.853
514 3HG2 THR 65 HG22 THR 65 -7.070 2.022 2.022
515 H ALA 66 HN ALA 66 -8.264 -1.928 -1.928
516 HA ALA 66 HA ALA 66 -11.086 -1.902 -1.902
517 1HB ALA 66 HB2 ALA 66 -9.203 -3.975 -3.975
518 2HB ALA 66 HB3 ALA 66 -10.688 -3.974 -3.974
519 3HB ALA 66 HB1 ALA 66 -10.790 -4.135 -4.135
520 HA PRO 67 HA PRO 67 -12.038 0.067 0.067
521 1HB PRO 67 HB2 PRO 67 -14.631 -0.704 -0.704
522 2HB PRO 67 HB3 PRO 67 -14.167 0.572 0.572
523 1HG PRO 67 HG2 PRO 67 -15.023 -2.191 -2.191
524 2HG PRO 67 HG3 PRO 67 -14.969 -0.800 -0.800
525 1HD PRO 67 HD2 PRO 67 -13.106 -2.980 -2.980
526 2HD PRO 67 HD3 PRO 67 -12.988 -1.532 -1.532
527 H SER 68 HN SER 68 -13.797 -0.687 -0.687
528 HA SER 68 HA SER 68 -13.796 -1.804 -1.804
529 1HB SER 68 HB2 SER 68 -13.445 -3.836 -3.836
530 2HB SER 68 HB3 SER 68 -12.475 -4.289 -4.289
531 HG SER 68 HG SER 68 -15.244 -4.255 -4.255
532 H SER 69 HN SER 69 -11.903 -3.765 -3.765
533 HA SER 69 HA SER 69 -9.817 -1.925 -1.925
534 1HB SER 69 HB2 SER 69 -10.914 -3.378 -3.378
535 2HB SER 69 HB3 SER 69 -10.267 -4.799 -4.799
536 HG SER 69 HG SER 69 -8.478 -2.704 -2.704
537 H ALA 70 HN ALA 70 -9.909 -2.854 -2.854
538 HA ALA 70 HA ALA 70 -8.295 -3.259 -3.259
539 1HB ALA 70 HB3 ALA 70 -6.752 -2.966 -2.966
540 2HB ALA 70 HB1 ALA 70 -6.422 -4.670 -4.670
541 3HB ALA 70 HB2 ALA 70 -6.107 -3.397 -3.397
542 H VAL 71 HN VAL 71 -9.615 -4.730 -4.730
543 HA VAL 71 HA VAL 71 -9.485 -7.499 -7.499
544 HB VAL 71 HB VAL 71 -11.589 -7.785 -7.785
545 1HG1 VAL 71 HG12 VAL 71 -11.615 -5.757 -5.757
546 2HG1 VAL 71 HG13 VAL 71 -11.639 -4.750 -4.750
547 3HG1 VAL 71 HG11 VAL 71 -12.992 -5.855 -5.855
548 1HG2 VAL 71 HG21 VAL 71 -10.812 -6.012 -6.012
549 2HG2 VAL 71 HG22 VAL 71 -11.356 -7.707 -7.707
550 3HG2 VAL 71 HG23 VAL 71 -12.522 -6.400 -6.400
551 H CYS 72 HN CYS 72 -8.835 -5.275 -5.275
552 HA CYS 72 HA CYS 72 -7.427 -7.500 -7.500
553 1HB CYS 72 HB2 CYS 72 -8.812 -5.282 -5.282
554 2HB CYS 72 HB3 CYS 72 -8.046 -6.714 -6.714
555 H GLY 73 HN GLY 73 -6.998 -4.921 -4.921
556 1HA GLY 73 HA1 GLY 73 -4.500 -4.157 -4.157
557 2HA GLY 73 HA2 GLY 73 -5.664 -2.882 -2.882
558 H VAL 74 HN VAL 74 -4.243 -1.835 -1.835
559 HA VAL 74 HA VAL 74 -3.953 -3.328 -3.328
560 HB VAL 74 HB VAL 74 -2.227 -1.170 -1.170
561 1HG1 VAL 74 HG11 VAL 74 -2.086 -2.489 -2.489
562 2HG1 VAL 74 HG12 VAL 74 -0.752 -1.565 -1.565
563 3HG1 VAL 74 HG13 VAL 74 -2.296 -0.759 -0.759
564 1HG2 VAL 74 HG22 VAL 74 -2.142 -3.713 -3.713
565 2HG2 VAL 74 HG23 VAL 74 -0.646 -2.783 -2.783
566 3HG2 VAL 74 HG21 VAL 74 -1.238 -3.883 -3.883
567 H SER 75 HN SER 75 -5.849 -1.106 -1.106
568 HA SER 75 HA SER 75 -6.865 0.782 0.782
569 1HB SER 75 HB2 SER 75 -7.710 -1.488 -1.488
570 2HB SER 75 HB3 SER 75 -7.769 -0.137 -0.137
571 HG SER 75 HG SER 75 -9.491 0.622 0.622
572 H LEU 76 HN LEU 76 -5.068 2.265 2.265
573 HA LEU 76 HA LEU 76 -4.268 2.610 2.610
574 1HB LEU 76 HB2 LEU 76 -2.848 4.075 4.075
575 2HB LEU 76 HB3 LEU 76 -2.235 3.276 3.276
576 HG LEU 76 HG LEU 76 -3.062 1.140 1.140
577 1HD1 LEU 76 HD13 LEU 76 -2.983 3.311 3.311
578 2HD1 LEU 76 HD11 LEU 76 -1.498 2.377 2.377
579 3HD1 LEU 76 HD12 LEU 76 -3.087 1.577 1.577
580 1HD2 LEU 76 HD21 LEU 76 -0.655 2.214 2.214
581 2HD2 LEU 76 HD22 LEU 76 -1.004 0.540 0.540
582 3HD2 LEU 76 HD23 LEU 76 -0.326 1.693 1.693
583 H ASP 77 HN ASP 77 -4.676 4.520 4.520
584 HA ASP 77 HA ASP 77 -6.140 6.499 6.499
585 1HB ASP 77 HB2 ASP 77 -7.293 7.010 7.010
586 2HB ASP 77 HB3 ASP 77 -7.781 5.548 5.548
587 H VAL 78 HN VAL 78 -3.289 5.782 5.782
588 HA VAL 78 HA VAL 78 -1.591 7.005 7.005
589 HB VAL 78 HB VAL 78 -3.365 9.048 9.048
590 1HG1 VAL 78 HG12 VAL 78 -1.485 9.668 9.668
591 2HG1 VAL 78 HG13 VAL 78 -1.481 10.759 10.759
592 3HG1 VAL 78 HG11 VAL 78 -2.987 10.484 10.484
593 1HG2 VAL 78 HG21 VAL 78 -1.052 7.657 7.657
594 2HG2 VAL 78 HG22 VAL 78 -1.794 9.021 9.021
595 3HG2 VAL 78 HG23 VAL 78 -0.494 9.320 9.320
596 H GLY 79 HN GLY 79 -4.674 8.588 8.588
597 1HA GLY 79 HA1 GLY 79 -3.843 9.447 9.447
598 2HA GLY 79 HA2 GLY 79 -5.475 8.947 8.947
599 H GLY 80 HN GLY 80 -3.994 6.182 6.182
600 1HA GLY 80 HA1 GLY 80 -4.031 5.173 5.173
601 2HA GLY 80 HA2 GLY 80 -4.645 4.292 4.292
602 H LYS 81 HN LYS 81 -2.404 5.285 5.285
603 HA LYS 81 HA LYS 81 -0.306 3.558 3.558
604 1HB LYS 81 HB2 LYS 81 0.000 3.797 3.797
605 2HB LYS 81 HB3 LYS 81 -0.422 2.376 2.376
606 1HG LYS 81 HG2 LYS 81 -2.464 4.469 4.469
607 2HG LYS 81 HG3 LYS 81 -2.107 3.027 3.027
608 1HD LYS 81 HD2 LYS 81 -3.141 1.607 1.607
609 2HD LYS 81 HD3 LYS 81 -2.736 2.609 2.609
610 1HE LYS 81 HE2 LYS 81 -4.930 3.250 3.250
611 2HE LYS 81 HE3 LYS 81 -4.433 4.297 4.297
612 1HZ LYS 81 HZ2 LYS 81 -4.826 1.826 1.826
613 2HZ LYS 81 HZ3 LYS 81 -6.088 2.039 2.039
614 3HZ LYS 81 HZ1 LYS 81 -5.787 3.137 3.137
615 H LYS 82 HN LYS 82 0.020 5.592 5.592
616 HA LYS 82 HA LYS 82 0.871 7.948 7.948
617 1HB LYS 82 HB2 LYS 82 3.411 7.601 7.601
618 2HB LYS 82 HB3 LYS 82 2.433 7.164 7.164
619 1HG LYS 82 HG2 LYS 82 2.514 4.851 4.851
620 2HG LYS 82 HG3 LYS 82 4.152 5.470 5.470
621 1HD LYS 82 HD2 LYS 82 4.416 4.661 4.661
622 2HD LYS 82 HD3 LYS 82 3.064 5.620 5.620
623 1HE LYS 82 HE2 LYS 82 1.614 3.839 3.839
624 2HE LYS 82 HE3 LYS 82 2.234 3.235 3.235
625 1HZ LYS 82 HZ3 LYS 82 4.280 2.764 2.764
626 2HZ LYS 82 HZ1 LYS 82 3.051 2.591 2.591
627 3HZ LYS 82 HZ2 LYS 82 3.095 1.678 1.678
628 H GLU 83 HN GLU 83 3.142 5.764 5.764
629 HA GLU 83 HA GLU 83 2.083 6.728 6.728
630 1HB GLU 83 HB2 GLU 83 5.064 7.013 7.013
631 2HB GLU 83 HB3 GLU 83 4.054 7.779 7.779
632 1HG GLU 83 HG2 GLU 83 4.385 9.553 9.553
633 2HG GLU 83 HG3 GLU 83 2.859 8.913 8.913
634 H TYR 84 HN TYR 84 3.068 5.526 5.526
635 HA TYR 84 HA TYR 84 4.462 3.084 3.084
636 1HB TYR 84 HB2 TYR 84 2.684 1.836 1.836
637 2HB TYR 84 HB3 TYR 84 2.050 2.522 2.522
638 HD1 TYR 84 HD2 TYR 84 2.572 3.588 3.588
639 HD2 TYR 84 HD1 TYR 84 0.006 3.600 3.600
640 HE1 TYR 84 HE2 TYR 84 0.794 4.831 4.831
641 HE2 TYR 84 HE1 TYR 84 -1.762 4.842 4.842
642 HH TYR 84 HH TYR 84 -1.737 5.024 5.024
643 H LEU 85 HN LEU 85 5.534 2.041 2.041
644 HA LEU 85 HA LEU 85 6.222 3.930 3.930
645 1HB LEU 85 HB2 LEU 85 7.851 2.185 2.185
646 2HB LEU 85 HB3 LEU 85 8.006 2.753 2.753
647 HG LEU 85 HG LEU 85 8.193 0.201 0.201
648 1HD1 LEU 85 HD11 LEU 85 7.782 1.643 1.643
649 2HD1 LEU 85 HD12 LEU 85 6.486 0.424 0.424
650 3HD1 LEU 85 HD13 LEU 85 8.185 -0.089 -0.089
651 1HD2 LEU 85 HD21 LEU 85 5.193 0.551 0.551
652 2HD2 LEU 85 HD22 LEU 85 6.096 -0.035 -0.035
653 3HD2 LEU 85 HD23 LEU 85 6.057 -1.004 -1.004
654 H ILE 86 HN ILE 86 3.557 2.102 2.102
655 HA ILE 86 HA ILE 86 2.548 0.534 0.534
656 HB ILE 86 HB ILE 86 2.011 3.357 3.357
657 1HG1 ILE 86 HG12 ILE 86 -0.242 2.658 2.658
658 2HG1 ILE 86 HG13 ILE 86 0.071 1.076 1.076
659 1HG2 ILE 86 HG23 ILE 86 1.673 1.817 1.817
660 2HG2 ILE 86 HG21 ILE 86 0.498 3.076 3.076
661 3HG2 ILE 86 HG22 ILE 86 2.218 3.492 3.492
662 1HD1 ILE 86 HD11 ILE 86 1.871 1.552 1.552
663 2HD1 ILE 86 HD12 ILE 86 0.179 1.799 1.799
664 3HD1 ILE 86 HD13 ILE 86 0.679 0.250 0.250
665 H ALA 87 HN ALA 87 3.708 -0.878 -0.878
666 HA ALA 87 HA ALA 87 4.633 0.195 0.195
667 1HB ALA 87 HB3 ALA 87 6.120 -1.301 -1.301
668 2HB ALA 87 HB1 ALA 87 6.388 -1.826 -1.826
669 3HB ALA 87 HB2 ALA 87 6.711 -0.139 -0.139
670 H GLY 88 HN GLY 88 3.083 -0.594 -0.594
671 1HA GLY 88 HA1 GLY 88 2.876 -3.471 -3.471
672 2HA GLY 88 HA2 GLY 88 1.404 -2.676 -2.676
673 H LYS 89 HN LYS 89 1.589 -4.059 -4.059
674 HA LYS 89 HA LYS 89 2.312 -2.865 -2.865
675 1HB LYS 89 HB2 LYS 89 0.390 -4.783 -4.783
676 2HB LYS 89 HB3 LYS 89 -0.467 -3.646 -3.646
677 1HG LYS 89 HG2 LYS 89 0.885 -4.074 -4.074
678 2HG LYS 89 HG3 LYS 89 2.271 -4.532 -4.532
679 1HD LYS 89 HD2 LYS 89 1.021 -6.633 -6.633
680 2HD LYS 89 HD3 LYS 89 -0.264 -6.186 -6.186
681 1HE LYS 89 HE2 LYS 89 2.312 -6.045 -6.045
682 2HE LYS 89 HE3 LYS 89 2.126 -7.615 -7.615
683 1HZ LYS 89 HZ2 LYS 89 0.027 -6.401 -6.401
684 2HZ LYS 89 HZ3 LYS 89 1.169 -7.398 -7.398
685 3HZ LYS 89 HZ1 LYS 89 0.115 -7.949 -7.949
686 H ALA 90 HN ALA 90 2.516 -0.645 -0.645
687 HA ALA 90 HA ALA 90 0.565 1.142 1.142
688 1HB ALA 90 HB1 ALA 90 3.160 1.294 1.294
689 2HB ALA 90 HB2 ALA 90 2.308 1.991 1.991
690 3HB ALA 90 HB3 ALA 90 2.096 2.703 2.703
691 H GLU 91 HN GLU 91 -0.340 2.869 2.869
692 HA GLU 91 HA GLU 91 -1.521 1.292 1.292
693 1HB GLU 91 HB2 GLU 91 -3.028 1.847 1.847
694 2HB GLU 91 HB3 GLU 91 -3.057 3.478 3.478
695 1HG GLU 91 HG2 GLU 91 -4.996 2.145 2.145
696 2HG GLU 91 HG3 GLU 91 -3.981 2.677 2.677
697 H GLY 92 HN GLY 92 0.697 3.546 3.546
698 1HA GLY 92 HA1 GLY 92 1.355 4.650 4.650
699 2HA GLY 92 HA2 GLY 92 -0.230 5.396 5.396
700 H ASP 93 HN ASP 93 -0.337 7.416 7.416
701 HA ASP 93 HA ASP 93 1.518 7.989 7.989
702 1HB ASP 93 HB2 ASP 93 0.885 10.020 10.020
703 2HB ASP 93 HB3 ASP 93 2.141 10.114 10.114
704 H GLY 94 HN GLY 94 0.585 9.396 9.396
705 1HA GLY 94 HA1 GLY 94 -0.962 10.757 10.757
706 2HA GLY 94 HA2 GLY 94 -1.838 10.856 10.856
707 H LYS 95 HN LYS 95 -1.260 7.586 7.586
708 HA LYS 95 HA LYS 95 -3.049 6.883 6.883
709 1HB LYS 95 HB2 LYS 95 -5.085 6.503 6.503
710 2HB LYS 95 HB3 LYS 95 -4.601 8.041 8.041
711 1HG LYS 95 HG2 LYS 95 -4.068 5.350 5.350
712 2HG LYS 95 HG3 LYS 95 -5.465 6.346 6.346
713 1HD LYS 95 HD2 LYS 95 -2.562 7.242 7.242
714 2HD LYS 95 HD3 LYS 95 -3.592 6.696 6.696
715 1HE LYS 95 HE2 LYS 95 -4.006 9.166 9.166
716 2HE LYS 95 HE3 LYS 95 -3.613 9.141 9.141
717 1HZ LYS 95 HZ3 LYS 95 -5.851 7.634 7.634
718 2HZ LYS 95 HZ1 LYS 95 -6.132 8.844 8.844
719 3HZ LYS 95 HZ2 LYS 95 -5.784 9.188 9.188
720 H MET 96 HN MET 96 -3.088 4.611 4.611
721 HA MET 96 HA MET 96 -1.927 3.022 3.022
722 1HB MET 96 HB2 MET 96 -0.394 2.063 2.063
723 2HB MET 96 HB3 MET 96 0.162 3.361 3.361
724 1HG MET 96 HG2 MET 96 0.113 4.881 4.881
725 2HG MET 96 HG3 MET 96 -1.498 4.399 4.399
726 1HE MET 96 HE3 MET 96 1.977 4.536 4.536
727 2HE MET 96 HE1 MET 96 1.515 4.844 4.844
728 3HE MET 96 HE2 MET 96 2.474 3.402 3.402
729 H HIS 97 HN HIS 97 -1.433 0.666 0.666
730 HA HIS 97 HA HIS 97 -4.002 0.214 0.214
731 1HB HIS 97 HB2 HIS 97 -2.911 -1.067 -1.067
732 2HB HIS 97 HB3 HIS 97 -3.451 -2.202 -2.202
733 HD1 HIS 97 HD1 HIS 97 -4.909 -1.778 -1.778
734 HD2 HIS 97 HD2 HIS 97 -6.051 -0.036 -0.036
735 HE1 HIS 97 HE1 HIS 97 -7.387 -1.211 -1.211
736 H ILE 98 HN ILE 98 -3.836 -0.797 -0.797
737 HA ILE 98 HA ILE 98 -1.416 -2.329 -2.329
738 HB ILE 98 HB ILE 98 -0.927 -1.182 -1.182
739 1HG1 ILE 98 HG12 ILE 98 -3.487 0.317 0.317
740 2HG1 ILE 98 HG13 ILE 98 -3.007 -0.568 -0.568
741 1HG2 ILE 98 HG22 ILE 98 -0.355 -0.210 -0.210
742 2HG2 ILE 98 HG23 ILE 98 -1.272 1.174 1.174
743 3HG2 ILE 98 HG21 ILE 98 0.165 0.582 0.582
744 1HD1 ILE 98 HD12 ILE 98 -1.117 1.600 1.600
745 2HD1 ILE 98 HD13 ILE 98 -2.766 2.180 2.180
746 3HD1 ILE 98 HD11 ILE 98 -1.895 1.221 1.221
747 H THR 99 HN THR 99 -1.685 -3.908 -3.908
748 HA THR 99 HA THR 99 -4.326 -4.128 -4.128
749 HB THR 99 HB THR 99 -4.069 -6.680 -6.680
750 HG1 THR 99 HG1 THR 99 -3.141 -6.445 -6.445
751 1HG2 THR 99 HG21 THR 99 -5.674 -4.372 -4.372
752 2HG2 THR 99 HG22 THR 99 -5.154 -5.119 -5.119
753 3HG2 THR 99 HG23 THR 99 -6.043 -6.083 -6.083
754 H LEU 100 HN LEU 100 -4.409 -5.999 -5.999
755 HA LEU 100 HA LEU 100 -2.240 -5.760 -5.760
756 1HB LEU 100 HB2 LEU 100 -3.489 -6.969 -6.969
757 2HB LEU 100 HB3 LEU 100 -4.743 -6.427 -6.427
758 HG LEU 100 HG LEU 100 -3.415 -9.101 -9.101
759 1HD1 LEU 100 HD13 LEU 100 -5.388 -8.336 -8.336
760 2HD1 LEU 100 HD11 LEU 100 -5.584 -9.903 -9.903
761 3HD1 LEU 100 HD12 LEU 100 -4.069 -9.530 -9.530
762 1HD2 LEU 100 HD23 LEU 100 -5.448 -7.632 -7.632
763 2HD2 LEU 100 HD21 LEU 100 -4.849 -9.273 -9.273
764 3HD2 LEU 100 HD22 LEU 100 -6.217 -9.041 -9.041
765 H CYS 101 HN CYS 101 -3.208 -8.392 -8.392
766 HA CYS 101 HA CYS 101 -1.131 -10.106 -10.106
767 1HB CYS 101 HB2 CYS 101 -3.268 -10.482 -10.482
768 2HB CYS 101 HB3 CYS 101 -2.289 -9.941 -9.941
769 H ASP 102 HN ASP 102 -1.289 -7.113 -7.113
770 HA ASP 102 HA ASP 102 1.107 -7.626 -7.626
771 1HB ASP 102 HB2 ASP 102 -0.967 -5.997 -5.997
772 2HB ASP 102 HB3 ASP 102 -0.018 -4.855 -4.855
773 H PHE 103 HN PHE 103 2.953 -5.845 -5.845
774 HA PHE 103 HA PHE 103 3.861 -5.917 -5.917
775 1HB PHE 103 HB2 PHE 103 5.455 -6.000 -6.000
776 2HB PHE 103 HB3 PHE 103 4.688 -4.661 -4.661
777 HD1 PHE 103 HD2 PHE 103 5.225 -4.313 -4.313
778 HD2 PHE 103 HD1 PHE 103 6.934 -3.655 -3.655
779 HE1 PHE 103 HE2 PHE 103 6.889 -2.732 -2.732
780 HE2 PHE 103 HE1 PHE 103 8.598 -2.073 -2.073
781 HZ PHE 103 HZ PHE 103 8.556 -1.631 -1.631
782 H ILE 104 HN ILE 104 3.268 -4.573 -4.573
783 HA ILE 104 HA ILE 104 3.255 -1.767 -1.767
784 HB ILE 104 HB ILE 104 0.799 -1.602 -1.602
785 1HG1 ILE 104 HG12 ILE 104 0.708 -4.278 -4.278
786 2HG1 ILE 104 HG13 ILE 104 0.470 -4.035 -4.035
787 1HG2 ILE 104 HG23 ILE 104 2.044 -1.153 -1.153
788 2HG2 ILE 104 HG21 ILE 104 0.796 -2.322 -2.322
789 3HG2 ILE 104 HG22 ILE 104 0.326 -0.810 -0.810
790 1HD1 ILE 104 HD13 ILE 104 -1.432 -2.416 -2.416
791 2HD1 ILE 104 HD11 ILE 104 -1.273 -3.000 -3.000
792 3HD1 ILE 104 HD12 ILE 104 -1.727 -4.131 -4.131
793 H VAL 105 HN VAL 105 3.773 -0.795 -0.795
794 HA VAL 105 HA VAL 105 3.032 -2.067 -2.067
795 HB VAL 105 HB VAL 105 5.739 -1.692 -1.692
796 1HG1 VAL 105 HG12 VAL 105 4.003 -3.549 -3.549
797 2HG1 VAL 105 HG13 VAL 105 4.682 -4.406 -4.406
798 3HG1 VAL 105 HG11 VAL 105 5.742 -3.925 -3.925
799 1HG2 VAL 105 HG23 VAL 105 5.302 -2.962 -2.962
800 2HG2 VAL 105 HG21 VAL 105 6.286 -1.531 -1.531
801 3HG2 VAL 105 HG22 VAL 105 6.795 -3.142 -3.142
802 HA PRO 106 HA PRO 106 3.200 2.067 2.067
803 1HB PRO 106 HB2 PRO 106 3.565 1.876 1.876
804 2HB PRO 106 HB3 PRO 106 2.013 1.635 1.635
805 1HG PRO 106 HG2 PRO 106 3.851 -0.383 -0.383
806 2HG PRO 106 HG3 PRO 106 2.149 -0.543 -0.543
807 1HD PRO 106 HD2 PRO 106 4.355 -1.560 -1.560
808 2HD PRO 106 HD3 PRO 106 2.661 -1.617 -1.617
809 H TRP 107 HN TRP 107 5.864 0.340 0.340
810 HA TRP 107 HA TRP 107 7.974 0.998 0.998
811 1HB TRP 107 HB2 TRP 107 6.931 3.264 3.264
812 2HB TRP 107 HB3 TRP 107 7.315 3.715 3.715
813 HD1 TRP 107 HD1 TRP 107 9.516 1.922 1.922
814 HE1 TRP 107 HE1 TRP 107 11.851 3.129 3.129
815 HE3 TRP 107 HE3 TRP 107 8.551 5.574 5.574
816 HZ2 TRP 107 HZ2 TRP 107 13.006 5.426 5.426
817 HZ3 TRP 107 HZ3 TRP 107 10.336 7.259 7.259
818 HH2 TRP 107 HH2 TRP 107 12.502 7.226 7.226
819 H ASP 108 HN ASP 108 6.610 2.568 2.568
820 HA ASP 108 HA ASP 108 8.893 1.992 1.992
821 1HB ASP 108 HB2 ASP 108 6.964 3.720 3.720
822 2HB ASP 108 HB3 ASP 108 6.100 2.387 2.387
823 H THR 109 HN THR 109 8.413 -0.431 -0.431
824 HA THR 109 HA THR 109 7.847 -2.134 -2.134
825 HB THR 109 HB THR 109 6.022 -3.370 -3.370
826 HG1 THR 109 HG1 THR 109 6.116 -2.385 -2.385
827 1HG2 THR 109 HG23 THR 109 5.519 -1.718 -1.718
828 2HG2 THR 109 HG21 THR 109 5.270 -0.487 -0.487
829 3HG2 THR 109 HG22 THR 109 4.223 -1.925 -1.925
830 H LEU 110 HN LEU 110 8.087 -2.084 -2.084
831 HA LEU 110 HA LEU 110 8.955 -3.969 -3.969
832 1HB LEU 110 HB2 LEU 110 11.244 -2.195 -2.195
833 2HB LEU 110 HB3 LEU 110 11.207 -3.229 -3.229
834 HG LEU 110 HG LEU 110 9.330 -0.894 -0.894
835 1HD1 LEU 110 HD13 LEU 110 11.822 -0.348 -0.348
836 2HD1 LEU 110 HD11 LEU 110 11.658 -0.918 -0.918
837 3HD1 LEU 110 HD12 LEU 110 10.686 0.460 0.460
838 1HD2 LEU 110 HD23 LEU 110 9.155 -3.070 -3.070
839 2HD2 LEU 110 HD21 LEU 110 8.208 -1.562 -1.562
840 3HD2 LEU 110 HD22 LEU 110 9.704 -1.689 -1.689
841 H SER 111 HN SER 111 12.009 -3.676 -3.676
842 HA SER 111 HA SER 111 12.118 -5.101 -5.101
843 1HB SER 111 HB2 SER 111 11.126 -6.946 -6.946
844 2HB SER 111 HB3 SER 111 12.322 -7.596 -7.596
845 HG SER 111 HG SER 111 9.803 -6.371 -6.371
846 H THR 112 HN THR 112 13.108 -5.352 -5.352
847 HA THR 112 HA THR 112 15.605 -4.462 -4.462
848 HB THR 112 HB THR 112 15.402 -7.110 -7.110
849 HG1 THR 112 HG1 THR 112 17.492 -5.072 -5.072
850 1HG2 THR 112 HG23 THR 112 17.712 -6.438 -6.438
851 2HG2 THR 112 HG21 THR 112 17.707 -7.759 -7.759
852 3HG2 THR 112 HG22 THR 112 16.592 -7.808 -7.808
853 H THR 113 HN THR 113 14.427 -7.738 -7.738
854 HA THR 113 HA THR 113 15.604 -7.706 -7.706
855 HB THR 113 HB THR 113 12.986 -8.944 -8.944
856 HG1 THR 113 HG1 THR 113 15.731 -9.887 -9.887
857 1HG2 THR 113 HG22 THR 113 13.264 -8.945 -8.945
858 2HG2 THR 113 HG23 THR 113 14.772 -9.858 -9.858
859 3HG2 THR 113 HG21 THR 113 13.213 -10.556 -10.556
860 H GLN 114 HN GLN 114 12.766 -5.927 -5.927
861 HA GLN 114 HA GLN 114 11.935 -5.346 -5.346
862 1HB GLN 114 HB2 GLN 114 11.013 -4.631 -4.631
863 2HB GLN 114 HB3 GLN 114 10.507 -3.591 -3.591
864 1HG GLN 114 HG2 GLN 114 8.791 -5.128 -5.128
865 2HG GLN 114 HG3 GLN 114 9.942 -5.966 -5.966
866 1HE2 GLN 114 HE22 GLN 114 11.004 -8.260 -8.260
867 2HE2 GLN 114 HE21 GLN 114 11.680 -7.176 -7.176
868 H LYS 115 HN LYS 115 13.989 -3.912 -3.912
869 HA LYS 115 HA LYS 115 14.046 -1.319 -1.319
870 1HB LYS 115 HB2 LYS 115 15.124 -2.666 -2.666
871 2HB LYS 115 HB3 LYS 115 16.300 -1.595 -1.595
872 1HG LYS 115 HG2 LYS 115 15.024 0.317 0.317
873 2HG LYS 115 HG3 LYS 115 13.500 -0.538 -0.538
874 1HD LYS 115 HD2 LYS 115 15.435 -0.565 -0.565
875 2HD LYS 115 HD3 LYS 115 13.815 0.103 0.103
876 1HE LYS 115 HE2 LYS 115 13.097 -2.370 -2.370
877 2HE LYS 115 HE3 LYS 115 14.658 -2.809 -2.809
878 1HZ LYS 115 HZ3 LYS 115 13.889 -1.367 -1.367
879 2HZ LYS 115 HZ1 LYS 115 12.387 -1.593 -1.593
880 3HZ LYS 115 HZ2 LYS 115 13.288 -2.878 -2.878
881 H LYS 116 HN LYS 116 16.108 -4.275 -4.275
882 HA LYS 116 HA LYS 116 18.166 -3.120 -3.120
883 1HB LYS 116 HB2 LYS 116 18.994 -5.312 -5.312
884 2HB LYS 116 HB3 LYS 116 18.207 -5.274 -5.274
885 1HG LYS 116 HG2 LYS 116 17.025 -7.092 -7.092
886 2HG LYS 116 HG3 LYS 116 16.125 -6.011 -6.011
887 1HD LYS 116 HD2 LYS 116 18.771 -6.942 -6.942
888 2HD LYS 116 HD3 LYS 116 17.532 -8.174 -8.174
889 1HE LYS 116 HE2 LYS 116 16.639 -7.426 -7.426
890 2HE LYS 116 HE3 LYS 116 16.197 -5.940 -5.940
891 1HZ LYS 116 HZ1 LYS 116 18.576 -5.260 -5.260
892 2HZ LYS 116 HZ2 LYS 116 18.613 -6.492 -6.492
893 3HZ LYS 116 HZ3 LYS 116 17.536 -5.278 -5.278
894 H SER 117 HN SER 117 14.904 -4.089 -4.089
895 HA SER 117 HA SER 117 15.554 -4.290 -4.290
896 1HB SER 117 HB2 SER 117 13.582 -5.422 -5.422
897 2HB SER 117 HB3 SER 117 12.694 -4.239 -4.239
898 HG SER 117 HG SER 117 13.196 -6.605 -6.605
899 H LEU 118 HN LEU 118 14.564 -1.935 -1.935
900 HA LEU 118 HA LEU 118 13.048 -0.254 -0.254
901 1HB LEU 118 HB2 LEU 118 14.104 -0.264 -0.264
902 2HB LEU 118 HB3 LEU 118 14.215 1.324 1.324
903 HG LEU 118 HG LEU 118 11.605 0.078 0.078
904 1HD1 LEU 118 HD12 LEU 118 12.185 -0.950 -0.950
905 2HD1 LEU 118 HD13 LEU 118 12.346 0.687 0.687
906 3HD1 LEU 118 HD11 LEU 118 10.773 0.132 0.132
907 1HD2 LEU 118 HD21 LEU 118 12.249 2.479 2.479
908 2HD2 LEU 118 HD22 LEU 118 10.780 2.229 2.229
909 3HD2 LEU 118 HD23 LEU 118 12.312 2.667 2.667
910 H ASN 119 HN ASN 119 16.510 -0.813 -0.813
911 HA ASN 119 HA ASN 119 17.251 1.631 1.631
912 1HB ASN 119 HB2 ASN 119 19.558 0.643 0.643
913 2HB ASN 119 HB3 ASN 119 18.757 0.519 0.519
914 1HD2 ASN 119 HD22 ASN 119 19.517 -2.847 -2.847
915 2HD2 ASN 119 HD21 ASN 119 19.531 -1.260 -1.260
916 H HIS 120 HN HIS 120 16.314 -1.609 -1.609
917 HA HIS 120 HA HIS 120 17.730 -1.732 -1.732
918 1HB HIS 120 HB2 HIS 120 15.473 -3.208 -3.208
919 2HB HIS 120 HB3 HIS 120 15.666 -3.378 -3.378
920 HD1 HIS 120 HD1 HIS 120 16.170 -5.962 -5.962
921 HD2 HIS 120 HD2 HIS 120 19.125 -3.065 -3.065
922 HE1 HIS 120 HE1 HIS 120 18.333 -7.239 -7.239
923 H ARG 121 HN ARG 121 17.530 -0.231 -0.231
924 HA ARG 121 HA ARG 121 15.773 1.658 1.658
925 1HB ARG 121 HB2 ARG 121 17.575 0.246 0.246
926 2HB ARG 121 HB3 ARG 121 16.101 0.518 0.518
927 1HG ARG 121 HG2 ARG 121 17.894 2.589 2.589
928 2HG ARG 121 HG3 ARG 121 17.456 2.464 2.464
929 1HD ARG 121 HD2 ARG 121 14.961 2.702 2.702
930 2HD ARG 121 HD3 ARG 121 15.944 3.679 3.679
931 HE ARG 121 HE ARG 121 16.206 5.258 5.258
932 1HH1 ARG 121 HH22 ARG 121 15.064 2.230 2.230
933 2HH1 ARG 121 HH21 ARG 121 14.805 2.901 2.901
934 1HH2 ARG 121 HH12 ARG 121 15.864 6.142 6.142
935 2HH2 ARG 121 HH11 ARG 121 15.264 5.141 5.141
936 H TYR 122 HN TYR 122 15.218 -1.786 -1.786
937 HA TYR 122 HA TYR 122 12.561 -1.860 -1.860
938 1HB TYR 122 HB2 TYR 122 11.768 -0.468 -0.468
939 2HB TYR 122 HB3 TYR 122 13.343 -0.409 -0.409
940 HD1 TYR 122 HD2 TYR 122 10.708 -3.042 -3.042
941 HD2 TYR 122 HD1 TYR 122 13.340 -1.080 -1.080
942 HE1 TYR 122 HE2 TYR 122 9.856 -4.519 -4.519
943 HE2 TYR 122 HE1 TYR 122 12.479 -2.565 -2.565
944 HH TYR 122 HH TYR 122 9.780 -4.758 -4.758
945 H GLN 123 HN GLN 123 12.700 -4.017 -4.017
946 HA GLN 123 HA GLN 123 13.230 -6.132 -6.132
947 1HB GLN 123 HB2 GLN 123 11.215 -6.073 -6.073
948 2HB GLN 123 HB3 GLN 123 12.125 -5.573 -5.573
949 1HG GLN 123 HG2 GLN 123 13.401 -7.949 -7.949
950 2HG GLN 123 HG3 GLN 123 11.684 -8.267 -8.267
951 1HE2 GLN 123 HE22 GLN 123 12.492 -9.352 -9.352
952 2HE2 GLN 123 HE21 GLN 123 12.686 -9.822 -9.822
953 H MET 124 HN MET 124 15.596 -4.984 -4.984
954 HA MET 124 HA MET 124 17.061 -5.226 -5.226
955 1HB MET 124 HB2 MET 124 17.461 -4.441 -4.441
956 2HB MET 124 HB3 MET 124 18.808 -5.433 -5.433
957 1HG MET 124 HG2 MET 124 18.021 -3.430 -3.430
958 2HG MET 124 HG3 MET 124 18.491 -2.695 -2.695
959 1HE MET 124 HE3 MET 124 19.380 -2.873 -2.873
960 2HE MET 124 HE1 MET 124 21.091 -2.442 -2.442
961 3HE MET 124 HE2 MET 124 20.658 -4.044 -4.044
962 H GLY 125 HN GLY 125 15.876 -7.584 -7.584
963 1HA GLY 125 HA1 GLY 125 16.168 -9.808 -9.808
964 2HA GLY 125 HA2 GLY 125 17.889 -9.479 -9.479
965 H CYS 126 HN CYS 126 15.828 -8.467 -8.467
966 HA CYS 126 HA CYS 126 17.425 -9.734 -9.734
967 1HB CYS 126 HB2 CYS 126 16.074 -8.810 -8.810
968 2HB CYS 126 HB3 CYS 126 15.669 -7.801 -7.801
969 H GLU 127 HN GLU 127 15.634 -11.109 -11.109
970 HA GLU 127 HA GLU 127 14.053 -12.988 -12.988
971 1HB GLU 127 HB2 GLU 127 16.210 -13.761 -13.761
972 2HB GLU 127 HB3 GLU 127 16.857 -14.042 -14.042
973 1HG GLU 127 HG2 GLU 127 14.912 -15.631 -15.631
974 2HG GLU 127 HG3 GLU 127 14.437 -15.430 -15.430
Start of MODEL 21
1 H CYS 1 HN CYS 1 -6.625 -9.464 -9.464
2 HA CYS 1 HA CYS 1 -8.591 -8.615 -8.615
3 1HB CYS 1 HB2 CYS 1 -9.837 -10.844 -10.844
4 2HB CYS 1 HB3 CYS 1 -10.562 -10.386 -10.386
5 H SER 2 HN SER 2 -9.556 -11.971 -11.971
6 HA SER 2 HA SER 2 -8.433 -12.025 -12.025
7 1HB SER 2 HB2 SER 2 -9.472 -14.587 -14.587
8 2HB SER 2 HB3 SER 2 -9.984 -13.645 -13.645
9 HG SER 2 HG SER 2 -11.092 -13.788 -13.788
10 H CYS 3 HN CYS 3 -6.288 -11.705 -11.705
11 HA CYS 3 HA CYS 3 -5.206 -14.365 -14.365
12 1HB CYS 3 HB2 CYS 3 -4.918 -13.034 -13.034
13 2HB CYS 3 HB3 CYS 3 -4.482 -11.614 -11.614
14 H SER 4 HN SER 4 -2.842 -14.681 -14.681
15 HA SER 4 HA SER 4 -2.608 -13.589 -13.589
16 1HB SER 4 HB2 SER 4 -1.112 -15.449 -15.449
17 2HB SER 4 HB3 SER 4 -2.544 -16.074 -16.074
18 HG SER 4 HG SER 4 0.090 -16.172 -16.172
19 HA PRO 5 HA PRO 5 0.560 -11.056 -11.056
20 1HB PRO 5 HB2 PRO 5 0.785 -9.313 -9.313
21 2HB PRO 5 HB3 PRO 5 -0.376 -9.108 -9.108
22 1HG PRO 5 HG2 PRO 5 -0.838 -10.020 -10.020
23 2HG PRO 5 HG3 PRO 5 -1.998 -9.409 -9.409
24 1HD PRO 5 HD2 PRO 5 -1.599 -12.148 -12.148
25 2HD PRO 5 HD3 PRO 5 -2.677 -11.548 -11.548
26 H VAL 6 HN VAL 6 2.680 -11.430 -11.430
27 HA VAL 6 HA VAL 6 4.144 -11.871 -11.871
28 HB VAL 6 HB VAL 6 3.088 -14.077 -14.077
29 1HG1 VAL 6 HG13 VAL 6 4.096 -13.478 -13.478
30 2HG1 VAL 6 HG11 VAL 6 4.835 -14.987 -14.987
31 3HG1 VAL 6 HG12 VAL 6 3.063 -14.828 -14.828
32 1HG2 VAL 6 HG22 VAL 6 5.965 -13.524 -13.524
33 2HG2 VAL 6 HG23 VAL 6 4.860 -14.553 -14.553
34 3HG2 VAL 6 HG21 VAL 6 5.587 -15.171 -15.171
35 H HIS 7 HN HIS 7 5.985 -13.466 -13.466
36 HA HIS 7 HA HIS 7 7.885 -12.825 -12.825
37 1HB HIS 7 HB2 HIS 7 7.288 -11.275 -11.275
38 2HB HIS 7 HB3 HIS 7 6.900 -12.983 -12.983
39 HD1 HIS 7 HD1 HIS 7 4.520 -13.557 -13.557
40 HD2 HIS 7 HD2 HIS 7 4.937 -9.617 -9.617
41 HE1 HIS 7 HE1 HIS 7 2.203 -12.498 -12.498
42 HA PRO 8 HA PRO 8 8.527 -8.935 -8.935
43 1HB PRO 8 HB2 PRO 8 10.855 -9.633 -9.633
44 2HB PRO 8 HB3 PRO 8 9.276 -9.837 -9.837
45 1HG PRO 8 HG2 PRO 8 11.056 -11.888 -11.888
46 2HG PRO 8 HG3 PRO 8 9.705 -12.102 -12.102
47 1HD PRO 8 HD2 PRO 8 9.726 -12.614 -12.614
48 2HD PRO 8 HD3 PRO 8 8.344 -12.717 -12.717
49 H GLN 9 HN GLN 9 9.906 -10.515 -10.515
50 HA GLN 9 HA GLN 9 11.499 -8.144 -8.144
51 1HB GLN 9 HB2 GLN 9 13.085 -9.864 -9.864
52 2HB GLN 9 HB3 GLN 9 12.385 -11.034 -11.034
53 1HG GLN 9 HG2 GLN 9 13.730 -10.310 -10.310
54 2HG GLN 9 HG3 GLN 9 13.059 -8.696 -8.696
55 1HE2 GLN 9 HE22 GLN 9 15.523 -7.696 -7.696
56 2HE2 GLN 9 HE21 GLN 9 13.802 -7.796 -7.796
57 H GLN 10 HN GLN 10 9.875 -11.118 -11.118
58 HA GLN 10 HA GLN 10 10.040 -10.454 -10.454
59 1HB GLN 10 HB2 GLN 10 9.156 -12.526 -12.526
60 2HB GLN 10 HB3 GLN 10 8.819 -12.480 -12.480
61 1HG GLN 10 HG2 GLN 10 6.664 -12.777 -12.777
62 2HG GLN 10 HG3 GLN 10 6.718 -11.033 -11.033
63 1HE2 GLN 10 HE22 GLN 10 5.399 -11.984 -11.984
64 2HE2 GLN 10 HE21 GLN 10 5.000 -12.355 -12.355
65 H ALA 11 HN ALA 11 8.462 -8.797 -8.797
66 HA ALA 11 HA ALA 11 6.170 -7.974 -7.974
67 1HB ALA 11 HB2 ALA 11 7.113 -7.856 -7.856
68 2HB ALA 11 HB3 ALA 11 6.441 -6.300 -6.300
69 3HB ALA 11 HB1 ALA 11 5.454 -7.779 -7.779
70 H PHE 12 HN PHE 12 9.450 -6.839 -6.839
71 HA PHE 12 HA PHE 12 8.922 -4.262 -4.262
72 1HB PHE 12 HB2 PHE 12 11.375 -5.655 -5.655
73 2HB PHE 12 HB3 PHE 12 11.401 -3.993 -3.993
74 HD1 PHE 12 HD1 PHE 12 8.937 -5.939 -5.939
75 HD2 PHE 12 HD2 PHE 12 11.513 -2.574 -2.574
76 HE1 PHE 12 HE1 PHE 12 8.130 -5.173 -5.173
77 HE2 PHE 12 HE2 PHE 12 10.707 -1.808 -1.808
78 HZ PHE 12 HZ PHE 12 9.025 -3.118 -3.118
79 H CYS 13 HN CYS 13 9.262 -7.207 -7.207
80 HA CYS 13 HA CYS 13 11.090 -6.245 -6.245
81 1HB CYS 13 HB2 CYS 13 10.807 -8.871 -8.871
82 2HB CYS 13 HB3 CYS 13 10.966 -8.931 -8.931
83 H ASN 14 HN ASN 14 7.870 -6.997 -6.997
84 HA ASN 14 HA ASN 14 7.110 -7.680 -7.680
85 1HB ASN 14 HB2 ASN 14 6.169 -8.459 -8.459
86 2HB ASN 14 HB3 ASN 14 4.905 -7.426 -7.426
87 1HD2 ASN 14 HD22 ASN 14 5.734 -11.122 -11.122
88 2HD2 ASN 14 HD21 ASN 14 6.745 -10.352 -10.352
89 H ALA 15 HN ALA 15 6.850 -5.202 -5.202
90 HA ALA 15 HA ALA 15 4.798 -3.662 -3.662
91 1HB ALA 15 HB2 ALA 15 7.207 -2.941 -2.941
92 2HB ALA 15 HB3 ALA 15 5.830 -1.855 -1.855
93 3HB ALA 15 HB1 ALA 15 5.577 -3.386 -3.386
94 H ASP 16 HN ASP 16 5.283 -1.263 -1.263
95 HA ASP 16 HA ASP 16 7.589 -1.168 -1.168
96 1HB ASP 16 HB2 ASP 16 4.770 -1.489 -1.489
97 2HB ASP 16 HB3 ASP 16 5.726 -0.279 -0.279
98 H VAL 17 HN VAL 17 5.982 0.166 0.166
99 HA VAL 17 HA VAL 17 6.687 2.829 2.829
100 HB VAL 17 HB VAL 17 4.669 2.809 2.809
101 1HG1 VAL 17 HG13 VAL 17 3.373 1.654 1.654
102 2HG1 VAL 17 HG11 VAL 17 2.449 2.361 2.361
103 3HG1 VAL 17 HG12 VAL 17 3.476 0.933 0.933
104 1HG2 VAL 17 HG23 VAL 17 5.251 4.741 4.741
105 2HG2 VAL 17 HG21 VAL 17 3.658 4.722 4.722
106 3HG2 VAL 17 HG22 VAL 17 3.816 4.178 4.178
107 H VAL 18 HN VAL 18 7.945 2.439 2.439
108 HA VAL 18 HA VAL 18 6.398 1.994 1.994
109 HB VAL 18 HB VAL 18 9.342 2.271 2.271
110 1HG1 VAL 18 HG13 VAL 18 7.210 1.018 1.018
111 2HG1 VAL 18 HG11 VAL 18 8.475 -0.170 -0.170
112 3HG1 VAL 18 HG12 VAL 18 8.900 1.325 1.325
113 1HG2 VAL 18 HG22 VAL 18 7.959 0.324 0.324
114 2HG2 VAL 18 HG23 VAL 18 9.588 1.035 1.035
115 3HG2 VAL 18 HG21 VAL 18 9.279 -0.305 -0.305
116 H ILE 19 HN ILE 19 5.699 3.715 3.715
117 HA ILE 19 HA ILE 19 7.437 6.045 6.045
118 HB ILE 19 HB ILE 19 5.712 7.590 7.590
119 1HG1 ILE 19 HG12 ILE 19 3.945 5.190 5.190
120 2HG1 ILE 19 HG13 ILE 19 3.674 6.818 6.818
121 1HG2 ILE 19 HG22 ILE 19 7.094 6.435 6.435
122 2HG2 ILE 19 HG23 ILE 19 5.619 5.513 5.513
123 3HG2 ILE 19 HG21 ILE 19 5.619 7.288 7.288
124 1HD1 ILE 19 HD13 ILE 19 3.652 7.517 7.517
125 2HD1 ILE 19 HD11 ILE 19 3.439 5.779 5.779
126 3HD1 ILE 19 HD12 ILE 19 2.233 6.660 6.660
127 H ARG 20 HN ARG 20 7.629 6.720 6.720
128 HA ARG 20 HA ARG 20 6.093 5.353 5.353
129 1HB ARG 20 HB2 ARG 20 7.864 7.736 7.736
130 2HB ARG 20 HB3 ARG 20 7.602 6.289 6.289
131 1HG ARG 20 HG2 ARG 20 8.715 5.027 5.027
132 2HG ARG 20 HG3 ARG 20 9.293 6.612 6.612
133 1HD ARG 20 HD2 ARG 20 9.961 5.021 5.021
134 2HD ARG 20 HD3 ARG 20 11.055 5.782 5.782
135 HE ARG 20 HE ARG 20 9.294 7.630 7.630
136 1HH1 ARG 20 HH22 ARG 20 12.451 6.089 6.089
137 2HH1 ARG 20 HH21 ARG 20 13.232 7.255 7.255
138 1HH2 ARG 20 HH12 ARG 20 10.325 9.168 9.168
139 2HH2 ARG 20 HH11 ARG 20 12.015 9.019 9.019
140 H THR 21 HN THR 21 4.404 6.914 6.914
141 HA THR 21 HA THR 21 3.840 9.468 9.468
142 HB THR 21 HB THR 21 3.117 8.753 8.753
143 HG1 THR 21 HG1 THR 21 1.709 10.127 10.127
144 1HG2 THR 21 HG21 THR 21 2.721 6.270 6.270
145 2HG2 THR 21 HG22 THR 21 1.120 6.861 6.861
146 3HG2 THR 21 HG23 THR 21 1.604 6.955 6.955
147 H LYS 22 HN LYS 22 1.693 10.081 10.081
148 HA LYS 22 HA LYS 22 1.115 8.139 8.139
149 1HB LYS 22 HB2 LYS 22 0.888 9.968 9.968
150 2HB LYS 22 HB3 LYS 22 2.474 10.027 10.027
151 1HG LYS 22 HG2 LYS 22 1.774 11.813 11.813
152 2HG LYS 22 HG3 LYS 22 0.105 11.660 11.660
153 1HD LYS 22 HD2 LYS 22 2.453 12.774 12.774
154 2HD LYS 22 HD3 LYS 22 0.915 13.538 13.538
155 1HE LYS 22 HE2 LYS 22 -0.171 11.668 11.668
156 2HE LYS 22 HE3 LYS 22 1.452 11.254 11.254
157 1HZ LYS 22 HZ2 LYS 22 0.513 14.012 14.012
158 2HZ LYS 22 HZ3 LYS 22 0.134 12.929 12.929
159 3HZ LYS 22 HZ1 LYS 22 1.699 13.275 13.275
160 H ALA 23 HN ALA 23 -0.943 7.421 7.421
161 HA ALA 23 HA ALA 23 -2.857 8.881 8.881
162 1HB ALA 23 HB1 ALA 23 -2.875 6.117 6.117
163 2HB ALA 23 HB2 ALA 23 -4.200 6.783 6.783
164 3HB ALA 23 HB3 ALA 23 -2.602 6.502 6.502
165 H VAL 24 HN VAL 24 -3.699 10.594 10.594
166 HA VAL 24 HA VAL 24 -4.565 10.028 10.028
167 HB VAL 24 HB VAL 24 -4.711 12.558 12.558
168 1HG1 VAL 24 HG11 VAL 24 -2.227 10.908 10.908
169 2HG1 VAL 24 HG12 VAL 24 -2.040 12.677 12.677
170 3HG1 VAL 24 HG13 VAL 24 -2.919 11.815 11.815
171 1HG2 VAL 24 HG22 VAL 24 -4.662 12.762 12.762
172 2HG2 VAL 24 HG23 VAL 24 -3.644 13.893 13.893
173 3HG2 VAL 24 HG21 VAL 24 -2.907 12.483 12.483
174 H SER 25 HN SER 25 -5.574 11.108 11.108
175 HA SER 25 HA SER 25 -8.313 11.084 11.084
176 1HB SER 25 HB2 SER 25 -8.101 13.232 13.232
177 2HB SER 25 HB3 SER 25 -6.896 12.762 12.762
178 HG SER 25 HG SER 25 -8.904 13.262 13.262
179 H GLU 26 HN GLU 26 -9.974 10.271 10.271
180 HA GLU 26 HA GLU 26 -8.856 8.561 8.561
181 1HB GLU 26 HB2 GLU 26 -10.346 7.531 7.531
182 2HB GLU 26 HB3 GLU 26 -10.415 6.656 6.656
183 1HG GLU 26 HG2 GLU 26 -8.446 5.683 5.683
184 2HG GLU 26 HG3 GLU 26 -7.676 7.235 7.235
185 H LYS 27 HN LYS 27 -11.063 7.200 7.200
186 HA LYS 27 HA LYS 27 -13.358 8.934 8.934
187 1HB LYS 27 HB2 LYS 27 -11.993 10.083 10.083
188 2HB LYS 27 HB3 LYS 27 -11.720 8.590 8.590
189 1HG LYS 27 HG2 LYS 27 -13.930 8.486 8.486
190 2HG LYS 27 HG3 LYS 27 -14.572 9.436 9.436
191 1HD LYS 27 HD2 LYS 27 -14.389 10.576 10.576
192 2HD LYS 27 HD3 LYS 27 -13.853 11.488 11.488
193 1HE LYS 27 HE2 LYS 27 -11.507 10.929 10.929
194 2HE LYS 27 HE3 LYS 27 -11.966 9.812 9.812
195 1HZ LYS 27 HZ1 LYS 27 -13.151 12.033 12.033
196 2HZ LYS 27 HZ2 LYS 27 -11.853 12.675 12.675
197 3HZ LYS 27 HZ3 LYS 27 -11.644 11.598 11.598
198 H GLU 28 HN GLU 28 -14.971 7.511 7.511
199 HA GLU 28 HA GLU 28 -14.593 4.789 4.789
200 1HB GLU 28 HB2 GLU 28 -15.827 5.291 5.291
201 2HB GLU 28 HB3 GLU 28 -16.914 6.376 6.376
202 1HG GLU 28 HG2 GLU 28 -17.081 3.851 3.851
203 2HG GLU 28 HG3 GLU 28 -17.137 3.502 3.502
204 H VAL 29 HN VAL 29 -14.474 4.426 4.426
205 HA VAL 29 HA VAL 29 -16.679 5.497 5.497
206 HB VAL 29 HB VAL 29 -15.165 4.801 4.801
207 1HG1 VAL 29 HG13 VAL 29 -15.159 7.099 7.099
208 2HG1 VAL 29 HG11 VAL 29 -13.461 6.756 6.756
209 3HG1 VAL 29 HG12 VAL 29 -14.660 6.972 6.972
210 1HG2 VAL 29 HG22 VAL 29 -13.753 3.463 3.463
211 2HG2 VAL 29 HG23 VAL 29 -13.142 3.872 3.872
212 3HG2 VAL 29 HG21 VAL 29 -12.771 4.929 4.929
213 H ASP 30 HN ASP 30 -18.202 3.917 3.917
214 HA ASP 30 HA ASP 30 -17.912 1.285 1.285
215 1HB ASP 30 HB2 ASP 30 -20.358 2.467 2.467
216 2HB ASP 30 HB3 ASP 30 -20.300 1.094 1.094
217 H SER 31 HN SER 31 -17.963 -0.538 -0.538
218 HA SER 31 HA SER 31 -18.049 0.170 0.170
219 1HB SER 31 HB2 SER 31 -15.782 -0.292 -0.292
220 2HB SER 31 HB3 SER 31 -16.005 -1.386 -1.386
221 HG SER 31 HG SER 31 -16.644 -1.942 -1.942
222 H GLY 32 HN GLY 32 -20.228 -0.745 -0.745
223 1HA GLY 32 HA1 GLY 32 -21.897 -2.249 -2.249
224 2HA GLY 32 HA2 GLY 32 -21.358 -2.738 -2.738
225 H ASN 33 HN ASN 33 -22.216 -4.890 -4.890
226 HA ASN 33 HA ASN 33 -20.462 -6.082 -6.082
227 1HB ASN 33 HB2 ASN 33 -22.531 -7.573 -7.573
228 2HB ASN 33 HB3 ASN 33 -21.993 -7.936 -7.936
229 1HD2 ASN 33 HD22 ASN 33 -24.028 -5.581 -5.581
230 2HD2 ASN 33 HD21 ASN 33 -22.573 -6.519 -6.519
231 H ASP 34 HN ASP 34 -19.535 -8.383 -8.383
232 HA ASP 34 HA ASP 34 -18.232 -8.106 -8.106
233 1HB ASP 34 HB2 ASP 34 -17.196 -8.742 -8.742
234 2HB ASP 34 HB3 ASP 34 -17.699 -10.361 -10.361
235 H ILE 35 HN ILE 35 -17.623 -10.947 -10.947
236 HA ILE 35 HA ILE 35 -20.127 -11.783 -11.783
237 HB ILE 35 HB ILE 35 -17.381 -13.041 -13.041
238 1HG1 ILE 35 HG12 ILE 35 -17.434 -12.204 -12.204
239 2HG1 ILE 35 HG13 ILE 35 -18.797 -11.206 -11.206
240 1HG2 ILE 35 HG21 ILE 35 -19.995 -13.861 -13.861
241 2HG2 ILE 35 HG22 ILE 35 -18.497 -14.141 -14.141
242 3HG2 ILE 35 HG23 ILE 35 -18.691 -14.850 -14.850
243 1HD1 ILE 35 HD13 ILE 35 -16.288 -11.134 -11.134
244 2HD1 ILE 35 HD11 ILE 35 -16.345 -10.230 -10.230
245 3HD1 ILE 35 HD12 ILE 35 -17.517 -9.869 -9.869
246 H TYR 36 HN TYR 36 -18.997 -11.810 -11.810
247 HA TYR 36 HA TYR 36 -20.038 -14.504 -14.504
248 1HB TYR 36 HB2 TYR 36 -17.652 -13.362 -13.362
249 2HB TYR 36 HB3 TYR 36 -18.616 -12.652 -12.652
250 HD1 TYR 36 HD1 TYR 36 -18.512 -16.079 -16.079
251 HD2 TYR 36 HD2 TYR 36 -18.224 -13.725 -13.725
252 HE1 TYR 36 HE1 TYR 36 -18.240 -18.194 -18.194
253 HE2 TYR 36 HE2 TYR 36 -17.954 -15.847 -15.847
254 HH TYR 36 HH TYR 36 -18.582 -18.929 -18.929
255 H GLY 37 HN GLY 37 -21.057 -11.329 -11.329
256 1HA GLY 37 HA1 GLY 37 -23.119 -10.560 -10.560
257 2HA GLY 37 HA2 GLY 37 -23.249 -11.856 -11.856
258 H ASN 38 HN ASN 38 -20.176 -10.883 -10.883
259 HA ASN 38 HA ASN 38 -20.963 -9.409 -9.409
260 1HB ASN 38 HB2 ASN 38 -18.367 -9.203 -9.203
261 2HB ASN 38 HB3 ASN 38 -19.058 -10.811 -10.811
262 1HD2 ASN 38 HD22 ASN 38 -16.121 -10.951 -10.951
263 2HD2 ASN 38 HD21 ASN 38 -16.460 -10.572 -10.572
264 HA PRO 39 HA PRO 39 -20.303 -5.426 -5.426
265 1HB PRO 39 HB2 PRO 39 -19.690 -3.945 -3.945
266 2HB PRO 39 HB3 PRO 39 -21.329 -4.388 -4.388
267 1HG PRO 39 HG2 PRO 39 -19.608 -5.503 -5.503
268 2HG PRO 39 HG3 PRO 39 -21.348 -5.618 -5.618
269 1HD PRO 39 HD2 PRO 39 -19.425 -7.670 -7.670
270 2HD PRO 39 HD3 PRO 39 -21.153 -7.744 -7.744
271 H ILE 40 HN ILE 40 -18.810 -4.489 -4.489
272 HA ILE 40 HA ILE 40 -16.119 -5.307 -5.307
273 HB ILE 40 HB ILE 40 -17.361 -3.439 -3.439
274 1HG1 ILE 40 HG12 ILE 40 -16.580 -6.364 -6.364
275 2HG1 ILE 40 HG13 ILE 40 -18.192 -5.690 -5.690
276 1HG2 ILE 40 HG22 ILE 40 -14.551 -4.572 -4.572
277 2HG2 ILE 40 HG23 ILE 40 -15.254 -3.686 -3.686
278 3HG2 ILE 40 HG21 ILE 40 -15.021 -2.866 -2.866
279 1HD1 ILE 40 HD11 ILE 40 -16.989 -4.290 -4.290
280 2HD1 ILE 40 HD12 ILE 40 -16.002 -5.770 -5.770
281 3HD1 ILE 40 HD13 ILE 40 -17.764 -5.872 -5.872
282 H LYS 41 HN LYS 41 -16.803 -1.948 -1.948
283 HA LYS 41 HA LYS 41 -16.334 -0.009 -0.009
284 1HB LYS 41 HB2 LYS 41 -17.616 -0.995 -0.995
285 2HB LYS 41 HB3 LYS 41 -16.074 -1.429 -1.429
286 1HG LYS 41 HG2 LYS 41 -15.362 0.988 0.988
287 2HG LYS 41 HG3 LYS 41 -16.945 1.396 1.396
288 1HD LYS 41 HD2 LYS 41 -16.992 -0.195 -0.195
289 2HD LYS 41 HD3 LYS 41 -16.280 1.398 1.398
290 1HE LYS 41 HE2 LYS 41 -18.411 2.212 2.212
291 2HE LYS 41 HE3 LYS 41 -19.094 0.671 0.671
292 1HZ LYS 41 HZ3 LYS 41 -17.845 1.926 1.926
293 2HZ LYS 41 HZ1 LYS 41 -18.951 2.926 2.926
294 3HZ LYS 41 HZ2 LYS 41 -19.396 1.440 1.440
295 H ARG 42 HN ARG 42 -14.454 0.973 0.973
296 HA ARG 42 HA ARG 42 -12.047 -0.352 -0.352
297 1HB ARG 42 HB2 ARG 42 -11.224 1.085 1.085
298 2HB ARG 42 HB3 ARG 42 -11.523 -0.642 -0.642
299 1HG ARG 42 HG2 ARG 42 -13.976 -0.137 -0.137
300 2HG ARG 42 HG3 ARG 42 -13.516 1.536 1.536
301 1HD ARG 42 HD2 ARG 42 -11.729 0.608 0.608
302 2HD ARG 42 HD3 ARG 42 -12.630 -0.893 -0.893
303 HE ARG 42 HE ARG 42 -14.573 1.055 1.055
304 1HH1 ARG 42 HH22 ARG 42 -11.614 0.023 0.023
305 2HH1 ARG 42 HH21 ARG 42 -12.162 0.471 0.471
306 1HH2 ARG 42 HH12 ARG 42 -15.296 1.646 1.646
307 2HH2 ARG 42 HH11 ARG 42 -14.270 1.400 1.400
308 H ILE 43 HN ILE 43 -12.617 1.261 1.261
309 HA ILE 43 HA ILE 43 -12.737 3.923 3.923
310 HB ILE 43 HB ILE 43 -11.722 1.967 1.967
311 1HG1 ILE 43 HG12 ILE 43 -13.115 3.257 3.257
312 2HG1 ILE 43 HG13 ILE 43 -13.313 4.525 4.525
313 1HG2 ILE 43 HG23 ILE 43 -9.736 3.372 3.372
314 2HG2 ILE 43 HG21 ILE 43 -10.734 4.826 4.826
315 3HG2 ILE 43 HG22 ILE 43 -10.625 3.600 3.600
316 1HD1 ILE 43 HD12 ILE 43 -14.394 2.879 2.879
317 2HD1 ILE 43 HD13 ILE 43 -14.242 1.632 1.632
318 3HD1 ILE 43 HD11 ILE 43 -15.280 3.051 3.051
319 H GLN 44 HN GLN 44 -11.282 5.719 5.719
320 HA GLN 44 HA GLN 44 -9.002 5.115 5.115
321 1HB GLN 44 HB2 GLN 44 -10.360 7.722 7.722
322 2HB GLN 44 HB3 GLN 44 -8.899 7.672 7.672
323 1HG GLN 44 HG2 GLN 44 -11.657 6.620 6.620
324 2HG GLN 44 HG3 GLN 44 -10.676 7.774 7.774
325 1HE2 GLN 44 HE22 GLN 44 -10.100 3.704 3.704
326 2HE2 GLN 44 HE21 GLN 44 -11.054 4.411 4.411
327 H TYR 45 HN TYR 45 -7.054 6.856 6.856
328 HA TYR 45 HA TYR 45 -6.559 6.814 6.814
329 1HB TYR 45 HB2 TYR 45 -5.179 5.468 5.468
330 2HB TYR 45 HB3 TYR 45 -4.094 6.289 6.289
331 HD1 TYR 45 HD2 TYR 45 -5.817 5.752 5.752
332 HD2 TYR 45 HD1 TYR 45 -4.423 3.237 3.237
333 HE1 TYR 45 HE2 TYR 45 -5.886 3.740 3.740
334 HE2 TYR 45 HE1 TYR 45 -4.497 1.235 1.235
335 HH TYR 45 HH TYR 45 -5.228 1.649 1.649
336 H GLU 46 HN GLU 46 -7.300 9.145 9.145
337 HA GLU 46 HA GLU 46 -5.650 10.723 10.723
338 1HB GLU 46 HB2 GLU 46 -8.057 11.105 11.105
339 2HB GLU 46 HB3 GLU 46 -7.114 11.897 11.897
340 1HG GLU 46 HG2 GLU 46 -6.138 13.448 13.448
341 2HG GLU 46 HG3 GLU 46 -6.812 12.559 12.559
342 H ILE 47 HN ILE 47 -3.540 9.713 9.713
343 HA ILE 47 HA ILE 47 -2.677 10.372 10.372
344 HB ILE 47 HB ILE 47 -0.481 9.671 9.671
345 1HG1 ILE 47 HG12 ILE 47 -1.815 9.881 9.881
346 2HG1 ILE 47 HG13 ILE 47 -0.254 10.487 10.487
347 1HG2 ILE 47 HG21 ILE 47 -2.834 8.129 8.129
348 2HG2 ILE 47 HG22 ILE 47 -1.935 7.511 7.511
349 3HG2 ILE 47 HG23 ILE 47 -1.149 7.588 7.588
350 1HD1 ILE 47 HD11 ILE 47 -0.160 7.666 7.666
351 2HD1 ILE 47 HD12 ILE 47 -0.902 7.924 7.924
352 3HD1 ILE 47 HD13 ILE 47 0.700 8.613 8.613
353 H LYS 48 HN LYS 48 -0.248 11.594 11.594
354 HA LYS 48 HA LYS 48 -0.863 14.190 14.190
355 1HB LYS 48 HB2 LYS 48 -1.038 13.854 13.854
356 2HB LYS 48 HB3 LYS 48 0.704 14.016 14.016
357 1HG LYS 48 HG2 LYS 48 -0.190 16.079 16.079
358 2HG LYS 48 HG3 LYS 48 -1.389 16.065 16.065
359 1HD LYS 48 HD2 LYS 48 1.585 16.574 16.574
360 2HD LYS 48 HD3 LYS 48 0.264 17.510 17.510
361 1HE LYS 48 HE2 LYS 48 -0.080 15.066 15.066
362 2HE LYS 48 HE3 LYS 48 1.664 15.144 15.144
363 1HZ LYS 48 HZ1 LYS 48 0.432 17.586 17.586
364 2HZ LYS 48 HZ2 LYS 48 0.274 16.351 16.351
365 3HZ LYS 48 HZ3 LYS 48 1.760 16.832 16.832
366 H GLN 49 HN GLN 49 0.869 11.541 11.541
367 HA GLN 49 HA GLN 49 2.932 11.039 11.039
368 1HB GLN 49 HB2 GLN 49 2.250 13.521 13.521
369 2HB GLN 49 HB3 GLN 49 3.739 12.647 12.647
370 1HG GLN 49 HG2 GLN 49 1.074 11.185 11.185
371 2HG GLN 49 HG3 GLN 49 1.607 11.998 11.998
372 1HE2 GLN 49 HE22 GLN 49 4.682 9.939 9.939
373 2HE2 GLN 49 HE21 GLN 49 4.276 11.616 11.616
374 H ILE 50 HN ILE 50 4.502 11.102 11.102
375 HA ILE 50 HA ILE 50 5.664 13.739 13.739
376 HB ILE 50 HB ILE 50 5.652 13.275 13.275
377 1HG1 ILE 50 HG12 ILE 50 6.800 10.631 10.631
378 2HG1 ILE 50 HG13 ILE 50 7.522 11.907 11.907
379 1HG2 ILE 50 HG22 ILE 50 3.391 12.440 12.440
380 2HG2 ILE 50 HG23 ILE 50 4.030 10.799 10.799
381 3HG2 ILE 50 HG21 ILE 50 3.897 11.929 11.929
382 1HD1 ILE 50 HD13 ILE 50 5.827 11.410 11.410
383 2HD1 ILE 50 HD11 ILE 50 5.299 10.007 10.007
384 3HD1 ILE 50 HD12 ILE 50 6.962 10.079 10.079
385 H LYS 51 HN LYS 51 6.223 10.345 10.345
386 HA LYS 51 HA LYS 51 8.856 11.152 11.152
387 1HB LYS 51 HB2 LYS 51 8.516 9.692 9.692
388 2HB LYS 51 HB3 LYS 51 9.068 8.537 8.537
389 1HG LYS 51 HG2 LYS 51 10.710 10.677 10.677
390 2HG LYS 51 HG3 LYS 51 10.485 10.900 10.900
391 1HD LYS 51 HD2 LYS 51 11.645 8.980 8.980
392 2HD LYS 51 HD3 LYS 51 11.037 8.088 8.088
393 1HE LYS 51 HE2 LYS 51 12.627 9.136 9.136
394 2HE LYS 51 HE3 LYS 51 13.068 10.340 10.340
395 1HZ LYS 51 HZ3 LYS 51 13.927 8.529 8.529
396 2HZ LYS 51 HZ1 LYS 51 13.590 7.455 7.455
397 3HZ LYS 51 HZ2 LYS 51 14.698 8.629 8.629
398 H MET 52 HN MET 52 9.769 9.486 9.486
399 HA MET 52 HA MET 52 7.724 7.736 7.736
400 1HB MET 52 HB2 MET 52 7.453 9.809 9.809
401 2HB MET 52 HB3 MET 52 9.184 9.942 9.942
402 1HG MET 52 HG2 MET 52 8.506 7.356 7.356
403 2HG MET 52 HG3 MET 52 7.219 8.401 8.401
404 1HE MET 52 HE1 MET 52 7.982 10.884 10.884
405 2HE MET 52 HE2 MET 52 9.662 11.378 11.378
406 3HE MET 52 HE3 MET 52 8.553 11.071 11.071
407 H PHE 53 HN PHE 53 9.332 6.259 6.259
408 HA PHE 53 HA PHE 53 11.921 5.939 5.939
409 1HB PHE 53 HB2 PHE 53 9.518 4.169 4.169
410 2HB PHE 53 HB3 PHE 53 10.918 3.338 3.338
411 HD1 PHE 53 HD2 PHE 53 13.153 4.533 4.533
412 HD2 PHE 53 HD1 PHE 53 9.288 3.527 3.527
413 HE1 PHE 53 HE2 PHE 53 14.079 4.284 4.284
414 HE2 PHE 53 HE1 PHE 53 10.215 3.278 3.278
415 HZ PHE 53 HZ PHE 53 12.599 3.660 3.660
416 H LYS 54 HN LYS 54 9.725 3.871 3.871
417 HA LYS 54 HA LYS 54 11.366 4.585 4.585
418 1HB LYS 54 HB2 LYS 54 11.502 2.143 2.143
419 2HB LYS 54 HB3 LYS 54 10.451 1.813 1.813
420 1HG LYS 54 HG2 LYS 54 12.826 1.446 1.446
421 2HG LYS 54 HG3 LYS 54 12.128 2.737 2.737
422 1HD LYS 54 HD2 LYS 54 13.176 3.945 3.945
423 2HD LYS 54 HD3 LYS 54 14.403 2.844 2.844
424 1HE LYS 54 HE2 LYS 54 14.406 3.908 3.908
425 2HE LYS 54 HE3 LYS 54 13.000 4.872 4.872
426 1HZ LYS 54 HZ3 LYS 54 15.351 5.088 5.088
427 2HZ LYS 54 HZ1 LYS 54 15.365 5.835 5.835
428 3HZ LYS 54 HZ2 LYS 54 14.221 6.214 6.214
429 H GLY 55 HN GLY 55 9.458 6.130 6.130
430 1HA GLY 55 HA1 GLY 55 7.136 4.728 4.728
431 2HA GLY 55 HA2 GLY 55 7.041 6.239 6.239
432 HA PRO 56 HA PRO 56 7.498 7.324 7.324
433 1HB PRO 56 HB2 PRO 56 5.305 8.942 8.942
434 2HB PRO 56 HB3 PRO 56 5.285 7.241 7.241
435 1HG PRO 56 HG2 PRO 56 4.162 8.569 8.569
436 2HG PRO 56 HG3 PRO 56 3.797 6.982 6.982
437 1HD PRO 56 HD2 PRO 56 5.436 7.569 7.569
438 2HD PRO 56 HD3 PRO 56 5.164 5.994 5.994
439 H GLU 57 HN GLU 57 7.247 9.735 9.735
440 HA GLU 57 HA GLU 57 9.004 11.190 11.190
441 1HB GLU 57 HB2 GLU 57 8.239 12.218 12.218
442 2HB GLU 57 HB3 GLU 57 9.784 12.298 12.298
443 1HG GLU 57 HG2 GLU 57 9.881 9.715 9.715
444 2HG GLU 57 HG3 GLU 57 8.534 9.880 9.880
445 H LYS 58 HN LYS 58 5.734 11.311 11.311
446 HA LYS 58 HA LYS 58 5.264 14.024 14.024
447 1HB LYS 58 HB2 LYS 58 4.116 12.415 12.415
448 2HB LYS 58 HB3 LYS 58 3.054 12.044 12.044
449 1HG LYS 58 HG2 LYS 58 1.903 13.931 13.931
450 2HG LYS 58 HG3 LYS 58 3.259 14.839 14.839
451 1HD LYS 58 HD2 LYS 58 3.310 13.833 13.833
452 2HD LYS 58 HD3 LYS 58 2.442 15.303 15.303
453 1HE LYS 58 HE2 LYS 58 4.879 15.677 15.677
454 2HE LYS 58 HE3 LYS 58 5.364 14.821 14.821
455 1HZ LYS 58 HZ3 LYS 58 3.837 16.509 16.509
456 2HZ LYS 58 HZ1 LYS 58 4.012 17.390 17.390
457 3HZ LYS 58 HZ2 LYS 58 5.323 16.989 16.989
458 H ASP 59 HN ASP 59 3.429 11.151 11.151
459 HA ASP 59 HA ASP 59 4.032 10.879 10.879
460 1HB ASP 59 HB2 ASP 59 4.186 13.229 13.229
461 2HB ASP 59 HB3 ASP 59 2.641 13.578 13.578
462 H ILE 60 HN ILE 60 2.042 10.325 10.325
463 HA ILE 60 HA ILE 60 -0.216 9.639 9.639
464 HB ILE 60 HB ILE 60 0.314 8.289 8.289
465 1HG1 ILE 60 HG12 ILE 60 2.483 8.432 8.432
466 2HG1 ILE 60 HG13 ILE 60 1.949 6.845 6.845
467 1HG2 ILE 60 HG21 ILE 60 -1.752 7.936 7.936
468 2HG2 ILE 60 HG22 ILE 60 -0.677 7.133 7.133
469 3HG2 ILE 60 HG23 ILE 60 -0.847 6.479 6.479
470 1HD1 ILE 60 HD11 ILE 60 1.060 7.874 7.874
471 2HD1 ILE 60 HD12 ILE 60 2.706 7.227 7.227
472 3HD1 ILE 60 HD13 ILE 60 1.297 6.195 6.195
473 H GLU 61 HN GLU 61 0.116 9.847 9.847
474 HA GLU 61 HA GLU 61 -0.882 11.106 11.106
475 1HB GLU 61 HB2 GLU 61 -0.996 12.819 12.819
476 2HB GLU 61 HB3 GLU 61 -2.445 13.034 13.034
477 1HG GLU 61 HG2 GLU 61 -1.308 14.010 14.010
478 2HG GLU 61 HG3 GLU 61 0.040 12.897 12.897
479 H PHE 62 HN PHE 62 -2.416 9.410 9.410
480 HA PHE 62 HA PHE 62 -4.819 9.181 9.181
481 1HB PHE 62 HB2 PHE 62 -4.469 10.291 10.291
482 2HB PHE 62 HB3 PHE 62 -5.668 9.014 9.014
483 HD1 PHE 62 HD1 PHE 62 -7.723 9.294 9.294
484 HD2 PHE 62 HD2 PHE 62 -4.865 12.418 12.418
485 HE1 PHE 62 HE1 PHE 62 -9.427 10.931 10.931
486 HE2 PHE 62 HE2 PHE 62 -6.570 14.055 14.055
487 HZ PHE 62 HZ PHE 62 -8.831 13.292 13.292
488 H ILE 63 HN ILE 63 -4.226 7.086 7.086
489 HA ILE 63 HA ILE 63 -3.735 5.160 5.160
490 HB ILE 63 HB ILE 63 -3.443 4.494 4.494
491 1HG1 ILE 63 HG12 ILE 63 -2.315 6.832 6.832
492 2HG1 ILE 63 HG13 ILE 63 -1.723 5.850 5.850
493 1HG2 ILE 63 HG23 ILE 63 -2.217 3.648 3.648
494 2HG2 ILE 63 HG21 ILE 63 -1.378 3.341 3.341
495 3HG2 ILE 63 HG22 ILE 63 -3.000 2.666 2.666
496 1HD1 ILE 63 HD11 ILE 63 -0.865 5.322 5.322
497 2HD1 ILE 63 HD12 ILE 63 -0.015 6.488 6.488
498 3HD1 ILE 63 HD13 ILE 63 -0.084 4.770 4.770
499 H TYR 64 HN TYR 64 -4.734 2.900 2.900
500 HA TYR 64 HA TYR 64 -7.475 3.313 3.313
501 1HB TYR 64 HB2 TYR 64 -6.262 1.808 1.808
502 2HB TYR 64 HB3 TYR 64 -7.892 1.472 1.472
503 HD1 TYR 64 HD1 TYR 64 -5.866 4.560 4.560
504 HD2 TYR 64 HD2 TYR 64 -9.545 2.450 2.450
505 HE1 TYR 64 HE1 TYR 64 -6.745 6.463 6.463
506 HE2 TYR 64 HE2 TYR 64 -10.412 4.360 4.360
507 HH TYR 64 HH TYR 64 -9.806 6.986 6.986
508 H THR 65 HN THR 65 -8.505 1.457 1.457
509 HA THR 65 HA THR 65 -7.121 -0.993 -0.993
510 HB THR 65 HB THR 65 -5.703 0.476 0.476
511 HG1 THR 65 HG1 THR 65 -6.467 -1.837 -1.837
512 1HG2 THR 65 HG23 THR 65 -8.426 1.062 1.062
513 2HG2 THR 65 HG21 THR 65 -7.000 0.992 0.992
514 3HG2 THR 65 HG22 THR 65 -7.061 2.173 2.173
515 H ALA 66 HN ALA 66 -8.263 -1.807 -1.807
516 HA ALA 66 HA ALA 66 -11.102 -1.637 -1.637
517 1HB ALA 66 HB2 ALA 66 -9.280 -3.846 -3.846
518 2HB ALA 66 HB3 ALA 66 -10.774 -3.865 -3.865
519 3HB ALA 66 HB1 ALA 66 -10.865 -3.879 -3.879
520 HA PRO 67 HA PRO 67 -11.811 0.106 0.106
521 1HB PRO 67 HB2 PRO 67 -14.463 -0.454 -0.454
522 2HB PRO 67 HB3 PRO 67 -13.886 0.871 0.871
523 1HG PRO 67 HG2 PRO 67 -15.002 -1.731 -1.731
524 2HG PRO 67 HG3 PRO 67 -14.822 -0.258 -0.258
525 1HD PRO 67 HD2 PRO 67 -13.173 -2.600 -2.600
526 2HD PRO 67 HD3 PRO 67 -12.925 -1.086 -1.086
527 H SER 68 HN SER 68 -13.629 -0.674 -0.674
528 HA SER 68 HA SER 68 -13.668 -1.914 -1.914
529 1HB SER 68 HB2 SER 68 -13.354 -3.918 -3.918
530 2HB SER 68 HB3 SER 68 -12.967 -4.512 -4.512
531 HG SER 68 HG SER 68 -15.457 -3.415 -3.415
532 H SER 69 HN SER 69 -12.139 -4.014 -4.014
533 HA SER 69 HA SER 69 -9.784 -2.640 -2.640
534 1HB SER 69 HB2 SER 69 -10.902 -4.113 -4.113
535 2HB SER 69 HB3 SER 69 -10.671 -5.502 -5.502
536 HG SER 69 HG SER 69 -8.538 -5.608 -5.608
537 H ALA 70 HN ALA 70 -9.500 -2.648 -2.648
538 HA ALA 70 HA ALA 70 -8.267 -3.269 -3.269
539 1HB ALA 70 HB1 ALA 70 -6.639 -3.308 -3.308
540 2HB ALA 70 HB2 ALA 70 -6.214 -4.786 -4.786
541 3HB ALA 70 HB3 ALA 70 -6.102 -3.198 -3.198
542 H VAL 71 HN VAL 71 -9.633 -4.682 -4.682
543 HA VAL 71 HA VAL 71 -9.475 -7.498 -7.498
544 HB VAL 71 HB VAL 71 -11.599 -7.703 -7.703
545 1HG1 VAL 71 HG12 VAL 71 -11.400 -5.479 -5.479
546 2HG1 VAL 71 HG13 VAL 71 -11.793 -4.703 -4.703
547 3HG1 VAL 71 HG11 VAL 71 -12.933 -5.859 -5.859
548 1HG2 VAL 71 HG22 VAL 71 -10.885 -5.928 -5.928
549 2HG2 VAL 71 HG23 VAL 71 -11.269 -7.666 -7.666
550 3HG2 VAL 71 HG21 VAL 71 -12.551 -6.470 -6.470
551 H CYS 72 HN CYS 72 -8.902 -5.157 -5.157
552 HA CYS 72 HA CYS 72 -7.457 -7.304 -7.304
553 1HB CYS 72 HB2 CYS 72 -8.902 -5.087 -5.087
554 2HB CYS 72 HB3 CYS 72 -8.153 -6.516 -6.516
555 H GLY 73 HN GLY 73 -6.923 -4.933 -4.933
556 1HA GLY 73 HA1 GLY 73 -4.520 -4.016 -4.016
557 2HA GLY 73 HA2 GLY 73 -5.702 -2.769 -2.769
558 H VAL 74 HN VAL 74 -4.312 -1.721 -1.721
559 HA VAL 74 HA VAL 74 -4.010 -3.251 -3.251
560 HB VAL 74 HB VAL 74 -2.236 -1.092 -1.092
561 1HG1 VAL 74 HG12 VAL 74 -2.120 -2.585 -2.585
562 2HG1 VAL 74 HG13 VAL 74 -0.743 -1.693 -1.693
563 3HG1 VAL 74 HG11 VAL 74 -2.239 -0.829 -0.829
564 1HG2 VAL 74 HG22 VAL 74 -2.241 -3.602 -3.602
565 2HG2 VAL 74 HG23 VAL 74 -0.722 -2.707 -2.707
566 3HG2 VAL 74 HG21 VAL 74 -1.286 -3.866 -3.866
567 H SER 75 HN SER 75 -5.947 -1.084 -1.084
568 HA SER 75 HA SER 75 -6.905 0.850 0.850
569 1HB SER 75 HB2 SER 75 -8.529 0.469 0.469
570 2HB SER 75 HB3 SER 75 -8.269 -1.048 -1.048
571 HG SER 75 HG SER 75 -7.546 -0.286 -0.286
572 H LEU 76 HN LEU 76 -5.004 2.251 2.251
573 HA LEU 76 HA LEU 76 -4.206 2.640 2.640
574 1HB LEU 76 HB2 LEU 76 -2.726 4.037 4.037
575 2HB LEU 76 HB3 LEU 76 -2.150 3.177 3.177
576 HG LEU 76 HG LEU 76 -3.064 1.107 1.107
577 1HD1 LEU 76 HD13 LEU 76 -3.031 3.263 3.263
578 2HD1 LEU 76 HD11 LEU 76 -1.515 2.392 2.392
579 3HD1 LEU 76 HD12 LEU 76 -3.072 1.534 1.534
580 1HD2 LEU 76 HD21 LEU 76 -0.594 2.100 2.100
581 2HD2 LEU 76 HD22 LEU 76 -1.013 0.441 0.441
582 3HD2 LEU 76 HD23 LEU 76 -0.332 1.577 1.577
583 H ASP 77 HN ASP 77 -4.755 4.478 4.478
584 HA ASP 77 HA ASP 77 -6.102 6.497 6.497
585 1HB ASP 77 HB2 ASP 77 -7.010 7.037 7.037
586 2HB ASP 77 HB3 ASP 77 -7.817 5.913 5.913
587 H VAL 78 HN VAL 78 -3.361 5.689 5.689
588 HA VAL 78 HA VAL 78 -1.611 6.888 6.888
589 HB VAL 78 HB VAL 78 -3.229 9.046 9.046
590 1HG1 VAL 78 HG13 VAL 78 -0.953 9.435 9.435
591 2HG1 VAL 78 HG11 VAL 78 -1.064 10.484 10.484
592 3HG1 VAL 78 HG12 VAL 78 -2.407 10.428 10.428
593 1HG2 VAL 78 HG21 VAL 78 -1.754 7.366 7.366
594 2HG2 VAL 78 HG22 VAL 78 -1.480 9.089 9.089
595 3HG2 VAL 78 HG23 VAL 78 -0.365 8.214 8.214
596 H GLY 79 HN GLY 79 -4.829 7.239 7.239
597 1HA GLY 79 HA1 GLY 79 -4.252 8.924 8.924
598 2HA GLY 79 HA2 GLY 79 -5.731 8.049 8.049
599 H GLY 80 HN GLY 80 -3.582 5.649 5.649
600 1HA GLY 80 HA1 GLY 80 -3.305 4.984 4.984
601 2HA GLY 80 HA2 GLY 80 -3.977 3.848 3.848
602 H LYS 81 HN LYS 81 -2.115 4.906 4.906
603 HA LYS 81 HA LYS 81 0.216 3.374 3.374
604 1HB LYS 81 HB2 LYS 81 0.426 3.759 3.759
605 2HB LYS 81 HB3 LYS 81 -0.129 2.311 2.311
606 1HG LYS 81 HG2 LYS 81 -1.992 4.624 4.624
607 2HG LYS 81 HG3 LYS 81 -1.713 3.278 3.278
608 1HD LYS 81 HD2 LYS 81 -3.003 1.844 1.844
609 2HD LYS 81 HD3 LYS 81 -2.353 2.417 2.417
610 1HE LYS 81 HE2 LYS 81 -4.117 3.820 3.820
611 2HE LYS 81 HE3 LYS 81 -3.993 4.489 4.489
612 1HZ LYS 81 HZ1 LYS 81 -5.014 1.805 1.805
613 2HZ LYS 81 HZ2 LYS 81 -5.982 2.962 2.962
614 3HZ LYS 81 HZ3 LYS 81 -5.503 3.054 3.054
615 H LYS 82 HN LYS 82 0.372 5.554 5.554
616 HA LYS 82 HA LYS 82 1.072 7.928 7.928
617 1HB LYS 82 HB2 LYS 82 3.625 7.737 7.737
618 2HB LYS 82 HB3 LYS 82 2.660 7.201 7.201
619 1HG LYS 82 HG2 LYS 82 2.893 4.934 4.934
620 2HG LYS 82 HG3 LYS 82 4.488 5.659 5.659
621 1HD LYS 82 HD2 LYS 82 4.845 4.846 4.846
622 2HD LYS 82 HD3 LYS 82 3.441 5.702 5.702
623 1HE LYS 82 HE2 LYS 82 2.095 3.834 3.834
624 2HE LYS 82 HE3 LYS 82 2.787 3.265 3.265
625 1HZ LYS 82 HZ1 LYS 82 4.781 3.084 3.084
626 2HZ LYS 82 HZ2 LYS 82 3.443 2.514 2.514
627 3HZ LYS 82 HZ3 LYS 82 3.939 1.851 1.851
628 H GLU 83 HN GLU 83 2.781 5.392 5.392
629 HA GLU 83 HA GLU 83 1.943 6.598 6.598
630 1HB GLU 83 HB2 GLU 83 4.682 6.882 6.882
631 2HB GLU 83 HB3 GLU 83 3.535 8.186 8.186
632 1HG GLU 83 HG2 GLU 83 5.402 8.482 8.482
633 2HG GLU 83 HG3 GLU 83 3.954 8.108 8.108
634 H TYR 84 HN TYR 84 3.187 5.510 5.510
635 HA TYR 84 HA TYR 84 4.414 2.989 2.989
636 1HB TYR 84 HB2 TYR 84 2.648 1.811 1.811
637 2HB TYR 84 HB3 TYR 84 1.981 2.488 2.488
638 HD1 TYR 84 HD2 TYR 84 2.670 3.659 3.659
639 HD2 TYR 84 HD1 TYR 84 -0.061 3.550 3.550
640 HE1 TYR 84 HE2 TYR 84 0.964 4.960 4.960
641 HE2 TYR 84 HE1 TYR 84 -1.759 4.852 4.852
642 HH TYR 84 HH TYR 84 -1.954 5.018 5.018
643 H LEU 85 HN LEU 85 5.470 1.953 1.953
644 HA LEU 85 HA LEU 85 6.249 3.901 3.901
645 1HB LEU 85 HB2 LEU 85 7.847 2.112 2.112
646 2HB LEU 85 HB3 LEU 85 8.012 2.697 2.697
647 HG LEU 85 HG LEU 85 8.167 0.141 0.141
648 1HD1 LEU 85 HD11 LEU 85 7.773 1.599 1.599
649 2HD1 LEU 85 HD12 LEU 85 6.404 0.464 0.464
650 3HD1 LEU 85 HD13 LEU 85 8.070 -0.155 -0.155
651 1HD2 LEU 85 HD23 LEU 85 5.165 0.509 0.509
652 2HD2 LEU 85 HD21 LEU 85 6.079 -0.065 -0.065
653 3HD2 LEU 85 HD22 LEU 85 6.025 -1.048 -1.048
654 H ILE 86 HN ILE 86 3.570 2.042 2.042
655 HA ILE 86 HA ILE 86 2.578 0.538 0.538
656 HB ILE 86 HB ILE 86 2.050 3.368 3.368
657 1HG1 ILE 86 HG12 ILE 86 -0.224 2.654 2.654
658 2HG1 ILE 86 HG13 ILE 86 0.139 1.069 1.069
659 1HG2 ILE 86 HG23 ILE 86 1.752 1.899 1.899
660 2HG2 ILE 86 HG21 ILE 86 0.554 3.128 3.128
661 3HG2 ILE 86 HG22 ILE 86 2.270 3.573 3.573
662 1HD1 ILE 86 HD13 ILE 86 1.860 1.631 1.631
663 2HD1 ILE 86 HD11 ILE 86 0.143 1.822 1.822
664 3HD1 ILE 86 HD12 ILE 86 0.723 0.283 0.283
665 H ALA 87 HN ALA 87 3.774 -0.832 -0.832
666 HA ALA 87 HA ALA 87 4.768 0.335 0.335
667 1HB ALA 87 HB3 ALA 87 6.224 -1.020 -1.020
668 2HB ALA 87 HB1 ALA 87 6.339 -1.930 -1.930
669 3HB ALA 87 HB2 ALA 87 6.845 -0.225 -0.225
670 H GLY 88 HN GLY 88 3.430 -0.395 -0.395
671 1HA GLY 88 HA1 GLY 88 2.849 -3.275 -3.275
672 2HA GLY 88 HA2 GLY 88 1.514 -2.140 -2.140
673 H LYS 89 HN LYS 89 1.463 -3.600 -3.600
674 HA LYS 89 HA LYS 89 3.212 -3.150 -3.150
675 1HB LYS 89 HB2 LYS 89 1.310 -3.778 -3.778
676 2HB LYS 89 HB3 LYS 89 1.541 -4.868 -4.868
677 1HG LYS 89 HG2 LYS 89 -0.208 -2.922 -2.922
678 2HG LYS 89 HG3 LYS 89 -0.754 -3.123 -3.123
679 1HD LYS 89 HD2 LYS 89 -1.343 -5.365 -5.365
680 2HD LYS 89 HD3 LYS 89 -0.146 -5.625 -5.625
681 1HE LYS 89 HE2 LYS 89 -1.736 -5.286 -5.286
682 2HE LYS 89 HE3 LYS 89 -1.938 -3.639 -3.639
683 1HZ LYS 89 HZ1 LYS 89 -3.201 -5.521 -5.521
684 2HZ LYS 89 HZ2 LYS 89 -3.777 -5.596 -5.596
685 3HZ LYS 89 HZ3 LYS 89 -3.818 -4.184 -4.184
686 H ALA 90 HN ALA 90 0.640 -1.067 -1.067
687 HA ALA 90 HA ALA 90 0.435 1.153 1.153
688 1HB ALA 90 HB1 ALA 90 2.970 0.786 0.786
689 2HB ALA 90 HB2 ALA 90 2.103 1.545 1.545
690 3HB ALA 90 HB3 ALA 90 2.167 2.358 2.358
691 H GLU 91 HN GLU 91 -0.373 2.767 2.767
692 HA GLU 91 HA GLU 91 -1.760 1.172 1.172
693 1HB GLU 91 HB2 GLU 91 -3.143 1.887 1.887
694 2HB GLU 91 HB3 GLU 91 -3.190 3.457 3.457
695 1HG GLU 91 HG2 GLU 91 -5.172 2.048 2.048
696 2HG GLU 91 HG3 GLU 91 -4.241 2.508 2.508
697 H GLY 92 HN GLY 92 0.508 3.443 3.443
698 1HA GLY 92 HA1 GLY 92 1.189 4.460 4.460
699 2HA GLY 92 HA2 GLY 92 -0.394 5.209 5.209
700 H ASP 93 HN ASP 93 -0.375 7.310 7.310
701 HA ASP 93 HA ASP 93 1.434 7.952 7.952
702 1HB ASP 93 HB2 ASP 93 1.468 8.962 8.962
703 2HB ASP 93 HB3 ASP 93 0.969 10.274 10.274
704 H GLY 94 HN GLY 94 0.521 9.441 9.441
705 1HA GLY 94 HA1 GLY 94 -1.019 10.848 10.848
706 2HA GLY 94 HA2 GLY 94 -1.936 10.836 10.836
707 H LYS 95 HN LYS 95 -1.327 7.612 7.612
708 HA LYS 95 HA LYS 95 -2.997 6.975 6.975
709 1HB LYS 95 HB2 LYS 95 -5.092 6.567 6.567
710 2HB LYS 95 HB3 LYS 95 -4.651 8.083 8.083
711 1HG LYS 95 HG2 LYS 95 -4.167 5.366 5.366
712 2HG LYS 95 HG3 LYS 95 -5.618 6.309 6.309
713 1HD LYS 95 HD2 LYS 95 -2.759 7.174 7.174
714 2HD LYS 95 HD3 LYS 95 -3.994 6.739 6.739
715 1HE LYS 95 HE2 LYS 95 -3.972 9.164 9.164
716 2HE LYS 95 HE3 LYS 95 -3.908 9.164 9.164
717 1HZ LYS 95 HZ1 LYS 95 -6.141 7.903 7.903
718 2HZ LYS 95 HZ2 LYS 95 -6.172 8.654 8.654
719 3HZ LYS 95 HZ3 LYS 95 -6.096 9.534 9.534
720 H MET 96 HN MET 96 -2.986 4.723 4.723
721 HA MET 96 HA MET 96 -1.920 3.083 3.083
722 1HB MET 96 HB2 MET 96 -0.363 2.145 2.145
723 2HB MET 96 HB3 MET 96 0.188 3.414 3.414
724 1HG MET 96 HG2 MET 96 0.187 4.970 4.970
725 2HG MET 96 HG3 MET 96 -1.425 4.522 4.522
726 1HE MET 96 HE3 MET 96 1.955 4.781 4.781
727 2HE MET 96 HE1 MET 96 1.652 4.866 4.866
728 3HE MET 96 HE2 MET 96 2.587 3.511 3.511
729 H HIS 97 HN HIS 97 -1.435 0.732 0.732
730 HA HIS 97 HA HIS 97 -3.988 0.313 0.313
731 1HB HIS 97 HB2 HIS 97 -2.951 -0.956 -0.956
732 2HB HIS 97 HB3 HIS 97 -3.348 -2.126 -2.126
733 HD1 HIS 97 HD1 HIS 97 -5.265 -2.780 -2.780
734 HD2 HIS 97 HD2 HIS 97 -5.747 0.857 0.857
735 HE1 HIS 97 HE1 HIS 97 -7.706 -2.104 -2.104
736 H ILE 98 HN ILE 98 -3.839 -0.700 -0.700
737 HA ILE 98 HA ILE 98 -1.419 -2.209 -2.209
738 HB ILE 98 HB ILE 98 -0.976 -1.020 -1.020
739 1HG1 ILE 98 HG12 ILE 98 -3.387 0.635 0.635
740 2HG1 ILE 98 HG13 ILE 98 -3.112 -0.275 -0.275
741 1HG2 ILE 98 HG22 ILE 98 -0.182 -0.242 -0.242
742 2HG2 ILE 98 HG23 ILE 98 -1.128 1.208 1.208
743 3HG2 ILE 98 HG21 ILE 98 0.214 0.690 0.690
744 1HD1 ILE 98 HD11 ILE 98 -1.062 1.811 1.811
745 2HD1 ILE 98 HD12 ILE 98 -2.680 2.402 2.402
746 3HD1 ILE 98 HD13 ILE 98 -1.773 1.356 1.356
747 H THR 99 HN THR 99 -1.763 -3.915 -3.915
748 HA THR 99 HA THR 99 -4.352 -4.028 -4.028
749 HB THR 99 HB THR 99 -4.281 -6.543 -6.543
750 HG1 THR 99 HG1 THR 99 -3.324 -6.372 -6.372
751 1HG2 THR 99 HG23 THR 99 -5.599 -4.051 -4.051
752 2HG2 THR 99 HG21 THR 99 -5.237 -5.042 -5.042
753 3HG2 THR 99 HG22 THR 99 -6.214 -5.719 -5.719
754 H LEU 100 HN LEU 100 -4.455 -5.863 -5.863
755 HA LEU 100 HA LEU 100 -2.246 -5.752 -5.752
756 1HB LEU 100 HB2 LEU 100 -3.482 -6.988 -6.988
757 2HB LEU 100 HB3 LEU 100 -4.748 -6.385 -6.385
758 HG LEU 100 HG LEU 100 -3.492 -9.062 -9.062
759 1HD1 LEU 100 HD12 LEU 100 -5.323 -8.359 -8.359
760 2HD1 LEU 100 HD13 LEU 100 -5.610 -9.880 -9.880
761 3HD1 LEU 100 HD11 LEU 100 -4.038 -9.587 -9.587
762 1HD2 LEU 100 HD21 LEU 100 -5.135 -7.780 -7.780
763 2HD2 LEU 100 HD22 LEU 100 -5.396 -9.513 -9.513
764 3HD2 LEU 100 HD23 LEU 100 -6.374 -8.299 -8.299
765 H CYS 101 HN CYS 101 -3.282 -8.269 -8.269
766 HA CYS 101 HA CYS 101 -1.250 -10.064 -10.064
767 1HB CYS 101 HB2 CYS 101 -3.386 -10.344 -10.344
768 2HB CYS 101 HB3 CYS 101 -2.426 -9.724 -9.724
769 H ASP 102 HN ASP 102 -1.392 -7.052 -7.052
770 HA ASP 102 HA ASP 102 1.036 -7.552 -7.552
771 1HB ASP 102 HB2 ASP 102 -1.022 -5.901 -5.901
772 2HB ASP 102 HB3 ASP 102 -0.071 -4.775 -4.775
773 H PHE 103 HN PHE 103 2.903 -5.810 -5.810
774 HA PHE 103 HA PHE 103 3.766 -5.905 -5.905
775 1HB PHE 103 HB2 PHE 103 5.371 -5.985 -5.985
776 2HB PHE 103 HB3 PHE 103 4.643 -4.601 -4.601
777 HD1 PHE 103 HD2 PHE 103 5.131 -4.362 -4.362
778 HD2 PHE 103 HD1 PHE 103 6.932 -3.663 -3.663
779 HE1 PHE 103 HE2 PHE 103 6.820 -2.853 -2.853
780 HE2 PHE 103 HE1 PHE 103 8.620 -2.155 -2.155
781 HZ PHE 103 HZ PHE 103 8.544 -1.768 -1.768
782 H ILE 104 HN ILE 104 3.121 -4.585 -4.585
783 HA ILE 104 HA ILE 104 3.156 -1.771 -1.771
784 HB ILE 104 HB ILE 104 0.684 -1.587 -1.587
785 1HG1 ILE 104 HG12 ILE 104 0.560 -4.223 -4.223
786 2HG1 ILE 104 HG13 ILE 104 0.363 -4.048 -4.048
787 1HG2 ILE 104 HG23 ILE 104 1.993 -1.134 -1.134
788 2HG2 ILE 104 HG21 ILE 104 0.736 -2.277 -2.277
789 3HG2 ILE 104 HG22 ILE 104 0.275 -0.765 -0.765
790 1HD1 ILE 104 HD13 ILE 104 -1.522 -2.364 -2.364
791 2HD1 ILE 104 HD11 ILE 104 -1.419 -2.922 -2.922
792 3HD1 ILE 104 HD12 ILE 104 -1.857 -4.066 -4.066
793 H VAL 105 HN VAL 105 3.701 -0.862 -0.862
794 HA VAL 105 HA VAL 105 2.887 -2.188 -2.188
795 HB VAL 105 HB VAL 105 5.559 -1.754 -1.754
796 1HG1 VAL 105 HG13 VAL 105 3.928 -4.213 -4.213
797 2HG1 VAL 105 HG11 VAL 105 5.660 -4.342 -4.342
798 3HG1 VAL 105 HG12 VAL 105 4.536 -3.623 -3.623
799 1HG2 VAL 105 HG22 VAL 105 5.264 -2.914 -2.914
800 2HG2 VAL 105 HG23 VAL 105 6.165 -1.457 -1.457
801 3HG2 VAL 105 HG21 VAL 105 6.733 -3.065 -3.065
802 HA PRO 106 HA PRO 106 2.894 1.920 1.920
803 1HB PRO 106 HB2 PRO 106 3.188 1.672 1.672
804 2HB PRO 106 HB3 PRO 106 1.666 1.406 1.406
805 1HG PRO 106 HG2 PRO 106 3.531 -0.586 -0.586
806 2HG PRO 106 HG3 PRO 106 1.846 -0.785 -0.785
807 1HD PRO 106 HD2 PRO 106 4.122 -1.700 -1.700
808 2HD PRO 106 HD3 PRO 106 2.443 -1.796 -1.796
809 H TRP 107 HN TRP 107 5.589 0.376 0.376
810 HA TRP 107 HA TRP 107 7.694 1.063 1.063
811 1HB TRP 107 HB2 TRP 107 6.673 3.275 3.275
812 2HB TRP 107 HB3 TRP 107 6.814 3.734 3.734
813 HD1 TRP 107 HD1 TRP 107 9.390 2.229 2.229
814 HE1 TRP 107 HE1 TRP 107 11.675 3.543 3.543
815 HE3 TRP 107 HE3 TRP 107 7.915 5.497 5.497
816 HZ2 TRP 107 HZ2 TRP 107 12.589 5.752 5.752
817 HZ3 TRP 107 HZ3 TRP 107 9.565 7.200 7.200
818 HH2 TRP 107 HH2 TRP 107 11.832 7.360 7.360
819 H ASP 108 HN ASP 108 6.267 2.610 2.610
820 HA ASP 108 HA ASP 108 8.519 2.046 2.046
821 1HB ASP 108 HB2 ASP 108 6.700 3.783 3.783
822 2HB ASP 108 HB3 ASP 108 5.651 2.474 2.474
823 H THR 109 HN THR 109 8.148 -0.376 -0.376
824 HA THR 109 HA THR 109 7.541 -2.100 -2.100
825 HB THR 109 HB THR 109 5.814 -3.378 -3.378
826 HG1 THR 109 HG1 THR 109 6.009 -2.209 -2.209
827 1HG2 THR 109 HG23 THR 109 5.234 -1.856 -1.856
828 2HG2 THR 109 HG21 THR 109 4.897 -0.590 -0.590
829 3HG2 THR 109 HG22 THR 109 3.952 -2.099 -2.099
830 H LEU 110 HN LEU 110 7.928 -2.010 -2.010
831 HA LEU 110 HA LEU 110 8.870 -3.901 -3.901
832 1HB LEU 110 HB2 LEU 110 11.041 -1.996 -1.996
833 2HB LEU 110 HB3 LEU 110 11.126 -3.080 -3.080
834 HG LEU 110 HG LEU 110 9.107 -0.838 -0.838
835 1HD1 LEU 110 HD11 LEU 110 11.825 -0.922 -0.922
836 2HD1 LEU 110 HD12 LEU 110 10.557 0.198 0.198
837 3HD1 LEU 110 HD13 LEU 110 11.148 0.284 0.284
838 1HD2 LEU 110 HD21 LEU 110 9.115 -3.086 -3.086
839 2HD2 LEU 110 HD22 LEU 110 8.097 -1.631 -1.631
840 3HD2 LEU 110 HD23 LEU 110 9.638 -1.719 -1.719
841 H SER 111 HN SER 111 11.872 -3.462 -3.462
842 HA SER 111 HA SER 111 12.014 -4.840 -4.840
843 1HB SER 111 HB2 SER 111 11.117 -6.781 -6.781
844 2HB SER 111 HB3 SER 111 12.280 -7.354 -7.354
845 HG SER 111 HG SER 111 9.591 -6.988 -6.988
846 H THR 112 HN THR 112 13.028 -5.169 -5.169
847 HA THR 112 HA THR 112 15.499 -4.206 -4.206
848 HB THR 112 HB THR 112 15.360 -6.811 -6.811
849 HG1 THR 112 HG1 THR 112 16.791 -5.547 -5.547
850 1HG2 THR 112 HG21 THR 112 17.452 -6.212 -6.212
851 2HG2 THR 112 HG22 THR 112 17.848 -7.174 -7.174
852 3HG2 THR 112 HG23 THR 112 16.605 -7.747 -7.747
853 H THR 113 HN THR 113 14.465 -7.559 -7.559
854 HA THR 113 HA THR 113 15.638 -7.577 -7.577
855 HB THR 113 HB THR 113 13.242 -8.905 -8.905
856 HG1 THR 113 HG1 THR 113 15.797 -9.607 -9.607
857 1HG2 THR 113 HG22 THR 113 13.817 -8.756 -8.756
858 2HG2 THR 113 HG23 THR 113 13.682 -10.405 -10.405
859 3HG2 THR 113 HG21 THR 113 12.329 -9.263 -9.263
860 H GLN 114 HN GLN 114 12.846 -5.725 -5.725
861 HA GLN 114 HA GLN 114 11.998 -5.277 -5.277
862 1HB GLN 114 HB2 GLN 114 11.043 -4.481 -4.481
863 2HB GLN 114 HB3 GLN 114 10.538 -3.490 -3.490
864 1HG GLN 114 HG2 GLN 114 8.848 -5.037 -5.037
865 2HG GLN 114 HG3 GLN 114 10.044 -5.953 -5.953
866 1HE2 GLN 114 HE22 GLN 114 10.963 -8.028 -8.028
867 2HE2 GLN 114 HE21 GLN 114 11.707 -7.032 -7.032
868 H LYS 115 HN LYS 115 13.923 -3.673 -3.673
869 HA LYS 115 HA LYS 115 13.992 -1.146 -1.146
870 1HB LYS 115 HB2 LYS 115 14.981 -2.368 -2.368
871 2HB LYS 115 HB3 LYS 115 16.250 -1.428 -1.428
872 1HG LYS 115 HG2 LYS 115 15.133 0.582 0.582
873 2HG LYS 115 HG3 LYS 115 13.551 -0.138 -0.138
874 1HD LYS 115 HD2 LYS 115 15.248 -0.089 -0.089
875 2HD LYS 115 HD3 LYS 115 13.599 0.467 0.467
876 1HE LYS 115 HE2 LYS 115 13.059 -2.050 -2.050
877 2HE LYS 115 HE3 LYS 115 14.609 -2.393 -2.393
878 1HZ LYS 115 HZ3 LYS 115 13.713 -0.968 -0.968
879 2HZ LYS 115 HZ1 LYS 115 12.241 -1.215 -1.215
880 3HZ LYS 115 HZ2 LYS 115 13.132 -2.486 -2.486
881 H LYS 116 HN LYS 116 16.067 -4.088 -4.088
882 HA LYS 116 HA LYS 116 18.141 -2.947 -2.947
883 1HB LYS 116 HB2 LYS 116 18.983 -5.141 -5.141
884 2HB LYS 116 HB3 LYS 116 18.188 -5.069 -5.069
885 1HG LYS 116 HG2 LYS 116 17.027 -6.915 -6.915
886 2HG LYS 116 HG3 LYS 116 16.116 -5.860 -5.860
887 1HD LYS 116 HD2 LYS 116 18.763 -6.771 -6.771
888 2HD LYS 116 HD3 LYS 116 17.557 -8.028 -8.028
889 1HE LYS 116 HE2 LYS 116 16.565 -7.350 -7.350
890 2HE LYS 116 HE3 LYS 116 16.190 -5.811 -5.811
891 1HZ LYS 116 HZ2 LYS 116 18.446 -5.096 -5.096
892 2HZ LYS 116 HZ3 LYS 116 18.649 -6.489 -6.489
893 3HZ LYS 116 HZ1 LYS 116 17.495 -5.427 -5.427
894 H SER 117 HN SER 117 14.885 -3.850 -3.850
895 HA SER 117 HA SER 117 15.570 -4.134 -4.134
896 1HB SER 117 HB2 SER 117 13.508 -5.154 -5.154
897 2HB SER 117 HB3 SER 117 12.712 -4.114 -4.114
898 HG SER 117 HG SER 117 13.158 -5.492 -5.492
899 H LEU 118 HN LEU 118 15.032 -1.644 -1.644
900 HA LEU 118 HA LEU 118 13.397 -0.017 -0.017
901 1HB LEU 118 HB2 LEU 118 14.623 0.370 0.370
902 2HB LEU 118 HB3 LEU 118 13.872 1.689 1.689
903 HG LEU 118 HG LEU 118 12.372 -0.872 -0.872
904 1HD1 LEU 118 HD13 LEU 118 13.416 0.682 0.682
905 2HD1 LEU 118 HD11 LEU 118 11.754 1.290 1.290
906 3HD1 LEU 118 HD12 LEU 118 12.041 -0.441 -0.441
907 1HD2 LEU 118 HD21 LEU 118 11.775 1.733 1.733
908 2HD2 LEU 118 HD22 LEU 118 10.889 0.192 0.192
909 3HD2 LEU 118 HD23 LEU 118 10.631 1.275 1.275
910 H ASN 119 HN ASN 119 16.773 -0.710 -0.710
911 HA ASN 119 HA ASN 119 17.539 1.725 1.725
912 1HB ASN 119 HB2 ASN 119 19.794 1.265 1.265
913 2HB ASN 119 HB3 ASN 119 18.713 0.983 0.983
914 1HD2 ASN 119 HD22 ASN 119 19.453 -2.378 -2.378
915 2HD2 ASN 119 HD21 ASN 119 18.600 -0.958 -0.958
916 H HIS 120 HN HIS 120 16.679 -1.487 -1.487
917 HA HIS 120 HA HIS 120 18.639 -1.828 -1.828
918 1HB HIS 120 HB2 HIS 120 18.281 -4.066 -4.066
919 2HB HIS 120 HB3 HIS 120 17.848 -3.618 -3.618
920 HD1 HIS 120 HD1 HIS 120 14.963 -2.392 -2.392
921 HD2 HIS 120 HD2 HIS 120 16.495 -6.284 -6.284
922 HE1 HIS 120 HE1 HIS 120 12.954 -3.925 -3.925
923 H ARG 121 HN ARG 121 16.776 0.338 0.338
924 HA ARG 121 HA ARG 121 15.533 1.224 1.224
925 1HB ARG 121 HB2 ARG 121 16.390 -1.281 -1.281
926 2HB ARG 121 HB3 ARG 121 14.926 -0.572 -0.572
927 1HG ARG 121 HG2 ARG 121 17.591 0.877 0.877
928 2HG ARG 121 HG3 ARG 121 16.941 0.318 0.318
929 1HD ARG 121 HD2 ARG 121 14.883 1.894 1.894
930 2HD ARG 121 HD3 ARG 121 16.376 2.795 2.795
931 HE ARG 121 HE ARG 121 14.976 2.221 2.221
932 1HH1 ARG 121 HH22 ARG 121 18.108 2.979 2.979
933 2HH1 ARG 121 HH21 ARG 121 18.751 3.642 3.642
934 1HH2 ARG 121 HH12 ARG 121 15.825 3.095 3.095
935 2HH2 ARG 121 HH11 ARG 121 17.445 3.708 3.708
936 H TYR 122 HN TYR 122 14.232 -1.976 -1.976
937 HA TYR 122 HA TYR 122 12.162 -2.089 -2.089
938 1HB TYR 122 HB2 TYR 122 10.332 -1.273 -1.273
939 2HB TYR 122 HB3 TYR 122 11.554 -0.017 -0.017
940 HD1 TYR 122 HD1 TYR 122 13.115 0.249 0.249
941 HD2 TYR 122 HD2 TYR 122 9.731 -2.369 -2.369
942 HE1 TYR 122 HE1 TYR 122 13.223 0.200 0.200
943 HE2 TYR 122 HE2 TYR 122 9.852 -2.408 -2.408
944 HH TYR 122 HH TYR 122 11.246 -0.273 -0.273
945 H GLN 123 HN GLN 123 14.226 -3.492 -3.492
946 HA GLN 123 HA GLN 123 13.024 -5.932 -5.932
947 1HB GLN 123 HB2 GLN 123 11.442 -4.844 -4.844
948 2HB GLN 123 HB3 GLN 123 12.794 -4.706 -4.706
949 1HG GLN 123 HG2 GLN 123 12.733 -7.416 -7.416
950 2HG GLN 123 HG3 GLN 123 11.118 -6.997 -6.997
951 1HE2 GLN 123 HE22 GLN 123 13.601 -8.269 -8.269
952 2HE2 GLN 123 HE21 GLN 123 13.455 -8.685 -8.685
953 H MET 124 HN MET 124 15.513 -5.134 -5.134
954 HA MET 124 HA MET 124 17.328 -5.252 -5.252
955 1HB MET 124 HB2 MET 124 17.355 -5.006 -5.006
956 2HB MET 124 HB3 MET 124 18.719 -5.929 -5.929
957 1HG MET 124 HG2 MET 124 18.280 -3.563 -3.563
958 2HG MET 124 HG3 MET 124 18.444 -3.102 -3.102
959 1HE MET 124 HE1 MET 124 19.981 -2.317 -2.317
960 2HE MET 124 HE2 MET 124 21.683 -2.351 -2.351
961 3HE MET 124 HE3 MET 124 21.111 -3.484 -3.484
962 H GLY 125 HN GLY 125 15.875 -7.389 -7.389
963 1HA GLY 125 HA1 GLY 125 15.860 -9.615 -9.615
964 2HA GLY 125 HA2 GLY 125 17.602 -9.512 -9.512
965 H CYS 126 HN CYS 126 15.609 -8.498 -8.498
966 HA CYS 126 HA CYS 126 16.855 -10.335 -10.335
967 1HB CYS 126 HB2 CYS 126 15.792 -9.266 -9.266
968 2HB CYS 126 HB3 CYS 126 15.683 -8.032 -8.032
969 H GLU 127 HN GLU 127 14.717 -11.356 -11.356
970 HA GLU 127 HA GLU 127 12.716 -12.582 -12.582
971 1HB GLU 127 HB2 GLU 127 14.608 -13.800 -13.800
972 2HB GLU 127 HB3 GLU 127 15.111 -14.417 -14.417
973 1HG GLU 127 HG2 GLU 127 13.784 -16.192 -16.192
974 2HG GLU 127 HG3 GLU 127 12.578 -15.250 -15.250
Start of MODEL 22
1 H CYS 1 HN CYS 1 -7.099 -9.925 -9.925
2 HA CYS 1 HA CYS 1 -9.301 -8.763 -8.763
3 1HB CYS 1 HB2 CYS 1 -9.449 -10.560 -10.560
4 2HB CYS 1 HB3 CYS 1 -10.738 -10.522 -10.522
5 H SER 2 HN SER 2 -8.563 -9.579 -9.579
6 HA SER 2 HA SER 2 -8.097 -11.017 -11.017
7 1HB SER 2 HB2 SER 2 -9.204 -13.492 -13.492
8 2HB SER 2 HB3 SER 2 -9.891 -12.365 -12.365
9 HG SER 2 HG SER 2 -11.050 -11.336 -11.336
10 H CYS 3 HN CYS 3 -6.507 -10.973 -10.973
11 HA CYS 3 HA CYS 3 -5.419 -13.523 -13.523
12 1HB CYS 3 HB2 CYS 3 -5.303 -11.206 -11.206
13 2HB CYS 3 HB3 CYS 3 -3.725 -11.170 -11.170
14 H SER 4 HN SER 4 -2.965 -13.964 -13.964
15 HA SER 4 HA SER 4 -2.489 -13.187 -13.187
16 1HB SER 4 HB2 SER 4 -1.112 -15.160 -15.160
17 2HB SER 4 HB3 SER 4 -2.589 -15.633 -15.633
18 HG SER 4 HG SER 4 0.027 -15.213 -15.213
19 HA PRO 5 HA PRO 5 0.652 -10.640 -10.640
20 1HB PRO 5 HB2 PRO 5 1.047 -9.029 -9.029
21 2HB PRO 5 HB3 PRO 5 -0.167 -8.709 -8.709
22 1HG PRO 5 HG2 PRO 5 -0.528 -9.759 -9.759
23 2HG PRO 5 HG3 PRO 5 -1.720 -9.041 -9.041
24 1HD PRO 5 HD2 PRO 5 -1.389 -11.832 -11.832
25 2HD PRO 5 HD3 PRO 5 -2.503 -11.124 -11.124
26 H VAL 6 HN VAL 6 2.608 -11.436 -11.436
27 HA VAL 6 HA VAL 6 4.218 -11.971 -11.971
28 HB VAL 6 HB VAL 6 3.034 -14.074 -14.074
29 1HG1 VAL 6 HG11 VAL 6 3.950 -13.320 -13.320
30 2HG1 VAL 6 HG12 VAL 6 4.581 -14.928 -14.928
31 3HG1 VAL 6 HG13 VAL 6 2.828 -14.617 -14.617
32 1HG2 VAL 6 HG23 VAL 6 5.933 -13.675 -13.675
33 2HG2 VAL 6 HG21 VAL 6 4.839 -14.790 -14.790
34 3HG2 VAL 6 HG22 VAL 6 5.492 -15.233 -15.233
35 H HIS 7 HN HIS 7 5.893 -13.479 -13.479
36 HA HIS 7 HA HIS 7 7.783 -12.850 -12.850
37 1HB HIS 7 HB2 HIS 7 7.150 -11.113 -11.113
38 2HB HIS 7 HB3 HIS 7 6.751 -12.818 -12.818
39 HD1 HIS 7 HD1 HIS 7 4.354 -13.327 -13.327
40 HD2 HIS 7 HD2 HIS 7 4.844 -9.530 -9.530
41 HE1 HIS 7 HE1 HIS 7 2.041 -12.250 -12.250
42 HA PRO 8 HA PRO 8 8.822 -9.194 -9.194
43 1HB PRO 8 HB2 PRO 8 11.347 -9.976 -9.976
44 2HB PRO 8 HB3 PRO 8 9.934 -10.323 -10.323
45 1HG PRO 8 HG2 PRO 8 11.478 -12.147 -12.147
46 2HG PRO 8 HG3 PRO 8 10.356 -12.545 -12.545
47 1HD PRO 8 HD2 PRO 8 9.852 -12.683 -12.683
48 2HD PRO 8 HD3 PRO 8 8.697 -12.969 -12.969
49 H GLN 9 HN GLN 9 10.573 -10.762 -10.762
50 HA GLN 9 HA GLN 9 11.588 -8.116 -8.116
51 1HB GLN 9 HB2 GLN 9 13.463 -9.545 -9.545
52 2HB GLN 9 HB3 GLN 9 12.773 -10.883 -10.883
53 1HG GLN 9 HG2 GLN 9 14.048 -10.164 -10.164
54 2HG GLN 9 HG3 GLN 9 12.856 -8.893 -8.893
55 1HE2 GLN 9 HE22 GLN 9 14.933 -6.731 -6.731
56 2HE2 GLN 9 HE21 GLN 9 13.418 -7.555 -7.555
57 H GLN 10 HN GLN 10 9.932 -11.091 -11.091
58 HA GLN 10 HA GLN 10 9.926 -10.546 -10.546
59 1HB GLN 10 HB2 GLN 10 9.116 -12.653 -12.653
60 2HB GLN 10 HB3 GLN 10 8.645 -12.412 -12.412
61 1HG GLN 10 HG2 GLN 10 6.582 -12.820 -12.820
62 2HG GLN 10 HG3 GLN 10 6.618 -11.074 -11.074
63 1HE2 GLN 10 HE22 GLN 10 5.545 -11.830 -11.830
64 2HE2 GLN 10 HE21 GLN 10 4.980 -12.070 -12.070
65 H ALA 11 HN ALA 11 8.476 -8.839 -8.839
66 HA ALA 11 HA ALA 11 6.149 -7.987 -7.987
67 1HB ALA 11 HB2 ALA 11 7.163 -7.904 -7.904
68 2HB ALA 11 HB3 ALA 11 6.528 -6.322 -6.322
69 3HB ALA 11 HB1 ALA 11 5.491 -7.767 -7.767
70 H PHE 12 HN PHE 12 9.458 -6.869 -6.869
71 HA PHE 12 HA PHE 12 8.917 -4.302 -4.302
72 1HB PHE 12 HB2 PHE 12 11.372 -5.672 -5.672
73 2HB PHE 12 HB3 PHE 12 11.397 -4.019 -4.019
74 HD1 PHE 12 HD1 PHE 12 8.922 -5.923 -5.923
75 HD2 PHE 12 HD2 PHE 12 11.520 -2.579 -2.579
76 HE1 PHE 12 HE1 PHE 12 8.116 -5.120 -5.120
77 HE2 PHE 12 HE2 PHE 12 10.713 -1.775 -1.775
78 HZ PHE 12 HZ PHE 12 9.021 -3.055 -3.055
79 H CYS 13 HN CYS 13 9.358 -7.315 -7.315
80 HA CYS 13 HA CYS 13 11.156 -6.364 -6.364
81 1HB CYS 13 HB2 CYS 13 10.757 -9.041 -9.041
82 2HB CYS 13 HB3 CYS 13 11.161 -8.985 -8.985
83 H ASN 14 HN ASN 14 7.929 -7.047 -7.047
84 HA ASN 14 HA ASN 14 7.184 -7.781 -7.781
85 1HB ASN 14 HB2 ASN 14 6.246 -8.585 -8.585
86 2HB ASN 14 HB3 ASN 14 4.995 -7.499 -7.499
87 1HD2 ASN 14 HD22 ASN 14 5.742 -11.125 -11.125
88 2HD2 ASN 14 HD21 ASN 14 6.839 -10.401 -10.401
89 H ALA 15 HN ALA 15 6.717 -5.348 -5.348
90 HA ALA 15 HA ALA 15 4.740 -3.805 -3.805
91 1HB ALA 15 HB3 ALA 15 7.122 -3.059 -3.059
92 2HB ALA 15 HB1 ALA 15 5.748 -1.979 -1.979
93 3HB ALA 15 HB2 ALA 15 5.488 -3.507 -3.507
94 H ASP 16 HN ASP 16 5.195 -1.412 -1.412
95 HA ASP 16 HA ASP 16 7.523 -1.287 -1.287
96 1HB ASP 16 HB2 ASP 16 4.731 -1.685 -1.685
97 2HB ASP 16 HB3 ASP 16 5.658 -0.447 -0.447
98 H VAL 17 HN VAL 17 5.907 0.042 0.042
99 HA VAL 17 HA VAL 17 6.534 2.714 2.714
100 HB VAL 17 HB VAL 17 4.496 2.628 2.628
101 1HG1 VAL 17 HG11 VAL 17 3.412 1.264 1.264
102 2HG1 VAL 17 HG12 VAL 17 2.315 2.204 2.204
103 3HG1 VAL 17 HG13 VAL 17 3.229 0.836 0.836
104 1HG2 VAL 17 HG23 VAL 17 5.019 4.631 4.631
105 2HG2 VAL 17 HG21 VAL 17 3.331 4.466 4.466
106 3HG2 VAL 17 HG22 VAL 17 3.783 4.002 4.002
107 H VAL 18 HN VAL 18 7.842 2.319 2.319
108 HA VAL 18 HA VAL 18 6.334 1.918 1.918
109 HB VAL 18 HB VAL 18 9.294 2.164 2.164
110 1HG1 VAL 18 HG11 VAL 18 7.189 0.966 0.966
111 2HG1 VAL 18 HG12 VAL 18 8.531 -0.160 -0.160
112 3HG1 VAL 18 HG13 VAL 18 8.854 1.423 1.423
113 1HG2 VAL 18 HG22 VAL 18 8.004 0.521 0.521
114 2HG2 VAL 18 HG23 VAL 18 9.727 0.540 0.540
115 3HG2 VAL 18 HG21 VAL 18 8.604 -0.560 -0.560
116 H ILE 19 HN ILE 19 5.654 3.668 3.668
117 HA ILE 19 HA ILE 19 7.416 5.983 5.983
118 HB ILE 19 HB ILE 19 5.709 7.534 7.534
119 1HG1 ILE 19 HG12 ILE 19 3.903 5.169 5.169
120 2HG1 ILE 19 HG13 ILE 19 3.676 6.812 6.812
121 1HG2 ILE 19 HG21 ILE 19 7.023 6.420 6.420
122 2HG2 ILE 19 HG22 ILE 19 5.622 5.357 5.357
123 3HG2 ILE 19 HG23 ILE 19 5.465 7.114 7.114
124 1HD1 ILE 19 HD12 ILE 19 3.591 7.475 7.475
125 2HD1 ILE 19 HD13 ILE 19 3.369 5.734 5.734
126 3HD1 ILE 19 HD11 ILE 19 2.183 6.626 6.626
127 H ARG 20 HN ARG 20 7.635 6.702 6.702
128 HA ARG 20 HA ARG 20 6.104 5.379 5.379
129 1HB ARG 20 HB2 ARG 20 7.971 7.725 7.725
130 2HB ARG 20 HB3 ARG 20 7.628 6.365 6.365
131 1HG ARG 20 HG2 ARG 20 8.664 4.902 4.902
132 2HG ARG 20 HG3 ARG 20 9.330 6.414 6.414
133 1HD ARG 20 HD2 ARG 20 9.930 4.948 4.948
134 2HD ARG 20 HD3 ARG 20 11.051 5.619 5.619
135 HE ARG 20 HE ARG 20 9.347 7.581 7.581
136 1HH1 ARG 20 HH22 ARG 20 12.465 5.962 5.962
137 2HH1 ARG 20 HH21 ARG 20 13.287 7.155 7.155
138 1HH2 ARG 20 HH12 ARG 20 10.431 9.154 9.154
139 2HH2 ARG 20 HH11 ARG 20 12.121 8.982 8.982
140 H THR 21 HN THR 21 4.401 6.922 6.922
141 HA THR 21 HA THR 21 3.911 9.516 9.516
142 HB THR 21 HB THR 21 3.082 8.708 8.708
143 HG1 THR 21 HG1 THR 21 1.259 9.892 9.892
144 1HG2 THR 21 HG21 THR 21 2.652 6.277 6.277
145 2HG2 THR 21 HG22 THR 21 1.065 6.951 6.951
146 3HG2 THR 21 HG23 THR 21 1.570 6.904 6.904
147 H LYS 22 HN LYS 22 1.562 10.038 10.038
148 HA LYS 22 HA LYS 22 1.159 8.272 8.272
149 1HB LYS 22 HB2 LYS 22 0.946 10.182 10.182
150 2HB LYS 22 HB3 LYS 22 2.515 10.211 10.211
151 1HG LYS 22 HG2 LYS 22 1.795 11.921 11.921
152 2HG LYS 22 HG3 LYS 22 0.122 11.758 11.758
153 1HD LYS 22 HD2 LYS 22 2.431 12.952 12.952
154 2HD LYS 22 HD3 LYS 22 0.928 13.724 13.724
155 1HE LYS 22 HE2 LYS 22 -0.239 11.897 11.897
156 2HE LYS 22 HE3 LYS 22 1.356 11.593 11.593
157 1HZ LYS 22 HZ3 LYS 22 0.007 14.204 14.204
158 2HZ LYS 22 HZ1 LYS 22 0.160 13.221 13.221
159 3HZ LYS 22 HZ2 LYS 22 1.484 13.907 13.907
160 H ALA 23 HN ALA 23 -0.877 7.499 7.499
161 HA ALA 23 HA ALA 23 -2.862 8.898 8.898
162 1HB ALA 23 HB1 ALA 23 -2.786 6.144 6.144
163 2HB ALA 23 HB2 ALA 23 -4.148 6.774 6.774
164 3HB ALA 23 HB3 ALA 23 -2.563 6.523 6.523
165 H VAL 24 HN VAL 24 -3.931 10.501 10.501
166 HA VAL 24 HA VAL 24 -4.643 9.969 9.969
167 HB VAL 24 HB VAL 24 -4.920 12.536 12.536
168 1HG1 VAL 24 HG12 VAL 24 -2.364 10.961 10.961
169 2HG1 VAL 24 HG13 VAL 24 -2.301 12.733 12.733
170 3HG1 VAL 24 HG11 VAL 24 -3.238 11.771 11.771
171 1HG2 VAL 24 HG22 VAL 24 -4.694 12.684 12.684
172 2HG2 VAL 24 HG23 VAL 24 -3.642 13.784 13.784
173 3HG2 VAL 24 HG21 VAL 24 -2.968 12.301 12.301
174 H SER 25 HN SER 25 -5.740 11.052 11.052
175 HA SER 25 HA SER 25 -8.460 10.920 10.920
176 1HB SER 25 HB2 SER 25 -8.234 13.094 13.094
177 2HB SER 25 HB3 SER 25 -7.159 12.591 12.591
178 HG SER 25 HG SER 25 -9.053 11.465 11.465
179 H GLU 26 HN GLU 26 -10.115 10.143 10.143
180 HA GLU 26 HA GLU 26 -8.939 8.385 8.385
181 1HB GLU 26 HB2 GLU 26 -10.514 7.428 7.428
182 2HB GLU 26 HB3 GLU 26 -10.605 6.538 6.538
183 1HG GLU 26 HG2 GLU 26 -8.705 5.480 5.480
184 2HG GLU 26 HG3 GLU 26 -7.863 6.961 6.961
185 H LYS 27 HN LYS 27 -11.203 7.007 7.007
186 HA LYS 27 HA LYS 27 -13.406 8.853 8.853
187 1HB LYS 27 HB2 LYS 27 -11.847 9.739 9.739
188 2HB LYS 27 HB3 LYS 27 -11.816 8.176 8.176
189 1HG LYS 27 HG2 LYS 27 -13.944 8.413 8.413
190 2HG LYS 27 HG3 LYS 27 -14.544 9.284 9.284
191 1HD LYS 27 HD2 LYS 27 -14.350 10.667 10.667
192 2HD LYS 27 HD3 LYS 27 -13.568 11.359 11.359
193 1HE LYS 27 HE2 LYS 27 -11.369 10.562 10.562
194 2HE LYS 27 HE3 LYS 27 -12.095 9.659 9.659
195 1HZ LYS 27 HZ1 LYS 27 -12.402 12.564 12.564
196 2HZ LYS 27 HZ2 LYS 27 -11.177 11.879 11.879
197 3HZ LYS 27 HZ3 LYS 27 -12.723 11.640 11.640
198 H GLU 28 HN GLU 28 -15.172 7.606 7.606
199 HA GLU 28 HA GLU 28 -14.907 4.798 4.798
200 1HB GLU 28 HB2 GLU 28 -16.167 5.692 5.692
201 2HB GLU 28 HB3 GLU 28 -17.275 6.525 6.525
202 1HG GLU 28 HG2 GLU 28 -17.489 3.977 3.977
203 2HG GLU 28 HG3 GLU 28 -17.115 3.615 3.615
204 H VAL 29 HN VAL 29 -14.681 4.354 4.354
205 HA VAL 29 HA VAL 29 -16.870 5.314 5.314
206 HB VAL 29 HB VAL 29 -15.348 4.819 4.819
207 1HG1 VAL 29 HG12 VAL 29 -15.400 7.034 7.034
208 2HG1 VAL 29 HG13 VAL 29 -13.750 6.539 6.539
209 3HG1 VAL 29 HG11 VAL 29 -14.171 6.799 6.799
210 1HG2 VAL 29 HG23 VAL 29 -13.931 3.330 3.330
211 2HG2 VAL 29 HG21 VAL 29 -13.550 3.524 3.524
212 3HG2 VAL 29 HG22 VAL 29 -12.858 4.646 4.646
213 H ASP 30 HN ASP 30 -18.460 3.774 3.774
214 HA ASP 30 HA ASP 30 -18.090 1.150 1.150
215 1HB ASP 30 HB2 ASP 30 -20.388 2.120 2.120
216 2HB ASP 30 HB3 ASP 30 -20.415 0.861 0.861
217 H SER 31 HN SER 31 -17.761 -0.718 -0.718
218 HA SER 31 HA SER 31 -17.478 -0.156 -0.156
219 1HB SER 31 HB2 SER 31 -15.294 -0.660 -0.660
220 2HB SER 31 HB3 SER 31 -15.834 -1.822 -1.822
221 HG SER 31 HG SER 31 -16.459 -3.248 -3.248
222 H GLY 32 HN GLY 32 -19.986 -0.863 -0.863
223 1HA GLY 32 HA1 GLY 32 -21.660 -2.369 -2.369
224 2HA GLY 32 HA2 GLY 32 -20.973 -2.815 -2.815
225 H ASN 33 HN ASN 33 -21.982 -4.976 -4.976
226 HA ASN 33 HA ASN 33 -20.486 -6.304 -6.304
227 1HB ASN 33 HB2 ASN 33 -22.393 -7.670 -7.670
228 2HB ASN 33 HB3 ASN 33 -22.066 -8.088 -8.088
229 1HD2 ASN 33 HD22 ASN 33 -25.362 -6.217 -6.217
230 2HD2 ASN 33 HD21 ASN 33 -24.564 -7.472 -7.472
231 H ASP 34 HN ASP 34 -19.553 -8.597 -8.597
232 HA ASP 34 HA ASP 34 -18.021 -8.277 -8.277
233 1HB ASP 34 HB2 ASP 34 -17.177 -8.930 -8.930
234 2HB ASP 34 HB3 ASP 34 -17.642 -10.545 -10.545
235 H ILE 35 HN ILE 35 -17.388 -11.141 -11.141
236 HA ILE 35 HA ILE 35 -19.764 -11.956 -11.956
237 HB ILE 35 HB ILE 35 -17.054 -13.253 -13.253
238 1HG1 ILE 35 HG12 ILE 35 -16.823 -12.460 -12.460
239 2HG1 ILE 35 HG13 ILE 35 -18.223 -11.445 -11.445
240 1HG2 ILE 35 HG23 ILE 35 -19.478 -14.003 -14.003
241 2HG2 ILE 35 HG21 ILE 35 -17.834 -14.482 -14.482
242 3HG2 ILE 35 HG22 ILE 35 -18.491 -15.016 -15.016
243 1HD1 ILE 35 HD13 ILE 35 -15.943 -11.347 -11.347
244 2HD1 ILE 35 HD11 ILE 35 -15.781 -10.498 -10.498
245 3HD1 ILE 35 HD12 ILE 35 -17.105 -10.074 -10.074
246 H TYR 36 HN TYR 36 -18.986 -11.963 -11.963
247 HA TYR 36 HA TYR 36 -20.089 -14.643 -14.643
248 1HB TYR 36 HB2 TYR 36 -17.843 -13.416 -13.416
249 2HB TYR 36 HB3 TYR 36 -18.996 -12.731 -12.731
250 HD1 TYR 36 HD1 TYR 36 -18.769 -16.173 -16.173
251 HD2 TYR 36 HD2 TYR 36 -18.654 -13.764 -13.764
252 HE1 TYR 36 HE1 TYR 36 -18.624 -18.269 -18.269
253 HE2 TYR 36 HE2 TYR 36 -18.510 -15.868 -15.868
254 HH TYR 36 HH TYR 36 -17.900 -18.944 -18.944
255 H GLY 37 HN GLY 37 -21.090 -11.459 -11.459
256 1HA GLY 37 HA1 GLY 37 -23.222 -10.684 -10.684
257 2HA GLY 37 HA2 GLY 37 -23.539 -11.997 -11.997
258 H ASN 38 HN ASN 38 -20.568 -10.984 -10.984
259 HA ASN 38 HA ASN 38 -21.744 -9.485 -9.485
260 1HB ASN 38 HB2 ASN 38 -19.288 -9.462 -9.462
261 2HB ASN 38 HB3 ASN 38 -20.037 -11.040 -11.040
262 1HD2 ASN 38 HD22 ASN 38 -16.702 -11.337 -11.337
263 2HD2 ASN 38 HD21 ASN 38 -17.419 -11.042 -11.042
264 HA PRO 39 HA PRO 39 -20.456 -5.594 -5.594
265 1HB PRO 39 HB2 PRO 39 -20.134 -4.123 -4.123
266 2HB PRO 39 HB3 PRO 39 -21.699 -4.446 -4.446
267 1HG PRO 39 HG2 PRO 39 -20.480 -5.651 -5.651
268 2HG PRO 39 HG3 PRO 39 -22.163 -5.634 -5.634
269 1HD PRO 39 HD2 PRO 39 -20.340 -7.839 -7.839
270 2HD PRO 39 HD3 PRO 39 -21.988 -7.784 -7.784
271 H ILE 40 HN ILE 40 -18.693 -4.807 -4.807
272 HA ILE 40 HA ILE 40 -16.206 -5.836 -5.836
273 HB ILE 40 HB ILE 40 -17.022 -3.905 -3.905
274 1HG1 ILE 40 HG12 ILE 40 -15.916 -6.725 -6.725
275 2HG1 ILE 40 HG13 ILE 40 -17.617 -6.317 -6.317
276 1HG2 ILE 40 HG22 ILE 40 -14.798 -3.262 -3.262
277 2HG2 ILE 40 HG23 ILE 40 -14.230 -4.932 -4.932
278 3HG2 ILE 40 HG21 ILE 40 -14.730 -3.956 -3.956
279 1HD1 ILE 40 HD13 ILE 40 -15.486 -5.199 -5.199
280 2HD1 ILE 40 HD11 ILE 40 -16.530 -6.591 -6.591
281 3HD1 ILE 40 HD12 ILE 40 -17.246 -4.978 -4.978
282 H LYS 41 HN LYS 41 -16.875 -2.363 -2.363
283 HA LYS 41 HA LYS 41 -16.481 -0.520 -0.520
284 1HB LYS 41 HB2 LYS 41 -17.077 -2.449 -2.449
285 2HB LYS 41 HB3 LYS 41 -15.880 -1.300 -1.300
286 1HG LYS 41 HG2 LYS 41 -18.296 -0.275 -0.275
287 2HG LYS 41 HG3 LYS 41 -18.479 -0.742 -0.742
288 1HD LYS 41 HD2 LYS 41 -17.942 1.699 1.699
289 2HD LYS 41 HD3 LYS 41 -16.781 0.857 0.857
290 1HE LYS 41 HE2 LYS 41 -15.206 0.665 0.665
291 2HE LYS 41 HE3 LYS 41 -16.384 1.350 1.350
292 1HZ LYS 41 HZ3 LYS 41 -15.855 2.958 2.958
293 2HZ LYS 41 HZ1 LYS 41 -14.567 2.763 2.763
294 3HZ LYS 41 HZ2 LYS 41 -15.955 3.390 3.390
295 H ARG 42 HN ARG 42 -14.648 0.590 0.590
296 HA ARG 42 HA ARG 42 -12.194 -0.592 -0.592
297 1HB ARG 42 HB2 ARG 42 -11.364 0.628 0.628
298 2HB ARG 42 HB3 ARG 42 -11.607 -1.095 -1.095
299 1HG ARG 42 HG2 ARG 42 -13.998 -0.832 -0.832
300 2HG ARG 42 HG3 ARG 42 -13.731 0.884 0.884
301 1HD ARG 42 HD2 ARG 42 -11.698 0.016 0.016
302 2HD ARG 42 HD3 ARG 42 -12.675 -1.437 -1.437
303 HE ARG 42 HE ARG 42 -14.185 1.030 1.030
304 1HH1 ARG 42 HH22 ARG 42 -12.246 -1.533 -1.533
305 2HH1 ARG 42 HH21 ARG 42 -12.898 -1.312 -1.312
306 1HH2 ARG 42 HH12 ARG 42 -15.046 1.322 1.322
307 2HH2 ARG 42 HH11 ARG 42 -14.500 0.323 0.323
308 H ILE 43 HN ILE 43 -12.456 1.065 1.065
309 HA ILE 43 HA ILE 43 -12.844 3.749 3.749
310 HB ILE 43 HB ILE 43 -12.297 2.066 2.066
311 1HG1 ILE 43 HG12 ILE 43 -12.657 4.504 4.504
312 2HG1 ILE 43 HG13 ILE 43 -13.242 4.836 4.836
313 1HG2 ILE 43 HG21 ILE 43 -9.876 2.823 2.823
314 2HG2 ILE 43 HG22 ILE 43 -10.415 4.412 4.412
315 3HG2 ILE 43 HG23 ILE 43 -10.544 2.980 2.980
316 1HD1 ILE 43 HD11 ILE 43 -14.444 2.420 2.420
317 2HD1 ILE 43 HD12 ILE 43 -14.363 3.023 3.023
318 3HD1 ILE 43 HD13 ILE 43 -15.201 3.975 3.975
319 H GLN 44 HN GLN 44 -11.353 5.574 5.574
320 HA GLN 44 HA GLN 44 -9.070 4.891 4.891
321 1HB GLN 44 HB2 GLN 44 -10.406 7.535 7.535
322 2HB GLN 44 HB3 GLN 44 -8.933 7.444 7.444
323 1HG GLN 44 HG2 GLN 44 -11.712 6.495 6.495
324 2HG GLN 44 HG3 GLN 44 -10.609 7.481 7.481
325 1HE2 GLN 44 HE22 GLN 44 -10.408 3.363 3.363
326 2HE2 GLN 44 HE21 GLN 44 -11.330 4.255 4.255
327 H TYR 45 HN TYR 45 -7.121 6.666 6.666
328 HA TYR 45 HA TYR 45 -6.631 6.659 6.659
329 1HB TYR 45 HB2 TYR 45 -5.209 5.339 5.339
330 2HB TYR 45 HB3 TYR 45 -4.159 6.136 6.136
331 HD1 TYR 45 HD2 TYR 45 -6.072 5.516 5.516
332 HD2 TYR 45 HD1 TYR 45 -4.351 3.122 3.122
333 HE1 TYR 45 HE2 TYR 45 -6.186 3.472 3.472
334 HE2 TYR 45 HE1 TYR 45 -4.470 1.085 1.085
335 HH TYR 45 HH TYR 45 -4.624 1.116 1.116
336 H GLU 46 HN GLU 46 -7.407 8.978 8.978
337 HA GLU 46 HA GLU 46 -5.759 10.554 10.554
338 1HB GLU 46 HB2 GLU 46 -8.176 10.934 10.934
339 2HB GLU 46 HB3 GLU 46 -7.266 11.718 11.718
340 1HG GLU 46 HG2 GLU 46 -6.238 13.270 13.270
341 2HG GLU 46 HG3 GLU 46 -6.941 12.409 12.409
342 H ILE 47 HN ILE 47 -3.622 9.650 9.650
343 HA ILE 47 HA ILE 47 -2.776 10.291 10.291
344 HB ILE 47 HB ILE 47 -0.557 9.680 9.680
345 1HG1 ILE 47 HG12 ILE 47 -1.930 9.857 9.857
346 2HG1 ILE 47 HG13 ILE 47 -0.380 10.507 10.507
347 1HG2 ILE 47 HG21 ILE 47 -2.850 8.058 8.058
348 2HG2 ILE 47 HG22 ILE 47 -1.953 7.476 7.476
349 3HG2 ILE 47 HG23 ILE 47 -1.144 7.574 7.574
350 1HD1 ILE 47 HD11 ILE 47 -0.181 7.696 7.696
351 2HD1 ILE 47 HD12 ILE 47 -0.975 7.922 7.922
352 3HD1 ILE 47 HD13 ILE 47 0.611 8.669 8.669
353 H LYS 48 HN LYS 48 -0.390 11.593 11.593
354 HA LYS 48 HA LYS 48 -1.076 14.178 14.178
355 1HB LYS 48 HB2 LYS 48 -1.345 13.891 13.891
356 2HB LYS 48 HB3 LYS 48 0.405 13.964 13.964
357 1HG LYS 48 HG2 LYS 48 -0.281 16.078 16.078
358 2HG LYS 48 HG3 LYS 48 -1.555 16.118 16.118
359 1HD LYS 48 HD2 LYS 48 0.500 17.506 17.506
360 2HD LYS 48 HD3 LYS 48 0.020 16.356 16.356
361 1HE LYS 48 HE2 LYS 48 1.979 15.204 15.204
362 2HE LYS 48 HE3 LYS 48 1.861 15.117 15.117
363 1HZ LYS 48 HZ1 LYS 48 2.511 17.594 17.594
364 2HZ LYS 48 HZ2 LYS 48 3.100 17.173 17.173
365 3HZ LYS 48 HZ3 LYS 48 3.663 16.443 16.443
366 H GLN 49 HN GLN 49 0.897 11.520 11.520
367 HA GLN 49 HA GLN 49 2.872 11.102 11.102
368 1HB GLN 49 HB2 GLN 49 2.756 11.996 11.996
369 2HB GLN 49 HB3 GLN 49 1.914 13.418 13.418
370 1HG GLN 49 HG2 GLN 49 4.017 14.149 14.149
371 2HG GLN 49 HG3 GLN 49 4.124 14.376 14.376
372 1HE2 GLN 49 HE22 GLN 49 6.028 11.059 11.059
373 2HE2 GLN 49 HE21 GLN 49 4.458 11.561 11.561
374 H ILE 50 HN ILE 50 4.832 10.998 10.998
375 HA ILE 50 HA ILE 50 5.867 13.479 13.479
376 HB ILE 50 HB ILE 50 5.693 12.800 12.800
377 1HG1 ILE 50 HG12 ILE 50 7.000 10.292 10.292
378 2HG1 ILE 50 HG13 ILE 50 7.644 11.524 11.524
379 1HG2 ILE 50 HG21 ILE 50 3.539 11.865 11.865
380 2HG2 ILE 50 HG22 ILE 50 4.268 10.273 10.273
381 3HG2 ILE 50 HG23 ILE 50 3.941 11.394 11.394
382 1HD1 ILE 50 HD12 ILE 50 5.380 9.606 9.606
383 2HD1 ILE 50 HD13 ILE 50 7.075 9.436 9.436
384 3HD1 ILE 50 HD11 ILE 50 6.108 10.817 10.817
385 H LYS 51 HN LYS 51 6.313 10.214 10.214
386 HA LYS 51 HA LYS 51 8.959 11.011 11.011
387 1HB LYS 51 HB2 LYS 51 8.663 9.467 9.467
388 2HB LYS 51 HB3 LYS 51 9.146 8.337 8.337
389 1HG LYS 51 HG2 LYS 51 10.809 10.498 10.498
390 2HG LYS 51 HG3 LYS 51 10.674 10.579 10.579
391 1HD LYS 51 HD2 LYS 51 11.734 8.530 8.530
392 2HD LYS 51 HD3 LYS 51 11.152 7.859 7.859
393 1HE LYS 51 HE2 LYS 51 12.810 9.014 9.014
394 2HE LYS 51 HE3 LYS 51 13.166 10.138 10.138
395 1HZ LYS 51 HZ1 LYS 51 13.591 7.551 7.551
396 2HZ LYS 51 HZ2 LYS 51 14.365 7.703 7.703
397 3HZ LYS 51 HZ3 LYS 51 14.688 8.742 8.742
398 H MET 52 HN MET 52 9.877 9.241 9.241
399 HA MET 52 HA MET 52 7.775 7.643 7.643
400 1HB MET 52 HB2 MET 52 8.561 10.194 10.194
401 2HB MET 52 HB3 MET 52 9.271 8.993 8.993
402 1HG MET 52 HG2 MET 52 7.144 8.036 8.036
403 2HG MET 52 HG3 MET 52 6.358 8.768 8.768
404 1HE MET 52 HE1 MET 52 8.901 10.017 10.017
405 2HE MET 52 HE2 MET 52 8.211 11.551 11.551
406 3HE MET 52 HE3 MET 52 8.781 11.413 11.413
407 H PHE 53 HN PHE 53 9.386 6.139 6.139
408 HA PHE 53 HA PHE 53 11.956 5.752 5.752
409 1HB PHE 53 HB2 PHE 53 9.519 4.047 4.047
410 2HB PHE 53 HB3 PHE 53 10.878 3.172 3.172
411 HD1 PHE 53 HD2 PHE 53 13.188 4.294 4.294
412 HD2 PHE 53 HD1 PHE 53 9.335 3.460 3.460
413 HE1 PHE 53 HE2 PHE 53 14.175 4.044 4.044
414 HE2 PHE 53 HE1 PHE 53 10.322 3.211 3.211
415 HZ PHE 53 HZ PHE 53 12.731 3.507 3.507
416 H LYS 54 HN LYS 54 9.659 3.715 3.715
417 HA LYS 54 HA LYS 54 11.276 4.342 4.342
418 1HB LYS 54 HB2 LYS 54 11.784 2.087 2.087
419 2HB LYS 54 HB3 LYS 54 10.206 1.578 1.578
420 1HG LYS 54 HG2 LYS 54 11.748 0.905 0.905
421 2HG LYS 54 HG3 LYS 54 10.915 2.306 2.306
422 1HD LYS 54 HD2 LYS 54 13.023 3.532 3.532
423 2HD LYS 54 HD3 LYS 54 13.769 2.011 2.011
424 1HE LYS 54 HE2 LYS 54 14.119 3.598 3.598
425 2HE LYS 54 HE3 LYS 54 13.012 2.358 2.358
426 1HZ LYS 54 HZ3 LYS 54 11.677 4.535 4.535
427 2HZ LYS 54 HZ1 LYS 54 12.552 5.006 5.006
428 3HZ LYS 54 HZ2 LYS 54 11.411 3.848 3.848
429 H GLY 55 HN GLY 55 9.358 5.976 5.976
430 1HA GLY 55 HA1 GLY 55 7.041 4.681 4.681
431 2HA GLY 55 HA2 GLY 55 6.922 6.084 6.084
432 HA PRO 56 HA PRO 56 7.342 7.726 7.726
433 1HB PRO 56 HB2 PRO 56 5.257 9.490 9.490
434 2HB PRO 56 HB3 PRO 56 5.104 7.863 7.863
435 1HG PRO 56 HG2 PRO 56 4.178 8.938 8.938
436 2HG PRO 56 HG3 PRO 56 3.677 7.474 7.474
437 1HD PRO 56 HD2 PRO 56 5.450 7.660 7.660
438 2HD PRO 56 HD3 PRO 56 5.042 6.210 6.210
439 H GLU 57 HN GLU 57 7.411 10.160 10.160
440 HA GLU 57 HA GLU 57 9.313 11.277 11.277
441 1HB GLU 57 HB2 GLU 57 8.344 12.776 12.776
442 2HB GLU 57 HB3 GLU 57 9.970 12.625 12.625
443 1HG GLU 57 HG2 GLU 57 9.774 10.093 10.093
444 2HG GLU 57 HG3 GLU 57 8.392 10.586 10.586
445 H LYS 58 HN LYS 58 5.934 11.832 11.832
446 HA LYS 58 HA LYS 58 5.814 14.379 14.379
447 1HB LYS 58 HB2 LYS 58 4.501 13.438 13.438
448 2HB LYS 58 HB3 LYS 58 3.378 12.887 12.887
449 1HG LYS 58 HG2 LYS 58 2.504 14.985 14.985
450 2HG LYS 58 HG3 LYS 58 3.944 15.496 15.496
451 1HD LYS 58 HD2 LYS 58 3.670 15.411 15.411
452 2HD LYS 58 HD3 LYS 58 3.509 16.857 16.857
453 1HE LYS 58 HE2 LYS 58 5.912 16.138 16.138
454 2HE LYS 58 HE3 LYS 58 5.992 15.224 15.224
455 1HZ LYS 58 HZ1 LYS 58 5.043 17.688 17.688
456 2HZ LYS 58 HZ2 LYS 58 6.236 17.994 17.994
457 3HZ LYS 58 HZ3 LYS 58 6.547 17.109 17.109
458 H ASP 59 HN ASP 59 3.582 11.568 11.568
459 HA ASP 59 HA ASP 59 4.179 10.593 10.593
460 1HB ASP 59 HB2 ASP 59 4.411 12.627 12.627
461 2HB ASP 59 HB3 ASP 59 3.033 13.366 13.366
462 H ILE 60 HN ILE 60 2.042 9.955 9.955
463 HA ILE 60 HA ILE 60 -0.058 9.539 9.539
464 HB ILE 60 HB ILE 60 0.075 8.136 8.136
465 1HG1 ILE 60 HG12 ILE 60 2.382 8.114 8.114
466 2HG1 ILE 60 HG13 ILE 60 1.656 6.539 6.539
467 1HG2 ILE 60 HG22 ILE 60 -1.661 8.012 8.012
468 2HG2 ILE 60 HG23 ILE 60 -0.547 6.672 6.672
469 3HG2 ILE 60 HG21 ILE 60 -1.403 6.722 6.722
470 1HD1 ILE 60 HD12 ILE 60 1.130 7.796 7.796
471 2HD1 ILE 60 HD13 ILE 60 2.804 7.277 7.277
472 3HD1 ILE 60 HD11 ILE 60 1.473 6.098 6.098
473 H GLU 61 HN GLU 61 -0.011 9.877 9.877
474 HA GLU 61 HA GLU 61 -1.110 11.205 11.205
475 1HB GLU 61 HB2 GLU 61 -1.032 12.787 12.787
476 2HB GLU 61 HB3 GLU 61 -2.582 13.027 13.027
477 1HG GLU 61 HG2 GLU 61 -0.848 13.122 13.122
478 2HG GLU 61 HG3 GLU 61 0.137 13.830 13.830
479 H PHE 62 HN PHE 62 -2.455 9.309 9.309
480 HA PHE 62 HA PHE 62 -4.937 9.122 9.122
481 1HB PHE 62 HB2 PHE 62 -4.540 10.383 10.383
482 2HB PHE 62 HB3 PHE 62 -5.530 8.950 8.950
483 HD1 PHE 62 HD1 PHE 62 -7.681 8.759 8.759
484 HD2 PHE 62 HD2 PHE 62 -5.427 12.353 12.353
485 HE1 PHE 62 HE1 PHE 62 -9.699 10.045 10.045
486 HE2 PHE 62 HE2 PHE 62 -7.444 13.639 13.639
487 HZ PHE 62 HZ PHE 62 -9.556 12.469 12.469
488 H ILE 63 HN ILE 63 -4.441 7.026 7.026
489 HA ILE 63 HA ILE 63 -3.873 5.100 5.100
490 HB ILE 63 HB ILE 63 -3.543 4.456 4.456
491 1HG1 ILE 63 HG12 ILE 63 -2.436 6.794 6.794
492 2HG1 ILE 63 HG13 ILE 63 -1.847 5.847 5.847
493 1HG2 ILE 63 HG23 ILE 63 -2.301 3.618 3.618
494 2HG2 ILE 63 HG21 ILE 63 -1.498 3.290 3.290
495 3HG2 ILE 63 HG22 ILE 63 -3.119 2.628 2.628
496 1HD1 ILE 63 HD12 ILE 63 -0.971 5.289 5.289
497 2HD1 ILE 63 HD13 ILE 63 -0.118 6.438 6.438
498 3HD1 ILE 63 HD11 ILE 63 -0.214 4.718 4.718
499 H TYR 64 HN TYR 64 -4.828 2.816 2.816
500 HA TYR 64 HA TYR 64 -7.580 3.228 3.228
501 1HB TYR 64 HB2 TYR 64 -6.328 1.627 1.627
502 2HB TYR 64 HB3 TYR 64 -7.966 1.314 1.314
503 HD1 TYR 64 HD1 TYR 64 -5.912 4.341 4.341
504 HD2 TYR 64 HD2 TYR 64 -9.624 2.256 2.256
505 HE1 TYR 64 HE1 TYR 64 -6.774 6.174 6.174
506 HE2 TYR 64 HE2 TYR 64 -10.474 4.096 4.096
507 HH TYR 64 HH TYR 64 -8.370 6.519 6.519
508 H THR 65 HN THR 65 -8.632 1.263 1.263
509 HA THR 65 HA THR 65 -7.232 -1.107 -1.107
510 HB THR 65 HB THR 65 -5.790 0.422 0.422
511 HG1 THR 65 HG1 THR 65 -6.358 -0.914 -0.914
512 1HG2 THR 65 HG23 THR 65 -8.491 1.108 1.108
513 2HG2 THR 65 HG21 THR 65 -7.173 0.869 0.869
514 3HG2 THR 65 HG22 THR 65 -7.021 2.107 2.107
515 H ALA 66 HN ALA 66 -8.345 -1.736 -1.736
516 HA ALA 66 HA ALA 66 -11.182 -1.684 -1.684
517 1HB ALA 66 HB3 ALA 66 -9.364 -3.798 -3.798
518 2HB ALA 66 HB1 ALA 66 -10.613 -3.692 -3.692
519 3HB ALA 66 HB2 ALA 66 -11.086 -3.911 -3.911
520 HA PRO 67 HA PRO 67 -11.949 0.483 0.483
521 1HB PRO 67 HB2 PRO 67 -14.608 -0.036 -0.036
522 2HB PRO 67 HB3 PRO 67 -14.011 1.174 1.174
523 1HG PRO 67 HG2 PRO 67 -15.114 -1.505 -1.505
524 2HG PRO 67 HG3 PRO 67 -14.914 -0.139 -0.139
525 1HD PRO 67 HD2 PRO 67 -13.266 -2.483 -2.483
526 2HD PRO 67 HD3 PRO 67 -13.000 -1.068 -1.068
527 H SER 68 HN SER 68 -13.695 0.001 0.001
528 HA SER 68 HA SER 68 -13.770 -1.044 -1.044
529 1HB SER 68 HB2 SER 68 -13.564 -3.282 -3.282
530 2HB SER 68 HB3 SER 68 -13.150 -3.714 -3.714
531 HG SER 68 HG SER 68 -15.200 -3.093 -3.093
532 H SER 69 HN SER 69 -12.278 -3.128 -3.128
533 HA SER 69 HA SER 69 -9.880 -1.751 -1.751
534 1HB SER 69 HB2 SER 69 -9.375 -3.835 -3.835
535 2HB SER 69 HB3 SER 69 -10.813 -2.928 -2.928
536 HG SER 69 HG SER 69 -11.175 -4.992 -4.992
537 H ALA 70 HN ALA 70 -9.706 -2.082 -2.082
538 HA ALA 70 HA ALA 70 -8.483 -2.883 -2.883
539 1HB ALA 70 HB2 ALA 70 -6.827 -2.782 -2.782
540 2HB ALA 70 HB3 ALA 70 -6.478 -4.354 -4.354
541 3HB ALA 70 HB1 ALA 70 -6.307 -2.853 -2.853
542 H VAL 71 HN VAL 71 -9.573 -4.389 -4.389
543 HA VAL 71 HA VAL 71 -9.633 -7.112 -7.112
544 HB VAL 71 HB VAL 71 -11.768 -7.313 -7.313
545 1HG1 VAL 71 HG13 VAL 71 -11.592 -5.069 -5.069
546 2HG1 VAL 71 HG11 VAL 71 -11.779 -4.313 -4.313
547 3HG1 VAL 71 HG12 VAL 71 -13.072 -5.347 -5.347
548 1HG2 VAL 71 HG21 VAL 71 -11.077 -5.722 -5.722
549 2HG2 VAL 71 HG22 VAL 71 -11.411 -7.465 -7.465
550 3HG2 VAL 71 HG23 VAL 71 -12.724 -6.286 -6.286
551 H CYS 72 HN CYS 72 -9.065 -5.012 -5.012
552 HA CYS 72 HA CYS 72 -7.711 -7.306 -7.306
553 1HB CYS 72 HB2 CYS 72 -9.037 -5.097 -5.097
554 2HB CYS 72 HB3 CYS 72 -8.373 -6.603 -6.603
555 H GLY 73 HN GLY 73 -7.099 -4.766 -4.766
556 1HA GLY 73 HA1 GLY 73 -4.649 -4.072 -4.072
557 2HA GLY 73 HA2 GLY 73 -5.757 -2.762 -2.762
558 H VAL 74 HN VAL 74 -4.260 -1.747 -1.747
559 HA VAL 74 HA VAL 74 -3.882 -3.253 -3.253
560 HB VAL 74 HB VAL 74 -2.174 -1.119 -1.119
561 1HG1 VAL 74 HG11 VAL 74 -1.936 -2.462 -2.462
562 2HG1 VAL 74 HG12 VAL 74 -0.613 -1.568 -1.568
563 3HG1 VAL 74 HG13 VAL 74 -2.117 -0.726 -0.726
564 1HG2 VAL 74 HG21 VAL 74 -2.175 -3.662 -3.662
565 2HG2 VAL 74 HG22 VAL 74 -0.654 -2.755 -2.755
566 3HG2 VAL 74 HG23 VAL 74 -1.191 -3.852 -3.852
567 H SER 75 HN SER 75 -5.802 -0.987 -0.987
568 HA SER 75 HA SER 75 -6.784 0.894 0.894
569 1HB SER 75 HB2 SER 75 -8.387 0.480 0.480
570 2HB SER 75 HB3 SER 75 -7.980 -1.115 -1.115
571 HG SER 75 HG SER 75 -7.997 -1.038 -1.038
572 H LEU 76 HN LEU 76 -5.071 2.449 2.449
573 HA LEU 76 HA LEU 76 -4.069 2.835 2.835
574 1HB LEU 76 HB2 LEU 76 -2.737 4.132 4.132
575 2HB LEU 76 HB3 LEU 76 -2.063 3.511 3.511
576 HG LEU 76 HG LEU 76 -2.923 1.204 1.204
577 1HD1 LEU 76 HD11 LEU 76 -3.148 2.999 2.999
578 2HD1 LEU 76 HD12 LEU 76 -1.462 2.469 2.469
579 3HD1 LEU 76 HD13 LEU 76 -2.779 1.272 1.272
580 1HD2 LEU 76 HD22 LEU 76 -0.499 2.396 2.396
581 2HD2 LEU 76 HD23 LEU 76 -0.840 0.678 0.678
582 3HD2 LEU 76 HD21 LEU 76 -0.210 1.715 1.715
583 H ASP 77 HN ASP 77 -4.458 4.760 4.760
584 HA ASP 77 HA ASP 77 -5.873 6.745 6.745
585 1HB ASP 77 HB2 ASP 77 -6.838 7.266 7.266
586 2HB ASP 77 HB3 ASP 77 -7.621 6.146 6.146
587 H VAL 78 HN VAL 78 -3.038 5.995 5.995
588 HA VAL 78 HA VAL 78 -1.313 7.194 7.194
589 HB VAL 78 HB VAL 78 -3.090 9.279 9.279
590 1HG1 VAL 78 HG11 VAL 78 -1.027 9.857 9.857
591 2HG1 VAL 78 HG12 VAL 78 -1.263 11.002 11.002
592 3HG1 VAL 78 HG13 VAL 78 -2.623 10.600 10.600
593 1HG2 VAL 78 HG23 VAL 78 -0.867 7.850 7.850
594 2HG2 VAL 78 HG21 VAL 78 -1.552 9.292 9.292
595 3HG2 VAL 78 HG22 VAL 78 -0.208 9.462 9.462
596 H GLY 79 HN GLY 79 -4.356 8.806 8.806
597 1HA GLY 79 HA1 GLY 79 -3.426 9.569 9.569
598 2HA GLY 79 HA2 GLY 79 -5.094 9.217 9.217
599 H GLY 80 HN GLY 80 -3.699 6.381 6.381
600 1HA GLY 80 HA1 GLY 80 -3.898 5.277 5.277
601 2HA GLY 80 HA2 GLY 80 -4.527 4.483 4.483
602 H LYS 81 HN LYS 81 -2.031 5.661 5.661
603 HA LYS 81 HA LYS 81 -0.082 3.753 3.753
604 1HB LYS 81 HB2 LYS 81 0.270 3.863 3.863
605 2HB LYS 81 HB3 LYS 81 -0.249 2.502 2.502
606 1HG LYS 81 HG2 LYS 81 -2.223 4.652 4.652
607 2HG LYS 81 HG3 LYS 81 -1.821 3.320 3.320
608 1HD LYS 81 HD2 LYS 81 -2.876 1.733 1.733
609 2HD LYS 81 HD3 LYS 81 -2.537 2.597 2.597
610 1HE LYS 81 HE2 LYS 81 -4.713 3.272 3.272
611 2HE LYS 81 HE3 LYS 81 -4.218 4.378 4.378
612 1HZ LYS 81 HZ2 LYS 81 -4.597 1.861 1.861
613 2HZ LYS 81 HZ3 LYS 81 -5.915 2.215 2.215
614 3HZ LYS 81 HZ1 LYS 81 -5.436 3.232 3.232
615 H LYS 82 HN LYS 82 0.304 5.682 5.682
616 HA LYS 82 HA LYS 82 1.239 8.036 8.036
617 1HB LYS 82 HB2 LYS 82 3.771 7.591 7.591
618 2HB LYS 82 HB3 LYS 82 2.840 7.197 7.197
619 1HG LYS 82 HG2 LYS 82 2.768 4.887 4.887
620 2HG LYS 82 HG3 LYS 82 4.432 5.435 5.435
621 1HD LYS 82 HD2 LYS 82 4.676 4.558 4.558
622 2HD LYS 82 HD3 LYS 82 3.420 5.619 5.619
623 1HE LYS 82 HE2 LYS 82 1.841 3.955 3.955
624 2HE LYS 82 HE3 LYS 82 2.348 3.328 3.328
625 1HZ LYS 82 HZ3 LYS 82 4.308 2.406 2.406
626 2HZ LYS 82 HZ1 LYS 82 3.575 2.796 2.796
627 3HZ LYS 82 HZ2 LYS 82 2.877 1.724 1.724
628 H GLU 83 HN GLU 83 3.483 5.925 5.925
629 HA GLU 83 HA GLU 83 2.289 6.820 6.820
630 1HB GLU 83 HB2 GLU 83 5.266 7.231 7.231
631 2HB GLU 83 HB3 GLU 83 4.196 7.934 7.934
632 1HG GLU 83 HG2 GLU 83 4.482 9.746 9.746
633 2HG GLU 83 HG3 GLU 83 3.004 9.046 9.046
634 H TYR 84 HN TYR 84 2.848 5.472 5.472
635 HA TYR 84 HA TYR 84 4.443 3.109 3.109
636 1HB TYR 84 HB2 TYR 84 2.688 1.879 1.879
637 2HB TYR 84 HB3 TYR 84 2.015 2.583 2.583
638 HD1 TYR 84 HD2 TYR 84 2.683 3.666 3.666
639 HD2 TYR 84 HD1 TYR 84 -0.033 3.633 3.633
640 HE1 TYR 84 HE2 TYR 84 0.962 4.918 4.918
641 HE2 TYR 84 HE1 TYR 84 -1.744 4.885 4.885
642 HH TYR 84 HH TYR 84 -2.095 4.992 4.992
643 H LEU 85 HN LEU 85 5.461 2.009 2.009
644 HA LEU 85 HA LEU 85 6.240 3.926 3.926
645 1HB LEU 85 HB2 LEU 85 7.855 2.155 2.155
646 2HB LEU 85 HB3 LEU 85 8.001 2.737 2.737
647 HG LEU 85 HG LEU 85 8.159 0.174 0.174
648 1HD1 LEU 85 HD11 LEU 85 7.793 1.638 1.638
649 2HD1 LEU 85 HD12 LEU 85 6.459 0.462 0.462
650 3HD1 LEU 85 HD13 LEU 85 8.138 -0.107 -0.107
651 1HD2 LEU 85 HD21 LEU 85 6.027 0.011 0.011
652 2HD2 LEU 85 HD22 LEU 85 6.035 -1.016 -1.016
653 3HD2 LEU 85 HD23 LEU 85 5.165 0.537 0.537
654 H ILE 86 HN ILE 86 3.570 2.063 2.063
655 HA ILE 86 HA ILE 86 2.582 0.519 0.519
656 HB ILE 86 HB ILE 86 2.031 3.341 3.341
657 1HG1 ILE 86 HG12 ILE 86 -0.242 2.608 2.608
658 2HG1 ILE 86 HG13 ILE 86 0.145 1.011 1.011
659 1HG2 ILE 86 HG22 ILE 86 1.662 1.814 1.814
660 2HG2 ILE 86 HG23 ILE 86 0.555 3.130 3.130
661 3HG2 ILE 86 HG21 ILE 86 2.294 3.459 3.459
662 1HD1 ILE 86 HD12 ILE 86 1.866 1.615 1.615
663 2HD1 ILE 86 HD13 ILE 86 0.163 1.878 1.878
664 3HD1 ILE 86 HD11 ILE 86 0.685 0.296 0.296
665 H ALA 87 HN ALA 87 3.729 -0.872 -0.872
666 HA ALA 87 HA ALA 87 4.749 0.265 0.265
667 1HB ALA 87 HB1 ALA 87 6.136 -1.232 -1.232
668 2HB ALA 87 HB2 ALA 87 6.313 -1.974 -1.974
669 3HB ALA 87 HB3 ALA 87 6.802 -0.282 -0.282
670 H GLY 88 HN GLY 88 3.400 -0.443 -0.443
671 1HA GLY 88 HA1 GLY 88 2.747 -3.308 -3.308
672 2HA GLY 88 HA2 GLY 88 1.445 -2.138 -2.138
673 H LYS 89 HN LYS 89 1.387 -3.629 -3.629
674 HA LYS 89 HA LYS 89 3.190 -3.146 -3.146
675 1HB LYS 89 HB2 LYS 89 1.062 -4.768 -4.768
676 2HB LYS 89 HB3 LYS 89 0.326 -3.558 -3.558
677 1HG LYS 89 HG2 LYS 89 1.797 -3.982 -3.982
678 2HG LYS 89 HG3 LYS 89 3.051 -4.627 -4.627
679 1HD LYS 89 HD2 LYS 89 1.349 -6.553 -6.553
680 2HD LYS 89 HD3 LYS 89 0.477 -5.979 -5.979
681 1HE LYS 89 HE2 LYS 89 3.324 -6.201 -6.201
682 2HE LYS 89 HE3 LYS 89 2.736 -7.716 -7.716
683 1HZ LYS 89 HZ2 LYS 89 1.191 -6.338 -6.338
684 2HZ LYS 89 HZ3 LYS 89 2.478 -7.248 -7.248
685 3HZ LYS 89 HZ1 LYS 89 1.223 -7.930 -7.930
686 H ALA 90 HN ALA 90 0.764 -1.086 -1.086
687 HA ALA 90 HA ALA 90 0.373 1.081 1.081
688 1HB ALA 90 HB1 ALA 90 2.847 0.704 0.704
689 2HB ALA 90 HB2 ALA 90 1.823 1.664 1.664
690 3HB ALA 90 HB3 ALA 90 2.136 2.236 2.236
691 H GLU 91 HN GLU 91 -0.492 2.631 2.631
692 HA GLU 91 HA GLU 91 -1.948 0.931 0.931
693 1HB GLU 91 HB2 GLU 91 -3.266 1.676 1.676
694 2HB GLU 91 HB3 GLU 91 -3.363 3.232 3.232
695 1HG GLU 91 HG2 GLU 91 -5.348 1.797 1.797
696 2HG GLU 91 HG3 GLU 91 -4.468 2.225 2.225
697 H GLY 92 HN GLY 92 -0.872 4.218 4.218
698 1HA GLY 92 HA1 GLY 92 0.217 4.985 4.985
699 2HA GLY 92 HA2 GLY 92 -1.474 5.420 5.420
700 H ASP 93 HN ASP 93 1.429 6.731 6.731
701 HA ASP 93 HA ASP 93 1.705 7.907 7.907
702 1HB ASP 93 HB2 ASP 93 1.393 9.351 9.351
703 2HB ASP 93 HB3 ASP 93 1.952 10.190 10.190
704 H GLY 94 HN GLY 94 0.600 9.240 9.240
705 1HA GLY 94 HA1 GLY 94 -0.962 10.754 10.754
706 2HA GLY 94 HA2 GLY 94 -1.751 10.728 10.728
707 H LYS 95 HN LYS 95 -1.283 7.513 7.513
708 HA LYS 95 HA LYS 95 -3.092 6.897 6.897
709 1HB LYS 95 HB2 LYS 95 -5.103 6.369 6.369
710 2HB LYS 95 HB3 LYS 95 -4.694 8.023 8.023
711 1HG LYS 95 HG2 LYS 95 -3.771 5.738 5.738
712 2HG LYS 95 HG3 LYS 95 -5.400 6.368 6.368
713 1HD LYS 95 HD2 LYS 95 -4.656 8.510 8.510
714 2HD LYS 95 HD3 LYS 95 -3.059 8.293 8.293
715 1HE LYS 95 HE2 LYS 95 -2.346 7.672 7.672
716 2HE LYS 95 HE3 LYS 95 -3.263 6.192 6.192
717 1HZ LYS 95 HZ2 LYS 95 -4.933 8.339 8.339
718 2HZ LYS 95 HZ3 LYS 95 -3.728 8.140 8.140
719 3HZ LYS 95 HZ1 LYS 95 -4.722 6.894 6.894
720 H MET 96 HN MET 96 -3.122 4.653 4.653
721 HA MET 96 HA MET 96 -2.025 2.975 2.975
722 1HB MET 96 HB2 MET 96 -0.494 2.053 2.053
723 2HB MET 96 HB3 MET 96 0.079 3.299 3.299
724 1HG MET 96 HG2 MET 96 0.067 4.890 4.890
725 2HG MET 96 HG3 MET 96 -1.540 4.443 4.443
726 1HE MET 96 HE2 MET 96 1.909 4.598 4.598
727 2HE MET 96 HE3 MET 96 1.619 4.828 4.828
728 3HE MET 96 HE1 MET 96 2.493 3.388 3.388
729 H HIS 97 HN HIS 97 -1.588 0.640 0.640
730 HA HIS 97 HA HIS 97 -4.125 0.283 0.283
731 1HB HIS 97 HB2 HIS 97 -3.335 -0.875 -0.875
732 2HB HIS 97 HB3 HIS 97 -3.451 -2.149 -2.149
733 HD1 HIS 97 HD1 HIS 97 -5.602 -3.120 -3.120
734 HD2 HIS 97 HD2 HIS 97 -5.988 0.839 0.839
735 HE1 HIS 97 HE1 HIS 97 -8.096 -2.585 -2.585
736 H ILE 98 HN ILE 98 -3.933 -0.715 -0.715
737 HA ILE 98 HA ILE 98 -1.546 -2.314 -2.314
738 HB ILE 98 HB ILE 98 -1.024 -1.167 -1.167
739 1HG1 ILE 98 HG12 ILE 98 -3.445 0.503 0.503
740 2HG1 ILE 98 HG13 ILE 98 -3.076 -0.361 -0.361
741 1HG2 ILE 98 HG22 ILE 98 -0.310 -0.358 -0.358
742 2HG2 ILE 98 HG23 ILE 98 -1.157 1.116 1.116
743 3HG2 ILE 98 HG21 ILE 98 0.208 0.487 0.487
744 1HD1 ILE 98 HD12 ILE 98 -1.045 1.675 1.675
745 2HD1 ILE 98 HD13 ILE 98 -2.649 2.326 2.326
746 3HD1 ILE 98 HD11 ILE 98 -1.758 1.327 1.327
747 H THR 99 HN THR 99 -1.873 -4.002 -4.002
748 HA THR 99 HA THR 99 -4.471 -4.094 -4.094
749 HB THR 99 HB THR 99 -4.419 -6.615 -6.615
750 HG1 THR 99 HG1 THR 99 -3.290 -6.626 -6.626
751 1HG2 THR 99 HG22 THR 99 -6.096 -4.664 -4.664
752 2HG2 THR 99 HG23 THR 99 -5.093 -4.446 -4.446
753 3HG2 THR 99 HG21 THR 99 -5.927 -5.994 -5.994
754 H LEU 100 HN LEU 100 -4.577 -5.912 -5.912
755 HA LEU 100 HA LEU 100 -2.389 -5.733 -5.733
756 1HB LEU 100 HB2 LEU 100 -3.613 -6.993 -6.993
757 2HB LEU 100 HB3 LEU 100 -4.871 -6.344 -6.344
758 HG LEU 100 HG LEU 100 -3.698 -9.036 -9.036
759 1HD1 LEU 100 HD13 LEU 100 -5.425 -8.356 -8.356
760 2HD1 LEU 100 HD11 LEU 100 -5.765 -9.854 -9.854
761 3HD1 LEU 100 HD12 LEU 100 -4.160 -9.595 -9.595
762 1HD2 LEU 100 HD23 LEU 100 -5.714 -7.435 -7.435
763 2HD2 LEU 100 HD21 LEU 100 -5.343 -9.134 -9.134
764 3HD2 LEU 100 HD22 LEU 100 -6.564 -8.745 -8.745
765 H CYS 101 HN CYS 101 -3.336 -8.235 -8.235
766 HA CYS 101 HA CYS 101 -1.315 -10.035 -10.035
767 1HB CYS 101 HB2 CYS 101 -3.469 -10.138 -10.138
768 2HB CYS 101 HB3 CYS 101 -2.229 -9.899 -9.899
769 H ASP 102 HN ASP 102 -1.484 -7.101 -7.101
770 HA ASP 102 HA ASP 102 0.956 -7.582 -7.582
771 1HB ASP 102 HB2 ASP 102 -1.092 -5.926 -5.926
772 2HB ASP 102 HB3 ASP 102 -0.144 -4.803 -4.803
773 H PHE 103 HN PHE 103 2.833 -5.853 -5.853
774 HA PHE 103 HA PHE 103 3.704 -5.951 -5.951
775 1HB PHE 103 HB2 PHE 103 5.316 -6.046 -6.046
776 2HB PHE 103 HB3 PHE 103 4.583 -4.683 -4.683
777 HD1 PHE 103 HD2 PHE 103 5.091 -4.394 -4.394
778 HD2 PHE 103 HD1 PHE 103 6.844 -3.710 -3.710
779 HE1 PHE 103 HE2 PHE 103 6.772 -2.855 -2.855
780 HE2 PHE 103 HE1 PHE 103 8.525 -2.171 -2.171
781 HZ PHE 103 HZ PHE 103 8.469 -1.762 -1.762
782 H ILE 104 HN ILE 104 3.138 -4.601 -4.601
783 HA ILE 104 HA ILE 104 3.155 -1.794 -1.794
784 HB ILE 104 HB ILE 104 0.703 -1.607 -1.607
785 1HG1 ILE 104 HG12 ILE 104 0.576 -4.274 -4.274
786 2HG1 ILE 104 HG13 ILE 104 0.358 -4.041 -4.041
787 1HG2 ILE 104 HG22 ILE 104 1.950 -1.178 -1.178
788 2HG2 ILE 104 HG23 ILE 104 0.670 -2.318 -2.318
789 3HG2 ILE 104 HG21 ILE 104 0.244 -0.796 -0.796
790 1HD1 ILE 104 HD13 ILE 104 -1.526 -2.380 -2.380
791 2HD1 ILE 104 HD11 ILE 104 -1.402 -3.004 -3.004
792 3HD1 ILE 104 HD12 ILE 104 -1.851 -4.098 -4.098
793 H VAL 105 HN VAL 105 3.642 -0.812 -0.812
794 HA VAL 105 HA VAL 105 2.912 -2.091 -2.091
795 HB VAL 105 HB VAL 105 5.593 -1.767 -1.767
796 1HG1 VAL 105 HG11 VAL 105 3.675 -3.948 -3.948
797 2HG1 VAL 105 HG12 VAL 105 5.323 -4.471 -4.471
798 3HG1 VAL 105 HG13 VAL 105 5.007 -3.712 -3.712
799 1HG2 VAL 105 HG21 VAL 105 5.272 -2.970 -2.970
800 2HG2 VAL 105 HG22 VAL 105 6.132 -1.468 -1.468
801 3HG2 VAL 105 HG23 VAL 105 6.756 -3.038 -3.038
802 HA PRO 106 HA PRO 106 3.100 2.044 2.044
803 1HB PRO 106 HB2 PRO 106 3.423 1.844 1.844
804 2HB PRO 106 HB3 PRO 106 1.880 1.622 1.622
805 1HG PRO 106 HG2 PRO 106 3.678 -0.420 -0.420
806 2HG PRO 106 HG3 PRO 106 1.980 -0.558 -0.558
807 1HD PRO 106 HD2 PRO 106 4.196 -1.599 -1.599
808 2HD PRO 106 HD3 PRO 106 2.507 -1.635 -1.635
809 H TRP 107 HN TRP 107 5.722 0.387 0.387
810 HA TRP 107 HA TRP 107 7.851 0.982 0.982
811 1HB TRP 107 HB2 TRP 107 6.900 3.223 3.223
812 2HB TRP 107 HB3 TRP 107 7.110 3.712 3.712
813 HD1 TRP 107 HD1 TRP 107 9.552 2.014 2.014
814 HE1 TRP 107 HE1 TRP 107 11.892 3.234 3.234
815 HE3 TRP 107 HE3 TRP 107 8.304 5.478 5.478
816 HZ2 TRP 107 HZ2 TRP 107 12.934 5.460 5.460
817 HZ3 TRP 107 HZ3 TRP 107 10.040 7.138 7.138
818 HH2 TRP 107 HH2 TRP 107 12.290 7.166 7.166
819 H ASP 108 HN ASP 108 6.512 2.632 2.632
820 HA ASP 108 HA ASP 108 8.767 2.031 2.031
821 1HB ASP 108 HB2 ASP 108 7.287 3.857 3.857
822 2HB ASP 108 HB3 ASP 108 5.904 2.786 2.786
823 H THR 109 HN THR 109 8.286 -0.401 -0.401
824 HA THR 109 HA THR 109 7.668 -2.065 -2.065
825 HB THR 109 HB THR 109 5.867 -3.308 -3.308
826 HG1 THR 109 HG1 THR 109 6.053 -2.204 -2.204
827 1HG2 THR 109 HG23 THR 109 5.366 -1.734 -1.734
828 2HG2 THR 109 HG21 THR 109 5.085 -0.464 -0.464
829 3HG2 THR 109 HG22 THR 109 4.064 -1.922 -1.922
830 H LEU 110 HN LEU 110 8.037 -2.001 -2.001
831 HA LEU 110 HA LEU 110 8.879 -3.950 -3.950
832 1HB LEU 110 HB2 LEU 110 11.146 -2.138 -2.138
833 2HB LEU 110 HB3 LEU 110 11.138 -3.215 -3.215
834 HG LEU 110 HG LEU 110 9.212 -0.902 -0.902
835 1HD1 LEU 110 HD13 LEU 110 11.762 -0.386 -0.386
836 2HD1 LEU 110 HD11 LEU 110 11.532 -0.851 -0.851
837 3HD1 LEU 110 HD12 LEU 110 10.592 0.494 0.494
838 1HD2 LEU 110 HD22 LEU 110 9.131 -3.115 -3.115
839 2HD2 LEU 110 HD23 LEU 110 8.180 -1.615 -1.615
840 3HD2 LEU 110 HD21 LEU 110 9.719 -1.764 -1.764
841 H SER 111 HN SER 111 11.909 -3.587 -3.587
842 HA SER 111 HA SER 111 12.012 -4.964 -4.964
843 1HB SER 111 HB2 SER 111 11.053 -6.875 -6.875
844 2HB SER 111 HB3 SER 111 12.227 -7.485 -7.485
845 HG SER 111 HG SER 111 10.714 -7.561 -7.561
846 H THR 112 HN THR 112 13.026 -5.313 -5.313
847 HA THR 112 HA THR 112 15.505 -4.404 -4.404
848 HB THR 112 HB THR 112 15.342 -7.003 -7.003
849 HG1 THR 112 HG1 THR 112 15.992 -4.793 -4.793
850 1HG2 THR 112 HG22 THR 112 17.426 -6.384 -6.384
851 2HG2 THR 112 HG23 THR 112 17.904 -7.219 -7.219
852 3HG2 THR 112 HG21 THR 112 16.697 -7.954 -7.954
853 H THR 113 HN THR 113 14.213 -7.690 -7.690
854 HA THR 113 HA THR 113 15.462 -7.846 -7.846
855 HB THR 113 HB THR 113 12.804 -8.976 -8.976
856 HG1 THR 113 HG1 THR 113 14.678 -9.609 -9.609
857 1HG2 THR 113 HG23 THR 113 14.638 -9.957 -9.957
858 2HG2 THR 113 HG21 THR 113 13.171 -10.775 -10.775
859 3HG2 THR 113 HG22 THR 113 13.042 -9.214 -9.214
860 H GLN 114 HN GLN 114 12.786 -5.828 -5.828
861 HA GLN 114 HA GLN 114 11.939 -5.433 -5.433
862 1HB GLN 114 HB2 GLN 114 11.003 -4.560 -4.560
863 2HB GLN 114 HB3 GLN 114 10.558 -3.550 -3.550
864 1HG GLN 114 HG2 GLN 114 8.786 -5.023 -5.023
865 2HG GLN 114 HG3 GLN 114 9.920 -5.943 -5.943
866 1HE2 GLN 114 HE22 GLN 114 10.823 -8.212 -8.212
867 2HE2 GLN 114 HE21 GLN 114 11.550 -7.220 -7.220
868 H LYS 115 HN LYS 115 13.869 -3.800 -3.800
869 HA LYS 115 HA LYS 115 14.051 -1.329 -1.329
870 1HB LYS 115 HB2 LYS 115 15.121 -2.569 -2.569
871 2HB LYS 115 HB3 LYS 115 16.244 -1.466 -1.466
872 1HG LYS 115 HG2 LYS 115 14.881 0.390 0.390
873 2HG LYS 115 HG3 LYS 115 13.398 -0.536 -0.536
874 1HD LYS 115 HD2 LYS 115 15.288 -0.413 -0.413
875 2HD LYS 115 HD3 LYS 115 13.641 0.182 0.182
876 1HE LYS 115 HE2 LYS 115 13.017 -2.320 -2.320
877 2HE LYS 115 HE3 LYS 115 14.601 -2.698 -2.698
878 1HZ LYS 115 HZ3 LYS 115 13.815 -1.254 -1.254
879 2HZ LYS 115 HZ1 LYS 115 12.312 -1.534 -1.534
880 3HZ LYS 115 HZ2 LYS 115 13.259 -2.784 -2.784
881 H LYS 116 HN LYS 116 15.980 -4.360 -4.360
882 HA LYS 116 HA LYS 116 18.143 -3.347 -3.347
883 1HB LYS 116 HB2 LYS 116 18.633 -5.762 -5.762
884 2HB LYS 116 HB3 LYS 116 18.407 -5.345 -5.345
885 1HG LYS 116 HG2 LYS 116 16.410 -6.515 -6.515
886 2HG LYS 116 HG3 LYS 116 15.936 -6.179 -6.179
887 1HD LYS 116 HD2 LYS 116 18.256 -7.768 -7.768
888 2HD LYS 116 HD3 LYS 116 17.398 -8.489 -8.489
889 1HE LYS 116 HE2 LYS 116 15.274 -8.321 -8.321
890 2HE LYS 116 HE3 LYS 116 16.418 -8.083 -8.083
891 1HZ LYS 116 HZ1 LYS 116 16.634 -10.338 -10.338
892 2HZ LYS 116 HZ2 LYS 116 15.757 -10.422 -10.422
893 3HZ LYS 116 HZ3 LYS 116 17.367 -10.161 -10.161
894 H SER 117 HN SER 117 14.859 -4.004 -4.004
895 HA SER 117 HA SER 117 15.574 -4.394 -4.394
896 1HB SER 117 HB2 SER 117 13.509 -5.383 -5.383
897 2HB SER 117 HB3 SER 117 12.703 -4.140 -4.140
898 HG SER 117 HG SER 117 13.606 -5.154 -5.154
899 H LEU 118 HN LEU 118 14.858 -1.882 -1.882
900 HA LEU 118 HA LEU 118 13.415 -0.159 -0.159
901 1HB LEU 118 HB2 LEU 118 14.967 0.264 0.264
902 2HB LEU 118 HB3 LEU 118 14.144 1.564 1.564
903 HG LEU 118 HG LEU 118 12.883 -0.897 -0.897
904 1HD1 LEU 118 HD12 LEU 118 13.528 1.681 1.681
905 2HD1 LEU 118 HD13 LEU 118 11.756 1.556 1.556
906 3HD1 LEU 118 HD11 LEU 118 12.674 0.336 0.336
907 1HD2 LEU 118 HD22 LEU 118 11.736 1.170 1.170
908 2HD2 LEU 118 HD23 LEU 118 11.542 -0.600 -0.600
909 3HD2 LEU 118 HD21 LEU 118 10.715 0.380 0.380
910 H ASN 119 HN ASN 119 16.829 -0.967 -0.967
911 HA ASN 119 HA ASN 119 17.630 1.331 1.331
912 1HB ASN 119 HB2 ASN 119 19.930 0.559 0.559
913 2HB ASN 119 HB3 ASN 119 19.000 0.541 0.541
914 1HD2 ASN 119 HD22 ASN 119 19.260 -2.861 -2.861
915 2HD2 ASN 119 HD21 ASN 119 18.698 -1.295 -1.295
916 H HIS 120 HN HIS 120 16.331 -1.703 -1.703
917 HA HIS 120 HA HIS 120 18.086 -2.462 -2.462
918 1HB HIS 120 HB2 HIS 120 15.804 -3.628 -3.628
919 2HB HIS 120 HB3 HIS 120 15.843 -4.026 -4.026
920 HD1 HIS 120 HD1 HIS 120 18.716 -3.756 -3.756
921 HD2 HIS 120 HD2 HIS 120 16.995 -6.494 -6.494
922 HE1 HIS 120 HE1 HIS 120 20.176 -5.847 -5.847
923 H ARG 121 HN ARG 121 16.252 0.140 0.140
924 HA ARG 121 HA ARG 121 15.171 1.433 1.433
925 1HB ARG 121 HB2 ARG 121 16.737 -0.278 -0.278
926 2HB ARG 121 HB3 ARG 121 15.486 0.736 0.736
927 1HG ARG 121 HG2 ARG 121 17.607 1.814 1.814
928 2HG ARG 121 HG3 ARG 121 17.828 1.786 1.786
929 1HD ARG 121 HD2 ARG 121 15.901 3.250 3.250
930 2HD ARG 121 HD3 ARG 121 15.427 3.118 3.118
931 HE ARG 121 HE ARG 121 18.020 4.103 4.103
932 1HH1 ARG 121 HH22 ARG 121 15.083 5.132 5.132
933 2HH1 ARG 121 HH21 ARG 121 15.496 6.814 6.814
934 1HH2 ARG 121 HH12 ARG 121 18.566 6.321 6.321
935 2HH2 ARG 121 HH11 ARG 121 17.490 7.495 7.495
936 H TYR 122 HN TYR 122 14.885 -1.464 -1.464
937 HA TYR 122 HA TYR 122 12.168 -1.929 -1.929
938 1HB TYR 122 HB2 TYR 122 11.203 -0.889 -0.889
939 2HB TYR 122 HB3 TYR 122 12.737 -0.058 -0.058
940 HD1 TYR 122 HD1 TYR 122 14.425 -0.851 -0.851
941 HD2 TYR 122 HD2 TYR 122 10.558 -2.660 -2.660
942 HE1 TYR 122 HE1 TYR 122 14.754 -1.935 -1.935
943 HE2 TYR 122 HE2 TYR 122 10.900 -3.737 -3.737
944 HH TYR 122 HH TYR 122 13.994 -3.586 -3.586
945 H GLN 123 HN GLN 123 12.684 -4.071 -4.071
946 HA GLN 123 HA GLN 123 13.251 -6.150 -6.150
947 1HB GLN 123 HB2 GLN 123 11.257 -6.194 -6.194
948 2HB GLN 123 HB3 GLN 123 12.119 -5.533 -5.533
949 1HG GLN 123 HG2 GLN 123 13.593 -7.843 -7.843
950 2HG GLN 123 HG3 GLN 123 11.908 -8.314 -8.314
951 1HE2 GLN 123 HE22 GLN 123 12.202 -9.133 -9.133
952 2HE2 GLN 123 HE21 GLN 123 12.139 -9.695 -9.695
953 H MET 124 HN MET 124 15.555 -5.014 -5.014
954 HA MET 124 HA MET 124 17.074 -4.927 -4.927
955 1HB MET 124 HB2 MET 124 17.421 -4.563 -4.563
956 2HB MET 124 HB3 MET 124 18.825 -5.337 -5.337
957 1HG MET 124 HG2 MET 124 17.893 -3.123 -3.123
958 2HG MET 124 HG3 MET 124 18.206 -2.572 -2.572
959 1HE MET 124 HE3 MET 124 19.429 -3.368 -3.368
960 2HE MET 124 HE1 MET 124 21.160 -3.768 -3.768
961 3HE MET 124 HE2 MET 124 19.934 -4.999 -4.999
962 H GLY 125 HN GLY 125 15.985 -7.267 -7.267
963 1HA GLY 125 HA1 GLY 125 16.331 -9.455 -9.455
964 2HA GLY 125 HA2 GLY 125 18.041 -9.081 -9.081
965 H CYS 126 HN CYS 126 15.918 -8.473 -8.473
966 HA CYS 126 HA CYS 126 17.525 -9.901 -9.901
967 1HB CYS 126 HB2 CYS 126 16.098 -9.245 -9.245
968 2HB CYS 126 HB3 CYS 126 15.674 -8.089 -8.089
969 H GLU 127 HN GLU 127 15.863 -11.596 -11.596
970 HA GLU 127 HA GLU 127 14.347 -13.364 -13.364
971 1HB GLU 127 HB2 GLU 127 16.528 -13.868 -13.868
972 2HB GLU 127 HB3 GLU 127 17.205 -14.353 -14.353
973 1HG GLU 127 HG2 GLU 127 16.506 -16.420 -16.420
974 2HG GLU 127 HG3 GLU 127 15.121 -15.974 -15.974
Start of MODEL 23
1 H CYS 1 HN CYS 1 -11.167 -9.299 -9.299
2 HA CYS 1 HA CYS 1 -10.631 -12.095 -12.095
3 1HB CYS 1 HB2 CYS 1 -8.759 -11.747 -11.747
4 2HB CYS 1 HB3 CYS 1 -9.711 -10.369 -10.369
5 H SER 2 HN SER 2 -8.373 -12.651 -12.651
6 HA SER 2 HA SER 2 -7.825 -10.999 -10.999
7 1HB SER 2 HB2 SER 2 -9.608 -13.344 -13.344
8 2HB SER 2 HB3 SER 2 -8.243 -13.406 -13.406
9 HG SER 2 HG SER 2 -10.201 -12.266 -12.266
10 H CYS 3 HN CYS 3 -6.321 -11.877 -11.877
11 HA CYS 3 HA CYS 3 -4.895 -14.197 -14.197
12 1HB CYS 3 HB2 CYS 3 -4.655 -13.154 -13.154
13 2HB CYS 3 HB3 CYS 3 -4.320 -11.586 -11.586
14 H SER 4 HN SER 4 -2.498 -14.343 -14.343
15 HA SER 4 HA SER 4 -2.236 -12.894 -12.894
16 1HB SER 4 HB2 SER 4 -0.660 -14.648 -14.648
17 2HB SER 4 HB3 SER 4 -2.136 -15.383 -15.383
18 HG SER 4 HG SER 4 0.459 -15.516 -15.516
19 HA PRO 5 HA PRO 5 0.878 -10.575 -10.575
20 1HB PRO 5 HB2 PRO 5 1.295 -8.720 -8.720
21 2HB PRO 5 HB3 PRO 5 0.036 -8.568 -8.568
22 1HG PRO 5 HG2 PRO 5 -0.212 -9.312 -9.312
23 2HG PRO 5 HG3 PRO 5 -1.454 -8.747 -8.747
24 1HD PRO 5 HD2 PRO 5 -1.033 -11.447 -11.447
25 2HD PRO 5 HD3 PRO 5 -2.199 -10.899 -10.899
26 H VAL 6 HN VAL 6 2.735 -11.620 -11.620
27 HA VAL 6 HA VAL 6 4.447 -11.804 -11.804
28 HB VAL 6 HB VAL 6 3.308 -13.973 -13.973
29 1HG1 VAL 6 HG11 VAL 6 4.129 -13.376 -13.376
30 2HG1 VAL 6 HG12 VAL 6 4.861 -14.915 -14.915
31 3HG1 VAL 6 HG13 VAL 6 3.096 -14.698 -14.698
32 1HG2 VAL 6 HG21 VAL 6 6.205 -13.495 -13.495
33 2HG2 VAL 6 HG22 VAL 6 5.150 -14.556 -14.556
34 3HG2 VAL 6 HG23 VAL 6 5.776 -15.114 -15.114
35 H HIS 7 HN HIS 7 6.115 -13.433 -13.433
36 HA HIS 7 HA HIS 7 7.985 -12.827 -12.827
37 1HB HIS 7 HB2 HIS 7 7.319 -11.293 -11.293
38 2HB HIS 7 HB3 HIS 7 6.882 -12.987 -12.987
39 HD1 HIS 7 HD1 HIS 7 4.468 -13.481 -13.481
40 HD2 HIS 7 HD2 HIS 7 5.066 -9.562 -9.562
41 HE1 HIS 7 HE1 HIS 7 2.178 -12.353 -12.353
42 HA PRO 8 HA PRO 8 8.745 -8.913 -8.913
43 1HB PRO 8 HB2 PRO 8 11.044 -9.658 -9.658
44 2HB PRO 8 HB3 PRO 8 9.457 -9.783 -9.783
45 1HG PRO 8 HG2 PRO 8 11.164 -11.931 -11.931
46 2HG PRO 8 HG3 PRO 8 9.803 -12.064 -12.064
47 1HD PRO 8 HD2 PRO 8 9.811 -12.660 -12.660
48 2HD PRO 8 HD3 PRO 8 8.425 -12.680 -12.680
49 H GLN 9 HN GLN 9 9.951 -10.523 -10.523
50 HA GLN 9 HA GLN 9 11.699 -8.273 -8.273
51 1HB GLN 9 HB2 GLN 9 13.137 -10.166 -10.166
52 2HB GLN 9 HB3 GLN 9 12.414 -11.197 -11.197
53 1HG GLN 9 HG2 GLN 9 13.942 -10.456 -10.456
54 2HG GLN 9 HG3 GLN 9 13.249 -8.851 -8.851
55 1HE2 GLN 9 HE22 GLN 9 15.533 -7.771 -7.771
56 2HE2 GLN 9 HE21 GLN 9 13.836 -7.820 -7.820
57 H GLN 10 HN GLN 10 9.863 -11.138 -11.138
58 HA GLN 10 HA GLN 10 10.020 -10.444 -10.444
59 1HB GLN 10 HB2 GLN 10 9.078 -12.488 -12.488
60 2HB GLN 10 HB3 GLN 10 8.821 -12.490 -12.490
61 1HG GLN 10 HG2 GLN 10 6.623 -12.720 -12.720
62 2HG GLN 10 HG3 GLN 10 6.719 -10.980 -10.980
63 1HE2 GLN 10 HE22 GLN 10 5.193 -11.284 -11.284
64 2HE2 GLN 10 HE21 GLN 10 4.848 -11.384 -11.384
65 H ALA 11 HN ALA 11 8.553 -8.793 -8.793
66 HA ALA 11 HA ALA 11 6.220 -7.914 -7.914
67 1HB ALA 11 HB1 ALA 11 7.312 -7.789 -7.789
68 2HB ALA 11 HB2 ALA 11 6.606 -6.241 -6.241
69 3HB ALA 11 HB3 ALA 11 5.621 -7.724 -7.724
70 H PHE 12 HN PHE 12 9.555 -6.833 -6.833
71 HA PHE 12 HA PHE 12 9.019 -4.259 -4.259
72 1HB PHE 12 HB2 PHE 12 11.486 -5.667 -5.667
73 2HB PHE 12 HB3 PHE 12 11.523 -4.015 -4.015
74 HD1 PHE 12 HD1 PHE 12 9.098 -5.897 -5.897
75 HD2 PHE 12 HD2 PHE 12 11.692 -2.558 -2.558
76 HE1 PHE 12 HE1 PHE 12 8.365 -5.080 -5.080
77 HE2 PHE 12 HE2 PHE 12 10.958 -1.740 -1.740
78 HZ PHE 12 HZ PHE 12 9.303 -3.011 -3.011
79 H CYS 13 HN CYS 13 9.366 -7.267 -7.267
80 HA CYS 13 HA CYS 13 11.123 -6.342 -6.342
81 1HB CYS 13 HB2 CYS 13 10.785 -8.975 -8.975
82 2HB CYS 13 HB3 CYS 13 11.004 -9.003 -9.003
83 H ASN 14 HN ASN 14 7.915 -7.010 -7.010
84 HA ASN 14 HA ASN 14 7.087 -7.708 -7.708
85 1HB ASN 14 HB2 ASN 14 6.213 -8.515 -8.515
86 2HB ASN 14 HB3 ASN 14 4.944 -7.445 -7.445
87 1HD2 ASN 14 HD22 ASN 14 5.638 -11.118 -11.118
88 2HD2 ASN 14 HD21 ASN 14 6.707 -10.396 -10.396
89 H ALA 15 HN ALA 15 6.754 -5.291 -5.291
90 HA ALA 15 HA ALA 15 4.734 -3.726 -3.726
91 1HB ALA 15 HB3 ALA 15 7.194 -3.007 -3.007
92 2HB ALA 15 HB1 ALA 15 5.808 -1.921 -1.921
93 3HB ALA 15 HB2 ALA 15 5.585 -3.456 -3.456
94 H ASP 16 HN ASP 16 5.110 -1.374 -1.374
95 HA ASP 16 HA ASP 16 7.382 -1.257 -1.257
96 1HB ASP 16 HB2 ASP 16 4.524 -1.565 -1.565
97 2HB ASP 16 HB3 ASP 16 5.438 -0.344 -0.344
98 H VAL 17 HN VAL 17 5.854 0.072 0.072
99 HA VAL 17 HA VAL 17 6.566 2.734 2.734
100 HB VAL 17 HB VAL 17 4.445 2.601 2.601
101 1HG1 VAL 17 HG11 VAL 17 3.481 0.853 0.853
102 2HG1 VAL 17 HG12 VAL 17 3.003 2.250 2.250
103 3HG1 VAL 17 HG13 VAL 17 2.375 2.080 2.080
104 1HG2 VAL 17 HG21 VAL 17 5.290 4.648 4.648
105 2HG2 VAL 17 HG22 VAL 17 3.694 4.680 4.680
106 3HG2 VAL 17 HG23 VAL 17 3.824 4.308 4.308
107 H VAL 18 HN VAL 18 7.859 2.523 2.523
108 HA VAL 18 HA VAL 18 6.409 1.991 1.991
109 HB VAL 18 HB VAL 18 9.366 2.294 2.294
110 1HG1 VAL 18 HG13 VAL 18 7.346 1.145 1.145
111 2HG1 VAL 18 HG11 VAL 18 8.604 -0.051 -0.051
112 3HG1 VAL 18 HG12 VAL 18 9.057 1.510 1.510
113 1HG2 VAL 18 HG21 VAL 18 8.751 0.981 0.981
114 2HG2 VAL 18 HG22 VAL 18 9.757 0.097 0.097
115 3HG2 VAL 18 HG23 VAL 18 8.012 -0.235 -0.235
116 H ILE 19 HN ILE 19 5.710 3.711 3.711
117 HA ILE 19 HA ILE 19 7.432 6.051 6.051
118 HB ILE 19 HB ILE 19 5.750 7.594 7.594
119 1HG1 ILE 19 HG12 ILE 19 3.909 5.268 5.268
120 2HG1 ILE 19 HG13 ILE 19 3.716 6.931 6.931
121 1HG2 ILE 19 HG21 ILE 19 7.002 6.500 6.500
122 2HG2 ILE 19 HG22 ILE 19 5.646 5.364 5.364
123 3HG2 ILE 19 HG23 ILE 19 5.399 7.104 7.104
124 1HD1 ILE 19 HD13 ILE 19 3.572 7.539 7.539
125 2HD1 ILE 19 HD11 ILE 19 3.377 5.792 5.792
126 3HD1 ILE 19 HD12 ILE 19 2.186 6.673 6.673
127 H ARG 20 HN ARG 20 7.635 6.725 6.725
128 HA ARG 20 HA ARG 20 6.100 5.363 5.363
129 1HB ARG 20 HB2 ARG 20 8.563 6.012 6.012
130 2HB ARG 20 HB3 ARG 20 8.056 7.681 7.681
131 1HG ARG 20 HG2 ARG 20 6.593 6.950 6.950
132 2HG ARG 20 HG3 ARG 20 7.341 5.370 5.370
133 1HD ARG 20 HD2 ARG 20 8.461 6.837 6.837
134 2HD ARG 20 HD3 ARG 20 9.564 6.318 6.318
135 HE ARG 20 HE ARG 20 8.885 8.631 8.631
136 1HH1 ARG 20 HH22 ARG 20 9.294 7.991 7.991
137 2HH1 ARG 20 HH21 ARG 20 9.749 9.619 9.619
138 1HH2 ARG 20 HH12 ARG 20 9.485 10.778 10.778
139 2HH2 ARG 20 HH11 ARG 20 9.859 11.215 11.215
140 H THR 21 HN THR 21 4.394 6.910 6.910
141 HA THR 21 HA THR 21 3.859 9.481 9.481
142 HB THR 21 HB THR 21 3.057 8.798 8.798
143 HG1 THR 21 HG1 THR 21 0.824 8.640 8.640
144 1HG2 THR 21 HG21 THR 21 2.820 6.277 6.277
145 2HG2 THR 21 HG22 THR 21 1.191 6.773 6.773
146 3HG2 THR 21 HG23 THR 21 1.662 6.917 6.917
147 H LYS 22 HN LYS 22 1.506 9.964 9.964
148 HA LYS 22 HA LYS 22 1.052 8.118 8.118
149 1HB LYS 22 HB2 LYS 22 0.803 9.992 9.992
150 2HB LYS 22 HB3 LYS 22 2.403 9.993 9.993
151 1HG LYS 22 HG2 LYS 22 1.797 11.766 11.766
152 2HG LYS 22 HG3 LYS 22 0.102 11.648 11.648
153 1HD LYS 22 HD2 LYS 22 2.397 12.750 12.750
154 2HD LYS 22 HD3 LYS 22 0.898 13.544 13.544
155 1HE LYS 22 HE2 LYS 22 -0.295 11.698 11.698
156 2HE LYS 22 HE3 LYS 22 1.294 11.322 11.322
157 1HZ LYS 22 HZ2 LYS 22 0.766 14.102 14.102
158 2HZ LYS 22 HZ3 LYS 22 -0.351 13.268 13.268
159 3HZ LYS 22 HZ1 LYS 22 1.234 13.120 13.120
160 H ALA 23 HN ALA 23 -0.985 7.351 7.351
161 HA ALA 23 HA ALA 23 -2.921 8.797 8.797
162 1HB ALA 23 HB3 ALA 23 -2.585 6.377 6.377
163 2HB ALA 23 HB1 ALA 23 -3.011 6.067 6.067
164 3HB ALA 23 HB2 ALA 23 -4.233 6.715 6.715
165 H VAL 24 HN VAL 24 -3.874 10.478 10.478
166 HA VAL 24 HA VAL 24 -4.679 9.965 9.965
167 HB VAL 24 HB VAL 24 -4.910 12.526 12.526
168 1HG1 VAL 24 HG12 VAL 24 -2.247 11.084 11.084
169 2HG1 VAL 24 HG13 VAL 24 -2.415 12.786 12.786
170 3HG1 VAL 24 HG11 VAL 24 -3.214 11.507 11.507
171 1HG2 VAL 24 HG21 VAL 24 -4.703 12.647 12.647
172 2HG2 VAL 24 HG22 VAL 24 -3.657 13.761 13.761
173 3HG2 VAL 24 HG23 VAL 24 -2.973 12.279 12.279
174 H SER 25 HN SER 25 -5.727 10.889 10.889
175 HA SER 25 HA SER 25 -8.459 10.825 10.825
176 1HB SER 25 HB2 SER 25 -8.340 12.981 12.981
177 2HB SER 25 HB3 SER 25 -7.102 12.576 12.576
178 HG SER 25 HG SER 25 -9.078 12.984 12.984
179 H GLU 26 HN GLU 26 -10.081 10.121 10.121
180 HA GLU 26 HA GLU 26 -8.881 8.369 8.369
181 1HB GLU 26 HB2 GLU 26 -10.513 7.365 7.365
182 2HB GLU 26 HB3 GLU 26 -10.520 6.489 6.489
183 1HG GLU 26 HG2 GLU 26 -8.619 5.470 5.470
184 2HG GLU 26 HG3 GLU 26 -7.797 6.985 6.985
185 H LYS 27 HN LYS 27 -10.983 7.084 7.084
186 HA LYS 27 HA LYS 27 -13.248 8.888 8.888
187 1HB LYS 27 HB2 LYS 27 -11.638 9.815 9.815
188 2HB LYS 27 HB3 LYS 27 -11.601 8.274 8.274
189 1HG LYS 27 HG2 LYS 27 -13.733 8.531 8.531
190 2HG LYS 27 HG3 LYS 27 -14.323 9.426 9.426
191 1HD LYS 27 HD2 LYS 27 -14.071 10.792 10.792
192 2HD LYS 27 HD3 LYS 27 -13.283 11.469 11.469
193 1HE LYS 27 HE2 LYS 27 -11.100 10.594 10.594
194 2HE LYS 27 HE3 LYS 27 -11.844 9.724 9.724
195 1HZ LYS 27 HZ2 LYS 27 -12.613 11.916 11.916
196 2HZ LYS 27 HZ3 LYS 27 -11.695 12.636 12.636
197 3HZ LYS 27 HZ1 LYS 27 -10.990 11.731 11.731
198 H GLU 28 HN GLU 28 -14.902 7.527 7.527
199 HA GLU 28 HA GLU 28 -14.640 4.772 4.772
200 1HB GLU 28 HB2 GLU 28 -15.899 5.446 5.446
201 2HB GLU 28 HB3 GLU 28 -16.936 6.498 6.498
202 1HG GLU 28 HG2 GLU 28 -17.441 4.187 4.187
203 2HG GLU 28 HG3 GLU 28 -16.971 3.496 3.496
204 H VAL 29 HN VAL 29 -14.373 4.493 4.493
205 HA VAL 29 HA VAL 29 -16.596 5.452 5.452
206 HB VAL 29 HB VAL 29 -15.085 5.060 5.060
207 1HG1 VAL 29 HG13 VAL 29 -15.055 7.163 7.163
208 2HG1 VAL 29 HG11 VAL 29 -13.361 6.644 6.644
209 3HG1 VAL 29 HG12 VAL 29 -14.012 7.054 7.054
210 1HG2 VAL 29 HG21 VAL 29 -13.657 3.467 3.467
211 2HG2 VAL 29 HG22 VAL 29 -13.322 3.706 3.706
212 3HG2 VAL 29 HG23 VAL 29 -12.579 4.783 4.783
213 H ASP 30 HN ASP 30 -18.113 4.030 4.030
214 HA ASP 30 HA ASP 30 -18.018 1.395 1.395
215 1HB ASP 30 HB2 ASP 30 -19.772 3.056 3.056
216 2HB ASP 30 HB3 ASP 30 -19.902 1.320 1.320
217 H SER 31 HN SER 31 -18.195 -0.568 -0.568
218 HA SER 31 HA SER 31 -16.957 -0.128 -0.128
219 1HB SER 31 HB2 SER 31 -14.949 -0.502 -0.502
220 2HB SER 31 HB3 SER 31 -15.685 -1.686 -1.686
221 HG SER 31 HG SER 31 -15.874 -3.123 -3.123
222 H GLY 32 HN GLY 32 -19.565 -1.090 -1.090
223 1HA GLY 32 HA1 GLY 32 -21.198 -2.502 -2.502
224 2HA GLY 32 HA2 GLY 32 -20.072 -3.266 -3.266
225 H ASN 33 HN ASN 33 -21.677 -5.031 -5.031
226 HA ASN 33 HA ASN 33 -20.596 -5.854 -5.854
227 1HB ASN 33 HB2 ASN 33 -22.462 -7.500 -7.500
228 2HB ASN 33 HB3 ASN 33 -22.346 -7.512 -7.512
229 1HD2 ASN 33 HD22 ASN 33 -25.204 -5.402 -5.402
230 2HD2 ASN 33 HD21 ASN 33 -24.444 -6.853 -6.853
231 H ASP 34 HN ASP 34 -19.857 -8.250 -8.250
232 HA ASP 34 HA ASP 34 -18.045 -8.796 -8.796
233 1HB ASP 34 HB2 ASP 34 -17.620 -8.836 -8.836
234 2HB ASP 34 HB3 ASP 34 -18.239 -10.470 -10.470
235 H ILE 35 HN ILE 35 -17.775 -11.664 -11.664
236 HA ILE 35 HA ILE 35 -20.077 -12.579 -12.579
237 HB ILE 35 HB ILE 35 -17.609 -14.019 -14.019
238 1HG1 ILE 35 HG12 ILE 35 -17.016 -13.870 -13.870
239 2HG1 ILE 35 HG13 ILE 35 -18.274 -12.657 -12.657
240 1HG2 ILE 35 HG23 ILE 35 -20.064 -14.971 -14.971
241 2HG2 ILE 35 HG21 ILE 35 -18.606 -15.382 -15.382
242 3HG2 ILE 35 HG22 ILE 35 -18.740 -15.876 -15.876
243 1HD1 ILE 35 HD12 ILE 35 -16.213 -12.368 -12.368
244 2HD1 ILE 35 HD13 ILE 35 -15.780 -11.928 -11.928
245 3HD1 ILE 35 HD11 ILE 35 -17.132 -11.105 -11.105
246 H TYR 36 HN TYR 36 -19.636 -11.844 -11.844
247 HA TYR 36 HA TYR 36 -21.147 -14.184 -14.184
248 1HB TYR 36 HB2 TYR 36 -18.827 -13.073 -13.073
249 2HB TYR 36 HB3 TYR 36 -19.944 -11.981 -11.981
250 HD1 TYR 36 HD1 TYR 36 -19.123 -15.607 -15.607
251 HD2 TYR 36 HD2 TYR 36 -20.972 -12.590 -12.590
252 HE1 TYR 36 HE1 TYR 36 -19.438 -17.289 -17.289
253 HE2 TYR 36 HE2 TYR 36 -21.280 -14.283 -14.283
254 HH TYR 36 HH TYR 36 -20.400 -16.305 -16.305
255 H GLY 37 HN GLY 37 -21.646 -11.112 -11.112
256 1HA GLY 37 HA1 GLY 37 -23.665 -10.021 -10.021
257 2HA GLY 37 HA2 GLY 37 -24.238 -10.937 -10.937
258 H ASN 38 HN ASN 38 -21.254 -10.097 -10.097
259 HA ASN 38 HA ASN 38 -22.309 -7.992 -7.992
260 1HB ASN 38 HB2 ASN 38 -19.852 -7.960 -7.960
261 2HB ASN 38 HB3 ASN 38 -20.767 -9.432 -9.432
262 1HD2 ASN 38 HD22 ASN 38 -17.444 -10.405 -10.405
263 2HD2 ASN 38 HD21 ASN 38 -18.115 -9.594 -9.594
264 HA PRO 39 HA PRO 39 -20.656 -4.710 -4.710
265 1HB PRO 39 HB2 PRO 39 -20.299 -2.749 -2.749
266 2HB PRO 39 HB3 PRO 39 -21.857 -3.128 -3.128
267 1HG PRO 39 HG2 PRO 39 -20.833 -3.785 -3.785
268 2HG PRO 39 HG3 PRO 39 -22.490 -3.770 -3.770
269 1HD PRO 39 HD2 PRO 39 -20.847 -6.080 -6.080
270 2HD PRO 39 HD3 PRO 39 -22.462 -6.057 -6.057
271 H ILE 40 HN ILE 40 -18.799 -4.283 -4.283
272 HA ILE 40 HA ILE 40 -16.449 -5.317 -5.317
273 HB ILE 40 HB ILE 40 -17.038 -3.568 -3.568
274 1HG1 ILE 40 HG12 ILE 40 -16.301 -6.484 -6.484
275 2HG1 ILE 40 HG13 ILE 40 -17.822 -5.831 -5.831
276 1HG2 ILE 40 HG23 ILE 40 -14.795 -3.001 -3.001
277 2HG2 ILE 40 HG21 ILE 40 -14.336 -4.717 -4.717
278 3HG2 ILE 40 HG22 ILE 40 -14.740 -3.794 -3.794
279 1HD1 ILE 40 HD11 ILE 40 -15.134 -5.454 -5.454
280 2HD1 ILE 40 HD12 ILE 40 -16.378 -6.637 -6.637
281 3HD1 ILE 40 HD13 ILE 40 -16.716 -4.895 -4.895
282 H LYS 41 HN LYS 41 -16.781 -1.886 -1.886
283 HA LYS 41 HA LYS 41 -16.257 0.020 0.020
284 1HB LYS 41 HB2 LYS 41 -17.650 -0.707 -0.707
285 2HB LYS 41 HB3 LYS 41 -16.299 -1.575 -1.575
286 1HG LYS 41 HG2 LYS 41 -16.344 0.515 0.515
287 2HG LYS 41 HG3 LYS 41 -15.023 0.666 0.666
288 1HD LYS 41 HD2 LYS 41 -16.252 2.703 2.703
289 2HD LYS 41 HD3 LYS 41 -16.706 1.756 1.756
290 1HE LYS 41 HE2 LYS 41 -18.712 0.907 0.907
291 2HE LYS 41 HE3 LYS 41 -18.317 2.193 2.193
292 1HZ LYS 41 HZ3 LYS 41 -18.394 3.116 3.116
293 2HZ LYS 41 HZ1 LYS 41 -19.815 2.439 2.439
294 3HZ LYS 41 HZ2 LYS 41 -19.195 3.673 3.673
295 H ARG 42 HN ARG 42 -14.328 1.013 1.013
296 HA ARG 42 HA ARG 42 -12.004 -0.451 -0.451
297 1HB ARG 42 HB2 ARG 42 -11.057 0.976 0.976
298 2HB ARG 42 HB3 ARG 42 -11.415 -0.739 -0.739
299 1HG ARG 42 HG2 ARG 42 -13.843 -0.121 -0.121
300 2HG ARG 42 HG3 ARG 42 -13.282 1.518 1.518
301 1HD ARG 42 HD2 ARG 42 -11.459 0.327 0.327
302 2HD ARG 42 HD3 ARG 42 -12.630 -0.977 -0.977
303 HE ARG 42 HE ARG 42 -14.067 0.352 0.352
304 1HH1 ARG 42 HH21 ARG 42 -11.935 3.751 3.751
305 2HH1 ARG 42 HH22 ARG 42 -11.521 2.359 2.359
306 1HH2 ARG 42 HH12 ARG 42 -14.612 2.189 2.189
307 2HH2 ARG 42 HH11 ARG 42 -13.705 3.654 3.654
308 H ILE 43 HN ILE 43 -12.683 1.212 1.212
309 HA ILE 43 HA ILE 43 -12.664 3.858 3.858
310 HB ILE 43 HB ILE 43 -11.888 1.853 1.853
311 1HG1 ILE 43 HG12 ILE 43 -12.984 3.625 3.625
312 2HG1 ILE 43 HG13 ILE 43 -13.315 4.513 4.513
313 1HG2 ILE 43 HG21 ILE 43 -10.441 4.507 4.507
314 2HG2 ILE 43 HG22 ILE 43 -10.692 3.483 3.483
315 3HG2 ILE 43 HG23 ILE 43 -9.748 2.869 2.869
316 1HD1 ILE 43 HD12 ILE 43 -14.040 1.735 1.735
317 2HD1 ILE 43 HD13 ILE 43 -14.801 2.337 2.337
318 3HD1 ILE 43 HD11 ILE 43 -15.082 3.177 3.177
319 H GLN 44 HN GLN 44 -11.239 5.600 5.600
320 HA GLN 44 HA GLN 44 -8.877 4.913 4.913
321 1HB GLN 44 HB2 GLN 44 -10.220 7.564 7.564
322 2HB GLN 44 HB3 GLN 44 -8.721 7.463 7.463
323 1HG GLN 44 HG2 GLN 44 -11.466 6.436 6.436
324 2HG GLN 44 HG3 GLN 44 -10.429 7.548 7.548
325 1HE2 GLN 44 HE22 GLN 44 -9.865 3.459 3.459
326 2HE2 GLN 44 HE21 GLN 44 -10.831 4.218 4.218
327 H TYR 45 HN TYR 45 -6.960 6.728 6.728
328 HA TYR 45 HA TYR 45 -6.566 6.681 6.681
329 1HB TYR 45 HB2 TYR 45 -5.099 5.350 5.350
330 2HB TYR 45 HB3 TYR 45 -4.051 6.214 6.214
331 HD1 TYR 45 HD2 TYR 45 -5.788 5.679 5.679
332 HD2 TYR 45 HD1 TYR 45 -4.310 3.143 3.143
333 HE1 TYR 45 HE2 TYR 45 -5.833 3.692 3.692
334 HE2 TYR 45 HE1 TYR 45 -4.360 1.166 1.166
335 HH TYR 45 HH TYR 45 -5.019 1.613 1.613
336 H GLU 46 HN GLU 46 -7.341 9.001 9.001
337 HA GLU 46 HA GLU 46 -5.660 10.614 10.614
338 1HB GLU 46 HB2 GLU 46 -8.114 10.954 10.954
339 2HB GLU 46 HB3 GLU 46 -7.247 11.737 11.737
340 1HG GLU 46 HG2 GLU 46 -6.250 13.356 13.356
341 2HG GLU 46 HG3 GLU 46 -6.761 12.459 12.459
342 H ILE 47 HN ILE 47 -3.551 9.686 9.686
343 HA ILE 47 HA ILE 47 -2.795 10.321 10.321
344 HB ILE 47 HB ILE 47 -0.542 9.726 9.726
345 1HG1 ILE 47 HG12 ILE 47 -1.845 9.899 9.899
346 2HG1 ILE 47 HG13 ILE 47 -0.305 10.540 10.540
347 1HG2 ILE 47 HG21 ILE 47 -2.873 8.083 8.083
348 2HG2 ILE 47 HG22 ILE 47 -1.791 7.483 7.483
349 3HG2 ILE 47 HG23 ILE 47 -1.189 7.654 7.654
350 1HD1 ILE 47 HD11 ILE 47 -0.025 7.780 7.780
351 2HD1 ILE 47 HD12 ILE 47 -0.934 7.893 7.893
352 3HD1 ILE 47 HD13 ILE 47 0.641 8.707 8.707
353 H LYS 48 HN LYS 48 -0.299 11.578 11.578
354 HA LYS 48 HA LYS 48 -0.992 14.186 14.186
355 1HB LYS 48 HB2 LYS 48 -1.259 13.830 13.830
356 2HB LYS 48 HB3 LYS 48 0.481 14.037 14.037
357 1HG LYS 48 HG2 LYS 48 -0.442 16.081 16.081
358 2HG LYS 48 HG3 LYS 48 -1.637 16.038 16.038
359 1HD LYS 48 HD2 LYS 48 1.332 16.596 16.596
360 2HD LYS 48 HD3 LYS 48 -0.003 17.527 17.527
361 1HE LYS 48 HE2 LYS 48 -0.278 15.026 15.026
362 2HE LYS 48 HE3 LYS 48 1.457 15.268 15.268
363 1HZ LYS 48 HZ1 LYS 48 -0.488 17.203 17.203
364 2HZ LYS 48 HZ2 LYS 48 0.490 16.253 16.253
365 3HZ LYS 48 HZ3 LYS 48 1.129 17.423 17.423
366 H GLN 49 HN GLN 49 0.944 11.527 11.527
367 HA GLN 49 HA GLN 49 2.935 11.099 11.099
368 1HB GLN 49 HB2 GLN 49 2.749 12.040 12.040
369 2HB GLN 49 HB3 GLN 49 2.089 13.535 13.535
370 1HG GLN 49 HG2 GLN 49 4.243 14.028 14.028
371 2HG GLN 49 HG3 GLN 49 4.406 14.233 14.233
372 1HE2 GLN 49 HE22 GLN 49 5.898 10.733 10.733
373 2HE2 GLN 49 HE21 GLN 49 4.384 11.407 11.407
374 H ILE 50 HN ILE 50 4.800 10.925 10.925
375 HA ILE 50 HA ILE 50 5.851 13.388 13.388
376 HB ILE 50 HB ILE 50 5.697 12.628 12.628
377 1HG1 ILE 50 HG12 ILE 50 6.853 10.077 10.077
378 2HG1 ILE 50 HG13 ILE 50 7.603 11.260 11.260
379 1HG2 ILE 50 HG22 ILE 50 3.514 11.801 11.801
380 2HG2 ILE 50 HG23 ILE 50 4.173 10.186 10.186
381 3HG2 ILE 50 HG21 ILE 50 3.859 11.336 11.336
382 1HD1 ILE 50 HD11 ILE 50 5.240 9.494 9.494
383 2HD1 ILE 50 HD12 ILE 50 6.939 9.182 9.182
384 3HD1 ILE 50 HD13 ILE 50 6.111 10.624 10.624
385 H LYS 51 HN LYS 51 6.314 10.219 10.219
386 HA LYS 51 HA LYS 51 8.987 11.036 11.036
387 1HB LYS 51 HB2 LYS 51 8.752 9.522 9.522
388 2HB LYS 51 HB3 LYS 51 8.962 8.285 8.285
389 1HG LYS 51 HG2 LYS 51 11.076 9.118 9.118
390 2HG LYS 51 HG3 LYS 51 10.769 10.716 10.716
391 1HD LYS 51 HD2 LYS 51 10.586 9.208 9.208
392 2HD LYS 51 HD3 LYS 51 11.745 8.258 8.258
393 1HE LYS 51 HE2 LYS 51 12.975 10.530 10.530
394 2HE LYS 51 HE3 LYS 51 11.974 11.169 11.169
395 1HZ LYS 51 HZ3 LYS 51 12.823 9.083 9.083
396 2HZ LYS 51 HZ1 LYS 51 14.042 9.135 9.135
397 3HZ LYS 51 HZ2 LYS 51 13.771 10.409 10.409
398 H MET 52 HN MET 52 9.927 9.378 9.378
399 HA MET 52 HA MET 52 7.851 7.847 7.847
400 1HB MET 52 HB2 MET 52 8.532 10.456 10.456
401 2HB MET 52 HB3 MET 52 9.438 9.409 9.409
402 1HG MET 52 HG2 MET 52 7.521 8.481 8.481
403 2HG MET 52 HG3 MET 52 6.571 8.656 8.656
404 1HE MET 52 HE1 MET 52 8.648 10.799 10.799
405 2HE MET 52 HE2 MET 52 7.841 12.383 12.383
406 3HE MET 52 HE3 MET 52 8.728 11.739 11.739
407 H PHE 53 HN PHE 53 9.618 6.442 6.442
408 HA PHE 53 HA PHE 53 12.159 6.102 6.102
409 1HB PHE 53 HB2 PHE 53 9.837 4.124 4.124
410 2HB PHE 53 HB3 PHE 53 11.475 3.529 3.529
411 HD1 PHE 53 HD2 PHE 53 13.125 5.149 5.149
412 HD2 PHE 53 HD1 PHE 53 9.128 3.922 3.922
413 HE1 PHE 53 HE2 PHE 53 13.492 5.397 5.397
414 HE2 PHE 53 HE1 PHE 53 9.493 4.170 4.170
415 HZ PHE 53 HZ PHE 53 11.671 4.905 4.905
416 H LYS 54 HN LYS 54 9.906 3.821 3.821
417 HA LYS 54 HA LYS 54 11.355 4.403 4.403
418 1HB LYS 54 HB2 LYS 54 12.108 2.278 2.278
419 2HB LYS 54 HB3 LYS 54 10.460 1.721 1.721
420 1HG LYS 54 HG2 LYS 54 11.193 0.737 0.737
421 2HG LYS 54 HG3 LYS 54 10.163 2.070 2.070
422 1HD LYS 54 HD2 LYS 54 12.553 3.385 3.385
423 2HD LYS 54 HD3 LYS 54 13.136 1.775 1.775
424 1HE LYS 54 HE2 LYS 54 11.857 1.660 1.660
425 2HE LYS 54 HE3 LYS 54 10.870 3.037 3.037
426 1HZ LYS 54 HZ3 LYS 54 13.506 3.857 3.857
427 2HZ LYS 54 HZ1 LYS 54 13.303 3.032 3.032
428 3HZ LYS 54 HZ2 LYS 54 12.340 4.307 4.307
429 H GLY 55 HN GLY 55 9.510 6.057 6.057
430 1HA GLY 55 HA1 GLY 55 7.120 4.731 4.731
431 2HA GLY 55 HA2 GLY 55 7.029 6.152 6.152
432 HA PRO 56 HA PRO 56 7.313 7.723 7.723
433 1HB PRO 56 HB2 PRO 56 5.232 9.487 9.487
434 2HB PRO 56 HB3 PRO 56 5.059 7.849 7.849
435 1HG PRO 56 HG2 PRO 56 4.218 8.969 8.969
436 2HG PRO 56 HG3 PRO 56 3.693 7.491 7.491
437 1HD PRO 56 HD2 PRO 56 5.538 7.715 7.715
438 2HD PRO 56 HD3 PRO 56 5.100 6.250 6.250
439 H GLU 57 HN GLU 57 7.128 10.260 10.260
440 HA GLU 57 HA GLU 57 9.125 11.392 11.392
441 1HB GLU 57 HB2 GLU 57 8.225 12.776 12.776
442 2HB GLU 57 HB3 GLU 57 9.833 12.650 12.650
443 1HG GLU 57 HG2 GLU 57 9.756 10.140 10.140
444 2HG GLU 57 HG3 GLU 57 8.285 10.468 10.468
445 H LYS 58 HN LYS 58 5.776 11.885 11.885
446 HA LYS 58 HA LYS 58 5.597 14.498 14.498
447 1HB LYS 58 HB2 LYS 58 4.311 13.379 13.379
448 2HB LYS 58 HB3 LYS 58 3.191 12.904 12.904
449 1HG LYS 58 HG2 LYS 58 2.296 14.985 14.985
450 2HG LYS 58 HG3 LYS 58 3.798 15.614 15.614
451 1HD LYS 58 HD2 LYS 58 3.591 15.036 15.036
452 2HD LYS 58 HD3 LYS 58 2.870 16.500 16.500
453 1HE LYS 58 HE2 LYS 58 5.520 16.223 16.223
454 2HE LYS 58 HE3 LYS 58 5.642 16.001 16.001
455 1HZ LYS 58 HZ2 LYS 58 4.136 18.067 18.067
456 2HZ LYS 58 HZ3 LYS 58 4.685 18.322 18.322
457 3HZ LYS 58 HZ1 LYS 58 5.736 18.250 18.250
458 H ASP 59 HN ASP 59 3.431 11.670 11.670
459 HA ASP 59 HA ASP 59 4.028 10.886 10.886
460 1HB ASP 59 HB2 ASP 59 4.215 13.002 13.002
461 2HB ASP 59 HB3 ASP 59 2.834 13.661 13.661
462 H ILE 60 HN ILE 60 1.918 10.262 10.262
463 HA ILE 60 HA ILE 60 -0.216 9.776 9.776
464 HB ILE 60 HB ILE 60 0.052 8.320 8.320
465 1HG1 ILE 60 HG12 ILE 60 2.320 8.390 8.390
466 2HG1 ILE 60 HG13 ILE 60 1.653 6.795 6.795
467 1HG2 ILE 60 HG22 ILE 60 -1.934 8.040 8.040
468 2HG2 ILE 60 HG23 ILE 60 -0.849 7.399 7.399
469 3HG2 ILE 60 HG21 ILE 60 -1.023 6.538 6.538
470 1HD1 ILE 60 HD13 ILE 60 1.510 8.310 8.310
471 2HD1 ILE 60 HD11 ILE 60 2.626 6.974 6.974
472 3HD1 ILE 60 HD12 ILE 60 0.873 6.674 6.674
473 H GLU 61 HN GLU 61 -0.059 10.016 10.016
474 HA GLU 61 HA GLU 61 -1.134 11.296 11.296
475 1HB GLU 61 HB2 GLU 61 -1.196 12.928 12.928
476 2HB GLU 61 HB3 GLU 61 -2.719 13.107 13.107
477 1HG GLU 61 HG2 GLU 61 -0.962 13.231 13.231
478 2HG GLU 61 HG3 GLU 61 0.029 13.918 13.918
479 H PHE 62 HN PHE 62 -2.520 9.415 9.415
480 HA PHE 62 HA PHE 62 -4.918 9.090 9.090
481 1HB PHE 62 HB2 PHE 62 -4.679 10.388 10.388
482 2HB PHE 62 HB3 PHE 62 -5.789 9.034 9.034
483 HD1 PHE 62 HD1 PHE 62 -7.512 9.018 9.018
484 HD2 PHE 62 HD2 PHE 62 -5.545 12.461 12.461
485 HE1 PHE 62 HE1 PHE 62 -9.315 10.472 10.472
486 HE2 PHE 62 HE2 PHE 62 -7.349 13.915 13.915
487 HZ PHE 62 HZ PHE 62 -9.212 12.903 12.903
488 H ILE 63 HN ILE 63 -4.242 6.987 6.987
489 HA ILE 63 HA ILE 63 -3.691 5.201 5.201
490 HB ILE 63 HB ILE 63 -3.392 4.414 4.414
491 1HG1 ILE 63 HG12 ILE 63 -2.250 6.783 6.783
492 2HG1 ILE 63 HG13 ILE 63 -1.778 5.861 5.861
493 1HG2 ILE 63 HG22 ILE 63 -2.062 3.713 3.713
494 2HG2 ILE 63 HG23 ILE 63 -1.370 3.258 3.258
495 3HG2 ILE 63 HG21 ILE 63 -2.980 2.662 2.662
496 1HD1 ILE 63 HD12 ILE 63 -0.710 5.133 5.133
497 2HD1 ILE 63 HD13 ILE 63 0.055 6.407 6.407
498 3HD1 ILE 63 HD11 ILE 63 -0.028 4.738 4.738
499 H TYR 64 HN TYR 64 -4.596 2.861 2.861
500 HA TYR 64 HA TYR 64 -7.382 3.157 3.157
501 1HB TYR 64 HB2 TYR 64 -7.678 2.768 2.768
502 2HB TYR 64 HB3 TYR 64 -6.023 2.228 2.228
503 HD1 TYR 64 HD2 TYR 64 -5.497 -0.176 -0.176
504 HD2 TYR 64 HD1 TYR 64 -9.400 1.220 1.220
505 HE1 TYR 64 HE2 TYR 64 -6.311 -2.577 -2.577
506 HE2 TYR 64 HE1 TYR 64 -10.200 -1.186 -1.186
507 HH TYR 64 HH TYR 64 -8.794 -3.663 -3.663
508 H THR 65 HN THR 65 -8.351 1.327 1.327
509 HA THR 65 HA THR 65 -6.882 -1.085 -1.085
510 HB THR 65 HB THR 65 -5.599 0.433 0.433
511 HG1 THR 65 HG1 THR 65 -6.230 -1.870 -1.870
512 1HG2 THR 65 HG23 THR 65 -8.397 0.982 0.982
513 2HG2 THR 65 HG21 THR 65 -7.043 0.950 0.950
514 3HG2 THR 65 HG22 THR 65 -7.036 2.112 2.112
515 H ALA 66 HN ALA 66 -8.101 -1.944 -1.944
516 HA ALA 66 HA ALA 66 -10.887 -1.987 -1.987
517 1HB ALA 66 HB3 ALA 66 -9.101 -4.051 -4.051
518 2HB ALA 66 HB1 ALA 66 -10.025 -3.990 -3.990
519 3HB ALA 66 HB2 ALA 66 -10.873 -4.208 -4.208
520 HA PRO 67 HA PRO 67 -12.050 -0.023 -0.023
521 1HB PRO 67 HB2 PRO 67 -14.655 -0.816 -0.816
522 2HB PRO 67 HB3 PRO 67 -14.137 0.470 0.470
523 1HG PRO 67 HG2 PRO 67 -14.937 -2.295 -2.295
524 2HG PRO 67 HG3 PRO 67 -14.832 -0.895 -0.895
525 1HD PRO 67 HD2 PRO 67 -12.961 -3.063 -3.063
526 2HD PRO 67 HD3 PRO 67 -12.798 -1.610 -1.610
527 H SER 68 HN SER 68 -13.945 -0.829 -0.829
528 HA SER 68 HA SER 68 -14.041 -1.958 -1.958
529 1HB SER 68 HB2 SER 68 -13.598 -3.955 -3.955
530 2HB SER 68 HB3 SER 68 -12.613 -4.409 -4.409
531 HG SER 68 HG SER 68 -14.372 -4.920 -4.920
532 H SER 69 HN SER 69 -12.163 -3.929 -3.929
533 HA SER 69 HA SER 69 -10.176 -2.056 -2.056
534 1HB SER 69 HB2 SER 69 -9.490 -3.912 -3.912
535 2HB SER 69 HB3 SER 69 -11.176 -3.456 -3.456
536 HG SER 69 HG SER 69 -10.339 -5.889 -5.889
537 H ALA 70 HN ALA 70 -10.199 -3.135 -3.135
538 HA ALA 70 HA ALA 70 -8.446 -3.366 -3.366
539 1HB ALA 70 HB1 ALA 70 -6.998 -2.982 -2.982
540 2HB ALA 70 HB2 ALA 70 -6.696 -4.726 -4.726
541 3HB ALA 70 HB3 ALA 70 -6.262 -3.601 -3.601
542 H VAL 71 HN VAL 71 -9.676 -4.844 -4.844
543 HA VAL 71 HA VAL 71 -9.573 -7.622 -7.622
544 HB VAL 71 HB VAL 71 -11.569 -7.949 -7.949
545 1HG1 VAL 71 HG12 VAL 71 -11.859 -6.103 -6.103
546 2HG1 VAL 71 HG13 VAL 71 -11.657 -4.928 -4.928
547 3HG1 VAL 71 HG11 VAL 71 -13.049 -6.036 -6.036
548 1HG2 VAL 71 HG23 VAL 71 -10.719 -7.470 -7.470
549 2HG2 VAL 71 HG21 VAL 71 -12.370 -6.854 -6.854
550 3HG2 VAL 71 HG22 VAL 71 -10.989 -5.733 -5.733
551 H CYS 72 HN CYS 72 -8.750 -5.391 -5.391
552 HA CYS 72 HA CYS 72 -7.077 -7.543 -7.543
553 1HB CYS 72 HB2 CYS 72 -9.310 -6.300 -6.300
554 2HB CYS 72 HB3 CYS 72 -7.841 -5.855 -5.855
555 H GLY 73 HN GLY 73 -6.722 -5.165 -5.165
556 1HA GLY 73 HA1 GLY 73 -4.382 -4.067 -4.067
557 2HA GLY 73 HA2 GLY 73 -5.658 -2.908 -2.908
558 H VAL 74 HN VAL 74 -4.184 -1.813 -1.813
559 HA VAL 74 HA VAL 74 -3.930 -3.275 -3.275
560 HB VAL 74 HB VAL 74 -2.170 -1.148 -1.148
561 1HG1 VAL 74 HG13 VAL 74 -2.088 -2.422 -2.422
562 2HG1 VAL 74 HG11 VAL 74 -0.728 -1.530 -1.530
563 3HG1 VAL 74 HG12 VAL 74 -2.268 -0.697 -0.697
564 1HG2 VAL 74 HG23 VAL 74 -2.121 -3.757 -3.757
565 2HG2 VAL 74 HG21 VAL 74 -0.642 -2.774 -2.774
566 3HG2 VAL 74 HG22 VAL 74 -1.136 -3.806 -3.806
567 H SER 75 HN SER 75 -5.799 -1.078 -1.078
568 HA SER 75 HA SER 75 -6.815 0.824 0.824
569 1HB SER 75 HB2 SER 75 -8.505 0.442 0.442
570 2HB SER 75 HB3 SER 75 -8.151 -1.114 -1.114
571 HG SER 75 HG SER 75 -7.240 -0.107 -0.107
572 H LEU 76 HN LEU 76 -4.925 2.239 2.239
573 HA LEU 76 HA LEU 76 -4.190 2.669 2.669
574 1HB LEU 76 HB2 LEU 76 -2.710 4.066 4.066
575 2HB LEU 76 HB3 LEU 76 -2.135 3.262 3.262
576 HG LEU 76 HG LEU 76 -2.978 1.129 1.129
577 1HD1 LEU 76 HD13 LEU 76 -2.972 3.223 3.223
578 2HD1 LEU 76 HD11 LEU 76 -1.406 2.420 2.420
579 3HD1 LEU 76 HD12 LEU 76 -2.918 1.485 1.485
580 1HD2 LEU 76 HD22 LEU 76 -0.568 2.170 2.170
581 2HD2 LEU 76 HD23 LEU 76 -0.919 0.505 0.505
582 3HD2 LEU 76 HD21 LEU 76 -0.231 1.674 1.674
583 H ASP 77 HN ASP 77 -4.734 4.531 4.531
584 HA ASP 77 HA ASP 77 -6.106 6.511 6.511
585 1HB ASP 77 HB2 ASP 77 -7.066 7.052 7.052
586 2HB ASP 77 HB3 ASP 77 -7.836 5.905 5.905
587 H VAL 78 HN VAL 78 -3.346 5.766 5.766
588 HA VAL 78 HA VAL 78 -1.641 6.982 6.982
589 HB VAL 78 HB VAL 78 -3.251 9.113 9.113
590 1HG1 VAL 78 HG11 VAL 78 -0.892 9.538 9.538
591 2HG1 VAL 78 HG12 VAL 78 -1.205 10.629 10.629
592 3HG1 VAL 78 HG13 VAL 78 -2.426 10.438 10.438
593 1HG2 VAL 78 HG21 VAL 78 -1.706 7.371 7.371
594 2HG2 VAL 78 HG22 VAL 78 -1.561 9.081 9.081
595 3HG2 VAL 78 HG23 VAL 78 -0.372 8.362 8.362
596 H GLY 79 HN GLY 79 -4.843 7.200 7.200
597 1HA GLY 79 HA1 GLY 79 -4.325 8.965 8.965
598 2HA GLY 79 HA2 GLY 79 -5.802 8.095 8.095
599 H GLY 80 HN GLY 80 -3.544 5.735 5.735
600 1HA GLY 80 HA1 GLY 80 -3.369 5.068 5.068
601 2HA GLY 80 HA2 GLY 80 -4.015 3.923 3.923
602 H LYS 81 HN LYS 81 -2.169 4.819 4.819
603 HA LYS 81 HA LYS 81 0.154 3.335 3.335
604 1HB LYS 81 HB2 LYS 81 0.422 3.735 3.735
605 2HB LYS 81 HB3 LYS 81 -0.151 2.285 2.285
606 1HG LYS 81 HG2 LYS 81 -1.982 4.613 4.613
607 2HG LYS 81 HG3 LYS 81 -1.709 3.239 3.239
608 1HD LYS 81 HD2 LYS 81 -3.050 1.861 1.861
609 2HD LYS 81 HD3 LYS 81 -2.394 2.436 2.436
610 1HE LYS 81 HE2 LYS 81 -4.118 3.897 3.897
611 2HE LYS 81 HE3 LYS 81 -3.984 4.525 4.525
612 1HZ LYS 81 HZ3 LYS 81 -5.070 1.867 1.867
613 2HZ LYS 81 HZ1 LYS 81 -6.011 3.076 3.076
614 3HZ LYS 81 HZ2 LYS 81 -5.515 3.088 3.088
615 H LYS 82 HN LYS 82 0.431 5.496 5.496
616 HA LYS 82 HA LYS 82 1.131 7.868 7.868
617 1HB LYS 82 HB2 LYS 82 3.690 7.617 7.617
618 2HB LYS 82 HB3 LYS 82 2.696 7.130 7.130
619 1HG LYS 82 HG2 LYS 82 2.878 4.836 4.836
620 2HG LYS 82 HG3 LYS 82 4.494 5.510 5.510
621 1HD LYS 82 HD2 LYS 82 4.791 4.730 4.730
622 2HD LYS 82 HD3 LYS 82 3.378 5.602 5.602
623 1HE LYS 82 HE2 LYS 82 1.995 3.752 3.752
624 2HE LYS 82 HE3 LYS 82 2.798 3.133 3.133
625 1HZ LYS 82 HZ3 LYS 82 4.718 2.746 2.746
626 2HZ LYS 82 HZ1 LYS 82 3.544 2.802 2.802
627 3HZ LYS 82 HZ2 LYS 82 3.475 1.687 1.687
628 H GLU 83 HN GLU 83 3.040 5.436 5.436
629 HA GLU 83 HA GLU 83 2.176 6.645 6.645
630 1HB GLU 83 HB2 GLU 83 4.990 6.857 6.857
631 2HB GLU 83 HB3 GLU 83 3.820 8.161 8.161
632 1HG GLU 83 HG2 GLU 83 5.539 8.567 8.567
633 2HG GLU 83 HG3 GLU 83 3.986 8.302 8.302
634 H TYR 84 HN TYR 84 3.279 5.526 5.526
635 HA TYR 84 HA TYR 84 4.560 3.015 3.015
636 1HB TYR 84 HB2 TYR 84 2.757 1.827 1.827
637 2HB TYR 84 HB3 TYR 84 2.121 2.520 2.520
638 HD1 TYR 84 HD2 TYR 84 2.723 3.622 3.622
639 HD2 TYR 84 HD1 TYR 84 0.088 3.610 3.610
640 HE1 TYR 84 HE2 TYR 84 0.988 4.908 4.908
641 HE2 TYR 84 HE1 TYR 84 -1.638 4.895 4.895
642 HH TYR 84 HH TYR 84 -2.043 5.019 5.019
643 H LEU 85 HN LEU 85 5.612 2.016 2.016
644 HA LEU 85 HA LEU 85 6.298 3.959 3.959
645 1HB LEU 85 HB2 LEU 85 7.934 2.245 2.245
646 2HB LEU 85 HB3 LEU 85 8.085 2.759 2.759
647 HG LEU 85 HG LEU 85 8.297 0.235 0.235
648 1HD1 LEU 85 HD12 LEU 85 7.378 1.627 1.627
649 2HD1 LEU 85 HD13 LEU 85 6.722 -0.026 -0.026
650 3HD1 LEU 85 HD11 LEU 85 8.480 0.238 0.238
651 1HD2 LEU 85 HD22 LEU 85 6.180 0.100 0.100
652 2HD2 LEU 85 HD23 LEU 85 6.220 -1.029 -1.029
653 3HD2 LEU 85 HD21 LEU 85 5.287 0.482 0.482
654 H ILE 86 HN ILE 86 3.657 2.064 2.064
655 HA ILE 86 HA ILE 86 2.637 0.545 0.545
656 HB ILE 86 HB ILE 86 2.105 3.375 3.375
657 1HG1 ILE 86 HG12 ILE 86 -0.149 2.674 2.674
658 2HG1 ILE 86 HG13 ILE 86 0.165 1.089 1.089
659 1HG2 ILE 86 HG23 ILE 86 1.795 1.855 1.855
660 2HG2 ILE 86 HG21 ILE 86 0.548 3.036 3.036
661 3HG2 ILE 86 HG22 ILE 86 2.240 3.555 3.555
662 1HD1 ILE 86 HD11 ILE 86 1.980 1.598 1.598
663 2HD1 ILE 86 HD12 ILE 86 0.287 1.827 1.827
664 3HD1 ILE 86 HD13 ILE 86 0.804 0.279 0.279
665 H ALA 87 HN ALA 87 3.875 -0.835 -0.835
666 HA ALA 87 HA ALA 87 4.810 0.286 0.286
667 1HB ALA 87 HB1 ALA 87 6.209 -1.338 -1.338
668 2HB ALA 87 HB2 ALA 87 6.491 -1.803 -1.803
669 3HB ALA 87 HB3 ALA 87 6.860 -0.148 -0.148
670 H GLY 88 HN GLY 88 3.327 -0.421 -0.421
671 1HA GLY 88 HA1 GLY 88 2.782 -3.315 -3.315
672 2HA GLY 88 HA2 GLY 88 1.451 -2.175 -2.175
673 H LYS 89 HN LYS 89 1.483 -3.774 -3.774
674 HA LYS 89 HA LYS 89 3.156 -3.261 -3.261
675 1HB LYS 89 HB2 LYS 89 1.365 -4.104 -4.104
676 2HB LYS 89 HB3 LYS 89 1.498 -5.057 -5.057
677 1HG LYS 89 HG2 LYS 89 -0.316 -2.985 -2.985
678 2HG LYS 89 HG3 LYS 89 -0.757 -3.448 -3.448
679 1HD LYS 89 HD2 LYS 89 -1.386 -5.601 -5.601
680 2HD LYS 89 HD3 LYS 89 -0.208 -5.694 -5.694
681 1HE LYS 89 HE2 LYS 89 -1.916 -5.276 -5.276
682 2HE LYS 89 HE3 LYS 89 -1.910 -3.628 -3.628
683 1HZ LYS 89 HZ2 LYS 89 -3.282 -5.204 -5.204
684 2HZ LYS 89 HZ3 LYS 89 -3.870 -5.549 -5.549
685 3HZ LYS 89 HZ1 LYS 89 -3.872 -4.008 -4.008
686 H ALA 90 HN ALA 90 0.604 -1.238 -1.238
687 HA ALA 90 HA ALA 90 0.280 0.957 0.957
688 1HB ALA 90 HB1 ALA 90 2.760 0.864 0.864
689 2HB ALA 90 HB2 ALA 90 1.994 1.055 1.055
690 3HB ALA 90 HB3 ALA 90 1.751 2.291 2.291
691 H GLU 91 HN GLU 91 -0.553 2.499 2.499
692 HA GLU 91 HA GLU 91 -2.081 0.767 0.767
693 1HB GLU 91 HB2 GLU 91 -3.339 1.709 1.709
694 2HB GLU 91 HB3 GLU 91 -3.366 3.216 3.216
695 1HG GLU 91 HG2 GLU 91 -5.424 1.834 1.834
696 2HG GLU 91 HG3 GLU 91 -4.553 2.170 2.170
697 H GLY 92 HN GLY 92 -0.688 3.976 3.976
698 1HA GLY 92 HA1 GLY 92 0.241 4.496 4.496
699 2HA GLY 92 HA2 GLY 92 -1.356 5.211 5.211
700 H ASP 93 HN ASP 93 -1.031 7.397 7.397
701 HA ASP 93 HA ASP 93 0.879 8.170 8.170
702 1HB ASP 93 HB2 ASP 93 0.060 9.338 9.338
703 2HB ASP 93 HB3 ASP 93 0.368 10.494 10.494
704 H GLY 94 HN GLY 94 0.079 9.433 9.433
705 1HA GLY 94 HA1 GLY 94 -1.353 10.793 10.793
706 2HA GLY 94 HA2 GLY 94 -2.444 10.827 10.827
707 H LYS 95 HN LYS 95 -1.883 7.617 7.617
708 HA LYS 95 HA LYS 95 -3.288 6.883 6.883
709 1HB LYS 95 HB2 LYS 95 -5.421 6.488 6.488
710 2HB LYS 95 HB3 LYS 95 -5.049 7.938 7.938
711 1HG LYS 95 HG2 LYS 95 -4.710 5.095 5.095
712 2HG LYS 95 HG3 LYS 95 -6.092 6.121 6.121
713 1HD LYS 95 HD2 LYS 95 -3.218 6.913 6.913
714 2HD LYS 95 HD3 LYS 95 -4.283 6.118 6.118
715 1HE LYS 95 HE2 LYS 95 -4.802 8.815 8.815
716 2HE LYS 95 HE3 LYS 95 -4.316 8.578 8.578
717 1HZ LYS 95 HZ3 LYS 95 -6.425 7.068 7.068
718 2HZ LYS 95 HZ1 LYS 95 -6.875 8.048 8.048
719 3HZ LYS 95 HZ2 LYS 95 -6.543 8.679 8.679
720 H MET 96 HN MET 96 -3.158 4.633 4.633
721 HA MET 96 HA MET 96 -2.072 3.091 3.091
722 1HB MET 96 HB2 MET 96 -0.748 2.368 2.368
723 2HB MET 96 HB3 MET 96 -0.012 2.847 2.847
724 1HG MET 96 HG2 MET 96 -0.690 5.295 5.295
725 2HG MET 96 HG3 MET 96 -0.894 4.625 4.625
726 1HE MET 96 HE3 MET 96 0.591 3.680 3.680
727 2HE MET 96 HE1 MET 96 2.369 3.705 3.705
728 3HE MET 96 HE2 MET 96 1.469 5.211 5.211
729 H HIS 97 HN HIS 97 -1.452 0.774 0.774
730 HA HIS 97 HA HIS 97 -4.038 0.204 0.204
731 1HB HIS 97 HB2 HIS 97 -2.961 -0.974 -0.974
732 2HB HIS 97 HB3 HIS 97 -3.402 -2.173 -2.173
733 HD1 HIS 97 HD1 HIS 97 -5.268 -2.716 -2.716
734 HD2 HIS 97 HD2 HIS 97 -5.783 0.804 0.804
735 HE1 HIS 97 HE1 HIS 97 -7.697 -2.008 -2.008
736 H ILE 98 HN ILE 98 -3.794 -0.726 -0.726
737 HA ILE 98 HA ILE 98 -1.386 -2.297 -2.297
738 HB ILE 98 HB ILE 98 -0.816 -1.137 -1.137
739 1HG1 ILE 98 HG12 ILE 98 -3.397 0.334 0.334
740 2HG1 ILE 98 HG13 ILE 98 -2.801 -0.452 -0.452
741 1HG2 ILE 98 HG22 ILE 98 -0.308 -0.198 -0.198
742 2HG2 ILE 98 HG23 ILE 98 -1.179 1.207 1.207
743 3HG2 ILE 98 HG21 ILE 98 0.277 0.598 0.598
744 1HD1 ILE 98 HD12 ILE 98 -0.963 1.660 1.660
745 2HD1 ILE 98 HD13 ILE 98 -2.610 2.290 2.290
746 3HD1 ILE 98 HD11 ILE 98 -1.775 1.445 1.445
747 H THR 99 HN THR 99 -1.645 -3.902 -3.902
748 HA THR 99 HA THR 99 -4.227 -4.047 -4.047
749 HB THR 99 HB THR 99 -4.224 -6.555 -6.555
750 HG1 THR 99 HG1 THR 99 -3.201 -6.512 -6.512
751 1HG2 THR 99 HG22 THR 99 -5.597 -4.168 -4.168
752 2HG2 THR 99 HG23 THR 99 -5.006 -4.843 -4.843
753 3HG2 THR 99 HG21 THR 99 -6.041 -5.825 -5.825
754 H LEU 100 HN LEU 100 -4.291 -5.939 -5.939
755 HA LEU 100 HA LEU 100 -2.050 -5.784 -5.784
756 1HB LEU 100 HB2 LEU 100 -3.266 -6.986 -6.986
757 2HB LEU 100 HB3 LEU 100 -4.556 -6.439 -6.439
758 HG LEU 100 HG LEU 100 -3.250 -9.098 -9.098
759 1HD1 LEU 100 HD11 LEU 100 -4.878 -8.373 -8.373
760 2HD1 LEU 100 HD12 LEU 100 -5.425 -9.816 -9.816
761 3HD1 LEU 100 HD13 LEU 100 -3.761 -9.734 -9.734
762 1HD2 LEU 100 HD21 LEU 100 -5.124 -7.740 -7.740
763 2HD2 LEU 100 HD22 LEU 100 -5.013 -9.516 -9.516
764 3HD2 LEU 100 HD23 LEU 100 -6.167 -8.670 -8.670
765 H CYS 101 HN CYS 101 -3.154 -8.369 -8.369
766 HA CYS 101 HA CYS 101 -1.080 -10.123 -10.123
767 1HB CYS 101 HB2 CYS 101 -3.282 -10.396 -10.396
768 2HB CYS 101 HB3 CYS 101 -2.299 -9.888 -9.888
769 H ASP 102 HN ASP 102 -1.243 -7.076 -7.076
770 HA ASP 102 HA ASP 102 1.108 -7.602 -7.602
771 1HB ASP 102 HB2 ASP 102 -0.970 -5.960 -5.960
772 2HB ASP 102 HB3 ASP 102 0.009 -4.828 -4.828
773 H PHE 103 HN PHE 103 2.952 -5.801 -5.801
774 HA PHE 103 HA PHE 103 3.920 -5.899 -5.899
775 1HB PHE 103 HB2 PHE 103 5.457 -5.980 -5.980
776 2HB PHE 103 HB3 PHE 103 4.699 -4.599 -4.599
777 HD1 PHE 103 HD2 PHE 103 5.310 -4.353 -4.353
778 HD2 PHE 103 HD1 PHE 103 6.979 -3.659 -3.659
779 HE1 PHE 103 HE2 PHE 103 7.031 -2.840 -2.840
780 HE2 PHE 103 HE1 PHE 103 8.701 -2.145 -2.145
781 HZ PHE 103 HZ PHE 103 8.706 -1.753 -1.753
782 H ILE 104 HN ILE 104 3.260 -4.592 -4.592
783 HA ILE 104 HA ILE 104 3.291 -1.774 -1.774
784 HB ILE 104 HB ILE 104 0.840 -1.598 -1.598
785 1HG1 ILE 104 HG12 ILE 104 0.682 -4.240 -4.240
786 2HG1 ILE 104 HG13 ILE 104 0.543 -4.062 -4.062
787 1HG2 ILE 104 HG23 ILE 104 2.088 -1.175 -1.175
788 2HG2 ILE 104 HG21 ILE 104 0.791 -2.299 -2.299
789 3HG2 ILE 104 HG22 ILE 104 0.390 -0.773 -0.773
790 1HD1 ILE 104 HD13 ILE 104 -1.346 -2.332 -2.332
791 2HD1 ILE 104 HD11 ILE 104 -1.335 -3.038 -3.038
792 3HD1 ILE 104 HD12 ILE 104 -1.708 -4.060 -4.060
793 H VAL 105 HN VAL 105 3.817 -0.824 -0.824
794 HA VAL 105 HA VAL 105 3.085 -2.134 -2.134
795 HB VAL 105 HB VAL 105 5.801 -1.716 -1.716
796 1HG1 VAL 105 HG11 VAL 105 4.352 -3.498 -3.498
797 2HG1 VAL 105 HG12 VAL 105 4.413 -4.346 -4.346
798 3HG1 VAL 105 HG13 VAL 105 5.903 -4.115 -4.115
799 1HG2 VAL 105 HG23 VAL 105 5.814 -1.692 -1.692
800 2HG2 VAL 105 HG21 VAL 105 7.031 -2.648 -2.648
801 3HG2 VAL 105 HG22 VAL 105 5.614 -3.453 -3.453
802 HA PRO 106 HA PRO 106 3.200 1.984 1.984
803 1HB PRO 106 HB2 PRO 106 3.569 1.758 1.758
804 2HB PRO 106 HB3 PRO 106 2.019 1.510 1.510
805 1HG PRO 106 HG2 PRO 106 3.882 -0.503 -0.503
806 2HG PRO 106 HG3 PRO 106 2.182 -0.677 -0.677
807 1HD PRO 106 HD2 PRO 106 4.400 -1.646 -1.646
808 2HD PRO 106 HD3 PRO 106 2.705 -1.718 -1.718
809 H TRP 107 HN TRP 107 5.877 0.322 0.322
810 HA TRP 107 HA TRP 107 7.983 0.991 0.991
811 1HB TRP 107 HB2 TRP 107 6.827 3.279 3.279
812 2HB TRP 107 HB3 TRP 107 7.406 3.696 3.696
813 HD1 TRP 107 HD1 TRP 107 9.212 1.945 1.945
814 HE1 TRP 107 HE1 TRP 107 11.543 3.094 3.094
815 HE3 TRP 107 HE3 TRP 107 8.797 5.457 5.457
816 HZ2 TRP 107 HZ2 TRP 107 12.921 5.293 5.293
817 HZ3 TRP 107 HZ3 TRP 107 10.679 7.067 7.067
818 HH2 TRP 107 HH2 TRP 107 12.689 7.024 7.024
819 H ASP 108 HN ASP 108 6.593 2.530 2.530
820 HA ASP 108 HA ASP 108 8.882 1.995 1.995
821 1HB ASP 108 HB2 ASP 108 6.982 3.696 3.696
822 2HB ASP 108 HB3 ASP 108 6.050 2.353 2.353
823 H THR 109 HN THR 109 8.466 -0.431 -0.431
824 HA THR 109 HA THR 109 7.933 -2.162 -2.162
825 HB THR 109 HB THR 109 6.150 -3.438 -3.438
826 HG1 THR 109 HG1 THR 109 6.239 -2.429 -2.429
827 1HG2 THR 109 HG22 THR 109 5.591 -1.823 -1.823
828 2HG2 THR 109 HG23 THR 109 5.319 -0.582 -0.582
829 3HG2 THR 109 HG21 THR 109 4.309 -2.047 -2.047
830 H LEU 110 HN LEU 110 8.171 -2.110 -2.110
831 HA LEU 110 HA LEU 110 9.103 -3.950 -3.950
832 1HB LEU 110 HB2 LEU 110 11.341 -2.132 -2.132
833 2HB LEU 110 HB3 LEU 110 11.352 -3.160 -3.160
834 HG LEU 110 HG LEU 110 9.417 -0.869 -0.869
835 1HD1 LEU 110 HD13 LEU 110 11.957 -0.351 -0.351
836 2HD1 LEU 110 HD11 LEU 110 11.697 -0.793 -0.793
837 3HD1 LEU 110 HD12 LEU 110 10.771 0.544 0.544
838 1HD2 LEU 110 HD21 LEU 110 9.201 -3.033 -3.033
839 2HD2 LEU 110 HD22 LEU 110 8.372 -1.467 -1.467
840 3HD2 LEU 110 HD23 LEU 110 9.902 -1.760 -1.760
841 H SER 111 HN SER 111 12.122 -3.591 -3.591
842 HA SER 111 HA SER 111 12.270 -5.023 -5.023
843 1HB SER 111 HB2 SER 111 11.289 -6.901 -6.901
844 2HB SER 111 HB3 SER 111 12.462 -7.526 -7.526
845 HG SER 111 HG SER 111 9.903 -6.325 -6.325
846 H THR 112 HN THR 112 13.223 -5.304 -5.304
847 HA THR 112 HA THR 112 15.713 -4.404 -4.404
848 HB THR 112 HB THR 112 15.548 -7.040 -7.040
849 HG1 THR 112 HG1 THR 112 17.380 -5.948 -5.948
850 1HG2 THR 112 HG23 THR 112 17.566 -6.426 -6.426
851 2HG2 THR 112 HG21 THR 112 18.091 -7.285 -7.285
852 3HG2 THR 112 HG22 THR 112 16.829 -7.989 -7.989
853 H THR 113 HN THR 113 14.477 -7.685 -7.685
854 HA THR 113 HA THR 113 15.649 -7.715 -7.715
855 HB THR 113 HB THR 113 13.052 -8.936 -8.936
856 HG1 THR 113 HG1 THR 113 15.758 -9.939 -9.939
857 1HG2 THR 113 HG22 THR 113 14.552 -9.282 -9.282
858 2HG2 THR 113 HG23 THR 113 13.899 -10.734 -10.734
859 3HG2 THR 113 HG21 THR 113 12.806 -9.414 -9.414
860 H GLN 114 HN GLN 114 12.902 -5.840 -5.840
861 HA GLN 114 HA GLN 114 12.001 -5.343 -5.343
862 1HB GLN 114 HB2 GLN 114 11.139 -4.544 -4.544
863 2HB GLN 114 HB3 GLN 114 10.615 -3.540 -3.540
864 1HG GLN 114 HG2 GLN 114 8.894 -5.051 -5.051
865 2HG GLN 114 HG3 GLN 114 10.052 -5.997 -5.997
866 1HE2 GLN 114 HE22 GLN 114 10.978 -8.094 -8.094
867 2HE2 GLN 114 HE21 GLN 114 11.714 -7.126 -7.126
868 H LYS 115 HN LYS 115 14.063 -3.825 -3.825
869 HA LYS 115 HA LYS 115 14.142 -1.285 -1.285
870 1HB LYS 115 HB2 LYS 115 15.259 -2.568 -2.568
871 2HB LYS 115 HB3 LYS 115 16.388 -1.472 -1.472
872 1HG LYS 115 HG2 LYS 115 15.058 0.402 0.402
873 2HG LYS 115 HG3 LYS 115 13.560 -0.499 -0.499
874 1HD LYS 115 HD2 LYS 115 15.499 -0.433 -0.433
875 2HD LYS 115 HD3 LYS 115 13.856 0.178 0.178
876 1HE LYS 115 HE2 LYS 115 13.199 -2.312 -2.312
877 2HE LYS 115 HE3 LYS 115 14.793 -2.711 -2.711
878 1HZ LYS 115 HZ3 LYS 115 14.048 -1.276 -1.276
879 2HZ LYS 115 HZ1 LYS 115 12.535 -1.561 -1.561
880 3HZ LYS 115 HZ2 LYS 115 13.498 -2.809 -2.809
881 H LYS 116 HN LYS 116 16.174 -4.260 -4.260
882 HA LYS 116 HA LYS 116 18.240 -3.168 -3.168
883 1HB LYS 116 HB2 LYS 116 19.068 -5.360 -5.360
884 2HB LYS 116 HB3 LYS 116 18.252 -5.282 -5.282
885 1HG LYS 116 HG2 LYS 116 17.101 -7.130 -7.130
886 2HG LYS 116 HG3 LYS 116 16.196 -6.070 -6.070
887 1HD LYS 116 HD2 LYS 116 18.843 -6.963 -6.963
888 2HD LYS 116 HD3 LYS 116 17.657 -8.237 -8.237
889 1HE LYS 116 HE2 LYS 116 16.659 -7.579 -7.579
890 2HE LYS 116 HE3 LYS 116 16.244 -6.053 -6.053
891 1HZ LYS 116 HZ3 LYS 116 18.628 -5.428 -5.428
892 2HZ LYS 116 HZ1 LYS 116 18.583 -6.687 -6.687
893 3HZ LYS 116 HZ2 LYS 116 17.525 -5.455 -5.455
894 H SER 117 HN SER 117 14.968 -4.110 -4.110
895 HA SER 117 HA SER 117 15.618 -4.400 -4.400
896 1HB SER 117 HB2 SER 117 13.661 -5.520 -5.520
897 2HB SER 117 HB3 SER 117 12.760 -4.391 -4.391
898 HG SER 117 HG SER 117 13.710 -5.412 -5.412
899 H LEU 118 HN LEU 118 14.786 -1.964 -1.964
900 HA LEU 118 HA LEU 118 13.174 -0.357 -0.357
901 1HB LEU 118 HB2 LEU 118 14.217 -0.293 -0.293
902 2HB LEU 118 HB3 LEU 118 14.285 1.281 1.281
903 HG LEU 118 HG LEU 118 11.714 -0.070 -0.070
904 1HD1 LEU 118 HD11 LEU 118 12.313 -0.979 -0.979
905 2HD1 LEU 118 HD12 LEU 118 12.447 0.689 0.689
906 3HD1 LEU 118 HD13 LEU 118 10.882 0.078 0.078
907 1HD2 LEU 118 HD23 LEU 118 12.700 2.510 2.510
908 2HD2 LEU 118 HD21 LEU 118 10.985 2.035 2.035
909 3HD2 LEU 118 HD22 LEU 118 11.740 2.469 2.469
910 H ASN 119 HN ASN 119 16.617 -0.940 -0.940
911 HA ASN 119 HA ASN 119 17.219 1.459 1.459
912 1HB ASN 119 HB2 ASN 119 19.361 -0.480 -0.480
913 2HB ASN 119 HB3 ASN 119 19.415 1.271 1.271
914 1HD2 ASN 119 HD22 ASN 119 18.513 -0.713 -0.713
915 2HD2 ASN 119 HD21 ASN 119 19.105 -1.428 -1.428
916 H HIS 120 HN HIS 120 16.018 -1.396 -1.396
917 HA HIS 120 HA HIS 120 18.052 -2.162 -2.162
918 1HB HIS 120 HB2 HIS 120 16.056 -3.546 -3.546
919 2HB HIS 120 HB3 HIS 120 15.709 -3.782 -3.782
920 HD1 HIS 120 HD1 HIS 120 16.626 -6.026 -6.026
921 HD2 HIS 120 HD2 HIS 120 19.270 -3.837 -3.837
922 HE1 HIS 120 HE1 HIS 120 18.742 -7.437 -7.437
923 H ARG 121 HN ARG 121 16.326 0.383 0.383
924 HA ARG 121 HA ARG 121 15.260 1.591 1.591
925 1HB ARG 121 HB2 ARG 121 16.885 -0.236 -0.236
926 2HB ARG 121 HB3 ARG 121 15.525 0.458 0.458
927 1HG ARG 121 HG2 ARG 121 17.541 2.097 2.097
928 2HG ARG 121 HG3 ARG 121 17.646 1.843 1.843
929 1HD ARG 121 HD2 ARG 121 15.099 2.736 2.736
930 2HD ARG 121 HD3 ARG 121 15.655 3.485 3.485
931 HE ARG 121 HE ARG 121 16.876 5.003 5.003
932 1HH1 ARG 121 HH22 ARG 121 16.271 2.130 2.130
933 2HH1 ARG 121 HH21 ARG 121 16.974 2.795 2.795
934 1HH2 ARG 121 HH12 ARG 121 17.804 5.881 5.881
935 2HH2 ARG 121 HH11 ARG 121 17.851 4.944 4.944
936 H TYR 122 HN TYR 122 14.825 -1.395 -1.395
937 HA TYR 122 HA TYR 122 12.141 -1.786 -1.786
938 1HB TYR 122 HB2 TYR 122 11.083 -1.097 -1.097
939 2HB TYR 122 HB3 TYR 122 12.300 0.143 0.143
940 HD1 TYR 122 HD1 TYR 122 14.759 -0.811 -0.811
941 HD2 TYR 122 HD2 TYR 122 10.841 -1.727 -1.727
942 HE1 TYR 122 HE1 TYR 122 15.725 -1.347 -1.347
943 HE2 TYR 122 HE2 TYR 122 11.821 -2.259 -2.259
944 HH TYR 122 HH TYR 122 13.592 -2.263 -2.263
945 H GLN 123 HN GLN 123 12.764 -3.918 -3.918
946 HA GLN 123 HA GLN 123 13.189 -6.020 -6.020
947 1HB GLN 123 HB2 GLN 123 11.191 -6.014 -6.014
948 2HB GLN 123 HB3 GLN 123 12.069 -5.385 -5.385
949 1HG GLN 123 HG2 GLN 123 13.455 -7.752 -7.752
950 2HG GLN 123 HG3 GLN 123 11.748 -8.147 -8.147
951 1HE2 GLN 123 HE22 GLN 123 12.193 -8.960 -8.960
952 2HE2 GLN 123 HE21 GLN 123 12.015 -9.527 -9.527
953 H MET 124 HN MET 124 15.510 -4.816 -4.816
954 HA MET 124 HA MET 124 16.995 -4.938 -4.938
955 1HB MET 124 HB2 MET 124 17.325 -4.087 -4.087
956 2HB MET 124 HB3 MET 124 18.719 -5.038 -5.038
957 1HG MET 124 HG2 MET 124 17.822 -3.038 -3.038
958 2HG MET 124 HG3 MET 124 18.426 -2.350 -2.350
959 1HE MET 124 HE3 MET 124 18.771 -3.919 -3.919
960 2HE MET 124 HE1 MET 124 20.392 -3.318 -3.318
961 3HE MET 124 HE2 MET 124 20.166 -5.022 -5.022
962 H GLY 125 HN GLY 125 15.894 -7.375 -7.375
963 1HA GLY 125 HA1 GLY 125 16.348 -9.569 -9.569
964 2HA GLY 125 HA2 GLY 125 18.047 -9.151 -9.151
965 H CYS 126 HN CYS 126 15.645 -8.393 -8.393
966 HA CYS 126 HA CYS 126 17.286 -9.684 -9.684
967 1HB CYS 126 HB2 CYS 126 16.029 -8.639 -8.639
968 2HB CYS 126 HB3 CYS 126 15.738 -7.583 -7.583
969 H GLU 127 HN GLU 127 15.168 -10.785 -10.785
970 HA GLU 127 HA GLU 127 14.110 -12.642 -12.642
971 1HB GLU 127 HB2 GLU 127 12.362 -12.039 -12.039
972 2HB GLU 127 HB3 GLU 127 13.359 -12.250 -12.250
973 1HG GLU 127 HG2 GLU 127 13.347 -14.680 -14.680
974 2HG GLU 127 HG3 GLU 127 12.587 -14.566 -14.566
Start of MODEL 24
1 H CYS 1 HN CYS 1 -12.029 -10.743 -10.743
2 HA CYS 1 HA CYS 1 -9.981 -12.653 -12.653
3 1HB CYS 1 HB2 CYS 1 -8.433 -10.826 -10.826
4 2HB CYS 1 HB3 CYS 1 -9.836 -10.396 -10.396
5 H SER 2 HN SER 2 -7.912 -12.359 -12.359
6 HA SER 2 HA SER 2 -8.033 -11.633 -11.633
7 1HB SER 2 HB2 SER 2 -8.618 -14.132 -14.132
8 2HB SER 2 HB3 SER 2 -9.753 -12.797 -12.797
9 HG SER 2 HG SER 2 -10.874 -14.379 -14.379
10 H CYS 3 HN CYS 3 -5.954 -11.758 -11.758
11 HA CYS 3 HA CYS 3 -4.614 -14.299 -14.299
12 1HB CYS 3 HB2 CYS 3 -3.056 -12.004 -12.004
13 2HB CYS 3 HB3 CYS 3 -3.286 -13.591 -13.591
14 H SER 4 HN SER 4 -2.187 -14.149 -14.149
15 HA SER 4 HA SER 4 -2.273 -12.660 -12.660
16 1HB SER 4 HB2 SER 4 -0.776 -14.316 -14.316
17 2HB SER 4 HB3 SER 4 -2.058 -15.179 -15.179
18 HG SER 4 HG SER 4 0.068 -16.039 -16.039
19 HA PRO 5 HA PRO 5 0.942 -10.260 -10.260
20 1HB PRO 5 HB2 PRO 5 1.312 -8.532 -8.532
21 2HB PRO 5 HB3 PRO 5 0.075 -8.309 -8.309
22 1HG PRO 5 HG2 PRO 5 -0.223 -9.233 -9.233
23 2HG PRO 5 HG3 PRO 5 -1.447 -8.604 -8.604
24 1HD PRO 5 HD2 PRO 5 -1.027 -11.352 -11.352
25 2HD PRO 5 HD3 PRO 5 -2.173 -10.735 -10.735
26 H VAL 6 HN VAL 6 2.593 -11.715 -11.715
27 HA VAL 6 HA VAL 6 4.349 -11.877 -11.877
28 HB VAL 6 HB VAL 6 3.165 -13.992 -13.992
29 1HG1 VAL 6 HG13 VAL 6 4.029 -13.295 -13.295
30 2HG1 VAL 6 HG11 VAL 6 4.732 -14.867 -14.867
31 3HG1 VAL 6 HG12 VAL 6 2.970 -14.627 -14.627
32 1HG2 VAL 6 HG23 VAL 6 6.076 -13.603 -13.603
33 2HG2 VAL 6 HG21 VAL 6 4.977 -14.661 -14.661
34 3HG2 VAL 6 HG22 VAL 6 5.600 -15.185 -15.185
35 H HIS 7 HN HIS 7 5.998 -13.448 -13.448
36 HA HIS 7 HA HIS 7 7.912 -12.838 -12.838
37 1HB HIS 7 HB2 HIS 7 7.280 -11.187 -11.187
38 2HB HIS 7 HB3 HIS 7 6.888 -12.895 -12.895
39 HD1 HIS 7 HD1 HIS 7 4.512 -13.402 -13.402
40 HD2 HIS 7 HD2 HIS 7 4.945 -9.600 -9.600
41 HE1 HIS 7 HE1 HIS 7 2.191 -12.343 -12.343
42 HA PRO 8 HA PRO 8 8.698 -9.011 -9.011
43 1HB PRO 8 HB2 PRO 8 10.959 -9.839 -9.839
44 2HB PRO 8 HB3 PRO 8 9.357 -9.962 -9.962
45 1HG PRO 8 HG2 PRO 8 11.048 -12.099 -12.099
46 2HG PRO 8 HG3 PRO 8 9.665 -12.246 -12.246
47 1HD PRO 8 HD2 PRO 8 9.717 -12.744 -12.744
48 2HD PRO 8 HD3 PRO 8 8.310 -12.779 -12.779
49 H GLN 9 HN GLN 9 9.887 -10.518 -10.518
50 HA GLN 9 HA GLN 9 11.670 -8.280 -8.280
51 1HB GLN 9 HB2 GLN 9 13.112 -10.159 -10.159
52 2HB GLN 9 HB3 GLN 9 12.414 -11.195 -11.195
53 1HG GLN 9 HG2 GLN 9 13.961 -10.447 -10.447
54 2HG GLN 9 HG3 GLN 9 13.253 -8.847 -8.847
55 1HE2 GLN 9 HE22 GLN 9 15.490 -7.724 -7.724
56 2HE2 GLN 9 HE21 GLN 9 13.801 -7.779 -7.779
57 H GLN 10 HN GLN 10 9.915 -11.153 -11.153
58 HA GLN 10 HA GLN 10 10.124 -10.384 -10.384
59 1HB GLN 10 HB2 GLN 10 7.763 -11.952 -11.952
60 2HB GLN 10 HB3 GLN 10 8.630 -12.161 -12.161
61 1HG GLN 10 HG2 GLN 10 10.695 -12.692 -12.692
62 2HG GLN 10 HG3 GLN 10 9.441 -13.019 -13.019
63 1HE2 GLN 10 HE22 GLN 10 10.461 -16.048 -16.048
64 2HE2 GLN 10 HE21 GLN 10 11.371 -14.784 -14.784
65 H ALA 11 HN ALA 11 8.585 -8.810 -8.810
66 HA ALA 11 HA ALA 11 6.246 -7.972 -7.972
67 1HB ALA 11 HB1 ALA 11 7.291 -7.866 -7.866
68 2HB ALA 11 HB2 ALA 11 6.545 -6.332 -6.332
69 3HB ALA 11 HB3 ALA 11 5.608 -7.843 -7.843
70 H PHE 12 HN PHE 12 9.516 -6.769 -6.769
71 HA PHE 12 HA PHE 12 8.940 -4.207 -4.207
72 1HB PHE 12 HB2 PHE 12 11.412 -5.577 -5.577
73 2HB PHE 12 HB3 PHE 12 11.436 -3.921 -3.921
74 HD1 PHE 12 HD1 PHE 12 8.901 -5.789 -5.789
75 HD2 PHE 12 HD2 PHE 12 11.632 -2.545 -2.545
76 HE1 PHE 12 HE1 PHE 12 8.103 -5.002 -5.002
77 HE2 PHE 12 HE2 PHE 12 10.834 -1.758 -1.758
78 HZ PHE 12 HZ PHE 12 9.079 -2.997 -2.997
79 H CYS 13 HN CYS 13 9.563 -7.244 -7.244
80 HA CYS 13 HA CYS 13 11.275 -6.196 -6.196
81 1HB CYS 13 HB2 CYS 13 10.899 -8.927 -8.927
82 2HB CYS 13 HB3 CYS 13 11.382 -8.778 -8.778
83 H ASN 14 HN ASN 14 8.065 -6.983 -6.983
84 HA ASN 14 HA ASN 14 7.328 -7.689 -7.689
85 1HB ASN 14 HB2 ASN 14 6.353 -8.399 -8.399
86 2HB ASN 14 HB3 ASN 14 5.073 -7.480 -7.480
87 1HD2 ASN 14 HD22 ASN 14 5.934 -11.292 -11.292
88 2HD2 ASN 14 HD21 ASN 14 6.704 -10.437 -10.437
89 H ALA 15 HN ALA 15 6.875 -5.260 -5.260
90 HA ALA 15 HA ALA 15 4.859 -3.740 -3.740
91 1HB ALA 15 HB3 ALA 15 7.255 -2.977 -2.977
92 2HB ALA 15 HB1 ALA 15 5.873 -1.903 -1.903
93 3HB ALA 15 HB2 ALA 15 5.627 -3.430 -3.430
94 H ASP 16 HN ASP 16 5.363 -1.291 -1.291
95 HA ASP 16 HA ASP 16 7.648 -1.129 -1.129
96 1HB ASP 16 HB2 ASP 16 4.882 -1.631 -1.631
97 2HB ASP 16 HB3 ASP 16 5.796 -0.387 -0.387
98 H VAL 17 HN VAL 17 6.025 0.169 0.169
99 HA VAL 17 HA VAL 17 6.518 2.852 2.852
100 HB VAL 17 HB VAL 17 4.413 2.467 2.467
101 1HG1 VAL 17 HG11 VAL 17 3.619 1.265 1.265
102 2HG1 VAL 17 HG12 VAL 17 2.463 2.518 2.518
103 3HG1 VAL 17 HG13 VAL 17 2.849 1.165 1.165
104 1HG2 VAL 17 HG23 VAL 17 5.140 4.638 4.638
105 2HG2 VAL 17 HG21 VAL 17 3.718 4.583 4.583
106 3HG2 VAL 17 HG22 VAL 17 3.527 4.307 4.307
107 H VAL 18 HN VAL 18 7.858 2.362 2.362
108 HA VAL 18 HA VAL 18 6.357 2.006 2.006
109 HB VAL 18 HB VAL 18 9.293 2.329 2.329
110 1HG1 VAL 18 HG11 VAL 18 7.176 0.941 0.941
111 2HG1 VAL 18 HG12 VAL 18 8.589 -0.096 -0.096
112 3HG1 VAL 18 HG13 VAL 18 8.793 1.456 1.456
113 1HG2 VAL 18 HG21 VAL 18 7.951 0.398 0.398
114 2HG2 VAL 18 HG22 VAL 18 9.601 1.062 1.062
115 3HG2 VAL 18 HG23 VAL 18 9.212 -0.280 -0.280
116 H ILE 19 HN ILE 19 5.694 3.725 3.725
117 HA ILE 19 HA ILE 19 7.391 6.079 6.079
118 HB ILE 19 HB ILE 19 5.653 7.602 7.602
119 1HG1 ILE 19 HG12 ILE 19 3.901 5.184 5.184
120 2HG1 ILE 19 HG13 ILE 19 3.630 6.805 6.805
121 1HG2 ILE 19 HG21 ILE 19 7.001 6.690 6.690
122 2HG2 ILE 19 HG22 ILE 19 5.807 5.391 5.391
123 3HG2 ILE 19 HG23 ILE 19 5.350 7.085 7.085
124 1HD1 ILE 19 HD12 ILE 19 3.525 7.568 7.568
125 2HD1 ILE 19 HD13 ILE 19 3.433 5.838 5.838
126 3HD1 ILE 19 HD11 ILE 19 2.165 6.585 6.585
127 H ARG 20 HN ARG 20 7.626 6.724 6.724
128 HA ARG 20 HA ARG 20 6.072 5.414 5.414
129 1HB ARG 20 HB2 ARG 20 8.577 6.165 6.165
130 2HB ARG 20 HB3 ARG 20 7.957 7.760 7.760
131 1HG ARG 20 HG2 ARG 20 6.573 5.831 5.831
132 2HG ARG 20 HG3 ARG 20 8.296 5.526 5.526
133 1HD ARG 20 HD2 ARG 20 6.875 8.180 8.180
134 2HD ARG 20 HD3 ARG 20 7.661 7.163 7.163
135 HE ARG 20 HE ARG 20 9.444 7.999 7.999
136 1HH1 ARG 20 HH22 ARG 20 8.134 8.849 8.849
137 2HH1 ARG 20 HH21 ARG 20 9.445 9.908 9.908
138 1HH2 ARG 20 HH12 ARG 20 11.174 9.396 9.396
139 2HH2 ARG 20 HH11 ARG 20 11.185 10.221 10.221
140 H THR 21 HN THR 21 4.344 6.918 6.918
141 HA THR 21 HA THR 21 3.841 9.517 9.517
142 HB THR 21 HB THR 21 3.053 8.819 8.819
143 HG1 THR 21 HG1 THR 21 0.805 8.734 8.734
144 1HG2 THR 21 HG23 THR 21 2.761 6.315 6.315
145 2HG2 THR 21 HG21 THR 21 1.152 6.842 6.842
146 3HG2 THR 21 HG22 THR 21 1.594 6.973 6.973
147 H LYS 22 HN LYS 22 1.516 10.042 10.042
148 HA LYS 22 HA LYS 22 1.049 8.205 8.205
149 1HB LYS 22 HB2 LYS 22 0.809 10.065 10.065
150 2HB LYS 22 HB3 LYS 22 2.380 10.156 10.156
151 1HG LYS 22 HG2 LYS 22 1.580 11.871 11.871
152 2HG LYS 22 HG3 LYS 22 -0.067 11.690 11.690
153 1HD LYS 22 HD2 LYS 22 2.313 12.834 12.834
154 2HD LYS 22 HD3 LYS 22 0.824 13.652 13.652
155 1HE LYS 22 HE2 LYS 22 -0.405 11.925 11.925
156 2HE LYS 22 HE3 LYS 22 1.172 11.426 11.426
157 1HZ LYS 22 HZ1 LYS 22 0.517 14.256 14.256
158 2HZ LYS 22 HZ2 LYS 22 -0.130 13.287 13.287
159 3HZ LYS 22 HZ3 LYS 22 1.492 13.404 13.404
160 H ALA 23 HN ALA 23 -0.966 7.386 7.386
161 HA ALA 23 HA ALA 23 -2.928 8.821 8.821
162 1HB ALA 23 HB1 ALA 23 -2.489 6.409 6.409
163 2HB ALA 23 HB2 ALA 23 -2.991 6.053 6.053
164 3HB ALA 23 HB3 ALA 23 -4.169 6.707 6.707
165 H VAL 24 HN VAL 24 -3.719 10.520 10.520
166 HA VAL 24 HA VAL 24 -4.628 9.839 9.839
167 HB VAL 24 HB VAL 24 -4.763 12.328 12.328
168 1HG1 VAL 24 HG11 VAL 24 -2.123 10.979 10.979
169 2HG1 VAL 24 HG12 VAL 24 -2.232 12.626 12.626
170 3HG1 VAL 24 HG13 VAL 24 -2.889 11.249 11.249
171 1HG2 VAL 24 HG21 VAL 24 -4.834 12.641 12.641
172 2HG2 VAL 24 HG22 VAL 24 -3.909 13.807 13.807
173 3HG2 VAL 24 HG23 VAL 24 -3.060 12.517 12.517
174 H SER 25 HN SER 25 -5.621 11.047 11.047
175 HA SER 25 HA SER 25 -8.367 10.969 10.969
176 1HB SER 25 HB2 SER 25 -7.961 13.170 13.170
177 2HB SER 25 HB3 SER 25 -7.007 12.610 12.610
178 HG SER 25 HG SER 25 -9.053 11.617 11.617
179 H GLU 26 HN GLU 26 -10.013 10.122 10.122
180 HA GLU 26 HA GLU 26 -8.851 8.447 8.447
181 1HB GLU 26 HB2 GLU 26 -10.360 7.470 7.470
182 2HB GLU 26 HB3 GLU 26 -10.616 6.641 6.641
183 1HG GLU 26 HG2 GLU 26 -8.725 5.464 5.464
184 2HG GLU 26 HG3 GLU 26 -7.828 6.929 6.929
185 H LYS 27 HN LYS 27 -11.106 7.126 7.126
186 HA LYS 27 HA LYS 27 -13.318 8.957 8.957
187 1HB LYS 27 HB2 LYS 27 -11.854 10.023 10.023
188 2HB LYS 27 HB3 LYS 27 -11.595 8.505 8.505
189 1HG LYS 27 HG2 LYS 27 -13.773 8.457 8.457
190 2HG LYS 27 HG3 LYS 27 -14.435 9.459 9.459
191 1HD LYS 27 HD2 LYS 27 -14.082 10.515 10.515
192 2HD LYS 27 HD3 LYS 27 -13.652 11.459 11.459
193 1HE LYS 27 HE2 LYS 27 -11.293 10.948 10.948
194 2HE LYS 27 HE3 LYS 27 -11.623 9.704 9.704
195 1HZ LYS 27 HZ1 LYS 27 -12.776 11.847 11.847
196 2HZ LYS 27 HZ2 LYS 27 -11.499 12.535 12.535
197 3HZ LYS 27 HZ3 LYS 27 -11.261 11.344 11.344
198 H GLU 28 HN GLU 28 -15.130 7.739 7.739
199 HA GLU 28 HA GLU 28 -14.819 4.938 4.938
200 1HB GLU 28 HB2 GLU 28 -16.210 5.736 5.736
201 2HB GLU 28 HB3 GLU 28 -17.229 6.645 6.645
202 1HG GLU 28 HG2 GLU 28 -17.619 4.311 4.311
203 2HG GLU 28 HG3 GLU 28 -17.020 3.636 3.636
204 H VAL 29 HN VAL 29 -14.531 4.429 4.429
205 HA VAL 29 HA VAL 29 -16.505 5.548 5.548
206 HB VAL 29 HB VAL 29 -14.833 4.713 4.713
207 1HG1 VAL 29 HG11 VAL 29 -14.782 7.066 7.066
208 2HG1 VAL 29 HG12 VAL 29 -13.154 6.674 6.674
209 3HG1 VAL 29 HG13 VAL 29 -14.493 6.920 6.920
210 1HG2 VAL 29 HG21 VAL 29 -13.616 3.175 3.175
211 2HG2 VAL 29 HG22 VAL 29 -12.540 4.341 4.341
212 3HG2 VAL 29 HG23 VAL 29 -12.997 4.583 4.583
213 H ASP 30 HN ASP 30 -18.265 4.221 4.221
214 HA ASP 30 HA ASP 30 -18.299 1.606 1.606
215 1HB ASP 30 HB2 ASP 30 -20.039 2.567 2.567
216 2HB ASP 30 HB3 ASP 30 -20.476 1.534 1.534
217 H SER 31 HN SER 31 -18.335 -0.409 -0.409
218 HA SER 31 HA SER 31 -17.337 -0.096 -0.096
219 1HB SER 31 HB2 SER 31 -15.271 -0.621 -0.621
220 2HB SER 31 HB3 SER 31 -15.942 -1.388 -1.388
221 HG SER 31 HG SER 31 -16.055 -2.569 -2.569
222 H GLY 32 HN GLY 32 -19.937 -0.852 -0.852
223 1HA GLY 32 HA1 GLY 32 -21.645 -2.262 -2.262
224 2HA GLY 32 HA2 GLY 32 -20.728 -2.950 -2.950
225 H ASN 33 HN ASN 33 -22.054 -4.875 -4.875
226 HA ASN 33 HA ASN 33 -20.784 -5.881 -5.881
227 1HB ASN 33 HB2 ASN 33 -22.634 -7.492 -7.492
228 2HB ASN 33 HB3 ASN 33 -22.460 -7.592 -7.592
229 1HD2 ASN 33 HD22 ASN 33 -24.757 -5.105 -5.105
230 2HD2 ASN 33 HD21 ASN 33 -23.546 -6.230 -6.230
231 H ASP 34 HN ASP 34 -19.997 -8.308 -8.308
232 HA ASP 34 HA ASP 34 -18.238 -8.508 -8.508
233 1HB ASP 34 HB2 ASP 34 -17.702 -8.829 -8.829
234 2HB ASP 34 HB3 ASP 34 -18.253 -10.464 -10.464
235 H ILE 35 HN ILE 35 -17.843 -11.415 -11.415
236 HA ILE 35 HA ILE 35 -20.165 -12.258 -12.258
237 HB ILE 35 HB ILE 35 -17.601 -13.689 -13.689
238 1HG1 ILE 35 HG12 ILE 35 -17.117 -13.232 -13.232
239 2HG1 ILE 35 HG13 ILE 35 -18.429 -12.072 -12.072
240 1HG2 ILE 35 HG22 ILE 35 -20.019 -14.494 -14.494
241 2HG2 ILE 35 HG23 ILE 35 -18.420 -15.005 -15.005
242 3HG2 ILE 35 HG21 ILE 35 -18.952 -15.458 -15.458
243 1HD1 ILE 35 HD12 ILE 35 -16.298 -11.932 -11.932
244 2HD1 ILE 35 HD13 ILE 35 -15.949 -11.292 -11.292
245 3HD1 ILE 35 HD11 ILE 35 -17.302 -10.627 -10.627
246 H TYR 36 HN TYR 36 -19.605 -11.864 -11.864
247 HA TYR 36 HA TYR 36 -20.992 -14.352 -14.352
248 1HB TYR 36 HB2 TYR 36 -18.659 -13.283 -13.283
249 2HB TYR 36 HB3 TYR 36 -19.763 -12.327 -12.327
250 HD1 TYR 36 HD1 TYR 36 -19.743 -15.945 -15.945
251 HD2 TYR 36 HD2 TYR 36 -19.799 -13.111 -13.111
252 HE1 TYR 36 HE1 TYR 36 -19.916 -17.842 -17.842
253 HE2 TYR 36 HE2 TYR 36 -19.972 -15.018 -15.018
254 HH TYR 36 HH TYR 36 -20.658 -17.258 -17.258
255 H GLY 37 HN GLY 37 -21.639 -11.179 -11.179
256 1HA GLY 37 HA1 GLY 37 -23.699 -10.168 -10.168
257 2HA GLY 37 HA2 GLY 37 -24.159 -11.242 -11.242
258 H ASN 38 HN ASN 38 -21.148 -10.418 -10.418
259 HA ASN 38 HA ASN 38 -22.165 -8.533 -8.533
260 1HB ASN 38 HB2 ASN 38 -19.653 -8.487 -8.487
261 2HB ASN 38 HB3 ASN 38 -20.500 -10.013 -10.013
262 1HD2 ASN 38 HD22 ASN 38 -17.225 -10.675 -10.675
263 2HD2 ASN 38 HD21 ASN 38 -17.817 -10.015 -10.015
264 HA PRO 39 HA PRO 39 -20.794 -4.944 -4.944
265 1HB PRO 39 HB2 PRO 39 -20.372 -3.185 -3.185
266 2HB PRO 39 HB3 PRO 39 -21.963 -3.549 -3.549
267 1HG PRO 39 HG2 PRO 39 -20.729 -4.453 -4.453
268 2HG PRO 39 HG3 PRO 39 -22.422 -4.444 -4.444
269 1HD PRO 39 HD2 PRO 39 -20.675 -6.719 -6.719
270 2HD PRO 39 HD3 PRO 39 -22.334 -6.688 -6.688
271 H ILE 40 HN ILE 40 -19.028 -4.382 -4.382
272 HA ILE 40 HA ILE 40 -16.561 -5.375 -5.375
273 HB ILE 40 HB ILE 40 -17.291 -3.575 -3.575
274 1HG1 ILE 40 HG12 ILE 40 -16.708 -6.542 -6.542
275 2HG1 ILE 40 HG13 ILE 40 -18.241 -5.792 -5.792
276 1HG2 ILE 40 HG23 ILE 40 -14.630 -4.669 -4.669
277 2HG2 ILE 40 HG21 ILE 40 -14.974 -4.356 -4.356
278 3HG2 ILE 40 HG22 ILE 40 -15.058 -3.027 -3.027
279 1HD1 ILE 40 HD12 ILE 40 -16.635 -4.612 -4.612
280 2HD1 ILE 40 HD13 ILE 40 -15.829 -6.189 -6.189
281 3HD1 ILE 40 HD11 ILE 40 -17.547 -6.115 -6.115
282 H LYS 41 HN LYS 41 -17.063 -1.972 -1.972
283 HA LYS 41 HA LYS 41 -16.518 -0.040 -0.040
284 1HB LYS 41 HB2 LYS 41 -17.909 -0.852 -0.852
285 2HB LYS 41 HB3 LYS 41 -16.464 -1.493 -1.493
286 1HG LYS 41 HG2 LYS 41 -17.000 0.753 0.753
287 2HG LYS 41 HG3 LYS 41 -15.454 0.767 0.767
288 1HD LYS 41 HD2 LYS 41 -16.525 2.709 2.709
289 2HD LYS 41 HD3 LYS 41 -16.779 1.540 1.540
290 1HE LYS 41 HE2 LYS 41 -18.807 2.105 2.105
291 2HE LYS 41 HE3 LYS 41 -18.858 2.852 2.852
292 1HZ LYS 41 HZ2 LYS 41 -18.648 0.267 0.267
293 2HZ LYS 41 HZ3 LYS 41 -19.537 0.185 0.185
294 3HZ LYS 41 HZ1 LYS 41 -20.065 1.074 1.074
295 H ARG 42 HN ARG 42 -14.594 0.912 0.912
296 HA ARG 42 HA ARG 42 -12.266 -0.452 -0.452
297 1HB ARG 42 HB2 ARG 42 -11.274 0.748 0.748
298 2HB ARG 42 HB3 ARG 42 -11.712 -0.944 -0.944
299 1HG ARG 42 HG2 ARG 42 -14.073 -0.326 -0.326
300 2HG ARG 42 HG3 ARG 42 -13.523 1.320 1.320
301 1HD ARG 42 HD2 ARG 42 -11.708 0.303 0.303
302 2HD ARG 42 HD3 ARG 42 -12.631 -1.184 -1.184
303 HE ARG 42 HE ARG 42 -14.247 1.173 1.173
304 1HH1 ARG 42 HH22 ARG 42 -12.262 -1.444 -1.444
305 2HH1 ARG 42 HH21 ARG 42 -12.971 -1.391 -1.391
306 1HH2 ARG 42 HH12 ARG 42 -15.183 1.244 1.244
307 2HH2 ARG 42 HH11 ARG 42 -14.643 0.148 0.148
308 H ILE 43 HN ILE 43 -12.781 1.284 1.284
309 HA ILE 43 HA ILE 43 -12.853 3.937 3.937
310 HB ILE 43 HB ILE 43 -12.259 2.122 2.122
311 1HG1 ILE 43 HG12 ILE 43 -12.733 4.377 4.377
312 2HG1 ILE 43 HG13 ILE 43 -13.193 4.951 4.951
313 1HG2 ILE 43 HG21 ILE 43 -9.887 2.811 2.811
314 2HG2 ILE 43 HG22 ILE 43 -10.371 4.489 4.489
315 3HG2 ILE 43 HG23 ILE 43 -10.574 3.233 3.233
316 1HD1 ILE 43 HD11 ILE 43 -14.510 2.602 2.602
317 2HD1 ILE 43 HD12 ILE 43 -14.460 2.820 2.820
318 3HD1 ILE 43 HD13 ILE 43 -15.224 4.056 4.056
319 H GLN 44 HN GLN 44 -11.227 5.685 5.685
320 HA GLN 44 HA GLN 44 -8.993 4.940 4.940
321 1HB GLN 44 HB2 GLN 44 -10.280 7.617 7.617
322 2HB GLN 44 HB3 GLN 44 -8.794 7.492 7.492
323 1HG GLN 44 HG2 GLN 44 -11.567 6.523 6.523
324 2HG GLN 44 HG3 GLN 44 -10.500 7.581 7.581
325 1HE2 GLN 44 HE22 GLN 44 -10.171 3.479 3.479
326 2HE2 GLN 44 HE21 GLN 44 -11.147 4.299 4.299
327 H TYR 45 HN TYR 45 -7.054 6.780 6.780
328 HA TYR 45 HA TYR 45 -6.563 6.691 6.691
329 1HB TYR 45 HB2 TYR 45 -5.179 5.393 5.393
330 2HB TYR 45 HB3 TYR 45 -4.088 6.269 6.269
331 HD1 TYR 45 HD2 TYR 45 -5.529 5.748 5.748
332 HD2 TYR 45 HD1 TYR 45 -4.499 3.164 3.164
333 HE1 TYR 45 HE2 TYR 45 -5.472 3.762 3.762
334 HE2 TYR 45 HE1 TYR 45 -4.446 1.187 1.187
335 HH TYR 45 HH TYR 45 -5.191 1.636 1.636
336 H GLU 46 HN GLU 46 -7.376 9.015 9.015
337 HA GLU 46 HA GLU 46 -5.753 10.666 10.666
338 1HB GLU 46 HB2 GLU 46 -8.181 10.954 10.954
339 2HB GLU 46 HB3 GLU 46 -7.253 11.779 11.779
340 1HG GLU 46 HG2 GLU 46 -6.311 13.331 13.331
341 2HG GLU 46 HG3 GLU 46 -7.047 12.439 12.439
342 H ILE 47 HN ILE 47 -3.627 9.689 9.689
343 HA ILE 47 HA ILE 47 -2.809 10.346 10.346
344 HB ILE 47 HB ILE 47 -0.597 9.676 9.676
345 1HG1 ILE 47 HG12 ILE 47 -1.882 9.911 9.911
346 2HG1 ILE 47 HG13 ILE 47 -0.325 10.499 10.499
347 1HG2 ILE 47 HG21 ILE 47 -2.951 8.098 8.098
348 2HG2 ILE 47 HG22 ILE 47 -1.946 7.491 7.491
349 3HG2 ILE 47 HG23 ILE 47 -1.271 7.600 7.600
350 1HD1 ILE 47 HD11 ILE 47 -0.147 7.720 7.720
351 2HD1 ILE 47 HD12 ILE 47 -1.024 7.894 7.894
352 3HD1 ILE 47 HD13 ILE 47 0.576 8.646 8.646
353 H LYS 48 HN LYS 48 -0.329 11.572 11.572
354 HA LYS 48 HA LYS 48 -1.000 14.174 14.174
355 1HB LYS 48 HB2 LYS 48 -1.183 13.844 13.844
356 2HB LYS 48 HB3 LYS 48 0.561 14.010 14.010
357 1HG LYS 48 HG2 LYS 48 0.448 16.206 16.206
358 2HG LYS 48 HG3 LYS 48 -1.213 16.002 16.002
359 1HD LYS 48 HD2 LYS 48 -0.771 17.442 17.442
360 2HD LYS 48 HD3 LYS 48 -2.081 16.280 16.280
361 1HE LYS 48 HE2 LYS 48 -0.818 14.729 14.729
362 2HE LYS 48 HE3 LYS 48 0.707 15.490 15.490
363 1HZ LYS 48 HZ2 LYS 48 -0.176 17.478 17.478
364 2HZ LYS 48 HZ3 LYS 48 -1.395 16.542 16.542
365 3HZ LYS 48 HZ1 LYS 48 0.150 16.184 16.184
366 H GLN 49 HN GLN 49 0.884 11.482 11.482
367 HA GLN 49 HA GLN 49 2.896 11.021 11.021
368 1HB GLN 49 HB2 GLN 49 2.284 13.552 13.552
369 2HB GLN 49 HB3 GLN 49 3.746 12.634 12.634
370 1HG GLN 49 HG2 GLN 49 1.040 11.253 11.253
371 2HG GLN 49 HG3 GLN 49 1.593 12.095 12.095
372 1HE2 GLN 49 HE22 GLN 49 4.597 9.963 9.963
373 2HE2 GLN 49 HE21 GLN 49 4.224 11.647 11.647
374 H ILE 50 HN ILE 50 4.530 11.028 11.028
375 HA ILE 50 HA ILE 50 5.653 13.655 13.655
376 HB ILE 50 HB ILE 50 5.567 13.150 13.150
377 1HG1 ILE 50 HG12 ILE 50 6.841 10.569 10.569
378 2HG1 ILE 50 HG13 ILE 50 7.493 11.859 11.859
379 1HG2 ILE 50 HG22 ILE 50 3.363 12.228 12.228
380 2HG2 ILE 50 HG23 ILE 50 4.066 10.614 10.614
381 3HG2 ILE 50 HG21 ILE 50 3.851 11.725 11.725
382 1HD1 ILE 50 HD12 ILE 50 5.523 11.207 11.207
383 2HD1 ILE 50 HD13 ILE 50 5.561 9.667 9.667
384 3HD1 ILE 50 HD11 ILE 50 7.016 10.237 10.237
385 H LYS 51 HN LYS 51 6.216 10.280 10.280
386 HA LYS 51 HA LYS 51 8.876 11.102 11.102
387 1HB LYS 51 HB2 LYS 51 8.486 9.579 9.579
388 2HB LYS 51 HB3 LYS 51 8.960 8.417 8.417
389 1HG LYS 51 HG2 LYS 51 10.723 10.470 10.470
390 2HG LYS 51 HG3 LYS 51 10.525 10.659 10.659
391 1HD LYS 51 HD2 LYS 51 11.586 8.671 8.671
392 2HD LYS 51 HD3 LYS 51 10.892 7.840 7.840
393 1HE LYS 51 HE2 LYS 51 12.519 8.777 8.777
394 2HE LYS 51 HE3 LYS 51 13.040 9.973 9.973
395 1HZ LYS 51 HZ3 LYS 51 13.430 7.640 7.640
396 2HZ LYS 51 HZ1 LYS 51 13.829 7.258 7.258
397 3HZ LYS 51 HZ2 LYS 51 14.586 8.491 8.491
398 H MET 52 HN MET 52 9.782 9.590 9.590
399 HA MET 52 HA MET 52 7.757 7.889 7.889
400 1HB MET 52 HB2 MET 52 7.975 10.388 10.388
401 2HB MET 52 HB3 MET 52 9.385 9.730 9.730
402 1HG MET 52 HG2 MET 52 7.907 7.862 7.862
403 2HG MET 52 HG3 MET 52 6.522 8.684 8.684
404 1HE MET 52 HE2 MET 52 6.519 11.207 11.207
405 2HE MET 52 HE3 MET 52 6.960 12.208 12.208
406 3HE MET 52 HE1 MET 52 5.481 11.218 11.218
407 H PHE 53 HN PHE 53 9.374 6.372 6.372
408 HA PHE 53 HA PHE 53 11.982 6.109 6.109
409 1HB PHE 53 HB2 PHE 53 9.643 4.154 4.154
410 2HB PHE 53 HB3 PHE 53 11.256 3.518 3.518
411 HD1 PHE 53 HD2 PHE 53 13.046 4.774 4.774
412 HD2 PHE 53 HD1 PHE 53 8.927 4.091 4.091
413 HE1 PHE 53 HE2 PHE 53 13.478 4.887 4.887
414 HE2 PHE 53 HE1 PHE 53 9.358 4.204 4.204
415 HZ PHE 53 HZ PHE 53 11.628 4.601 4.601
416 H LYS 54 HN LYS 54 9.715 3.968 3.968
417 HA LYS 54 HA LYS 54 11.227 4.647 4.647
418 1HB LYS 54 HB2 LYS 54 11.548 2.280 2.280
419 2HB LYS 54 HB3 LYS 54 10.305 1.854 1.854
420 1HG LYS 54 HG2 LYS 54 12.523 1.454 1.454
421 2HG LYS 54 HG3 LYS 54 11.716 2.743 2.743
422 1HD LYS 54 HD2 LYS 54 13.191 3.897 3.897
423 2HD LYS 54 HD3 LYS 54 14.260 2.835 2.835
424 1HE LYS 54 HE2 LYS 54 14.112 4.098 4.098
425 2HE LYS 54 HE3 LYS 54 12.506 4.692 4.692
426 1HZ LYS 54 HZ1 LYS 54 14.489 5.518 5.518
427 2HZ LYS 54 HZ2 LYS 54 14.762 6.067 6.067
428 3HZ LYS 54 HZ3 LYS 54 13.349 6.401 6.401
429 H GLY 55 HN GLY 55 9.413 6.162 6.162
430 1HA GLY 55 HA1 GLY 55 7.006 4.732 4.732
431 2HA GLY 55 HA2 GLY 55 6.941 6.267 6.267
432 HA PRO 56 HA PRO 56 7.205 7.267 7.267
433 1HB PRO 56 HB2 PRO 56 5.072 8.972 8.972
434 2HB PRO 56 HB3 PRO 56 4.954 7.266 7.266
435 1HG PRO 56 HG2 PRO 56 4.043 8.686 8.686
436 2HG PRO 56 HG3 PRO 56 3.570 7.105 7.105
437 1HD PRO 56 HD2 PRO 56 5.376 7.666 7.666
438 2HD PRO 56 HD3 PRO 56 4.993 6.089 6.089
439 H GLU 57 HN GLU 57 6.860 9.731 9.731
440 HA GLU 57 HA GLU 57 8.843 11.118 11.118
441 1HB GLU 57 HB2 GLU 57 7.892 12.163 12.163
442 2HB GLU 57 HB3 GLU 57 9.504 12.178 12.178
443 1HG GLU 57 HG2 GLU 57 9.540 9.628 9.628
444 2HG GLU 57 HG3 GLU 57 8.039 9.770 9.770
445 H LYS 58 HN LYS 58 5.478 11.355 11.355
446 HA LYS 58 HA LYS 58 5.186 14.083 14.083
447 1HB LYS 58 HB2 LYS 58 3.892 12.606 12.606
448 2HB LYS 58 HB3 LYS 58 2.858 12.245 12.245
449 1HG LYS 58 HG2 LYS 58 1.862 14.275 14.275
450 2HG LYS 58 HG3 LYS 58 3.406 15.085 15.085
451 1HD LYS 58 HD2 LYS 58 2.405 13.930 13.930
452 2HD LYS 58 HD3 LYS 58 2.159 15.599 15.599
453 1HE LYS 58 HE2 LYS 58 4.815 15.521 15.521
454 2HE LYS 58 HE3 LYS 58 4.728 14.192 14.192
455 1HZ LYS 58 HZ1 LYS 58 3.223 15.994 15.994
456 2HZ LYS 58 HZ2 LYS 58 4.265 16.987 16.987
457 3HZ LYS 58 HZ3 LYS 58 4.829 15.851 15.851
458 H ASP 59 HN ASP 59 3.160 11.322 11.322
459 HA ASP 59 HA ASP 59 3.909 10.955 10.955
460 1HB ASP 59 HB2 ASP 59 4.002 13.318 13.318
461 2HB ASP 59 HB3 ASP 59 2.411 13.604 13.604
462 H ILE 60 HN ILE 60 1.949 10.340 10.340
463 HA ILE 60 HA ILE 60 -0.292 9.574 9.574
464 HB ILE 60 HB ILE 60 0.257 8.299 8.299
465 1HG1 ILE 60 HG12 ILE 60 2.432 8.489 8.489
466 2HG1 ILE 60 HG13 ILE 60 1.958 6.905 6.905
467 1HG2 ILE 60 HG23 ILE 60 -1.785 7.812 7.812
468 2HG2 ILE 60 HG21 ILE 60 -0.713 7.127 7.127
469 3HG2 ILE 60 HG22 ILE 60 -0.777 6.393 6.393
470 1HD1 ILE 60 HD11 ILE 60 1.343 7.953 7.953
471 2HD1 ILE 60 HD12 ILE 60 2.711 6.888 6.888
472 3HD1 ILE 60 HD13 ILE 60 1.041 6.306 6.306
473 H GLU 61 HN GLU 61 0.025 9.882 9.882
474 HA GLU 61 HA GLU 61 -1.034 11.118 11.118
475 1HB GLU 61 HB2 GLU 61 -1.149 12.806 12.806
476 2HB GLU 61 HB3 GLU 61 -2.594 13.021 13.021
477 1HG GLU 61 HG2 GLU 61 -1.460 14.063 14.063
478 2HG GLU 61 HG3 GLU 61 -0.142 12.909 12.909
479 H PHE 62 HN PHE 62 -2.469 9.313 9.313
480 HA PHE 62 HA PHE 62 -4.900 9.076 9.076
481 1HB PHE 62 HB2 PHE 62 -4.553 10.237 10.237
482 2HB PHE 62 HB3 PHE 62 -5.693 8.907 8.907
483 HD1 PHE 62 HD1 PHE 62 -7.617 9.012 9.012
484 HD2 PHE 62 HD2 PHE 62 -5.242 12.366 12.366
485 HE1 PHE 62 HE1 PHE 62 -9.414 10.550 10.550
486 HE2 PHE 62 HE2 PHE 62 -7.039 13.904 13.904
487 HZ PHE 62 HZ PHE 62 -9.104 12.977 12.977
488 H ILE 63 HN ILE 63 -4.284 6.987 6.987
489 HA ILE 63 HA ILE 63 -3.740 5.082 5.082
490 HB ILE 63 HB ILE 63 -3.462 4.415 4.415
491 1HG1 ILE 63 HG12 ILE 63 -2.344 6.761 6.761
492 2HG1 ILE 63 HG13 ILE 63 -1.773 5.804 5.804
493 1HG2 ILE 63 HG21 ILE 63 -2.184 3.587 3.587
494 2HG2 ILE 63 HG22 ILE 63 -1.392 3.264 3.264
495 3HG2 ILE 63 HG23 ILE 63 -3.007 2.593 2.593
496 1HD1 ILE 63 HD11 ILE 63 -0.855 5.265 5.265
497 2HD1 ILE 63 HD12 ILE 63 -0.020 6.414 6.414
498 3HD1 ILE 63 HD13 ILE 63 -0.115 4.692 4.692
499 H TYR 64 HN TYR 64 -4.697 2.793 2.793
500 HA TYR 64 HA TYR 64 -7.470 3.176 3.176
501 1HB TYR 64 HB2 TYR 64 -6.129 1.669 1.669
502 2HB TYR 64 HB3 TYR 64 -7.735 1.213 1.213
503 HD1 TYR 64 HD1 TYR 64 -5.906 4.383 4.383
504 HD2 TYR 64 HD2 TYR 64 -9.493 2.078 2.078
505 HE1 TYR 64 HE1 TYR 64 -6.916 6.174 6.174
506 HE2 TYR 64 HE2 TYR 64 -10.490 3.876 3.876
507 HH TYR 64 HH TYR 64 -8.548 6.553 6.553
508 H THR 65 HN THR 65 -8.514 1.280 1.280
509 HA THR 65 HA THR 65 -7.176 -1.130 -1.130
510 HB THR 65 HB THR 65 -5.659 0.379 0.379
511 HG1 THR 65 HG1 THR 65 -6.416 -1.929 -1.929
512 1HG2 THR 65 HG23 THR 65 -8.313 0.972 0.972
513 2HG2 THR 65 HG21 THR 65 -6.821 0.935 0.935
514 3HG2 THR 65 HG22 THR 65 -6.980 2.090 2.090
515 H ALA 66 HN ALA 66 -8.240 -1.931 -1.931
516 HA ALA 66 HA ALA 66 -11.046 -1.947 -1.947
517 1HB ALA 66 HB2 ALA 66 -9.746 -4.033 -4.033
518 2HB ALA 66 HB3 ALA 66 -9.558 -3.445 -3.445
519 3HB ALA 66 HB1 ALA 66 -11.180 -3.808 -3.808
520 HA PRO 67 HA PRO 67 -12.230 0.788 0.788
521 1HB PRO 67 HB2 PRO 67 -14.788 -0.019 -0.019
522 2HB PRO 67 HB3 PRO 67 -14.359 0.974 0.974
523 1HG PRO 67 HG2 PRO 67 -15.048 -1.899 -1.899
524 2HG PRO 67 HG3 PRO 67 -15.035 -0.806 -0.806
525 1HD PRO 67 HD2 PRO 67 -13.061 -2.790 -2.790
526 2HD PRO 67 HD3 PRO 67 -12.992 -1.620 -1.620
527 H SER 68 HN SER 68 -13.597 -2.340 -2.340
528 HA SER 68 HA SER 68 -13.645 -2.024 -2.024
529 1HB SER 68 HB2 SER 68 -13.302 -4.292 -4.292
530 2HB SER 68 HB3 SER 68 -12.513 -4.601 -4.601
531 HG SER 68 HG SER 68 -15.207 -3.578 -3.578
532 H SER 69 HN SER 69 -12.083 -3.049 -3.049
533 HA SER 69 HA SER 69 -9.973 -1.566 -1.566
534 1HB SER 69 HB2 SER 69 -10.837 -3.380 -3.380
535 2HB SER 69 HB3 SER 69 -9.988 -4.568 -4.568
536 HG SER 69 HG SER 69 -8.086 -3.988 -3.988
537 H ALA 70 HN ALA 70 -10.108 -4.370 -4.370
538 HA ALA 70 HA ALA 70 -8.368 -3.622 -3.622
539 1HB ALA 70 HB1 ALA 70 -6.897 -4.228 -4.228
540 2HB ALA 70 HB2 ALA 70 -6.251 -5.015 -5.015
541 3HB ALA 70 HB3 ALA 70 -6.414 -3.244 -3.244
542 H VAL 71 HN VAL 71 -9.704 -4.998 -4.998
543 HA VAL 71 HA VAL 71 -9.574 -7.836 -7.836
544 HB VAL 71 HB VAL 71 -11.668 -8.033 -8.033
545 1HG1 VAL 71 HG11 VAL 71 -11.499 -5.834 -5.834
546 2HG1 VAL 71 HG12 VAL 71 -11.917 -5.037 -5.037
547 3HG1 VAL 71 HG13 VAL 71 -13.021 -6.242 -6.242
548 1HG2 VAL 71 HG21 VAL 71 -10.781 -6.253 -6.253
549 2HG2 VAL 71 HG22 VAL 71 -11.389 -7.925 -7.925
550 3HG2 VAL 71 HG23 VAL 71 -12.513 -6.577 -6.577
551 H CYS 72 HN CYS 72 -8.856 -5.407 -5.407
552 HA CYS 72 HA CYS 72 -7.342 -7.502 -7.502
553 1HB CYS 72 HB2 CYS 72 -8.878 -5.331 -5.331
554 2HB CYS 72 HB3 CYS 72 -7.959 -6.637 -6.637
555 H GLY 73 HN GLY 73 -6.862 -5.239 -5.239
556 1HA GLY 73 HA1 GLY 73 -4.479 -4.202 -4.202
557 2HA GLY 73 HA2 GLY 73 -5.705 -2.988 -2.988
558 H VAL 74 HN VAL 74 -4.308 -1.948 -1.948
559 HA VAL 74 HA VAL 74 -4.141 -3.467 -3.467
560 HB VAL 74 HB VAL 74 -2.270 -1.387 -1.387
561 1HG1 VAL 74 HG12 VAL 74 -2.351 -2.690 -2.690
562 2HG1 VAL 74 HG13 VAL 74 -0.892 -1.920 -1.920
563 3HG1 VAL 74 HG11 VAL 74 -2.362 -0.955 -0.955
564 1HG2 VAL 74 HG23 VAL 74 -2.279 -3.940 -3.940
565 2HG2 VAL 74 HG21 VAL 74 -0.756 -3.068 -3.068
566 3HG2 VAL 74 HG22 VAL 74 -1.423 -4.137 -4.137
567 H SER 75 HN SER 75 -5.690 -0.993 -0.993
568 HA SER 75 HA SER 75 -6.619 0.933 0.933
569 1HB SER 75 HB2 SER 75 -8.598 0.251 0.251
570 2HB SER 75 HB3 SER 75 -7.853 -1.297 -1.297
571 HG SER 75 HG SER 75 -8.033 0.981 0.981
572 H LEU 76 HN LEU 76 -4.743 2.232 2.232
573 HA LEU 76 HA LEU 76 -4.217 2.383 2.383
574 1HB LEU 76 HB2 LEU 76 -2.460 3.824 3.824
575 2HB LEU 76 HB3 LEU 76 -2.075 2.869 2.869
576 HG LEU 76 HG LEU 76 -2.770 0.848 0.848
577 1HD1 LEU 76 HD12 LEU 76 -3.154 2.877 2.877
578 2HD1 LEU 76 HD13 LEU 76 -1.497 2.361 2.361
579 3HD1 LEU 76 HD11 LEU 76 -2.828 1.180 1.180
580 1HD2 LEU 76 HD21 LEU 76 -0.332 2.076 2.076
581 2HD2 LEU 76 HD22 LEU 76 -0.641 0.374 0.374
582 3HD2 LEU 76 HD23 LEU 76 -0.141 1.526 1.526
583 H ASP 77 HN ASP 77 -4.756 4.186 4.186
584 HA ASP 77 HA ASP 77 -6.051 6.270 6.270
585 1HB ASP 77 HB2 ASP 77 -7.098 6.917 6.917
586 2HB ASP 77 HB3 ASP 77 -7.440 5.251 5.251
587 H VAL 78 HN VAL 78 -3.168 5.450 5.450
588 HA VAL 78 HA VAL 78 -1.347 6.612 6.612
589 HB VAL 78 HB VAL 78 -2.939 8.730 8.730
590 1HG1 VAL 78 HG11 VAL 78 -0.357 9.172 9.172
591 2HG1 VAL 78 HG12 VAL 78 -0.929 10.248 10.248
592 3HG1 VAL 78 HG13 VAL 78 -1.900 10.040 10.040
593 1HG2 VAL 78 HG23 VAL 78 -0.401 7.183 7.183
594 2HG2 VAL 78 HG21 VAL 78 -1.881 7.283 7.283
595 3HG2 VAL 78 HG22 VAL 78 -0.778 8.677 8.677
596 H GLY 79 HN GLY 79 -4.448 8.227 8.227
597 1HA GLY 79 HA1 GLY 79 -3.579 9.669 9.669
598 2HA GLY 79 HA2 GLY 79 -5.190 9.016 9.016
599 H GLY 80 HN GLY 80 -3.479 6.260 6.260
600 1HA GLY 80 HA1 GLY 80 -3.340 5.836 5.836
601 2HA GLY 80 HA2 GLY 80 -4.057 4.680 4.680
602 H LYS 81 HN LYS 81 -1.956 5.409 5.409
603 HA LYS 81 HA LYS 81 0.175 3.771 3.771
604 1HB LYS 81 HB2 LYS 81 0.421 3.859 3.859
605 2HB LYS 81 HB3 LYS 81 -0.040 2.502 2.502
606 1HG LYS 81 HG2 LYS 81 -2.019 4.633 4.633
607 2HG LYS 81 HG3 LYS 81 -1.727 3.148 3.148
608 1HD LYS 81 HD2 LYS 81 -2.789 1.820 1.820
609 2HD LYS 81 HD3 LYS 81 -2.317 2.846 2.846
610 1HE LYS 81 HE2 LYS 81 -4.316 3.917 3.917
611 2HE LYS 81 HE3 LYS 81 -4.056 4.379 4.379
612 1HZ LYS 81 HZ3 LYS 81 -4.773 1.632 1.632
613 2HZ LYS 81 HZ1 LYS 81 -5.936 2.697 2.697
614 3HZ LYS 81 HZ2 LYS 81 -5.325 2.713 2.713
615 H LYS 82 HN LYS 82 0.429 5.696 5.696
616 HA LYS 82 HA LYS 82 1.415 8.045 8.045
617 1HB LYS 82 HB2 LYS 82 3.946 7.588 7.588
618 2HB LYS 82 HB3 LYS 82 3.087 7.206 7.206
619 1HG LYS 82 HG2 LYS 82 2.900 4.884 4.884
620 2HG LYS 82 HG3 LYS 82 4.566 5.424 5.424
621 1HD LYS 82 HD2 LYS 82 4.969 4.592 4.592
622 2HD LYS 82 HD3 LYS 82 3.740 5.638 5.638
623 1HE LYS 82 HE2 LYS 82 2.172 3.958 3.958
624 2HE LYS 82 HE3 LYS 82 2.633 3.293 3.293
625 1HZ LYS 82 HZ2 LYS 82 4.682 2.951 2.951
626 2HZ LYS 82 HZ3 LYS 82 3.284 2.294 2.294
627 3HZ LYS 82 HZ1 LYS 82 3.915 1.827 1.827
628 H GLU 83 HN GLU 83 3.483 5.851 5.851
629 HA GLU 83 HA GLU 83 2.185 6.743 6.743
630 1HB GLU 83 HB2 GLU 83 5.158 7.301 7.301
631 2HB GLU 83 HB3 GLU 83 4.091 7.826 7.826
632 1HG GLU 83 HG2 GLU 83 4.292 9.765 9.765
633 2HG GLU 83 HG3 GLU 83 2.764 9.089 9.089
634 H TYR 84 HN TYR 84 2.781 5.443 5.443
635 HA TYR 84 HA TYR 84 4.412 3.097 3.097
636 1HB TYR 84 HB2 TYR 84 2.678 1.863 1.863
637 2HB TYR 84 HB3 TYR 84 1.992 2.539 2.539
638 HD1 TYR 84 HD2 TYR 84 2.674 3.713 3.713
639 HD2 TYR 84 HD1 TYR 84 -0.083 3.531 3.531
640 HE1 TYR 84 HE2 TYR 84 0.942 4.963 4.963
641 HE2 TYR 84 HE1 TYR 84 -1.804 4.780 4.780
642 HH TYR 84 HH TYR 84 -1.881 4.951 4.951
643 H LEU 85 HN LEU 85 5.447 2.028 2.028
644 HA LEU 85 HA LEU 85 6.208 3.979 3.979
645 1HB LEU 85 HB2 LEU 85 7.863 2.248 2.248
646 2HB LEU 85 HB3 LEU 85 7.983 2.811 2.811
647 HG LEU 85 HG LEU 85 8.200 0.261 0.261
648 1HD1 LEU 85 HD13 LEU 85 7.816 1.671 1.671
649 2HD1 LEU 85 HD11 LEU 85 6.448 0.534 0.534
650 3HD1 LEU 85 HD12 LEU 85 8.112 -0.082 -0.082
651 1HD2 LEU 85 HD23 LEU 85 5.194 0.592 0.592
652 2HD2 LEU 85 HD21 LEU 85 6.120 0.014 0.014
653 3HD2 LEU 85 HD22 LEU 85 6.065 -0.958 -0.958
654 H ILE 86 HN ILE 86 3.554 2.112 2.112
655 HA ILE 86 HA ILE 86 2.607 0.544 0.544
656 HB ILE 86 HB ILE 86 2.013 3.361 3.361
657 1HG1 ILE 86 HG12 ILE 86 -0.247 2.593 2.593
658 2HG1 ILE 86 HG13 ILE 86 0.160 1.006 1.006
659 1HG2 ILE 86 HG23 ILE 86 1.769 1.863 1.863
660 2HG2 ILE 86 HG21 ILE 86 0.510 3.034 3.034
661 3HG2 ILE 86 HG22 ILE 86 2.203 3.563 3.563
662 1HD1 ILE 86 HD13 ILE 86 1.867 1.644 1.644
663 2HD1 ILE 86 HD11 ILE 86 0.150 1.820 1.820
664 3HD1 ILE 86 HD12 ILE 86 0.749 0.277 0.277
665 H ALA 87 HN ALA 87 3.746 -0.821 -0.821
666 HA ALA 87 HA ALA 87 4.753 0.355 0.355
667 1HB ALA 87 HB1 ALA 87 6.221 -0.994 -0.994
668 2HB ALA 87 HB2 ALA 87 6.350 -1.889 -1.889
669 3HB ALA 87 HB3 ALA 87 6.835 -0.179 -0.179
670 H GLY 88 HN GLY 88 3.411 -0.390 -0.390
671 1HA GLY 88 HA1 GLY 88 2.889 -3.276 -3.276
672 2HA GLY 88 HA2 GLY 88 1.521 -2.182 -2.182
673 H LYS 89 HN LYS 89 1.771 -3.820 -3.820
674 HA LYS 89 HA LYS 89 3.336 -3.225 -3.225
675 1HB LYS 89 HB2 LYS 89 1.436 -3.873 -3.873
676 2HB LYS 89 HB3 LYS 89 1.674 -4.960 -4.960
677 1HG LYS 89 HG2 LYS 89 -0.082 -3.015 -3.015
678 2HG LYS 89 HG3 LYS 89 -0.632 -3.234 -3.234
679 1HD LYS 89 HD2 LYS 89 -1.194 -5.484 -5.484
680 2HD LYS 89 HD3 LYS 89 -0.003 -5.714 -5.714
681 1HE LYS 89 HE2 LYS 89 -1.663 -5.440 -5.440
682 2HE LYS 89 HE3 LYS 89 -1.759 -3.757 -3.757
683 1HZ LYS 89 HZ1 LYS 89 -3.211 -4.649 -4.649
684 2HZ LYS 89 HZ2 LYS 89 -3.356 -5.999 -5.999
685 3HZ LYS 89 HZ3 LYS 89 -3.859 -4.562 -4.562
686 H ALA 90 HN ALA 90 0.706 -1.206 -1.206
687 HA ALA 90 HA ALA 90 0.473 1.018 1.018
688 1HB ALA 90 HB3 ALA 90 3.017 0.723 0.723
689 2HB ALA 90 HB1 ALA 90 2.153 1.435 1.435
690 3HB ALA 90 HB2 ALA 90 2.168 2.277 2.277
691 H GLU 91 HN GLU 91 -0.312 2.642 2.642
692 HA GLU 91 HA GLU 91 -1.682 1.042 1.042
693 1HB GLU 91 HB2 GLU 91 -3.084 1.718 1.718
694 2HB GLU 91 HB3 GLU 91 -3.167 3.286 3.286
695 1HG GLU 91 HG2 GLU 91 -5.116 1.864 1.864
696 2HG GLU 91 HG3 GLU 91 -4.164 2.283 2.283
697 H GLY 92 HN GLY 92 0.567 3.306 3.306
698 1HA GLY 92 HA1 GLY 92 1.239 4.375 4.375
699 2HA GLY 92 HA2 GLY 92 -0.363 5.085 5.085
700 H ASP 93 HN ASP 93 -0.347 7.201 7.201
701 HA ASP 93 HA ASP 93 1.398 7.874 7.874
702 1HB ASP 93 HB2 ASP 93 1.106 9.120 9.120
703 2HB ASP 93 HB3 ASP 93 1.147 10.256 10.256
704 H GLY 94 HN GLY 94 0.472 9.454 9.454
705 1HA GLY 94 HA1 GLY 94 -1.121 10.797 10.797
706 2HA GLY 94 HA2 GLY 94 -2.038 10.729 10.729
707 H LYS 95 HN LYS 95 -1.372 7.537 7.537
708 HA LYS 95 HA LYS 95 -2.987 6.872 6.872
709 1HB LYS 95 HB2 LYS 95 -5.081 6.346 6.346
710 2HB LYS 95 HB3 LYS 95 -4.720 7.937 7.937
711 1HG LYS 95 HG2 LYS 95 -4.041 5.398 5.398
712 2HG LYS 95 HG3 LYS 95 -5.614 6.160 6.160
713 1HD LYS 95 HD2 LYS 95 -4.811 7.938 7.938
714 2HD LYS 95 HD3 LYS 95 -3.317 8.032 8.032
715 1HE LYS 95 HE2 LYS 95 -2.204 6.848 6.848
716 2HE LYS 95 HE3 LYS 95 -3.356 5.532 5.532
717 1HZ LYS 95 HZ2 LYS 95 -4.737 7.385 7.385
718 2HZ LYS 95 HZ3 LYS 95 -3.228 7.665 7.665
719 3HZ LYS 95 HZ1 LYS 95 -3.894 6.180 6.180
720 H MET 96 HN MET 96 -2.993 4.598 4.598
721 HA MET 96 HA MET 96 -1.877 2.998 2.998
722 1HB MET 96 HB2 MET 96 -0.346 2.059 2.059
723 2HB MET 96 HB3 MET 96 0.216 3.313 3.313
724 1HG MET 96 HG2 MET 96 0.181 4.901 4.901
725 2HG MET 96 HG3 MET 96 -1.423 4.436 4.436
726 1HE MET 96 HE3 MET 96 1.828 4.925 4.925
727 2HE MET 96 HE1 MET 96 1.683 4.730 4.730
728 3HE MET 96 HE2 MET 96 2.619 3.552 3.552
729 H HIS 97 HN HIS 97 -1.362 0.648 0.648
730 HA HIS 97 HA HIS 97 -3.934 0.178 0.178
731 1HB HIS 97 HB2 HIS 97 -2.815 -1.094 -1.094
732 2HB HIS 97 HB3 HIS 97 -3.303 -2.243 -2.243
733 HD1 HIS 97 HD1 HIS 97 -4.844 -2.075 -2.075
734 HD2 HIS 97 HD2 HIS 97 -5.929 0.021 0.021
735 HE1 HIS 97 HE1 HIS 97 -7.329 -1.549 -1.549
736 H ILE 98 HN ILE 98 -3.756 -0.742 -0.742
737 HA ILE 98 HA ILE 98 -1.345 -2.275 -2.275
738 HB ILE 98 HB ILE 98 -0.847 -1.075 -1.075
739 1HG1 ILE 98 HG12 ILE 98 -3.398 0.435 0.435
740 2HG1 ILE 98 HG13 ILE 98 -2.942 -0.449 -0.449
741 1HG2 ILE 98 HG21 ILE 98 -0.253 -0.173 -0.173
742 2HG2 ILE 98 HG22 ILE 98 -1.212 1.219 1.219
743 3HG2 ILE 98 HG23 ILE 98 0.220 0.699 0.699
744 1HD1 ILE 98 HD12 ILE 98 -1.044 1.718 1.718
745 2HD1 ILE 98 HD13 ILE 98 -2.684 2.281 2.281
746 3HD1 ILE 98 HD11 ILE 98 -1.764 1.311 1.311
747 H THR 99 HN THR 99 -1.742 -4.051 -4.051
748 HA THR 99 HA THR 99 -4.336 -4.151 -4.151
749 HB THR 99 HB THR 99 -4.236 -6.663 -6.663
750 HG1 THR 99 HG1 THR 99 -3.300 -6.351 -6.351
751 1HG2 THR 99 HG23 THR 99 -5.415 -4.151 -4.151
752 2HG2 THR 99 HG21 THR 99 -5.076 -5.305 -5.305
753 3HG2 THR 99 HG22 THR 99 -6.123 -5.784 -5.784
754 H LEU 100 HN LEU 100 -4.427 -6.153 -6.153
755 HA LEU 100 HA LEU 100 -2.275 -5.927 -5.927
756 1HB LEU 100 HB2 LEU 100 -3.510 -7.219 -7.219
757 2HB LEU 100 HB3 LEU 100 -4.761 -6.582 -6.582
758 HG LEU 100 HG LEU 100 -3.524 -9.237 -9.237
759 1HD1 LEU 100 HD12 LEU 100 -5.291 -8.636 -8.636
760 2HD1 LEU 100 HD13 LEU 100 -5.583 -10.127 -10.127
761 3HD1 LEU 100 HD11 LEU 100 -3.993 -9.841 -9.841
762 1HD2 LEU 100 HD21 LEU 100 -5.201 -7.927 -7.927
763 2HD2 LEU 100 HD22 LEU 100 -5.496 -9.657 -9.657
764 3HD2 LEU 100 HD23 LEU 100 -6.413 -8.429 -8.429
765 H CYS 101 HN CYS 101 -3.174 -8.405 -8.405
766 HA CYS 101 HA CYS 101 -1.127 -10.179 -10.179
767 1HB CYS 101 HB2 CYS 101 -1.854 -10.180 -10.180
768 2HB CYS 101 HB3 CYS 101 -1.977 -11.449 -11.449
769 H ASP 102 HN ASP 102 -1.264 -7.121 -7.121
770 HA ASP 102 HA ASP 102 1.166 -7.573 -7.573
771 1HB ASP 102 HB2 ASP 102 -0.903 -5.931 -5.931
772 2HB ASP 102 HB3 ASP 102 0.026 -4.822 -4.822
773 H PHE 103 HN PHE 103 2.965 -5.720 -5.720
774 HA PHE 103 HA PHE 103 3.822 -5.904 -5.904
775 1HB PHE 103 HB2 PHE 103 5.464 -5.951 -5.951
776 2HB PHE 103 HB3 PHE 103 4.725 -4.586 -4.586
777 HD1 PHE 103 HD2 PHE 103 5.156 -4.318 -4.318
778 HD2 PHE 103 HD1 PHE 103 6.993 -3.601 -3.601
779 HE1 PHE 103 HE2 PHE 103 6.799 -2.771 -2.771
780 HE2 PHE 103 HE1 PHE 103 8.636 -2.054 -2.054
781 HZ PHE 103 HZ PHE 103 8.519 -1.658 -1.658
782 H ILE 104 HN ILE 104 3.218 -4.589 -4.589
783 HA ILE 104 HA ILE 104 3.197 -1.773 -1.773
784 HB ILE 104 HB ILE 104 0.737 -1.636 -1.636
785 1HG1 ILE 104 HG12 ILE 104 0.648 -4.279 -4.279
786 2HG1 ILE 104 HG13 ILE 104 0.448 -4.091 -4.091
787 1HG2 ILE 104 HG22 ILE 104 1.990 -1.147 -1.147
788 2HG2 ILE 104 HG23 ILE 104 0.750 -2.315 -2.315
789 3HG2 ILE 104 HG21 ILE 104 0.269 -0.818 -0.818
790 1HD1 ILE 104 HD11 ILE 104 -1.480 -2.478 -2.478
791 2HD1 ILE 104 HD12 ILE 104 -1.347 -2.977 -2.977
792 3HD1 ILE 104 HD13 ILE 104 -1.769 -4.175 -4.175
793 H VAL 105 HN VAL 105 3.658 -0.810 -0.810
794 HA VAL 105 HA VAL 105 2.932 -2.138 -2.138
795 HB VAL 105 HB VAL 105 5.608 -1.756 -1.756
796 1HG1 VAL 105 HG12 VAL 105 3.728 -3.964 -3.964
797 2HG1 VAL 105 HG13 VAL 105 5.373 -4.466 -4.466
798 3HG1 VAL 105 HG11 VAL 105 5.081 -3.721 -3.721
799 1HG2 VAL 105 HG22 VAL 105 5.287 -2.888 -2.888
800 2HG2 VAL 105 HG23 VAL 105 6.206 -1.445 -1.445
801 3HG2 VAL 105 HG21 VAL 105 6.759 -3.063 -3.063
802 HA PRO 106 HA PRO 106 3.024 1.981 1.981
803 1HB PRO 106 HB2 PRO 106 3.338 1.750 1.750
804 2HB PRO 106 HB3 PRO 106 1.803 1.505 1.505
805 1HG PRO 106 HG2 PRO 106 3.641 -0.513 -0.513
806 2HG PRO 106 HG3 PRO 106 1.948 -0.683 -0.683
807 1HD PRO 106 HD2 PRO 106 4.194 -1.653 -1.653
808 2HD PRO 106 HD3 PRO 106 2.509 -1.720 -1.720
809 H TRP 107 HN TRP 107 5.685 0.383 0.383
810 HA TRP 107 HA TRP 107 7.800 1.035 1.035
811 1HB TRP 107 HB2 TRP 107 6.754 3.285 3.285
812 2HB TRP 107 HB3 TRP 107 7.052 3.725 3.725
813 HD1 TRP 107 HD1 TRP 107 9.488 1.910 1.910
814 HE1 TRP 107 HE1 TRP 107 11.774 3.220 3.220
815 HE3 TRP 107 HE3 TRP 107 8.110 5.755 5.755
816 HZ2 TRP 107 HZ2 TRP 107 12.727 5.661 5.661
817 HZ3 TRP 107 HZ3 TRP 107 9.777 7.562 7.562
818 HH2 TRP 107 HH2 TRP 107 12.017 7.557 7.557
819 H ASP 108 HN ASP 108 6.418 2.590 2.590
820 HA ASP 108 HA ASP 108 8.683 1.992 1.992
821 1HB ASP 108 HB2 ASP 108 7.131 3.788 3.788
822 2HB ASP 108 HB3 ASP 108 5.806 2.652 2.652
823 H THR 109 HN THR 109 8.249 -0.424 -0.424
824 HA THR 109 HA THR 109 7.630 -2.136 -2.136
825 HB THR 109 HB THR 109 5.868 -3.381 -3.381
826 HG1 THR 109 HG1 THR 109 6.053 -2.235 -2.235
827 1HG2 THR 109 HG22 THR 109 5.310 -1.867 -1.867
828 2HG2 THR 109 HG23 THR 109 5.037 -0.567 -0.567
829 3HG2 THR 109 HG21 THR 109 4.031 -2.034 -2.034
830 H LEU 110 HN LEU 110 7.969 -2.079 -2.079
831 HA LEU 110 HA LEU 110 8.877 -3.969 -3.969
832 1HB LEU 110 HB2 LEU 110 11.127 -2.162 -2.162
833 2HB LEU 110 HB3 LEU 110 11.123 -3.198 -3.198
834 HG LEU 110 HG LEU 110 9.208 -0.888 -0.888
835 1HD1 LEU 110 HD12 LEU 110 11.718 -0.334 -0.334
836 2HD1 LEU 110 HD13 LEU 110 11.549 -0.859 -0.859
837 3HD1 LEU 110 HD11 LEU 110 10.573 0.498 0.498
838 1HD2 LEU 110 HD21 LEU 110 9.084 -3.064 -3.064
839 2HD2 LEU 110 HD22 LEU 110 8.138 -1.558 -1.558
840 3HD2 LEU 110 HD23 LEU 110 9.660 -1.693 -1.693
841 H SER 111 HN SER 111 11.886 -3.603 -3.603
842 HA SER 111 HA SER 111 11.987 -5.008 -5.008
843 1HB SER 111 HB2 SER 111 11.052 -6.899 -6.899
844 2HB SER 111 HB3 SER 111 12.222 -7.516 -7.516
845 HG SER 111 HG SER 111 10.788 -7.339 -7.339
846 H THR 112 HN THR 112 13.022 -5.315 -5.315
847 HA THR 112 HA THR 112 15.504 -4.395 -4.395
848 HB THR 112 HB THR 112 15.320 -7.012 -7.012
849 HG1 THR 112 HG1 THR 112 17.212 -4.783 -4.783
850 1HG2 THR 112 HG23 THR 112 17.634 -6.340 -6.340
851 2HG2 THR 112 HG21 THR 112 17.668 -7.609 -7.609
852 3HG2 THR 112 HG22 THR 112 16.563 -7.754 -7.754
853 H THR 113 HN THR 113 14.304 -7.687 -7.687
854 HA THR 113 HA THR 113 15.536 -7.727 -7.727
855 HB THR 113 HB THR 113 12.907 -8.955 -8.955
856 HG1 THR 113 HG1 THR 113 15.681 -9.869 -9.869
857 1HG2 THR 113 HG23 THR 113 14.290 -9.114 -9.114
858 2HG2 THR 113 HG21 THR 113 14.220 -10.696 -10.696
859 3HG2 THR 113 HG22 THR 113 12.719 -9.801 -9.801
860 H GLN 114 HN GLN 114 12.775 -5.842 -5.842
861 HA GLN 114 HA GLN 114 11.923 -5.375 -5.375
862 1HB GLN 114 HB2 GLN 114 10.979 -4.609 -4.609
863 2HB GLN 114 HB3 GLN 114 10.510 -3.561 -3.561
864 1HG GLN 114 HG2 GLN 114 8.771 -5.057 -5.057
865 2HG GLN 114 HG3 GLN 114 9.932 -5.949 -5.949
866 1HE2 GLN 114 HE22 GLN 114 10.867 -8.158 -8.158
867 2HE2 GLN 114 HE21 GLN 114 11.622 -7.092 -7.092
868 H LYS 115 HN LYS 115 13.918 -3.834 -3.834
869 HA LYS 115 HA LYS 115 14.009 -1.299 -1.299
870 1HB LYS 115 HB2 LYS 115 15.081 -2.562 -2.562
871 2HB LYS 115 HB3 LYS 115 16.211 -1.451 -1.451
872 1HG LYS 115 HG2 LYS 115 14.842 0.403 0.403
873 2HG LYS 115 HG3 LYS 115 13.361 -0.525 -0.525
874 1HD LYS 115 HD2 LYS 115 15.251 -0.417 -0.417
875 2HD LYS 115 HD3 LYS 115 13.600 0.167 0.167
876 1HE LYS 115 HE2 LYS 115 12.996 -2.335 -2.335
877 2HE LYS 115 HE3 LYS 115 14.580 -2.705 -2.705
878 1HZ LYS 115 HZ3 LYS 115 13.784 -1.294 -1.294
879 2HZ LYS 115 HZ1 LYS 115 12.282 -1.558 -1.558
880 3HZ LYS 115 HZ2 LYS 115 13.219 -2.819 -2.819
881 H LYS 116 HN LYS 116 16.042 -4.269 -4.269
882 HA LYS 116 HA LYS 116 18.151 -3.172 -3.172
883 1HB LYS 116 HB2 LYS 116 18.982 -5.366 -5.366
884 2HB LYS 116 HB3 LYS 116 18.131 -5.286 -5.286
885 1HG LYS 116 HG2 LYS 116 16.987 -7.129 -7.129
886 2HG LYS 116 HG3 LYS 116 16.117 -6.074 -6.074
887 1HD LYS 116 HD2 LYS 116 18.796 -6.997 -6.997
888 2HD LYS 116 HD3 LYS 116 17.580 -8.249 -8.249
889 1HE LYS 116 HE2 LYS 116 16.682 -7.575 -7.575
890 2HE LYS 116 HE3 LYS 116 16.245 -6.050 -6.050
891 1HZ LYS 116 HZ1 LYS 116 18.671 -5.456 -5.456
892 2HZ LYS 116 HZ2 LYS 116 18.633 -6.690 -6.690
893 3HZ LYS 116 HZ3 LYS 116 17.606 -5.432 -5.432
894 H SER 117 HN SER 117 14.900 -4.100 -4.100
895 HA SER 117 HA SER 117 15.597 -4.468 -4.468
896 1HB SER 117 HB2 SER 117 13.550 -5.431 -5.431
897 2HB SER 117 HB3 SER 117 12.727 -4.238 -4.238
898 HG SER 117 HG SER 117 13.298 -6.711 -6.711
899 H LEU 118 HN LEU 118 14.701 -1.935 -1.935
900 HA LEU 118 HA LEU 118 13.322 -0.281 -0.281
901 1HB LEU 118 HB2 LEU 118 14.457 -0.039 -0.039
902 2HB LEU 118 HB3 LEU 118 14.195 1.447 1.447
903 HG LEU 118 HG LEU 118 11.893 -0.383 -0.383
904 1HD1 LEU 118 HD11 LEU 118 13.098 0.431 0.431
905 2HD1 LEU 118 HD12 LEU 118 11.327 0.482 0.482
906 3HD1 LEU 118 HD13 LEU 118 12.203 -1.042 -1.042
907 1HD2 LEU 118 HD22 LEU 118 12.426 2.364 2.364
908 2HD2 LEU 118 HD23 LEU 118 10.855 1.533 1.533
909 3HD2 LEU 118 HD21 LEU 118 11.398 2.215 2.215
910 H ASN 119 HN ASN 119 16.713 -0.992 -0.992
911 HA ASN 119 HA ASN 119 17.578 1.349 1.349
912 1HB ASN 119 HB2 ASN 119 19.875 0.428 0.428
913 2HB ASN 119 HB3 ASN 119 18.914 0.550 0.550
914 1HD2 ASN 119 HD22 ASN 119 19.854 -3.120 -3.120
915 2HD2 ASN 119 HD21 ASN 119 19.900 -1.651 -1.651
916 H HIS 120 HN HIS 120 16.347 -1.697 -1.697
917 HA HIS 120 HA HIS 120 18.153 -2.191 -2.191
918 1HB HIS 120 HB2 HIS 120 16.134 -3.706 -3.706
919 2HB HIS 120 HB3 HIS 120 16.081 -3.999 -3.999
920 HD1 HIS 120 HD1 HIS 120 16.937 -6.463 -6.463
921 HD2 HIS 120 HD2 HIS 120 19.655 -3.369 -3.369
922 HE1 HIS 120 HE1 HIS 120 19.213 -7.574 -7.574
923 H ARG 121 HN ARG 121 16.416 0.291 0.291
924 HA ARG 121 HA ARG 121 15.061 1.485 1.485
925 1HB ARG 121 HB2 ARG 121 16.562 -0.139 -0.139
926 2HB ARG 121 HB3 ARG 121 15.248 0.871 0.871
927 1HG ARG 121 HG2 ARG 121 17.557 1.978 1.978
928 2HG ARG 121 HG3 ARG 121 16.280 2.879 2.879
929 1HD ARG 121 HD2 ARG 121 17.020 1.989 1.989
930 2HD ARG 121 HD3 ARG 121 18.283 1.063 1.063
931 HE ARG 121 HE ARG 121 18.362 3.890 3.890
932 1HH1 ARG 121 HH22 ARG 121 19.436 1.528 1.528
933 2HH1 ARG 121 HH21 ARG 121 20.802 2.465 2.465
934 1HH2 ARG 121 HH12 ARG 121 20.165 5.128 5.128
935 2HH2 ARG 121 HH11 ARG 121 21.219 4.528 4.528
936 H TYR 122 HN TYR 122 14.705 -1.116 -1.116
937 HA TYR 122 HA TYR 122 12.103 -1.846 -1.846
938 1HB TYR 122 HB2 TYR 122 11.012 -1.215 -1.215
939 2HB TYR 122 HB3 TYR 122 12.088 0.130 0.130
940 HD1 TYR 122 HD1 TYR 122 14.520 -0.105 -0.105
941 HD2 TYR 122 HD2 TYR 122 11.030 -2.164 -2.164
942 HE1 TYR 122 HE1 TYR 122 15.597 -0.423 -0.423
943 HE2 TYR 122 HE2 TYR 122 12.119 -2.475 -2.475
944 HH TYR 122 HH TYR 122 13.774 -1.811 -1.811
945 H GLN 123 HN GLN 123 12.844 -3.950 -3.950
946 HA GLN 123 HA GLN 123 13.419 -6.009 -6.009
947 1HB GLN 123 HB2 GLN 123 11.396 -6.107 -6.107
948 2HB GLN 123 HB3 GLN 123 12.200 -5.390 -5.390
949 1HG GLN 123 HG2 GLN 123 13.795 -7.635 -7.635
950 2HG GLN 123 HG3 GLN 123 12.148 -8.195 -8.195
951 1HE2 GLN 123 HE22 GLN 123 12.235 -8.983 -8.983
952 2HE2 GLN 123 HE21 GLN 123 12.286 -9.548 -9.548
953 H MET 124 HN MET 124 15.683 -4.830 -4.830
954 HA MET 124 HA MET 124 17.151 -4.564 -4.564
955 1HB MET 124 HB2 MET 124 17.522 -4.321 -4.321
956 2HB MET 124 HB3 MET 124 18.908 -5.141 -5.141
957 1HG MET 124 HG2 MET 124 18.084 -2.845 -2.845
958 2HG MET 124 HG3 MET 124 18.436 -2.358 -2.358
959 1HE MET 124 HE3 MET 124 20.229 -2.163 -2.163
960 2HE MET 124 HE1 MET 124 21.844 -2.853 -2.853
961 3HE MET 124 HE2 MET 124 21.360 -1.351 -1.351
962 H GLY 125 HN GLY 125 16.127 -6.867 -6.867
963 1HA GLY 125 HA1 GLY 125 16.513 -9.009 -9.009
964 2HA GLY 125 HA2 GLY 125 18.217 -8.614 -8.614
965 H CYS 126 HN CYS 126 16.154 -8.218 -8.218
966 HA CYS 126 HA CYS 126 17.756 -9.793 -9.793
967 1HB CYS 126 HB2 CYS 126 16.346 -9.269 -9.269
968 2HB CYS 126 HB3 CYS 126 15.916 -8.015 -8.015
969 H GLU 127 HN GLU 127 16.093 -11.597 -11.597
970 HA GLU 127 HA GLU 127 14.560 -13.241 -13.241
971 1HB GLU 127 HB2 GLU 127 16.745 -13.643 -13.643
972 2HB GLU 127 HB3 GLU 127 17.410 -14.288 -14.288
973 1HG GLU 127 HG2 GLU 127 15.662 -16.057 -16.057
974 2HG GLU 127 HG3 GLU 127 14.933 -15.394 -15.394
Start of MODEL 25
1 H CYS 1 HN CYS 1 -8.878 -11.051 -11.051
2 HA CYS 1 HA CYS 1 -8.464 -9.096 -9.096
3 1HB CYS 1 HB2 CYS 1 -10.810 -10.852 -10.852
4 2HB CYS 1 HB3 CYS 1 -10.778 -9.879 -9.879
5 H SER 2 HN SER 2 -9.578 -12.146 -12.146
6 HA SER 2 HA SER 2 -8.437 -11.224 -11.224
7 1HB SER 2 HB2 SER 2 -9.149 -13.976 -13.976
8 2HB SER 2 HB3 SER 2 -10.036 -12.586 -12.586
9 HG SER 2 HG SER 2 -10.560 -14.221 -14.221
10 H CYS 3 HN CYS 3 -6.464 -11.444 -11.444
11 HA CYS 3 HA CYS 3 -5.138 -13.940 -13.940
12 1HB CYS 3 HB2 CYS 3 -5.059 -12.123 -12.123
13 2HB CYS 3 HB3 CYS 3 -3.814 -11.389 -11.389
14 H SER 4 HN SER 4 -2.576 -13.687 -13.687
15 HA SER 4 HA SER 4 -2.588 -12.342 -12.342
16 1HB SER 4 HB2 SER 4 -1.105 -14.153 -14.153
17 2HB SER 4 HB3 SER 4 -2.656 -14.776 -14.776
18 HG SER 4 HG SER 4 -0.080 -15.106 -15.106
19 HA PRO 5 HA PRO 5 0.869 -10.340 -10.340
20 1HB PRO 5 HB2 PRO 5 1.434 -8.634 -8.634
21 2HB PRO 5 HB3 PRO 5 0.227 -8.292 -8.292
22 1HG PRO 5 HG2 PRO 5 -0.166 -9.136 -9.136
23 2HG PRO 5 HG3 PRO 5 -1.315 -8.391 -8.391
24 1HD PRO 5 HD2 PRO 5 -1.203 -11.158 -11.158
25 2HD PRO 5 HD3 PRO 5 -2.276 -10.434 -10.434
26 H VAL 6 HN VAL 6 2.802 -11.208 -11.208
27 HA VAL 6 HA VAL 6 4.346 -11.819 -11.819
28 HB VAL 6 HB VAL 6 3.048 -13.851 -13.851
29 1HG1 VAL 6 HG11 VAL 6 4.057 -13.156 -13.156
30 2HG1 VAL 6 HG12 VAL 6 4.608 -14.788 -14.788
31 3HG1 VAL 6 HG13 VAL 6 2.871 -14.403 -14.403
32 1HG2 VAL 6 HG23 VAL 6 5.968 -13.630 -13.630
33 2HG2 VAL 6 HG21 VAL 6 4.788 -14.640 -14.640
34 3HG2 VAL 6 HG22 VAL 6 5.424 -15.170 -15.170
35 H HIS 7 HN HIS 7 5.964 -13.425 -13.425
36 HA HIS 7 HA HIS 7 7.949 -12.861 -12.861
37 1HB HIS 7 HB2 HIS 7 7.415 -11.297 -11.297
38 2HB HIS 7 HB3 HIS 7 6.987 -12.995 -12.995
39 HD1 HIS 7 HD1 HIS 7 4.653 -13.426 -13.426
40 HD2 HIS 7 HD2 HIS 7 5.043 -9.666 -9.666
41 HE1 HIS 7 HE1 HIS 7 2.348 -12.337 -12.337
42 HA PRO 8 HA PRO 8 8.745 -8.981 -8.981
43 1HB PRO 8 HB2 PRO 8 11.047 -9.759 -9.759
44 2HB PRO 8 HB3 PRO 8 9.464 -9.899 -9.899
45 1HG PRO 8 HG2 PRO 8 11.164 -12.022 -12.022
46 2HG PRO 8 HG3 PRO 8 9.807 -12.179 -12.179
47 1HD PRO 8 HD2 PRO 8 9.803 -12.709 -12.709
48 2HD PRO 8 HD3 PRO 8 8.420 -12.754 -12.754
49 H GLN 9 HN GLN 9 9.843 -10.448 -10.448
50 HA GLN 9 HA GLN 9 11.578 -8.198 -8.198
51 1HB GLN 9 HB2 GLN 9 13.165 -9.900 -9.900
52 2HB GLN 9 HB3 GLN 9 12.406 -11.113 -11.113
53 1HG GLN 9 HG2 GLN 9 13.689 -10.500 -10.500
54 2HG GLN 9 HG3 GLN 9 13.074 -8.861 -8.861
55 1HE2 GLN 9 HE22 GLN 9 15.669 -7.874 -7.874
56 2HE2 GLN 9 HE21 GLN 9 13.940 -7.946 -7.946
57 H GLN 10 HN GLN 10 9.953 -11.188 -11.188
58 HA GLN 10 HA GLN 10 10.084 -10.530 -10.530
59 1HB GLN 10 HB2 GLN 10 9.147 -12.576 -12.576
60 2HB GLN 10 HB3 GLN 10 8.933 -12.570 -12.570
61 1HG GLN 10 HG2 GLN 10 6.717 -12.832 -12.832
62 2HG GLN 10 HG3 GLN 10 6.792 -11.086 -11.086
63 1HE2 GLN 10 HE22 GLN 10 5.218 -12.067 -12.067
64 2HE2 GLN 10 HE21 GLN 10 4.933 -12.384 -12.384
65 H ALA 11 HN ALA 11 8.499 -8.885 -8.885
66 HA ALA 11 HA ALA 11 6.210 -8.054 -8.054
67 1HB ALA 11 HB2 ALA 11 7.160 -7.943 -7.943
68 2HB ALA 11 HB3 ALA 11 6.503 -6.378 -6.378
69 3HB ALA 11 HB1 ALA 11 5.500 -7.846 -7.846
70 H PHE 12 HN PHE 12 9.500 -6.929 -6.929
71 HA PHE 12 HA PHE 12 8.963 -4.352 -4.352
72 1HB PHE 12 HB2 PHE 12 11.452 -5.710 -5.710
73 2HB PHE 12 HB3 PHE 12 11.403 -4.029 -4.029
74 HD1 PHE 12 HD1 PHE 12 8.981 -6.106 -6.106
75 HD2 PHE 12 HD2 PHE 12 11.535 -2.717 -2.717
76 HE1 PHE 12 HE1 PHE 12 8.167 -5.458 -5.458
77 HE2 PHE 12 HE2 PHE 12 10.720 -2.069 -2.069
78 HZ PHE 12 HZ PHE 12 9.046 -3.448 -3.448
79 H CYS 13 HN CYS 13 9.345 -7.325 -7.325
80 HA CYS 13 HA CYS 13 11.165 -6.364 -6.364
81 1HB CYS 13 HB2 CYS 13 10.846 -9.013 -9.013
82 2HB CYS 13 HB3 CYS 13 11.118 -9.023 -9.023
83 H ASN 14 HN ASN 14 7.947 -7.002 -7.002
84 HA ASN 14 HA ASN 14 7.201 -7.743 -7.743
85 1HB ASN 14 HB2 ASN 14 6.264 -8.555 -8.555
86 2HB ASN 14 HB3 ASN 14 4.991 -7.523 -7.523
87 1HD2 ASN 14 HD22 ASN 14 5.822 -11.202 -11.202
88 2HD2 ASN 14 HD21 ASN 14 6.821 -10.447 -10.447
89 H ALA 15 HN ALA 15 6.763 -5.340 -5.340
90 HA ALA 15 HA ALA 15 4.744 -3.802 -3.802
91 1HB ALA 15 HB3 ALA 15 7.219 -3.014 -3.014
92 2HB ALA 15 HB1 ALA 15 5.796 -1.970 -1.970
93 3HB ALA 15 HB2 ALA 15 5.638 -3.503 -3.503
94 H ASP 16 HN ASP 16 5.143 -1.411 -1.411
95 HA ASP 16 HA ASP 16 7.371 -1.291 -1.291
96 1HB ASP 16 HB2 ASP 16 4.514 -1.666 -1.666
97 2HB ASP 16 HB3 ASP 16 5.420 -0.459 -0.459
98 H VAL 17 HN VAL 17 5.832 0.038 0.038
99 HA VAL 17 HA VAL 17 6.467 2.705 2.705
100 HB VAL 17 HB VAL 17 4.317 2.431 2.431
101 1HG1 VAL 17 HG12 VAL 17 3.421 0.834 0.834
102 2HG1 VAL 17 HG13 VAL 17 2.908 2.338 2.338
103 3HG1 VAL 17 HG11 VAL 17 2.292 1.942 1.942
104 1HG2 VAL 17 HG21 VAL 17 5.196 4.593 4.593
105 2HG2 VAL 17 HG22 VAL 17 3.537 4.549 4.549
106 3HG2 VAL 17 HG23 VAL 17 3.823 4.327 4.327
107 H VAL 18 HN VAL 18 7.800 2.327 2.327
108 HA VAL 18 HA VAL 18 6.337 1.906 1.906
109 HB VAL 18 HB VAL 18 9.267 2.190 2.190
110 1HG1 VAL 18 HG13 VAL 18 7.156 0.848 0.848
111 2HG1 VAL 18 HG11 VAL 18 8.423 -0.315 -0.315
112 3HG1 VAL 18 HG12 VAL 18 8.846 1.141 1.141
113 1HG2 VAL 18 HG22 VAL 18 7.918 0.278 0.278
114 2HG2 VAL 18 HG23 VAL 18 9.518 1.050 1.050
115 3HG2 VAL 18 HG21 VAL 18 9.273 -0.340 -0.340
116 H ILE 19 HN ILE 19 5.739 3.611 3.611
117 HA ILE 19 HA ILE 19 7.463 5.944 5.944
118 HB ILE 19 HB ILE 19 5.755 7.500 7.500
119 1HG1 ILE 19 HG12 ILE 19 3.946 5.144 5.144
120 2HG1 ILE 19 HG13 ILE 19 3.727 6.794 6.794
121 1HG2 ILE 19 HG21 ILE 19 7.043 6.277 6.277
122 2HG2 ILE 19 HG22 ILE 19 5.532 5.386 5.386
123 3HG2 ILE 19 HG23 ILE 19 5.571 7.157 7.157
124 1HD1 ILE 19 HD12 ILE 19 3.665 7.384 7.384
125 2HD1 ILE 19 HD13 ILE 19 3.322 5.649 5.649
126 3HD1 ILE 19 HD11 ILE 19 2.226 6.666 6.666
127 H ARG 20 HN ARG 20 7.730 6.595 6.595
128 HA ARG 20 HA ARG 20 6.218 5.265 5.265
129 1HB ARG 20 HB2 ARG 20 8.700 5.934 5.934
130 2HB ARG 20 HB3 ARG 20 8.171 7.588 7.588
131 1HG ARG 20 HG2 ARG 20 6.787 6.774 6.774
132 2HG ARG 20 HG3 ARG 20 7.538 5.202 5.202
133 1HD ARG 20 HD2 ARG 20 8.654 6.745 6.745
134 2HD ARG 20 HD3 ARG 20 9.731 6.064 6.064
135 HE ARG 20 HE ARG 20 9.508 8.256 8.256
136 1HH1 ARG 20 HH22 ARG 20 8.780 8.124 8.124
137 2HH1 ARG 20 HH21 ARG 20 9.098 9.806 9.806
138 1HH2 ARG 20 HH12 ARG 20 9.927 10.476 10.476
139 2HH2 ARG 20 HH11 ARG 20 9.754 11.154 11.154
140 H THR 21 HN THR 21 4.511 6.846 6.846
141 HA THR 21 HA THR 21 4.006 9.412 9.412
142 HB THR 21 HB THR 21 3.182 8.672 8.672
143 HG1 THR 21 HG1 THR 21 1.375 9.847 9.847
144 1HG2 THR 21 HG22 THR 21 2.785 6.200 6.200
145 2HG2 THR 21 HG23 THR 21 1.175 6.841 6.841
146 3HG2 THR 21 HG21 THR 21 1.736 6.839 6.839
147 H LYS 22 HN LYS 22 1.594 9.853 9.853
148 HA LYS 22 HA LYS 22 1.186 8.032 8.032
149 1HB LYS 22 HB2 LYS 22 1.042 9.850 9.850
150 2HB LYS 22 HB3 LYS 22 2.587 9.945 9.945
151 1HG LYS 22 HG2 LYS 22 1.784 11.727 11.727
152 2HG LYS 22 HG3 LYS 22 0.137 11.528 11.528
153 1HD LYS 22 HD2 LYS 22 2.514 12.685 12.685
154 2HD LYS 22 HD3 LYS 22 0.951 13.420 13.420
155 1HE LYS 22 HE2 LYS 22 -0.031 11.474 11.474
156 2HE LYS 22 HE3 LYS 22 1.623 11.172 11.172
157 1HZ LYS 22 HZ3 LYS 22 1.352 13.835 13.835
158 2HZ LYS 22 HZ1 LYS 22 -0.113 13.284 13.284
159 3HZ LYS 22 HZ2 LYS 22 1.238 12.738 12.738
160 H ALA 23 HN ALA 23 -0.861 7.291 7.291
161 HA ALA 23 HA ALA 23 -2.802 8.775 8.775
162 1HB ALA 23 HB1 ALA 23 -2.504 6.362 6.362
163 2HB ALA 23 HB2 ALA 23 -2.889 6.025 6.025
164 3HB ALA 23 HB3 ALA 23 -4.135 6.700 6.700
165 H VAL 24 HN VAL 24 -3.789 10.421 10.421
166 HA VAL 24 HA VAL 24 -4.534 9.893 9.893
167 HB VAL 24 HB VAL 24 -4.776 12.466 12.466
168 1HG1 VAL 24 HG12 VAL 24 -2.332 10.779 10.779
169 2HG1 VAL 24 HG13 VAL 24 -2.083 12.540 12.540
170 3HG1 VAL 24 HG11 VAL 24 -3.091 11.841 11.841
171 1HG2 VAL 24 HG23 VAL 24 -4.467 12.448 12.448
172 2HG2 VAL 24 HG21 VAL 24 -3.654 13.712 13.712
173 3HG2 VAL 24 HG22 VAL 24 -2.731 12.308 12.308
174 H SER 25 HN SER 25 -5.627 10.891 10.891
175 HA SER 25 HA SER 25 -8.346 10.808 10.808
176 1HB SER 25 HB2 SER 25 -8.252 12.962 12.962
177 2HB SER 25 HB3 SER 25 -7.006 12.575 12.575
178 HG SER 25 HG SER 25 -9.194 13.037 13.037
179 H GLU 26 HN GLU 26 -9.993 10.138 10.138
180 HA GLU 26 HA GLU 26 -8.831 8.390 8.390
181 1HB GLU 26 HB2 GLU 26 -10.419 7.370 7.370
182 2HB GLU 26 HB3 GLU 26 -10.462 6.507 6.507
183 1HG GLU 26 HG2 GLU 26 -8.556 5.471 5.471
184 2HG GLU 26 HG3 GLU 26 -7.733 6.977 6.977
185 H LYS 27 HN LYS 27 -10.841 7.205 7.205
186 HA LYS 27 HA LYS 27 -13.131 9.011 9.011
187 1HB LYS 27 HB2 LYS 27 -11.554 9.892 9.892
188 2HB LYS 27 HB3 LYS 27 -11.503 8.330 8.330
189 1HG LYS 27 HG2 LYS 27 -13.636 8.548 8.548
190 2HG LYS 27 HG3 LYS 27 -14.234 9.478 9.478
191 1HD LYS 27 HD2 LYS 27 -13.998 10.797 10.797
192 2HD LYS 27 HD3 LYS 27 -13.180 11.504 11.504
193 1HE LYS 27 HE2 LYS 27 -11.017 10.573 10.573
194 2HE LYS 27 HE3 LYS 27 -11.800 9.710 9.710
195 1HZ LYS 27 HZ1 LYS 27 -12.627 12.148 12.148
196 2HZ LYS 27 HZ2 LYS 27 -11.212 12.518 12.518
197 3HZ LYS 27 HZ3 LYS 27 -11.226 11.560 11.560
198 H GLU 28 HN GLU 28 -14.824 7.708 7.708
199 HA GLU 28 HA GLU 28 -14.633 4.935 4.935
200 1HB GLU 28 HB2 GLU 28 -15.870 5.905 5.905
201 2HB GLU 28 HB3 GLU 28 -17.022 6.639 6.639
202 1HG GLU 28 HG2 GLU 28 -17.002 3.961 3.961
203 2HG GLU 28 HG3 GLU 28 -16.828 3.835 3.835
204 H VAL 29 HN VAL 29 -14.448 4.482 4.482
205 HA VAL 29 HA VAL 29 -16.644 5.480 5.480
206 HB VAL 29 HB VAL 29 -15.146 5.027 5.027
207 1HG1 VAL 29 HG13 VAL 29 -15.044 7.145 7.145
208 2HG1 VAL 29 HG11 VAL 29 -13.333 6.675 6.675
209 3HG1 VAL 29 HG12 VAL 29 -14.265 7.087 7.087
210 1HG2 VAL 29 HG22 VAL 29 -13.625 3.613 3.613
211 2HG2 VAL 29 HG23 VAL 29 -13.460 3.585 3.585
212 3HG2 VAL 29 HG21 VAL 29 -12.610 4.824 4.824
213 H ASP 30 HN ASP 30 -18.265 4.031 4.031
214 HA ASP 30 HA ASP 30 -18.020 1.392 1.392
215 1HB ASP 30 HB2 ASP 30 -20.001 3.049 3.049
216 2HB ASP 30 HB3 ASP 30 -20.141 1.313 1.313
217 H SER 31 HN SER 31 -18.177 -0.579 -0.579
218 HA SER 31 HA SER 31 -17.300 -0.079 -0.079
219 1HB SER 31 HB2 SER 31 -15.180 -0.563 -0.563
220 2HB SER 31 HB3 SER 31 -15.783 -1.532 -1.532
221 HG SER 31 HG SER 31 -15.924 -2.381 -2.381
222 H GLY 32 HN GLY 32 -19.810 -0.985 -0.985
223 1HA GLY 32 HA1 GLY 32 -21.509 -2.393 -2.393
224 2HA GLY 32 HA2 GLY 32 -20.560 -3.074 -3.074
225 H ASN 33 HN ASN 33 -21.911 -4.988 -4.988
226 HA ASN 33 HA ASN 33 -20.605 -5.973 -5.973
227 1HB ASN 33 HB2 ASN 33 -22.537 -7.548 -7.548
228 2HB ASN 33 HB3 ASN 33 -22.284 -7.702 -7.702
229 1HD2 ASN 33 HD22 ASN 33 -24.115 -4.746 -4.746
230 2HD2 ASN 33 HD21 ASN 33 -22.689 -5.654 -5.654
231 H ASP 34 HN ASP 34 -19.752 -8.340 -8.340
232 HA ASP 34 HA ASP 34 -18.103 -8.618 -8.618
233 1HB ASP 34 HB2 ASP 34 -17.450 -8.846 -8.846
234 2HB ASP 34 HB3 ASP 34 -18.020 -10.490 -10.490
235 H ILE 35 HN ILE 35 -17.674 -11.507 -11.507
236 HA ILE 35 HA ILE 35 -20.047 -12.411 -12.411
237 HB ILE 35 HB ILE 35 -17.449 -13.804 -13.804
238 1HG1 ILE 35 HG12 ILE 35 -17.074 -13.427 -13.427
239 2HG1 ILE 35 HG13 ILE 35 -18.381 -12.261 -12.261
240 1HG2 ILE 35 HG22 ILE 35 -19.958 -14.746 -14.746
241 2HG2 ILE 35 HG23 ILE 35 -18.517 -15.064 -15.064
242 3HG2 ILE 35 HG21 ILE 35 -18.589 -15.658 -15.658
243 1HD1 ILE 35 HD13 ILE 35 -16.165 -12.067 -12.067
244 2HD1 ILE 35 HD11 ILE 35 -15.866 -11.492 -11.492
245 3HD1 ILE 35 HD12 ILE 35 -17.178 -10.777 -10.777
246 H TYR 36 HN TYR 36 -19.373 -11.911 -11.911
247 HA TYR 36 HA TYR 36 -20.702 -14.389 -14.389
248 1HB TYR 36 HB2 TYR 36 -18.362 -13.233 -13.233
249 2HB TYR 36 HB3 TYR 36 -19.460 -12.274 -12.274
250 HD1 TYR 36 HD1 TYR 36 -19.343 -15.921 -15.921
251 HD2 TYR 36 HD2 TYR 36 -19.444 -12.988 -12.988
252 HE1 TYR 36 HE1 TYR 36 -19.416 -17.767 -17.767
253 HE2 TYR 36 HE2 TYR 36 -19.516 -14.844 -14.844
254 HH TYR 36 HH TYR 36 -19.792 -16.989 -16.989
255 H GLY 37 HN GLY 37 -21.417 -11.245 -11.245
256 1HA GLY 37 HA1 GLY 37 -23.488 -10.260 -10.260
257 2HA GLY 37 HA2 GLY 37 -23.901 -11.305 -11.305
258 H ASN 38 HN ASN 38 -20.884 -10.415 -10.415
259 HA ASN 38 HA ASN 38 -21.888 -8.486 -8.486
260 1HB ASN 38 HB2 ASN 38 -19.372 -8.403 -8.403
261 2HB ASN 38 HB3 ASN 38 -20.198 -9.934 -9.934
262 1HD2 ASN 38 HD22 ASN 38 -16.953 -10.638 -10.638
263 2HD2 ASN 38 HD21 ASN 38 -17.543 -9.973 -9.973
264 HA PRO 39 HA PRO 39 -20.582 -4.955 -4.955
265 1HB PRO 39 HB2 PRO 39 -20.168 -3.124 -3.124
266 2HB PRO 39 HB3 PRO 39 -21.758 -3.528 -3.528
267 1HG PRO 39 HG2 PRO 39 -20.497 -4.331 -4.331
268 2HG PRO 39 HG3 PRO 39 -22.192 -4.358 -4.358
269 1HD PRO 39 HD2 PRO 39 -20.418 -6.608 -6.608
270 2HD PRO 39 HD3 PRO 39 -22.080 -6.616 -6.616
271 H ILE 40 HN ILE 40 -18.831 -4.374 -4.374
272 HA ILE 40 HA ILE 40 -16.345 -5.324 -5.324
273 HB ILE 40 HB ILE 40 -17.120 -3.576 -3.576
274 1HG1 ILE 40 HG12 ILE 40 -16.424 -6.521 -6.521
275 2HG1 ILE 40 HG13 ILE 40 -18.017 -5.849 -5.849
276 1HG2 ILE 40 HG21 ILE 40 -14.427 -4.756 -4.756
277 2HG2 ILE 40 HG22 ILE 40 -14.849 -4.121 -4.121
278 3HG2 ILE 40 HG23 ILE 40 -14.846 -3.037 -3.037
279 1HD1 ILE 40 HD12 ILE 40 -16.442 -4.600 -4.600
280 2HD1 ILE 40 HD13 ILE 40 -15.797 -6.258 -6.258
281 3HD1 ILE 40 HD11 ILE 40 -17.527 -5.989 -5.989
282 H LYS 41 HN LYS 41 -16.900 -1.945 -1.945
283 HA LYS 41 HA LYS 41 -16.357 0.007 0.007
284 1HB LYS 41 HB2 LYS 41 -17.737 -0.856 -0.856
285 2HB LYS 41 HB3 LYS 41 -16.241 -1.335 -1.335
286 1HG LYS 41 HG2 LYS 41 -15.450 0.935 0.935
287 2HG LYS 41 HG3 LYS 41 -16.648 1.505 1.505
288 1HD LYS 41 HD2 LYS 41 -17.340 0.335 0.335
289 2HD LYS 41 HD3 LYS 41 -17.167 2.051 2.051
290 1HE LYS 41 HE2 LYS 41 -19.138 0.237 0.237
291 2HE LYS 41 HE3 LYS 41 -19.561 1.245 1.245
292 1HZ LYS 41 HZ2 LYS 41 -18.604 3.113 3.113
293 2HZ LYS 41 HZ3 LYS 41 -18.706 2.094 2.094
294 3HZ LYS 41 HZ1 LYS 41 -20.055 2.514 2.514
295 H ARG 42 HN ARG 42 -14.440 1.023 1.023
296 HA ARG 42 HA ARG 42 -12.103 -0.381 -0.381
297 1HB ARG 42 HB2 ARG 42 -11.175 1.025 1.025
298 2HB ARG 42 HB3 ARG 42 -11.471 -0.700 -0.700
299 1HG ARG 42 HG2 ARG 42 -13.892 -0.237 -0.237
300 2HG ARG 42 HG3 ARG 42 -13.456 1.446 1.446
301 1HD ARG 42 HD2 ARG 42 -11.549 0.476 0.476
302 2HD ARG 42 HD3 ARG 42 -12.536 -0.972 -0.972
303 HE ARG 42 HE ARG 42 -14.155 1.369 1.369
304 1HH1 ARG 42 HH22 ARG 42 -11.834 -0.817 -0.817
305 2HH1 ARG 42 HH21 ARG 42 -12.416 -0.542 -0.542
306 1HH2 ARG 42 HH12 ARG 42 -14.922 1.732 1.732
307 2HH2 ARG 42 HH11 ARG 42 -14.184 0.917 0.917
308 H ILE 43 HN ILE 43 -12.564 1.215 1.215
309 HA ILE 43 HA ILE 43 -12.657 3.904 3.904
310 HB ILE 43 HB ILE 43 -11.959 1.937 1.937
311 1HG1 ILE 43 HG12 ILE 43 -12.923 3.828 3.828
312 2HG1 ILE 43 HG13 ILE 43 -13.229 4.673 4.673
313 1HG2 ILE 43 HG22 ILE 43 -10.373 4.514 4.514
314 2HG2 ILE 43 HG23 ILE 43 -10.638 3.462 3.462
315 3HG2 ILE 43 HG21 ILE 43 -9.749 2.847 2.847
316 1HD1 ILE 43 HD11 ILE 43 -14.110 1.937 1.937
317 2HD1 ILE 43 HD12 ILE 43 -14.792 2.594 2.594
318 3HD1 ILE 43 HD13 ILE 43 -15.085 3.426 3.426
319 H GLN 44 HN GLN 44 -11.198 5.646 5.646
320 HA GLN 44 HA GLN 44 -8.850 4.941 4.941
321 1HB GLN 44 HB2 GLN 44 -10.164 7.604 7.604
322 2HB GLN 44 HB3 GLN 44 -8.668 7.489 7.489
323 1HG GLN 44 HG2 GLN 44 -11.433 6.521 6.521
324 2HG GLN 44 HG3 GLN 44 -10.360 7.592 7.592
325 1HE2 GLN 44 HE22 GLN 44 -9.944 3.487 3.487
326 2HE2 GLN 44 HE21 GLN 44 -10.897 4.286 4.286
327 H TYR 45 HN TYR 45 -6.912 6.727 6.727
328 HA TYR 45 HA TYR 45 -6.513 6.658 6.658
329 1HB TYR 45 HB2 TYR 45 -5.017 5.392 5.392
330 2HB TYR 45 HB3 TYR 45 -4.004 6.169 6.169
331 HD1 TYR 45 HD2 TYR 45 -5.919 5.509 5.509
332 HD2 TYR 45 HD1 TYR 45 -4.227 3.156 3.156
333 HE1 TYR 45 HE2 TYR 45 -6.066 3.434 3.434
334 HE2 TYR 45 HE1 TYR 45 -4.380 1.089 1.089
335 HH TYR 45 HH TYR 45 -4.529 1.047 1.047
336 H GLU 46 HN GLU 46 -7.277 8.989 8.989
337 HA GLU 46 HA GLU 46 -5.603 10.609 10.609
338 1HB GLU 46 HB2 GLU 46 -8.037 10.953 10.953
339 2HB GLU 46 HB3 GLU 46 -7.142 11.715 11.715
340 1HG GLU 46 HG2 GLU 46 -6.170 13.352 13.352
341 2HG GLU 46 HG3 GLU 46 -6.686 12.469 12.469
342 H ILE 47 HN ILE 47 -3.472 9.707 9.707
343 HA ILE 47 HA ILE 47 -2.670 10.275 10.275
344 HB ILE 47 HB ILE 47 -0.431 9.695 9.695
345 1HG1 ILE 47 HG12 ILE 47 -1.792 9.900 9.900
346 2HG1 ILE 47 HG13 ILE 47 -0.247 10.547 10.547
347 1HG2 ILE 47 HG21 ILE 47 -2.763 8.052 8.052
348 2HG2 ILE 47 HG22 ILE 47 -1.705 7.470 7.470
349 3HG2 ILE 47 HG23 ILE 47 -1.072 7.617 7.617
350 1HD1 ILE 47 HD11 ILE 47 0.064 7.785 7.785
351 2HD1 ILE 47 HD12 ILE 47 -0.878 7.909 7.909
352 3HD1 ILE 47 HD13 ILE 47 0.694 8.734 8.734
353 H LYS 48 HN LYS 48 -0.215 11.550 11.550
354 HA LYS 48 HA LYS 48 -0.917 14.176 14.176
355 1HB LYS 48 HB2 LYS 48 -1.110 13.743 13.743
356 2HB LYS 48 HB3 LYS 48 0.624 13.989 13.989
357 1HG LYS 48 HG2 LYS 48 -0.371 16.052 16.052
358 2HG LYS 48 HG3 LYS 48 -1.555 15.949 15.949
359 1HD LYS 48 HD2 LYS 48 1.397 16.582 16.582
360 2HD LYS 48 HD3 LYS 48 0.042 17.449 17.449
361 1HE LYS 48 HE2 LYS 48 -0.180 14.946 14.946
362 2HE LYS 48 HE3 LYS 48 1.557 15.139 15.139
363 1HZ LYS 48 HZ3 LYS 48 0.365 17.534 17.534
364 2HZ LYS 48 HZ1 LYS 48 -0.084 16.311 16.311
365 3HZ LYS 48 HZ2 LYS 48 1.500 16.630 16.630
366 H GLN 49 HN GLN 49 1.015 11.525 11.525
367 HA GLN 49 HA GLN 49 2.999 11.116 11.116
368 1HB GLN 49 HB2 GLN 49 2.629 12.088 12.088
369 2HB GLN 49 HB3 GLN 49 2.177 13.634 13.634
370 1HG GLN 49 HG2 GLN 49 4.363 14.419 14.419
371 2HG GLN 49 HG3 GLN 49 5.047 12.830 12.830
372 1HE2 GLN 49 HE22 GLN 49 5.096 11.824 11.824
373 2HE2 GLN 49 HE21 GLN 49 4.845 11.255 11.255
374 H ILE 50 HN ILE 50 4.776 10.916 10.916
375 HA ILE 50 HA ILE 50 5.912 13.400 13.400
376 HB ILE 50 HB ILE 50 5.632 12.741 12.741
377 1HG1 ILE 50 HG12 ILE 50 6.991 10.215 10.215
378 2HG1 ILE 50 HG13 ILE 50 7.627 11.506 11.506
379 1HG2 ILE 50 HG22 ILE 50 3.529 11.769 11.769
380 2HG2 ILE 50 HG23 ILE 50 4.284 10.184 10.184
381 3HG2 ILE 50 HG21 ILE 50 3.912 11.262 11.262
382 1HD1 ILE 50 HD12 ILE 50 5.546 10.765 10.765
383 2HD1 ILE 50 HD13 ILE 50 5.848 9.217 9.217
384 3HD1 ILE 50 HD11 ILE 50 7.149 9.998 9.998
385 H LYS 51 HN LYS 51 6.268 10.256 10.256
386 HA LYS 51 HA LYS 51 8.962 10.946 10.946
387 1HB LYS 51 HB2 LYS 51 8.605 9.396 9.396
388 2HB LYS 51 HB3 LYS 51 9.041 8.247 8.247
389 1HG LYS 51 HG2 LYS 51 10.815 10.285 10.285
390 2HG LYS 51 HG3 LYS 51 10.652 10.465 10.465
391 1HD LYS 51 HD2 LYS 51 11.592 8.378 8.378
392 2HD LYS 51 HD3 LYS 51 11.030 7.670 7.670
393 1HE LYS 51 HE2 LYS 51 12.783 8.677 8.677
394 2HE LYS 51 HE3 LYS 51 13.137 9.860 9.860
395 1HZ LYS 51 HZ1 LYS 51 13.405 7.211 7.211
396 2HZ LYS 51 HZ2 LYS 51 14.375 7.482 7.482
397 3HZ LYS 51 HZ3 LYS 51 14.483 8.438 8.438
398 H MET 52 HN MET 52 9.843 9.295 9.295
399 HA MET 52 HA MET 52 7.756 7.687 7.687
400 1HB MET 52 HB2 MET 52 8.424 8.712 8.712
401 2HB MET 52 HB3 MET 52 7.433 9.718 9.718
402 1HG MET 52 HG2 MET 52 10.452 9.926 9.926
403 2HG MET 52 HG3 MET 52 9.617 10.723 10.723
404 1HE MET 52 HE1 MET 52 11.306 12.316 12.316
405 2HE MET 52 HE2 MET 52 10.185 13.276 13.276
406 3HE MET 52 HE3 MET 52 10.356 13.625 13.625
407 H PHE 53 HN PHE 53 9.404 6.172 6.172
408 HA PHE 53 HA PHE 53 11.977 5.854 5.854
409 1HB PHE 53 HB2 PHE 53 9.581 4.083 4.083
410 2HB PHE 53 HB3 PHE 53 10.965 3.260 3.260
411 HD1 PHE 53 HD2 PHE 53 13.276 4.062 4.062
412 HD2 PHE 53 HD1 PHE 53 9.381 3.831 3.831
413 HE1 PHE 53 HE2 PHE 53 14.272 3.811 3.811
414 HE2 PHE 53 HE1 PHE 53 10.378 3.580 3.580
415 HZ PHE 53 HZ PHE 53 12.811 3.573 3.573
416 H LYS 54 HN LYS 54 9.680 3.813 3.813
417 HA LYS 54 HA LYS 54 11.209 4.540 4.540
418 1HB LYS 54 HB2 LYS 54 11.541 2.146 2.146
419 2HB LYS 54 HB3 LYS 54 10.256 1.745 1.745
420 1HG LYS 54 HG2 LYS 54 12.428 1.345 1.345
421 2HG LYS 54 HG3 LYS 54 11.610 2.662 2.662
422 1HD LYS 54 HD2 LYS 54 13.208 3.700 3.700
423 2HD LYS 54 HD3 LYS 54 14.205 2.703 2.703
424 1HE LYS 54 HE2 LYS 54 14.111 4.198 4.198
425 2HE LYS 54 HE3 LYS 54 12.400 4.504 4.504
426 1HZ LYS 54 HZ2 LYS 54 14.139 5.520 5.520
427 2HZ LYS 54 HZ3 LYS 54 14.262 6.250 6.250
428 3HZ LYS 54 HZ1 LYS 54 12.823 6.204 6.204
429 H GLY 55 HN GLY 55 9.416 6.079 6.079
430 1HA GLY 55 HA1 GLY 55 7.063 4.702 4.702
431 2HA GLY 55 HA2 GLY 55 6.885 6.079 6.079
432 HA PRO 56 HA PRO 56 7.177 7.859 7.859
433 1HB PRO 56 HB2 PRO 56 5.104 9.620 9.620
434 2HB PRO 56 HB3 PRO 56 4.918 8.011 8.011
435 1HG PRO 56 HG2 PRO 56 4.111 9.017 9.017
436 2HG PRO 56 HG3 PRO 56 3.570 7.577 7.577
437 1HD PRO 56 HD2 PRO 56 5.441 7.698 7.698
438 2HD PRO 56 HD3 PRO 56 4.989 6.274 6.274
439 H GLU 57 HN GLU 57 7.003 10.420 10.420
440 HA GLU 57 HA GLU 57 9.004 11.475 11.475
441 1HB GLU 57 HB2 GLU 57 8.138 12.940 12.940
442 2HB GLU 57 HB3 GLU 57 9.738 12.790 12.790
443 1HG GLU 57 HG2 GLU 57 9.675 10.305 10.305
444 2HG GLU 57 HG3 GLU 57 8.202 10.646 10.646
445 H LYS 58 HN LYS 58 5.661 11.998 11.998
446 HA LYS 58 HA LYS 58 5.478 14.594 14.594
447 1HB LYS 58 HB2 LYS 58 4.171 13.497 13.497
448 2HB LYS 58 HB3 LYS 58 3.081 12.971 12.971
449 1HG LYS 58 HG2 LYS 58 2.137 15.033 15.033
450 2HG LYS 58 HG3 LYS 58 3.617 15.669 15.669
451 1HD LYS 58 HD2 LYS 58 3.357 15.214 15.214
452 2HD LYS 58 HD3 LYS 58 2.770 16.688 16.688
453 1HE LYS 58 HE2 LYS 58 5.439 16.134 16.134
454 2HE LYS 58 HE3 LYS 58 5.464 16.047 16.047
455 1HZ LYS 58 HZ2 LYS 58 4.209 18.277 18.277
456 2HZ LYS 58 HZ3 LYS 58 5.782 18.291 18.291
457 3HZ LYS 58 HZ1 LYS 58 4.617 18.207 18.207
458 H ASP 59 HN ASP 59 3.375 11.717 11.717
459 HA ASP 59 HA ASP 59 4.009 10.934 10.934
460 1HB ASP 59 HB2 ASP 59 4.199 13.077 13.077
461 2HB ASP 59 HB3 ASP 59 2.750 13.682 13.682
462 H ILE 60 HN ILE 60 1.935 10.271 10.271
463 HA ILE 60 HA ILE 60 -0.222 9.763 9.763
464 HB ILE 60 HB ILE 60 0.079 8.337 8.337
465 1HG1 ILE 60 HG12 ILE 60 2.341 8.396 8.396
466 2HG1 ILE 60 HG13 ILE 60 1.670 6.791 6.791
467 1HG2 ILE 60 HG22 ILE 60 -1.906 8.043 8.043
468 2HG2 ILE 60 HG23 ILE 60 -0.802 7.339 7.339
469 3HG2 ILE 60 HG21 ILE 60 -1.012 6.550 6.550
470 1HD1 ILE 60 HD13 ILE 60 1.579 8.407 8.407
471 2HD1 ILE 60 HD11 ILE 60 2.678 7.048 7.048
472 3HD1 ILE 60 HD12 ILE 60 0.924 6.767 6.767
473 H GLU 61 HN GLU 61 -0.025 10.054 10.054
474 HA GLU 61 HA GLU 61 -1.107 11.327 11.327
475 1HB GLU 61 HB2 GLU 61 -1.169 12.948 12.948
476 2HB GLU 61 HB3 GLU 61 -2.704 13.119 13.119
477 1HG GLU 61 HG2 GLU 61 -0.994 13.276 13.276
478 2HG GLU 61 HG3 GLU 61 0.034 13.938 13.938
479 H PHE 62 HN PHE 62 -2.498 9.428 9.428
480 HA PHE 62 HA PHE 62 -4.882 9.093 9.093
481 1HB PHE 62 HB2 PHE 62 -4.674 10.405 10.405
482 2HB PHE 62 HB3 PHE 62 -5.785 9.049 9.049
483 HD1 PHE 62 HD1 PHE 62 -7.487 9.025 9.025
484 HD2 PHE 62 HD2 PHE 62 -5.530 12.476 12.476
485 HE1 PHE 62 HE1 PHE 62 -9.279 10.474 10.474
486 HE2 PHE 62 HE2 PHE 62 -7.322 13.926 13.926
487 HZ PHE 62 HZ PHE 62 -9.174 12.908 12.908
488 H ILE 63 HN ILE 63 -4.283 6.977 6.977
489 HA ILE 63 HA ILE 63 -3.718 5.210 5.210
490 HB ILE 63 HB ILE 63 -3.397 4.398 4.398
491 1HG1 ILE 63 HG12 ILE 63 -2.258 6.778 6.778
492 2HG1 ILE 63 HG13 ILE 63 -1.793 5.854 5.854
493 1HG2 ILE 63 HG23 ILE 63 -2.085 3.726 3.726
494 2HG2 ILE 63 HG21 ILE 63 -1.377 3.261 3.261
495 3HG2 ILE 63 HG22 ILE 63 -2.989 2.662 2.662
496 1HD1 ILE 63 HD12 ILE 63 -0.714 5.143 5.143
497 2HD1 ILE 63 HD13 ILE 63 0.055 6.393 6.393
498 3HD1 ILE 63 HD11 ILE 63 -0.048 4.715 4.715
499 H TYR 64 HN TYR 64 -4.634 2.881 2.881
500 HA TYR 64 HA TYR 64 -7.413 3.178 3.178
501 1HB TYR 64 HB2 TYR 64 -7.648 2.810 2.810
502 2HB TYR 64 HB3 TYR 64 -6.028 2.158 2.158
503 HD1 TYR 64 HD2 TYR 64 -5.710 -0.247 -0.247
504 HD2 TYR 64 HD1 TYR 64 -9.441 1.370 1.370
505 HE1 TYR 64 HE2 TYR 64 -6.676 -2.593 -2.593
506 HE2 TYR 64 HE1 TYR 64 -10.395 -0.982 -0.982
507 HH TYR 64 HH TYR 64 -9.730 -3.182 -3.182
508 H THR 65 HN THR 65 -8.424 1.258 1.258
509 HA THR 65 HA THR 65 -6.977 -1.124 -1.124
510 HB THR 65 HB THR 65 -5.642 0.400 0.400
511 HG1 THR 65 HG1 THR 65 -6.348 -1.933 -1.933
512 1HG2 THR 65 HG23 THR 65 -8.412 0.969 0.969
513 2HG2 THR 65 HG21 THR 65 -7.083 0.833 0.833
514 3HG2 THR 65 HG22 THR 65 -7.007 2.055 2.055
515 H ALA 66 HN ALA 66 -8.184 -1.825 -1.825
516 HA ALA 66 HA ALA 66 -10.983 -1.857 -1.857
517 1HB ALA 66 HB3 ALA 66 -9.103 -3.905 -3.905
518 2HB ALA 66 HB1 ALA 66 -10.616 -3.907 -3.907
519 3HB ALA 66 HB2 ALA 66 -10.665 -4.088 -4.088
520 HA PRO 67 HA PRO 67 -11.999 0.182 0.182
521 1HB PRO 67 HB2 PRO 67 -14.632 -0.498 -0.498
522 2HB PRO 67 HB3 PRO 67 -14.075 0.761 0.761
523 1HG PRO 67 HG2 PRO 67 -15.001 -1.969 -1.969
524 2HG PRO 67 HG3 PRO 67 -14.850 -0.579 -0.579
525 1HD PRO 67 HD2 PRO 67 -13.071 -2.824 -2.824
526 2HD PRO 67 HD3 PRO 67 -12.860 -1.380 -1.380
527 H SER 68 HN SER 68 -13.872 -0.510 -0.510
528 HA SER 68 HA SER 68 -13.890 -1.546 -1.546
529 1HB SER 68 HB2 SER 68 -13.557 -3.740 -3.740
530 2HB SER 68 HB3 SER 68 -13.167 -4.185 -4.185
531 HG SER 68 HG SER 68 -15.518 -2.695 -2.695
532 H SER 69 HN SER 69 -12.371 -3.523 -3.523
533 HA SER 69 HA SER 69 -10.011 -2.090 -2.090
534 1HB SER 69 HB2 SER 69 -9.676 -3.590 -3.590
535 2HB SER 69 HB3 SER 69 -11.419 -3.599 -3.599
536 HG SER 69 HG SER 69 -11.341 -5.601 -5.601
537 H ALA 70 HN ALA 70 -9.733 -2.448 -2.448
538 HA ALA 70 HA ALA 70 -8.416 -3.227 -3.227
539 1HB ALA 70 HB3 ALA 70 -6.910 -3.473 -3.473
540 2HB ALA 70 HB1 ALA 70 -6.457 -4.775 -4.775
541 3HB ALA 70 HB2 ALA 70 -6.333 -3.074 -3.074
542 H VAL 71 HN VAL 71 -9.697 -4.626 -4.626
543 HA VAL 71 HA VAL 71 -9.785 -7.394 -7.394
544 HB VAL 71 HB VAL 71 -11.913 -7.562 -7.562
545 1HG1 VAL 71 HG11 VAL 71 -11.528 -5.329 -5.329
546 2HG1 VAL 71 HG12 VAL 71 -12.140 -4.580 -4.580
547 3HG1 VAL 71 HG13 VAL 71 -13.133 -5.776 -5.776
548 1HG2 VAL 71 HG22 VAL 71 -11.041 -5.824 -5.824
549 2HG2 VAL 71 HG23 VAL 71 -11.803 -7.433 -7.433
550 3HG2 VAL 71 HG21 VAL 71 -12.778 -5.990 -5.990
551 H CYS 72 HN CYS 72 -8.823 -5.172 -5.172
552 HA CYS 72 HA CYS 72 -7.636 -7.459 -7.459
553 1HB CYS 72 HB2 CYS 72 -8.910 -5.196 -5.196
554 2HB CYS 72 HB3 CYS 72 -8.270 -6.703 -6.703
555 H GLY 73 HN GLY 73 -7.074 -4.914 -4.914
556 1HA GLY 73 HA1 GLY 73 -4.578 -4.230 -4.230
557 2HA GLY 73 HA2 GLY 73 -5.686 -2.918 -2.918
558 H VAL 74 HN VAL 74 -4.183 -1.947 -1.947
559 HA VAL 74 HA VAL 74 -3.876 -3.490 -3.490
560 HB VAL 74 HB VAL 74 -2.125 -1.417 -1.417
561 1HG1 VAL 74 HG12 VAL 74 -1.945 -2.519 -2.519
562 2HG1 VAL 74 HG13 VAL 74 -0.659 -1.598 -1.598
563 3HG1 VAL 74 HG11 VAL 74 -2.226 -0.827 -0.827
564 1HG2 VAL 74 HG23 VAL 74 -2.071 -3.991 -3.991
565 2HG2 VAL 74 HG21 VAL 74 -0.552 -3.094 -3.094
566 3HG2 VAL 74 HG22 VAL 74 -1.219 -4.086 -4.086
567 H SER 75 HN SER 75 -5.714 -1.144 -1.144
568 HA SER 75 HA SER 75 -6.715 0.715 0.715
569 1HB SER 75 HB2 SER 75 -8.240 0.344 0.344
570 2HB SER 75 HB3 SER 75 -8.111 -1.111 -1.111
571 HG SER 75 HG SER 75 -6.829 -0.561 -0.561
572 H LEU 76 HN LEU 76 -5.057 2.297 2.297
573 HA LEU 76 HA LEU 76 -4.066 2.599 2.599
574 1HB LEU 76 HB2 LEU 76 -2.737 3.986 3.986
575 2HB LEU 76 HB3 LEU 76 -2.064 3.323 3.323
576 HG LEU 76 HG LEU 76 -2.921 1.061 1.061
577 1HD1 LEU 76 HD13 LEU 76 -3.065 2.933 2.933
578 2HD1 LEU 76 HD11 LEU 76 -1.362 2.444 2.444
579 3HD1 LEU 76 HD12 LEU 76 -2.654 1.226 1.226
580 1HD2 LEU 76 HD22 LEU 76 -0.521 2.182 2.182
581 2HD2 LEU 76 HD23 LEU 76 -0.869 0.485 0.485
582 3HD2 LEU 76 HD21 LEU 76 -0.174 1.571 1.571
583 H ASP 77 HN ASP 77 -4.477 4.485 4.485
584 HA ASP 77 HA ASP 77 -5.916 6.502 6.502
585 1HB ASP 77 HB2 ASP 77 -6.907 6.954 6.954
586 2HB ASP 77 HB3 ASP 77 -7.644 5.798 5.798
587 H VAL 78 HN VAL 78 -3.062 5.749 5.749
588 HA VAL 78 HA VAL 78 -1.352 6.942 6.942
589 HB VAL 78 HB VAL 78 -3.131 9.009 9.009
590 1HG1 VAL 78 HG11 VAL 78 -1.238 9.605 9.605
591 2HG1 VAL 78 HG12 VAL 78 -1.347 10.754 10.754
592 3HG1 VAL 78 HG13 VAL 78 -2.800 10.353 10.353
593 1HG2 VAL 78 HG23 VAL 78 -0.843 7.668 7.668
594 2HG2 VAL 78 HG21 VAL 78 -1.512 9.128 9.128
595 3HG2 VAL 78 HG22 VAL 78 -0.228 9.274 9.274
596 H GLY 79 HN GLY 79 -4.437 8.443 8.443
597 1HA GLY 79 HA1 GLY 79 -3.514 9.189 9.189
598 2HA GLY 79 HA2 GLY 79 -5.175 8.817 8.817
599 H GLY 80 HN GLY 80 -3.835 6.012 6.012
600 1HA GLY 80 HA1 GLY 80 -3.973 4.851 4.851
601 2HA GLY 80 HA2 GLY 80 -4.603 4.082 4.082
602 H LYS 81 HN LYS 81 -2.220 5.159 5.159
603 HA LYS 81 HA LYS 81 -0.249 3.240 3.240
604 1HB LYS 81 HB2 LYS 81 0.101 3.634 3.634
605 2HB LYS 81 HB3 LYS 81 -0.339 2.169 2.169
606 1HG LYS 81 HG2 LYS 81 -2.364 4.328 4.328
607 2HG LYS 81 HG3 LYS 81 -2.009 2.956 2.956
608 1HD LYS 81 HD2 LYS 81 -3.038 1.427 1.427
609 2HD LYS 81 HD3 LYS 81 -2.655 2.343 2.343
610 1HE LYS 81 HE2 LYS 81 -4.344 4.123 4.123
611 2HE LYS 81 HE3 LYS 81 -4.869 2.887 2.887
612 1HZ LYS 81 HZ3 LYS 81 -4.684 2.236 2.236
613 2HZ LYS 81 HZ1 LYS 81 -5.973 3.077 3.077
614 3HZ LYS 81 HZ2 LYS 81 -5.656 1.592 1.592
615 H LYS 82 HN LYS 82 0.151 5.471 5.471
616 HA LYS 82 HA LYS 82 1.098 7.713 7.713
617 1HB LYS 82 HB2 LYS 82 3.610 7.279 7.279
618 2HB LYS 82 HB3 LYS 82 2.578 6.781 6.781
619 1HG LYS 82 HG2 LYS 82 2.621 4.558 4.558
620 2HG LYS 82 HG3 LYS 82 4.274 5.141 5.141
621 1HD LYS 82 HD2 LYS 82 4.581 4.220 4.220
622 2HD LYS 82 HD3 LYS 82 3.298 5.214 5.214
623 1HE LYS 82 HE2 LYS 82 1.865 3.450 3.450
624 2HE LYS 82 HE3 LYS 82 2.160 3.031 3.031
625 1HZ LYS 82 HZ1 LYS 82 4.259 2.415 2.415
626 2HZ LYS 82 HZ2 LYS 82 2.908 1.501 1.501
627 3HZ LYS 82 HZ3 LYS 82 3.765 1.581 1.581
628 H GLU 83 HN GLU 83 3.195 5.400 5.400
629 HA GLU 83 HA GLU 83 2.297 6.567 6.567
630 1HB GLU 83 HB2 GLU 83 5.156 6.698 6.698
631 2HB GLU 83 HB3 GLU 83 4.003 8.009 8.009
632 1HG GLU 83 HG2 GLU 83 4.801 6.970 6.970
633 2HG GLU 83 HG3 GLU 83 5.816 8.125 8.125
634 H TYR 84 HN TYR 84 3.358 5.426 5.426
635 HA TYR 84 HA TYR 84 4.613 2.898 2.898
636 1HB TYR 84 HB2 TYR 84 2.797 1.740 1.740
637 2HB TYR 84 HB3 TYR 84 2.171 2.429 2.429
638 HD1 TYR 84 HD2 TYR 84 2.792 3.577 3.577
639 HD2 TYR 84 HD1 TYR 84 0.139 3.521 3.521
640 HE1 TYR 84 HE2 TYR 84 1.071 4.893 4.893
641 HE2 TYR 84 HE1 TYR 84 -1.573 4.839 4.839
642 HH TYR 84 HH TYR 84 -2.072 5.087 5.087
643 H LEU 85 HN LEU 85 5.611 1.862 1.862
644 HA LEU 85 HA LEU 85 6.352 3.811 3.811
645 1HB LEU 85 HB2 LEU 85 7.905 1.990 1.990
646 2HB LEU 85 HB3 LEU 85 8.140 2.602 2.602
647 HG LEU 85 HG LEU 85 8.275 0.049 0.049
648 1HD1 LEU 85 HD12 LEU 85 7.549 1.613 1.613
649 2HD1 LEU 85 HD13 LEU 85 6.610 0.101 0.101
650 3HD1 LEU 85 HD11 LEU 85 8.386 0.043 0.043
651 1HD2 LEU 85 HD21 LEU 85 6.180 -0.172 -0.172
652 2HD2 LEU 85 HD22 LEU 85 6.152 -1.154 -1.154
653 3HD2 LEU 85 HD23 LEU 85 5.270 0.390 0.390
654 H ILE 86 HN ILE 86 3.681 1.935 1.935
655 HA ILE 86 HA ILE 86 2.635 0.457 0.457
656 HB ILE 86 HB ILE 86 2.131 3.297 3.297
657 1HG1 ILE 86 HG12 ILE 86 -0.129 2.614 2.614
658 2HG1 ILE 86 HG13 ILE 86 0.170 1.027 1.027
659 1HG2 ILE 86 HG23 ILE 86 1.722 1.800 1.800
660 2HG2 ILE 86 HG21 ILE 86 0.549 3.041 3.041
661 3HG2 ILE 86 HG22 ILE 86 2.260 3.475 3.475
662 1HD1 ILE 86 HD11 ILE 86 1.990 1.589 1.589
663 2HD1 ILE 86 HD12 ILE 86 0.280 1.704 1.704
664 3HD1 ILE 86 HD13 ILE 86 0.899 0.204 0.204
665 H ALA 87 HN ALA 87 3.826 -0.911 -0.911
666 HA ALA 87 HA ALA 87 4.745 0.255 0.255
667 1HB ALA 87 HB2 ALA 87 6.302 -0.947 -0.947
668 2HB ALA 87 HB3 ALA 87 6.267 -2.082 -2.082
669 3HB ALA 87 HB1 ALA 87 6.838 -0.414 -0.414
670 H GLY 88 HN GLY 88 3.305 -0.447 -0.447
671 1HA GLY 88 HA1 GLY 88 2.752 -3.332 -3.332
672 2HA GLY 88 HA2 GLY 88 1.406 -2.209 -2.209
673 H LYS 89 HN LYS 89 1.557 -3.845 -3.845
674 HA LYS 89 HA LYS 89 3.116 -3.239 -3.239
675 1HB LYS 89 HB2 LYS 89 1.180 -4.935 -4.935
676 2HB LYS 89 HB3 LYS 89 0.145 -3.654 -3.654
677 1HG LYS 89 HG2 LYS 89 0.952 -3.823 -3.823
678 2HG LYS 89 HG3 LYS 89 2.611 -4.001 -4.001
679 1HD LYS 89 HD2 LYS 89 1.673 -6.403 -6.403
680 2HD LYS 89 HD3 LYS 89 0.521 -6.117 -6.117
681 1HE LYS 89 HE2 LYS 89 3.319 -5.509 -5.509
682 2HE LYS 89 HE3 LYS 89 3.077 -7.184 -7.184
683 1HZ LYS 89 HZ2 LYS 89 1.389 -5.750 -5.750
684 2HZ LYS 89 HZ3 LYS 89 2.632 -6.728 -6.728
685 3HZ LYS 89 HZ1 LYS 89 1.323 -7.343 -7.343
686 H ALA 90 HN ALA 90 0.526 -1.264 -1.264
687 HA ALA 90 HA ALA 90 0.233 0.951 0.951
688 1HB ALA 90 HB1 ALA 90 2.704 0.891 0.891
689 2HB ALA 90 HB2 ALA 90 1.945 1.088 1.088
690 3HB ALA 90 HB3 ALA 90 1.690 2.315 2.315
691 H GLU 91 HN GLU 91 -0.610 2.543 2.543
692 HA GLU 91 HA GLU 91 -2.164 0.855 0.855
693 1HB GLU 91 HB2 GLU 91 -3.386 1.799 1.799
694 2HB GLU 91 HB3 GLU 91 -3.415 3.305 3.305
695 1HG GLU 91 HG2 GLU 91 -4.823 0.711 0.711
696 2HG GLU 91 HG3 GLU 91 -5.433 2.350 2.350
697 H GLY 92 HN GLY 92 -0.763 4.057 4.057
698 1HA GLY 92 HA1 GLY 92 0.175 4.598 4.598
699 2HA GLY 92 HA2 GLY 92 -1.419 5.320 5.320
700 H ASP 93 HN ASP 93 -1.105 7.499 7.499
701 HA ASP 93 HA ASP 93 0.821 8.242 8.242
702 1HB ASP 93 HB2 ASP 93 -0.265 9.813 9.813
703 2HB ASP 93 HB3 ASP 93 0.782 10.506 10.506
704 H GLY 94 HN GLY 94 0.029 9.479 9.479
705 1HA GLY 94 HA1 GLY 94 -1.396 10.786 10.786
706 2HA GLY 94 HA2 GLY 94 -2.460 10.918 10.918
707 H LYS 95 HN LYS 95 -1.855 7.656 7.656
708 HA LYS 95 HA LYS 95 -3.396 6.893 6.893
709 1HB LYS 95 HB2 LYS 95 -5.503 6.528 6.528
710 2HB LYS 95 HB3 LYS 95 -5.084 8.000 8.000
711 1HG LYS 95 HG2 LYS 95 -4.704 5.190 5.190
712 2HG LYS 95 HG3 LYS 95 -6.084 6.214 6.214
713 1HD LYS 95 HD2 LYS 95 -3.216 7.109 7.109
714 2HD LYS 95 HD3 LYS 95 -4.163 6.254 6.254
715 1HE LYS 95 HE2 LYS 95 -4.819 8.956 8.956
716 2HE LYS 95 HE3 LYS 95 -4.379 8.653 8.653
717 1HZ LYS 95 HZ2 LYS 95 -6.471 7.039 7.039
718 2HZ LYS 95 HZ3 LYS 95 -6.894 8.277 8.277
719 3HZ LYS 95 HZ1 LYS 95 -6.567 8.556 8.556
720 H MET 96 HN MET 96 -3.204 4.671 4.671
721 HA MET 96 HA MET 96 -2.095 3.144 3.144
722 1HB MET 96 HB2 MET 96 -0.840 2.408 2.408
723 2HB MET 96 HB3 MET 96 -0.064 2.860 2.860
724 1HG MET 96 HG2 MET 96 -0.761 5.327 5.327
725 2HG MET 96 HG3 MET 96 -0.947 4.659 4.659
726 1HE MET 96 HE3 MET 96 0.582 3.662 3.662
727 2HE MET 96 HE1 MET 96 2.356 3.773 3.773
728 3HE MET 96 HE2 MET 96 1.386 5.232 5.232
729 H HIS 97 HN HIS 97 -1.509 0.816 0.816
730 HA HIS 97 HA HIS 97 -4.105 0.236 0.236
731 1HB HIS 97 HB2 HIS 97 -3.193 -0.764 -0.764
732 2HB HIS 97 HB3 HIS 97 -3.362 -2.092 -2.092
733 HD1 HIS 97 HD1 HIS 97 -5.418 -2.892 -2.892
734 HD2 HIS 97 HD2 HIS 97 -5.952 0.758 0.758
735 HE1 HIS 97 HE1 HIS 97 -7.919 -2.391 -2.391
736 H ILE 98 HN ILE 98 -3.852 -0.742 -0.742
737 HA ILE 98 HA ILE 98 -1.468 -2.371 -2.371
738 HB ILE 98 HB ILE 98 -0.859 -1.280 -1.280
739 1HG1 ILE 98 HG12 ILE 98 -3.434 0.214 0.214
740 2HG1 ILE 98 HG13 ILE 98 -2.795 -0.580 -0.580
741 1HG2 ILE 98 HG23 ILE 98 -0.346 -0.284 -0.284
742 2HG2 ILE 98 HG21 ILE 98 -1.208 1.115 1.115
743 3HG2 ILE 98 HG22 ILE 98 0.243 0.479 0.479
744 1HD1 ILE 98 HD13 ILE 98 -0.968 1.522 1.522
745 2HD1 ILE 98 HD11 ILE 98 -2.611 2.171 2.171
746 3HD1 ILE 98 HD12 ILE 98 -1.798 1.330 1.330
747 H THR 99 HN THR 99 -1.738 -4.020 -4.020
748 HA THR 99 HA THR 99 -4.358 -4.174 -4.174
749 HB THR 99 HB THR 99 -4.186 -6.716 -6.716
750 HG1 THR 99 HG1 THR 99 -3.066 -6.658 -6.658
751 1HG2 THR 99 HG21 THR 99 -5.449 -4.228 -4.228
752 2HG2 THR 99 HG22 THR 99 -5.223 -5.507 -5.507
753 3HG2 THR 99 HG23 THR 99 -6.167 -5.836 -5.836
754 H LEU 100 HN LEU 100 -4.443 -6.049 -6.049
755 HA LEU 100 HA LEU 100 -2.294 -5.802 -5.802
756 1HB LEU 100 HB2 LEU 100 -3.505 -7.108 -7.108
757 2HB LEU 100 HB3 LEU 100 -4.764 -6.500 -6.500
758 HG LEU 100 HG LEU 100 -3.468 -9.164 -9.164
759 1HD1 LEU 100 HD13 LEU 100 -5.361 -8.474 -8.474
760 2HD1 LEU 100 HD11 LEU 100 -5.680 -9.962 -9.962
761 3HD1 LEU 100 HD12 LEU 100 -4.119 -9.745 -9.745
762 1HD2 LEU 100 HD21 LEU 100 -4.941 -8.019 -8.019
763 2HD2 LEU 100 HD22 LEU 100 -5.452 -9.654 -9.654
764 3HD2 LEU 100 HD23 LEU 100 -6.289 -8.226 -8.226
765 H CYS 101 HN CYS 101 -3.176 -8.433 -8.433
766 HA CYS 101 HA CYS 101 -1.066 -10.104 -10.104
767 1HB CYS 101 HB2 CYS 101 -3.221 -10.306 -10.306
768 2HB CYS 101 HB3 CYS 101 -1.975 -10.073 -10.073
769 H ASP 102 HN ASP 102 -1.334 -7.172 -7.172
770 HA ASP 102 HA ASP 102 1.085 -7.583 -7.583
771 1HB ASP 102 HB2 ASP 102 -1.011 -5.962 -5.962
772 2HB ASP 102 HB3 ASP 102 -0.056 -4.835 -4.835
773 H PHE 103 HN PHE 103 2.954 -5.871 -5.871
774 HA PHE 103 HA PHE 103 3.859 -5.962 -5.962
775 1HB PHE 103 HB2 PHE 103 5.423 -6.042 -6.042
776 2HB PHE 103 HB3 PHE 103 4.695 -4.637 -4.637
777 HD1 PHE 103 HD2 PHE 103 5.226 -4.431 -4.431
778 HD2 PHE 103 HD1 PHE 103 7.016 -3.754 -3.754
779 HE1 PHE 103 HE2 PHE 103 6.952 -2.961 -2.961
780 HE2 PHE 103 HE1 PHE 103 8.741 -2.283 -2.283
781 HZ PHE 103 HZ PHE 103 8.688 -1.905 -1.905
782 H ILE 104 HN ILE 104 3.193 -4.656 -4.656
783 HA ILE 104 HA ILE 104 3.237 -1.837 -1.837
784 HB ILE 104 HB ILE 104 0.773 -1.661 -1.661
785 1HG1 ILE 104 HG12 ILE 104 0.614 -4.277 -4.277
786 2HG1 ILE 104 HG13 ILE 104 0.489 -4.142 -4.142
787 1HG2 ILE 104 HG23 ILE 104 2.058 -1.230 -1.230
788 2HG2 ILE 104 HG21 ILE 104 0.748 -2.331 -2.331
789 3HG2 ILE 104 HG22 ILE 104 0.363 -0.806 -0.806
790 1HD1 ILE 104 HD13 ILE 104 -1.427 -2.479 -2.479
791 2HD1 ILE 104 HD11 ILE 104 -1.377 -2.935 -2.935
792 3HD1 ILE 104 HD12 ILE 104 -1.765 -4.158 -4.158
793 H VAL 105 HN VAL 105 3.864 -0.958 -0.958
794 HA VAL 105 HA VAL 105 3.051 -2.246 -2.246
795 HB VAL 105 HB VAL 105 5.777 -1.866 -1.866
796 1HG1 VAL 105 HG11 VAL 105 3.949 -3.736 -3.736
797 2HG1 VAL 105 HG12 VAL 105 4.825 -4.611 -4.611
798 3HG1 VAL 105 HG13 VAL 105 5.701 -4.012 -4.012
799 1HG2 VAL 105 HG22 VAL 105 5.268 -3.161 -3.161
800 2HG2 VAL 105 HG23 VAL 105 6.303 -1.759 -1.759
801 3HG2 VAL 105 HG21 VAL 105 6.770 -3.381 -3.381
802 HA PRO 106 HA PRO 106 3.222 1.866 1.866
803 1HB PRO 106 HB2 PRO 106 3.555 1.622 1.622
804 2HB PRO 106 HB3 PRO 106 2.011 1.405 1.405
805 1HG PRO 106 HG2 PRO 106 3.826 -0.645 -0.645
806 2HG PRO 106 HG3 PRO 106 2.127 -0.787 -0.787
807 1HD PRO 106 HD2 PRO 106 4.344 -1.789 -1.789
808 2HD PRO 106 HD3 PRO 106 2.655 -1.828 -1.828
809 H TRP 107 HN TRP 107 5.876 0.149 0.149
810 HA TRP 107 HA TRP 107 7.996 0.783 0.783
811 1HB TRP 107 HB2 TRP 107 6.885 3.094 3.094
812 2HB TRP 107 HB3 TRP 107 7.457 3.495 3.495
813 HD1 TRP 107 HD1 TRP 107 9.312 1.643 1.643
814 HE1 TRP 107 HE1 TRP 107 11.649 2.777 2.777
815 HE3 TRP 107 HE3 TRP 107 8.802 5.332 5.332
816 HZ2 TRP 107 HZ2 TRP 107 12.992 5.038 5.038
817 HZ3 TRP 107 HZ3 TRP 107 10.673 6.962 6.962
818 HH2 TRP 107 HH2 TRP 107 12.714 6.857 6.857
819 H ASP 108 HN ASP 108 6.586 2.328 2.328
820 HA ASP 108 HA ASP 108 8.846 1.760 1.760
821 1HB ASP 108 HB2 ASP 108 7.226 3.529 3.529
822 2HB ASP 108 HB3 ASP 108 5.953 2.340 2.340
823 H THR 109 HN THR 109 8.394 -0.654 -0.654
824 HA THR 109 HA THR 109 7.830 -2.394 -2.394
825 HB THR 109 HB THR 109 6.038 -3.635 -3.635
826 HG1 THR 109 HG1 THR 109 6.234 -0.977 -0.977
827 1HG2 THR 109 HG23 THR 109 5.479 -2.026 -2.026
828 2HG2 THR 109 HG21 THR 109 5.253 -0.768 -0.768
829 3HG2 THR 109 HG22 THR 109 4.210 -2.209 -2.209
830 H LEU 110 HN LEU 110 8.165 -2.244 -2.244
831 HA LEU 110 HA LEU 110 9.049 -4.178 -4.178
832 1HB LEU 110 HB2 LEU 110 11.248 -2.250 -2.250
833 2HB LEU 110 HB3 LEU 110 11.250 -3.332 -3.332
834 HG LEU 110 HG LEU 110 9.217 -1.122 -1.122
835 1HD1 LEU 110 HD13 LEU 110 11.589 -0.300 -0.300
836 2HD1 LEU 110 HD11 LEU 110 11.636 -1.035 -1.035
837 3HD1 LEU 110 HD12 LEU 110 10.476 0.268 0.268
838 1HD2 LEU 110 HD22 LEU 110 9.199 -3.337 -3.337
839 2HD2 LEU 110 HD23 LEU 110 8.187 -1.877 -1.877
840 3HD2 LEU 110 HD21 LEU 110 9.716 -1.974 -1.974
841 H SER 111 HN SER 111 12.108 -3.655 -3.655
842 HA SER 111 HA SER 111 12.354 -5.006 -5.006
843 1HB SER 111 HB2 SER 111 11.417 -6.987 -6.987
844 2HB SER 111 HB3 SER 111 12.642 -7.526 -7.526
845 HG SER 111 HG SER 111 10.862 -7.951 -7.951
846 H THR 112 HN THR 112 13.253 -5.370 -5.370
847 HA THR 112 HA THR 112 15.705 -4.348 -4.348
848 HB THR 112 HB THR 112 15.674 -6.925 -6.925
849 HG1 THR 112 HG1 THR 112 17.358 -5.714 -5.714
850 1HG2 THR 112 HG21 THR 112 17.675 -6.338 -6.338
851 2HG2 THR 112 HG22 THR 112 18.130 -7.280 -7.280
852 3HG2 THR 112 HG23 THR 112 16.851 -7.875 -7.875
853 H THR 113 HN THR 113 14.665 -7.723 -7.723
854 HA THR 113 HA THR 113 15.767 -7.762 -7.762
855 HB THR 113 HB THR 113 13.220 -9.046 -9.046
856 HG1 THR 113 HG1 THR 113 16.012 -9.852 -9.852
857 1HG2 THR 113 HG23 THR 113 14.391 -9.162 -9.162
858 2HG2 THR 113 HG21 THR 113 14.563 -10.735 -10.735
859 3HG2 THR 113 HG22 THR 113 12.951 -10.005 -10.005
860 H GLN 114 HN GLN 114 13.057 -5.872 -5.872
861 HA GLN 114 HA GLN 114 12.089 -5.495 -5.495
862 1HB GLN 114 HB2 GLN 114 11.190 -4.710 -4.710
863 2HB GLN 114 HB3 GLN 114 10.636 -3.726 -3.726
864 1HG GLN 114 HG2 GLN 114 8.973 -5.292 -5.292
865 2HG GLN 114 HG3 GLN 114 10.177 -6.224 -6.224
866 1HE2 GLN 114 HE22 GLN 114 11.122 -8.160 -8.160
867 2HE2 GLN 114 HE21 GLN 114 11.872 -7.160 -7.160
868 H LYS 115 HN LYS 115 14.046 -3.836 -3.836
869 HA LYS 115 HA LYS 115 14.036 -1.323 -1.323
870 1HB LYS 115 HB2 LYS 115 15.193 -2.525 -2.525
871 2HB LYS 115 HB3 LYS 115 16.285 -1.399 -1.399
872 1HG LYS 115 HG2 LYS 115 14.895 0.428 0.428
873 2HG LYS 115 HG3 LYS 115 13.427 -0.518 -0.518
874 1HD LYS 115 HD2 LYS 115 15.304 -0.345 -0.345
875 2HD LYS 115 HD3 LYS 115 13.625 0.150 0.150
876 1HE LYS 115 HE2 LYS 115 13.134 -2.371 -2.371
877 2HE LYS 115 HE3 LYS 115 14.750 -2.673 -2.673
878 1HZ LYS 115 HZ1 LYS 115 13.889 -1.250 -1.250
879 2HZ LYS 115 HZ2 LYS 115 12.417 -1.723 -1.723
880 3HZ LYS 115 HZ3 LYS 115 13.524 -2.840 -2.840
881 H LYS 116 HN LYS 116 16.120 -4.248 -4.248
882 HA LYS 116 HA LYS 116 18.190 -3.097 -3.097
883 1HB LYS 116 HB2 LYS 116 19.051 -5.273 -5.273
884 2HB LYS 116 HB3 LYS 116 18.214 -5.237 -5.237
885 1HG LYS 116 HG2 LYS 116 17.121 -7.101 -7.101
886 2HG LYS 116 HG3 LYS 116 16.186 -6.026 -6.026
887 1HD LYS 116 HD2 LYS 116 18.835 -6.784 -6.784
888 2HD LYS 116 HD3 LYS 116 17.733 -8.131 -8.131
889 1HE LYS 116 HE2 LYS 116 16.543 -7.493 -7.493
890 2HE LYS 116 HE3 LYS 116 16.230 -5.924 -5.924
891 1HZ LYS 116 HZ1 LYS 116 18.803 -6.508 -6.508
892 2HZ LYS 116 HZ2 LYS 116 17.526 -6.007 -6.007
893 3HZ LYS 116 HZ3 LYS 116 18.124 -5.053 -5.053
894 H SER 117 HN SER 117 14.927 -3.855 -3.855
895 HA SER 117 HA SER 117 15.606 -4.152 -4.152
896 1HB SER 117 HB2 SER 117 13.680 -5.381 -5.381
897 2HB SER 117 HB3 SER 117 12.742 -4.202 -4.202
898 HG SER 117 HG SER 117 13.971 -6.549 -6.549
899 H LEU 118 HN LEU 118 14.885 -1.756 -1.756
900 HA LEU 118 HA LEU 118 13.317 -0.115 -0.115
901 1HB LEU 118 HB2 LEU 118 14.248 0.144 0.144
902 2HB LEU 118 HB3 LEU 118 13.577 1.511 1.511
903 HG LEU 118 HG LEU 118 11.958 -0.977 -0.977
904 1HD1 LEU 118 HD13 LEU 118 12.856 0.231 0.231
905 2HD1 LEU 118 HD11 LEU 118 11.090 0.076 0.076
906 3HD1 LEU 118 HD12 LEU 118 12.128 -1.360 -1.360
907 1HD2 LEU 118 HD21 LEU 118 11.605 1.773 1.773
908 2HD2 LEU 118 HD22 LEU 118 10.398 0.467 0.467
909 3HD2 LEU 118 HD23 LEU 118 10.588 1.394 1.394
910 H ASN 119 HN ASN 119 16.652 -0.640 -0.640
911 HA ASN 119 HA ASN 119 17.559 1.898 1.898
912 1HB ASN 119 HB2 ASN 119 19.826 0.871 0.871
913 2HB ASN 119 HB3 ASN 119 18.825 0.481 0.481
914 1HD2 ASN 119 HD22 ASN 119 19.816 -2.392 -2.392
915 2HD2 ASN 119 HD21 ASN 119 19.841 -0.699 -0.699
916 H HIS 120 HN HIS 120 16.860 -1.214 -1.214
917 HA HIS 120 HA HIS 120 18.370 -0.515 -0.515
918 1HB HIS 120 HB2 HIS 120 17.218 -2.963 -2.963
919 2HB HIS 120 HB3 HIS 120 17.022 -2.845 -2.845
920 HD1 HIS 120 HD1 HIS 120 18.884 -4.987 -4.987
921 HD2 HIS 120 HD2 HIS 120 20.176 -1.222 -1.222
922 HE1 HIS 120 HE1 HIS 120 21.377 -5.219 -5.219
923 H ARG 121 HN ARG 121 17.272 -0.621 -0.621
924 HA ARG 121 HA ARG 121 15.435 1.217 1.217
925 1HB ARG 121 HB2 ARG 121 16.229 -1.202 -1.202
926 2HB ARG 121 HB3 ARG 121 14.625 -0.629 -0.629
927 1HG ARG 121 HG2 ARG 121 17.246 0.917 0.917
928 2HG ARG 121 HG3 ARG 121 16.171 0.512 0.512
929 1HD ARG 121 HD2 ARG 121 14.414 1.911 1.911
930 2HD ARG 121 HD3 ARG 121 15.897 2.667 2.667
931 HE ARG 121 HE ARG 121 16.042 3.754 3.754
932 1HH1 ARG 121 HH22 ARG 121 14.044 0.885 0.885
933 2HH1 ARG 121 HH21 ARG 121 13.642 1.233 1.233
934 1HH2 ARG 121 HH12 ARG 121 15.513 4.215 4.215
935 2HH2 ARG 121 HH11 ARG 121 14.483 3.139 3.139
936 H TYR 122 HN TYR 122 14.126 -2.025 -2.025
937 HA TYR 122 HA TYR 122 12.181 -1.930 -1.930
938 1HB TYR 122 HB2 TYR 122 10.316 -1.460 -1.460
939 2HB TYR 122 HB3 TYR 122 11.541 -0.388 -0.388
940 HD1 TYR 122 HD1 TYR 122 13.205 -1.916 -1.916
941 HD2 TYR 122 HD2 TYR 122 9.010 -2.382 -2.382
942 HE1 TYR 122 HE1 TYR 122 12.938 -2.999 -2.999
943 HE2 TYR 122 HE2 TYR 122 8.757 -3.463 -3.463
944 HH TYR 122 HH TYR 122 9.915 -3.454 -3.454
945 H GLN 123 HN GLN 123 14.357 -3.596 -3.596
946 HA GLN 123 HA GLN 123 13.444 -6.049 -6.049
947 1HB GLN 123 HB2 GLN 123 11.666 -5.589 -5.589
948 2HB GLN 123 HB3 GLN 123 12.938 -5.623 -5.623
949 1HG GLN 123 HG2 GLN 123 13.312 -7.963 -7.963
950 2HG GLN 123 HG3 GLN 123 11.587 -7.857 -7.857
951 1HE2 GLN 123 HE22 GLN 123 11.683 -8.723 -8.723
952 2HE2 GLN 123 HE21 GLN 123 10.769 -8.272 -8.272
953 H MET 124 HN MET 124 15.857 -4.802 -4.802
954 HA MET 124 HA MET 124 17.565 -5.283 -5.283
955 1HB MET 124 HB2 MET 124 17.783 -4.530 -4.530
956 2HB MET 124 HB3 MET 124 19.236 -5.189 -5.189
957 1HG MET 124 HG2 MET 124 17.990 -3.220 -3.220
958 2HG MET 124 HG3 MET 124 18.296 -2.522 -2.522
959 1HE MET 124 HE2 MET 124 19.293 -1.715 -1.715
960 2HE MET 124 HE3 MET 124 21.068 -1.591 -1.591
961 3HE MET 124 HE1 MET 124 20.257 -2.969 -2.969
962 H GLY 125 HN GLY 125 16.361 -7.636 -7.636
963 1HA GLY 125 HA1 GLY 125 16.768 -9.849 -9.849
964 2HA GLY 125 HA2 GLY 125 18.408 -9.524 -9.524
965 H CYS 126 HN CYS 126 16.179 -8.055 -8.055
966 HA CYS 126 HA CYS 126 16.940 -9.697 -9.697
967 1HB CYS 126 HB2 CYS 126 15.768 -8.280 -8.280
968 2HB CYS 126 HB3 CYS 126 15.995 -7.259 -7.259
969 H GLU 127 HN GLU 127 15.352 -11.007 -11.007
970 HA GLU 127 HA GLU 127 12.945 -11.869 -11.869
971 1HB GLU 127 HB2 GLU 127 14.475 -12.956 -12.956
972 2HB GLU 127 HB3 GLU 127 15.206 -13.878 -13.878
973 1HG GLU 127 HG2 GLU 127 13.601 -15.433 -15.433
974 2HG GLU 127 HG3 GLU 127 12.547 -14.404 -14.404
Start of MODEL 26
1 H CYS 1 HN CYS 1 -6.892 -9.895 -9.895
2 HA CYS 1 HA CYS 1 -9.047 -8.650 -8.650
3 1HB CYS 1 HB2 CYS 1 -9.513 -11.001 -11.001
4 2HB CYS 1 HB3 CYS 1 -10.651 -10.421 -10.421
5 H SER 2 HN SER 2 -9.645 -11.927 -11.927
6 HA SER 2 HA SER 2 -8.389 -12.279 -12.279
7 1HB SER 2 HB2 SER 2 -9.228 -14.803 -14.803
8 2HB SER 2 HB3 SER 2 -10.007 -13.841 -13.841
9 HG SER 2 HG SER 2 -11.185 -14.383 -14.383
10 H CYS 3 HN CYS 3 -6.290 -11.608 -11.608
11 HA CYS 3 HA CYS 3 -5.070 -14.114 -14.114
12 1HB CYS 3 HB2 CYS 3 -5.195 -11.811 -11.811
13 2HB CYS 3 HB3 CYS 3 -3.740 -11.480 -11.480
14 H SER 4 HN SER 4 -2.761 -14.489 -14.489
15 HA SER 4 HA SER 4 -2.463 -13.574 -13.574
16 1HB SER 4 HB2 SER 4 -1.026 -15.490 -15.490
17 2HB SER 4 HB3 SER 4 -2.453 -16.042 -16.042
18 HG SER 4 HG SER 4 0.228 -15.892 -15.892
19 HA PRO 5 HA PRO 5 0.714 -10.998 -10.998
20 1HB PRO 5 HB2 PRO 5 1.010 -9.381 -9.381
21 2HB PRO 5 HB3 PRO 5 -0.171 -9.083 -9.083
22 1HG PRO 5 HG2 PRO 5 -0.597 -10.143 -10.143
23 2HG PRO 5 HG3 PRO 5 -1.768 -9.447 -9.447
24 1HD PRO 5 HD2 PRO 5 -1.404 -12.232 -12.232
25 2HD PRO 5 HD3 PRO 5 -2.494 -11.543 -11.543
26 H VAL 6 HN VAL 6 2.818 -11.417 -11.417
27 HA VAL 6 HA VAL 6 4.332 -11.995 -11.995
28 HB VAL 6 HB VAL 6 3.207 -14.152 -14.152
29 1HG1 VAL 6 HG13 VAL 6 4.110 -13.475 -13.475
30 2HG1 VAL 6 HG11 VAL 6 4.892 -14.996 -14.996
31 3HG1 VAL 6 HG12 VAL 6 3.118 -14.857 -14.857
32 1HG2 VAL 6 HG22 VAL 6 6.100 -13.678 -13.678
33 2HG2 VAL 6 HG23 VAL 6 5.002 -14.739 -14.739
34 3HG2 VAL 6 HG21 VAL 6 5.683 -15.288 -15.288
35 H HIS 7 HN HIS 7 6.088 -13.550 -13.550
36 HA HIS 7 HA HIS 7 7.989 -12.901 -12.901
37 1HB HIS 7 HB2 HIS 7 7.411 -11.380 -11.380
38 2HB HIS 7 HB3 HIS 7 6.909 -13.057 -13.057
39 HD1 HIS 7 HD1 HIS 7 4.492 -13.461 -13.461
40 HD2 HIS 7 HD2 HIS 7 5.191 -9.564 -9.564
41 HE1 HIS 7 HE1 HIS 7 2.249 -12.249 -12.249
42 HA PRO 8 HA PRO 8 8.645 -9.024 -9.024
43 1HB PRO 8 HB2 PRO 8 10.943 -9.752 -9.752
44 2HB PRO 8 HB3 PRO 8 9.351 -9.932 -9.932
45 1HG PRO 8 HG2 PRO 8 11.118 -12.011 -12.011
46 2HG PRO 8 HG3 PRO 8 9.748 -12.203 -12.203
47 1HD PRO 8 HD2 PRO 8 9.803 -12.722 -12.722
48 2HD PRO 8 HD3 PRO 8 8.405 -12.803 -12.803
49 H GLN 9 HN GLN 9 9.930 -10.546 -10.546
50 HA GLN 9 HA GLN 9 11.622 -8.237 -8.237
51 1HB GLN 9 HB2 GLN 9 13.143 -10.040 -10.040
52 2HB GLN 9 HB3 GLN 9 12.419 -11.143 -11.143
53 1HG GLN 9 HG2 GLN 9 13.820 -10.403 -10.403
54 2HG GLN 9 HG3 GLN 9 13.178 -8.780 -8.780
55 1HE2 GLN 9 HE22 GLN 9 15.621 -7.852 -7.852
56 2HE2 GLN 9 HE21 GLN 9 13.903 -7.885 -7.885
57 H GLN 10 HN GLN 10 9.945 -11.155 -11.155
58 HA GLN 10 HA GLN 10 10.112 -10.416 -10.416
59 1HB GLN 10 HB2 GLN 10 9.180 -12.461 -12.461
60 2HB GLN 10 HB3 GLN 10 8.903 -12.487 -12.487
61 1HG GLN 10 HG2 GLN 10 6.714 -12.718 -12.718
62 2HG GLN 10 HG3 GLN 10 6.797 -10.978 -10.978
63 1HE2 GLN 10 HE22 GLN 10 5.328 -11.782 -11.782
64 2HE2 GLN 10 HE21 GLN 10 4.974 -12.141 -12.141
65 H ALA 11 HN ALA 11 8.568 -8.805 -8.805
66 HA ALA 11 HA ALA 11 6.264 -7.928 -7.928
67 1HB ALA 11 HB1 ALA 11 7.269 -7.854 -7.854
68 2HB ALA 11 HB2 ALA 11 6.631 -6.272 -6.272
69 3HB ALA 11 HB3 ALA 11 5.598 -7.720 -7.720
70 H PHE 12 HN PHE 12 9.580 -6.843 -6.843
71 HA PHE 12 HA PHE 12 9.048 -4.258 -4.258
72 1HB PHE 12 HB2 PHE 12 11.510 -5.647 -5.647
73 2HB PHE 12 HB3 PHE 12 11.525 -3.985 -3.985
74 HD1 PHE 12 HD1 PHE 12 9.108 -5.960 -5.960
75 HD2 PHE 12 HD2 PHE 12 11.621 -2.550 -2.550
76 HE1 PHE 12 HE1 PHE 12 8.317 -5.199 -5.199
77 HE2 PHE 12 HE2 PHE 12 10.829 -1.790 -1.790
78 HZ PHE 12 HZ PHE 12 9.186 -3.124 -3.124
79 H CYS 13 HN CYS 13 9.414 -7.239 -7.239
80 HA CYS 13 HA CYS 13 11.212 -6.286 -6.286
81 1HB CYS 13 HB2 CYS 13 10.910 -8.926 -8.926
82 2HB CYS 13 HB3 CYS 13 11.154 -8.948 -8.948
83 H ASN 14 HN ASN 14 8.003 -6.896 -6.896
84 HA ASN 14 HA ASN 14 7.231 -7.652 -7.652
85 1HB ASN 14 HB2 ASN 14 6.323 -8.476 -8.476
86 2HB ASN 14 HB3 ASN 14 5.052 -7.417 -7.417
87 1HD2 ASN 14 HD22 ASN 14 5.778 -11.092 -11.092
88 2HD2 ASN 14 HD21 ASN 14 6.806 -10.371 -10.371
89 H ALA 15 HN ALA 15 6.783 -5.255 -5.255
90 HA ALA 15 HA ALA 15 4.777 -3.713 -3.713
91 1HB ALA 15 HB3 ALA 15 7.190 -2.943 -2.943
92 2HB ALA 15 HB1 ALA 15 5.771 -1.903 -1.903
93 3HB ALA 15 HB2 ALA 15 5.590 -3.450 -3.450
94 H ASP 16 HN ASP 16 5.160 -1.335 -1.335
95 HA ASP 16 HA ASP 16 7.461 -1.190 -1.190
96 1HB ASP 16 HB2 ASP 16 4.618 -1.499 -1.499
97 2HB ASP 16 HB3 ASP 16 5.566 -0.293 -0.293
98 H VAL 17 HN VAL 17 5.892 0.112 0.112
99 HA VAL 17 HA VAL 17 6.574 2.784 2.784
100 HB VAL 17 HB VAL 17 4.444 2.569 2.569
101 1HG1 VAL 17 HG11 VAL 17 3.583 1.048 1.048
102 2HG1 VAL 17 HG12 VAL 17 2.770 2.601 2.601
103 3HG1 VAL 17 HG13 VAL 17 2.529 1.767 1.767
104 1HG2 VAL 17 HG21 VAL 17 5.331 4.660 4.660
105 2HG2 VAL 17 HG22 VAL 17 3.821 4.705 4.705
106 3HG2 VAL 17 HG23 VAL 17 3.767 4.407 4.407
107 H VAL 18 HN VAL 18 7.856 2.508 2.508
108 HA VAL 18 HA VAL 18 6.364 1.984 1.984
109 HB VAL 18 HB VAL 18 9.322 2.278 2.278
110 1HG1 VAL 18 HG11 VAL 18 7.260 1.096 1.096
111 2HG1 VAL 18 HG12 VAL 18 8.528 -0.091 -0.091
112 3HG1 VAL 18 HG13 VAL 18 8.962 1.456 1.456
113 1HG2 VAL 18 HG23 VAL 18 8.477 0.924 0.924
114 2HG2 VAL 18 HG21 VAL 18 9.819 0.304 0.304
115 3HG2 VAL 18 HG22 VAL 18 8.180 -0.356 -0.356
116 H ILE 19 HN ILE 19 5.659 3.700 3.700
117 HA ILE 19 HA ILE 19 7.384 6.041 6.041
118 HB ILE 19 HB ILE 19 5.676 7.580 7.580
119 1HG1 ILE 19 HG12 ILE 19 3.874 5.219 5.219
120 2HG1 ILE 19 HG13 ILE 19 3.646 6.873 6.873
121 1HG2 ILE 19 HG23 ILE 19 6.973 6.388 6.388
122 2HG2 ILE 19 HG21 ILE 19 5.489 5.450 5.450
123 3HG2 ILE 19 HG22 ILE 19 5.475 7.221 7.221
124 1HD1 ILE 19 HD13 ILE 19 3.555 7.475 7.475
125 2HD1 ILE 19 HD11 ILE 19 3.303 5.730 5.730
126 3HD1 ILE 19 HD12 ILE 19 2.144 6.669 6.669
127 H ARG 20 HN ARG 20 7.600 6.699 6.699
128 HA ARG 20 HA ARG 20 6.095 5.317 5.317
129 1HB ARG 20 HB2 ARG 20 8.563 6.054 6.054
130 2HB ARG 20 HB3 ARG 20 7.977 7.684 7.684
131 1HG ARG 20 HG2 ARG 20 6.533 5.882 5.882
132 2HG ARG 20 HG3 ARG 20 8.250 5.566 5.566
133 1HD ARG 20 HD2 ARG 20 6.868 8.275 8.275
134 2HD ARG 20 HD3 ARG 20 7.583 7.319 7.319
135 HE ARG 20 HE ARG 20 9.442 8.002 8.002
136 1HH1 ARG 20 HH22 ARG 20 8.131 8.952 8.952
137 2HH1 ARG 20 HH21 ARG 20 9.476 9.968 9.968
138 1HH2 ARG 20 HH11 ARG 20 11.242 10.193 10.193
139 2HH2 ARG 20 HH12 ARG 20 11.217 9.343 9.343
140 H THR 21 HN THR 21 4.385 6.883 6.883
141 HA THR 21 HA THR 21 3.807 9.422 9.422
142 HB THR 21 HB THR 21 3.062 8.717 8.717
143 HG1 THR 21 HG1 THR 21 1.650 10.058 10.058
144 1HG2 THR 21 HG23 THR 21 2.717 6.224 6.224
145 2HG2 THR 21 HG21 THR 21 1.118 6.779 6.779
146 3HG2 THR 21 HG22 THR 21 1.559 6.905 6.905
147 H LYS 22 HN LYS 22 1.628 9.994 9.994
148 HA LYS 22 HA LYS 22 1.096 8.045 8.045
149 1HB LYS 22 HB2 LYS 22 0.850 9.886 9.886
150 2HB LYS 22 HB3 LYS 22 2.451 9.902 9.902
151 1HG LYS 22 HG2 LYS 22 1.822 11.699 11.699
152 2HG LYS 22 HG3 LYS 22 0.141 11.592 11.592
153 1HD LYS 22 HD2 LYS 22 2.493 12.615 12.615
154 2HD LYS 22 HD3 LYS 22 1.018 13.464 13.464
155 1HE LYS 22 HE2 LYS 22 -0.240 11.681 11.681
156 2HE LYS 22 HE3 LYS 22 1.329 11.175 11.175
157 1HZ LYS 22 HZ1 LYS 22 0.575 13.990 13.990
158 2HZ LYS 22 HZ2 LYS 22 0.046 12.952 12.952
159 3HZ LYS 22 HZ3 LYS 22 1.648 13.176 13.176
160 H ALA 23 HN ALA 23 -0.955 7.308 7.308
161 HA ALA 23 HA ALA 23 -2.884 8.762 8.762
162 1HB ALA 23 HB3 ALA 23 -2.595 6.354 6.354
163 2HB ALA 23 HB1 ALA 23 -2.955 6.031 6.031
164 3HB ALA 23 HB2 ALA 23 -4.220 6.686 6.686
165 H VAL 24 HN VAL 24 -3.767 10.477 10.477
166 HA VAL 24 HA VAL 24 -4.569 9.983 9.983
167 HB VAL 24 HB VAL 24 -4.826 12.558 12.558
168 1HG1 VAL 24 HG11 VAL 24 -2.391 10.875 10.875
169 2HG1 VAL 24 HG12 VAL 24 -2.128 12.629 12.629
170 3HG1 VAL 24 HG13 VAL 24 -3.158 11.987 11.987
171 1HG2 VAL 24 HG22 VAL 24 -4.540 12.574 12.574
172 2HG2 VAL 24 HG23 VAL 24 -3.557 13.744 13.744
173 3HG2 VAL 24 HG21 VAL 24 -2.814 12.252 12.252
174 H SER 25 HN SER 25 -5.664 10.947 10.947
175 HA SER 25 HA SER 25 -8.383 10.846 10.846
176 1HB SER 25 HB2 SER 25 -8.297 12.998 12.998
177 2HB SER 25 HB3 SER 25 -7.055 12.607 12.607
178 HG SER 25 HG SER 25 -8.997 12.975 12.975
179 H GLU 26 HN GLU 26 -10.020 10.176 10.176
180 HA GLU 26 HA GLU 26 -8.844 8.417 8.417
181 1HB GLU 26 HB2 GLU 26 -10.385 7.401 7.401
182 2HB GLU 26 HB3 GLU 26 -10.497 6.542 6.542
183 1HG GLU 26 HG2 GLU 26 -8.567 5.489 5.489
184 2HG GLU 26 HG3 GLU 26 -7.743 7.004 7.004
185 H LYS 27 HN LYS 27 -10.897 7.168 7.168
186 HA LYS 27 HA LYS 27 -13.177 8.978 8.978
187 1HB LYS 27 HB2 LYS 27 -11.563 9.808 9.808
188 2HB LYS 27 HB3 LYS 27 -11.614 8.246 8.246
189 1HG LYS 27 HG2 LYS 27 -13.749 8.575 8.575
190 2HG LYS 27 HG3 LYS 27 -14.276 9.501 9.501
191 1HD LYS 27 HD2 LYS 27 -14.052 10.853 10.853
192 2HD LYS 27 HD3 LYS 27 -13.161 11.500 11.500
193 1HE LYS 27 HE2 LYS 27 -11.068 10.455 10.455
194 2HE LYS 27 HE3 LYS 27 -11.941 9.718 9.718
195 1HZ LYS 27 HZ2 LYS 27 -12.612 12.289 12.289
196 2HZ LYS 27 HZ3 LYS 27 -11.079 12.419 12.419
197 3HZ LYS 27 HZ1 LYS 27 -11.390 11.577 11.577
198 H GLU 28 HN GLU 28 -14.865 7.676 7.676
199 HA GLU 28 HA GLU 28 -14.662 4.896 4.896
200 1HB GLU 28 HB2 GLU 28 -15.866 5.865 5.865
201 2HB GLU 28 HB3 GLU 28 -17.042 6.592 6.592
202 1HG GLU 28 HG2 GLU 28 -17.022 3.909 3.909
203 2HG GLU 28 HG3 GLU 28 -16.824 3.793 3.793
204 H VAL 29 HN VAL 29 -14.478 4.498 4.498
205 HA VAL 29 HA VAL 29 -16.735 5.443 5.443
206 HB VAL 29 HB VAL 29 -15.277 5.064 5.064
207 1HG1 VAL 29 HG11 VAL 29 -15.187 7.165 7.165
208 2HG1 VAL 29 HG12 VAL 29 -13.479 6.663 6.663
209 3HG1 VAL 29 HG13 VAL 29 -14.247 7.078 7.078
210 1HG2 VAL 29 HG21 VAL 29 -13.956 3.194 3.194
211 2HG2 VAL 29 HG22 VAL 29 -12.942 4.453 4.453
212 3HG2 VAL 29 HG23 VAL 29 -13.102 4.372 4.372
213 H ASP 30 HN ASP 30 -18.183 3.983 3.983
214 HA ASP 30 HA ASP 30 -17.969 1.331 1.331
215 1HB ASP 30 HB2 ASP 30 -19.932 2.978 2.978
216 2HB ASP 30 HB3 ASP 30 -20.023 1.247 1.247
217 H SER 31 HN SER 31 -18.094 -0.618 -0.618
218 HA SER 31 HA SER 31 -17.099 -0.062 -0.062
219 1HB SER 31 HB2 SER 31 -15.017 -0.521 -0.521
220 2HB SER 31 HB3 SER 31 -15.683 -1.623 -1.623
221 HG SER 31 HG SER 31 -15.830 -2.313 -2.313
222 H GLY 32 HN GLY 32 -19.657 -1.023 -1.023
223 1HA GLY 32 HA1 GLY 32 -21.330 -2.398 -2.398
224 2HA GLY 32 HA2 GLY 32 -20.249 -3.155 -3.155
225 H ASN 33 HN ASN 33 -21.823 -4.940 -4.940
226 HA ASN 33 HA ASN 33 -20.718 -5.828 -5.828
227 1HB ASN 33 HB2 ASN 33 -22.599 -7.416 -7.416
228 2HB ASN 33 HB3 ASN 33 -22.454 -7.510 -7.510
229 1HD2 ASN 33 HD22 ASN 33 -24.540 -4.810 -4.810
230 2HD2 ASN 33 HD21 ASN 33 -23.360 -5.953 -5.953
231 H ASP 34 HN ASP 34 -19.978 -8.233 -8.233
232 HA ASP 34 HA ASP 34 -18.184 -8.719 -8.719
233 1HB ASP 34 HB2 ASP 34 -17.719 -8.804 -8.804
234 2HB ASP 34 HB3 ASP 34 -18.330 -10.439 -10.439
235 H ILE 35 HN ILE 35 -17.890 -11.595 -11.595
236 HA ILE 35 HA ILE 35 -20.204 -12.498 -12.498
237 HB ILE 35 HB ILE 35 -17.704 -13.921 -13.921
238 1HG1 ILE 35 HG12 ILE 35 -17.159 -13.754 -13.754
239 2HG1 ILE 35 HG13 ILE 35 -18.459 -12.586 -12.586
240 1HG2 ILE 35 HG22 ILE 35 -20.174 -14.892 -14.892
241 2HG2 ILE 35 HG23 ILE 35 -18.696 -15.323 -15.323
242 3HG2 ILE 35 HG21 ILE 35 -18.867 -15.781 -15.781
243 1HD1 ILE 35 HD11 ILE 35 -16.356 -12.218 -12.218
244 2HD1 ILE 35 HD12 ILE 35 -15.996 -11.754 -11.754
245 3HD1 ILE 35 HD13 ILE 35 -17.353 -10.991 -10.991
246 H TYR 36 HN TYR 36 -19.703 -11.829 -11.829
247 HA TYR 36 HA TYR 36 -21.213 -14.182 -14.182
248 1HB TYR 36 HB2 TYR 36 -18.864 -13.114 -13.114
249 2HB TYR 36 HB3 TYR 36 -19.956 -12.037 -12.037
250 HD1 TYR 36 HD1 TYR 36 -19.612 -15.729 -15.729
251 HD2 TYR 36 HD2 TYR 36 -20.506 -12.621 -12.621
252 HE1 TYR 36 HE1 TYR 36 -19.900 -17.460 -17.460
253 HE2 TYR 36 HE2 TYR 36 -20.791 -14.362 -14.362
254 HH TYR 36 HH TYR 36 -19.659 -16.994 -16.994
255 H GLY 37 HN GLY 37 -21.722 -11.091 -11.091
256 1HA GLY 37 HA1 GLY 37 -23.736 -9.985 -9.985
257 2HA GLY 37 HA2 GLY 37 -24.276 -10.921 -10.921
258 H ASN 38 HN ASN 38 -21.277 -10.136 -10.136
259 HA ASN 38 HA ASN 38 -22.266 -8.060 -8.060
260 1HB ASN 38 HB2 ASN 38 -19.770 -8.034 -8.034
261 2HB ASN 38 HB3 ASN 38 -20.676 -9.509 -9.509
262 1HD2 ASN 38 HD22 ASN 38 -17.390 -10.419 -10.419
263 2HD2 ASN 38 HD21 ASN 38 -17.990 -9.606 -9.606
264 HA PRO 39 HA PRO 39 -20.734 -4.718 -4.718
265 1HB PRO 39 HB2 PRO 39 -20.368 -2.781 -2.781
266 2HB PRO 39 HB3 PRO 39 -21.935 -3.175 -3.175
267 1HG PRO 39 HG2 PRO 39 -20.842 -3.858 -3.858
268 2HG PRO 39 HG3 PRO 39 -22.511 -3.862 -3.862
269 1HD PRO 39 HD2 PRO 39 -20.820 -6.151 -6.151
270 2HD PRO 39 HD3 PRO 39 -22.451 -6.143 -6.143
271 H ILE 40 HN ILE 40 -18.905 -4.272 -4.272
272 HA ILE 40 HA ILE 40 -16.513 -5.257 -5.257
273 HB ILE 40 HB ILE 40 -17.147 -3.542 -3.542
274 1HG1 ILE 40 HG12 ILE 40 -16.434 -6.468 -6.468
275 2HG1 ILE 40 HG13 ILE 40 -17.992 -5.813 -5.813
276 1HG2 ILE 40 HG23 ILE 40 -14.882 -3.006 -3.006
277 2HG2 ILE 40 HG21 ILE 40 -14.464 -4.735 -4.735
278 3HG2 ILE 40 HG22 ILE 40 -14.863 -3.879 -3.879
279 1HD1 ILE 40 HD13 ILE 40 -16.473 -4.621 -4.621
280 2HD1 ILE 40 HD11 ILE 40 -15.479 -6.067 -6.067
281 3HD1 ILE 40 HD12 ILE 40 -17.176 -6.243 -6.243
282 H LYS 41 HN LYS 41 -16.793 -1.881 -1.881
283 HA LYS 41 HA LYS 41 -16.279 0.062 0.062
284 1HB LYS 41 HB2 LYS 41 -17.726 -0.684 -0.684
285 2HB LYS 41 HB3 LYS 41 -16.312 -1.345 -1.345
286 1HG LYS 41 HG2 LYS 41 -15.331 0.797 0.797
287 2HG LYS 41 HG3 LYS 41 -16.305 1.545 1.545
288 1HD LYS 41 HD2 LYS 41 -17.483 0.414 0.414
289 2HD LYS 41 HD3 LYS 41 -16.998 2.089 2.089
290 1HE LYS 41 HE2 LYS 41 -19.106 0.646 0.646
291 2HE LYS 41 HE3 LYS 41 -19.422 1.840 1.840
292 1HZ LYS 41 HZ1 LYS 41 -17.600 2.922 2.922
293 2HZ LYS 41 HZ2 LYS 41 -18.817 2.280 2.280
294 3HZ LYS 41 HZ3 LYS 41 -19.140 3.390 3.390
295 H ARG 42 HN ARG 42 -14.334 1.075 1.075
296 HA ARG 42 HA ARG 42 -12.055 -0.415 -0.415
297 1HB ARG 42 HB2 ARG 42 -11.052 0.997 0.997
298 2HB ARG 42 HB3 ARG 42 -11.372 -0.725 -0.725
299 1HG ARG 42 HG2 ARG 42 -13.766 -0.237 -0.237
300 2HG ARG 42 HG3 ARG 42 -13.320 1.447 1.447
301 1HD ARG 42 HD2 ARG 42 -11.378 0.490 0.490
302 2HD ARG 42 HD3 ARG 42 -12.379 -0.947 -0.947
303 HE ARG 42 HE ARG 42 -13.841 0.196 0.196
304 1HH1 ARG 42 HH22 ARG 42 -11.947 2.551 2.551
305 2HH1 ARG 42 HH21 ARG 42 -12.587 3.913 3.913
306 1HH2 ARG 42 HH12 ARG 42 -14.686 1.993 1.993
307 2HH2 ARG 42 HH11 ARG 42 -14.155 3.594 3.594
308 H ILE 43 HN ILE 43 -12.672 1.238 1.238
309 HA ILE 43 HA ILE 43 -12.665 3.891 3.891
310 HB ILE 43 HB ILE 43 -11.946 1.894 1.894
311 1HG1 ILE 43 HG12 ILE 43 -12.921 3.767 3.767
312 2HG1 ILE 43 HG13 ILE 43 -13.258 4.608 4.608
313 1HG2 ILE 43 HG22 ILE 43 -10.410 4.501 4.501
314 2HG2 ILE 43 HG23 ILE 43 -10.623 3.375 3.375
315 3HG2 ILE 43 HG21 ILE 43 -9.742 2.853 2.853
316 1HD1 ILE 43 HD13 ILE 43 -14.104 1.888 1.888
317 2HD1 ILE 43 HD11 ILE 43 -14.735 2.448 2.448
318 3HD1 ILE 43 HD12 ILE 43 -15.116 3.350 3.350
319 H GLN 44 HN GLN 44 -11.254 5.625 5.625
320 HA GLN 44 HA GLN 44 -8.891 4.934 4.934
321 1HB GLN 44 HB2 GLN 44 -10.211 7.594 7.594
322 2HB GLN 44 HB3 GLN 44 -8.726 7.477 7.477
323 1HG GLN 44 HG2 GLN 44 -11.495 6.490 6.490
324 2HG GLN 44 HG3 GLN 44 -10.442 7.568 7.568
325 1HE2 GLN 44 HE22 GLN 44 -9.984 3.466 3.466
326 2HE2 GLN 44 HE21 GLN 44 -10.924 4.260 4.260
327 H TYR 45 HN TYR 45 -6.976 6.764 6.764
328 HA TYR 45 HA TYR 45 -6.564 6.698 6.698
329 1HB TYR 45 HB2 TYR 45 -5.102 5.389 5.389
330 2HB TYR 45 HB3 TYR 45 -4.054 6.244 6.244
331 HD1 TYR 45 HD2 TYR 45 -5.748 5.688 5.688
332 HD2 TYR 45 HD1 TYR 45 -4.347 3.170 3.170
333 HE1 TYR 45 HE2 TYR 45 -5.789 3.685 3.685
334 HE2 TYR 45 HE1 TYR 45 -4.391 1.177 1.177
335 HH TYR 45 HH TYR 45 -4.796 1.562 1.562
336 H GLU 46 HN GLU 46 -7.316 9.019 9.019
337 HA GLU 46 HA GLU 46 -5.683 10.656 10.656
338 1HB GLU 46 HB2 GLU 46 -8.107 10.974 10.974
339 2HB GLU 46 HB3 GLU 46 -7.185 11.759 11.759
340 1HG GLU 46 HG2 GLU 46 -6.248 13.373 13.373
341 2HG GLU 46 HG3 GLU 46 -6.843 12.483 12.483
342 H ILE 47 HN ILE 47 -3.574 9.632 9.632
343 HA ILE 47 HA ILE 47 -2.744 10.281 10.281
344 HB ILE 47 HB ILE 47 -0.531 9.607 9.607
345 1HG1 ILE 47 HG12 ILE 47 -1.846 9.835 9.835
346 2HG1 ILE 47 HG13 ILE 47 -0.282 10.422 10.422
347 1HG2 ILE 47 HG23 ILE 47 -2.897 8.040 8.040
348 2HG2 ILE 47 HG21 ILE 47 -1.896 7.421 7.421
349 3HG2 ILE 47 HG22 ILE 47 -1.217 7.539 7.539
350 1HD1 ILE 47 HD11 ILE 47 -0.168 7.617 7.617
351 2HD1 ILE 47 HD12 ILE 47 -0.971 7.848 7.848
352 3HD1 ILE 47 HD13 ILE 47 0.638 8.554 8.554
353 H LYS 48 HN LYS 48 -0.265 11.494 11.494
354 HA LYS 48 HA LYS 48 -0.914 14.107 14.107
355 1HB LYS 48 HB2 LYS 48 -1.084 13.751 13.751
356 2HB LYS 48 HB3 LYS 48 0.658 13.917 13.917
357 1HG LYS 48 HG2 LYS 48 -0.296 15.985 15.985
358 2HG LYS 48 HG3 LYS 48 -1.422 15.971 15.971
359 1HD LYS 48 HD2 LYS 48 1.577 16.417 16.417
360 2HD LYS 48 HD3 LYS 48 0.312 17.429 17.429
361 1HE LYS 48 HE2 LYS 48 -0.038 14.977 14.977
362 2HE LYS 48 HE3 LYS 48 1.703 15.132 15.132
363 1HZ LYS 48 HZ2 LYS 48 0.246 17.495 17.495
364 2HZ LYS 48 HZ3 LYS 48 0.319 16.284 16.284
365 3HZ LYS 48 HZ1 LYS 48 1.695 16.944 16.944
366 H GLN 49 HN GLN 49 0.843 11.459 11.459
367 HA GLN 49 HA GLN 49 2.902 10.973 10.973
368 1HB GLN 49 HB2 GLN 49 2.150 13.431 13.431
369 2HB GLN 49 HB3 GLN 49 3.700 12.662 12.662
370 1HG GLN 49 HG2 GLN 49 1.150 11.013 11.013
371 2HG GLN 49 HG3 GLN 49 1.628 11.889 11.889
372 1HE2 GLN 49 HE22 GLN 49 4.858 10.074 10.074
373 2HE2 GLN 49 HE21 GLN 49 4.327 11.713 11.713
374 H ILE 50 HN ILE 50 4.538 11.016 11.016
375 HA ILE 50 HA ILE 50 5.676 13.658 13.658
376 HB ILE 50 HB ILE 50 5.659 13.201 13.201
377 1HG1 ILE 50 HG12 ILE 50 6.808 10.555 10.555
378 2HG1 ILE 50 HG13 ILE 50 7.527 11.832 11.832
379 1HG2 ILE 50 HG21 ILE 50 3.406 12.303 12.303
380 2HG2 ILE 50 HG22 ILE 50 4.059 10.701 10.701
381 3HG2 ILE 50 HG23 ILE 50 3.870 11.941 11.941
382 1HD1 ILE 50 HD13 ILE 50 5.702 11.321 11.321
383 2HD1 ILE 50 HD11 ILE 50 5.396 9.835 9.835
384 3HD1 ILE 50 HD12 ILE 50 6.995 10.114 10.114
385 H LYS 51 HN LYS 51 6.219 10.260 10.260
386 HA LYS 51 HA LYS 51 8.875 11.053 11.053
387 1HB LYS 51 HB2 LYS 51 8.488 9.561 9.561
388 2HB LYS 51 HB3 LYS 51 8.972 8.392 8.392
389 1HG LYS 51 HG2 LYS 51 10.714 10.465 10.465
390 2HG LYS 51 HG3 LYS 51 10.520 10.647 10.647
391 1HD LYS 51 HD2 LYS 51 11.566 8.639 8.639
392 2HD LYS 51 HD3 LYS 51 10.928 7.841 7.841
393 1HE LYS 51 HE2 LYS 51 12.587 8.820 8.820
394 2HE LYS 51 HE3 LYS 51 13.035 10.022 10.022
395 1HZ LYS 51 HZ2 LYS 51 13.319 7.265 7.265
396 2HZ LYS 51 HZ3 LYS 51 14.366 7.798 7.798
397 3HZ LYS 51 HZ1 LYS 51 14.282 8.544 8.544
398 H MET 52 HN MET 52 9.769 9.466 9.466
399 HA MET 52 HA MET 52 7.732 7.752 7.752
400 1HB MET 52 HB2 MET 52 8.074 8.730 8.730
401 2HB MET 52 HB3 MET 52 7.516 9.969 9.969
402 1HG MET 52 HG2 MET 52 9.370 11.207 11.207
403 2HG MET 52 HG3 MET 52 10.388 9.917 9.917
404 1HE MET 52 HE2 MET 52 10.530 12.157 12.157
405 2HE MET 52 HE3 MET 52 11.054 11.524 11.524
406 3HE MET 52 HE1 MET 52 9.322 11.769 11.769
407 H PHE 53 HN PHE 53 9.444 6.333 6.333
408 HA PHE 53 HA PHE 53 12.019 6.070 6.070
409 1HB PHE 53 HB2 PHE 53 9.727 4.050 4.050
410 2HB PHE 53 HB3 PHE 53 11.374 3.479 3.479
411 HD1 PHE 53 HD2 PHE 53 13.041 4.854 4.854
412 HD2 PHE 53 HD1 PHE 53 8.928 4.003 4.003
413 HE1 PHE 53 HE2 PHE 53 13.368 5.044 5.044
414 HE2 PHE 53 HE1 PHE 53 9.254 4.192 4.192
415 HZ PHE 53 HZ PHE 53 11.471 4.710 4.710
416 H LYS 54 HN LYS 54 9.801 3.842 3.842
417 HA LYS 54 HA LYS 54 11.327 4.482 4.482
418 1HB LYS 54 HB2 LYS 54 12.105 2.355 2.355
419 2HB LYS 54 HB3 LYS 54 10.470 1.772 1.772
420 1HG LYS 54 HG2 LYS 54 11.426 0.874 0.874
421 2HG LYS 54 HG3 LYS 54 10.047 1.899 1.899
422 1HD LYS 54 HD2 LYS 54 11.650 3.821 3.821
423 2HD LYS 54 HD3 LYS 54 12.985 2.708 2.708
424 1HE LYS 54 HE2 LYS 54 11.413 1.339 1.339
425 2HE LYS 54 HE3 LYS 54 11.130 3.005 3.005
426 1HZ LYS 54 HZ3 LYS 54 13.849 2.068 2.068
427 2HZ LYS 54 HZ1 LYS 54 13.134 1.796 1.796
428 3HZ LYS 54 HZ2 LYS 54 13.352 3.326 3.326
429 H GLY 55 HN GLY 55 9.558 6.102 6.102
430 1HA GLY 55 HA1 GLY 55 7.126 4.782 4.782
431 2HA GLY 55 HA2 GLY 55 7.094 6.292 6.292
432 HA PRO 56 HA PRO 56 7.490 7.397 7.397
433 1HB PRO 56 HB2 PRO 56 5.368 9.115 9.115
434 2HB PRO 56 HB3 PRO 56 5.258 7.421 7.421
435 1HG PRO 56 HG2 PRO 56 4.267 8.779 8.779
436 2HG PRO 56 HG3 PRO 56 3.810 7.216 7.216
437 1HD PRO 56 HD2 PRO 56 5.540 7.708 7.708
438 2HD PRO 56 HD3 PRO 56 5.174 6.153 6.153
439 H GLU 57 HN GLU 57 7.041 9.961 9.961
440 HA GLU 57 HA GLU 57 9.020 11.275 11.275
441 1HB GLU 57 HB2 GLU 57 8.179 12.390 12.390
442 2HB GLU 57 HB3 GLU 57 9.760 12.392 12.392
443 1HG GLU 57 HG2 GLU 57 9.838 9.860 9.860
444 2HG GLU 57 HG3 GLU 57 8.360 10.000 10.000
445 H LYS 58 HN LYS 58 5.708 11.540 11.540
446 HA LYS 58 HA LYS 58 5.359 14.243 14.243
447 1HB LYS 58 HB2 LYS 58 4.119 12.751 12.751
448 2HB LYS 58 HB3 LYS 58 3.062 12.379 12.379
449 1HG LYS 58 HG2 LYS 58 1.987 14.315 14.315
450 2HG LYS 58 HG3 LYS 58 3.299 15.114 15.114
451 1HD LYS 58 HD2 LYS 58 3.360 14.441 14.441
452 2HD LYS 58 HD3 LYS 58 2.858 15.996 15.996
453 1HE LYS 58 HE2 LYS 58 5.171 15.997 15.997
454 2HE LYS 58 HE3 LYS 58 5.613 14.719 14.719
455 1HZ LYS 58 HZ3 LYS 58 4.759 16.342 16.342
456 2HZ LYS 58 HZ1 LYS 58 4.928 17.487 17.487
457 3HZ LYS 58 HZ2 LYS 58 6.224 16.620 16.620
458 H ASP 59 HN ASP 59 3.384 11.425 11.425
459 HA ASP 59 HA ASP 59 4.052 11.033 11.033
460 1HB ASP 59 HB2 ASP 59 4.220 13.346 13.346
461 2HB ASP 59 HB3 ASP 59 2.697 13.753 13.753
462 H ILE 60 HN ILE 60 2.095 10.382 10.382
463 HA ILE 60 HA ILE 60 -0.182 9.776 9.776
464 HB ILE 60 HB ILE 60 0.307 8.347 8.347
465 1HG1 ILE 60 HG12 ILE 60 2.539 8.476 8.476
466 2HG1 ILE 60 HG13 ILE 60 1.912 6.843 6.843
467 1HG2 ILE 60 HG23 ILE 60 -1.666 8.065 8.065
468 2HG2 ILE 60 HG21 ILE 60 -0.484 7.139 7.139
469 3HG2 ILE 60 HG22 ILE 60 -0.886 6.625 6.625
470 1HD1 ILE 60 HD13 ILE 60 1.008 8.004 8.004
471 2HD1 ILE 60 HD11 ILE 60 2.765 8.247 8.247
472 3HD1 ILE 60 HD12 ILE 60 2.083 6.606 6.606
473 H GLU 61 HN GLU 61 0.155 9.875 9.875
474 HA GLU 61 HA GLU 61 -0.815 11.126 11.126
475 1HB GLU 61 HB2 GLU 61 -0.885 12.878 12.878
476 2HB GLU 61 HB3 GLU 61 -2.453 12.988 12.988
477 1HG GLU 61 HG2 GLU 61 -0.809 13.040 13.040
478 2HG GLU 61 HG3 GLU 61 0.233 13.806 13.806
479 H PHE 62 HN PHE 62 -2.361 9.407 9.407
480 HA PHE 62 HA PHE 62 -4.704 9.075 9.075
481 1HB PHE 62 HB2 PHE 62 -4.503 10.382 10.382
482 2HB PHE 62 HB3 PHE 62 -5.582 9.003 9.003
483 HD1 PHE 62 HD1 PHE 62 -7.353 8.906 8.906
484 HD2 PHE 62 HD2 PHE 62 -5.384 12.429 12.429
485 HE1 PHE 62 HE1 PHE 62 -9.197 10.299 10.299
486 HE2 PHE 62 HE2 PHE 62 -7.226 13.823 13.823
487 HZ PHE 62 HZ PHE 62 -9.110 12.742 12.742
488 H ILE 63 HN ILE 63 -4.202 6.953 6.953
489 HA ILE 63 HA ILE 63 -3.656 5.139 5.139
490 HB ILE 63 HB ILE 63 -3.351 4.335 4.335
491 1HG1 ILE 63 HG12 ILE 63 -2.215 6.724 6.724
492 2HG1 ILE 63 HG13 ILE 63 -1.731 5.764 5.764
493 1HG2 ILE 63 HG21 ILE 63 -2.022 3.680 3.680
494 2HG2 ILE 63 HG22 ILE 63 -1.313 3.212 3.212
495 3HG2 ILE 63 HG23 ILE 63 -2.923 2.608 2.608
496 1HD1 ILE 63 HD11 ILE 63 -0.673 5.101 5.101
497 2HD1 ILE 63 HD12 ILE 63 0.083 6.373 6.373
498 3HD1 ILE 63 HD13 ILE 63 0.027 4.698 4.698
499 H TYR 64 HN TYR 64 -4.606 2.820 2.820
500 HA TYR 64 HA TYR 64 -7.369 3.181 3.181
501 1HB TYR 64 HB2 TYR 64 -7.725 2.829 2.829
502 2HB TYR 64 HB3 TYR 64 -6.091 2.242 2.242
503 HD1 TYR 64 HD2 TYR 64 -5.640 -0.185 -0.185
504 HD2 TYR 64 HD1 TYR 64 -9.473 1.334 1.334
505 HE1 TYR 64 HE2 TYR 64 -6.529 -2.559 -2.559
506 HE2 TYR 64 HE1 TYR 64 -10.349 -1.045 -1.045
507 HH TYR 64 HH TYR 64 -9.653 -3.202 -3.202
508 H THR 65 HN THR 65 -8.371 1.332 1.332
509 HA THR 65 HA THR 65 -6.931 -1.101 -1.101
510 HB THR 65 HB THR 65 -5.616 0.385 0.385
511 HG1 THR 65 HG1 THR 65 -6.315 -1.935 -1.935
512 1HG2 THR 65 HG22 THR 65 -8.392 1.018 1.018
513 2HG2 THR 65 HG23 THR 65 -7.130 0.796 0.796
514 3HG2 THR 65 HG21 THR 65 -6.939 2.047 2.047
515 H ALA 66 HN ALA 66 -8.148 -1.921 -1.921
516 HA ALA 66 HA ALA 66 -10.937 -1.947 -1.947
517 1HB ALA 66 HB3 ALA 66 -9.046 -3.977 -3.977
518 2HB ALA 66 HB1 ALA 66 -10.547 -3.999 -3.999
519 3HB ALA 66 HB2 ALA 66 -10.615 -4.174 -4.174
520 HA PRO 67 HA PRO 67 -12.061 0.044 0.044
521 1HB PRO 67 HB2 PRO 67 -14.676 -0.712 -0.712
522 2HB PRO 67 HB3 PRO 67 -14.143 0.564 0.564
523 1HG PRO 67 HG2 PRO 67 -14.983 -2.191 -2.191
524 2HG PRO 67 HG3 PRO 67 -14.862 -0.796 -0.796
525 1HD PRO 67 HD2 PRO 67 -13.020 -2.989 -2.989
526 2HD PRO 67 HD3 PRO 67 -12.840 -1.540 -1.540
527 H SER 68 HN SER 68 -13.940 -0.710 -0.710
528 HA SER 68 HA SER 68 -13.972 -1.765 -1.765
529 1HB SER 68 HB2 SER 68 -13.396 -3.955 -3.955
530 2HB SER 68 HB3 SER 68 -13.143 -4.353 -4.353
531 HG SER 68 HG SER 68 -15.558 -3.652 -3.652
532 H SER 69 HN SER 69 -12.387 -3.650 -3.650
533 HA SER 69 HA SER 69 -10.132 -2.091 -2.091
534 1HB SER 69 HB2 SER 69 -11.580 -4.047 -4.047
535 2HB SER 69 HB3 SER 69 -10.108 -4.915 -4.915
536 HG SER 69 HG SER 69 -10.468 -2.604 -2.604
537 H ALA 70 HN ALA 70 -9.696 -2.346 -2.346
538 HA ALA 70 HA ALA 70 -8.346 -3.075 -3.075
539 1HB ALA 70 HB2 ALA 70 -6.802 -2.598 -2.598
540 2HB ALA 70 HB3 ALA 70 -6.471 -4.337 -4.337
541 3HB ALA 70 HB1 ALA 70 -6.133 -3.224 -3.224
542 H VAL 71 HN VAL 71 -9.555 -4.620 -4.620
543 HA VAL 71 HA VAL 71 -9.359 -7.356 -7.356
544 HB VAL 71 HB VAL 71 -11.458 -7.691 -7.691
545 1HG1 VAL 71 HG12 VAL 71 -11.412 -5.385 -5.385
546 2HG1 VAL 71 HG13 VAL 71 -11.710 -4.716 -4.716
547 3HG1 VAL 71 HG11 VAL 71 -12.883 -5.841 -5.841
548 1HG2 VAL 71 HG23 VAL 71 -10.879 -6.012 -6.012
549 2HG2 VAL 71 HG21 VAL 71 -10.927 -7.788 -7.788
550 3HG2 VAL 71 HG22 VAL 71 -12.421 -6.842 -6.842
551 H CYS 72 HN CYS 72 -9.058 -5.296 -5.296
552 HA CYS 72 HA CYS 72 -7.481 -7.477 -7.477
553 1HB CYS 72 HB2 CYS 72 -8.812 -5.277 -5.277
554 2HB CYS 72 HB3 CYS 72 -8.122 -6.775 -6.775
555 H GLY 73 HN GLY 73 -6.933 -5.029 -5.029
556 1HA GLY 73 HA1 GLY 73 -4.486 -4.220 -4.220
557 2HA GLY 73 HA2 GLY 73 -5.638 -2.940 -2.940
558 H VAL 74 HN VAL 74 -4.268 -1.884 -1.884
559 HA VAL 74 HA VAL 74 -3.973 -3.388 -3.388
560 HB VAL 74 HB VAL 74 -2.182 -1.289 -1.289
561 1HG1 VAL 74 HG11 VAL 74 -2.087 -2.592 -2.592
562 2HG1 VAL 74 HG12 VAL 74 -0.721 -1.717 -1.717
563 3HG1 VAL 74 HG13 VAL 74 -2.240 -0.859 -0.859
564 1HG2 VAL 74 HG23 VAL 74 -2.159 -3.816 -3.816
565 2HG2 VAL 74 HG21 VAL 74 -0.631 -2.956 -2.956
566 3HG2 VAL 74 HG22 VAL 74 -1.307 -4.043 -4.043
567 H SER 75 HN SER 75 -5.824 -1.145 -1.145
568 HA SER 75 HA SER 75 -6.777 0.785 0.785
569 1HB SER 75 HB2 SER 75 -8.546 0.336 0.336
570 2HB SER 75 HB3 SER 75 -8.014 -1.284 -1.284
571 HG SER 75 HG SER 75 -7.495 0.224 0.224
572 H LEU 76 HN LEU 76 -4.947 2.225 2.225
573 HA LEU 76 HA LEU 76 -4.133 2.559 2.559
574 1HB LEU 76 HB2 LEU 76 -2.676 3.986 3.986
575 2HB LEU 76 HB3 LEU 76 -2.084 3.157 3.157
576 HG LEU 76 HG LEU 76 -2.980 1.061 1.061
577 1HD1 LEU 76 HD12 LEU 76 -2.889 3.217 3.217
578 2HD1 LEU 76 HD13 LEU 76 -1.376 2.327 2.327
579 3HD1 LEU 76 HD11 LEU 76 -2.940 1.487 1.487
580 1HD2 LEU 76 HD22 LEU 76 -0.570 1.999 1.999
581 2HD2 LEU 76 HD23 LEU 76 -0.928 0.372 0.372
582 3HD2 LEU 76 HD21 LEU 76 -0.212 1.604 1.604
583 H ASP 77 HN ASP 77 -4.537 4.456 4.456
584 HA ASP 77 HA ASP 77 -5.947 6.471 6.471
585 1HB ASP 77 HB2 ASP 77 -6.873 6.971 6.971
586 2HB ASP 77 HB3 ASP 77 -7.666 5.848 5.848
587 H VAL 78 HN VAL 78 -3.075 5.729 5.729
588 HA VAL 78 HA VAL 78 -1.350 6.914 6.914
589 HB VAL 78 HB VAL 78 -3.137 9.084 9.084
590 1HG1 VAL 78 HG12 VAL 78 -0.986 9.445 9.445
591 2HG1 VAL 78 HG13 VAL 78 -0.833 10.463 10.463
592 3HG1 VAL 78 HG11 VAL 78 -2.315 10.532 10.532
593 1HG2 VAL 78 HG22 VAL 78 -1.588 7.563 7.563
594 2HG2 VAL 78 HG23 VAL 78 -1.527 9.317 9.317
595 3HG2 VAL 78 HG21 VAL 78 -0.257 8.530 8.530
596 H GLY 79 HN GLY 79 -4.414 8.499 8.499
597 1HA GLY 79 HA1 GLY 79 -3.466 9.323 9.323
598 2HA GLY 79 HA2 GLY 79 -5.135 8.983 8.983
599 H GLY 80 HN GLY 80 -3.817 6.116 6.116
600 1HA GLY 80 HA1 GLY 80 -4.005 5.056 5.056
601 2HA GLY 80 HA2 GLY 80 -4.661 4.253 4.253
602 H LYS 81 HN LYS 81 -2.116 5.423 5.423
603 HA LYS 81 HA LYS 81 -0.255 3.395 3.395
604 1HB LYS 81 HB2 LYS 81 0.141 3.758 3.758
605 2HB LYS 81 HB3 LYS 81 -0.325 2.308 2.308
606 1HG LYS 81 HG2 LYS 81 -2.347 4.471 4.471
607 2HG LYS 81 HG3 LYS 81 -1.954 3.168 3.168
608 1HD LYS 81 HD2 LYS 81 -2.977 1.542 1.542
609 2HD LYS 81 HD3 LYS 81 -2.628 2.376 2.376
610 1HE LYS 81 HE2 LYS 81 -4.329 4.193 4.193
611 2HE LYS 81 HE3 LYS 81 -4.860 2.918 2.918
612 1HZ LYS 81 HZ1 LYS 81 -4.611 2.406 2.406
613 2HZ LYS 81 HZ2 LYS 81 -5.950 3.127 3.127
614 3HZ LYS 81 HZ3 LYS 81 -5.535 1.630 1.630
615 H LYS 82 HN LYS 82 0.199 5.623 5.623
616 HA LYS 82 HA LYS 82 1.204 7.833 7.833
617 1HB LYS 82 HB2 LYS 82 3.705 7.344 7.344
618 2HB LYS 82 HB3 LYS 82 2.681 6.830 6.830
619 1HG LYS 82 HG2 LYS 82 2.639 4.638 4.638
620 2HG LYS 82 HG3 LYS 82 4.296 5.204 5.204
621 1HD LYS 82 HD2 LYS 82 4.728 4.268 4.268
622 2HD LYS 82 HD3 LYS 82 3.493 5.263 5.263
623 1HE LYS 82 HE2 LYS 82 1.959 3.556 3.556
624 2HE LYS 82 HE3 LYS 82 2.384 2.997 2.997
625 1HZ LYS 82 HZ3 LYS 82 4.560 2.446 2.446
626 2HZ LYS 82 HZ1 LYS 82 3.298 2.062 2.062
627 3HZ LYS 82 HZ2 LYS 82 3.441 1.372 1.372
628 H GLU 83 HN GLU 83 2.919 5.314 5.314
629 HA GLU 83 HA GLU 83 2.094 6.555 6.555
630 1HB GLU 83 HB2 GLU 83 4.898 6.780 6.780
631 2HB GLU 83 HB3 GLU 83 3.729 8.083 8.083
632 1HG GLU 83 HG2 GLU 83 4.578 6.935 6.935
633 2HG GLU 83 HG3 GLU 83 5.776 7.873 7.873
634 H TYR 84 HN TYR 84 3.272 5.468 5.468
635 HA TYR 84 HA TYR 84 4.533 2.950 2.950
636 1HB TYR 84 HB2 TYR 84 2.737 1.763 1.763
637 2HB TYR 84 HB3 TYR 84 2.099 2.439 2.439
638 HD1 TYR 84 HD2 TYR 84 2.688 3.575 3.575
639 HD2 TYR 84 HD1 TYR 84 0.061 3.521 3.521
640 HE1 TYR 84 HE2 TYR 84 0.945 4.864 4.864
641 HE2 TYR 84 HE1 TYR 84 -1.674 4.810 4.810
642 HH TYR 84 HH TYR 84 -2.247 5.122 5.122
643 H LEU 85 HN LEU 85 5.573 1.951 1.951
644 HA LEU 85 HA LEU 85 6.265 3.912 3.912
645 1HB LEU 85 HB2 LEU 85 7.886 2.171 2.171
646 2HB LEU 85 HB3 LEU 85 8.062 2.722 2.722
647 HG LEU 85 HG LEU 85 8.251 0.179 0.179
648 1HD1 LEU 85 HD13 LEU 85 7.946 1.557 1.557
649 2HD1 LEU 85 HD11 LEU 85 6.528 0.484 0.484
650 3HD1 LEU 85 HD12 LEU 85 8.159 -0.208 -0.208
651 1HD2 LEU 85 HD23 LEU 85 6.084 0.061 0.061
652 2HD2 LEU 85 HD21 LEU 85 6.185 -1.074 -1.074
653 3HD2 LEU 85 HD22 LEU 85 5.251 0.433 0.433
654 H ILE 86 HN ILE 86 3.628 2.003 2.003
655 HA ILE 86 HA ILE 86 2.614 0.493 0.493
656 HB ILE 86 HB ILE 86 2.070 3.329 3.329
657 1HG1 ILE 86 HG12 ILE 86 -0.160 2.628 2.628
658 2HG1 ILE 86 HG13 ILE 86 0.115 1.056 1.056
659 1HG2 ILE 86 HG23 ILE 86 1.703 1.793 1.793
660 2HG2 ILE 86 HG21 ILE 86 0.486 2.998 2.998
661 3HG2 ILE 86 HG22 ILE 86 2.182 3.488 3.488
662 1HD1 ILE 86 HD11 ILE 86 1.981 1.543 1.543
663 2HD1 ILE 86 HD12 ILE 86 0.284 1.678 1.678
664 3HD1 ILE 86 HD13 ILE 86 0.861 0.183 0.183
665 H ALA 87 HN ALA 87 3.849 -0.862 -0.862
666 HA ALA 87 HA ALA 87 4.793 0.308 0.308
667 1HB ALA 87 HB1 ALA 87 6.173 -1.337 -1.337
668 2HB ALA 87 HB2 ALA 87 6.421 -1.851 -1.851
669 3HB ALA 87 HB3 ALA 87 6.841 -0.194 -0.194
670 H GLY 88 HN GLY 88 3.296 -0.338 -0.338
671 1HA GLY 88 HA1 GLY 88 2.731 -3.223 -3.223
672 2HA GLY 88 HA2 GLY 88 1.402 -2.081 -2.081
673 H LYS 89 HN LYS 89 1.904 -3.871 -3.871
674 HA LYS 89 HA LYS 89 3.396 -3.136 -3.136
675 1HB LYS 89 HB2 LYS 89 1.493 -4.916 -4.916
676 2HB LYS 89 HB3 LYS 89 0.477 -3.692 -3.692
677 1HG LYS 89 HG2 LYS 89 1.679 -3.709 -3.709
678 2HG LYS 89 HG3 LYS 89 3.142 -4.317 -4.317
679 1HD LYS 89 HD2 LYS 89 1.541 -6.436 -6.436
680 2HD LYS 89 HD3 LYS 89 0.691 -5.824 -5.824
681 1HE LYS 89 HE2 LYS 89 3.284 -5.695 -5.695
682 2HE LYS 89 HE3 LYS 89 3.410 -7.056 -7.056
683 1HZ LYS 89 HZ2 LYS 89 1.331 -6.835 -6.835
684 2HZ LYS 89 HZ3 LYS 89 2.738 -7.637 -7.637
685 3HZ LYS 89 HZ1 LYS 89 1.671 -8.145 -8.145
686 H ALA 90 HN ALA 90 0.629 -1.322 -1.322
687 HA ALA 90 HA ALA 90 0.275 0.895 0.895
688 1HB ALA 90 HB2 ALA 90 2.748 0.838 0.838
689 2HB ALA 90 HB3 ALA 90 1.848 1.182 1.182
690 3HB ALA 90 HB1 ALA 90 1.714 2.284 2.284
691 H GLU 91 HN GLU 91 -0.618 2.413 2.413
692 HA GLU 91 HA GLU 91 -2.142 0.620 0.620
693 1HB GLU 91 HB2 GLU 91 -3.396 1.513 1.513
694 2HB GLU 91 HB3 GLU 91 -3.462 3.035 3.035
695 1HG GLU 91 HG2 GLU 91 -5.505 1.678 1.678
696 2HG GLU 91 HG3 GLU 91 -4.623 1.961 1.961
697 H GLY 92 HN GLY 92 -0.846 3.882 3.882
698 1HA GLY 92 HA1 GLY 92 -0.001 4.403 4.403
699 2HA GLY 92 HA2 GLY 92 -1.606 5.092 5.092
700 H ASP 93 HN ASP 93 -1.243 7.287 7.287
701 HA ASP 93 HA ASP 93 0.701 8.089 8.089
702 1HB ASP 93 HB2 ASP 93 -0.067 9.118 9.118
703 2HB ASP 93 HB3 ASP 93 -0.011 10.377 10.377
704 H GLY 94 HN GLY 94 -0.069 9.330 9.330
705 1HA GLY 94 HA1 GLY 94 -1.475 10.600 10.600
706 2HA GLY 94 HA2 GLY 94 -2.522 10.811 10.811
707 H LYS 95 HN LYS 95 -1.927 7.503 7.503
708 HA LYS 95 HA LYS 95 -3.593 6.777 6.777
709 1HB LYS 95 HB2 LYS 95 -5.659 6.407 6.407
710 2HB LYS 95 HB3 LYS 95 -5.194 7.885 7.885
711 1HG LYS 95 HG2 LYS 95 -4.748 5.091 5.091
712 2HG LYS 95 HG3 LYS 95 -6.125 6.101 6.101
713 1HD LYS 95 HD2 LYS 95 -3.259 7.063 7.063
714 2HD LYS 95 HD3 LYS 95 -4.115 6.177 6.177
715 1HE LYS 95 HE2 LYS 95 -4.814 8.898 8.898
716 2HE LYS 95 HE3 LYS 95 -4.457 8.506 8.506
717 1HZ LYS 95 HZ2 LYS 95 -6.500 6.982 6.982
718 2HZ LYS 95 HZ3 LYS 95 -6.879 7.968 7.968
719 3HZ LYS 95 HZ1 LYS 95 -6.715 8.580 8.580
720 H MET 96 HN MET 96 -3.163 4.665 4.665
721 HA MET 96 HA MET 96 -2.080 3.057 3.057
722 1HB MET 96 HB2 MET 96 -0.904 2.429 2.429
723 2HB MET 96 HB3 MET 96 -0.084 2.770 2.770
724 1HG MET 96 HG2 MET 96 -0.822 5.288 5.288
725 2HG MET 96 HG3 MET 96 -0.945 4.701 4.701
726 1HE MET 96 HE2 MET 96 0.678 3.789 3.789
727 2HE MET 96 HE3 MET 96 2.437 4.037 4.037
728 3HE MET 96 HE1 MET 96 1.355 5.433 5.433
729 H HIS 97 HN HIS 97 -1.519 0.779 0.779
730 HA HIS 97 HA HIS 97 -4.124 0.202 0.202
731 1HB HIS 97 HB2 HIS 97 -3.067 -0.958 -0.958
732 2HB HIS 97 HB3 HIS 97 -3.567 -2.155 -2.155
733 HD1 HIS 97 HD1 HIS 97 -5.362 -2.456 -2.456
734 HD2 HIS 97 HD2 HIS 97 -5.901 0.768 0.768
735 HE1 HIS 97 HE1 HIS 97 -7.775 -1.686 -1.686
736 H ILE 98 HN ILE 98 -3.848 -0.699 -0.699
737 HA ILE 98 HA ILE 98 -1.475 -2.350 -2.350
738 HB ILE 98 HB ILE 98 -0.859 -1.237 -1.237
739 1HG1 ILE 98 HG12 ILE 98 -3.453 0.236 0.236
740 2HG1 ILE 98 HG13 ILE 98 -2.807 -0.575 -0.575
741 1HG2 ILE 98 HG22 ILE 98 -0.415 -0.219 -0.219
742 2HG2 ILE 98 HG23 ILE 98 -1.253 1.168 1.168
743 3HG2 ILE 98 HG21 ILE 98 0.222 0.515 0.515
744 1HD1 ILE 98 HD13 ILE 98 -0.979 1.535 1.535
745 2HD1 ILE 98 HD11 ILE 98 -2.624 2.187 2.187
746 3HD1 ILE 98 HD12 ILE 98 -1.840 1.338 1.338
747 H THR 99 HN THR 99 -1.743 -3.977 -3.977
748 HA THR 99 HA THR 99 -4.349 -4.123 -4.123
749 HB THR 99 HB THR 99 -4.212 -6.663 -6.663
750 HG1 THR 99 HG1 THR 99 -3.417 -6.333 -6.333
751 1HG2 THR 99 HG21 THR 99 -5.761 -4.355 -4.355
752 2HG2 THR 99 HG22 THR 99 -5.176 -4.959 -4.959
753 3HG2 THR 99 HG23 THR 99 -6.110 -6.029 -6.029
754 H LEU 100 HN LEU 100 -4.425 -6.065 -6.065
755 HA LEU 100 HA LEU 100 -2.243 -5.850 -5.850
756 1HB LEU 100 HB2 LEU 100 -3.486 -7.067 -7.067
757 2HB LEU 100 HB3 LEU 100 -4.752 -6.578 -6.578
758 HG LEU 100 HG LEU 100 -3.335 -9.187 -9.187
759 1HD1 LEU 100 HD11 LEU 100 -4.695 -8.545 -8.545
760 2HD1 LEU 100 HD12 LEU 100 -5.692 -9.697 -9.697
761 3HD1 LEU 100 HD13 LEU 100 -4.004 -10.100 -10.100
762 1HD2 LEU 100 HD23 LEU 100 -4.978 -8.181 -8.181
763 2HD2 LEU 100 HD21 LEU 100 -5.339 -9.834 -9.834
764 3HD2 LEU 100 HD22 LEU 100 -6.239 -8.455 -8.455
765 H CYS 101 HN CYS 101 -3.160 -8.350 -8.350
766 HA CYS 101 HA CYS 101 -1.088 -10.103 -10.103
767 1HB CYS 101 HB2 CYS 101 -3.251 -10.249 -10.249
768 2HB CYS 101 HB3 CYS 101 -2.042 -9.942 -9.942
769 H ASP 102 HN ASP 102 -1.326 -7.123 -7.123
770 HA ASP 102 HA ASP 102 1.098 -7.534 -7.534
771 1HB ASP 102 HB2 ASP 102 -0.988 -5.887 -5.887
772 2HB ASP 102 HB3 ASP 102 -0.017 -4.780 -4.780
773 H PHE 103 HN PHE 103 2.964 -5.808 -5.808
774 HA PHE 103 HA PHE 103 3.860 -5.952 -5.952
775 1HB PHE 103 HB2 PHE 103 5.453 -6.011 -6.011
776 2HB PHE 103 HB3 PHE 103 4.714 -4.629 -4.629
777 HD1 PHE 103 HD2 PHE 103 5.255 -4.424 -4.424
778 HD2 PHE 103 HD1 PHE 103 6.973 -3.653 -3.653
779 HE1 PHE 103 HE2 PHE 103 6.948 -2.911 -2.911
780 HE2 PHE 103 HE1 PHE 103 8.666 -2.140 -2.140
781 HZ PHE 103 HZ PHE 103 8.633 -1.788 -1.788
782 H ILE 104 HN ILE 104 3.215 -4.660 -4.660
783 HA ILE 104 HA ILE 104 3.251 -1.836 -1.836
784 HB ILE 104 HB ILE 104 0.801 -1.674 -1.674
785 1HG1 ILE 104 HG12 ILE 104 0.641 -4.295 -4.295
786 2HG1 ILE 104 HG13 ILE 104 0.512 -4.145 -4.145
787 1HG2 ILE 104 HG22 ILE 104 2.043 -1.221 -1.221
788 2HG2 ILE 104 HG23 ILE 104 0.744 -2.336 -2.336
789 3HG2 ILE 104 HG21 ILE 104 0.347 -0.821 -0.821
790 1HD1 ILE 104 HD13 ILE 104 -1.405 -2.478 -2.478
791 2HD1 ILE 104 HD11 ILE 104 -1.359 -2.985 -2.985
792 3HD1 ILE 104 HD12 ILE 104 -1.742 -4.171 -4.171
793 H VAL 105 HN VAL 105 3.764 -0.901 -0.901
794 HA VAL 105 HA VAL 105 3.060 -2.266 -2.266
795 HB VAL 105 HB VAL 105 5.732 -1.818 -1.818
796 1HG1 VAL 105 HG13 VAL 105 4.200 -4.328 -4.328
797 2HG1 VAL 105 HG11 VAL 105 5.897 -4.360 -4.360
798 3HG1 VAL 105 HG12 VAL 105 4.636 -3.715 -3.715
799 1HG2 VAL 105 HG21 VAL 105 5.426 -2.982 -2.982
800 2HG2 VAL 105 HG22 VAL 105 6.237 -1.461 -1.461
801 3HG2 VAL 105 HG23 VAL 105 6.923 -3.019 -3.019
802 HA PRO 106 HA PRO 106 3.052 1.835 1.835
803 1HB PRO 106 HB2 PRO 106 3.387 1.571 1.571
804 2HB PRO 106 HB3 PRO 106 1.855 1.302 1.302
805 1HG PRO 106 HG2 PRO 106 3.748 -0.687 -0.687
806 2HG PRO 106 HG3 PRO 106 2.058 -0.892 -0.892
807 1HD PRO 106 HD2 PRO 106 4.318 -1.785 -1.785
808 2HD PRO 106 HD3 PRO 106 2.632 -1.887 -1.887
809 H TRP 107 HN TRP 107 5.755 0.296 0.296
810 HA TRP 107 HA TRP 107 7.849 1.012 1.012
811 1HB TRP 107 HB2 TRP 107 6.757 3.244 3.244
812 2HB TRP 107 HB3 TRP 107 7.034 3.658 3.658
813 HD1 TRP 107 HD1 TRP 107 9.544 1.943 1.943
814 HE1 TRP 107 HE1 TRP 107 11.789 3.323 3.323
815 HE3 TRP 107 HE3 TRP 107 8.015 5.729 5.729
816 HZ2 TRP 107 HZ2 TRP 107 12.654 5.787 5.787
817 HZ3 TRP 107 HZ3 TRP 107 9.621 7.584 7.584
818 HH2 TRP 107 HH2 TRP 107 11.870 7.653 7.653
819 H ASP 108 HN ASP 108 6.447 2.466 2.466
820 HA ASP 108 HA ASP 108 8.740 1.873 1.873
821 1HB ASP 108 HB2 ASP 108 7.177 3.648 3.648
822 2HB ASP 108 HB3 ASP 108 5.864 2.497 2.497
823 H THR 109 HN THR 109 8.352 -0.527 -0.527
824 HA THR 109 HA THR 109 7.742 -2.275 -2.275
825 HB THR 109 HB THR 109 5.998 -3.519 -3.519
826 HG1 THR 109 HG1 THR 109 6.177 -2.320 -2.320
827 1HG2 THR 109 HG22 THR 109 5.428 -2.054 -2.054
828 2HG2 THR 109 HG23 THR 109 5.122 -0.739 -0.739
829 3HG2 THR 109 HG21 THR 109 4.145 -2.225 -2.225
830 H LEU 110 HN LEU 110 8.081 -2.167 -2.167
831 HA LEU 110 HA LEU 110 9.012 -4.035 -4.035
832 1HB LEU 110 HB2 LEU 110 11.218 -2.182 -2.182
833 2HB LEU 110 HB3 LEU 110 11.264 -3.231 -3.231
834 HG LEU 110 HG LEU 110 9.292 -0.959 -0.959
835 1HD1 LEU 110 HD11 LEU 110 11.797 -0.371 -0.371
836 2HD1 LEU 110 HD12 LEU 110 11.634 -0.909 -0.909
837 3HD1 LEU 110 HD13 LEU 110 10.638 0.437 0.437
838 1HD2 LEU 110 HD23 LEU 110 9.196 -3.162 -3.162
839 2HD2 LEU 110 HD21 LEU 110 8.252 -1.656 -1.656
840 3HD2 LEU 110 HD22 LEU 110 9.787 -1.817 -1.817
841 H SER 111 HN SER 111 12.013 -3.636 -3.636
842 HA SER 111 HA SER 111 12.150 -5.057 -5.057
843 1HB SER 111 HB2 SER 111 11.219 -6.950 -6.950
844 2HB SER 111 HB3 SER 111 12.394 -7.559 -7.559
845 HG SER 111 HG SER 111 9.690 -6.832 -6.832
846 H THR 112 HN THR 112 13.155 -5.373 -5.373
847 HA THR 112 HA THR 112 15.635 -4.425 -4.425
848 HB THR 112 HB THR 112 15.474 -7.024 -7.024
849 HG1 THR 112 HG1 THR 112 16.934 -5.777 -5.777
850 1HG2 THR 112 HG23 THR 112 17.644 -6.448 -6.448
851 2HG2 THR 112 HG21 THR 112 17.865 -7.570 -7.570
852 3HG2 THR 112 HG22 THR 112 16.640 -7.914 -7.914
853 H THR 113 HN THR 113 14.491 -7.733 -7.733
854 HA THR 113 HA THR 113 15.686 -7.743 -7.743
855 HB THR 113 HB THR 113 13.243 -9.050 -9.050
856 HG1 THR 113 HG1 THR 113 15.140 -10.115 -10.115
857 1HG2 THR 113 HG21 THR 113 13.804 -8.830 -8.830
858 2HG2 THR 113 HG22 THR 113 13.959 -10.512 -10.512
859 3HG2 THR 113 HG23 THR 113 12.436 -9.626 -9.626
860 H GLN 114 HN GLN 114 12.893 -5.903 -5.903
861 HA GLN 114 HA GLN 114 12.035 -5.414 -5.414
862 1HB GLN 114 HB2 GLN 114 11.116 -4.633 -4.633
863 2HB GLN 114 HB3 GLN 114 10.611 -3.621 -3.621
864 1HG GLN 114 HG2 GLN 114 8.905 -5.140 -5.140
865 2HG GLN 114 HG3 GLN 114 10.090 -6.086 -6.086
866 1HE2 GLN 114 HE22 GLN 114 10.948 -8.161 -8.161
867 2HE2 GLN 114 HE21 GLN 114 11.718 -7.187 -7.187
868 H LYS 115 HN LYS 115 13.989 -3.836 -3.836
869 HA LYS 115 HA LYS 115 14.075 -1.308 -1.308
870 1HB LYS 115 HB2 LYS 115 15.180 -2.588 -2.588
871 2HB LYS 115 HB3 LYS 115 16.307 -1.477 -1.477
872 1HG LYS 115 HG2 LYS 115 14.953 0.380 0.380
873 2HG LYS 115 HG3 LYS 115 13.465 -0.535 -0.535
874 1HD LYS 115 HD2 LYS 115 15.370 -0.457 -0.457
875 2HD LYS 115 HD3 LYS 115 13.720 0.130 0.130
876 1HE LYS 115 HE2 LYS 115 13.109 -2.367 -2.367
877 2HE LYS 115 HE3 LYS 115 14.699 -2.744 -2.744
878 1HZ LYS 115 HZ2 LYS 115 13.889 -1.313 -1.313
879 2HZ LYS 115 HZ3 LYS 115 12.396 -1.657 -1.657
880 3HZ LYS 115 HZ1 LYS 115 13.399 -2.866 -2.866
881 H LYS 116 HN LYS 116 16.137 -4.261 -4.261
882 HA LYS 116 HA LYS 116 18.212 -3.134 -3.134
883 1HB LYS 116 HB2 LYS 116 19.056 -5.323 -5.323
884 2HB LYS 116 HB3 LYS 116 18.236 -5.258 -5.258
885 1HG LYS 116 HG2 LYS 116 17.092 -7.106 -7.106
886 2HG LYS 116 HG3 LYS 116 16.191 -6.048 -6.048
887 1HD LYS 116 HD2 LYS 116 18.851 -6.933 -6.933
888 2HD LYS 116 HD3 LYS 116 17.663 -8.208 -8.208
889 1HE LYS 116 HE2 LYS 116 16.659 -7.540 -7.540
890 2HE LYS 116 HE3 LYS 116 16.281 -5.996 -5.996
891 1HZ LYS 116 HZ3 LYS 116 18.735 -5.506 -5.506
892 2HZ LYS 116 HZ1 LYS 116 18.546 -6.703 -6.703
893 3HZ LYS 116 HZ2 LYS 116 17.587 -5.382 -5.382
894 H SER 117 HN SER 117 14.953 -4.037 -4.037
895 HA SER 117 HA SER 117 15.638 -4.323 -4.323
896 1HB SER 117 HB2 SER 117 13.676 -5.475 -5.475
897 2HB SER 117 HB3 SER 117 12.770 -4.315 -4.315
898 HG SER 117 HG SER 117 13.961 -5.302 -5.302
899 H LEU 118 HN LEU 118 14.820 -1.896 -1.896
900 HA LEU 118 HA LEU 118 13.240 -0.273 -0.273
901 1HB LEU 118 HB2 LEU 118 14.229 -0.200 -0.200
902 2HB LEU 118 HB3 LEU 118 14.167 1.370 1.370
903 HG LEU 118 HG LEU 118 11.726 -0.195 -0.195
904 1HD1 LEU 118 HD11 LEU 118 12.489 0.533 0.533
905 2HD1 LEU 118 HD12 LEU 118 10.872 0.021 0.021
906 3HD1 LEU 118 HD13 LEU 118 12.246 -1.106 -1.106
907 1HD2 LEU 118 HD21 LEU 118 12.539 2.500 2.500
908 2HD2 LEU 118 HD22 LEU 118 10.913 1.856 1.856
909 3HD2 LEU 118 HD23 LEU 118 11.378 2.281 2.281
910 H ASN 119 HN ASN 119 16.639 -0.925 -0.925
911 HA ASN 119 HA ASN 119 17.318 1.526 1.526
912 1HB ASN 119 HB2 ASN 119 19.599 1.137 1.137
913 2HB ASN 119 HB3 ASN 119 18.559 0.832 0.832
914 1HD2 ASN 119 HD22 ASN 119 19.234 -2.578 -2.578
915 2HD2 ASN 119 HD21 ASN 119 18.262 -1.222 -1.222
916 H HIS 120 HN HIS 120 16.201 -1.385 -1.385
917 HA HIS 120 HA HIS 120 18.304 -2.145 -2.145
918 1HB HIS 120 HB2 HIS 120 16.143 -3.462 -3.462
919 2HB HIS 120 HB3 HIS 120 15.901 -3.644 -3.644
920 HD1 HIS 120 HD1 HIS 120 19.125 -3.756 -3.756
921 HD2 HIS 120 HD2 HIS 120 16.949 -6.076 -6.076
922 HE1 HIS 120 HE1 HIS 120 20.510 -5.859 -5.859
923 H ARG 121 HN ARG 121 16.550 0.449 0.449
924 HA ARG 121 HA ARG 121 15.752 1.749 1.749
925 1HB ARG 121 HB2 ARG 121 17.439 -0.091 -0.091
926 2HB ARG 121 HB3 ARG 121 16.081 0.421 0.421
927 1HG ARG 121 HG2 ARG 121 17.976 2.297 2.297
928 2HG ARG 121 HG3 ARG 121 18.040 1.960 1.960
929 1HD ARG 121 HD2 ARG 121 15.343 2.790 2.790
930 2HD ARG 121 HD3 ARG 121 16.563 4.008 4.008
931 HE ARG 121 HE ARG 121 15.578 3.176 3.176
932 1HH1 ARG 121 HH22 ARG 121 18.365 4.509 4.509
933 2HH1 ARG 121 HH21 ARG 121 19.008 5.285 5.285
934 1HH2 ARG 121 HH12 ARG 121 16.426 4.199 4.199
935 2HH2 ARG 121 HH11 ARG 121 17.897 5.108 5.108
936 H TYR 122 HN TYR 122 15.203 -1.447 -1.447
937 HA TYR 122 HA TYR 122 12.485 -1.602 -1.602
938 1HB TYR 122 HB2 TYR 122 11.480 -0.739 -0.739
939 2HB TYR 122 HB3 TYR 122 12.819 0.374 0.374
940 HD1 TYR 122 HD1 TYR 122 15.138 -0.681 -0.681
941 HD2 TYR 122 HD2 TYR 122 11.129 -1.443 -1.443
942 HE1 TYR 122 HE1 TYR 122 15.989 -1.284 -1.284
943 HE2 TYR 122 HE2 TYR 122 11.995 -2.042 -2.042
944 HH TYR 122 HH TYR 122 14.666 -1.174 -1.174
945 H GLN 123 HN GLN 123 13.016 -3.776 -3.776
946 HA GLN 123 HA GLN 123 13.344 -5.883 -5.883
947 1HB GLN 123 HB2 GLN 123 11.356 -5.718 -5.718
948 2HB GLN 123 HB3 GLN 123 12.290 -5.116 -5.116
949 1HG GLN 123 HG2 GLN 123 13.528 -7.571 -7.571
950 2HG GLN 123 HG3 GLN 123 11.801 -7.873 -7.873
951 1HE2 GLN 123 HE22 GLN 123 12.053 -8.591 -8.591
952 2HE2 GLN 123 HE21 GLN 123 11.756 -9.144 -9.144
953 H MET 124 HN MET 124 15.711 -4.673 -4.673
954 HA MET 124 HA MET 124 17.193 -4.870 -4.870
955 1HB MET 124 HB2 MET 124 17.565 -4.055 -4.055
956 2HB MET 124 HB3 MET 124 18.954 -4.967 -4.967
957 1HG MET 124 HG2 MET 124 18.029 -3.004 -3.004
958 2HG MET 124 HG3 MET 124 18.466 -2.246 -2.246
959 1HE MET 124 HE3 MET 124 20.156 -1.106 -1.106
960 2HE MET 124 HE1 MET 124 20.758 -1.154 -1.154
961 3HE MET 124 HE2 MET 124 21.847 -1.560 -1.560
962 H GLY 125 HN GLY 125 16.042 -7.277 -7.277
963 1HA GLY 125 HA1 GLY 125 16.444 -9.481 -9.481
964 2HA GLY 125 HA2 GLY 125 18.152 -9.104 -9.104
965 H CYS 126 HN CYS 126 15.938 -8.101 -8.101
966 HA CYS 126 HA CYS 126 17.455 -9.344 -9.344
967 1HB CYS 126 HB2 CYS 126 16.035 -8.399 -8.399
968 2HB CYS 126 HB3 CYS 126 15.711 -7.396 -7.396
969 H GLU 127 HN GLU 127 15.657 -10.719 -10.719
970 HA GLU 127 HA GLU 127 14.079 -12.587 -12.587
971 1HB GLU 127 HB2 GLU 127 16.264 -13.361 -13.361
972 2HB GLU 127 HB3 GLU 127 16.858 -13.668 -13.668
973 1HG GLU 127 HG2 GLU 127 14.961 -15.275 -15.275
974 2HG GLU 127 HG3 GLU 127 14.407 -14.988 -14.988
Start of MODEL 27
1 H CYS 1 HN CYS 1 -7.243 -9.946 -9.946
2 HA CYS 1 HA CYS 1 -8.186 -8.568 -8.568
3 1HB CYS 1 HB2 CYS 1 -9.223 -10.511 -10.511
4 2HB CYS 1 HB3 CYS 1 -9.821 -10.766 -10.766
5 H SER 2 HN SER 2 -9.375 -10.612 -10.612
6 HA SER 2 HA SER 2 -7.757 -11.191 -11.191
7 1HB SER 2 HB2 SER 2 -8.984 -13.722 -13.722
8 2HB SER 2 HB3 SER 2 -9.561 -12.398 -12.398
9 HG SER 2 HG SER 2 -10.548 -13.343 -13.343
10 H CYS 3 HN CYS 3 -5.530 -11.441 -11.441
11 HA CYS 3 HA CYS 3 -4.815 -14.097 -14.097
12 1HB CYS 3 HB2 CYS 3 -4.745 -12.930 -12.930
13 2HB CYS 3 HB3 CYS 3 -3.879 -11.579 -11.579
14 H SER 4 HN SER 4 -2.862 -14.797 -14.797
15 HA SER 4 HA SER 4 -2.197 -13.440 -13.440
16 1HB SER 4 HB2 SER 4 -0.581 -15.202 -15.202
17 2HB SER 4 HB3 SER 4 -1.990 -15.924 -15.924
18 HG SER 4 HG SER 4 -0.492 -16.719 -16.719
19 HA PRO 5 HA PRO 5 0.639 -10.688 -10.688
20 1HB PRO 5 HB2 PRO 5 0.900 -8.935 -8.935
21 2HB PRO 5 HB3 PRO 5 -0.368 -8.812 -8.812
22 1HG PRO 5 HG2 PRO 5 -0.551 -9.753 -9.753
23 2HG PRO 5 HG3 PRO 5 -1.837 -9.225 -9.225
24 1HD PRO 5 HD2 PRO 5 -1.190 -11.929 -11.929
25 2HD PRO 5 HD3 PRO 5 -2.399 -11.407 -11.407
26 H VAL 6 HN VAL 6 2.431 -11.928 -11.928
27 HA VAL 6 HA VAL 6 4.232 -11.937 -11.937
28 HB VAL 6 HB VAL 6 3.191 -14.154 -14.154
29 1HG1 VAL 6 HG13 VAL 6 3.914 -13.501 -13.501
30 2HG1 VAL 6 HG11 VAL 6 4.755 -14.993 -14.993
31 3HG1 VAL 6 HG12 VAL 6 2.982 -14.890 -14.890
32 1HG2 VAL 6 HG23 VAL 6 6.069 -13.544 -13.544
33 2HG2 VAL 6 HG21 VAL 6 5.082 -14.648 -14.648
34 3HG2 VAL 6 HG22 VAL 6 5.697 -15.180 -15.180
35 H HIS 7 HN HIS 7 5.934 -13.471 -13.471
36 HA HIS 7 HA HIS 7 7.724 -12.808 -12.808
37 1HB HIS 7 HB2 HIS 7 6.960 -11.132 -11.132
38 2HB HIS 7 HB3 HIS 7 6.575 -12.841 -12.841
39 HD1 HIS 7 HD1 HIS 7 4.144 -13.438 -13.438
40 HD2 HIS 7 HD2 HIS 7 4.719 -9.494 -9.494
41 HE1 HIS 7 HE1 HIS 7 1.830 -12.366 -12.366
42 HA PRO 8 HA PRO 8 8.526 -9.009 -9.009
43 1HB PRO 8 HB2 PRO 8 10.821 -9.835 -9.835
44 2HB PRO 8 HB3 PRO 8 9.236 -9.976 -9.976
45 1HG PRO 8 HG2 PRO 8 10.914 -12.090 -12.090
46 2HG PRO 8 HG3 PRO 8 9.555 -12.257 -12.257
47 1HD PRO 8 HD2 PRO 8 9.546 -12.727 -12.727
48 2HD PRO 8 HD3 PRO 8 8.164 -12.780 -12.780
49 H GLN 9 HN GLN 9 9.796 -10.595 -10.595
50 HA GLN 9 HA GLN 9 11.504 -8.298 -8.298
51 1HB GLN 9 HB2 GLN 9 13.018 -10.094 -10.094
52 2HB GLN 9 HB3 GLN 9 12.259 -11.221 -11.221
53 1HG GLN 9 HG2 GLN 9 13.617 -10.537 -10.537
54 2HG GLN 9 HG3 GLN 9 13.034 -8.893 -8.893
55 1HE2 GLN 9 HE22 GLN 9 15.568 -8.091 -8.091
56 2HE2 GLN 9 HE21 GLN 9 13.841 -8.109 -8.109
57 H GLN 10 HN GLN 10 9.757 -11.187 -11.187
58 HA GLN 10 HA GLN 10 9.940 -10.485 -10.485
59 1HB GLN 10 HB2 GLN 10 8.989 -12.526 -12.526
60 2HB GLN 10 HB3 GLN 10 8.642 -12.489 -12.489
61 1HG GLN 10 HG2 GLN 10 6.487 -12.704 -12.704
62 2HG GLN 10 HG3 GLN 10 6.597 -10.969 -10.969
63 1HE2 GLN 10 HE22 GLN 10 5.235 -11.311 -11.311
64 2HE2 GLN 10 HE21 GLN 10 4.791 -11.462 -11.462
65 H ALA 11 HN ALA 11 8.443 -8.805 -8.805
66 HA ALA 11 HA ALA 11 6.155 -7.891 -7.891
67 1HB ALA 11 HB1 ALA 11 7.174 -7.809 -7.809
68 2HB ALA 11 HB2 ALA 11 6.579 -6.216 -6.216
69 3HB ALA 11 HB3 ALA 11 5.505 -7.634 -7.634
70 H PHE 12 HN PHE 12 9.499 -6.871 -6.871
71 HA PHE 12 HA PHE 12 9.022 -4.298 -4.298
72 1HB PHE 12 HB2 PHE 12 11.460 -5.705 -5.705
73 2HB PHE 12 HB3 PHE 12 11.491 -4.048 -4.048
74 HD1 PHE 12 HD1 PHE 12 9.025 -5.963 -5.963
75 HD2 PHE 12 HD2 PHE 12 11.625 -2.619 -2.619
76 HE1 PHE 12 HE1 PHE 12 8.235 -5.177 -5.177
77 HE2 PHE 12 HE2 PHE 12 10.836 -1.834 -1.834
78 HZ PHE 12 HZ PHE 12 9.150 -3.123 -3.123
79 H CYS 13 HN CYS 13 9.350 -7.318 -7.318
80 HA CYS 13 HA CYS 13 11.174 -6.439 -6.439
81 1HB CYS 13 HB2 CYS 13 10.787 -9.059 -9.059
82 2HB CYS 13 HB3 CYS 13 11.080 -9.098 -9.098
83 H ASN 14 HN ASN 14 7.947 -6.957 -6.957
84 HA ASN 14 HA ASN 14 7.180 -7.721 -7.721
85 1HB ASN 14 HB2 ASN 14 6.256 -8.554 -8.554
86 2HB ASN 14 HB3 ASN 14 4.993 -7.484 -7.484
87 1HD2 ASN 14 HD22 ASN 14 5.755 -11.126 -11.126
88 2HD2 ASN 14 HD21 ASN 14 6.809 -10.406 -10.406
89 H ALA 15 HN ALA 15 6.744 -5.334 -5.334
90 HA ALA 15 HA ALA 15 4.747 -3.774 -3.774
91 1HB ALA 15 HB3 ALA 15 7.177 -3.052 -3.052
92 2HB ALA 15 HB1 ALA 15 5.799 -1.962 -1.962
93 3HB ALA 15 HB2 ALA 15 5.555 -3.498 -3.498
94 H ASP 16 HN ASP 16 5.172 -1.378 -1.378
95 HA ASP 16 HA ASP 16 7.454 -1.237 -1.237
96 1HB ASP 16 HB2 ASP 16 4.626 -1.601 -1.601
97 2HB ASP 16 HB3 ASP 16 5.544 -0.367 -0.367
98 H VAL 17 HN VAL 17 5.898 0.066 0.066
99 HA VAL 17 HA VAL 17 6.527 2.744 2.744
100 HB VAL 17 HB VAL 17 4.376 2.478 2.478
101 1HG1 VAL 17 HG12 VAL 17 3.486 0.843 0.843
102 2HG1 VAL 17 HG13 VAL 17 2.990 2.320 2.320
103 3HG1 VAL 17 HG11 VAL 17 2.350 1.980 1.980
104 1HG2 VAL 17 HG23 VAL 17 5.258 4.600 4.600
105 2HG2 VAL 17 HG21 VAL 17 3.735 4.611 4.611
106 3HG2 VAL 17 HG22 VAL 17 3.710 4.333 4.333
107 H VAL 18 HN VAL 18 7.854 2.474 2.474
108 HA VAL 18 HA VAL 18 6.412 1.974 1.974
109 HB VAL 18 HB VAL 18 9.359 2.280 2.280
110 1HG1 VAL 18 HG11 VAL 18 7.302 1.019 1.019
111 2HG1 VAL 18 HG12 VAL 18 8.602 -0.129 -0.129
112 3HG1 VAL 18 HG13 VAL 18 8.992 1.409 1.409
113 1HG2 VAL 18 HG23 VAL 18 8.816 1.054 1.054
114 2HG2 VAL 18 HG21 VAL 18 9.803 0.132 0.132
115 3HG2 VAL 18 HG22 VAL 18 8.065 -0.217 -0.217
116 H ILE 19 HN ILE 19 5.722 3.701 3.701
117 HA ILE 19 HA ILE 19 7.450 6.036 6.036
118 HB ILE 19 HB ILE 19 5.729 7.579 7.579
119 1HG1 ILE 19 HG12 ILE 19 3.950 5.189 5.189
120 2HG1 ILE 19 HG13 ILE 19 3.696 6.824 6.824
121 1HG2 ILE 19 HG21 ILE 19 7.084 6.354 6.354
122 2HG2 ILE 19 HG22 ILE 19 5.566 5.499 5.499
123 3HG2 ILE 19 HG23 ILE 19 5.645 7.273 7.273
124 1HD1 ILE 19 HD13 ILE 19 3.672 7.485 7.485
125 2HD1 ILE 19 HD11 ILE 19 3.392 5.747 5.747
126 3HD1 ILE 19 HD12 ILE 19 2.237 6.695 6.695
127 H ARG 20 HN ARG 20 7.679 6.679 6.679
128 HA ARG 20 HA ARG 20 6.134 5.342 5.342
129 1HB ARG 20 HB2 ARG 20 8.065 7.673 7.673
130 2HB ARG 20 HB3 ARG 20 7.585 6.481 6.481
131 1HG ARG 20 HG2 ARG 20 8.903 4.787 4.787
132 2HG ARG 20 HG3 ARG 20 8.840 5.482 5.482
133 1HD ARG 20 HD2 ARG 20 11.086 5.666 5.666
134 2HD ARG 20 HD3 ARG 20 10.512 7.094 7.094
135 HE ARG 20 HE ARG 20 9.372 7.445 7.445
136 1HH1 ARG 20 HH22 ARG 20 12.653 6.563 6.563
137 2HH1 ARG 20 HH21 ARG 20 13.374 7.287 7.287
138 1HH2 ARG 20 HH12 ARG 20 10.323 8.400 8.400
139 2HH2 ARG 20 HH11 ARG 20 12.041 8.338 8.338
140 H THR 21 HN THR 21 4.424 6.885 6.885
141 HA THR 21 HA THR 21 3.900 9.463 9.463
142 HB THR 21 HB THR 21 3.104 8.696 8.696
143 HG1 THR 21 HG1 THR 21 1.288 9.872 9.872
144 1HG2 THR 21 HG21 THR 21 2.713 6.234 6.234
145 2HG2 THR 21 HG22 THR 21 1.115 6.861 6.861
146 3HG2 THR 21 HG23 THR 21 1.611 6.879 6.879
147 H LYS 22 HN LYS 22 1.529 9.938 9.938
148 HA LYS 22 HA LYS 22 1.107 8.120 8.120
149 1HB LYS 22 HB2 LYS 22 0.854 10.010 10.010
150 2HB LYS 22 HB3 LYS 22 2.449 10.019 10.019
151 1HG LYS 22 HG2 LYS 22 1.819 11.771 11.771
152 2HG LYS 22 HG3 LYS 22 0.126 11.634 11.634
153 1HD LYS 22 HD2 LYS 22 2.402 12.760 12.760
154 2HD LYS 22 HD3 LYS 22 0.922 13.561 13.561
155 1HE LYS 22 HE2 LYS 22 -0.274 11.649 11.649
156 2HE LYS 22 HE3 LYS 22 1.299 11.444 11.444
157 1HZ LYS 22 HZ3 LYS 22 0.805 14.145 14.145
158 2HZ LYS 22 HZ1 LYS 22 -0.585 13.455 13.455
159 3HZ LYS 22 HZ2 LYS 22 0.808 13.166 13.166
160 H ALA 23 HN ALA 23 -0.935 7.360 7.360
161 HA ALA 23 HA ALA 23 -2.893 8.782 8.782
162 1HB ALA 23 HB1 ALA 23 -2.543 6.377 6.377
163 2HB ALA 23 HB2 ALA 23 -2.922 6.033 6.033
164 3HB ALA 23 HB3 ALA 23 -4.182 6.680 6.680
165 H VAL 24 HN VAL 24 -3.929 10.405 10.405
166 HA VAL 24 HA VAL 24 -4.683 9.860 9.860
167 HB VAL 24 HB VAL 24 -4.951 12.427 12.427
168 1HG1 VAL 24 HG12 VAL 24 -2.453 10.798 10.798
169 2HG1 VAL 24 HG13 VAL 24 -2.287 12.570 12.570
170 3HG1 VAL 24 HG11 VAL 24 -3.271 11.754 11.754
171 1HG2 VAL 24 HG23 VAL 24 -4.566 12.348 12.348
172 2HG2 VAL 24 HG21 VAL 24 -3.953 13.704 13.704
173 3HG2 VAL 24 HG22 VAL 24 -2.851 12.401 12.401
174 H SER 25 HN SER 25 -5.753 10.917 10.917
175 HA SER 25 HA SER 25 -8.481 10.814 10.814
176 1HB SER 25 HB2 SER 25 -8.372 12.946 12.946
177 2HB SER 25 HB3 SER 25 -7.119 12.527 12.527
178 HG SER 25 HG SER 25 -9.306 12.974 12.974
179 H GLU 26 HN GLU 26 -10.104 10.147 10.147
180 HA GLU 26 HA GLU 26 -8.921 8.318 8.318
181 1HB GLU 26 HB2 GLU 26 -10.547 7.403 7.403
182 2HB GLU 26 HB3 GLU 26 -10.661 6.515 6.515
183 1HG GLU 26 HG2 GLU 26 -8.780 5.409 5.409
184 2HG GLU 26 HG3 GLU 26 -7.898 6.886 6.886
185 H LYS 27 HN LYS 27 -11.122 7.006 7.006
186 HA LYS 27 HA LYS 27 -13.309 8.882 8.882
187 1HB LYS 27 HB2 LYS 27 -11.715 9.741 9.741
188 2HB LYS 27 HB3 LYS 27 -11.631 8.164 8.164
189 1HG LYS 27 HG2 LYS 27 -13.721 8.361 8.361
190 2HG LYS 27 HG3 LYS 27 -14.391 9.253 9.253
191 1HD LYS 27 HD2 LYS 27 -14.155 10.632 10.632
192 2HD LYS 27 HD3 LYS 27 -13.328 11.318 11.318
193 1HE LYS 27 HE2 LYS 27 -11.169 10.588 10.588
194 2HE LYS 27 HE3 LYS 27 -11.878 9.501 9.501
195 1HZ LYS 27 HZ2 LYS 27 -12.878 12.008 12.008
196 2HZ LYS 27 HZ3 LYS 27 -11.276 12.209 12.209
197 3HZ LYS 27 HZ1 LYS 27 -11.803 11.160 11.160
198 H GLU 28 HN GLU 28 -15.052 7.623 7.623
199 HA GLU 28 HA GLU 28 -14.860 4.833 4.833
200 1HB GLU 28 HB2 GLU 28 -16.215 5.993 5.993
201 2HB GLU 28 HB3 GLU 28 -17.335 6.526 6.526
202 1HG GLU 28 HG2 GLU 28 -17.252 3.853 3.853
203 2HG GLU 28 HG3 GLU 28 -16.920 3.785 3.785
204 H VAL 29 HN VAL 29 -14.507 4.334 4.334
205 HA VAL 29 HA VAL 29 -16.601 5.252 5.252
206 HB VAL 29 HB VAL 29 -14.992 4.724 4.724
207 1HG1 VAL 29 HG13 VAL 29 -15.088 6.962 6.962
208 2HG1 VAL 29 HG11 VAL 29 -13.474 6.455 6.455
209 3HG1 VAL 29 HG12 VAL 29 -13.786 6.688 6.688
210 1HG2 VAL 29 HG22 VAL 29 -13.185 3.958 3.958
211 2HG2 VAL 29 HG23 VAL 29 -13.709 2.943 2.943
212 3HG2 VAL 29 HG21 VAL 29 -12.591 4.300 4.300
213 H ASP 30 HN ASP 30 -18.224 3.800 3.800
214 HA ASP 30 HA ASP 30 -17.958 1.161 1.161
215 1HB ASP 30 HB2 ASP 30 -20.010 1.914 1.914
216 2HB ASP 30 HB3 ASP 30 -20.207 0.941 0.941
217 H SER 31 HN SER 31 -17.985 -0.816 -0.816
218 HA SER 31 HA SER 31 -17.199 -0.317 -0.317
219 1HB SER 31 HB2 SER 31 -15.080 -0.788 -0.788
220 2HB SER 31 HB3 SER 31 -15.702 -1.847 -1.847
221 HG SER 31 HG SER 31 -15.633 -2.460 -2.460
222 H GLY 32 HN GLY 32 -19.766 -1.101 -1.101
223 1HA GLY 32 HA1 GLY 32 -21.459 -2.511 -2.511
224 2HA GLY 32 HA2 GLY 32 -20.456 -3.268 -3.268
225 H ASN 33 HN ASN 33 -21.870 -5.131 -5.131
226 HA ASN 33 HA ASN 33 -20.757 -6.028 -6.028
227 1HB ASN 33 HB2 ASN 33 -22.540 -7.703 -7.703
228 2HB ASN 33 HB3 ASN 33 -22.463 -7.707 -7.707
229 1HD2 ASN 33 HD22 ASN 33 -24.408 -4.751 -4.751
230 2HD2 ASN 33 HD21 ASN 33 -23.064 -5.656 -5.656
231 H ASP 34 HN ASP 34 -20.010 -8.465 -8.465
232 HA ASP 34 HA ASP 34 -18.157 -8.821 -8.821
233 1HB ASP 34 HB2 ASP 34 -17.713 -8.966 -8.966
234 2HB ASP 34 HB3 ASP 34 -18.277 -10.612 -10.612
235 H ILE 35 HN ILE 35 -17.789 -11.700 -11.700
236 HA ILE 35 HA ILE 35 -20.068 -12.625 -12.625
237 HB ILE 35 HB ILE 35 -17.545 -14.022 -14.022
238 1HG1 ILE 35 HG12 ILE 35 -16.951 -13.732 -13.732
239 2HG1 ILE 35 HG13 ILE 35 -18.275 -12.589 -12.589
240 1HG2 ILE 35 HG22 ILE 35 -19.919 -14.920 -14.920
241 2HG2 ILE 35 HG23 ILE 35 -18.309 -15.466 -15.466
242 3HG2 ILE 35 HG21 ILE 35 -18.874 -15.820 -15.820
243 1HD1 ILE 35 HD13 ILE 35 -16.241 -12.259 -12.259
244 2HD1 ILE 35 HD11 ILE 35 -15.833 -11.735 -11.735
245 3HD1 ILE 35 HD12 ILE 35 -17.231 -11.022 -11.022
246 H TYR 36 HN TYR 36 -19.595 -12.039 -12.039
247 HA TYR 36 HA TYR 36 -21.042 -14.459 -14.459
248 1HB TYR 36 HB2 TYR 36 -18.733 -13.346 -13.346
249 2HB TYR 36 HB3 TYR 36 -19.862 -12.326 -12.326
250 HD1 TYR 36 HD1 TYR 36 -19.705 -16.003 -16.003
251 HD2 TYR 36 HD2 TYR 36 -20.105 -12.971 -12.971
252 HE1 TYR 36 HE1 TYR 36 -19.950 -17.791 -17.791
253 HE2 TYR 36 HE2 TYR 36 -20.348 -14.770 -14.770
254 HH TYR 36 HH TYR 36 -20.122 -16.912 -16.912
255 H GLY 37 HN GLY 37 -21.632 -11.346 -11.346
256 1HA GLY 37 HA1 GLY 37 -23.680 -10.304 -10.304
257 2HA GLY 37 HA2 GLY 37 -24.202 -11.296 -11.296
258 H ASN 38 HN ASN 38 -21.216 -10.431 -10.431
259 HA ASN 38 HA ASN 38 -22.284 -8.442 -8.442
260 1HB ASN 38 HB2 ASN 38 -19.776 -8.361 -8.361
261 2HB ASN 38 HB3 ASN 38 -20.662 -9.849 -9.849
262 1HD2 ASN 38 HD22 ASN 38 -17.393 -10.759 -10.759
263 2HD2 ASN 38 HD21 ASN 38 -18.010 -9.990 -9.990
264 HA PRO 39 HA PRO 39 -20.840 -4.990 -4.990
265 1HB PRO 39 HB2 PRO 39 -20.555 -3.095 -3.095
266 2HB PRO 39 HB3 PRO 39 -22.102 -3.521 -3.521
267 1HG PRO 39 HG2 PRO 39 -21.013 -4.239 -4.239
268 2HG PRO 39 HG3 PRO 39 -22.675 -4.281 -4.281
269 1HD PRO 39 HD2 PRO 39 -20.917 -6.524 -6.524
270 2HD PRO 39 HD3 PRO 39 -22.539 -6.552 -6.552
271 H ILE 40 HN ILE 40 -19.014 -4.501 -4.501
272 HA ILE 40 HA ILE 40 -16.602 -5.405 -5.405
273 HB ILE 40 HB ILE 40 -17.224 -3.714 -3.714
274 1HG1 ILE 40 HG12 ILE 40 -16.599 -6.655 -6.655
275 2HG1 ILE 40 HG13 ILE 40 -18.110 -5.952 -5.952
276 1HG2 ILE 40 HG22 ILE 40 -14.960 -3.214 -3.214
277 2HG2 ILE 40 HG23 ILE 40 -14.570 -4.951 -4.951
278 3HG2 ILE 40 HG21 ILE 40 -14.937 -4.097 -4.097
279 1HD1 ILE 40 HD13 ILE 40 -16.374 -4.835 -4.835
280 2HD1 ILE 40 HD11 ILE 40 -15.582 -6.399 -6.399
281 3HD1 ILE 40 HD12 ILE 40 -17.262 -6.353 -6.353
282 H LYS 41 HN LYS 41 -16.844 -2.085 -2.085
283 HA LYS 41 HA LYS 41 -16.388 -0.106 -0.106
284 1HB LYS 41 HB2 LYS 41 -17.950 -0.902 -0.902
285 2HB LYS 41 HB3 LYS 41 -16.520 -1.321 -1.321
286 1HG LYS 41 HG2 LYS 41 -15.731 0.987 0.987
287 2HG LYS 41 HG3 LYS 41 -16.957 1.458 1.458
288 1HD LYS 41 HD2 LYS 41 -17.632 0.352 0.352
289 2HD LYS 41 HD3 LYS 41 -17.441 2.065 2.065
290 1HE LYS 41 HE2 LYS 41 -19.380 0.317 0.317
291 2HE LYS 41 HE3 LYS 41 -19.848 1.148 1.148
292 1HZ LYS 41 HZ2 LYS 41 -18.503 2.821 2.821
293 2HZ LYS 41 HZ3 LYS 41 -19.910 2.216 2.216
294 3HZ LYS 41 HZ1 LYS 41 -19.892 3.082 3.082
295 H ARG 42 HN ARG 42 -14.424 0.848 0.848
296 HA ARG 42 HA ARG 42 -12.237 -0.527 -0.527
297 1HB ARG 42 HB2 ARG 42 -11.038 0.568 0.568
298 2HB ARG 42 HB3 ARG 42 -11.440 -1.125 -1.125
299 1HG ARG 42 HG2 ARG 42 -13.763 -0.603 -0.603
300 2HG ARG 42 HG3 ARG 42 -13.188 1.010 1.010
301 1HD ARG 42 HD2 ARG 42 -11.200 -0.322 -0.322
302 2HD ARG 42 HD3 ARG 42 -12.367 -1.628 -1.628
303 HE ARG 42 HE ARG 42 -13.598 0.819 0.819
304 1HH1 ARG 42 HH22 ARG 42 -11.384 -1.723 -1.723
305 2HH1 ARG 42 HH21 ARG 42 -11.724 -1.523 -1.523
306 1HH2 ARG 42 HH12 ARG 42 -14.048 1.081 1.081
307 2HH2 ARG 42 HH11 ARG 42 -13.250 0.082 0.082
308 H ILE 43 HN ILE 43 -12.782 1.275 1.275
309 HA ILE 43 HA ILE 43 -12.815 3.914 3.914
310 HB ILE 43 HB ILE 43 -12.457 2.215 2.215
311 1HG1 ILE 43 HG12 ILE 43 -12.625 4.704 4.704
312 2HG1 ILE 43 HG13 ILE 43 -13.183 5.034 5.034
313 1HG2 ILE 43 HG23 ILE 43 -10.016 2.596 2.596
314 2HG2 ILE 43 HG21 ILE 43 -10.298 4.339 4.339
315 3HG2 ILE 43 HG22 ILE 43 -10.718 3.200 3.200
316 1HD1 ILE 43 HD13 ILE 43 -14.771 3.057 3.057
317 2HD1 ILE 43 HD11 ILE 43 -14.293 2.947 2.947
318 3HD1 ILE 43 HD12 ILE 43 -15.116 4.406 4.406
319 H GLN 44 HN GLN 44 -11.290 5.652 5.652
320 HA GLN 44 HA GLN 44 -8.960 4.834 4.834
321 1HB GLN 44 HB2 GLN 44 -10.184 7.563 7.563
322 2HB GLN 44 HB3 GLN 44 -8.716 7.350 7.350
323 1HG GLN 44 HG2 GLN 44 -11.534 6.472 6.472
324 2HG GLN 44 HG3 GLN 44 -10.428 7.439 7.439
325 1HE2 GLN 44 HE22 GLN 44 -10.260 3.320 3.320
326 2HE2 GLN 44 HE21 GLN 44 -11.167 4.230 4.230
327 H TYR 45 HN TYR 45 -7.022 6.685 6.685
328 HA TYR 45 HA TYR 45 -6.618 6.660 6.660
329 1HB TYR 45 HB2 TYR 45 -5.180 5.274 5.274
330 2HB TYR 45 HB3 TYR 45 -4.109 6.165 6.165
331 HD1 TYR 45 HD2 TYR 45 -5.806 5.709 5.709
332 HD2 TYR 45 HD1 TYR 45 -4.386 3.081 3.081
333 HE1 TYR 45 HE2 TYR 45 -5.829 3.769 3.769
334 HE2 TYR 45 HE1 TYR 45 -4.415 1.149 1.149
335 HH TYR 45 HH TYR 45 -4.706 0.551 0.551
336 H GLU 46 HN GLU 46 -7.364 8.978 8.978
337 HA GLU 46 HA GLU 46 -5.695 10.568 10.568
338 1HB GLU 46 HB2 GLU 46 -8.126 10.936 10.936
339 2HB GLU 46 HB3 GLU 46 -7.226 11.719 11.719
340 1HG GLU 46 HG2 GLU 46 -6.131 13.219 13.219
341 2HG GLU 46 HG3 GLU 46 -6.989 12.418 12.418
342 H ILE 47 HN ILE 47 -3.579 9.625 9.625
343 HA ILE 47 HA ILE 47 -2.762 10.241 10.241
344 HB ILE 47 HB ILE 47 -0.529 9.655 9.655
345 1HG1 ILE 47 HG12 ILE 47 -1.878 9.845 9.845
346 2HG1 ILE 47 HG13 ILE 47 -0.352 10.529 10.529
347 1HG2 ILE 47 HG21 ILE 47 -2.837 8.017 8.017
348 2HG2 ILE 47 HG22 ILE 47 -1.856 7.451 7.451
349 3HG2 ILE 47 HG23 ILE 47 -1.136 7.556 7.556
350 1HD1 ILE 47 HD13 ILE 47 -0.096 7.716 7.716
351 2HD1 ILE 47 HD11 ILE 47 -0.861 7.946 7.946
352 3HD1 ILE 47 HD12 ILE 47 0.699 8.723 8.723
353 H LYS 48 HN LYS 48 -0.337 11.534 11.534
354 HA LYS 48 HA LYS 48 -1.023 14.141 14.141
355 1HB LYS 48 HB2 LYS 48 -1.294 13.754 13.754
356 2HB LYS 48 HB3 LYS 48 0.443 13.982 13.982
357 1HG LYS 48 HG2 LYS 48 0.257 16.178 16.178
358 2HG LYS 48 HG3 LYS 48 -1.426 15.929 15.929
359 1HD LYS 48 HD2 LYS 48 -0.818 17.357 17.357
360 2HD LYS 48 HD3 LYS 48 -2.170 16.244 16.244
361 1HE LYS 48 HE2 LYS 48 -0.808 14.544 14.544
362 2HE LYS 48 HE3 LYS 48 0.655 15.477 15.477
363 1HZ LYS 48 HZ2 LYS 48 -0.456 17.245 17.245
364 2HZ LYS 48 HZ3 LYS 48 -1.606 16.153 16.153
365 3HZ LYS 48 HZ1 LYS 48 -0.051 15.895 15.895
366 H GLN 49 HN GLN 49 0.924 11.497 11.497
367 HA GLN 49 HA GLN 49 2.918 11.088 11.088
368 1HB GLN 49 HB2 GLN 49 2.577 12.110 12.110
369 2HB GLN 49 HB3 GLN 49 2.188 13.662 13.662
370 1HG GLN 49 HG2 GLN 49 4.398 14.355 14.355
371 2HG GLN 49 HG3 GLN 49 5.011 12.744 12.744
372 1HE2 GLN 49 HE22 GLN 49 5.065 11.681 11.681
373 2HE2 GLN 49 HE21 GLN 49 4.731 11.146 11.146
374 H ILE 50 HN ILE 50 4.835 10.918 10.918
375 HA ILE 50 HA ILE 50 5.861 13.348 13.348
376 HB ILE 50 HB ILE 50 5.670 12.563 12.563
377 1HG1 ILE 50 HG12 ILE 50 6.896 10.045 10.045
378 2HG1 ILE 50 HG13 ILE 50 7.619 11.248 11.248
379 1HG2 ILE 50 HG22 ILE 50 3.522 11.702 11.702
380 2HG2 ILE 50 HG23 ILE 50 4.220 10.096 10.096
381 3HG2 ILE 50 HG21 ILE 50 3.871 11.199 11.199
382 1HD1 ILE 50 HD13 ILE 50 5.278 9.466 9.466
383 2HD1 ILE 50 HD11 ILE 50 6.981 9.134 9.134
384 3HD1 ILE 50 HD12 ILE 50 6.181 10.579 10.579
385 H LYS 51 HN LYS 51 6.318 10.209 10.209
386 HA LYS 51 HA LYS 51 8.972 11.033 11.033
387 1HB LYS 51 HB2 LYS 51 8.707 9.444 9.444
388 2HB LYS 51 HB3 LYS 51 9.141 8.315 8.315
389 1HG LYS 51 HG2 LYS 51 11.195 9.375 9.375
390 2HG LYS 51 HG3 LYS 51 10.648 10.928 10.928
391 1HD LYS 51 HD2 LYS 51 10.447 9.375 9.375
392 2HD LYS 51 HD3 LYS 51 11.816 8.625 8.625
393 1HE LYS 51 HE2 LYS 51 12.799 10.992 10.992
394 2HE LYS 51 HE3 LYS 51 11.524 11.561 11.561
395 1HZ LYS 51 HZ1 LYS 51 12.744 9.324 9.324
396 2HZ LYS 51 HZ2 LYS 51 13.901 10.401 10.401
397 3HZ LYS 51 HZ3 LYS 51 12.676 10.850 10.850
398 H MET 52 HN MET 52 9.926 9.305 9.305
399 HA MET 52 HA MET 52 7.832 7.760 7.760
400 1HB MET 52 HB2 MET 52 8.450 8.750 8.750
401 2HB MET 52 HB3 MET 52 7.697 9.913 9.913
402 1HG MET 52 HG2 MET 52 9.665 11.123 11.123
403 2HG MET 52 HG3 MET 52 10.692 9.712 9.712
404 1HE MET 52 HE2 MET 52 11.988 11.654 11.654
405 2HE MET 52 HE3 MET 52 12.454 10.252 10.252
406 3HE MET 52 HE1 MET 52 12.034 11.795 11.795
407 H PHE 53 HN PHE 53 9.479 6.280 6.280
408 HA PHE 53 HA PHE 53 12.030 5.862 5.862
409 1HB PHE 53 HB2 PHE 53 9.583 4.166 4.166
410 2HB PHE 53 HB3 PHE 53 10.944 3.288 3.288
411 HD1 PHE 53 HD2 PHE 53 13.224 4.538 4.538
412 HD2 PHE 53 HD1 PHE 53 9.401 3.447 3.447
413 HE1 PHE 53 HE2 PHE 53 14.191 4.285 4.285
414 HE2 PHE 53 HE1 PHE 53 10.369 3.195 3.195
415 HZ PHE 53 HZ PHE 53 12.753 3.618 3.618
416 H LYS 54 HN LYS 54 9.750 3.815 3.815
417 HA LYS 54 HA LYS 54 11.349 4.468 4.468
418 1HB LYS 54 HB2 LYS 54 12.141 2.333 2.333
419 2HB LYS 54 HB3 LYS 54 10.505 1.712 1.712
420 1HG LYS 54 HG2 LYS 54 11.262 0.841 0.841
421 2HG LYS 54 HG3 LYS 54 10.356 2.256 2.256
422 1HD LYS 54 HD2 LYS 54 13.124 2.986 2.986
423 2HD LYS 54 HD3 LYS 54 13.083 1.678 1.678
424 1HE LYS 54 HE2 LYS 54 11.647 2.960 2.960
425 2HE LYS 54 HE3 LYS 54 11.400 4.206 4.206
426 1HZ LYS 54 HZ3 LYS 54 14.052 3.532 3.532
427 2HZ LYS 54 HZ1 LYS 54 13.106 4.698 4.698
428 3HZ LYS 54 HZ2 LYS 54 13.643 4.837 4.837
429 H GLY 55 HN GLY 55 9.418 6.057 6.057
430 1HA GLY 55 HA1 GLY 55 7.132 4.700 4.700
431 2HA GLY 55 HA2 GLY 55 6.956 6.075 6.075
432 HA PRO 56 HA PRO 56 7.321 7.846 7.846
433 1HB PRO 56 HB2 PRO 56 5.221 9.583 9.583
434 2HB PRO 56 HB3 PRO 56 5.073 7.971 7.971
435 1HG PRO 56 HG2 PRO 56 4.179 8.969 8.969
436 2HG PRO 56 HG3 PRO 56 3.680 7.522 7.522
437 1HD PRO 56 HD2 PRO 56 5.487 7.667 7.667
438 2HD PRO 56 HD3 PRO 56 5.078 6.236 6.236
439 H GLU 57 HN GLU 57 7.222 10.363 10.363
440 HA GLU 57 HA GLU 57 9.134 11.451 11.451
441 1HB GLU 57 HB2 GLU 57 8.306 12.917 12.917
442 2HB GLU 57 HB3 GLU 57 9.894 12.773 12.773
443 1HG GLU 57 HG2 GLU 57 9.800 10.262 10.262
444 2HG GLU 57 HG3 GLU 57 8.403 10.667 10.667
445 H LYS 58 HN LYS 58 5.809 11.949 11.949
446 HA LYS 58 HA LYS 58 5.587 14.536 14.536
447 1HB LYS 58 HB2 LYS 58 4.349 13.473 13.473
448 2HB LYS 58 HB3 LYS 58 3.219 12.921 12.921
449 1HG LYS 58 HG2 LYS 58 2.266 14.980 14.980
450 2HG LYS 58 HG3 LYS 58 3.678 15.587 15.587
451 1HD LYS 58 HD2 LYS 58 3.840 15.224 15.224
452 2HD LYS 58 HD3 LYS 58 2.936 16.590 16.590
453 1HE LYS 58 HE2 LYS 58 5.367 16.518 16.518
454 2HE LYS 58 HE3 LYS 58 5.825 16.234 16.234
455 1HZ LYS 58 HZ1 LYS 58 4.054 18.426 18.426
456 2HZ LYS 58 HZ2 LYS 58 5.669 18.591 18.591
457 3HZ LYS 58 HZ3 LYS 58 4.743 18.211 18.211
458 H ASP 59 HN ASP 59 3.464 11.654 11.654
459 HA ASP 59 HA ASP 59 4.018 10.828 10.828
460 1HB ASP 59 HB2 ASP 59 4.186 12.942 12.942
461 2HB ASP 59 HB3 ASP 59 2.777 13.581 13.581
462 H ILE 60 HN ILE 60 1.889 10.175 10.175
463 HA ILE 60 HA ILE 60 -0.205 9.696 9.696
464 HB ILE 60 HB ILE 60 -0.005 8.241 8.241
465 1HG1 ILE 60 HG12 ILE 60 2.298 8.328 8.328
466 2HG1 ILE 60 HG13 ILE 60 1.636 6.729 6.729
467 1HG2 ILE 60 HG21 ILE 60 -1.912 8.012 8.012
468 2HG2 ILE 60 HG22 ILE 60 -0.738 7.192 7.192
469 3HG2 ILE 60 HG23 ILE 60 -1.123 6.513 6.513
470 1HD1 ILE 60 HD11 ILE 60 1.257 8.123 8.123
471 2HD1 ILE 60 HD12 ILE 60 2.744 7.214 7.214
472 3HD1 ILE 60 HD13 ILE 60 1.169 6.383 6.383
473 H GLU 61 HN GLU 61 -0.091 9.988 9.988
474 HA GLU 61 HA GLU 61 -1.208 11.261 11.261
475 1HB GLU 61 HB2 GLU 61 -1.233 12.871 12.871
476 2HB GLU 61 HB3 GLU 61 -2.786 13.035 13.035
477 1HG GLU 61 HG2 GLU 61 -1.069 13.193 13.193
478 2HG GLU 61 HG3 GLU 61 -0.090 13.923 13.923
479 H PHE 62 HN PHE 62 -2.522 9.301 9.301
480 HA PHE 62 HA PHE 62 -4.958 9.010 9.010
481 1HB PHE 62 HB2 PHE 62 -4.680 10.291 10.291
482 2HB PHE 62 HB3 PHE 62 -5.675 8.854 8.854
483 HD1 PHE 62 HD1 PHE 62 -7.445 8.686 8.686
484 HD2 PHE 62 HD2 PHE 62 -5.827 12.254 12.254
485 HE1 PHE 62 HE1 PHE 62 -9.422 9.974 9.974
486 HE2 PHE 62 HE2 PHE 62 -7.805 13.541 13.541
487 HZ PHE 62 HZ PHE 62 -9.578 12.386 12.386
488 H ILE 63 HN ILE 63 -4.493 6.909 6.909
489 HA ILE 63 HA ILE 63 -3.822 5.052 5.052
490 HB ILE 63 HB ILE 63 -3.513 4.377 4.377
491 1HG1 ILE 63 HG12 ILE 63 -2.450 6.734 6.734
492 2HG1 ILE 63 HG13 ILE 63 -1.784 5.740 5.740
493 1HG2 ILE 63 HG23 ILE 63 -2.314 3.528 3.528
494 2HG2 ILE 63 HG21 ILE 63 -1.422 3.273 3.273
495 3HG2 ILE 63 HG22 ILE 63 -3.031 2.545 2.545
496 1HD1 ILE 63 HD11 ILE 63 -1.018 5.295 5.295
497 2HD1 ILE 63 HD12 ILE 63 -0.164 6.468 6.468
498 3HD1 ILE 63 HD13 ILE 63 -0.165 4.740 4.740
499 H TYR 64 HN TYR 64 -4.696 2.706 2.706
500 HA TYR 64 HA TYR 64 -7.508 3.054 3.054
501 1HB TYR 64 HB2 TYR 64 -6.025 1.454 1.454
502 2HB TYR 64 HB3 TYR 64 -7.627 0.955 0.955
503 HD1 TYR 64 HD1 TYR 64 -5.918 4.151 4.151
504 HD2 TYR 64 HD2 TYR 64 -9.374 1.651 1.651
505 HE1 TYR 64 HE1 TYR 64 -6.955 5.790 5.790
506 HE2 TYR 64 HE2 TYR 64 -10.400 3.300 3.300
507 HH TYR 64 HH TYR 64 -8.625 5.673 5.673
508 H THR 65 HN THR 65 -8.540 1.144 1.144
509 HA THR 65 HA THR 65 -7.141 -1.164 -1.164
510 HB THR 65 HB THR 65 -5.716 0.400 0.400
511 HG1 THR 65 HG1 THR 65 -6.266 -0.740 -0.740
512 1HG2 THR 65 HG22 THR 65 -8.426 1.296 1.296
513 2HG2 THR 65 HG23 THR 65 -7.116 1.185 1.185
514 3HG2 THR 65 HG21 THR 65 -6.938 2.247 2.247
515 H ALA 66 HN ALA 66 -8.296 -1.806 -1.806
516 HA ALA 66 HA ALA 66 -11.063 -1.983 -1.983
517 1HB ALA 66 HB3 ALA 66 -9.309 -3.396 -3.396
518 2HB ALA 66 HB1 ALA 66 -11.080 -3.566 -3.566
519 3HB ALA 66 HB2 ALA 66 -10.177 -4.072 -4.072
520 HA PRO 67 HA PRO 67 -12.398 0.979 0.979
521 1HB PRO 67 HB2 PRO 67 -15.042 0.325 0.325
522 2HB PRO 67 HB3 PRO 67 -14.389 1.261 1.261
523 1HG PRO 67 HG2 PRO 67 -15.244 -1.569 -1.569
524 2HG PRO 67 HG3 PRO 67 -14.999 -0.510 -0.510
525 1HD PRO 67 HD2 PRO 67 -13.234 -2.583 -2.583
526 2HD PRO 67 HD3 PRO 67 -12.938 -1.449 -1.449
527 H SER 68 HN SER 68 -13.836 -2.163 -2.163
528 HA SER 68 HA SER 68 -14.247 -1.739 -1.739
529 1HB SER 68 HB2 SER 68 -13.770 -4.087 -4.087
530 2HB SER 68 HB3 SER 68 -13.331 -4.379 -4.379
531 HG SER 68 HG SER 68 -15.424 -4.000 -4.000
532 H SER 69 HN SER 69 -12.767 -3.482 -3.482
533 HA SER 69 HA SER 69 -10.536 -1.900 -1.900
534 1HB SER 69 HB2 SER 69 -10.048 -3.607 -3.607
535 2HB SER 69 HB3 SER 69 -11.728 -3.108 -3.108
536 HG SER 69 HG SER 69 -11.583 -5.193 -5.193
537 H ALA 70 HN ALA 70 -9.940 -2.324 -2.324
538 HA ALA 70 HA ALA 70 -8.467 -3.121 -3.121
539 1HB ALA 70 HB1 ALA 70 -7.165 -2.983 -2.983
540 2HB ALA 70 HB2 ALA 70 -6.600 -4.470 -4.470
541 3HB ALA 70 HB3 ALA 70 -6.429 -2.899 -2.899
542 H VAL 71 HN VAL 71 -9.797 -4.638 -4.638
543 HA VAL 71 HA VAL 71 -9.626 -7.370 -7.370
544 HB VAL 71 HB VAL 71 -11.744 -7.691 -7.691
545 1HG1 VAL 71 HG11 VAL 71 -11.532 -5.290 -5.290
546 2HG1 VAL 71 HG12 VAL 71 -12.141 -4.761 -4.761
547 3HG1 VAL 71 HG13 VAL 71 -13.094 -5.897 -5.897
548 1HG2 VAL 71 HG21 VAL 71 -11.149 -6.026 -6.026
549 2HG2 VAL 71 HG22 VAL 71 -11.363 -7.790 -7.790
550 3HG2 VAL 71 HG23 VAL 71 -12.754 -6.706 -6.706
551 H CYS 72 HN CYS 72 -8.814 -5.176 -5.176
552 HA CYS 72 HA CYS 72 -7.475 -7.427 -7.427
553 1HB CYS 72 HB2 CYS 72 -8.853 -5.252 -5.252
554 2HB CYS 72 HB3 CYS 72 -8.102 -6.712 -6.712
555 H GLY 73 HN GLY 73 -7.022 -4.873 -4.873
556 1HA GLY 73 HA1 GLY 73 -4.573 -4.056 -4.056
557 2HA GLY 73 HA2 GLY 73 -5.736 -2.805 -2.805
558 H VAL 74 HN VAL 74 -4.251 -1.795 -1.795
559 HA VAL 74 HA VAL 74 -3.821 -3.370 -3.370
560 HB VAL 74 HB VAL 74 -2.239 -1.101 -1.101
561 1HG1 VAL 74 HG12 VAL 74 -1.906 -2.487 -2.487
562 2HG1 VAL 74 HG13 VAL 74 -0.675 -1.447 -1.447
563 3HG1 VAL 74 HG11 VAL 74 -2.252 -0.765 -0.765
564 1HG2 VAL 74 HG21 VAL 74 -2.091 -3.662 -3.662
565 2HG2 VAL 74 HG22 VAL 74 -0.646 -2.631 -2.631
566 3HG2 VAL 74 HG23 VAL 74 -1.055 -3.752 -3.752
567 H SER 75 HN SER 75 -5.636 -0.889 -0.889
568 HA SER 75 HA SER 75 -6.784 0.824 0.824
569 1HB SER 75 HB2 SER 75 -8.403 0.270 0.270
570 2HB SER 75 HB3 SER 75 -7.911 -1.286 -1.286
571 HG SER 75 HG SER 75 -7.999 -0.813 -0.813
572 H LEU 76 HN LEU 76 -4.995 2.336 2.336
573 HA LEU 76 HA LEU 76 -4.126 2.676 2.676
574 1HB LEU 76 HB2 LEU 76 -2.693 4.086 4.086
575 2HB LEU 76 HB3 LEU 76 -2.086 3.296 3.296
576 HG LEU 76 HG LEU 76 -2.940 1.146 1.146
577 1HD1 LEU 76 HD12 LEU 76 -2.945 3.253 3.253
578 2HD1 LEU 76 HD13 LEU 76 -1.426 2.380 2.380
579 3HD1 LEU 76 HD11 LEU 76 -2.977 1.510 1.510
580 1HD2 LEU 76 HD21 LEU 76 -0.483 2.274 2.274
581 2HD2 LEU 76 HD22 LEU 76 -0.878 0.575 0.575
582 3HD2 LEU 76 HD23 LEU 76 -0.232 1.622 1.622
583 H ASP 77 HN ASP 77 -4.599 4.552 4.552
584 HA ASP 77 HA ASP 77 -6.009 6.548 6.548
585 1HB ASP 77 HB2 ASP 77 -6.938 7.052 7.052
586 2HB ASP 77 HB3 ASP 77 -7.729 5.934 5.934
587 H VAL 78 HN VAL 78 -3.157 5.823 5.823
588 HA VAL 78 HA VAL 78 -1.437 7.051 7.051
589 HB VAL 78 HB VAL 78 -3.225 9.084 9.084
590 1HG1 VAL 78 HG13 VAL 78 -1.306 9.742 9.742
591 2HG1 VAL 78 HG11 VAL 78 -1.425 10.849 10.849
592 3HG1 VAL 78 HG12 VAL 78 -2.869 10.484 10.484
593 1HG2 VAL 78 HG21 VAL 78 -0.921 7.717 7.717
594 2HG2 VAL 78 HG22 VAL 78 -1.639 9.112 9.112
595 3HG2 VAL 78 HG23 VAL 78 -0.341 9.363 9.363
596 H GLY 79 HN GLY 79 -4.513 8.600 8.600
597 1HA GLY 79 HA1 GLY 79 -3.605 9.445 9.445
598 2HA GLY 79 HA2 GLY 79 -5.256 8.997 8.997
599 H GLY 80 HN GLY 80 -3.760 6.216 6.216
600 1HA GLY 80 HA1 GLY 80 -3.852 5.164 5.164
601 2HA GLY 80 HA2 GLY 80 -4.466 4.310 4.310
602 H LYS 81 HN LYS 81 -2.187 5.329 5.329
603 HA LYS 81 HA LYS 81 -0.108 3.579 3.579
604 1HB LYS 81 HB2 LYS 81 0.196 3.779 3.779
605 2HB LYS 81 HB3 LYS 81 -0.233 2.372 2.372
606 1HG LYS 81 HG2 LYS 81 -2.277 4.464 4.464
607 2HG LYS 81 HG3 LYS 81 -1.910 3.036 3.036
608 1HD LYS 81 HD2 LYS 81 -2.930 1.588 1.588
609 2HD LYS 81 HD3 LYS 81 -2.543 2.583 2.583
610 1HE LYS 81 HE2 LYS 81 -4.736 3.220 3.220
611 2HE LYS 81 HE3 LYS 81 -4.253 4.257 4.257
612 1HZ LYS 81 HZ2 LYS 81 -4.611 1.831 1.831
613 2HZ LYS 81 HZ3 LYS 81 -5.830 1.914 1.914
614 3HZ LYS 81 HZ1 LYS 81 -5.665 3.078 3.078
615 H LYS 82 HN LYS 82 0.225 5.569 5.569
616 HA LYS 82 HA LYS 82 1.093 7.934 7.934
617 1HB LYS 82 HB2 LYS 82 3.634 7.565 7.565
618 2HB LYS 82 HB3 LYS 82 2.686 7.131 7.131
619 1HG LYS 82 HG2 LYS 82 2.717 4.829 4.829
620 2HG LYS 82 HG3 LYS 82 4.362 5.431 5.431
621 1HD LYS 82 HD2 LYS 82 4.619 4.560 4.560
622 2HD LYS 82 HD3 LYS 82 3.321 5.574 5.574
623 1HE LYS 82 HE2 LYS 82 1.792 3.859 3.859
624 2HE LYS 82 HE3 LYS 82 2.360 3.239 3.239
625 1HZ LYS 82 HZ2 LYS 82 4.406 2.627 2.627
626 2HZ LYS 82 HZ3 LYS 82 3.247 2.586 2.586
627 3HZ LYS 82 HZ1 LYS 82 3.122 1.633 1.633
628 H GLU 83 HN GLU 83 3.359 5.799 5.799
629 HA GLU 83 HA GLU 83 2.223 6.732 6.732
630 1HB GLU 83 HB2 GLU 83 5.201 7.069 7.069
631 2HB GLU 83 HB3 GLU 83 4.089 7.900 7.900
632 1HG GLU 83 HG2 GLU 83 4.522 9.581 9.581
633 2HG GLU 83 HG3 GLU 83 3.065 8.875 8.875
634 H TYR 84 HN TYR 84 3.017 5.484 5.484
635 HA TYR 84 HA TYR 84 4.515 3.078 3.078
636 1HB TYR 84 HB2 TYR 84 2.756 1.842 1.842
637 2HB TYR 84 HB3 TYR 84 2.100 2.519 2.519
638 HD1 TYR 84 HD2 TYR 84 2.696 3.648 3.648
639 HD2 TYR 84 HD1 TYR 84 0.042 3.558 3.558
640 HE1 TYR 84 HE2 TYR 84 0.939 4.899 4.899
641 HE2 TYR 84 HE1 TYR 84 -1.706 4.811 4.811
642 HH TYR 84 HH TYR 84 -1.933 4.924 4.924
643 H LEU 85 HN LEU 85 5.567 2.018 2.018
644 HA LEU 85 HA LEU 85 6.301 3.935 3.935
645 1HB LEU 85 HB2 LEU 85 7.934 2.197 2.197
646 2HB LEU 85 HB3 LEU 85 8.068 2.738 2.738
647 HG LEU 85 HG LEU 85 8.243 0.191 0.191
648 1HD1 LEU 85 HD11 LEU 85 8.001 1.544 1.544
649 2HD1 LEU 85 HD12 LEU 85 6.534 0.538 0.538
650 3HD1 LEU 85 HD13 LEU 85 8.130 -0.228 -0.228
651 1HD2 LEU 85 HD22 LEU 85 6.104 0.053 0.053
652 2HD2 LEU 85 HD23 LEU 85 6.130 -1.018 -1.018
653 3HD2 LEU 85 HD21 LEU 85 5.249 0.526 0.526
654 H ILE 86 HN ILE 86 3.635 2.083 2.083
655 HA ILE 86 HA ILE 86 2.647 0.533 0.533
656 HB ILE 86 HB ILE 86 2.087 3.353 3.353
657 1HG1 ILE 86 HG12 ILE 86 -0.175 2.620 2.620
658 2HG1 ILE 86 HG13 ILE 86 0.193 1.035 1.035
659 1HG2 ILE 86 HG21 ILE 86 1.721 1.840 1.840
660 2HG2 ILE 86 HG22 ILE 86 0.600 3.139 3.139
661 3HG2 ILE 86 HG23 ILE 86 2.333 3.489 3.489
662 1HD1 ILE 86 HD11 ILE 86 1.930 1.619 1.619
663 2HD1 ILE 86 HD12 ILE 86 0.216 1.794 1.794
664 3HD1 ILE 86 HD13 ILE 86 0.807 0.259 0.259
665 H ALA 87 HN ALA 87 3.767 -0.855 -0.855
666 HA ALA 87 HA ALA 87 4.756 0.289 0.289
667 1HB ALA 87 HB2 ALA 87 6.178 -1.259 -1.259
668 2HB ALA 87 HB3 ALA 87 6.411 -1.853 -1.853
669 3HB ALA 87 HB1 ALA 87 6.820 -0.169 -0.169
670 H GLY 88 HN GLY 88 3.349 -0.439 -0.439
671 1HA GLY 88 HA1 GLY 88 2.820 -3.326 -3.326
672 2HA GLY 88 HA2 GLY 88 1.456 -2.225 -2.225
673 H LYS 89 HN LYS 89 1.469 -3.751 -3.751
674 HA LYS 89 HA LYS 89 3.039 -3.233 -3.233
675 1HB LYS 89 HB2 LYS 89 1.069 -3.801 -3.801
676 2HB LYS 89 HB3 LYS 89 1.312 -4.906 -4.906
677 1HG LYS 89 HG2 LYS 89 -0.339 -2.888 -2.888
678 2HG LYS 89 HG3 LYS 89 -0.956 -3.113 -3.113
679 1HD LYS 89 HD2 LYS 89 -1.553 -5.353 -5.353
680 2HD LYS 89 HD3 LYS 89 -0.343 -5.580 -5.580
681 1HE LYS 89 HE2 LYS 89 -1.974 -5.240 -5.240
682 2HE LYS 89 HE3 LYS 89 -2.020 -3.561 -3.561
683 1HZ LYS 89 HZ1 LYS 89 -3.573 -5.709 -5.709
684 2HZ LYS 89 HZ2 LYS 89 -4.164 -4.657 -4.657
685 3HZ LYS 89 HZ3 LYS 89 -3.663 -4.118 -4.118
686 H ALA 90 HN ALA 90 0.456 -1.158 -1.158
687 HA ALA 90 HA ALA 90 0.270 1.072 1.072
688 1HB ALA 90 HB3 ALA 90 2.796 0.933 0.933
689 2HB ALA 90 HB1 ALA 90 2.169 1.196 1.196
690 3HB ALA 90 HB2 ALA 90 1.866 2.404 2.404
691 H GLU 91 HN GLU 91 -0.475 2.736 2.736
692 HA GLU 91 HA GLU 91 -1.825 1.202 1.202
693 1HB GLU 91 HB2 GLU 91 -3.255 1.845 1.845
694 2HB GLU 91 HB3 GLU 91 -3.305 3.431 3.431
695 1HG GLU 91 HG2 GLU 91 -5.260 2.027 2.027
696 2HG GLU 91 HG3 GLU 91 -4.294 2.505 2.505
697 H GLY 92 HN GLY 92 0.456 3.399 3.399
698 1HA GLY 92 HA1 GLY 92 1.175 4.517 4.517
699 2HA GLY 92 HA2 GLY 92 -0.417 5.249 5.249
700 H ASP 93 HN ASP 93 -0.434 7.335 7.335
701 HA ASP 93 HA ASP 93 1.299 7.942 7.942
702 1HB ASP 93 HB2 ASP 93 0.896 9.435 9.435
703 2HB ASP 93 HB3 ASP 93 1.301 10.337 10.337
704 H GLY 94 HN GLY 94 0.363 9.498 9.498
705 1HA GLY 94 HA1 GLY 94 -1.233 10.826 10.826
706 2HA GLY 94 HA2 GLY 94 -2.117 10.819 10.819
707 H LYS 95 HN LYS 95 -1.493 7.599 7.599
708 HA LYS 95 HA LYS 95 -3.189 6.907 6.907
709 1HB LYS 95 HB2 LYS 95 -5.252 6.419 6.419
710 2HB LYS 95 HB3 LYS 95 -4.852 8.010 8.010
711 1HG LYS 95 HG2 LYS 95 -4.145 5.474 5.474
712 2HG LYS 95 HG3 LYS 95 -5.702 6.258 6.258
713 1HD LYS 95 HD2 LYS 95 -4.837 7.964 7.964
714 2HD LYS 95 HD3 LYS 95 -3.452 8.164 8.164
715 1HE LYS 95 HE2 LYS 95 -2.111 6.874 6.874
716 2HE LYS 95 HE3 LYS 95 -3.329 5.625 5.625
717 1HZ LYS 95 HZ3 LYS 95 -4.421 7.441 7.441
718 2HZ LYS 95 HZ1 LYS 95 -2.882 7.962 7.962
719 3HZ LYS 95 HZ2 LYS 95 -3.276 6.441 6.441
720 H MET 96 HN MET 96 -3.175 4.642 4.642
721 HA MET 96 HA MET 96 -2.057 3.043 3.043
722 1HB MET 96 HB2 MET 96 -0.482 2.110 2.110
723 2HB MET 96 HB3 MET 96 0.042 3.413 3.413
724 1HG MET 96 HG2 MET 96 -0.025 4.951 4.951
725 2HG MET 96 HG3 MET 96 -1.600 4.410 4.410
726 1HE MET 96 HE3 MET 96 1.861 4.711 4.711
727 2HE MET 96 HE1 MET 96 1.464 4.954 4.954
728 3HE MET 96 HE2 MET 96 2.468 3.570 3.570
729 H HIS 97 HN HIS 97 -1.533 0.692 0.692
730 HA HIS 97 HA HIS 97 -4.076 0.224 0.224
731 1HB HIS 97 HB2 HIS 97 -2.949 -1.109 -1.109
732 2HB HIS 97 HB3 HIS 97 -3.561 -2.192 -2.192
733 HD1 HIS 97 HD1 HIS 97 -4.898 -1.733 -1.733
734 HD2 HIS 97 HD2 HIS 97 -6.140 0.007 0.007
735 HE1 HIS 97 HE1 HIS 97 -7.354 -1.115 -1.115
736 H ILE 98 HN ILE 98 -3.890 -0.787 -0.787
737 HA ILE 98 HA ILE 98 -1.459 -2.294 -2.294
738 HB ILE 98 HB ILE 98 -1.031 -1.117 -1.117
739 1HG1 ILE 98 HG12 ILE 98 -3.339 0.651 0.651
740 2HG1 ILE 98 HG13 ILE 98 -3.215 -0.327 -0.327
741 1HG2 ILE 98 HG22 ILE 98 -0.148 -0.404 -0.404
742 2HG2 ILE 98 HG23 ILE 98 -1.094 1.066 1.066
743 3HG2 ILE 98 HG21 ILE 98 0.203 0.576 0.576
744 1HD1 ILE 98 HD12 ILE 98 -1.070 1.732 1.732
745 2HD1 ILE 98 HD13 ILE 98 -2.667 2.283 2.283
746 3HD1 ILE 98 HD11 ILE 98 -1.727 1.136 1.136
747 H THR 99 HN THR 99 -1.787 -4.021 -4.021
748 HA THR 99 HA THR 99 -4.372 -4.150 -4.150
749 HB THR 99 HB THR 99 -4.214 -6.684 -6.684
750 HG1 THR 99 HG1 THR 99 -3.210 -6.535 -6.535
751 1HG2 THR 99 HG23 THR 99 -5.709 -4.297 -4.297
752 2HG2 THR 99 HG21 THR 99 -5.244 -5.112 -5.112
753 3HG2 THR 99 HG22 THR 99 -6.171 -5.994 -5.994
754 H LEU 100 HN LEU 100 -4.454 -5.948 -5.948
755 HA LEU 100 HA LEU 100 -2.269 -5.788 -5.788
756 1HB LEU 100 HB2 LEU 100 -3.468 -7.096 -7.096
757 2HB LEU 100 HB3 LEU 100 -4.738 -6.460 -6.460
758 HG LEU 100 HG LEU 100 -3.479 -9.146 -9.146
759 1HD1 LEU 100 HD11 LEU 100 -4.490 -8.779 -8.779
760 2HD1 LEU 100 HD12 LEU 100 -6.034 -8.967 -8.967
761 3HD1 LEU 100 HD13 LEU 100 -4.816 -10.264 -10.264
762 1HD2 LEU 100 HD21 LEU 100 -5.519 -7.547 -7.547
763 2HD2 LEU 100 HD22 LEU 100 -4.844 -9.111 -9.111
764 3HD2 LEU 100 HD23 LEU 100 -6.232 -9.063 -9.063
765 H CYS 101 HN CYS 101 -3.183 -8.300 -8.300
766 HA CYS 101 HA CYS 101 -1.108 -10.047 -10.047
767 1HB CYS 101 HB2 CYS 101 -3.262 -10.274 -10.274
768 2HB CYS 101 HB3 CYS 101 -2.140 -9.847 -9.847
769 H ASP 102 HN ASP 102 -1.372 -7.109 -7.109
770 HA ASP 102 HA ASP 102 1.058 -7.514 -7.514
771 1HB ASP 102 HB2 ASP 102 -1.034 -5.875 -5.875
772 2HB ASP 102 HB3 ASP 102 -0.062 -4.757 -4.757
773 H PHE 103 HN PHE 103 2.919 -5.777 -5.777
774 HA PHE 103 HA PHE 103 3.825 -5.896 -5.896
775 1HB PHE 103 HB2 PHE 103 5.401 -5.954 -5.954
776 2HB PHE 103 HB3 PHE 103 4.658 -4.564 -4.564
777 HD1 PHE 103 HD2 PHE 103 5.193 -4.351 -4.351
778 HD2 PHE 103 HD1 PHE 103 6.949 -3.629 -3.629
779 HE1 PHE 103 HE2 PHE 103 6.895 -2.851 -2.851
780 HE2 PHE 103 HE1 PHE 103 8.652 -2.129 -2.129
781 HZ PHE 103 HZ PHE 103 8.605 -1.758 -1.758
782 H ILE 104 HN ILE 104 3.252 -4.579 -4.579
783 HA ILE 104 HA ILE 104 3.232 -1.763 -1.763
784 HB ILE 104 HB ILE 104 0.794 -1.620 -1.620
785 1HG1 ILE 104 HG12 ILE 104 0.735 -4.311 -4.311
786 2HG1 ILE 104 HG13 ILE 104 0.420 -4.014 -4.014
787 1HG2 ILE 104 HG21 ILE 104 1.985 -1.148 -1.148
788 2HG2 ILE 104 HG22 ILE 104 0.720 -2.308 -2.308
789 3HG2 ILE 104 HG23 ILE 104 0.279 -0.802 -0.802
790 1HD1 ILE 104 HD13 ILE 104 -1.453 -2.404 -2.404
791 2HD1 ILE 104 HD11 ILE 104 -1.236 -3.119 -3.119
792 3HD1 ILE 104 HD12 ILE 104 -1.737 -4.143 -4.143
793 H VAL 105 HN VAL 105 3.672 -0.765 -0.765
794 HA VAL 105 HA VAL 105 3.027 -2.082 -2.082
795 HB VAL 105 HB VAL 105 5.712 -1.738 -1.738
796 1HG1 VAL 105 HG11 VAL 105 3.823 -3.961 -3.961
797 2HG1 VAL 105 HG12 VAL 105 5.503 -4.430 -4.430
798 3HG1 VAL 105 HG13 VAL 105 5.100 -3.680 -3.680
799 1HG2 VAL 105 HG22 VAL 105 5.363 -2.918 -2.918
800 2HG2 VAL 105 HG23 VAL 105 6.214 -1.413 -1.413
801 3HG2 VAL 105 HG21 VAL 105 6.861 -2.981 -2.981
802 HA PRO 106 HA PRO 106 3.195 2.046 2.046
803 1HB PRO 106 HB2 PRO 106 3.551 1.830 1.830
804 2HB PRO 106 HB3 PRO 106 2.000 1.602 1.602
805 1HG PRO 106 HG2 PRO 106 3.828 -0.433 -0.433
806 2HG PRO 106 HG3 PRO 106 2.126 -0.583 -0.583
807 1HD PRO 106 HD2 PRO 106 4.332 -1.596 -1.596
808 2HD PRO 106 HD3 PRO 106 2.639 -1.643 -1.643
809 H TRP 107 HN TRP 107 5.822 0.419 0.419
810 HA TRP 107 HA TRP 107 7.945 1.032 1.032
811 1HB TRP 107 HB2 TRP 107 7.012 3.258 3.258
812 2HB TRP 107 HB3 TRP 107 7.143 3.742 3.742
813 HD1 TRP 107 HD1 TRP 107 9.709 2.157 2.157
814 HE1 TRP 107 HE1 TRP 107 12.022 3.418 3.418
815 HE3 TRP 107 HE3 TRP 107 8.280 5.478 5.478
816 HZ2 TRP 107 HZ2 TRP 107 12.974 5.614 5.614
817 HZ3 TRP 107 HZ3 TRP 107 9.962 7.147 7.147
818 HH2 TRP 107 HH2 TRP 107 12.240 7.250 7.250
819 H ASP 108 HN ASP 108 6.636 2.648 2.648
820 HA ASP 108 HA ASP 108 8.916 2.033 2.033
821 1HB ASP 108 HB2 ASP 108 7.348 3.865 3.865
822 2HB ASP 108 HB3 ASP 108 6.065 2.705 2.705
823 H THR 109 HN THR 109 8.413 -0.391 -0.391
824 HA THR 109 HA THR 109 7.804 -2.060 -2.060
825 HB THR 109 HB THR 109 6.006 -3.295 -3.295
826 HG1 THR 109 HG1 THR 109 6.095 -0.538 -0.538
827 1HG2 THR 109 HG23 THR 109 5.509 -1.817 -1.817
828 2HG2 THR 109 HG21 THR 109 5.221 -0.491 -0.491
829 3HG2 THR 109 HG22 THR 109 4.200 -1.949 -1.949
830 H LEU 110 HN LEU 110 8.080 -2.066 -2.066
831 HA LEU 110 HA LEU 110 8.937 -3.991 -3.991
832 1HB LEU 110 HB2 LEU 110 11.213 -2.177 -2.177
833 2HB LEU 110 HB3 LEU 110 11.198 -3.264 -3.264
834 HG LEU 110 HG LEU 110 9.282 -0.942 -0.942
835 1HD1 LEU 110 HD12 LEU 110 11.785 -0.380 -0.380
836 2HD1 LEU 110 HD13 LEU 110 11.632 -0.969 -0.969
837 3HD1 LEU 110 HD11 LEU 110 10.644 0.404 0.404
838 1HD2 LEU 110 HD23 LEU 110 9.214 -3.179 -3.179
839 2HD2 LEU 110 HD21 LEU 110 8.203 -1.715 -1.715
840 3HD2 LEU 110 HD22 LEU 110 9.714 -1.792 -1.792
841 H SER 111 HN SER 111 11.986 -3.634 -3.634
842 HA SER 111 HA SER 111 12.108 -5.002 -5.002
843 1HB SER 111 HB2 SER 111 11.108 -6.915 -6.915
844 2HB SER 111 HB3 SER 111 12.302 -7.529 -7.529
845 HG SER 111 HG SER 111 9.732 -7.407 -7.407
846 H THR 112 HN THR 112 13.079 -5.407 -5.407
847 HA THR 112 HA THR 112 15.576 -4.501 -4.501
848 HB THR 112 HB THR 112 15.381 -7.079 -7.079
849 HG1 THR 112 HG1 THR 112 16.393 -5.407 -5.407
850 1HG2 THR 112 HG23 THR 112 17.392 -6.614 -6.614
851 2HG2 THR 112 HG21 THR 112 17.888 -7.458 -7.458
852 3HG2 THR 112 HG22 THR 112 16.589 -8.130 -8.130
853 H THR 113 HN THR 113 14.398 -7.819 -7.819
854 HA THR 113 HA THR 113 15.562 -7.902 -7.902
855 HB THR 113 HB THR 113 12.938 -9.070 -9.070
856 HG1 THR 113 HG1 THR 113 15.722 -9.930 -9.930
857 1HG2 THR 113 HG21 THR 113 14.392 -9.408 -9.408
858 2HG2 THR 113 HG22 THR 113 13.895 -10.903 -10.903
859 3HG2 THR 113 HG23 THR 113 12.675 -9.687 -9.687
860 H GLN 114 HN GLN 114 12.862 -5.936 -5.936
861 HA GLN 114 HA GLN 114 12.005 -5.488 -5.488
862 1HB GLN 114 HB2 GLN 114 11.068 -4.669 -4.669
863 2HB GLN 114 HB3 GLN 114 10.590 -3.665 -3.665
864 1HG GLN 114 HG2 GLN 114 8.860 -5.171 -5.171
865 2HG GLN 114 HG3 GLN 114 10.030 -6.106 -6.106
866 1HE2 GLN 114 HE22 GLN 114 10.924 -8.212 -8.212
867 2HE2 GLN 114 HE21 GLN 114 11.687 -7.214 -7.214
868 H LYS 115 HN LYS 115 13.955 -3.918 -3.918
869 HA LYS 115 HA LYS 115 14.091 -1.402 -1.402
870 1HB LYS 115 HB2 LYS 115 15.150 -2.676 -2.676
871 2HB LYS 115 HB3 LYS 115 16.298 -1.584 -1.584
872 1HG LYS 115 HG2 LYS 115 14.963 0.292 0.292
873 2HG LYS 115 HG3 LYS 115 13.466 -0.606 -0.606
874 1HD LYS 115 HD2 LYS 115 15.334 -0.517 -0.517
875 2HD LYS 115 HD3 LYS 115 13.682 0.060 0.060
876 1HE LYS 115 HE2 LYS 115 13.076 -2.433 -2.433
877 2HE LYS 115 HE3 LYS 115 14.668 -2.814 -2.814
878 1HZ LYS 115 HZ1 LYS 115 13.891 -1.401 -1.401
879 2HZ LYS 115 HZ2 LYS 115 12.385 -1.699 -1.699
880 3HZ LYS 115 HZ3 LYS 115 13.359 -2.939 -2.939
881 H LYS 116 HN LYS 116 16.086 -4.396 -4.396
882 HA LYS 116 HA LYS 116 18.214 -3.320 -3.320
883 1HB LYS 116 HB2 LYS 116 19.001 -5.529 -5.529
884 2HB LYS 116 HB3 LYS 116 18.155 -5.451 -5.451
885 1HG LYS 116 HG2 LYS 116 17.001 -7.281 -7.281
886 2HG LYS 116 HG3 LYS 116 16.112 -6.181 -6.181
887 1HD LYS 116 HD2 LYS 116 18.742 -7.047 -7.047
888 2HD LYS 116 HD3 LYS 116 17.583 -8.346 -8.346
889 1HE LYS 116 HE2 LYS 116 16.505 -7.683 -7.683
890 2HE LYS 116 HE3 LYS 116 16.133 -6.145 -6.145
891 1HZ LYS 116 HZ1 LYS 116 18.796 -6.106 -6.106
892 2HZ LYS 116 HZ2 LYS 116 17.930 -6.644 -6.644
893 3HZ LYS 116 HZ3 LYS 116 17.566 -5.209 -5.209
894 H SER 117 HN SER 117 14.943 -4.108 -4.108
895 HA SER 117 HA SER 117 15.655 -4.431 -4.431
896 1HB SER 117 HB2 SER 117 13.626 -5.491 -5.491
897 2HB SER 117 HB3 SER 117 12.781 -4.273 -4.273
898 HG SER 117 HG SER 117 13.972 -6.689 -6.689
899 H LEU 118 HN LEU 118 14.924 -1.952 -1.952
900 HA LEU 118 HA LEU 118 13.398 -0.261 -0.261
901 1HB LEU 118 HB2 LEU 118 14.937 0.133 0.133
902 2HB LEU 118 HB3 LEU 118 14.167 1.470 1.470
903 HG LEU 118 HG LEU 118 12.809 -0.972 -0.972
904 1HD1 LEU 118 HD11 LEU 118 13.355 1.738 1.738
905 2HD1 LEU 118 HD12 LEU 118 11.639 1.276 1.276
906 3HD1 LEU 118 HD13 LEU 118 12.882 0.269 0.269
907 1HD2 LEU 118 HD23 LEU 118 11.740 1.194 1.194
908 2HD2 LEU 118 HD21 LEU 118 11.538 -0.571 -0.571
909 3HD2 LEU 118 HD22 LEU 118 10.689 0.343 0.343
910 H ASN 119 HN ASN 119 16.830 -1.007 -1.007
911 HA ASN 119 HA ASN 119 17.512 1.305 1.305
912 1HB ASN 119 HB2 ASN 119 19.844 0.759 0.759
913 2HB ASN 119 HB3 ASN 119 18.888 0.725 0.725
914 1HD2 ASN 119 HD22 ASN 119 19.185 -2.706 -2.706
915 2HD2 ASN 119 HD21 ASN 119 18.349 -1.226 -1.226
916 H HIS 120 HN HIS 120 16.098 -1.414 -1.414
917 HA HIS 120 HA HIS 120 18.063 -2.377 -2.377
918 1HB HIS 120 HB2 HIS 120 15.984 -3.595 -3.595
919 2HB HIS 120 HB3 HIS 120 15.653 -3.876 -3.876
920 HD1 HIS 120 HD1 HIS 120 16.553 -6.098 -6.098
921 HD2 HIS 120 HD2 HIS 120 19.088 -4.130 -4.130
922 HE1 HIS 120 HE1 HIS 120 18.566 -7.629 -7.629
923 H ARG 121 HN ARG 121 16.179 0.195 0.195
924 HA ARG 121 HA ARG 121 15.147 1.426 1.426
925 1HB ARG 121 HB2 ARG 121 16.921 -0.247 -0.247
926 2HB ARG 121 HB3 ARG 121 15.532 0.332 0.332
927 1HG ARG 121 HG2 ARG 121 17.035 2.289 2.289
928 2HG ARG 121 HG3 ARG 121 17.750 1.814 1.814
929 1HD ARG 121 HD2 ARG 121 14.843 2.612 2.612
930 2HD ARG 121 HD3 ARG 121 16.024 3.888 3.888
931 HE ARG 121 HE ARG 121 15.524 2.421 2.421
932 1HH1 ARG 121 HH22 ARG 121 18.050 4.056 4.056
933 2HH1 ARG 121 HH21 ARG 121 19.007 4.412 4.412
934 1HH2 ARG 121 HH12 ARG 121 16.787 2.890 2.890
935 2HH2 ARG 121 HH11 ARG 121 18.283 3.745 3.745
936 H TYR 122 HN TYR 122 14.888 -1.563 -1.563
937 HA TYR 122 HA TYR 122 12.158 -1.992 -1.992
938 1HB TYR 122 HB2 TYR 122 11.606 -0.420 -0.420
939 2HB TYR 122 HB3 TYR 122 13.111 -0.686 -0.686
940 HD1 TYR 122 HD2 TYR 122 10.098 -2.747 -2.747
941 HD2 TYR 122 HD1 TYR 122 12.875 -1.575 -1.575
942 HE1 TYR 122 HE2 TYR 122 8.885 -4.213 -4.213
943 HE2 TYR 122 HE1 TYR 122 11.652 -3.046 -3.046
944 HH TYR 122 HH TYR 122 9.895 -5.411 -5.411
945 H GLN 123 HN GLN 123 12.791 -4.092 -4.092
946 HA GLN 123 HA GLN 123 13.293 -6.193 -6.193
947 1HB GLN 123 HB2 GLN 123 11.348 -6.239 -6.239
948 2HB GLN 123 HB3 GLN 123 12.316 -5.720 -5.720
949 1HG GLN 123 HG2 GLN 123 13.642 -8.016 -8.016
950 2HG GLN 123 HG3 GLN 123 11.935 -8.412 -8.412
951 1HE2 GLN 123 HE22 GLN 123 12.838 -9.533 -9.533
952 2HE2 GLN 123 HE21 GLN 123 12.820 -9.984 -9.984
953 H MET 124 HN MET 124 15.559 -4.751 -4.751
954 HA MET 124 HA MET 124 17.143 -5.019 -5.019
955 1HB MET 124 HB2 MET 124 17.346 -4.006 -4.006
956 2HB MET 124 HB3 MET 124 18.802 -4.890 -4.890
957 1HG MET 124 HG2 MET 124 17.877 -3.092 -3.092
958 2HG MET 124 HG3 MET 124 18.282 -2.242 -2.242
959 1HE MET 124 HE2 MET 124 20.494 -3.605 -3.605
960 2HE MET 124 HE3 MET 124 21.968 -3.020 -3.020
961 3HE MET 124 HE1 MET 124 20.614 -1.905 -1.905
962 H GLY 125 HN GLY 125 16.191 -7.487 -7.487
963 1HA GLY 125 HA1 GLY 125 16.732 -9.666 -9.666
964 2HA GLY 125 HA2 GLY 125 18.405 -9.169 -9.169
965 H CYS 126 HN CYS 126 15.980 -8.230 -8.230
966 HA CYS 126 HA CYS 126 17.489 -9.233 -9.233
967 1HB CYS 126 HB2 CYS 126 15.910 -8.351 -8.351
968 2HB CYS 126 HB3 CYS 126 15.555 -7.466 -7.466
969 H GLU 127 HN GLU 127 15.683 -10.682 -10.682
970 HA GLU 127 HA GLU 127 14.395 -12.760 -12.760
971 1HB GLU 127 HB2 GLU 127 16.694 -13.379 -13.379
972 2HB GLU 127 HB3 GLU 127 17.216 -13.514 -13.514
973 1HG GLU 127 HG2 GLU 127 16.662 -15.747 -15.747
974 2HG GLU 127 HG3 GLU 127 15.450 -15.275 -15.275
Start of MODEL 28
1 H CYS 1 HN CYS 1 -6.483 -9.035 -9.035
2 HA CYS 1 HA CYS 1 -8.852 -8.545 -8.545
3 1HB CYS 1 HB2 CYS 1 -9.330 -10.771 -10.771
4 2HB CYS 1 HB3 CYS 1 -10.480 -10.227 -10.227
5 H SER 2 HN SER 2 -9.712 -11.655 -11.655
6 HA SER 2 HA SER 2 -8.353 -12.219 -12.219
7 1HB SER 2 HB2 SER 2 -9.418 -14.643 -14.643
8 2HB SER 2 HB3 SER 2 -10.125 -13.603 -13.603
9 HG SER 2 HG SER 2 -11.174 -14.109 -14.109
10 H CYS 3 HN CYS 3 -6.197 -11.702 -11.702
11 HA CYS 3 HA CYS 3 -5.241 -14.250 -14.250
12 1HB CYS 3 HB2 CYS 3 -5.172 -12.277 -12.277
13 2HB CYS 3 HB3 CYS 3 -4.092 -11.477 -11.477
14 H SER 4 HN SER 4 -2.953 -14.844 -14.844
15 HA SER 4 HA SER 4 -2.583 -14.227 -14.227
16 1HB SER 4 HB2 SER 4 -1.098 -16.131 -16.131
17 2HB SER 4 HB3 SER 4 -2.510 -16.592 -16.592
18 HG SER 4 HG SER 4 -0.282 -17.118 -17.118
19 HA PRO 5 HA PRO 5 0.517 -11.348 -11.348
20 1HB PRO 5 HB2 PRO 5 0.843 -10.127 -10.127
21 2HB PRO 5 HB3 PRO 5 -0.378 -9.643 -9.643
22 1HG PRO 5 HG2 PRO 5 -0.708 -11.168 -11.168
23 2HG PRO 5 HG3 PRO 5 -1.922 -10.320 -10.320
24 1HD PRO 5 HD2 PRO 5 -1.489 -13.154 -13.154
25 2HD PRO 5 HD3 PRO 5 -2.624 -12.297 -12.297
26 H VAL 6 HN VAL 6 2.603 -11.720 -11.720
27 HA VAL 6 HA VAL 6 4.207 -12.634 -12.634
28 HB VAL 6 HB VAL 6 3.086 -14.689 -14.689
29 1HG1 VAL 6 HG11 VAL 6 3.986 -13.582 -13.582
30 2HG1 VAL 6 HG12 VAL 6 4.700 -15.195 -15.195
31 3HG1 VAL 6 HG13 VAL 6 2.933 -14.985 -14.985
32 1HG2 VAL 6 HG23 VAL 6 5.962 -14.220 -14.220
33 2HG2 VAL 6 HG21 VAL 6 4.904 -15.474 -15.474
34 3HG2 VAL 6 HG22 VAL 6 5.595 -15.686 -15.686
35 H HIS 7 HN HIS 7 5.906 -13.776 -13.776
36 HA HIS 7 HA HIS 7 7.776 -12.936 -12.936
37 1HB HIS 7 HB2 HIS 7 7.035 -11.079 -11.079
38 2HB HIS 7 HB3 HIS 7 6.741 -12.793 -12.793
39 HD1 HIS 7 HD1 HIS 7 4.387 -13.374 -13.374
40 HD2 HIS 7 HD2 HIS 7 4.629 -9.777 -9.777
41 HE1 HIS 7 HE1 HIS 7 2.011 -12.453 -12.453
42 HA PRO 8 HA PRO 8 8.421 -9.406 -9.406
43 1HB PRO 8 HB2 PRO 8 10.825 -10.215 -10.215
44 2HB PRO 8 HB3 PRO 8 9.288 -10.585 -10.585
45 1HG PRO 8 HG2 PRO 8 11.063 -12.365 -12.365
46 2HG PRO 8 HG3 PRO 8 9.771 -12.795 -12.795
47 1HD PRO 8 HD2 PRO 8 9.669 -12.852 -12.852
48 2HD PRO 8 HD3 PRO 8 8.344 -13.170 -13.170
49 H GLN 9 HN GLN 9 10.369 -10.865 -10.865
50 HA GLN 9 HA GLN 9 11.566 -8.234 -8.234
51 1HB GLN 9 HB2 GLN 9 13.411 -9.593 -9.593
52 2HB GLN 9 HB3 GLN 9 12.702 -11.014 -11.014
53 1HG GLN 9 HG2 GLN 9 13.472 -10.476 -10.476
54 2HG GLN 9 HG3 GLN 9 13.138 -8.767 -8.767
55 1HE2 GLN 9 HE22 GLN 9 16.283 -7.851 -7.851
56 2HE2 GLN 9 HE21 GLN 9 14.607 -7.441 -7.441
57 H GLN 10 HN GLN 10 9.996 -11.107 -11.107
58 HA GLN 10 HA GLN 10 10.273 -10.306 -10.306
59 1HB GLN 10 HB2 GLN 10 7.885 -11.905 -11.905
60 2HB GLN 10 HB3 GLN 10 8.876 -12.122 -12.122
61 1HG GLN 10 HG2 GLN 10 10.795 -12.594 -12.594
62 2HG GLN 10 HG3 GLN 10 9.421 -12.982 -12.982
63 1HE2 GLN 10 HE22 GLN 10 8.441 -15.910 -15.910
64 2HE2 GLN 10 HE21 GLN 10 7.961 -14.623 -14.623
65 H ALA 11 HN ALA 11 8.603 -8.827 -8.827
66 HA ALA 11 HA ALA 11 6.307 -7.990 -7.990
67 1HB ALA 11 HB1 ALA 11 7.223 -7.988 -7.988
68 2HB ALA 11 HB2 ALA 11 6.604 -6.385 -6.385
69 3HB ALA 11 HB3 ALA 11 5.572 -7.824 -7.824
70 H PHE 12 HN PHE 12 9.541 -6.764 -6.764
71 HA PHE 12 HA PHE 12 8.955 -4.180 -4.180
72 1HB PHE 12 HB2 PHE 12 11.433 -5.551 -5.551
73 2HB PHE 12 HB3 PHE 12 11.433 -3.877 -3.877
74 HD1 PHE 12 HD1 PHE 12 8.933 -5.866 -5.866
75 HD2 PHE 12 HD2 PHE 12 11.568 -2.539 -2.539
76 HE1 PHE 12 HE1 PHE 12 8.101 -5.163 -5.163
77 HE2 PHE 12 HE2 PHE 12 10.736 -1.837 -1.837
78 HZ PHE 12 HZ PHE 12 9.012 -3.156 -3.156
79 H CYS 13 HN CYS 13 9.501 -7.135 -7.135
80 HA CYS 13 HA CYS 13 11.250 -6.027 -6.027
81 1HB CYS 13 HB2 CYS 13 11.011 -8.744 -8.744
82 2HB CYS 13 HB3 CYS 13 11.343 -8.650 -8.650
83 H ASN 14 HN ASN 14 8.071 -7.004 -7.004
84 HA ASN 14 HA ASN 14 7.344 -7.683 -7.683
85 1HB ASN 14 HB2 ASN 14 6.374 -8.381 -8.381
86 2HB ASN 14 HB3 ASN 14 5.081 -7.494 -7.494
87 1HD2 ASN 14 HD22 ASN 14 6.018 -11.302 -11.302
88 2HD2 ASN 14 HD21 ASN 14 6.772 -10.418 -10.418
89 H ALA 15 HN ALA 15 6.919 -5.212 -5.212
90 HA ALA 15 HA ALA 15 4.853 -3.738 -3.738
91 1HB ALA 15 HB1 ALA 15 7.291 -2.871 -2.871
92 2HB ALA 15 HB2 ALA 15 5.838 -1.875 -1.875
93 3HB ALA 15 HB3 ALA 15 5.720 -3.401 -3.401
94 H ASP 16 HN ASP 16 5.262 -1.331 -1.331
95 HA ASP 16 HA ASP 16 7.500 -1.227 -1.227
96 1HB ASP 16 HB2 ASP 16 4.653 -1.617 -1.617
97 2HB ASP 16 HB3 ASP 16 5.557 -0.408 -0.408
98 H VAL 17 HN VAL 17 5.922 0.119 0.119
99 HA VAL 17 HA VAL 17 6.568 2.781 2.781
100 HB VAL 17 HB VAL 17 4.413 2.458 2.458
101 1HG1 VAL 17 HG12 VAL 17 3.497 0.953 0.953
102 2HG1 VAL 17 HG13 VAL 17 3.023 2.492 2.492
103 3HG1 VAL 17 HG11 VAL 17 2.381 2.056 2.056
104 1HG2 VAL 17 HG21 VAL 17 5.325 4.658 4.658
105 2HG2 VAL 17 HG22 VAL 17 3.656 4.607 4.607
106 3HG2 VAL 17 HG23 VAL 17 3.964 4.458 4.458
107 H VAL 18 HN VAL 18 7.874 2.494 2.494
108 HA VAL 18 HA VAL 18 6.387 2.069 2.069
109 HB VAL 18 HB VAL 18 9.323 2.347 2.347
110 1HG1 VAL 18 HG13 VAL 18 7.203 1.054 1.054
111 2HG1 VAL 18 HG11 VAL 18 8.489 -0.109 -0.109
112 3HG1 VAL 18 HG12 VAL 18 8.886 1.388 1.388
113 1HG2 VAL 18 HG22 VAL 18 7.949 0.385 0.385
114 2HG2 VAL 18 HG23 VAL 18 9.558 1.134 1.134
115 3HG2 VAL 18 HG21 VAL 18 9.300 -0.216 -0.216
116 H ILE 19 HN ILE 19 5.727 3.812 3.812
117 HA ILE 19 HA ILE 19 7.471 6.136 6.136
118 HB ILE 19 HB ILE 19 5.749 7.681 7.681
119 1HG1 ILE 19 HG12 ILE 19 3.968 5.287 5.287
120 2HG1 ILE 19 HG13 ILE 19 3.719 6.915 6.915
121 1HG2 ILE 19 HG21 ILE 19 7.105 6.552 6.552
122 2HG2 ILE 19 HG22 ILE 19 5.682 5.530 5.530
123 3HG2 ILE 19 HG23 ILE 19 5.574 7.295 7.295
124 1HD1 ILE 19 HD13 ILE 19 3.694 7.604 7.604
125 2HD1 ILE 19 HD11 ILE 19 3.401 5.871 5.871
126 3HD1 ILE 19 HD12 ILE 19 2.255 6.818 6.818
127 H ARG 20 HN ARG 20 7.686 6.862 6.862
128 HA ARG 20 HA ARG 20 6.161 5.547 5.547
129 1HB ARG 20 HB2 ARG 20 8.640 6.238 6.238
130 2HB ARG 20 HB3 ARG 20 8.091 7.889 7.889
131 1HG ARG 20 HG2 ARG 20 6.694 7.086 7.086
132 2HG ARG 20 HG3 ARG 20 7.455 5.516 5.516
133 1HD ARG 20 HD2 ARG 20 8.526 7.137 7.137
134 2HD ARG 20 HD3 ARG 20 9.618 6.364 6.364
135 HE ARG 20 HE ARG 20 9.587 8.468 8.468
136 1HH1 ARG 20 HH22 ARG 20 8.398 8.621 8.621
137 2HH1 ARG 20 HH21 ARG 20 8.669 10.326 10.326
138 1HH2 ARG 20 HH12 ARG 20 9.944 10.716 10.716
139 2HH2 ARG 20 HH11 ARG 20 9.553 11.525 11.525
140 H THR 21 HN THR 21 4.444 7.056 7.056
141 HA THR 21 HA THR 21 3.919 9.648 9.648
142 HB THR 21 HB THR 21 3.140 8.865 8.865
143 HG1 THR 21 HG1 THR 21 1.298 10.019 10.019
144 1HG2 THR 21 HG21 THR 21 2.741 6.411 6.411
145 2HG2 THR 21 HG22 THR 21 1.140 7.042 7.042
146 3HG2 THR 21 HG23 THR 21 1.646 7.048 7.048
147 H LYS 22 HN LYS 22 1.609 10.184 10.184
148 HA LYS 22 HA LYS 22 1.161 8.372 8.372
149 1HB LYS 22 HB2 LYS 22 0.924 10.251 10.251
150 2HB LYS 22 HB3 LYS 22 2.484 10.348 10.348
151 1HG LYS 22 HG2 LYS 22 1.658 12.036 12.036
152 2HG LYS 22 HG3 LYS 22 0.015 11.838 11.838
153 1HD LYS 22 HD2 LYS 22 2.376 13.064 13.064
154 2HD LYS 22 HD3 LYS 22 0.842 13.814 13.814
155 1HE LYS 22 HE2 LYS 22 -0.239 11.985 11.985
156 2HE LYS 22 HE3 LYS 22 1.387 11.659 11.659
157 1HZ LYS 22 HZ2 LYS 22 0.074 14.288 14.288
158 2HZ LYS 22 HZ3 LYS 22 0.257 13.278 13.278
159 3HZ LYS 22 HZ1 LYS 22 1.569 13.951 13.951
160 H ALA 23 HN ALA 23 -0.869 7.585 7.585
161 HA ALA 23 HA ALA 23 -2.844 8.957 8.957
162 1HB ALA 23 HB1 ALA 23 -2.455 6.559 6.559
163 2HB ALA 23 HB2 ALA 23 -2.822 6.213 6.213
164 3HB ALA 23 HB3 ALA 23 -4.097 6.832 6.832
165 H VAL 24 HN VAL 24 -3.850 10.596 10.596
166 HA VAL 24 HA VAL 24 -4.644 10.028 10.028
167 HB VAL 24 HB VAL 24 -4.895 12.579 12.579
168 1HG1 VAL 24 HG11 VAL 24 -2.426 10.931 10.931
169 2HG1 VAL 24 HG12 VAL 24 -2.191 12.694 12.694
170 3HG1 VAL 24 HG13 VAL 24 -3.158 11.976 11.976
171 1HG2 VAL 24 HG22 VAL 24 -4.725 12.771 12.771
172 2HG2 VAL 24 HG23 VAL 24 -3.692 13.882 13.882
173 3HG2 VAL 24 HG21 VAL 24 -2.985 12.435 12.435
174 H SER 25 HN SER 25 -5.683 11.198 11.198
175 HA SER 25 HA SER 25 -8.420 11.058 11.058
176 1HB SER 25 HB2 SER 25 -8.268 13.204 13.204
177 2HB SER 25 HB3 SER 25 -7.037 12.770 12.770
178 HG SER 25 HG SER 25 -9.111 13.236 13.236
179 H GLU 26 HN GLU 26 -10.060 10.222 10.222
180 HA GLU 26 HA GLU 26 -8.896 8.519 8.519
181 1HB GLU 26 HB2 GLU 26 -10.438 7.473 7.473
182 2HB GLU 26 HB3 GLU 26 -10.404 6.583 6.583
183 1HG GLU 26 HG2 GLU 26 -8.460 5.663 5.663
184 2HG GLU 26 HG3 GLU 26 -7.712 7.206 7.206
185 H LYS 27 HN LYS 27 -11.116 7.098 7.098
186 HA LYS 27 HA LYS 27 -13.407 8.831 8.831
187 1HB LYS 27 HB2 LYS 27 -11.990 9.920 9.920
188 2HB LYS 27 HB3 LYS 27 -11.794 8.403 8.403
189 1HG LYS 27 HG2 LYS 27 -13.993 8.394 8.394
190 2HG LYS 27 HG3 LYS 27 -14.609 9.314 9.314
191 1HD LYS 27 HD2 LYS 27 -14.450 10.528 10.528
192 2HD LYS 27 HD3 LYS 27 -13.859 11.384 11.384
193 1HE LYS 27 HE2 LYS 27 -11.544 10.834 10.834
194 2HE LYS 27 HE3 LYS 27 -12.035 9.708 9.708
195 1HZ LYS 27 HZ3 LYS 27 -13.099 12.323 12.323
196 2HZ LYS 27 HZ1 LYS 27 -11.466 12.294 12.294
197 3HZ LYS 27 HZ2 LYS 27 -12.314 11.362 11.362
198 H GLU 28 HN GLU 28 -14.994 7.394 7.394
199 HA GLU 28 HA GLU 28 -14.611 4.664 4.664
200 1HB GLU 28 HB2 GLU 28 -15.827 5.285 5.285
201 2HB GLU 28 HB3 GLU 28 -16.987 6.223 6.223
202 1HG GLU 28 HG2 GLU 28 -17.092 3.688 3.688
203 2HG GLU 28 HG3 GLU 28 -16.901 3.316 3.316
204 H VAL 29 HN VAL 29 -14.445 4.395 4.395
205 HA VAL 29 HA VAL 29 -16.708 5.369 5.369
206 HB VAL 29 HB VAL 29 -15.220 4.753 4.753
207 1HG1 VAL 29 HG13 VAL 29 -15.286 7.023 7.023
208 2HG1 VAL 29 HG11 VAL 29 -13.547 6.641 6.641
209 3HG1 VAL 29 HG12 VAL 29 -14.415 6.858 6.858
210 1HG2 VAL 29 HG21 VAL 29 -13.793 3.318 3.318
211 2HG2 VAL 29 HG22 VAL 29 -13.218 3.763 3.763
212 3HG2 VAL 29 HG23 VAL 29 -12.785 4.768 4.768
213 H ASP 30 HN ASP 30 -18.219 3.783 3.783
214 HA ASP 30 HA ASP 30 -17.880 1.153 1.153
215 1HB ASP 30 HB2 ASP 30 -20.335 2.261 2.261
216 2HB ASP 30 HB3 ASP 30 -20.258 0.920 0.920
217 H SER 31 HN SER 31 -17.942 -0.695 -0.695
218 HA SER 31 HA SER 31 -17.982 -0.010 -0.010
219 1HB SER 31 HB2 SER 31 -15.714 -0.453 -0.453
220 2HB SER 31 HB3 SER 31 -15.949 -1.547 -1.547
221 HG SER 31 HG SER 31 -16.605 -2.126 -2.126
222 H GLY 32 HN GLY 32 -20.157 -0.945 -0.945
223 1HA GLY 32 HA1 GLY 32 -21.828 -2.446 -2.446
224 2HA GLY 32 HA2 GLY 32 -21.249 -2.968 -2.968
225 H ASN 33 HN ASN 33 -22.116 -5.101 -5.101
226 HA ASN 33 HA ASN 33 -20.403 -6.235 -6.235
227 1HB ASN 33 HB2 ASN 33 -22.398 -7.798 -7.798
228 2HB ASN 33 HB3 ASN 33 -21.920 -8.094 -8.094
229 1HD2 ASN 33 HD22 ASN 33 -25.218 -6.029 -6.029
230 2HD2 ASN 33 HD21 ASN 33 -24.382 -7.120 -7.120
231 H ASP 34 HN ASP 34 -19.420 -8.527 -8.527
232 HA ASP 34 HA ASP 34 -18.073 -8.305 -8.305
233 1HB ASP 34 HB2 ASP 34 -17.068 -8.833 -8.833
234 2HB ASP 34 HB3 ASP 34 -17.520 -10.478 -10.478
235 H ILE 35 HN ILE 35 -17.394 -11.150 -11.150
236 HA ILE 35 HA ILE 35 -19.850 -12.081 -12.081
237 HB ILE 35 HB ILE 35 -17.089 -13.299 -13.299
238 1HG1 ILE 35 HG12 ILE 35 -17.073 -12.542 -12.542
239 2HG1 ILE 35 HG13 ILE 35 -18.456 -11.539 -11.539
240 1HG2 ILE 35 HG21 ILE 35 -19.643 -14.156 -14.156
241 2HG2 ILE 35 HG22 ILE 35 -18.074 -14.519 -14.519
242 3HG2 ILE 35 HG23 ILE 35 -18.433 -15.122 -15.122
243 1HD1 ILE 35 HD13 ILE 35 -16.012 -11.394 -11.394
244 2HD1 ILE 35 HD11 ILE 35 -16.000 -10.558 -10.558
245 3HD1 ILE 35 HD12 ILE 35 -17.226 -10.139 -10.139
246 H TYR 36 HN TYR 36 -18.772 -11.972 -11.972
247 HA TYR 36 HA TYR 36 -19.789 -14.655 -14.655
248 1HB TYR 36 HB2 TYR 36 -17.446 -13.425 -13.425
249 2HB TYR 36 HB3 TYR 36 -18.462 -12.705 -12.705
250 HD1 TYR 36 HD1 TYR 36 -18.060 -16.155 -16.155
251 HD2 TYR 36 HD2 TYR 36 -18.257 -13.721 -13.721
252 HE1 TYR 36 HE1 TYR 36 -17.765 -18.219 -18.219
253 HE2 TYR 36 HE2 TYR 36 -17.962 -15.792 -15.792
254 HH TYR 36 HH TYR 36 -16.728 -18.440 -18.440
255 H GLY 37 HN GLY 37 -20.861 -11.509 -11.509
256 1HA GLY 37 HA1 GLY 37 -22.954 -10.755 -10.755
257 2HA GLY 37 HA2 GLY 37 -23.092 -12.005 -12.005
258 H ASN 38 HN ASN 38 -20.058 -10.962 -10.962
259 HA ASN 38 HA ASN 38 -20.935 -9.404 -9.404
260 1HB ASN 38 HB2 ASN 38 -18.355 -9.159 -9.159
261 2HB ASN 38 HB3 ASN 38 -19.027 -10.773 -10.773
262 1HD2 ASN 38 HD22 ASN 38 -16.021 -10.993 -10.993
263 2HD2 ASN 38 HD21 ASN 38 -16.431 -10.585 -10.585
264 HA PRO 39 HA PRO 39 -20.254 -5.486 -5.486
265 1HB PRO 39 HB2 PRO 39 -19.697 -3.912 -3.912
266 2HB PRO 39 HB3 PRO 39 -21.324 -4.384 -4.384
267 1HG PRO 39 HG2 PRO 39 -19.643 -5.399 -5.399
268 2HG PRO 39 HG3 PRO 39 -21.378 -5.533 -5.533
269 1HD PRO 39 HD2 PRO 39 -19.431 -7.593 -7.593
270 2HD PRO 39 HD3 PRO 39 -21.152 -7.690 -7.690
271 H ILE 40 HN ILE 40 -18.737 -4.622 -4.622
272 HA ILE 40 HA ILE 40 -16.058 -5.404 -5.404
273 HB ILE 40 HB ILE 40 -17.281 -3.578 -3.578
274 1HG1 ILE 40 HG12 ILE 40 -16.449 -6.490 -6.490
275 2HG1 ILE 40 HG13 ILE 40 -18.067 -5.842 -5.842
276 1HG2 ILE 40 HG23 ILE 40 -14.953 -2.961 -2.961
277 2HG2 ILE 40 HG21 ILE 40 -14.455 -4.660 -4.660
278 3HG2 ILE 40 HG22 ILE 40 -15.153 -3.786 -3.786
279 1HD1 ILE 40 HD13 ILE 40 -16.910 -4.470 -4.470
280 2HD1 ILE 40 HD11 ILE 40 -15.791 -5.852 -5.852
281 3HD1 ILE 40 HD12 ILE 40 -17.528 -6.123 -6.123
282 H LYS 41 HN LYS 41 -16.720 -2.057 -2.057
283 HA LYS 41 HA LYS 41 -16.265 -0.106 -0.106
284 1HB LYS 41 HB2 LYS 41 -17.562 -1.064 -1.064
285 2HB LYS 41 HB3 LYS 41 -16.028 -1.500 -1.500
286 1HG LYS 41 HG2 LYS 41 -15.296 0.892 0.892
287 2HG LYS 41 HG3 LYS 41 -16.830 1.328 1.328
288 1HD LYS 41 HD2 LYS 41 -16.974 -0.212 -0.212
289 2HD LYS 41 HD3 LYS 41 -16.364 1.427 1.427
290 1HE LYS 41 HE2 LYS 41 -18.439 2.141 2.141
291 2HE LYS 41 HE3 LYS 41 -19.063 0.529 0.529
292 1HZ LYS 41 HZ3 LYS 41 -18.702 0.995 0.995
293 2HZ LYS 41 HZ1 LYS 41 -18.388 2.551 2.551
294 3HZ LYS 41 HZ2 LYS 41 -19.857 1.913 1.913
295 H ARG 42 HN ARG 42 -14.384 0.913 0.913
296 HA ARG 42 HA ARG 42 -11.981 -0.416 -0.416
297 1HB ARG 42 HB2 ARG 42 -11.146 1.015 1.015
298 2HB ARG 42 HB3 ARG 42 -11.431 -0.713 -0.713
299 1HG ARG 42 HG2 ARG 42 -13.883 -0.233 -0.233
300 2HG ARG 42 HG3 ARG 42 -13.435 1.443 1.443
301 1HD ARG 42 HD2 ARG 42 -11.558 0.354 0.354
302 2HD ARG 42 HD3 ARG 42 -12.690 -0.982 -0.982
303 HE ARG 42 HE ARG 42 -14.247 1.307 1.307
304 1HH1 ARG 42 HH22 ARG 42 -11.493 -0.247 -0.247
305 2HH1 ARG 42 HH21 ARG 42 -11.899 0.321 0.321
306 1HH2 ARG 42 HH12 ARG 42 -14.783 2.057 2.057
307 2HH2 ARG 42 HH11 ARG 42 -13.782 1.640 1.640
308 H ILE 43 HN ILE 43 -12.531 1.190 1.190
309 HA ILE 43 HA ILE 43 -12.679 3.852 3.852
310 HB ILE 43 HB ILE 43 -11.695 1.899 1.899
311 1HG1 ILE 43 HG12 ILE 43 -12.902 3.498 3.498
312 2HG1 ILE 43 HG13 ILE 43 -13.281 4.472 4.472
313 1HG2 ILE 43 HG21 ILE 43 -10.470 4.664 4.664
314 2HG2 ILE 43 HG22 ILE 43 -10.579 3.630 3.630
315 3HG2 ILE 43 HG23 ILE 43 -9.642 3.088 3.088
316 1HD1 ILE 43 HD13 ILE 43 -13.866 1.601 1.601
317 2HD1 ILE 43 HD11 ILE 43 -14.798 2.338 2.338
318 3HD1 ILE 43 HD12 ILE 43 -14.889 3.024 3.024
319 H GLN 44 HN GLN 44 -11.288 5.658 5.658
320 HA GLN 44 HA GLN 44 -8.998 5.071 5.071
321 1HB GLN 44 HB2 GLN 44 -10.401 7.657 7.657
322 2HB GLN 44 HB3 GLN 44 -8.928 7.639 7.639
323 1HG GLN 44 HG2 GLN 44 -11.663 6.558 6.558
324 2HG GLN 44 HG3 GLN 44 -10.661 7.690 7.690
325 1HE2 GLN 44 HE22 GLN 44 -10.075 3.608 3.608
326 2HE2 GLN 44 HE21 GLN 44 -11.029 4.346 4.346
327 H TYR 45 HN TYR 45 -7.067 6.841 6.841
328 HA TYR 45 HA TYR 45 -6.545 6.827 6.827
329 1HB TYR 45 HB2 TYR 45 -5.191 5.453 5.453
330 2HB TYR 45 HB3 TYR 45 -4.087 6.325 6.325
331 HD1 TYR 45 HD2 TYR 45 -5.828 5.816 5.816
332 HD2 TYR 45 HD1 TYR 45 -4.280 3.274 3.274
333 HE1 TYR 45 HE2 TYR 45 -5.816 3.855 3.855
334 HE2 TYR 45 HE1 TYR 45 -4.274 1.321 1.321
335 HH TYR 45 HH TYR 45 -5.137 0.610 0.610
336 H GLU 46 HN GLU 46 -7.331 9.146 9.146
337 HA GLU 46 HA GLU 46 -5.692 10.719 10.719
338 1HB GLU 46 HB2 GLU 46 -8.110 11.091 11.091
339 2HB GLU 46 HB3 GLU 46 -7.189 11.903 11.903
340 1HG GLU 46 HG2 GLU 46 -6.210 13.451 13.451
341 2HG GLU 46 HG3 GLU 46 -6.868 12.545 12.545
342 H ILE 47 HN ILE 47 -3.580 9.734 9.734
343 HA ILE 47 HA ILE 47 -2.726 10.407 10.407
344 HB ILE 47 HB ILE 47 -0.499 9.818 9.818
345 1HG1 ILE 47 HG12 ILE 47 -1.890 9.957 9.957
346 2HG1 ILE 47 HG13 ILE 47 -0.362 10.662 10.662
347 1HG2 ILE 47 HG21 ILE 47 -2.798 8.176 8.176
348 2HG2 ILE 47 HG22 ILE 47 -1.845 7.592 7.592
349 3HG2 ILE 47 HG23 ILE 47 -1.092 7.721 7.721
350 1HD1 ILE 47 HD13 ILE 47 -0.092 7.850 7.850
351 2HD1 ILE 47 HD11 ILE 47 -0.859 8.064 8.064
352 3HD1 ILE 47 HD12 ILE 47 0.699 8.848 8.848
353 H LYS 48 HN LYS 48 -0.326 11.710 11.710
354 HA LYS 48 HA LYS 48 -1.023 14.302 14.302
355 1HB LYS 48 HB2 LYS 48 -1.312 14.005 14.005
356 2HB LYS 48 HB3 LYS 48 0.438 14.086 14.086
357 1HG LYS 48 HG2 LYS 48 -0.228 16.203 16.203
358 2HG LYS 48 HG3 LYS 48 -1.530 16.232 16.232
359 1HD LYS 48 HD2 LYS 48 0.513 17.626 17.626
360 2HD LYS 48 HD3 LYS 48 -0.006 16.485 16.485
361 1HE LYS 48 HE2 LYS 48 1.927 15.272 15.272
362 2HE LYS 48 HE3 LYS 48 1.910 15.281 15.281
363 1HZ LYS 48 HZ2 LYS 48 2.542 17.761 17.761
364 2HZ LYS 48 HZ3 LYS 48 3.685 16.595 16.595
365 3HZ LYS 48 HZ1 LYS 48 3.085 17.199 17.199
366 H GLN 49 HN GLN 49 0.933 11.659 11.659
367 HA GLN 49 HA GLN 49 2.930 11.248 11.248
368 1HB GLN 49 HB2 GLN 49 2.582 12.162 12.162
369 2HB GLN 49 HB3 GLN 49 2.096 13.718 13.718
370 1HG GLN 49 HG2 GLN 49 4.273 14.536 14.536
371 2HG GLN 49 HG3 GLN 49 4.975 12.961 12.961
372 1HE2 GLN 49 HE22 GLN 49 5.015 11.882 11.882
373 2HE2 GLN 49 HE21 GLN 49 4.720 11.337 11.337
374 H ILE 50 HN ILE 50 4.779 11.121 11.121
375 HA ILE 50 HA ILE 50 5.836 13.635 13.635
376 HB ILE 50 HB ILE 50 5.698 12.970 12.970
377 1HG1 ILE 50 HG12 ILE 50 6.895 10.432 10.432
378 2HG1 ILE 50 HG13 ILE 50 7.535 11.577 11.577
379 1HG2 ILE 50 HG22 ILE 50 3.471 12.233 12.233
380 2HG2 ILE 50 HG23 ILE 50 4.087 10.571 10.571
381 3HG2 ILE 50 HG21 ILE 50 3.894 11.593 11.593
382 1HD1 ILE 50 HD12 ILE 50 5.125 9.779 9.779
383 2HD1 ILE 50 HD13 ILE 50 6.791 9.407 9.407
384 3HD1 ILE 50 HD11 ILE 50 5.953 10.827 10.827
385 H LYS 51 HN LYS 51 6.284 10.410 10.410
386 HA LYS 51 HA LYS 51 8.949 11.181 11.181
387 1HB LYS 51 HB2 LYS 51 8.661 9.709 9.709
388 2HB LYS 51 HB3 LYS 51 9.071 8.508 8.508
389 1HG LYS 51 HG2 LYS 51 10.830 10.516 10.516
390 2HG LYS 51 HG3 LYS 51 10.703 10.778 10.778
391 1HD LYS 51 HD2 LYS 51 11.703 8.752 8.752
392 2HD LYS 51 HD3 LYS 51 11.039 7.928 7.928
393 1HE LYS 51 HE2 LYS 51 12.692 8.878 8.878
394 2HE LYS 51 HE3 LYS 51 13.185 10.069 10.069
395 1HZ LYS 51 HZ3 LYS 51 13.447 7.506 7.506
396 2HZ LYS 51 HZ1 LYS 51 14.217 7.551 7.551
397 3HZ LYS 51 HZ2 LYS 51 14.608 8.621 8.621
398 H MET 52 HN MET 52 9.865 9.535 9.535
399 HA MET 52 HA MET 52 7.816 7.841 7.841
400 1HB MET 52 HB2 MET 52 8.425 8.820 8.820
401 2HB MET 52 HB3 MET 52 7.463 9.862 9.862
402 1HG MET 52 HG2 MET 52 9.266 11.308 11.308
403 2HG MET 52 HG3 MET 52 10.475 10.073 10.073
404 1HE MET 52 HE3 MET 52 11.623 9.667 9.667
405 2HE MET 52 HE1 MET 52 11.503 10.341 10.341
406 3HE MET 52 HE2 MET 52 12.053 11.368 11.368
407 H PHE 53 HN PHE 53 9.508 6.401 6.401
408 HA PHE 53 HA PHE 53 12.089 6.132 6.132
409 1HB PHE 53 HB2 PHE 53 9.769 4.165 4.165
410 2HB PHE 53 HB3 PHE 53 11.376 3.531 3.531
411 HD1 PHE 53 HD2 PHE 53 13.165 5.007 5.007
412 HD2 PHE 53 HD1 PHE 53 9.153 3.931 3.931
413 HE1 PHE 53 HE2 PHE 53 13.660 5.151 5.151
414 HE2 PHE 53 HE1 PHE 53 9.649 4.074 4.074
415 HZ PHE 53 HZ PHE 53 11.896 4.683 4.683
416 H LYS 54 HN LYS 54 9.803 3.961 3.961
417 HA LYS 54 HA LYS 54 11.338 4.559 4.559
418 1HB LYS 54 HB2 LYS 54 11.287 2.118 2.118
419 2HB LYS 54 HB3 LYS 54 10.303 1.863 1.863
420 1HG LYS 54 HG2 LYS 54 12.724 1.364 1.364
421 2HG LYS 54 HG3 LYS 54 12.112 2.617 2.617
422 1HD LYS 54 HD2 LYS 54 13.069 3.884 3.884
423 2HD LYS 54 HD3 LYS 54 14.306 2.774 2.774
424 1HE LYS 54 HE2 LYS 54 14.862 4.147 4.147
425 2HE LYS 54 HE3 LYS 54 13.203 4.203 4.203
426 1HZ LYS 54 HZ1 LYS 54 14.127 5.794 5.794
427 2HZ LYS 54 HZ2 LYS 54 14.190 6.348 6.348
428 3HZ LYS 54 HZ3 LYS 54 12.749 5.980 5.980
429 H GLY 55 HN GLY 55 9.525 6.207 6.207
430 1HA GLY 55 HA1 GLY 55 7.161 4.905 4.905
431 2HA GLY 55 HA2 GLY 55 7.025 6.285 6.285
432 HA PRO 56 HA PRO 56 7.427 7.992 7.992
433 1HB PRO 56 HB2 PRO 56 5.274 9.671 9.671
434 2HB PRO 56 HB3 PRO 56 5.193 8.049 8.049
435 1HG PRO 56 HG2 PRO 56 4.183 9.049 9.049
436 2HG PRO 56 HG3 PRO 56 3.754 7.579 7.579
437 1HD PRO 56 HD2 PRO 56 5.480 7.800 7.800
438 2HD PRO 56 HD3 PRO 56 5.142 6.349 6.349
439 H GLU 57 HN GLU 57 7.262 10.507 10.507
440 HA GLU 57 HA GLU 57 9.080 11.667 11.667
441 1HB GLU 57 HB2 GLU 57 8.313 13.069 13.069
442 2HB GLU 57 HB3 GLU 57 9.871 12.990 12.990
443 1HG GLU 57 HG2 GLU 57 9.913 10.481 10.481
444 2HG GLU 57 HG3 GLU 57 8.517 10.790 10.790
445 H LYS 58 HN LYS 58 5.801 12.078 12.078
446 HA LYS 58 HA LYS 58 5.445 14.675 14.675
447 1HB LYS 58 HB2 LYS 58 4.276 13.440 13.440
448 2HB LYS 58 HB3 LYS 58 3.148 12.937 12.937
449 1HG LYS 58 HG2 LYS 58 2.155 14.970 14.970
450 2HG LYS 58 HG3 LYS 58 3.632 15.704 15.704
451 1HD LYS 58 HD2 LYS 58 3.025 15.102 15.102
452 2HD LYS 58 HD3 LYS 58 2.892 16.681 16.681
453 1HE LYS 58 HE2 LYS 58 5.386 16.417 16.417
454 2HE LYS 58 HE3 LYS 58 5.426 15.040 15.040
455 1HZ LYS 58 HZ1 LYS 58 4.353 16.761 16.761
456 2HZ LYS 58 HZ2 LYS 58 5.093 17.845 17.845
457 3HZ LYS 58 HZ3 LYS 58 5.973 16.704 16.704
458 H ASP 59 HN ASP 59 3.416 11.749 11.749
459 HA ASP 59 HA ASP 59 3.953 11.021 11.021
460 1HB ASP 59 HB2 ASP 59 4.122 13.151 13.151
461 2HB ASP 59 HB3 ASP 59 2.739 13.791 13.791
462 H ILE 60 HN ILE 60 1.842 10.379 10.379
463 HA ILE 60 HA ILE 60 -0.275 9.878 9.878
464 HB ILE 60 HB ILE 60 -0.047 8.431 8.431
465 1HG1 ILE 60 HG12 ILE 60 2.255 8.534 8.534
466 2HG1 ILE 60 HG13 ILE 60 1.605 6.931 6.931
467 1HG2 ILE 60 HG22 ILE 60 -1.976 8.129 8.129
468 2HG2 ILE 60 HG23 ILE 60 -0.836 7.477 7.477
469 3HG2 ILE 60 HG21 ILE 60 -1.070 6.638 6.638
470 1HD1 ILE 60 HD13 ILE 60 1.519 8.417 8.417
471 2HD1 ILE 60 HD11 ILE 60 2.641 7.099 7.099
472 3HD1 ILE 60 HD12 ILE 60 0.894 6.775 6.775
473 H GLU 61 HN GLU 61 -0.157 10.123 10.123
474 HA GLU 61 HA GLU 61 -1.258 11.390 11.390
475 1HB GLU 61 HB2 GLU 61 -1.286 13.035 13.035
476 2HB GLU 61 HB3 GLU 61 -2.811 13.220 13.220
477 1HG GLU 61 HG2 GLU 61 -1.030 13.307 13.307
478 2HG GLU 61 HG3 GLU 61 -0.069 14.034 14.034
479 H PHE 62 HN PHE 62 -2.603 9.518 9.518
480 HA PHE 62 HA PHE 62 -5.043 9.222 9.222
481 1HB PHE 62 HB2 PHE 62 -4.711 10.428 10.428
482 2HB PHE 62 HB3 PHE 62 -5.871 9.113 9.113
483 HD1 PHE 62 HD1 PHE 62 -7.815 9.247 9.247
484 HD2 PHE 62 HD2 PHE 62 -5.300 12.558 12.558
485 HE1 PHE 62 HE1 PHE 62 -9.572 10.807 10.807
486 HE2 PHE 62 HE2 PHE 62 -7.057 14.118 14.118
487 HZ PHE 62 HZ PHE 62 -9.173 13.224 13.224
488 H ILE 63 HN ILE 63 -4.437 7.123 7.123
489 HA ILE 63 HA ILE 63 -3.897 5.284 5.284
490 HB ILE 63 HB ILE 63 -3.439 4.591 4.591
491 1HG1 ILE 63 HG12 ILE 63 -2.238 6.865 6.865
492 2HG1 ILE 63 HG13 ILE 63 -1.996 6.246 6.246
493 1HG2 ILE 63 HG21 ILE 63 -2.145 3.843 3.843
494 2HG2 ILE 63 HG22 ILE 63 -1.531 3.342 3.342
495 3HG2 ILE 63 HG23 ILE 63 -3.146 2.820 2.820
496 1HD1 ILE 63 HD11 ILE 63 -0.631 5.007 5.007
497 2HD1 ILE 63 HD12 ILE 63 0.092 6.336 6.336
498 3HD1 ILE 63 HD13 ILE 63 -0.230 4.770 4.770
499 H TYR 64 HN TYR 64 -4.791 2.979 2.979
500 HA TYR 64 HA TYR 64 -7.522 3.280 3.280
501 1HB TYR 64 HB2 TYR 64 -6.233 1.765 1.765
502 2HB TYR 64 HB3 TYR 64 -7.829 1.327 1.327
503 HD1 TYR 64 HD1 TYR 64 -6.097 4.582 4.582
504 HD2 TYR 64 HD2 TYR 64 -9.509 2.083 2.083
505 HE1 TYR 64 HE1 TYR 64 -7.128 6.364 6.364
506 HE2 TYR 64 HE2 TYR 64 -10.528 3.873 3.873
507 HH TYR 64 HH TYR 64 -8.748 6.864 6.864
508 H THR 65 HN THR 65 -8.449 1.453 1.453
509 HA THR 65 HA THR 65 -6.933 -0.917 -0.917
510 HB THR 65 HB THR 65 -5.614 0.643 0.643
511 HG1 THR 65 HG1 THR 65 -5.986 -0.687 -0.687
512 1HG2 THR 65 HG21 THR 65 -8.375 1.363 1.363
513 2HG2 THR 65 HG22 THR 65 -7.106 1.217 1.217
514 3HG2 THR 65 HG23 THR 65 -6.915 2.377 2.377
515 H ALA 66 HN ALA 66 -8.047 -1.818 -1.818
516 HA ALA 66 HA ALA 66 -10.881 -1.825 -1.825
517 1HB ALA 66 HB3 ALA 66 -8.929 -3.870 -3.870
518 2HB ALA 66 HB1 ALA 66 -10.401 -3.945 -3.945
519 3HB ALA 66 HB2 ALA 66 -10.521 -4.050 -4.050
520 HA PRO 67 HA PRO 67 -11.797 0.048 0.048
521 1HB PRO 67 HB2 PRO 67 -14.425 -0.643 -0.643
522 2HB PRO 67 HB3 PRO 67 -13.890 0.669 0.669
523 1HG PRO 67 HG2 PRO 67 -14.835 -2.024 -2.024
524 2HG PRO 67 HG3 PRO 67 -14.706 -0.582 -0.582
525 1HD PRO 67 HD2 PRO 67 -12.928 -2.832 -2.832
526 2HD PRO 67 HD3 PRO 67 -12.737 -1.342 -1.342
527 H SER 68 HN SER 68 -13.631 -0.748 -0.748
528 HA SER 68 HA SER 68 -13.635 -1.897 -1.897
529 1HB SER 68 HB2 SER 68 -13.176 -4.004 -4.004
530 2HB SER 68 HB3 SER 68 -12.892 -4.490 -4.490
531 HG SER 68 HG SER 68 -15.068 -3.685 -3.685
532 H SER 69 HN SER 69 -12.042 -3.937 -3.937
533 HA SER 69 HA SER 69 -9.748 -2.457 -2.457
534 1HB SER 69 HB2 SER 69 -9.224 -4.262 -4.262
535 2HB SER 69 HB3 SER 69 -10.961 -4.032 -4.032
536 HG SER 69 HG SER 69 -10.017 -6.321 -6.321
537 H ALA 70 HN ALA 70 -9.435 -2.526 -2.526
538 HA ALA 70 HA ALA 70 -8.162 -3.151 -3.151
539 1HB ALA 70 HB3 ALA 70 -6.543 -2.879 -2.879
540 2HB ALA 70 HB1 ALA 70 -6.135 -4.532 -4.532
541 3HB ALA 70 HB2 ALA 70 -5.952 -3.170 -3.170
542 H VAL 71 HN VAL 71 -9.539 -4.648 -4.648
543 HA VAL 71 HA VAL 71 -9.239 -7.432 -7.432
544 HB VAL 71 HB VAL 71 -11.357 -7.737 -7.737
545 1HG1 VAL 71 HG13 VAL 71 -11.316 -5.537 -5.537
546 2HG1 VAL 71 HG11 VAL 71 -11.571 -4.729 -4.729
547 3HG1 VAL 71 HG12 VAL 71 -12.783 -5.878 -5.878
548 1HG2 VAL 71 HG23 VAL 71 -10.780 -5.973 -5.973
549 2HG2 VAL 71 HG21 VAL 71 -10.970 -7.743 -7.743
550 3HG2 VAL 71 HG22 VAL 71 -12.376 -6.689 -6.689
551 H CYS 72 HN CYS 72 -8.890 -5.182 -5.182
552 HA CYS 72 HA CYS 72 -7.361 -7.310 -7.310
553 1HB CYS 72 HB2 CYS 72 -8.806 -5.108 -5.108
554 2HB CYS 72 HB3 CYS 72 -8.082 -6.562 -6.562
555 H GLY 73 HN GLY 73 -6.890 -4.846 -4.846
556 1HA GLY 73 HA1 GLY 73 -4.474 -3.957 -3.957
557 2HA GLY 73 HA2 GLY 73 -5.665 -2.716 -2.716
558 H VAL 74 HN VAL 74 -4.204 -1.662 -1.662
559 HA VAL 74 HA VAL 74 -3.889 -3.157 -3.157
560 HB VAL 74 HB VAL 74 -2.161 -1.022 -1.022
561 1HG1 VAL 74 HG11 VAL 74 -1.978 -2.307 -2.307
562 2HG1 VAL 74 HG12 VAL 74 -0.680 -1.351 -1.351
563 3HG1 VAL 74 HG13 VAL 74 -2.242 -0.586 -0.586
564 1HG2 VAL 74 HG21 VAL 74 -2.093 -3.574 -3.574
565 2HG2 VAL 74 HG22 VAL 74 -0.589 -2.652 -2.652
566 3HG2 VAL 74 HG23 VAL 74 -1.187 -3.728 -3.728
567 H SER 75 HN SER 75 -5.732 -0.863 -0.863
568 HA SER 75 HA SER 75 -6.752 1.007 1.007
569 1HB SER 75 HB2 SER 75 -8.365 0.630 0.630
570 2HB SER 75 HB3 SER 75 -8.138 -0.867 -0.867
571 HG SER 75 HG SER 75 -8.000 -1.483 -1.483
572 H LEU 76 HN LEU 76 -4.950 2.485 2.485
573 HA LEU 76 HA LEU 76 -4.112 2.843 2.843
574 1HB LEU 76 HB2 LEU 76 -2.699 4.248 4.248
575 2HB LEU 76 HB3 LEU 76 -2.079 3.507 3.507
576 HG LEU 76 HG LEU 76 -2.929 1.316 1.316
577 1HD1 LEU 76 HD13 LEU 76 -2.882 3.384 3.384
578 2HD1 LEU 76 HD11 LEU 76 -1.333 2.541 2.541
579 3HD1 LEU 76 HD12 LEU 76 -2.863 1.637 1.637
580 1HD2 LEU 76 HD22 LEU 76 -0.503 2.424 2.424
581 2HD2 LEU 76 HD23 LEU 76 -0.888 0.728 0.728
582 3HD2 LEU 76 HD21 LEU 76 -0.189 1.783 1.783
583 H ASP 77 HN ASP 77 -4.523 4.749 4.749
584 HA ASP 77 HA ASP 77 -5.957 6.739 6.739
585 1HB ASP 77 HB2 ASP 77 -6.956 7.254 7.254
586 2HB ASP 77 HB3 ASP 77 -7.665 6.022 6.022
587 H VAL 78 HN VAL 78 -3.110 6.000 6.000
588 HA VAL 78 HA VAL 78 -1.394 7.216 7.216
589 HB VAL 78 HB VAL 78 -3.160 9.258 9.258
590 1HG1 VAL 78 HG13 VAL 78 -1.260 9.906 9.906
591 2HG1 VAL 78 HG11 VAL 78 -1.353 11.011 11.011
592 3HG1 VAL 78 HG12 VAL 78 -2.812 10.659 10.659
593 1HG2 VAL 78 HG21 VAL 78 -0.806 7.889 7.889
594 2HG2 VAL 78 HG22 VAL 78 -1.578 9.211 9.211
595 3HG2 VAL 78 HG23 VAL 78 -0.298 9.573 9.573
596 H GLY 79 HN GLY 79 -4.468 8.790 8.790
597 1HA GLY 79 HA1 GLY 79 -3.594 9.643 9.643
598 2HA GLY 79 HA2 GLY 79 -5.236 9.172 9.172
599 H GLY 80 HN GLY 80 -3.767 6.394 6.394
600 1HA GLY 80 HA1 GLY 80 -3.825 5.365 5.365
601 2HA GLY 80 HA2 GLY 80 -4.442 4.498 4.498
602 H LYS 81 HN LYS 81 -2.164 5.532 5.532
603 HA LYS 81 HA LYS 81 -0.086 3.774 3.774
604 1HB LYS 81 HB2 LYS 81 0.219 4.019 4.019
605 2HB LYS 81 HB3 LYS 81 -0.191 2.595 2.595
606 1HG LYS 81 HG2 LYS 81 -2.257 4.677 4.677
607 2HG LYS 81 HG3 LYS 81 -1.882 3.258 3.258
608 1HD LYS 81 HD2 LYS 81 -2.886 1.791 1.791
609 2HD LYS 81 HD3 LYS 81 -2.502 2.781 2.781
610 1HE LYS 81 HE2 LYS 81 -4.704 3.391 3.391
611 2HE LYS 81 HE3 LYS 81 -4.230 4.453 4.453
612 1HZ LYS 81 HZ2 LYS 81 -4.578 1.977 1.977
613 2HZ LYS 81 HZ3 LYS 81 -5.845 2.169 2.169
614 3HZ LYS 81 HZ1 LYS 81 -5.560 3.273 3.273
615 H LYS 82 HN LYS 82 0.235 5.823 5.823
616 HA LYS 82 HA LYS 82 1.097 8.170 8.170
617 1HB LYS 82 HB2 LYS 82 3.632 7.823 7.823
618 2HB LYS 82 HB3 LYS 82 2.654 7.372 7.372
619 1HG LYS 82 HG2 LYS 82 2.725 5.064 5.064
620 2HG LYS 82 HG3 LYS 82 4.362 5.690 5.690
621 1HD LYS 82 HD2 LYS 82 4.685 4.849 4.849
622 2HD LYS 82 HD3 LYS 82 3.397 5.862 5.862
623 1HE LYS 82 HE2 LYS 82 1.939 4.110 4.110
624 2HE LYS 82 HE3 LYS 82 2.328 3.555 3.555
625 1HZ LYS 82 HZ2 LYS 82 4.193 3.133 3.133
626 2HZ LYS 82 HZ3 LYS 82 2.960 2.095 2.095
627 3HZ LYS 82 HZ1 LYS 82 4.098 2.328 2.328
628 H GLU 83 HN GLU 83 3.329 5.945 5.945
629 HA GLU 83 HA GLU 83 2.287 6.922 6.922
630 1HB GLU 83 HB2 GLU 83 5.258 7.174 7.174
631 2HB GLU 83 HB3 GLU 83 4.132 8.121 8.121
632 1HG GLU 83 HG2 GLU 83 4.764 9.650 9.650
633 2HG GLU 83 HG3 GLU 83 3.259 9.014 9.014
634 H TYR 84 HN TYR 84 3.166 5.681 5.681
635 HA TYR 84 HA TYR 84 4.594 3.249 3.249
636 1HB TYR 84 HB2 TYR 84 2.822 2.009 2.009
637 2HB TYR 84 HB3 TYR 84 2.169 2.717 2.717
638 HD1 TYR 84 HD2 TYR 84 2.795 3.807 3.807
639 HD2 TYR 84 HD1 TYR 84 0.107 3.741 3.741
640 HE1 TYR 84 HE2 TYR 84 1.053 5.050 5.050
641 HE2 TYR 84 HE1 TYR 84 -1.626 4.984 4.984
642 HH TYR 84 HH TYR 84 -1.801 5.079 5.079
643 H LEU 85 HN LEU 85 5.635 2.168 2.168
644 HA LEU 85 HA LEU 85 6.383 4.062 4.062
645 1HB LEU 85 HB2 LEU 85 7.957 2.241 2.241
646 2HB LEU 85 HB3 LEU 85 8.157 2.877 2.877
647 HG LEU 85 HG LEU 85 8.301 0.311 0.311
648 1HD1 LEU 85 HD12 LEU 85 7.819 1.871 1.871
649 2HD1 LEU 85 HD13 LEU 85 6.555 0.620 0.620
650 3HD1 LEU 85 HD11 LEU 85 8.268 0.149 0.149
651 1HD2 LEU 85 HD21 LEU 85 5.298 0.676 0.676
652 2HD2 LEU 85 HD22 LEU 85 6.212 0.064 0.064
653 3HD2 LEU 85 HD23 LEU 85 6.164 -0.874 -0.874
654 H ILE 86 HN ILE 86 3.719 2.169 2.169
655 HA ILE 86 HA ILE 86 2.696 0.655 0.655
656 HB ILE 86 HB ILE 86 2.179 3.492 3.492
657 1HG1 ILE 86 HG12 ILE 86 -0.069 2.811 2.811
658 2HG1 ILE 86 HG13 ILE 86 0.216 1.223 1.223
659 1HG2 ILE 86 HG23 ILE 86 1.849 1.939 1.939
660 2HG2 ILE 86 HG21 ILE 86 0.608 3.129 3.129
661 3HG2 ILE 86 HG22 ILE 86 2.300 3.642 3.642
662 1HD1 ILE 86 HD12 ILE 86 2.038 1.776 1.776
663 2HD1 ILE 86 HD13 ILE 86 0.328 1.895 1.895
664 3HD1 ILE 86 HD11 ILE 86 0.946 0.394 0.394
665 H ALA 87 HN ALA 87 3.891 -0.740 -0.740
666 HA ALA 87 HA ALA 87 4.857 0.375 0.375
667 1HB ALA 87 HB3 ALA 87 6.348 -0.866 -0.866
668 2HB ALA 87 HB1 ALA 87 6.367 -1.944 -1.944
669 3HB ALA 87 HB2 ALA 87 6.935 -0.263 -0.263
670 H GLY 88 HN GLY 88 3.384 -0.322 -0.322
671 1HA GLY 88 HA1 GLY 88 2.831 -3.209 -3.209
672 2HA GLY 88 HA2 GLY 88 1.490 -2.081 -2.081
673 H LYS 89 HN LYS 89 1.833 -3.840 -3.840
674 HA LYS 89 HA LYS 89 3.352 -3.193 -3.193
675 1HB LYS 89 HB2 LYS 89 1.481 -4.949 -4.949
676 2HB LYS 89 HB3 LYS 89 0.399 -3.713 -3.713
677 1HG LYS 89 HG2 LYS 89 1.302 -3.759 -3.759
678 2HG LYS 89 HG3 LYS 89 2.924 -4.091 -4.091
679 1HD LYS 89 HD2 LYS 89 1.764 -6.431 -6.431
680 2HD LYS 89 HD3 LYS 89 0.683 -6.010 -6.010
681 1HE LYS 89 HE2 LYS 89 3.481 -5.559 -5.559
682 2HE LYS 89 HE3 LYS 89 3.240 -7.209 -7.209
683 1HZ LYS 89 HZ2 LYS 89 1.145 -6.969 -6.969
684 2HZ LYS 89 HZ3 LYS 89 2.065 -5.846 -5.846
685 3HZ LYS 89 HZ1 LYS 89 2.598 -7.385 -7.385
686 H ALA 90 HN ALA 90 0.763 -1.236 -1.236
687 HA ALA 90 HA ALA 90 0.409 0.960 0.960
688 1HB ALA 90 HB3 ALA 90 2.887 0.808 0.808
689 2HB ALA 90 HB1 ALA 90 1.981 1.225 1.225
690 3HB ALA 90 HB2 ALA 90 1.911 2.295 2.295
691 H GLU 91 HN GLU 91 -0.455 2.494 2.494
692 HA GLU 91 HA GLU 91 -1.992 0.745 0.745
693 1HB GLU 91 HB2 GLU 91 -3.239 1.628 1.628
694 2HB GLU 91 HB3 GLU 91 -3.314 3.146 3.146
695 1HG GLU 91 HG2 GLU 91 -5.351 1.814 1.814
696 2HG GLU 91 HG3 GLU 91 -4.446 2.025 2.025
697 H GLY 92 HN GLY 92 -0.676 3.982 3.982
698 1HA GLY 92 HA1 GLY 92 0.212 4.559 4.559
699 2HA GLY 92 HA2 GLY 92 -1.408 5.218 5.218
700 H ASP 93 HN ASP 93 -0.842 7.424 7.424
701 HA ASP 93 HA ASP 93 0.929 8.233 8.233
702 1HB ASP 93 HB2 ASP 93 0.163 9.329 9.329
703 2HB ASP 93 HB3 ASP 93 0.366 10.533 10.533
704 H GLY 94 HN GLY 94 0.101 9.497 9.497
705 1HA GLY 94 HA1 GLY 94 -1.351 10.862 10.862
706 2HA GLY 94 HA2 GLY 94 -2.428 10.875 10.875
707 H LYS 95 HN LYS 95 -1.781 7.661 7.661
708 HA LYS 95 HA LYS 95 -3.221 6.946 6.946
709 1HB LYS 95 HB2 LYS 95 -5.337 6.416 6.416
710 2HB LYS 95 HB3 LYS 95 -5.018 7.965 7.965
711 1HG LYS 95 HG2 LYS 95 -4.512 5.273 5.273
712 2HG LYS 95 HG3 LYS 95 -5.968 6.223 6.223
713 1HD LYS 95 HD2 LYS 95 -3.145 7.217 7.217
714 2HD LYS 95 HD3 LYS 95 -4.251 6.581 6.581
715 1HE LYS 95 HE2 LYS 95 -4.621 9.095 9.095
716 2HE LYS 95 HE3 LYS 95 -4.409 9.012 9.012
717 1HZ LYS 95 HZ1 LYS 95 -6.501 7.722 7.722
718 2HZ LYS 95 HZ2 LYS 95 -6.715 8.042 8.042
719 3HZ LYS 95 HZ3 LYS 95 -6.688 9.264 9.264
720 H MET 96 HN MET 96 -3.072 4.702 4.702
721 HA MET 96 HA MET 96 -1.943 3.152 3.152
722 1HB MET 96 HB2 MET 96 -0.680 2.472 2.472
723 2HB MET 96 HB3 MET 96 0.092 2.893 2.893
724 1HG MET 96 HG2 MET 96 -0.605 5.370 5.370
725 2HG MET 96 HG3 MET 96 -0.803 4.745 4.745
726 1HE MET 96 HE2 MET 96 0.784 3.704 3.704
727 2HE MET 96 HE3 MET 96 2.536 4.013 4.013
728 3HE MET 96 HE1 MET 96 1.400 5.360 5.360
729 H HIS 97 HN HIS 97 -1.335 0.861 0.861
730 HA HIS 97 HA HIS 97 -3.948 0.274 0.274
731 1HB HIS 97 HB2 HIS 97 -2.866 -0.854 -0.854
732 2HB HIS 97 HB3 HIS 97 -3.181 -2.100 -2.100
733 HD1 HIS 97 HD1 HIS 97 -5.117 -2.873 -2.873
734 HD2 HIS 97 HD2 HIS 97 -5.708 0.821 0.821
735 HE1 HIS 97 HE1 HIS 97 -7.585 -2.302 -2.302
736 H ILE 98 HN ILE 98 -3.730 -0.603 -0.603
737 HA ILE 98 HA ILE 98 -1.332 -2.172 -2.172
738 HB ILE 98 HB ILE 98 -0.834 -0.984 -0.984
739 1HG1 ILE 98 HG12 ILE 98 -3.339 0.556 0.556
740 2HG1 ILE 98 HG13 ILE 98 -2.866 -0.226 -0.226
741 1HG2 ILE 98 HG22 ILE 98 -0.188 -0.143 -0.143
742 2HG2 ILE 98 HG23 ILE 98 -1.046 1.306 1.306
743 3HG2 ILE 98 HG21 ILE 98 0.354 0.681 0.681
744 1HD1 ILE 98 HD13 ILE 98 -0.917 1.822 1.822
745 2HD1 ILE 98 HD11 ILE 98 -2.555 2.488 2.488
746 3HD1 ILE 98 HD12 ILE 98 -1.764 1.621 1.621
747 H THR 99 HN THR 99 -1.664 -3.851 -3.851
748 HA THR 99 HA THR 99 -4.261 -3.949 -3.949
749 HB THR 99 HB THR 99 -4.145 -6.492 -6.492
750 HG1 THR 99 HG1 THR 99 -2.959 -6.466 -6.466
751 1HG2 THR 99 HG21 THR 99 -5.605 -4.106 -4.106
752 2HG2 THR 99 HG22 THR 99 -5.110 -4.895 -4.895
753 3HG2 THR 99 HG23 THR 99 -6.068 -5.795 -5.795
754 H LEU 100 HN LEU 100 -4.362 -5.815 -5.815
755 HA LEU 100 HA LEU 100 -2.170 -5.638 -5.638
756 1HB LEU 100 HB2 LEU 100 -3.427 -6.821 -6.821
757 2HB LEU 100 HB3 LEU 100 -4.688 -6.318 -6.318
758 HG LEU 100 HG LEU 100 -3.311 -8.974 -8.974
759 1HD1 LEU 100 HD11 LEU 100 -5.637 -8.391 -8.391
760 2HD1 LEU 100 HD12 LEU 100 -5.104 -10.014 -10.014
761 3HD1 LEU 100 HD13 LEU 100 -4.020 -8.979 -8.979
762 1HD2 LEU 100 HD21 LEU 100 -4.928 -7.798 -7.798
763 2HD2 LEU 100 HD22 LEU 100 -5.073 -9.540 -9.540
764 3HD2 LEU 100 HD23 LEU 100 -6.191 -8.393 -8.393
765 H CYS 101 HN CYS 101 -3.120 -8.121 -8.121
766 HA CYS 101 HA CYS 101 -1.102 -9.927 -9.927
767 1HB CYS 101 HB2 CYS 101 -3.239 -10.093 -10.093
768 2HB CYS 101 HB3 CYS 101 -2.096 -9.677 -9.677
769 H ASP 102 HN ASP 102 -1.255 -6.961 -6.961
770 HA ASP 102 HA ASP 102 1.202 -7.432 -7.432
771 1HB ASP 102 HB2 ASP 102 -0.852 -5.784 -5.784
772 2HB ASP 102 HB3 ASP 102 0.084 -4.658 -4.658
773 H PHE 103 HN PHE 103 3.066 -5.696 -5.696
774 HA PHE 103 HA PHE 103 3.889 -5.783 -5.783
775 1HB PHE 103 HB2 PHE 103 5.532 -5.892 -5.892
776 2HB PHE 103 HB3 PHE 103 4.820 -4.529 -4.529
777 HD1 PHE 103 HD2 PHE 103 5.240 -4.206 -4.206
778 HD2 PHE 103 HD1 PHE 103 7.112 -3.594 -3.594
779 HE1 PHE 103 HE2 PHE 103 6.908 -2.672 -2.672
780 HE2 PHE 103 HE1 PHE 103 8.779 -2.060 -2.060
781 HZ PHE 103 HZ PHE 103 8.658 -1.617 -1.617
782 H ILE 104 HN ILE 104 3.259 -4.434 -4.434
783 HA ILE 104 HA ILE 104 3.289 -1.623 -1.623
784 HB ILE 104 HB ILE 104 0.825 -1.448 -1.448
785 1HG1 ILE 104 HG12 ILE 104 0.721 -4.108 -4.108
786 2HG1 ILE 104 HG13 ILE 104 0.510 -3.896 -3.896
787 1HG2 ILE 104 HG22 ILE 104 2.111 -1.053 -1.053
788 2HG2 ILE 104 HG23 ILE 104 0.790 -2.150 -2.150
789 3HG2 ILE 104 HG21 ILE 104 0.421 -0.612 -0.612
790 1HD1 ILE 104 HD12 ILE 104 -1.391 -2.253 -2.253
791 2HD1 ILE 104 HD13 ILE 104 -1.264 -2.823 -2.823
792 3HD1 ILE 104 HD11 ILE 104 -1.702 -3.962 -3.962
793 H VAL 105 HN VAL 105 3.777 -0.632 -0.632
794 HA VAL 105 HA VAL 105 3.002 -1.865 -1.865
795 HB VAL 105 HB VAL 105 5.679 -1.594 -1.594
796 1HG1 VAL 105 HG13 VAL 105 4.161 -4.094 -4.094
797 2HG1 VAL 105 HG11 VAL 105 5.717 -4.073 -4.073
798 3HG1 VAL 105 HG12 VAL 105 4.261 -3.396 -3.396
799 1HG2 VAL 105 HG23 VAL 105 5.366 -2.741 -2.741
800 2HG2 VAL 105 HG21 VAL 105 6.316 -1.319 -1.319
801 3HG2 VAL 105 HG22 VAL 105 6.816 -2.945 -2.945
802 HA PRO 106 HA PRO 106 3.256 2.284 2.284
803 1HB PRO 106 HB2 PRO 106 3.529 2.117 2.117
804 2HB PRO 106 HB3 PRO 106 1.995 1.918 1.918
805 1HG PRO 106 HG2 PRO 106 3.728 -0.146 -0.146
806 2HG PRO 106 HG3 PRO 106 2.034 -0.254 -0.254
807 1HD PRO 106 HD2 PRO 106 4.252 -1.365 -1.365
808 2HD PRO 106 HD3 PRO 106 2.571 -1.371 -1.371
809 H TRP 107 HN TRP 107 5.846 0.575 0.575
810 HA TRP 107 HA TRP 107 7.988 1.132 1.132
811 1HB TRP 107 HB2 TRP 107 6.995 3.434 3.434
812 2HB TRP 107 HB3 TRP 107 7.411 3.868 3.868
813 HD1 TRP 107 HD1 TRP 107 9.562 1.935 1.935
814 HE1 TRP 107 HE1 TRP 107 11.920 3.084 3.084
815 HE3 TRP 107 HE3 TRP 107 8.663 5.771 5.771
816 HZ2 TRP 107 HZ2 TRP 107 13.119 5.415 5.415
817 HZ3 TRP 107 HZ3 TRP 107 10.479 7.440 7.440
818 HH2 TRP 107 HH2 TRP 107 12.647 7.307 7.307
819 H ASP 108 HN ASP 108 6.671 2.813 2.813
820 HA ASP 108 HA ASP 108 8.895 2.104 2.104
821 1HB ASP 108 HB2 ASP 108 7.073 3.971 3.971
822 2HB ASP 108 HB3 ASP 108 6.138 2.715 2.715
823 H THR 109 HN THR 109 8.260 -0.301 -0.301
824 HA THR 109 HA THR 109 7.529 -1.907 -1.907
825 HB THR 109 HB THR 109 5.681 -3.048 -3.048
826 HG1 THR 109 HG1 THR 109 6.074 -0.327 -0.327
827 1HG2 THR 109 HG21 THR 109 5.258 -1.553 -1.553
828 2HG2 THR 109 HG22 THR 109 5.035 -0.214 -0.214
829 3HG2 THR 109 HG23 THR 109 3.947 -1.621 -1.621
830 H LEU 110 HN LEU 110 7.855 -1.958 -1.958
831 HA LEU 110 HA LEU 110 8.614 -3.912 -3.912
832 1HB LEU 110 HB2 LEU 110 11.005 -2.310 -2.310
833 2HB LEU 110 HB3 LEU 110 10.942 -3.366 -3.366
834 HG LEU 110 HG LEU 110 9.262 -0.867 -0.867
835 1HD1 LEU 110 HD13 LEU 110 11.839 -0.644 -0.644
836 2HD1 LEU 110 HD11 LEU 110 11.546 -1.123 -1.123
837 3HD1 LEU 110 HD12 LEU 110 10.770 0.337 0.337
838 1HD2 LEU 110 HD21 LEU 110 8.928 -3.075 -3.075
839 2HD2 LEU 110 HD22 LEU 110 8.092 -1.504 -1.504
840 3HD2 LEU 110 HD23 LEU 110 9.580 -1.752 -1.752
841 H SER 111 HN SER 111 11.607 -3.805 -3.805
842 HA SER 111 HA SER 111 11.498 -5.237 -5.237
843 1HB SER 111 HB2 SER 111 10.547 -7.023 -7.023
844 2HB SER 111 HB3 SER 111 11.618 -7.739 -7.739
845 HG SER 111 HG SER 111 9.062 -7.557 -7.557
846 H THR 112 HN THR 112 12.682 -5.598 -5.598
847 HA THR 112 HA THR 112 15.202 -4.829 -4.829
848 HB THR 112 HB THR 112 14.801 -7.439 -7.439
849 HG1 THR 112 HG1 THR 112 16.796 -5.287 -5.287
850 1HG2 THR 112 HG21 THR 112 17.155 -6.860 -6.860
851 2HG2 THR 112 HG22 THR 112 17.279 -7.960 -7.960
852 3HG2 THR 112 HG23 THR 112 16.163 -8.337 -8.337
853 H THR 113 HN THR 113 13.876 -8.065 -8.065
854 HA THR 113 HA THR 113 15.219 -8.152 -8.152
855 HB THR 113 HB THR 113 12.703 -9.404 -9.404
856 HG1 THR 113 HG1 THR 113 14.258 -10.989 -10.989
857 1HG2 THR 113 HG23 THR 113 12.467 -9.206 -9.206
858 2HG2 THR 113 HG21 THR 113 13.974 -10.145 -10.145
859 3HG2 THR 113 HG22 THR 113 12.531 -10.872 -10.872
860 H GLN 114 HN GLN 114 12.470 -6.209 -6.209
861 HA GLN 114 HA GLN 114 11.614 -5.798 -5.798
862 1HB GLN 114 HB2 GLN 114 10.789 -4.868 -4.868
863 2HB GLN 114 HB3 GLN 114 10.376 -3.814 -3.814
864 1HG GLN 114 HG2 GLN 114 8.519 -5.179 -5.179
865 2HG GLN 114 HG3 GLN 114 9.577 -6.151 -6.151
866 1HE2 GLN 114 HE22 GLN 114 10.436 -8.447 -8.447
867 2HE2 GLN 114 HE21 GLN 114 11.217 -7.452 -7.452
868 H LYS 115 HN LYS 115 13.691 -4.172 -4.172
869 HA LYS 115 HA LYS 115 13.909 -1.742 -1.742
870 1HB LYS 115 HB2 LYS 115 14.999 -2.954 -2.954
871 2HB LYS 115 HB3 LYS 115 16.172 -1.962 -1.962
872 1HG LYS 115 HG2 LYS 115 14.982 -0.005 -0.005
873 2HG LYS 115 HG3 LYS 115 13.424 -0.798 -0.798
874 1HD LYS 115 HD2 LYS 115 15.292 -0.794 -0.794
875 2HD LYS 115 HD3 LYS 115 13.690 -0.090 -0.090
876 1HE LYS 115 HE2 LYS 115 12.899 -2.547 -2.547
877 2HE LYS 115 HE3 LYS 115 14.451 -3.028 -3.028
878 1HZ LYS 115 HZ3 LYS 115 13.784 -1.549 -1.549
879 2HZ LYS 115 HZ1 LYS 115 12.263 -1.657 -1.657
880 3HZ LYS 115 HZ2 LYS 115 13.062 -3.008 -3.008
881 H LYS 116 HN LYS 116 15.917 -4.743 -4.743
882 HA LYS 116 HA LYS 116 17.921 -3.804 -3.804
883 1HB LYS 116 HB2 LYS 116 18.434 -6.282 -6.282
884 2HB LYS 116 HB3 LYS 116 18.466 -5.607 -5.607
885 1HG LYS 116 HG2 LYS 116 16.581 -6.767 -6.767
886 2HG LYS 116 HG3 LYS 116 15.813 -6.662 -6.662
887 1HD LYS 116 HD2 LYS 116 18.089 -8.267 -8.267
888 2HD LYS 116 HD3 LYS 116 17.506 -8.798 -8.798
889 1HE LYS 116 HE2 LYS 116 15.123 -8.692 -8.692
890 2HE LYS 116 HE3 LYS 116 16.161 -8.963 -8.963
891 1HZ LYS 116 HZ3 LYS 116 17.140 -10.814 -10.814
892 2HZ LYS 116 HZ1 LYS 116 15.841 -10.661 -10.661
893 3HZ LYS 116 HZ2 LYS 116 15.638 -11.056 -11.056
894 H SER 117 HN SER 117 14.633 -4.479 -4.479
895 HA SER 117 HA SER 117 15.215 -5.114 -5.114
896 1HB SER 117 HB2 SER 117 13.496 -6.383 -6.383
897 2HB SER 117 HB3 SER 117 12.399 -5.247 -5.247
898 HG SER 117 HG SER 117 13.288 -6.069 -6.069
899 H LEU 118 HN LEU 118 14.287 -2.616 -2.616
900 HA LEU 118 HA LEU 118 12.787 -1.181 -1.181
901 1HB LEU 118 HB2 LEU 118 11.593 -0.508 -0.508
902 2HB LEU 118 HB3 LEU 118 12.638 -1.379 -1.379
903 HG LEU 118 HG LEU 118 14.090 0.922 0.922
904 1HD1 LEU 118 HD12 LEU 118 11.449 1.488 1.488
905 2HD1 LEU 118 HD13 LEU 118 11.678 2.297 2.297
906 3HD1 LEU 118 HD11 LEU 118 12.800 2.624 2.624
907 1HD2 LEU 118 HD22 LEU 118 12.475 -0.181 -0.181
908 2HD2 LEU 118 HD23 LEU 118 14.163 0.384 0.384
909 3HD2 LEU 118 HD21 LEU 118 12.833 1.560 1.560
910 H ASN 119 HN ASN 119 15.979 -1.611 -1.611
911 HA ASN 119 HA ASN 119 16.744 1.090 1.090
912 1HB ASN 119 HB2 ASN 119 18.757 0.607 0.607
913 2HB ASN 119 HB3 ASN 119 17.696 -0.537 -0.537
914 1HD2 ASN 119 HD22 ASN 119 18.937 -3.446 -3.446
915 2HD2 ASN 119 HD21 ASN 119 17.519 -2.708 -2.708
916 H HIS 120 HN HIS 120 16.699 -2.206 -2.206
917 HA HIS 120 HA HIS 120 18.596 -1.568 -1.568
918 1HB HIS 120 HB2 HIS 120 18.446 -3.857 -3.857
919 2HB HIS 120 HB3 HIS 120 18.529 -3.790 -3.790
920 HD1 HIS 120 HD1 HIS 120 17.465 -6.336 -6.336
921 HD2 HIS 120 HD2 HIS 120 14.949 -3.001 -3.001
922 HE1 HIS 120 HE1 HIS 120 15.075 -7.228 -7.228
923 H ARG 121 HN ARG 121 16.776 0.330 0.330
924 HA ARG 121 HA ARG 121 15.444 1.250 1.250
925 1HB ARG 121 HB2 ARG 121 16.261 -1.202 -1.202
926 2HB ARG 121 HB3 ARG 121 14.854 -0.351 -0.351
927 1HG ARG 121 HG2 ARG 121 17.216 0.363 0.363
928 2HG ARG 121 HG3 ARG 121 16.065 1.617 1.617
929 1HD ARG 121 HD2 ARG 121 17.192 2.198 2.198
930 2HD ARG 121 HD3 ARG 121 17.926 0.617 0.617
931 HE ARG 121 HE ARG 121 19.727 1.372 1.372
932 1HH1 ARG 121 HH22 ARG 121 16.920 3.358 3.358
933 2HH1 ARG 121 HH21 ARG 121 17.796 4.429 4.429
934 1HH2 ARG 121 HH12 ARG 121 20.884 2.785 2.785
935 2HH2 ARG 121 HH11 ARG 121 20.065 4.102 4.102
936 H TYR 122 HN TYR 122 14.153 -1.822 -1.822
937 HA TYR 122 HA TYR 122 12.165 -2.198 -2.198
938 1HB TYR 122 HB2 TYR 122 10.308 -1.143 -1.143
939 2HB TYR 122 HB3 TYR 122 11.592 0.034 0.034
940 HD1 TYR 122 HD1 TYR 122 12.968 -0.061 -0.061
941 HD2 TYR 122 HD2 TYR 122 9.180 -1.983 -1.983
942 HE1 TYR 122 HE1 TYR 122 12.660 -0.145 -0.145
943 HE2 TYR 122 HE2 TYR 122 8.885 -2.061 -2.061
944 HH TYR 122 HH TYR 122 9.771 -1.660 -1.660
945 H GLN 123 HN GLN 123 14.193 -3.447 -3.447
946 HA GLN 123 HA GLN 123 13.015 -5.851 -5.851
947 1HB GLN 123 HB2 GLN 123 11.338 -4.736 -4.736
948 2HB GLN 123 HB3 GLN 123 12.627 -4.272 -4.272
949 1HG GLN 123 HG2 GLN 123 12.921 -7.090 -7.090
950 2HG GLN 123 HG3 GLN 123 11.222 -6.802 -6.802
951 1HE2 GLN 123 HE22 GLN 123 13.649 -7.181 -7.181
952 2HE2 GLN 123 HE21 GLN 123 13.768 -7.860 -7.860
953 H MET 124 HN MET 124 15.512 -5.096 -5.096
954 HA MET 124 HA MET 124 17.262 -4.975 -4.975
955 1HB MET 124 HB2 MET 124 17.368 -4.941 -4.941
956 2HB MET 124 HB3 MET 124 18.697 -5.871 -5.871
957 1HG MET 124 HG2 MET 124 18.380 -3.449 -3.449
958 2HG MET 124 HG3 MET 124 18.436 -3.014 -3.014
959 1HE MET 124 HE1 MET 124 20.184 -1.710 -1.710
960 2HE MET 124 HE2 MET 124 21.511 -2.114 -2.114
961 3HE MET 124 HE3 MET 124 21.750 -2.263 -2.263
962 H GLY 125 HN GLY 125 15.778 -7.084 -7.084
963 1HA GLY 125 HA1 GLY 125 15.768 -9.278 -9.278
964 2HA GLY 125 HA2 GLY 125 17.516 -9.143 -9.143
965 H CYS 126 HN CYS 126 15.768 -8.398 -8.398
966 HA CYS 126 HA CYS 126 17.168 -10.309 -10.309
967 1HB CYS 126 HB2 CYS 126 16.156 -9.447 -9.447
968 2HB CYS 126 HB3 CYS 126 15.901 -8.126 -8.126
969 H GLU 127 HN GLU 127 15.337 -11.678 -11.678
970 HA GLU 127 HA GLU 127 13.242 -12.863 -12.863
971 1HB GLU 127 HB2 GLU 127 15.056 -13.792 -13.792
972 2HB GLU 127 HB3 GLU 127 15.777 -14.561 -14.561
973 1HG GLU 127 HG2 GLU 127 13.970 -16.079 -16.079
974 2HG GLU 127 HG3 GLU 127 12.860 -15.074 -15.074
Start of MODEL 29
1 H CYS 1 HN CYS 1 -7.082 -9.481 -9.481
2 HA CYS 1 HA CYS 1 -9.374 -8.869 -8.869
3 1HB CYS 1 HB2 CYS 1 -10.131 -10.914 -10.914
4 2HB CYS 1 HB3 CYS 1 -11.187 -10.252 -10.252
5 H SER 2 HN SER 2 -8.782 -9.780 -9.780
6 HA SER 2 HA SER 2 -8.123 -11.225 -11.225
7 1HB SER 2 HB2 SER 2 -8.998 -13.758 -13.758
8 2HB SER 2 HB3 SER 2 -9.811 -12.708 -12.708
9 HG SER 2 HG SER 2 -10.493 -13.297 -13.297
10 H CYS 3 HN CYS 3 -6.604 -10.918 -10.918
11 HA CYS 3 HA CYS 3 -5.319 -13.258 -13.258
12 1HB CYS 3 HB2 CYS 3 -4.738 -10.370 -10.370
13 2HB CYS 3 HB3 CYS 3 -3.367 -11.451 -11.451
14 H SER 4 HN SER 4 -2.593 -13.079 -13.079
15 HA SER 4 HA SER 4 -2.317 -12.866 -12.866
16 1HB SER 4 HB2 SER 4 -1.053 -14.917 -14.917
17 2HB SER 4 HB3 SER 4 -2.538 -15.265 -15.265
18 HG SER 4 HG SER 4 -0.966 -14.587 -14.587
19 HA PRO 5 HA PRO 5 0.987 -10.398 -10.398
20 1HB PRO 5 HB2 PRO 5 1.451 -8.956 -8.956
21 2HB PRO 5 HB3 PRO 5 0.268 -8.489 -8.489
22 1HG PRO 5 HG2 PRO 5 -0.177 -9.693 -9.693
23 2HG PRO 5 HG3 PRO 5 -1.315 -8.841 -8.841
24 1HD PRO 5 HD2 PRO 5 -1.149 -11.678 -11.678
25 2HD PRO 5 HD3 PRO 5 -2.209 -10.834 -10.834
26 H VAL 6 HN VAL 6 2.954 -11.162 -11.162
27 HA VAL 6 HA VAL 6 4.513 -11.934 -11.934
28 HB VAL 6 HB VAL 6 3.179 -13.943 -13.943
29 1HG1 VAL 6 HG13 VAL 6 4.149 -13.189 -13.189
30 2HG1 VAL 6 HG11 VAL 6 4.739 -14.820 -14.820
31 3HG1 VAL 6 HG12 VAL 6 2.994 -14.469 -14.469
32 1HG2 VAL 6 HG23 VAL 6 6.116 -13.754 -13.754
33 2HG2 VAL 6 HG21 VAL 6 4.935 -14.736 -14.736
34 3HG2 VAL 6 HG22 VAL 6 5.522 -15.285 -15.285
35 H HIS 7 HN HIS 7 6.085 -13.487 -13.487
36 HA HIS 7 HA HIS 7 8.072 -12.869 -12.869
37 1HB HIS 7 HB2 HIS 7 7.422 -11.352 -11.352
38 2HB HIS 7 HB3 HIS 7 7.158 -13.082 -13.082
39 HD1 HIS 7 HD1 HIS 7 4.884 -13.721 -13.721
40 HD2 HIS 7 HD2 HIS 7 4.899 -9.963 -9.963
41 HE1 HIS 7 HE1 HIS 7 2.482 -12.866 -12.866
42 HA PRO 8 HA PRO 8 8.795 -8.922 -8.922
43 1HB PRO 8 HB2 PRO 8 11.230 -9.546 -9.546
44 2HB PRO 8 HB3 PRO 8 9.718 -9.784 -9.784
45 1HG PRO 8 HG2 PRO 8 11.458 -11.799 -11.799
46 2HG PRO 8 HG3 PRO 8 10.200 -12.038 -12.038
47 1HD PRO 8 HD2 PRO 8 10.019 -12.579 -12.579
48 2HD PRO 8 HD3 PRO 8 8.727 -12.707 -12.707
49 H GLN 9 HN GLN 9 10.761 -10.784 -10.784
50 HA GLN 9 HA GLN 9 12.017 -8.287 -8.287
51 1HB GLN 9 HB2 GLN 9 13.561 -10.115 -10.115
52 2HB GLN 9 HB3 GLN 9 12.866 -11.169 -11.169
53 1HG GLN 9 HG2 GLN 9 14.356 -10.347 -10.347
54 2HG GLN 9 HG3 GLN 9 13.539 -8.800 -8.800
55 1HE2 GLN 9 HE22 GLN 9 15.746 -7.495 -7.495
56 2HE2 GLN 9 HE21 GLN 9 14.056 -7.683 -7.683
57 H GLN 10 HN GLN 10 10.017 -11.053 -11.053
58 HA GLN 10 HA GLN 10 10.156 -10.425 -10.425
59 1HB GLN 10 HB2 GLN 10 9.415 -12.564 -12.564
60 2HB GLN 10 HB3 GLN 10 8.893 -12.430 -12.430
61 1HG GLN 10 HG2 GLN 10 6.868 -12.822 -12.822
62 2HG GLN 10 HG3 GLN 10 6.860 -11.083 -11.083
63 1HE2 GLN 10 HE22 GLN 10 6.057 -12.173 -12.173
64 2HE2 GLN 10 HE21 GLN 10 5.542 -12.731 -12.731
65 H ALA 11 HN ALA 11 8.810 -8.759 -8.759
66 HA ALA 11 HA ALA 11 6.365 -7.974 -7.974
67 1HB ALA 11 HB1 ALA 11 7.622 -7.744 -7.744
68 2HB ALA 11 HB2 ALA 11 6.781 -6.263 -6.263
69 3HB ALA 11 HB3 ALA 11 5.900 -7.809 -7.809
70 H PHE 12 HN PHE 12 9.705 -6.805 -6.805
71 HA PHE 12 HA PHE 12 9.033 -4.265 -4.265
72 1HB PHE 12 HB2 PHE 12 11.578 -5.584 -5.584
73 2HB PHE 12 HB3 PHE 12 11.571 -3.958 -3.958
74 HD1 PHE 12 HD1 PHE 12 9.374 -5.844 -5.844
75 HD2 PHE 12 HD2 PHE 12 11.673 -2.355 -2.355
76 HE1 PHE 12 HE1 PHE 12 8.719 -4.940 -4.940
77 HE2 PHE 12 HE2 PHE 12 11.020 -1.451 -1.451
78 HZ PHE 12 HZ PHE 12 9.551 -2.755 -2.755
79 H CYS 13 HN CYS 13 9.726 -7.389 -7.389
80 HA CYS 13 HA CYS 13 11.271 -6.432 -6.432
81 1HB CYS 13 HB2 CYS 13 11.080 -8.981 -8.981
82 2HB CYS 13 HB3 CYS 13 11.069 -9.154 -9.154
83 H ASN 14 HN ASN 14 8.091 -7.048 -7.048
84 HA ASN 14 HA ASN 14 7.212 -7.821 -7.821
85 1HB ASN 14 HB2 ASN 14 6.399 -8.594 -8.594
86 2HB ASN 14 HB3 ASN 14 5.109 -7.545 -7.545
87 1HD2 ASN 14 HD22 ASN 14 5.994 -11.063 -11.063
88 2HD2 ASN 14 HD21 ASN 14 7.184 -10.221 -10.221
89 H ALA 15 HN ALA 15 6.846 -5.393 -5.393
90 HA ALA 15 HA ALA 15 4.820 -3.855 -3.855
91 1HB ALA 15 HB3 ALA 15 7.276 -3.099 -3.099
92 2HB ALA 15 HB1 ALA 15 5.882 -2.026 -2.026
93 3HB ALA 15 HB2 ALA 15 5.672 -3.555 -3.555
94 H ASP 16 HN ASP 16 5.199 -1.479 -1.479
95 HA ASP 16 HA ASP 16 7.453 -1.351 -1.351
96 1HB ASP 16 HB2 ASP 16 4.600 -1.708 -1.708
97 2HB ASP 16 HB3 ASP 16 5.501 -0.486 -0.486
98 H VAL 17 HN VAL 17 5.907 -0.028 -0.028
99 HA VAL 17 HA VAL 17 6.570 2.640 2.640
100 HB VAL 17 HB VAL 17 4.472 2.506 2.506
101 1HG1 VAL 17 HG11 VAL 17 3.483 0.670 0.670
102 2HG1 VAL 17 HG12 VAL 17 3.095 1.910 1.910
103 3HG1 VAL 17 HG13 VAL 17 2.365 1.995 1.995
104 1HG2 VAL 17 HG23 VAL 17 5.224 4.527 4.527
105 2HG2 VAL 17 HG21 VAL 17 3.653 4.539 4.539
106 3HG2 VAL 17 HG22 VAL 17 3.739 4.110 4.110
107 H VAL 18 HN VAL 18 7.868 2.444 2.444
108 HA VAL 18 HA VAL 18 6.418 1.924 1.924
109 HB VAL 18 HB VAL 18 9.363 2.253 2.253
110 1HG1 VAL 18 HG11 VAL 18 7.303 0.960 0.960
111 2HG1 VAL 18 HG12 VAL 18 8.644 -0.149 -0.149
112 3HG1 VAL 18 HG13 VAL 18 8.971 1.407 1.407
113 1HG2 VAL 18 HG22 VAL 18 8.873 1.017 1.017
114 2HG2 VAL 18 HG23 VAL 18 9.814 0.079 0.079
115 3HG2 VAL 18 HG21 VAL 18 8.076 -0.244 -0.244
116 H ILE 19 HN ILE 19 5.739 3.638 3.638
117 HA ILE 19 HA ILE 19 7.438 5.992 5.992
118 HB ILE 19 HB ILE 19 5.698 7.519 7.519
119 1HG1 ILE 19 HG12 ILE 19 3.951 5.112 5.112
120 2HG1 ILE 19 HG13 ILE 19 3.664 6.755 6.755
121 1HG2 ILE 19 HG23 ILE 19 7.075 6.384 6.384
122 2HG2 ILE 19 HG21 ILE 19 5.628 5.408 5.408
123 3HG2 ILE 19 HG22 ILE 19 5.568 7.180 7.180
124 1HD1 ILE 19 HD13 ILE 19 3.637 7.369 7.369
125 2HD1 ILE 19 HD11 ILE 19 3.426 5.620 5.620
126 3HD1 ILE 19 HD12 ILE 19 2.222 6.533 6.533
127 H ARG 20 HN ARG 20 7.683 6.603 6.603
128 HA ARG 20 HA ARG 20 6.146 5.270 5.270
129 1HB ARG 20 HB2 ARG 20 8.043 7.625 7.625
130 2HB ARG 20 HB3 ARG 20 7.593 6.410 6.410
131 1HG ARG 20 HG2 ARG 20 8.943 4.757 4.757
132 2HG ARG 20 HG3 ARG 20 8.848 5.459 5.459
133 1HD ARG 20 HD2 ARG 20 11.106 5.687 5.687
134 2HD ARG 20 HD3 ARG 20 10.481 7.120 7.120
135 HE ARG 20 HE ARG 20 9.379 7.349 7.349
136 1HH1 ARG 20 HH22 ARG 20 12.668 6.703 6.703
137 2HH1 ARG 20 HH21 ARG 20 13.401 7.441 7.441
138 1HH2 ARG 20 HH12 ARG 20 10.346 8.325 8.325
139 2HH2 ARG 20 HH11 ARG 20 12.071 8.371 8.371
140 H THR 21 HN THR 21 4.419 6.796 6.796
141 HA THR 21 HA THR 21 3.869 9.364 9.364
142 HB THR 21 HB THR 21 3.127 8.611 8.611
143 HG1 THR 21 HG1 THR 21 1.280 9.767 9.767
144 1HG2 THR 21 HG23 THR 21 2.693 6.151 6.151
145 2HG2 THR 21 HG21 THR 21 1.102 6.786 6.786
146 3HG2 THR 21 HG22 THR 21 1.592 6.826 6.826
147 H LYS 22 HN LYS 22 1.578 9.879 9.879
148 HA LYS 22 HA LYS 22 1.084 7.981 7.981
149 1HB LYS 22 HB2 LYS 22 0.858 9.809 9.809
150 2HB LYS 22 HB3 LYS 22 2.441 9.874 9.874
151 1HG LYS 22 HG2 LYS 22 1.746 11.667 11.667
152 2HG LYS 22 HG3 LYS 22 0.067 11.490 11.490
153 1HD LYS 22 HD2 LYS 22 2.370 12.621 12.621
154 2HD LYS 22 HD3 LYS 22 0.833 13.374 13.374
155 1HE LYS 22 HE2 LYS 22 -0.267 11.479 11.479
156 2HE LYS 22 HE3 LYS 22 1.349 11.094 11.094
157 1HZ LYS 22 HZ3 LYS 22 0.690 13.872 13.872
158 2HZ LYS 22 HZ1 LYS 22 -0.235 12.922 12.922
159 3HZ LYS 22 HZ2 LYS 22 1.390 12.905 12.905
160 H ALA 23 HN ALA 23 -0.964 7.240 7.240
161 HA ALA 23 HA ALA 23 -2.889 8.692 8.692
162 1HB ALA 23 HB2 ALA 23 -2.934 5.944 5.944
163 2HB ALA 23 HB3 ALA 23 -4.221 6.601 6.601
164 3HB ALA 23 HB1 ALA 23 -2.603 6.295 6.295
165 H VAL 24 HN VAL 24 -3.912 10.337 10.337
166 HA VAL 24 HA VAL 24 -4.706 9.823 9.823
167 HB VAL 24 HB VAL 24 -4.933 12.391 12.391
168 1HG1 VAL 24 HG13 VAL 24 -2.430 10.751 10.751
169 2HG1 VAL 24 HG11 VAL 24 -2.289 12.524 12.524
170 3HG1 VAL 24 HG12 VAL 24 -3.272 11.652 11.652
171 1HG2 VAL 24 HG23 VAL 24 -4.710 12.602 12.602
172 2HG2 VAL 24 HG21 VAL 24 -3.541 13.594 13.594
173 3HG2 VAL 24 HG22 VAL 24 -3.017 12.074 12.074
174 H SER 25 HN SER 25 -5.723 10.881 10.881
175 HA SER 25 HA SER 25 -8.465 10.790 10.790
176 1HB SER 25 HB2 SER 25 -8.315 12.946 12.946
177 2HB SER 25 HB3 SER 25 -7.075 12.530 12.530
178 HG SER 25 HG SER 25 -9.611 12.904 12.904
179 H GLU 26 HN GLU 26 -10.091 10.057 10.057
180 HA GLU 26 HA GLU 26 -8.894 8.312 8.312
181 1HB GLU 26 HB2 GLU 26 -10.545 7.330 7.330
182 2HB GLU 26 HB3 GLU 26 -10.563 6.453 6.453
183 1HG GLU 26 HG2 GLU 26 -8.667 5.415 5.415
184 2HG GLU 26 HG3 GLU 26 -7.830 6.931 6.931
185 H LYS 27 HN LYS 27 -11.096 6.991 6.991
186 HA LYS 27 HA LYS 27 -13.317 8.820 8.820
187 1HB LYS 27 HB2 LYS 27 -11.743 9.798 9.798
188 2HB LYS 27 HB3 LYS 27 -11.631 8.264 8.264
189 1HG LYS 27 HG2 LYS 27 -13.777 8.425 8.425
190 2HG LYS 27 HG3 LYS 27 -14.396 9.352 9.352
191 1HD LYS 27 HD2 LYS 27 -14.076 10.600 10.600
192 2HD LYS 27 HD3 LYS 27 -13.491 11.393 11.393
193 1HE LYS 27 HE2 LYS 27 -11.199 10.781 10.781
194 2HE LYS 27 HE3 LYS 27 -11.675 9.626 9.626
195 1HZ LYS 27 HZ2 LYS 27 -12.471 12.394 12.394
196 2HZ LYS 27 HZ3 LYS 27 -10.911 12.002 12.002
197 3HZ LYS 27 HZ1 LYS 27 -12.100 11.271 11.271
198 H GLU 28 HN GLU 28 -14.984 7.463 7.463
199 HA GLU 28 HA GLU 28 -14.706 4.711 4.711
200 1HB GLU 28 HB2 GLU 28 -15.966 5.381 5.381
201 2HB GLU 28 HB3 GLU 28 -17.028 6.401 6.401
202 1HG GLU 28 HG2 GLU 28 -17.218 3.854 3.854
203 2HG GLU 28 HG3 GLU 28 -17.189 3.512 3.512
204 H VAL 29 HN VAL 29 -14.417 4.511 4.511
205 HA VAL 29 HA VAL 29 -16.564 5.564 5.564
206 HB VAL 29 HB VAL 29 -15.042 4.797 4.797
207 1HG1 VAL 29 HG11 VAL 29 -14.956 7.082 7.082
208 2HG1 VAL 29 HG12 VAL 29 -13.252 6.587 6.587
209 3HG1 VAL 29 HG13 VAL 29 -14.226 6.880 6.880
210 1HG2 VAL 29 HG23 VAL 29 -13.845 3.192 3.192
211 2HG2 VAL 29 HG21 VAL 29 -12.974 3.875 3.875
212 3HG2 VAL 29 HG22 VAL 29 -12.796 4.615 4.615
213 H ASP 30 HN ASP 30 -18.197 4.085 4.085
214 HA ASP 30 HA ASP 30 -18.063 1.447 1.447
215 1HB ASP 30 HB2 ASP 30 -20.382 2.771 2.771
216 2HB ASP 30 HB3 ASP 30 -20.453 1.378 1.378
217 H SER 31 HN SER 31 -18.182 -0.401 -0.401
218 HA SER 31 HA SER 31 -18.129 0.255 0.255
219 1HB SER 31 HB2 SER 31 -15.900 -0.328 -0.328
220 2HB SER 31 HB3 SER 31 -16.215 -1.361 -1.361
221 HG SER 31 HG SER 31 -17.226 -2.145 -2.145
222 H GLY 32 HN GLY 32 -20.395 -0.526 -0.526
223 1HA GLY 32 HA1 GLY 32 -22.136 -1.946 -1.946
224 2HA GLY 32 HA2 GLY 32 -21.604 -2.463 -2.463
225 H ASN 33 HN ASN 33 -22.561 -4.579 -4.579
226 HA ASN 33 HA ASN 33 -20.924 -5.857 -5.857
227 1HB ASN 33 HB2 ASN 33 -22.985 -7.258 -7.258
228 2HB ASN 33 HB3 ASN 33 -22.530 -7.640 -7.640
229 1HD2 ASN 33 HD22 ASN 33 -25.410 -4.876 -4.876
230 2HD2 ASN 33 HD21 ASN 33 -24.463 -5.697 -5.697
231 H ASP 34 HN ASP 34 -20.022 -8.154 -8.154
232 HA ASP 34 HA ASP 34 -18.658 -7.929 -7.929
233 1HB ASP 34 HB2 ASP 34 -17.698 -8.573 -8.573
234 2HB ASP 34 HB3 ASP 34 -18.216 -10.184 -10.184
235 H ILE 35 HN ILE 35 -18.107 -10.802 -10.802
236 HA ILE 35 HA ILE 35 -20.591 -11.585 -11.585
237 HB ILE 35 HB ILE 35 -17.888 -12.928 -12.928
238 1HG1 ILE 35 HG12 ILE 35 -17.805 -12.122 -12.122
239 2HG1 ILE 35 HG13 ILE 35 -19.166 -11.086 -11.086
240 1HG2 ILE 35 HG23 ILE 35 -20.480 -13.682 -13.682
241 2HG2 ILE 35 HG21 ILE 35 -18.965 -14.014 -14.014
242 3HG2 ILE 35 HG22 ILE 35 -19.229 -14.702 -14.702
243 1HD1 ILE 35 HD13 ILE 35 -16.743 -11.040 -11.040
244 2HD1 ILE 35 HD11 ILE 35 -16.698 -10.167 -10.167
245 3HD1 ILE 35 HD12 ILE 35 -17.924 -9.750 -9.750
246 H TYR 36 HN TYR 36 -19.587 -11.583 -11.583
247 HA TYR 36 HA TYR 36 -20.711 -14.242 -14.242
248 1HB TYR 36 HB2 TYR 36 -18.338 -13.111 -13.111
249 2HB TYR 36 HB3 TYR 36 -19.353 -12.386 -12.386
250 HD1 TYR 36 HD1 TYR 36 -18.001 -15.566 -15.566
251 HD2 TYR 36 HD2 TYR 36 -20.264 -13.705 -13.705
252 HE1 TYR 36 HE1 TYR 36 -17.812 -17.677 -17.677
253 HE2 TYR 36 HE2 TYR 36 -20.067 -15.820 -15.820
254 HH TYR 36 HH TYR 36 -18.459 -17.734 -17.734
255 H GLY 37 HN GLY 37 -21.645 -11.041 -11.041
256 1HA GLY 37 HA1 GLY 37 -23.716 -10.212 -10.212
257 2HA GLY 37 HA2 GLY 37 -23.939 -11.491 -11.491
258 H ASN 38 HN ASN 38 -20.877 -10.596 -10.596
259 HA ASN 38 HA ASN 38 -21.750 -9.050 -9.050
260 1HB ASN 38 HB2 ASN 38 -19.187 -8.967 -8.967
261 2HB ASN 38 HB3 ASN 38 -19.936 -10.551 -10.551
262 1HD2 ASN 38 HD22 ASN 38 -16.840 -10.794 -10.794
263 2HD2 ASN 38 HD21 ASN 38 -17.302 -10.426 -10.426
264 HA PRO 39 HA PRO 39 -20.786 -5.138 -5.138
265 1HB PRO 39 HB2 PRO 39 -20.222 -3.645 -3.645
266 2HB PRO 39 HB3 PRO 39 -21.856 -4.015 -4.015
267 1HG PRO 39 HG2 PRO 39 -20.314 -5.171 -5.171
268 2HG PRO 39 HG3 PRO 39 -22.045 -5.203 -5.203
269 1HD PRO 39 HD2 PRO 39 -20.201 -7.358 -7.358
270 2HD PRO 39 HD3 PRO 39 -21.911 -7.352 -7.352
271 H ILE 40 HN ILE 40 -19.180 -4.287 -4.287
272 HA ILE 40 HA ILE 40 -16.565 -5.236 -5.236
273 HB ILE 40 HB ILE 40 -17.640 -3.379 -3.379
274 1HG1 ILE 40 HG12 ILE 40 -16.843 -6.301 -6.301
275 2HG1 ILE 40 HG13 ILE 40 -18.443 -5.634 -5.634
276 1HG2 ILE 40 HG21 ILE 40 -15.325 -2.787 -2.787
277 2HG2 ILE 40 HG22 ILE 40 -14.838 -4.493 -4.493
278 3HG2 ILE 40 HG23 ILE 40 -15.460 -3.623 -3.623
279 1HD1 ILE 40 HD13 ILE 40 -17.458 -4.364 -4.364
280 2HD1 ILE 40 HD11 ILE 40 -16.018 -5.392 -5.392
281 3HD1 ILE 40 HD12 ILE 40 -17.596 -6.130 -6.130
282 H LYS 41 HN LYS 41 -17.065 -1.855 -1.855
283 HA LYS 41 HA LYS 41 -16.545 0.071 0.071
284 1HB LYS 41 HB2 LYS 41 -17.970 -0.807 -0.807
285 2HB LYS 41 HB3 LYS 41 -16.500 -1.345 -1.345
286 1HG LYS 41 HG2 LYS 41 -15.615 1.008 1.008
287 2HG LYS 41 HG3 LYS 41 -17.113 1.533 1.533
288 1HD LYS 41 HD2 LYS 41 -17.359 -0.025 -0.025
289 2HD LYS 41 HD3 LYS 41 -16.696 1.591 1.591
290 1HE LYS 41 HE2 LYS 41 -18.724 2.386 2.386
291 2HE LYS 41 HE3 LYS 41 -19.406 0.792 0.792
292 1HZ LYS 41 HZ1 LYS 41 -18.722 1.448 1.448
293 2HZ LYS 41 HZ2 LYS 41 -19.044 2.936 2.936
294 3HZ LYS 41 HZ3 LYS 41 -20.190 1.774 1.774
295 H ARG 42 HN ARG 42 -14.603 1.009 1.009
296 HA ARG 42 HA ARG 42 -12.308 -0.418 -0.418
297 1HB ARG 42 HB2 ARG 42 -11.296 0.918 0.918
298 2HB ARG 42 HB3 ARG 42 -11.688 -0.789 -0.789
299 1HG ARG 42 HG2 ARG 42 -14.081 -0.165 -0.165
300 2HG ARG 42 HG3 ARG 42 -13.511 1.472 1.472
301 1HD ARG 42 HD2 ARG 42 -11.704 0.422 0.422
302 2HD ARG 42 HD3 ARG 42 -12.653 -1.049 -1.049
303 HE ARG 42 HE ARG 42 -14.505 0.948 0.948
304 1HH1 ARG 42 HH22 ARG 42 -11.528 -0.276 -0.276
305 2HH1 ARG 42 HH21 ARG 42 -11.992 0.117 0.117
306 1HH2 ARG 42 HH12 ARG 42 -15.117 1.466 1.466
307 2HH2 ARG 42 HH11 ARG 42 -14.047 1.114 1.114
308 H ILE 43 HN ILE 43 -12.680 1.178 1.178
309 HA ILE 43 HA ILE 43 -12.760 3.873 3.873
310 HB ILE 43 HB ILE 43 -12.091 1.909 1.909
311 1HG1 ILE 43 HG12 ILE 43 -12.951 3.892 3.892
312 2HG1 ILE 43 HG13 ILE 43 -13.308 4.662 4.662
313 1HG2 ILE 43 HG22 ILE 43 -10.471 4.468 4.468
314 2HG2 ILE 43 HG23 ILE 43 -10.668 3.298 3.298
315 3HG2 ILE 43 HG21 ILE 43 -9.838 2.813 2.813
316 1HD1 ILE 43 HD12 ILE 43 -14.248 1.981 1.981
317 2HD1 ILE 43 HD13 ILE 43 -14.774 2.561 2.561
318 3HD1 ILE 43 HD11 ILE 43 -15.223 3.464 3.464
319 H GLN 44 HN GLN 44 -11.300 5.594 5.594
320 HA GLN 44 HA GLN 44 -8.964 4.850 4.850
321 1HB GLN 44 HB2 GLN 44 -10.241 7.537 7.537
322 2HB GLN 44 HB3 GLN 44 -8.763 7.386 7.386
323 1HG GLN 44 HG2 GLN 44 -11.550 6.432 6.432
324 2HG GLN 44 HG3 GLN 44 -10.490 7.489 7.489
325 1HE2 GLN 44 HE22 GLN 44 -10.098 3.381 3.381
326 2HE2 GLN 44 HE21 GLN 44 -11.028 4.198 4.198
327 H TYR 45 HN TYR 45 -7.022 6.662 6.662
328 HA TYR 45 HA TYR 45 -6.598 6.609 6.609
329 1HB TYR 45 HB2 TYR 45 -5.117 5.328 5.328
330 2HB TYR 45 HB3 TYR 45 -4.098 6.111 6.111
331 HD1 TYR 45 HD2 TYR 45 -5.970 5.471 5.471
332 HD2 TYR 45 HD1 TYR 45 -4.360 3.088 3.088
333 HE1 TYR 45 HE2 TYR 45 -6.113 3.403 3.403
334 HE2 TYR 45 HE1 TYR 45 -4.507 1.028 1.028
335 HH TYR 45 HH TYR 45 -4.604 1.000 1.000
336 H GLU 46 HN GLU 46 -7.363 8.935 8.935
337 HA GLU 46 HA GLU 46 -5.698 10.543 10.543
338 1HB GLU 46 HB2 GLU 46 -8.129 10.894 10.894
339 2HB GLU 46 HB3 GLU 46 -7.227 11.672 11.672
340 1HG GLU 46 HG2 GLU 46 -6.197 13.239 13.239
341 2HG GLU 46 HG3 GLU 46 -6.896 12.388 12.388
342 H ILE 47 HN ILE 47 -3.590 9.560 9.560
343 HA ILE 47 HA ILE 47 -2.780 10.209 10.209
344 HB ILE 47 HB ILE 47 -0.558 9.548 9.548
345 1HG1 ILE 47 HG12 ILE 47 -1.872 9.717 9.717
346 2HG1 ILE 47 HG13 ILE 47 -0.338 10.380 10.380
347 1HG2 ILE 47 HG23 ILE 47 -2.909 7.968 7.968
348 2HG2 ILE 47 HG21 ILE 47 -1.919 7.352 7.352
349 3HG2 ILE 47 HG22 ILE 47 -1.225 7.473 7.473
350 1HD1 ILE 47 HD11 ILE 47 -0.148 7.568 7.568
351 2HD1 ILE 47 HD12 ILE 47 -0.884 7.787 7.787
352 3HD1 ILE 47 HD13 ILE 47 0.689 8.536 8.536
353 H LYS 48 HN LYS 48 -0.369 11.465 11.465
354 HA LYS 48 HA LYS 48 -1.017 14.071 14.071
355 1HB LYS 48 HB2 LYS 48 -1.156 13.692 13.692
356 2HB LYS 48 HB3 LYS 48 0.587 13.840 13.840
357 1HG LYS 48 HG2 LYS 48 -0.393 15.937 15.937
358 2HG LYS 48 HG3 LYS 48 -1.460 15.923 15.923
359 1HD LYS 48 HD2 LYS 48 1.540 16.343 16.343
360 2HD LYS 48 HD3 LYS 48 0.315 17.347 17.347
361 1HE LYS 48 HE2 LYS 48 -0.066 15.003 15.003
362 2HE LYS 48 HE3 LYS 48 1.648 14.886 14.886
363 1HZ LYS 48 HZ1 LYS 48 1.798 17.206 17.206
364 2HZ LYS 48 HZ2 LYS 48 0.264 17.051 17.051
365 3HZ LYS 48 HZ3 LYS 48 1.435 16.069 16.069
366 H GLN 49 HN GLN 49 0.917 11.368 11.368
367 HA GLN 49 HA GLN 49 2.894 10.928 10.928
368 1HB GLN 49 HB2 GLN 49 2.225 13.479 13.479
369 2HB GLN 49 HB3 GLN 49 3.727 12.633 12.633
370 1HG GLN 49 HG2 GLN 49 1.073 11.149 11.149
371 2HG GLN 49 HG3 GLN 49 1.620 12.031 12.031
372 1HE2 GLN 49 HE22 GLN 49 4.682 10.004 10.004
373 2HE2 GLN 49 HE21 GLN 49 4.244 11.671 11.671
374 H ILE 50 HN ILE 50 4.582 10.893 10.893
375 HA ILE 50 HA ILE 50 5.699 13.500 13.500
376 HB ILE 50 HB ILE 50 5.697 12.913 12.913
377 1HG1 ILE 50 HG12 ILE 50 6.860 10.327 10.327
378 2HG1 ILE 50 HG13 ILE 50 7.585 11.558 11.558
379 1HG2 ILE 50 HG22 ILE 50 3.450 12.030 12.030
380 2HG2 ILE 50 HG23 ILE 50 4.127 10.423 10.423
381 3HG2 ILE 50 HG21 ILE 50 3.918 11.610 11.610
382 1HD1 ILE 50 HD11 ILE 50 5.939 10.954 10.954
383 2HD1 ILE 50 HD12 ILE 50 5.369 9.618 9.618
384 3HD1 ILE 50 HD13 ILE 50 7.047 9.631 9.631
385 H LYS 51 HN LYS 51 6.262 10.154 10.154
386 HA LYS 51 HA LYS 51 8.868 11.022 11.022
387 1HB LYS 51 HB2 LYS 51 8.693 9.622 9.622
388 2HB LYS 51 HB3 LYS 51 9.011 8.360 8.360
389 1HG LYS 51 HG2 LYS 51 11.061 9.333 9.333
390 2HG LYS 51 HG3 LYS 51 10.625 10.922 10.922
391 1HD LYS 51 HD2 LYS 51 10.532 9.349 9.349
392 2HD LYS 51 HD3 LYS 51 11.879 8.657 8.657
393 1HE LYS 51 HE2 LYS 51 12.793 11.032 11.032
394 2HE LYS 51 HE3 LYS 51 11.531 11.587 11.587
395 1HZ LYS 51 HZ2 LYS 51 12.469 9.740 9.740
396 2HZ LYS 51 HZ3 LYS 51 13.814 9.889 9.889
397 3HZ LYS 51 HZ1 LYS 51 13.240 11.176 11.176
398 H MET 52 HN MET 52 9.768 9.429 9.429
399 HA MET 52 HA MET 52 7.704 7.704 7.704
400 1HB MET 52 HB2 MET 52 8.059 8.633 8.633
401 2HB MET 52 HB3 MET 52 7.566 9.918 9.918
402 1HG MET 52 HG2 MET 52 10.362 9.910 9.910
403 2HG MET 52 HG3 MET 52 10.123 9.561 9.561
404 1HE MET 52 HE1 MET 52 11.249 11.751 11.751
405 2HE MET 52 HE2 MET 52 11.347 12.855 12.855
406 3HE MET 52 HE3 MET 52 10.394 13.311 13.311
407 H PHE 53 HN PHE 53 9.377 6.264 6.264
408 HA PHE 53 HA PHE 53 11.933 5.900 5.900
409 1HB PHE 53 HB2 PHE 53 9.525 4.160 4.160
410 2HB PHE 53 HB3 PHE 53 10.887 3.304 3.304
411 HD1 PHE 53 HD2 PHE 53 13.175 4.540 4.540
412 HD2 PHE 53 HD1 PHE 53 9.376 3.440 3.440
413 HE1 PHE 53 HE2 PHE 53 14.177 4.275 4.275
414 HE2 PHE 53 HE1 PHE 53 10.378 3.175 3.175
415 HZ PHE 53 HZ PHE 53 12.767 3.596 3.596
416 H LYS 54 HN LYS 54 9.732 3.782 3.782
417 HA LYS 54 HA LYS 54 11.311 4.494 4.494
418 1HB LYS 54 HB2 LYS 54 12.182 2.393 2.393
419 2HB LYS 54 HB3 LYS 54 10.572 1.722 1.722
420 1HG LYS 54 HG2 LYS 54 11.544 0.892 0.892
421 2HG LYS 54 HG3 LYS 54 10.217 1.966 1.966
422 1HD LYS 54 HD2 LYS 54 12.842 3.342 3.342
423 2HD LYS 54 HD3 LYS 54 12.781 2.161 2.161
424 1HE LYS 54 HE2 LYS 54 10.387 3.392 3.392
425 2HE LYS 54 HE3 LYS 54 11.247 4.725 4.725
426 1HZ LYS 54 HZ3 LYS 54 13.008 4.397 4.397
427 2HZ LYS 54 HZ1 LYS 54 12.174 3.186 3.186
428 3HZ LYS 54 HZ2 LYS 54 11.583 4.709 4.709
429 H GLY 55 HN GLY 55 9.423 6.030 6.030
430 1HA GLY 55 HA1 GLY 55 7.084 4.607 4.607
431 2HA GLY 55 HA2 GLY 55 6.983 6.114 6.114
432 HA PRO 56 HA PRO 56 7.360 7.242 7.242
433 1HB PRO 56 HB2 PRO 56 5.183 8.889 8.889
434 2HB PRO 56 HB3 PRO 56 5.130 7.193 7.193
435 1HG PRO 56 HG2 PRO 56 4.088 8.513 8.513
436 2HG PRO 56 HG3 PRO 56 3.685 6.938 6.938
437 1HD PRO 56 HD2 PRO 56 5.393 7.483 7.483
438 2HD PRO 56 HD3 PRO 56 5.081 5.918 5.918
439 H GLU 57 HN GLU 57 7.039 9.700 9.700
440 HA GLU 57 HA GLU 57 8.879 11.110 11.110
441 1HB GLU 57 HB2 GLU 57 8.079 12.168 12.168
442 2HB GLU 57 HB3 GLU 57 9.641 12.215 12.215
443 1HG GLU 57 HG2 GLU 57 9.739 9.658 9.658
444 2HG GLU 57 HG3 GLU 57 8.322 9.802 9.802
445 H LYS 58 HN LYS 58 5.588 11.272 11.272
446 HA LYS 58 HA LYS 58 5.160 13.985 13.985
447 1HB LYS 58 HB2 LYS 58 3.979 12.427 12.427
448 2HB LYS 58 HB3 LYS 58 2.926 12.035 12.035
449 1HG LYS 58 HG2 LYS 58 1.786 13.940 13.940
450 2HG LYS 58 HG3 LYS 58 3.152 14.824 14.824
451 1HD LYS 58 HD2 LYS 58 3.204 13.886 13.886
452 2HD LYS 58 HD3 LYS 58 2.313 15.333 15.333
453 1HE LYS 58 HE2 LYS 58 4.852 15.534 15.534
454 2HE LYS 58 HE3 LYS 58 5.183 14.997 14.997
455 1HZ LYS 58 HZ2 LYS 58 3.557 16.839 16.839
456 2HZ LYS 58 HZ3 LYS 58 3.829 17.430 17.430
457 3HZ LYS 58 HZ1 LYS 58 5.068 17.263 17.263
458 H ASP 59 HN ASP 59 3.290 11.120 11.120
459 HA ASP 59 HA ASP 59 3.923 10.816 10.816
460 1HB ASP 59 HB2 ASP 59 4.053 13.183 13.183
461 2HB ASP 59 HB3 ASP 59 2.472 13.490 13.490
462 H ILE 60 HN ILE 60 1.955 10.203 10.203
463 HA ILE 60 HA ILE 60 -0.298 9.507 9.507
464 HB ILE 60 HB ILE 60 0.221 8.175 8.175
465 1HG1 ILE 60 HG12 ILE 60 2.413 8.343 8.343
466 2HG1 ILE 60 HG13 ILE 60 1.887 6.744 6.744
467 1HG2 ILE 60 HG22 ILE 60 -1.797 7.817 7.817
468 2HG2 ILE 60 HG23 ILE 60 -0.648 6.906 6.906
469 3HG2 ILE 60 HG21 ILE 60 -0.961 6.393 6.393
470 1HD1 ILE 60 HD12 ILE 60 1.199 7.886 7.886
471 2HD1 ILE 60 HD13 ILE 60 2.711 7.000 7.000
472 3HD1 ILE 60 HD11 ILE 60 1.143 6.187 6.187
473 H GLU 61 HN GLU 61 0.055 9.783 9.783
474 HA GLU 61 HA GLU 61 -0.977 11.023 11.023
475 1HB GLU 61 HB2 GLU 61 -1.125 12.713 12.713
476 2HB GLU 61 HB3 GLU 61 -2.555 12.930 12.930
477 1HG GLU 61 HG2 GLU 61 -1.391 13.962 13.962
478 2HG GLU 61 HG3 GLU 61 -0.070 12.812 12.812
479 H PHE 62 HN PHE 62 -2.456 9.229 9.229
480 HA PHE 62 HA PHE 62 -4.863 8.995 8.995
481 1HB PHE 62 HB2 PHE 62 -4.559 10.198 10.198
482 2HB PHE 62 HB3 PHE 62 -5.649 8.827 8.827
483 HD1 PHE 62 HD1 PHE 62 -7.439 8.830 8.830
484 HD2 PHE 62 HD2 PHE 62 -5.488 12.265 12.265
485 HE1 PHE 62 HE1 PHE 62 -9.300 10.276 10.276
486 HE2 PHE 62 HE2 PHE 62 -7.349 13.711 13.711
487 HZ PHE 62 HZ PHE 62 -9.233 12.700 12.700
488 H ILE 63 HN ILE 63 -4.248 6.905 6.905
489 HA ILE 63 HA ILE 63 -3.698 4.999 4.999
490 HB ILE 63 HB ILE 63 -3.491 4.343 4.343
491 1HG1 ILE 63 HG12 ILE 63 -2.336 6.659 6.659
492 2HG1 ILE 63 HG13 ILE 63 -1.732 5.655 5.655
493 1HG2 ILE 63 HG21 ILE 63 -2.256 3.429 3.429
494 2HG2 ILE 63 HG22 ILE 63 -1.398 3.173 3.173
495 3HG2 ILE 63 HG23 ILE 63 -3.021 2.483 2.483
496 1HD1 ILE 63 HD12 ILE 63 -0.904 5.189 5.189
497 2HD1 ILE 63 HD13 ILE 63 -0.035 6.317 6.317
498 3HD1 ILE 63 HD11 ILE 63 -0.116 4.586 4.586
499 H TYR 64 HN TYR 64 -4.667 2.695 2.695
500 HA TYR 64 HA TYR 64 -7.460 3.099 3.099
501 1HB TYR 64 HB2 TYR 64 -7.687 2.706 2.706
502 2HB TYR 64 HB3 TYR 64 -6.089 1.995 1.995
503 HD1 TYR 64 HD2 TYR 64 -5.882 -0.393 -0.393
504 HD2 TYR 64 HD1 TYR 64 -9.508 1.319 1.319
505 HE1 TYR 64 HE2 TYR 64 -6.928 -2.706 -2.706
506 HE2 TYR 64 HE1 TYR 64 -10.544 -1.000 -1.000
507 HH TYR 64 HH TYR 64 -9.350 -3.490 -3.490
508 H THR 65 HN THR 65 -8.536 1.174 1.174
509 HA THR 65 HA THR 65 -7.131 -1.215 -1.215
510 HB THR 65 HB THR 65 -5.786 0.251 0.251
511 HG1 THR 65 HG1 THR 65 -6.527 -1.007 -1.007
512 1HG2 THR 65 HG21 THR 65 -8.548 1.035 1.035
513 2HG2 THR 65 HG22 THR 65 -7.270 0.867 0.867
514 3HG2 THR 65 HG23 THR 65 -7.073 2.027 2.027
515 H ALA 66 HN ALA 66 -8.392 -1.909 -1.909
516 HA ALA 66 HA ALA 66 -11.176 -1.890 -1.890
517 1HB ALA 66 HB1 ALA 66 -9.352 -3.975 -3.975
518 2HB ALA 66 HB2 ALA 66 -10.772 -3.927 -3.927
519 3HB ALA 66 HB3 ALA 66 -10.989 -4.123 -4.123
520 HA PRO 67 HA PRO 67 -12.249 0.159 0.159
521 1HB PRO 67 HB2 PRO 67 -14.877 -0.543 -0.543
522 2HB PRO 67 HB3 PRO 67 -14.326 0.708 0.708
523 1HG PRO 67 HG2 PRO 67 -15.221 -2.038 -2.038
524 2HG PRO 67 HG3 PRO 67 -15.079 -0.661 -0.661
525 1HD PRO 67 HD2 PRO 67 -13.278 -2.886 -2.886
526 2HD PRO 67 HD3 PRO 67 -13.076 -1.453 -1.453
527 H SER 68 HN SER 68 -14.077 -0.485 -0.485
528 HA SER 68 HA SER 68 -14.125 -1.520 -1.520
529 1HB SER 68 HB2 SER 68 -13.664 -3.753 -3.753
530 2HB SER 68 HB3 SER 68 -13.371 -4.139 -4.139
531 HG SER 68 HG SER 68 -15.591 -3.044 -3.044
532 H SER 69 HN SER 69 -12.583 -3.417 -3.417
533 HA SER 69 HA SER 69 -10.269 -1.926 -1.926
534 1HB SER 69 HB2 SER 69 -9.747 -3.708 -3.708
535 2HB SER 69 HB3 SER 69 -11.426 -3.221 -3.221
536 HG SER 69 HG SER 69 -10.335 -5.614 -5.614
537 H ALA 70 HN ALA 70 -9.861 -2.222 -2.222
538 HA ALA 70 HA ALA 70 -8.559 -3.018 -3.018
539 1HB ALA 70 HB3 ALA 70 -7.023 -2.785 -2.785
540 2HB ALA 70 HB1 ALA 70 -6.608 -4.399 -4.399
541 3HB ALA 70 HB2 ALA 70 -6.404 -2.964 -2.964
542 H VAL 71 HN VAL 71 -9.627 -4.557 -4.557
543 HA VAL 71 HA VAL 71 -9.594 -7.280 -7.280
544 HB VAL 71 HB VAL 71 -11.698 -7.572 -7.572
545 1HG1 VAL 71 HG13 VAL 71 -11.534 -5.229 -5.229
546 2HG1 VAL 71 HG11 VAL 71 -11.959 -4.609 -4.609
547 3HG1 VAL 71 HG12 VAL 71 -13.059 -5.726 -5.726
548 1HG2 VAL 71 HG23 VAL 71 -11.021 -5.912 -5.912
549 2HG2 VAL 71 HG21 VAL 71 -11.244 -7.675 -7.675
550 3HG2 VAL 71 HG22 VAL 71 -12.637 -6.588 -6.588
551 H CYS 72 HN CYS 72 -9.184 -5.225 -5.225
552 HA CYS 72 HA CYS 72 -7.685 -7.464 -7.464
553 1HB CYS 72 HB2 CYS 72 -8.978 -5.246 -5.246
554 2HB CYS 72 HB3 CYS 72 -8.299 -6.747 -6.747
555 H GLY 73 HN GLY 73 -7.150 -4.928 -4.928
556 1HA GLY 73 HA1 GLY 73 -4.656 -4.217 -4.217
557 2HA GLY 73 HA2 GLY 73 -5.786 -2.911 -2.911
558 H VAL 74 HN VAL 74 -4.195 -1.945 -1.945
559 HA VAL 74 HA VAL 74 -3.991 -3.395 -3.395
560 HB VAL 74 HB VAL 74 -2.204 -1.281 -1.281
561 1HG1 VAL 74 HG11 VAL 74 -2.096 -2.700 -2.700
562 2HG1 VAL 74 HG12 VAL 74 -0.705 -1.854 -1.854
563 3HG1 VAL 74 HG13 VAL 74 -2.182 -0.949 -0.949
564 1HG2 VAL 74 HG22 VAL 74 -2.218 -3.773 -3.773
565 2HG2 VAL 74 HG23 VAL 74 -0.679 -2.935 -2.935
566 3HG2 VAL 74 HG21 VAL 74 -1.330 -4.075 -4.075
567 H SER 75 HN SER 75 -5.869 -1.178 -1.178
568 HA SER 75 HA SER 75 -6.817 0.757 0.757
569 1HB SER 75 HB2 SER 75 -8.522 0.360 0.360
570 2HB SER 75 HB3 SER 75 -8.062 -1.258 -1.258
571 HG SER 75 HG SER 75 -8.181 -0.427 -0.427
572 H LEU 76 HN LEU 76 -5.091 2.287 2.287
573 HA LEU 76 HA LEU 76 -4.195 2.664 2.664
574 1HB LEU 76 HB2 LEU 76 -2.762 3.958 3.958
575 2HB LEU 76 HB3 LEU 76 -2.153 3.310 3.310
576 HG LEU 76 HG LEU 76 -2.996 1.029 1.029
577 1HD1 LEU 76 HD12 LEU 76 -3.196 2.785 2.785
578 2HD1 LEU 76 HD13 LEU 76 -1.468 2.388 2.388
579 3HD1 LEU 76 HD11 LEU 76 -2.688 1.095 1.095
580 1HD2 LEU 76 HD23 LEU 76 -0.604 2.156 2.156
581 2HD2 LEU 76 HD21 LEU 76 -0.929 0.457 0.457
582 3HD2 LEU 76 HD22 LEU 76 -0.245 1.557 1.557
583 H ASP 77 HN ASP 77 -4.741 4.518 4.518
584 HA ASP 77 HA ASP 77 -6.011 6.555 6.555
585 1HB ASP 77 HB2 ASP 77 -7.106 7.044 7.044
586 2HB ASP 77 HB3 ASP 77 -7.838 5.957 5.957
587 H VAL 78 HN VAL 78 -3.263 5.777 5.777
588 HA VAL 78 HA VAL 78 -1.576 6.958 6.958
589 HB VAL 78 HB VAL 78 -3.284 9.062 9.062
590 1HG1 VAL 78 HG12 VAL 78 -1.379 9.602 9.602
591 2HG1 VAL 78 HG13 VAL 78 -1.481 10.760 10.760
592 3HG1 VAL 78 HG11 VAL 78 -2.933 10.377 10.377
593 1HG2 VAL 78 HG22 VAL 78 -0.957 7.656 7.656
594 2HG2 VAL 78 HG23 VAL 78 -1.677 9.028 9.028
595 3HG2 VAL 78 HG21 VAL 78 -0.408 9.314 9.314
596 H GLY 79 HN GLY 79 -4.704 8.495 8.495
597 1HA GLY 79 HA1 GLY 79 -3.943 9.289 9.289
598 2HA GLY 79 HA2 GLY 79 -5.566 8.827 8.827
599 H GLY 80 HN GLY 80 -4.076 6.069 6.069
600 1HA GLY 80 HA1 GLY 80 -4.233 4.972 4.972
601 2HA GLY 80 HA2 GLY 80 -4.816 4.145 4.145
602 H LYS 81 HN LYS 81 -2.526 5.110 5.110
603 HA LYS 81 HA LYS 81 -0.487 3.327 3.327
604 1HB LYS 81 HB2 LYS 81 -0.113 3.676 3.676
605 2HB LYS 81 HB3 LYS 81 -0.530 2.218 2.218
606 1HG LYS 81 HG2 LYS 81 -2.571 4.321 4.321
607 2HG LYS 81 HG3 LYS 81 -2.206 2.882 2.882
608 1HD LYS 81 HD2 LYS 81 -3.264 1.459 1.459
609 2HD LYS 81 HD3 LYS 81 -2.868 2.450 2.450
610 1HE LYS 81 HE2 LYS 81 -5.077 3.058 3.058
611 2HE LYS 81 HE3 LYS 81 -4.541 4.167 4.167
612 1HZ LYS 81 HZ3 LYS 81 -4.905 1.762 1.762
613 2HZ LYS 81 HZ1 LYS 81 -6.191 1.914 1.914
614 3HZ LYS 81 HZ2 LYS 81 -5.869 3.076 3.076
615 H LYS 82 HN LYS 82 -0.009 5.430 5.430
616 HA LYS 82 HA LYS 82 0.852 7.744 7.744
617 1HB LYS 82 HB2 LYS 82 3.378 7.335 7.335
618 2HB LYS 82 HB3 LYS 82 2.348 6.878 6.878
619 1HG LYS 82 HG2 LYS 82 2.422 4.612 4.612
620 2HG LYS 82 HG3 LYS 82 4.073 5.193 5.193
621 1HD LYS 82 HD2 LYS 82 4.278 4.328 4.328
622 2HD LYS 82 HD3 LYS 82 2.932 5.296 5.296
623 1HE LYS 82 HE2 LYS 82 1.446 3.546 3.546
624 2HE LYS 82 HE3 LYS 82 2.106 2.961 2.961
625 1HZ LYS 82 HZ1 LYS 82 3.456 2.620 2.620
626 2HZ LYS 82 HZ2 LYS 82 2.487 1.491 1.491
627 3HZ LYS 82 HZ3 LYS 82 3.871 1.932 1.932
628 H GLU 83 HN GLU 83 3.081 5.520 5.520
629 HA GLU 83 HA GLU 83 2.137 6.600 6.600
630 1HB GLU 83 HB2 GLU 83 5.074 6.778 6.778
631 2HB GLU 83 HB3 GLU 83 3.914 7.927 7.927
632 1HG GLU 83 HG2 GLU 83 4.926 9.034 9.034
633 2HG GLU 83 HG3 GLU 83 3.348 8.533 8.533
634 H TYR 84 HN TYR 84 3.158 5.437 5.437
635 HA TYR 84 HA TYR 84 4.507 2.961 2.961
636 1HB TYR 84 HB2 TYR 84 2.738 1.748 1.748
637 2HB TYR 84 HB3 TYR 84 2.078 2.434 2.434
638 HD1 TYR 84 HD2 TYR 84 2.706 3.550 3.550
639 HD2 TYR 84 HD1 TYR 84 0.031 3.493 3.493
640 HE1 TYR 84 HE2 TYR 84 0.971 4.815 4.815
641 HE2 TYR 84 HE1 TYR 84 -1.695 4.759 4.759
642 HH TYR 84 HH TYR 84 -1.781 4.895 4.895
643 H LEU 85 HN LEU 85 5.537 1.916 1.916
644 HA LEU 85 HA LEU 85 6.258 3.861 3.861
645 1HB LEU 85 HB2 LEU 85 7.912 2.149 2.149
646 2HB LEU 85 HB3 LEU 85 8.042 2.683 2.683
647 HG LEU 85 HG LEU 85 8.233 0.133 0.133
648 1HD1 LEU 85 HD13 LEU 85 8.043 1.479 1.479
649 2HD1 LEU 85 HD11 LEU 85 6.598 0.444 0.444
650 3HD1 LEU 85 HD12 LEU 85 8.203 -0.290 -0.290
651 1HD2 LEU 85 HD21 LEU 85 5.246 0.484 0.484
652 2HD2 LEU 85 HD22 LEU 85 6.082 -0.045 -0.045
653 3HD2 LEU 85 HD23 LEU 85 6.112 -1.072 -1.072
654 H ILE 86 HN ILE 86 3.617 1.974 1.974
655 HA ILE 86 HA ILE 86 2.636 0.420 0.420
656 HB ILE 86 HB ILE 86 2.056 3.235 3.235
657 1HG1 ILE 86 HG12 ILE 86 -0.215 2.474 2.474
658 2HG1 ILE 86 HG13 ILE 86 0.204 0.879 0.879
659 1HG2 ILE 86 HG22 ILE 86 1.748 1.731 1.731
660 2HG2 ILE 86 HG23 ILE 86 0.571 2.983 2.983
661 3HG2 ILE 86 HG21 ILE 86 2.292 3.401 3.401
662 1HD1 ILE 86 HD12 ILE 86 1.905 1.506 1.506
663 2HD1 ILE 86 HD13 ILE 86 0.204 1.785 1.785
664 3HD1 ILE 86 HD11 ILE 86 0.715 0.194 0.194
665 H ALA 87 HN ALA 87 3.809 -0.960 -0.960
666 HA ALA 87 HA ALA 87 4.770 0.175 0.175
667 1HB ALA 87 HB3 ALA 87 6.218 -1.325 -1.325
668 2HB ALA 87 HB1 ALA 87 6.454 -1.943 -1.943
669 3HB ALA 87 HB2 ALA 87 6.841 -0.248 -0.248
670 H GLY 88 HN GLY 88 3.378 -0.589 -0.589
671 1HA GLY 88 HA1 GLY 88 2.875 -3.485 -3.485
672 2HA GLY 88 HA2 GLY 88 1.508 -2.388 -2.388
673 H LYS 89 HN LYS 89 1.402 -3.839 -3.839
674 HA LYS 89 HA LYS 89 3.053 -3.410 -3.410
675 1HB LYS 89 HB2 LYS 89 1.058 -3.956 -3.956
676 2HB LYS 89 HB3 LYS 89 1.344 -5.078 -5.078
677 1HG LYS 89 HG2 LYS 89 -0.310 -3.100 -3.100
678 2HG LYS 89 HG3 LYS 89 -0.959 -3.307 -3.307
679 1HD LYS 89 HD2 LYS 89 -1.493 -5.574 -5.574
680 2HD LYS 89 HD3 LYS 89 -0.283 -5.780 -5.780
681 1HE LYS 89 HE2 LYS 89 -1.886 -5.429 -5.429
682 2HE LYS 89 HE3 LYS 89 -2.054 -3.782 -3.782
683 1HZ LYS 89 HZ2 LYS 89 -3.394 -5.962 -5.962
684 2HZ LYS 89 HZ3 LYS 89 -4.063 -5.314 -5.314
685 3HZ LYS 89 HZ1 LYS 89 -3.782 -4.376 -4.376
686 H ALA 90 HN ALA 90 0.459 -1.305 -1.305
687 HA ALA 90 HA ALA 90 0.279 0.921 0.921
688 1HB ALA 90 HB1 ALA 90 2.821 0.751 0.751
689 2HB ALA 90 HB2 ALA 90 2.208 1.026 1.026
690 3HB ALA 90 HB3 ALA 90 1.905 2.232 2.232
691 H GLU 91 HN GLU 91 -0.482 2.555 2.555
692 HA GLU 91 HA GLU 91 -1.817 0.980 0.980
693 1HB GLU 91 HB2 GLU 91 -3.244 1.757 1.757
694 2HB GLU 91 HB3 GLU 91 -3.222 3.320 3.320
695 1HG GLU 91 HG2 GLU 91 -5.214 2.168 2.168
696 2HG GLU 91 HG3 GLU 91 -4.099 2.203 2.203
697 H GLY 92 HN GLY 92 0.445 3.279 3.279
698 1HA GLY 92 HA1 GLY 92 1.259 4.233 4.233
699 2HA GLY 92 HA2 GLY 92 -0.315 4.995 4.995
700 H ASP 93 HN ASP 93 -0.354 7.093 7.093
701 HA ASP 93 HA ASP 93 1.376 7.763 7.763
702 1HB ASP 93 HB2 ASP 93 1.516 8.746 8.746
703 2HB ASP 93 HB3 ASP 93 0.967 10.067 10.067
704 H GLY 94 HN GLY 94 0.413 9.295 9.295
705 1HA GLY 94 HA1 GLY 94 -1.167 10.704 10.704
706 2HA GLY 94 HA2 GLY 94 -2.032 10.661 10.661
707 H LYS 95 HN LYS 95 -1.461 7.452 7.452
708 HA LYS 95 HA LYS 95 -3.165 6.824 6.824
709 1HB LYS 95 HB2 LYS 95 -5.251 6.428 6.428
710 2HB LYS 95 HB3 LYS 95 -4.789 7.945 7.945
711 1HG LYS 95 HG2 LYS 95 -4.326 5.220 5.220
712 2HG LYS 95 HG3 LYS 95 -5.742 6.208 6.208
713 1HD LYS 95 HD2 LYS 95 -2.843 7.002 7.002
714 2HD LYS 95 HD3 LYS 95 -4.043 6.580 6.580
715 1HE LYS 95 HE2 LYS 95 -4.072 9.010 9.010
716 2HE LYS 95 HE3 LYS 95 -3.891 9.013 9.013
717 1HZ LYS 95 HZ1 LYS 95 -6.121 8.053 8.053
718 2HZ LYS 95 HZ2 LYS 95 -6.282 8.172 8.172
719 3HZ LYS 95 HZ3 LYS 95 -6.125 9.521 9.521
720 H MET 96 HN MET 96 -3.075 4.605 4.605
721 HA MET 96 HA MET 96 -2.040 2.939 2.939
722 1HB MET 96 HB2 MET 96 -0.467 2.014 2.014
723 2HB MET 96 HB3 MET 96 0.067 3.306 3.306
724 1HG MET 96 HG2 MET 96 0.017 4.852 4.852
725 2HG MET 96 HG3 MET 96 -1.561 4.328 4.328
726 1HE MET 96 HE3 MET 96 1.856 4.645 4.645
727 2HE MET 96 HE1 MET 96 1.629 4.731 4.731
728 3HE MET 96 HE2 MET 96 2.541 3.379 3.379
729 H HIS 97 HN HIS 97 -1.564 0.593 0.593
730 HA HIS 97 HA HIS 97 -4.089 0.189 0.189
731 1HB HIS 97 HB2 HIS 97 -3.125 -1.082 -1.082
732 2HB HIS 97 HB3 HIS 97 -3.544 -2.244 -2.244
733 HD1 HIS 97 HD1 HIS 97 -5.568 -2.936 -2.936
734 HD2 HIS 97 HD2 HIS 97 -5.780 0.925 0.925
735 HE1 HIS 97 HE1 HIS 97 -7.973 -2.150 -2.150
736 H ILE 98 HN ILE 98 -3.881 -0.810 -0.810
737 HA ILE 98 HA ILE 98 -1.470 -2.371 -2.371
738 HB ILE 98 HB ILE 98 -0.948 -1.213 -1.213
739 1HG1 ILE 98 HG12 ILE 98 -3.378 0.464 0.464
740 2HG1 ILE 98 HG13 ILE 98 -3.054 -0.474 -0.474
741 1HG2 ILE 98 HG23 ILE 98 -0.253 -0.389 -0.389
742 2HG2 ILE 98 HG21 ILE 98 -1.159 1.060 1.060
743 3HG2 ILE 98 HG22 ILE 98 0.222 0.497 0.497
744 1HD1 ILE 98 HD12 ILE 98 -1.000 1.595 1.595
745 2HD1 ILE 98 HD13 ILE 98 -2.604 2.213 2.213
746 3HD1 ILE 98 HD11 ILE 98 -1.707 1.146 1.146
747 H THR 99 HN THR 99 -1.861 -4.171 -4.171
748 HA THR 99 HA THR 99 -4.447 -4.267 -4.267
749 HB THR 99 HB THR 99 -4.688 -6.608 -6.608
750 HG1 THR 99 HG1 THR 99 -3.009 -7.321 -7.321
751 1HG2 THR 99 HG21 THR 99 -4.432 -4.252 -4.252
752 2HG2 THR 99 HG22 THR 99 -4.743 -5.880 -5.880
753 3HG2 THR 99 HG23 THR 99 -5.897 -5.138 -5.138
754 H LEU 100 HN LEU 100 -4.543 -6.095 -6.095
755 HA LEU 100 HA LEU 100 -2.328 -5.854 -5.854
756 1HB LEU 100 HB2 LEU 100 -3.582 -7.002 -7.002
757 2HB LEU 100 HB3 LEU 100 -4.818 -6.302 -6.302
758 HG LEU 100 HG LEU 100 -3.991 -8.972 -8.972
759 1HD1 LEU 100 HD13 LEU 100 -4.435 -8.553 -8.553
760 2HD1 LEU 100 HD11 LEU 100 -5.632 -9.669 -9.669
761 3HD1 LEU 100 HD12 LEU 100 -3.892 -10.005 -10.005
762 1HD2 LEU 100 HD23 LEU 100 -6.496 -7.402 -7.402
763 2HD2 LEU 100 HD21 LEU 100 -5.916 -8.313 -8.313
764 3HD2 LEU 100 HD22 LEU 100 -6.615 -9.178 -9.178
765 H CYS 101 HN CYS 101 -3.094 -7.995 -7.995
766 HA CYS 101 HA CYS 101 -1.303 -10.048 -10.048
767 1HB CYS 101 HB2 CYS 101 -1.841 -10.212 -10.212
768 2HB CYS 101 HB3 CYS 101 -2.383 -11.255 -11.255
769 H ASP 102 HN ASP 102 -1.263 -7.066 -7.066
770 HA ASP 102 HA ASP 102 1.189 -7.673 -7.673
771 1HB ASP 102 HB2 ASP 102 -0.780 -5.941 -5.941
772 2HB ASP 102 HB3 ASP 102 0.189 -4.849 -4.849
773 H PHE 103 HN PHE 103 3.060 -5.874 -5.874
774 HA PHE 103 HA PHE 103 3.890 -6.048 -6.048
775 1HB PHE 103 HB2 PHE 103 5.555 -6.094 -6.094
776 2HB PHE 103 HB3 PHE 103 4.812 -4.756 -4.756
777 HD1 PHE 103 HD2 PHE 103 5.272 -4.472 -4.472
778 HD2 PHE 103 HD1 PHE 103 7.013 -3.685 -3.685
779 HE1 PHE 103 HE2 PHE 103 6.895 -2.887 -2.887
780 HE2 PHE 103 HE1 PHE 103 8.635 -2.100 -2.100
781 HZ PHE 103 HZ PHE 103 8.557 -1.720 -1.720
782 H ILE 104 HN ILE 104 3.389 -4.709 -4.709
783 HA ILE 104 HA ILE 104 3.352 -1.900 -1.900
784 HB ILE 104 HB ILE 104 0.907 -1.759 -1.759
785 1HG1 ILE 104 HG12 ILE 104 0.827 -4.419 -4.419
786 2HG1 ILE 104 HG13 ILE 104 0.567 -4.180 -4.180
787 1HG2 ILE 104 HG22 ILE 104 2.123 -1.288 -1.288
788 2HG2 ILE 104 HG23 ILE 104 0.830 -2.415 -2.415
789 3HG2 ILE 104 HG21 ILE 104 0.426 -0.906 -0.906
790 1HD1 ILE 104 HD12 ILE 104 -1.324 -2.542 -2.542
791 2HD1 ILE 104 HD13 ILE 104 -1.161 -3.198 -3.198
792 3HD1 ILE 104 HD11 ILE 104 -1.622 -4.270 -4.270
793 H VAL 105 HN VAL 105 3.697 -0.878 -0.878
794 HA VAL 105 HA VAL 105 3.076 -2.233 -2.233
795 HB VAL 105 HB VAL 105 5.753 -1.820 -1.820
796 1HG1 VAL 105 HG11 VAL 105 4.008 -4.197 -4.197
797 2HG1 VAL 105 HG12 VAL 105 5.767 -4.460 -4.460
798 3HG1 VAL 105 HG13 VAL 105 4.923 -3.717 -3.717
799 1HG2 VAL 105 HG23 VAL 105 5.429 -3.004 -3.004
800 2HG2 VAL 105 HG21 VAL 105 6.273 -1.499 -1.499
801 3HG2 VAL 105 HG22 VAL 105 6.923 -3.069 -3.069
802 HA PRO 106 HA PRO 106 3.143 1.884 1.884
803 1HB PRO 106 HB2 PRO 106 3.530 1.660 1.660
804 2HB PRO 106 HB3 PRO 106 1.979 1.391 1.391
805 1HG PRO 106 HG2 PRO 106 3.876 -0.597 -0.597
806 2HG PRO 106 HG3 PRO 106 2.177 -0.794 -0.794
807 1HD PRO 106 HD2 PRO 106 4.399 -1.730 -1.730
808 2HD PRO 106 HD3 PRO 106 2.704 -1.825 -1.825
809 H TRP 107 HN TRP 107 5.828 0.296 0.296
810 HA TRP 107 HA TRP 107 7.926 0.988 0.988
811 1HB TRP 107 HB2 TRP 107 6.922 3.193 3.193
812 2HB TRP 107 HB3 TRP 107 7.064 3.668 3.668
813 HD1 TRP 107 HD1 TRP 107 9.637 2.162 2.162
814 HE1 TRP 107 HE1 TRP 107 11.919 3.483 3.483
815 HE3 TRP 107 HE3 TRP 107 8.166 5.430 5.430
816 HZ2 TRP 107 HZ2 TRP 107 12.832 5.696 5.696
817 HZ3 TRP 107 HZ3 TRP 107 9.815 7.139 7.139
818 HH2 TRP 107 HH2 TRP 107 12.077 7.304 7.304
819 H ASP 108 HN ASP 108 6.554 2.501 2.501
820 HA ASP 108 HA ASP 108 8.865 1.974 1.974
821 1HB ASP 108 HB2 ASP 108 6.932 3.659 3.659
822 2HB ASP 108 HB3 ASP 108 6.059 2.303 2.303
823 H THR 109 HN THR 109 8.461 -0.452 -0.452
824 HA THR 109 HA THR 109 7.951 -2.185 -2.185
825 HB THR 109 HB THR 109 6.167 -3.469 -3.469
826 HG1 THR 109 HG1 THR 109 6.285 -2.366 -2.366
827 1HG2 THR 109 HG22 THR 109 5.632 -1.920 -1.920
828 2HG2 THR 109 HG23 THR 109 5.311 -0.650 -0.650
829 3HG2 THR 109 HG21 THR 109 4.326 -2.132 -2.132
830 H LEU 110 HN LEU 110 8.186 -2.094 -2.094
831 HA LEU 110 HA LEU 110 9.105 -3.932 -3.932
832 1HB LEU 110 HB2 LEU 110 11.341 -2.117 -2.117
833 2HB LEU 110 HB3 LEU 110 11.359 -3.142 -3.142
834 HG LEU 110 HG LEU 110 9.438 -0.839 -0.839
835 1HD1 LEU 110 HD11 LEU 110 11.978 -0.984 -0.984
836 2HD1 LEU 110 HD12 LEU 110 10.785 0.335 0.335
837 3HD1 LEU 110 HD13 LEU 110 11.680 0.025 0.025
838 1HD2 LEU 110 HD22 LEU 110 9.309 -3.033 -3.033
839 2HD2 LEU 110 HD23 LEU 110 8.290 -1.574 -1.574
840 3HD2 LEU 110 HD21 LEU 110 9.764 -1.609 -1.609
841 H SER 111 HN SER 111 12.144 -3.615 -3.615
842 HA SER 111 HA SER 111 12.277 -5.071 -5.071
843 1HB SER 111 HB2 SER 111 11.312 -6.902 -6.902
844 2HB SER 111 HB3 SER 111 12.510 -7.549 -7.549
845 HG SER 111 HG SER 111 11.107 -7.002 -7.002
846 H THR 112 HN THR 112 13.267 -5.242 -5.242
847 HA THR 112 HA THR 112 15.748 -4.327 -4.327
848 HB THR 112 HB THR 112 15.593 -7.016 -7.016
849 HG1 THR 112 HG1 THR 112 16.659 -5.591 -5.591
850 1HG2 THR 112 HG21 THR 112 17.610 -6.300 -6.300
851 2HG2 THR 112 HG22 THR 112 18.169 -7.152 -7.152
852 3HG2 THR 112 HG23 THR 112 16.935 -7.894 -7.894
853 H THR 113 HN THR 113 14.658 -7.625 -7.625
854 HA THR 113 HA THR 113 15.819 -7.535 -7.535
855 HB THR 113 HB THR 113 13.407 -8.922 -8.922
856 HG1 THR 113 HG1 THR 113 15.344 -9.936 -9.936
857 1HG2 THR 113 HG21 THR 113 14.496 -9.275 -9.275
858 2HG2 THR 113 HG22 THR 113 13.362 -10.384 -10.384
859 3HG2 THR 113 HG23 THR 113 12.856 -8.723 -8.723
860 H GLN 114 HN GLN 114 12.992 -5.793 -5.793
861 HA GLN 114 HA GLN 114 12.094 -5.240 -5.240
862 1HB GLN 114 HB2 GLN 114 11.220 -4.480 -4.480
863 2HB GLN 114 HB3 GLN 114 10.637 -3.526 -3.526
864 1HG GLN 114 HG2 GLN 114 8.983 -5.140 -5.140
865 2HG GLN 114 HG3 GLN 114 10.134 -5.968 -5.968
866 1HE2 GLN 114 HE22 GLN 114 11.367 -8.144 -8.144
867 2HE2 GLN 114 HE21 GLN 114 11.941 -7.101 -7.101
868 H LYS 115 HN LYS 115 14.215 -3.804 -3.804
869 HA LYS 115 HA LYS 115 14.204 -1.206 -1.206
870 1HB LYS 115 HB2 LYS 115 15.235 -2.472 -2.472
871 2HB LYS 115 HB3 LYS 115 16.467 -1.481 -1.481
872 1HG LYS 115 HG2 LYS 115 15.266 0.496 0.496
873 2HG LYS 115 HG3 LYS 115 13.710 -0.300 -0.300
874 1HD LYS 115 HD2 LYS 115 15.580 -0.199 -0.199
875 2HD LYS 115 HD3 LYS 115 13.920 0.353 0.353
876 1HE LYS 115 HE2 LYS 115 13.329 -2.153 -2.153
877 2HE LYS 115 HE3 LYS 115 14.939 -2.510 -2.510
878 1HZ LYS 115 HZ1 LYS 115 13.790 -0.776 -0.776
879 2HZ LYS 115 HZ2 LYS 115 12.653 -1.902 -1.902
880 3HZ LYS 115 HZ3 LYS 115 14.123 -2.360 -2.360
881 H LYS 116 HN LYS 116 16.299 -4.138 -4.138
882 HA LYS 116 HA LYS 116 18.359 -2.994 -2.994
883 1HB LYS 116 HB2 LYS 116 19.200 -5.176 -5.176
884 2HB LYS 116 HB3 LYS 116 18.366 -5.153 -5.153
885 1HG LYS 116 HG2 LYS 116 17.222 -6.979 -6.979
886 2HG LYS 116 HG3 LYS 116 16.339 -5.893 -5.893
887 1HD LYS 116 HD2 LYS 116 19.015 -6.779 -6.779
888 2HD LYS 116 HD3 LYS 116 17.796 -8.033 -8.033
889 1HE LYS 116 HE2 LYS 116 16.890 -7.283 -7.283
890 2HE LYS 116 HE3 LYS 116 16.468 -5.783 -5.783
891 1HZ LYS 116 HZ1 LYS 116 19.134 -6.270 -6.270
892 2HZ LYS 116 HZ2 LYS 116 17.928 -5.577 -5.577
893 3HZ LYS 116 HZ3 LYS 116 18.504 -4.843 -4.843
894 H SER 117 HN SER 117 15.102 -3.938 -3.938
895 HA SER 117 HA SER 117 15.761 -4.194 -4.194
896 1HB SER 117 HB2 SER 117 13.727 -5.208 -5.208
897 2HB SER 117 HB3 SER 117 12.900 -4.036 -4.036
898 HG SER 117 HG SER 117 13.433 -5.161 -5.161
899 H LEU 118 HN LEU 118 15.157 -1.699 -1.699
900 HA LEU 118 HA LEU 118 13.592 -0.010 -0.010
901 1HB LEU 118 HB2 LEU 118 15.077 0.358 0.358
902 2HB LEU 118 HB3 LEU 118 14.340 1.710 1.710
903 HG LEU 118 HG LEU 118 12.785 -0.754 -0.754
904 1HD1 LEU 118 HD13 LEU 118 13.980 0.982 0.982
905 2HD1 LEU 118 HD11 LEU 118 12.332 1.633 1.633
906 3HD1 LEU 118 HD12 LEU 118 12.574 -0.061 -0.061
907 1HD2 LEU 118 HD22 LEU 118 12.059 1.960 1.960
908 2HD2 LEU 118 HD23 LEU 118 11.534 0.348 0.348
909 3HD2 LEU 118 HD21 LEU 118 10.903 1.026 1.026
910 H ASN 119 HN ASN 119 17.005 -0.788 -0.788
911 HA ASN 119 HA ASN 119 17.702 1.532 1.532
912 1HB ASN 119 HB2 ASN 119 20.097 0.751 0.751
913 2HB ASN 119 HB3 ASN 119 19.146 1.277 1.277
914 1HD2 ASN 119 HD22 ASN 119 20.317 -2.635 -2.635
915 2HD2 ASN 119 HD21 ASN 119 20.479 -1.441 -1.441
916 H HIS 120 HN HIS 120 16.360 -1.225 -1.225
917 HA HIS 120 HA HIS 120 18.393 -2.354 -2.354
918 1HB HIS 120 HB2 HIS 120 16.992 -4.185 -4.185
919 2HB HIS 120 HB3 HIS 120 16.679 -3.662 -3.662
920 HD1 HIS 120 HD1 HIS 120 14.859 -1.168 -1.168
921 HD2 HIS 120 HD2 HIS 120 14.312 -5.327 -5.327
922 HE1 HIS 120 HE1 HIS 120 12.391 -1.567 -1.567
923 H ARG 121 HN ARG 121 16.530 0.359 0.359
924 HA ARG 121 HA ARG 121 16.019 1.706 1.706
925 1HB ARG 121 HB2 ARG 121 17.868 -0.085 -0.085
926 2HB ARG 121 HB3 ARG 121 16.573 0.239 0.239
927 1HG ARG 121 HG2 ARG 121 18.489 1.896 1.896
928 2HG ARG 121 HG3 ARG 121 16.920 2.634 2.634
929 1HD ARG 121 HD2 ARG 121 17.607 3.545 3.545
930 2HD ARG 121 HD3 ARG 121 18.061 1.971 1.971
931 HE ARG 121 HE ARG 121 20.005 3.007 3.007
932 1HH1 ARG 121 HH22 ARG 121 18.993 3.099 3.099
933 2HH1 ARG 121 HH21 ARG 121 20.553 3.564 3.564
934 1HH2 ARG 121 HH12 ARG 121 22.064 3.621 3.621
935 2HH2 ARG 121 HH11 ARG 121 22.313 3.863 3.863
936 H TYR 122 HN TYR 122 15.444 -1.684 -1.684
937 HA TYR 122 HA TYR 122 12.706 -1.655 -1.655
938 1HB TYR 122 HB2 TYR 122 12.431 0.047 0.047
939 2HB TYR 122 HB3 TYR 122 13.880 -0.433 -0.433
940 HD1 TYR 122 HD2 TYR 122 10.754 -2.288 -2.288
941 HD2 TYR 122 HD1 TYR 122 13.358 -1.006 -1.006
942 HE1 TYR 122 HE2 TYR 122 9.339 -3.548 -3.548
943 HE2 TYR 122 HE1 TYR 122 11.933 -2.270 -2.270
944 HH TYR 122 HH TYR 122 10.210 -4.538 -4.538
945 H GLN 123 HN GLN 123 13.073 -3.823 -3.823
946 HA GLN 123 HA GLN 123 13.493 -5.946 -5.946
947 1HB GLN 123 HB2 GLN 123 11.483 -5.804 -5.804
948 2HB GLN 123 HB3 GLN 123 12.435 -5.356 -5.356
949 1HG GLN 123 HG2 GLN 123 13.604 -7.765 -7.765
950 2HG GLN 123 HG3 GLN 123 11.871 -8.017 -8.017
951 1HE2 GLN 123 HE21 GLN 123 12.724 -9.642 -9.642
952 2HE2 GLN 123 HE22 GLN 123 12.639 -9.182 -9.182
953 H MET 124 HN MET 124 15.863 -4.657 -4.657
954 HA MET 124 HA MET 124 17.309 -5.035 -5.035
955 1HB MET 124 HB2 MET 124 17.712 -4.018 -4.018
956 2HB MET 124 HB3 MET 124 19.074 -5.028 -5.028
957 1HG MET 124 HG2 MET 124 18.166 -3.126 -3.126
958 2HG MET 124 HG3 MET 124 18.838 -2.374 -2.374
959 1HE MET 124 HE2 MET 124 19.053 -4.846 -4.846
960 2HE MET 124 HE3 MET 124 20.185 -3.743 -3.743
961 3HE MET 124 HE1 MET 124 20.761 -5.308 -5.308
962 H GLY 125 HN GLY 125 16.178 -7.431 -7.431
963 1HA GLY 125 HA1 GLY 125 16.635 -9.630 -9.630
964 2HA GLY 125 HA2 GLY 125 18.325 -9.253 -9.253
965 H CYS 126 HN CYS 126 16.372 -7.883 -7.883
966 HA CYS 126 HA CYS 126 17.518 -9.307 -9.307
967 1HB CYS 126 HB2 CYS 126 16.147 -8.166 -8.166
968 2HB CYS 126 HB3 CYS 126 16.086 -7.142 -7.142
969 H GLU 127 HN GLU 127 15.967 -10.639 -10.639
970 HA GLU 127 HA GLU 127 13.921 -12.161 -12.161
971 1HB GLU 127 HB2 GLU 127 15.639 -13.149 -13.149
972 2HB GLU 127 HB3 GLU 127 16.622 -13.575 -13.575
973 1HG GLU 127 HG2 GLU 127 14.048 -14.643 -14.643
974 2HG GLU 127 HG3 GLU 127 14.328 -14.990 -14.990
Start of MODEL 30
1 H CYS 1 HN CYS 1 -12.123 -10.277 -10.277
2 HA CYS 1 HA CYS 1 -10.699 -12.690 -12.690
3 1HB CYS 1 HB2 CYS 1 -8.805 -11.358 -11.358
4 2HB CYS 1 HB3 CYS 1 -10.228 -10.864 -10.864
5 H SER 2 HN SER 2 -8.194 -12.036 -12.036
6 HA SER 2 HA SER 2 -8.019 -10.858 -10.858
7 1HB SER 2 HB2 SER 2 -8.366 -13.181 -13.181
8 2HB SER 2 HB3 SER 2 -9.528 -11.872 -11.872
9 HG SER 2 HG SER 2 -10.076 -14.305 -14.305
10 H CYS 3 HN CYS 3 -6.223 -11.333 -11.333
11 HA CYS 3 HA CYS 3 -4.770 -13.735 -13.735
12 1HB CYS 3 HB2 CYS 3 -3.446 -11.344 -11.344
13 2HB CYS 3 HB3 CYS 3 -3.438 -13.013 -13.013
14 H SER 4 HN SER 4 -2.064 -12.646 -12.646
15 HA SER 4 HA SER 4 -1.977 -11.206 -11.206
16 1HB SER 4 HB2 SER 4 -0.614 -12.822 -12.822
17 2HB SER 4 HB3 SER 4 -2.038 -13.665 -13.665
18 HG SER 4 HG SER 4 0.607 -13.700 -13.700
19 HA PRO 5 HA PRO 5 1.342 -9.623 -9.623
20 1HB PRO 5 HB2 PRO 5 2.003 -7.528 -7.528
21 2HB PRO 5 HB3 PRO 5 0.728 -7.446 -7.446
22 1HG PRO 5 HG2 PRO 5 0.497 -7.686 -7.686
23 2HG PRO 5 HG3 PRO 5 -0.717 -7.182 -7.182
24 1HD PRO 5 HD2 PRO 5 -0.538 -9.734 -9.734
25 2HD PRO 5 HD3 PRO 5 -1.681 -9.269 -9.269
26 H VAL 6 HN VAL 6 2.473 -11.671 -11.671
27 HA VAL 6 HA VAL 6 4.311 -11.547 -11.547
28 HB VAL 6 HB VAL 6 3.033 -13.598 -13.598
29 1HG1 VAL 6 HG11 VAL 6 4.195 -13.070 -13.070
30 2HG1 VAL 6 HG12 VAL 6 4.599 -14.710 -14.710
31 3HG1 VAL 6 HG13 VAL 6 2.897 -14.199 -14.199
32 1HG2 VAL 6 HG21 VAL 6 5.845 -13.338 -13.338
33 2HG2 VAL 6 HG22 VAL 6 4.671 -14.540 -14.540
34 3HG2 VAL 6 HG23 VAL 6 5.555 -14.827 -14.827
35 H HIS 7 HN HIS 7 6.009 -13.301 -13.301
36 HA HIS 7 HA HIS 7 8.058 -12.810 -12.810
37 1HB HIS 7 HB2 HIS 7 7.648 -11.349 -11.349
38 2HB HIS 7 HB3 HIS 7 7.226 -13.045 -13.045
39 HD1 HIS 7 HD1 HIS 7 4.941 -13.534 -13.534
40 HD2 HIS 7 HD2 HIS 7 5.206 -9.682 -9.682
41 HE1 HIS 7 HE1 HIS 7 2.639 -12.472 -12.472
42 HA PRO 8 HA PRO 8 8.849 -8.849 -8.849
43 1HB PRO 8 HB2 PRO 8 11.156 -9.569 -9.569
44 2HB PRO 8 HB3 PRO 8 9.572 -9.695 -9.695
45 1HG PRO 8 HG2 PRO 8 11.286 -11.845 -11.845
46 2HG PRO 8 HG3 PRO 8 9.930 -11.973 -11.973
47 1HD PRO 8 HD2 PRO 8 9.932 -12.598 -12.598
48 2HD PRO 8 HD3 PRO 8 8.550 -12.615 -12.615
49 H GLN 9 HN GLN 9 9.936 -10.374 -10.374
50 HA GLN 9 HA GLN 9 11.695 -8.149 -8.149
51 1HB GLN 9 HB2 GLN 9 13.201 -9.960 -9.960
52 2HB GLN 9 HB3 GLN 9 12.469 -11.072 -11.072
53 1HG GLN 9 HG2 GLN 9 13.912 -10.375 -10.375
54 2HG GLN 9 HG3 GLN 9 13.217 -8.769 -8.769
55 1HE2 GLN 9 HE22 GLN 9 15.591 -7.650 -7.650
56 2HE2 GLN 9 HE21 GLN 9 13.878 -7.749 -7.749
57 H GLN 10 HN GLN 10 9.930 -11.082 -11.082
58 HA GLN 10 HA GLN 10 10.053 -10.413 -10.413
59 1HB GLN 10 HB2 GLN 10 9.152 -12.475 -12.475
60 2HB GLN 10 HB3 GLN 10 8.988 -12.506 -12.506
61 1HG GLN 10 HG2 GLN 10 6.762 -12.804 -12.804
62 2HG GLN 10 HG3 GLN 10 6.801 -11.060 -11.060
63 1HE2 GLN 10 HE22 GLN 10 5.108 -11.719 -11.719
64 2HE2 GLN 10 HE21 GLN 10 4.853 -11.912 -11.912
65 H ALA 11 HN ALA 11 8.548 -8.786 -8.786
66 HA ALA 11 HA ALA 11 6.165 -8.019 -8.019
67 1HB ALA 11 HB1 ALA 11 7.270 -7.838 -7.838
68 2HB ALA 11 HB2 ALA 11 6.556 -6.295 -6.295
69 3HB ALA 11 HB3 ALA 11 5.575 -7.780 -7.780
70 H PHE 12 HN PHE 12 9.482 -6.846 -6.846
71 HA PHE 12 HA PHE 12 8.834 -4.290 -4.290
72 1HB PHE 12 HB2 PHE 12 11.379 -5.627 -5.627
73 2HB PHE 12 HB3 PHE 12 11.352 -3.981 -3.981
74 HD1 PHE 12 HD1 PHE 12 9.162 -5.963 -5.963
75 HD2 PHE 12 HD2 PHE 12 11.452 -2.442 -2.442
76 HE1 PHE 12 HE1 PHE 12 8.497 -5.144 -5.144
77 HE2 PHE 12 HE2 PHE 12 10.787 -1.622 -1.622
78 HZ PHE 12 HZ PHE 12 9.319 -2.983 -2.983
79 H CYS 13 HN CYS 13 9.524 -7.407 -7.407
80 HA CYS 13 HA CYS 13 11.078 -6.425 -6.425
81 1HB CYS 13 HB2 CYS 13 10.831 -9.030 -9.030
82 2HB CYS 13 HB3 CYS 13 10.961 -9.108 -9.108
83 H ASN 14 HN ASN 14 7.899 -7.001 -7.001
84 HA ASN 14 HA ASN 14 7.028 -7.801 -7.801
85 1HB ASN 14 HB2 ASN 14 6.192 -8.539 -8.539
86 2HB ASN 14 HB3 ASN 14 4.915 -7.485 -7.485
87 1HD2 ASN 14 HD22 ASN 14 5.563 -11.214 -11.214
88 2HD2 ASN 14 HD21 ASN 14 6.636 -10.466 -10.466
89 H ALA 15 HN ALA 15 6.657 -5.347 -5.347
90 HA ALA 15 HA ALA 15 4.656 -3.801 -3.801
91 1HB ALA 15 HB3 ALA 15 7.098 -3.065 -3.065
92 2HB ALA 15 HB1 ALA 15 5.731 -1.966 -1.966
93 3HB ALA 15 HB2 ALA 15 5.473 -3.481 -3.481
94 H ASP 16 HN ASP 16 5.025 -1.461 -1.461
95 HA ASP 16 HA ASP 16 7.299 -1.393 -1.393
96 1HB ASP 16 HB2 ASP 16 4.423 -1.632 -1.632
97 2HB ASP 16 HB3 ASP 16 5.346 -0.426 -0.426
98 H VAL 17 HN VAL 17 5.767 -0.021 -0.021
99 HA VAL 17 HA VAL 17 6.589 2.614 2.614
100 HB VAL 17 HB VAL 17 4.540 2.662 2.662
101 1HG1 VAL 17 HG12 VAL 17 3.445 0.770 0.770
102 2HG1 VAL 17 HG13 VAL 17 3.017 1.962 1.962
103 3HG1 VAL 17 HG11 VAL 17 2.381 2.139 2.139
104 1HG2 VAL 17 HG22 VAL 17 5.254 4.625 4.625
105 2HG2 VAL 17 HG23 VAL 17 3.564 4.612 4.612
106 3HG2 VAL 17 HG21 VAL 17 3.955 4.126 4.126
107 H VAL 18 HN VAL 18 7.821 2.439 2.439
108 HA VAL 18 HA VAL 18 6.319 1.901 1.901
109 HB VAL 18 HB VAL 18 9.268 2.194 2.194
110 1HG1 VAL 18 HG11 VAL 18 7.172 0.954 0.954
111 2HG1 VAL 18 HG12 VAL 18 8.452 -0.220 -0.220
112 3HG1 VAL 18 HG13 VAL 18 8.862 1.304 1.304
113 1HG2 VAL 18 HG23 VAL 18 8.750 0.974 0.974
114 2HG2 VAL 18 HG21 VAL 18 9.732 0.059 0.059
115 3HG2 VAL 18 HG22 VAL 18 7.999 -0.303 -0.303
116 H ILE 19 HN ILE 19 5.642 3.609 3.609
117 HA ILE 19 HA ILE 19 7.358 5.957 5.957
118 HB ILE 19 HB ILE 19 5.629 7.487 7.487
119 1HG1 ILE 19 HG12 ILE 19 3.855 5.132 5.132
120 2HG1 ILE 19 HG13 ILE 19 3.600 6.813 6.813
121 1HG2 ILE 19 HG21 ILE 19 6.897 6.419 6.419
122 2HG2 ILE 19 HG22 ILE 19 5.523 5.309 5.309
123 3HG2 ILE 19 HG23 ILE 19 5.301 7.060 7.060
124 1HD1 ILE 19 HD13 ILE 19 3.278 7.375 7.375
125 2HD1 ILE 19 HD11 ILE 19 3.483 5.653 5.653
126 3HD1 ILE 19 HD12 ILE 19 2.094 6.179 6.179
127 H ARG 20 HN ARG 20 7.635 6.578 6.578
128 HA ARG 20 HA ARG 20 6.117 5.224 5.224
129 1HB ARG 20 HB2 ARG 20 8.632 5.910 5.910
130 2HB ARG 20 HB3 ARG 20 8.067 7.521 7.521
131 1HG ARG 20 HG2 ARG 20 6.686 5.565 5.565
132 2HG ARG 20 HG3 ARG 20 8.417 5.320 5.320
133 1HD ARG 20 HD2 ARG 20 6.902 7.919 7.919
134 2HD ARG 20 HD3 ARG 20 7.744 6.938 6.938
135 HE ARG 20 HE ARG 20 9.448 7.867 7.867
136 1HH1 ARG 20 HH22 ARG 20 8.203 8.583 8.583
137 2HH1 ARG 20 HH21 ARG 20 9.487 9.676 9.676
138 1HH2 ARG 20 HH12 ARG 20 11.143 9.309 9.309
139 2HH2 ARG 20 HH11 ARG 20 11.170 10.093 10.093
140 H THR 21 HN THR 21 4.390 6.810 6.810
141 HA THR 21 HA THR 21 3.952 9.385 9.385
142 HB THR 21 HB THR 21 3.137 8.807 8.807
143 HG1 THR 21 HG1 THR 21 0.913 8.669 8.669
144 1HG2 THR 21 HG21 THR 21 2.813 6.269 6.269
145 2HG2 THR 21 HG22 THR 21 1.204 6.800 6.800
146 3HG2 THR 21 HG23 THR 21 1.677 6.992 6.992
147 H LYS 22 HN LYS 22 1.647 9.921 9.921
148 HA LYS 22 HA LYS 22 1.143 7.996 7.996
149 1HB LYS 22 HB2 LYS 22 0.951 9.799 9.799
150 2HB LYS 22 HB3 LYS 22 2.530 9.857 9.857
151 1HG LYS 22 HG2 LYS 22 1.821 11.670 11.670
152 2HG LYS 22 HG3 LYS 22 0.160 11.533 11.533
153 1HD LYS 22 HD2 LYS 22 2.565 12.522 12.522
154 2HD LYS 22 HD3 LYS 22 1.104 13.405 13.405
155 1HE LYS 22 HE2 LYS 22 -0.176 11.634 11.634
156 2HE LYS 22 HE3 LYS 22 1.390 11.087 11.087
157 1HZ LYS 22 HZ2 LYS 22 1.804 13.378 13.378
158 2HZ LYS 22 HZ3 LYS 22 0.281 13.791 13.791
159 3HZ LYS 22 HZ1 LYS 22 0.531 12.696 12.696
160 H ALA 23 HN ALA 23 -0.910 7.269 7.269
161 HA ALA 23 HA ALA 23 -2.826 8.787 8.787
162 1HB ALA 23 HB1 ALA 23 -2.901 6.010 6.010
163 2HB ALA 23 HB2 ALA 23 -4.180 6.707 6.707
164 3HB ALA 23 HB3 ALA 23 -2.564 6.397 6.397
165 H VAL 24 HN VAL 24 -3.804 10.426 10.426
166 HA VAL 24 HA VAL 24 -4.593 9.852 9.852
167 HB VAL 24 HB VAL 24 -4.816 12.432 12.432
168 1HG1 VAL 24 HG13 VAL 24 -2.213 10.892 10.892
169 2HG1 VAL 24 HG11 VAL 24 -2.292 12.624 12.624
170 3HG1 VAL 24 HG12 VAL 24 -3.194 11.440 11.440
171 1HG2 VAL 24 HG23 VAL 24 -4.432 12.430 12.430
172 2HG2 VAL 24 HG21 VAL 24 -3.657 13.688 13.688
173 3HG2 VAL 24 HG22 VAL 24 -2.709 12.292 12.292
174 H SER 25 HN SER 25 -5.635 10.912 10.912
175 HA SER 25 HA SER 25 -8.368 10.833 10.833
176 1HB SER 25 HB2 SER 25 -8.225 13.009 13.009
177 2HB SER 25 HB3 SER 25 -6.993 12.622 12.622
178 HG SER 25 HG SER 25 -9.105 13.128 13.128
179 H GLU 26 HN GLU 26 -10.003 10.178 10.178
180 HA GLU 26 HA GLU 26 -8.837 8.493 8.493
181 1HB GLU 26 HB2 GLU 26 -10.397 7.396 7.396
182 2HB GLU 26 HB3 GLU 26 -10.444 6.574 6.574
183 1HG GLU 26 HG2 GLU 26 -8.520 5.541 5.541
184 2HG GLU 26 HG3 GLU 26 -7.714 7.068 7.068
185 H LYS 27 HN LYS 27 -10.917 7.255 7.255
186 HA LYS 27 HA LYS 27 -13.202 9.052 9.052
187 1HB LYS 27 HB2 LYS 27 -11.657 10.011 10.011
188 2HB LYS 27 HB3 LYS 27 -11.595 8.476 8.476
189 1HG LYS 27 HG2 LYS 27 -13.754 8.683 8.683
190 2HG LYS 27 HG3 LYS 27 -14.332 9.588 9.588
191 1HD LYS 27 HD2 LYS 27 -14.142 10.945 10.945
192 2HD LYS 27 HD3 LYS 27 -13.297 11.630 11.630
193 1HE LYS 27 HE2 LYS 27 -11.165 10.521 10.521
194 2HE LYS 27 HE3 LYS 27 -12.039 9.993 9.993
195 1HZ LYS 27 HZ2 LYS 27 -12.250 12.794 12.794
196 2HZ LYS 27 HZ3 LYS 27 -10.774 12.289 12.289
197 3HZ LYS 27 HZ1 LYS 27 -12.072 12.062 12.062
198 H GLU 28 HN GLU 28 -14.880 7.718 7.718
199 HA GLU 28 HA GLU 28 -14.644 4.961 4.961
200 1HB GLU 28 HB2 GLU 28 -15.881 5.799 5.799
201 2HB GLU 28 HB3 GLU 28 -17.021 6.632 6.632
202 1HG GLU 28 HG2 GLU 28 -17.104 4.038 4.038
203 2HG GLU 28 HG3 GLU 28 -16.862 3.752 3.752
204 H VAL 29 HN VAL 29 -14.506 4.511 4.511
205 HA VAL 29 HA VAL 29 -16.734 5.518 5.518
206 HB VAL 29 HB VAL 29 -15.249 5.220 5.220
207 1HG1 VAL 29 HG11 VAL 29 -15.059 7.199 7.199
208 2HG1 VAL 29 HG12 VAL 29 -13.391 6.850 6.850
209 3HG1 VAL 29 HG13 VAL 29 -14.611 7.338 7.338
210 1HG2 VAL 29 HG21 VAL 29 -13.619 3.801 3.801
211 2HG2 VAL 29 HG22 VAL 29 -13.551 3.773 3.773
212 3HG2 VAL 29 HG23 VAL 29 -12.681 5.036 5.036
213 H ASP 30 HN ASP 30 -18.288 4.012 4.012
214 HA ASP 30 HA ASP 30 -17.919 1.359 1.359
215 1HB ASP 30 HB2 ASP 30 -19.991 2.986 2.986
216 2HB ASP 30 HB3 ASP 30 -20.054 1.258 1.258
217 H SER 31 HN SER 31 -18.010 -0.561 -0.561
218 HA SER 31 HA SER 31 -17.165 0.083 0.083
219 1HB SER 31 HB2 SER 31 -15.036 -0.362 -0.362
220 2HB SER 31 HB3 SER 31 -15.629 -1.487 -1.487
221 HG SER 31 HG SER 31 -15.466 -1.969 -1.969
222 H GLY 32 HN GLY 32 -19.673 -0.915 -0.915
223 1HA GLY 32 HA1 GLY 32 -21.334 -2.328 -2.328
224 2HA GLY 32 HA2 GLY 32 -20.303 -3.007 -3.007
225 H ASN 33 HN ASN 33 -21.713 -4.921 -4.921
226 HA ASN 33 HA ASN 33 -20.521 -5.878 -5.878
227 1HB ASN 33 HB2 ASN 33 -22.316 -7.539 -7.539
228 2HB ASN 33 HB3 ASN 33 -22.212 -7.564 -7.564
229 1HD2 ASN 33 HD22 ASN 33 -25.310 -5.787 -5.787
230 2HD2 ASN 33 HD21 ASN 33 -24.542 -7.289 -7.289
231 H ASP 34 HN ASP 34 -19.711 -8.285 -8.285
232 HA ASP 34 HA ASP 34 -17.932 -8.562 -8.562
233 1HB ASP 34 HB2 ASP 34 -17.398 -8.744 -8.744
234 2HB ASP 34 HB3 ASP 34 -17.912 -10.403 -10.403
235 H ILE 35 HN ILE 35 -17.486 -11.440 -11.440
236 HA ILE 35 HA ILE 35 -19.790 -12.395 -12.395
237 HB ILE 35 HB ILE 35 -17.212 -13.747 -13.747
238 1HG1 ILE 35 HG12 ILE 35 -16.725 -13.430 -13.430
239 2HG1 ILE 35 HG13 ILE 35 -18.058 -12.294 -12.294
240 1HG2 ILE 35 HG22 ILE 35 -19.623 -14.690 -14.690
241 2HG2 ILE 35 HG23 ILE 35 -18.025 -15.184 -15.184
242 3HG2 ILE 35 HG21 ILE 35 -18.500 -15.575 -15.575
243 1HD1 ILE 35 HD12 ILE 35 -15.950 -11.979 -11.979
244 2HD1 ILE 35 HD13 ILE 35 -15.586 -11.449 -11.449
245 3HD1 ILE 35 HD11 ILE 35 -16.960 -10.737 -10.737
246 H TYR 36 HN TYR 36 -19.220 -11.844 -11.844
247 HA TYR 36 HA TYR 36 -20.598 -14.299 -14.299
248 1HB TYR 36 HB2 TYR 36 -18.286 -13.149 -13.149
249 2HB TYR 36 HB3 TYR 36 -19.409 -12.160 -12.160
250 HD1 TYR 36 HD1 TYR 36 -18.739 -15.780 -15.780
251 HD2 TYR 36 HD2 TYR 36 -20.041 -12.872 -12.872
252 HE1 TYR 36 HE1 TYR 36 -18.898 -17.589 -17.589
253 HE2 TYR 36 HE2 TYR 36 -20.197 -14.691 -14.691
254 HH TYR 36 HH TYR 36 -19.461 -16.785 -16.785
255 H GLY 37 HN GLY 37 -21.286 -11.190 -11.190
256 1HA GLY 37 HA1 GLY 37 -23.350 -10.187 -10.187
257 2HA GLY 37 HA2 GLY 37 -23.817 -11.210 -11.210
258 H ASN 38 HN ASN 38 -20.834 -10.312 -10.312
259 HA ASN 38 HA ASN 38 -21.897 -8.360 -8.360
260 1HB ASN 38 HB2 ASN 38 -19.404 -8.260 -8.260
261 2HB ASN 38 HB3 ASN 38 -20.230 -9.793 -9.793
262 1HD2 ASN 38 HD22 ASN 38 -16.912 -10.449 -10.449
263 2HD2 ASN 38 HD21 ASN 38 -17.543 -9.745 -9.745
264 HA PRO 39 HA PRO 39 -20.532 -4.852 -4.852
265 1HB PRO 39 HB2 PRO 39 -20.178 -2.998 -2.998
266 2HB PRO 39 HB3 PRO 39 -21.750 -3.412 -3.412
267 1HG PRO 39 HG2 PRO 39 -20.559 -4.184 -4.184
268 2HG PRO 39 HG3 PRO 39 -22.241 -4.219 -4.219
269 1HD PRO 39 HD2 PRO 39 -20.466 -6.463 -6.463
270 2HD PRO 39 HD3 PRO 39 -22.113 -6.481 -6.481
271 H ILE 40 HN ILE 40 -18.750 -4.319 -4.319
272 HA ILE 40 HA ILE 40 -16.296 -5.259 -5.259
273 HB ILE 40 HB ILE 40 -17.026 -3.460 -3.460
274 1HG1 ILE 40 HG12 ILE 40 -16.316 -6.400 -6.400
275 2HG1 ILE 40 HG13 ILE 40 -17.880 -5.719 -5.719
276 1HG2 ILE 40 HG22 ILE 40 -14.751 -2.935 -2.935
277 2HG2 ILE 40 HG23 ILE 40 -14.325 -4.662 -4.662
278 3HG2 ILE 40 HG21 ILE 40 -14.753 -3.816 -3.816
279 1HD1 ILE 40 HD12 ILE 40 -16.312 -4.451 -4.451
280 2HD1 ILE 40 HD13 ILE 40 -15.444 -5.995 -5.995
281 3HD1 ILE 40 HD11 ILE 40 -17.161 -5.988 -5.988
282 H LYS 41 HN LYS 41 -16.714 -1.856 -1.856
283 HA LYS 41 HA LYS 41 -16.239 0.071 0.071
284 1HB LYS 41 HB2 LYS 41 -17.594 -0.905 -0.905
285 2HB LYS 41 HB3 LYS 41 -16.075 -1.345 -1.345
286 1HG LYS 41 HG2 LYS 41 -15.368 0.952 0.952
287 2HG LYS 41 HG3 LYS 41 -16.598 1.501 1.501
288 1HD LYS 41 HD2 LYS 41 -17.238 0.232 0.232
289 2HD LYS 41 HD3 LYS 41 -17.094 1.962 1.962
290 1HE LYS 41 HE2 LYS 41 -19.039 0.176 0.176
291 2HE LYS 41 HE3 LYS 41 -19.475 1.109 1.109
292 1HZ LYS 41 HZ2 LYS 41 -18.682 3.085 3.085
293 2HZ LYS 41 HZ3 LYS 41 -18.534 2.158 2.158
294 3HZ LYS 41 HZ1 LYS 41 -20.000 2.376 2.376
295 H ARG 42 HN ARG 42 -14.327 1.105 1.105
296 HA ARG 42 HA ARG 42 -11.980 -0.315 -0.315
297 1HB ARG 42 HB2 ARG 42 -11.067 1.138 1.138
298 2HB ARG 42 HB3 ARG 42 -11.358 -0.589 -0.589
299 1HG ARG 42 HG2 ARG 42 -13.806 -0.079 -0.079
300 2HG ARG 42 HG3 ARG 42 -13.315 1.582 1.582
301 1HD ARG 42 HD2 ARG 42 -11.426 0.413 0.413
302 2HD ARG 42 HD3 ARG 42 -12.601 -0.886 -0.886
303 HE ARG 42 HE ARG 42 -13.812 1.714 1.714
304 1HH1 ARG 42 HH22 ARG 42 -12.025 -0.944 -0.944
305 2HH1 ARG 42 HH21 ARG 42 -12.591 -0.616 -0.616
306 1HH2 ARG 42 HH12 ARG 42 -14.561 2.148 2.148
307 2HH2 ARG 42 HH11 ARG 42 -14.044 1.155 1.155
308 H ILE 43 HN ILE 43 -12.646 1.321 1.321
309 HA ILE 43 HA ILE 43 -12.692 3.974 3.974
310 HB ILE 43 HB ILE 43 -11.929 1.985 1.985
311 1HG1 ILE 43 HG12 ILE 43 -12.953 3.800 3.800
312 2HG1 ILE 43 HG13 ILE 43 -13.275 4.688 4.688
313 1HG2 ILE 43 HG23 ILE 43 -9.737 3.066 3.066
314 2HG2 ILE 43 HG21 ILE 43 -10.503 4.648 4.648
315 3HG2 ILE 43 HG22 ILE 43 -10.587 3.385 3.385
316 1HD1 ILE 43 HD12 ILE 43 -14.080 1.913 1.913
317 2HD1 ILE 43 HD13 ILE 43 -14.830 2.590 2.590
318 3HD1 ILE 43 HD11 ILE 43 -15.071 3.388 3.388
319 H GLN 44 HN GLN 44 -11.251 5.747 5.747
320 HA GLN 44 HA GLN 44 -8.918 5.122 5.122
321 1HB GLN 44 HB2 GLN 44 -10.265 7.736 7.736
322 2HB GLN 44 HB3 GLN 44 -8.767 7.687 7.687
323 1HG GLN 44 HG2 GLN 44 -11.510 6.695 6.695
324 2HG GLN 44 HG3 GLN 44 -10.460 7.825 7.825
325 1HE2 GLN 44 HE22 GLN 44 -9.961 3.740 3.740
326 2HE2 GLN 44 HE21 GLN 44 -10.934 4.468 4.468
327 H TYR 45 HN TYR 45 -6.993 6.913 6.913
328 HA TYR 45 HA TYR 45 -6.555 6.768 6.768
329 1HB TYR 45 HB2 TYR 45 -5.150 5.462 5.462
330 2HB TYR 45 HB3 TYR 45 -4.062 6.308 6.308
331 HD1 TYR 45 HD2 TYR 45 -5.780 5.753 5.753
332 HD2 TYR 45 HD1 TYR 45 -4.309 3.256 3.256
333 HE1 TYR 45 HE2 TYR 45 -5.793 3.754 3.754
334 HE2 TYR 45 HE1 TYR 45 -4.327 1.266 1.266
335 HH TYR 45 HH TYR 45 -4.488 1.556 1.556
336 H GLU 46 HN GLU 46 -7.293 9.111 9.111
337 HA GLU 46 HA GLU 46 -5.617 10.747 10.747
338 1HB GLU 46 HB2 GLU 46 -8.054 11.079 11.079
339 2HB GLU 46 HB3 GLU 46 -7.141 11.845 11.845
340 1HG GLU 46 HG2 GLU 46 -6.190 13.477 13.477
341 2HG GLU 46 HG3 GLU 46 -6.717 12.587 12.587
342 H ILE 47 HN ILE 47 -3.532 9.695 9.695
343 HA ILE 47 HA ILE 47 -2.731 10.267 10.267
344 HB ILE 47 HB ILE 47 -0.496 9.656 9.656
345 1HG1 ILE 47 HG12 ILE 47 -1.808 9.989 9.989
346 2HG1 ILE 47 HG13 ILE 47 -0.219 10.493 10.493
347 1HG2 ILE 47 HG22 ILE 47 -2.843 8.056 8.056
348 2HG2 ILE 47 HG23 ILE 47 -1.828 7.482 7.482
349 3HG2 ILE 47 HG21 ILE 47 -1.157 7.572 7.572
350 1HD1 ILE 47 HD11 ILE 47 -0.035 7.747 7.747
351 2HD1 ILE 47 HD12 ILE 47 -1.092 7.897 7.897
352 3HD1 ILE 47 HD13 ILE 47 0.518 8.655 8.655
353 H LYS 48 HN LYS 48 -0.237 11.495 11.495
354 HA LYS 48 HA LYS 48 -0.893 14.148 14.148
355 1HB LYS 48 HB2 LYS 48 -1.119 13.703 13.703
356 2HB LYS 48 HB3 LYS 48 0.624 13.886 13.886
357 1HG LYS 48 HG2 LYS 48 0.484 16.113 16.113
358 2HG LYS 48 HG3 LYS 48 -1.203 15.917 15.917
359 1HD LYS 48 HD2 LYS 48 -0.566 17.265 17.265
360 2HD LYS 48 HD3 LYS 48 -1.957 16.198 16.198
361 1HE LYS 48 HE2 LYS 48 -0.679 14.420 14.420
362 2HE LYS 48 HE3 LYS 48 0.826 15.293 15.293
363 1HZ LYS 48 HZ2 LYS 48 -1.324 16.596 16.596
364 2HZ LYS 48 HZ3 LYS 48 -0.472 15.428 15.428
365 3HZ LYS 48 HZ1 LYS 48 0.291 16.752 16.752
366 H GLN 49 HN GLN 49 1.003 11.463 11.463
367 HA GLN 49 HA GLN 49 3.012 11.029 11.029
368 1HB GLN 49 HB2 GLN 49 2.651 11.875 11.875
369 2HB GLN 49 HB3 GLN 49 2.133 13.438 13.438
370 1HG GLN 49 HG2 GLN 49 4.257 13.679 13.679
371 2HG GLN 49 HG3 GLN 49 4.501 14.057 14.057
372 1HE2 GLN 49 HE22 GLN 49 5.737 10.317 10.317
373 2HE2 GLN 49 HE21 GLN 49 4.238 11.017 11.017
374 H ILE 50 HN ILE 50 4.771 10.920 10.920
375 HA ILE 50 HA ILE 50 5.861 13.477 13.477
376 HB ILE 50 HB ILE 50 5.745 12.846 12.846
377 1HG1 ILE 50 HG12 ILE 50 6.940 10.275 10.275
378 2HG1 ILE 50 HG13 ILE 50 7.630 11.486 11.486
379 1HG2 ILE 50 HG22 ILE 50 3.537 11.990 11.990
380 2HG2 ILE 50 HG23 ILE 50 4.197 10.373 10.373
381 3HG2 ILE 50 HG21 ILE 50 3.939 11.529 11.529
382 1HD1 ILE 50 HD13 ILE 50 5.700 10.835 10.835
383 2HD1 ILE 50 HD11 ILE 50 5.551 9.375 9.375
384 3HD1 ILE 50 HD12 ILE 50 7.082 9.728 9.728
385 H LYS 51 HN LYS 51 6.347 10.206 10.206
386 HA LYS 51 HA LYS 51 9.031 11.006 11.006
387 1HB LYS 51 HB2 LYS 51 8.601 9.354 9.354
388 2HB LYS 51 HB3 LYS 51 9.136 8.286 8.286
389 1HG LYS 51 HG2 LYS 51 10.835 10.466 10.466
390 2HG LYS 51 HG3 LYS 51 10.625 10.431 10.431
391 1HD LYS 51 HD2 LYS 51 11.673 8.369 8.369
392 2HD LYS 51 HD3 LYS 51 11.125 7.785 7.785
393 1HE LYS 51 HE2 LYS 51 12.814 9.031 9.031
394 2HE LYS 51 HE3 LYS 51 13.179 10.023 10.023
395 1HZ LYS 51 HZ3 LYS 51 13.714 7.703 7.703
396 2HZ LYS 51 HZ1 LYS 51 13.953 7.287 7.287
397 3HZ LYS 51 HZ2 LYS 51 14.822 8.501 8.501
398 H MET 52 HN MET 52 9.965 9.327 9.327
399 HA MET 52 HA MET 52 7.881 7.809 7.809
400 1HB MET 52 HB2 MET 52 7.753 9.965 9.965
401 2HB MET 52 HB3 MET 52 9.499 10.072 10.072
402 1HG MET 52 HG2 MET 52 8.955 7.624 7.624
403 2HG MET 52 HG3 MET 52 7.586 8.607 8.607
404 1HE MET 52 HE3 MET 52 10.843 7.477 7.477
405 2HE MET 52 HE1 MET 52 11.621 8.511 8.511
406 3HE MET 52 HE2 MET 52 11.781 8.904 8.904
407 H PHE 53 HN PHE 53 9.356 6.161 6.161
408 HA PHE 53 HA PHE 53 11.973 5.783 5.783
409 1HB PHE 53 HB2 PHE 53 9.506 4.130 4.130
410 2HB PHE 53 HB3 PHE 53 10.820 3.233 3.233
411 HD1 PHE 53 HD2 PHE 53 13.190 4.259 4.259
412 HD2 PHE 53 HD1 PHE 53 9.348 3.456 3.456
413 HE1 PHE 53 HE2 PHE 53 14.214 3.906 3.906
414 HE2 PHE 53 HE1 PHE 53 10.371 3.102 3.102
415 HZ PHE 53 HZ PHE 53 12.792 3.331 3.331
416 H LYS 54 HN LYS 54 9.693 3.776 3.776
417 HA LYS 54 HA LYS 54 11.300 4.463 4.463
418 1HB LYS 54 HB2 LYS 54 12.094 2.321 2.321
419 2HB LYS 54 HB3 LYS 54 10.466 1.714 1.714
420 1HG LYS 54 HG2 LYS 54 11.330 0.852 0.852
421 2HG LYS 54 HG3 LYS 54 10.043 1.989 1.989
422 1HD LYS 54 HD2 LYS 54 12.713 3.268 3.268
423 2HD LYS 54 HD3 LYS 54 12.609 2.064 2.064
424 1HE LYS 54 HE2 LYS 54 10.593 3.183 3.183
425 2HE LYS 54 HE3 LYS 54 10.619 4.355 4.355
426 1HZ LYS 54 HZ1 LYS 54 12.982 4.010 4.010
427 2HZ LYS 54 HZ2 LYS 54 11.735 4.916 4.916
428 3HZ LYS 54 HZ3 LYS 54 12.505 5.324 5.324
429 H GLY 55 HN GLY 55 9.515 6.076 6.076
430 1HA GLY 55 HA1 GLY 55 7.176 4.773 4.773
431 2HA GLY 55 HA2 GLY 55 7.006 6.141 6.141
432 HA PRO 56 HA PRO 56 7.524 7.851 7.851
433 1HB PRO 56 HB2 PRO 56 5.279 9.408 9.408
434 2HB PRO 56 HB3 PRO 56 5.332 7.786 7.786
435 1HG PRO 56 HG2 PRO 56 4.105 8.722 8.722
436 2HG PRO 56 HG3 PRO 56 3.812 7.232 7.232
437 1HD PRO 56 HD2 PRO 56 5.376 7.542 7.542
438 2HD PRO 56 HD3 PRO 56 5.179 6.077 6.077
439 H GLU 57 HN GLU 57 7.459 10.280 10.280
440 HA GLU 57 HA GLU 57 9.148 11.530 11.530
441 1HB GLU 57 HB2 GLU 57 7.997 13.047 13.047
442 2HB GLU 57 HB3 GLU 57 9.634 13.048 13.048
443 1HG GLU 57 HG2 GLU 57 9.698 10.537 10.537
444 2HG GLU 57 HG3 GLU 57 8.288 10.955 10.955
445 H LYS 58 HN LYS 58 5.728 11.819 11.819
446 HA LYS 58 HA LYS 58 5.320 14.254 14.254
447 1HB LYS 58 HB2 LYS 58 4.041 13.626 13.626
448 2HB LYS 58 HB3 LYS 58 3.322 12.287 12.287
449 1HG LYS 58 HG2 LYS 58 1.684 13.766 13.766
450 2HG LYS 58 HG3 LYS 58 2.836 14.381 14.381
451 1HD LYS 58 HD2 LYS 58 2.758 15.409 15.409
452 2HD LYS 58 HD3 LYS 58 1.747 16.099 16.099
453 1HE LYS 58 HE2 LYS 58 4.311 15.989 15.989
454 2HE LYS 58 HE3 LYS 58 4.626 16.467 16.467
455 1HZ LYS 58 HZ2 LYS 58 2.584 17.765 17.765
456 2HZ LYS 58 HZ3 LYS 58 4.124 18.300 18.300
457 3HZ LYS 58 HZ1 LYS 58 3.179 18.286 18.286
458 H ASP 59 HN ASP 59 3.320 11.314 11.314
459 HA ASP 59 HA ASP 59 4.116 10.253 10.253
460 1HB ASP 59 HB2 ASP 59 4.451 12.207 12.207
461 2HB ASP 59 HB3 ASP 59 3.031 13.003 13.003
462 H ILE 60 HN ILE 60 2.175 9.401 9.401
463 HA ILE 60 HA ILE 60 -0.289 9.500 9.500
464 HB ILE 60 HB ILE 60 0.445 7.099 7.099
465 1HG1 ILE 60 HG12 ILE 60 2.372 7.919 7.919
466 2HG1 ILE 60 HG13 ILE 60 1.946 6.224 6.224
467 1HG2 ILE 60 HG22 ILE 60 -1.704 7.821 7.821
468 2HG2 ILE 60 HG23 ILE 60 -0.749 6.709 6.709
469 3HG2 ILE 60 HG21 ILE 60 -1.312 6.191 6.191
470 1HD1 ILE 60 HD11 ILE 60 0.462 7.883 7.883
471 2HD1 ILE 60 HD12 ILE 60 2.144 7.421 7.421
472 3HD1 ILE 60 HD13 ILE 60 0.918 6.164 6.164
473 H GLU 61 HN GLU 61 -0.823 11.379 11.379
474 HA GLU 61 HA GLU 61 -1.017 10.994 10.994
475 1HB GLU 61 HB2 GLU 61 -1.368 13.134 13.134
476 2HB GLU 61 HB3 GLU 61 -2.815 13.061 13.061
477 1HG GLU 61 HG2 GLU 61 -0.824 12.724 12.724
478 2HG GLU 61 HG3 GLU 61 -0.041 13.802 13.802
479 H PHE 62 HN PHE 62 -2.744 9.608 9.608
480 HA PHE 62 HA PHE 62 -5.018 9.147 9.147
481 1HB PHE 62 HB2 PHE 62 -4.843 10.220 10.220
482 2HB PHE 62 HB3 PHE 62 -6.108 9.039 9.039
483 HD1 PHE 62 HD1 PHE 62 -7.906 9.519 9.519
484 HD2 PHE 62 HD2 PHE 62 -5.021 12.442 12.442
485 HE1 PHE 62 HE1 PHE 62 -9.381 11.320 11.320
486 HE2 PHE 62 HE2 PHE 62 -6.497 14.243 14.243
487 HZ PHE 62 HZ PHE 62 -8.659 13.660 13.660
488 H ILE 63 HN ILE 63 -4.244 7.068 7.068
489 HA ILE 63 HA ILE 63 -3.729 5.240 5.240
490 HB ILE 63 HB ILE 63 -3.432 4.564 4.564
491 1HG1 ILE 63 HG12 ILE 63 -2.219 6.826 6.826
492 2HG1 ILE 63 HG13 ILE 63 -1.786 6.007 6.007
493 1HG2 ILE 63 HG21 ILE 63 -2.151 3.665 3.665
494 2HG2 ILE 63 HG22 ILE 63 -1.479 3.267 3.267
495 3HG2 ILE 63 HG23 ILE 63 -3.113 2.714 2.714
496 1HD1 ILE 63 HD12 ILE 63 -0.724 5.136 5.136
497 2HD1 ILE 63 HD13 ILE 63 0.119 6.302 6.302
498 3HD1 ILE 63 HD11 ILE 63 -0.141 4.631 4.631
499 H TYR 64 HN TYR 64 -4.648 2.929 2.929
500 HA TYR 64 HA TYR 64 -7.439 3.224 3.224
501 1HB TYR 64 HB2 TYR 64 -5.983 1.887 1.887
502 2HB TYR 64 HB3 TYR 64 -7.497 1.186 1.186
503 HD1 TYR 64 HD1 TYR 64 -6.017 4.432 4.432
504 HD2 TYR 64 HD2 TYR 64 -9.528 2.005 2.005
505 HE1 TYR 64 HE1 TYR 64 -7.302 6.100 6.100
506 HE2 TYR 64 HE2 TYR 64 -10.801 3.681 3.681
507 HH TYR 64 HH TYR 64 -9.851 6.720 6.720
508 H THR 65 HN THR 65 -8.396 1.482 1.482
509 HA THR 65 HA THR 65 -6.967 -0.945 -0.945
510 HB THR 65 HB THR 65 -5.649 0.615 0.615
511 HG1 THR 65 HG1 THR 65 -6.274 -1.655 -1.655
512 1HG2 THR 65 HG22 THR 65 -8.418 1.340 1.340
513 2HG2 THR 65 HG23 THR 65 -7.202 1.123 1.123
514 3HG2 THR 65 HG21 THR 65 -6.937 2.327 2.327
515 H ALA 66 HN ALA 66 -8.155 -1.867 -1.867
516 HA ALA 66 HA ALA 66 -10.964 -1.801 -1.801
517 1HB ALA 66 HB2 ALA 66 -9.086 -3.863 -3.863
518 2HB ALA 66 HB3 ALA 66 -10.507 -3.870 -3.870
519 3HB ALA 66 HB1 ALA 66 -10.718 -4.032 -4.032
520 HA PRO 67 HA PRO 67 -12.001 0.178 0.178
521 1HB PRO 67 HB2 PRO 67 -14.637 -0.500 -0.500
522 2HB PRO 67 HB3 PRO 67 -14.069 0.778 0.778
523 1HG PRO 67 HG2 PRO 67 -14.997 -1.937 -1.937
524 2HG PRO 67 HG3 PRO 67 -14.835 -0.528 -0.528
525 1HD PRO 67 HD2 PRO 67 -13.061 -2.779 -2.779
526 2HD PRO 67 HD3 PRO 67 -12.839 -1.319 -1.319
527 H SER 68 HN SER 68 -13.914 -0.566 -0.566
528 HA SER 68 HA SER 68 -14.050 -1.717 -1.717
529 1HB SER 68 HB2 SER 68 -13.707 -3.705 -3.705
530 2HB SER 68 HB3 SER 68 -12.747 -4.225 -4.225
531 HG SER 68 HG SER 68 -14.527 -4.590 -4.590
532 H SER 69 HN SER 69 -12.273 -3.775 -3.775
533 HA SER 69 HA SER 69 -10.182 -2.015 -2.015
534 1HB SER 69 HB2 SER 69 -11.365 -3.464 -3.464
535 2HB SER 69 HB3 SER 69 -10.810 -4.896 -4.896
536 HG SER 69 HG SER 69 -9.571 -3.981 -3.981
537 H ALA 70 HN ALA 70 -10.182 -2.906 -2.906
538 HA ALA 70 HA ALA 70 -8.492 -3.282 -3.282
539 1HB ALA 70 HB1 ALA 70 -7.060 -3.090 -3.090
540 2HB ALA 70 HB2 ALA 70 -6.719 -4.772 -4.772
541 3HB ALA 70 HB3 ALA 70 -6.344 -3.442 -3.442
542 H VAL 71 HN VAL 71 -9.951 -4.692 -4.692
543 HA VAL 71 HA VAL 71 -9.857 -7.485 -7.485
544 HB VAL 71 HB VAL 71 -11.926 -7.710 -7.710
545 1HG1 VAL 71 HG11 VAL 71 -11.850 -5.616 -5.616
546 2HG1 VAL 71 HG12 VAL 71 -12.044 -4.689 -4.689
547 3HG1 VAL 71 HG13 VAL 71 -13.295 -5.855 -5.855
548 1HG2 VAL 71 HG22 VAL 71 -11.144 -5.751 -5.751
549 2HG2 VAL 71 HG23 VAL 71 -11.384 -7.509 -7.509
550 3HG2 VAL 71 HG21 VAL 71 -12.776 -6.442 -6.442
551 H CYS 72 HN CYS 72 -9.187 -5.269 -5.269
552 HA CYS 72 HA CYS 72 -7.664 -7.473 -7.473
553 1HB CYS 72 HB2 CYS 72 -9.342 -5.394 -5.394
554 2HB CYS 72 HB3 CYS 72 -8.166 -6.410 -6.410
555 H GLY 73 HN GLY 73 -7.155 -5.080 -5.080
556 1HA GLY 73 HA1 GLY 73 -4.722 -4.192 -4.192
557 2HA GLY 73 HA2 GLY 73 -5.905 -2.936 -2.936
558 H VAL 74 HN VAL 74 -4.279 -1.981 -1.981
559 HA VAL 74 HA VAL 74 -4.128 -3.449 -3.449
560 HB VAL 74 HB VAL 74 -2.280 -1.450 -1.450
561 1HG1 VAL 74 HG13 VAL 74 -2.262 -2.490 -2.490
562 2HG1 VAL 74 HG11 VAL 74 -0.873 -1.699 -1.699
563 3HG1 VAL 74 HG12 VAL 74 -2.389 -0.800 -0.800
564 1HG2 VAL 74 HG23 VAL 74 -2.300 -4.054 -4.054
565 2HG2 VAL 74 HG21 VAL 74 -0.767 -3.172 -3.172
566 3HG2 VAL 74 HG22 VAL 74 -1.442 -4.108 -4.108
567 H SER 75 HN SER 75 -5.874 -1.117 -1.117
568 HA SER 75 HA SER 75 -6.801 0.816 0.816
569 1HB SER 75 HB2 SER 75 -8.666 0.043 0.043
570 2HB SER 75 HB3 SER 75 -7.792 -1.400 -1.400
571 HG SER 75 HG SER 75 -7.725 -0.710 -0.710
572 H LEU 76 HN LEU 76 -5.021 2.273 2.273
573 HA LEU 76 HA LEU 76 -4.183 2.546 2.546
574 1HB LEU 76 HB2 LEU 76 -2.727 3.969 3.969
575 2HB LEU 76 HB3 LEU 76 -2.133 3.180 3.180
576 HG LEU 76 HG LEU 76 -2.999 1.033 1.033
577 1HD1 LEU 76 HD12 LEU 76 -3.075 3.068 3.068
578 2HD1 LEU 76 HD13 LEU 76 -1.453 2.380 2.380
579 3HD1 LEU 76 HD11 LEU 76 -2.890 1.337 1.337
580 1HD2 LEU 76 HD21 LEU 76 -0.578 2.071 2.071
581 2HD2 LEU 76 HD22 LEU 76 -0.933 0.406 0.406
582 3HD2 LEU 76 HD23 LEU 76 -0.256 1.575 1.575
583 H ASP 77 HN ASP 77 -4.517 4.459 4.459
584 HA ASP 77 HA ASP 77 -5.931 6.497 6.497
585 1HB ASP 77 HB2 ASP 77 -6.968 7.023 7.023
586 2HB ASP 77 HB3 ASP 77 -7.612 5.686 5.686
587 H VAL 78 HN VAL 78 -3.082 5.681 5.681
588 HA VAL 78 HA VAL 78 -1.339 6.839 6.839
589 HB VAL 78 HB VAL 78 -3.068 9.035 9.035
590 1HG1 VAL 78 HG11 VAL 78 -0.737 9.380 9.380
591 2HG1 VAL 78 HG12 VAL 78 -0.968 10.536 10.536
592 3HG1 VAL 78 HG13 VAL 78 -2.250 10.312 10.312
593 1HG2 VAL 78 HG22 VAL 78 -1.485 7.464 7.464
594 2HG2 VAL 78 HG23 VAL 78 -1.457 9.211 9.211
595 3HG2 VAL 78 HG21 VAL 78 -0.182 8.479 8.479
596 H GLY 79 HN GLY 79 -4.353 8.551 8.551
597 1HA GLY 79 HA1 GLY 79 -3.511 9.430 9.430
598 2HA GLY 79 HA2 GLY 79 -5.145 8.915 8.915
599 H GLY 80 HN GLY 80 -3.757 6.125 6.125
600 1HA GLY 80 HA1 GLY 80 -3.735 5.181 5.181
601 2HA GLY 80 HA2 GLY 80 -4.342 4.267 4.267
602 H LYS 81 HN LYS 81 -2.141 5.170 5.170
603 HA LYS 81 HA LYS 81 -0.052 3.447 3.447
604 1HB LYS 81 HB2 LYS 81 0.289 3.840 3.840
605 2HB LYS 81 HB3 LYS 81 -0.093 2.365 2.365
606 1HG LYS 81 HG2 LYS 81 -2.176 4.446 4.446
607 2HG LYS 81 HG3 LYS 81 -1.805 3.018 3.018
608 1HD LYS 81 HD2 LYS 81 -2.836 1.575 1.575
609 2HD LYS 81 HD3 LYS 81 -2.411 2.542 2.542
610 1HE LYS 81 HE2 LYS 81 -4.586 3.228 3.228
611 2HE LYS 81 HE3 LYS 81 -4.132 4.251 4.251
612 1HZ LYS 81 HZ3 LYS 81 -4.547 1.877 1.877
613 2HZ LYS 81 HZ1 LYS 81 -5.688 1.870 1.870
614 3HZ LYS 81 HZ2 LYS 81 -5.644 3.084 3.084
615 H LYS 82 HN LYS 82 0.341 5.631 5.631
616 HA LYS 82 HA LYS 82 1.208 7.920 7.920
617 1HB LYS 82 HB2 LYS 82 3.720 7.568 7.568
618 2HB LYS 82 HB3 LYS 82 2.701 7.012 7.012
619 1HG LYS 82 HG2 LYS 82 2.800 4.790 4.790
620 2HG LYS 82 HG3 LYS 82 4.418 5.453 5.453
621 1HD LYS 82 HD2 LYS 82 4.940 4.597 4.597
622 2HD LYS 82 HD3 LYS 82 3.664 5.538 5.538
623 1HE LYS 82 HE2 LYS 82 2.102 3.782 3.782
624 2HE LYS 82 HE3 LYS 82 2.886 3.027 3.027
625 1HZ LYS 82 HZ1 LYS 82 4.187 3.166 3.166
626 2HZ LYS 82 HZ2 LYS 82 3.185 1.941 1.941
627 3HZ LYS 82 HZ3 LYS 82 4.553 2.187 2.187
628 H GLU 83 HN GLU 83 2.846 5.331 5.331
629 HA GLU 83 HA GLU 83 2.097 6.582 6.582
630 1HB GLU 83 HB2 GLU 83 4.865 6.777 6.777
631 2HB GLU 83 HB3 GLU 83 3.745 8.113 8.113
632 1HG GLU 83 HG2 GLU 83 4.649 6.825 6.825
633 2HG GLU 83 HG3 GLU 83 5.882 7.694 7.694
634 H TYR 84 HN TYR 84 3.301 5.459 5.459
635 HA TYR 84 HA TYR 84 4.497 2.924 2.924
636 1HB TYR 84 HB2 TYR 84 2.685 1.749 1.749
637 2HB TYR 84 HB3 TYR 84 2.052 2.460 2.460
638 HD1 TYR 84 HD2 TYR 84 2.707 3.589 3.589
639 HD2 TYR 84 HD1 TYR 84 0.006 3.515 3.515
640 HE1 TYR 84 HE2 TYR 84 0.993 4.887 4.887
641 HE2 TYR 84 HE1 TYR 84 -1.699 4.814 4.814
642 HH TYR 84 HH TYR 84 -1.401 5.203 5.203
643 H LEU 85 HN LEU 85 5.496 1.868 1.868
644 HA LEU 85 HA LEU 85 6.236 3.798 3.798
645 1HB LEU 85 HB2 LEU 85 7.831 2.031 2.031
646 2HB LEU 85 HB3 LEU 85 8.008 2.583 2.583
647 HG LEU 85 HG LEU 85 8.148 0.033 0.033
648 1HD1 LEU 85 HD13 LEU 85 7.854 1.436 1.436
649 2HD1 LEU 85 HD11 LEU 85 6.455 0.338 0.338
650 3HD1 LEU 85 HD12 LEU 85 8.098 -0.324 -0.324
651 1HD2 LEU 85 HD22 LEU 85 5.156 0.414 0.414
652 2HD2 LEU 85 HD23 LEU 85 6.021 -0.132 -0.132
653 3HD2 LEU 85 HD21 LEU 85 6.008 -1.148 -1.148
654 H ILE 86 HN ILE 86 3.568 1.933 1.933
655 HA ILE 86 HA ILE 86 2.536 0.421 0.421
656 HB ILE 86 HB ILE 86 2.015 3.254 3.254
657 1HG1 ILE 86 HG12 ILE 86 -0.248 2.555 2.555
658 2HG1 ILE 86 HG13 ILE 86 0.075 0.963 0.963
659 1HG2 ILE 86 HG23 ILE 86 1.627 1.737 1.737
660 2HG2 ILE 86 HG21 ILE 86 0.452 2.982 2.982
661 3HG2 ILE 86 HG22 ILE 86 2.165 3.412 3.412
662 1HD1 ILE 86 HD13 ILE 86 1.883 1.526 1.526
663 2HD1 ILE 86 HD11 ILE 86 0.183 1.722 1.722
664 3HD1 ILE 86 HD12 ILE 86 0.736 0.181 0.181
665 H ALA 87 HN ALA 87 3.703 -0.963 -0.963
666 HA ALA 87 HA ALA 87 4.615 0.170 0.170
667 1HB ALA 87 HB1 ALA 87 6.109 -1.316 -1.316
668 2HB ALA 87 HB2 ALA 87 6.315 -1.941 -1.941
669 3HB ALA 87 HB3 ALA 87 6.704 -0.243 -0.243
670 H GLY 88 HN GLY 88 3.248 -0.621 -0.621
671 1HA GLY 88 HA1 GLY 88 2.742 -3.510 -3.510
672 2HA GLY 88 HA2 GLY 88 1.367 -2.425 -2.425
673 H LYS 89 HN LYS 89 1.561 -4.106 -4.106
674 HA LYS 89 HA LYS 89 3.083 -3.520 -3.520
675 1HB LYS 89 HB2 LYS 89 1.225 -4.319 -4.319
676 2HB LYS 89 HB3 LYS 89 1.444 -5.313 -5.313
677 1HG LYS 89 HG2 LYS 89 -0.356 -3.279 -3.279
678 2HG LYS 89 HG3 LYS 89 -0.878 -3.710 -3.710
679 1HD LYS 89 HD2 LYS 89 -1.366 -5.931 -5.931
680 2HD LYS 89 HD3 LYS 89 -0.213 -5.950 -5.950
681 1HE LYS 89 HE2 LYS 89 -2.021 -5.649 -5.649
682 2HE LYS 89 HE3 LYS 89 -1.972 -3.975 -3.975
683 1HZ LYS 89 HZ3 LYS 89 -3.338 -5.823 -5.823
684 2HZ LYS 89 HZ1 LYS 89 -4.072 -5.488 -5.488
685 3HZ LYS 89 HZ2 LYS 89 -3.712 -4.280 -4.280
686 H ALA 90 HN ALA 90 0.541 -1.508 -1.508
687 HA ALA 90 HA ALA 90 0.279 0.711 0.711
688 1HB ALA 90 HB1 ALA 90 2.686 0.618 0.618
689 2HB ALA 90 HB2 ALA 90 1.856 0.716 0.716
690 3HB ALA 90 HB3 ALA 90 1.653 2.019 2.019
691 H GLU 91 HN GLU 91 -0.648 2.249 2.249
692 HA GLU 91 HA GLU 91 -2.263 0.555 0.555
693 1HB GLU 91 HB2 GLU 91 -3.434 1.298 1.298
694 2HB GLU 91 HB3 GLU 91 -3.579 2.856 2.856
695 1HG GLU 91 HG2 GLU 91 -5.596 1.431 1.431
696 2HG GLU 91 HG3 GLU 91 -4.812 1.861 1.861
697 H GLY 92 HN GLY 92 -0.099 3.051 3.051
698 1HA GLY 92 HA1 GLY 92 0.355 3.959 3.959
699 2HA GLY 92 HA2 GLY 92 -1.243 4.663 4.663
700 H ASP 93 HN ASP 93 -1.141 6.804 6.804
701 HA ASP 93 HA ASP 93 0.853 7.551 7.551
702 1HB ASP 93 HB2 ASP 93 0.007 8.934 8.934
703 2HB ASP 93 HB3 ASP 93 0.680 9.870 9.870
704 H GLY 94 HN GLY 94 0.124 9.233 9.233
705 1HA GLY 94 HA1 GLY 94 -1.354 10.515 10.515
706 2HA GLY 94 HA2 GLY 94 -2.411 10.507 10.507
707 H LYS 95 HN LYS 95 -1.718 7.280 7.280
708 HA LYS 95 HA LYS 95 -3.162 6.620 6.620
709 1HB LYS 95 HB2 LYS 95 -5.350 6.300 6.300
710 2HB LYS 95 HB3 LYS 95 -4.970 7.763 7.763
711 1HG LYS 95 HG2 LYS 95 -4.729 4.962 4.962
712 2HG LYS 95 HG3 LYS 95 -6.163 5.958 5.958
713 1HD LYS 95 HD2 LYS 95 -3.363 6.695 6.695
714 2HD LYS 95 HD3 LYS 95 -4.698 6.186 6.186
715 1HE LYS 95 HE2 LYS 95 -4.528 8.738 8.738
716 2HE LYS 95 HE3 LYS 95 -4.565 8.620 8.620
717 1HZ LYS 95 HZ3 LYS 95 -6.783 7.563 7.563
718 2HZ LYS 95 HZ1 LYS 95 -6.738 7.979 7.979
719 3HZ LYS 95 HZ2 LYS 95 -6.718 9.138 9.138
720 H MET 96 HN MET 96 -2.904 4.434 4.434
721 HA MET 96 HA MET 96 -2.057 2.839 2.839
722 1HB MET 96 HB2 MET 96 -0.674 1.995 1.995
723 2HB MET 96 HB3 MET 96 0.030 2.565 2.565
724 1HG MET 96 HG2 MET 96 -0.372 4.951 4.951
725 2HG MET 96 HG3 MET 96 -0.938 4.319 4.319
726 1HE MET 96 HE2 MET 96 0.067 3.335 3.335
727 2HE MET 96 HE3 MET 96 1.692 2.611 2.611
728 3HE MET 96 HE1 MET 96 1.460 4.321 4.321
729 H HIS 97 HN HIS 97 -1.478 0.482 0.482
730 HA HIS 97 HA HIS 97 -4.083 -0.007 -0.007
731 1HB HIS 97 HB2 HIS 97 -3.008 -1.215 -1.215
732 2HB HIS 97 HB3 HIS 97 -3.394 -2.419 -2.419
733 HD1 HIS 97 HD1 HIS 97 -5.379 -3.228 -3.228
734 HD2 HIS 97 HD2 HIS 97 -5.754 0.682 0.682
735 HE1 HIS 97 HE1 HIS 97 -7.804 -2.543 -2.543
736 H ILE 98 HN ILE 98 -3.872 -0.835 -0.835
737 HA ILE 98 HA ILE 98 -1.514 -2.458 -2.458
738 HB ILE 98 HB ILE 98 -0.939 -1.245 -1.245
739 1HG1 ILE 98 HG12 ILE 98 -3.496 0.244 0.244
740 2HG1 ILE 98 HG13 ILE 98 -2.904 -0.485 -0.485
741 1HG2 ILE 98 HG22 ILE 98 -0.385 -0.393 -0.393
742 2HG2 ILE 98 HG23 ILE 98 -1.243 1.048 1.048
743 3HG2 ILE 98 HG21 ILE 98 0.192 0.444 0.444
744 1HD1 ILE 98 HD13 ILE 98 -1.060 1.582 1.582
745 2HD1 ILE 98 HD11 ILE 98 -2.701 2.224 2.224
746 3HD1 ILE 98 HD12 ILE 98 -1.840 1.422 1.422
747 H THR 99 HN THR 99 -1.972 -4.215 -4.215
748 HA THR 99 HA THR 99 -4.542 -4.193 -4.193
749 HB THR 99 HB THR 99 -4.655 -6.677 -6.677
750 HG1 THR 99 HG1 THR 99 -3.072 -5.231 -5.231
751 1HG2 THR 99 HG22 THR 99 -5.358 -4.108 -4.108
752 2HG2 THR 99 HG23 THR 99 -5.261 -5.525 -5.525
753 3HG2 THR 99 HG21 THR 99 -6.376 -5.533 -5.533
754 H LEU 100 HN LEU 100 -4.685 -6.170 -6.170
755 HA LEU 100 HA LEU 100 -2.459 -5.999 -5.999
756 1HB LEU 100 HB2 LEU 100 -3.745 -7.112 -7.112
757 2HB LEU 100 HB3 LEU 100 -4.984 -6.455 -6.455
758 HG LEU 100 HG LEU 100 -4.002 -9.166 -9.166
759 1HD1 LEU 100 HD13 LEU 100 -5.415 -8.572 -8.572
760 2HD1 LEU 100 HD11 LEU 100 -5.632 -10.123 -10.123
761 3HD1 LEU 100 HD12 LEU 100 -4.011 -9.622 -9.622
762 1HD2 LEU 100 HD21 LEU 100 -6.637 -7.707 -7.707
763 2HD2 LEU 100 HD22 LEU 100 -5.740 -8.383 -8.383
764 3HD2 LEU 100 HD23 LEU 100 -6.548 -9.470 -9.470
765 H CYS 101 HN CYS 101 -3.314 -8.077 -8.077
766 HA CYS 101 HA CYS 101 -1.491 -10.142 -10.142
767 1HB CYS 101 HB2 CYS 101 -2.273 -10.163 -10.163
768 2HB CYS 101 HB3 CYS 101 -2.500 -11.373 -11.373
769 H ASP 102 HN ASP 102 -1.462 -7.065 -7.065
770 HA ASP 102 HA ASP 102 0.913 -7.697 -7.697
771 1HB ASP 102 HB2 ASP 102 -1.083 -6.009 -6.009
772 2HB ASP 102 HB3 ASP 102 -0.144 -4.891 -4.891
773 H PHE 103 HN PHE 103 2.793 -5.924 -5.924
774 HA PHE 103 HA PHE 103 3.688 -6.048 -6.048
775 1HB PHE 103 HB2 PHE 103 5.283 -6.107 -6.107
776 2HB PHE 103 HB3 PHE 103 4.533 -4.739 -4.739
777 HD1 PHE 103 HD2 PHE 103 5.097 -4.527 -4.527
778 HD2 PHE 103 HD1 PHE 103 6.762 -3.717 -3.717
779 HE1 PHE 103 HE2 PHE 103 6.778 -2.991 -2.991
780 HE2 PHE 103 HE1 PHE 103 8.442 -2.181 -2.181
781 HZ PHE 103 HZ PHE 103 8.430 -1.838 -1.838
782 H ILE 104 HN ILE 104 3.167 -4.715 -4.715
783 HA ILE 104 HA ILE 104 3.141 -1.906 -1.906
784 HB ILE 104 HB ILE 104 0.699 -1.755 -1.755
785 1HG1 ILE 104 HG12 ILE 104 0.534 -4.371 -4.371
786 2HG1 ILE 104 HG13 ILE 104 0.432 -4.231 -4.231
787 1HG2 ILE 104 HG23 ILE 104 1.913 -1.294 -1.294
788 2HG2 ILE 104 HG21 ILE 104 0.608 -2.410 -2.410
789 3HG2 ILE 104 HG22 ILE 104 0.221 -0.897 -0.897
790 1HD1 ILE 104 HD11 ILE 104 -1.493 -2.546 -2.546
791 2HD1 ILE 104 HD12 ILE 104 -1.487 -3.112 -3.112
792 3HD1 ILE 104 HD13 ILE 104 -1.835 -4.254 -4.254
793 H VAL 105 HN VAL 105 3.639 -0.936 -0.936
794 HA VAL 105 HA VAL 105 2.977 -2.278 -2.278
795 HB VAL 105 HB VAL 105 5.673 -1.829 -1.829
796 1HG1 VAL 105 HG12 VAL 105 3.883 -4.184 -4.184
797 2HG1 VAL 105 HG13 VAL 105 5.631 -4.503 -4.503
798 3HG1 VAL 105 HG11 VAL 105 4.946 -3.707 -3.707
799 1HG2 VAL 105 HG22 VAL 105 5.252 -3.062 -3.062
800 2HG2 VAL 105 HG23 VAL 105 6.163 -1.585 -1.585
801 3HG2 VAL 105 HG21 VAL 105 6.768 -3.173 -3.173
802 HA PRO 106 HA PRO 106 3.025 1.838 1.838
803 1HB PRO 106 HB2 PRO 106 3.402 1.604 1.604
804 2HB PRO 106 HB3 PRO 106 1.855 1.336 1.336
805 1HG PRO 106 HG2 PRO 106 3.752 -0.654 -0.654
806 2HG PRO 106 HG3 PRO 106 2.054 -0.852 -0.852
807 1HD PRO 106 HD2 PRO 106 4.283 -1.778 -1.778
808 2HD PRO 106 HD3 PRO 106 2.589 -1.874 -1.874
809 H TRP 107 HN TRP 107 5.720 0.239 0.239
810 HA TRP 107 HA TRP 107 7.815 0.942 0.942
811 1HB TRP 107 HB2 TRP 107 6.731 3.174 3.174
812 2HB TRP 107 HB3 TRP 107 7.041 3.619 3.619
813 HD1 TRP 107 HD1 TRP 107 9.463 1.867 1.867
814 HE1 TRP 107 HE1 TRP 107 11.730 3.205 3.205
815 HE3 TRP 107 HE3 TRP 107 8.094 5.636 5.636
816 HZ2 TRP 107 HZ2 TRP 107 12.675 5.635 5.635
817 HZ3 TRP 107 HZ3 TRP 107 9.748 7.454 7.454
818 HH2 TRP 107 HH2 TRP 107 11.971 7.493 7.493
819 H ASP 108 HN ASP 108 6.459 2.470 2.470
820 HA ASP 108 HA ASP 108 8.755 1.923 1.923
821 1HB ASP 108 HB2 ASP 108 7.202 3.667 3.667
822 2HB ASP 108 HB3 ASP 108 5.872 2.528 2.528
823 H THR 109 HN THR 109 8.371 -0.498 -0.498
824 HA THR 109 HA THR 109 7.843 -2.241 -2.241
825 HB THR 109 HB THR 109 6.084 -3.530 -3.530
826 HG1 THR 109 HG1 THR 109 6.254 -0.849 -0.849
827 1HG2 THR 109 HG23 THR 109 5.504 -1.982 -1.982
828 2HG2 THR 109 HG21 THR 109 5.213 -0.708 -0.708
829 3HG2 THR 109 HG22 THR 109 4.224 -2.188 -2.188
830 H LEU 110 HN LEU 110 8.175 -2.088 -2.088
831 HA LEU 110 HA LEU 110 9.100 -3.986 -3.986
832 1HB LEU 110 HB2 LEU 110 11.261 -2.039 -2.039
833 2HB LEU 110 HB3 LEU 110 11.314 -3.118 -3.118
834 HG LEU 110 HG LEU 110 9.269 -0.913 -0.913
835 1HD1 LEU 110 HD13 LEU 110 11.895 -0.948 -0.948
836 2HD1 LEU 110 HD11 LEU 110 10.595 0.219 0.219
837 3HD1 LEU 110 HD12 LEU 110 11.358 0.178 0.178
838 1HD2 LEU 110 HD22 LEU 110 9.255 -3.157 -3.157
839 2HD2 LEU 110 HD23 LEU 110 8.205 -1.722 -1.722
840 3HD2 LEU 110 HD21 LEU 110 9.712 -1.778 -1.778
841 H SER 111 HN SER 111 12.141 -3.475 -3.475
842 HA SER 111 HA SER 111 12.393 -4.836 -4.836
843 1HB SER 111 HB2 SER 111 11.426 -6.807 -6.807
844 2HB SER 111 HB3 SER 111 12.658 -7.357 -7.357
845 HG SER 111 HG SER 111 10.423 -7.715 -7.715
846 H THR 112 HN THR 112 13.271 -5.156 -5.156
847 HA THR 112 HA THR 112 15.729 -4.168 -4.168
848 HB THR 112 HB THR 112 15.694 -6.773 -6.773
849 HG1 THR 112 HG1 THR 112 17.547 -4.528 -4.528
850 1HG2 THR 112 HG21 THR 112 17.708 -6.107 -6.107
851 2HG2 THR 112 HG22 THR 112 18.175 -7.055 -7.055
852 3HG2 THR 112 HG23 THR 112 16.920 -7.669 -7.669
853 H THR 113 HN THR 113 14.666 -7.536 -7.536
854 HA THR 113 HA THR 113 15.756 -7.585 -7.585
855 HB THR 113 HB THR 113 13.279 -8.859 -8.859
856 HG1 THR 113 HG1 THR 113 15.981 -9.645 -9.645
857 1HG2 THR 113 HG21 THR 113 13.955 -8.787 -8.787
858 2HG2 THR 113 HG22 THR 113 14.355 -10.402 -10.402
859 3HG2 THR 113 HG23 THR 113 12.702 -9.765 -9.765
860 H GLN 114 HN GLN 114 12.978 -5.748 -5.748
861 HA GLN 114 HA GLN 114 12.048 -5.325 -5.325
862 1HB GLN 114 HB2 GLN 114 11.171 -4.477 -4.477
863 2HB GLN 114 HB3 GLN 114 10.581 -3.571 -3.571
864 1HG GLN 114 HG2 GLN 114 8.944 -5.180 -5.180
865 2HG GLN 114 HG3 GLN 114 10.145 -6.107 -6.107
866 1HE2 GLN 114 HE22 GLN 114 11.194 -8.032 -8.032
867 2HE2 GLN 114 HE21 GLN 114 11.860 -7.105 -7.105
868 H LYS 115 HN LYS 115 14.086 -3.729 -3.729
869 HA LYS 115 HA LYS 115 14.070 -1.193 -1.193
870 1HB LYS 115 HB2 LYS 115 15.138 -2.385 -2.385
871 2HB LYS 115 HB3 LYS 115 16.371 -1.432 -1.432
872 1HG LYS 115 HG2 LYS 115 15.205 0.565 0.565
873 2HG LYS 115 HG3 LYS 115 13.635 -0.206 -0.206
874 1HD LYS 115 HD2 LYS 115 15.496 -0.077 -0.077
875 2HD LYS 115 HD3 LYS 115 13.841 0.487 0.487
876 1HE LYS 115 HE2 LYS 115 13.251 -2.039 -2.039
877 2HE LYS 115 HE3 LYS 115 14.842 -2.376 -2.376
878 1HZ LYS 115 HZ3 LYS 115 13.969 -0.780 -0.780
879 2HZ LYS 115 HZ1 LYS 115 12.514 -1.316 -1.316
880 3HZ LYS 115 HZ2 LYS 115 13.632 -2.378 -2.378
881 H LYS 116 HN LYS 116 16.141 -4.132 -4.132
882 HA LYS 116 HA LYS 116 18.184 -2.993 -2.993
883 1HB LYS 116 HB2 LYS 116 19.030 -5.175 -5.175
884 2HB LYS 116 HB3 LYS 116 18.231 -5.129 -5.129
885 1HG LYS 116 HG2 LYS 116 17.098 -6.982 -6.982
886 2HG LYS 116 HG3 LYS 116 16.160 -5.910 -5.910
887 1HD LYS 116 HD2 LYS 116 18.793 -6.739 -6.739
888 2HD LYS 116 HD3 LYS 116 17.637 -8.041 -8.041
889 1HE LYS 116 HE2 LYS 116 16.544 -7.364 -7.364
890 2HE LYS 116 HE3 LYS 116 16.178 -5.832 -5.832
891 1HZ LYS 116 HZ1 LYS 116 18.842 -6.194 -6.194
892 2HZ LYS 116 HZ2 LYS 116 17.619 -5.957 -5.957
893 3HZ LYS 116 HZ3 LYS 116 17.936 -4.839 -4.839
894 H SER 117 HN SER 117 14.908 -3.895 -3.895
895 HA SER 117 HA SER 117 15.532 -4.158 -4.158
896 1HB SER 117 HB2 SER 117 13.601 -5.317 -5.317
897 2HB SER 117 HB3 SER 117 12.681 -4.167 -4.167
898 HG SER 117 HG SER 117 13.845 -6.573 -6.573
899 H LEU 118 HN LEU 118 15.008 -1.694 -1.694
900 HA LEU 118 HA LEU 118 13.260 -0.078 -0.078
901 1HB LEU 118 HB2 LEU 118 14.758 0.297 0.297
902 2HB LEU 118 HB3 LEU 118 14.007 1.656 1.656
903 HG LEU 118 HG LEU 118 12.522 -0.842 -0.842
904 1HD1 LEU 118 HD13 LEU 118 13.524 1.275 1.275
905 2HD1 LEU 118 HD11 LEU 118 11.758 1.463 1.463
906 3HD1 LEU 118 HD12 LEU 118 12.456 -0.071 -0.071
907 1HD2 LEU 118 HD22 LEU 118 11.769 1.599 1.599
908 2HD2 LEU 118 HD23 LEU 118 11.065 -0.035 -0.035
909 3HD2 LEU 118 HD21 LEU 118 10.646 1.096 1.096
910 H ASN 119 HN ASN 119 16.713 -0.703 -0.703
911 HA ASN 119 HA ASN 119 17.260 1.656 1.656
912 1HB ASN 119 HB2 ASN 119 19.610 1.328 1.328
913 2HB ASN 119 HB3 ASN 119 18.632 1.236 1.236
914 1HD2 ASN 119 HD22 ASN 119 19.817 -1.864 -1.864
915 2HD2 ASN 119 HD21 ASN 119 19.171 -0.307 -0.307
916 H HIS 120 HN HIS 120 16.160 -1.306 -1.306
917 HA HIS 120 HA HIS 120 18.206 -2.298 -2.298
918 1HB HIS 120 HB2 HIS 120 16.867 -4.187 -4.187
919 2HB HIS 120 HB3 HIS 120 16.584 -3.686 -3.686
920 HD1 HIS 120 HD1 HIS 120 14.638 -1.262 -1.262
921 HD2 HIS 120 HD2 HIS 120 14.225 -5.432 -5.432
922 HE1 HIS 120 HE1 HIS 120 12.167 -1.756 -1.756
923 H ARG 121 HN ARG 121 16.385 0.377 0.377
924 HA ARG 121 HA ARG 121 15.818 1.665 1.665
925 1HB ARG 121 HB2 ARG 121 17.629 -0.183 -0.183
926 2HB ARG 121 HB3 ARG 121 16.320 0.144 0.144
927 1HG ARG 121 HG2 ARG 121 18.239 1.770 1.770
928 2HG ARG 121 HG3 ARG 121 16.701 2.546 2.546
929 1HD ARG 121 HD2 ARG 121 17.360 3.286 3.286
930 2HD ARG 121 HD3 ARG 121 18.184 1.788 1.788
931 HE ARG 121 HE ARG 121 19.359 4.154 4.154
932 1HH1 ARG 121 HH22 ARG 121 19.705 0.704 0.704
933 2HH1 ARG 121 HH21 ARG 121 21.417 0.701 0.701
934 1HH2 ARG 121 HH12 ARG 121 21.617 4.150 4.150
935 2HH2 ARG 121 HH11 ARG 121 22.512 2.674 2.674
936 H TYR 122 HN TYR 122 15.243 -1.727 -1.727
937 HA TYR 122 HA TYR 122 12.511 -1.729 -1.729
938 1HB TYR 122 HB2 TYR 122 12.209 -0.007 -0.007
939 2HB TYR 122 HB3 TYR 122 13.604 -0.528 -0.528
940 HD1 TYR 122 HD2 TYR 122 10.383 -2.134 -2.134
941 HD2 TYR 122 HD1 TYR 122 13.072 -1.283 -1.283
942 HE1 TYR 122 HE2 TYR 122 8.861 -3.379 -3.379
943 HE2 TYR 122 HE1 TYR 122 11.540 -2.531 -2.531
944 HH TYR 122 HH TYR 122 9.041 -4.535 -4.535
945 H GLN 123 HN GLN 123 12.948 -3.893 -3.893
946 HA GLN 123 HA GLN 123 13.341 -6.014 -6.014
947 1HB GLN 123 HB2 GLN 123 11.330 -5.900 -5.900
948 2HB GLN 123 HB3 GLN 123 12.258 -5.406 -5.406
949 1HG GLN 123 HG2 GLN 123 13.472 -7.818 -7.818
950 2HG GLN 123 HG3 GLN 123 11.742 -8.095 -8.095
951 1HE2 GLN 123 HE22 GLN 123 12.966 -9.082 -9.082
952 2HE2 GLN 123 HE21 GLN 123 13.248 -9.532 -9.532
953 H MET 124 HN MET 124 15.703 -4.710 -4.710
954 HA MET 124 HA MET 124 17.141 -5.096 -5.096
955 1HB MET 124 HB2 MET 124 17.556 -4.059 -4.059
956 2HB MET 124 HB3 MET 124 18.940 -5.014 -5.014
957 1HG MET 124 HG2 MET 124 17.955 -3.191 -3.191
958 2HG MET 124 HG3 MET 124 18.496 -2.350 -2.350
959 1HE MET 124 HE1 MET 124 20.728 -2.275 -2.275
960 2HE MET 124 HE2 MET 124 20.890 -4.023 -4.023
961 3HE MET 124 HE3 MET 124 22.172 -3.147 -3.147
962 H GLY 125 HN GLY 125 16.036 -7.507 -7.507
963 1HA GLY 125 HA1 GLY 125 16.499 -9.705 -9.705
964 2HA GLY 125 HA2 GLY 125 18.193 -9.302 -9.302
965 H CYS 126 HN CYS 126 16.022 -8.041 -8.041
966 HA CYS 126 HA CYS 126 17.371 -9.262 -9.262
967 1HB CYS 126 HB2 CYS 126 15.942 -8.177 -8.177
968 2HB CYS 126 HB3 CYS 126 15.722 -7.238 -7.238
969 H GLU 127 HN GLU 127 15.703 -10.563 -10.563
970 HA GLU 127 HA GLU 127 13.933 -12.360 -12.360
971 1HB GLU 127 HB2 GLU 127 15.938 -13.271 -13.271
972 2HB GLU 127 HB3 GLU 127 16.724 -13.536 -13.536
973 1HG GLU 127 HG2 GLU 127 15.285 -15.299 -15.299
974 2HG GLU 127 HG3 GLU 127 13.979 -14.723 -14.723
Start of MODEL 31
1 H CYS 1 HN CYS 1 -7.418 -9.163 -9.163
2 HA CYS 1 HA CYS 1 -9.980 -9.297 -9.297
3 1HB CYS 1 HB2 CYS 1 -9.451 -11.073 -11.073
4 2HB CYS 1 HB3 CYS 1 -10.966 -10.934 -10.934
5 H SER 2 HN SER 2 -8.929 -10.012 -10.012
6 HA SER 2 HA SER 2 -8.191 -11.445 -11.445
7 1HB SER 2 HB2 SER 2 -8.942 -14.004 -14.004
8 2HB SER 2 HB3 SER 2 -9.785 -13.030 -13.030
9 HG SER 2 HG SER 2 -10.249 -13.268 -13.268
10 H CYS 3 HN CYS 3 -6.665 -10.963 -10.963
11 HA CYS 3 HA CYS 3 -5.281 -13.224 -13.224
12 1HB CYS 3 HB2 CYS 3 -4.801 -10.298 -10.298
13 2HB CYS 3 HB3 CYS 3 -3.408 -11.337 -11.337
14 H SER 4 HN SER 4 -2.622 -13.121 -13.121
15 HA SER 4 HA SER 4 -2.309 -12.861 -12.861
16 1HB SER 4 HB2 SER 4 -1.118 -14.952 -14.952
17 2HB SER 4 HB3 SER 4 -2.620 -15.269 -15.269
18 HG SER 4 HG SER 4 -1.003 -14.664 -14.664
19 HA PRO 5 HA PRO 5 1.058 -10.546 -10.546
20 1HB PRO 5 HB2 PRO 5 1.597 -9.070 -9.070
21 2HB PRO 5 HB3 PRO 5 0.418 -8.590 -8.590
22 1HG PRO 5 HG2 PRO 5 -0.037 -9.718 -9.718
23 2HG PRO 5 HG3 PRO 5 -1.158 -8.850 -8.850
24 1HD PRO 5 HD2 PRO 5 -1.085 -11.681 -11.681
25 2HD PRO 5 HD3 PRO 5 -2.128 -10.827 -10.827
26 H VAL 6 HN VAL 6 3.116 -11.129 -11.129
27 HA VAL 6 HA VAL 6 4.591 -12.036 -12.036
28 HB VAL 6 HB VAL 6 3.254 -14.014 -14.014
29 1HG1 VAL 6 HG13 VAL 6 4.311 -13.200 -13.200
30 2HG1 VAL 6 HG11 VAL 6 4.894 -14.840 -14.840
31 3HG1 VAL 6 HG12 VAL 6 3.148 -14.496 -14.496
32 1HG2 VAL 6 HG22 VAL 6 6.106 -13.817 -13.817
33 2HG2 VAL 6 HG23 VAL 6 4.911 -15.001 -15.001
34 3HG2 VAL 6 HG21 VAL 6 5.725 -15.253 -15.253
35 H HIS 7 HN HIS 7 6.198 -13.536 -13.536
36 HA HIS 7 HA HIS 7 8.192 -12.929 -12.929
37 1HB HIS 7 HB2 HIS 7 7.638 -11.297 -11.297
38 2HB HIS 7 HB3 HIS 7 7.255 -13.007 -13.007
39 HD1 HIS 7 HD1 HIS 7 4.941 -13.462 -13.462
40 HD2 HIS 7 HD2 HIS 7 5.214 -9.778 -9.778
41 HE1 HIS 7 HE1 HIS 7 2.608 -12.432 -12.432
42 HA PRO 8 HA PRO 8 8.949 -9.104 -9.104
43 1HB PRO 8 HB2 PRO 8 11.260 -9.895 -9.895
44 2HB PRO 8 HB3 PRO 8 9.677 -10.073 -10.073
45 1HG PRO 8 HG2 PRO 8 11.399 -12.144 -12.144
46 2HG PRO 8 HG3 PRO 8 10.044 -12.347 -12.347
47 1HD PRO 8 HD2 PRO 8 10.045 -12.793 -12.793
48 2HD PRO 8 HD3 PRO 8 8.664 -12.883 -12.883
49 H GLN 9 HN GLN 9 10.100 -10.516 -10.516
50 HA GLN 9 HA GLN 9 11.801 -8.222 -8.222
51 1HB GLN 9 HB2 GLN 9 13.345 -10.021 -10.021
52 2HB GLN 9 HB3 GLN 9 12.656 -11.105 -11.105
53 1HG GLN 9 HG2 GLN 9 14.110 -10.311 -10.311
54 2HG GLN 9 HG3 GLN 9 13.360 -8.731 -8.731
55 1HE2 GLN 9 HE22 GLN 9 15.660 -7.547 -7.547
56 2HE2 GLN 9 HE21 GLN 9 13.961 -7.654 -7.654
57 H GLN 10 HN GLN 10 10.151 -11.161 -11.161
58 HA GLN 10 HA GLN 10 10.284 -10.378 -10.378
59 1HB GLN 10 HB2 GLN 10 7.972 -12.016 -12.016
60 2HB GLN 10 HB3 GLN 10 8.904 -12.229 -12.229
61 1HG GLN 10 HG2 GLN 10 10.908 -12.623 -12.623
62 2HG GLN 10 HG3 GLN 10 9.573 -13.068 -13.068
63 1HE2 GLN 10 HE22 GLN 10 9.198 -16.238 -16.238
64 2HE2 GLN 10 HE21 GLN 10 8.985 -15.091 -15.091
65 H ALA 11 HN ALA 11 8.739 -8.854 -8.854
66 HA ALA 11 HA ALA 11 6.342 -8.105 -8.105
67 1HB ALA 11 HB2 ALA 11 7.421 -7.983 -7.983
68 2HB ALA 11 HB3 ALA 11 6.673 -6.443 -6.443
69 3HB ALA 11 HB1 ALA 11 5.729 -7.949 -7.949
70 H PHE 12 HN PHE 12 9.593 -6.799 -6.799
71 HA PHE 12 HA PHE 12 8.905 -4.253 -4.253
72 1HB PHE 12 HB2 PHE 12 11.452 -5.565 -5.565
73 2HB PHE 12 HB3 PHE 12 11.423 -3.911 -3.911
74 HD1 PHE 12 HD1 PHE 12 9.060 -5.857 -5.857
75 HD2 PHE 12 HD2 PHE 12 11.605 -2.479 -2.479
76 HE1 PHE 12 HE1 PHE 12 8.332 -5.071 -5.071
77 HE2 PHE 12 HE2 PHE 12 10.877 -1.694 -1.694
78 HZ PHE 12 HZ PHE 12 9.249 -2.999 -2.999
79 H CYS 13 HN CYS 13 9.735 -7.316 -7.316
80 HA CYS 13 HA CYS 13 11.297 -6.214 -6.214
81 1HB CYS 13 HB2 CYS 13 11.126 -8.836 -8.836
82 2HB CYS 13 HB3 CYS 13 11.177 -8.919 -8.919
83 H ASN 14 HN ASN 14 8.121 -7.209 -7.209
84 HA ASN 14 HA ASN 14 7.320 -7.845 -7.845
85 1HB ASN 14 HB2 ASN 14 6.391 -8.501 -8.501
86 2HB ASN 14 HB3 ASN 14 5.099 -7.606 -7.606
87 1HD2 ASN 14 HD22 ASN 14 5.975 -11.437 -11.437
88 2HD2 ASN 14 HD21 ASN 14 6.766 -10.548 -10.548
89 H ALA 15 HN ALA 15 6.837 -5.412 -5.412
90 HA ALA 15 HA ALA 15 4.841 -3.894 -3.894
91 1HB ALA 15 HB3 ALA 15 7.214 -3.050 -3.050
92 2HB ALA 15 HB1 ALA 15 5.745 -2.082 -2.082
93 3HB ALA 15 HB2 ALA 15 5.641 -3.637 -3.637
94 H ASP 16 HN ASP 16 5.286 -1.480 -1.480
95 HA ASP 16 HA ASP 16 7.608 -1.334 -1.334
96 1HB ASP 16 HB2 ASP 16 4.809 -1.719 -1.719
97 2HB ASP 16 HB3 ASP 16 5.749 -0.489 -0.489
98 H VAL 17 HN VAL 17 5.982 -0.032 -0.032
99 HA VAL 17 HA VAL 17 6.608 2.646 2.646
100 HB VAL 17 HB VAL 17 4.600 2.623 2.623
101 1HG1 VAL 17 HG12 VAL 17 3.493 1.089 1.089
102 2HG1 VAL 17 HG13 VAL 17 2.394 2.086 2.086
103 3HG1 VAL 17 HG11 VAL 17 3.335 0.785 0.785
104 1HG2 VAL 17 HG22 VAL 17 5.006 4.588 4.588
105 2HG2 VAL 17 HG23 VAL 17 3.290 4.332 4.332
106 3HG2 VAL 17 HG21 VAL 17 3.916 3.856 3.856
107 H VAL 18 HN VAL 18 7.880 2.388 2.388
108 HA VAL 18 HA VAL 18 6.364 1.893 1.893
109 HB VAL 18 HB VAL 18 9.327 2.197 2.197
110 1HG1 VAL 18 HG11 VAL 18 7.293 1.148 1.148
111 2HG1 VAL 18 HG12 VAL 18 8.478 -0.125 -0.125
112 3HG1 VAL 18 HG13 VAL 18 9.023 1.420 1.420
113 1HG2 VAL 18 HG23 VAL 18 8.187 0.612 0.612
114 2HG2 VAL 18 HG21 VAL 18 9.813 0.392 0.392
115 3HG2 VAL 18 HG22 VAL 18 8.442 -0.543 -0.543
116 H ILE 19 HN ILE 19 5.626 3.626 3.626
117 HA ILE 19 HA ILE 19 7.338 5.977 5.977
118 HB ILE 19 HB ILE 19 5.594 7.492 7.492
119 1HG1 ILE 19 HG12 ILE 19 3.858 5.073 5.073
120 2HG1 ILE 19 HG13 ILE 19 3.565 6.710 6.710
121 1HG2 ILE 19 HG23 ILE 19 6.976 6.179 6.179
122 2HG2 ILE 19 HG21 ILE 19 5.398 5.467 5.467
123 3HG2 ILE 19 HG22 ILE 19 5.628 7.229 7.229
124 1HD1 ILE 19 HD13 ILE 19 3.496 7.380 7.380
125 2HD1 ILE 19 HD11 ILE 19 3.381 5.634 5.634
126 3HD1 ILE 19 HD12 ILE 19 2.120 6.444 6.444
127 H ARG 20 HN ARG 20 7.542 6.649 6.649
128 HA ARG 20 HA ARG 20 6.026 5.292 5.292
129 1HB ARG 20 HB2 ARG 20 8.529 6.379 6.379
130 2HB ARG 20 HB3 ARG 20 7.671 7.704 7.704
131 1HG ARG 20 HG2 ARG 20 6.840 5.151 5.151
132 2HG ARG 20 HG3 ARG 20 8.583 5.316 5.316
133 1HD ARG 20 HD2 ARG 20 6.526 7.306 7.306
134 2HD ARG 20 HD3 ARG 20 7.592 6.295 6.295
135 HE ARG 20 HE ARG 20 8.989 8.059 8.059
136 1HH1 ARG 20 HH22 ARG 20 7.717 7.712 7.712
137 2HH1 ARG 20 HH21 ARG 20 8.742 8.938 8.938
138 1HH2 ARG 20 HH12 ARG 20 10.341 9.677 9.677
139 2HH2 ARG 20 HH11 ARG 20 10.245 10.064 10.064
140 H THR 21 HN THR 21 4.279 6.769 6.769
141 HA THR 21 HA THR 21 3.677 9.335 9.335
142 HB THR 21 HB THR 21 2.957 8.588 8.588
143 HG1 THR 21 HG1 THR 21 1.521 9.931 9.931
144 1HG2 THR 21 HG23 THR 21 2.633 6.102 6.102
145 2HG2 THR 21 HG21 THR 21 1.025 6.650 6.650
146 3HG2 THR 21 HG22 THR 21 1.477 6.752 6.752
147 H LYS 22 HN LYS 22 1.578 9.945 9.945
148 HA LYS 22 HA LYS 22 1.016 7.998 7.998
149 1HB LYS 22 HB2 LYS 22 0.795 9.829 9.829
150 2HB LYS 22 HB3 LYS 22 2.376 9.888 9.888
151 1HG LYS 22 HG2 LYS 22 1.669 11.675 11.675
152 2HG LYS 22 HG3 LYS 22 -0.001 11.515 11.515
153 1HD LYS 22 HD2 LYS 22 2.345 12.610 12.610
154 2HD LYS 22 HD3 LYS 22 0.833 13.407 13.407
155 1HE LYS 22 HE2 LYS 22 -0.310 11.525 11.525
156 2HE LYS 22 HE3 LYS 22 1.297 11.157 11.157
157 1HZ LYS 22 HZ1 LYS 22 -0.014 13.782 13.782
158 2HZ LYS 22 HZ2 LYS 22 0.176 12.726 12.726
159 3HZ LYS 22 HZ3 LYS 22 1.483 13.437 13.437
160 H ALA 23 HN ALA 23 -1.031 7.255 7.255
161 HA ALA 23 HA ALA 23 -2.968 8.718 8.718
162 1HB ALA 23 HB3 ALA 23 -2.623 6.300 6.300
163 2HB ALA 23 HB1 ALA 23 -3.066 5.967 5.967
164 3HB ALA 23 HB2 ALA 23 -4.275 6.635 6.635
165 H VAL 24 HN VAL 24 -3.925 10.376 10.376
166 HA VAL 24 HA VAL 24 -4.718 9.812 9.812
167 HB VAL 24 HB VAL 24 -4.956 12.378 12.378
168 1HG1 VAL 24 HG12 VAL 24 -2.481 10.717 10.717
169 2HG1 VAL 24 HG13 VAL 24 -2.280 12.485 12.485
170 3HG1 VAL 24 HG11 VAL 24 -3.268 11.697 11.697
171 1HG2 VAL 24 HG21 VAL 24 -4.599 12.327 12.327
172 2HG2 VAL 24 HG22 VAL 24 -3.944 13.660 13.660
173 3HG2 VAL 24 HG23 VAL 24 -2.876 12.339 12.339
174 H SER 25 HN SER 25 -5.775 10.908 10.908
175 HA SER 25 HA SER 25 -8.506 10.792 10.792
176 1HB SER 25 HB2 SER 25 -8.410 12.951 12.951
177 2HB SER 25 HB3 SER 25 -7.135 12.583 12.583
178 HG SER 25 HG SER 25 -9.292 13.049 13.049
179 H GLU 26 HN GLU 26 -10.146 10.084 10.084
180 HA GLU 26 HA GLU 26 -8.960 8.366 8.366
181 1HB GLU 26 HB2 GLU 26 -10.603 7.348 7.348
182 2HB GLU 26 HB3 GLU 26 -10.609 6.489 6.489
183 1HG GLU 26 HG2 GLU 26 -8.709 5.456 5.456
184 2HG GLU 26 HG3 GLU 26 -7.882 6.979 6.979
185 H LYS 27 HN LYS 27 -11.148 7.065 7.065
186 HA LYS 27 HA LYS 27 -13.384 8.882 8.882
187 1HB LYS 27 HB2 LYS 27 -11.841 9.912 9.912
188 2HB LYS 27 HB3 LYS 27 -11.689 8.393 8.393
189 1HG LYS 27 HG2 LYS 27 -13.853 8.508 8.508
190 2HG LYS 27 HG3 LYS 27 -14.474 9.444 9.444
191 1HD LYS 27 HD2 LYS 27 -14.161 10.669 10.669
192 2HD LYS 27 HD3 LYS 27 -13.589 11.482 11.482
193 1HE LYS 27 HE2 LYS 27 -11.286 10.850 10.850
194 2HE LYS 27 HE3 LYS 27 -11.766 9.727 9.727
195 1HZ LYS 27 HZ3 LYS 27 -12.844 12.042 12.042
196 2HZ LYS 27 HZ1 LYS 27 -11.446 12.549 12.549
197 3HZ LYS 27 HZ2 LYS 27 -11.418 11.440 11.440
198 H GLU 28 HN GLU 28 -15.073 7.536 7.536
199 HA GLU 28 HA GLU 28 -14.779 4.787 4.787
200 1HB GLU 28 HB2 GLU 28 -16.098 5.387 5.387
201 2HB GLU 28 HB3 GLU 28 -17.087 6.498 6.498
202 1HG GLU 28 HG2 GLU 28 -17.623 4.275 4.275
203 2HG GLU 28 HG3 GLU 28 -17.172 3.484 3.484
204 H VAL 29 HN VAL 29 -14.466 4.514 4.514
205 HA VAL 29 HA VAL 29 -16.589 5.560 5.560
206 HB VAL 29 HB VAL 29 -14.994 4.898 4.898
207 1HG1 VAL 29 HG13 VAL 29 -15.020 7.149 7.149
208 2HG1 VAL 29 HG11 VAL 29 -13.300 6.743 6.743
209 3HG1 VAL 29 HG12 VAL 29 -14.329 7.030 7.030
210 1HG2 VAL 29 HG22 VAL 29 -13.720 3.459 3.459
211 2HG2 VAL 29 HG23 VAL 29 -13.048 3.846 3.846
212 3HG2 VAL 29 HG21 VAL 29 -12.664 4.878 4.878
213 H ASP 30 HN ASP 30 -18.285 4.214 4.214
214 HA ASP 30 HA ASP 30 -18.297 1.590 1.590
215 1HB ASP 30 HB2 ASP 30 -19.990 2.490 2.490
216 2HB ASP 30 HB3 ASP 30 -20.449 1.501 1.501
217 H SER 31 HN SER 31 -18.357 -0.410 -0.410
218 HA SER 31 HA SER 31 -17.240 -0.056 -0.056
219 1HB SER 31 HB2 SER 31 -15.198 -0.564 -0.564
220 2HB SER 31 HB3 SER 31 -15.911 -1.381 -1.381
221 HG SER 31 HG SER 31 -15.979 -2.510 -2.510
222 H GLY 32 HN GLY 32 -19.869 -0.874 -0.874
223 1HA GLY 32 HA1 GLY 32 -21.558 -2.270 -2.270
224 2HA GLY 32 HA2 GLY 32 -20.546 -2.997 -2.997
225 H ASN 33 HN ASN 33 -21.981 -4.868 -4.868
226 HA ASN 33 HA ASN 33 -20.843 -5.803 -5.803
227 1HB ASN 33 HB2 ASN 33 -22.623 -7.470 -7.470
228 2HB ASN 33 HB3 ASN 33 -22.550 -7.473 -7.473
229 1HD2 ASN 33 HD22 ASN 33 -25.492 -5.537 -5.537
230 2HD2 ASN 33 HD21 ASN 33 -24.675 -6.978 -6.978
231 H ASP 34 HN ASP 34 -20.042 -8.205 -8.205
232 HA ASP 34 HA ASP 34 -18.215 -8.534 -8.534
233 1HB ASP 34 HB2 ASP 34 -17.763 -8.718 -8.718
234 2HB ASP 34 HB3 ASP 34 -18.319 -10.363 -10.363
235 H ILE 35 HN ILE 35 -17.848 -11.435 -11.435
236 HA ILE 35 HA ILE 35 -20.120 -12.346 -12.346
237 HB ILE 35 HB ILE 35 -17.586 -13.737 -13.737
238 1HG1 ILE 35 HG12 ILE 35 -17.027 -13.433 -13.433
239 2HG1 ILE 35 HG13 ILE 35 -18.342 -12.276 -12.276
240 1HG2 ILE 35 HG22 ILE 35 -19.929 -14.623 -14.623
241 2HG2 ILE 35 HG23 ILE 35 -18.297 -15.226 -15.226
242 3HG2 ILE 35 HG21 ILE 35 -19.001 -15.508 -15.508
243 1HD1 ILE 35 HD11 ILE 35 -16.286 -11.990 -11.990
244 2HD1 ILE 35 HD12 ILE 35 -15.874 -11.465 -11.465
245 3HD1 ILE 35 HD13 ILE 35 -17.258 -10.735 -10.735
246 H TYR 36 HN TYR 36 -19.668 -11.778 -11.778
247 HA TYR 36 HA TYR 36 -21.100 -14.215 -14.215
248 1HB TYR 36 HB2 TYR 36 -18.787 -13.115 -13.115
249 2HB TYR 36 HB3 TYR 36 -19.914 -12.108 -12.108
250 HD1 TYR 36 HD2 TYR 36 -21.474 -13.133 -13.133
251 HD2 TYR 36 HD1 TYR 36 -18.434 -15.424 -15.424
252 HE1 TYR 36 HE2 TYR 36 -21.708 -14.956 -14.956
253 HE2 TYR 36 HE1 TYR 36 -18.678 -17.238 -17.238
254 HH TYR 36 HH TYR 36 -20.464 -18.023 -18.023
255 H GLY 37 HN GLY 37 -21.710 -11.110 -11.110
256 1HA GLY 37 HA1 GLY 37 -23.752 -10.063 -10.063
257 2HA GLY 37 HA2 GLY 37 -24.267 -11.066 -11.066
258 H ASN 38 HN ASN 38 -21.284 -10.217 -10.217
259 HA ASN 38 HA ASN 38 -22.348 -8.226 -8.226
260 1HB ASN 38 HB2 ASN 38 -19.891 -8.183 -8.183
261 2HB ASN 38 HB3 ASN 38 -20.738 -9.709 -9.709
262 1HD2 ASN 38 HD22 ASN 38 -17.360 -10.343 -10.343
263 2HD2 ASN 38 HD21 ASN 38 -18.025 -9.625 -9.625
264 HA PRO 39 HA PRO 39 -20.819 -4.768 -4.768
265 1HB PRO 39 HB2 PRO 39 -20.383 -2.932 -2.932
266 2HB PRO 39 HB3 PRO 39 -21.972 -3.279 -3.279
267 1HG PRO 39 HG2 PRO 39 -20.811 -4.103 -4.103
268 2HG PRO 39 HG3 PRO 39 -22.494 -4.067 -4.067
269 1HD PRO 39 HD2 PRO 39 -20.814 -6.384 -6.384
270 2HD PRO 39 HD3 PRO 39 -22.462 -6.332 -6.332
271 H ILE 40 HN ILE 40 -19.018 -4.274 -4.274
272 HA ILE 40 HA ILE 40 -16.601 -5.322 -5.322
273 HB ILE 40 HB ILE 40 -17.254 -3.521 -3.521
274 1HG1 ILE 40 HG12 ILE 40 -16.687 -6.491 -6.491
275 2HG1 ILE 40 HG13 ILE 40 -18.218 -5.738 -5.738
276 1HG2 ILE 40 HG23 ILE 40 -14.616 -4.669 -4.669
277 2HG2 ILE 40 HG21 ILE 40 -14.941 -4.282 -4.282
278 3HG2 ILE 40 HG22 ILE 40 -15.013 -3.000 -3.000
279 1HD1 ILE 40 HD11 ILE 40 -16.545 -4.572 -4.572
280 2HD1 ILE 40 HD12 ILE 40 -15.832 -6.194 -6.194
281 3HD1 ILE 40 HD13 ILE 40 -17.540 -6.018 -6.018
282 H LYS 41 HN LYS 41 -17.094 -1.891 -1.891
283 HA LYS 41 HA LYS 41 -16.501 0.021 0.021
284 1HB LYS 41 HB2 LYS 41 -17.870 -0.702 -0.702
285 2HB LYS 41 HB3 LYS 41 -16.493 -1.530 -1.530
286 1HG LYS 41 HG2 LYS 41 -16.667 0.634 0.634
287 2HG LYS 41 HG3 LYS 41 -15.249 0.676 0.676
288 1HD LYS 41 HD2 LYS 41 -16.406 2.741 2.741
289 2HD LYS 41 HD3 LYS 41 -16.710 1.744 1.744
290 1HE LYS 41 HE2 LYS 41 -18.880 0.978 0.978
291 2HE LYS 41 HE3 LYS 41 -18.601 2.346 2.346
292 1HZ LYS 41 HZ3 LYS 41 -18.308 3.231 3.231
293 2HZ LYS 41 HZ1 LYS 41 -19.682 2.352 2.352
294 3HZ LYS 41 HZ2 LYS 41 -19.489 3.615 3.615
295 H ARG 42 HN ARG 42 -14.576 1.013 1.013
296 HA ARG 42 HA ARG 42 -12.239 -0.440 -0.440
297 1HB ARG 42 HB2 ARG 42 -11.328 0.972 0.972
298 2HB ARG 42 HB3 ARG 42 -11.668 -0.746 -0.746
299 1HG ARG 42 HG2 ARG 42 -14.086 -0.212 -0.212
300 2HG ARG 42 HG3 ARG 42 -13.616 1.464 1.464
301 1HD ARG 42 HD2 ARG 42 -11.773 0.516 0.516
302 2HD ARG 42 HD3 ARG 42 -12.747 -0.940 -0.940
303 HE ARG 42 HE ARG 42 -14.275 1.519 1.519
304 1HH1 ARG 42 HH22 ARG 42 -12.429 -1.104 -1.104
305 2HH1 ARG 42 HH21 ARG 42 -13.158 -0.928 -0.928
306 1HH2 ARG 42 HH12 ARG 42 -15.238 1.753 1.753
307 2HH2 ARG 42 HH11 ARG 42 -14.767 0.708 0.708
308 H ILE 43 HN ILE 43 -12.839 1.216 1.216
309 HA ILE 43 HA ILE 43 -12.844 3.869 3.869
310 HB ILE 43 HB ILE 43 -12.065 1.879 1.879
311 1HG1 ILE 43 HG12 ILE 43 -13.045 3.731 3.731
312 2HG1 ILE 43 HG13 ILE 43 -13.414 4.577 4.577
313 1HG2 ILE 43 HG23 ILE 43 -9.868 2.976 2.976
314 2HG2 ILE 43 HG21 ILE 43 -10.639 4.545 4.545
315 3HG2 ILE 43 HG22 ILE 43 -10.677 3.254 3.254
316 1HD1 ILE 43 HD11 ILE 43 -14.221 1.820 1.820
317 2HD1 ILE 43 HD12 ILE 43 -14.880 2.440 2.440
318 3HD1 ILE 43 HD13 ILE 43 -15.240 3.280 3.280
319 H GLN 44 HN GLN 44 -11.347 5.619 5.619
320 HA GLN 44 HA GLN 44 -9.045 4.932 4.932
321 1HB GLN 44 HB2 GLN 44 -10.381 7.573 7.573
322 2HB GLN 44 HB3 GLN 44 -8.879 7.495 7.495
323 1HG GLN 44 HG2 GLN 44 -11.618 6.482 6.482
324 2HG GLN 44 HG3 GLN 44 -10.569 7.595 7.595
325 1HE2 GLN 44 HE22 GLN 44 -10.071 3.506 3.506
326 2HE2 GLN 44 HE21 GLN 44 -11.061 4.260 4.260
327 H TYR 45 HN TYR 45 -7.107 6.727 6.727
328 HA TYR 45 HA TYR 45 -6.660 6.650 6.650
329 1HB TYR 45 HB2 TYR 45 -5.240 5.331 5.331
330 2HB TYR 45 HB3 TYR 45 -4.170 6.167 6.167
331 HD1 TYR 45 HD2 TYR 45 -5.872 5.616 5.616
332 HD2 TYR 45 HD1 TYR 45 -4.485 3.106 3.106
333 HE1 TYR 45 HE2 TYR 45 -5.922 3.607 3.607
334 HE2 TYR 45 HE1 TYR 45 -4.540 1.104 1.104
335 HH TYR 45 HH TYR 45 -5.050 0.376 0.376
336 H GLU 46 HN GLU 46 -7.404 8.982 8.982
337 HA GLU 46 HA GLU 46 -5.748 10.596 10.596
338 1HB GLU 46 HB2 GLU 46 -8.173 10.943 10.943
339 2HB GLU 46 HB3 GLU 46 -7.253 11.721 11.721
340 1HG GLU 46 HG2 GLU 46 -6.194 13.239 13.239
341 2HG GLU 46 HG3 GLU 46 -7.048 12.435 12.435
342 H ILE 47 HN ILE 47 -3.640 9.596 9.596
343 HA ILE 47 HA ILE 47 -2.808 10.193 10.193
344 HB ILE 47 HB ILE 47 -0.586 9.583 9.583
345 1HG1 ILE 47 HG12 ILE 47 -1.914 9.905 9.905
346 2HG1 ILE 47 HG13 ILE 47 -0.325 10.421 10.421
347 1HG2 ILE 47 HG23 ILE 47 -2.923 7.972 7.972
348 2HG2 ILE 47 HG21 ILE 47 -1.919 7.404 7.404
349 3HG2 ILE 47 HG22 ILE 47 -1.233 7.495 7.495
350 1HD1 ILE 47 HD13 ILE 47 -0.152 7.664 7.664
351 2HD1 ILE 47 HD11 ILE 47 -1.174 7.835 7.835
352 3HD1 ILE 47 HD12 ILE 47 0.440 8.584 8.584
353 H LYS 48 HN LYS 48 -0.332 11.442 11.442
354 HA LYS 48 HA LYS 48 -1.014 14.073 14.073
355 1HB LYS 48 HB2 LYS 48 -1.237 13.667 13.667
356 2HB LYS 48 HB3 LYS 48 0.503 13.868 13.868
357 1HG LYS 48 HG2 LYS 48 0.357 16.085 16.085
358 2HG LYS 48 HG3 LYS 48 -1.294 15.860 15.860
359 1HD LYS 48 HD2 LYS 48 -0.860 17.246 17.246
360 2HD LYS 48 HD3 LYS 48 -2.194 16.110 16.110
361 1HE LYS 48 HE2 LYS 48 -0.954 14.453 14.453
362 2HE LYS 48 HE3 LYS 48 0.567 15.285 15.285
363 1HZ LYS 48 HZ1 LYS 48 -1.122 17.087 17.087
364 2HZ LYS 48 HZ2 LYS 48 -1.308 15.689 15.689
365 3HZ LYS 48 HZ3 LYS 48 0.175 16.350 16.350
366 H GLN 49 HN GLN 49 0.851 11.426 11.426
367 HA GLN 49 HA GLN 49 2.860 10.988 10.988
368 1HB GLN 49 HB2 GLN 49 2.568 11.896 11.896
369 2HB GLN 49 HB3 GLN 49 1.975 13.417 13.417
370 1HG GLN 49 HG2 GLN 49 4.121 13.764 13.764
371 2HG GLN 49 HG3 GLN 49 4.298 14.125 14.125
372 1HE2 GLN 49 HE22 GLN 49 5.707 10.440 10.440
373 2HE2 GLN 49 HE21 GLN 49 4.181 11.068 11.068
374 H ILE 50 HN ILE 50 4.624 10.814 10.814
375 HA ILE 50 HA ILE 50 5.754 13.322 13.322
376 HB ILE 50 HB ILE 50 5.685 12.631 12.631
377 1HG1 ILE 50 HG12 ILE 50 6.578 9.962 9.962
378 2HG1 ILE 50 HG13 ILE 50 7.455 11.097 11.097
379 1HG2 ILE 50 HG21 ILE 50 3.393 12.019 12.019
380 2HG2 ILE 50 HG22 ILE 50 3.906 10.337 10.337
381 3HG2 ILE 50 HG23 ILE 50 3.776 11.459 11.459
382 1HD1 ILE 50 HD13 ILE 50 5.744 10.672 10.672
383 2HD1 ILE 50 HD11 ILE 50 5.079 9.372 9.372
384 3HD1 ILE 50 HD12 ILE 50 6.753 9.267 9.267
385 H LYS 51 HN LYS 51 6.188 10.033 10.033
386 HA LYS 51 HA LYS 51 8.884 10.800 10.800
387 1HB LYS 51 HB2 LYS 51 8.579 9.328 9.328
388 2HB LYS 51 HB3 LYS 51 8.714 8.056 8.056
389 1HG LYS 51 HG2 LYS 51 10.882 8.697 8.697
390 2HG LYS 51 HG3 LYS 51 10.660 10.361 10.361
391 1HD LYS 51 HD2 LYS 51 10.359 9.007 9.007
392 2HD LYS 51 HD3 LYS 51 11.547 8.012 8.012
393 1HE LYS 51 HE2 LYS 51 12.870 10.151 10.151
394 2HE LYS 51 HE3 LYS 51 11.745 11.009 11.009
395 1HZ LYS 51 HZ2 LYS 51 13.195 8.639 8.639
396 2HZ LYS 51 HZ3 LYS 51 13.810 10.144 10.144
397 3HZ LYS 51 HZ1 LYS 51 12.418 9.756 9.756
398 H MET 52 HN MET 52 9.781 9.217 9.217
399 HA MET 52 HA MET 52 7.722 7.659 7.659
400 1HB MET 52 HB2 MET 52 8.264 8.776 8.776
401 2HB MET 52 HB3 MET 52 7.458 9.842 9.842
402 1HG MET 52 HG2 MET 52 9.421 11.081 11.081
403 2HG MET 52 HG3 MET 52 10.484 9.768 9.768
404 1HE MET 52 HE1 MET 52 11.197 9.130 9.130
405 2HE MET 52 HE2 MET 52 9.755 8.861 8.861
406 3HE MET 52 HE3 MET 52 11.026 9.980 9.980
407 H PHE 53 HN PHE 53 9.495 6.232 6.232
408 HA PHE 53 HA PHE 53 12.053 5.987 5.987
409 1HB PHE 53 HB2 PHE 53 9.824 3.891 3.891
410 2HB PHE 53 HB3 PHE 53 11.511 3.427 3.427
411 HD1 PHE 53 HD2 PHE 53 13.047 4.845 4.845
412 HD2 PHE 53 HD1 PHE 53 8.905 4.041 4.041
413 HE1 PHE 53 HE2 PHE 53 13.257 5.173 5.173
414 HE2 PHE 53 HE1 PHE 53 9.115 4.370 4.370
415 HZ PHE 53 HZ PHE 53 11.288 4.932 4.932
416 H LYS 54 HN LYS 54 9.525 3.989 3.989
417 HA LYS 54 HA LYS 54 11.008 4.459 4.459
418 1HB LYS 54 HB2 LYS 54 11.727 2.298 2.298
419 2HB LYS 54 HB3 LYS 54 10.067 1.782 1.782
420 1HG LYS 54 HG2 LYS 54 10.933 0.852 0.852
421 2HG LYS 54 HG3 LYS 54 9.657 2.002 2.002
422 1HD LYS 54 HD2 LYS 54 11.519 3.773 3.773
423 2HD LYS 54 HD3 LYS 54 12.663 2.448 2.448
424 1HE LYS 54 HE2 LYS 54 11.448 1.362 1.362
425 2HE LYS 54 HE3 LYS 54 10.368 2.740 2.740
426 1HZ LYS 54 HZ3 LYS 54 12.550 4.052 4.052
427 2HZ LYS 54 HZ1 LYS 54 13.206 2.630 2.630
428 3HZ LYS 54 HZ2 LYS 54 11.983 3.284 3.284
429 H GLY 55 HN GLY 55 9.647 3.980 3.980
430 1HA GLY 55 HA1 GLY 55 7.280 3.458 3.458
431 2HA GLY 55 HA2 GLY 55 6.826 4.650 4.650
432 HA PRO 56 HA PRO 56 7.098 7.195 7.195
433 1HB PRO 56 HB2 PRO 56 5.327 9.104 9.104
434 2HB PRO 56 HB3 PRO 56 4.844 7.664 7.664
435 1HG PRO 56 HG2 PRO 56 4.529 8.277 8.277
436 2HG PRO 56 HG3 PRO 56 3.699 7.071 7.071
437 1HD PRO 56 HD2 PRO 56 5.835 6.612 6.612
438 2HD PRO 56 HD3 PRO 56 5.082 5.424 5.424
439 H GLU 57 HN GLU 57 7.012 9.922 9.922
440 HA GLU 57 HA GLU 57 9.322 10.430 10.430
441 1HB GLU 57 HB2 GLU 57 8.674 12.196 12.196
442 2HB GLU 57 HB3 GLU 57 10.235 11.775 11.775
443 1HG GLU 57 HG2 GLU 57 9.790 9.365 9.365
444 2HG GLU 57 HG3 GLU 57 8.434 10.023 10.023
445 H LYS 58 HN LYS 58 6.076 11.479 11.479
446 HA LYS 58 HA LYS 58 6.265 13.977 13.977
447 1HB LYS 58 HB2 LYS 58 4.826 13.260 13.260
448 2HB LYS 58 HB3 LYS 58 3.667 12.778 12.778
449 1HG LYS 58 HG2 LYS 58 3.014 14.946 14.946
450 2HG LYS 58 HG3 LYS 58 4.553 15.303 15.303
451 1HD LYS 58 HD2 LYS 58 4.481 15.108 15.108
452 2HD LYS 58 HD3 LYS 58 3.774 16.529 16.529
453 1HE LYS 58 HE2 LYS 58 6.247 16.133 16.133
454 2HE LYS 58 HE3 LYS 58 6.597 15.843 15.843
455 1HZ LYS 58 HZ2 LYS 58 4.947 18.065 18.065
456 2HZ LYS 58 HZ3 LYS 58 6.157 18.271 18.271
457 3HZ LYS 58 HZ1 LYS 58 6.502 18.001 18.001
458 H ASP 59 HN ASP 59 3.746 11.417 11.417
459 HA ASP 59 HA ASP 59 4.324 10.408 10.408
460 1HB ASP 59 HB2 ASP 59 4.586 12.494 12.494
461 2HB ASP 59 HB3 ASP 59 3.192 13.202 13.202
462 H ILE 60 HN ILE 60 2.163 9.805 9.805
463 HA ILE 60 HA ILE 60 0.074 9.460 9.460
464 HB ILE 60 HB ILE 60 0.149 7.994 7.994
465 1HG1 ILE 60 HG12 ILE 60 2.475 7.957 7.957
466 2HG1 ILE 60 HG13 ILE 60 1.717 6.388 6.388
467 1HG2 ILE 60 HG21 ILE 60 -1.591 7.942 7.942
468 2HG2 ILE 60 HG22 ILE 60 -0.460 6.664 6.664
469 3HG2 ILE 60 HG23 ILE 60 -1.275 6.558 6.558
470 1HD1 ILE 60 HD11 ILE 60 1.196 7.657 7.657
471 2HD1 ILE 60 HD12 ILE 60 2.905 7.268 7.268
472 3HD1 ILE 60 HD13 ILE 60 1.672 5.986 5.986
473 H GLU 61 HN GLU 61 0.116 9.727 9.727
474 HA GLU 61 HA GLU 61 -0.955 11.065 11.065
475 1HB GLU 61 HB2 GLU 61 -0.861 12.667 12.667
476 2HB GLU 61 HB3 GLU 61 -2.429 12.893 12.893
477 1HG GLU 61 HG2 GLU 61 -0.824 13.017 13.017
478 2HG GLU 61 HG3 GLU 61 0.286 13.635 13.635
479 H PHE 62 HN PHE 62 -2.354 9.247 9.247
480 HA PHE 62 HA PHE 62 -4.810 9.027 9.027
481 1HB PHE 62 HB2 PHE 62 -4.410 10.209 10.209
482 2HB PHE 62 HB3 PHE 62 -5.595 8.918 8.918
483 HD1 PHE 62 HD1 PHE 62 -7.623 9.103 9.103
484 HD2 PHE 62 HD2 PHE 62 -4.921 12.334 12.334
485 HE1 PHE 62 HE1 PHE 62 -9.368 10.697 10.697
486 HE2 PHE 62 HE2 PHE 62 -6.665 13.928 13.928
487 HZ PHE 62 HZ PHE 62 -8.868 13.090 13.090
488 H ILE 63 HN ILE 63 -4.348 6.910 6.910
489 HA ILE 63 HA ILE 63 -3.796 5.034 5.034
490 HB ILE 63 HB ILE 63 -3.479 4.327 4.327
491 1HG1 ILE 63 HG12 ILE 63 -2.331 6.655 6.655
492 2HG1 ILE 63 HG13 ILE 63 -1.750 5.672 5.672
493 1HG2 ILE 63 HG23 ILE 63 -2.260 3.501 3.501
494 2HG2 ILE 63 HG21 ILE 63 -1.464 3.133 3.133
495 3HG2 ILE 63 HG22 ILE 63 -3.098 2.511 2.511
496 1HD1 ILE 63 HD12 ILE 63 -0.906 5.138 5.138
497 2HD1 ILE 63 HD13 ILE 63 -0.028 6.267 6.267
498 3HD1 ILE 63 HD11 ILE 63 -0.143 4.546 4.546
499 H TYR 64 HN TYR 64 -4.782 2.751 2.751
500 HA TYR 64 HA TYR 64 -7.527 3.160 3.160
501 1HB TYR 64 HB2 TYR 64 -6.311 1.607 1.607
502 2HB TYR 64 HB3 TYR 64 -7.963 1.344 1.344
503 HD1 TYR 64 HD1 TYR 64 -5.804 4.337 4.337
504 HD2 TYR 64 HD2 TYR 64 -9.556 2.367 2.367
505 HE1 TYR 64 HE1 TYR 64 -6.583 6.249 6.249
506 HE2 TYR 64 HE2 TYR 64 -10.323 4.286 4.286
507 HH TYR 64 HH TYR 64 -8.405 7.200 7.200
508 H THR 65 HN THR 65 -8.582 1.239 1.239
509 HA THR 65 HA THR 65 -7.159 -1.172 -1.172
510 HB THR 65 HB THR 65 -5.803 0.298 0.298
511 HG1 THR 65 HG1 THR 65 -6.534 -2.007 -2.007
512 1HG2 THR 65 HG23 THR 65 -8.553 0.798 0.798
513 2HG2 THR 65 HG21 THR 65 -7.066 0.927 0.927
514 3HG2 THR 65 HG22 THR 65 -7.310 1.997 1.997
515 H ALA 66 HN ALA 66 -8.363 -1.953 -1.953
516 HA ALA 66 HA ALA 66 -11.161 -1.947 -1.947
517 1HB ALA 66 HB3 ALA 66 -9.289 -3.995 -3.995
518 2HB ALA 66 HB1 ALA 66 -10.795 -3.989 -3.989
519 3HB ALA 66 HB2 ALA 66 -10.858 -4.178 -4.178
520 HA PRO 67 HA PRO 67 -12.240 0.068 0.068
521 1HB PRO 67 HB2 PRO 67 -14.837 -0.720 -0.720
522 2HB PRO 67 HB3 PRO 67 -14.350 0.544 0.544
523 1HG PRO 67 HG2 PRO 67 -15.166 -2.235 -2.235
524 2HG PRO 67 HG3 PRO 67 -15.091 -0.859 -0.859
525 1HD PRO 67 HD2 PRO 67 -13.214 -3.022 -3.022
526 2HD PRO 67 HD3 PRO 67 -13.079 -1.588 -1.588
527 H SER 68 HN SER 68 -14.045 -0.662 -0.662
528 HA SER 68 HA SER 68 -14.099 -1.759 -1.759
529 1HB SER 68 HB2 SER 68 -13.701 -3.807 -3.807
530 2HB SER 68 HB3 SER 68 -12.703 -4.230 -4.230
531 HG SER 68 HG SER 68 -15.332 -3.347 -3.347
532 H SER 69 HN SER 69 -12.215 -3.675 -3.675
533 HA SER 69 HA SER 69 -10.183 -1.798 -1.798
534 1HB SER 69 HB2 SER 69 -9.458 -3.645 -3.645
535 2HB SER 69 HB3 SER 69 -11.106 -3.085 -3.085
536 HG SER 69 HG SER 69 -10.845 -5.212 -5.212
537 H ALA 70 HN ALA 70 -10.239 -2.875 -2.875
538 HA ALA 70 HA ALA 70 -8.546 -3.216 -3.216
539 1HB ALA 70 HB3 ALA 70 -7.046 -2.784 -2.784
540 2HB ALA 70 HB1 ALA 70 -6.749 -4.531 -4.531
541 3HB ALA 70 HB2 ALA 70 -6.351 -3.426 -3.426
542 H VAL 71 HN VAL 71 -9.755 -4.726 -4.726
543 HA VAL 71 HA VAL 71 -9.592 -7.484 -7.484
544 HB VAL 71 HB VAL 71 -11.698 -7.804 -7.804
545 1HG1 VAL 71 HG12 VAL 71 -11.577 -5.498 -5.498
546 2HG1 VAL 71 HG13 VAL 71 -12.022 -4.833 -4.833
547 3HG1 VAL 71 HG11 VAL 71 -13.096 -5.999 -5.999
548 1HG2 VAL 71 HG23 VAL 71 -11.017 -6.114 -6.114
549 2HG2 VAL 71 HG21 VAL 71 -11.356 -7.860 -7.860
550 3HG2 VAL 71 HG22 VAL 71 -12.672 -6.687 -6.687
551 H CYS 72 HN CYS 72 -9.088 -5.273 -5.273
552 HA CYS 72 HA CYS 72 -7.579 -7.449 -7.449
553 1HB CYS 72 HB2 CYS 72 -9.096 -5.299 -5.299
554 2HB CYS 72 HB3 CYS 72 -8.217 -6.647 -6.647
555 H GLY 73 HN GLY 73 -7.014 -5.086 -5.086
556 1HA GLY 73 HA1 GLY 73 -4.628 -4.173 -4.173
557 2HA GLY 73 HA2 GLY 73 -5.814 -2.920 -2.920
558 H VAL 74 HN VAL 74 -4.205 -1.921 -1.921
559 HA VAL 74 HA VAL 74 -3.976 -3.363 -3.363
560 HB VAL 74 HB VAL 74 -2.248 -1.192 -1.192
561 1HG1 VAL 74 HG12 VAL 74 -2.078 -2.654 -2.654
562 2HG1 VAL 74 HG13 VAL 74 -0.728 -1.736 -1.736
563 3HG1 VAL 74 HG11 VAL 74 -2.239 -0.902 -0.902
564 1HG2 VAL 74 HG22 VAL 74 -2.201 -3.677 -3.677
565 2HG2 VAL 74 HG23 VAL 74 -0.685 -2.796 -2.796
566 3HG2 VAL 74 HG21 VAL 74 -1.289 -3.966 -3.966
567 H SER 75 HN SER 75 -5.894 -1.175 -1.175
568 HA SER 75 HA SER 75 -6.876 0.744 0.744
569 1HB SER 75 HB2 SER 75 -7.907 -1.460 -1.460
570 2HB SER 75 HB3 SER 75 -7.623 -0.435 -0.435
571 HG SER 75 HG SER 75 -8.740 1.193 1.193
572 H LEU 76 HN LEU 76 -5.056 2.207 2.207
573 HA LEU 76 HA LEU 76 -4.241 2.564 2.564
574 1HB LEU 76 HB2 LEU 76 -2.823 4.001 4.001
575 2HB LEU 76 HB3 LEU 76 -2.207 3.216 3.216
576 HG LEU 76 HG LEU 76 -3.057 1.067 1.067
577 1HD1 LEU 76 HD13 LEU 76 -2.972 3.215 3.215
578 2HD1 LEU 76 HD11 LEU 76 -1.492 2.273 2.273
579 3HD1 LEU 76 HD12 LEU 76 -3.082 1.479 1.479
580 1HD2 LEU 76 HD21 LEU 76 -0.638 2.134 2.134
581 2HD2 LEU 76 HD22 LEU 76 -1.001 0.458 0.458
582 3HD2 LEU 76 HD23 LEU 76 -0.319 1.593 1.593
583 H ASP 77 HN ASP 77 -4.691 4.446 4.446
584 HA ASP 77 HA ASP 77 -6.101 6.456 6.456
585 1HB ASP 77 HB2 ASP 77 -7.191 6.940 6.940
586 2HB ASP 77 HB3 ASP 77 -7.823 5.657 5.657
587 H VAL 78 HN VAL 78 -3.285 5.699 5.699
588 HA VAL 78 HA VAL 78 -1.586 6.909 6.909
589 HB VAL 78 HB VAL 78 -3.348 8.985 8.985
590 1HG1 VAL 78 HG11 VAL 78 -1.441 9.550 9.550
591 2HG1 VAL 78 HG12 VAL 78 -1.481 10.679 10.679
592 3HG1 VAL 78 HG13 VAL 78 -2.963 10.361 10.361
593 1HG2 VAL 78 HG23 VAL 78 -1.061 7.590 7.590
594 2HG2 VAL 78 HG21 VAL 78 -1.769 9.000 9.000
595 3HG2 VAL 78 HG22 VAL 78 -0.466 9.227 9.227
596 H GLY 79 HN GLY 79 -4.720 8.375 8.375
597 1HA GLY 79 HA1 GLY 79 -3.892 9.211 9.211
598 2HA GLY 79 HA2 GLY 79 -5.521 8.732 8.732
599 H GLY 80 HN GLY 80 -4.008 5.986 5.986
600 1HA GLY 80 HA1 GLY 80 -4.097 4.900 4.900
601 2HA GLY 80 HA2 GLY 80 -4.697 4.058 4.058
602 H LYS 81 HN LYS 81 -2.438 5.080 5.080
603 HA LYS 81 HA LYS 81 -0.351 3.331 3.331
604 1HB LYS 81 HB2 LYS 81 -0.017 3.610 3.610
605 2HB LYS 81 HB3 LYS 81 -0.461 2.177 2.177
606 1HG LYS 81 HG2 LYS 81 -2.484 4.298 4.298
607 2HG LYS 81 HG3 LYS 81 -2.117 2.885 2.885
608 1HD LYS 81 HD2 LYS 81 -3.163 1.416 1.416
609 2HD LYS 81 HD3 LYS 81 -2.787 2.385 2.385
610 1HE LYS 81 HE2 LYS 81 -4.982 3.017 3.017
611 2HE LYS 81 HE3 LYS 81 -4.467 4.100 4.100
612 1HZ LYS 81 HZ2 LYS 81 -4.832 1.643 1.643
613 2HZ LYS 81 HZ3 LYS 81 -6.121 1.854 1.854
614 3HZ LYS 81 HZ1 LYS 81 -5.776 2.964 2.964
615 H LYS 82 HN LYS 82 0.007 5.405 5.405
616 HA LYS 82 HA LYS 82 0.851 7.747 7.747
617 1HB LYS 82 HB2 LYS 82 3.389 7.392 7.392
618 2HB LYS 82 HB3 LYS 82 2.404 6.932 6.932
619 1HG LYS 82 HG2 LYS 82 2.494 4.652 4.652
620 2HG LYS 82 HG3 LYS 82 4.132 5.266 5.266
621 1HD LYS 82 HD2 LYS 82 4.363 4.396 4.396
622 2HD LYS 82 HD3 LYS 82 3.022 5.365 5.365
623 1HE LYS 82 HE2 LYS 82 1.567 3.597 3.597
624 2HE LYS 82 HE3 LYS 82 2.131 3.051 3.051
625 1HZ LYS 82 HZ2 LYS 82 4.177 2.311 2.311
626 2HZ LYS 82 HZ3 LYS 82 3.226 2.434 2.434
627 3HZ LYS 82 HZ1 LYS 82 2.818 1.413 1.413
628 H GLU 83 HN GLU 83 3.127 5.591 5.591
629 HA GLU 83 HA GLU 83 2.082 6.605 6.605
630 1HB GLU 83 HB2 GLU 83 5.062 6.856 6.856
631 2HB GLU 83 HB3 GLU 83 4.022 7.706 7.706
632 1HG GLU 83 HG2 GLU 83 4.425 9.384 9.384
633 2HG GLU 83 HG3 GLU 83 2.914 8.725 8.725
634 H TYR 84 HN TYR 84 3.056 5.429 5.429
635 HA TYR 84 HA TYR 84 4.448 2.973 2.973
636 1HB TYR 84 HB2 TYR 84 2.670 1.746 1.746
637 2HB TYR 84 HB3 TYR 84 2.028 2.424 2.424
638 HD1 TYR 84 HD2 TYR 84 2.576 3.508 3.508
639 HD2 TYR 84 HD1 TYR 84 -0.010 3.513 3.513
640 HE1 TYR 84 HE2 TYR 84 0.813 4.764 4.764
641 HE2 TYR 84 HE1 TYR 84 -1.766 4.770 4.770
642 HH TYR 84 HH TYR 84 -1.814 4.912 4.912
643 H LEU 85 HN LEU 85 5.519 1.958 1.958
644 HA LEU 85 HA LEU 85 6.198 3.883 3.883
645 1HB LEU 85 HB2 LEU 85 7.835 2.146 2.146
646 2HB LEU 85 HB3 LEU 85 7.998 2.721 2.721
647 HG LEU 85 HG LEU 85 8.213 0.173 0.173
648 1HD1 LEU 85 HD13 LEU 85 7.695 1.634 1.634
649 2HD1 LEU 85 HD11 LEU 85 6.497 0.319 0.319
650 3HD1 LEU 85 HD12 LEU 85 8.231 -0.061 -0.061
651 1HD2 LEU 85 HD23 LEU 85 6.109 -0.059 -0.059
652 2HD2 LEU 85 HD21 LEU 85 6.113 -1.074 -1.074
653 3HD2 LEU 85 HD22 LEU 85 5.205 0.457 0.457
654 H ILE 86 HN ILE 86 3.562 1.990 1.990
655 HA ILE 86 HA ILE 86 2.559 0.445 0.445
656 HB ILE 86 HB ILE 86 2.013 3.269 3.269
657 1HG1 ILE 86 HG12 ILE 86 -0.237 2.563 2.563
658 2HG1 ILE 86 HG13 ILE 86 0.084 0.975 0.975
659 1HG2 ILE 86 HG23 ILE 86 1.677 1.712 1.712
660 2HG2 ILE 86 HG21 ILE 86 0.491 2.961 2.961
661 3HG2 ILE 86 HG22 ILE 86 2.206 3.394 3.394
662 1HD1 ILE 86 HD13 ILE 86 1.886 1.490 1.490
663 2HD1 ILE 86 HD11 ILE 86 0.192 1.728 1.728
664 3HD1 ILE 86 HD12 ILE 86 0.705 0.175 0.175
665 H ALA 87 HN ALA 87 3.760 -0.953 -0.953
666 HA ALA 87 HA ALA 87 4.673 0.130 0.130
667 1HB ALA 87 HB2 ALA 87 6.180 -1.310 -1.310
668 2HB ALA 87 HB3 ALA 87 6.441 -1.892 -1.892
669 3HB ALA 87 HB1 ALA 87 6.759 -0.189 -0.189
670 H GLY 88 HN GLY 88 3.147 -0.681 -0.681
671 1HA GLY 88 HA1 GLY 88 2.978 -3.558 -3.558
672 2HA GLY 88 HA2 GLY 88 1.494 -2.790 -2.790
673 H LYS 89 HN LYS 89 1.480 -4.115 -4.115
674 HA LYS 89 HA LYS 89 2.243 -2.954 -2.954
675 1HB LYS 89 HB2 LYS 89 0.246 -4.799 -4.799
676 2HB LYS 89 HB3 LYS 89 -0.536 -3.667 -3.667
677 1HG LYS 89 HG2 LYS 89 0.800 -4.250 -4.250
678 2HG LYS 89 HG3 LYS 89 2.181 -4.655 -4.655
679 1HD LYS 89 HD2 LYS 89 0.914 -6.706 -6.706
680 2HD LYS 89 HD3 LYS 89 -0.355 -6.323 -6.323
681 1HE LYS 89 HE2 LYS 89 2.245 -6.276 -6.276
682 2HE LYS 89 HE3 LYS 89 2.030 -7.800 -7.800
683 1HZ LYS 89 HZ2 LYS 89 -0.181 -6.764 -6.764
684 2HZ LYS 89 HZ3 LYS 89 1.076 -7.457 -7.457
685 3HZ LYS 89 HZ1 LYS 89 0.225 -8.313 -8.313
686 H ALA 90 HN ALA 90 2.485 -0.743 -0.743
687 HA ALA 90 HA ALA 90 0.573 1.080 1.080
688 1HB ALA 90 HB3 ALA 90 3.173 1.095 1.095
689 2HB ALA 90 HB1 ALA 90 2.151 2.166 2.166
690 3HB ALA 90 HB2 ALA 90 2.305 2.449 2.449
691 H GLU 91 HN GLU 91 -0.347 2.813 2.813
692 HA GLU 91 HA GLU 91 -1.528 1.278 1.278
693 1HB GLU 91 HB2 GLU 91 -3.034 1.798 1.798
694 2HB GLU 91 HB3 GLU 91 -3.056 3.442 3.442
695 1HG GLU 91 HG2 GLU 91 -4.999 2.101 2.101
696 2HG GLU 91 HG3 GLU 91 -4.006 2.710 2.710
697 H GLY 92 HN GLY 92 0.747 3.420 3.420
698 1HA GLY 92 HA1 GLY 92 1.378 4.583 4.583
699 2HA GLY 92 HA2 GLY 92 -0.196 5.348 5.348
700 H ASP 93 HN ASP 93 -0.243 7.368 7.368
701 HA ASP 93 HA ASP 93 1.614 7.880 7.880
702 1HB ASP 93 HB2 ASP 93 1.715 9.023 9.023
703 2HB ASP 93 HB3 ASP 93 1.262 10.294 10.294
704 H GLY 94 HN GLY 94 0.696 9.274 9.274
705 1HA GLY 94 HA1 GLY 94 -0.817 10.676 10.676
706 2HA GLY 94 HA2 GLY 94 -1.680 10.812 10.812
707 H LYS 95 HN LYS 95 -1.154 7.518 7.518
708 HA LYS 95 HA LYS 95 -2.995 6.857 6.857
709 1HB LYS 95 HB2 LYS 95 -5.023 6.497 6.497
710 2HB LYS 95 HB3 LYS 95 -4.510 8.045 8.045
711 1HG LYS 95 HG2 LYS 95 -3.825 5.447 5.447
712 2HG LYS 95 HG3 LYS 95 -5.368 6.238 6.238
713 1HD LYS 95 HD2 LYS 95 -4.427 8.052 8.052
714 2HD LYS 95 HD3 LYS 95 -2.928 7.974 7.974
715 1HE LYS 95 HE2 LYS 95 -1.942 6.586 6.586
716 2HE LYS 95 HE3 LYS 95 -3.356 5.556 5.556
717 1HZ LYS 95 HZ2 LYS 95 -3.458 8.200 8.200
718 2HZ LYS 95 HZ3 LYS 95 -2.646 7.014 7.014
719 3HZ LYS 95 HZ1 LYS 95 -4.235 6.833 6.833
720 H MET 96 HN MET 96 -3.092 4.585 4.585
721 HA MET 96 HA MET 96 -1.966 2.958 2.958
722 1HB MET 96 HB2 MET 96 -0.410 1.993 1.993
723 2HB MET 96 HB3 MET 96 0.142 3.291 3.291
724 1HG MET 96 HG2 MET 96 0.146 4.796 4.796
725 2HG MET 96 HG3 MET 96 -1.473 4.348 4.348
726 1HE MET 96 HE1 MET 96 1.991 4.410 4.410
727 2HE MET 96 HE2 MET 96 1.670 4.620 4.620
728 3HE MET 96 HE3 MET 96 2.525 3.170 3.170
729 H HIS 97 HN HIS 97 -1.523 0.593 0.593
730 HA HIS 97 HA HIS 97 -4.063 0.209 0.209
731 1HB HIS 97 HB2 HIS 97 -3.164 -0.985 -0.985
732 2HB HIS 97 HB3 HIS 97 -3.429 -2.219 -2.219
733 HD1 HIS 97 HD1 HIS 97 -5.506 -3.011 -3.011
734 HD2 HIS 97 HD2 HIS 97 -5.855 0.809 0.809
735 HE1 HIS 97 HE1 HIS 97 -7.970 -2.372 -2.372
736 H ILE 98 HN ILE 98 -3.908 -0.867 -0.867
737 HA ILE 98 HA ILE 98 -1.491 -2.410 -2.410
738 HB ILE 98 HB ILE 98 -1.047 -1.288 -1.288
739 1HG1 ILE 98 HG12 ILE 98 -3.441 0.401 0.401
740 2HG1 ILE 98 HG13 ILE 98 -3.164 -0.524 -0.524
741 1HG2 ILE 98 HG22 ILE 98 -0.241 -0.460 -0.460
742 2HG2 ILE 98 HG23 ILE 98 -1.152 0.997 0.997
743 3HG2 ILE 98 HG21 ILE 98 0.182 0.412 0.412
744 1HD1 ILE 98 HD11 ILE 98 -1.088 1.534 1.534
745 2HD1 ILE 98 HD12 ILE 98 -2.704 2.162 2.162
746 3HD1 ILE 98 HD13 ILE 98 -1.849 1.103 1.103
747 H THR 99 HN THR 99 -1.757 -4.002 -4.002
748 HA THR 99 HA THR 99 -4.394 -4.209 -4.209
749 HB THR 99 HB THR 99 -4.391 -6.682 -6.682
750 HG1 THR 99 HG1 THR 99 -2.807 -6.954 -6.954
751 1HG2 THR 99 HG23 THR 99 -4.817 -4.329 -4.329
752 2HG2 THR 99 HG21 THR 99 -5.450 -5.976 -5.976
753 3HG2 THR 99 HG22 THR 99 -6.042 -4.975 -4.975
754 H LEU 100 HN LEU 100 -4.486 -6.021 -6.021
755 HA LEU 100 HA LEU 100 -2.249 -5.830 -5.830
756 1HB LEU 100 HB2 LEU 100 -3.503 -6.954 -6.954
757 2HB LEU 100 HB3 LEU 100 -4.754 -6.304 -6.304
758 HG LEU 100 HG LEU 100 -3.813 -8.990 -8.990
759 1HD1 LEU 100 HD11 LEU 100 -4.670 -8.435 -8.435
760 2HD1 LEU 100 HD12 LEU 100 -5.491 -9.792 -9.792
761 3HD1 LEU 100 HD13 LEU 100 -3.717 -9.781 -9.781
762 1HD2 LEU 100 HD22 LEU 100 -6.303 -7.398 -7.398
763 2HD2 LEU 100 HD23 LEU 100 -5.686 -8.551 -8.551
764 3HD2 LEU 100 HD21 LEU 100 -6.503 -9.149 -9.149
765 H CYS 101 HN CYS 101 -3.129 -8.023 -8.023
766 HA CYS 101 HA CYS 101 -1.307 -10.057 -10.057
767 1HB CYS 101 HB2 CYS 101 -1.860 -10.225 -10.225
768 2HB CYS 101 HB3 CYS 101 -2.448 -11.235 -11.235
769 H ASP 102 HN ASP 102 -1.274 -7.065 -7.065
770 HA ASP 102 HA ASP 102 1.174 -7.681 -7.681
771 1HB ASP 102 HB2 ASP 102 -0.795 -5.970 -5.970
772 2HB ASP 102 HB3 ASP 102 0.146 -4.861 -4.861
773 H PHE 103 HN PHE 103 3.041 -5.875 -5.875
774 HA PHE 103 HA PHE 103 3.873 -6.018 -6.018
775 1HB PHE 103 HB2 PHE 103 5.533 -6.086 -6.086
776 2HB PHE 103 HB3 PHE 103 4.792 -4.751 -4.751
777 HD1 PHE 103 HD2 PHE 103 5.260 -4.447 -4.447
778 HD2 PHE 103 HD1 PHE 103 6.994 -3.684 -3.684
779 HE1 PHE 103 HE2 PHE 103 6.888 -2.860 -2.860
780 HE2 PHE 103 HE1 PHE 103 8.622 -2.096 -2.096
781 HZ PHE 103 HZ PHE 103 8.550 -1.703 -1.703
782 H ILE 104 HN ILE 104 3.308 -4.678 -4.678
783 HA ILE 104 HA ILE 104 3.301 -1.868 -1.868
784 HB ILE 104 HB ILE 104 0.844 -1.710 -1.710
785 1HG1 ILE 104 HG12 ILE 104 0.757 -4.370 -4.370
786 2HG1 ILE 104 HG13 ILE 104 0.509 -4.143 -4.143
787 1HG2 ILE 104 HG23 ILE 104 2.099 -1.257 -1.257
788 2HG2 ILE 104 HG21 ILE 104 0.815 -2.387 -2.387
789 3HG2 ILE 104 HG22 ILE 104 0.396 -0.872 -0.872
790 1HD1 ILE 104 HD13 ILE 104 -1.371 -2.478 -2.478
791 2HD1 ILE 104 HD11 ILE 104 -1.231 -3.151 -3.151
792 3HD1 ILE 104 HD12 ILE 104 -1.687 -4.207 -4.207
793 H VAL 105 HN VAL 105 3.756 -0.885 -0.885
794 HA VAL 105 HA VAL 105 3.039 -2.193 -2.193
795 HB VAL 105 HB VAL 105 5.740 -1.802 -1.802
796 1HG1 VAL 105 HG12 VAL 105 4.134 -3.638 -3.638
797 2HG1 VAL 105 HG13 VAL 105 4.534 -4.473 -4.473
798 3HG1 VAL 105 HG11 VAL 105 5.813 -4.126 -4.126
799 1HG2 VAL 105 HG22 VAL 105 5.348 -3.109 -3.109
800 2HG2 VAL 105 HG23 VAL 105 6.235 -1.606 -1.606
801 3HG2 VAL 105 HG21 VAL 105 6.853 -3.163 -3.163
802 HA PRO 106 HA PRO 106 3.167 1.934 1.934
803 1HB PRO 106 HB2 PRO 106 3.511 1.721 1.721
804 2HB PRO 106 HB3 PRO 106 1.967 1.477 1.477
805 1HG PRO 106 HG2 PRO 106 3.810 -0.539 -0.539
806 2HG PRO 106 HG3 PRO 106 2.111 -0.706 -0.706
807 1HD PRO 106 HD2 PRO 106 4.336 -1.697 -1.697
808 2HD PRO 106 HD3 PRO 106 2.646 -1.761 -1.761
809 H TRP 107 HN TRP 107 5.839 0.242 0.242
810 HA TRP 107 HA TRP 107 7.949 0.907 0.907
811 1HB TRP 107 HB2 TRP 107 6.853 3.184 3.184
812 2HB TRP 107 HB3 TRP 107 7.319 3.615 3.615
813 HD1 TRP 107 HD1 TRP 107 9.420 1.761 1.761
814 HE1 TRP 107 HE1 TRP 107 11.735 2.976 2.976
815 HE3 TRP 107 HE3 TRP 107 8.536 5.549 5.549
816 HZ2 TRP 107 HZ2 TRP 107 12.910 5.333 5.333
817 HZ3 TRP 107 HZ3 TRP 107 10.319 7.266 7.266
818 HH2 TRP 107 HH2 TRP 107 12.446 7.200 7.200
819 H ASP 108 HN ASP 108 6.544 2.445 2.445
820 HA ASP 108 HA ASP 108 8.816 1.911 1.911
821 1HB ASP 108 HB2 ASP 108 7.056 3.633 3.633
822 2HB ASP 108 HB3 ASP 108 5.929 2.346 2.346
823 H THR 109 HN THR 109 8.413 -0.510 -0.510
824 HA THR 109 HA THR 109 7.888 -2.262 -2.262
825 HB THR 109 HB THR 109 6.117 -3.538 -3.538
826 HG1 THR 109 HG1 THR 109 6.223 -2.546 -2.546
827 1HG2 THR 109 HG21 THR 109 5.518 -1.933 -1.933
828 2HG2 THR 109 HG22 THR 109 5.291 -0.677 -0.677
829 3HG2 THR 109 HG23 THR 109 4.261 -2.129 -2.129
830 H LEU 110 HN LEU 110 8.180 -2.140 -2.140
831 HA LEU 110 HA LEU 110 9.116 -4.004 -4.004
832 1HB LEU 110 HB2 LEU 110 11.314 -2.118 -2.118
833 2HB LEU 110 HB3 LEU 110 11.335 -3.158 -3.158
834 HG LEU 110 HG LEU 110 9.346 -0.914 -0.914
835 1HD1 LEU 110 HD12 LEU 110 11.834 -0.287 -0.287
836 2HD1 LEU 110 HD13 LEU 110 11.642 -0.824 -0.824
837 3HD1 LEU 110 HD11 LEU 110 10.639 0.506 0.506
838 1HD2 LEU 110 HD22 LEU 110 9.240 -3.108 -3.108
839 2HD2 LEU 110 HD23 LEU 110 8.267 -1.619 -1.619
840 3HD2 LEU 110 HD21 LEU 110 9.778 -1.742 -1.742
841 H SER 111 HN SER 111 12.145 -3.552 -3.552
842 HA SER 111 HA SER 111 12.332 -4.968 -4.968
843 1HB SER 111 HB2 SER 111 11.421 -6.873 -6.873
844 2HB SER 111 HB3 SER 111 12.633 -7.459 -7.459
845 HG SER 111 HG SER 111 11.236 -7.122 -7.122
846 H THR 112 HN THR 112 13.312 -5.281 -5.281
847 HA THR 112 HA THR 112 15.773 -4.258 -4.258
848 HB THR 112 HB THR 112 15.681 -6.882 -6.882
849 HG1 THR 112 HG1 THR 112 17.780 -5.753 -5.753
850 1HG2 THR 112 HG21 THR 112 17.758 -6.242 -6.242
851 2HG2 THR 112 HG22 THR 112 18.133 -7.271 -7.271
852 3HG2 THR 112 HG23 THR 112 16.879 -7.770 -7.770
853 H THR 113 HN THR 113 14.667 -7.573 -7.573
854 HA THR 113 HA THR 113 15.843 -7.526 -7.526
855 HB THR 113 HB THR 113 13.295 -8.866 -8.866
856 HG1 THR 113 HG1 THR 113 15.438 -9.284 -9.284
857 1HG2 THR 113 HG22 THR 113 13.951 -8.761 -8.761
858 2HG2 THR 113 HG23 THR 113 14.982 -10.113 -10.113
859 3HG2 THR 113 HG21 THR 113 13.220 -10.191 -10.191
860 H GLN 114 HN GLN 114 12.995 -5.804 -5.804
861 HA GLN 114 HA GLN 114 12.075 -5.312 -5.312
862 1HB GLN 114 HB2 GLN 114 11.200 -4.578 -4.578
863 2HB GLN 114 HB3 GLN 114 10.646 -3.558 -3.558
864 1HG GLN 114 HG2 GLN 114 8.960 -5.119 -5.119
865 2HG GLN 114 HG3 GLN 114 10.124 -5.982 -5.982
866 1HE2 GLN 114 HE22 GLN 114 11.204 -8.150 -8.150
867 2HE2 GLN 114 HE21 GLN 114 11.880 -7.093 -7.093
868 H LYS 115 HN LYS 115 14.070 -3.709 -3.709
869 HA LYS 115 HA LYS 115 14.053 -1.168 -1.168
870 1HB LYS 115 HB2 LYS 115 15.252 -2.432 -2.432
871 2HB LYS 115 HB3 LYS 115 16.330 -1.290 -1.290
872 1HG LYS 115 HG2 LYS 115 14.949 0.532 0.532
873 2HG LYS 115 HG3 LYS 115 13.478 -0.413 -0.413
874 1HD LYS 115 HD2 LYS 115 15.430 -0.325 -0.325
875 2HD LYS 115 HD3 LYS 115 13.771 0.238 0.238
876 1HE LYS 115 HE2 LYS 115 13.167 -2.251 -2.251
877 2HE LYS 115 HE3 LYS 115 14.785 -2.626 -2.626
878 1HZ LYS 115 HZ1 LYS 115 13.930 -1.121 -1.121
879 2HZ LYS 115 HZ2 LYS 115 12.500 -1.752 -1.752
880 3HZ LYS 115 HZ3 LYS 115 13.724 -2.740 -2.740
881 H LYS 116 HN LYS 116 16.209 -4.056 -4.056
882 HA LYS 116 HA LYS 116 18.204 -2.874 -2.874
883 1HB LYS 116 HB2 LYS 116 19.103 -5.037 -5.037
884 2HB LYS 116 HB3 LYS 116 18.319 -5.002 -5.002
885 1HG LYS 116 HG2 LYS 116 17.206 -6.876 -6.876
886 2HG LYS 116 HG3 LYS 116 16.255 -5.840 -5.840
887 1HD LYS 116 HD2 LYS 116 18.915 -6.655 -6.655
888 2HD LYS 116 HD3 LYS 116 17.760 -7.957 -7.957
889 1HE LYS 116 HE2 LYS 116 16.727 -7.308 -7.308
890 2HE LYS 116 HE3 LYS 116 16.287 -5.796 -5.796
891 1HZ LYS 116 HZ2 LYS 116 18.745 -5.230 -5.230
892 2HZ LYS 116 HZ3 LYS 116 18.519 -6.362 -6.362
893 3HZ LYS 116 HZ1 LYS 116 17.549 -5.049 -5.049
894 H SER 117 HN SER 117 14.951 -3.876 -3.876
895 HA SER 117 HA SER 117 15.573 -4.114 -4.114
896 1HB SER 117 HB2 SER 117 13.683 -5.335 -5.335
897 2HB SER 117 HB3 SER 117 12.727 -4.226 -4.226
898 HG SER 117 HG SER 117 13.618 -6.625 -6.625
899 H LEU 118 HN LEU 118 14.890 -1.696 -1.696
900 HA LEU 118 HA LEU 118 13.138 -0.131 -0.131
901 1HB LEU 118 HB2 LEU 118 14.213 -0.046 -0.046
902 2HB LEU 118 HB3 LEU 118 14.096 1.529 1.529
903 HG LEU 118 HG LEU 118 11.679 -0.110 -0.110
904 1HD1 LEU 118 HD11 LEU 118 12.561 0.677 0.677
905 2HD1 LEU 118 HD12 LEU 118 10.904 0.205 0.205
906 3HD1 LEU 118 HD13 LEU 118 12.238 -0.964 -0.964
907 1HD2 LEU 118 HD23 LEU 118 12.010 2.352 2.352
908 2HD2 LEU 118 HD21 LEU 118 10.556 1.925 1.925
909 3HD2 LEU 118 HD22 LEU 118 11.965 2.634 2.634
910 H ASN 119 HN ASN 119 16.583 -0.651 -0.651
911 HA ASN 119 HA ASN 119 17.122 1.798 1.798
912 1HB ASN 119 HB2 ASN 119 19.420 1.556 1.556
913 2HB ASN 119 HB3 ASN 119 18.424 1.193 1.193
914 1HD2 ASN 119 HD22 ASN 119 19.612 -2.015 -2.015
915 2HD2 ASN 119 HD21 ASN 119 18.722 -0.639 -0.639
916 H HIS 120 HN HIS 120 16.106 -1.151 -1.151
917 HA HIS 120 HA HIS 120 18.223 -1.907 -1.907
918 1HB HIS 120 HB2 HIS 120 17.041 -3.908 -3.908
919 2HB HIS 120 HB3 HIS 120 16.862 -3.538 -3.538
920 HD1 HIS 120 HD1 HIS 120 14.596 -1.248 -1.248
921 HD2 HIS 120 HD2 HIS 120 14.545 -5.415 -5.415
922 HE1 HIS 120 HE1 HIS 120 12.150 -1.957 -1.957
923 H ARG 121 HN ARG 121 16.420 0.663 0.663
924 HA ARG 121 HA ARG 121 15.662 1.939 1.939
925 1HB ARG 121 HB2 ARG 121 17.468 0.247 0.247
926 2HB ARG 121 HB3 ARG 121 16.035 0.291 0.291
927 1HG ARG 121 HG2 ARG 121 17.630 2.689 2.689
928 2HG ARG 121 HG3 ARG 121 17.512 2.132 2.132
929 1HD ARG 121 HD2 ARG 121 14.846 2.597 2.597
930 2HD ARG 121 HD3 ARG 121 15.841 4.033 4.033
931 HE ARG 121 HE ARG 121 15.890 2.694 2.694
932 1HH1 ARG 121 HH21 ARG 121 13.919 6.155 6.155
933 2HH1 ARG 121 HH22 ARG 121 14.491 5.233 5.233
934 1HH2 ARG 121 HH12 ARG 121 15.136 3.910 3.910
935 2HH2 ARG 121 HH11 ARG 121 14.289 5.397 5.397
936 H TYR 122 HN TYR 122 15.060 -1.345 -1.345
937 HA TYR 122 HA TYR 122 12.369 -1.474 -1.474
938 1HB TYR 122 HB2 TYR 122 11.305 -0.632 -0.632
939 2HB TYR 122 HB3 TYR 122 12.599 0.525 0.525
940 HD1 TYR 122 HD1 TYR 122 14.730 0.286 0.286
941 HD2 TYR 122 HD2 TYR 122 11.199 -1.981 -1.981
942 HE1 TYR 122 HE1 TYR 122 15.598 -0.220 -0.220
943 HE2 TYR 122 HE2 TYR 122 12.079 -2.479 -2.479
944 HH TYR 122 HH TYR 122 14.335 -0.802 -0.802
945 H GLN 123 HN GLN 123 12.901 -3.653 -3.653
946 HA GLN 123 HA GLN 123 13.270 -5.749 -5.749
947 1HB GLN 123 HB2 GLN 123 11.188 -5.594 -5.594
948 2HB GLN 123 HB3 GLN 123 12.027 -4.987 -4.987
949 1HG GLN 123 HG2 GLN 123 13.335 -7.430 -7.430
950 2HG GLN 123 HG3 GLN 123 11.616 -7.748 -7.748
951 1HE2 GLN 123 HE22 GLN 123 10.991 -7.884 -7.884
952 2HE2 GLN 123 HE21 GLN 123 10.476 -8.121 -8.121
953 H MET 124 HN MET 124 15.615 -4.447 -4.447
954 HA MET 124 HA MET 124 16.926 -4.669 -4.669
955 1HB MET 124 HB2 MET 124 17.494 -3.805 -3.805
956 2HB MET 124 HB3 MET 124 18.868 -4.641 -4.641
957 1HG MET 124 HG2 MET 124 17.656 -2.743 -2.743
958 2HG MET 124 HG3 MET 124 18.170 -1.949 -1.949
959 1HE MET 124 HE2 MET 124 19.806 -0.572 -0.572
960 2HE MET 124 HE3 MET 124 21.364 -1.010 -1.010
961 3HE MET 124 HE1 MET 124 19.878 -1.013 -1.013
962 H GLY 125 HN GLY 125 15.837 -7.109 -7.109
963 1HA GLY 125 HA1 GLY 125 16.306 -9.302 -9.302
964 2HA GLY 125 HA2 GLY 125 18.006 -8.877 -8.877
965 H CYS 126 HN CYS 126 15.972 -7.815 -7.815
966 HA CYS 126 HA CYS 126 17.599 -9.008 -9.008
967 1HB CYS 126 HB2 CYS 126 16.263 -8.036 -8.036
968 2HB CYS 126 HB3 CYS 126 15.846 -7.073 -7.073
969 H GLU 127 HN GLU 127 15.947 -10.363 -10.363
970 HA GLU 127 HA GLU 127 14.295 -12.268 -12.268
971 1HB GLU 127 HB2 GLU 127 16.391 -13.052 -13.052
972 2HB GLU 127 HB3 GLU 127 17.130 -13.308 -13.308
973 1HG GLU 127 HG2 GLU 127 14.489 -14.594 -14.594
974 2HG GLU 127 HG3 GLU 127 15.554 -15.155 -15.155
Start of MODEL 32
1 H CYS 1 HN CYS 1 -7.477 -9.688 -9.688
2 HA CYS 1 HA CYS 1 -9.039 -8.915 -8.915
3 1HB CYS 1 HB2 CYS 1 -9.570 -10.829 -10.829
4 2HB CYS 1 HB3 CYS 1 -10.759 -10.412 -10.412
5 H SER 2 HN SER 2 -8.492 -9.792 -9.792
6 HA SER 2 HA SER 2 -8.061 -11.249 -11.249
7 1HB SER 2 HB2 SER 2 -9.151 -13.709 -13.709
8 2HB SER 2 HB3 SER 2 -9.868 -12.587 -12.587
9 HG SER 2 HG SER 2 -10.357 -12.917 -12.917
10 H CYS 3 HN CYS 3 -6.399 -11.173 -11.173
11 HA CYS 3 HA CYS 3 -5.311 -13.726 -13.726
12 1HB CYS 3 HB2 CYS 3 -5.176 -11.456 -11.456
13 2HB CYS 3 HB3 CYS 3 -3.649 -11.317 -11.317
14 H SER 4 HN SER 4 -2.811 -14.090 -14.090
15 HA SER 4 HA SER 4 -2.415 -13.364 -13.364
16 1HB SER 4 HB2 SER 4 -1.028 -15.335 -15.335
17 2HB SER 4 HB3 SER 4 -2.501 -15.805 -15.805
18 HG SER 4 HG SER 4 -1.402 -15.805 -15.805
19 HA PRO 5 HA PRO 5 0.761 -10.806 -10.806
20 1HB PRO 5 HB2 PRO 5 1.122 -9.217 -9.217
21 2HB PRO 5 HB3 PRO 5 -0.073 -8.884 -8.884
22 1HG PRO 5 HG2 PRO 5 -0.478 -9.962 -9.962
23 2HG PRO 5 HG3 PRO 5 -1.652 -9.232 -9.232
24 1HD PRO 5 HD2 PRO 5 -1.333 -12.029 -12.029
25 2HD PRO 5 HD3 PRO 5 -2.428 -11.308 -11.308
26 H VAL 6 HN VAL 6 2.740 -11.558 -11.558
27 HA VAL 6 HA VAL 6 4.301 -12.137 -12.137
28 HB VAL 6 HB VAL 6 3.135 -14.233 -14.233
29 1HG1 VAL 6 HG11 VAL 6 4.046 -13.430 -13.430
30 2HG1 VAL 6 HG12 VAL 6 4.760 -15.010 -15.010
31 3HG1 VAL 6 HG13 VAL 6 2.993 -14.793 -14.793
32 1HG2 VAL 6 HG23 VAL 6 6.020 -13.827 -13.827
33 2HG2 VAL 6 HG21 VAL 6 4.917 -14.979 -14.979
34 3HG2 VAL 6 HG22 VAL 6 5.617 -15.366 -15.366
35 H HIS 7 HN HIS 7 6.014 -13.606 -13.606
36 HA HIS 7 HA HIS 7 7.942 -12.938 -12.938
37 1HB HIS 7 HB2 HIS 7 7.337 -11.265 -11.265
38 2HB HIS 7 HB3 HIS 7 6.953 -12.974 -12.974
39 HD1 HIS 7 HD1 HIS 7 4.592 -13.477 -13.477
40 HD2 HIS 7 HD2 HIS 7 4.969 -9.711 -9.711
41 HE1 HIS 7 HE1 HIS 7 2.267 -12.428 -12.428
42 HA PRO 8 HA PRO 8 8.638 -9.163 -9.163
43 1HB PRO 8 HB2 PRO 8 10.937 -9.966 -9.966
44 2HB PRO 8 HB3 PRO 8 9.347 -10.166 -10.166
45 1HG PRO 8 HG2 PRO 8 11.094 -12.204 -12.204
46 2HG PRO 8 HG3 PRO 8 9.726 -12.435 -12.435
47 1HD PRO 8 HD2 PRO 8 9.766 -12.826 -12.826
48 2HD PRO 8 HD3 PRO 8 8.372 -12.944 -12.944
49 H GLN 9 HN GLN 9 9.953 -10.621 -10.621
50 HA GLN 9 HA GLN 9 11.604 -8.273 -8.273
51 1HB GLN 9 HB2 GLN 9 13.291 -9.830 -9.830
52 2HB GLN 9 HB3 GLN 9 12.474 -11.164 -11.164
53 1HG GLN 9 HG2 GLN 9 14.447 -10.387 -10.387
54 2HG GLN 9 HG3 GLN 9 12.957 -10.216 -10.216
55 1HE2 GLN 9 HE22 GLN 9 14.386 -6.756 -6.756
56 2HE2 GLN 9 HE21 GLN 9 14.269 -8.253 -8.253
57 H GLN 10 HN GLN 10 9.959 -11.185 -11.185
58 HA GLN 10 HA GLN 10 10.163 -10.398 -10.398
59 1HB GLN 10 HB2 GLN 10 7.821 -12.018 -12.018
60 2HB GLN 10 HB3 GLN 10 8.746 -12.219 -12.219
61 1HG GLN 10 HG2 GLN 10 10.758 -12.677 -12.677
62 2HG GLN 10 HG3 GLN 10 9.447 -13.069 -13.069
63 1HE2 GLN 10 HE22 GLN 10 8.598 -16.125 -16.125
64 2HE2 GLN 10 HE21 GLN 10 8.283 -14.895 -14.895
65 H ALA 11 HN ALA 11 8.583 -8.860 -8.860
66 HA ALA 11 HA ALA 11 6.234 -8.071 -8.071
67 1HB ALA 11 HB2 ALA 11 7.233 -7.981 -7.981
68 2HB ALA 11 HB3 ALA 11 6.479 -6.449 -6.449
69 3HB ALA 11 HB1 ALA 11 5.560 -7.969 -7.969
70 H PHE 12 HN PHE 12 9.486 -6.843 -6.843
71 HA PHE 12 HA PHE 12 8.865 -4.261 -4.261
72 1HB PHE 12 HB2 PHE 12 11.363 -5.611 -5.611
73 2HB PHE 12 HB3 PHE 12 11.353 -3.944 -3.944
74 HD1 PHE 12 HD1 PHE 12 8.901 -5.929 -5.929
75 HD2 PHE 12 HD2 PHE 12 11.489 -2.569 -2.569
76 HE1 PHE 12 HE1 PHE 12 8.095 -5.201 -5.201
77 HE2 PHE 12 HE2 PHE 12 10.683 -1.841 -1.841
78 HZ PHE 12 HZ PHE 12 8.995 -3.166 -3.166
79 H CYS 13 HN CYS 13 9.514 -7.265 -7.265
80 HA CYS 13 HA CYS 13 11.210 -6.160 -6.160
81 1HB CYS 13 HB2 CYS 13 10.961 -8.858 -8.858
82 2HB CYS 13 HB3 CYS 13 11.250 -8.799 -8.799
83 H ASN 14 HN ASN 14 8.025 -7.142 -7.142
84 HA ASN 14 HA ASN 14 7.288 -7.788 -7.788
85 1HB ASN 14 HB2 ASN 14 6.327 -8.510 -8.510
86 2HB ASN 14 HB3 ASN 14 5.030 -7.625 -7.625
87 1HD2 ASN 14 HD22 ASN 14 5.962 -11.428 -11.428
88 2HD2 ASN 14 HD21 ASN 14 6.695 -10.551 -10.551
89 H ALA 15 HN ALA 15 6.828 -5.365 -5.365
90 HA ALA 15 HA ALA 15 4.772 -3.878 -3.878
91 1HB ALA 15 HB3 ALA 15 7.189 -3.097 -3.097
92 2HB ALA 15 HB1 ALA 15 5.816 -2.011 -2.011
93 3HB ALA 15 HB2 ALA 15 5.561 -3.527 -3.527
94 H ASP 16 HN ASP 16 5.167 -1.461 -1.461
95 HA ASP 16 HA ASP 16 7.415 -1.321 -1.321
96 1HB ASP 16 HB2 ASP 16 4.567 -1.691 -1.691
97 2HB ASP 16 HB3 ASP 16 5.471 -0.465 -0.465
98 H VAL 17 HN VAL 17 5.885 -0.014 -0.014
99 HA VAL 17 HA VAL 17 6.513 2.660 2.660
100 HB VAL 17 HB VAL 17 4.369 2.416 2.416
101 1HG1 VAL 17 HG13 VAL 17 3.473 0.755 0.755
102 2HG1 VAL 17 HG11 VAL 17 2.967 2.219 2.219
103 3HG1 VAL 17 HG12 VAL 17 2.338 1.898 1.898
104 1HG2 VAL 17 HG21 VAL 17 5.218 4.555 4.555
105 2HG2 VAL 17 HG22 VAL 17 3.540 4.504 4.504
106 3HG2 VAL 17 HG23 VAL 17 3.885 4.241 4.241
107 H VAL 18 HN VAL 18 7.838 2.397 2.397
108 HA VAL 18 HA VAL 18 6.392 1.908 1.908
109 HB VAL 18 HB VAL 18 9.345 2.186 2.186
110 1HG1 VAL 18 HG13 VAL 18 7.281 0.947 0.947
111 2HG1 VAL 18 HG11 VAL 18 8.605 -0.183 -0.183
112 3HG1 VAL 18 HG12 VAL 18 8.959 1.379 1.379
113 1HG2 VAL 18 HG23 VAL 18 8.878 0.945 0.945
114 2HG2 VAL 18 HG21 VAL 18 9.697 -0.066 -0.066
115 3HG2 VAL 18 HG22 VAL 18 7.948 -0.252 -0.252
116 H ILE 19 HN ILE 19 5.713 3.645 3.645
117 HA ILE 19 HA ILE 19 7.461 5.966 5.966
118 HB ILE 19 HB ILE 19 5.763 7.520 7.520
119 1HG1 ILE 19 HG12 ILE 19 3.946 5.160 5.160
120 2HG1 ILE 19 HG13 ILE 19 3.727 6.801 6.801
121 1HG2 ILE 19 HG21 ILE 19 7.077 6.354 6.354
122 2HG2 ILE 19 HG22 ILE 19 5.624 5.369 5.369
123 3HG2 ILE 19 HG23 ILE 19 5.559 7.136 7.136
124 1HD1 ILE 19 HD12 ILE 19 3.650 7.480 7.480
125 2HD1 ILE 19 HD13 ILE 19 3.407 5.744 5.744
126 3HD1 ILE 19 HD11 ILE 19 2.234 6.645 6.645
127 H ARG 20 HN ARG 20 7.659 6.686 6.686
128 HA ARG 20 HA ARG 20 6.155 5.331 5.331
129 1HB ARG 20 HB2 ARG 20 8.660 6.317 6.317
130 2HB ARG 20 HB3 ARG 20 7.868 7.744 7.744
131 1HG ARG 20 HG2 ARG 20 6.915 5.301 5.301
132 2HG ARG 20 HG3 ARG 20 8.654 5.465 5.465
133 1HD ARG 20 HD2 ARG 20 6.572 7.551 7.551
134 2HD ARG 20 HD3 ARG 20 7.578 6.608 6.608
135 HE ARG 20 HE ARG 20 9.074 8.213 8.213
136 1HH1 ARG 20 HH22 ARG 20 7.696 8.092 8.092
137 2HH1 ARG 20 HH21 ARG 20 8.717 9.346 9.346
138 1HH2 ARG 20 HH12 ARG 20 10.420 9.868 9.868
139 2HH2 ARG 20 HH11 ARG 20 10.277 10.363 10.363
140 H THR 21 HN THR 21 4.363 6.758 6.758
141 HA THR 21 HA THR 21 3.793 9.350 9.350
142 HB THR 21 HB THR 21 3.083 8.606 8.606
143 HG1 THR 21 HG1 THR 21 1.667 9.954 9.954
144 1HG2 THR 21 HG23 THR 21 2.709 6.130 6.130
145 2HG2 THR 21 HG21 THR 21 1.114 6.705 6.705
146 3HG2 THR 21 HG22 THR 21 1.557 6.803 6.803
147 H LYS 22 HN LYS 22 1.715 9.968 9.968
148 HA LYS 22 HA LYS 22 1.134 7.999 7.999
149 1HB LYS 22 HB2 LYS 22 0.919 9.817 9.817
150 2HB LYS 22 HB3 LYS 22 2.501 9.876 9.876
151 1HG LYS 22 HG2 LYS 22 1.799 11.676 11.676
152 2HG LYS 22 HG3 LYS 22 0.131 11.524 11.524
153 1HD LYS 22 HD2 LYS 22 2.493 12.591 12.591
154 2HD LYS 22 HD3 LYS 22 0.985 13.402 13.402
155 1HE LYS 22 HE2 LYS 22 -0.151 11.484 11.484
156 2HE LYS 22 HE3 LYS 22 1.462 11.159 11.159
157 1HZ LYS 22 HZ3 LYS 22 1.518 13.609 13.609
158 2HZ LYS 22 HZ1 LYS 22 -0.098 13.616 13.616
159 3HZ LYS 22 HZ2 LYS 22 0.551 12.684 12.684
160 H ALA 23 HN ALA 23 -0.929 7.294 7.294
161 HA ALA 23 HA ALA 23 -2.854 8.760 8.760
162 1HB ALA 23 HB1 ALA 23 -2.542 6.346 6.346
163 2HB ALA 23 HB2 ALA 23 -2.952 6.009 6.009
164 3HB ALA 23 HB3 ALA 23 -4.182 6.684 6.684
165 H VAL 24 HN VAL 24 -3.768 10.439 10.439
166 HA VAL 24 HA VAL 24 -4.575 9.881 9.881
167 HB VAL 24 HB VAL 24 -4.760 12.433 12.433
168 1HG1 VAL 24 HG11 VAL 24 -2.310 10.743 10.743
169 2HG1 VAL 24 HG12 VAL 24 -2.066 12.506 12.506
170 3HG1 VAL 24 HG13 VAL 24 -3.021 11.754 11.754
171 1HG2 VAL 24 HG22 VAL 24 -4.572 12.528 12.528
172 2HG2 VAL 24 HG23 VAL 24 -3.671 13.731 13.731
173 3HG2 VAL 24 HG21 VAL 24 -2.822 12.329 12.329
174 H SER 25 HN SER 25 -5.618 10.950 10.950
175 HA SER 25 HA SER 25 -8.349 10.901 10.901
176 1HB SER 25 HB2 SER 25 -8.186 13.055 13.055
177 2HB SER 25 HB3 SER 25 -6.958 12.627 12.627
178 HG SER 25 HG SER 25 -9.510 13.016 13.016
179 H GLU 26 HN GLU 26 -10.012 10.112 10.112
180 HA GLU 26 HA GLU 26 -8.864 8.389 8.389
181 1HB GLU 26 HB2 GLU 26 -10.403 7.420 7.420
182 2HB GLU 26 HB3 GLU 26 -10.569 6.560 6.560
183 1HG GLU 26 HG2 GLU 26 -8.663 5.450 5.450
184 2HG GLU 26 HG3 GLU 26 -7.800 6.936 6.936
185 H LYS 27 HN LYS 27 -11.148 7.043 7.043
186 HA LYS 27 HA LYS 27 -13.362 8.859 8.859
187 1HB LYS 27 HB2 LYS 27 -11.883 9.930 9.930
188 2HB LYS 27 HB3 LYS 27 -11.688 8.418 8.418
189 1HG LYS 27 HG2 LYS 27 -13.878 8.447 8.447
190 2HG LYS 27 HG3 LYS 27 -14.497 9.409 9.409
191 1HD LYS 27 HD2 LYS 27 -14.219 10.568 10.568
192 2HD LYS 27 HD3 LYS 27 -13.673 11.438 11.438
193 1HE LYS 27 HE2 LYS 27 -11.350 10.831 10.831
194 2HE LYS 27 HE3 LYS 27 -11.807 9.688 9.688
195 1HZ LYS 27 HZ3 LYS 27 -12.335 12.573 12.573
196 2HZ LYS 27 HZ1 LYS 27 -11.051 11.836 11.836
197 3HZ LYS 27 HZ2 LYS 27 -12.564 11.472 11.472
198 H GLU 28 HN GLU 28 -15.110 7.568 7.568
199 HA GLU 28 HA GLU 28 -14.774 4.795 4.795
200 1HB GLU 28 HB2 GLU 28 -16.083 5.472 5.472
201 2HB GLU 28 HB3 GLU 28 -17.150 6.449 6.449
202 1HG GLU 28 HG2 GLU 28 -17.312 3.946 3.946
203 2HG GLU 28 HG3 GLU 28 -17.166 3.523 3.523
204 H VAL 29 HN VAL 29 -14.533 4.434 4.434
205 HA VAL 29 HA VAL 29 -16.633 5.536 5.536
206 HB VAL 29 HB VAL 29 -15.044 4.794 4.794
207 1HG1 VAL 29 HG13 VAL 29 -15.179 7.125 7.125
208 2HG1 VAL 29 HG11 VAL 29 -13.443 6.732 6.732
209 3HG1 VAL 29 HG12 VAL 29 -14.266 6.902 6.902
210 1HG2 VAL 29 HG21 VAL 29 -13.787 3.212 3.212
211 2HG2 VAL 29 HG22 VAL 29 -12.798 4.234 4.234
212 3HG2 VAL 29 HG23 VAL 29 -12.980 4.660 4.660
213 H ASP 30 HN ASP 30 -18.288 4.045 4.045
214 HA ASP 30 HA ASP 30 -18.087 1.401 1.401
215 1HB ASP 30 HB2 ASP 30 -20.226 3.232 3.232
216 2HB ASP 30 HB3 ASP 30 -20.485 1.518 1.518
217 H SER 31 HN SER 31 -18.422 -0.468 -0.468
218 HA SER 31 HA SER 31 -18.128 0.185 0.185
219 1HB SER 31 HB2 SER 31 -15.909 -0.365 -0.365
220 2HB SER 31 HB3 SER 31 -16.211 -1.317 -1.317
221 HG SER 31 HG SER 31 -15.842 -2.194 -2.194
222 H GLY 32 HN GLY 32 -20.331 -0.774 -0.774
223 1HA GLY 32 HA1 GLY 32 -22.067 -2.197 -2.197
224 2HA GLY 32 HA2 GLY 32 -21.484 -2.705 -2.705
225 H ASN 33 HN ASN 33 -22.412 -4.836 -4.836
226 HA ASN 33 HA ASN 33 -20.749 -6.049 -6.049
227 1HB ASN 33 HB2 ASN 33 -22.757 -7.545 -7.545
228 2HB ASN 33 HB3 ASN 33 -22.319 -7.853 -7.853
229 1HD2 ASN 33 HD22 ASN 33 -25.453 -5.518 -5.518
230 2HD2 ASN 33 HD21 ASN 33 -24.567 -6.523 -6.523
231 H ASP 34 HN ASP 34 -19.801 -8.339 -8.339
232 HA ASP 34 HA ASP 34 -18.443 -8.114 -8.114
233 1HB ASP 34 HB2 ASP 34 -17.442 -8.673 -8.673
234 2HB ASP 34 HB3 ASP 34 -17.934 -10.308 -10.308
235 H ILE 35 HN ILE 35 -17.809 -10.972 -10.972
236 HA ILE 35 HA ILE 35 -20.274 -11.851 -11.851
237 HB ILE 35 HB ILE 35 -17.532 -13.112 -13.112
238 1HG1 ILE 35 HG12 ILE 35 -17.497 -12.357 -12.357
239 2HG1 ILE 35 HG13 ILE 35 -18.871 -11.339 -11.339
240 1HG2 ILE 35 HG21 ILE 35 -20.112 -13.991 -13.991
241 2HG2 ILE 35 HG22 ILE 35 -18.626 -14.244 -14.244
242 3HG2 ILE 35 HG23 ILE 35 -18.773 -14.945 -14.945
243 1HD1 ILE 35 HD11 ILE 35 -16.432 -11.217 -11.217
244 2HD1 ILE 35 HD12 ILE 35 -16.410 -10.379 -10.379
245 3HD1 ILE 35 HD13 ILE 35 -17.634 -9.951 -9.951
246 H TYR 36 HN TYR 36 -19.232 -11.773 -11.773
247 HA TYR 36 HA TYR 36 -20.290 -14.445 -14.445
248 1HB TYR 36 HB2 TYR 36 -17.943 -13.248 -13.248
249 2HB TYR 36 HB3 TYR 36 -18.964 -12.515 -12.515
250 HD1 TYR 36 HD1 TYR 36 -18.255 -15.917 -15.917
251 HD2 TYR 36 HD2 TYR 36 -19.136 -13.587 -13.587
252 HE1 TYR 36 HE1 TYR 36 -18.011 -17.987 -17.987
253 HE2 TYR 36 HE2 TYR 36 -18.887 -15.663 -15.663
254 HH TYR 36 HH TYR 36 -17.377 -18.367 -18.367
255 H GLY 37 HN GLY 37 -21.317 -11.282 -11.282
256 1HA GLY 37 HA1 GLY 37 -23.404 -10.498 -10.498
257 2HA GLY 37 HA2 GLY 37 -23.584 -11.759 -11.759
258 H ASN 38 HN ASN 38 -20.543 -10.769 -10.769
259 HA ASN 38 HA ASN 38 -21.445 -9.203 -9.203
260 1HB ASN 38 HB2 ASN 38 -18.881 -9.046 -9.046
261 2HB ASN 38 HB3 ASN 38 -19.591 -10.648 -10.648
262 1HD2 ASN 38 HD22 ASN 38 -16.511 -10.886 -10.886
263 2HD2 ASN 38 HD21 ASN 38 -16.975 -10.506 -10.506
264 HA PRO 39 HA PRO 39 -20.580 -5.303 -5.303
265 1HB PRO 39 HB2 PRO 39 -20.013 -3.759 -3.759
266 2HB PRO 39 HB3 PRO 39 -21.646 -4.171 -4.171
267 1HG PRO 39 HG2 PRO 39 -20.046 -5.256 -5.256
268 2HG PRO 39 HG3 PRO 39 -21.780 -5.327 -5.327
269 1HD PRO 39 HD2 PRO 39 -19.898 -7.452 -7.452
270 2HD PRO 39 HD3 PRO 39 -21.614 -7.487 -7.487
271 H ILE 40 HN ILE 40 -19.011 -4.451 -4.451
272 HA ILE 40 HA ILE 40 -16.372 -5.344 -5.344
273 HB ILE 40 HB ILE 40 -17.532 -3.492 -3.492
274 1HG1 ILE 40 HG12 ILE 40 -16.579 -6.368 -6.368
275 2HG1 ILE 40 HG13 ILE 40 -18.240 -5.816 -5.816
276 1HG2 ILE 40 HG23 ILE 40 -14.683 -4.461 -4.461
277 2HG2 ILE 40 HG21 ILE 40 -15.333 -3.754 -3.754
278 3HG2 ILE 40 HG22 ILE 40 -15.269 -2.779 -2.779
279 1HD1 ILE 40 HD13 ILE 40 -17.310 -4.330 -4.330
280 2HD1 ILE 40 HD11 ILE 40 -16.045 -5.581 -5.581
281 3HD1 ILE 40 HD12 ILE 40 -17.752 -6.037 -6.037
282 H LYS 41 HN LYS 41 -17.025 -1.948 -1.948
283 HA LYS 41 HA LYS 41 -16.450 -0.033 -0.033
284 1HB LYS 41 HB2 LYS 41 -17.892 -0.903 -0.903
285 2HB LYS 41 HB3 LYS 41 -16.437 -1.467 -1.467
286 1HG LYS 41 HG2 LYS 41 -15.521 0.877 0.877
287 2HG LYS 41 HG3 LYS 41 -17.008 1.427 1.427
288 1HD LYS 41 HD2 LYS 41 -17.342 -0.163 -0.163
289 2HD LYS 41 HD3 LYS 41 -16.581 1.404 1.404
290 1HE LYS 41 HE2 LYS 41 -18.560 2.313 2.313
291 2HE LYS 41 HE3 LYS 41 -19.341 0.785 0.785
292 1HZ LYS 41 HZ1 LYS 41 -18.224 2.413 2.413
293 2HZ LYS 41 HZ2 LYS 41 -19.712 2.729 2.729
294 3HZ LYS 41 HZ3 LYS 41 -19.394 1.276 1.276
295 H ARG 42 HN ARG 42 -14.509 0.926 0.926
296 HA ARG 42 HA ARG 42 -12.222 -0.481 -0.481
297 1HB ARG 42 HB2 ARG 42 -11.200 0.796 0.796
298 2HB ARG 42 HB3 ARG 42 -11.555 -0.916 -0.916
299 1HG ARG 42 HG2 ARG 42 -12.897 -0.472 -0.472
300 2HG ARG 42 HG3 ARG 42 -14.054 -0.038 -0.038
301 1HD ARG 42 HD2 ARG 42 -14.135 2.065 2.065
302 2HD ARG 42 HD3 ARG 42 -12.458 2.292 2.292
303 HE ARG 42 HE ARG 42 -11.775 1.750 1.750
304 1HH1 ARG 42 HH22 ARG 42 -15.258 1.447 1.447
305 2HH1 ARG 42 HH21 ARG 42 -15.579 1.392 1.392
306 1HH2 ARG 42 HH12 ARG 42 -12.199 1.678 1.678
307 2HH2 ARG 42 HH11 ARG 42 -13.828 1.525 1.525
308 H ILE 43 HN ILE 43 -12.753 1.223 1.223
309 HA ILE 43 HA ILE 43 -12.823 3.873 3.873
310 HB ILE 43 HB ILE 43 -12.133 1.993 1.993
311 1HG1 ILE 43 HG12 ILE 43 -12.768 4.133 4.133
312 2HG1 ILE 43 HG13 ILE 43 -13.229 4.780 4.780
313 1HG2 ILE 43 HG21 ILE 43 -9.818 2.833 2.833
314 2HG2 ILE 43 HG22 ILE 43 -10.401 4.477 4.477
315 3HG2 ILE 43 HG23 ILE 43 -10.527 3.200 3.200
316 1HD1 ILE 43 HD13 ILE 43 -14.350 2.261 2.261
317 2HD1 ILE 43 HD11 ILE 43 -14.499 2.630 2.630
318 3HD1 ILE 43 HD12 ILE 43 -15.217 3.723 3.723
319 H GLN 44 HN GLN 44 -11.242 5.639 5.639
320 HA GLN 44 HA GLN 44 -9.008 4.956 4.956
321 1HB GLN 44 HB2 GLN 44 -10.315 7.602 7.602
322 2HB GLN 44 HB3 GLN 44 -8.839 7.514 7.514
323 1HG GLN 44 HG2 GLN 44 -11.612 6.538 6.538
324 2HG GLN 44 HG3 GLN 44 -10.562 7.621 7.621
325 1HE2 GLN 44 HE22 GLN 44 -10.187 3.523 3.523
326 2HE2 GLN 44 HE21 GLN 44 -11.146 4.310 4.310
327 H TYR 45 HN TYR 45 -7.051 6.737 6.737
328 HA TYR 45 HA TYR 45 -6.548 6.653 6.653
329 1HB TYR 45 HB2 TYR 45 -5.130 5.396 5.396
330 2HB TYR 45 HB3 TYR 45 -4.082 6.149 6.149
331 HD1 TYR 45 HD2 TYR 45 -5.975 5.466 5.466
332 HD2 TYR 45 HD1 TYR 45 -4.318 3.154 3.154
333 HE1 TYR 45 HE2 TYR 45 -6.105 3.373 3.373
334 HE2 TYR 45 HE1 TYR 45 -4.452 1.069 1.069
335 HH TYR 45 HH TYR 45 -4.568 0.989 0.989
336 H GLU 46 HN GLU 46 -7.310 8.989 8.989
337 HA GLU 46 HA GLU 46 -5.673 10.602 10.602
338 1HB GLU 46 HB2 GLU 46 -8.080 10.951 10.951
339 2HB GLU 46 HB3 GLU 46 -7.140 11.727 11.727
340 1HG GLU 46 HG2 GLU 46 -6.160 13.298 13.298
341 2HG GLU 46 HG3 GLU 46 -6.877 12.441 12.441
342 H ILE 47 HN ILE 47 -3.553 9.598 9.598
343 HA ILE 47 HA ILE 47 -2.688 10.232 10.232
344 HB ILE 47 HB ILE 47 -0.495 9.537 9.537
345 1HG1 ILE 47 HG12 ILE 47 -1.828 9.782 9.782
346 2HG1 ILE 47 HG13 ILE 47 -0.257 10.360 10.360
347 1HG2 ILE 47 HG23 ILE 47 -2.856 7.992 7.992
348 2HG2 ILE 47 HG21 ILE 47 -1.924 7.378 7.378
349 3HG2 ILE 47 HG22 ILE 47 -1.173 7.460 7.460
350 1HD1 ILE 47 HD13 ILE 47 -0.163 7.550 7.550
351 2HD1 ILE 47 HD11 ILE 47 -0.963 7.798 7.798
352 3HD1 ILE 47 HD12 ILE 47 0.650 8.490 8.490
353 H LYS 48 HN LYS 48 -0.251 11.453 11.453
354 HA LYS 48 HA LYS 48 -0.877 14.058 14.058
355 1HB LYS 48 HB2 LYS 48 -1.053 13.722 13.722
356 2HB LYS 48 HB3 LYS 48 0.693 13.846 13.846
357 1HG LYS 48 HG2 LYS 48 0.612 16.046 16.046
358 2HG LYS 48 HG3 LYS 48 -1.086 15.891 15.891
359 1HD LYS 48 HD2 LYS 48 -0.380 17.288 17.288
360 2HD LYS 48 HD3 LYS 48 -1.802 16.266 16.266
361 1HE LYS 48 HE2 LYS 48 -0.627 14.527 14.527
362 2HE LYS 48 HE3 LYS 48 0.938 15.222 15.222
363 1HZ LYS 48 HZ2 LYS 48 -0.672 17.101 17.101
364 2HZ LYS 48 HZ3 LYS 48 -0.604 15.725 15.725
365 3HZ LYS 48 HZ1 LYS 48 0.774 16.492 16.492
366 H GLN 49 HN GLN 49 0.888 11.390 11.390
367 HA GLN 49 HA GLN 49 2.925 10.898 10.898
368 1HB GLN 49 HB2 GLN 49 2.284 13.432 13.432
369 2HB GLN 49 HB3 GLN 49 3.750 12.526 12.526
370 1HG GLN 49 HG2 GLN 49 1.051 11.128 11.128
371 2HG GLN 49 HG3 GLN 49 1.591 11.969 11.969
372 1HE2 GLN 49 HE22 GLN 49 4.614 9.847 9.847
373 2HE2 GLN 49 HE21 GLN 49 4.246 11.529 11.529
374 H ILE 50 HN ILE 50 4.573 10.894 10.894
375 HA ILE 50 HA ILE 50 5.730 13.511 13.511
376 HB ILE 50 HB ILE 50 5.769 12.981 12.981
377 1HG1 ILE 50 HG12 ILE 50 6.727 10.278 10.278
378 2HG1 ILE 50 HG13 ILE 50 7.584 11.507 11.507
379 1HG2 ILE 50 HG22 ILE 50 3.465 12.194 12.194
380 2HG2 ILE 50 HG23 ILE 50 4.053 10.572 10.572
381 3HG2 ILE 50 HG21 ILE 50 3.915 11.832 11.832
382 1HD1 ILE 50 HD12 ILE 50 5.477 11.021 11.021
383 2HD1 ILE 50 HD13 ILE 50 5.696 9.417 9.417
384 3HD1 ILE 50 HD11 ILE 50 7.053 10.199 10.199
385 H LYS 51 HN LYS 51 6.265 10.119 10.119
386 HA LYS 51 HA LYS 51 8.906 10.932 10.932
387 1HB LYS 51 HB2 LYS 51 8.655 9.546 9.546
388 2HB LYS 51 HB3 LYS 51 8.889 8.251 8.251
389 1HG LYS 51 HG2 LYS 51 10.987 9.131 9.131
390 2HG LYS 51 HG3 LYS 51 10.671 10.712 10.712
391 1HD LYS 51 HD2 LYS 51 10.500 9.019 9.019
392 2HD LYS 51 HD3 LYS 51 11.790 8.298 8.298
393 1HE LYS 51 HE2 LYS 51 12.834 10.638 10.638
394 2HE LYS 51 HE3 LYS 51 11.633 11.187 11.187
395 1HZ LYS 51 HZ2 LYS 51 12.881 8.835 8.835
396 2HZ LYS 51 HZ3 LYS 51 14.002 9.975 9.975
397 3HZ LYS 51 HZ1 LYS 51 12.797 10.298 10.298
398 H MET 52 HN MET 52 9.782 9.378 9.378
399 HA MET 52 HA MET 52 7.734 7.668 7.668
400 1HB MET 52 HB2 MET 52 8.244 8.666 8.666
401 2HB MET 52 HB3 MET 52 7.409 9.764 9.764
402 1HG MET 52 HG2 MET 52 9.365 11.053 11.053
403 2HG MET 52 HG3 MET 52 10.442 9.766 9.766
404 1HE MET 52 HE3 MET 52 10.681 8.847 8.847
405 2HE MET 52 HE1 MET 52 9.978 9.320 9.320
406 3HE MET 52 HE2 MET 52 11.454 10.120 10.120
407 H PHE 53 HN PHE 53 9.490 6.271 6.271
408 HA PHE 53 HA PHE 53 12.047 6.001 6.001
409 1HB PHE 53 HB2 PHE 53 9.750 3.999 3.999
410 2HB PHE 53 HB3 PHE 53 11.379 3.402 3.402
411 HD1 PHE 53 HD2 PHE 53 13.116 4.855 4.855
412 HD2 PHE 53 HD1 PHE 53 9.074 3.828 3.828
413 HE1 PHE 53 HE2 PHE 53 13.555 5.017 5.017
414 HE2 PHE 53 HE1 PHE 53 9.514 3.990 3.990
415 HZ PHE 53 HZ PHE 53 11.750 4.583 4.583
416 H LYS 54 HN LYS 54 9.818 3.758 3.758
417 HA LYS 54 HA LYS 54 11.309 4.399 4.399
418 1HB LYS 54 HB2 LYS 54 12.116 2.284 2.284
419 2HB LYS 54 HB3 LYS 54 10.510 1.709 1.709
420 1HG LYS 54 HG2 LYS 54 11.367 0.790 0.790
421 2HG LYS 54 HG3 LYS 54 9.856 1.660 1.660
422 1HD LYS 54 HD2 LYS 54 12.177 3.452 3.452
423 2HD LYS 54 HD3 LYS 54 12.233 2.138 2.138
424 1HE LYS 54 HE2 LYS 54 9.594 2.821 2.821
425 2HE LYS 54 HE3 LYS 54 10.254 4.375 4.375
426 1HZ LYS 54 HZ1 LYS 54 11.874 4.110 4.110
427 2HZ LYS 54 HZ2 LYS 54 11.138 2.730 2.730
428 3HZ LYS 54 HZ3 LYS 54 10.337 4.152 4.152
429 H GLY 55 HN GLY 55 9.568 6.018 6.018
430 1HA GLY 55 HA1 GLY 55 7.122 4.709 4.709
431 2HA GLY 55 HA2 GLY 55 7.081 6.199 6.199
432 HA PRO 56 HA PRO 56 7.475 7.371 7.371
433 1HB PRO 56 HB2 PRO 56 5.289 9.004 9.004
434 2HB PRO 56 HB3 PRO 56 5.255 7.313 7.313
435 1HG PRO 56 HG2 PRO 56 4.167 8.593 8.593
436 2HG PRO 56 HG3 PRO 56 3.785 7.023 7.023
437 1HD PRO 56 HD2 PRO 56 5.454 7.549 7.549
438 2HD PRO 56 HD3 PRO 56 5.165 5.992 5.992
439 H GLU 57 HN GLU 57 7.112 9.856 9.856
440 HA GLU 57 HA GLU 57 8.937 11.248 11.248
441 1HB GLU 57 HB2 GLU 57 8.140 12.349 12.349
442 2HB GLU 57 HB3 GLU 57 9.697 12.398 12.398
443 1HG GLU 57 HG2 GLU 57 9.858 9.867 9.867
444 2HG GLU 57 HG3 GLU 57 8.412 9.974 9.974
445 H LYS 58 HN LYS 58 5.652 11.404 11.404
446 HA LYS 58 HA LYS 58 5.190 14.097 14.097
447 1HB LYS 58 HB2 LYS 58 4.028 12.552 12.552
448 2HB LYS 58 HB3 LYS 58 2.981 12.124 12.124
449 1HG LYS 58 HG2 LYS 58 1.819 14.032 14.032
450 2HG LYS 58 HG3 LYS 58 3.209 14.932 14.932
451 1HD LYS 58 HD2 LYS 58 2.761 14.049 14.049
452 2HD LYS 58 HD3 LYS 58 2.484 15.667 15.667
453 1HE LYS 58 HE2 LYS 58 4.989 15.567 15.567
454 2HE LYS 58 HE3 LYS 58 5.131 14.202 14.202
455 1HZ LYS 58 HZ1 LYS 58 4.228 15.669 15.669
456 2HZ LYS 58 HZ2 LYS 58 4.311 16.930 16.930
457 3HZ LYS 58 HZ3 LYS 58 5.675 16.159 16.159
458 H ASP 59 HN ASP 59 3.393 11.169 11.169
459 HA ASP 59 HA ASP 59 4.002 10.825 10.825
460 1HB ASP 59 HB2 ASP 59 4.173 13.151 13.151
461 2HB ASP 59 HB3 ASP 59 2.628 13.537 13.537
462 H ILE 60 HN ILE 60 2.043 10.191 10.191
463 HA ILE 60 HA ILE 60 -0.231 9.565 9.565
464 HB ILE 60 HB ILE 60 0.268 8.178 8.178
465 1HG1 ILE 60 HG12 ILE 60 2.474 8.346 8.346
466 2HG1 ILE 60 HG13 ILE 60 1.920 6.736 6.736
467 1HG2 ILE 60 HG21 ILE 60 -1.637 7.927 7.927
468 2HG2 ILE 60 HG22 ILE 60 -0.459 6.693 6.693
469 3HG2 ILE 60 HG23 ILE 60 -1.154 6.638 6.638
470 1HD1 ILE 60 HD13 ILE 60 0.999 7.774 7.774
471 2HD1 ILE 60 HD11 ILE 60 2.739 7.427 7.427
472 3HD1 ILE 60 HD12 ILE 60 1.546 6.142 6.142
473 H GLU 61 HN GLU 61 0.119 9.747 9.747
474 HA GLU 61 HA GLU 61 -0.881 10.984 10.984
475 1HB GLU 61 HB2 GLU 61 -0.989 12.721 12.721
476 2HB GLU 61 HB3 GLU 61 -2.452 12.919 12.919
477 1HG GLU 61 HG2 GLU 61 -1.347 13.931 13.931
478 2HG GLU 61 HG3 GLU 61 -0.033 12.773 12.773
479 H PHE 62 HN PHE 62 -2.424 9.319 9.319
480 HA PHE 62 HA PHE 62 -4.827 9.080 9.080
481 1HB PHE 62 HB2 PHE 62 -4.474 10.228 10.228
482 2HB PHE 62 HB3 PHE 62 -5.620 8.902 8.902
483 HD1 PHE 62 HD1 PHE 62 -7.696 9.051 9.051
484 HD2 PHE 62 HD2 PHE 62 -5.011 12.324 12.324
485 HE1 PHE 62 HE1 PHE 62 -9.488 10.597 10.597
486 HE2 PHE 62 HE2 PHE 62 -6.803 13.870 13.870
487 HZ PHE 62 HZ PHE 62 -9.020 12.987 12.987
488 H ILE 63 HN ILE 63 -4.270 6.985 6.985
489 HA ILE 63 HA ILE 63 -3.768 5.052 5.052
490 HB ILE 63 HB ILE 63 -3.458 4.398 4.398
491 1HG1 ILE 63 HG12 ILE 63 -2.338 6.733 6.733
492 2HG1 ILE 63 HG13 ILE 63 -1.730 5.751 5.751
493 1HG2 ILE 63 HG23 ILE 63 -2.257 3.538 3.538
494 2HG2 ILE 63 HG21 ILE 63 -1.397 3.245 3.245
495 3HG2 ILE 63 HG22 ILE 63 -3.020 2.562 2.562
496 1HD1 ILE 63 HD11 ILE 63 -0.903 5.251 5.251
497 2HD1 ILE 63 HD12 ILE 63 -0.032 6.384 6.384
498 3HD1 ILE 63 HD13 ILE 63 -0.118 4.657 4.657
499 H TYR 64 HN TYR 64 -4.763 2.791 2.791
500 HA TYR 64 HA TYR 64 -7.505 3.219 3.219
501 1HB TYR 64 HB2 TYR 64 -6.272 1.667 1.667
502 2HB TYR 64 HB3 TYR 64 -7.901 1.326 1.326
503 HD1 TYR 64 HD1 TYR 64 -5.923 4.438 4.438
504 HD2 TYR 64 HD2 TYR 64 -9.542 2.237 2.237
505 HE1 TYR 64 HE1 TYR 64 -6.817 6.299 6.299
506 HE2 TYR 64 HE2 TYR 64 -10.424 4.105 4.105
507 HH TYR 64 HH TYR 64 -8.412 6.575 6.575
508 H THR 65 HN THR 65 -8.586 1.232 1.232
509 HA THR 65 HA THR 65 -7.188 -1.149 -1.149
510 HB THR 65 HB THR 65 -5.769 0.330 0.330
511 HG1 THR 65 HG1 THR 65 -6.504 -1.968 -1.968
512 1HG2 THR 65 HG23 THR 65 -8.488 1.033 1.033
513 2HG2 THR 65 HG21 THR 65 -7.173 0.805 0.805
514 3HG2 THR 65 HG22 THR 65 -7.020 2.034 2.034
515 H ALA 66 HN ALA 66 -8.343 -1.888 -1.888
516 HA ALA 66 HA ALA 66 -11.148 -1.895 -1.895
517 1HB ALA 66 HB1 ALA 66 -9.309 -3.905 -3.905
518 2HB ALA 66 HB2 ALA 66 -10.556 -3.755 -3.755
519 3HB ALA 66 HB3 ALA 66 -11.029 -4.094 -4.094
520 HA PRO 67 HA PRO 67 -12.238 0.388 0.388
521 1HB PRO 67 HB2 PRO 67 -14.824 -0.400 -0.400
522 2HB PRO 67 HB3 PRO 67 -14.357 0.775 0.775
523 1HG PRO 67 HG2 PRO 67 -15.145 -2.051 -2.051
524 2HG PRO 67 HG3 PRO 67 -15.090 -0.766 -0.766
525 1HD PRO 67 HD2 PRO 67 -13.188 -2.889 -2.889
526 2HD PRO 67 HD3 PRO 67 -13.074 -1.538 -1.538
527 H SER 68 HN SER 68 -13.583 0.141 0.141
528 HA SER 68 HA SER 68 -13.640 -0.802 -0.802
529 1HB SER 68 HB2 SER 68 -13.515 -3.126 -3.126
530 2HB SER 68 HB3 SER 68 -12.671 -3.459 -3.459
531 HG SER 68 HG SER 68 -15.133 -2.143 -2.143
532 H SER 69 HN SER 69 -11.921 -2.669 -2.669
533 HA SER 69 HA SER 69 -9.736 -1.063 -1.063
534 1HB SER 69 HB2 SER 69 -8.838 -3.203 -3.203
535 2HB SER 69 HB3 SER 69 -10.352 -2.539 -2.539
536 HG SER 69 HG SER 69 -10.044 -5.005 -5.005
537 H ALA 70 HN ALA 70 -10.268 -3.773 -3.773
538 HA ALA 70 HA ALA 70 -8.607 -3.261 -3.261
539 1HB ALA 70 HB3 ALA 70 -6.953 -4.019 -4.019
540 2HB ALA 70 HB1 ALA 70 -6.419 -4.543 -4.543
541 3HB ALA 70 HB2 ALA 70 -6.631 -2.810 -2.810
542 H VAL 71 HN VAL 71 -9.548 -4.717 -4.717
543 HA VAL 71 HA VAL 71 -9.665 -7.493 -7.493
544 HB VAL 71 HB VAL 71 -11.786 -7.669 -7.669
545 1HG1 VAL 71 HG12 VAL 71 -11.629 -5.485 -5.485
546 2HG1 VAL 71 HG13 VAL 71 -11.827 -4.653 -4.653
547 3HG1 VAL 71 HG11 VAL 71 -13.104 -5.740 -5.740
548 1HG2 VAL 71 HG22 VAL 71 -11.019 -5.957 -5.957
549 2HG2 VAL 71 HG23 VAL 71 -11.424 -7.689 -7.689
550 3HG2 VAL 71 HG21 VAL 71 -12.695 -6.473 -6.473
551 H CYS 72 HN CYS 72 -9.077 -5.232 -5.232
552 HA CYS 72 HA CYS 72 -7.635 -7.428 -7.428
553 1HB CYS 72 HB2 CYS 72 -9.055 -5.226 -5.226
554 2HB CYS 72 HB3 CYS 72 -8.301 -6.666 -6.666
555 H GLY 73 HN GLY 73 -7.072 -5.022 -5.022
556 1HA GLY 73 HA1 GLY 73 -4.651 -4.173 -4.173
557 2HA GLY 73 HA2 GLY 73 -5.817 -2.899 -2.899
558 H VAL 74 HN VAL 74 -4.312 -1.873 -1.873
559 HA VAL 74 HA VAL 74 -4.089 -3.328 -3.328
560 HB VAL 74 HB VAL 74 -2.270 -1.251 -1.251
561 1HG1 VAL 74 HG12 VAL 74 -2.294 -2.534 -2.534
562 2HG1 VAL 74 HG13 VAL 74 -0.803 -1.882 -1.882
563 3HG1 VAL 74 HG11 VAL 74 -2.193 -0.810 -0.810
564 1HG2 VAL 74 HG22 VAL 74 -2.268 -3.728 -3.728
565 2HG2 VAL 74 HG23 VAL 74 -0.722 -2.943 -2.943
566 3HG2 VAL 74 HG21 VAL 74 -1.482 -4.061 -4.061
567 H SER 75 HN SER 75 -5.844 -1.017 -1.017
568 HA SER 75 HA SER 75 -6.768 0.926 0.926
569 1HB SER 75 HB2 SER 75 -7.819 -1.272 -1.272
570 2HB SER 75 HB3 SER 75 -7.716 -0.018 -0.018
571 HG SER 75 HG SER 75 -8.764 1.372 1.372
572 H LEU 76 HN LEU 76 -4.950 2.353 2.353
573 HA LEU 76 HA LEU 76 -4.135 2.645 2.645
574 1HB LEU 76 HB2 LEU 76 -2.703 4.026 4.026
575 2HB LEU 76 HB3 LEU 76 -2.094 3.361 3.361
576 HG LEU 76 HG LEU 76 -2.897 1.091 1.091
577 1HD1 LEU 76 HD11 LEU 76 -3.042 2.954 2.954
578 2HD1 LEU 76 HD12 LEU 76 -1.364 2.387 2.387
579 3HD1 LEU 76 HD13 LEU 76 -2.710 1.224 1.224
580 1HD2 LEU 76 HD22 LEU 76 -0.502 2.276 2.276
581 2HD2 LEU 76 HD23 LEU 76 -0.830 0.562 0.562
582 3HD2 LEU 76 HD21 LEU 76 -0.165 1.622 1.622
583 H ASP 77 HN ASP 77 -4.680 4.447 4.447
584 HA ASP 77 HA ASP 77 -6.029 6.518 6.518
585 1HB ASP 77 HB2 ASP 77 -6.984 6.996 6.996
586 2HB ASP 77 HB3 ASP 77 -7.733 5.818 5.818
587 H VAL 78 HN VAL 78 -3.218 5.692 5.692
588 HA VAL 78 HA VAL 78 -1.472 6.891 6.891
589 HB VAL 78 HB VAL 78 -3.200 8.969 8.969
590 1HG1 VAL 78 HG11 VAL 78 -1.333 9.562 9.562
591 2HG1 VAL 78 HG12 VAL 78 -1.331 10.667 10.667
592 3HG1 VAL 78 HG13 VAL 78 -2.837 10.379 10.379
593 1HG2 VAL 78 HG23 VAL 78 -0.849 7.570 7.570
594 2HG2 VAL 78 HG21 VAL 78 -1.623 8.880 8.880
595 3HG2 VAL 78 HG22 VAL 78 -0.346 9.258 9.258
596 H GLY 79 HN GLY 79 -4.602 8.329 8.329
597 1HA GLY 79 HA1 GLY 79 -3.796 9.288 9.288
598 2HA GLY 79 HA2 GLY 79 -5.389 8.652 8.652
599 H GLY 80 HN GLY 80 -3.739 5.998 5.998
600 1HA GLY 80 HA1 GLY 80 -3.609 5.035 5.035
601 2HA GLY 80 HA2 GLY 80 -4.212 4.091 4.091
602 H LYS 81 HN LYS 81 -2.198 4.999 4.999
603 HA LYS 81 HA LYS 81 0.063 3.472 3.472
604 1HB LYS 81 HB2 LYS 81 0.337 3.720 3.720
605 2HB LYS 81 HB3 LYS 81 -0.142 2.298 2.298
606 1HG LYS 81 HG2 LYS 81 -2.126 4.459 4.459
607 2HG LYS 81 HG3 LYS 81 -1.767 3.066 3.066
608 1HD LYS 81 HD2 LYS 81 -2.922 1.610 1.610
609 2HD LYS 81 HD3 LYS 81 -2.407 2.408 2.408
610 1HE LYS 81 HE2 LYS 81 -4.415 3.451 3.451
611 2HE LYS 81 HE3 LYS 81 -4.089 4.273 4.273
612 1HZ LYS 81 HZ2 LYS 81 -4.961 1.516 1.516
613 2HZ LYS 81 HZ3 LYS 81 -6.077 2.636 2.636
614 3HZ LYS 81 HZ1 LYS 81 -5.275 2.759 2.759
615 H LYS 82 HN LYS 82 0.320 5.485 5.485
616 HA LYS 82 HA LYS 82 1.043 7.899 7.899
617 1HB LYS 82 HB2 LYS 82 3.598 7.663 7.663
618 2HB LYS 82 HB3 LYS 82 2.645 7.190 7.190
619 1HG LYS 82 HG2 LYS 82 2.813 4.872 4.872
620 2HG LYS 82 HG3 LYS 82 4.424 5.562 5.562
621 1HD LYS 82 HD2 LYS 82 4.749 4.771 4.771
622 2HD LYS 82 HD3 LYS 82 3.376 5.690 5.690
623 1HE LYS 82 HE2 LYS 82 1.939 3.878 3.878
624 2HE LYS 82 HE3 LYS 82 2.688 3.212 3.212
625 1HZ LYS 82 HZ1 LYS 82 4.559 3.099 3.099
626 2HZ LYS 82 HZ2 LYS 82 3.163 2.539 2.539
627 3HZ LYS 82 HZ3 LYS 82 3.782 1.851 1.851
628 H GLU 83 HN GLU 83 3.351 5.756 5.756
629 HA GLU 83 HA GLU 83 2.264 6.711 6.711
630 1HB GLU 83 HB2 GLU 83 5.238 7.069 7.069
631 2HB GLU 83 HB3 GLU 83 4.241 7.765 7.765
632 1HG GLU 83 HG2 GLU 83 4.466 9.600 9.600
633 2HG GLU 83 HG3 GLU 83 2.958 8.923 8.923
634 H TYR 84 HN TYR 84 3.060 5.455 5.455
635 HA TYR 84 HA TYR 84 4.559 3.052 3.052
636 1HB TYR 84 HB2 TYR 84 2.792 1.807 1.807
637 2HB TYR 84 HB3 TYR 84 2.149 2.480 2.480
638 HD1 TYR 84 HD2 TYR 84 2.679 3.568 3.568
639 HD2 TYR 84 HD1 TYR 84 0.105 3.558 3.558
640 HE1 TYR 84 HE2 TYR 84 0.902 4.813 4.813
641 HE2 TYR 84 HE1 TYR 84 -1.662 4.804 4.804
642 HH TYR 84 HH TYR 84 -2.048 4.872 4.872
643 H LEU 85 HN LEU 85 5.595 1.983 1.983
644 HA LEU 85 HA LEU 85 6.308 3.893 3.893
645 1HB LEU 85 HB2 LEU 85 7.932 2.139 2.139
646 2HB LEU 85 HB3 LEU 85 8.095 2.723 2.723
647 HG LEU 85 HG LEU 85 8.283 0.166 0.166
648 1HD1 LEU 85 HD11 LEU 85 7.883 1.626 1.626
649 2HD1 LEU 85 HD12 LEU 85 6.570 0.427 0.427
650 3HD1 LEU 85 HD13 LEU 85 8.260 -0.112 -0.112
651 1HD2 LEU 85 HD22 LEU 85 6.165 -0.048 -0.048
652 2HD2 LEU 85 HD23 LEU 85 6.167 -1.051 -1.051
653 3HD2 LEU 85 HD21 LEU 85 5.281 0.492 0.492
654 H ILE 86 HN ILE 86 3.638 2.075 2.075
655 HA ILE 86 HA ILE 86 2.646 0.499 0.499
656 HB ILE 86 HB ILE 86 2.084 3.319 3.319
657 1HG1 ILE 86 HG12 ILE 86 -0.172 2.589 2.589
658 2HG1 ILE 86 HG13 ILE 86 0.182 1.004 1.004
659 1HG2 ILE 86 HG23 ILE 86 1.693 1.788 1.788
660 2HG2 ILE 86 HG21 ILE 86 0.584 3.098 3.098
661 3HG2 ILE 86 HG22 ILE 86 2.317 3.436 3.436
662 1HD1 ILE 86 HD13 ILE 86 1.959 1.544 1.544
663 2HD1 ILE 86 HD11 ILE 86 0.262 1.782 1.782
664 3HD1 ILE 86 HD12 ILE 86 0.781 0.224 0.224
665 H ALA 87 HN ALA 87 3.772 -0.894 -0.894
666 HA ALA 87 HA ALA 87 4.745 0.238 0.238
667 1HB ALA 87 HB3 ALA 87 6.165 -1.321 -1.321
668 2HB ALA 87 HB1 ALA 87 6.391 -1.909 -1.909
669 3HB ALA 87 HB2 ALA 87 6.809 -0.230 -0.230
670 H GLY 88 HN GLY 88 3.309 -0.478 -0.478
671 1HA GLY 88 HA1 GLY 88 2.747 -3.364 -3.364
672 2HA GLY 88 HA2 GLY 88 1.408 -2.234 -2.234
673 H LYS 89 HN LYS 89 1.477 -3.841 -3.841
674 HA LYS 89 HA LYS 89 3.080 -3.354 -3.354
675 1HB LYS 89 HB2 LYS 89 1.130 -3.958 -3.958
676 2HB LYS 89 HB3 LYS 89 1.380 -5.044 -5.044
677 1HG LYS 89 HG2 LYS 89 -0.311 -3.047 -3.047
678 2HG LYS 89 HG3 LYS 89 -0.910 -3.288 -3.288
679 1HD LYS 89 HD2 LYS 89 -1.435 -5.559 -5.559
680 2HD LYS 89 HD3 LYS 89 -0.287 -5.718 -5.718
681 1HE LYS 89 HE2 LYS 89 -2.007 -5.386 -5.386
682 2HE LYS 89 HE3 LYS 89 -2.072 -3.722 -3.722
683 1HZ LYS 89 HZ1 LYS 89 -3.366 -5.670 -5.670
684 2HZ LYS 89 HZ2 LYS 89 -4.080 -5.377 -5.377
685 3HZ LYS 89 HZ3 LYS 89 -3.831 -4.154 -4.154
686 H ALA 90 HN ALA 90 0.477 -1.263 -1.263
687 HA ALA 90 HA ALA 90 0.278 0.959 0.959
688 1HB ALA 90 HB1 ALA 90 2.812 0.817 0.817
689 2HB ALA 90 HB2 ALA 90 2.198 1.042 1.042
690 3HB ALA 90 HB3 ALA 90 1.878 2.274 2.274
691 H GLU 91 HN GLU 91 -0.456 2.578 2.578
692 HA GLU 91 HA GLU 91 -1.790 0.983 0.983
693 1HB GLU 91 HB2 GLU 91 -3.235 1.704 1.704
694 2HB GLU 91 HB3 GLU 91 -3.263 3.269 3.269
695 1HG GLU 91 HG2 GLU 91 -5.225 1.884 1.884
696 2HG GLU 91 HG3 GLU 91 -4.231 2.285 2.285
697 H GLY 92 HN GLY 92 0.459 3.257 3.257
698 1HA GLY 92 HA1 GLY 92 1.211 4.273 4.273
699 2HA GLY 92 HA2 GLY 92 -0.375 5.020 5.020
700 H ASP 93 HN ASP 93 -0.343 7.131 7.131
701 HA ASP 93 HA ASP 93 1.387 7.777 7.777
702 1HB ASP 93 HB2 ASP 93 1.262 8.938 8.938
703 2HB ASP 93 HB3 ASP 93 1.118 10.152 10.152
704 H GLY 94 HN GLY 94 0.455 9.339 9.339
705 1HA GLY 94 HA1 GLY 94 -1.122 10.709 10.709
706 2HA GLY 94 HA2 GLY 94 -1.994 10.703 10.703
707 H LYS 95 HN LYS 95 -1.424 7.476 7.476
708 HA LYS 95 HA LYS 95 -3.158 6.841 6.841
709 1HB LYS 95 HB2 LYS 95 -5.223 6.430 6.430
710 2HB LYS 95 HB3 LYS 95 -4.756 7.951 7.951
711 1HG LYS 95 HG2 LYS 95 -4.256 5.228 5.228
712 2HG LYS 95 HG3 LYS 95 -5.664 6.216 6.216
713 1HD LYS 95 HD2 LYS 95 -2.758 7.029 7.029
714 2HD LYS 95 HD3 LYS 95 -3.909 6.576 6.576
715 1HE LYS 95 HE2 LYS 95 -3.977 9.044 9.044
716 2HE LYS 95 HE3 LYS 95 -3.851 8.992 8.992
717 1HZ LYS 95 HZ2 LYS 95 -6.073 7.978 7.978
718 2HZ LYS 95 HZ3 LYS 95 -6.183 8.198 8.198
719 3HZ LYS 95 HZ1 LYS 95 -6.069 9.489 9.489
720 H MET 96 HN MET 96 -3.140 4.597 4.597
721 HA MET 96 HA MET 96 -2.035 2.942 2.942
722 1HB MET 96 HB2 MET 96 -0.501 2.031 2.031
723 2HB MET 96 HB3 MET 96 0.061 3.282 3.282
724 1HG MET 96 HG2 MET 96 -0.033 4.906 4.906
725 2HG MET 96 HG3 MET 96 -1.585 4.356 4.356
726 1HE MET 96 HE3 MET 96 1.981 4.559 4.559
727 2HE MET 96 HE1 MET 96 1.515 5.087 5.087
728 3HE MET 96 HE2 MET 96 2.510 3.627 3.627
729 H HIS 97 HN HIS 97 -1.552 0.612 0.612
730 HA HIS 97 HA HIS 97 -4.100 0.202 0.202
731 1HB HIS 97 HB2 HIS 97 -3.105 -1.079 -1.079
732 2HB HIS 97 HB3 HIS 97 -3.548 -2.233 -2.233
733 HD1 HIS 97 HD1 HIS 97 -5.502 -2.847 -2.847
734 HD2 HIS 97 HD2 HIS 97 -5.818 0.867 0.867
735 HE1 HIS 97 HE1 HIS 97 -7.910 -2.074 -2.074
736 H ILE 98 HN ILE 98 -3.884 -0.727 -0.727
737 HA ILE 98 HA ILE 98 -1.497 -2.322 -2.322
738 HB ILE 98 HB ILE 98 -0.919 -1.137 -1.137
739 1HG1 ILE 98 HG12 ILE 98 -3.409 0.482 0.482
740 2HG1 ILE 98 HG13 ILE 98 -2.988 -0.432 -0.432
741 1HG2 ILE 98 HG22 ILE 98 -0.330 -0.283 -0.283
742 2HG2 ILE 98 HG23 ILE 98 -1.234 1.148 1.148
743 3HG2 ILE 98 HG21 ILE 98 0.192 0.593 0.593
744 1HD1 ILE 98 HD12 ILE 98 -0.974 1.625 1.625
745 2HD1 ILE 98 HD13 ILE 98 -2.582 2.291 2.291
746 3HD1 ILE 98 HD11 ILE 98 -1.746 1.274 1.274
747 H THR 99 HN THR 99 -1.876 -4.061 -4.061
748 HA THR 99 HA THR 99 -4.450 -4.104 -4.104
749 HB THR 99 HB THR 99 -4.463 -6.612 -6.612
750 HG1 THR 99 HG1 THR 99 -3.404 -6.551 -6.551
751 1HG2 THR 99 HG22 THR 99 -5.489 -4.085 -4.085
752 2HG2 THR 99 HG23 THR 99 -5.161 -5.285 -5.285
753 3HG2 THR 99 HG21 THR 99 -6.270 -5.684 -5.684
754 H LEU 100 HN LEU 100 -4.553 -6.004 -6.004
755 HA LEU 100 HA LEU 100 -2.381 -5.796 -5.796
756 1HB LEU 100 HB2 LEU 100 -3.589 -7.108 -7.108
757 2HB LEU 100 HB3 LEU 100 -4.848 -6.434 -6.434
758 HG LEU 100 HG LEU 100 -3.671 -9.112 -9.112
759 1HD1 LEU 100 HD11 LEU 100 -5.147 -8.478 -8.478
760 2HD1 LEU 100 HD12 LEU 100 -5.935 -9.731 -9.731
761 3HD1 LEU 100 HD13 LEU 100 -4.250 -9.945 -9.945
762 1HD2 LEU 100 HD21 LEU 100 -5.670 -7.483 -7.483
763 2HD2 LEU 100 HD22 LEU 100 -5.303 -9.177 -9.177
764 3HD2 LEU 100 HD23 LEU 100 -6.535 -8.805 -8.805
765 H CYS 101 HN CYS 101 -3.276 -8.280 -8.280
766 HA CYS 101 HA CYS 101 -1.236 -10.061 -10.061
767 1HB CYS 101 HB2 CYS 101 -3.374 -10.200 -10.200
768 2HB CYS 101 HB3 CYS 101 -2.158 -9.883 -9.883
769 H ASP 102 HN ASP 102 -1.425 -7.097 -7.097
770 HA ASP 102 HA ASP 102 1.015 -7.527 -7.527
771 1HB ASP 102 HB2 ASP 102 -1.036 -5.869 -5.869
772 2HB ASP 102 HB3 ASP 102 -0.102 -4.769 -4.769
773 H PHE 103 HN PHE 103 2.894 -5.815 -5.815
774 HA PHE 103 HA PHE 103 3.759 -5.973 -5.973
775 1HB PHE 103 HB2 PHE 103 5.381 -6.043 -6.043
776 2HB PHE 103 HB3 PHE 103 4.653 -4.673 -4.673
777 HD1 PHE 103 HD2 PHE 103 5.153 -4.426 -4.426
778 HD2 PHE 103 HD1 PHE 103 6.905 -3.687 -3.687
779 HE1 PHE 103 HE2 PHE 103 6.829 -2.897 -2.897
780 HE2 PHE 103 HE1 PHE 103 8.582 -2.157 -2.157
781 HZ PHE 103 HZ PHE 103 8.524 -1.781 -1.781
782 H ILE 104 HN ILE 104 3.223 -4.644 -4.644
783 HA ILE 104 HA ILE 104 3.231 -1.829 -1.829
784 HB ILE 104 HB ILE 104 0.796 -1.657 -1.657
785 1HG1 ILE 104 HG12 ILE 104 0.663 -4.326 -4.326
786 2HG1 ILE 104 HG13 ILE 104 0.446 -4.082 -4.082
787 1HG2 ILE 104 HG22 ILE 104 1.983 -1.178 -1.178
788 2HG2 ILE 104 HG23 ILE 104 0.744 -2.359 -2.359
789 3HG2 ILE 104 HG21 ILE 104 0.264 -0.861 -0.861
790 1HD1 ILE 104 HD12 ILE 104 -1.462 -2.476 -2.476
791 2HD1 ILE 104 HD13 ILE 104 -1.311 -3.001 -3.001
792 3HD1 ILE 104 HD11 ILE 104 -1.759 -4.177 -4.177
793 H VAL 105 HN VAL 105 3.668 -0.832 -0.832
794 HA VAL 105 HA VAL 105 3.019 -2.156 -2.156
795 HB VAL 105 HB VAL 105 5.707 -1.811 -1.811
796 1HG1 VAL 105 HG12 VAL 105 4.027 -3.707 -3.707
797 2HG1 VAL 105 HG13 VAL 105 4.616 -4.471 -4.471
798 3HG1 VAL 105 HG11 VAL 105 5.753 -4.109 -4.109
799 1HG2 VAL 105 HG23 VAL 105 5.320 -2.932 -2.932
800 2HG2 VAL 105 HG21 VAL 105 6.266 -1.502 -1.502
801 3HG2 VAL 105 HG22 VAL 105 6.808 -3.128 -3.128
802 HA PRO 106 HA PRO 106 3.190 1.968 1.968
803 1HB PRO 106 HB2 PRO 106 3.547 1.743 1.743
804 2HB PRO 106 HB3 PRO 106 1.995 1.519 1.519
805 1HG PRO 106 HG2 PRO 106 3.822 -0.521 -0.521
806 2HG PRO 106 HG3 PRO 106 2.120 -0.667 -0.667
807 1HD PRO 106 HD2 PRO 106 4.325 -1.679 -1.679
808 2HD PRO 106 HD3 PRO 106 2.631 -1.722 -1.722
809 H TRP 107 HN TRP 107 5.819 0.333 0.333
810 HA TRP 107 HA TRP 107 7.940 0.949 0.949
811 1HB TRP 107 HB2 TRP 107 6.939 3.202 3.202
812 2HB TRP 107 HB3 TRP 107 7.226 3.657 3.657
813 HD1 TRP 107 HD1 TRP 107 9.652 1.827 1.827
814 HE1 TRP 107 HE1 TRP 107 11.955 3.107 3.107
815 HE3 TRP 107 HE3 TRP 107 8.318 5.648 5.648
816 HZ2 TRP 107 HZ2 TRP 107 12.938 5.520 5.520
817 HZ3 TRP 107 HZ3 TRP 107 10.008 7.426 7.426
818 HH2 TRP 107 HH2 TRP 107 12.251 7.405 7.405
819 H ASP 108 HN ASP 108 6.610 2.520 2.520
820 HA ASP 108 HA ASP 108 8.898 1.909 1.909
821 1HB ASP 108 HB2 ASP 108 7.245 3.722 3.722
822 2HB ASP 108 HB3 ASP 108 6.050 2.502 2.502
823 H THR 109 HN THR 109 8.427 -0.506 -0.506
824 HA THR 109 HA THR 109 7.813 -2.198 -2.198
825 HB THR 109 HB THR 109 6.019 -3.431 -3.431
826 HG1 THR 109 HG1 THR 109 6.195 -2.284 -2.284
827 1HG2 THR 109 HG22 THR 109 5.523 -1.886 -1.886
828 2HG2 THR 109 HG23 THR 109 5.208 -0.612 -0.612
829 3HG2 THR 109 HG21 THR 109 4.213 -2.088 -2.088
830 H LEU 110 HN LEU 110 8.128 -2.143 -2.143
831 HA LEU 110 HA LEU 110 8.995 -4.053 -4.053
832 1HB LEU 110 HB2 LEU 110 11.259 -2.253 -2.253
833 2HB LEU 110 HB3 LEU 110 11.263 -3.318 -3.318
834 HG LEU 110 HG LEU 110 9.341 -1.003 -1.003
835 1HD1 LEU 110 HD13 LEU 110 11.861 -0.455 -0.455
836 2HD1 LEU 110 HD11 LEU 110 11.698 -0.988 -0.988
837 3HD1 LEU 110 HD12 LEU 110 10.721 0.373 0.373
838 1HD2 LEU 110 HD23 LEU 110 9.223 -3.207 -3.207
839 2HD2 LEU 110 HD21 LEU 110 8.312 -1.683 -1.683
840 3HD2 LEU 110 HD22 LEU 110 9.854 -1.880 -1.880
841 H SER 111 HN SER 111 12.033 -3.745 -3.745
842 HA SER 111 HA SER 111 12.155 -5.129 -5.129
843 1HB SER 111 HB2 SER 111 11.110 -7.018 -7.018
844 2HB SER 111 HB3 SER 111 12.295 -7.654 -7.654
845 HG SER 111 HG SER 111 9.650 -7.236 -7.236
846 H THR 112 HN THR 112 13.089 -5.493 -5.493
847 HA THR 112 HA THR 112 15.595 -4.642 -4.642
848 HB THR 112 HB THR 112 15.389 -7.245 -7.245
849 HG1 THR 112 HG1 THR 112 17.322 -6.165 -6.165
850 1HG2 THR 112 HG23 THR 112 17.709 -6.601 -6.601
851 2HG2 THR 112 HG21 THR 112 17.701 -7.895 -7.895
852 3HG2 THR 112 HG22 THR 112 16.600 -7.982 -7.982
853 H THR 113 HN THR 113 14.311 -7.930 -7.930
854 HA THR 113 HA THR 113 15.470 -8.061 -8.061
855 HB THR 113 HB THR 113 12.826 -9.158 -9.158
856 HG1 THR 113 HG1 THR 113 14.867 -9.761 -9.761
857 1HG2 THR 113 HG22 THR 113 14.373 -9.699 -9.699
858 2HG2 THR 113 HG23 THR 113 13.523 -11.032 -11.032
859 3HG2 THR 113 HG21 THR 113 12.610 -9.618 -9.618
860 H GLN 114 HN GLN 114 12.890 -5.971 -5.971
861 HA GLN 114 HA GLN 114 12.007 -5.531 -5.531
862 1HB GLN 114 HB2 GLN 114 11.098 -4.678 -4.678
863 2HB GLN 114 HB3 GLN 114 10.635 -3.676 -3.676
864 1HG GLN 114 HG2 GLN 114 8.871 -5.150 -5.150
865 2HG GLN 114 HG3 GLN 114 10.011 -6.100 -6.100
866 1HE2 GLN 114 HE22 GLN 114 10.903 -8.257 -8.257
867 2HE2 GLN 114 HE21 GLN 114 11.657 -7.279 -7.279
868 H LYS 115 HN LYS 115 13.912 -3.938 -3.938
869 HA LYS 115 HA LYS 115 14.129 -1.450 -1.450
870 1HB LYS 115 HB2 LYS 115 15.202 -2.772 -2.772
871 2HB LYS 115 HB3 LYS 115 16.356 -1.690 -1.690
872 1HG LYS 115 HG2 LYS 115 15.062 0.203 0.203
873 2HG LYS 115 HG3 LYS 115 13.546 -0.665 -0.665
874 1HD LYS 115 HD2 LYS 115 15.444 -0.664 -0.664
875 2HD LYS 115 HD3 LYS 115 13.809 -0.034 -0.034
876 1HE LYS 115 HE2 LYS 115 13.128 -2.503 -2.503
877 2HE LYS 115 HE3 LYS 115 14.709 -2.934 -2.934
878 1HZ LYS 115 HZ3 LYS 115 13.961 -1.520 -1.520
879 2HZ LYS 115 HZ1 LYS 115 12.452 -1.777 -1.777
880 3HZ LYS 115 HZ2 LYS 115 13.394 -3.044 -3.044
881 H LYS 116 HN LYS 116 16.039 -4.493 -4.493
882 HA LYS 116 HA LYS 116 18.191 -3.462 -3.462
883 1HB LYS 116 HB2 LYS 116 18.832 -5.734 -5.734
884 2HB LYS 116 HB3 LYS 116 18.141 -5.605 -5.605
885 1HG LYS 116 HG2 LYS 116 16.541 -7.131 -7.131
886 2HG LYS 116 HG3 LYS 116 16.009 -6.184 -6.184
887 1HD LYS 116 HD2 LYS 116 18.575 -7.563 -7.563
888 2HD LYS 116 HD3 LYS 116 17.281 -8.679 -8.679
889 1HE LYS 116 HE2 LYS 116 16.296 -8.373 -8.373
890 2HE LYS 116 HE3 LYS 116 16.299 -6.631 -6.631
891 1HZ LYS 116 HZ2 LYS 116 18.856 -7.824 -7.824
892 2HZ LYS 116 HZ3 LYS 116 17.771 -7.892 -7.892
893 3HZ LYS 116 HZ1 LYS 116 18.199 -6.449 -6.449
894 H SER 117 HN SER 117 14.891 -3.923 -3.923
895 HA SER 117 HA SER 117 15.568 -4.218 -4.218
896 1HB SER 117 HB2 SER 117 13.482 -5.228 -5.228
897 2HB SER 117 HB3 SER 117 12.709 -3.966 -3.966
898 HG SER 117 HG SER 117 13.840 -5.020 -5.020
899 H LEU 118 HN LEU 118 15.006 -1.809 -1.809
900 HA LEU 118 HA LEU 118 13.676 0.027 0.027
901 1HB LEU 118 HB2 LEU 118 14.485 0.013 0.013
902 2HB LEU 118 HB3 LEU 118 14.217 1.552 1.552
903 HG LEU 118 HG LEU 118 12.039 -0.320 -0.320
904 1HD1 LEU 118 HD11 LEU 118 12.809 0.238 0.238
905 2HD1 LEU 118 HD12 LEU 118 11.129 -0.099 -0.099
906 3HD1 LEU 118 HD13 LEU 118 12.398 -1.314 -1.314
907 1HD2 LEU 118 HD21 LEU 118 12.310 2.322 2.322
908 2HD2 LEU 118 HD22 LEU 118 10.742 1.541 1.541
909 3HD2 LEU 118 HD23 LEU 118 11.681 2.217 2.217
910 H ASN 119 HN ASN 119 16.739 -1.208 -1.208
911 HA ASN 119 HA ASN 119 18.227 1.183 1.183
912 1HB ASN 119 HB2 ASN 119 18.761 -1.739 -1.739
913 2HB ASN 119 HB3 ASN 119 19.940 -0.547 -0.547
914 1HD2 ASN 119 HD22 ASN 119 19.740 -1.820 -1.820
915 2HD2 ASN 119 HD21 ASN 119 18.865 -2.498 -2.498
916 H HIS 120 HN HIS 120 17.457 -1.381 -1.381
917 HA HIS 120 HA HIS 120 18.338 0.178 0.178
918 1HB HIS 120 HB2 HIS 120 16.852 -2.382 -2.382
919 2HB HIS 120 HB3 HIS 120 16.737 -1.608 -1.608
920 HD1 HIS 120 HD1 HIS 120 18.278 -2.926 -2.926
921 HD2 HIS 120 HD2 HIS 120 20.023 -1.999 -1.999
922 HE1 HIS 120 HE1 HIS 120 20.693 -3.741 -3.741
923 H ARG 121 HN ARG 121 15.091 -1.082 -1.082
924 HA ARG 121 HA ARG 121 13.867 1.436 1.436
925 1HB ARG 121 HB2 ARG 121 13.167 0.729 0.729
926 2HB ARG 121 HB3 ARG 121 13.767 2.255 2.255
927 1HG ARG 121 HG2 ARG 121 15.801 0.072 0.072
928 2HG ARG 121 HG3 ARG 121 15.172 0.631 0.631
929 1HD ARG 121 HD2 ARG 121 15.619 3.031 3.031
930 2HD ARG 121 HD3 ARG 121 16.931 2.034 2.034
931 HE ARG 121 HE ARG 121 16.763 3.170 3.170
932 1HH1 ARG 121 HH22 ARG 121 17.617 0.125 0.125
933 2HH1 ARG 121 HH21 ARG 121 18.719 -0.347 -0.347
934 1HH2 ARG 121 HH12 ARG 121 18.216 2.547 2.547
935 2HH2 ARG 121 HH11 ARG 121 19.061 1.040 1.040
936 H TYR 122 HN TYR 122 13.155 -1.222 -1.222
937 HA TYR 122 HA TYR 122 10.985 -2.097 -2.097
938 1HB TYR 122 HB2 TYR 122 9.648 -2.333 -2.333
939 2HB TYR 122 HB3 TYR 122 10.136 -0.670 -0.670
940 HD1 TYR 122 HD2 TYR 122 11.232 -3.785 -3.785
941 HD2 TYR 122 HD1 TYR 122 11.222 0.494 0.494
942 HE1 TYR 122 HE2 TYR 122 12.320 -3.744 -3.744
943 HE2 TYR 122 HE1 TYR 122 12.309 0.519 0.519
944 HH TYR 122 HH TYR 122 12.344 -2.048 -2.048
945 H GLN 123 HN GLN 123 13.895 -2.960 -2.960
946 HA GLN 123 HA GLN 123 13.318 -5.693 -5.693
947 1HB GLN 123 HB2 GLN 123 12.816 -4.910 -4.910
948 2HB GLN 123 HB3 GLN 123 14.557 -5.026 -5.026
949 1HG GLN 123 HG2 GLN 123 13.667 -7.374 -7.374
950 2HG GLN 123 HG3 GLN 123 12.609 -7.163 -7.163
951 1HE2 GLN 123 HE22 GLN 123 15.144 -9.154 -9.154
952 2HE2 GLN 123 HE21 GLN 123 13.674 -9.204 -9.204
953 H MET 124 HN MET 124 14.839 -5.055 -5.055
954 HA MET 124 HA MET 124 17.405 -4.148 -4.148
955 1HB MET 124 HB2 MET 124 15.842 -4.660 -4.660
956 2HB MET 124 HB3 MET 124 17.183 -5.778 -5.778
957 1HG MET 124 HG2 MET 124 18.054 -3.084 -3.084
958 2HG MET 124 HG3 MET 124 17.225 -3.058 -3.058
959 1HE MET 124 HE2 MET 124 19.447 -4.935 -4.935
960 2HE MET 124 HE3 MET 124 20.999 -4.427 -4.427
961 3HE MET 124 HE1 MET 124 20.349 -6.048 -6.048
962 H GLY 125 HN GLY 125 17.269 -6.005 -6.005
963 1HA GLY 125 HA1 GLY 125 18.071 -7.952 -7.952
964 2HA GLY 125 HA2 GLY 125 19.437 -7.613 -7.613
965 H CYS 126 HN CYS 126 16.247 -8.101 -8.101
966 HA CYS 126 HA CYS 126 17.179 -10.155 -10.155
967 1HB CYS 126 HB2 CYS 126 15.159 -10.064 -10.064
968 2HB CYS 126 HB3 CYS 126 15.148 -8.507 -8.507
969 H GLU 127 HN GLU 127 15.179 -12.166 -12.166
970 HA GLU 127 HA GLU 127 14.616 -13.144 -13.144
971 1HB GLU 127 HB2 GLU 127 17.099 -13.366 -13.366
972 2HB GLU 127 HB3 GLU 127 17.122 -14.402 -14.402
973 1HG GLU 127 HG2 GLU 127 15.300 -15.797 -15.797
974 2HG GLU 127 HG3 GLU 127 16.006 -14.973 -14.973
Start of MODEL 33
1 H CYS 1 HN CYS 1 -7.558 -9.229 -9.229
2 HA CYS 1 HA CYS 1 -9.786 -9.234 -9.234
3 1HB CYS 1 HB2 CYS 1 -9.191 -11.095 -11.095
4 2HB CYS 1 HB3 CYS 1 -10.748 -10.838 -10.838
5 H SER 2 HN SER 2 -8.909 -9.950 -9.950
6 HA SER 2 HA SER 2 -8.153 -11.355 -11.355
7 1HB SER 2 HB2 SER 2 -9.175 -13.871 -13.871
8 2HB SER 2 HB3 SER 2 -9.924 -12.725 -12.725
9 HG SER 2 HG SER 2 -10.619 -13.389 -13.389
10 H CYS 3 HN CYS 3 -6.539 -11.057 -11.057
11 HA CYS 3 HA CYS 3 -5.413 -13.585 -13.585
12 1HB CYS 3 HB2 CYS 3 -5.398 -11.148 -11.148
13 2HB CYS 3 HB3 CYS 3 -3.782 -11.189 -11.189
14 H SER 4 HN SER 4 -2.982 -14.019 -14.019
15 HA SER 4 HA SER 4 -2.447 -13.293 -13.293
16 1HB SER 4 HB2 SER 4 -1.036 -15.254 -15.254
17 2HB SER 4 HB3 SER 4 -2.539 -15.725 -15.725
18 HG SER 4 HG SER 4 0.045 -15.312 -15.312
19 HA PRO 5 HA PRO 5 0.631 -10.676 -10.676
20 1HB PRO 5 HB2 PRO 5 1.076 -9.128 -9.128
21 2HB PRO 5 HB3 PRO 5 -0.174 -8.780 -8.780
22 1HG PRO 5 HG2 PRO 5 -0.450 -9.915 -9.915
23 2HG PRO 5 HG3 PRO 5 -1.675 -9.175 -9.175
24 1HD PRO 5 HD2 PRO 5 -1.312 -11.979 -11.979
25 2HD PRO 5 HD3 PRO 5 -2.462 -11.245 -11.245
26 H VAL 6 HN VAL 6 2.564 -11.484 -11.484
27 HA VAL 6 HA VAL 6 4.245 -12.073 -12.073
28 HB VAL 6 HB VAL 6 3.051 -14.157 -14.157
29 1HG1 VAL 6 HG13 VAL 6 3.853 -13.289 -13.289
30 2HG1 VAL 6 HG11 VAL 6 4.632 -14.854 -14.854
31 3HG1 VAL 6 HG12 VAL 6 2.862 -14.697 -14.697
32 1HG2 VAL 6 HG23 VAL 6 5.928 -13.742 -13.742
33 2HG2 VAL 6 HG21 VAL 6 4.857 -14.956 -14.956
34 3HG2 VAL 6 HG22 VAL 6 5.546 -15.244 -15.244
35 H HIS 7 HN HIS 7 5.895 -13.476 -13.476
36 HA HIS 7 HA HIS 7 7.762 -12.785 -12.785
37 1HB HIS 7 HB2 HIS 7 7.078 -11.048 -11.048
38 2HB HIS 7 HB3 HIS 7 6.678 -12.753 -12.753
39 HD1 HIS 7 HD1 HIS 7 4.274 -13.255 -13.255
40 HD2 HIS 7 HD2 HIS 7 4.790 -9.480 -9.480
41 HE1 HIS 7 HE1 HIS 7 1.961 -12.178 -12.178
42 HA PRO 8 HA PRO 8 8.719 -9.138 -9.138
43 1HB PRO 8 HB2 PRO 8 11.245 -9.892 -9.892
44 2HB PRO 8 HB3 PRO 8 9.826 -10.262 -10.262
45 1HG PRO 8 HG2 PRO 8 11.412 -12.056 -12.056
46 2HG PRO 8 HG3 PRO 8 10.280 -12.475 -12.475
47 1HD PRO 8 HD2 PRO 8 9.812 -12.605 -12.605
48 2HD PRO 8 HD3 PRO 8 8.645 -12.912 -12.912
49 H GLN 9 HN GLN 9 10.504 -10.667 -10.667
50 HA GLN 9 HA GLN 9 11.512 -8.010 -8.010
51 1HB GLN 9 HB2 GLN 9 13.398 -9.414 -9.414
52 2HB GLN 9 HB3 GLN 9 12.708 -10.770 -10.770
53 1HG GLN 9 HG2 GLN 9 13.959 -10.073 -10.073
54 2HG GLN 9 HG3 GLN 9 12.766 -8.805 -8.805
55 1HE2 GLN 9 HE22 GLN 9 14.861 -6.604 -6.604
56 2HE2 GLN 9 HE21 GLN 9 13.344 -7.421 -7.421
57 H GLN 10 HN GLN 10 9.880 -10.982 -10.982
58 HA GLN 10 HA GLN 10 9.878 -10.383 -10.383
59 1HB GLN 10 HB2 GLN 10 9.103 -12.506 -12.506
60 2HB GLN 10 HB3 GLN 10 8.620 -12.306 -12.306
61 1HG GLN 10 HG2 GLN 10 6.565 -12.714 -12.714
62 2HG GLN 10 HG3 GLN 10 6.583 -10.968 -10.968
63 1HE2 GLN 10 HE22 GLN 10 5.559 -11.875 -11.875
64 2HE2 GLN 10 HE21 GLN 10 5.004 -12.192 -12.192
65 H ALA 11 HN ALA 11 8.423 -8.728 -8.728
66 HA ALA 11 HA ALA 11 6.067 -7.898 -7.898
67 1HB ALA 11 HB1 ALA 11 7.133 -7.793 -7.793
68 2HB ALA 11 HB2 ALA 11 6.430 -6.237 -6.237
69 3HB ALA 11 HB3 ALA 11 5.447 -7.719 -7.719
70 H PHE 12 HN PHE 12 9.360 -6.717 -6.717
71 HA PHE 12 HA PHE 12 8.772 -4.155 -4.155
72 1HB PHE 12 HB2 PHE 12 11.264 -5.527 -5.527
73 2HB PHE 12 HB3 PHE 12 11.277 -3.872 -3.872
74 HD1 PHE 12 HD1 PHE 12 8.877 -5.798 -5.798
75 HD2 PHE 12 HD2 PHE 12 11.421 -2.419 -2.419
76 HE1 PHE 12 HE1 PHE 12 8.126 -5.002 -5.002
77 HE2 PHE 12 HE2 PHE 12 10.671 -1.623 -1.623
78 HZ PHE 12 HZ PHE 12 9.033 -2.923 -2.923
79 H CYS 13 HN CYS 13 9.412 -7.227 -7.227
80 HA CYS 13 HA CYS 13 11.087 -6.212 -6.212
81 1HB CYS 13 HB2 CYS 13 10.643 -8.936 -8.936
82 2HB CYS 13 HB3 CYS 13 11.135 -8.790 -8.790
83 H ASN 14 HN ASN 14 7.867 -6.929 -6.929
84 HA ASN 14 HA ASN 14 7.081 -7.635 -7.635
85 1HB ASN 14 HB2 ASN 14 6.149 -8.384 -8.384
86 2HB ASN 14 HB3 ASN 14 4.918 -7.276 -7.276
87 1HD2 ASN 14 HD22 ASN 14 5.605 -10.912 -10.912
88 2HD2 ASN 14 HD21 ASN 14 6.751 -10.185 -10.185
89 H ALA 15 HN ALA 15 6.581 -5.195 -5.195
90 HA ALA 15 HA ALA 15 4.676 -3.616 -3.616
91 1HB ALA 15 HB1 ALA 15 7.003 -2.933 -2.933
92 2HB ALA 15 HB2 ALA 15 5.682 -1.805 -1.805
93 3HB ALA 15 HB3 ALA 15 5.331 -3.325 -3.325
94 H ASP 16 HN ASP 16 5.175 -1.236 -1.236
95 HA ASP 16 HA ASP 16 7.556 -1.167 -1.167
96 1HB ASP 16 HB2 ASP 16 4.752 -1.390 -1.390
97 2HB ASP 16 HB3 ASP 16 5.768 -0.206 -0.206
98 H VAL 17 HN VAL 17 5.909 0.184 0.184
99 HA VAL 17 HA VAL 17 6.707 2.835 2.835
100 HB VAL 17 HB VAL 17 4.756 2.983 2.983
101 1HG1 VAL 17 HG12 VAL 17 3.445 1.425 1.425
102 2HG1 VAL 17 HG13 VAL 17 2.470 2.440 2.440
103 3HG1 VAL 17 HG11 VAL 17 3.453 1.111 1.111
104 1HG2 VAL 17 HG21 VAL 17 5.192 4.791 4.791
105 2HG2 VAL 17 HG22 VAL 17 3.567 4.741 4.741
106 3HG2 VAL 17 HG23 VAL 17 3.835 4.078 4.078
107 H VAL 18 HN VAL 18 7.908 2.480 2.480
108 HA VAL 18 HA VAL 18 6.307 2.013 2.013
109 HB VAL 18 HB VAL 18 9.271 2.226 2.226
110 1HG1 VAL 18 HG13 VAL 18 7.099 1.024 1.024
111 2HG1 VAL 18 HG11 VAL 18 8.452 -0.099 -0.099
112 3HG1 VAL 18 HG12 VAL 18 8.747 1.477 1.477
113 1HG2 VAL 18 HG22 VAL 18 8.128 0.715 0.715
114 2HG2 VAL 18 HG23 VAL 18 9.763 0.513 0.513
115 3HG2 VAL 18 HG21 VAL 18 8.416 -0.472 -0.472
116 H ILE 19 HN ILE 19 5.605 3.744 3.744
117 HA ILE 19 HA ILE 19 7.382 6.046 6.046
118 HB ILE 19 HB ILE 19 5.697 7.615 7.615
119 1HG1 ILE 19 HG12 ILE 19 3.869 5.268 5.268
120 2HG1 ILE 19 HG13 ILE 19 3.647 6.911 6.911
121 1HG2 ILE 19 HG21 ILE 19 7.021 6.359 6.359
122 2HG2 ILE 19 HG22 ILE 19 5.478 5.549 5.549
123 3HG2 ILE 19 HG23 ILE 19 5.607 7.319 7.319
124 1HD1 ILE 19 HD13 ILE 19 3.470 7.656 7.656
125 2HD1 ILE 19 HD11 ILE 19 3.505 5.938 5.938
126 3HD1 ILE 19 HD12 ILE 19 2.166 6.564 6.564
127 H ARG 20 HN ARG 20 7.573 6.709 6.709
128 HA ARG 20 HA ARG 20 6.034 5.341 5.341
129 1HB ARG 20 HB2 ARG 20 7.986 7.670 7.670
130 2HB ARG 20 HB3 ARG 20 7.426 6.596 6.596
131 1HG ARG 20 HG2 ARG 20 8.662 4.756 4.756
132 2HG ARG 20 HG3 ARG 20 8.747 5.399 5.399
133 1HD ARG 20 HD2 ARG 20 10.898 5.503 5.503
134 2HD ARG 20 HD3 ARG 20 10.492 6.899 6.899
135 HE ARG 20 HE ARG 20 9.159 7.323 7.323
136 1HH1 ARG 20 HH22 ARG 20 12.498 6.816 6.816
137 2HH1 ARG 20 HH21 ARG 20 13.159 7.741 7.741
138 1HH2 ARG 20 HH12 ARG 20 10.030 8.543 8.543
139 2HH2 ARG 20 HH11 ARG 20 11.746 8.730 8.730
140 H THR 21 HN THR 21 4.414 6.985 6.985
141 HA THR 21 HA THR 21 3.815 9.505 9.505
142 HB THR 21 HB THR 21 3.058 8.747 8.747
143 HG1 THR 21 HG1 THR 21 1.226 9.905 9.905
144 1HG2 THR 21 HG23 THR 21 2.675 6.275 6.275
145 2HG2 THR 21 HG21 THR 21 1.062 6.885 6.885
146 3HG2 THR 21 HG22 THR 21 1.591 6.917 6.917
147 H LYS 22 HN LYS 22 1.481 10.002 10.002
148 HA LYS 22 HA LYS 22 0.993 8.141 8.141
149 1HB LYS 22 HB2 LYS 22 0.774 9.994 9.994
150 2HB LYS 22 HB3 LYS 22 2.368 10.007 10.007
151 1HG LYS 22 HG2 LYS 22 1.743 11.800 11.800
152 2HG LYS 22 HG3 LYS 22 0.056 11.677 11.677
153 1HD LYS 22 HD2 LYS 22 2.368 12.678 12.678
154 2HD LYS 22 HD3 LYS 22 0.960 13.579 13.579
155 1HE LYS 22 HE2 LYS 22 -0.444 11.836 11.836
156 2HE LYS 22 HE3 LYS 22 1.073 11.338 11.338
157 1HZ LYS 22 HZ2 LYS 22 1.374 13.757 13.757
158 2HZ LYS 22 HZ3 LYS 22 -0.200 13.968 13.968
159 3HZ LYS 22 HZ1 LYS 22 0.216 12.971 12.971
160 H ALA 23 HN ALA 23 -1.047 7.389 7.389
161 HA ALA 23 HA ALA 23 -2.962 8.894 8.894
162 1HB ALA 23 HB3 ALA 23 -2.621 6.473 6.473
163 2HB ALA 23 HB1 ALA 23 -3.103 6.130 6.130
164 3HB ALA 23 HB2 ALA 23 -4.283 6.821 6.821
165 H VAL 24 HN VAL 24 -3.771 10.600 10.600
166 HA VAL 24 HA VAL 24 -4.624 10.002 10.002
167 HB VAL 24 HB VAL 24 -4.870 12.569 12.569
168 1HG1 VAL 24 HG11 VAL 24 -2.315 10.986 10.986
169 2HG1 VAL 24 HG12 VAL 24 -2.262 12.753 12.753
170 3HG1 VAL 24 HG13 VAL 24 -3.188 11.750 11.750
171 1HG2 VAL 24 HG21 VAL 24 -4.613 12.647 12.647
172 2HG2 VAL 24 HG22 VAL 24 -3.702 13.841 13.841
173 3HG2 VAL 24 HG23 VAL 24 -2.873 12.411 12.411
174 H SER 25 HN SER 25 -5.706 11.038 11.038
175 HA SER 25 HA SER 25 -8.429 10.920 10.920
176 1HB SER 25 HB2 SER 25 -8.202 13.125 13.125
177 2HB SER 25 HB3 SER 25 -7.133 12.667 12.667
178 HG SER 25 HG SER 25 -9.023 11.577 11.577
179 H GLU 26 HN GLU 26 -10.077 10.161 10.161
180 HA GLU 26 HA GLU 26 -8.901 8.512 8.512
181 1HB GLU 26 HB2 GLU 26 -10.457 7.406 7.406
182 2HB GLU 26 HB3 GLU 26 -10.442 6.564 6.564
183 1HG GLU 26 HG2 GLU 26 -8.494 5.606 5.606
184 2HG GLU 26 HG3 GLU 26 -7.736 7.164 7.164
185 H LYS 27 HN LYS 27 -11.110 7.133 7.133
186 HA LYS 27 HA LYS 27 -13.391 8.887 8.887
187 1HB LYS 27 HB2 LYS 27 -11.973 10.005 10.005
188 2HB LYS 27 HB3 LYS 27 -11.739 8.503 8.503
189 1HG LYS 27 HG2 LYS 27 -13.932 8.472 8.472
190 2HG LYS 27 HG3 LYS 27 -14.573 9.396 9.396
191 1HD LYS 27 HD2 LYS 27 -14.379 10.607 10.607
192 2HD LYS 27 HD3 LYS 27 -13.794 11.464 11.464
193 1HE LYS 27 HE2 LYS 27 -11.472 10.846 10.846
194 2HE LYS 27 HE3 LYS 27 -11.988 9.788 9.788
195 1HZ LYS 27 HZ1 LYS 27 -13.011 11.843 11.843
196 2HZ LYS 27 HZ2 LYS 27 -12.146 12.709 12.709
197 3HZ LYS 27 HZ3 LYS 27 -11.380 11.772 11.772
198 H GLU 28 HN GLU 28 -15.010 7.470 7.470
199 HA GLU 28 HA GLU 28 -14.651 4.744 4.744
200 1HB GLU 28 HB2 GLU 28 -15.910 5.327 5.327
201 2HB GLU 28 HB3 GLU 28 -17.012 6.340 6.340
202 1HG GLU 28 HG2 GLU 28 -17.165 3.834 3.834
203 2HG GLU 28 HG3 GLU 28 -17.069 3.428 3.428
204 H VAL 29 HN VAL 29 -14.481 4.401 4.401
205 HA VAL 29 HA VAL 29 -16.674 5.450 5.450
206 HB VAL 29 HB VAL 29 -15.140 4.814 4.814
207 1HG1 VAL 29 HG12 VAL 29 -15.278 7.100 7.100
208 2HG1 VAL 29 HG13 VAL 29 -13.542 6.728 6.728
209 3HG1 VAL 29 HG11 VAL 29 -14.309 6.916 6.916
210 1HG2 VAL 29 HG21 VAL 29 -13.775 3.350 3.350
211 2HG2 VAL 29 HG22 VAL 29 -13.085 3.917 3.917
212 3HG2 VAL 29 HG23 VAL 29 -12.787 4.830 4.830
213 H ASP 30 HN ASP 30 -18.204 3.860 3.860
214 HA ASP 30 HA ASP 30 -17.875 1.224 1.224
215 1HB ASP 30 HB2 ASP 30 -20.324 2.391 2.391
216 2HB ASP 30 HB3 ASP 30 -20.258 1.005 1.005
217 H SER 31 HN SER 31 -17.861 -0.584 -0.584
218 HA SER 31 HA SER 31 -17.934 0.149 0.149
219 1HB SER 31 HB2 SER 31 -15.671 -0.316 -0.316
220 2HB SER 31 HB3 SER 31 -15.908 -1.415 -1.415
221 HG SER 31 HG SER 31 -16.715 -2.033 -2.033
222 H GLY 32 HN GLY 32 -20.140 -0.782 -0.782
223 1HA GLY 32 HA1 GLY 32 -21.807 -2.287 -2.287
224 2HA GLY 32 HA2 GLY 32 -21.240 -2.764 -2.764
225 H ASN 33 HN ASN 33 -22.102 -4.929 -4.929
226 HA ASN 33 HA ASN 33 -20.398 -6.134 -6.134
227 1HB ASN 33 HB2 ASN 33 -22.412 -7.608 -7.608
228 2HB ASN 33 HB3 ASN 33 -21.913 -8.002 -8.002
229 1HD2 ASN 33 HD22 ASN 33 -25.301 -6.173 -6.173
230 2HD2 ASN 33 HD21 ASN 33 -24.537 -7.364 -7.364
231 H ASP 34 HN ASP 34 -19.450 -8.430 -8.430
232 HA ASP 34 HA ASP 34 -18.078 -8.116 -8.116
233 1HB ASP 34 HB2 ASP 34 -17.090 -8.749 -8.749
234 2HB ASP 34 HB3 ASP 34 -17.563 -10.371 -10.371
235 H ILE 35 HN ILE 35 -17.426 -10.943 -10.943
236 HA ILE 35 HA ILE 35 -19.885 -11.805 -11.805
237 HB ILE 35 HB ILE 35 -17.134 -13.051 -13.051
238 1HG1 ILE 35 HG12 ILE 35 -17.093 -12.196 -12.196
239 2HG1 ILE 35 HG13 ILE 35 -18.480 -11.208 -11.208
240 1HG2 ILE 35 HG22 ILE 35 -19.692 -13.843 -13.843
241 2HG2 ILE 35 HG23 ILE 35 -18.132 -14.168 -14.168
242 3HG2 ILE 35 HG21 ILE 35 -18.471 -14.848 -14.848
243 1HD1 ILE 35 HD11 ILE 35 -16.045 -11.131 -11.131
244 2HD1 ILE 35 HD12 ILE 35 -16.039 -10.225 -10.225
245 3HD1 ILE 35 HD13 ILE 35 -17.267 -9.870 -9.870
246 H TYR 36 HN TYR 36 -18.844 -11.829 -11.829
247 HA TYR 36 HA TYR 36 -19.883 -14.530 -14.530
248 1HB TYR 36 HB2 TYR 36 -17.533 -13.357 -13.357
249 2HB TYR 36 HB3 TYR 36 -18.548 -12.673 -12.673
250 HD1 TYR 36 HD1 TYR 36 -18.360 -16.085 -16.085
251 HD2 TYR 36 HD2 TYR 36 -18.188 -13.755 -13.755
252 HE1 TYR 36 HE1 TYR 36 -18.101 -18.207 -18.207
253 HE2 TYR 36 HE2 TYR 36 -17.930 -15.886 -15.886
254 HH TYR 36 HH TYR 36 -17.056 -18.197 -18.197
255 H GLY 37 HN GLY 37 -20.916 -11.357 -11.357
256 1HA GLY 37 HA1 GLY 37 -23.007 -10.607 -10.607
257 2HA GLY 37 HA2 GLY 37 -23.168 -11.908 -11.908
258 H ASN 38 HN ASN 38 -20.126 -10.926 -10.926
259 HA ASN 38 HA ASN 38 -21.001 -9.457 -9.457
260 1HB ASN 38 HB2 ASN 38 -18.426 -9.251 -9.251
261 2HB ASN 38 HB3 ASN 38 -19.104 -10.867 -10.867
262 1HD2 ASN 38 HD22 ASN 38 -16.068 -10.930 -10.930
263 2HD2 ASN 38 HD21 ASN 38 -16.483 -10.587 -10.587
264 HA PRO 39 HA PRO 39 -20.284 -5.467 -5.467
265 1HB PRO 39 HB2 PRO 39 -19.728 -3.995 -3.995
266 2HB PRO 39 HB3 PRO 39 -21.356 -4.434 -4.434
267 1HG PRO 39 HG2 PRO 39 -19.692 -5.560 -5.560
268 2HG PRO 39 HG3 PRO 39 -21.427 -5.672 -5.672
269 1HD PRO 39 HD2 PRO 39 -19.493 -7.723 -7.723
270 2HD PRO 39 HD3 PRO 39 -21.212 -7.794 -7.794
271 H ILE 40 HN ILE 40 -18.755 -4.548 -4.548
272 HA ILE 40 HA ILE 40 -16.081 -5.367 -5.367
273 HB ILE 40 HB ILE 40 -17.274 -3.482 -3.482
274 1HG1 ILE 40 HG12 ILE 40 -16.471 -6.399 -6.399
275 2HG1 ILE 40 HG13 ILE 40 -18.083 -5.733 -5.733
276 1HG2 ILE 40 HG21 ILE 40 -14.462 -4.597 -4.597
277 2HG2 ILE 40 HG22 ILE 40 -15.137 -3.690 -3.690
278 3HG2 ILE 40 HG23 ILE 40 -14.946 -2.897 -2.897
279 1HD1 ILE 40 HD13 ILE 40 -16.843 -4.309 -4.309
280 2HD1 ILE 40 HD11 ILE 40 -15.826 -5.770 -5.770
281 3HD1 ILE 40 HD12 ILE 40 -17.579 -5.903 -5.903
282 H LYS 41 HN LYS 41 -16.712 -1.997 -1.997
283 HA LYS 41 HA LYS 41 -16.271 -0.070 -0.070
284 1HB LYS 41 HB2 LYS 41 -17.586 -1.083 -1.083
285 2HB LYS 41 HB3 LYS 41 -16.054 -1.522 -1.522
286 1HG LYS 41 HG2 LYS 41 -15.340 0.880 0.880
287 2HG LYS 41 HG3 LYS 41 -16.879 1.316 1.316
288 1HD LYS 41 HD2 LYS 41 -17.076 -0.290 -0.290
289 2HD LYS 41 HD3 LYS 41 -16.380 1.306 1.306
290 1HE LYS 41 HE2 LYS 41 -18.411 2.174 2.174
291 2HE LYS 41 HE3 LYS 41 -19.121 0.596 0.596
292 1HZ LYS 41 HZ3 LYS 41 -18.376 1.215 1.215
293 2HZ LYS 41 HZ1 LYS 41 -18.648 2.721 2.721
294 3HZ LYS 41 HZ2 LYS 41 -19.842 1.608 1.608
295 H ARG 42 HN ARG 42 -14.382 0.928 0.928
296 HA ARG 42 HA ARG 42 -11.992 -0.409 -0.409
297 1HB ARG 42 HB2 ARG 42 -11.129 1.029 1.029
298 2HB ARG 42 HB3 ARG 42 -11.424 -0.697 -0.697
299 1HG ARG 42 HG2 ARG 42 -13.897 -0.141 -0.141
300 2HG ARG 42 HG3 ARG 42 -13.355 1.491 1.491
301 1HD ARG 42 HD2 ARG 42 -11.556 0.268 0.268
302 2HD ARG 42 HD3 ARG 42 -12.695 -1.062 -1.062
303 HE ARG 42 HE ARG 42 -13.961 1.502 1.502
304 1HH1 ARG 42 HH22 ARG 42 -12.293 -1.293 -1.293
305 2HH1 ARG 42 HH21 ARG 42 -12.960 -1.093 -1.093
306 1HH2 ARG 42 HH12 ARG 42 -14.841 1.767 1.767
307 2HH2 ARG 42 HH11 ARG 42 -14.419 0.660 0.660
308 H ILE 43 HN ILE 43 -12.624 1.214 1.214
309 HA ILE 43 HA ILE 43 -12.738 3.870 3.870
310 HB ILE 43 HB ILE 43 -11.773 1.912 1.912
311 1HG1 ILE 43 HG12 ILE 43 -13.105 3.329 3.329
312 2HG1 ILE 43 HG13 ILE 43 -13.336 4.498 4.498
313 1HG2 ILE 43 HG22 ILE 43 -10.665 4.728 4.728
314 2HG2 ILE 43 HG23 ILE 43 -10.679 3.574 3.574
315 3HG2 ILE 43 HG21 ILE 43 -9.745 3.208 3.208
316 1HD1 ILE 43 HD12 ILE 43 -14.109 1.575 1.575
317 2HD1 ILE 43 HD13 ILE 43 -15.226 2.780 2.780
318 3HD1 ILE 43 HD11 ILE 43 -14.625 2.967 2.967
319 H GLN 44 HN GLN 44 -11.317 5.672 5.672
320 HA GLN 44 HA GLN 44 -9.006 5.080 5.080
321 1HB GLN 44 HB2 GLN 44 -10.392 7.677 7.677
322 2HB GLN 44 HB3 GLN 44 -8.915 7.642 7.642
323 1HG GLN 44 HG2 GLN 44 -11.656 6.577 6.577
324 2HG GLN 44 HG3 GLN 44 -10.659 7.727 7.727
325 1HE2 GLN 44 HE22 GLN 44 -10.063 3.654 3.654
326 2HE2 GLN 44 HE21 GLN 44 -11.029 4.368 4.368
327 H TYR 45 HN TYR 45 -7.094 6.882 6.882
328 HA TYR 45 HA TYR 45 -6.621 6.819 6.819
329 1HB TYR 45 HB2 TYR 45 -5.240 5.451 5.451
330 2HB TYR 45 HB3 TYR 45 -4.140 6.343 6.343
331 HD1 TYR 45 HD2 TYR 45 -5.696 5.887 5.887
332 HD2 TYR 45 HD1 TYR 45 -4.484 3.246 3.246
333 HE1 TYR 45 HE2 TYR 45 -5.665 3.942 3.942
334 HE2 TYR 45 HE1 TYR 45 -4.457 1.310 1.310
335 HH TYR 45 HH TYR 45 -4.584 1.792 1.792
336 H GLU 46 HN GLU 46 -7.367 9.144 9.144
337 HA GLU 46 HA GLU 46 -5.727 10.749 10.749
338 1HB GLU 46 HB2 GLU 46 -8.150 11.098 11.098
339 2HB GLU 46 HB3 GLU 46 -7.226 11.892 11.892
340 1HG GLU 46 HG2 GLU 46 -6.233 13.447 13.447
341 2HG GLU 46 HG3 GLU 46 -6.940 12.575 12.575
342 H ILE 47 HN ILE 47 -3.631 9.708 9.708
343 HA ILE 47 HA ILE 47 -2.789 10.352 10.352
344 HB ILE 47 HB ILE 47 -0.561 9.744 9.744
345 1HG1 ILE 47 HG12 ILE 47 -1.936 9.955 9.955
346 2HG1 ILE 47 HG13 ILE 47 -0.366 10.555 10.555
347 1HG2 ILE 47 HG21 ILE 47 -2.909 8.123 8.123
348 2HG2 ILE 47 HG22 ILE 47 -1.858 7.516 7.516
349 3HG2 ILE 47 HG23 ILE 47 -1.221 7.679 7.679
350 1HD1 ILE 47 HD12 ILE 47 -0.055 7.829 7.829
351 2HD1 ILE 47 HD13 ILE 47 -1.122 7.886 7.886
352 3HD1 ILE 47 HD11 ILE 47 0.453 8.714 8.714
353 H LYS 48 HN LYS 48 -0.353 11.616 11.616
354 HA LYS 48 HA LYS 48 -1.017 14.229 14.229
355 1HB LYS 48 HB2 LYS 48 -1.257 13.856 13.856
356 2HB LYS 48 HB3 LYS 48 0.486 14.029 14.029
357 1HG LYS 48 HG2 LYS 48 0.358 16.233 16.233
358 2HG LYS 48 HG3 LYS 48 -1.338 16.037 16.037
359 1HD LYS 48 HD2 LYS 48 -0.652 17.438 17.438
360 2HD LYS 48 HD3 LYS 48 -2.044 16.375 16.375
361 1HE LYS 48 HE2 LYS 48 -0.781 14.644 14.644
362 2HE LYS 48 HE3 LYS 48 0.744 15.442 15.442
363 1HZ LYS 48 HZ2 LYS 48 -0.420 17.355 17.355
364 2HZ LYS 48 HZ3 LYS 48 -1.287 16.132 16.132
365 3HZ LYS 48 HZ1 LYS 48 0.339 16.146 16.146
366 H GLN 49 HN GLN 49 0.934 11.548 11.548
367 HA GLN 49 HA GLN 49 2.911 11.119 11.119
368 1HB GLN 49 HB2 GLN 49 2.574 12.046 12.046
369 2HB GLN 49 HB3 GLN 49 2.111 13.606 13.606
370 1HG GLN 49 HG2 GLN 49 4.257 13.786 13.786
371 2HG GLN 49 HG3 GLN 49 4.489 14.134 14.134
372 1HE2 GLN 49 HE22 GLN 49 5.603 10.359 10.359
373 2HE2 GLN 49 HE21 GLN 49 4.127 11.108 11.108
374 H ILE 50 HN ILE 50 4.751 10.959 10.959
375 HA ILE 50 HA ILE 50 5.822 13.454 13.454
376 HB ILE 50 HB ILE 50 5.640 12.740 12.740
377 1HG1 ILE 50 HG12 ILE 50 6.961 10.253 10.253
378 2HG1 ILE 50 HG13 ILE 50 7.596 11.472 11.472
379 1HG2 ILE 50 HG22 ILE 50 3.495 11.820 11.820
380 2HG2 ILE 50 HG23 ILE 50 4.228 10.224 10.224
381 3HG2 ILE 50 HG21 ILE 50 3.893 11.312 11.312
382 1HD1 ILE 50 HD11 ILE 50 5.338 9.531 9.531
383 2HD1 ILE 50 HD12 ILE 50 7.031 9.367 9.367
384 3HD1 ILE 50 HD13 ILE 50 6.048 10.732 10.732
385 H LYS 51 HN LYS 51 6.287 10.244 10.244
386 HA LYS 51 HA LYS 51 8.928 11.062 11.062
387 1HB LYS 51 HB2 LYS 51 8.640 9.477 9.477
388 2HB LYS 51 HB3 LYS 51 9.192 8.396 8.396
389 1HG LYS 51 HG2 LYS 51 10.733 10.719 10.719
390 2HG LYS 51 HG3 LYS 51 10.635 10.585 10.585
391 1HD LYS 51 HD2 LYS 51 11.690 8.465 8.465
392 2HD LYS 51 HD3 LYS 51 11.277 8.115 8.115
393 1HE LYS 51 HE2 LYS 51 12.979 9.538 9.538
394 2HE LYS 51 HE3 LYS 51 13.112 10.447 10.447
395 1HZ LYS 51 HZ1 LYS 51 13.878 8.270 8.270
396 2HZ LYS 51 HZ2 LYS 51 14.076 7.742 7.742
397 3HZ LYS 51 HZ3 LYS 51 14.920 9.034 9.034
398 H MET 52 HN MET 52 9.875 9.285 9.285
399 HA MET 52 HA MET 52 7.781 7.683 7.683
400 1HB MET 52 HB2 MET 52 8.335 8.605 8.605
401 2HB MET 52 HB3 MET 52 7.618 9.809 9.809
402 1HG MET 52 HG2 MET 52 9.532 11.079 11.079
403 2HG MET 52 HG3 MET 52 10.577 9.679 9.679
404 1HE MET 52 HE3 MET 52 12.209 10.516 10.516
405 2HE MET 52 HE1 MET 52 12.345 9.344 9.344
406 3HE MET 52 HE2 MET 52 12.279 11.088 11.088
407 H PHE 53 HN PHE 53 9.398 6.199 6.199
408 HA PHE 53 HA PHE 53 11.962 5.796 5.796
409 1HB PHE 53 HB2 PHE 53 9.517 4.098 4.098
410 2HB PHE 53 HB3 PHE 53 10.877 3.218 3.218
411 HD1 PHE 53 HD2 PHE 53 13.166 4.424 4.424
412 HD2 PHE 53 HD1 PHE 53 9.326 3.412 3.412
413 HE1 PHE 53 HE2 PHE 53 14.131 4.166 4.166
414 HE2 PHE 53 HE1 PHE 53 10.291 3.155 3.155
415 HZ PHE 53 HZ PHE 53 12.683 3.535 3.535
416 H LYS 54 HN LYS 54 9.688 3.764 3.764
417 HA LYS 54 HA LYS 54 11.366 4.362 4.362
418 1HB LYS 54 HB2 LYS 54 11.826 2.111 2.111
419 2HB LYS 54 HB3 LYS 54 10.204 1.638 1.638
420 1HG LYS 54 HG2 LYS 54 11.625 0.880 0.880
421 2HG LYS 54 HG3 LYS 54 10.809 2.297 2.297
422 1HD LYS 54 HD2 LYS 54 13.232 3.136 3.136
423 2HD LYS 54 HD3 LYS 54 13.632 1.854 1.854
424 1HE LYS 54 HE2 LYS 54 11.777 3.992 3.992
425 2HE LYS 54 HE3 LYS 54 13.443 4.465 4.465
426 1HZ LYS 54 HZ3 LYS 54 13.713 2.132 2.132
427 2HZ LYS 54 HZ1 LYS 54 12.362 2.712 2.712
428 3HZ LYS 54 HZ2 LYS 54 13.740 3.588 3.588
429 H GLY 55 HN GLY 55 9.374 6.034 6.034
430 1HA GLY 55 HA1 GLY 55 7.071 4.834 4.834
431 2HA GLY 55 HA2 GLY 55 7.020 6.269 6.269
432 HA PRO 56 HA PRO 56 7.596 7.643 7.643
433 1HB PRO 56 HB2 PRO 56 5.370 9.217 9.217
434 2HB PRO 56 HB3 PRO 56 5.419 7.550 7.550
435 1HG PRO 56 HG2 PRO 56 4.144 8.676 8.676
436 2HG PRO 56 HG3 PRO 56 3.856 7.131 7.131
437 1HD PRO 56 HD2 PRO 56 5.366 7.595 7.595
438 2HD PRO 56 HD3 PRO 56 5.173 6.068 6.068
439 H GLU 57 HN GLU 57 7.371 10.098 10.098
440 HA GLU 57 HA GLU 57 9.149 11.430 11.430
441 1HB GLU 57 HB2 GLU 57 7.872 12.833 12.833
442 2HB GLU 57 HB3 GLU 57 9.532 12.893 12.893
443 1HG GLU 57 HG2 GLU 57 9.597 10.340 10.340
444 2HG GLU 57 HG3 GLU 57 8.166 10.721 10.721
445 H LYS 58 HN LYS 58 5.691 11.683 11.683
446 HA LYS 58 HA LYS 58 5.337 14.136 14.136
447 1HB LYS 58 HB2 LYS 58 4.000 13.719 13.719
448 2HB LYS 58 HB3 LYS 58 3.409 12.202 12.202
449 1HG LYS 58 HG2 LYS 58 1.634 13.490 13.490
450 2HG LYS 58 HG3 LYS 58 2.680 13.852 13.852
451 1HD LYS 58 HD2 LYS 58 2.737 15.527 15.527
452 2HD LYS 58 HD3 LYS 58 1.599 15.859 15.859
453 1HE LYS 58 HE2 LYS 58 3.870 15.705 15.705
454 2HE LYS 58 HE3 LYS 58 4.587 16.191 16.191
455 1HZ LYS 58 HZ1 LYS 58 2.809 17.961 17.961
456 2HZ LYS 58 HZ2 LYS 58 2.568 17.612 17.612
457 3HZ LYS 58 HZ3 LYS 58 4.026 18.149 18.149
458 H ASP 59 HN ASP 59 3.336 11.183 11.183
459 HA ASP 59 HA ASP 59 4.137 10.134 10.134
460 1HB ASP 59 HB2 ASP 59 4.413 12.063 12.063
461 2HB ASP 59 HB3 ASP 59 3.026 12.872 12.872
462 H ILE 60 HN ILE 60 2.173 9.298 9.298
463 HA ILE 60 HA ILE 60 -0.249 9.291 9.291
464 HB ILE 60 HB ILE 60 0.453 6.972 6.972
465 1HG1 ILE 60 HG12 ILE 60 2.492 7.673 7.673
466 2HG1 ILE 60 HG13 ILE 60 1.965 6.002 6.002
467 1HG2 ILE 60 HG22 ILE 60 -1.475 7.633 7.633
468 2HG2 ILE 60 HG23 ILE 60 -0.547 6.184 6.184
469 3HG2 ILE 60 HG21 ILE 60 -1.413 6.233 6.233
470 1HD1 ILE 60 HD11 ILE 60 0.519 7.551 7.551
471 2HD1 ILE 60 HD12 ILE 60 2.276 7.744 7.744
472 3HD1 ILE 60 HD13 ILE 60 1.553 6.118 6.118
473 H GLU 61 HN GLU 61 -0.753 11.255 11.255
474 HA GLU 61 HA GLU 61 -1.067 10.937 10.937
475 1HB GLU 61 HB2 GLU 61 -1.357 13.027 13.027
476 2HB GLU 61 HB3 GLU 61 -2.808 13.001 13.001
477 1HG GLU 61 HG2 GLU 61 -0.840 12.697 12.697
478 2HG GLU 61 HG3 GLU 61 -0.024 13.719 13.719
479 H PHE 62 HN PHE 62 -2.722 9.506 9.506
480 HA PHE 62 HA PHE 62 -5.078 9.146 9.146
481 1HB PHE 62 HB2 PHE 62 -4.744 10.120 10.120
482 2HB PHE 62 HB3 PHE 62 -5.980 8.892 8.892
483 HD1 PHE 62 HD1 PHE 62 -7.979 9.338 9.338
484 HD2 PHE 62 HD2 PHE 62 -5.029 12.330 12.330
485 HE1 PHE 62 HE1 PHE 62 -9.600 11.090 11.090
486 HE2 PHE 62 HE2 PHE 62 -6.649 14.081 14.081
487 HZ PHE 62 HZ PHE 62 -8.914 13.441 13.441
488 H ILE 63 HN ILE 63 -4.360 7.096 7.096
489 HA ILE 63 HA ILE 63 -3.792 5.137 5.137
490 HB ILE 63 HB ILE 63 -3.544 4.631 4.631
491 1HG1 ILE 63 HG12 ILE 63 -2.341 6.845 6.845
492 2HG1 ILE 63 HG13 ILE 63 -1.844 6.034 6.034
493 1HG2 ILE 63 HG23 ILE 63 -2.274 3.566 3.566
494 2HG2 ILE 63 HG21 ILE 63 -1.549 3.305 3.305
495 3HG2 ILE 63 HG22 ILE 63 -3.184 2.694 2.694
496 1HD1 ILE 63 HD11 ILE 63 -0.862 5.257 5.257
497 2HD1 ILE 63 HD12 ILE 63 0.026 6.315 6.315
498 3HD1 ILE 63 HD13 ILE 63 -0.273 4.614 4.614
499 H TYR 64 HN TYR 64 -4.744 2.869 2.869
500 HA TYR 64 HA TYR 64 -7.519 3.208 3.208
501 1HB TYR 64 HB2 TYR 64 -6.175 1.719 1.719
502 2HB TYR 64 HB3 TYR 64 -7.793 1.290 1.290
503 HD1 TYR 64 HD1 TYR 64 -5.964 4.502 4.502
504 HD2 TYR 64 HD2 TYR 64 -9.462 2.127 2.127
505 HE1 TYR 64 HE1 TYR 64 -6.929 6.322 6.322
506 HE2 TYR 64 HE2 TYR 64 -10.415 3.955 3.955
507 HH TYR 64 HH TYR 64 -10.096 5.886 5.886
508 H THR 65 HN THR 65 -8.468 1.460 1.460
509 HA THR 65 HA THR 65 -7.038 -0.980 -0.980
510 HB THR 65 HB THR 65 -5.700 0.557 0.557
511 HG1 THR 65 HG1 THR 65 -6.310 -1.711 -1.711
512 1HG2 THR 65 HG22 THR 65 -8.463 1.127 1.127
513 2HG2 THR 65 HG23 THR 65 -7.026 1.207 1.207
514 3HG2 THR 65 HG21 THR 65 -7.156 2.279 2.279
515 H ALA 66 HN ALA 66 -8.205 -1.857 -1.857
516 HA ALA 66 HA ALA 66 -11.027 -1.785 -1.785
517 1HB ALA 66 HB3 ALA 66 -9.142 -3.878 -3.878
518 2HB ALA 66 HB1 ALA 66 -10.722 -3.928 -3.928
519 3HB ALA 66 HB2 ALA 66 -10.635 -4.017 -4.017
520 HA PRO 67 HA PRO 67 -11.948 0.101 0.101
521 1HB PRO 67 HB2 PRO 67 -14.591 -0.538 -0.538
522 2HB PRO 67 HB3 PRO 67 -14.020 0.763 0.763
523 1HG PRO 67 HG2 PRO 67 -15.011 -1.912 -1.912
524 2HG PRO 67 HG3 PRO 67 -14.844 -0.473 -0.473
525 1HD PRO 67 HD2 PRO 67 -13.111 -2.759 -2.759
526 2HD PRO 67 HD3 PRO 67 -12.881 -1.274 -1.274
527 H SER 68 HN SER 68 -13.756 -0.611 -0.611
528 HA SER 68 HA SER 68 -13.830 -1.780 -1.780
529 1HB SER 68 HB2 SER 68 -13.412 -3.875 -3.875
530 2HB SER 68 HB3 SER 68 -13.057 -4.385 -4.385
531 HG SER 68 HG SER 68 -15.187 -3.788 -3.788
532 H SER 69 HN SER 69 -12.286 -3.789 -3.789
533 HA SER 69 HA SER 69 -9.970 -2.333 -2.333
534 1HB SER 69 HB2 SER 69 -9.442 -4.249 -4.249
535 2HB SER 69 HB3 SER 69 -11.101 -3.717 -3.717
536 HG SER 69 HG SER 69 -10.806 -5.686 -5.686
537 H ALA 70 HN ALA 70 -9.604 -2.486 -2.486
538 HA ALA 70 HA ALA 70 -8.310 -3.184 -3.184
539 1HB ALA 70 HB1 ALA 70 -6.744 -3.014 -3.014
540 2HB ALA 70 HB2 ALA 70 -6.344 -4.627 -4.627
541 3HB ALA 70 HB3 ALA 70 -6.136 -3.188 -3.188
542 H VAL 71 HN VAL 71 -9.750 -4.641 -4.641
543 HA VAL 71 HA VAL 71 -9.572 -7.420 -7.420
544 HB VAL 71 HB VAL 71 -11.685 -7.654 -7.654
545 1HG1 VAL 71 HG13 VAL 71 -11.471 -5.333 -5.333
546 2HG1 VAL 71 HG11 VAL 71 -11.915 -4.680 -4.680
547 3HG1 VAL 71 HG12 VAL 71 -13.011 -5.804 -5.804
548 1HG2 VAL 71 HG21 VAL 71 -10.965 -5.962 -5.962
549 2HG2 VAL 71 HG22 VAL 71 -11.267 -7.715 -7.715
550 3HG2 VAL 71 HG23 VAL 71 -12.611 -6.571 -6.571
551 H CYS 72 HN CYS 72 -9.040 -5.231 -5.231
552 HA CYS 72 HA CYS 72 -7.545 -7.434 -7.434
553 1HB CYS 72 HB2 CYS 72 -9.078 -5.300 -5.300
554 2HB CYS 72 HB3 CYS 72 -8.172 -6.626 -6.626
555 H GLY 73 HN GLY 73 -6.988 -5.016 -5.016
556 1HA GLY 73 HA1 GLY 73 -4.593 -4.142 -4.142
557 2HA GLY 73 HA2 GLY 73 -5.770 -2.883 -2.883
558 H VAL 74 HN VAL 74 -4.296 -1.818 -1.818
559 HA VAL 74 HA VAL 74 -4.006 -3.264 -3.264
560 HB VAL 74 HB VAL 74 -2.244 -1.171 -1.171
561 1HG1 VAL 74 HG12 VAL 74 -2.126 -2.430 -2.430
562 2HG1 VAL 74 HG13 VAL 74 -0.756 -1.584 -1.584
563 3HG1 VAL 74 HG11 VAL 74 -2.263 -0.703 -0.703
564 1HG2 VAL 74 HG23 VAL 74 -2.241 -3.762 -3.762
565 2HG2 VAL 74 HG21 VAL 74 -0.734 -2.823 -2.823
566 3HG2 VAL 74 HG22 VAL 74 -1.259 -3.860 -3.860
567 H SER 75 HN SER 75 -5.850 -1.018 -1.018
568 HA SER 75 HA SER 75 -6.749 0.952 0.952
569 1HB SER 75 HB2 SER 75 -8.596 -0.174 -0.174
570 2HB SER 75 HB3 SER 75 -7.658 -1.275 -1.275
571 HG SER 75 HG SER 75 -9.005 0.043 0.043
572 H LEU 76 HN LEU 76 -4.817 2.258 2.258
573 HA LEU 76 HA LEU 76 -4.209 2.518 2.518
574 1HB LEU 76 HB2 LEU 76 -2.514 3.921 3.921
575 2HB LEU 76 HB3 LEU 76 -2.085 2.967 2.967
576 HG LEU 76 HG LEU 76 -2.853 0.953 0.953
577 1HD1 LEU 76 HD13 LEU 76 -3.207 3.015 3.015
578 2HD1 LEU 76 HD11 LEU 76 -1.577 2.436 2.436
579 3HD1 LEU 76 HD12 LEU 76 -2.955 1.308 1.308
580 1HD2 LEU 76 HD23 LEU 76 -0.393 2.111 2.111
581 2HD2 LEU 76 HD21 LEU 76 -0.725 0.429 0.429
582 3HD2 LEU 76 HD22 LEU 76 -0.218 1.620 1.620
583 H ASP 77 HN ASP 77 -4.675 4.380 4.380
584 HA ASP 77 HA ASP 77 -6.012 6.413 6.413
585 1HB ASP 77 HB2 ASP 77 -7.413 6.820 6.820
586 2HB ASP 77 HB3 ASP 77 -7.078 5.120 5.120
587 H VAL 78 HN VAL 78 -3.090 5.636 5.636
588 HA VAL 78 HA VAL 78 -1.280 6.804 6.804
589 HB VAL 78 HB VAL 78 -2.916 8.939 8.939
590 1HG1 VAL 78 HG11 VAL 78 -0.585 9.347 9.347
591 2HG1 VAL 78 HG12 VAL 78 -0.481 10.138 10.138
592 3HG1 VAL 78 HG13 VAL 78 -1.855 10.483 10.483
593 1HG2 VAL 78 HG22 VAL 78 -0.388 7.410 7.410
594 2HG2 VAL 78 HG23 VAL 78 -1.931 7.438 7.438
595 3HG2 VAL 78 HG21 VAL 78 -0.876 8.871 8.871
596 H GLY 79 HN GLY 79 -4.201 8.802 8.802
597 1HA GLY 79 HA1 GLY 79 -3.271 10.035 10.035
598 2HA GLY 79 HA2 GLY 79 -4.934 9.549 9.549
599 H GLY 80 HN GLY 80 -3.578 6.628 6.628
600 1HA GLY 80 HA1 GLY 80 -3.558 6.153 6.153
601 2HA GLY 80 HA2 GLY 80 -4.285 5.069 5.069
602 H LYS 81 HN LYS 81 -1.996 5.733 5.733
603 HA LYS 81 HA LYS 81 -0.027 3.969 3.969
604 1HB LYS 81 HB2 LYS 81 0.286 3.979 3.979
605 2HB LYS 81 HB3 LYS 81 -0.199 2.658 2.658
606 1HG LYS 81 HG2 LYS 81 -2.139 4.783 4.783
607 2HG LYS 81 HG3 LYS 81 -1.870 3.256 3.256
608 1HD LYS 81 HD2 LYS 81 -2.933 2.009 2.009
609 2HD LYS 81 HD3 LYS 81 -2.500 3.127 3.127
610 1HE LYS 81 HE2 LYS 81 -4.621 3.933 3.933
611 2HE LYS 81 HE3 LYS 81 -4.147 4.681 4.681
612 1HZ LYS 81 HZ2 LYS 81 -4.693 2.400 2.400
613 2HZ LYS 81 HZ3 LYS 81 -5.529 2.147 2.147
614 3HZ LYS 81 HZ1 LYS 81 -5.930 3.389 3.389
615 H LYS 82 HN LYS 82 0.373 5.827 5.827
616 HA LYS 82 HA LYS 82 1.490 8.123 8.123
617 1HB LYS 82 HB2 LYS 82 3.985 7.531 7.531
618 2HB LYS 82 HB3 LYS 82 3.118 7.156 7.156
619 1HG LYS 82 HG2 LYS 82 2.807 4.890 4.890
620 2HG LYS 82 HG3 LYS 82 4.498 5.346 5.346
621 1HD LYS 82 HD2 LYS 82 4.846 4.414 4.414
622 2HD LYS 82 HD3 LYS 82 3.707 5.534 5.534
623 1HE LYS 82 HE2 LYS 82 1.966 4.002 4.002
624 2HE LYS 82 HE3 LYS 82 2.493 3.244 3.244
625 1HZ LYS 82 HZ3 LYS 82 4.391 2.362 2.362
626 2HZ LYS 82 HZ1 LYS 82 3.586 2.844 2.844
627 3HZ LYS 82 HZ2 LYS 82 2.924 1.730 1.730
628 H GLU 83 HN GLU 83 3.481 5.899 5.899
629 HA GLU 83 HA GLU 83 2.173 6.794 6.794
630 1HB GLU 83 HB2 GLU 83 5.147 7.343 7.343
631 2HB GLU 83 HB3 GLU 83 4.014 7.942 7.942
632 1HG GLU 83 HG2 GLU 83 4.366 9.801 9.801
633 2HG GLU 83 HG3 GLU 83 2.819 9.157 9.157
634 H TYR 84 HN TYR 84 2.633 5.427 5.427
635 HA TYR 84 HA TYR 84 4.315 3.107 3.107
636 1HB TYR 84 HB2 TYR 84 2.580 1.886 1.886
637 2HB TYR 84 HB3 TYR 84 1.891 2.564 2.564
638 HD1 TYR 84 HD2 TYR 84 2.590 3.721 3.721
639 HD2 TYR 84 HD1 TYR 84 -0.168 3.587 3.587
640 HE1 TYR 84 HE2 TYR 84 0.874 4.982 4.982
641 HE2 TYR 84 HE1 TYR 84 -1.875 4.850 4.850
642 HH TYR 84 HH TYR 84 -2.116 4.993 4.993
643 H LEU 85 HN LEU 85 5.342 2.026 2.026
644 HA LEU 85 HA LEU 85 6.137 3.974 3.974
645 1HB LEU 85 HB2 LEU 85 7.778 2.238 2.238
646 2HB LEU 85 HB3 LEU 85 7.886 2.768 2.768
647 HG LEU 85 HG LEU 85 8.057 0.218 0.218
648 1HD1 LEU 85 HD12 LEU 85 7.793 1.577 1.577
649 2HD1 LEU 85 HD13 LEU 85 6.364 0.517 0.517
650 3HD1 LEU 85 HD11 LEU 85 7.988 -0.187 -0.187
651 1HD2 LEU 85 HD23 LEU 85 5.889 0.145 0.145
652 2HD2 LEU 85 HD21 LEU 85 5.956 -0.986 -0.986
653 3HD2 LEU 85 HD22 LEU 85 5.067 0.549 0.549
654 H ILE 86 HN ILE 86 3.466 2.116 2.116
655 HA ILE 86 HA ILE 86 2.513 0.570 0.570
656 HB ILE 86 HB ILE 86 1.921 3.384 3.384
657 1HG1 ILE 86 HG12 ILE 86 -0.348 2.608 2.608
658 2HG1 ILE 86 HG13 ILE 86 0.081 1.029 1.029
659 1HG2 ILE 86 HG23 ILE 86 1.658 1.937 1.937
660 2HG2 ILE 86 HG21 ILE 86 0.444 3.147 3.147
661 3HG2 ILE 86 HG22 ILE 86 2.156 3.613 3.613
662 1HD1 ILE 86 HD12 ILE 86 1.750 1.659 1.659
663 2HD1 ILE 86 HD13 ILE 86 0.027 1.835 1.835
664 3HD1 ILE 86 HD11 ILE 86 0.634 0.292 0.292
665 H ALA 87 HN ALA 87 3.618 -0.784 -0.784
666 HA ALA 87 HA ALA 87 4.692 0.436 0.436
667 1HB ALA 87 HB2 ALA 87 6.006 -1.213 -1.213
668 2HB ALA 87 HB3 ALA 87 6.209 -1.841 -1.841
669 3HB ALA 87 HB1 ALA 87 6.719 -0.181 -0.181
670 H GLY 88 HN GLY 88 3.431 -0.202 -0.202
671 1HA GLY 88 HA1 GLY 88 2.639 -3.032 -3.032
672 2HA GLY 88 HA2 GLY 88 1.409 -1.791 -1.791
673 H LYS 89 HN LYS 89 1.523 -3.384 -3.384
674 HA LYS 89 HA LYS 89 3.445 -2.835 -2.835
675 1HB LYS 89 HB2 LYS 89 1.244 -4.481 -4.481
676 2HB LYS 89 HB3 LYS 89 0.738 -3.369 -3.369
677 1HG LYS 89 HG2 LYS 89 2.659 -3.886 -3.886
678 2HG LYS 89 HG3 LYS 89 3.472 -4.710 -4.710
679 1HD LYS 89 HD2 LYS 89 1.532 -6.393 -6.393
680 2HD LYS 89 HD3 LYS 89 0.959 -5.635 -5.635
681 1HE LYS 89 HE2 LYS 89 3.818 -6.220 -6.220
682 2HE LYS 89 HE3 LYS 89 2.934 -7.668 -7.668
683 1HZ LYS 89 HZ3 LYS 89 1.427 -7.183 -7.183
684 2HZ LYS 89 HZ1 LYS 89 2.366 -5.921 -5.921
685 3HZ LYS 89 HZ2 LYS 89 2.963 -7.440 -7.440
686 H ALA 90 HN ALA 90 0.982 -0.821 -0.821
687 HA ALA 90 HA ALA 90 0.534 1.326 1.326
688 1HB ALA 90 HB1 ALA 90 2.998 0.963 0.963
689 2HB ALA 90 HB2 ALA 90 1.938 1.884 1.884
690 3HB ALA 90 HB3 ALA 90 2.269 2.491 2.491
691 H GLU 91 HN GLU 91 -0.432 2.801 2.801
692 HA GLU 91 HA GLU 91 -2.001 0.973 0.973
693 1HB GLU 91 HB2 GLU 91 -3.243 2.080 2.080
694 2HB GLU 91 HB3 GLU 91 -3.001 3.614 3.614
695 1HG GLU 91 HG2 GLU 91 -4.168 1.356 1.356
696 2HG GLU 91 HG3 GLU 91 -5.200 2.111 2.111
697 H GLY 92 HN GLY 92 -0.518 4.235 4.235
698 1HA GLY 92 HA1 GLY 92 0.657 4.516 4.516
699 2HA GLY 92 HA2 GLY 92 -1.005 4.890 4.890
700 H ASP 93 HN ASP 93 1.112 5.585 5.585
701 HA ASP 93 HA ASP 93 1.555 7.420 7.420
702 1HB ASP 93 HB2 ASP 93 1.177 8.550 8.550
703 2HB ASP 93 HB3 ASP 93 1.536 9.620 9.620
704 H GLY 94 HN GLY 94 0.524 9.385 9.385
705 1HA GLY 94 HA1 GLY 94 -1.216 10.616 10.616
706 2HA GLY 94 HA2 GLY 94 -1.992 10.368 10.368
707 H LYS 95 HN LYS 95 -1.422 7.264 7.264
708 HA LYS 95 HA LYS 95 -3.089 6.703 6.703
709 1HB LYS 95 HB2 LYS 95 -5.171 6.148 6.148
710 2HB LYS 95 HB3 LYS 95 -4.789 7.740 7.740
711 1HG LYS 95 HG2 LYS 95 -3.967 5.287 5.287
712 2HG LYS 95 HG3 LYS 95 -5.630 5.836 5.836
713 1HD LYS 95 HD2 LYS 95 -5.076 7.858 7.858
714 2HD LYS 95 HD3 LYS 95 -3.451 7.885 7.885
715 1HE LYS 95 HE2 LYS 95 -2.724 7.047 7.047
716 2HE LYS 95 HE3 LYS 95 -3.501 5.535 5.535
717 1HZ LYS 95 HZ3 LYS 95 -5.550 6.465 6.465
718 2HZ LYS 95 HZ1 LYS 95 -4.696 7.752 7.752
719 3HZ LYS 95 HZ2 LYS 95 -4.348 6.256 6.256
720 H MET 96 HN MET 96 -3.044 4.478 4.478
721 HA MET 96 HA MET 96 -1.980 2.760 2.760
722 1HB MET 96 HB2 MET 96 -0.403 1.884 1.884
723 2HB MET 96 HB3 MET 96 0.116 3.197 3.197
724 1HG MET 96 HG2 MET 96 0.083 4.689 4.689
725 2HG MET 96 HG3 MET 96 -1.541 4.222 4.222
726 1HE MET 96 HE2 MET 96 1.922 4.302 4.302
727 2HE MET 96 HE3 MET 96 1.584 4.519 4.519
728 3HE MET 96 HE1 MET 96 2.444 3.067 3.067
729 H HIS 97 HN HIS 97 -1.545 0.436 0.436
730 HA HIS 97 HA HIS 97 -4.077 0.071 0.071
731 1HB HIS 97 HB2 HIS 97 -2.971 -1.364 -1.364
732 2HB HIS 97 HB3 HIS 97 -3.615 -2.390 -2.390
733 HD1 HIS 97 HD1 HIS 97 -4.942 -2.043 -2.043
734 HD2 HIS 97 HD2 HIS 97 -6.129 -0.058 -0.058
735 HE1 HIS 97 HE1 HIS 97 -7.377 -1.365 -1.365
736 H ILE 98 HN ILE 98 -3.896 -0.841 -0.841
737 HA ILE 98 HA ILE 98 -1.486 -2.375 -2.375
738 HB ILE 98 HB ILE 98 -1.026 -1.147 -1.147
739 1HG1 ILE 98 HG12 ILE 98 -3.476 0.441 0.441
740 2HG1 ILE 98 HG13 ILE 98 -3.111 -0.368 -0.368
741 1HG2 ILE 98 HG22 ILE 98 -0.287 -0.401 -0.401
742 2HG2 ILE 98 HG23 ILE 98 -1.184 1.067 1.067
743 3HG2 ILE 98 HG21 ILE 98 0.179 0.510 0.510
744 1HD1 ILE 98 HD12 ILE 98 -1.116 1.693 1.693
745 2HD1 ILE 98 HD13 ILE 98 -2.741 2.317 2.317
746 3HD1 ILE 98 HD11 ILE 98 -1.848 1.378 1.378
747 H THR 99 HN THR 99 -1.860 -4.103 -4.103
748 HA THR 99 HA THR 99 -4.435 -4.171 -4.171
749 HB THR 99 HB THR 99 -4.381 -6.698 -6.698
750 HG1 THR 99 HG1 THR 99 -3.299 -6.672 -6.672
751 1HG2 THR 99 HG23 THR 99 -5.601 -4.188 -4.188
752 2HG2 THR 99 HG21 THR 99 -5.294 -5.318 -5.318
753 3HG2 THR 99 HG22 THR 99 -6.296 -5.826 -5.826
754 H LEU 100 HN LEU 100 -4.535 -6.015 -6.015
755 HA LEU 100 HA LEU 100 -2.328 -5.854 -5.854
756 1HB LEU 100 HB2 LEU 100 -3.552 -7.095 -7.095
757 2HB LEU 100 HB3 LEU 100 -4.817 -6.461 -6.461
758 HG LEU 100 HG LEU 100 -3.622 -9.163 -9.163
759 1HD1 LEU 100 HD12 LEU 100 -5.563 -8.461 -8.461
760 2HD1 LEU 100 HD13 LEU 100 -5.627 -10.045 -10.045
761 3HD1 LEU 100 HD11 LEU 100 -4.148 -9.540 -9.540
762 1HD2 LEU 100 HD22 LEU 100 -5.624 -7.573 -7.573
763 2HD2 LEU 100 HD23 LEU 100 -5.191 -9.258 -9.258
764 3HD2 LEU 100 HD21 LEU 100 -6.467 -8.914 -8.914
765 H CYS 101 HN CYS 101 -3.324 -8.344 -8.344
766 HA CYS 101 HA CYS 101 -1.296 -10.151 -10.151
767 1HB CYS 101 HB2 CYS 101 -3.484 -10.229 -10.229
768 2HB CYS 101 HB3 CYS 101 -2.243 -10.036 -10.036
769 H ASP 102 HN ASP 102 -1.487 -7.201 -7.201
770 HA ASP 102 HA ASP 102 0.920 -7.696 -7.696
771 1HB ASP 102 HB2 ASP 102 -1.129 -6.034 -6.034
772 2HB ASP 102 HB3 ASP 102 -0.167 -4.916 -4.916
773 H PHE 103 HN PHE 103 2.672 -5.704 -5.704
774 HA PHE 103 HA PHE 103 3.660 -5.900 -5.900
775 1HB PHE 103 HB2 PHE 103 5.221 -5.958 -5.958
776 2HB PHE 103 HB3 PHE 103 4.455 -4.586 -4.586
777 HD1 PHE 103 HD2 PHE 103 5.030 -4.336 -4.336
778 HD2 PHE 103 HD1 PHE 103 6.724 -3.616 -3.616
779 HE1 PHE 103 HE2 PHE 103 6.724 -2.803 -2.803
780 HE2 PHE 103 HE1 PHE 103 8.418 -2.082 -2.082
781 HZ PHE 103 HZ PHE 103 8.397 -1.695 -1.695
782 H ILE 104 HN ILE 104 3.063 -4.583 -4.583
783 HA ILE 104 HA ILE 104 3.041 -1.770 -1.770
784 HB ILE 104 HB ILE 104 0.592 -1.631 -1.631
785 1HG1 ILE 104 HG12 ILE 104 0.490 -4.275 -4.275
786 2HG1 ILE 104 HG13 ILE 104 0.295 -4.079 -4.079
787 1HG2 ILE 104 HG22 ILE 104 1.809 -1.133 -1.133
788 2HG2 ILE 104 HG23 ILE 104 0.565 -2.303 -2.303
789 3HG2 ILE 104 HG21 ILE 104 0.093 -0.808 -0.808
790 1HD1 ILE 104 HD13 ILE 104 -1.616 -2.417 -2.417
791 2HD1 ILE 104 HD11 ILE 104 -1.521 -3.054 -3.054
792 3HD1 ILE 104 HD12 ILE 104 -1.929 -4.141 -4.141
793 H VAL 105 HN VAL 105 3.553 -0.808 -0.808
794 HA VAL 105 HA VAL 105 2.857 -2.120 -2.120
795 HB VAL 105 HB VAL 105 5.538 -1.754 -1.754
796 1HG1 VAL 105 HG11 VAL 105 3.814 -3.688 -3.688
797 2HG1 VAL 105 HG12 VAL 105 4.573 -4.439 -4.439
798 3HG1 VAL 105 HG13 VAL 105 5.565 -4.011 -4.011
799 1HG2 VAL 105 HG22 VAL 105 5.189 -2.892 -2.892
800 2HG2 VAL 105 HG23 VAL 105 6.089 -1.430 -1.430
801 3HG2 VAL 105 HG21 VAL 105 6.676 -3.034 -3.034
802 HA PRO 106 HA PRO 106 2.985 2.005 2.005
803 1HB PRO 106 HB2 PRO 106 3.330 1.783 1.783
804 2HB PRO 106 HB3 PRO 106 1.785 1.544 1.544
805 1HG PRO 106 HG2 PRO 106 3.624 -0.480 -0.480
806 2HG PRO 106 HG3 PRO 106 1.925 -0.642 -0.642
807 1HD PRO 106 HD2 PRO 106 4.147 -1.632 -1.632
808 2HD PRO 106 HD3 PRO 106 2.456 -1.690 -1.690
809 H TRP 107 HN TRP 107 5.630 0.399 0.399
810 HA TRP 107 HA TRP 107 7.748 1.027 1.027
811 1HB TRP 107 HB2 TRP 107 6.796 3.247 3.247
812 2HB TRP 107 HB3 TRP 107 6.926 3.731 3.731
813 HD1 TRP 107 HD1 TRP 107 9.509 2.138 2.138
814 HE1 TRP 107 HE1 TRP 107 11.811 3.421 3.421
815 HE3 TRP 107 HE3 TRP 107 8.038 5.506 5.506
816 HZ2 TRP 107 HZ2 TRP 107 12.738 5.652 5.652
817 HZ3 TRP 107 HZ3 TRP 107 9.702 7.203 7.203
818 HH2 TRP 107 HH2 TRP 107 11.982 7.310 7.310
819 H ASP 108 HN ASP 108 6.394 2.613 2.613
820 HA ASP 108 HA ASP 108 8.674 2.027 2.027
821 1HB ASP 108 HB2 ASP 108 7.172 3.837 3.837
822 2HB ASP 108 HB3 ASP 108 5.809 2.741 2.741
823 H THR 109 HN THR 109 8.211 -0.399 -0.399
824 HA THR 109 HA THR 109 7.607 -2.083 -2.083
825 HB THR 109 HB THR 109 5.830 -3.336 -3.336
826 HG1 THR 109 HG1 THR 109 6.036 -2.166 -2.166
827 1HG2 THR 109 HG23 THR 109 5.305 -1.821 -1.821
828 2HG2 THR 109 HG21 THR 109 5.005 -0.526 -0.526
829 3HG2 THR 109 HG22 THR 109 4.007 -2.000 -2.000
830 H LEU 110 HN LEU 110 7.932 -2.050 -2.050
831 HA LEU 110 HA LEU 110 8.820 -3.943 -3.943
832 1HB LEU 110 HB2 LEU 110 11.081 -2.158 -2.158
833 2HB LEU 110 HB3 LEU 110 11.097 -3.212 -3.212
834 HG LEU 110 HG LEU 110 9.202 -0.874 -0.874
835 1HD1 LEU 110 HD13 LEU 110 11.726 -0.370 -0.370
836 2HD1 LEU 110 HD11 LEU 110 11.551 -0.912 -0.912
837 3HD1 LEU 110 HD12 LEU 110 10.599 0.469 0.469
838 1HD2 LEU 110 HD23 LEU 110 9.109 -3.086 -3.086
839 2HD2 LEU 110 HD21 LEU 110 8.116 -1.609 -1.609
840 3HD2 LEU 110 HD22 LEU 110 9.628 -1.686 -1.686
841 H SER 111 HN SER 111 11.833 -3.647 -3.647
842 HA SER 111 HA SER 111 11.896 -5.062 -5.062
843 1HB SER 111 HB2 SER 111 10.944 -6.925 -6.925
844 2HB SER 111 HB3 SER 111 12.096 -7.567 -7.567
845 HG SER 111 HG SER 111 9.616 -7.626 -7.626
846 H THR 112 HN THR 112 12.946 -5.356 -5.356
847 HA THR 112 HA THR 112 15.432 -4.475 -4.475
848 HB THR 112 HB THR 112 15.230 -7.111 -7.111
849 HG1 THR 112 HG1 THR 112 15.886 -5.127 -5.127
850 1HG2 THR 112 HG23 THR 112 17.351 -6.433 -6.433
851 2HG2 THR 112 HG21 THR 112 17.812 -7.289 -7.289
852 3HG2 THR 112 HG22 THR 112 16.629 -8.016 -8.016
853 H THR 113 HN THR 113 14.083 -7.714 -7.714
854 HA THR 113 HA THR 113 15.370 -7.840 -7.840
855 HB THR 113 HB THR 113 12.702 -8.978 -8.978
856 HG1 THR 113 HG1 THR 113 14.180 -10.237 -10.237
857 1HG2 THR 113 HG22 THR 113 14.532 -9.927 -9.927
858 2HG2 THR 113 HG23 THR 113 13.050 -10.736 -10.736
859 3HG2 THR 113 HG21 THR 113 12.947 -9.154 -9.154
860 H GLN 114 HN GLN 114 12.688 -5.834 -5.834
861 HA GLN 114 HA GLN 114 11.866 -5.382 -5.382
862 1HB GLN 114 HB2 GLN 114 10.914 -4.548 -4.548
863 2HB GLN 114 HB3 GLN 114 10.476 -3.524 -3.524
864 1HG GLN 114 HG2 GLN 114 8.702 -5.004 -5.004
865 2HG GLN 114 HG3 GLN 114 9.832 -5.888 -5.888
866 1HE2 GLN 114 HE22 GLN 114 10.774 -8.237 -8.237
867 2HE2 GLN 114 HE21 GLN 114 11.475 -7.212 -7.212
868 H LYS 115 HN LYS 115 13.791 -3.814 -3.814
869 HA LYS 115 HA LYS 115 13.985 -1.308 -1.308
870 1HB LYS 115 HB2 LYS 115 15.051 -2.628 -2.628
871 2HB LYS 115 HB3 LYS 115 16.205 -1.542 -1.542
872 1HG LYS 115 HG2 LYS 115 14.902 0.347 0.347
873 2HG LYS 115 HG3 LYS 115 13.390 -0.527 -0.527
874 1HD LYS 115 HD2 LYS 115 15.289 -0.526 -0.526
875 2HD LYS 115 HD3 LYS 115 13.660 0.121 0.121
876 1HE LYS 115 HE2 LYS 115 12.974 -2.356 -2.356
877 2HE LYS 115 HE3 LYS 115 14.538 -2.783 -2.783
878 1HZ LYS 115 HZ2 LYS 115 13.743 -1.341 -1.341
879 2HZ LYS 115 HZ3 LYS 115 12.248 -1.611 -1.611
880 3HZ LYS 115 HZ1 LYS 115 13.185 -2.869 -2.869
881 H LYS 116 HN LYS 116 15.875 -4.358 -4.358
882 HA LYS 116 HA LYS 116 18.033 -3.307 -3.307
883 1HB LYS 116 HB2 LYS 116 18.502 -5.708 -5.708
884 2HB LYS 116 HB3 LYS 116 18.296 -5.350 -5.350
885 1HG LYS 116 HG2 LYS 116 16.265 -6.482 -6.482
886 2HG LYS 116 HG3 LYS 116 15.823 -6.137 -6.137
887 1HD LYS 116 HD2 LYS 116 18.146 -7.734 -7.734
888 2HD LYS 116 HD3 LYS 116 17.246 -8.461 -8.461
889 1HE LYS 116 HE2 LYS 116 15.167 -8.288 -8.288
890 2HE LYS 116 HE3 LYS 116 16.330 -8.006 -8.006
891 1HZ LYS 116 HZ2 LYS 116 16.359 -10.335 -10.335
892 2HZ LYS 116 HZ3 LYS 116 15.786 -10.336 -10.336
893 3HZ LYS 116 HZ1 LYS 116 17.375 -10.080 -10.080
894 H SER 117 HN SER 117 14.734 -3.878 -3.878
895 HA SER 117 HA SER 117 15.425 -4.143 -4.143
896 1HB SER 117 HB2 SER 117 13.399 -5.269 -5.269
897 2HB SER 117 HB3 SER 117 12.556 -4.023 -4.023
898 HG SER 117 HG SER 117 13.036 -6.387 -6.387
899 H LEU 118 HN LEU 118 14.939 -1.733 -1.733
900 HA LEU 118 HA LEU 118 13.310 0.027 0.027
901 1HB LEU 118 HB2 LEU 118 14.899 0.288 0.288
902 2HB LEU 118 HB3 LEU 118 14.150 1.677 1.677
903 HG LEU 118 HG LEU 118 12.760 -0.776 -0.776
904 1HD1 LEU 118 HD13 LEU 118 13.496 1.750 1.750
905 2HD1 LEU 118 HD11 LEU 118 11.721 1.648 1.648
906 3HD1 LEU 118 HD12 LEU 118 12.642 0.382 0.382
907 1HD2 LEU 118 HD23 LEU 118 11.670 1.483 1.483
908 2HD2 LEU 118 HD21 LEU 118 11.516 -0.273 -0.273
909 3HD2 LEU 118 HD22 LEU 118 10.645 0.516 0.516
910 H ASN 119 HN ASN 119 16.725 -0.808 -0.808
911 HA ASN 119 HA ASN 119 17.369 1.546 1.546
912 1HB ASN 119 HB2 ASN 119 19.688 1.154 1.154
913 2HB ASN 119 HB3 ASN 119 18.729 0.982 0.982
914 1HD2 ASN 119 HD22 ASN 119 19.451 -2.365 -2.365
915 2HD2 ASN 119 HD21 ASN 119 18.594 -0.927 -0.927
916 H HIS 120 HN HIS 120 16.138 -1.378 -1.378
917 HA HIS 120 HA HIS 120 18.110 -2.275 -2.275
918 1HB HIS 120 HB2 HIS 120 17.118 -4.322 -4.322
919 2HB HIS 120 HB3 HIS 120 16.703 -3.727 -3.727
920 HD1 HIS 120 HD1 HIS 120 14.390 -1.769 -1.769
921 HD2 HIS 120 HD2 HIS 120 14.759 -5.946 -5.946
922 HE1 HIS 120 HE1 HIS 120 12.060 -2.684 -2.684
923 H ARG 121 HN ARG 121 16.602 0.322 0.322
924 HA ARG 121 HA ARG 121 15.474 1.460 1.460
925 1HB ARG 121 HB2 ARG 121 17.068 -0.486 -0.486
926 2HB ARG 121 HB3 ARG 121 15.730 0.211 0.211
927 1HG ARG 121 HG2 ARG 121 17.833 1.557 1.557
928 2HG ARG 121 HG3 ARG 121 16.513 2.485 2.485
929 1HD ARG 121 HD2 ARG 121 18.038 3.035 3.035
930 2HD ARG 121 HD3 ARG 121 17.623 1.474 1.474
931 HE ARG 121 HE ARG 121 19.709 1.262 1.262
932 1HH1 ARG 121 HH22 ARG 121 19.101 2.006 2.006
933 2HH1 ARG 121 HH21 ARG 121 20.704 1.596 1.596
934 1HH2 ARG 121 HH12 ARG 121 21.824 0.721 0.721
935 2HH2 ARG 121 HH11 ARG 121 22.264 0.860 0.860
936 H TYR 122 HN TYR 122 14.973 -1.476 -1.476
937 HA TYR 122 HA TYR 122 12.298 -1.857 -1.857
938 1HB TYR 122 HB2 TYR 122 11.240 -1.189 -1.189
939 2HB TYR 122 HB3 TYR 122 12.474 0.037 0.037
940 HD1 TYR 122 HD1 TYR 122 14.780 -0.439 -0.439
941 HD2 TYR 122 HD2 TYR 122 11.113 -2.384 -2.384
942 HE1 TYR 122 HE1 TYR 122 15.730 -1.028 -1.028
943 HE2 TYR 122 HE2 TYR 122 12.075 -2.967 -2.967
944 HH TYR 122 HH TYR 122 14.020 -1.767 -1.767
945 H GLN 123 HN GLN 123 12.802 -3.998 -3.998
946 HA GLN 123 HA GLN 123 13.223 -6.110 -6.110
947 1HB GLN 123 HB2 GLN 123 11.227 -6.108 -6.108
948 2HB GLN 123 HB3 GLN 123 12.098 -5.484 -5.484
949 1HG GLN 123 HG2 GLN 123 13.490 -7.848 -7.848
950 2HG GLN 123 HG3 GLN 123 11.785 -8.248 -8.248
951 1HE2 GLN 123 HE22 GLN 123 12.084 -9.075 -9.075
952 2HE2 GLN 123 HE21 GLN 123 11.953 -9.629 -9.629
953 H MET 124 HN MET 124 15.572 -5.064 -5.064
954 HA MET 124 HA MET 124 17.091 -5.065 -5.065
955 1HB MET 124 HB2 MET 124 17.434 -4.633 -4.633
956 2HB MET 124 HB3 MET 124 18.769 -5.596 -5.596
957 1HG MET 124 HG2 MET 124 18.104 -3.351 -3.351
958 2HG MET 124 HG3 MET 124 18.532 -2.806 -2.806
959 1HE MET 124 HE2 MET 124 19.804 -2.343 -2.343
960 2HE MET 124 HE3 MET 124 21.490 -2.896 -2.896
961 3HE MET 124 HE1 MET 124 20.164 -3.943 -3.943
962 H GLY 125 HN GLY 125 15.912 -7.340 -7.340
963 1HA GLY 125 HA1 GLY 125 16.144 -9.546 -9.546
964 2HA GLY 125 HA2 GLY 125 17.869 -9.250 -9.250
965 H CYS 126 HN CYS 126 15.823 -8.535 -8.535
966 HA CYS 126 HA CYS 126 17.364 -10.025 -10.025
967 1HB CYS 126 HB2 CYS 126 15.960 -9.327 -9.327
968 2HB CYS 126 HB3 CYS 126 15.565 -8.162 -8.162
969 H GLU 127 HN GLU 127 15.679 -11.682 -11.682
970 HA GLU 127 HA GLU 127 14.097 -13.400 -13.400
971 1HB GLU 127 HB2 GLU 127 16.256 -13.956 -13.956
972 2HB GLU 127 HB3 GLU 127 16.929 -14.475 -14.475
973 1HG GLU 127 HG2 GLU 127 16.158 -16.517 -16.517
974 2HG GLU 127 HG3 GLU 127 14.768 -16.019 -16.019
Start of MODEL 34
1 H CYS 1 HN CYS 1 -7.453 -8.442 -8.442
2 HA CYS 1 HA CYS 1 -9.257 -9.068 -9.068
3 1HB CYS 1 HB2 CYS 1 -8.939 -10.713 -10.713
4 2HB CYS 1 HB3 CYS 1 -10.369 -10.861 -10.861
5 H SER 2 HN SER 2 -8.491 -9.913 -9.913
6 HA SER 2 HA SER 2 -8.075 -11.405 -11.405
7 1HB SER 2 HB2 SER 2 -9.159 -13.838 -13.838
8 2HB SER 2 HB3 SER 2 -9.859 -12.778 -12.778
9 HG SER 2 HG SER 2 -11.143 -11.841 -11.841
10 H CYS 3 HN CYS 3 -6.335 -11.223 -11.223
11 HA CYS 3 HA CYS 3 -5.251 -13.791 -13.791
12 1HB CYS 3 HB2 CYS 3 -5.114 -11.445 -11.445
13 2HB CYS 3 HB3 CYS 3 -3.552 -11.428 -11.428
14 H SER 4 HN SER 4 -2.700 -14.048 -14.048
15 HA SER 4 HA SER 4 -2.326 -13.327 -13.327
16 1HB SER 4 HB2 SER 4 -0.939 -15.299 -15.299
17 2HB SER 4 HB3 SER 4 -2.426 -15.777 -15.777
18 HG SER 4 HG SER 4 -0.401 -16.620 -16.620
19 HA PRO 5 HA PRO 5 0.861 -10.818 -10.818
20 1HB PRO 5 HB2 PRO 5 1.256 -9.212 -9.212
21 2HB PRO 5 HB3 PRO 5 0.053 -8.880 -8.880
22 1HG PRO 5 HG2 PRO 5 -0.336 -9.930 -9.930
23 2HG PRO 5 HG3 PRO 5 -1.514 -9.201 -9.201
24 1HD PRO 5 HD2 PRO 5 -1.213 -11.995 -11.995
25 2HD PRO 5 HD3 PRO 5 -2.312 -11.276 -11.276
26 H VAL 6 HN VAL 6 2.918 -11.369 -11.369
27 HA VAL 6 HA VAL 6 4.474 -11.988 -11.988
28 HB VAL 6 HB VAL 6 3.280 -14.102 -14.102
29 1HG1 VAL 6 HG12 VAL 6 4.190 -13.390 -13.390
30 2HG1 VAL 6 HG13 VAL 6 4.926 -14.945 -14.945
31 3HG1 VAL 6 HG11 VAL 6 3.157 -14.753 -14.753
32 1HG2 VAL 6 HG23 VAL 6 6.188 -13.713 -13.713
33 2HG2 VAL 6 HG21 VAL 6 5.066 -14.755 -14.755
34 3HG2 VAL 6 HG22 VAL 6 5.718 -15.299 -15.299
35 H HIS 7 HN HIS 7 6.161 -13.536 -13.536
36 HA HIS 7 HA HIS 7 8.074 -12.897 -12.897
37 1HB HIS 7 HB2 HIS 7 7.477 -11.362 -11.362
38 2HB HIS 7 HB3 HIS 7 7.006 -13.048 -13.048
39 HD1 HIS 7 HD1 HIS 7 4.618 -13.461 -13.461
40 HD2 HIS 7 HD2 HIS 7 5.205 -9.628 -9.628
41 HE1 HIS 7 HE1 HIS 7 2.346 -12.300 -12.300
42 HA PRO 8 HA PRO 8 8.780 -9.021 -9.021
43 1HB PRO 8 HB2 PRO 8 11.110 -9.751 -9.751
44 2HB PRO 8 HB3 PRO 8 9.535 -9.937 -9.937
45 1HG PRO 8 HG2 PRO 8 11.278 -12.007 -12.007
46 2HG PRO 8 HG3 PRO 8 9.934 -12.206 -12.206
47 1HD PRO 8 HD2 PRO 8 9.924 -12.714 -12.714
48 2HD PRO 8 HD3 PRO 8 8.551 -12.802 -12.802
49 H GLN 9 HN GLN 9 10.025 -10.546 -10.546
50 HA GLN 9 HA GLN 9 11.693 -8.225 -8.225
51 1HB GLN 9 HB2 GLN 9 13.227 -10.034 -10.034
52 2HB GLN 9 HB3 GLN 9 12.491 -11.126 -11.126
53 1HG GLN 9 HG2 GLN 9 13.898 -10.376 -10.376
54 2HG GLN 9 HG3 GLN 9 13.203 -8.773 -8.773
55 1HE2 GLN 9 HE22 GLN 9 15.614 -7.780 -7.780
56 2HE2 GLN 9 HE21 GLN 9 13.897 -7.902 -7.902
57 H GLN 10 HN GLN 10 9.958 -11.128 -11.128
58 HA GLN 10 HA GLN 10 10.076 -10.386 -10.386
59 1HB GLN 10 HB2 GLN 10 9.154 -12.436 -12.436
60 2HB GLN 10 HB3 GLN 10 8.926 -12.476 -12.476
61 1HG GLN 10 HG2 GLN 10 6.719 -12.718 -12.718
62 2HG GLN 10 HG3 GLN 10 6.794 -10.977 -10.977
63 1HE2 GLN 10 HE22 GLN 10 5.207 -11.595 -11.595
64 2HE2 GLN 10 HE21 GLN 10 4.886 -11.850 -11.850
65 H ALA 11 HN ALA 11 8.592 -8.789 -8.789
66 HA ALA 11 HA ALA 11 6.244 -7.926 -7.926
67 1HB ALA 11 HB1 ALA 11 7.313 -7.855 -7.855
68 2HB ALA 11 HB2 ALA 11 6.632 -6.285 -6.285
69 3HB ALA 11 HB3 ALA 11 5.628 -7.752 -7.752
70 H PHE 12 HN PHE 12 9.568 -6.823 -6.823
71 HA PHE 12 HA PHE 12 8.987 -4.238 -4.238
72 1HB PHE 12 HB2 PHE 12 11.479 -5.591 -5.591
73 2HB PHE 12 HB3 PHE 12 11.465 -3.928 -3.928
74 HD1 PHE 12 HD1 PHE 12 9.075 -5.928 -5.928
75 HD2 PHE 12 HD2 PHE 12 11.572 -2.507 -2.507
76 HE1 PHE 12 HE1 PHE 12 8.290 -5.182 -5.182
77 HE2 PHE 12 HE2 PHE 12 10.786 -1.760 -1.760
78 HZ PHE 12 HZ PHE 12 9.155 -3.107 -3.107
79 H CYS 13 HN CYS 13 9.351 -7.197 -7.197
80 HA CYS 13 HA CYS 13 11.132 -6.227 -6.227
81 1HB CYS 13 HB2 CYS 13 10.821 -8.910 -8.910
82 2HB CYS 13 HB3 CYS 13 11.167 -8.852 -8.852
83 H ASN 14 HN ASN 14 7.938 -6.891 -6.891
84 HA ASN 14 HA ASN 14 7.150 -7.656 -7.656
85 1HB ASN 14 HB2 ASN 14 6.278 -8.492 -8.492
86 2HB ASN 14 HB3 ASN 14 4.997 -7.426 -7.426
87 1HD2 ASN 14 HD22 ASN 14 5.684 -11.082 -11.082
88 2HD2 ASN 14 HD21 ASN 14 6.741 -10.375 -10.375
89 H ALA 15 HN ALA 15 6.702 -5.250 -5.250
90 HA ALA 15 HA ALA 15 4.674 -3.730 -3.730
91 1HB ALA 15 HB3 ALA 15 7.103 -2.902 -2.902
92 2HB ALA 15 HB1 ALA 15 5.642 -1.912 -1.912
93 3HB ALA 15 HB2 ALA 15 5.537 -3.464 -3.464
94 H ASP 16 HN ASP 16 5.001 -1.373 -1.373
95 HA ASP 16 HA ASP 16 7.276 -1.245 -1.245
96 1HB ASP 16 HB2 ASP 16 4.396 -1.488 -1.488
97 2HB ASP 16 HB3 ASP 16 5.332 -0.290 -0.290
98 H VAL 17 HN VAL 17 5.724 0.070 0.070
99 HA VAL 17 HA VAL 17 6.496 2.730 2.730
100 HB VAL 17 HB VAL 17 4.428 2.764 2.764
101 1HG1 VAL 17 HG12 VAL 17 3.500 1.062 1.062
102 2HG1 VAL 17 HG13 VAL 17 2.414 2.460 2.460
103 3HG1 VAL 17 HG11 VAL 17 2.745 1.411 1.411
104 1HG2 VAL 17 HG22 VAL 17 5.109 4.710 4.710
105 2HG2 VAL 17 HG23 VAL 17 3.408 4.661 4.661
106 3HG2 VAL 17 HG21 VAL 17 3.848 4.147 4.147
107 H VAL 18 HN VAL 18 7.781 2.505 2.505
108 HA VAL 18 HA VAL 18 6.326 1.951 1.951
109 HB VAL 18 HB VAL 18 9.277 2.225 2.225
110 1HG1 VAL 18 HG12 VAL 18 7.200 0.964 0.964
111 2HG1 VAL 18 HG13 VAL 18 8.494 -0.187 -0.187
112 3HG1 VAL 18 HG11 VAL 18 8.889 1.338 1.338
113 1HG2 VAL 18 HG21 VAL 18 8.744 1.034 1.034
114 2HG2 VAL 18 HG22 VAL 18 9.687 0.067 0.067
115 3HG2 VAL 18 HG23 VAL 18 7.944 -0.232 -0.232
116 H ILE 19 HN ILE 19 5.621 3.681 3.681
117 HA ILE 19 HA ILE 19 7.382 5.996 5.996
118 HB ILE 19 HB ILE 19 5.676 7.557 7.557
119 1HG1 ILE 19 HG12 ILE 19 3.874 5.206 5.206
120 2HG1 ILE 19 HG13 ILE 19 3.628 6.871 6.871
121 1HG2 ILE 19 HG23 ILE 19 6.984 6.278 6.278
122 2HG2 ILE 19 HG21 ILE 19 5.415 5.520 5.520
123 3HG2 ILE 19 HG22 ILE 19 5.595 7.287 7.287
124 1HD1 ILE 19 HD12 ILE 19 3.608 7.384 7.384
125 2HD1 ILE 19 HD13 ILE 19 3.303 5.638 5.638
126 3HD1 ILE 19 HD11 ILE 19 2.165 6.658 6.658
127 H ARG 20 HN ARG 20 7.593 6.670 6.670
128 HA ARG 20 HA ARG 20 6.105 5.282 5.282
129 1HB ARG 20 HB2 ARG 20 8.078 7.608 7.608
130 2HB ARG 20 HB3 ARG 20 7.476 6.661 6.661
131 1HG ARG 20 HG2 ARG 20 8.634 4.705 4.705
132 2HG ARG 20 HG3 ARG 20 8.785 5.246 5.246
133 1HD ARG 20 HD2 ARG 20 10.899 5.355 5.355
134 2HD ARG 20 HD3 ARG 20 10.579 6.700 6.700
135 HE ARG 20 HE ARG 20 9.200 7.314 7.314
136 1HH1 ARG 20 HH22 ARG 20 12.540 6.688 6.688
137 2HH1 ARG 20 HH21 ARG 20 13.203 7.689 7.689
138 1HH2 ARG 20 HH12 ARG 20 10.075 8.634 8.634
139 2HH2 ARG 20 HH11 ARG 20 11.792 8.803 8.803
140 H THR 21 HN THR 21 4.409 6.869 6.869
141 HA THR 21 HA THR 21 3.788 9.388 9.388
142 HB THR 21 HB THR 21 3.025 8.631 8.631
143 HG1 THR 21 HG1 THR 21 1.614 10.010 10.010
144 1HG2 THR 21 HG21 THR 21 2.703 6.148 6.148
145 2HG2 THR 21 HG22 THR 21 1.092 6.715 6.715
146 3HG2 THR 21 HG23 THR 21 1.568 6.785 6.785
147 H LYS 22 HN LYS 22 1.574 9.924 9.924
148 HA LYS 22 HA LYS 22 1.086 8.005 8.005
149 1HB LYS 22 HB2 LYS 22 0.936 9.801 9.801
150 2HB LYS 22 HB3 LYS 22 2.485 9.900 9.900
151 1HG LYS 22 HG2 LYS 22 1.686 11.700 11.700
152 2HG LYS 22 HG3 LYS 22 0.045 11.513 11.513
153 1HD LYS 22 HD2 LYS 22 2.459 12.573 12.573
154 2HD LYS 22 HD3 LYS 22 0.956 13.405 13.405
155 1HE LYS 22 HE2 LYS 22 -0.180 11.497 11.497
156 2HE LYS 22 HE3 LYS 22 1.438 11.153 11.153
157 1HZ LYS 22 HZ1 LYS 22 1.031 13.895 13.895
158 2HZ LYS 22 HZ2 LYS 22 -0.261 13.172 13.172
159 3HZ LYS 22 HZ3 LYS 22 1.245 12.846 12.846
160 H ALA 23 HN ALA 23 -0.971 7.287 7.287
161 HA ALA 23 HA ALA 23 -2.906 8.765 8.765
162 1HB ALA 23 HB2 ALA 23 -2.624 6.346 6.346
163 2HB ALA 23 HB3 ALA 23 -3.010 6.032 6.032
164 3HB ALA 23 HB1 ALA 23 -4.252 6.704 6.704
165 H VAL 24 HN VAL 24 -3.932 10.406 10.406
166 HA VAL 24 HA VAL 24 -4.654 9.926 9.926
167 HB VAL 24 HB VAL 24 -4.907 12.517 12.517
168 1HG1 VAL 24 HG13 VAL 24 -2.412 10.870 10.870
169 2HG1 VAL 24 HG11 VAL 24 -2.290 12.644 12.644
170 3HG1 VAL 24 HG12 VAL 24 -3.311 11.777 11.777
171 1HG2 VAL 24 HG21 VAL 24 -4.522 12.472 12.472
172 2HG2 VAL 24 HG22 VAL 24 -3.623 13.685 13.685
173 3HG2 VAL 24 HG23 VAL 24 -2.805 12.205 12.205
174 H SER 25 HN SER 25 -5.750 10.854 10.854
175 HA SER 25 HA SER 25 -8.468 10.748 10.748
176 1HB SER 25 HB2 SER 25 -8.284 12.962 12.962
177 2HB SER 25 HB3 SER 25 -7.190 12.545 12.545
178 HG SER 25 HG SER 25 -9.039 11.456 11.456
179 H GLU 26 HN GLU 26 -10.115 9.988 9.988
180 HA GLU 26 HA GLU 26 -8.911 8.355 8.355
181 1HB GLU 26 HB2 GLU 26 -10.518 7.269 7.269
182 2HB GLU 26 HB3 GLU 26 -10.525 6.437 6.437
183 1HG GLU 26 HG2 GLU 26 -8.614 5.414 5.414
184 2HG GLU 26 HG3 GLU 26 -7.806 6.941 6.941
185 H LYS 27 HN LYS 27 -11.124 7.008 7.008
186 HA LYS 27 HA LYS 27 -13.371 8.806 8.806
187 1HB LYS 27 HB2 LYS 27 -11.855 9.863 9.863
188 2HB LYS 27 HB3 LYS 27 -11.703 8.353 8.353
189 1HG LYS 27 HG2 LYS 27 -13.859 8.474 8.474
190 2HG LYS 27 HG3 LYS 27 -14.496 9.339 9.339
191 1HD LYS 27 HD2 LYS 27 -14.261 10.679 10.679
192 2HD LYS 27 HD3 LYS 27 -13.631 11.432 11.432
193 1HE LYS 27 HE2 LYS 27 -11.341 10.789 10.789
194 2HE LYS 27 HE3 LYS 27 -11.893 9.782 9.782
195 1HZ LYS 27 HZ3 LYS 27 -12.757 12.518 12.518
196 2HZ LYS 27 HZ1 LYS 27 -11.148 12.296 12.296
197 3HZ LYS 27 HZ2 LYS 27 -12.190 11.555 11.555
198 H GLU 28 HN GLU 28 -15.077 7.472 7.472
199 HA GLU 28 HA GLU 28 -14.749 4.717 4.717
200 1HB GLU 28 HB2 GLU 28 -16.064 5.315 5.315
201 2HB GLU 28 HB3 GLU 28 -17.081 6.395 6.395
202 1HG GLU 28 HG2 GLU 28 -17.589 4.163 4.163
203 2HG GLU 28 HG3 GLU 28 -17.085 3.377 3.377
204 H VAL 29 HN VAL 29 -14.462 4.420 4.420
205 HA VAL 29 HA VAL 29 -16.611 5.453 5.453
206 HB VAL 29 HB VAL 29 -15.026 4.915 4.915
207 1HG1 VAL 29 HG11 VAL 29 -14.993 7.069 7.069
208 2HG1 VAL 29 HG12 VAL 29 -13.289 6.682 6.682
209 3HG1 VAL 29 HG13 VAL 29 -14.401 7.052 7.052
210 1HG2 VAL 29 HG23 VAL 29 -13.675 3.469 3.469
211 2HG2 VAL 29 HG21 VAL 29 -13.170 3.720 3.720
212 3HG2 VAL 29 HG22 VAL 29 -12.614 4.836 4.836
213 H ASP 30 HN ASP 30 -18.265 4.057 4.057
214 HA ASP 30 HA ASP 30 -18.144 1.406 1.406
215 1HB ASP 30 HB2 ASP 30 -19.991 2.280 2.280
216 2HB ASP 30 HB3 ASP 30 -20.340 1.276 1.276
217 H SER 31 HN SER 31 -18.095 -0.549 -0.549
218 HA SER 31 HA SER 31 -17.110 -0.047 -0.047
219 1HB SER 31 HB2 SER 31 -15.058 -0.565 -0.565
220 2HB SER 31 HB3 SER 31 -15.769 -1.571 -1.571
221 HG SER 31 HG SER 31 -16.175 -3.212 -3.212
222 H GLY 32 HN GLY 32 -19.684 -1.002 -1.002
223 1HA GLY 32 HA1 GLY 32 -21.389 -2.356 -2.356
224 2HA GLY 32 HA2 GLY 32 -20.396 -3.020 -3.020
225 H ASN 33 HN ASN 33 -21.919 -4.862 -4.862
226 HA ASN 33 HA ASN 33 -20.610 -5.936 -5.936
227 1HB ASN 33 HB2 ASN 33 -22.584 -7.514 -7.514
228 2HB ASN 33 HB3 ASN 33 -22.411 -7.478 -7.478
229 1HD2 ASN 33 HD22 ASN 33 -25.477 -5.608 -5.608
230 2HD2 ASN 33 HD21 ASN 33 -24.805 -7.169 -7.169
231 H ASP 34 HN ASP 34 -19.838 -8.318 -8.318
232 HA ASP 34 HA ASP 34 -18.289 -8.678 -8.678
233 1HB ASP 34 HB2 ASP 34 -17.541 -8.881 -8.881
234 2HB ASP 34 HB3 ASP 34 -18.145 -10.516 -10.516
235 H ILE 35 HN ILE 35 -17.927 -11.566 -11.566
236 HA ILE 35 HA ILE 35 -20.371 -12.431 -12.431
237 HB ILE 35 HB ILE 35 -17.790 -13.874 -13.874
238 1HG1 ILE 35 HG12 ILE 35 -17.491 -13.610 -13.610
239 2HG1 ILE 35 HG13 ILE 35 -18.801 -12.447 -12.447
240 1HG2 ILE 35 HG23 ILE 35 -20.310 -14.734 -14.734
241 2HG2 ILE 35 HG21 ILE 35 -18.734 -15.386 -15.386
242 3HG2 ILE 35 HG22 ILE 35 -19.292 -15.614 -15.614
243 1HD1 ILE 35 HD13 ILE 35 -16.505 -12.139 -12.139
244 2HD1 ILE 35 HD11 ILE 35 -16.304 -11.618 -11.618
245 3HD1 ILE 35 HD12 ILE 35 -17.577 -10.891 -10.891
246 H TYR 36 HN TYR 36 -19.516 -11.914 -11.914
247 HA TYR 36 HA TYR 36 -20.809 -14.341 -14.341
248 1HB TYR 36 HB2 TYR 36 -18.564 -13.207 -13.207
249 2HB TYR 36 HB3 TYR 36 -19.585 -11.945 -11.945
250 HD1 TYR 36 HD2 TYR 36 -21.015 -12.365 -12.365
251 HD2 TYR 36 HD1 TYR 36 -18.520 -15.445 -15.445
252 HE1 TYR 36 HE2 TYR 36 -21.333 -13.739 -13.739
253 HE2 TYR 36 HE1 TYR 36 -18.845 -16.808 -16.808
254 HH TYR 36 HH TYR 36 -20.640 -15.476 -15.476
255 H GLY 37 HN GLY 37 -21.450 -11.013 -11.013
256 1HA GLY 37 HA1 GLY 37 -23.670 -10.228 -10.228
257 2HA GLY 37 HA2 GLY 37 -24.059 -11.241 -11.241
258 H ASN 38 HN ASN 38 -21.095 -10.187 -10.187
259 HA ASN 38 HA ASN 38 -22.241 -8.162 -8.162
260 1HB ASN 38 HB2 ASN 38 -19.609 -8.100 -8.100
261 2HB ASN 38 HB3 ASN 38 -20.691 -9.335 -9.335
262 1HD2 ASN 38 HD22 ASN 38 -18.373 -10.299 -10.299
263 2HD2 ASN 38 HD21 ASN 38 -19.152 -8.758 -8.758
264 HA PRO 39 HA PRO 39 -20.629 -4.825 -4.825
265 1HB PRO 39 HB2 PRO 39 -20.290 -2.885 -2.885
266 2HB PRO 39 HB3 PRO 39 -21.846 -3.274 -3.274
267 1HG PRO 39 HG2 PRO 39 -20.803 -3.953 -3.953
268 2HG PRO 39 HG3 PRO 39 -22.462 -3.951 -3.951
269 1HD PRO 39 HD2 PRO 39 -20.789 -6.247 -6.247
270 2HD PRO 39 HD3 PRO 39 -22.407 -6.234 -6.234
271 H ILE 40 HN ILE 40 -18.782 -4.373 -4.373
272 HA ILE 40 HA ILE 40 -16.414 -5.384 -5.384
273 HB ILE 40 HB ILE 40 -17.024 -3.624 -3.624
274 1HG1 ILE 40 HG12 ILE 40 -16.094 -6.504 -6.504
275 2HG1 ILE 40 HG13 ILE 40 -17.764 -6.010 -6.010
276 1HG2 ILE 40 HG22 ILE 40 -14.329 -4.701 -4.701
277 2HG2 ILE 40 HG23 ILE 40 -14.687 -4.000 -4.000
278 3HG2 ILE 40 HG21 ILE 40 -14.811 -2.993 -2.993
279 1HD1 ILE 40 HD11 ILE 40 -15.507 -5.255 -5.255
280 2HD1 ILE 40 HD12 ILE 40 -16.689 -6.557 -6.557
281 3HD1 ILE 40 HD13 ILE 40 -17.231 -4.864 -4.864
282 H LYS 41 HN LYS 41 -16.901 -1.942 -1.942
283 HA LYS 41 HA LYS 41 -16.362 -0.038 -0.038
284 1HB LYS 41 HB2 LYS 41 -17.744 -0.812 -0.812
285 2HB LYS 41 HB3 LYS 41 -16.368 -1.638 -1.638
286 1HG LYS 41 HG2 LYS 41 -16.538 0.478 0.478
287 2HG LYS 41 HG3 LYS 41 -15.153 0.604 0.604
288 1HD LYS 41 HD2 LYS 41 -16.375 2.640 2.640
289 2HD LYS 41 HD3 LYS 41 -16.717 1.673 1.673
290 1HE LYS 41 HE2 LYS 41 -18.812 0.820 0.820
291 2HE LYS 41 HE3 LYS 41 -18.517 2.169 2.169
292 1HZ LYS 41 HZ2 LYS 41 -18.394 3.000 3.000
293 2HZ LYS 41 HZ3 LYS 41 -19.817 2.252 2.252
294 3HZ LYS 41 HZ1 LYS 41 -19.367 3.535 3.535
295 H ARG 42 HN ARG 42 -14.449 0.960 0.960
296 HA ARG 42 HA ARG 42 -12.102 -0.445 -0.445
297 1HB ARG 42 HB2 ARG 42 -11.174 0.953 0.953
298 2HB ARG 42 HB3 ARG 42 -11.510 -0.765 -0.765
299 1HG ARG 42 HG2 ARG 42 -13.940 -0.203 -0.203
300 2HG ARG 42 HG3 ARG 42 -13.418 1.449 1.449
301 1HD ARG 42 HD2 ARG 42 -11.581 0.352 0.352
302 2HD ARG 42 HD3 ARG 42 -12.642 -1.042 -1.042
303 HE ARG 42 HE ARG 42 -14.158 0.122 0.122
304 1HH1 ARG 42 HH22 ARG 42 -11.907 2.409 2.409
305 2HH1 ARG 42 HH21 ARG 42 -12.474 3.753 3.753
306 1HH2 ARG 42 HH12 ARG 42 -14.907 1.896 1.896
307 2HH2 ARG 42 HH11 ARG 42 -14.192 3.459 3.459
308 H ILE 43 HN ILE 43 -12.691 1.194 1.194
309 HA ILE 43 HA ILE 43 -12.762 3.852 3.852
310 HB ILE 43 HB ILE 43 -12.035 1.892 1.892
311 1HG1 ILE 43 HG12 ILE 43 -12.832 3.898 3.898
312 2HG1 ILE 43 HG13 ILE 43 -13.257 4.637 4.637
313 1HG2 ILE 43 HG21 ILE 43 -10.398 4.439 4.439
314 2HG2 ILE 43 HG22 ILE 43 -10.568 3.244 3.244
315 3HG2 ILE 43 HG23 ILE 43 -9.777 2.785 2.785
316 1HD1 ILE 43 HD12 ILE 43 -14.219 2.005 2.005
317 2HD1 ILE 43 HD13 ILE 43 -14.585 2.452 2.452
318 3HD1 ILE 43 HD11 ILE 43 -15.192 3.455 3.455
319 H GLN 44 HN GLN 44 -11.277 5.629 5.629
320 HA GLN 44 HA GLN 44 -8.976 4.986 4.986
321 1HB GLN 44 HB2 GLN 44 -10.339 7.606 7.606
322 2HB GLN 44 HB3 GLN 44 -8.843 7.550 7.550
323 1HG GLN 44 HG2 GLN 44 -11.583 6.532 6.532
324 2HG GLN 44 HG3 GLN 44 -10.533 7.640 7.640
325 1HE2 GLN 44 HE22 GLN 44 -10.060 3.550 3.550
326 2HE2 GLN 44 HE21 GLN 44 -11.043 4.310 4.310
327 H TYR 45 HN TYR 45 -7.042 6.766 6.766
328 HA TYR 45 HA TYR 45 -6.591 6.693 6.693
329 1HB TYR 45 HB2 TYR 45 -5.140 5.417 5.417
330 2HB TYR 45 HB3 TYR 45 -4.103 6.200 6.200
331 HD1 TYR 45 HD2 TYR 45 -6.043 5.539 5.539
332 HD2 TYR 45 HD1 TYR 45 -4.267 3.199 3.199
333 HE1 TYR 45 HE2 TYR 45 -6.161 3.472 3.472
334 HE2 TYR 45 HE1 TYR 45 -4.391 1.140 1.140
335 HH TYR 45 HH TYR 45 -4.573 1.119 1.119
336 H GLU 46 HN GLU 46 -7.338 9.024 9.024
337 HA GLU 46 HA GLU 46 -5.681 10.638 10.638
338 1HB GLU 46 HB2 GLU 46 -8.112 10.989 10.989
339 2HB GLU 46 HB3 GLU 46 -7.213 11.750 11.750
340 1HG GLU 46 HG2 GLU 46 -6.186 13.344 13.344
341 2HG GLU 46 HG3 GLU 46 -6.844 12.498 12.498
342 H ILE 47 HN ILE 47 -3.580 9.631 9.631
343 HA ILE 47 HA ILE 47 -2.760 10.230 10.230
344 HB ILE 47 HB ILE 47 -0.518 9.664 9.664
345 1HG1 ILE 47 HG12 ILE 47 -1.894 9.918 9.918
346 2HG1 ILE 47 HG13 ILE 47 -0.311 10.481 10.481
347 1HG2 ILE 47 HG21 ILE 47 -2.839 8.015 8.015
348 2HG2 ILE 47 HG22 ILE 47 -1.808 7.438 7.438
349 3HG2 ILE 47 HG23 ILE 47 -1.142 7.580 7.580
350 1HD1 ILE 47 HD11 ILE 47 -0.054 7.740 7.740
351 2HD1 ILE 47 HD12 ILE 47 -1.118 7.849 7.849
352 3HD1 ILE 47 HD13 ILE 47 0.473 8.646 8.646
353 H LYS 48 HN LYS 48 -0.284 11.495 11.495
354 HA LYS 48 HA LYS 48 -0.989 14.132 14.132
355 1HB LYS 48 HB2 LYS 48 -1.203 13.698 13.698
356 2HB LYS 48 HB3 LYS 48 0.534 13.920 13.920
357 1HG LYS 48 HG2 LYS 48 0.340 16.137 16.137
358 2HG LYS 48 HG3 LYS 48 -1.344 15.898 15.898
359 1HD LYS 48 HD2 LYS 48 -0.695 17.268 17.268
360 2HD LYS 48 HD3 LYS 48 -2.091 16.211 16.211
361 1HE LYS 48 HE2 LYS 48 -0.819 14.419 14.419
362 2HE LYS 48 HE3 LYS 48 0.682 15.300 15.300
363 1HZ LYS 48 HZ3 LYS 48 -1.376 16.743 16.743
364 2HZ LYS 48 HZ1 LYS 48 -0.850 15.413 15.413
365 3HZ LYS 48 HZ2 LYS 48 0.208 16.584 16.584
366 H GLN 49 HN GLN 49 0.882 11.509 11.509
367 HA GLN 49 HA GLN 49 2.900 11.091 11.091
368 1HB GLN 49 HB2 GLN 49 2.520 12.026 12.026
369 2HB GLN 49 HB3 GLN 49 2.038 13.574 13.574
370 1HG GLN 49 HG2 GLN 49 4.172 13.772 13.772
371 2HG GLN 49 HG3 GLN 49 4.399 14.165 14.165
372 1HE2 GLN 49 HE22 GLN 49 5.612 10.396 10.396
373 2HE2 GLN 49 HE21 GLN 49 4.120 11.097 11.097
374 H ILE 50 HN ILE 50 4.639 10.918 10.918
375 HA ILE 50 HA ILE 50 5.748 13.430 13.430
376 HB ILE 50 HB ILE 50 5.615 12.716 12.716
377 1HG1 ILE 50 HG12 ILE 50 6.859 10.212 10.212
378 2HG1 ILE 50 HG13 ILE 50 7.512 11.381 11.381
379 1HG2 ILE 50 HG23 ILE 50 3.417 11.895 11.895
380 2HG2 ILE 50 HG21 ILE 50 4.094 10.264 10.264
381 3HG2 ILE 50 HG22 ILE 50 3.836 11.321 11.321
382 1HD1 ILE 50 HD13 ILE 50 5.197 9.481 9.481
383 2HD1 ILE 50 HD11 ILE 50 6.880 9.252 9.252
384 3HD1 ILE 50 HD12 ILE 50 5.931 10.626 10.626
385 H LYS 51 HN LYS 51 6.218 10.226 10.226
386 HA LYS 51 HA LYS 51 8.860 11.048 11.048
387 1HB LYS 51 HB2 LYS 51 8.575 9.461 9.461
388 2HB LYS 51 HB3 LYS 51 9.106 8.372 8.372
389 1HG LYS 51 HG2 LYS 51 10.679 10.660 10.660
390 2HG LYS 51 HG3 LYS 51 10.578 10.562 10.562
391 1HD LYS 51 HD2 LYS 51 11.597 8.422 8.422
392 2HD LYS 51 HD3 LYS 51 11.193 8.057 8.057
393 1HE LYS 51 HE2 LYS 51 12.912 9.478 9.478
394 2HE LYS 51 HE3 LYS 51 13.067 10.359 10.359
395 1HZ LYS 51 HZ3 LYS 51 13.560 7.707 7.707
396 2HZ LYS 51 HZ1 LYS 51 14.407 8.051 8.051
397 3HZ LYS 51 HZ2 LYS 51 14.632 8.940 8.940
398 H MET 52 HN MET 52 9.803 9.314 9.314
399 HA MET 52 HA MET 52 7.723 7.694 7.694
400 1HB MET 52 HB2 MET 52 8.237 8.650 8.650
401 2HB MET 52 HB3 MET 52 7.519 9.836 9.836
402 1HG MET 52 HG2 MET 52 10.153 10.261 10.261
403 2HG MET 52 HG3 MET 52 10.322 9.685 9.685
404 1HE MET 52 HE2 MET 52 11.152 11.279 11.279
405 2HE MET 52 HE3 MET 52 10.148 12.441 12.441
406 3HE MET 52 HE1 MET 52 11.049 12.973 12.973
407 H PHE 53 HN PHE 53 9.361 6.210 6.210
408 HA PHE 53 HA PHE 53 11.933 5.859 5.859
409 1HB PHE 53 HB2 PHE 53 9.523 4.125 4.125
410 2HB PHE 53 HB3 PHE 53 10.878 3.266 3.266
411 HD1 PHE 53 HD2 PHE 53 13.150 4.629 4.629
412 HD2 PHE 53 HD1 PHE 53 9.420 3.289 3.289
413 HE1 PHE 53 HE2 PHE 53 14.169 4.371 4.371
414 HE2 PHE 53 HE1 PHE 53 10.439 3.032 3.032
415 HZ PHE 53 HZ PHE 53 12.801 3.576 3.576
416 H LYS 54 HN LYS 54 9.687 3.765 3.765
417 HA LYS 54 HA LYS 54 11.277 4.436 4.436
418 1HB LYS 54 HB2 LYS 54 12.085 2.310 2.310
419 2HB LYS 54 HB3 LYS 54 10.463 1.698 1.698
420 1HG LYS 54 HG2 LYS 54 11.400 0.832 0.832
421 2HG LYS 54 HG3 LYS 54 10.006 1.847 1.847
422 1HD LYS 54 HD2 LYS 54 12.546 3.368 3.368
423 2HD LYS 54 HD3 LYS 54 12.527 2.129 2.129
424 1HE LYS 54 HE2 LYS 54 11.258 3.484 3.484
425 2HE LYS 54 HE3 LYS 54 9.963 3.366 3.366
426 1HZ LYS 54 HZ1 LYS 54 12.166 5.235 5.235
427 2HZ LYS 54 HZ2 LYS 54 10.908 5.640 5.640
428 3HZ LYS 54 HZ3 LYS 54 10.654 5.284 5.284
429 H GLY 55 HN GLY 55 9.444 6.041 6.041
430 1HA GLY 55 HA1 GLY 55 7.102 4.704 4.704
431 2HA GLY 55 HA2 GLY 55 6.966 6.124 6.124
432 HA PRO 56 HA PRO 56 7.432 7.634 7.634
433 1HB PRO 56 HB2 PRO 56 5.218 9.237 9.237
434 2HB PRO 56 HB3 PRO 56 5.222 7.585 7.585
435 1HG PRO 56 HG2 PRO 56 4.074 8.662 8.662
436 2HG PRO 56 HG3 PRO 56 3.731 7.140 7.140
437 1HD PRO 56 HD2 PRO 56 5.355 7.525 7.525
438 2HD PRO 56 HD3 PRO 56 5.106 6.023 6.023
439 H GLU 57 HN GLU 57 7.145 10.134 10.134
440 HA GLU 57 HA GLU 57 9.027 11.397 11.397
441 1HB GLU 57 HB2 GLU 57 7.694 12.866 12.866
442 2HB GLU 57 HB3 GLU 57 9.373 12.889 12.889
443 1HG GLU 57 HG2 GLU 57 9.410 10.370 10.370
444 2HG GLU 57 HG3 GLU 57 7.920 10.746 10.746
445 H LYS 58 HN LYS 58 5.547 11.721 11.721
446 HA LYS 58 HA LYS 58 5.266 14.142 14.142
447 1HB LYS 58 HB2 LYS 58 3.852 13.801 13.801
448 2HB LYS 58 HB3 LYS 58 3.294 12.253 12.253
449 1HG LYS 58 HG2 LYS 58 1.555 13.400 13.400
450 2HG LYS 58 HG3 LYS 58 2.699 13.945 13.945
451 1HD LYS 58 HD2 LYS 58 2.241 15.404 15.404
452 2HD LYS 58 HD3 LYS 58 1.382 15.800 15.800
453 1HE LYS 58 HE2 LYS 58 3.735 16.043 16.043
454 2HE LYS 58 HE3 LYS 58 4.371 16.030 16.030
455 1HZ LYS 58 HZ3 LYS 58 2.775 17.862 17.862
456 2HZ LYS 58 HZ1 LYS 58 2.474 17.951 17.951
457 3HZ LYS 58 HZ2 LYS 58 3.976 18.248 18.248
458 H ASP 59 HN ASP 59 3.254 11.199 11.199
459 HA ASP 59 HA ASP 59 4.137 10.127 10.127
460 1HB ASP 59 HB2 ASP 59 4.400 12.041 12.041
461 2HB ASP 59 HB3 ASP 59 2.998 12.840 12.840
462 H ILE 60 HN ILE 60 2.205 9.263 9.263
463 HA ILE 60 HA ILE 60 -0.241 9.213 9.213
464 HB ILE 60 HB ILE 60 0.553 6.905 6.905
465 1HG1 ILE 60 HG12 ILE 60 2.525 7.634 7.634
466 2HG1 ILE 60 HG13 ILE 60 2.014 5.959 5.959
467 1HG2 ILE 60 HG23 ILE 60 -1.485 7.529 7.529
468 2HG2 ILE 60 HG21 ILE 60 -0.535 6.131 6.131
469 3HG2 ILE 60 HG22 ILE 60 -1.311 6.097 6.097
470 1HD1 ILE 60 HD11 ILE 60 0.469 7.496 7.496
471 2HD1 ILE 60 HD12 ILE 60 2.210 7.761 7.761
472 3HD1 ILE 60 HD13 ILE 60 1.548 6.109 6.109
473 H GLU 61 HN GLU 61 -0.694 11.186 11.186
474 HA GLU 61 HA GLU 61 -0.990 10.822 10.822
475 1HB GLU 61 HB2 GLU 61 -1.265 12.948 12.948
476 2HB GLU 61 HB3 GLU 61 -2.731 12.908 12.908
477 1HG GLU 61 HG2 GLU 61 -0.802 12.567 12.567
478 2HG GLU 61 HG3 GLU 61 0.047 13.594 13.594
479 H PHE 62 HN PHE 62 -2.683 9.454 9.454
480 HA PHE 62 HA PHE 62 -5.027 9.083 9.083
481 1HB PHE 62 HB2 PHE 62 -4.700 10.090 10.090
482 2HB PHE 62 HB3 PHE 62 -5.928 8.851 8.851
483 HD1 PHE 62 HD1 PHE 62 -7.949 9.270 9.270
484 HD2 PHE 62 HD2 PHE 62 -4.988 12.275 12.275
485 HE1 PHE 62 HE1 PHE 62 -9.582 10.998 10.998
486 HE2 PHE 62 HE2 PHE 62 -6.621 14.004 14.004
487 HZ PHE 62 HZ PHE 62 -8.899 13.344 13.344
488 H ILE 63 HN ILE 63 -4.275 7.028 7.028
489 HA ILE 63 HA ILE 63 -3.755 5.078 5.078
490 HB ILE 63 HB ILE 63 -3.462 4.554 4.554
491 1HG1 ILE 63 HG12 ILE 63 -2.253 6.763 6.763
492 2HG1 ILE 63 HG13 ILE 63 -1.786 5.985 5.985
493 1HG2 ILE 63 HG21 ILE 63 -2.214 3.512 3.512
494 2HG2 ILE 63 HG22 ILE 63 -1.492 3.223 3.223
495 3HG2 ILE 63 HG23 ILE 63 -3.131 2.628 2.628
496 1HD1 ILE 63 HD12 ILE 63 -0.776 5.084 5.084
497 2HD1 ILE 63 HD13 ILE 63 0.095 6.228 6.228
498 3HD1 ILE 63 HD11 ILE 63 -0.184 4.555 4.555
499 H TYR 64 HN TYR 64 -4.705 2.811 2.811
500 HA TYR 64 HA TYR 64 -7.467 3.155 3.155
501 1HB TYR 64 HB2 TYR 64 -6.155 1.645 1.645
502 2HB TYR 64 HB3 TYR 64 -7.777 1.244 1.244
503 HD1 TYR 64 HD1 TYR 64 -5.905 4.428 4.428
504 HD2 TYR 64 HD2 TYR 64 -9.436 2.097 2.097
505 HE1 TYR 64 HE1 TYR 64 -6.851 6.256 6.256
506 HE2 TYR 64 HE2 TYR 64 -10.370 3.934 3.934
507 HH TYR 64 HH TYR 64 -8.602 6.973 6.973
508 H THR 65 HN THR 65 -8.466 1.276 1.276
509 HA THR 65 HA THR 65 -6.993 -1.108 -1.108
510 HB THR 65 HB THR 65 -5.682 0.411 0.411
511 HG1 THR 65 HG1 THR 65 -6.343 -0.878 -0.878
512 1HG2 THR 65 HG23 THR 65 -8.456 1.119 1.119
513 2HG2 THR 65 HG21 THR 65 -7.199 0.943 0.943
514 3HG2 THR 65 HG22 THR 65 -6.994 2.132 2.132
515 H ALA 66 HN ALA 66 -8.199 -1.881 -1.881
516 HA ALA 66 HA ALA 66 -10.983 -1.977 -1.977
517 1HB ALA 66 HB3 ALA 66 -9.065 -3.925 -3.925
518 2HB ALA 66 HB1 ALA 66 -10.577 -3.928 -3.928
519 3HB ALA 66 HB2 ALA 66 -10.622 -4.190 -4.190
520 HA PRO 67 HA PRO 67 -12.189 0.149 0.149
521 1HB PRO 67 HB2 PRO 67 -14.767 -0.705 -0.705
522 2HB PRO 67 HB3 PRO 67 -14.298 0.528 0.528
523 1HG PRO 67 HG2 PRO 67 -15.019 -2.296 -2.296
524 2HG PRO 67 HG3 PRO 67 -14.964 -0.962 -0.962
525 1HD PRO 67 HD2 PRO 67 -13.027 -3.059 -3.059
526 2HD PRO 67 HD3 PRO 67 -12.916 -1.662 -1.662
527 H SER 68 HN SER 68 -13.977 -0.521 -0.521
528 HA SER 68 HA SER 68 -14.027 -1.538 -1.538
529 1HB SER 68 HB2 SER 68 -13.589 -3.665 -3.665
530 2HB SER 68 HB3 SER 68 -12.605 -4.017 -4.017
531 HG SER 68 HG SER 68 -15.447 -3.444 -3.444
532 H SER 69 HN SER 69 -12.115 -3.400 -3.400
533 HA SER 69 HA SER 69 -10.098 -1.466 -1.466
534 1HB SER 69 HB2 SER 69 -9.424 -3.081 -3.081
535 2HB SER 69 HB3 SER 69 -11.139 -2.728 -2.728
536 HG SER 69 HG SER 69 -9.812 -5.135 -5.135
537 H ALA 70 HN ALA 70 -10.095 -2.623 -2.623
538 HA ALA 70 HA ALA 70 -8.394 -3.064 -3.064
539 1HB ALA 70 HB1 ALA 70 -6.952 -2.654 -2.654
540 2HB ALA 70 HB2 ALA 70 -6.597 -4.370 -4.370
541 3HB ALA 70 HB3 ALA 70 -6.237 -3.149 -3.149
542 H VAL 71 HN VAL 71 -9.672 -4.592 -4.592
543 HA VAL 71 HA VAL 71 -9.522 -7.318 -7.318
544 HB VAL 71 HB VAL 71 -11.634 -7.645 -7.645
545 1HG1 VAL 71 HG12 VAL 71 -11.714 -5.528 -5.528
546 2HG1 VAL 71 HG13 VAL 71 -11.671 -4.617 -4.617
547 3HG1 VAL 71 HG11 VAL 71 -13.053 -5.677 -5.677
548 1HG2 VAL 71 HG23 VAL 71 -10.969 -5.996 -5.996
549 2HG2 VAL 71 HG21 VAL 71 -11.309 -7.740 -7.740
550 3HG2 VAL 71 HG22 VAL 71 -12.621 -6.560 -6.560
551 H CYS 72 HN CYS 72 -9.029 -5.212 -5.212
552 HA CYS 72 HA CYS 72 -7.577 -7.456 -7.456
553 1HB CYS 72 HB2 CYS 72 -8.966 -5.279 -5.279
554 2HB CYS 72 HB3 CYS 72 -8.222 -6.740 -6.740
555 H GLY 73 HN GLY 73 -7.030 -4.947 -4.947
556 1HA GLY 73 HA1 GLY 73 -4.591 -4.169 -4.169
557 2HA GLY 73 HA2 GLY 73 -5.738 -2.887 -2.887
558 H VAL 74 HN VAL 74 -4.241 -1.852 -1.852
559 HA VAL 74 HA VAL 74 -3.925 -3.326 -3.326
560 HB VAL 74 HB VAL 74 -2.171 -1.250 -1.250
561 1HG1 VAL 74 HG13 VAL 74 -1.976 -2.466 -2.466
562 2HG1 VAL 74 HG11 VAL 74 -0.677 -1.544 -1.544
563 3HG1 VAL 74 HG12 VAL 74 -2.224 -0.752 -0.752
564 1HG2 VAL 74 HG23 VAL 74 -2.148 -3.805 -3.805
565 2HG2 VAL 74 HG21 VAL 74 -0.620 -2.923 -2.923
566 3HG2 VAL 74 HG22 VAL 74 -1.262 -3.963 -3.963
567 H SER 75 HN SER 75 -5.812 -1.086 -1.086
568 HA SER 75 HA SER 75 -6.779 0.826 0.826
569 1HB SER 75 HB2 SER 75 -8.481 0.389 0.389
570 2HB SER 75 HB3 SER 75 -7.956 -1.232 -1.232
571 HG SER 75 HG SER 75 -8.097 -0.207 -0.207
572 H LEU 76 HN LEU 76 -5.108 2.402 2.402
573 HA LEU 76 HA LEU 76 -4.151 2.765 2.765
574 1HB LEU 76 HB2 LEU 76 -2.798 4.067 4.067
575 2HB LEU 76 HB3 LEU 76 -2.141 3.495 3.495
576 HG LEU 76 HG LEU 76 -2.955 1.150 1.150
577 1HD1 LEU 76 HD13 LEU 76 -3.118 2.886 2.886
578 2HD1 LEU 76 HD11 LEU 76 -1.398 2.440 2.440
579 3HD1 LEU 76 HD12 LEU 76 -2.653 1.179 1.179
580 1HD2 LEU 76 HD22 LEU 76 -0.588 2.342 2.342
581 2HD2 LEU 76 HD23 LEU 76 -0.894 0.625 0.625
582 3HD2 LEU 76 HD21 LEU 76 -0.204 1.684 1.684
583 H ASP 77 HN ASP 77 -4.588 4.665 4.665
584 HA ASP 77 HA ASP 77 -5.959 6.674 6.674
585 1HB ASP 77 HB2 ASP 77 -7.205 7.195 7.195
586 2HB ASP 77 HB3 ASP 77 -7.683 5.746 5.746
587 H VAL 78 HN VAL 78 -3.172 5.909 5.909
588 HA VAL 78 HA VAL 78 -1.484 7.093 7.093
589 HB VAL 78 HB VAL 78 -3.214 9.188 9.188
590 1HG1 VAL 78 HG11 VAL 78 -1.310 9.735 9.735
591 2HG1 VAL 78 HG12 VAL 78 -1.386 10.884 10.884
592 3HG1 VAL 78 HG13 VAL 78 -2.852 10.524 10.524
593 1HG2 VAL 78 HG21 VAL 78 -0.915 7.787 7.787
594 2HG2 VAL 78 HG22 VAL 78 -1.610 9.198 9.198
595 3HG2 VAL 78 HG23 VAL 78 -0.327 9.424 9.424
596 H GLY 79 HN GLY 79 -4.600 8.628 8.628
597 1HA GLY 79 HA1 GLY 79 -3.807 9.418 9.418
598 2HA GLY 79 HA2 GLY 79 -5.436 8.964 8.964
599 H GLY 80 HN GLY 80 -3.955 6.202 6.202
600 1HA GLY 80 HA1 GLY 80 -4.078 5.104 5.104
601 2HA GLY 80 HA2 GLY 80 -4.701 4.284 4.284
602 H LYS 81 HN LYS 81 -2.439 5.229 5.229
603 HA LYS 81 HA LYS 81 -0.396 3.419 3.419
604 1HB LYS 81 HB2 LYS 81 -0.073 3.785 3.785
605 2HB LYS 81 HB3 LYS 81 -0.488 2.325 2.325
606 1HG LYS 81 HG2 LYS 81 -2.524 4.456 4.456
607 2HG LYS 81 HG3 LYS 81 -2.191 3.023 3.023
608 1HD LYS 81 HD2 LYS 81 -3.226 1.592 1.592
609 2HD LYS 81 HD3 LYS 81 -2.806 2.575 2.575
610 1HE LYS 81 HE2 LYS 81 -5.022 3.174 3.174
611 2HE LYS 81 HE3 LYS 81 -4.488 4.310 4.310
612 1HZ LYS 81 HZ2 LYS 81 -4.927 1.801 1.801
613 2HZ LYS 81 HZ3 LYS 81 -6.256 2.245 2.245
614 3HZ LYS 81 HZ1 LYS 81 -5.663 3.222 3.222
615 H LYS 82 HN LYS 82 0.018 5.568 5.568
616 HA LYS 82 HA LYS 82 0.925 7.856 7.856
617 1HB LYS 82 HB2 LYS 82 3.445 7.441 7.441
618 2HB LYS 82 HB3 LYS 82 2.414 6.982 6.982
619 1HG LYS 82 HG2 LYS 82 2.493 4.720 4.720
620 2HG LYS 82 HG3 LYS 82 4.142 5.300 5.300
621 1HD LYS 82 HD2 LYS 82 4.340 4.432 4.432
622 2HD LYS 82 HD3 LYS 82 2.987 5.395 5.395
623 1HE LYS 82 HE2 LYS 82 1.546 3.621 3.621
624 2HE LYS 82 HE3 LYS 82 2.107 3.110 3.110
625 1HZ LYS 82 HZ2 LYS 82 4.033 2.136 2.136
626 2HZ LYS 82 HZ3 LYS 82 3.472 2.583 2.583
627 3HZ LYS 82 HZ1 LYS 82 2.646 1.492 1.492
628 H GLU 83 HN GLU 83 3.128 5.594 5.594
629 HA GLU 83 HA GLU 83 2.195 6.671 6.671
630 1HB GLU 83 HB2 GLU 83 5.133 6.807 6.807
631 2HB GLU 83 HB3 GLU 83 3.985 7.976 7.976
632 1HG GLU 83 HG2 GLU 83 5.030 9.064 9.064
633 2HG GLU 83 HG3 GLU 83 3.452 8.582 8.582
634 H TYR 84 HN TYR 84 3.229 5.492 5.492
635 HA TYR 84 HA TYR 84 4.547 3.007 3.007
636 1HB TYR 84 HB2 TYR 84 2.746 1.793 1.793
637 2HB TYR 84 HB3 TYR 84 2.121 2.486 2.486
638 HD1 TYR 84 HD2 TYR 84 2.654 3.539 3.539
639 HD2 TYR 84 HD1 TYR 84 0.099 3.606 3.606
640 HE1 TYR 84 HE2 TYR 84 0.895 4.810 4.810
641 HE2 TYR 84 HE1 TYR 84 -1.651 4.876 4.876
642 HH TYR 84 HH TYR 84 -1.446 5.192 5.192
643 H LEU 85 HN LEU 85 5.572 1.958 1.958
644 HA LEU 85 HA LEU 85 6.275 3.870 3.870
645 1HB LEU 85 HB2 LEU 85 7.871 2.099 2.099
646 2HB LEU 85 HB3 LEU 85 8.061 2.673 2.673
647 HG LEU 85 HG LEU 85 8.206 0.116 0.116
648 1HD1 LEU 85 HD13 LEU 85 7.953 1.539 1.539
649 2HD1 LEU 85 HD11 LEU 85 6.535 0.469 0.469
650 3HD1 LEU 85 HD12 LEU 85 8.162 -0.227 -0.227
651 1HD2 LEU 85 HD23 LEU 85 6.042 -0.025 -0.025
652 2HD2 LEU 85 HD21 LEU 85 6.099 -1.086 -1.086
653 3HD2 LEU 85 HD22 LEU 85 5.216 0.459 0.459
654 H ILE 86 HN ILE 86 3.619 1.993 1.993
655 HA ILE 86 HA ILE 86 2.592 0.464 0.464
656 HB ILE 86 HB ILE 86 2.038 3.289 3.289
657 1HG1 ILE 86 HG12 ILE 86 -0.218 2.562 2.562
658 2HG1 ILE 86 HG13 ILE 86 0.125 0.978 0.978
659 1HG2 ILE 86 HG22 ILE 86 1.693 1.797 1.797
660 2HG2 ILE 86 HG23 ILE 86 0.471 2.992 2.992
661 3HG2 ILE 86 HG21 ILE 86 2.169 3.487 3.487
662 1HD1 ILE 86 HD11 ILE 86 1.936 1.515 1.515
663 2HD1 ILE 86 HD12 ILE 86 0.247 1.752 1.752
664 3HD1 ILE 86 HD13 ILE 86 0.755 0.196 0.196
665 H ALA 87 HN ALA 87 3.748 -0.910 -0.910
666 HA ALA 87 HA ALA 87 4.672 0.242 0.242
667 1HB ALA 87 HB3 ALA 87 6.124 -1.300 -1.300
668 2HB ALA 87 HB1 ALA 87 6.308 -1.932 -1.932
669 3HB ALA 87 HB2 ALA 87 6.748 -0.246 -0.246
670 H GLY 88 HN GLY 88 3.204 -0.455 -0.455
671 1HA GLY 88 HA1 GLY 88 2.821 -3.312 -3.312
672 2HA GLY 88 HA2 GLY 88 1.379 -2.420 -2.420
673 H LYS 89 HN LYS 89 1.860 -3.842 -3.842
674 HA LYS 89 HA LYS 89 2.718 -2.494 -2.494
675 1HB LYS 89 HB2 LYS 89 0.809 -4.564 -4.564
676 2HB LYS 89 HB3 LYS 89 0.137 -3.498 -3.498
677 1HG LYS 89 HG2 LYS 89 1.944 -3.846 -3.846
678 2HG LYS 89 HG3 LYS 89 3.027 -4.382 -4.382
679 1HD LYS 89 HD2 LYS 89 1.731 -6.478 -6.478
680 2HD LYS 89 HD3 LYS 89 0.558 -5.935 -5.935
681 1HE LYS 89 HE2 LYS 89 3.154 -5.702 -5.702
682 2HE LYS 89 HE3 LYS 89 3.087 -7.276 -7.276
683 1HZ LYS 89 HZ3 LYS 89 0.774 -7.341 -7.341
684 2HZ LYS 89 HZ1 LYS 89 1.404 -6.214 -6.214
685 3HZ LYS 89 HZ2 LYS 89 2.108 -7.683 -7.683
686 H ALA 90 HN ALA 90 2.703 -0.266 -0.266
687 HA ALA 90 HA ALA 90 0.697 1.382 1.382
688 1HB ALA 90 HB2 ALA 90 3.169 1.621 1.621
689 2HB ALA 90 HB3 ALA 90 2.047 2.323 2.323
690 3HB ALA 90 HB1 ALA 90 2.104 2.969 2.969
691 H GLU 91 HN GLU 91 -0.470 2.965 2.965
692 HA GLU 91 HA GLU 91 -1.924 1.122 1.122
693 1HB GLU 91 HB2 GLU 91 -3.220 2.071 2.071
694 2HB GLU 91 HB3 GLU 91 -2.975 3.675 3.675
695 1HG GLU 91 HG2 GLU 91 -4.025 2.733 2.733
696 2HG GLU 91 HG3 GLU 91 -4.552 1.378 1.378
697 H GLY 92 HN GLY 92 -0.343 4.299 4.299
698 1HA GLY 92 HA1 GLY 92 0.663 4.679 4.679
699 2HA GLY 92 HA2 GLY 92 -1.013 5.080 5.080
700 H ASP 93 HN ASP 93 1.131 5.648 5.648
701 HA ASP 93 HA ASP 93 1.632 7.443 7.443
702 1HB ASP 93 HB2 ASP 93 1.114 8.975 8.975
703 2HB ASP 93 HB3 ASP 93 2.046 9.561 9.561
704 H GLY 94 HN GLY 94 0.610 9.259 9.259
705 1HA GLY 94 HA1 GLY 94 -1.089 10.550 10.550
706 2HA GLY 94 HA2 GLY 94 -1.843 10.418 10.418
707 H LYS 95 HN LYS 95 -1.296 7.251 7.251
708 HA LYS 95 HA LYS 95 -3.079 6.660 6.660
709 1HB LYS 95 HB2 LYS 95 -5.149 6.329 6.329
710 2HB LYS 95 HB3 LYS 95 -4.627 7.779 7.779
711 1HG LYS 95 HG2 LYS 95 -4.341 4.935 4.935
712 2HG LYS 95 HG3 LYS 95 -5.586 6.071 6.071
713 1HD LYS 95 HD2 LYS 95 -2.589 6.570 6.570
714 2HD LYS 95 HD3 LYS 95 -3.633 5.982 5.982
715 1HE LYS 95 HE2 LYS 95 -3.822 8.676 8.676
716 2HE LYS 95 HE3 LYS 95 -3.385 8.401 8.401
717 1HZ LYS 95 HZ3 LYS 95 -5.703 7.241 7.241
718 2HZ LYS 95 HZ1 LYS 95 -5.991 8.252 8.252
719 3HZ LYS 95 HZ2 LYS 95 -5.568 8.856 8.856
720 H MET 96 HN MET 96 -3.038 4.438 4.438
721 HA MET 96 HA MET 96 -1.995 2.731 2.731
722 1HB MET 96 HB2 MET 96 -0.385 1.828 1.828
723 2HB MET 96 HB3 MET 96 0.117 3.172 3.172
724 1HG MET 96 HG2 MET 96 0.113 4.611 4.611
725 2HG MET 96 HG3 MET 96 -1.509 4.138 4.138
726 1HE MET 96 HE1 MET 96 1.911 4.295 4.295
727 2HE MET 96 HE2 MET 96 1.531 4.402 4.402
728 3HE MET 96 HE3 MET 96 2.465 3.021 3.021
729 H HIS 97 HN HIS 97 -1.549 0.400 0.400
730 HA HIS 97 HA HIS 97 -4.066 0.047 0.047
731 1HB HIS 97 HB2 HIS 97 -3.208 -1.179 -1.179
732 2HB HIS 97 HB3 HIS 97 -3.349 -2.409 -2.409
733 HD1 HIS 97 HD1 HIS 97 -5.469 -3.434 -3.434
734 HD2 HIS 97 HD2 HIS 97 -5.901 0.576 0.576
735 HE1 HIS 97 HE1 HIS 97 -7.964 -2.914 -2.914
736 H ILE 98 HN ILE 98 -3.851 -0.838 -0.838
737 HA ILE 98 HA ILE 98 -1.452 -2.403 -2.403
738 HB ILE 98 HB ILE 98 -0.884 -1.174 -1.174
739 1HG1 ILE 98 HG12 ILE 98 -3.439 0.337 0.337
740 2HG1 ILE 98 HG13 ILE 98 -2.923 -0.487 -0.487
741 1HG2 ILE 98 HG23 ILE 98 -0.358 -0.322 -0.322
742 2HG2 ILE 98 HG21 ILE 98 -1.257 1.100 1.100
743 3HG2 ILE 98 HG22 ILE 98 0.195 0.548 0.548
744 1HD1 ILE 98 HD13 ILE 98 -1.008 1.598 1.598
745 2HD1 ILE 98 HD11 ILE 98 -2.641 2.245 2.245
746 3HD1 ILE 98 HD12 ILE 98 -1.804 1.340 1.340
747 H THR 99 HN THR 99 -1.841 -4.148 -4.148
748 HA THR 99 HA THR 99 -4.398 -4.182 -4.182
749 HB THR 99 HB THR 99 -4.364 -6.713 -6.713
750 HG1 THR 99 HG1 THR 99 -3.158 -6.796 -6.796
751 1HG2 THR 99 HG21 THR 99 -5.729 -4.331 -4.331
752 2HG2 THR 99 HG22 THR 99 -5.137 -5.070 -5.070
753 3HG2 THR 99 HG23 THR 99 -6.182 -6.003 -6.003
754 H LEU 100 HN LEU 100 -4.494 -6.038 -6.038
755 HA LEU 100 HA LEU 100 -2.303 -5.846 -5.846
756 1HB LEU 100 HB2 LEU 100 -3.509 -7.130 -7.130
757 2HB LEU 100 HB3 LEU 100 -4.776 -6.488 -6.488
758 HG LEU 100 HG LEU 100 -3.570 -9.169 -9.169
759 1HD1 LEU 100 HD12 LEU 100 -4.754 -8.578 -8.578
760 2HD1 LEU 100 HD13 LEU 100 -5.967 -9.480 -9.480
761 3HD1 LEU 100 HD11 LEU 100 -4.349 -10.173 -10.173
762 1HD2 LEU 100 HD22 LEU 100 -5.592 -7.577 -7.577
763 2HD2 LEU 100 HD23 LEU 100 -5.174 -9.260 -9.260
764 3HD2 LEU 100 HD21 LEU 100 -6.427 -8.920 -8.920
765 H CYS 101 HN CYS 101 -3.227 -8.336 -8.336
766 HA CYS 101 HA CYS 101 -1.179 -10.116 -10.116
767 1HB CYS 101 HB2 CYS 101 -3.343 -10.261 -10.261
768 2HB CYS 101 HB3 CYS 101 -2.136 -9.968 -9.968
769 H ASP 102 HN ASP 102 -1.403 -7.173 -7.173
770 HA ASP 102 HA ASP 102 1.023 -7.613 -7.613
771 1HB ASP 102 HB2 ASP 102 -1.042 -5.967 -5.967
772 2HB ASP 102 HB3 ASP 102 -0.094 -4.850 -4.850
773 H PHE 103 HN PHE 103 2.876 -5.839 -5.839
774 HA PHE 103 HA PHE 103 3.788 -5.976 -5.976
775 1HB PHE 103 HB2 PHE 103 5.375 -6.043 -6.043
776 2HB PHE 103 HB3 PHE 103 4.627 -4.671 -4.671
777 HD1 PHE 103 HD2 PHE 103 5.188 -4.442 -4.442
778 HD2 PHE 103 HD1 PHE 103 6.875 -3.678 -3.678
779 HE1 PHE 103 HE2 PHE 103 6.879 -2.914 -2.914
780 HE2 PHE 103 HE1 PHE 103 8.566 -2.150 -2.150
781 HZ PHE 103 HZ PHE 103 8.548 -1.786 -1.786
782 H ILE 104 HN ILE 104 3.246 -4.644 -4.644
783 HA ILE 104 HA ILE 104 3.228 -1.832 -1.832
784 HB ILE 104 HB ILE 104 0.792 -1.681 -1.681
785 1HG1 ILE 104 HG12 ILE 104 0.673 -4.338 -4.338
786 2HG1 ILE 104 HG13 ILE 104 0.472 -4.115 -4.115
787 1HG2 ILE 104 HG23 ILE 104 1.986 -1.218 -1.218
788 2HG2 ILE 104 HG21 ILE 104 0.701 -2.359 -2.359
789 3HG2 ILE 104 HG22 ILE 104 0.286 -0.848 -0.848
790 1HD1 ILE 104 HD12 ILE 104 -1.444 -2.490 -2.490
791 2HD1 ILE 104 HD13 ILE 104 -1.322 -3.064 -3.064
792 3HD1 ILE 104 HD11 ILE 104 -1.745 -4.204 -4.204
793 H VAL 105 HN VAL 105 3.715 -0.844 -0.844
794 HA VAL 105 HA VAL 105 3.067 -2.161 -2.161
795 HB VAL 105 HB VAL 105 5.757 -1.774 -1.774
796 1HG1 VAL 105 HG12 VAL 105 4.278 -3.640 -3.640
797 2HG1 VAL 105 HG13 VAL 105 4.464 -4.395 -4.395
798 3HG1 VAL 105 HG11 VAL 105 5.885 -4.168 -4.168
799 1HG2 VAL 105 HG22 VAL 105 5.351 -2.925 -2.925
800 2HG2 VAL 105 HG23 VAL 105 6.296 -1.487 -1.487
801 3HG2 VAL 105 HG21 VAL 105 6.849 -3.107 -3.107
802 HA PRO 106 HA PRO 106 3.187 1.968 1.968
803 1HB PRO 106 HB2 PRO 106 3.550 1.753 1.753
804 2HB PRO 106 HB3 PRO 106 2.000 1.508 1.508
805 1HG PRO 106 HG2 PRO 106 3.853 -0.508 -0.508
806 2HG PRO 106 HG3 PRO 106 2.152 -0.676 -0.676
807 1HD PRO 106 HD2 PRO 106 4.367 -1.662 -1.662
808 2HD PRO 106 HD3 PRO 106 2.674 -1.727 -1.727
809 H TRP 107 HN TRP 107 5.843 0.337 0.337
810 HA TRP 107 HA TRP 107 7.954 0.987 0.987
811 1HB TRP 107 HB2 TRP 107 6.957 3.220 3.220
812 2HB TRP 107 HB3 TRP 107 7.180 3.688 3.688
813 HD1 TRP 107 HD1 TRP 107 9.638 2.036 2.036
814 HE1 TRP 107 HE1 TRP 107 11.949 3.310 3.310
815 HE3 TRP 107 HE3 TRP 107 8.327 5.508 5.508
816 HZ2 TRP 107 HZ2 TRP 107 12.947 5.576 5.576
817 HZ3 TRP 107 HZ3 TRP 107 10.028 7.216 7.216
818 HH2 TRP 107 HH2 TRP 107 12.271 7.286 7.286
819 H ASP 108 HN ASP 108 6.620 2.564 2.564
820 HA ASP 108 HA ASP 108 8.906 1.977 1.977
821 1HB ASP 108 HB2 ASP 108 7.323 3.776 3.776
822 2HB ASP 108 HB3 ASP 108 6.043 2.606 2.606
823 H THR 109 HN THR 109 8.449 -0.446 -0.446
824 HA THR 109 HA THR 109 7.873 -2.146 -2.146
825 HB THR 109 HB THR 109 6.078 -3.397 -3.397
826 HG1 THR 109 HG1 THR 109 6.197 -2.294 -2.294
827 1HG2 THR 109 HG23 THR 109 5.569 -1.839 -1.839
828 2HG2 THR 109 HG21 THR 109 5.262 -0.568 -0.568
829 3HG2 THR 109 HG22 THR 109 4.262 -2.041 -2.041
830 H LEU 110 HN LEU 110 8.111 -2.137 -2.137
831 HA LEU 110 HA LEU 110 9.004 -4.025 -4.025
832 1HB LEU 110 HB2 LEU 110 11.261 -2.198 -2.198
833 2HB LEU 110 HB3 LEU 110 11.251 -3.263 -3.263
834 HG LEU 110 HG LEU 110 9.308 -0.971 -0.971
835 1HD1 LEU 110 HD13 LEU 110 11.765 -0.320 -0.320
836 2HD1 LEU 110 HD11 LEU 110 11.701 -0.956 -0.956
837 3HD1 LEU 110 HD12 LEU 110 10.648 0.398 0.398
838 1HD2 LEU 110 HD23 LEU 110 9.227 -3.174 -3.174
839 2HD2 LEU 110 HD21 LEU 110 8.258 -1.684 -1.684
840 3HD2 LEU 110 HD22 LEU 110 9.786 -1.809 -1.809
841 H SER 111 HN SER 111 12.058 -3.665 -3.665
842 HA SER 111 HA SER 111 12.203 -5.050 -5.050
843 1HB SER 111 HB2 SER 111 11.203 -6.947 -6.947
844 2HB SER 111 HB3 SER 111 12.416 -7.565 -7.565
845 HG SER 111 HG SER 111 10.493 -7.980 -7.980
846 H THR 112 HN THR 112 13.162 -5.334 -5.334
847 HA THR 112 HA THR 112 15.650 -4.430 -4.430
848 HB THR 112 HB THR 112 15.491 -7.073 -7.073
849 HG1 THR 112 HG1 THR 112 16.375 -5.380 -5.380
850 1HG2 THR 112 HG21 THR 112 17.548 -6.413 -6.413
851 2HG2 THR 112 HG22 THR 112 18.021 -7.331 -7.331
852 3HG2 THR 112 HG23 THR 112 16.779 -7.980 -7.980
853 H THR 113 HN THR 113 14.535 -7.754 -7.754
854 HA THR 113 HA THR 113 15.675 -7.775 -7.775
855 HB THR 113 HB THR 113 13.105 -9.000 -9.000
856 HG1 THR 113 HG1 THR 113 14.624 -10.705 -10.705
857 1HG2 THR 113 HG21 THR 113 13.069 -9.006 -9.006
858 2HG2 THR 113 HG22 THR 113 14.667 -9.790 -9.790
859 3HG2 THR 113 HG23 THR 113 13.250 -10.634 -10.634
860 H GLN 114 HN GLN 114 12.941 -5.871 -5.871
861 HA GLN 114 HA GLN 114 12.081 -5.376 -5.376
862 1HB GLN 114 HB2 GLN 114 11.144 -4.601 -4.601
863 2HB GLN 114 HB3 GLN 114 10.640 -3.601 -3.601
864 1HG GLN 114 HG2 GLN 114 8.938 -5.137 -5.137
865 2HG GLN 114 HG3 GLN 114 10.122 -6.052 -6.052
866 1HE2 GLN 114 HE22 GLN 114 11.050 -8.166 -8.166
867 2HE2 GLN 114 HE21 GLN 114 11.786 -7.169 -7.169
868 H LYS 115 HN LYS 115 14.017 -3.830 -3.830
869 HA LYS 115 HA LYS 115 14.122 -1.289 -1.289
870 1HB LYS 115 HB2 LYS 115 15.203 -2.600 -2.600
871 2HB LYS 115 HB3 LYS 115 16.342 -1.487 -1.487
872 1HG LYS 115 HG2 LYS 115 14.993 0.375 0.375
873 2HG LYS 115 HG3 LYS 115 13.502 -0.535 -0.535
874 1HD LYS 115 HD2 LYS 115 15.403 -0.478 -0.478
875 2HD LYS 115 HD3 LYS 115 13.754 0.112 0.112
876 1HE LYS 115 HE2 LYS 115 13.149 -2.385 -2.385
877 2HE LYS 115 HE3 LYS 115 14.730 -2.761 -2.761
878 1HZ LYS 115 HZ3 LYS 115 13.912 -1.363 -1.363
879 2HZ LYS 115 HZ1 LYS 115 12.418 -1.651 -1.651
880 3HZ LYS 115 HZ2 LYS 115 13.375 -2.898 -2.898
881 H LYS 116 HN LYS 116 16.132 -4.268 -4.268
882 HA LYS 116 HA LYS 116 18.254 -3.147 -3.147
883 1HB LYS 116 HB2 LYS 116 19.031 -5.356 -5.356
884 2HB LYS 116 HB3 LYS 116 18.203 -5.323 -5.323
885 1HG LYS 116 HG2 LYS 116 16.996 -7.101 -7.101
886 2HG LYS 116 HG3 LYS 116 16.149 -5.979 -5.979
887 1HD LYS 116 HD2 LYS 116 18.793 -6.936 -6.936
888 2HD LYS 116 HD3 LYS 116 17.543 -8.159 -8.159
889 1HE LYS 116 HE2 LYS 116 16.654 -7.380 -7.380
890 2HE LYS 116 HE3 LYS 116 16.262 -5.878 -5.878
891 1HZ LYS 116 HZ2 LYS 116 18.618 -5.229 -5.229
892 2HZ LYS 116 HZ3 LYS 116 18.703 -6.516 -6.516
893 3HZ LYS 116 HZ1 LYS 116 17.629 -5.322 -5.322
894 H SER 117 HN SER 117 14.983 -3.968 -3.968
895 HA SER 117 HA SER 117 15.686 -4.176 -4.176
896 1HB SER 117 HB2 SER 117 13.673 -5.297 -5.297
897 2HB SER 117 HB3 SER 117 12.815 -4.018 -4.018
898 HG SER 117 HG SER 117 13.612 -6.428 -6.428
899 H LEU 118 HN LEU 118 14.918 -1.770 -1.770
900 HA LEU 118 HA LEU 118 13.421 -0.018 -0.018
901 1HB LEU 118 HB2 LEU 118 14.996 0.326 0.326
902 2HB LEU 118 HB3 LEU 118 14.170 1.660 1.660
903 HG LEU 118 HG LEU 118 12.919 -0.842 -0.842
904 1HD1 LEU 118 HD12 LEU 118 13.516 1.753 1.753
905 2HD1 LEU 118 HD13 LEU 118 11.751 1.533 1.533
906 3HD1 LEU 118 HD11 LEU 118 12.763 0.349 0.349
907 1HD2 LEU 118 HD22 LEU 118 11.700 1.318 1.318
908 2HD2 LEU 118 HD23 LEU 118 11.637 -0.449 -0.449
909 3HD2 LEU 118 HD21 LEU 118 10.733 0.324 0.324
910 H ASN 119 HN ASN 119 16.872 -0.726 -0.726
911 HA ASN 119 HA ASN 119 17.745 1.650 1.650
912 1HB ASN 119 HB2 ASN 119 19.580 0.775 0.775
913 2HB ASN 119 HB3 ASN 119 18.923 -0.849 -0.849
914 1HD2 ASN 119 HD22 ASN 119 21.038 -1.975 -1.975
915 2HD2 ASN 119 HD21 ASN 119 20.042 -2.259 -2.259
916 H HIS 120 HN HIS 120 16.909 -1.685 -1.685
917 HA HIS 120 HA HIS 120 18.024 -1.594 -1.594
918 1HB HIS 120 HB2 HIS 120 15.813 -3.175 -3.175
919 2HB HIS 120 HB3 HIS 120 16.114 -3.333 -3.333
920 HD1 HIS 120 HD1 HIS 120 16.631 -5.896 -5.896
921 HD2 HIS 120 HD2 HIS 120 19.500 -2.886 -2.886
922 HE1 HIS 120 HE1 HIS 120 18.823 -7.087 -7.087
923 H ARG 121 HN ARG 121 17.643 -0.044 -0.044
924 HA ARG 121 HA ARG 121 15.859 1.820 1.820
925 1HB ARG 121 HB2 ARG 121 17.481 0.499 0.499
926 2HB ARG 121 HB3 ARG 121 15.904 0.658 0.658
927 1HG ARG 121 HG2 ARG 121 17.440 2.638 2.638
928 2HG ARG 121 HG3 ARG 121 15.890 3.062 3.062
929 1HD ARG 121 HD2 ARG 121 16.853 3.840 3.840
930 2HD ARG 121 HD3 ARG 121 17.877 2.427 2.427
931 HE ARG 121 HE ARG 121 18.604 4.974 4.974
932 1HH1 ARG 121 HH22 ARG 121 19.304 1.526 1.526
933 2HH1 ARG 121 HH21 ARG 121 20.921 1.717 1.717
934 1HH2 ARG 121 HH12 ARG 121 20.737 5.226 5.226
935 2HH2 ARG 121 HH11 ARG 121 21.742 3.836 3.836
936 H TYR 122 HN TYR 122 15.226 -1.542 -1.542
937 HA TYR 122 HA TYR 122 12.613 -1.655 -1.655
938 1HB TYR 122 HB2 TYR 122 11.386 -0.700 -0.700
939 2HB TYR 122 HB3 TYR 122 12.867 0.185 0.185
940 HD1 TYR 122 HD2 TYR 122 10.878 -2.783 -2.783
941 HD2 TYR 122 HD1 TYR 122 14.161 -0.215 -0.215
942 HE1 TYR 122 HE2 TYR 122 11.013 -3.816 -3.816
943 HE2 TYR 122 HE1 TYR 122 14.285 -1.256 -1.256
944 HH TYR 122 HH TYR 122 12.965 -4.096 -4.096
945 H GLN 123 HN GLN 123 12.759 -3.826 -3.826
946 HA GLN 123 HA GLN 123 13.174 -5.943 -5.943
947 1HB GLN 123 HB2 GLN 123 11.139 -5.752 -5.752
948 2HB GLN 123 HB3 GLN 123 12.060 -5.261 -5.261
949 1HG GLN 123 HG2 GLN 123 13.237 -7.708 -7.708
950 2HG GLN 123 HG3 GLN 123 11.505 -7.953 -7.953
951 1HE2 GLN 123 HE22 GLN 123 10.878 -8.114 -8.114
952 2HE2 GLN 123 HE21 GLN 123 10.289 -8.154 -8.154
953 H MET 124 HN MET 124 15.567 -4.857 -4.857
954 HA MET 124 HA MET 124 16.977 -5.072 -5.072
955 1HB MET 124 HB2 MET 124 17.450 -4.313 -4.313
956 2HB MET 124 HB3 MET 124 18.783 -5.288 -5.288
957 1HG MET 124 HG2 MET 124 17.917 -3.259 -3.259
958 2HG MET 124 HG3 MET 124 18.431 -2.544 -2.544
959 1HE MET 124 HE2 MET 124 20.600 -1.765 -1.765
960 2HE MET 124 HE3 MET 124 20.894 -3.254 -3.254
961 3HE MET 124 HE1 MET 124 22.095 -2.696 -2.696
962 H GLY 125 HN GLY 125 15.742 -7.427 -7.427
963 1HA GLY 125 HA1 GLY 125 16.021 -9.651 -9.651
964 2HA GLY 125 HA2 GLY 125 17.744 -9.338 -9.338
965 H CYS 126 HN CYS 126 15.796 -8.273 -8.273
966 HA CYS 126 HA CYS 126 17.404 -9.528 -9.528
967 1HB CYS 126 HB2 CYS 126 16.043 -8.644 -8.644
968 2HB CYS 126 HB3 CYS 126 15.621 -7.632 -7.632
969 H GLU 127 HN GLU 127 15.706 -10.952 -10.952
970 HA GLU 127 HA GLU 127 14.136 -12.865 -12.865
971 1HB GLU 127 HB2 GLU 127 16.321 -13.563 -13.563
972 2HB GLU 127 HB3 GLU 127 16.961 -13.882 -13.882
973 1HG GLU 127 HG2 GLU 127 15.711 -15.807 -15.807
974 2HG GLU 127 HG3 GLU 127 14.324 -15.161 -15.161
Start of MODEL 35
1 H CYS 1 HN CYS 1 -6.992 -9.408 -9.408
2 HA CYS 1 HA CYS 1 -9.051 -9.037 -9.037
3 1HB CYS 1 HB2 CYS 1 -8.701 -10.672 -10.672
4 2HB CYS 1 HB3 CYS 1 -10.093 -10.965 -10.965
5 H SER 2 HN SER 2 -8.302 -9.810 -9.810
6 HA SER 2 HA SER 2 -7.904 -11.248 -11.248
7 1HB SER 2 HB2 SER 2 -8.986 -13.718 -13.718
8 2HB SER 2 HB3 SER 2 -9.735 -12.554 -12.554
9 HG SER 2 HG SER 2 -10.539 -11.417 -11.417
10 H CYS 3 HN CYS 3 -6.199 -11.217 -11.217
11 HA CYS 3 HA CYS 3 -5.112 -13.788 -13.788
12 1HB CYS 3 HB2 CYS 3 -3.558 -11.306 -11.306
13 2HB CYS 3 HB3 CYS 3 -3.570 -12.855 -12.855
14 H SER 4 HN SER 4 -2.594 -14.097 -14.097
15 HA SER 4 HA SER 4 -2.219 -13.288 -13.288
16 1HB SER 4 HB2 SER 4 -0.791 -15.226 -15.226
17 2HB SER 4 HB3 SER 4 -2.260 -15.745 -15.745
18 HG SER 4 HG SER 4 -1.192 -15.969 -15.969
19 HA PRO 5 HA PRO 5 0.934 -10.719 -10.719
20 1HB PRO 5 HB2 PRO 5 1.368 -9.192 -9.192
21 2HB PRO 5 HB3 PRO 5 0.132 -8.826 -8.826
22 1HG PRO 5 HG2 PRO 5 -0.179 -9.980 -9.980
23 2HG PRO 5 HG3 PRO 5 -1.389 -9.223 -9.223
24 1HD PRO 5 HD2 PRO 5 -1.050 -12.033 -12.033
25 2HD PRO 5 HD3 PRO 5 -2.184 -11.282 -11.282
26 H VAL 6 HN VAL 6 2.918 -11.415 -11.415
27 HA VAL 6 HA VAL 6 4.567 -12.045 -12.045
28 HB VAL 6 HB VAL 6 3.365 -14.138 -14.138
29 1HG1 VAL 6 HG13 VAL 6 4.182 -13.332 -13.332
30 2HG1 VAL 6 HG11 VAL 6 4.874 -14.928 -14.928
31 3HG1 VAL 6 HG12 VAL 6 3.117 -14.672 -14.672
32 1HG2 VAL 6 HG22 VAL 6 6.221 -13.721 -13.721
33 2HG2 VAL 6 HG23 VAL 6 5.169 -14.985 -14.985
34 3HG2 VAL 6 HG21 VAL 6 5.889 -15.198 -15.198
35 H HIS 7 HN HIS 7 6.168 -13.512 -13.512
36 HA HIS 7 HA HIS 7 8.057 -12.846 -12.846
37 1HB HIS 7 HB2 HIS 7 7.376 -11.184 -11.184
38 2HB HIS 7 HB3 HIS 7 6.964 -12.888 -12.888
39 HD1 HIS 7 HD1 HIS 7 4.574 -13.349 -13.349
40 HD2 HIS 7 HD2 HIS 7 5.083 -9.597 -9.597
41 HE1 HIS 7 HE1 HIS 7 2.265 -12.265 -12.265
42 HA PRO 8 HA PRO 8 8.806 -9.050 -9.050
43 1HB PRO 8 HB2 PRO 8 11.088 -9.870 -9.870
44 2HB PRO 8 HB3 PRO 8 9.493 -10.024 -10.024
45 1HG PRO 8 HG2 PRO 8 11.202 -12.120 -12.120
46 2HG PRO 8 HG3 PRO 8 9.829 -12.304 -12.304
47 1HD PRO 8 HD2 PRO 8 9.865 -12.755 -12.755
48 2HD PRO 8 HD3 PRO 8 8.468 -12.824 -12.824
49 H GLN 9 HN GLN 9 9.988 -10.493 -10.493
50 HA GLN 9 HA GLN 9 11.732 -8.223 -8.223
51 1HB GLN 9 HB2 GLN 9 13.224 -10.065 -10.065
52 2HB GLN 9 HB3 GLN 9 12.535 -11.119 -11.119
53 1HG GLN 9 HG2 GLN 9 14.033 -10.335 -10.335
54 2HG GLN 9 HG3 GLN 9 13.314 -8.743 -8.743
55 1HE2 GLN 9 HE22 GLN 9 15.587 -7.651 -7.651
56 2HE2 GLN 9 HE21 GLN 9 13.891 -7.726 -7.726
57 H GLN 10 HN GLN 10 10.010 -11.109 -11.109
58 HA GLN 10 HA GLN 10 10.199 -10.316 -10.316
59 1HB GLN 10 HB2 GLN 10 7.867 -11.941 -11.941
60 2HB GLN 10 HB3 GLN 10 8.779 -12.137 -12.137
61 1HG GLN 10 HG2 GLN 10 10.804 -12.594 -12.594
62 2HG GLN 10 HG3 GLN 10 9.494 -13.009 -13.009
63 1HE2 GLN 10 HE22 GLN 10 10.275 -16.201 -16.201
64 2HE2 GLN 10 HE21 GLN 10 10.810 -15.069 -15.069
65 H ALA 11 HN ALA 11 8.685 -8.757 -8.757
66 HA ALA 11 HA ALA 11 6.288 -7.988 -7.988
67 1HB ALA 11 HB1 ALA 11 7.405 -7.825 -7.825
68 2HB ALA 11 HB2 ALA 11 6.618 -6.312 -6.312
69 3HB ALA 11 HB3 ALA 11 5.707 -7.841 -7.841
70 H PHE 12 HN PHE 12 9.557 -6.714 -6.714
71 HA PHE 12 HA PHE 12 8.904 -4.166 -4.166
72 1HB PHE 12 HB2 PHE 12 11.426 -5.537 -5.537
73 2HB PHE 12 HB3 PHE 12 11.456 -3.898 -3.898
74 HD1 PHE 12 HD1 PHE 12 9.112 -5.745 -5.745
75 HD2 PHE 12 HD2 PHE 12 11.644 -2.382 -2.382
76 HE1 PHE 12 HE1 PHE 12 8.442 -4.877 -4.877
77 HE2 PHE 12 HE2 PHE 12 10.973 -1.515 -1.515
78 HZ PHE 12 HZ PHE 12 9.380 -2.773 -2.773
79 H CYS 13 HN CYS 13 9.779 -7.268 -7.268
80 HA CYS 13 HA CYS 13 11.275 -6.187 -6.187
81 1HB CYS 13 HB2 CYS 13 11.032 -8.840 -8.840
82 2HB CYS 13 HB3 CYS 13 11.181 -8.857 -8.857
83 H ASN 14 HN ASN 14 8.095 -7.043 -7.043
84 HA ASN 14 HA ASN 14 7.249 -7.720 -7.720
85 1HB ASN 14 HB2 ASN 14 6.346 -8.351 -8.351
86 2HB ASN 14 HB3 ASN 14 5.061 -7.423 -7.423
87 1HD2 ASN 14 HD22 ASN 14 5.825 -11.273 -11.273
88 2HD2 ASN 14 HD21 ASN 14 6.662 -10.405 -10.405
89 H ALA 15 HN ALA 15 6.786 -5.282 -5.282
90 HA ALA 15 HA ALA 15 4.829 -3.731 -3.731
91 1HB ALA 15 HB3 ALA 15 7.196 -2.979 -2.979
92 2HB ALA 15 HB1 ALA 15 5.807 -1.916 -1.916
93 3HB ALA 15 HB2 ALA 15 5.567 -3.452 -3.452
94 H ASP 16 HN ASP 16 5.263 -1.355 -1.355
95 HA ASP 16 HA ASP 16 7.613 -1.234 -1.234
96 1HB ASP 16 HB2 ASP 16 4.806 -1.564 -1.564
97 2HB ASP 16 HB3 ASP 16 5.763 -0.345 -0.345
98 H VAL 17 HN VAL 17 5.942 0.088 0.088
99 HA VAL 17 HA VAL 17 6.652 2.758 2.758
100 HB VAL 17 HB VAL 17 4.655 2.771 2.771
101 1HG1 VAL 17 HG12 VAL 17 3.471 1.307 1.307
102 2HG1 VAL 17 HG13 VAL 17 2.423 2.284 2.284
103 3HG1 VAL 17 HG11 VAL 17 3.369 0.940 0.940
104 1HG2 VAL 17 HG22 VAL 17 5.147 4.667 4.667
105 2HG2 VAL 17 HG23 VAL 17 3.529 4.599 4.599
106 3HG2 VAL 17 HG21 VAL 17 3.773 4.012 4.012
107 H VAL 18 HN VAL 18 7.899 2.456 2.456
108 HA VAL 18 HA VAL 18 6.354 1.970 1.970
109 HB VAL 18 HB VAL 18 9.305 2.276 2.276
110 1HG1 VAL 18 HG13 VAL 18 7.188 1.008 1.008
111 2HG1 VAL 18 HG11 VAL 18 8.537 -0.106 -0.106
112 3HG1 VAL 18 HG12 VAL 18 8.844 1.455 1.455
113 1HG2 VAL 18 HG22 VAL 18 8.911 1.039 1.039
114 2HG2 VAL 18 HG23 VAL 18 9.727 0.050 0.050
115 3HG2 VAL 18 HG21 VAL 18 7.992 -0.183 -0.183
116 H ILE 19 HN ILE 19 5.696 3.657 3.657
117 HA ILE 19 HA ILE 19 7.385 6.013 6.013
118 HB ILE 19 HB ILE 19 5.647 7.546 7.546
119 1HG1 ILE 19 HG12 ILE 19 3.903 5.120 5.120
120 2HG1 ILE 19 HG13 ILE 19 3.620 6.727 6.727
121 1HG2 ILE 19 HG23 ILE 19 7.052 6.401 6.401
122 2HG2 ILE 19 HG21 ILE 19 5.580 5.480 5.480
123 3HG2 ILE 19 HG22 ILE 19 5.579 7.256 7.256
124 1HD1 ILE 19 HD13 ILE 19 3.577 7.516 7.516
125 2HD1 ILE 19 HD11 ILE 19 3.408 5.789 5.789
126 3HD1 ILE 19 HD12 ILE 19 2.177 6.598 6.598
127 H ARG 20 HN ARG 20 7.576 6.670 6.670
128 HA ARG 20 HA ARG 20 6.043 5.294 5.294
129 1HB ARG 20 HB2 ARG 20 7.916 7.667 7.667
130 2HB ARG 20 HB3 ARG 20 7.457 6.452 6.452
131 1HG ARG 20 HG2 ARG 20 8.847 4.816 4.816
132 2HG ARG 20 HG3 ARG 20 8.736 5.476 5.476
133 1HD ARG 20 HD2 ARG 20 10.994 5.768 5.768
134 2HD ARG 20 HD3 ARG 20 10.350 7.166 7.166
135 HE ARG 20 HE ARG 20 9.246 7.499 7.499
136 1HH1 ARG 20 HH22 ARG 20 12.538 6.717 6.717
137 2HH1 ARG 20 HH21 ARG 20 13.259 7.474 7.474
138 1HH2 ARG 20 HH12 ARG 20 10.197 8.499 8.499
139 2HH2 ARG 20 HH11 ARG 20 11.919 8.495 8.495
140 H THR 21 HN THR 21 4.340 6.834 6.834
141 HA THR 21 HA THR 21 3.745 9.383 9.383
142 HB THR 21 HB THR 21 3.018 8.646 8.646
143 HG1 THR 21 HG1 THR 21 1.598 10.001 10.001
144 1HG2 THR 21 HG21 THR 21 2.663 6.163 6.163
145 2HG2 THR 21 HG22 THR 21 1.060 6.731 6.731
146 3HG2 THR 21 HG23 THR 21 1.523 6.825 6.825
147 H LYS 22 HN LYS 22 1.591 9.975 9.975
148 HA LYS 22 HA LYS 22 1.045 8.041 8.041
149 1HB LYS 22 HB2 LYS 22 0.814 9.876 9.876
150 2HB LYS 22 HB3 LYS 22 2.398 9.935 9.935
151 1HG LYS 22 HG2 LYS 22 1.685 11.712 11.712
152 2HG LYS 22 HG3 LYS 22 0.019 11.560 11.560
153 1HD LYS 22 HD2 LYS 22 2.382 12.653 12.653
154 2HD LYS 22 HD3 LYS 22 0.872 13.456 13.456
155 1HE LYS 22 HE2 LYS 22 -0.286 11.622 11.622
156 2HE LYS 22 HE3 LYS 22 1.317 11.189 11.189
157 1HZ LYS 22 HZ3 LYS 22 0.383 13.957 13.957
158 2HZ LYS 22 HZ1 LYS 22 0.029 12.889 12.889
159 3HZ LYS 22 HZ2 LYS 22 1.586 13.249 13.249
160 H ALA 23 HN ALA 23 -1.006 7.305 7.305
161 HA ALA 23 HA ALA 23 -2.938 8.746 8.746
162 1HB ALA 23 HB2 ALA 23 -2.951 5.997 5.997
163 2HB ALA 23 HB3 ALA 23 -4.268 6.649 6.649
164 3HB ALA 23 HB1 ALA 23 -2.665 6.359 6.359
165 H VAL 24 HN VAL 24 -3.817 10.454 10.454
166 HA VAL 24 HA VAL 24 -4.653 9.919 9.919
167 HB VAL 24 HB VAL 24 -4.838 12.466 12.466
168 1HG1 VAL 24 HG12 VAL 24 -2.466 10.732 10.732
169 2HG1 VAL 24 HG13 VAL 24 -2.087 12.451 12.451
170 3HG1 VAL 24 HG11 VAL 24 -3.063 11.958 11.958
171 1HG2 VAL 24 HG23 VAL 24 -4.737 12.694 12.694
172 2HG2 VAL 24 HG21 VAL 24 -3.585 13.724 13.724
173 3HG2 VAL 24 HG22 VAL 24 -3.018 12.237 12.237
174 H SER 25 HN SER 25 -5.686 10.921 10.921
175 HA SER 25 HA SER 25 -8.421 10.868 10.868
176 1HB SER 25 HB2 SER 25 -8.259 13.031 13.031
177 2HB SER 25 HB3 SER 25 -7.040 12.612 12.612
178 HG SER 25 HG SER 25 -9.200 13.124 13.124
179 H GLU 26 HN GLU 26 -10.067 10.085 10.085
180 HA GLU 26 HA GLU 26 -8.873 8.350 8.350
181 1HB GLU 26 HB2 GLU 26 -10.511 7.421 7.421
182 2HB GLU 26 HB3 GLU 26 -10.644 6.557 6.557
183 1HG GLU 26 HG2 GLU 26 -8.767 5.422 5.422
184 2HG GLU 26 HG3 GLU 26 -7.870 6.903 6.903
185 H LYS 27 HN LYS 27 -11.089 7.064 7.064
186 HA LYS 27 HA LYS 27 -13.294 8.898 8.898
187 1HB LYS 27 HB2 LYS 27 -11.740 9.959 9.959
188 2HB LYS 27 HB3 LYS 27 -11.516 8.447 8.447
189 1HG LYS 27 HG2 LYS 27 -13.682 8.483 8.483
190 2HG LYS 27 HG3 LYS 27 -14.330 9.487 9.487
191 1HD LYS 27 HD2 LYS 27 -13.895 10.561 10.561
192 2HD LYS 27 HD3 LYS 27 -13.480 11.474 11.474
193 1HE LYS 27 HE2 LYS 27 -11.136 10.961 10.961
194 2HE LYS 27 HE3 LYS 27 -11.437 9.677 9.677
195 1HZ LYS 27 HZ3 LYS 27 -12.425 11.538 11.538
196 2HZ LYS 27 HZ1 LYS 27 -11.616 12.559 12.559
197 3HZ LYS 27 HZ2 LYS 27 -10.798 11.445 11.445
198 H GLU 28 HN GLU 28 -14.984 7.545 7.545
199 HA GLU 28 HA GLU 28 -14.677 4.803 4.803
200 1HB GLU 28 HB2 GLU 28 -16.035 5.379 5.379
201 2HB GLU 28 HB3 GLU 28 -17.006 6.500 6.500
202 1HG GLU 28 HG2 GLU 28 -17.510 4.294 4.294
203 2HG GLU 28 HG3 GLU 28 -17.089 3.486 3.486
204 H VAL 29 HN VAL 29 -14.331 4.530 4.530
205 HA VAL 29 HA VAL 29 -16.365 5.649 5.649
206 HB VAL 29 HB VAL 29 -14.738 4.780 4.780
207 1HG1 VAL 29 HG11 VAL 29 -14.739 7.145 7.145
208 2HG1 VAL 29 HG12 VAL 29 -13.048 6.719 6.719
209 3HG1 VAL 29 HG13 VAL 29 -14.208 6.943 6.943
210 1HG2 VAL 29 HG22 VAL 29 -13.561 3.239 3.239
211 2HG2 VAL 29 HG23 VAL 29 -12.503 4.246 4.246
212 3HG2 VAL 29 HG21 VAL 29 -12.791 4.692 4.692
213 H ASP 30 HN ASP 30 -18.170 4.335 4.335
214 HA ASP 30 HA ASP 30 -18.252 1.724 1.724
215 1HB ASP 30 HB2 ASP 30 -20.039 2.848 2.848
216 2HB ASP 30 HB3 ASP 30 -20.461 1.715 1.715
217 H SER 31 HN SER 31 -18.299 -0.263 -0.263
218 HA SER 31 HA SER 31 -17.429 0.083 0.083
219 1HB SER 31 HB2 SER 31 -15.349 -0.510 -0.510
220 2HB SER 31 HB3 SER 31 -15.996 -1.302 -1.302
221 HG SER 31 HG SER 31 -16.253 -2.413 -2.413
222 H GLY 32 HN GLY 32 -19.979 -0.669 -0.669
223 1HA GLY 32 HA1 GLY 32 -21.738 -2.025 -2.025
224 2HA GLY 32 HA2 GLY 32 -20.914 -2.673 -2.673
225 H ASN 33 HN ASN 33 -22.176 -4.644 -4.644
226 HA ASN 33 HA ASN 33 -20.836 -5.765 -5.765
227 1HB ASN 33 HB2 ASN 33 -22.782 -7.234 -7.234
228 2HB ASN 33 HB3 ASN 33 -22.504 -7.503 -7.503
229 1HD2 ASN 33 HD22 ASN 33 -25.607 -5.376 -5.376
230 2HD2 ASN 33 HD21 ASN 33 -24.853 -6.703 -6.703
231 H ASP 34 HN ASP 34 -20.074 -8.195 -8.195
232 HA ASP 34 HA ASP 34 -18.397 -8.291 -8.291
233 1HB ASP 34 HB2 ASP 34 -17.765 -8.730 -8.730
234 2HB ASP 34 HB3 ASP 34 -18.328 -10.349 -10.349
235 H ILE 35 HN ILE 35 -17.994 -11.186 -11.186
236 HA ILE 35 HA ILE 35 -20.378 -11.964 -11.964
237 HB ILE 35 HB ILE 35 -17.789 -13.421 -13.421
238 1HG1 ILE 35 HG12 ILE 35 -17.403 -12.861 -12.861
239 2HG1 ILE 35 HG13 ILE 35 -18.725 -11.719 -11.719
240 1HG2 ILE 35 HG21 ILE 35 -20.238 -14.141 -14.141
241 2HG2 ILE 35 HG22 ILE 35 -18.633 -14.713 -14.713
242 3HG2 ILE 35 HG23 ILE 35 -19.254 -15.141 -15.141
243 1HD1 ILE 35 HD11 ILE 35 -16.498 -11.639 -11.639
244 2HD1 ILE 35 HD12 ILE 35 -16.249 -10.910 -10.910
245 3HD1 ILE 35 HD13 ILE 35 -17.561 -10.324 -10.324
246 H TYR 36 HN TYR 36 -19.711 -11.712 -11.712
247 HA TYR 36 HA TYR 36 -21.067 -14.236 -14.236
248 1HB TYR 36 HB2 TYR 36 -18.702 -13.195 -13.195
249 2HB TYR 36 HB3 TYR 36 -19.778 -12.304 -12.304
250 HD1 TYR 36 HD2 TYR 36 -21.115 -13.472 -13.472
251 HD2 TYR 36 HD1 TYR 36 -18.376 -15.593 -15.593
252 HE1 TYR 36 HE2 TYR 36 -21.205 -15.466 -15.466
253 HE2 TYR 36 HE1 TYR 36 -18.477 -17.580 -17.580
254 HH TYR 36 HH TYR 36 -20.435 -18.395 -18.395
255 H GLY 37 HN GLY 37 -21.752 -11.039 -11.039
256 1HA GLY 37 HA1 GLY 37 -23.799 -10.032 -10.032
257 2HA GLY 37 HA2 GLY 37 -24.216 -11.169 -11.169
258 H ASN 38 HN ASN 38 -21.187 -10.408 -10.408
259 HA ASN 38 HA ASN 38 -22.140 -8.608 -8.608
260 1HB ASN 38 HB2 ASN 38 -19.622 -8.609 -8.609
261 2HB ASN 38 HB3 ASN 38 -20.455 -10.149 -10.149
262 1HD2 ASN 38 HD22 ASN 38 -17.193 -10.634 -10.634
263 2HD2 ASN 38 HD21 ASN 38 -17.750 -10.054 -10.054
264 HA PRO 39 HA PRO 39 -20.812 -4.923 -4.923
265 1HB PRO 39 HB2 PRO 39 -20.312 -3.272 -3.272
266 2HB PRO 39 HB3 PRO 39 -21.925 -3.596 -3.596
267 1HG PRO 39 HG2 PRO 39 -20.616 -4.631 -4.631
268 2HG PRO 39 HG3 PRO 39 -22.322 -4.591 -4.591
269 1HD PRO 39 HD2 PRO 39 -20.589 -6.874 -6.874
270 2HD PRO 39 HD3 PRO 39 -22.265 -6.808 -6.808
271 H ILE 40 HN ILE 40 -19.079 -4.276 -4.276
272 HA ILE 40 HA ILE 40 -16.582 -5.327 -5.327
273 HB ILE 40 HB ILE 40 -17.374 -3.476 -3.476
274 1HG1 ILE 40 HG12 ILE 40 -16.804 -6.450 -6.450
275 2HG1 ILE 40 HG13 ILE 40 -18.348 -5.685 -5.685
276 1HG2 ILE 40 HG23 ILE 40 -14.697 -4.635 -4.635
277 2HG2 ILE 40 HG21 ILE 40 -15.096 -4.225 -4.225
278 3HG2 ILE 40 HG22 ILE 40 -15.119 -2.961 -2.961
279 1HD1 ILE 40 HD12 ILE 40 -16.875 -4.464 -4.464
280 2HD1 ILE 40 HD13 ILE 40 -15.967 -5.989 -5.989
281 3HD1 ILE 40 HD11 ILE 40 -17.702 -6.018 -6.018
282 H LYS 41 HN LYS 41 -17.098 -1.906 -1.906
283 HA LYS 41 HA LYS 41 -16.526 0.007 0.007
284 1HB LYS 41 HB2 LYS 41 -17.885 -0.793 -0.793
285 2HB LYS 41 HB3 LYS 41 -16.453 -1.510 -1.510
286 1HG LYS 41 HG2 LYS 41 -16.900 0.729 0.729
287 2HG LYS 41 HG3 LYS 41 -15.360 0.704 0.704
288 1HD LYS 41 HD2 LYS 41 -16.347 2.710 2.710
289 2HD LYS 41 HD3 LYS 41 -16.674 1.585 1.585
290 1HE LYS 41 HE2 LYS 41 -18.638 2.221 2.221
291 2HE LYS 41 HE3 LYS 41 -18.684 2.961 2.961
292 1HZ LYS 41 HZ3 LYS 41 -18.612 0.384 0.384
293 2HZ LYS 41 HZ1 LYS 41 -19.440 0.314 0.314
294 3HZ LYS 41 HZ2 LYS 41 -19.995 1.236 1.236
295 H ARG 42 HN ARG 42 -14.604 0.977 0.977
296 HA ARG 42 HA ARG 42 -12.260 -0.458 -0.458
297 1HB ARG 42 HB2 ARG 42 -11.349 0.932 0.932
298 2HB ARG 42 HB3 ARG 42 -11.714 -0.781 -0.781
299 1HG ARG 42 HG2 ARG 42 -14.116 -0.232 -0.232
300 2HG ARG 42 HG3 ARG 42 -13.648 1.449 1.449
301 1HD ARG 42 HD2 ARG 42 -11.833 0.606 0.606
302 2HD ARG 42 HD3 ARG 42 -12.698 -0.918 -0.918
303 HE ARG 42 HE ARG 42 -14.428 1.401 1.401
304 1HH1 ARG 42 HH22 ARG 42 -12.346 -1.014 -1.014
305 2HH1 ARG 42 HH21 ARG 42 -13.090 -0.882 -0.882
306 1HH2 ARG 42 HH11 ARG 42 -14.846 0.602 0.602
307 2HH2 ARG 42 HH12 ARG 42 -15.411 1.577 1.577
308 H ILE 43 HN ILE 43 -12.770 1.172 1.172
309 HA ILE 43 HA ILE 43 -12.796 3.845 3.845
310 HB ILE 43 HB ILE 43 -12.033 1.862 1.862
311 1HG1 ILE 43 HG12 ILE 43 -13.070 3.678 3.678
312 2HG1 ILE 43 HG13 ILE 43 -13.397 4.557 4.557
313 1HG2 ILE 43 HG22 ILE 43 -10.520 4.479 4.479
314 2HG2 ILE 43 HG23 ILE 43 -10.786 3.496 3.496
315 3HG2 ILE 43 HG21 ILE 43 -9.871 2.825 2.825
316 1HD1 ILE 43 HD11 ILE 43 -14.179 1.745 1.745
317 2HD1 ILE 43 HD12 ILE 43 -14.982 2.518 2.518
318 3HD1 ILE 43 HD13 ILE 43 -15.154 3.215 3.215
319 H GLN 44 HN GLN 44 -11.294 5.577 5.577
320 HA GLN 44 HA GLN 44 -8.975 4.847 4.847
321 1HB GLN 44 HB2 GLN 44 -10.302 7.509 7.509
322 2HB GLN 44 HB3 GLN 44 -8.788 7.405 7.405
323 1HG GLN 44 HG2 GLN 44 -11.524 6.393 6.393
324 2HG GLN 44 HG3 GLN 44 -10.456 7.484 7.484
325 1HE2 GLN 44 HE22 GLN 44 -9.965 3.388 3.388
326 2HE2 GLN 44 HE21 GLN 44 -10.959 4.169 4.169
327 H TYR 45 HN TYR 45 -7.048 6.676 6.676
328 HA TYR 45 HA TYR 45 -6.632 6.627 6.627
329 1HB TYR 45 HB2 TYR 45 -5.131 5.344 5.344
330 2HB TYR 45 HB3 TYR 45 -4.128 6.116 6.116
331 HD1 TYR 45 HD2 TYR 45 -6.077 5.459 5.459
332 HD2 TYR 45 HD1 TYR 45 -4.348 3.106 3.106
333 HE1 TYR 45 HE2 TYR 45 -6.248 3.383 3.383
334 HE2 TYR 45 HE1 TYR 45 -4.523 1.038 1.038
335 HH TYR 45 HH TYR 45 -4.710 0.989 0.989
336 H GLU 46 HN GLU 46 -7.380 8.950 8.950
337 HA GLU 46 HA GLU 46 -5.726 10.554 10.554
338 1HB GLU 46 HB2 GLU 46 -8.146 10.909 10.909
339 2HB GLU 46 HB3 GLU 46 -7.223 11.691 11.691
340 1HG GLU 46 HG2 GLU 46 -6.232 13.263 13.263
341 2HG GLU 46 HG3 GLU 46 -6.909 12.393 12.393
342 H ILE 47 HN ILE 47 -3.606 9.585 9.585
343 HA ILE 47 HA ILE 47 -2.770 10.224 10.224
344 HB ILE 47 HB ILE 47 -0.563 9.547 9.547
345 1HG1 ILE 47 HG12 ILE 47 -1.883 9.751 9.751
346 2HG1 ILE 47 HG13 ILE 47 -0.336 10.382 10.382
347 1HG2 ILE 47 HG23 ILE 47 -2.903 7.984 7.984
348 2HG2 ILE 47 HG21 ILE 47 -1.988 7.381 7.381
349 3HG2 ILE 47 HG22 ILE 47 -1.214 7.457 7.457
350 1HD1 ILE 47 HD11 ILE 47 -0.228 7.548 7.548
351 2HD1 ILE 47 HD12 ILE 47 -0.913 7.830 7.830
352 3HD1 ILE 47 HD13 ILE 47 0.670 8.521 8.521
353 H LYS 48 HN LYS 48 -0.307 11.447 11.447
354 HA LYS 48 HA LYS 48 -0.955 14.051 14.051
355 1HB LYS 48 HB2 LYS 48 -1.135 13.707 13.707
356 2HB LYS 48 HB3 LYS 48 0.607 13.880 13.880
357 1HG LYS 48 HG2 LYS 48 0.476 16.076 16.076
358 2HG LYS 48 HG3 LYS 48 -1.197 15.868 15.868
359 1HD LYS 48 HD2 LYS 48 -0.636 17.290 17.290
360 2HD LYS 48 HD3 LYS 48 -2.017 16.211 16.211
361 1HE LYS 48 HE2 LYS 48 -0.823 14.526 14.526
362 2HE LYS 48 HE3 LYS 48 0.728 15.277 15.277
363 1HZ LYS 48 HZ1 LYS 48 -1.239 16.898 16.898
364 2HZ LYS 48 HZ2 LYS 48 -0.594 15.666 15.666
365 3HZ LYS 48 HZ3 LYS 48 0.376 16.817 16.817
366 H GLN 49 HN GLN 49 0.816 11.400 11.400
367 HA GLN 49 HA GLN 49 2.877 10.918 10.918
368 1HB GLN 49 HB2 GLN 49 2.196 13.401 13.401
369 2HB GLN 49 HB3 GLN 49 3.684 12.522 12.522
370 1HG GLN 49 HG2 GLN 49 1.014 11.070 11.070
371 2HG GLN 49 HG3 GLN 49 1.551 11.884 11.884
372 1HE2 GLN 49 HE22 GLN 49 4.618 9.815 9.815
373 2HE2 GLN 49 HE21 GLN 49 4.216 11.495 11.495
374 H ILE 50 HN ILE 50 4.447 10.986 10.986
375 HA ILE 50 HA ILE 50 5.583 13.630 13.630
376 HB ILE 50 HB ILE 50 5.612 13.143 13.143
377 1HG1 ILE 50 HG12 ILE 50 6.675 10.474 10.474
378 2HG1 ILE 50 HG13 ILE 50 7.448 11.721 11.721
379 1HG2 ILE 50 HG22 ILE 50 3.330 12.316 12.316
380 2HG2 ILE 50 HG23 ILE 50 3.944 10.692 10.692
381 3HG2 ILE 50 HG21 ILE 50 3.795 11.921 11.921
382 1HD1 ILE 50 HD11 ILE 50 5.458 11.210 11.210
383 2HD1 ILE 50 HD12 ILE 50 5.425 9.652 9.652
384 3HD1 ILE 50 HD13 ILE 50 6.912 10.184 10.184
385 H LYS 51 HN LYS 51 6.170 10.260 10.260
386 HA LYS 51 HA LYS 51 8.800 11.098 11.098
387 1HB LYS 51 HB2 LYS 51 8.536 9.706 9.706
388 2HB LYS 51 HB3 LYS 51 8.931 8.458 8.458
389 1HG LYS 51 HG2 LYS 51 10.992 9.463 9.463
390 2HG LYS 51 HG3 LYS 51 10.494 11.050 11.050
391 1HD LYS 51 HD2 LYS 51 10.324 9.463 9.463
392 2HD LYS 51 HD3 LYS 51 11.759 8.861 8.861
393 1HE LYS 51 HE2 LYS 51 12.545 11.285 11.285
394 2HE LYS 51 HE3 LYS 51 11.187 11.761 11.761
395 1HZ LYS 51 HZ1 LYS 51 13.107 9.729 9.729
396 2HZ LYS 51 HZ2 LYS 51 13.342 11.320 11.320
397 3HZ LYS 51 HZ3 LYS 51 12.040 10.562 10.562
398 H MET 52 HN MET 52 9.735 9.446 9.446
399 HA MET 52 HA MET 52 7.692 7.714 7.714
400 1HB MET 52 HB2 MET 52 8.185 8.605 8.605
401 2HB MET 52 HB3 MET 52 7.481 9.830 9.830
402 1HG MET 52 HG2 MET 52 9.375 11.122 11.122
403 2HG MET 52 HG3 MET 52 10.434 9.744 9.744
404 1HE MET 52 HE1 MET 52 8.494 11.979 11.979
405 2HE MET 52 HE2 MET 52 9.101 11.771 11.771
406 3HE MET 52 HE3 MET 52 7.841 10.682 10.682
407 H PHE 53 HN PHE 53 9.309 6.255 6.255
408 HA PHE 53 HA PHE 53 11.892 5.912 5.912
409 1HB PHE 53 HB2 PHE 53 9.482 4.177 4.177
410 2HB PHE 53 HB3 PHE 53 10.837 3.314 3.314
411 HD1 PHE 53 HD2 PHE 53 13.145 4.476 4.476
412 HD2 PHE 53 HD1 PHE 53 9.318 3.501 3.501
413 HE1 PHE 53 HE2 PHE 53 14.144 4.194 4.194
414 HE2 PHE 53 HE1 PHE 53 10.317 3.220 3.220
415 HZ PHE 53 HZ PHE 53 12.717 3.570 3.570
416 H LYS 54 HN LYS 54 9.685 3.844 3.844
417 HA LYS 54 HA LYS 54 11.344 4.520 4.520
418 1HB LYS 54 HB2 LYS 54 12.186 2.417 2.417
419 2HB LYS 54 HB3 LYS 54 10.578 1.771 1.771
420 1HG LYS 54 HG2 LYS 54 11.649 0.960 0.960
421 2HG LYS 54 HG3 LYS 54 10.114 1.762 1.762
422 1HD LYS 54 HD2 LYS 54 11.412 3.915 3.915
423 2HD LYS 54 HD3 LYS 54 12.888 2.973 2.973
424 1HE LYS 54 HE2 LYS 54 12.584 2.564 2.564
425 2HE LYS 54 HE3 LYS 54 11.304 1.467 1.467
426 1HZ LYS 54 HZ3 LYS 54 10.601 4.260 4.260
427 2HZ LYS 54 HZ1 LYS 54 10.901 3.524 3.524
428 3HZ LYS 54 HZ2 LYS 54 9.737 2.945 2.945
429 H GLY 55 HN GLY 55 9.449 6.088 6.088
430 1HA GLY 55 HA1 GLY 55 7.111 4.707 4.707
431 2HA GLY 55 HA2 GLY 55 7.044 6.236 6.236
432 HA PRO 56 HA PRO 56 7.521 7.235 7.235
433 1HB PRO 56 HB2 PRO 56 5.367 8.901 8.901
434 2HB PRO 56 HB3 PRO 56 5.304 7.195 7.195
435 1HG PRO 56 HG2 PRO 56 4.220 8.591 8.591
436 2HG PRO 56 HG3 PRO 56 3.815 7.002 7.002
437 1HD PRO 56 HD2 PRO 56 5.474 7.589 7.589
438 2HD PRO 56 HD3 PRO 56 5.162 6.008 6.008
439 H GLU 57 HN GLU 57 7.118 9.731 9.731
440 HA GLU 57 HA GLU 57 9.017 11.132 11.132
441 1HB GLU 57 HB2 GLU 57 8.150 12.195 12.195
442 2HB GLU 57 HB3 GLU 57 9.732 12.236 12.236
443 1HG GLU 57 HG2 GLU 57 9.850 9.697 9.697
444 2HG GLU 57 HG3 GLU 57 8.373 9.807 9.807
445 H LYS 58 HN LYS 58 5.703 11.326 11.326
446 HA LYS 58 HA LYS 58 5.305 14.028 14.028
447 1HB LYS 58 HB2 LYS 58 4.100 12.501 12.501
448 2HB LYS 58 HB3 LYS 58 3.039 12.126 12.126
449 1HG LYS 58 HG2 LYS 58 1.953 14.078 14.078
450 2HG LYS 58 HG3 LYS 58 3.393 14.933 14.933
451 1HD LYS 58 HD2 LYS 58 3.063 13.921 13.921
452 2HD LYS 58 HD3 LYS 58 2.467 15.492 15.492
453 1HE LYS 58 HE2 LYS 58 5.112 15.388 15.388
454 2HE LYS 58 HE3 LYS 58 5.221 14.654 14.654
455 1HZ LYS 58 HZ1 LYS 58 3.953 16.616 16.616
456 2HZ LYS 58 HZ2 LYS 58 4.162 17.310 17.310
457 3HZ LYS 58 HZ3 LYS 58 5.459 16.951 16.951
458 H ASP 59 HN ASP 59 3.411 11.156 11.156
459 HA ASP 59 HA ASP 59 4.052 10.790 10.790
460 1HB ASP 59 HB2 ASP 59 4.210 13.096 13.096
461 2HB ASP 59 HB3 ASP 59 2.695 13.506 13.506
462 H ILE 60 HN ILE 60 2.096 10.133 10.133
463 HA ILE 60 HA ILE 60 -0.164 9.487 9.487
464 HB ILE 60 HB ILE 60 0.339 8.136 8.136
465 1HG1 ILE 60 HG12 ILE 60 2.536 8.283 8.283
466 2HG1 ILE 60 HG13 ILE 60 1.979 6.676 6.676
467 1HG2 ILE 60 HG23 ILE 60 -1.671 7.817 7.817
468 2HG2 ILE 60 HG21 ILE 60 -0.514 6.845 6.845
469 3HG2 ILE 60 HG22 ILE 60 -0.891 6.397 6.397
470 1HD1 ILE 60 HD12 ILE 60 1.053 7.710 7.710
471 2HD1 ILE 60 HD13 ILE 60 2.792 7.355 7.355
472 3HD1 ILE 60 HD11 ILE 60 1.594 6.077 6.077
473 H GLU 61 HN GLU 61 0.130 9.691 9.691
474 HA GLU 61 HA GLU 61 -0.893 10.938 10.938
475 1HB GLU 61 HB2 GLU 61 -0.915 12.670 12.670
476 2HB GLU 61 HB3 GLU 61 -2.445 12.847 12.847
477 1HG GLU 61 HG2 GLU 61 -0.741 12.860 12.860
478 2HG GLU 61 HG3 GLU 61 0.317 13.538 13.538
479 H PHE 62 HN PHE 62 -2.358 9.174 9.174
480 HA PHE 62 HA PHE 62 -4.804 8.988 8.988
481 1HB PHE 62 HB2 PHE 62 -4.392 10.028 10.028
482 2HB PHE 62 HB3 PHE 62 -5.571 8.733 8.733
483 HD1 PHE 62 HD1 PHE 62 -7.600 8.985 8.985
484 HD2 PHE 62 HD2 PHE 62 -4.925 12.199 12.199
485 HE1 PHE 62 HE1 PHE 62 -9.356 10.613 10.613
486 HE2 PHE 62 HE2 PHE 62 -6.681 13.828 13.828
487 HZ PHE 62 HZ PHE 62 -8.875 13.016 13.016
488 H ILE 63 HN ILE 63 -4.218 6.919 6.919
489 HA ILE 63 HA ILE 63 -3.646 4.933 4.933
490 HB ILE 63 HB ILE 63 -3.467 4.375 4.375
491 1HG1 ILE 63 HG12 ILE 63 -2.330 6.672 6.672
492 2HG1 ILE 63 HG13 ILE 63 -1.662 5.653 5.653
493 1HG2 ILE 63 HG21 ILE 63 -2.247 3.365 3.365
494 2HG2 ILE 63 HG22 ILE 63 -1.340 3.202 3.202
495 3HG2 ILE 63 HG23 ILE 63 -2.957 2.472 2.472
496 1HD1 ILE 63 HD11 ILE 63 -0.938 5.187 5.187
497 2HD1 ILE 63 HD12 ILE 63 -0.080 6.397 6.397
498 3HD1 ILE 63 HD13 ILE 63 -0.050 4.683 4.683
499 H TYR 64 HN TYR 64 -4.640 2.665 2.665
500 HA TYR 64 HA TYR 64 -7.430 3.106 3.106
501 1HB TYR 64 HB2 TYR 64 -7.706 2.641 2.641
502 2HB TYR 64 HB3 TYR 64 -6.081 2.001 2.001
503 HD1 TYR 64 HD2 TYR 64 -5.768 -0.361 -0.361
504 HD2 TYR 64 HD1 TYR 64 -9.449 1.165 1.165
505 HE1 TYR 64 HE2 TYR 64 -6.713 -2.719 -2.719
506 HE2 TYR 64 HE1 TYR 64 -10.381 -1.199 -1.199
507 HH TYR 64 HH TYR 64 -9.789 -3.422 -3.422
508 H THR 65 HN THR 65 -8.538 1.107 1.107
509 HA THR 65 HA THR 65 -7.131 -1.242 -1.242
510 HB THR 65 HB THR 65 -5.805 0.245 0.245
511 HG1 THR 65 HG1 THR 65 -6.527 -1.012 -1.012
512 1HG2 THR 65 HG22 THR 65 -8.577 1.026 1.026
513 2HG2 THR 65 HG23 THR 65 -7.319 0.863 0.863
514 3HG2 THR 65 HG21 THR 65 -7.103 2.019 2.019
515 H ALA 66 HN ALA 66 -8.414 -1.947 -1.947
516 HA ALA 66 HA ALA 66 -11.195 -1.896 -1.896
517 1HB ALA 66 HB3 ALA 66 -9.381 -4.004 -4.004
518 2HB ALA 66 HB1 ALA 66 -10.889 -3.981 -3.981
519 3HB ALA 66 HB2 ALA 66 -10.952 -4.135 -4.135
520 HA PRO 67 HA PRO 67 -12.275 0.060 0.060
521 1HB PRO 67 HB2 PRO 67 -14.881 -0.705 -0.705
522 2HB PRO 67 HB3 PRO 67 -14.378 0.569 0.569
523 1HG PRO 67 HG2 PRO 67 -15.220 -2.191 -2.191
524 2HG PRO 67 HG3 PRO 67 -15.127 -0.799 -0.799
525 1HD PRO 67 HD2 PRO 67 -13.273 -2.983 -2.983
526 2HD PRO 67 HD3 PRO 67 -13.119 -1.535 -1.535
527 H SER 68 HN SER 68 -14.072 -0.663 -0.663
528 HA SER 68 HA SER 68 -14.127 -1.772 -1.772
529 1HB SER 68 HB2 SER 68 -13.688 -3.840 -3.840
530 2HB SER 68 HB3 SER 68 -12.906 -4.298 -4.298
531 HG SER 68 HG SER 68 -15.181 -3.453 -3.453
532 H SER 69 HN SER 69 -12.336 -3.725 -3.725
533 HA SER 69 HA SER 69 -10.209 -1.952 -1.952
534 1HB SER 69 HB2 SER 69 -9.545 -3.823 -3.823
535 2HB SER 69 HB3 SER 69 -11.170 -3.209 -3.209
536 HG SER 69 HG SER 69 -11.507 -5.380 -5.380
537 H ALA 70 HN ALA 70 -10.111 -2.671 -2.671
538 HA ALA 70 HA ALA 70 -8.544 -3.199 -3.199
539 1HB ALA 70 HB3 ALA 70 -7.084 -3.104 -3.104
540 2HB ALA 70 HB1 ALA 70 -6.596 -4.616 -4.616
541 3HB ALA 70 HB2 ALA 70 -6.434 -3.064 -3.064
542 H VAL 71 HN VAL 71 -9.782 -4.689 -4.689
543 HA VAL 71 HA VAL 71 -9.665 -7.450 -7.450
544 HB VAL 71 HB VAL 71 -11.774 -7.730 -7.730
545 1HG1 VAL 71 HG12 VAL 71 -11.785 -5.580 -5.580
546 2HG1 VAL 71 HG13 VAL 71 -11.838 -4.706 -4.706
547 3HG1 VAL 71 HG11 VAL 71 -13.174 -5.790 -5.790
548 1HG2 VAL 71 HG22 VAL 71 -11.035 -6.072 -6.072
549 2HG2 VAL 71 HG23 VAL 71 -11.441 -7.802 -7.802
550 3HG2 VAL 71 HG21 VAL 71 -12.712 -6.576 -6.576
551 H CYS 72 HN CYS 72 -9.070 -5.241 -5.241
552 HA CYS 72 HA CYS 72 -7.593 -7.445 -7.445
553 1HB CYS 72 HB2 CYS 72 -9.046 -5.299 -5.299
554 2HB CYS 72 HB3 CYS 72 -8.238 -6.720 -6.720
555 H GLY 73 HN GLY 73 -7.048 -5.041 -5.041
556 1HA GLY 73 HA1 GLY 73 -4.653 -4.147 -4.147
557 2HA GLY 73 HA2 GLY 73 -5.835 -2.894 -2.894
558 H VAL 74 HN VAL 74 -4.293 -1.868 -1.868
559 HA VAL 74 HA VAL 74 -4.066 -3.316 -3.316
560 HB VAL 74 HB VAL 74 -2.225 -1.221 -1.221
561 1HG1 VAL 74 HG11 VAL 74 -2.180 -2.783 -2.783
562 2HG1 VAL 74 HG12 VAL 74 -0.721 -2.032 -2.032
563 3HG1 VAL 74 HG13 VAL 74 -2.114 -1.020 -1.020
564 1HG2 VAL 74 HG23 VAL 74 -2.324 -3.654 -3.654
565 2HG2 VAL 74 HG21 VAL 74 -0.759 -2.878 -2.878
566 3HG2 VAL 74 HG22 VAL 74 -1.421 -4.075 -4.075
567 H SER 75 HN SER 75 -6.055 -1.267 -1.267
568 HA SER 75 HA SER 75 -6.894 0.774 0.774
569 1HB SER 75 HB2 SER 75 -8.718 0.078 0.078
570 2HB SER 75 HB3 SER 75 -7.862 -1.414 -1.414
571 HG SER 75 HG SER 75 -8.617 -0.410 -0.410
572 H LEU 76 HN LEU 76 -5.146 2.276 2.276
573 HA LEU 76 HA LEU 76 -4.233 2.625 2.625
574 1HB LEU 76 HB2 LEU 76 -2.840 3.965 3.965
575 2HB LEU 76 HB3 LEU 76 -2.205 3.289 3.289
576 HG LEU 76 HG LEU 76 -3.064 1.033 1.033
577 1HD1 LEU 76 HD12 LEU 76 -3.241 2.883 2.883
578 2HD1 LEU 76 HD13 LEU 76 -1.553 2.356 2.356
579 3HD1 LEU 76 HD11 LEU 76 -2.872 1.163 1.163
580 1HD2 LEU 76 HD23 LEU 76 -0.647 2.166 2.166
581 2HD2 LEU 76 HD21 LEU 76 -0.992 0.465 0.465
582 3HD2 LEU 76 HD22 LEU 76 -0.331 1.548 1.548
583 H ASP 77 HN ASP 77 -4.823 4.429 4.429
584 HA ASP 77 HA ASP 77 -6.157 6.474 6.474
585 1HB ASP 77 HB2 ASP 77 -7.755 6.732 6.732
586 2HB ASP 77 HB3 ASP 77 -7.403 5.025 5.025
587 H VAL 78 HN VAL 78 -3.413 5.646 5.646
588 HA VAL 78 HA VAL 78 -1.674 6.845 6.845
589 HB VAL 78 HB VAL 78 -3.286 8.881 8.881
590 1HG1 VAL 78 HG13 VAL 78 -1.545 9.583 9.583
591 2HG1 VAL 78 HG11 VAL 78 -1.481 10.619 10.619
592 3HG1 VAL 78 HG12 VAL 78 -3.027 10.366 10.366
593 1HG2 VAL 78 HG21 VAL 78 -0.776 7.498 7.498
594 2HG2 VAL 78 HG22 VAL 78 -1.652 8.494 8.494
595 3HG2 VAL 78 HG23 VAL 78 -0.497 9.255 9.255
596 H GLY 79 HN GLY 79 -4.956 7.832 7.832
597 1HA GLY 79 HA1 GLY 79 -4.289 9.144 9.144
598 2HA GLY 79 HA2 GLY 79 -5.814 8.368 8.368
599 H GLY 80 HN GLY 80 -3.804 5.863 5.863
600 1HA GLY 80 HA1 GLY 80 -3.665 5.071 5.071
601 2HA GLY 80 HA2 GLY 80 -4.281 4.009 4.009
602 H LYS 81 HN LYS 81 -2.401 4.780 4.780
603 HA LYS 81 HA LYS 81 -0.089 3.337 3.337
604 1HB LYS 81 HB2 LYS 81 0.222 3.644 3.644
605 2HB LYS 81 HB3 LYS 81 -0.375 2.225 2.225
606 1HG LYS 81 HG2 LYS 81 -2.179 4.539 4.539
607 2HG LYS 81 HG3 LYS 81 -1.892 3.137 3.137
608 1HD LYS 81 HD2 LYS 81 -3.260 1.796 1.796
609 2HD LYS 81 HD3 LYS 81 -2.632 2.410 2.410
610 1HE LYS 81 HE2 LYS 81 -4.470 3.712 3.712
611 2HE LYS 81 HE3 LYS 81 -4.109 4.549 4.549
612 1HZ LYS 81 HZ2 LYS 81 -5.145 2.501 2.501
613 2HZ LYS 81 HZ3 LYS 81 -5.791 2.200 2.200
614 3HZ LYS 81 HZ1 LYS 81 -6.142 3.594 3.594
615 H LYS 82 HN LYS 82 0.219 5.418 5.418
616 HA LYS 82 HA LYS 82 0.928 7.811 7.811
617 1HB LYS 82 HB2 LYS 82 3.480 7.562 7.562
618 2HB LYS 82 HB3 LYS 82 2.516 7.051 7.051
619 1HG LYS 82 HG2 LYS 82 2.663 4.770 4.770
620 2HG LYS 82 HG3 LYS 82 4.275 5.459 5.459
621 1HD LYS 82 HD2 LYS 82 4.685 4.654 4.654
622 2HD LYS 82 HD3 LYS 82 3.332 5.560 5.560
623 1HE LYS 82 HE2 LYS 82 1.847 3.753 3.753
624 2HE LYS 82 HE3 LYS 82 2.714 3.025 3.025
625 1HZ LYS 82 HZ3 LYS 82 4.350 3.136 3.136
626 2HZ LYS 82 HZ1 LYS 82 2.946 2.385 2.385
627 3HZ LYS 82 HZ2 LYS 82 3.875 1.831 1.831
628 H GLU 83 HN GLU 83 2.896 5.426 5.426
629 HA GLU 83 HA GLU 83 1.942 6.562 6.562
630 1HB GLU 83 HB2 GLU 83 4.743 6.865 6.865
631 2HB GLU 83 HB3 GLU 83 3.529 8.128 8.128
632 1HG GLU 83 HG2 GLU 83 5.234 8.634 8.634
633 2HG GLU 83 HG3 GLU 83 3.714 8.290 8.290
634 H TYR 84 HN TYR 84 3.035 5.448 5.448
635 HA TYR 84 HA TYR 84 4.384 2.973 2.973
636 1HB TYR 84 HB2 TYR 84 2.631 1.759 1.759
637 2HB TYR 84 HB3 TYR 84 1.956 2.434 2.434
638 HD1 TYR 84 HD2 TYR 84 2.605 3.566 3.566
639 HD2 TYR 84 HD1 TYR 84 -0.092 3.489 3.489
640 HE1 TYR 84 HE2 TYR 84 0.874 4.830 4.830
641 HE2 TYR 84 HE1 TYR 84 -1.814 4.753 4.753
642 HH TYR 84 HH TYR 84 -2.193 4.896 4.896
643 H LEU 85 HN LEU 85 5.440 1.950 1.950
644 HA LEU 85 HA LEU 85 6.160 3.912 3.912
645 1HB LEU 85 HB2 LEU 85 7.834 2.217 2.217
646 2HB LEU 85 HB3 LEU 85 7.946 2.742 2.742
647 HG LEU 85 HG LEU 85 8.173 0.202 0.202
648 1HD1 LEU 85 HD12 LEU 85 7.947 1.509 1.509
649 2HD1 LEU 85 HD13 LEU 85 6.465 0.525 0.525
650 3HD1 LEU 85 HD11 LEU 85 8.048 -0.263 -0.263
651 1HD2 LEU 85 HD23 LEU 85 5.173 0.502 0.502
652 2HD2 LEU 85 HD21 LEU 85 6.047 0.014 0.014
653 3HD2 LEU 85 HD22 LEU 85 6.066 -1.038 -1.038
654 H ILE 86 HN ILE 86 3.526 2.017 2.017
655 HA ILE 86 HA ILE 86 2.586 0.449 0.449
656 HB ILE 86 HB ILE 86 1.948 3.253 3.253
657 1HG1 ILE 86 HG12 ILE 86 -0.313 2.435 2.435
658 2HG1 ILE 86 HG13 ILE 86 0.155 0.855 0.855
659 1HG2 ILE 86 HG22 ILE 86 1.640 1.784 1.784
660 2HG2 ILE 86 HG23 ILE 86 0.476 3.037 3.037
661 3HG2 ILE 86 HG21 ILE 86 2.198 3.445 3.445
662 1HD1 ILE 86 HD11 ILE 86 1.825 1.519 1.519
663 2HD1 ILE 86 HD12 ILE 86 0.114 1.750 1.750
664 3HD1 ILE 86 HD13 ILE 86 0.672 0.175 0.175
665 H ALA 87 HN ALA 87 3.777 -0.882 -0.882
666 HA ALA 87 HA ALA 87 4.776 0.340 0.340
667 1HB ALA 87 HB3 ALA 87 6.142 -1.277 -1.277
668 2HB ALA 87 HB1 ALA 87 6.366 -1.878 -1.878
669 3HB ALA 87 HB2 ALA 87 6.821 -0.207 -0.207
670 H GLY 88 HN GLY 88 3.448 -0.318 -0.318
671 1HA GLY 88 HA1 GLY 88 2.765 -3.181 -3.181
672 2HA GLY 88 HA2 GLY 88 1.493 -1.981 -1.981
673 H LYS 89 HN LYS 89 1.463 -3.435 -3.435
674 HA LYS 89 HA LYS 89 3.367 -2.930 -2.930
675 1HB LYS 89 HB2 LYS 89 0.515 -3.891 -3.891
676 2HB LYS 89 HB3 LYS 89 1.336 -3.569 -3.569
677 1HG LYS 89 HG2 LYS 89 3.245 -5.069 -5.069
678 2HG LYS 89 HG3 LYS 89 2.217 -5.511 -5.511
679 1HD LYS 89 HD2 LYS 89 1.118 -7.022 -7.022
680 2HD LYS 89 HD3 LYS 89 0.664 -5.771 -5.771
681 1HE LYS 89 HE2 LYS 89 3.389 -6.206 -6.206
682 2HE LYS 89 HE3 LYS 89 2.780 -7.813 -7.813
683 1HZ LYS 89 HZ3 LYS 89 1.026 -6.292 -6.292
684 2HZ LYS 89 HZ1 LYS 89 2.494 -6.509 -6.509
685 3HZ LYS 89 HZ2 LYS 89 1.610 -7.801 -7.801
686 H ALA 90 HN ALA 90 0.947 -0.896 -0.896
687 HA ALA 90 HA ALA 90 0.526 1.263 1.263
688 1HB ALA 90 HB2 ALA 90 2.976 0.888 0.888
689 2HB ALA 90 HB3 ALA 90 1.920 1.863 1.863
690 3HB ALA 90 HB1 ALA 90 2.282 2.411 2.411
691 H GLU 91 HN GLU 91 -0.301 2.793 2.793
692 HA GLU 91 HA GLU 91 -1.961 1.016 1.016
693 1HB GLU 91 HB2 GLU 91 -3.203 2.118 2.118
694 2HB GLU 91 HB3 GLU 91 -2.868 3.671 3.671
695 1HG GLU 91 HG2 GLU 91 -4.129 3.086 3.086
696 2HG GLU 91 HG3 GLU 91 -4.273 1.415 1.415
697 H GLY 92 HN GLY 92 -0.372 4.224 4.224
698 1HA GLY 92 HA1 GLY 92 0.823 4.485 4.485
699 2HA GLY 92 HA2 GLY 92 -0.827 4.893 4.893
700 H ASP 93 HN ASP 93 1.264 5.550 5.550
701 HA ASP 93 HA ASP 93 1.731 7.378 7.378
702 1HB ASP 93 HB2 ASP 93 2.784 8.043 8.043
703 2HB ASP 93 HB3 ASP 93 1.266 8.735 8.735
704 H GLY 94 HN GLY 94 0.723 9.355 9.355
705 1HA GLY 94 HA1 GLY 94 -1.004 10.600 10.600
706 2HA GLY 94 HA2 GLY 94 -1.737 10.423 10.423
707 H LYS 95 HN LYS 95 -1.185 7.280 7.280
708 HA LYS 95 HA LYS 95 -2.993 6.740 6.740
709 1HB LYS 95 HB2 LYS 95 -5.058 6.430 6.430
710 2HB LYS 95 HB3 LYS 95 -4.509 7.812 7.812
711 1HG LYS 95 HG2 LYS 95 -4.233 4.906 4.906
712 2HG LYS 95 HG3 LYS 95 -5.503 5.993 5.993
713 1HD LYS 95 HD2 LYS 95 -2.507 6.387 6.387
714 2HD LYS 95 HD3 LYS 95 -3.674 5.910 5.910
715 1HE LYS 95 HE2 LYS 95 -3.567 8.578 8.578
716 2HE LYS 95 HE3 LYS 95 -3.248 8.310 8.310
717 1HZ LYS 95 HZ2 LYS 95 -5.726 7.261 7.261
718 2HZ LYS 95 HZ3 LYS 95 -5.716 8.667 8.667
719 3HZ LYS 95 HZ1 LYS 95 -5.385 8.661 8.661
720 H MET 96 HN MET 96 -3.055 4.497 4.497
721 HA MET 96 HA MET 96 -1.925 2.768 2.768
722 1HB MET 96 HB2 MET 96 -0.444 1.876 1.876
723 2HB MET 96 HB3 MET 96 0.151 3.132 3.132
724 1HG MET 96 HG2 MET 96 0.009 4.750 4.750
725 2HG MET 96 HG3 MET 96 -1.552 4.188 4.188
726 1HE MET 96 HE2 MET 96 1.897 4.542 4.542
727 2HE MET 96 HE3 MET 96 1.683 4.725 4.725
728 3HE MET 96 HE1 MET 96 2.590 3.336 3.336
729 H HIS 97 HN HIS 97 -1.548 0.455 0.455
730 HA HIS 97 HA HIS 97 -4.099 0.141 0.141
731 1HB HIS 97 HB2 HIS 97 -3.426 -0.956 -0.956
732 2HB HIS 97 HB3 HIS 97 -3.402 -2.280 -2.280
733 HD1 HIS 97 HD1 HIS 97 -5.579 -3.397 -3.397
734 HD2 HIS 97 HD2 HIS 97 -6.049 0.653 0.653
735 HE1 HIS 97 HE1 HIS 97 -8.092 -2.961 -2.961
736 H ILE 98 HN ILE 98 -3.872 -0.769 -0.769
737 HA ILE 98 HA ILE 98 -1.501 -2.421 -2.421
738 HB ILE 98 HB ILE 98 -1.154 -1.311 -1.311
739 1HG1 ILE 98 HG12 ILE 98 -3.315 0.550 0.550
740 2HG1 ILE 98 HG13 ILE 98 -3.290 -0.372 -0.372
741 1HG2 ILE 98 HG22 ILE 98 -0.031 -0.696 -0.696
742 2HG2 ILE 98 HG23 ILE 98 -0.951 0.819 0.819
743 3HG2 ILE 98 HG21 ILE 98 0.215 0.342 0.342
744 1HD1 ILE 98 HD11 ILE 98 -1.072 1.616 1.616
745 2HD1 ILE 98 HD12 ILE 98 -2.658 2.196 2.196
746 3HD1 ILE 98 HD13 ILE 98 -1.727 1.049 1.049
747 H THR 99 HN THR 99 -1.829 -4.165 -4.165
748 HA THR 99 HA THR 99 -4.451 -4.334 -4.334
749 HB THR 99 HB THR 99 -4.435 -6.791 -6.791
750 HG1 THR 99 HG1 THR 99 -3.271 -6.588 -6.588
751 1HG2 THR 99 HG22 THR 99 -5.097 -4.230 -4.230
752 2HG2 THR 99 HG23 THR 99 -5.090 -5.736 -5.736
753 3HG2 THR 99 HG21 THR 99 -6.171 -5.574 -5.574
754 H LEU 100 HN LEU 100 -4.560 -6.070 -6.070
755 HA LEU 100 HA LEU 100 -2.322 -5.936 -5.936
756 1HB LEU 100 HB2 LEU 100 -3.599 -7.022 -7.022
757 2HB LEU 100 HB3 LEU 100 -4.842 -6.377 -6.377
758 HG LEU 100 HG LEU 100 -3.897 -9.089 -9.089
759 1HD1 LEU 100 HD12 LEU 100 -4.793 -8.455 -8.455
760 2HD1 LEU 100 HD13 LEU 100 -5.694 -9.771 -9.771
761 3HD1 LEU 100 HD11 LEU 100 -3.924 -9.874 -9.874
762 1HD2 LEU 100 HD21 LEU 100 -6.566 -7.690 -7.690
763 2HD2 LEU 100 HD22 LEU 100 -5.708 -8.222 -8.222
764 3HD2 LEU 100 HD23 LEU 100 -6.409 -9.426 -9.426
765 H CYS 101 HN CYS 101 -3.111 -7.983 -7.983
766 HA CYS 101 HA CYS 101 -1.333 -10.080 -10.080
767 1HB CYS 101 HB2 CYS 101 -2.009 -10.185 -10.185
768 2HB CYS 101 HB3 CYS 101 -2.407 -11.299 -11.299
769 H ASP 102 HN ASP 102 -1.331 -7.078 -7.078
770 HA ASP 102 HA ASP 102 1.085 -7.709 -7.709
771 1HB ASP 102 HB2 ASP 102 -0.870 -6.047 -6.047
772 2HB ASP 102 HB3 ASP 102 -0.026 -4.911 -4.911
773 H PHE 103 HN PHE 103 2.924 -5.843 -5.843
774 HA PHE 103 HA PHE 103 3.840 -5.989 -5.989
775 1HB PHE 103 HB2 PHE 103 5.430 -6.006 -6.006
776 2HB PHE 103 HB3 PHE 103 4.652 -4.645 -4.645
777 HD1 PHE 103 HD2 PHE 103 5.171 -4.385 -4.385
778 HD2 PHE 103 HD1 PHE 103 6.914 -3.644 -3.644
779 HE1 PHE 103 HE2 PHE 103 6.827 -2.828 -2.828
780 HE2 PHE 103 HE1 PHE 103 8.570 -2.087 -2.087
781 HZ PHE 103 HZ PHE 103 8.506 -1.697 -1.697
782 H ILE 104 HN ILE 104 3.275 -4.685 -4.685
783 HA ILE 104 HA ILE 104 3.202 -1.871 -1.871
784 HB ILE 104 HB ILE 104 0.760 -1.783 -1.783
785 1HG1 ILE 104 HG12 ILE 104 0.728 -4.429 -4.429
786 2HG1 ILE 104 HG13 ILE 104 0.455 -4.207 -4.207
787 1HG2 ILE 104 HG22 ILE 104 1.944 -1.229 -1.229
788 2HG2 ILE 104 HG23 ILE 104 0.710 -2.408 -2.408
789 3HG2 ILE 104 HG21 ILE 104 0.227 -0.934 -0.934
790 1HD1 ILE 104 HD12 ILE 104 -1.451 -2.572 -2.572
791 2HD1 ILE 104 HD13 ILE 104 -1.288 -3.288 -3.288
792 3HD1 ILE 104 HD11 ILE 104 -1.731 -4.314 -4.314
793 H VAL 105 HN VAL 105 3.606 -0.873 -0.873
794 HA VAL 105 HA VAL 105 3.009 -2.249 -2.249
795 HB VAL 105 HB VAL 105 5.672 -1.794 -1.794
796 1HG1 VAL 105 HG12 VAL 105 4.189 -4.320 -4.320
797 2HG1 VAL 105 HG13 VAL 105 5.871 -4.321 -4.321
798 3HG1 VAL 105 HG11 VAL 105 4.567 -3.715 -3.715
799 1HG2 VAL 105 HG21 VAL 105 5.373 -2.908 -2.908
800 2HG2 VAL 105 HG22 VAL 105 6.185 -1.398 -1.398
801 3HG2 VAL 105 HG23 VAL 105 6.869 -2.968 -2.968
802 HA PRO 106 HA PRO 106 3.002 1.860 1.860
803 1HB PRO 106 HB2 PRO 106 3.421 1.624 1.624
804 2HB PRO 106 HB3 PRO 106 1.869 1.328 1.328
805 1HG PRO 106 HG2 PRO 106 3.820 -0.627 -0.627
806 2HG PRO 106 HG3 PRO 106 2.120 -0.857 -0.857
807 1HD PRO 106 HD2 PRO 106 4.345 -1.734 -1.734
808 2HD PRO 106 HD3 PRO 106 2.648 -1.861 -1.861
809 H TRP 107 HN TRP 107 5.704 0.367 0.367
810 HA TRP 107 HA TRP 107 7.787 1.091 1.091
811 1HB TRP 107 HB2 TRP 107 6.752 3.270 3.270
812 2HB TRP 107 HB3 TRP 107 6.849 3.744 3.744
813 HD1 TRP 107 HD1 TRP 107 9.502 2.348 2.348
814 HE1 TRP 107 HE1 TRP 107 11.742 3.732 3.732
815 HE3 TRP 107 HE3 TRP 107 7.892 5.508 5.508
816 HZ2 TRP 107 HZ2 TRP 107 12.571 5.943 5.943
817 HZ3 TRP 107 HZ3 TRP 107 9.479 7.250 7.250
818 HH2 TRP 107 HH2 TRP 107 11.748 7.497 7.497
819 H ASP 108 HN ASP 108 6.457 2.612 2.612
820 HA ASP 108 HA ASP 108 8.793 2.074 2.074
821 1HB ASP 108 HB2 ASP 108 7.131 3.844 3.844
822 2HB ASP 108 HB3 ASP 108 5.945 2.611 2.611
823 H THR 109 HN THR 109 8.357 -0.359 -0.359
824 HA THR 109 HA THR 109 7.831 -2.058 -2.058
825 HB THR 109 HB THR 109 6.079 -3.350 -3.350
826 HG1 THR 109 HG1 THR 109 6.074 -0.557 -0.557
827 1HG2 THR 109 HG22 THR 109 5.557 -1.967 -1.967
828 2HG2 THR 109 HG23 THR 109 5.170 -0.626 -0.626
829 3HG2 THR 109 HG21 THR 109 4.231 -2.137 -2.137
830 H LEU 110 HN LEU 110 8.035 -2.093 -2.093
831 HA LEU 110 HA LEU 110 8.974 -3.944 -3.944
832 1HB LEU 110 HB2 LEU 110 11.230 -2.124 -2.124
833 2HB LEU 110 HB3 LEU 110 11.200 -3.156 -3.156
834 HG LEU 110 HG LEU 110 9.317 -0.828 -0.828
835 1HD1 LEU 110 HD12 LEU 110 11.770 -0.248 -0.248
836 2HD1 LEU 110 HD13 LEU 110 11.622 -0.908 -0.908
837 3HD1 LEU 110 HD11 LEU 110 10.628 0.484 0.484
838 1HD2 LEU 110 HD21 LEU 110 9.160 -3.029 -3.029
839 2HD2 LEU 110 HD22 LEU 110 8.113 -1.592 -1.592
840 3HD2 LEU 110 HD23 LEU 110 9.549 -1.577 -1.577
841 H SER 111 HN SER 111 12.010 -3.557 -3.557
842 HA SER 111 HA SER 111 12.156 -4.951 -4.951
843 1HB SER 111 HB2 SER 111 11.200 -6.857 -6.857
844 2HB SER 111 HB3 SER 111 12.390 -7.460 -7.460
845 HG SER 111 HG SER 111 9.760 -6.414 -6.414
846 H THR 112 HN THR 112 13.134 -5.260 -5.260
847 HA THR 112 HA THR 112 15.618 -4.327 -4.327
848 HB THR 112 HB THR 112 15.460 -6.952 -6.952
849 HG1 THR 112 HG1 THR 112 17.317 -5.865 -5.865
850 1HG2 THR 112 HG21 THR 112 17.414 -6.407 -6.407
851 2HG2 THR 112 HG22 THR 112 18.019 -7.171 -7.171
852 3HG2 THR 112 HG23 THR 112 16.735 -7.961 -7.961
853 H THR 113 HN THR 113 14.491 -7.640 -7.640
854 HA THR 113 HA THR 113 15.654 -7.637 -7.637
855 HB THR 113 HB THR 113 13.060 -8.892 -8.892
856 HG1 THR 113 HG1 THR 113 15.035 -9.505 -9.505
857 1HG2 THR 113 HG22 THR 113 13.701 -8.829 -8.829
858 2HG2 THR 113 HG23 THR 113 14.733 -10.181 -10.181
859 3HG2 THR 113 HG21 THR 113 12.972 -10.254 -10.254
860 H GLN 114 HN GLN 114 12.820 -5.852 -5.852
861 HA GLN 114 HA GLN 114 11.970 -5.335 -5.335
862 1HB GLN 114 HB2 GLN 114 11.039 -4.577 -4.577
863 2HB GLN 114 HB3 GLN 114 10.509 -3.585 -3.585
864 1HG GLN 114 HG2 GLN 114 8.825 -5.160 -5.160
865 2HG GLN 114 HG3 GLN 114 9.992 -6.003 -6.003
866 1HE2 GLN 114 HE22 GLN 114 11.109 -8.190 -8.190
867 2HE2 GLN 114 HE21 GLN 114 11.763 -7.120 -7.120
868 H LYS 115 HN LYS 115 14.002 -3.834 -3.834
869 HA LYS 115 HA LYS 115 14.029 -1.266 -1.266
870 1HB LYS 115 HB2 LYS 115 15.080 -2.528 -2.528
871 2HB LYS 115 HB3 LYS 115 16.253 -1.458 -1.458
872 1HG LYS 115 HG2 LYS 115 14.940 0.442 0.442
873 2HG LYS 115 HG3 LYS 115 13.432 -0.439 -0.439
874 1HD LYS 115 HD2 LYS 115 15.295 -0.303 -0.303
875 2HD LYS 115 HD3 LYS 115 13.626 0.220 0.220
876 1HE LYS 115 HE2 LYS 115 13.109 -2.305 -2.305
877 2HE LYS 115 HE3 LYS 115 14.707 -2.617 -2.617
878 1HZ LYS 115 HZ1 LYS 115 13.882 -1.230 -1.230
879 2HZ LYS 115 HZ2 LYS 115 12.383 -1.520 -1.520
880 3HZ LYS 115 HZ3 LYS 115 13.343 -2.765 -2.765
881 H LYS 116 HN LYS 116 16.105 -4.207 -4.207
882 HA LYS 116 HA LYS 116 18.205 -3.080 -3.080
883 1HB LYS 116 HB2 LYS 116 19.032 -5.266 -5.266
884 2HB LYS 116 HB3 LYS 116 18.158 -5.244 -5.244
885 1HG LYS 116 HG2 LYS 116 17.049 -7.074 -7.074
886 2HG LYS 116 HG3 LYS 116 16.162 -5.967 -5.967
887 1HD LYS 116 HD2 LYS 116 18.828 -6.760 -6.760
888 2HD LYS 116 HD3 LYS 116 17.690 -8.084 -8.084
889 1HE LYS 116 HE2 LYS 116 16.629 -7.395 -7.395
890 2HE LYS 116 HE3 LYS 116 16.229 -5.875 -5.875
891 1HZ LYS 116 HZ3 LYS 116 18.939 -5.987 -5.987
892 2HZ LYS 116 HZ1 LYS 116 17.904 -6.180 -6.180
893 3HZ LYS 116 HZ2 LYS 116 17.806 -4.851 -4.851
894 H SER 117 HN SER 117 14.950 -3.942 -3.942
895 HA SER 117 HA SER 117 15.665 -4.206 -4.206
896 1HB SER 117 HB2 SER 117 13.612 -5.252 -5.252
897 2HB SER 117 HB3 SER 117 12.791 -4.054 -4.054
898 HG SER 117 HG SER 117 13.566 -6.528 -6.528
899 H LEU 118 HN LEU 118 15.014 -1.732 -1.732
900 HA LEU 118 HA LEU 118 13.476 -0.028 -0.028
901 1HB LEU 118 HB2 LEU 118 14.937 0.313 0.313
902 2HB LEU 118 HB3 LEU 118 14.225 1.679 1.679
903 HG LEU 118 HG LEU 118 12.734 -0.770 -0.770
904 1HD1 LEU 118 HD11 LEU 118 13.513 1.696 1.696
905 2HD1 LEU 118 HD12 LEU 118 11.740 1.536 1.536
906 3HD1 LEU 118 HD13 LEU 118 12.725 0.249 0.249
907 1HD2 LEU 118 HD22 LEU 118 11.783 1.688 1.688
908 2HD2 LEU 118 HD23 LEU 118 11.607 -0.022 -0.022
909 3HD2 LEU 118 HD21 LEU 118 10.699 0.621 0.621
910 H ASN 119 HN ASN 119 16.892 -0.794 -0.794
911 HA ASN 119 HA ASN 119 17.618 1.542 1.542
912 1HB ASN 119 HB2 ASN 119 19.999 0.684 0.684
913 2HB ASN 119 HB3 ASN 119 19.069 1.188 1.188
914 1HD2 ASN 119 HD22 ASN 119 20.033 -2.768 -2.768
915 2HD2 ASN 119 HD21 ASN 119 20.161 -1.556 -1.556
916 H HIS 120 HN HIS 120 16.348 -1.374 -1.374
917 HA HIS 120 HA HIS 120 18.299 -2.421 -2.421
918 1HB HIS 120 HB2 HIS 120 16.840 -4.192 -4.192
919 2HB HIS 120 HB3 HIS 120 16.507 -3.696 -3.696
920 HD1 HIS 120 HD1 HIS 120 14.825 -1.105 -1.105
921 HD2 HIS 120 HD2 HIS 120 14.106 -5.238 -5.238
922 HE1 HIS 120 HE1 HIS 120 12.353 -1.401 -1.401
923 H ARG 121 HN ARG 121 16.519 0.357 0.357
924 HA ARG 121 HA ARG 121 16.073 1.764 1.764
925 1HB ARG 121 HB2 ARG 121 17.921 -0.023 -0.023
926 2HB ARG 121 HB3 ARG 121 16.665 0.368 0.368
927 1HG ARG 121 HG2 ARG 121 18.572 1.997 1.997
928 2HG ARG 121 HG3 ARG 121 17.039 2.768 2.768
929 1HD ARG 121 HD2 ARG 121 17.933 3.612 3.612
930 2HD ARG 121 HD3 ARG 121 18.106 1.982 1.982
931 HE ARG 121 HE ARG 121 20.288 2.282 2.282
932 1HH1 ARG 121 HH22 ARG 121 19.054 4.043 4.043
933 2HH1 ARG 121 HH21 ARG 121 20.617 4.593 4.593
934 1HH2 ARG 121 HH12 ARG 121 22.350 3.008 3.008
935 2HH2 ARG 121 HH11 ARG 121 22.505 4.000 4.000
936 H TYR 122 HN TYR 122 15.453 -1.583 -1.583
937 HA TYR 122 HA TYR 122 12.712 -1.494 -1.494
938 1HB TYR 122 HB2 TYR 122 12.634 0.314 0.314
939 2HB TYR 122 HB3 TYR 122 13.982 -0.340 -0.340
940 HD1 TYR 122 HD2 TYR 122 10.626 -1.659 -1.659
941 HD2 TYR 122 HD1 TYR 122 13.382 -1.005 -1.005
942 HE1 TYR 122 HE2 TYR 122 9.004 -2.751 -2.751
943 HE2 TYR 122 HE1 TYR 122 11.752 -2.099 -2.099
944 HH TYR 122 HH TYR 122 8.511 -2.802 -2.802
945 H GLN 123 HN GLN 123 12.980 -3.684 -3.684
946 HA GLN 123 HA GLN 123 13.399 -5.807 -5.807
947 1HB GLN 123 HB2 GLN 123 11.397 -5.644 -5.644
948 2HB GLN 123 HB3 GLN 123 12.323 -5.102 -5.102
949 1HG GLN 123 HG2 GLN 123 13.527 -7.555 -7.555
950 2HG GLN 123 HG3 GLN 123 11.797 -7.826 -7.826
951 1HE2 GLN 123 HE22 GLN 123 13.492 -8.315 -8.315
952 2HE2 GLN 123 HE21 GLN 123 14.075 -8.627 -8.627
953 H MET 124 HN MET 124 15.801 -4.726 -4.726
954 HA MET 124 HA MET 124 17.257 -4.984 -4.984
955 1HB MET 124 HB2 MET 124 17.677 -4.179 -4.179
956 2HB MET 124 HB3 MET 124 19.016 -5.172 -5.172
957 1HG MET 124 HG2 MET 124 18.128 -3.090 -3.090
958 2HG MET 124 HG3 MET 124 18.817 -2.464 -2.464
959 1HE MET 124 HE3 MET 124 20.918 -2.219 -2.219
960 2HE MET 124 HE1 MET 124 21.476 -3.872 -3.872
961 3HE MET 124 HE2 MET 124 22.391 -2.848 -2.848
962 H GLY 125 HN GLY 125 16.027 -7.332 -7.332
963 1HA GLY 125 HA1 GLY 125 16.321 -9.555 -9.555
964 2HA GLY 125 HA2 GLY 125 18.045 -9.251 -9.251
965 H CYS 126 HN CYS 126 16.028 -8.085 -8.085
966 HA CYS 126 HA CYS 126 17.470 -9.457 -9.457
967 1HB CYS 126 HB2 CYS 126 16.163 -8.413 -8.413
968 2HB CYS 126 HB3 CYS 126 15.866 -7.391 -7.391
969 H GLU 127 HN GLU 127 15.558 -10.674 -10.674
970 HA GLU 127 HA GLU 127 13.854 -12.438 -12.438
971 1HB GLU 127 HB2 GLU 127 15.955 -13.385 -13.385
972 2HB GLU 127 HB3 GLU 127 16.562 -13.698 -13.698
973 1HG GLU 127 HG2 GLU 127 13.862 -14.785 -14.785
974 2HG GLU 127 HG3 GLU 127 14.899 -15.389 -15.389
Start of MODEL 36
1 H CYS 1 HN CYS 1 -12.607 -10.479 -10.479
2 HA CYS 1 HA CYS 1 -10.570 -12.399 -12.399
3 1HB CYS 1 HB2 CYS 1 -9.083 -10.313 -10.313
4 2HB CYS 1 HB3 CYS 1 -10.073 -10.428 -10.428
5 H SER 2 HN SER 2 -8.442 -12.016 -12.016
6 HA SER 2 HA SER 2 -8.557 -11.298 -11.298
7 1HB SER 2 HB2 SER 2 -8.908 -13.874 -13.874
8 2HB SER 2 HB3 SER 2 -10.129 -12.618 -12.618
9 HG SER 2 HG SER 2 -11.293 -13.952 -13.952
10 H CYS 3 HN CYS 3 -6.680 -11.539 -11.539
11 HA CYS 3 HA CYS 3 -5.102 -13.843 -13.843
12 1HB CYS 3 HB2 CYS 3 -5.200 -11.729 -11.729
13 2HB CYS 3 HB3 CYS 3 -3.787 -11.297 -11.297
14 H SER 4 HN SER 4 -2.523 -13.228 -13.228
15 HA SER 4 HA SER 4 -2.595 -11.888 -11.888
16 1HB SER 4 HB2 SER 4 -1.237 -13.674 -13.674
17 2HB SER 4 HB3 SER 4 -2.759 -14.318 -14.318
18 HG SER 4 HG SER 4 -1.731 -15.289 -15.289
19 HA PRO 5 HA PRO 5 0.989 -10.139 -10.139
20 1HB PRO 5 HB2 PRO 5 1.728 -8.511 -8.511
21 2HB PRO 5 HB3 PRO 5 0.512 -8.068 -8.068
22 1HG PRO 5 HG2 PRO 5 0.144 -8.932 -8.932
23 2HG PRO 5 HG3 PRO 5 -0.983 -8.092 -8.092
24 1HD PRO 5 HD2 PRO 5 -1.037 -10.873 -10.873
25 2HD PRO 5 HD3 PRO 5 -2.093 -10.057 -10.057
26 H VAL 6 HN VAL 6 2.953 -10.941 -10.941
27 HA VAL 6 HA VAL 6 4.456 -11.792 -11.792
28 HB VAL 6 HB VAL 6 3.057 -13.724 -13.724
29 1HG1 VAL 6 HG13 VAL 6 4.088 -12.947 -12.947
30 2HG1 VAL 6 HG11 VAL 6 4.572 -14.622 -14.622
31 3HG1 VAL 6 HG12 VAL 6 2.852 -14.164 -14.164
32 1HG2 VAL 6 HG23 VAL 6 5.992 -13.663 -13.663
33 2HG2 VAL 6 HG21 VAL 6 4.768 -14.637 -14.637
34 3HG2 VAL 6 HG22 VAL 6 5.353 -15.144 -15.144
35 H HIS 7 HN HIS 7 5.985 -13.354 -13.354
36 HA HIS 7 HA HIS 7 7.997 -12.829 -12.829
37 1HB HIS 7 HB2 HIS 7 7.445 -11.104 -11.104
38 2HB HIS 7 HB3 HIS 7 7.121 -12.826 -12.826
39 HD1 HIS 7 HD1 HIS 7 4.813 -13.361 -13.361
40 HD2 HIS 7 HD2 HIS 7 4.983 -9.682 -9.682
41 HE1 HIS 7 HE1 HIS 7 2.448 -12.405 -12.405
42 HA PRO 8 HA PRO 8 8.932 -9.055 -9.055
43 1HB PRO 8 HB2 PRO 8 11.210 -9.954 -9.954
44 2HB PRO 8 HB3 PRO 8 9.625 -10.064 -10.064
45 1HG PRO 8 HG2 PRO 8 11.247 -12.203 -12.203
46 2HG PRO 8 HG3 PRO 8 9.889 -12.352 -12.352
47 1HD PRO 8 HD2 PRO 8 9.858 -12.783 -12.783
48 2HD PRO 8 HD3 PRO 8 8.479 -12.817 -12.817
49 H GLN 9 HN GLN 9 10.032 -10.526 -10.526
50 HA GLN 9 HA GLN 9 11.813 -8.293 -8.293
51 1HB GLN 9 HB2 GLN 9 13.390 -9.994 -9.994
52 2HB GLN 9 HB3 GLN 9 12.558 -11.225 -11.225
53 1HG GLN 9 HG2 GLN 9 14.644 -10.373 -10.373
54 2HG GLN 9 HG3 GLN 9 13.206 -10.186 -10.186
55 1HE2 GLN 9 HE22 GLN 9 14.356 -6.765 -6.765
56 2HE2 GLN 9 HE21 GLN 9 14.158 -8.288 -8.288
57 H GLN 10 HN GLN 10 10.093 -11.196 -11.196
58 HA GLN 10 HA GLN 10 10.247 -10.411 -10.411
59 1HB GLN 10 HB2 GLN 10 7.935 -12.029 -12.029
60 2HB GLN 10 HB3 GLN 10 8.763 -12.205 -12.205
61 1HG GLN 10 HG2 GLN 10 10.882 -12.727 -12.727
62 2HG GLN 10 HG3 GLN 10 9.688 -13.055 -13.055
63 1HE2 GLN 10 HE22 GLN 10 8.930 -16.230 -16.230
64 2HE2 GLN 10 HE21 GLN 10 8.957 -15.028 -15.028
65 H ALA 11 HN ALA 11 8.727 -8.862 -8.862
66 HA ALA 11 HA ALA 11 6.348 -8.064 -8.064
67 1HB ALA 11 HB1 ALA 11 7.460 -7.895 -7.895
68 2HB ALA 11 HB2 ALA 11 6.597 -6.426 -6.426
69 3HB ALA 11 HB3 ALA 11 5.768 -8.001 -8.001
70 H PHE 12 HN PHE 12 9.604 -6.796 -6.796
71 HA PHE 12 HA PHE 12 8.969 -4.246 -4.246
72 1HB PHE 12 HB2 PHE 12 11.483 -5.572 -5.572
73 2HB PHE 12 HB3 PHE 12 11.464 -3.912 -3.912
74 HD1 PHE 12 HD1 PHE 12 9.109 -5.925 -5.925
75 HD2 PHE 12 HD2 PHE 12 11.543 -2.463 -2.463
76 HE1 PHE 12 HE1 PHE 12 8.324 -5.168 -5.168
77 HE2 PHE 12 HE2 PHE 12 10.758 -1.706 -1.706
78 HZ PHE 12 HZ PHE 12 9.158 -3.067 -3.067
79 H CYS 13 HN CYS 13 9.506 -7.223 -7.223
80 HA CYS 13 HA CYS 13 11.212 -6.153 -6.153
81 1HB CYS 13 HB2 CYS 13 10.993 -8.836 -8.836
82 2HB CYS 13 HB3 CYS 13 11.246 -8.800 -8.800
83 H ASN 14 HN ASN 14 8.045 -7.120 -7.120
84 HA ASN 14 HA ASN 14 7.267 -7.787 -7.787
85 1HB ASN 14 HB2 ASN 14 6.363 -8.530 -8.530
86 2HB ASN 14 HB3 ASN 14 5.045 -7.640 -7.640
87 1HD2 ASN 14 HD22 ASN 14 5.972 -11.427 -11.427
88 2HD2 ASN 14 HD21 ASN 14 6.745 -10.560 -10.560
89 H ALA 15 HN ALA 15 6.869 -5.354 -5.354
90 HA ALA 15 HA ALA 15 4.768 -3.886 -3.886
91 1HB ALA 15 HB2 ALA 15 7.247 -3.038 -3.038
92 2HB ALA 15 HB3 ALA 15 5.810 -2.014 -2.014
93 3HB ALA 15 HB1 ALA 15 5.677 -3.539 -3.539
94 H ASP 16 HN ASP 16 5.116 -1.478 -1.478
95 HA ASP 16 HA ASP 16 7.292 -1.351 -1.351
96 1HB ASP 16 HB2 ASP 16 4.406 -1.707 -1.707
97 2HB ASP 16 HB3 ASP 16 5.280 -0.496 -0.496
98 H VAL 17 HN VAL 17 5.824 -0.029 -0.029
99 HA VAL 17 HA VAL 17 6.476 2.635 2.635
100 HB VAL 17 HB VAL 17 4.349 2.490 2.490
101 1HG1 VAL 17 HG13 VAL 17 3.532 1.005 1.005
102 2HG1 VAL 17 HG11 VAL 17 2.467 2.419 2.419
103 3HG1 VAL 17 HG12 VAL 17 2.658 1.270 1.270
104 1HG2 VAL 17 HG23 VAL 17 5.154 4.552 4.552
105 2HG2 VAL 17 HG21 VAL 17 3.502 4.529 4.529
106 3HG2 VAL 17 HG22 VAL 17 3.778 4.153 4.153
107 H VAL 18 HN VAL 18 7.799 2.446 2.446
108 HA VAL 18 HA VAL 18 6.388 1.919 1.919
109 HB VAL 18 HB VAL 18 9.334 2.249 2.249
110 1HG1 VAL 18 HG11 VAL 18 7.315 1.006 1.006
111 2HG1 VAL 18 HG12 VAL 18 8.610 -0.144 -0.144
112 3HG1 VAL 18 HG13 VAL 18 9.010 1.407 1.407
113 1HG2 VAL 18 HG21 VAL 18 8.863 1.003 1.003
114 2HG2 VAL 18 HG22 VAL 18 9.723 0.012 0.012
115 3HG2 VAL 18 HG23 VAL 18 7.976 -0.217 -0.217
116 H ILE 19 HN ILE 19 5.731 3.626 3.626
117 HA ILE 19 HA ILE 19 7.427 5.981 5.981
118 HB ILE 19 HB ILE 19 5.669 7.509 7.509
119 1HG1 ILE 19 HG12 ILE 19 3.944 5.077 5.077
120 2HG1 ILE 19 HG13 ILE 19 3.650 6.694 6.694
121 1HG2 ILE 19 HG21 ILE 19 7.060 6.342 6.342
122 2HG2 ILE 19 HG22 ILE 19 5.563 5.460 5.460
123 3HG2 ILE 19 HG23 ILE 19 5.603 7.236 7.236
124 1HD1 ILE 19 HD12 ILE 19 3.593 7.420 7.420
125 2HD1 ILE 19 HD13 ILE 19 3.417 5.682 5.682
126 3HD1 ILE 19 HD11 ILE 19 2.197 6.523 6.523
127 H ARG 20 HN ARG 20 7.654 6.659 6.659
128 HA ARG 20 HA ARG 20 6.164 5.294 5.294
129 1HB ARG 20 HB2 ARG 20 8.621 6.018 6.018
130 2HB ARG 20 HB3 ARG 20 8.060 7.666 7.666
131 1HG ARG 20 HG2 ARG 20 6.573 5.992 5.992
132 2HG ARG 20 HG3 ARG 20 8.274 5.610 5.610
133 1HD ARG 20 HD2 ARG 20 7.031 8.397 8.397
134 2HD ARG 20 HD3 ARG 20 7.654 7.459 7.459
135 HE ARG 20 HE ARG 20 9.605 7.930 7.930
136 1HH1 ARG 20 HH22 ARG 20 8.276 9.099 9.099
137 2HH1 ARG 20 HH21 ARG 20 9.669 10.051 10.051
138 1HH2 ARG 20 HH12 ARG 20 11.444 9.185 9.185
139 2HH2 ARG 20 HH11 ARG 20 11.483 10.100 10.100
140 H THR 21 HN THR 21 4.431 6.827 6.827
141 HA THR 21 HA THR 21 3.847 9.376 9.376
142 HB THR 21 HB THR 21 3.107 8.648 8.648
143 HG1 THR 21 HG1 THR 21 1.698 10.010 10.010
144 1HG2 THR 21 HG21 THR 21 2.754 6.162 6.162
145 2HG2 THR 21 HG22 THR 21 1.152 6.731 6.731
146 3HG2 THR 21 HG23 THR 21 1.610 6.830 6.830
147 H LYS 22 HN LYS 22 1.696 9.958 9.958
148 HA LYS 22 HA LYS 22 1.172 8.015 8.015
149 1HB LYS 22 HB2 LYS 22 0.943 9.839 9.839
150 2HB LYS 22 HB3 LYS 22 2.518 9.924 9.924
151 1HG LYS 22 HG2 LYS 22 1.778 11.704 11.704
152 2HG LYS 22 HG3 LYS 22 0.111 11.514 11.514
153 1HD LYS 22 HD2 LYS 22 2.437 12.659 12.659
154 2HD LYS 22 HD3 LYS 22 0.897 13.410 13.410
155 1HE LYS 22 HE2 LYS 22 -0.152 11.451 11.451
156 2HE LYS 22 HE3 LYS 22 1.476 11.194 11.194
157 1HZ LYS 22 HZ1 LYS 22 1.399 13.688 13.688
158 2HZ LYS 22 HZ2 LYS 22 -0.223 13.537 13.537
159 3HZ LYS 22 HZ3 LYS 22 0.595 12.688 12.688
160 H ALA 23 HN ALA 23 -0.874 7.263 7.263
161 HA ALA 23 HA ALA 23 -2.826 8.702 8.702
162 1HB ALA 23 HB1 ALA 23 -2.499 6.306 6.306
163 2HB ALA 23 HB2 ALA 23 -2.846 5.943 5.943
164 3HB ALA 23 HB3 ALA 23 -4.126 6.598 6.598
165 H VAL 24 HN VAL 24 -3.791 10.354 10.354
166 HA VAL 24 HA VAL 24 -4.590 9.778 9.778
167 HB VAL 24 HB VAL 24 -4.781 12.319 12.319
168 1HG1 VAL 24 HG11 VAL 24 -2.336 10.639 10.639
169 2HG1 VAL 24 HG12 VAL 24 -2.071 12.399 12.399
170 3HG1 VAL 24 HG13 VAL 24 -3.008 11.684 11.684
171 1HG2 VAL 24 HG23 VAL 24 -4.699 12.585 12.585
172 2HG2 VAL 24 HG21 VAL 24 -3.586 13.634 13.634
173 3HG2 VAL 24 HG22 VAL 24 -2.967 12.184 12.184
174 H SER 25 HN SER 25 -5.620 10.809 10.809
175 HA SER 25 HA SER 25 -8.357 10.743 10.743
176 1HB SER 25 HB2 SER 25 -8.200 12.915 12.915
177 2HB SER 25 HB3 SER 25 -6.977 12.510 12.510
178 HG SER 25 HG SER 25 -9.211 13.028 13.028
179 H GLU 26 HN GLU 26 -9.984 10.074 10.074
180 HA GLU 26 HA GLU 26 -8.793 8.345 8.345
181 1HB GLU 26 HB2 GLU 26 -10.454 7.333 7.333
182 2HB GLU 26 HB3 GLU 26 -10.476 6.482 6.482
183 1HG GLU 26 HG2 GLU 26 -8.576 5.428 5.428
184 2HG GLU 26 HG3 GLU 26 -7.737 6.954 6.954
185 H LYS 27 HN LYS 27 -10.896 7.118 7.118
186 HA LYS 27 HA LYS 27 -13.145 8.940 8.940
187 1HB LYS 27 HB2 LYS 27 -11.585 9.955 9.955
188 2HB LYS 27 HB3 LYS 27 -11.401 8.430 8.430
189 1HG LYS 27 HG2 LYS 27 -13.551 8.514 8.514
190 2HG LYS 27 HG3 LYS 27 -14.199 9.487 9.487
191 1HD LYS 27 HD2 LYS 27 -13.827 10.651 10.651
192 2HD LYS 27 HD3 LYS 27 -13.285 11.499 11.499
193 1HE LYS 27 HE2 LYS 27 -10.982 10.913 10.913
194 2HE LYS 27 HE3 LYS 27 -11.405 9.674 9.674
195 1HZ LYS 27 HZ1 LYS 27 -12.423 11.623 11.623
196 2HZ LYS 27 HZ2 LYS 27 -11.480 12.568 12.568
197 3HZ LYS 27 HZ3 LYS 27 -10.800 11.439 11.439
198 H GLU 28 HN GLU 28 -14.843 7.607 7.607
199 HA GLU 28 HA GLU 28 -14.584 4.857 4.857
200 1HB GLU 28 HB2 GLU 28 -15.906 5.489 5.489
201 2HB GLU 28 HB3 GLU 28 -16.886 6.592 6.592
202 1HG GLU 28 HG2 GLU 28 -17.410 4.349 4.349
203 2HG GLU 28 HG3 GLU 28 -16.981 3.581 3.581
204 H VAL 29 HN VAL 29 -14.253 4.593 4.593
205 HA VAL 29 HA VAL 29 -16.324 5.693 5.693
206 HB VAL 29 HB VAL 29 -14.732 4.887 4.887
207 1HG1 VAL 29 HG13 VAL 29 -14.821 7.232 7.232
208 2HG1 VAL 29 HG11 VAL 29 -13.106 6.779 6.779
209 3HG1 VAL 29 HG12 VAL 29 -13.849 6.958 6.958
210 1HG2 VAL 29 HG21 VAL 29 -13.550 3.439 3.439
211 2HG2 VAL 29 HG22 VAL 29 -12.747 3.904 3.904
212 3HG2 VAL 29 HG23 VAL 29 -12.487 4.867 4.867
213 H ASP 30 HN ASP 30 -18.105 4.348 4.348
214 HA ASP 30 HA ASP 30 -18.162 1.750 1.750
215 1HB ASP 30 HB2 ASP 30 -19.981 2.832 2.832
216 2HB ASP 30 HB3 ASP 30 -20.379 1.712 1.712
217 H SER 31 HN SER 31 -18.223 -0.250 -0.250
218 HA SER 31 HA SER 31 -17.362 0.083 0.083
219 1HB SER 31 HB2 SER 31 -15.281 -0.506 -0.506
220 2HB SER 31 HB3 SER 31 -15.930 -1.306 -1.306
221 HG SER 31 HG SER 31 -16.256 -2.424 -2.424
222 H GLY 32 HN GLY 32 -19.901 -0.670 -0.670
223 1HA GLY 32 HA1 GLY 32 -21.665 -2.026 -2.026
224 2HA GLY 32 HA2 GLY 32 -20.855 -2.670 -2.670
225 H ASN 33 HN ASN 33 -22.112 -4.640 -4.640
226 HA ASN 33 HA ASN 33 -20.732 -5.769 -5.769
227 1HB ASN 33 HB2 ASN 33 -22.728 -7.220 -7.220
228 2HB ASN 33 HB3 ASN 33 -22.409 -7.503 -7.503
229 1HD2 ASN 33 HD22 ASN 33 -25.344 -5.046 -5.046
230 2HD2 ASN 33 HD21 ASN 33 -24.522 -6.208 -6.208
231 H ASP 34 HN ASP 34 -19.982 -8.197 -8.197
232 HA ASP 34 HA ASP 34 -18.356 -8.300 -8.300
233 1HB ASP 34 HB2 ASP 34 -17.671 -8.746 -8.746
234 2HB ASP 34 HB3 ASP 34 -18.258 -10.361 -10.361
235 H ILE 35 HN ILE 35 -17.976 -11.211 -11.211
236 HA ILE 35 HA ILE 35 -20.388 -11.968 -11.968
237 HB ILE 35 HB ILE 35 -17.811 -13.462 -13.462
238 1HG1 ILE 35 HG12 ILE 35 -17.445 -12.877 -12.877
239 2HG1 ILE 35 HG13 ILE 35 -18.732 -11.702 -11.702
240 1HG2 ILE 35 HG22 ILE 35 -20.340 -14.182 -14.182
241 2HG2 ILE 35 HG23 ILE 35 -18.829 -14.583 -14.583
242 3HG2 ILE 35 HG21 ILE 35 -19.120 -15.209 -15.209
243 1HD1 ILE 35 HD13 ILE 35 -16.489 -11.715 -11.715
244 2HD1 ILE 35 HD11 ILE 35 -16.216 -10.987 -10.987
245 3HD1 ILE 35 HD12 ILE 35 -17.505 -10.359 -10.359
246 H TYR 36 HN TYR 36 -19.625 -11.741 -11.741
247 HA TYR 36 HA TYR 36 -20.998 -14.247 -14.247
248 1HB TYR 36 HB2 TYR 36 -18.609 -13.230 -13.230
249 2HB TYR 36 HB3 TYR 36 -19.651 -12.317 -12.317
250 HD1 TYR 36 HD1 TYR 36 -19.762 -15.880 -15.880
251 HD2 TYR 36 HD2 TYR 36 -19.513 -13.204 -13.204
252 HE1 TYR 36 HE1 TYR 36 -19.851 -17.853 -17.853
253 HE2 TYR 36 HE2 TYR 36 -19.603 -15.186 -15.186
254 HH TYR 36 HH TYR 36 -18.853 -17.978 -17.978
255 H GLY 37 HN GLY 37 -21.682 -11.052 -11.052
256 1HA GLY 37 HA1 GLY 37 -23.713 -10.029 -10.029
257 2HA GLY 37 HA2 GLY 37 -24.115 -11.167 -11.167
258 H ASN 38 HN ASN 38 -21.051 -10.403 -10.403
259 HA ASN 38 HA ASN 38 -21.961 -8.614 -8.614
260 1HB ASN 38 HB2 ASN 38 -19.413 -8.616 -8.616
261 2HB ASN 38 HB3 ASN 38 -20.265 -10.141 -10.141
262 1HD2 ASN 38 HD22 ASN 38 -17.090 -10.764 -10.764
263 2HD2 ASN 38 HD21 ASN 38 -17.599 -10.180 -10.180
264 HA PRO 39 HA PRO 39 -20.679 -4.929 -4.929
265 1HB PRO 39 HB2 PRO 39 -20.176 -3.269 -3.269
266 2HB PRO 39 HB3 PRO 39 -21.791 -3.604 -3.604
267 1HG PRO 39 HG2 PRO 39 -20.460 -4.625 -4.625
268 2HG PRO 39 HG3 PRO 39 -22.169 -4.597 -4.597
269 1HD PRO 39 HD2 PRO 39 -20.422 -6.870 -6.870
270 2HD PRO 39 HD3 PRO 39 -22.102 -6.814 -6.814
271 H ILE 40 HN ILE 40 -18.956 -4.297 -4.297
272 HA ILE 40 HA ILE 40 -16.450 -5.327 -5.327
273 HB ILE 40 HB ILE 40 -17.263 -3.471 -3.471
274 1HG1 ILE 40 HG12 ILE 40 -16.689 -6.445 -6.445
275 2HG1 ILE 40 HG13 ILE 40 -18.237 -5.680 -5.680
276 1HG2 ILE 40 HG22 ILE 40 -14.579 -4.629 -4.629
277 2HG2 ILE 40 HG23 ILE 40 -14.992 -4.218 -4.218
278 3HG2 ILE 40 HG21 ILE 40 -15.006 -2.954 -2.954
279 1HD1 ILE 40 HD12 ILE 40 -16.755 -4.449 -4.449
280 2HD1 ILE 40 HD13 ILE 40 -15.886 -5.998 -5.998
281 3HD1 ILE 40 HD11 ILE 40 -17.624 -5.980 -5.980
282 H LYS 41 HN LYS 41 -17.015 -1.902 -1.902
283 HA LYS 41 HA LYS 41 -16.436 0.010 0.010
284 1HB LYS 41 HB2 LYS 41 -17.772 -0.818 -0.818
285 2HB LYS 41 HB3 LYS 41 -16.322 -1.513 -1.513
286 1HG LYS 41 HG2 LYS 41 -16.787 0.716 0.716
287 2HG LYS 41 HG3 LYS 41 -15.261 0.723 0.723
288 1HD LYS 41 HD2 LYS 41 -16.325 2.717 2.717
289 2HD LYS 41 HD3 LYS 41 -16.600 1.598 1.598
290 1HE LYS 41 HE2 LYS 41 -18.605 2.083 2.083
291 2HE LYS 41 HE3 LYS 41 -18.658 2.913 2.913
292 1HZ LYS 41 HZ2 LYS 41 -18.476 0.350 0.350
293 2HZ LYS 41 HZ3 LYS 41 -19.380 0.228 0.228
294 3HZ LYS 41 HZ1 LYS 41 -19.878 1.179 1.179
295 H ARG 42 HN ARG 42 -14.525 0.991 0.991
296 HA ARG 42 HA ARG 42 -12.164 -0.426 -0.426
297 1HB ARG 42 HB2 ARG 42 -11.271 0.951 0.951
298 2HB ARG 42 HB3 ARG 42 -11.647 -0.760 -0.760
299 1HG ARG 42 HG2 ARG 42 -14.064 -0.164 -0.164
300 2HG ARG 42 HG3 ARG 42 -13.547 1.495 1.495
301 1HD ARG 42 HD2 ARG 42 -11.770 0.524 0.524
302 2HD ARG 42 HD3 ARG 42 -12.719 -0.949 -0.949
303 HE ARG 42 HE ARG 42 -14.439 1.319 1.319
304 1HH1 ARG 42 HH22 ARG 42 -12.074 -0.751 -0.751
305 2HH1 ARG 42 HH21 ARG 42 -12.724 -0.497 -0.497
306 1HH2 ARG 42 HH12 ARG 42 -15.297 1.654 1.654
307 2HH2 ARG 42 HH11 ARG 42 -14.569 0.880 0.880
308 H ILE 43 HN ILE 43 -12.657 1.204 1.204
309 HA ILE 43 HA ILE 43 -12.692 3.887 3.887
310 HB ILE 43 HB ILE 43 -11.949 1.919 1.919
311 1HG1 ILE 43 HG12 ILE 43 -13.049 3.711 3.711
312 2HG1 ILE 43 HG13 ILE 43 -13.337 4.604 4.604
313 1HG2 ILE 43 HG22 ILE 43 -10.435 4.528 4.528
314 2HG2 ILE 43 HG23 ILE 43 -10.778 3.656 3.656
315 3HG2 ILE 43 HG21 ILE 43 -9.816 2.877 2.877
316 1HD1 ILE 43 HD13 ILE 43 -14.098 1.770 1.770
317 2HD1 ILE 43 HD11 ILE 43 -14.979 2.600 2.600
318 3HD1 ILE 43 HD12 ILE 43 -15.044 3.235 3.235
319 H GLN 44 HN GLN 44 -11.222 5.602 5.602
320 HA GLN 44 HA GLN 44 -8.880 4.848 4.848
321 1HB GLN 44 HB2 GLN 44 -10.153 7.538 7.538
322 2HB GLN 44 HB3 GLN 44 -8.664 7.387 7.387
323 1HG GLN 44 HG2 GLN 44 -11.444 6.439 6.439
324 2HG GLN 44 HG3 GLN 44 -10.372 7.499 7.499
325 1HE2 GLN 44 HE22 GLN 44 -9.963 3.390 3.390
326 2HE2 GLN 44 HE21 GLN 44 -10.898 4.202 4.202
327 H TYR 45 HN TYR 45 -6.967 6.723 6.723
328 HA TYR 45 HA TYR 45 -6.548 6.634 6.634
329 1HB TYR 45 HB2 TYR 45 -5.093 5.309 5.309
330 2HB TYR 45 HB3 TYR 45 -4.040 6.156 6.156
331 HD1 TYR 45 HD2 TYR 45 -5.710 5.624 5.624
332 HD2 TYR 45 HD1 TYR 45 -4.393 3.078 3.078
333 HE1 TYR 45 HE2 TYR 45 -5.771 3.623 3.623
334 HE2 TYR 45 HE1 TYR 45 -4.459 1.086 1.086
335 HH TYR 45 HH TYR 45 -5.019 1.519 1.519
336 H GLU 46 HN GLU 46 -7.281 8.961 8.961
337 HA GLU 46 HA GLU 46 -5.635 10.581 10.581
338 1HB GLU 46 HB2 GLU 46 -8.053 10.925 10.925
339 2HB GLU 46 HB3 GLU 46 -7.130 11.693 11.693
340 1HG GLU 46 HG2 GLU 46 -6.119 13.267 13.267
341 2HG GLU 46 HG3 GLU 46 -6.845 12.429 12.429
342 H ILE 47 HN ILE 47 -3.523 9.572 9.572
343 HA ILE 47 HA ILE 47 -2.684 10.192 10.192
344 HB ILE 47 HB ILE 47 -0.470 9.535 9.535
345 1HG1 ILE 47 HG12 ILE 47 -1.821 9.734 9.734
346 2HG1 ILE 47 HG13 ILE 47 -0.271 10.372 10.372
347 1HG2 ILE 47 HG23 ILE 47 -2.815 7.962 7.962
348 2HG2 ILE 47 HG21 ILE 47 -1.873 7.355 7.355
349 3HG2 ILE 47 HG22 ILE 47 -1.125 7.452 7.452
350 1HD1 ILE 47 HD11 ILE 47 -0.145 7.538 7.538
351 2HD1 ILE 47 HD12 ILE 47 -0.849 7.819 7.819
352 3HD1 ILE 47 HD13 ILE 47 0.735 8.517 8.517
353 H LYS 48 HN LYS 48 -0.220 11.416 11.416
354 HA LYS 48 HA LYS 48 -0.871 14.038 14.038
355 1HB LYS 48 HB2 LYS 48 -1.032 13.656 13.656
356 2HB LYS 48 HB3 LYS 48 0.711 13.814 13.814
357 1HG LYS 48 HG2 LYS 48 0.610 16.033 16.033
358 2HG LYS 48 HG3 LYS 48 -1.032 15.845 15.845
359 1HD LYS 48 HD2 LYS 48 -0.660 17.232 17.232
360 2HD LYS 48 HD3 LYS 48 -1.975 16.073 16.073
361 1HE LYS 48 HE2 LYS 48 -0.752 14.478 14.478
362 2HE LYS 48 HE3 LYS 48 0.782 15.265 15.265
363 1HZ LYS 48 HZ2 LYS 48 -0.268 17.224 17.224
364 2HZ LYS 48 HZ3 LYS 48 -1.379 16.162 16.162
365 3HZ LYS 48 HZ1 LYS 48 0.199 15.949 15.949
366 H GLN 49 HN GLN 49 0.848 11.426 11.426
367 HA GLN 49 HA GLN 49 2.924 10.942 10.942
368 1HB GLN 49 HB2 GLN 49 2.194 13.433 13.433
369 2HB GLN 49 HB3 GLN 49 3.691 12.581 12.581
370 1HG GLN 49 HG2 GLN 49 1.047 11.084 11.084
371 2HG GLN 49 HG3 GLN 49 1.550 11.923 11.923
372 1HE2 GLN 49 HE22 GLN 49 4.644 9.907 9.907
373 2HE2 GLN 49 HE21 GLN 49 4.216 11.577 11.577
374 H ILE 50 HN ILE 50 4.489 11.010 11.010
375 HA ILE 50 HA ILE 50 5.645 13.651 13.651
376 HB ILE 50 HB ILE 50 5.626 13.186 13.186
377 1HG1 ILE 50 HG12 ILE 50 6.834 10.570 10.570
378 2HG1 ILE 50 HG13 ILE 50 7.525 11.861 11.861
379 1HG2 ILE 50 HG22 ILE 50 3.393 12.238 12.238
380 2HG2 ILE 50 HG23 ILE 50 4.084 10.651 10.651
381 3HG2 ILE 50 HG21 ILE 50 3.866 11.886 11.886
382 1HD1 ILE 50 HD12 ILE 50 5.648 11.289 11.289
383 2HD1 ILE 50 HD13 ILE 50 5.499 9.765 9.765
384 3HD1 ILE 50 HD11 ILE 50 7.045 10.193 10.193
385 H LYS 51 HN LYS 51 6.200 10.279 10.279
386 HA LYS 51 HA LYS 51 8.853 11.093 11.093
387 1HB LYS 51 HB2 LYS 51 8.488 9.580 9.580
388 2HB LYS 51 HB3 LYS 51 8.950 8.414 8.414
389 1HG LYS 51 HG2 LYS 51 10.697 10.492 10.492
390 2HG LYS 51 HG3 LYS 51 10.532 10.640 10.640
391 1HD LYS 51 HD2 LYS 51 11.541 8.590 8.590
392 2HD LYS 51 HD3 LYS 51 10.922 7.857 7.857
393 1HE LYS 51 HE2 LYS 51 12.590 8.969 8.969
394 2HE LYS 51 HE3 LYS 51 13.068 10.023 10.023
395 1HZ LYS 51 HZ3 LYS 51 13.269 7.288 7.288
396 2HZ LYS 51 HZ1 LYS 51 14.179 7.639 7.639
397 3HZ LYS 51 HZ2 LYS 51 14.399 8.464 8.464
398 H MET 52 HN MET 52 9.753 9.525 9.525
399 HA MET 52 HA MET 52 7.703 7.847 7.847
400 1HB MET 52 HB2 MET 52 7.543 10.065 10.065
401 2HB MET 52 HB3 MET 52 9.262 10.032 10.032
402 1HG MET 52 HG2 MET 52 9.014 8.105 8.105
403 2HG MET 52 HG3 MET 52 7.346 7.873 7.873
404 1HE MET 52 HE2 MET 52 5.580 8.664 8.664
405 2HE MET 52 HE3 MET 52 5.410 10.436 10.436
406 3HE MET 52 HE1 MET 52 5.365 9.544 9.544
407 H PHE 53 HN PHE 53 9.370 6.383 6.383
408 HA PHE 53 HA PHE 53 11.949 6.073 6.073
409 1HB PHE 53 HB2 PHE 53 9.593 4.151 4.151
410 2HB PHE 53 HB3 PHE 53 11.185 3.480 3.480
411 HD1 PHE 53 HD2 PHE 53 13.025 4.839 4.839
412 HD2 PHE 53 HD1 PHE 53 8.962 3.984 3.984
413 HE1 PHE 53 HE2 PHE 53 13.530 4.955 4.955
414 HE2 PHE 53 HE1 PHE 53 9.467 4.100 4.100
415 HZ PHE 53 HZ PHE 53 11.745 4.585 4.585
416 H LYS 54 HN LYS 54 9.753 3.823 3.823
417 HA LYS 54 HA LYS 54 11.241 4.483 4.483
418 1HB LYS 54 HB2 LYS 54 12.147 2.418 2.418
419 2HB LYS 54 HB3 LYS 54 10.589 1.786 1.786
420 1HG LYS 54 HG2 LYS 54 11.490 0.912 0.912
421 2HG LYS 54 HG3 LYS 54 9.845 1.512 1.512
422 1HD LYS 54 HD2 LYS 54 11.857 3.623 3.623
423 2HD LYS 54 HD3 LYS 54 11.892 2.330 2.330
424 1HE LYS 54 HE2 LYS 54 9.138 2.836 2.836
425 2HE LYS 54 HE3 LYS 54 9.871 4.428 4.428
426 1HZ LYS 54 HZ3 LYS 54 11.100 3.135 3.135
427 2HZ LYS 54 HZ1 LYS 54 9.549 2.640 2.640
428 3HZ LYS 54 HZ2 LYS 54 9.901 4.234 4.234
429 H GLY 55 HN GLY 55 9.433 6.028 6.028
430 1HA GLY 55 HA1 GLY 55 7.026 4.614 4.614
431 2HA GLY 55 HA2 GLY 55 6.962 6.147 6.147
432 HA PRO 56 HA PRO 56 7.271 7.151 7.151
433 1HB PRO 56 HB2 PRO 56 5.123 8.834 8.834
434 2HB PRO 56 HB3 PRO 56 5.029 7.129 7.129
435 1HG PRO 56 HG2 PRO 56 4.065 8.535 8.535
436 2HG PRO 56 HG3 PRO 56 3.618 6.950 6.950
437 1HD PRO 56 HD2 PRO 56 5.383 7.522 7.522
438 2HD PRO 56 HD3 PRO 56 5.027 5.945 5.945
439 H GLU 57 HN GLU 57 6.787 9.677 9.677
440 HA GLU 57 HA GLU 57 8.770 11.065 11.065
441 1HB GLU 57 HB2 GLU 57 7.866 12.091 12.091
442 2HB GLU 57 HB3 GLU 57 9.458 12.145 12.145
443 1HG GLU 57 HG2 GLU 57 9.512 9.570 9.570
444 2HG GLU 57 HG3 GLU 57 8.082 9.731 9.731
445 H LYS 58 HN LYS 58 5.433 11.253 11.253
446 HA LYS 58 HA LYS 58 5.060 13.971 13.971
447 1HB LYS 58 HB2 LYS 58 3.809 12.419 12.419
448 2HB LYS 58 HB3 LYS 58 2.787 12.054 12.054
449 1HG LYS 58 HG2 LYS 58 1.721 14.041 14.041
450 2HG LYS 58 HG3 LYS 58 3.233 14.906 14.906
451 1HD LYS 58 HD2 LYS 58 2.552 13.624 13.624
452 2HD LYS 58 HD3 LYS 58 1.838 15.166 15.166
453 1HE LYS 58 HE2 LYS 58 4.500 15.598 15.598
454 2HE LYS 58 HE3 LYS 58 4.652 14.521 14.521
455 1HZ LYS 58 HZ1 LYS 58 2.872 16.129 16.129
456 2HZ LYS 58 HZ2 LYS 58 3.506 17.177 17.177
457 3HZ LYS 58 HZ3 LYS 58 4.460 16.504 16.504
458 H ASP 59 HN ASP 59 3.184 11.135 11.135
459 HA ASP 59 HA ASP 59 3.897 10.839 10.839
460 1HB ASP 59 HB2 ASP 59 4.029 13.188 13.188
461 2HB ASP 59 HB3 ASP 59 2.463 13.519 13.519
462 H ILE 60 HN ILE 60 1.964 10.236 10.236
463 HA ILE 60 HA ILE 60 -0.330 9.518 9.518
464 HB ILE 60 HB ILE 60 0.271 8.188 8.188
465 1HG1 ILE 60 HG12 ILE 60 2.423 8.366 8.366
466 2HG1 ILE 60 HG13 ILE 60 1.918 6.764 6.764
467 1HG2 ILE 60 HG23 ILE 60 -1.803 7.790 7.790
468 2HG2 ILE 60 HG21 ILE 60 -0.717 6.993 6.993
469 3HG2 ILE 60 HG22 ILE 60 -0.869 6.355 6.355
470 1HD1 ILE 60 HD12 ILE 60 1.220 7.942 7.942
471 2HD1 ILE 60 HD13 ILE 60 2.664 6.945 6.945
472 3HD1 ILE 60 HD11 ILE 60 1.042 6.250 6.250
473 H GLU 61 HN GLU 61 0.091 9.758 9.758
474 HA GLU 61 HA GLU 61 -0.891 11.010 11.010
475 1HB GLU 61 HB2 GLU 61 -1.116 12.695 12.695
476 2HB GLU 61 HB3 GLU 61 -2.533 12.893 12.893
477 1HG GLU 61 HG2 GLU 61 -1.355 13.937 13.937
478 2HG GLU 61 HG3 GLU 61 -0.014 12.814 12.814
479 H PHE 62 HN PHE 62 -2.446 9.234 9.234
480 HA PHE 62 HA PHE 62 -4.782 8.941 8.941
481 1HB PHE 62 HB2 PHE 62 -4.594 10.184 10.184
482 2HB PHE 62 HB3 PHE 62 -5.700 8.824 8.824
483 HD1 PHE 62 HD1 PHE 62 -7.397 8.827 8.827
484 HD2 PHE 62 HD2 PHE 62 -5.463 12.259 12.259
485 HE1 PHE 62 HE1 PHE 62 -9.195 10.285 10.285
486 HE2 PHE 62 HE2 PHE 62 -7.262 13.718 13.718
487 HZ PHE 62 HZ PHE 62 -9.106 12.713 12.713
488 H ILE 63 HN ILE 63 -4.147 6.841 6.841
489 HA ILE 63 HA ILE 63 -3.628 4.989 4.989
490 HB ILE 63 HB ILE 63 -3.394 4.263 4.263
491 1HG1 ILE 63 HG12 ILE 63 -2.254 6.602 6.602
492 2HG1 ILE 63 HG13 ILE 63 -1.630 5.565 5.565
493 1HG2 ILE 63 HG23 ILE 63 -2.189 3.410 3.410
494 2HG2 ILE 63 HG21 ILE 63 -1.304 3.129 3.129
495 3HG2 ILE 63 HG22 ILE 63 -2.927 2.434 2.434
496 1HD1 ILE 63 HD11 ILE 63 -0.837 5.177 5.177
497 2HD1 ILE 63 HD12 ILE 63 0.039 6.283 6.283
498 3HD1 ILE 63 HD13 ILE 63 -0.027 4.543 4.543
499 H TYR 64 HN TYR 64 -4.588 2.673 2.673
500 HA TYR 64 HA TYR 64 -7.380 3.054 3.054
501 1HB TYR 64 HB2 TYR 64 -7.554 2.699 2.699
502 2HB TYR 64 HB3 TYR 64 -5.987 1.921 1.921
503 HD1 TYR 64 HD2 TYR 64 -5.893 -0.473 -0.473
504 HD2 TYR 64 HD1 TYR 64 -9.438 1.394 1.394
505 HE1 TYR 64 HE2 TYR 64 -7.035 -2.740 -2.740
506 HE2 TYR 64 HE1 TYR 64 -10.568 -0.880 -0.880
507 HH TYR 64 HH TYR 64 -10.419 -3.019 -3.019
508 H THR 65 HN THR 65 -8.428 1.199 1.199
509 HA THR 65 HA THR 65 -7.042 -1.222 -1.222
510 HB THR 65 HB THR 65 -5.665 0.232 0.232
511 HG1 THR 65 HG1 THR 65 -6.293 -1.050 -1.050
512 1HG2 THR 65 HG22 THR 65 -8.413 0.948 0.948
513 2HG2 THR 65 HG23 THR 65 -6.995 0.952 0.952
514 3HG2 THR 65 HG21 THR 65 -7.040 2.027 2.027
515 H ALA 66 HN ALA 66 -8.268 -1.954 -1.954
516 HA ALA 66 HA ALA 66 -11.068 -1.889 -1.889
517 1HB ALA 66 HB2 ALA 66 -9.240 -3.989 -3.989
518 2HB ALA 66 HB3 ALA 66 -10.732 -3.956 -3.956
519 3HB ALA 66 HB1 ALA 66 -10.825 -4.127 -4.127
520 HA PRO 67 HA PRO 67 -12.083 0.109 0.109
521 1HB PRO 67 HB2 PRO 67 -14.689 -0.639 -0.639
522 2HB PRO 67 HB3 PRO 67 -14.194 0.624 0.624
523 1HG PRO 67 HG2 PRO 67 -15.060 -2.138 -2.138
524 2HG PRO 67 HG3 PRO 67 -14.973 -0.755 -0.755
525 1HD PRO 67 HD2 PRO 67 -13.129 -2.949 -2.949
526 2HD PRO 67 HD3 PRO 67 -12.982 -1.510 -1.510
527 H SER 68 HN SER 68 -13.918 -0.643 -0.643
528 HA SER 68 HA SER 68 -13.853 -1.651 -1.651
529 1HB SER 68 HB2 SER 68 -13.503 -3.851 -3.851
530 2HB SER 68 HB3 SER 68 -13.064 -4.272 -4.272
531 HG SER 68 HG SER 68 -15.607 -3.490 -3.490
532 H SER 69 HN SER 69 -12.247 -3.589 -3.589
533 HA SER 69 HA SER 69 -9.917 -2.083 -2.083
534 1HB SER 69 HB2 SER 69 -11.254 -3.628 -3.628
535 2HB SER 69 HB3 SER 69 -10.332 -4.943 -4.943
536 HG SER 69 HG SER 69 -8.542 -4.293 -4.293
537 H ALA 70 HN ALA 70 -9.705 -2.466 -2.466
538 HA ALA 70 HA ALA 70 -8.396 -3.215 -3.215
539 1HB ALA 70 HB3 ALA 70 -6.812 -3.185 -3.185
540 2HB ALA 70 HB1 ALA 70 -6.451 -4.737 -4.737
541 3HB ALA 70 HB2 ALA 70 -6.241 -3.212 -3.212
542 H VAL 71 HN VAL 71 -9.617 -4.658 -4.658
543 HA VAL 71 HA VAL 71 -9.669 -7.414 -7.414
544 HB VAL 71 HB VAL 71 -11.778 -7.648 -7.648
545 1HG1 VAL 71 HG12 VAL 71 -11.456 -5.459 -5.459
546 2HG1 VAL 71 HG13 VAL 71 -12.095 -4.676 -4.676
547 3HG1 VAL 71 HG11 VAL 71 -13.045 -5.938 -5.938
548 1HG2 VAL 71 HG23 VAL 71 -10.844 -5.917 -5.917
549 2HG2 VAL 71 HG21 VAL 71 -11.794 -7.421 -7.421
550 3HG2 VAL 71 HG22 VAL 71 -12.586 -5.876 -5.876
551 H CYS 72 HN CYS 72 -8.723 -5.216 -5.216
552 HA CYS 72 HA CYS 72 -7.460 -7.497 -7.497
553 1HB CYS 72 HB2 CYS 72 -8.806 -5.328 -5.328
554 2HB CYS 72 HB3 CYS 72 -8.111 -6.830 -6.830
555 H GLY 73 HN GLY 73 -6.929 -4.969 -4.969
556 1HA GLY 73 HA1 GLY 73 -4.480 -4.202 -4.202
557 2HA GLY 73 HA2 GLY 73 -5.630 -2.918 -2.918
558 H VAL 74 HN VAL 74 -4.151 -1.871 -1.871
559 HA VAL 74 HA VAL 74 -3.821 -3.338 -3.338
560 HB VAL 74 HB VAL 74 -2.127 -1.123 -1.123
561 1HG1 VAL 74 HG12 VAL 74 -1.863 -2.748 -2.748
562 2HG1 VAL 74 HG13 VAL 74 -0.558 -1.752 -1.752
563 3HG1 VAL 74 HG11 VAL 74 -2.073 -0.987 -0.987
564 1HG2 VAL 74 HG21 VAL 74 -2.108 -3.573 -3.573
565 2HG2 VAL 74 HG22 VAL 74 -0.594 -2.679 -2.679
566 3HG2 VAL 74 HG23 VAL 74 -1.119 -3.911 -3.911
567 H SER 75 HN SER 75 -5.817 -1.209 -1.209
568 HA SER 75 HA SER 75 -6.778 0.729 0.729
569 1HB SER 75 HB2 SER 75 -8.422 0.315 0.315
570 2HB SER 75 HB3 SER 75 -8.127 -1.202 -1.202
571 HG SER 75 HG SER 75 -8.128 -1.549 -1.549
572 H LEU 76 HN LEU 76 -4.942 2.179 2.179
573 HA LEU 76 HA LEU 76 -4.134 2.522 2.522
574 1HB LEU 76 HB2 LEU 76 -2.695 3.974 3.974
575 2HB LEU 76 HB3 LEU 76 -2.093 3.142 3.142
576 HG LEU 76 HG LEU 76 -2.962 1.042 1.042
577 1HD1 LEU 76 HD13 LEU 76 -2.881 3.226 3.226
578 2HD1 LEU 76 HD11 LEU 76 -1.398 2.297 2.297
579 3HD1 LEU 76 HD12 LEU 76 -2.986 1.498 1.498
580 1HD2 LEU 76 HD22 LEU 76 -0.533 2.060 2.060
581 2HD2 LEU 76 HD23 LEU 76 -0.905 0.402 0.402
582 3HD2 LEU 76 HD21 LEU 76 -0.220 1.574 1.574
583 H ASP 77 HN ASP 77 -4.484 4.455 4.455
584 HA ASP 77 HA ASP 77 -5.913 6.457 6.457
585 1HB ASP 77 HB2 ASP 77 -6.986 6.945 6.945
586 2HB ASP 77 HB3 ASP 77 -7.649 5.694 5.694
587 H VAL 78 HN VAL 78 -3.104 5.676 5.676
588 HA VAL 78 HA VAL 78 -1.396 6.864 6.864
589 HB VAL 78 HB VAL 78 -3.118 8.933 8.933
590 1HG1 VAL 78 HG13 VAL 78 -1.293 9.541 9.541
591 2HG1 VAL 78 HG11 VAL 78 -1.334 10.669 10.669
592 3HG1 VAL 78 HG12 VAL 78 -2.827 10.307 10.307
593 1HG2 VAL 78 HG22 VAL 78 -0.682 7.595 7.595
594 2HG2 VAL 78 HG23 VAL 78 -1.512 8.824 8.824
595 3HG2 VAL 78 HG21 VAL 78 -0.287 9.319 9.319
596 H GLY 79 HN GLY 79 -4.503 8.397 8.397
597 1HA GLY 79 HA1 GLY 79 -3.692 9.233 9.233
598 2HA GLY 79 HA2 GLY 79 -5.317 8.732 8.732
599 H GLY 80 HN GLY 80 -3.807 5.990 5.990
600 1HA GLY 80 HA1 GLY 80 -3.861 4.933 4.933
601 2HA GLY 80 HA2 GLY 80 -4.466 4.073 4.073
602 H LYS 81 HN LYS 81 -2.221 5.103 5.103
603 HA LYS 81 HA LYS 81 -0.130 3.350 3.350
604 1HB LYS 81 HB2 LYS 81 0.198 3.689 3.689
605 2HB LYS 81 HB3 LYS 81 -0.217 2.233 2.233
606 1HG LYS 81 HG2 LYS 81 -2.267 4.340 4.340
607 2HG LYS 81 HG3 LYS 81 -1.900 2.922 2.922
608 1HD LYS 81 HD2 LYS 81 -2.924 1.458 1.458
609 2HD LYS 81 HD3 LYS 81 -2.548 2.444 2.444
610 1HE LYS 81 HE2 LYS 81 -4.750 3.056 3.056
611 2HE LYS 81 HE3 LYS 81 -4.248 4.135 4.135
612 1HZ LYS 81 HZ2 LYS 81 -4.605 1.650 1.650
613 2HZ LYS 81 HZ3 LYS 81 -5.901 1.897 1.897
614 3HZ LYS 81 HZ1 LYS 81 -5.534 2.978 2.978
615 H LYS 82 HN LYS 82 0.210 5.494 5.494
616 HA LYS 82 HA LYS 82 1.058 7.812 7.812
617 1HB LYS 82 HB2 LYS 82 3.593 7.467 7.467
618 2HB LYS 82 HB3 LYS 82 2.595 6.974 6.974
619 1HG LYS 82 HG2 LYS 82 2.687 4.710 4.710
620 2HG LYS 82 HG3 LYS 82 4.322 5.342 5.342
621 1HD LYS 82 HD2 LYS 82 4.666 4.498 4.498
622 2HD LYS 82 HD3 LYS 82 3.329 5.439 5.439
623 1HE LYS 82 HE2 LYS 82 1.897 3.645 3.645
624 2HE LYS 82 HE3 LYS 82 2.448 3.081 3.081
625 1HZ LYS 82 HZ3 LYS 82 4.362 2.816 2.816
626 2HZ LYS 82 HZ1 LYS 82 3.027 1.893 1.893
627 3HZ LYS 82 HZ2 LYS 82 3.948 1.754 1.754
628 H GLU 83 HN GLU 83 3.097 5.452 5.452
629 HA GLU 83 HA GLU 83 2.162 6.580 6.580
630 1HB GLU 83 HB2 GLU 83 5.033 6.785 6.785
631 2HB GLU 83 HB3 GLU 83 3.833 8.039 8.039
632 1HG GLU 83 HG2 GLU 83 5.333 8.720 8.720
633 2HG GLU 83 HG3 GLU 83 3.741 8.419 8.419
634 H TYR 84 HN TYR 84 3.291 5.455 5.455
635 HA TYR 84 HA TYR 84 4.596 2.965 2.965
636 1HB TYR 84 HB2 TYR 84 2.811 1.746 1.746
637 2HB TYR 84 HB3 TYR 84 2.170 2.432 2.432
638 HD1 TYR 84 HD2 TYR 84 2.751 3.552 3.552
639 HD2 TYR 84 HD1 TYR 84 0.115 3.478 3.478
640 HE1 TYR 84 HE2 TYR 84 0.995 4.812 4.812
641 HE2 TYR 84 HE1 TYR 84 -1.633 4.737 4.737
642 HH TYR 84 HH TYR 84 -2.177 4.978 4.978
643 H LEU 85 HN LEU 85 5.631 1.936 1.936
644 HA LEU 85 HA LEU 85 6.316 3.874 3.874
645 1HB LEU 85 HB2 LEU 85 7.950 2.138 2.138
646 2HB LEU 85 HB3 LEU 85 8.120 2.707 2.707
647 HG LEU 85 HG LEU 85 8.322 0.157 0.157
648 1HD1 LEU 85 HD11 LEU 85 8.032 1.556 1.556
649 2HD1 LEU 85 HD12 LEU 85 6.612 0.486 0.486
650 3HD1 LEU 85 HD13 LEU 85 8.242 -0.210 -0.210
651 1HD2 LEU 85 HD23 LEU 85 5.321 0.487 0.487
652 2HD2 LEU 85 HD21 LEU 85 6.220 -0.102 -0.102
653 3HD2 LEU 85 HD22 LEU 85 6.194 -1.063 -1.063
654 H ILE 86 HN ILE 86 3.675 1.997 1.997
655 HA ILE 86 HA ILE 86 2.671 0.448 0.448
656 HB ILE 86 HB ILE 86 2.116 3.271 3.271
657 1HG1 ILE 86 HG12 ILE 86 -0.133 2.554 2.554
658 2HG1 ILE 86 HG13 ILE 86 0.195 0.970 0.970
659 1HG2 ILE 86 HG21 ILE 86 1.762 1.729 1.729
660 2HG2 ILE 86 HG22 ILE 86 0.579 2.976 2.976
661 3HG2 ILE 86 HG23 ILE 86 2.293 3.410 3.410
662 1HD1 ILE 86 HD11 ILE 86 1.999 1.507 1.507
663 2HD1 ILE 86 HD12 ILE 86 0.301 1.709 1.709
664 3HD1 ILE 86 HD13 ILE 86 0.845 0.169 0.169
665 H ALA 87 HN ALA 87 3.832 -0.944 -0.944
666 HA ALA 87 HA ALA 87 4.765 0.173 0.173
667 1HB ALA 87 HB3 ALA 87 6.232 -1.346 -1.346
668 2HB ALA 87 HB1 ALA 87 6.473 -1.915 -1.915
669 3HB ALA 87 HB2 ALA 87 6.842 -0.226 -0.226
670 H GLY 88 HN GLY 88 3.293 -0.586 -0.586
671 1HA GLY 88 HA1 GLY 88 3.013 -3.447 -3.447
672 2HA GLY 88 HA2 GLY 88 1.545 -2.631 -2.631
673 H LYS 89 HN LYS 89 1.974 -4.012 -4.012
674 HA LYS 89 HA LYS 89 2.703 -2.671 -2.671
675 1HB LYS 89 HB2 LYS 89 1.039 -3.864 -3.864
676 2HB LYS 89 HB3 LYS 89 1.583 -4.894 -4.894
677 1HG LYS 89 HG2 LYS 89 -0.525 -3.534 -3.534
678 2HG LYS 89 HG3 LYS 89 -1.087 -3.675 -3.675
679 1HD LYS 89 HD2 LYS 89 -1.076 -6.036 -6.036
680 2HD LYS 89 HD3 LYS 89 0.102 -6.110 -6.110
681 1HE LYS 89 HE2 LYS 89 -1.644 -6.417 -6.417
682 2HE LYS 89 HE3 LYS 89 -2.040 -4.728 -4.728
683 1HZ LYS 89 HZ1 LYS 89 -3.001 -6.206 -6.206
684 2HZ LYS 89 HZ2 LYS 89 -3.503 -6.930 -6.930
685 3HZ LYS 89 HZ3 LYS 89 -3.851 -5.357 -5.357
686 H ALA 90 HN ALA 90 2.712 -0.427 -0.427
687 HA ALA 90 HA ALA 90 0.632 1.166 1.166
688 1HB ALA 90 HB2 ALA 90 3.192 1.472 1.472
689 2HB ALA 90 HB3 ALA 90 2.106 2.321 2.321
690 3HB ALA 90 HB1 ALA 90 2.127 2.768 2.768
691 H GLU 91 HN GLU 91 -0.496 2.807 2.807
692 HA GLU 91 HA GLU 91 -1.674 1.110 1.110
693 1HB GLU 91 HB2 GLU 91 -3.118 1.769 1.769
694 2HB GLU 91 HB3 GLU 91 -3.128 3.388 3.388
695 1HG GLU 91 HG2 GLU 91 -5.124 2.083 2.083
696 2HG GLU 91 HG3 GLU 91 -4.144 2.575 2.575
697 H GLY 92 HN GLY 92 0.381 3.672 3.672
698 1HA GLY 92 HA1 GLY 92 1.005 4.537 4.537
699 2HA GLY 92 HA2 GLY 92 -0.580 5.277 5.277
700 H ASP 93 HN ASP 93 -0.766 7.279 7.279
701 HA ASP 93 HA ASP 93 1.223 7.994 7.994
702 1HB ASP 93 HB2 ASP 93 0.682 9.410 9.410
703 2HB ASP 93 HB3 ASP 93 1.189 10.349 10.349
704 H GLY 94 HN GLY 94 0.266 9.257 9.257
705 1HA GLY 94 HA1 GLY 94 -1.226 10.735 10.735
706 2HA GLY 94 HA2 GLY 94 -2.187 10.725 10.725
707 H LYS 95 HN LYS 95 -1.564 7.505 7.505
708 HA LYS 95 HA LYS 95 -3.145 6.827 6.827
709 1HB LYS 95 HB2 LYS 95 -5.262 6.357 6.357
710 2HB LYS 95 HB3 LYS 95 -4.884 7.942 7.942
711 1HG LYS 95 HG2 LYS 95 -4.423 5.327 5.327
712 2HG LYS 95 HG3 LYS 95 -5.842 6.336 6.336
713 1HD LYS 95 HD2 LYS 95 -2.964 7.213 7.213
714 2HD LYS 95 HD3 LYS 95 -4.139 6.795 6.795
715 1HE LYS 95 HE2 LYS 95 -4.312 9.130 9.130
716 2HE LYS 95 HE3 LYS 95 -4.050 9.237 9.237
717 1HZ LYS 95 HZ3 LYS 95 -6.326 7.764 7.764
718 2HZ LYS 95 HZ1 LYS 95 -6.472 8.967 8.967
719 3HZ LYS 95 HZ2 LYS 95 -6.230 9.323 9.323
720 H MET 96 HN MET 96 -3.029 4.597 4.597
721 HA MET 96 HA MET 96 -2.045 2.985 2.985
722 1HB MET 96 HB2 MET 96 -0.418 2.031 2.031
723 2HB MET 96 HB3 MET 96 0.084 3.335 3.335
724 1HG MET 96 HG2 MET 96 0.100 4.851 4.851
725 2HG MET 96 HG3 MET 96 -1.483 4.355 4.355
726 1HE MET 96 HE2 MET 96 1.915 4.668 4.668
727 2HE MET 96 HE3 MET 96 1.622 4.744 4.744
728 3HE MET 96 HE1 MET 96 2.588 3.414 3.414
729 H HIS 97 HN HIS 97 -1.500 0.616 0.616
730 HA HIS 97 HA HIS 97 -4.019 0.150 0.150
731 1HB HIS 97 HB2 HIS 97 -3.024 -1.058 -1.058
732 2HB HIS 97 HB3 HIS 97 -3.303 -2.268 -2.268
733 HD1 HIS 97 HD1 HIS 97 -5.289 -3.062 -3.062
734 HD2 HIS 97 HD2 HIS 97 -5.820 0.647 0.647
735 HE1 HIS 97 HE1 HIS 97 -7.767 -2.493 -2.493
736 H ILE 98 HN ILE 98 -3.854 -0.958 -0.958
737 HA ILE 98 HA ILE 98 -1.391 -2.392 -2.392
738 HB ILE 98 HB ILE 98 -0.996 -1.215 -1.215
739 1HG1 ILE 98 HG12 ILE 98 -3.290 0.560 0.560
740 2HG1 ILE 98 HG13 ILE 98 -3.216 -0.455 -0.455
741 1HG2 ILE 98 HG21 ILE 98 -0.052 -0.510 -0.510
742 2HG2 ILE 98 HG22 ILE 98 -1.070 0.932 0.932
743 3HG2 ILE 98 HG23 ILE 98 0.198 0.538 0.538
744 1HD1 ILE 98 HD13 ILE 98 -1.053 1.615 1.615
745 2HD1 ILE 98 HD11 ILE 98 -2.662 2.143 2.143
746 3HD1 ILE 98 HD12 ILE 98 -1.733 0.966 0.966
747 H THR 99 HN THR 99 -1.715 -4.153 -4.153
748 HA THR 99 HA THR 99 -4.313 -4.325 -4.325
749 HB THR 99 HB THR 99 -4.137 -6.841 -6.841
750 HG1 THR 99 HG1 THR 99 -3.223 -6.469 -6.469
751 1HG2 THR 99 HG21 THR 99 -5.004 -4.422 -4.422
752 2HG2 THR 99 HG22 THR 99 -5.377 -6.111 -6.111
753 3HG2 THR 99 HG23 THR 99 -6.043 -5.396 -5.396
754 H LEU 100 HN LEU 100 -4.387 -6.025 -6.025
755 HA LEU 100 HA LEU 100 -2.213 -5.813 -5.813
756 1HB LEU 100 HB2 LEU 100 -3.421 -7.081 -7.081
757 2HB LEU 100 HB3 LEU 100 -4.682 -6.456 -6.456
758 HG LEU 100 HG LEU 100 -3.471 -9.146 -9.146
759 1HD1 LEU 100 HD11 LEU 100 -4.998 -8.429 -8.429
760 2HD1 LEU 100 HD12 LEU 100 -5.750 -9.734 -9.734
761 3HD1 LEU 100 HD13 LEU 100 -4.074 -9.902 -9.902
762 1HD2 LEU 100 HD22 LEU 100 -5.499 -7.569 -7.569
763 2HD2 LEU 100 HD23 LEU 100 -5.053 -9.248 -9.248
764 3HD2 LEU 100 HD21 LEU 100 -6.321 -8.922 -8.922
765 H CYS 101 HN CYS 101 -3.114 -8.396 -8.396
766 HA CYS 101 HA CYS 101 -1.065 -10.140 -10.140
767 1HB CYS 101 HB2 CYS 101 -3.202 -10.278 -10.278
768 2HB CYS 101 HB3 CYS 101 -1.928 -10.084 -10.084
769 H ASP 102 HN ASP 102 -1.252 -7.230 -7.230
770 HA ASP 102 HA ASP 102 1.193 -7.694 -7.694
771 1HB ASP 102 HB2 ASP 102 -0.857 -6.059 -6.059
772 2HB ASP 102 HB3 ASP 102 0.055 -4.928 -4.928
773 H PHE 103 HN PHE 103 3.041 -5.913 -5.913
774 HA PHE 103 HA PHE 103 3.928 -6.022 -6.022
775 1HB PHE 103 HB2 PHE 103 5.536 -6.078 -6.078
776 2HB PHE 103 HB3 PHE 103 4.775 -4.727 -4.727
777 HD1 PHE 103 HD2 PHE 103 5.289 -4.436 -4.436
778 HD2 PHE 103 HD1 PHE 103 7.018 -3.712 -3.712
779 HE1 PHE 103 HE2 PHE 103 6.944 -2.868 -2.868
780 HE2 PHE 103 HE1 PHE 103 8.674 -2.145 -2.145
781 HZ PHE 103 HZ PHE 103 8.617 -1.742 -1.742
782 H ILE 104 HN ILE 104 3.400 -4.679 -4.679
783 HA ILE 104 HA ILE 104 3.354 -1.876 -1.876
784 HB ILE 104 HB ILE 104 0.898 -1.741 -1.741
785 1HG1 ILE 104 HG12 ILE 104 0.888 -4.418 -4.418
786 2HG1 ILE 104 HG13 ILE 104 0.500 -4.125 -4.125
787 1HG2 ILE 104 HG23 ILE 104 2.144 -1.262 -1.262
788 2HG2 ILE 104 HG21 ILE 104 0.840 -2.371 -2.371
789 3HG2 ILE 104 HG22 ILE 104 0.451 -0.863 -0.863
790 1HD1 ILE 104 HD11 ILE 104 -1.338 -2.513 -2.513
791 2HD1 ILE 104 HD12 ILE 104 -1.058 -3.242 -3.242
792 3HD1 ILE 104 HD13 ILE 104 -1.613 -4.254 -4.254
793 H VAL 105 HN VAL 105 3.805 -0.889 -0.889
794 HA VAL 105 HA VAL 105 3.121 -2.217 -2.217
795 HB VAL 105 HB VAL 105 5.789 -1.818 -1.818
796 1HG1 VAL 105 HG13 VAL 105 4.105 -3.778 -3.778
797 2HG1 VAL 105 HG11 VAL 105 4.853 -4.506 -4.506
798 3HG1 VAL 105 HG12 VAL 105 5.857 -4.089 -4.089
799 1HG2 VAL 105 HG23 VAL 105 5.493 -2.946 -2.946
800 2HG2 VAL 105 HG21 VAL 105 6.353 -1.463 -1.463
801 3HG2 VAL 105 HG22 VAL 105 6.974 -3.054 -3.054
802 HA PRO 106 HA PRO 106 3.187 1.906 1.906
803 1HB PRO 106 HB2 PRO 106 3.544 1.687 1.687
804 2HB PRO 106 HB3 PRO 106 2.001 1.422 1.422
805 1HG PRO 106 HG2 PRO 106 3.878 -0.570 -0.570
806 2HG PRO 106 HG3 PRO 106 2.181 -0.761 -0.761
807 1HD PRO 106 HD2 PRO 106 4.416 -1.711 -1.711
808 2HD PRO 106 HD3 PRO 106 2.724 -1.799 -1.799
809 H TRP 107 HN TRP 107 5.864 0.326 0.326
810 HA TRP 107 HA TRP 107 7.965 1.010 1.010
811 1HB TRP 107 HB2 TRP 107 6.906 3.243 3.243
812 2HB TRP 107 HB3 TRP 107 7.183 3.687 3.687
813 HD1 TRP 107 HD1 TRP 107 9.670 1.916 1.916
814 HE1 TRP 107 HE1 TRP 107 11.933 3.265 3.265
815 HE3 TRP 107 HE3 TRP 107 8.200 5.738 5.738
816 HZ2 TRP 107 HZ2 TRP 107 12.833 5.725 5.725
817 HZ3 TRP 107 HZ3 TRP 107 9.831 7.574 7.574
818 HH2 TRP 107 HH2 TRP 107 12.078 7.608 7.608
819 H ASP 108 HN ASP 108 6.618 2.547 2.547
820 HA ASP 108 HA ASP 108 8.912 1.960 1.960
821 1HB ASP 108 HB2 ASP 108 7.386 3.750 3.750
822 2HB ASP 108 HB3 ASP 108 6.048 2.628 2.628
823 H THR 109 HN THR 109 8.488 -0.458 -0.458
824 HA THR 109 HA THR 109 7.897 -2.169 -2.169
825 HB THR 109 HB THR 109 6.135 -3.429 -3.429
826 HG1 THR 109 HG1 THR 109 6.272 -2.256 -2.256
827 1HG2 THR 109 HG22 THR 109 5.599 -1.931 -1.931
828 2HG2 THR 109 HG23 THR 109 5.268 -0.639 -0.639
829 3HG2 THR 109 HG21 THR 109 4.298 -2.132 -2.132
830 H LEU 110 HN LEU 110 8.189 -2.134 -2.134
831 HA LEU 110 HA LEU 110 9.108 -3.999 -3.999
832 1HB LEU 110 HB2 LEU 110 11.338 -2.177 -2.177
833 2HB LEU 110 HB3 LEU 110 11.385 -3.239 -3.239
834 HG LEU 110 HG LEU 110 9.452 -0.929 -0.929
835 1HD1 LEU 110 HD12 LEU 110 11.937 -0.352 -0.352
836 2HD1 LEU 110 HD13 LEU 110 11.829 -0.986 -0.986
837 3HD1 LEU 110 HD11 LEU 110 10.822 0.397 0.397
838 1HD2 LEU 110 HD23 LEU 110 9.358 -3.160 -3.160
839 2HD2 LEU 110 HD21 LEU 110 8.374 -1.678 -1.678
840 3HD2 LEU 110 HD22 LEU 110 9.889 -1.787 -1.787
841 H SER 111 HN SER 111 12.119 -3.666 -3.666
842 HA SER 111 HA SER 111 12.229 -5.079 -5.079
843 1HB SER 111 HB2 SER 111 11.263 -6.966 -6.966
844 2HB SER 111 HB3 SER 111 12.408 -7.590 -7.590
845 HG SER 111 HG SER 111 9.820 -7.442 -7.442
846 H THR 112 HN THR 112 13.216 -5.396 -5.396
847 HA THR 112 HA THR 112 15.708 -4.513 -4.513
848 HB THR 112 HB THR 112 15.521 -7.134 -7.134
849 HG1 THR 112 HG1 THR 112 17.541 -6.010 -6.010
850 1HG2 THR 112 HG22 THR 112 17.578 -6.523 -6.523
851 2HG2 THR 112 HG23 THR 112 18.085 -7.356 -7.356
852 3HG2 THR 112 HG21 THR 112 16.853 -8.089 -8.089
853 H THR 113 HN THR 113 14.476 -7.810 -7.810
854 HA THR 113 HA THR 113 15.673 -7.911 -7.911
855 HB THR 113 HB THR 113 13.088 -9.076 -9.076
856 HG1 THR 113 HG1 THR 113 15.028 -9.893 -9.893
857 1HG2 THR 113 HG21 THR 113 13.467 -8.974 -8.974
858 2HG2 THR 113 HG22 THR 113 14.519 -10.357 -10.357
859 3HG2 THR 113 HG23 THR 113 12.791 -10.407 -10.407
860 H GLN 114 HN GLN 114 12.978 -5.928 -5.928
861 HA GLN 114 HA GLN 114 12.136 -5.475 -5.475
862 1HB GLN 114 HB2 GLN 114 11.209 -4.609 -4.609
863 2HB GLN 114 HB3 GLN 114 10.720 -3.647 -3.647
864 1HG GLN 114 HG2 GLN 114 8.990 -5.172 -5.172
865 2HG GLN 114 HG3 GLN 114 10.141 -6.088 -6.088
866 1HE2 GLN 114 HE22 GLN 114 11.140 -8.233 -8.233
867 2HE2 GLN 114 HE21 GLN 114 11.835 -7.246 -7.246
868 H LYS 115 HN LYS 115 14.009 -3.851 -3.851
869 HA LYS 115 HA LYS 115 14.190 -1.357 -1.357
870 1HB LYS 115 HB2 LYS 115 15.269 -2.672 -2.672
871 2HB LYS 115 HB3 LYS 115 16.441 -1.614 -1.614
872 1HG LYS 115 HG2 LYS 115 15.181 0.303 0.303
873 2HG LYS 115 HG3 LYS 115 13.651 -0.538 -0.538
874 1HD LYS 115 HD2 LYS 115 15.546 -0.552 -0.552
875 2HD LYS 115 HD3 LYS 115 13.918 0.095 0.095
876 1HE LYS 115 HE2 LYS 115 13.220 -2.376 -2.376
877 2HE LYS 115 HE3 LYS 115 14.790 -2.812 -2.812
878 1HZ LYS 115 HZ3 LYS 115 14.024 -1.368 -1.368
879 2HZ LYS 115 HZ1 LYS 115 12.521 -1.632 -1.632
880 3HZ LYS 115 HZ2 LYS 115 13.459 -2.894 -2.894
881 H LYS 116 HN LYS 116 16.151 -4.368 -4.368
882 HA LYS 116 HA LYS 116 18.278 -3.306 -3.306
883 1HB LYS 116 HB2 LYS 116 18.799 -5.653 -5.653
884 2HB LYS 116 HB3 LYS 116 18.442 -5.409 -5.409
885 1HG LYS 116 HG2 LYS 116 16.466 -6.615 -6.615
886 2HG LYS 116 HG3 LYS 116 16.093 -6.099 -6.099
887 1HD LYS 116 HD2 LYS 116 18.523 -7.720 -7.720
888 2HD LYS 116 HD3 LYS 116 17.229 -8.582 -8.582
889 1HE LYS 116 HE2 LYS 116 16.004 -8.833 -8.833
890 2HE LYS 116 HE3 LYS 116 16.375 -7.217 -7.217
891 1HZ LYS 116 HZ2 LYS 116 18.727 -8.653 -8.653
892 2HZ LYS 116 HZ3 LYS 116 17.594 -9.617 -9.617
893 3HZ LYS 116 HZ1 LYS 116 17.863 -8.125 -8.125
894 H SER 117 HN SER 117 14.970 -3.976 -3.976
895 HA SER 117 HA SER 117 15.637 -4.160 -4.160
896 1HB SER 117 HB2 SER 117 13.535 -5.141 -5.141
897 2HB SER 117 HB3 SER 117 12.782 -3.913 -3.913
898 HG SER 117 HG SER 117 14.547 -5.800 -5.800
899 H LEU 118 HN LEU 118 15.118 -1.755 -1.755
900 HA LEU 118 HA LEU 118 13.775 0.087 0.087
901 1HB LEU 118 HB2 LEU 118 14.559 0.055 0.055
902 2HB LEU 118 HB3 LEU 118 14.300 1.599 1.599
903 HG LEU 118 HG LEU 118 12.128 -0.284 -0.284
904 1HD1 LEU 118 HD13 LEU 118 12.892 0.289 0.289
905 2HD1 LEU 118 HD11 LEU 118 11.202 -0.005 -0.005
906 3HD1 LEU 118 HD12 LEU 118 12.438 -1.256 -1.256
907 1HD2 LEU 118 HD23 LEU 118 12.517 2.462 2.462
908 2HD2 LEU 118 HD21 LEU 118 10.968 1.612 1.612
909 3HD2 LEU 118 HD22 LEU 118 11.482 2.133 2.133
910 H ASN 119 HN ASN 119 16.747 -1.171 -1.171
911 HA ASN 119 HA ASN 119 18.286 1.216 1.216
912 1HB ASN 119 HB2 ASN 119 18.765 -1.704 -1.704
913 2HB ASN 119 HB3 ASN 119 19.912 -0.569 -0.569
914 1HD2 ASN 119 HD22 ASN 119 19.911 -1.531 -1.531
915 2HD2 ASN 119 HD21 ASN 119 18.841 -2.217 -2.217
916 H HIS 120 HN HIS 120 17.872 -1.323 -1.323
917 HA HIS 120 HA HIS 120 18.593 0.310 0.310
918 1HB HIS 120 HB2 HIS 120 18.379 -2.220 -2.220
919 2HB HIS 120 HB3 HIS 120 16.656 -2.010 -2.010
920 HD1 HIS 120 HD1 HIS 120 19.860 -2.191 -2.191
921 HD2 HIS 120 HD2 HIS 120 16.000 -0.738 -0.738
922 HE1 HIS 120 HE1 HIS 120 19.702 -1.878 -1.878
923 H ARG 121 HN ARG 121 15.362 -0.970 -0.970
924 HA ARG 121 HA ARG 121 14.174 1.598 1.598
925 1HB ARG 121 HB2 ARG 121 14.205 0.294 0.294
926 2HB ARG 121 HB3 ARG 121 13.203 1.666 1.666
927 1HG ARG 121 HG2 ARG 121 15.701 2.530 2.530
928 2HG ARG 121 HG3 ARG 121 16.124 1.555 1.555
929 1HD ARG 121 HD2 ARG 121 13.790 3.388 3.388
930 2HD ARG 121 HD3 ARG 121 15.336 4.182 4.182
931 HE ARG 121 HE ARG 121 15.629 2.030 2.030
932 1HH1 ARG 121 HH22 ARG 121 14.291 5.271 5.271
933 2HH1 ARG 121 HH21 ARG 121 14.446 5.625 5.625
934 1HH2 ARG 121 HH12 ARG 121 15.834 2.495 2.495
935 2HH2 ARG 121 HH11 ARG 121 15.328 4.035 4.035
936 H TYR 122 HN TYR 122 13.210 -1.137 -1.137
937 HA TYR 122 HA TYR 122 11.214 -1.922 -1.922
938 1HB TYR 122 HB2 TYR 122 9.623 -2.101 -2.101
939 2HB TYR 122 HB3 TYR 122 10.235 -0.464 -0.464
940 HD1 TYR 122 HD1 TYR 122 12.370 0.072 0.072
941 HD2 TYR 122 HD2 TYR 122 9.709 -3.200 -3.200
942 HE1 TYR 122 HE1 TYR 122 13.156 -0.045 -0.045
943 HE2 TYR 122 HE2 TYR 122 10.505 -3.306 -3.306
944 HH TYR 122 HH TYR 122 12.871 -0.958 -0.958
945 H GLN 123 HN GLN 123 13.969 -2.863 -2.863
946 HA GLN 123 HA GLN 123 13.271 -5.594 -5.594
947 1HB GLN 123 HB2 GLN 123 12.791 -4.630 -4.630
948 2HB GLN 123 HB3 GLN 123 14.495 -4.997 -4.997
949 1HG GLN 123 HG2 GLN 123 13.256 -7.210 -7.210
950 2HG GLN 123 HG3 GLN 123 12.266 -6.826 -6.826
951 1HE2 GLN 123 HE22 GLN 123 14.353 -8.325 -8.325
952 2HE2 GLN 123 HE21 GLN 123 12.796 -7.727 -7.727
953 H MET 124 HN MET 124 14.876 -5.060 -5.060
954 HA MET 124 HA MET 124 17.465 -4.271 -4.271
955 1HB MET 124 HB2 MET 124 15.966 -5.181 -5.181
956 2HB MET 124 HB3 MET 124 17.643 -5.689 -5.689
957 1HG MET 124 HG2 MET 124 17.053 -2.827 -2.827
958 2HG MET 124 HG3 MET 124 16.886 -3.275 -3.275
959 1HE MET 124 HE3 MET 124 18.413 -5.151 -5.151
960 2HE MET 124 HE1 MET 124 20.053 -5.476 -5.476
961 3HE MET 124 HE2 MET 124 19.798 -4.235 -4.235
962 H GLY 125 HN GLY 125 17.177 -6.097 -6.097
963 1HA GLY 125 HA1 GLY 125 17.801 -8.107 -8.107
964 2HA GLY 125 HA2 GLY 125 19.255 -7.799 -7.799
965 H CYS 126 HN CYS 126 16.132 -8.193 -8.193
966 HA CYS 126 HA CYS 126 17.157 -10.286 -10.286
967 1HB CYS 126 HB2 CYS 126 15.284 -10.066 -10.066
968 2HB CYS 126 HB3 CYS 126 15.284 -8.505 -8.505
969 H GLU 127 HN GLU 127 14.837 -12.050 -12.050
970 HA GLU 127 HA GLU 127 14.031 -13.851 -13.851
971 1HB GLU 127 HB2 GLU 127 12.863 -12.593 -12.593
972 2HB GLU 127 HB3 GLU 127 14.327 -12.195 -12.195
973 1HG GLU 127 HG2 GLU 127 14.417 -14.251 -14.251
974 2HG GLU 127 HG3 GLU 127 13.705 -15.117 -15.117
Start of MODEL 37
1 H CYS 1 HN CYS 1 -12.346 -12.598 -12.598
2 HA CYS 1 HA CYS 1 -10.078 -12.544 -12.544
3 1HB CYS 1 HB2 CYS 1 -8.807 -10.626 -10.626
4 2HB CYS 1 HB3 CYS 1 -10.376 -10.119 -10.119
5 H SER 2 HN SER 2 -8.134 -12.359 -12.359
6 HA SER 2 HA SER 2 -8.190 -11.602 -11.602
7 1HB SER 2 HB2 SER 2 -8.921 -14.003 -14.003
8 2HB SER 2 HB3 SER 2 -10.000 -12.627 -12.627
9 HG SER 2 HG SER 2 -9.801 -14.401 -14.401
10 H CYS 3 HN CYS 3 -6.083 -11.818 -11.818
11 HA CYS 3 HA CYS 3 -4.915 -14.464 -14.464
12 1HB CYS 3 HB2 CYS 3 -4.419 -13.756 -13.756
13 2HB CYS 3 HB3 CYS 3 -4.380 -12.061 -12.061
14 H SER 4 HN SER 4 -2.661 -14.607 -14.607
15 HA SER 4 HA SER 4 -2.560 -12.911 -12.911
16 1HB SER 4 HB2 SER 4 -1.183 -14.576 -14.576
17 2HB SER 4 HB3 SER 4 -2.349 -15.482 -15.482
18 HG SER 4 HG SER 4 0.214 -15.807 -15.807
19 HA PRO 5 HA PRO 5 0.630 -10.609 -10.609
20 1HB PRO 5 HB2 PRO 5 0.988 -8.746 -8.746
21 2HB PRO 5 HB3 PRO 5 -0.244 -8.608 -8.608
22 1HG PRO 5 HG2 PRO 5 -0.550 -9.344 -9.344
23 2HG PRO 5 HG3 PRO 5 -1.772 -8.792 -8.792
24 1HD PRO 5 HD2 PRO 5 -1.347 -11.486 -11.486
25 2HD PRO 5 HD3 PRO 5 -2.492 -10.951 -10.951
26 H VAL 6 HN VAL 6 2.648 -11.276 -11.276
27 HA VAL 6 HA VAL 6 4.289 -11.493 -11.493
28 HB VAL 6 HB VAL 6 3.152 -13.699 -13.699
29 1HG1 VAL 6 HG11 VAL 6 3.994 -13.294 -13.294
30 2HG1 VAL 6 HG12 VAL 6 4.755 -14.774 -14.774
31 3HG1 VAL 6 HG13 VAL 6 2.984 -14.591 -14.591
32 1HG2 VAL 6 HG23 VAL 6 6.052 -13.193 -13.193
33 2HG2 VAL 6 HG21 VAL 6 4.987 -14.157 -14.157
34 3HG2 VAL 6 HG22 VAL 6 5.620 -14.859 -14.859
35 H HIS 7 HN HIS 7 5.979 -13.261 -13.261
36 HA HIS 7 HA HIS 7 7.868 -12.669 -12.669
37 1HB HIS 7 HB2 HIS 7 7.120 -11.434 -11.434
38 2HB HIS 7 HB3 HIS 7 6.864 -13.142 -13.142
39 HD1 HIS 7 HD1 HIS 7 4.546 -13.910 -13.910
40 HD2 HIS 7 HD2 HIS 7 4.652 -9.876 -9.876
41 HE1 HIS 7 HE1 HIS 7 2.146 -13.058 -13.058
42 HA PRO 8 HA PRO 8 8.425 -8.503 -8.503
43 1HB PRO 8 HB2 PRO 8 10.845 -8.924 -8.924
44 2HB PRO 8 HB3 PRO 8 9.318 -9.096 -9.096
45 1HG PRO 8 HG2 PRO 8 11.138 -11.206 -11.206
46 2HG PRO 8 HG3 PRO 8 9.856 -11.329 -11.329
47 1HD PRO 8 HD2 PRO 8 9.760 -12.217 -12.217
48 2HD PRO 8 HD3 PRO 8 8.443 -12.234 -12.234
49 H GLN 9 HN GLN 9 10.570 -10.561 -10.561
50 HA GLN 9 HA GLN 9 11.869 -8.190 -8.190
51 1HB GLN 9 HB2 GLN 9 13.280 -10.099 -10.099
52 2HB GLN 9 HB3 GLN 9 12.498 -11.146 -11.146
53 1HG GLN 9 HG2 GLN 9 14.009 -10.489 -10.489
54 2HG GLN 9 HG3 GLN 9 13.342 -8.870 -8.870
55 1HE2 GLN 9 HE22 GLN 9 15.691 -7.898 -7.898
56 2HE2 GLN 9 HE21 GLN 9 13.975 -8.023 -8.023
57 H GLN 10 HN GLN 10 9.866 -11.011 -11.011
58 HA GLN 10 HA GLN 10 9.955 -10.410 -10.410
59 1HB GLN 10 HB2 GLN 10 9.164 -12.533 -12.533
60 2HB GLN 10 HB3 GLN 10 8.608 -12.317 -12.317
61 1HG GLN 10 HG2 GLN 10 6.605 -12.698 -12.698
62 2HG GLN 10 HG3 GLN 10 6.636 -10.957 -10.957
63 1HE2 GLN 10 HE22 GLN 10 5.864 -12.024 -12.024
64 2HE2 GLN 10 HE21 GLN 10 5.276 -12.508 -12.508
65 H ALA 11 HN ALA 11 8.632 -8.668 -8.668
66 HA ALA 11 HA ALA 11 6.235 -7.819 -7.819
67 1HB ALA 11 HB2 ALA 11 7.443 -7.611 -7.611
68 2HB ALA 11 HB3 ALA 11 6.642 -6.116 -6.116
69 3HB ALA 11 HB1 ALA 11 5.731 -7.645 -7.645
70 H PHE 12 HN PHE 12 9.584 -6.711 -6.711
71 HA PHE 12 HA PHE 12 9.017 -4.170 -4.170
72 1HB PHE 12 HB2 PHE 12 11.498 -5.549 -5.549
73 2HB PHE 12 HB3 PHE 12 11.542 -3.922 -3.922
74 HD1 PHE 12 HD1 PHE 12 9.302 -5.804 -5.804
75 HD2 PHE 12 HD2 PHE 12 11.575 -2.293 -2.293
76 HE1 PHE 12 HE1 PHE 12 8.607 -4.896 -4.896
77 HE2 PHE 12 HE2 PHE 12 10.879 -1.385 -1.385
78 HZ PHE 12 HZ PHE 12 9.404 -2.696 -2.696
79 H CYS 13 HN CYS 13 9.438 -7.239 -7.239
80 HA CYS 13 HA CYS 13 11.127 -6.340 -6.340
81 1HB CYS 13 HB2 CYS 13 10.879 -8.899 -8.899
82 2HB CYS 13 HB3 CYS 13 10.936 -9.048 -9.048
83 H ASN 14 HN ASN 14 7.934 -6.956 -6.956
84 HA ASN 14 HA ASN 14 7.071 -7.733 -7.733
85 1HB ASN 14 HB2 ASN 14 6.229 -8.475 -8.475
86 2HB ASN 14 HB3 ASN 14 4.956 -7.411 -7.411
87 1HD2 ASN 14 HD22 ASN 14 5.809 -10.946 -10.946
88 2HD2 ASN 14 HD21 ASN 14 7.009 -10.108 -10.108
89 H ALA 15 HN ALA 15 6.674 -5.281 -5.281
90 HA ALA 15 HA ALA 15 4.688 -3.735 -3.735
91 1HB ALA 15 HB3 ALA 15 7.086 -2.974 -2.974
92 2HB ALA 15 HB1 ALA 15 5.684 -1.919 -1.919
93 3HB ALA 15 HB2 ALA 15 5.472 -3.456 -3.456
94 H ASP 16 HN ASP 16 5.141 -1.343 -1.343
95 HA ASP 16 HA ASP 16 7.454 -1.240 -1.240
96 1HB ASP 16 HB2 ASP 16 4.633 -1.566 -1.566
97 2HB ASP 16 HB3 ASP 16 5.578 -0.347 -0.347
98 H VAL 17 HN VAL 17 5.864 0.094 0.094
99 HA VAL 17 HA VAL 17 6.553 2.760 2.760
100 HB VAL 17 HB VAL 17 4.423 2.535 2.535
101 1HG1 VAL 17 HG12 VAL 17 3.520 0.929 0.929
102 2HG1 VAL 17 HG13 VAL 17 2.895 2.455 2.455
103 3HG1 VAL 17 HG11 VAL 17 2.414 1.936 1.936
104 1HG2 VAL 17 HG21 VAL 17 5.298 4.652 4.652
105 2HG2 VAL 17 HG22 VAL 17 3.714 4.657 4.657
106 3HG2 VAL 17 HG23 VAL 17 3.814 4.380 4.380
107 H VAL 18 HN VAL 18 7.852 2.433 2.433
108 HA VAL 18 HA VAL 18 6.361 1.977 1.977
109 HB VAL 18 HB VAL 18 9.322 2.235 2.235
110 1HG1 VAL 18 HG13 VAL 18 7.254 1.096 1.096
111 2HG1 VAL 18 HG11 VAL 18 8.514 -0.104 -0.104
112 3HG1 VAL 18 HG12 VAL 18 8.959 1.450 1.450
113 1HG2 VAL 18 HG23 VAL 18 8.710 0.937 0.937
114 2HG2 VAL 18 HG21 VAL 18 9.707 0.048 0.048
115 3HG2 VAL 18 HG22 VAL 18 7.961 -0.279 -0.279
116 H ILE 19 HN ILE 19 5.683 3.713 3.713
117 HA ILE 19 HA ILE 19 7.438 6.028 6.028
118 HB ILE 19 HB ILE 19 5.758 7.590 7.590
119 1HG1 ILE 19 HG12 ILE 19 3.918 5.251 5.251
120 2HG1 ILE 19 HG13 ILE 19 3.711 6.903 6.903
121 1HG2 ILE 19 HG23 ILE 19 7.060 6.499 6.499
122 2HG2 ILE 19 HG21 ILE 19 5.689 5.394 5.394
123 3HG2 ILE 19 HG22 ILE 19 5.483 7.143 7.143
124 1HD1 ILE 19 HD12 ILE 19 3.643 7.550 7.550
125 2HD1 ILE 19 HD13 ILE 19 3.409 5.810 5.810
126 3HD1 ILE 19 HD11 ILE 19 2.225 6.717 6.717
127 H ARG 20 HN ARG 20 7.667 6.656 6.656
128 HA ARG 20 HA ARG 20 6.101 5.339 5.339
129 1HB ARG 20 HB2 ARG 20 8.565 5.980 5.980
130 2HB ARG 20 HB3 ARG 20 8.066 7.653 7.653
131 1HG ARG 20 HG2 ARG 20 6.616 6.973 6.973
132 2HG ARG 20 HG3 ARG 20 7.290 5.359 5.359
133 1HD ARG 20 HD2 ARG 20 8.484 6.760 6.760
134 2HD ARG 20 HD3 ARG 20 9.558 6.210 6.210
135 HE ARG 20 HE ARG 20 8.996 8.551 8.551
136 1HH1 ARG 20 HH22 ARG 20 9.294 7.889 7.889
137 2HH1 ARG 20 HH21 ARG 20 9.793 9.499 9.499
138 1HH2 ARG 20 HH12 ARG 20 9.656 10.676 10.676
139 2HH2 ARG 20 HH11 ARG 20 10.000 11.095 11.095
140 H THR 21 HN THR 21 4.395 6.869 6.869
141 HA THR 21 HA THR 21 3.869 9.449 9.449
142 HB THR 21 HB THR 21 3.145 8.725 8.725
143 HG1 THR 21 HG1 THR 21 1.317 9.906 9.906
144 1HG2 THR 21 HG22 THR 21 2.698 6.258 6.258
145 2HG2 THR 21 HG23 THR 21 1.110 6.885 6.885
146 3HG2 THR 21 HG21 THR 21 1.593 6.956 6.956
147 H LYS 22 HN LYS 22 1.584 9.994 9.994
148 HA LYS 22 HA LYS 22 1.047 8.091 8.091
149 1HB LYS 22 HB2 LYS 22 0.791 9.931 9.931
150 2HB LYS 22 HB3 LYS 22 2.388 9.983 9.983
151 1HG LYS 22 HG2 LYS 22 1.731 11.767 11.767
152 2HG LYS 22 HG3 LYS 22 0.043 11.607 11.607
153 1HD LYS 22 HD2 LYS 22 2.329 12.757 12.757
154 2HD LYS 22 HD3 LYS 22 0.779 13.484 13.484
155 1HE LYS 22 HE2 LYS 22 -0.274 11.564 11.564
156 2HE LYS 22 HE3 LYS 22 1.352 11.229 11.229
157 1HZ LYS 22 HZ1 LYS 22 0.536 13.986 13.986
158 2HZ LYS 22 HZ2 LYS 22 -0.241 12.977 12.977
159 3HZ LYS 22 HZ3 LYS 22 1.386 13.100 13.100
160 H ALA 23 HN ALA 23 -0.999 7.347 7.347
161 HA ALA 23 HA ALA 23 -2.908 8.812 8.812
162 1HB ALA 23 HB3 ALA 23 -2.546 6.399 6.399
163 2HB ALA 23 HB1 ALA 23 -3.018 6.048 6.048
164 3HB ALA 23 HB2 ALA 23 -4.211 6.722 6.722
165 H VAL 24 HN VAL 24 -3.825 10.483 10.483
166 HA VAL 24 HA VAL 24 -4.686 9.886 9.886
167 HB VAL 24 HB VAL 24 -4.924 12.438 12.438
168 1HG1 VAL 24 HG12 VAL 24 -2.419 10.815 10.815
169 2HG1 VAL 24 HG13 VAL 24 -2.255 12.586 12.586
170 3HG1 VAL 24 HG11 VAL 24 -3.205 11.739 11.739
171 1HG2 VAL 24 HG22 VAL 24 -4.583 12.406 12.406
172 2HG2 VAL 24 HG23 VAL 24 -4.005 13.761 13.761
173 3HG2 VAL 24 HG21 VAL 24 -2.866 12.503 12.503
174 H SER 25 HN SER 25 -5.705 10.934 10.934
175 HA SER 25 HA SER 25 -8.449 10.814 10.814
176 1HB SER 25 HB2 SER 25 -8.330 12.987 12.987
177 2HB SER 25 HB3 SER 25 -7.075 12.614 12.614
178 HG SER 25 HG SER 25 -9.220 13.090 13.090
179 H GLU 26 HN GLU 26 -10.054 10.124 10.124
180 HA GLU 26 HA GLU 26 -8.833 8.434 8.434
181 1HB GLU 26 HB2 GLU 26 -10.463 7.355 7.355
182 2HB GLU 26 HB3 GLU 26 -10.443 6.514 6.514
183 1HG GLU 26 HG2 GLU 26 -8.528 5.511 5.511
184 2HG GLU 26 HG3 GLU 26 -7.731 7.050 7.050
185 H LYS 27 HN LYS 27 -10.931 7.145 7.145
186 HA LYS 27 HA LYS 27 -13.199 8.952 8.952
187 1HB LYS 27 HB2 LYS 27 -11.640 9.901 9.901
188 2HB LYS 27 HB3 LYS 27 -11.526 8.352 8.352
189 1HG LYS 27 HG2 LYS 27 -13.662 8.504 8.504
190 2HG LYS 27 HG3 LYS 27 -14.296 9.424 9.424
191 1HD LYS 27 HD2 LYS 27 -14.031 10.709 10.709
192 2HD LYS 27 HD3 LYS 27 -13.343 11.474 11.474
193 1HE LYS 27 HE2 LYS 27 -11.091 10.707 10.707
194 2HE LYS 27 HE3 LYS 27 -11.717 9.718 9.718
195 1HZ LYS 27 HZ3 LYS 27 -12.436 12.500 12.500
196 2HZ LYS 27 HZ1 LYS 27 -10.853 12.177 12.177
197 3HZ LYS 27 HZ2 LYS 27 -11.978 11.498 11.498
198 H GLU 28 HN GLU 28 -14.901 7.637 7.637
199 HA GLU 28 HA GLU 28 -14.650 4.867 4.867
200 1HB GLU 28 HB2 GLU 28 -15.954 5.605 5.605
201 2HB GLU 28 HB3 GLU 28 -16.965 6.626 6.626
202 1HG GLU 28 HG2 GLU 28 -17.324 4.185 4.185
203 2HG GLU 28 HG3 GLU 28 -17.081 3.676 3.676
204 H VAL 29 HN VAL 29 -14.375 4.454 4.454
205 HA VAL 29 HA VAL 29 -16.524 5.438 5.438
206 HB VAL 29 HB VAL 29 -14.951 4.922 4.922
207 1HG1 VAL 29 HG13 VAL 29 -14.943 7.093 7.093
208 2HG1 VAL 29 HG11 VAL 29 -13.222 6.665 6.665
209 3HG1 VAL 29 HG12 VAL 29 -14.180 7.022 7.022
210 1HG2 VAL 29 HG23 VAL 29 -13.552 3.516 3.516
211 2HG2 VAL 29 HG21 VAL 29 -13.164 3.630 3.630
212 3HG2 VAL 29 HG22 VAL 29 -12.493 4.820 4.820
213 H ASP 30 HN ASP 30 -18.066 4.018 4.018
214 HA ASP 30 HA ASP 30 -18.017 1.407 1.407
215 1HB ASP 30 HB2 ASP 30 -19.700 3.036 3.036
216 2HB ASP 30 HB3 ASP 30 -19.853 1.296 1.296
217 H SER 31 HN SER 31 -18.163 -0.598 -0.598
218 HA SER 31 HA SER 31 -16.875 -0.249 -0.249
219 1HB SER 31 HB2 SER 31 -14.862 -0.630 -0.630
220 2HB SER 31 HB3 SER 31 -15.608 -1.589 -1.589
221 HG SER 31 HG SER 31 -15.570 -2.580 -2.580
222 H GLY 32 HN GLY 32 -19.518 -1.143 -1.143
223 1HA GLY 32 HA1 GLY 32 -21.139 -2.590 -2.590
224 2HA GLY 32 HA2 GLY 32 -20.023 -3.353 -3.353
225 H ASN 33 HN ASN 33 -21.570 -5.147 -5.147
226 HA ASN 33 HA ASN 33 -20.481 -5.948 -5.948
227 1HB ASN 33 HB2 ASN 33 -22.320 -7.623 -7.623
228 2HB ASN 33 HB3 ASN 33 -22.201 -7.638 -7.638
229 1HD2 ASN 33 HD22 ASN 33 -24.936 -5.382 -5.382
230 2HD2 ASN 33 HD21 ASN 33 -24.069 -6.719 -6.719
231 H ASP 34 HN ASP 34 -19.754 -8.371 -8.371
232 HA ASP 34 HA ASP 34 -17.919 -8.877 -8.877
233 1HB ASP 34 HB2 ASP 34 -17.474 -8.901 -8.901
234 2HB ASP 34 HB3 ASP 34 -18.081 -10.540 -10.540
235 H ILE 35 HN ILE 35 -17.604 -11.739 -11.739
236 HA ILE 35 HA ILE 35 -19.898 -12.691 -12.691
237 HB ILE 35 HB ILE 35 -17.407 -14.092 -14.092
238 1HG1 ILE 35 HG12 ILE 35 -16.832 -13.942 -13.942
239 2HG1 ILE 35 HG13 ILE 35 -18.098 -12.737 -12.737
240 1HG2 ILE 35 HG23 ILE 35 -19.797 -15.021 -15.021
241 2HG2 ILE 35 HG21 ILE 35 -18.199 -15.617 -15.617
242 3HG2 ILE 35 HG22 ILE 35 -18.762 -15.886 -15.886
243 1HD1 ILE 35 HD12 ILE 35 -16.035 -12.434 -12.434
244 2HD1 ILE 35 HD13 ILE 35 -15.597 -12.006 -12.006
245 3HD1 ILE 35 HD11 ILE 35 -16.952 -11.179 -11.179
246 H TYR 36 HN TYR 36 -19.453 -11.943 -11.943
247 HA TYR 36 HA TYR 36 -20.936 -14.297 -14.297
248 1HB TYR 36 HB2 TYR 36 -18.618 -13.166 -13.166
249 2HB TYR 36 HB3 TYR 36 -19.741 -12.090 -12.090
250 HD1 TYR 36 HD1 TYR 36 -19.476 -15.800 -15.800
251 HD2 TYR 36 HD2 TYR 36 -20.160 -12.619 -12.619
252 HE1 TYR 36 HE1 TYR 36 -19.759 -17.490 -17.490
253 HE2 TYR 36 HE2 TYR 36 -20.440 -14.321 -14.321
254 HH TYR 36 HH TYR 36 -19.678 -17.670 -17.670
255 H GLY 37 HN GLY 37 -21.468 -11.230 -11.230
256 1HA GLY 37 HA1 GLY 37 -23.497 -10.156 -10.156
257 2HA GLY 37 HA2 GLY 37 -24.050 -11.074 -11.074
258 H ASN 38 HN ASN 38 -21.073 -10.218 -10.218
259 HA ASN 38 HA ASN 38 -22.129 -8.118 -8.118
260 1HB ASN 38 HB2 ASN 38 -19.662 -8.063 -8.063
261 2HB ASN 38 HB3 ASN 38 -20.564 -9.541 -9.541
262 1HD2 ASN 38 HD22 ASN 38 -17.237 -10.472 -10.472
263 2HD2 ASN 38 HD21 ASN 38 -17.896 -9.653 -9.653
264 HA PRO 39 HA PRO 39 -20.530 -4.822 -4.822
265 1HB PRO 39 HB2 PRO 39 -20.186 -2.853 -2.853
266 2HB PRO 39 HB3 PRO 39 -21.744 -3.253 -3.253
267 1HG PRO 39 HG2 PRO 39 -20.697 -3.892 -3.892
268 2HG PRO 39 HG3 PRO 39 -22.358 -3.898 -3.898
269 1HD PRO 39 HD2 PRO 39 -20.685 -6.187 -6.187
270 2HD PRO 39 HD3 PRO 39 -22.304 -6.185 -6.185
271 H ILE 40 HN ILE 40 -18.683 -4.396 -4.396
272 HA ILE 40 HA ILE 40 -16.315 -5.387 -5.387
273 HB ILE 40 HB ILE 40 -16.899 -3.648 -3.648
274 1HG1 ILE 40 HG12 ILE 40 -16.211 -6.584 -6.584
275 2HG1 ILE 40 HG13 ILE 40 -17.762 -5.915 -5.915
276 1HG2 ILE 40 HG21 ILE 40 -14.249 -4.744 -4.744
277 2HG2 ILE 40 HG22 ILE 40 -14.552 -4.221 -4.221
278 3HG2 ILE 40 HG23 ILE 40 -14.684 -3.051 -3.051
279 1HD1 ILE 40 HD11 ILE 40 -16.058 -4.712 -4.712
280 2HD1 ILE 40 HD12 ILE 40 -15.315 -6.315 -6.315
281 3HD1 ILE 40 HD13 ILE 40 -17.012 -6.183 -6.183
282 H LYS 41 HN LYS 41 -16.775 -1.967 -1.967
283 HA LYS 41 HA LYS 41 -16.250 -0.044 -0.044
284 1HB LYS 41 HB2 LYS 41 -17.615 -0.760 -0.760
285 2HB LYS 41 HB3 LYS 41 -16.253 -1.611 -1.611
286 1HG LYS 41 HG2 LYS 41 -16.350 0.508 0.508
287 2HG LYS 41 HG3 LYS 41 -14.990 0.615 0.615
288 1HD LYS 41 HD2 LYS 41 -16.175 2.663 2.663
289 2HD LYS 41 HD3 LYS 41 -16.608 1.688 1.688
290 1HE LYS 41 HE2 LYS 41 -18.656 0.902 0.902
291 2HE LYS 41 HE3 LYS 41 -18.280 2.265 2.265
292 1HZ LYS 41 HZ1 LYS 41 -18.327 2.916 2.916
293 2HZ LYS 41 HZ2 LYS 41 -19.767 2.396 2.396
294 3HZ LYS 41 HZ3 LYS 41 -19.031 3.679 3.679
295 H ARG 42 HN ARG 42 -14.342 0.993 0.993
296 HA ARG 42 HA ARG 42 -11.985 -0.410 -0.410
297 1HB ARG 42 HB2 ARG 42 -11.076 0.978 0.978
298 2HB ARG 42 HB3 ARG 42 -11.399 -0.743 -0.743
299 1HG ARG 42 HG2 ARG 42 -13.830 -0.216 -0.216
300 2HG ARG 42 HG3 ARG 42 -13.338 1.446 1.446
301 1HD ARG 42 HD2 ARG 42 -11.462 0.310 0.310
302 2HD ARG 42 HD3 ARG 42 -12.604 -1.018 -1.018
303 HE ARG 42 HE ARG 42 -14.042 0.280 0.280
304 1HH1 ARG 42 HH22 ARG 42 -11.624 2.364 2.364
305 2HH1 ARG 42 HH21 ARG 42 -12.081 3.760 3.760
306 1HH2 ARG 42 HH12 ARG 42 -14.645 2.122 2.122
307 2HH2 ARG 42 HH11 ARG 42 -13.811 3.621 3.621
308 H ILE 43 HN ILE 43 -12.598 1.251 1.251
309 HA ILE 43 HA ILE 43 -12.647 3.916 3.916
310 HB ILE 43 HB ILE 43 -11.937 1.973 1.973
311 1HG1 ILE 43 HG12 ILE 43 -12.948 3.876 3.876
312 2HG1 ILE 43 HG13 ILE 43 -13.275 4.674 4.674
313 1HG2 ILE 43 HG21 ILE 43 -10.440 4.606 4.606
314 2HG2 ILE 43 HG22 ILE 43 -10.637 3.483 3.483
315 3HG2 ILE 43 HG23 ILE 43 -9.741 2.971 2.971
316 1HD1 ILE 43 HD13 ILE 43 -14.108 1.976 1.976
317 2HD1 ILE 43 HD11 ILE 43 -14.700 2.469 2.469
318 3HD1 ILE 43 HD12 ILE 43 -15.145 3.415 3.415
319 H GLN 44 HN GLN 44 -11.225 5.657 5.657
320 HA GLN 44 HA GLN 44 -8.858 4.953 4.953
321 1HB GLN 44 HB2 GLN 44 -10.174 7.620 7.620
322 2HB GLN 44 HB3 GLN 44 -8.685 7.494 7.494
323 1HG GLN 44 HG2 GLN 44 -11.453 6.510 6.510
324 2HG GLN 44 HG3 GLN 44 -10.398 7.586 7.586
325 1HE2 GLN 44 HE22 GLN 44 -9.926 3.484 3.484
326 2HE2 GLN 44 HE21 GLN 44 -10.864 4.279 4.279
327 H TYR 45 HN TYR 45 -6.953 6.804 6.804
328 HA TYR 45 HA TYR 45 -6.545 6.730 6.730
329 1HB TYR 45 HB2 TYR 45 -5.090 5.411 5.411
330 2HB TYR 45 HB3 TYR 45 -4.032 6.296 6.296
331 HD1 TYR 45 HD2 TYR 45 -5.588 5.791 5.791
332 HD2 TYR 45 HD1 TYR 45 -4.396 3.191 3.191
333 HE1 TYR 45 HE2 TYR 45 -5.583 3.818 3.818
334 HE2 TYR 45 HE1 TYR 45 -4.395 1.228 1.228
335 HH TYR 45 HH TYR 45 -4.837 0.547 0.547
336 H GLU 46 HN GLU 46 -7.307 9.049 9.049
337 HA GLU 46 HA GLU 46 -5.679 10.697 10.697
338 1HB GLU 46 HB2 GLU 46 -8.106 11.000 11.000
339 2HB GLU 46 HB3 GLU 46 -7.187 11.793 11.793
340 1HG GLU 46 HG2 GLU 46 -6.271 13.416 13.416
341 2HG GLU 46 HG3 GLU 46 -6.839 12.513 12.513
342 H ILE 47 HN ILE 47 -3.568 9.676 9.676
343 HA ILE 47 HA ILE 47 -2.747 10.327 10.327
344 HB ILE 47 HB ILE 47 -0.534 9.654 9.654
345 1HG1 ILE 47 HG12 ILE 47 -1.833 9.853 9.853
346 2HG1 ILE 47 HG13 ILE 47 -0.301 10.506 10.506
347 1HG2 ILE 47 HG21 ILE 47 -2.897 8.085 8.085
348 2HG2 ILE 47 HG22 ILE 47 -1.889 7.474 7.474
349 3HG2 ILE 47 HG23 ILE 47 -1.219 7.582 7.582
350 1HD1 ILE 47 HD11 ILE 47 -0.145 7.679 7.679
351 2HD1 ILE 47 HD12 ILE 47 -0.835 7.940 7.940
352 3HD1 ILE 47 HD13 ILE 47 0.736 8.662 8.662
353 H LYS 48 HN LYS 48 -0.368 11.595 11.595
354 HA LYS 48 HA LYS 48 -0.991 14.192 14.192
355 1HB LYS 48 HB2 LYS 48 -1.174 13.824 13.824
356 2HB LYS 48 HB3 LYS 48 0.571 13.973 13.973
357 1HG LYS 48 HG2 LYS 48 -0.368 16.064 16.064
358 2HG LYS 48 HG3 LYS 48 -1.479 16.052 16.052
359 1HD LYS 48 HD2 LYS 48 1.523 16.473 16.473
360 2HD LYS 48 HD3 LYS 48 0.273 17.483 17.483
361 1HE LYS 48 HE2 LYS 48 -0.133 15.106 15.106
362 2HE LYS 48 HE3 LYS 48 1.601 15.062 15.062
363 1HZ LYS 48 HZ2 LYS 48 0.151 17.346 17.346
364 2HZ LYS 48 HZ3 LYS 48 0.959 16.225 16.225
365 3HZ LYS 48 HZ1 LYS 48 1.772 17.212 17.212
366 H GLN 49 HN GLN 49 0.969 11.485 11.485
367 HA GLN 49 HA GLN 49 2.930 11.043 11.043
368 1HB GLN 49 HB2 GLN 49 2.385 13.674 13.674
369 2HB GLN 49 HB3 GLN 49 3.840 12.753 12.753
370 1HG GLN 49 HG2 GLN 49 1.114 11.416 11.416
371 2HG GLN 49 HG3 GLN 49 1.709 12.330 12.330
372 1HE2 GLN 49 HE22 GLN 49 4.687 10.169 10.169
373 2HE2 GLN 49 HE21 GLN 49 4.341 11.844 11.844
374 H ILE 50 HN ILE 50 4.758 10.938 10.938
375 HA ILE 50 HA ILE 50 5.841 13.489 13.489
376 HB ILE 50 HB ILE 50 5.830 12.820 12.820
377 1HG1 ILE 50 HG12 ILE 50 6.879 10.217 10.217
378 2HG1 ILE 50 HG13 ILE 50 7.673 11.393 11.393
379 1HG2 ILE 50 HG21 ILE 50 3.544 12.151 12.151
380 2HG2 ILE 50 HG22 ILE 50 4.129 10.471 10.471
381 3HG2 ILE 50 HG23 ILE 50 4.054 11.411 11.411
382 1HD1 ILE 50 HD11 ILE 50 6.072 10.824 10.824
383 2HD1 ILE 50 HD12 ILE 50 5.361 9.571 9.571
384 3HD1 ILE 50 HD13 ILE 50 7.055 9.434 9.434
385 H LYS 51 HN LYS 51 6.360 10.168 10.168
386 HA LYS 51 HA LYS 51 8.989 11.025 11.025
387 1HB LYS 51 HB2 LYS 51 8.793 9.577 9.577
388 2HB LYS 51 HB3 LYS 51 9.022 8.313 8.313
389 1HG LYS 51 HG2 LYS 51 11.094 9.247 9.247
390 2HG LYS 51 HG3 LYS 51 10.777 10.795 10.795
391 1HD LYS 51 HD2 LYS 51 10.666 9.024 9.024
392 2HD LYS 51 HD3 LYS 51 11.933 8.333 8.333
393 1HE LYS 51 HE2 LYS 51 12.907 10.748 10.748
394 2HE LYS 51 HE3 LYS 51 11.808 11.143 11.143
395 1HZ LYS 51 HZ1 LYS 51 12.905 8.947 8.947
396 2HZ LYS 51 HZ2 LYS 51 14.155 9.486 9.486
397 3HZ LYS 51 HZ3 LYS 51 13.527 10.434 10.434
398 H MET 52 HN MET 52 9.894 9.412 9.412
399 HA MET 52 HA MET 52 7.820 7.778 7.778
400 1HB MET 52 HB2 MET 52 8.423 10.371 10.371
401 2HB MET 52 HB3 MET 52 9.330 9.316 9.316
402 1HG MET 52 HG2 MET 52 7.334 8.094 8.094
403 2HG MET 52 HG3 MET 52 6.385 8.831 8.831
404 1HE MET 52 HE3 MET 52 8.928 9.834 9.834
405 2HE MET 52 HE1 MET 52 8.260 11.308 11.308
406 3HE MET 52 HE2 MET 52 8.916 11.363 11.363
407 H PHE 53 HN PHE 53 9.562 6.357 6.357
408 HA PHE 53 HA PHE 53 12.117 6.055 6.055
409 1HB PHE 53 HB2 PHE 53 9.812 4.065 4.065
410 2HB PHE 53 HB3 PHE 53 11.450 3.475 3.475
411 HD1 PHE 53 HD2 PHE 53 13.127 5.090 5.090
412 HD2 PHE 53 HD1 PHE 53 9.136 3.877 3.877
413 HE1 PHE 53 HE2 PHE 53 13.533 5.344 5.344
414 HE2 PHE 53 HE1 PHE 53 9.542 4.132 4.132
415 HZ PHE 53 HZ PHE 53 11.737 4.862 4.862
416 H LYS 54 HN LYS 54 9.835 3.784 3.784
417 HA LYS 54 HA LYS 54 11.302 4.321 4.321
418 1HB LYS 54 HB2 LYS 54 12.030 2.194 2.194
419 2HB LYS 54 HB3 LYS 54 10.428 1.710 1.710
420 1HG LYS 54 HG2 LYS 54 11.101 0.663 0.663
421 2HG LYS 54 HG3 LYS 54 9.630 1.607 1.607
422 1HD LYS 54 HD2 LYS 54 12.001 3.274 3.274
423 2HD LYS 54 HD3 LYS 54 11.970 1.896 1.896
424 1HE LYS 54 HE2 LYS 54 10.157 2.686 2.686
425 2HE LYS 54 HE3 LYS 54 9.319 3.184 3.184
426 1HZ LYS 54 HZ1 LYS 54 11.355 4.911 4.911
427 2HZ LYS 54 HZ2 LYS 54 11.025 4.703 4.703
428 3HZ LYS 54 HZ3 LYS 54 9.853 5.210 5.210
429 H GLY 55 HN GLY 55 9.581 6.032 6.032
430 1HA GLY 55 HA1 GLY 55 7.111 4.804 4.804
431 2HA GLY 55 HA2 GLY 55 7.100 6.265 6.265
432 HA PRO 56 HA PRO 56 7.526 7.551 7.551
433 1HB PRO 56 HB2 PRO 56 5.349 9.200 9.200
434 2HB PRO 56 HB3 PRO 56 5.310 7.524 7.524
435 1HG PRO 56 HG2 PRO 56 4.207 8.739 8.739
436 2HG PRO 56 HG3 PRO 56 3.823 7.191 7.191
437 1HD PRO 56 HD2 PRO 56 5.474 7.645 7.645
438 2HD PRO 56 HD3 PRO 56 5.184 6.111 6.111
439 H GLU 57 HN GLU 57 7.339 9.995 9.995
440 HA GLU 57 HA GLU 57 9.078 11.354 11.354
441 1HB GLU 57 HB2 GLU 57 8.399 12.489 12.489
442 2HB GLU 57 HB3 GLU 57 9.923 12.520 12.520
443 1HG GLU 57 HG2 GLU 57 10.034 9.966 9.966
444 2HG GLU 57 HG3 GLU 57 8.675 10.142 10.142
445 H LYS 58 HN LYS 58 5.843 11.566 11.566
446 HA LYS 58 HA LYS 58 5.391 14.263 14.263
447 1HB LYS 58 HB2 LYS 58 4.250 12.699 12.699
448 2HB LYS 58 HB3 LYS 58 3.160 12.328 12.328
449 1HG LYS 58 HG2 LYS 58 2.077 14.287 14.287
450 2HG LYS 58 HG3 LYS 58 3.544 15.166 15.166
451 1HD LYS 58 HD2 LYS 58 3.182 13.967 13.967
452 2HD LYS 58 HD3 LYS 58 2.405 15.486 15.486
453 1HE LYS 58 HE2 LYS 58 4.992 15.891 15.891
454 2HE LYS 58 HE3 LYS 58 5.279 14.904 14.904
455 1HZ LYS 58 HZ3 LYS 58 3.628 16.547 16.547
456 2HZ LYS 58 HZ1 LYS 58 4.048 17.532 17.532
457 3HZ LYS 58 HZ2 LYS 58 5.188 16.986 16.986
458 H ASP 59 HN ASP 59 3.455 11.420 11.420
459 HA ASP 59 HA ASP 59 4.041 11.080 11.080
460 1HB ASP 59 HB2 ASP 59 4.176 13.454 13.454
461 2HB ASP 59 HB3 ASP 59 2.594 13.758 13.758
462 H ILE 60 HN ILE 60 2.049 10.441 10.441
463 HA ILE 60 HA ILE 60 -0.182 9.806 9.806
464 HB ILE 60 HB ILE 60 0.299 8.406 8.406
465 1HG1 ILE 60 HG12 ILE 60 2.506 8.544 8.544
466 2HG1 ILE 60 HG13 ILE 60 1.912 6.924 6.924
467 1HG2 ILE 60 HG22 ILE 60 -1.733 8.073 8.073
468 2HG2 ILE 60 HG23 ILE 60 -0.627 7.297 7.297
469 3HG2 ILE 60 HG21 ILE 60 -0.833 6.610 6.610
470 1HD1 ILE 60 HD13 ILE 60 1.536 8.424 8.424
471 2HD1 ILE 60 HD11 ILE 60 2.805 7.213 7.213
472 3HD1 ILE 60 HD12 ILE 60 1.091 6.731 6.731
473 H GLU 61 HN GLU 61 0.099 9.969 9.969
474 HA GLU 61 HA GLU 61 -0.919 11.220 11.220
475 1HB GLU 61 HB2 GLU 61 -1.088 12.919 12.919
476 2HB GLU 61 HB3 GLU 61 -2.537 13.099 13.099
477 1HG GLU 61 HG2 GLU 61 -1.418 14.122 14.122
478 2HG GLU 61 HG3 GLU 61 -0.048 13.034 13.034
479 H PHE 62 HN PHE 62 -2.385 9.427 9.427
480 HA PHE 62 HA PHE 62 -4.759 9.101 9.101
481 1HB PHE 62 HB2 PHE 62 -4.534 10.404 10.404
482 2HB PHE 62 HB3 PHE 62 -5.619 9.030 9.030
483 HD1 PHE 62 HD1 PHE 62 -7.383 8.956 8.956
484 HD2 PHE 62 HD2 PHE 62 -5.423 12.458 12.458
485 HE1 PHE 62 HE1 PHE 62 -9.224 10.364 10.364
486 HE2 PHE 62 HE2 PHE 62 -7.263 13.867 13.867
487 HZ PHE 62 HZ PHE 62 -9.142 12.803 12.803
488 H ILE 63 HN ILE 63 -4.158 6.991 6.991
489 HA ILE 63 HA ILE 63 -3.596 5.186 5.186
490 HB ILE 63 HB ILE 63 -3.340 4.365 4.365
491 1HG1 ILE 63 HG12 ILE 63 -2.232 6.784 6.784
492 2HG1 ILE 63 HG13 ILE 63 -1.747 5.805 5.805
493 1HG2 ILE 63 HG23 ILE 63 -1.948 3.759 3.759
494 2HG2 ILE 63 HG21 ILE 63 -1.254 3.295 3.295
495 3HG2 ILE 63 HG22 ILE 63 -2.842 2.661 2.661
496 1HD1 ILE 63 HD11 ILE 63 -0.638 5.266 5.266
497 2HD1 ILE 63 HD12 ILE 63 0.096 6.476 6.476
498 3HD1 ILE 63 HD13 ILE 63 0.031 4.768 4.768
499 H TYR 64 HN TYR 64 -4.525 2.850 2.850
500 HA TYR 64 HA TYR 64 -7.313 3.184 3.184
501 1HB TYR 64 HB2 TYR 64 -7.604 2.825 2.825
502 2HB TYR 64 HB3 TYR 64 -5.964 2.237 2.237
503 HD1 TYR 64 HD2 TYR 64 -5.510 -0.186 -0.186
504 HD2 TYR 64 HD1 TYR 64 -9.377 1.333 1.333
505 HE1 TYR 64 HE2 TYR 64 -6.396 -2.560 -2.560
506 HE2 TYR 64 HE1 TYR 64 -10.249 -1.047 -1.047
507 HH TYR 64 HH TYR 64 -9.674 -3.257 -3.257
508 H THR 65 HN THR 65 -8.303 1.358 1.358
509 HA THR 65 HA THR 65 -6.910 -1.090 -1.090
510 HB THR 65 HB THR 65 -5.511 0.384 0.384
511 HG1 THR 65 HG1 THR 65 -6.177 -1.911 -1.911
512 1HG2 THR 65 HG23 THR 65 -8.243 0.947 0.947
513 2HG2 THR 65 HG21 THR 65 -6.797 0.938 0.938
514 3HG2 THR 65 HG22 THR 65 -6.911 2.086 2.086
515 H ALA 66 HN ALA 66 -8.060 -1.953 -1.953
516 HA ALA 66 HA ALA 66 -10.865 -1.938 -1.938
517 1HB ALA 66 HB2 ALA 66 -8.985 -3.929 -3.929
518 2HB ALA 66 HB3 ALA 66 -10.378 -3.856 -3.856
519 3HB ALA 66 HB1 ALA 66 -10.634 -4.152 -4.152
520 HA PRO 67 HA PRO 67 -12.001 0.235 0.235
521 1HB PRO 67 HB2 PRO 67 -14.564 -0.628 -0.628
522 2HB PRO 67 HB3 PRO 67 -14.135 0.582 0.582
523 1HG PRO 67 HG2 PRO 67 -14.851 -2.257 -2.257
524 2HG PRO 67 HG3 PRO 67 -14.837 -0.949 -0.949
525 1HD PRO 67 HD2 PRO 67 -12.879 -3.027 -3.027
526 2HD PRO 67 HD3 PRO 67 -12.808 -1.654 -1.654
527 H SER 68 HN SER 68 -13.697 -0.373 -0.373
528 HA SER 68 HA SER 68 -13.556 -1.228 -1.228
529 1HB SER 68 HB2 SER 68 -13.358 -3.556 -3.556
530 2HB SER 68 HB3 SER 68 -12.751 -3.883 -3.883
531 HG SER 68 HG SER 68 -15.346 -3.658 -3.658
532 H SER 69 HN SER 69 -11.940 -2.955 -2.955
533 HA SER 69 HA SER 69 -9.725 -1.519 -1.519
534 1HB SER 69 HB2 SER 69 -8.820 -3.909 -3.909
535 2HB SER 69 HB3 SER 69 -10.116 -3.081 -3.081
536 HG SER 69 HG SER 69 -10.175 -5.453 -5.453
537 H ALA 70 HN ALA 70 -10.090 -4.302 -4.302
538 HA ALA 70 HA ALA 70 -8.501 -3.539 -3.539
539 1HB ALA 70 HB3 ALA 70 -6.848 -4.107 -4.107
540 2HB ALA 70 HB1 ALA 70 -6.317 -4.947 -4.947
541 3HB ALA 70 HB2 ALA 70 -6.460 -3.173 -3.173
542 H VAL 71 HN VAL 71 -9.612 -4.934 -4.934
543 HA VAL 71 HA VAL 71 -9.591 -7.760 -7.760
544 HB VAL 71 HB VAL 71 -11.680 -7.967 -7.967
545 1HG1 VAL 71 HG11 VAL 71 -11.812 -6.102 -6.102
546 2HG1 VAL 71 HG12 VAL 71 -11.605 -4.941 -4.941
547 3HG1 VAL 71 HG13 VAL 71 -13.058 -5.966 -5.966
548 1HG2 VAL 71 HG22 VAL 71 -10.758 -6.151 -6.151
549 2HG2 VAL 71 HG23 VAL 71 -11.496 -7.769 -7.769
550 3HG2 VAL 71 HG21 VAL 71 -12.506 -6.347 -6.347
551 H CYS 72 HN CYS 72 -8.922 -5.376 -5.376
552 HA CYS 72 HA CYS 72 -7.403 -7.491 -7.491
553 1HB CYS 72 HB2 CYS 72 -8.926 -5.344 -5.344
554 2HB CYS 72 HB3 CYS 72 -8.057 -6.705 -6.705
555 H GLY 73 HN GLY 73 -6.897 -5.200 -5.200
556 1HA GLY 73 HA1 GLY 73 -4.528 -4.184 -4.184
557 2HA GLY 73 HA2 GLY 73 -5.752 -2.963 -2.963
558 H VAL 74 HN VAL 74 -4.285 -1.907 -1.907
559 HA VAL 74 HA VAL 74 -4.106 -3.364 -3.364
560 HB VAL 74 HB VAL 74 -2.280 -1.311 -1.311
561 1HG1 VAL 74 HG11 VAL 74 -2.342 -2.393 -2.393
562 2HG1 VAL 74 HG12 VAL 74 -0.896 -1.651 -1.651
563 3HG1 VAL 74 HG13 VAL 74 -2.385 -0.695 -0.695
564 1HG2 VAL 74 HG23 VAL 74 -2.280 -3.977 -3.977
565 2HG2 VAL 74 HG21 VAL 74 -0.797 -2.992 -2.992
566 3HG2 VAL 74 HG22 VAL 74 -1.282 -3.904 -3.904
567 H SER 75 HN SER 75 -5.804 -1.028 -1.028
568 HA SER 75 HA SER 75 -6.760 0.903 0.903
569 1HB SER 75 HB2 SER 75 -7.901 -1.325 -1.325
570 2HB SER 75 HB3 SER 75 -7.846 -0.132 -0.132
571 HG SER 75 HG SER 75 -9.377 -0.168 -0.168
572 H LEU 76 HN LEU 76 -4.934 2.295 2.295
573 HA LEU 76 HA LEU 76 -4.297 2.527 2.527
574 1HB LEU 76 HB2 LEU 76 -2.725 3.987 3.987
575 2HB LEU 76 HB3 LEU 76 -2.212 3.203 3.203
576 HG LEU 76 HG LEU 76 -2.921 1.027 1.027
577 1HD1 LEU 76 HD12 LEU 76 -3.102 3.006 3.006
578 2HD1 LEU 76 HD13 LEU 76 -1.449 2.391 2.391
579 3HD1 LEU 76 HD11 LEU 76 -2.835 1.276 1.276
580 1HD2 LEU 76 HD23 LEU 76 -0.534 2.258 2.258
581 2HD2 LEU 76 HD21 LEU 76 -0.836 0.542 0.542
582 3HD2 LEU 76 HD22 LEU 76 -0.222 1.630 1.630
583 H ASP 77 HN ASP 77 -4.830 4.342 4.342
584 HA ASP 77 HA ASP 77 -6.202 6.390 6.390
585 1HB ASP 77 HB2 ASP 77 -7.058 6.901 6.901
586 2HB ASP 77 HB3 ASP 77 -7.862 5.744 5.744
587 H VAL 78 HN VAL 78 -3.388 5.591 5.591
588 HA VAL 78 HA VAL 78 -1.625 6.816 6.816
589 HB VAL 78 HB VAL 78 -3.314 8.817 8.817
590 1HG1 VAL 78 HG11 VAL 78 -1.530 9.573 9.573
591 2HG1 VAL 78 HG12 VAL 78 -1.531 10.604 10.604
592 3HG1 VAL 78 HG13 VAL 78 -3.047 10.315 10.315
593 1HG2 VAL 78 HG23 VAL 78 -0.773 7.500 7.500
594 2HG2 VAL 78 HG21 VAL 78 -1.712 8.453 8.453
595 3HG2 VAL 78 HG22 VAL 78 -0.552 9.264 9.264
596 H GLY 79 HN GLY 79 -4.833 8.041 8.041
597 1HA GLY 79 HA1 GLY 79 -4.047 9.249 9.249
598 2HA GLY 79 HA2 GLY 79 -5.610 8.525 8.525
599 H GLY 80 HN GLY 80 -3.768 5.933 5.933
600 1HA GLY 80 HA1 GLY 80 -3.596 5.128 5.128
601 2HA GLY 80 HA2 GLY 80 -4.189 4.083 4.083
602 H LYS 81 HN LYS 81 -2.209 5.059 5.059
603 HA LYS 81 HA LYS 81 0.096 3.600 3.600
604 1HB LYS 81 HB2 LYS 81 0.364 3.827 3.827
605 2HB LYS 81 HB3 LYS 81 -0.095 2.404 2.404
606 1HG LYS 81 HG2 LYS 81 -2.100 4.528 4.528
607 2HG LYS 81 HG3 LYS 81 -1.730 3.106 3.106
608 1HD LYS 81 HD2 LYS 81 -2.860 1.678 1.678
609 2HD LYS 81 HD3 LYS 81 -2.386 2.559 2.559
610 1HE LYS 81 HE2 LYS 81 -4.397 3.606 3.606
611 2HE LYS 81 HE3 LYS 81 -4.092 4.299 4.299
612 1HZ LYS 81 HZ1 LYS 81 -4.928 1.522 1.522
613 2HZ LYS 81 HZ2 LYS 81 -6.053 2.683 2.683
614 3HZ LYS 81 HZ3 LYS 81 -5.212 2.628 2.628
615 H LYS 82 HN LYS 82 0.274 5.609 5.609
616 HA LYS 82 HA LYS 82 0.935 8.045 8.045
617 1HB LYS 82 HB2 LYS 82 3.491 7.893 7.893
618 2HB LYS 82 HB3 LYS 82 2.554 7.388 7.388
619 1HG LYS 82 HG2 LYS 82 2.787 5.067 5.067
620 2HG LYS 82 HG3 LYS 82 4.371 5.815 5.815
621 1HD LYS 82 HD2 LYS 82 4.799 5.093 5.093
622 2HD LYS 82 HD3 LYS 82 3.395 5.946 5.946
623 1HE LYS 82 HE2 LYS 82 2.004 4.062 4.062
624 2HE LYS 82 HE3 LYS 82 2.922 3.348 3.348
625 1HZ LYS 82 HZ1 LYS 82 4.569 3.565 3.565
626 2HZ LYS 82 HZ2 LYS 82 3.176 2.853 2.853
627 3HZ LYS 82 HZ3 LYS 82 4.053 2.209 2.209
628 H GLU 83 HN GLU 83 3.139 5.786 5.786
629 HA GLU 83 HA GLU 83 2.090 6.786 6.786
630 1HB GLU 83 HB2 GLU 83 5.070 7.112 7.112
631 2HB GLU 83 HB3 GLU 83 4.102 7.771 7.771
632 1HG GLU 83 HG2 GLU 83 4.346 9.649 9.649
633 2HG GLU 83 HG3 GLU 83 2.797 9.027 9.027
634 H TYR 84 HN TYR 84 3.110 5.598 5.598
635 HA TYR 84 HA TYR 84 4.483 3.147 3.147
636 1HB TYR 84 HB2 TYR 84 2.715 1.900 1.900
637 2HB TYR 84 HB3 TYR 84 2.056 2.613 2.613
638 HD1 TYR 84 HD2 TYR 84 2.703 3.730 3.730
639 HD2 TYR 84 HD1 TYR 84 -0.023 3.592 3.592
640 HE1 TYR 84 HE2 TYR 84 0.960 4.963 4.963
641 HE2 TYR 84 HE1 TYR 84 -1.757 4.825 4.825
642 HH TYR 84 HH TYR 84 -1.672 5.033 5.033
643 H LEU 85 HN LEU 85 5.512 2.066 2.066
644 HA LEU 85 HA LEU 85 6.254 3.969 3.969
645 1HB LEU 85 HB2 LEU 85 7.862 2.208 2.208
646 2HB LEU 85 HB3 LEU 85 8.016 2.763 2.763
647 HG LEU 85 HG LEU 85 8.175 0.214 0.214
648 1HD1 LEU 85 HD11 LEU 85 7.441 1.692 1.692
649 2HD1 LEU 85 HD12 LEU 85 6.567 0.141 0.141
650 3HD1 LEU 85 HD13 LEU 85 8.342 0.162 0.162
651 1HD2 LEU 85 HD21 LEU 85 6.053 0.072 0.072
652 2HD2 LEU 85 HD22 LEU 85 6.057 -0.989 -0.989
653 3HD2 LEU 85 HD23 LEU 85 5.176 0.557 0.557
654 H ILE 86 HN ILE 86 3.580 2.120 2.120
655 HA ILE 86 HA ILE 86 2.572 0.578 0.578
656 HB ILE 86 HB ILE 86 2.031 3.410 3.410
657 1HG1 ILE 86 HG12 ILE 86 -0.215 2.704 2.704
658 2HG1 ILE 86 HG13 ILE 86 0.092 1.120 1.120
659 1HG2 ILE 86 HG21 ILE 86 1.669 1.871 1.871
660 2HG2 ILE 86 HG22 ILE 86 0.466 3.095 3.095
661 3HG2 ILE 86 HG23 ILE 86 2.171 3.561 3.561
662 1HD1 ILE 86 HD13 ILE 86 1.919 1.659 1.659
663 2HD1 ILE 86 HD11 ILE 86 0.218 1.824 1.824
664 3HD1 ILE 86 HD12 ILE 86 0.789 0.302 0.302
665 H ALA 87 HN ALA 87 3.780 -0.795 -0.795
666 HA ALA 87 HA ALA 87 4.725 0.348 0.348
667 1HB ALA 87 HB3 ALA 87 6.123 -1.275 -1.275
668 2HB ALA 87 HB1 ALA 87 6.381 -1.777 -1.777
669 3HB ALA 87 HB2 ALA 87 6.777 -0.117 -0.117
670 H GLY 88 HN GLY 88 3.278 -0.349 -0.349
671 1HA GLY 88 HA1 GLY 88 2.706 -3.235 -3.235
672 2HA GLY 88 HA2 GLY 88 1.377 -2.091 -2.091
673 H LYS 89 HN LYS 89 1.713 -3.855 -3.855
674 HA LYS 89 HA LYS 89 3.282 -3.259 -3.259
675 1HB LYS 89 HB2 LYS 89 1.504 -5.018 -5.018
676 2HB LYS 89 HB3 LYS 89 0.304 -3.787 -3.787
677 1HG LYS 89 HG2 LYS 89 0.896 -3.628 -3.628
678 2HG LYS 89 HG3 LYS 89 2.608 -3.783 -3.783
679 1HD LYS 89 HD2 LYS 89 1.747 -6.311 -6.311
680 2HD LYS 89 HD3 LYS 89 0.588 -5.905 -5.905
681 1HE LYS 89 HE2 LYS 89 3.275 -5.091 -5.091
682 2HE LYS 89 HE3 LYS 89 3.273 -6.781 -6.781
683 1HZ LYS 89 HZ2 LYS 89 1.296 -5.622 -5.622
684 2HZ LYS 89 HZ3 LYS 89 2.674 -6.343 -6.343
685 3HZ LYS 89 HZ1 LYS 89 1.546 -7.206 -7.206
686 H ALA 90 HN ALA 90 0.661 -1.253 -1.253
687 HA ALA 90 HA ALA 90 0.390 0.962 0.962
688 1HB ALA 90 HB3 ALA 90 2.864 0.875 0.875
689 2HB ALA 90 HB1 ALA 90 2.122 1.009 1.009
690 3HB ALA 90 HB2 ALA 90 1.854 2.285 2.285
691 H GLU 91 HN GLU 91 -0.390 2.501 2.501
692 HA GLU 91 HA GLU 91 -1.933 0.780 0.780
693 1HB GLU 91 HB2 GLU 91 -3.222 1.655 1.655
694 2HB GLU 91 HB3 GLU 91 -3.221 3.201 3.201
695 1HG GLU 91 HG2 GLU 91 -4.367 0.585 0.585
696 2HG GLU 91 HG3 GLU 91 -5.290 1.969 1.969
697 H GLY 92 HN GLY 92 -0.716 4.066 4.066
698 1HA GLY 92 HA1 GLY 92 0.286 4.610 4.610
699 2HA GLY 92 HA2 GLY 92 -1.332 5.279 5.279
700 H ASP 93 HN ASP 93 -0.709 7.480 7.480
701 HA ASP 93 HA ASP 93 1.004 8.276 8.276
702 1HB ASP 93 HB2 ASP 93 0.729 9.112 9.112
703 2HB ASP 93 HB3 ASP 93 0.130 10.447 10.447
704 H GLY 94 HN GLY 94 0.062 9.302 9.302
705 1HA GLY 94 HA1 GLY 94 -1.376 10.720 10.720
706 2HA GLY 94 HA2 GLY 94 -2.392 10.825 10.825
707 H LYS 95 HN LYS 95 -1.765 7.570 7.570
708 HA LYS 95 HA LYS 95 -3.397 6.836 6.836
709 1HB LYS 95 HB2 LYS 95 -5.155 5.827 5.827
710 2HB LYS 95 HB3 LYS 95 -5.388 7.343 7.343
711 1HG LYS 95 HG2 LYS 95 -5.775 7.603 7.603
712 2HG LYS 95 HG3 LYS 95 -4.444 8.605 8.605
713 1HD LYS 95 HD2 LYS 95 -2.848 6.755 6.755
714 2HD LYS 95 HD3 LYS 95 -4.220 5.904 5.904
715 1HE LYS 95 HE2 LYS 95 -4.005 8.760 8.760
716 2HE LYS 95 HE3 LYS 95 -2.682 7.747 7.747
717 1HZ LYS 95 HZ1 LYS 95 -5.279 6.582 6.582
718 2HZ LYS 95 HZ2 LYS 95 -5.025 7.916 7.916
719 3HZ LYS 95 HZ3 LYS 95 -4.024 6.633 6.633
720 H MET 96 HN MET 96 -3.138 4.647 4.647
721 HA MET 96 HA MET 96 -1.910 3.077 3.077
722 1HB MET 96 HB2 MET 96 -0.795 2.465 2.465
723 2HB MET 96 HB3 MET 96 0.059 2.811 2.811
724 1HG MET 96 HG2 MET 96 -0.710 5.323 5.323
725 2HG MET 96 HG3 MET 96 -0.879 4.740 4.740
726 1HE MET 96 HE2 MET 96 0.678 3.848 3.848
727 2HE MET 96 HE3 MET 96 2.449 4.019 4.019
728 3HE MET 96 HE1 MET 96 1.426 5.457 5.457
729 H HIS 97 HN HIS 97 -1.367 0.820 0.820
730 HA HIS 97 HA HIS 97 -3.997 0.218 0.218
731 1HB HIS 97 HB2 HIS 97 -2.891 -0.915 -0.915
732 2HB HIS 97 HB3 HIS 97 -3.351 -2.138 -2.138
733 HD1 HIS 97 HD1 HIS 97 -5.157 -2.558 -2.558
734 HD2 HIS 97 HD2 HIS 97 -5.763 0.763 0.763
735 HE1 HIS 97 HE1 HIS 97 -7.589 -1.856 -1.856
736 H ILE 98 HN ILE 98 -3.772 -0.696 -0.696
737 HA ILE 98 HA ILE 98 -1.392 -2.316 -2.316
738 HB ILE 98 HB ILE 98 -0.805 -1.188 -1.188
739 1HG1 ILE 98 HG12 ILE 98 -3.448 0.192 0.192
740 2HG1 ILE 98 HG13 ILE 98 -2.751 -0.579 -0.579
741 1HG2 ILE 98 HG22 ILE 98 -0.384 -0.131 -0.131
742 2HG2 ILE 98 HG23 ILE 98 -1.262 1.223 1.223
743 3HG2 ILE 98 HG21 ILE 98 0.228 0.604 0.604
744 1HD1 ILE 98 HD11 ILE 98 -1.013 1.589 1.589
745 2HD1 ILE 98 HD12 ILE 98 -2.682 2.188 2.188
746 3HD1 ILE 98 HD13 ILE 98 -1.882 1.389 1.389
747 H THR 99 HN THR 99 -1.717 -4.006 -4.006
748 HA THR 99 HA THR 99 -4.341 -4.144 -4.144
749 HB THR 99 HB THR 99 -4.145 -6.685 -6.685
750 HG1 THR 99 HG1 THR 99 -3.005 -4.760 -4.760
751 1HG2 THR 99 HG22 THR 99 -5.579 -4.253 -4.253
752 2HG2 THR 99 HG23 THR 99 -5.190 -5.251 -5.251
753 3HG2 THR 99 HG21 THR 99 -6.126 -5.946 -5.946
754 H LEU 100 HN LEU 100 -4.453 -6.016 -6.016
755 HA LEU 100 HA LEU 100 -2.296 -5.824 -5.824
756 1HB LEU 100 HB2 LEU 100 -3.536 -7.098 -7.098
757 2HB LEU 100 HB3 LEU 100 -4.783 -6.468 -6.468
758 HG LEU 100 HG LEU 100 -3.531 -9.170 -9.170
759 1HD1 LEU 100 HD13 LEU 100 -5.745 -8.462 -8.462
760 2HD1 LEU 100 HD11 LEU 100 -5.590 -10.080 -10.080
761 3HD1 LEU 100 HD12 LEU 100 -4.279 -9.429 -9.429
762 1HD2 LEU 100 HD23 LEU 100 -5.416 -7.590 -7.590
763 2HD2 LEU 100 HD21 LEU 100 -4.927 -9.269 -9.269
764 3HD2 LEU 100 HD22 LEU 100 -6.319 -8.940 -8.940
765 H CYS 101 HN CYS 101 -3.261 -8.453 -8.453
766 HA CYS 101 HA CYS 101 -1.145 -10.135 -10.135
767 1HB CYS 101 HB2 CYS 101 -3.299 -10.604 -10.604
768 2HB CYS 101 HB3 CYS 101 -2.420 -10.009 -10.009
769 H ASP 102 HN ASP 102 -1.246 -7.060 -7.060
770 HA ASP 102 HA ASP 102 1.068 -7.584 -7.584
771 1HB ASP 102 HB2 ASP 102 -1.041 -5.966 -5.966
772 2HB ASP 102 HB3 ASP 102 -0.055 -4.821 -4.821
773 H PHE 103 HN PHE 103 2.916 -5.822 -5.822
774 HA PHE 103 HA PHE 103 3.855 -5.880 -5.880
775 1HB PHE 103 HB2 PHE 103 5.414 -5.951 -5.951
776 2HB PHE 103 HB3 PHE 103 4.639 -4.594 -4.594
777 HD1 PHE 103 HD2 PHE 103 5.229 -4.306 -4.306
778 HD2 PHE 103 HD1 PHE 103 6.892 -3.602 -3.602
779 HE1 PHE 103 HE2 PHE 103 6.917 -2.749 -2.749
780 HE2 PHE 103 HE1 PHE 103 8.579 -2.046 -2.046
781 HZ PHE 103 HZ PHE 103 8.571 -1.639 -1.639
782 H ILE 104 HN ILE 104 3.226 -4.558 -4.558
783 HA ILE 104 HA ILE 104 3.210 -1.745 -1.745
784 HB ILE 104 HB ILE 104 0.755 -1.610 -1.610
785 1HG1 ILE 104 HG12 ILE 104 0.663 -4.248 -4.248
786 2HG1 ILE 104 HG13 ILE 104 0.471 -4.064 -4.064
787 1HG2 ILE 104 HG23 ILE 104 2.000 -1.156 -1.156
788 2HG2 ILE 104 HG21 ILE 104 0.691 -2.266 -2.266
789 3HG2 ILE 104 HG22 ILE 104 0.309 -0.748 -0.748
790 1HD1 ILE 104 HD13 ILE 104 -1.415 -2.328 -2.328
791 2HD1 ILE 104 HD11 ILE 104 -1.377 -3.158 -3.158
792 3HD1 ILE 104 HD12 ILE 104 -1.759 -4.072 -4.072
793 H VAL 105 HN VAL 105 3.718 -0.770 -0.770
794 HA VAL 105 HA VAL 105 2.999 -2.044 -2.044
795 HB VAL 105 HB VAL 105 5.739 -1.668 -1.668
796 1HG1 VAL 105 HG11 VAL 105 3.940 -3.473 -3.473
797 2HG1 VAL 105 HG12 VAL 105 4.681 -4.412 -4.412
798 3HG1 VAL 105 HG13 VAL 105 5.686 -3.819 -3.819
799 1HG2 VAL 105 HG22 VAL 105 5.199 -3.142 -3.142
800 2HG2 VAL 105 HG23 VAL 105 6.133 -1.641 -1.641
801 3HG2 VAL 105 HG21 VAL 105 6.742 -3.169 -3.169
802 HA PRO 106 HA PRO 106 3.215 2.089 2.089
803 1HB PRO 106 HB2 PRO 106 3.595 1.893 1.893
804 2HB PRO 106 HB3 PRO 106 2.036 1.668 1.668
805 1HG PRO 106 HG2 PRO 106 3.863 -0.369 -0.369
806 2HG PRO 106 HG3 PRO 106 2.156 -0.511 -0.511
807 1HD PRO 106 HD2 PRO 106 4.343 -1.550 -1.550
808 2HD PRO 106 HD3 PRO 106 2.645 -1.591 -1.591
809 H TRP 107 HN TRP 107 5.864 0.319 0.319
810 HA TRP 107 HA TRP 107 7.978 0.960 0.960
811 1HB TRP 107 HB2 TRP 107 6.893 3.264 3.264
812 2HB TRP 107 HB3 TRP 107 7.442 3.684 3.684
813 HD1 TRP 107 HD1 TRP 107 9.287 1.889 1.889
814 HE1 TRP 107 HE1 TRP 107 11.647 2.996 2.996
815 HE3 TRP 107 HE3 TRP 107 8.851 5.421 5.421
816 HZ2 TRP 107 HZ2 TRP 107 13.035 5.175 5.175
817 HZ3 TRP 107 HZ3 TRP 107 10.754 6.999 6.999
818 HH2 TRP 107 HH2 TRP 107 12.793 6.917 6.917
819 H ASP 108 HN ASP 108 6.609 2.506 2.506
820 HA ASP 108 HA ASP 108 8.902 1.939 1.939
821 1HB ASP 108 HB2 ASP 108 6.902 3.633 3.633
822 2HB ASP 108 HB3 ASP 108 6.139 2.285 2.285
823 H THR 109 HN THR 109 8.424 -0.480 -0.480
824 HA THR 109 HA THR 109 7.876 -2.197 -2.197
825 HB THR 109 HB THR 109 6.024 -3.421 -3.421
826 HG1 THR 109 HG1 THR 109 6.047 -2.530 -2.530
827 1HG2 THR 109 HG22 THR 109 5.539 -1.697 -1.697
828 2HG2 THR 109 HG23 THR 109 5.306 -0.506 -0.506
829 3HG2 THR 109 HG21 THR 109 4.241 -1.929 -1.929
830 H LEU 110 HN LEU 110 7.970 -2.231 -2.231
831 HA LEU 110 HA LEU 110 8.859 -4.054 -4.054
832 1HB LEU 110 HB2 LEU 110 11.126 -2.266 -2.266
833 2HB LEU 110 HB3 LEU 110 11.178 -3.359 -3.359
834 HG LEU 110 HG LEU 110 9.332 -0.974 -0.974
835 1HD1 LEU 110 HD13 LEU 110 11.688 -0.358 -0.358
836 2HD1 LEU 110 HD11 LEU 110 11.733 -1.367 -1.367
837 3HD1 LEU 110 HD12 LEU 110 10.673 0.063 0.063
838 1HD2 LEU 110 HD22 LEU 110 9.449 -3.202 -3.202
839 2HD2 LEU 110 HD23 LEU 110 8.057 -2.278 -2.278
840 3HD2 LEU 110 HD21 LEU 110 9.130 -1.562 -1.562
841 H SER 111 HN SER 111 11.917 -3.832 -3.832
842 HA SER 111 HA SER 111 11.966 -5.324 -5.324
843 1HB SER 111 HB2 SER 111 11.018 -7.077 -7.077
844 2HB SER 111 HB3 SER 111 12.225 -7.772 -7.772
845 HG SER 111 HG SER 111 10.776 -7.061 -7.061
846 H THR 112 HN THR 112 13.056 -5.498 -5.498
847 HA THR 112 HA THR 112 15.528 -4.568 -4.568
848 HB THR 112 HB THR 112 15.344 -7.226 -7.226
849 HG1 THR 112 HG1 THR 112 17.262 -5.010 -5.010
850 1HG2 THR 112 HG23 THR 112 17.388 -6.588 -6.588
851 2HG2 THR 112 HG21 THR 112 17.939 -7.378 -7.378
852 3HG2 THR 112 HG22 THR 112 16.717 -8.167 -8.167
853 H THR 113 HN THR 113 14.571 -7.912 -7.912
854 HA THR 113 HA THR 113 15.776 -7.829 -7.829
855 HB THR 113 HB THR 113 13.411 -9.263 -9.263
856 HG1 THR 113 HG1 THR 113 15.960 -9.906 -9.906
857 1HG2 THR 113 HG21 THR 113 12.931 -8.888 -8.888
858 2HG2 THR 113 HG22 THR 113 14.426 -9.802 -9.802
859 3HG2 THR 113 HG23 THR 113 13.062 -10.584 -10.584
860 H GLN 114 HN GLN 114 12.948 -6.058 -6.058
861 HA GLN 114 HA GLN 114 12.114 -5.571 -5.571
862 1HB GLN 114 HB2 GLN 114 11.117 -4.341 -4.341
863 2HB GLN 114 HB3 GLN 114 10.328 -4.217 -4.217
864 1HG GLN 114 HG2 GLN 114 9.149 -6.026 -6.026
865 2HG GLN 114 HG3 GLN 114 10.473 -6.900 -6.900
866 1HE2 GLN 114 HE22 GLN 114 12.024 -7.957 -7.957
867 2HE2 GLN 114 HE21 GLN 114 12.174 -7.693 -7.693
868 H LYS 115 HN LYS 115 14.000 -4.020 -4.020
869 HA LYS 115 HA LYS 115 13.995 -1.441 -1.441
870 1HB LYS 115 HB2 LYS 115 15.033 -2.731 -2.731
871 2HB LYS 115 HB3 LYS 115 16.241 -1.682 -1.682
872 1HG LYS 115 HG2 LYS 115 14.978 0.245 0.245
873 2HG LYS 115 HG3 LYS 115 13.448 -0.590 -0.590
874 1HD LYS 115 HD2 LYS 115 15.268 -0.554 -0.554
875 2HD LYS 115 HD3 LYS 115 13.619 0.028 0.028
876 1HE LYS 115 HE2 LYS 115 13.034 -2.471 -2.471
877 2HE LYS 115 HE3 LYS 115 14.602 -2.844 -2.844
878 1HZ LYS 115 HZ3 LYS 115 13.780 -1.479 -1.479
879 2HZ LYS 115 HZ1 LYS 115 12.285 -1.668 -1.668
880 3HZ LYS 115 HZ2 LYS 115 13.159 -2.976 -2.976
881 H LYS 116 HN LYS 116 16.164 -4.316 -4.316
882 HA LYS 116 HA LYS 116 18.214 -3.078 -3.078
883 1HB LYS 116 HB2 LYS 116 19.094 -5.259 -5.259
884 2HB LYS 116 HB3 LYS 116 18.332 -5.232 -5.232
885 1HG LYS 116 HG2 LYS 116 17.177 -7.077 -7.077
886 2HG LYS 116 HG3 LYS 116 16.235 -6.017 -6.017
887 1HD LYS 116 HD2 LYS 116 18.878 -6.890 -6.890
888 2HD LYS 116 HD3 LYS 116 17.672 -8.150 -8.150
889 1HE LYS 116 HE2 LYS 116 16.699 -7.428 -7.428
890 2HE LYS 116 HE3 LYS 116 16.275 -5.934 -5.934
891 1HZ LYS 116 HZ2 LYS 116 18.993 -5.961 -5.961
892 2HZ LYS 116 HZ3 LYS 116 18.017 -6.202 -6.202
893 3HZ LYS 116 HZ1 LYS 116 17.829 -4.872 -4.872
894 H SER 117 HN SER 117 14.995 -4.086 -4.086
895 HA SER 117 HA SER 117 15.684 -4.312 -4.312
896 1HB SER 117 HB2 SER 117 13.612 -5.299 -5.299
897 2HB SER 117 HB3 SER 117 12.817 -4.138 -4.138
898 HG SER 117 HG SER 117 14.579 -5.669 -5.669
899 H LEU 118 HN LEU 118 14.930 -1.842 -1.842
900 HA LEU 118 HA LEU 118 13.500 -0.136 -0.136
901 1HB LEU 118 HB2 LEU 118 14.417 -0.103 -0.103
902 2HB LEU 118 HB3 LEU 118 14.413 1.465 1.465
903 HG LEU 118 HG LEU 118 11.939 0.032 0.032
904 1HD1 LEU 118 HD12 LEU 118 12.406 -1.057 -1.057
905 2HD1 LEU 118 HD13 LEU 118 12.603 0.535 0.535
906 3HD1 LEU 118 HD11 LEU 118 11.019 0.052 0.052
907 1HD2 LEU 118 HD21 LEU 118 12.779 2.631 2.631
908 2HD2 LEU 118 HD22 LEU 118 11.081 2.098 2.098
909 3HD2 LEU 118 HD23 LEU 118 11.865 2.469 2.469
910 H ASN 119 HN ASN 119 16.785 -1.092 -1.092
911 HA ASN 119 HA ASN 119 17.947 1.365 1.365
912 1HB ASN 119 HB2 ASN 119 19.033 -1.495 -1.495
913 2HB ASN 119 HB3 ASN 119 20.009 -0.050 -0.050
914 1HD2 ASN 119 HD21 ASN 119 19.628 -2.383 -2.383
915 2HD2 ASN 119 HD22 ASN 119 19.684 -1.619 -1.619
916 H HIS 120 HN HIS 120 17.176 -1.773 -1.773
917 HA HIS 120 HA HIS 120 18.212 -1.152 -1.152
918 1HB HIS 120 HB2 HIS 120 16.972 -2.985 -2.985
919 2HB HIS 120 HB3 HIS 120 17.401 -3.380 -3.380
920 HD1 HIS 120 HD1 HIS 120 15.478 -4.848 -4.848
921 HD2 HIS 120 HD2 HIS 120 14.199 -1.276 -1.276
922 HE1 HIS 120 HE1 HIS 120 12.942 -4.780 -4.780
923 H ARG 121 HN ARG 121 17.121 -0.506 -0.506
924 HA ARG 121 HA ARG 121 15.575 1.790 1.790
925 1HB ARG 121 HB2 ARG 121 17.045 0.592 0.592
926 2HB ARG 121 HB3 ARG 121 15.442 0.984 0.984
927 1HG ARG 121 HG2 ARG 121 17.246 2.838 2.838
928 2HG ARG 121 HG3 ARG 121 15.684 3.300 3.300
929 1HD ARG 121 HD2 ARG 121 16.555 3.787 3.787
930 2HD ARG 121 HD3 ARG 121 17.492 2.307 2.307
931 HE ARG 121 HE ARG 121 19.349 3.542 3.542
932 1HH1 ARG 121 HH22 ARG 121 16.452 5.206 5.206
933 2HH1 ARG 121 HH21 ARG 121 17.321 6.552 6.552
934 1HH2 ARG 121 HH12 ARG 121 20.496 5.317 5.317
935 2HH2 ARG 121 HH11 ARG 121 19.637 6.616 6.616
936 H TYR 122 HN TYR 122 14.942 -1.499 -1.499
937 HA TYR 122 HA TYR 122 12.309 -1.579 -1.579
938 1HB TYR 122 HB2 TYR 122 11.586 -0.050 -0.050
939 2HB TYR 122 HB3 TYR 122 12.935 -0.428 -0.428
940 HD1 TYR 122 HD2 TYR 122 10.422 -2.772 -2.772
941 HD2 TYR 122 HD1 TYR 122 11.926 -0.907 -0.907
942 HE1 TYR 122 HE2 TYR 122 8.908 -4.238 -4.238
943 HE2 TYR 122 HE1 TYR 122 10.407 -2.379 -2.379
944 HH TYR 122 HH TYR 122 8.031 -3.608 -3.608
945 H GLN 123 HN GLN 123 13.010 -3.675 -3.675
946 HA GLN 123 HA GLN 123 13.280 -5.817 -5.817
947 1HB GLN 123 HB2 GLN 123 11.231 -5.858 -5.858
948 2HB GLN 123 HB3 GLN 123 12.060 -5.334 -5.334
949 1HG GLN 123 HG2 GLN 123 13.461 -7.656 -7.656
950 2HG GLN 123 HG3 GLN 123 11.769 -8.038 -8.038
951 1HE2 GLN 123 HE22 GLN 123 12.855 -8.929 -8.929
952 2HE2 GLN 123 HE21 GLN 123 13.425 -9.275 -9.275
953 H MET 124 HN MET 124 15.648 -4.985 -4.985
954 HA MET 124 HA MET 124 17.087 -5.049 -5.049
955 1HB MET 124 HB2 MET 124 17.608 -4.756 -4.756
956 2HB MET 124 HB3 MET 124 18.945 -5.465 -5.465
957 1HG MET 124 HG2 MET 124 17.592 -2.963 -2.963
958 2HG MET 124 HG3 MET 124 18.781 -2.835 -2.835
959 1HE MET 124 HE3 MET 124 17.848 -2.956 -2.956
960 2HE MET 124 HE1 MET 124 19.361 -2.634 -2.634
961 3HE MET 124 HE2 MET 124 18.731 -4.295 -4.295
962 H GLY 125 HN GLY 125 15.761 -7.324 -7.324
963 1HA GLY 125 HA1 GLY 125 15.934 -9.539 -9.539
964 2HA GLY 125 HA2 GLY 125 17.670 -9.300 -9.300
965 H CYS 126 HN CYS 126 15.768 -8.398 -8.398
966 HA CYS 126 HA CYS 126 17.310 -9.999 -9.999
967 1HB CYS 126 HB2 CYS 126 16.175 -9.045 -9.045
968 2HB CYS 126 HB3 CYS 126 15.825 -7.882 -7.882
969 H GLU 127 HN GLU 127 15.523 -11.332 -11.332
970 HA GLU 127 HA GLU 127 13.611 -12.857 -12.857
971 1HB GLU 127 HB2 GLU 127 15.587 -13.771 -13.771
972 2HB GLU 127 HB3 GLU 127 16.278 -14.316 -14.316
973 1HG GLU 127 HG2 GLU 127 15.146 -16.259 -16.259
974 2HG GLU 127 HG3 GLU 127 13.740 -15.389 -15.389
Start of MODEL 38
1 H CYS 1 HN CYS 1 -7.496 -8.567 -8.567
2 HA CYS 1 HA CYS 1 -9.558 -9.640 -9.640
3 1HB CYS 1 HB2 CYS 1 -8.069 -11.012 -11.012
4 2HB CYS 1 HB3 CYS 1 -9.768 -11.257 -11.257
5 H SER 2 HN SER 2 -8.401 -10.355 -10.355
6 HA SER 2 HA SER 2 -8.082 -11.911 -11.911
7 1HB SER 2 HB2 SER 2 -8.948 -14.354 -14.354
8 2HB SER 2 HB3 SER 2 -9.830 -13.335 -13.335
9 HG SER 2 HG SER 2 -10.461 -12.040 -12.040
10 H CYS 3 HN CYS 3 -6.272 -11.557 -11.557
11 HA CYS 3 HA CYS 3 -4.992 -14.035 -14.035
12 1HB CYS 3 HB2 CYS 3 -3.541 -11.474 -11.474
13 2HB CYS 3 HB3 CYS 3 -3.565 -12.949 -12.949
14 H SER 4 HN SER 4 -2.564 -14.327 -14.327
15 HA SER 4 HA SER 4 -2.273 -13.477 -13.477
16 1HB SER 4 HB2 SER 4 -0.844 -15.403 -15.403
17 2HB SER 4 HB3 SER 4 -2.283 -15.942 -15.942
18 HG SER 4 HG SER 4 0.184 -16.381 -16.381
19 HA PRO 5 HA PRO 5 0.906 -10.912 -10.912
20 1HB PRO 5 HB2 PRO 5 1.220 -9.298 -9.298
21 2HB PRO 5 HB3 PRO 5 0.035 -8.993 -8.993
22 1HG PRO 5 HG2 PRO 5 -0.386 -10.051 -10.051
23 2HG PRO 5 HG3 PRO 5 -1.557 -9.349 -9.349
24 1HD PRO 5 HD2 PRO 5 -1.205 -12.135 -12.135
25 2HD PRO 5 HD3 PRO 5 -2.297 -11.442 -11.442
26 H VAL 6 HN VAL 6 2.996 -11.373 -11.373
27 HA VAL 6 HA VAL 6 4.517 -11.958 -11.958
28 HB VAL 6 HB VAL 6 3.374 -14.104 -14.104
29 1HG1 VAL 6 HG13 VAL 6 4.377 -13.412 -13.412
30 2HG1 VAL 6 HG11 VAL 6 5.068 -14.972 -14.972
31 3HG1 VAL 6 HG12 VAL 6 3.302 -14.749 -14.749
32 1HG2 VAL 6 HG22 VAL 6 6.276 -13.658 -13.658
33 2HG2 VAL 6 HG23 VAL 6 5.149 -14.677 -14.677
34 3HG2 VAL 6 HG21 VAL 6 5.826 -15.271 -15.271
35 H HIS 7 HN HIS 7 6.267 -13.498 -13.498
36 HA HIS 7 HA HIS 7 8.162 -12.855 -12.855
37 1HB HIS 7 HB2 HIS 7 7.548 -11.234 -11.234
38 2HB HIS 7 HB3 HIS 7 7.136 -12.937 -12.937
39 HD1 HIS 7 HD1 HIS 7 4.754 -13.433 -13.433
40 HD2 HIS 7 HD2 HIS 7 5.225 -9.600 -9.600
41 HE1 HIS 7 HE1 HIS 7 2.447 -12.344 -12.344
42 HA PRO 8 HA PRO 8 8.888 -9.034 -9.034
43 1HB PRO 8 HB2 PRO 8 11.204 -9.811 -9.811
44 2HB PRO 8 HB3 PRO 8 9.624 -9.998 -9.998
45 1HG PRO 8 HG2 PRO 8 11.355 -12.059 -12.059
46 2HG PRO 8 HG3 PRO 8 10.003 -12.270 -12.270
47 1HD PRO 8 HD2 PRO 8 10.004 -12.717 -12.717
48 2HD PRO 8 HD3 PRO 8 8.625 -12.815 -12.815
49 H GLN 9 HN GLN 9 10.126 -10.509 -10.509
50 HA GLN 9 HA GLN 9 11.790 -8.182 -8.182
51 1HB GLN 9 HB2 GLN 9 13.352 -9.952 -9.952
52 2HB GLN 9 HB3 GLN 9 12.648 -11.070 -11.070
53 1HG GLN 9 HG2 GLN 9 14.087 -10.321 -10.321
54 2HG GLN 9 HG3 GLN 9 13.325 -8.744 -8.744
55 1HE2 GLN 9 HE22 GLN 9 15.636 -7.514 -7.514
56 2HE2 GLN 9 HE21 GLN 9 13.931 -7.678 -7.678
57 H GLN 10 HN GLN 10 10.087 -11.094 -11.094
58 HA GLN 10 HA GLN 10 10.250 -10.342 -10.342
59 1HB GLN 10 HB2 GLN 10 7.916 -11.942 -11.942
60 2HB GLN 10 HB3 GLN 10 8.842 -12.176 -12.176
61 1HG GLN 10 HG2 GLN 10 10.848 -12.600 -12.600
62 2HG GLN 10 HG3 GLN 10 9.526 -12.983 -12.983
63 1HE2 GLN 10 HE22 GLN 10 8.641 -16.029 -16.029
64 2HE2 GLN 10 HE21 GLN 10 8.277 -14.772 -14.772
65 H ALA 11 HN ALA 11 8.750 -8.748 -8.748
66 HA ALA 11 HA ALA 11 6.347 -7.995 -7.995
67 1HB ALA 11 HB1 ALA 11 7.459 -7.830 -7.830
68 2HB ALA 11 HB2 ALA 11 6.727 -6.291 -6.291
69 3HB ALA 11 HB3 ALA 11 5.762 -7.787 -7.787
70 H PHE 12 HN PHE 12 9.618 -6.707 -6.707
71 HA PHE 12 HA PHE 12 8.955 -4.184 -4.184
72 1HB PHE 12 HB2 PHE 12 11.484 -5.501 -5.501
73 2HB PHE 12 HB3 PHE 12 11.487 -3.868 -3.868
74 HD1 PHE 12 HD1 PHE 12 9.182 -5.754 -5.754
75 HD2 PHE 12 HD2 PHE 12 11.602 -2.316 -2.316
76 HE1 PHE 12 HE1 PHE 12 8.470 -4.876 -4.876
77 HE2 PHE 12 HE2 PHE 12 10.890 -1.438 -1.438
78 HZ PHE 12 HZ PHE 12 9.332 -2.730 -2.730
79 H CYS 13 HN CYS 13 9.605 -7.248 -7.248
80 HA CYS 13 HA CYS 13 11.202 -6.219 -6.219
81 1HB CYS 13 HB2 CYS 13 10.934 -8.901 -8.901
82 2HB CYS 13 HB3 CYS 13 11.250 -8.845 -8.845
83 H ASN 14 HN ASN 14 8.043 -7.117 -7.117
84 HA ASN 14 HA ASN 14 7.204 -7.844 -7.844
85 1HB ASN 14 HB2 ASN 14 6.332 -8.484 -8.484
86 2HB ASN 14 HB3 ASN 14 5.012 -7.620 -7.620
87 1HD2 ASN 14 HD21 ASN 14 6.687 -10.539 -10.539
88 2HD2 ASN 14 HD22 ASN 14 5.908 -11.455 -11.455
89 H ALA 15 HN ALA 15 6.792 -5.375 -5.375
90 HA ALA 15 HA ALA 15 4.736 -3.898 -3.898
91 1HB ALA 15 HB2 ALA 15 7.130 -3.078 -3.078
92 2HB ALA 15 HB3 ALA 15 5.721 -2.037 -2.037
93 3HB ALA 15 HB1 ALA 15 5.520 -3.564 -3.564
94 H ASP 16 HN ASP 16 5.110 -1.506 -1.506
95 HA ASP 16 HA ASP 16 7.399 -1.362 -1.362
96 1HB ASP 16 HB2 ASP 16 4.562 -1.729 -1.729
97 2HB ASP 16 HB3 ASP 16 5.493 -0.524 -0.524
98 H VAL 17 HN VAL 17 5.838 -0.043 -0.043
99 HA VAL 17 HA VAL 17 6.466 2.628 2.628
100 HB VAL 17 HB VAL 17 4.311 2.315 2.315
101 1HG1 VAL 17 HG11 VAL 17 3.408 0.781 0.781
102 2HG1 VAL 17 HG12 VAL 17 2.917 2.310 2.310
103 3HG1 VAL 17 HG13 VAL 17 2.286 1.878 1.878
104 1HG2 VAL 17 HG21 VAL 17 5.194 4.511 4.511
105 2HG2 VAL 17 HG22 VAL 17 3.477 4.443 4.443
106 3HG2 VAL 17 HG23 VAL 17 3.942 4.284 4.284
107 H VAL 18 HN VAL 18 7.764 2.418 2.418
108 HA VAL 18 HA VAL 18 6.293 1.924 1.924
109 HB VAL 18 HB VAL 18 9.247 2.222 2.222
110 1HG1 VAL 18 HG13 VAL 18 7.185 1.031 1.031
111 2HG1 VAL 18 HG11 VAL 18 8.466 -0.146 -0.146
112 3HG1 VAL 18 HG12 VAL 18 8.881 1.408 1.408
113 1HG2 VAL 18 HG21 VAL 18 8.793 0.953 0.953
114 2HG2 VAL 18 HG22 VAL 18 9.626 -0.028 -0.028
115 3HG2 VAL 18 HG23 VAL 18 7.881 -0.246 -0.246
116 H ILE 19 HN ILE 19 5.637 3.644 3.644
117 HA ILE 19 HA ILE 19 7.350 5.985 5.985
118 HB ILE 19 HB ILE 19 5.627 7.524 7.524
119 1HG1 ILE 19 HG12 ILE 19 3.854 5.119 5.119
120 2HG1 ILE 19 HG13 ILE 19 3.598 6.734 6.734
121 1HG2 ILE 19 HG23 ILE 19 7.002 6.292 6.292
122 2HG2 ILE 19 HG21 ILE 19 5.483 5.444 5.444
123 3HG2 ILE 19 HG22 ILE 19 5.570 7.216 7.216
124 1HD1 ILE 19 HD13 ILE 19 3.567 7.485 7.485
125 2HD1 ILE 19 HD11 ILE 19 3.312 5.757 5.757
126 3HD1 ILE 19 HD12 ILE 19 2.139 6.650 6.650
127 H ARG 20 HN ARG 20 7.569 6.650 6.650
128 HA ARG 20 HA ARG 20 6.040 5.318 5.318
129 1HB ARG 20 HB2 ARG 20 7.933 7.690 7.690
130 2HB ARG 20 HB3 ARG 20 7.455 6.533 6.533
131 1HG ARG 20 HG2 ARG 20 8.802 4.825 4.825
132 2HG ARG 20 HG3 ARG 20 8.732 5.452 5.452
133 1HD ARG 20 HD2 ARG 20 10.974 5.717 5.717
134 2HD ARG 20 HD3 ARG 20 10.387 7.099 7.099
135 HE ARG 20 HE ARG 20 9.231 7.501 7.501
136 1HH1 ARG 20 HH22 ARG 20 12.536 6.795 6.795
137 2HH1 ARG 20 HH21 ARG 20 13.248 7.632 7.632
138 1HH2 ARG 20 HH12 ARG 20 10.169 8.607 8.607
139 2HH2 ARG 20 HH11 ARG 20 11.892 8.670 8.670
140 H THR 21 HN THR 21 4.360 6.875 6.875
141 HA THR 21 HA THR 21 3.761 9.424 9.424
142 HB THR 21 HB THR 21 3.003 8.628 8.628
143 HG1 THR 21 HG1 THR 21 1.599 10.066 10.066
144 1HG2 THR 21 HG21 THR 21 2.631 6.167 6.167
145 2HG2 THR 21 HG22 THR 21 1.008 6.784 6.784
146 3HG2 THR 21 HG23 THR 21 1.570 6.775 6.775
147 H LYS 22 HN LYS 22 1.530 9.986 9.986
148 HA LYS 22 HA LYS 22 1.046 8.130 8.130
149 1HB LYS 22 HB2 LYS 22 0.850 9.979 9.979
150 2HB LYS 22 HB3 LYS 22 2.403 10.080 10.080
151 1HG LYS 22 HG2 LYS 22 1.583 11.812 11.812
152 2HG LYS 22 HG3 LYS 22 -0.061 11.609 11.609
153 1HD LYS 22 HD2 LYS 22 2.309 12.789 12.789
154 2HD LYS 22 HD3 LYS 22 0.776 13.555 13.555
155 1HE LYS 22 HE2 LYS 22 -0.291 11.657 11.657
156 2HE LYS 22 HE3 LYS 22 1.339 11.381 11.381
157 1HZ LYS 22 HZ2 LYS 22 1.411 13.756 13.756
158 2HZ LYS 22 HZ3 LYS 22 -0.163 13.899 13.899
159 3HZ LYS 22 HZ1 LYS 22 0.272 12.933 12.933
160 H ALA 23 HN ALA 23 -0.979 7.335 7.335
161 HA ALA 23 HA ALA 23 -2.945 8.790 8.790
162 1HB ALA 23 HB3 ALA 23 -2.501 6.359 6.359
163 2HB ALA 23 HB1 ALA 23 -3.059 6.024 6.024
164 3HB ALA 23 HB2 ALA 23 -4.189 6.694 6.694
165 H VAL 24 HN VAL 24 -3.857 10.437 10.437
166 HA VAL 24 HA VAL 24 -4.689 9.772 9.772
167 HB VAL 24 HB VAL 24 -4.857 12.290 12.290
168 1HG1 VAL 24 HG12 VAL 24 -2.456 10.594 10.594
169 2HG1 VAL 24 HG13 VAL 24 -2.116 12.335 12.335
170 3HG1 VAL 24 HG11 VAL 24 -3.016 11.725 11.725
171 1HG2 VAL 24 HG21 VAL 24 -4.744 12.468 12.468
172 2HG2 VAL 24 HG22 VAL 24 -4.003 13.722 13.722
173 3HG2 VAL 24 HG23 VAL 24 -2.987 12.463 12.463
174 H SER 25 HN SER 25 -5.707 10.818 10.818
175 HA SER 25 HA SER 25 -8.446 10.779 10.779
176 1HB SER 25 HB2 SER 25 -8.281 12.952 12.952
177 2HB SER 25 HB3 SER 25 -7.049 12.547 12.547
178 HG SER 25 HG SER 25 -9.004 13.013 13.013
179 H GLU 26 HN GLU 26 -10.083 10.071 10.071
180 HA GLU 26 HA GLU 26 -8.912 8.380 8.380
181 1HB GLU 26 HB2 GLU 26 -10.528 7.322 7.322
182 2HB GLU 26 HB3 GLU 26 -10.525 6.478 6.478
183 1HG GLU 26 HG2 GLU 26 -8.608 5.466 5.466
184 2HG GLU 26 HG3 GLU 26 -7.804 7.005 7.005
185 H LYS 27 HN LYS 27 -11.027 7.127 7.127
186 HA LYS 27 HA LYS 27 -13.287 8.946 8.946
187 1HB LYS 27 HB2 LYS 27 -11.721 9.898 9.898
188 2HB LYS 27 HB3 LYS 27 -11.662 8.363 8.363
189 1HG LYS 27 HG2 LYS 27 -13.813 8.581 8.581
190 2HG LYS 27 HG3 LYS 27 -14.396 9.490 9.490
191 1HD LYS 27 HD2 LYS 27 -14.159 10.820 10.820
192 2HD LYS 27 HD3 LYS 27 -13.388 11.530 11.530
193 1HE LYS 27 HE2 LYS 27 -11.192 10.612 10.612
194 2HE LYS 27 HE3 LYS 27 -11.940 9.801 9.801
195 1HZ LYS 27 HZ2 LYS 27 -12.682 12.466 12.466
196 2HZ LYS 27 HZ3 LYS 27 -11.067 12.428 12.428
197 3HZ LYS 27 HZ1 LYS 27 -11.720 11.658 11.658
198 H GLU 28 HN GLU 28 -14.977 7.621 7.621
199 HA GLU 28 HA GLU 28 -14.741 4.861 4.861
200 1HB GLU 28 HB2 GLU 28 -15.985 5.609 5.609
201 2HB GLU 28 HB3 GLU 28 -17.064 6.575 6.575
202 1HG GLU 28 HG2 GLU 28 -17.386 4.123 4.123
203 2HG GLU 28 HG3 GLU 28 -17.033 3.619 3.619
204 H VAL 29 HN VAL 29 -14.521 4.528 4.528
205 HA VAL 29 HA VAL 29 -16.741 5.529 5.529
206 HB VAL 29 HB VAL 29 -15.234 5.161 5.161
207 1HG1 VAL 29 HG12 VAL 29 -15.223 7.249 7.249
208 2HG1 VAL 29 HG13 VAL 29 -13.504 6.787 6.787
209 3HG1 VAL 29 HG11 VAL 29 -14.282 7.202 7.202
210 1HG2 VAL 29 HG23 VAL 29 -13.736 3.646 3.646
211 2HG2 VAL 29 HG21 VAL 29 -13.471 3.808 3.808
212 3HG2 VAL 29 HG22 VAL 29 -12.708 4.957 4.957
213 H ASP 30 HN ASP 30 -18.323 4.078 4.078
214 HA ASP 30 HA ASP 30 -18.177 1.461 1.461
215 1HB ASP 30 HB2 ASP 30 -19.938 3.113 3.113
216 2HB ASP 30 HB3 ASP 30 -20.040 1.383 1.383
217 H SER 31 HN SER 31 -18.329 -0.521 -0.521
218 HA SER 31 HA SER 31 -17.063 -0.095 -0.095
219 1HB SER 31 HB2 SER 31 -15.038 -0.559 -0.559
220 2HB SER 31 HB3 SER 31 -15.772 -1.434 -1.434
221 HG SER 31 HG SER 31 -15.730 -2.498 -2.498
222 H GLY 32 HN GLY 32 -19.699 -1.035 -1.035
223 1HA GLY 32 HA1 GLY 32 -21.334 -2.443 -2.443
224 2HA GLY 32 HA2 GLY 32 -20.222 -3.183 -3.183
225 H ASN 33 HN ASN 33 -21.781 -4.998 -4.998
226 HA ASN 33 HA ASN 33 -20.714 -5.870 -5.870
227 1HB ASN 33 HB2 ASN 33 -22.518 -7.520 -7.520
228 2HB ASN 33 HB3 ASN 33 -22.441 -7.539 -7.539
229 1HD2 ASN 33 HD22 ASN 33 -24.375 -4.605 -4.605
230 2HD2 ASN 33 HD21 ASN 33 -23.080 -5.574 -5.574
231 H ASP 34 HN ASP 34 -19.963 -8.281 -8.281
232 HA ASP 34 HA ASP 34 -18.111 -8.731 -8.731
233 1HB ASP 34 HB2 ASP 34 -17.700 -8.822 -8.822
234 2HB ASP 34 HB3 ASP 34 -18.294 -10.463 -10.463
235 H ILE 35 HN ILE 35 -17.804 -11.615 -11.615
236 HA ILE 35 HA ILE 35 -20.076 -12.534 -12.534
237 HB ILE 35 HB ILE 35 -17.591 -13.955 -13.955
238 1HG1 ILE 35 HG12 ILE 35 -16.972 -13.729 -13.729
239 2HG1 ILE 35 HG13 ILE 35 -18.254 -12.542 -12.542
240 1HG2 ILE 35 HG23 ILE 35 -19.915 -14.823 -14.823
241 2HG2 ILE 35 HG21 ILE 35 -18.291 -15.482 -15.482
242 3HG2 ILE 35 HG22 ILE 35 -19.051 -15.697 -15.697
243 1HD1 ILE 35 HD12 ILE 35 -16.235 -12.253 -12.253
244 2HD1 ILE 35 HD13 ILE 35 -15.779 -11.777 -11.777
245 3HD1 ILE 35 HD11 ILE 35 -17.161 -10.994 -10.994
246 H TYR 36 HN TYR 36 -19.653 -11.867 -11.867
247 HA TYR 36 HA TYR 36 -21.146 -14.246 -14.246
248 1HB TYR 36 HB2 TYR 36 -18.827 -13.154 -13.154
249 2HB TYR 36 HB3 TYR 36 -19.947 -12.094 -12.094
250 HD1 TYR 36 HD1 TYR 36 -19.670 -15.788 -15.788
251 HD2 TYR 36 HD2 TYR 36 -20.411 -12.684 -12.684
252 HE1 TYR 36 HE1 TYR 36 -19.972 -17.529 -17.529
253 HE2 TYR 36 HE2 TYR 36 -20.710 -14.436 -14.436
254 HH TYR 36 HH TYR 36 -19.902 -17.754 -17.754
255 H GLY 37 HN GLY 37 -21.651 -11.134 -11.134
256 1HA GLY 37 HA1 GLY 37 -23.687 -10.063 -10.063
257 2HA GLY 37 HA2 GLY 37 -24.238 -11.006 -11.006
258 H ASN 38 HN ASN 38 -21.259 -10.186 -10.186
259 HA ASN 38 HA ASN 38 -22.298 -8.120 -8.120
260 1HB ASN 38 HB2 ASN 38 -19.819 -8.077 -8.077
261 2HB ASN 38 HB3 ASN 38 -20.718 -9.561 -9.561
262 1HD2 ASN 38 HD22 ASN 38 -17.411 -10.474 -10.474
263 2HD2 ASN 38 HD21 ASN 38 -18.055 -9.687 -9.687
264 HA PRO 39 HA PRO 39 -20.732 -4.764 -4.764
265 1HB PRO 39 HB2 PRO 39 -20.368 -2.841 -2.841
266 2HB PRO 39 HB3 PRO 39 -21.934 -3.225 -3.225
267 1HG PRO 39 HG2 PRO 39 -20.854 -3.927 -3.927
268 2HG PRO 39 HG3 PRO 39 -22.521 -3.923 -3.923
269 1HD PRO 39 HD2 PRO 39 -20.840 -6.219 -6.219
270 2HD PRO 39 HD3 PRO 39 -22.467 -6.202 -6.202
271 H ILE 40 HN ILE 40 -18.897 -4.328 -4.328
272 HA ILE 40 HA ILE 40 -16.514 -5.326 -5.326
273 HB ILE 40 HB ILE 40 -17.106 -3.561 -3.561
274 1HG1 ILE 40 HG12 ILE 40 -16.466 -6.514 -6.514
275 2HG1 ILE 40 HG13 ILE 40 -18.026 -5.819 -5.819
276 1HG2 ILE 40 HG21 ILE 40 -14.478 -4.692 -4.692
277 2HG2 ILE 40 HG22 ILE 40 -14.770 -4.253 -4.253
278 3HG2 ILE 40 HG23 ILE 40 -14.881 -3.011 -3.011
279 1HD1 ILE 40 HD11 ILE 40 -16.378 -4.598 -4.598
280 2HD1 ILE 40 HD12 ILE 40 -15.661 -6.222 -6.222
281 3HD1 ILE 40 HD13 ILE 40 -17.376 -6.042 -6.042
282 H LYS 41 HN LYS 41 -16.974 -1.907 -1.907
283 HA LYS 41 HA LYS 41 -16.428 0.016 0.016
284 1HB LYS 41 HB2 LYS 41 -17.818 -0.689 -0.689
285 2HB LYS 41 HB3 LYS 41 -16.462 -1.532 -1.532
286 1HG LYS 41 HG2 LYS 41 -16.735 0.687 0.687
287 2HG LYS 41 HG3 LYS 41 -15.205 0.604 0.604
288 1HD LYS 41 HD2 LYS 41 -16.196 2.728 2.728
289 2HD LYS 41 HD3 LYS 41 -16.330 1.712 1.712
290 1HE LYS 41 HE2 LYS 41 -18.682 1.196 1.196
291 2HE LYS 41 HE3 LYS 41 -18.569 2.044 2.044
292 1HZ LYS 41 HZ1 LYS 41 -17.727 3.771 3.771
293 2HZ LYS 41 HZ2 LYS 41 -19.127 3.102 3.102
294 3HZ LYS 41 HZ3 LYS 41 -19.068 3.884 3.884
295 H ARG 42 HN ARG 42 -14.508 1.031 1.031
296 HA ARG 42 HA ARG 42 -12.172 -0.397 -0.397
297 1HB ARG 42 HB2 ARG 42 -11.234 0.997 0.997
298 2HB ARG 42 HB3 ARG 42 -11.571 -0.721 -0.721
299 1HG ARG 42 HG2 ARG 42 -13.999 -0.159 -0.159
300 2HG ARG 42 HG3 ARG 42 -13.474 1.491 1.491
301 1HD ARG 42 HD2 ARG 42 -11.627 0.359 0.359
302 2HD ARG 42 HD3 ARG 42 -12.725 -1.007 -1.007
303 HE ARG 42 HE ARG 42 -14.067 1.525 1.525
304 1HH1 ARG 42 HH22 ARG 42 -12.255 -1.154 -1.154
305 2HH1 ARG 42 HH21 ARG 42 -12.891 -0.927 -0.927
306 1HH2 ARG 42 HH12 ARG 42 -14.907 1.825 1.825
307 2HH2 ARG 42 HH11 ARG 42 -14.410 0.780 0.780
308 H ILE 43 HN ILE 43 -12.702 1.228 1.228
309 HA ILE 43 HA ILE 43 -12.760 3.902 3.902
310 HB ILE 43 HB ILE 43 -11.984 1.931 1.931
311 1HG1 ILE 43 HG12 ILE 43 -13.094 3.707 3.707
312 2HG1 ILE 43 HG13 ILE 43 -13.405 4.598 4.598
313 1HG2 ILE 43 HG21 ILE 43 -10.580 4.613 4.613
314 2HG2 ILE 43 HG22 ILE 43 -10.766 3.524 3.524
315 3HG2 ILE 43 HG23 ILE 43 -9.839 2.995 2.995
316 1HD1 ILE 43 HD11 ILE 43 -14.141 1.810 1.810
317 2HD1 ILE 43 HD12 ILE 43 -14.933 2.455 2.455
318 3HD1 ILE 43 HD13 ILE 43 -15.163 3.263 3.263
319 H GLN 44 HN GLN 44 -11.346 5.637 5.637
320 HA GLN 44 HA GLN 44 -8.999 4.942 4.942
321 1HB GLN 44 HB2 GLN 44 -10.302 7.600 7.600
322 2HB GLN 44 HB3 GLN 44 -8.814 7.494 7.494
323 1HG GLN 44 HG2 GLN 44 -11.584 6.532 6.532
324 2HG GLN 44 HG3 GLN 44 -10.519 7.609 7.609
325 1HE2 GLN 44 HE22 GLN 44 -10.062 3.503 3.503
326 2HE2 GLN 44 HE21 GLN 44 -10.980 4.293 4.293
327 H TYR 45 HN TYR 45 -7.055 6.736 6.736
328 HA TYR 45 HA TYR 45 -6.614 6.643 6.643
329 1HB TYR 45 HB2 TYR 45 -5.211 5.313 5.313
330 2HB TYR 45 HB3 TYR 45 -4.124 6.175 6.175
331 HD1 TYR 45 HD2 TYR 45 -5.728 5.667 5.667
332 HD2 TYR 45 HD1 TYR 45 -4.474 3.092 3.092
333 HE1 TYR 45 HE2 TYR 45 -5.734 3.685 3.685
334 HE2 TYR 45 HE1 TYR 45 -4.483 1.119 1.119
335 HH TYR 45 HH TYR 45 -5.032 0.419 0.419
336 H GLU 46 HN GLU 46 -7.373 8.978 8.978
337 HA GLU 46 HA GLU 46 -5.703 10.598 10.598
338 1HB GLU 46 HB2 GLU 46 -8.137 10.937 10.937
339 2HB GLU 46 HB3 GLU 46 -7.222 11.723 11.723
340 1HG GLU 46 HG2 GLU 46 -6.221 13.291 13.291
341 2HG GLU 46 HG3 GLU 46 -6.906 12.424 12.424
342 H ILE 47 HN ILE 47 -3.571 9.699 9.699
343 HA ILE 47 HA ILE 47 -2.759 10.241 10.241
344 HB ILE 47 HB ILE 47 -0.529 9.674 9.674
345 1HG1 ILE 47 HG12 ILE 47 -1.855 10.004 10.004
346 2HG1 ILE 47 HG13 ILE 47 -0.289 10.570 10.570
347 1HG2 ILE 47 HG21 ILE 47 -2.777 8.031 8.031
348 2HG2 ILE 47 HG22 ILE 47 -1.968 7.541 7.541
349 3HG2 ILE 47 HG23 ILE 47 -1.070 7.527 7.527
350 1HD1 ILE 47 HD12 ILE 47 -0.101 7.777 7.777
351 2HD1 ILE 47 HD13 ILE 47 -1.004 8.020 8.020
352 3HD1 ILE 47 HD11 ILE 47 0.598 8.766 8.766
353 H LYS 48 HN LYS 48 -0.255 11.512 11.512
354 HA LYS 48 HA LYS 48 -0.977 14.146 14.146
355 1HB LYS 48 HB2 LYS 48 -1.269 13.747 13.747
356 2HB LYS 48 HB3 LYS 48 0.470 13.955 13.955
357 1HG LYS 48 HG2 LYS 48 0.343 16.170 16.170
358 2HG LYS 48 HG3 LYS 48 -1.292 15.939 15.939
359 1HD LYS 48 HD2 LYS 48 -0.938 17.331 17.331
360 2HD LYS 48 HD3 LYS 48 -2.253 16.173 16.173
361 1HE LYS 48 HE2 LYS 48 -0.947 14.516 14.516
362 2HE LYS 48 HE3 LYS 48 0.511 15.480 15.480
363 1HZ LYS 48 HZ1 LYS 48 -1.593 16.961 16.961
364 2HZ LYS 48 HZ2 LYS 48 -1.310 15.594 15.594
365 3HZ LYS 48 HZ3 LYS 48 -0.099 16.658 16.658
366 H GLN 49 HN GLN 49 0.856 11.580 11.580
367 HA GLN 49 HA GLN 49 2.921 11.151 11.151
368 1HB GLN 49 HB2 GLN 49 2.569 12.050 12.050
369 2HB GLN 49 HB3 GLN 49 2.057 13.601 13.601
370 1HG GLN 49 HG2 GLN 49 4.208 13.813 13.813
371 2HG GLN 49 HG3 GLN 49 4.406 14.222 14.222
372 1HE2 GLN 49 HE22 GLN 49 5.671 10.452 10.452
373 2HE2 GLN 49 HE21 GLN 49 4.178 11.132 11.132
374 H ILE 50 HN ILE 50 4.575 11.010 11.010
375 HA ILE 50 HA ILE 50 5.655 13.553 13.553
376 HB ILE 50 HB ILE 50 5.490 12.857 12.857
377 1HG1 ILE 50 HG12 ILE 50 6.719 10.296 10.296
378 2HG1 ILE 50 HG13 ILE 50 7.436 11.540 11.540
379 1HG2 ILE 50 HG21 ILE 50 3.327 11.995 11.995
380 2HG2 ILE 50 HG22 ILE 50 4.021 10.376 10.376
381 3HG2 ILE 50 HG23 ILE 50 3.721 11.443 11.443
382 1HD1 ILE 50 HD13 ILE 50 5.527 10.924 10.924
383 2HD1 ILE 50 HD11 ILE 50 5.412 9.422 9.422
384 3HD1 ILE 50 HD12 ILE 50 6.942 9.853 9.853
385 H LYS 51 HN LYS 51 6.196 10.366 10.366
386 HA LYS 51 HA LYS 51 8.856 11.213 11.213
387 1HB LYS 51 HB2 LYS 51 8.473 9.528 9.528
388 2HB LYS 51 HB3 LYS 51 9.148 8.539 8.539
389 1HG LYS 51 HG2 LYS 51 10.584 10.978 10.978
390 2HG LYS 51 HG3 LYS 51 10.423 10.667 10.667
391 1HD LYS 51 HD2 LYS 51 11.549 8.573 8.573
392 2HD LYS 51 HD3 LYS 51 11.279 8.430 8.430
393 1HE LYS 51 HE2 LYS 51 12.946 10.065 10.065
394 2HE LYS 51 HE3 LYS 51 12.955 10.712 10.712
395 1HZ LYS 51 HZ1 LYS 51 13.761 7.953 7.953
396 2HZ LYS 51 HZ2 LYS 51 14.822 9.194 9.194
397 3HZ LYS 51 HZ3 LYS 51 14.054 8.826 8.826
398 H MET 52 HN MET 52 9.862 9.419 9.419
399 HA MET 52 HA MET 52 7.795 7.875 7.875
400 1HB MET 52 HB2 MET 52 7.815 10.113 10.113
401 2HB MET 52 HB3 MET 52 9.537 9.952 9.952
402 1HG MET 52 HG2 MET 52 9.233 8.524 8.524
403 2HG MET 52 HG3 MET 52 7.981 7.614 7.614
404 1HE MET 52 HE3 MET 52 6.097 9.101 9.101
405 2HE MET 52 HE1 MET 52 5.501 10.601 10.601
406 3HE MET 52 HE2 MET 52 4.891 9.024 9.024
407 H PHE 53 HN PHE 53 9.264 6.285 6.285
408 HA PHE 53 HA PHE 53 11.877 5.871 5.871
409 1HB PHE 53 HB2 PHE 53 9.397 4.247 4.247
410 2HB PHE 53 HB3 PHE 53 10.713 3.314 3.314
411 HD1 PHE 53 HD2 PHE 53 13.055 4.498 4.498
412 HD2 PHE 53 HD1 PHE 53 9.223 3.512 3.512
413 HE1 PHE 53 HE2 PHE 53 14.045 4.210 4.210
414 HE2 PHE 53 HE1 PHE 53 10.213 3.224 3.224
415 HZ PHE 53 HZ PHE 53 12.612 3.576 3.576
416 H LYS 54 HN LYS 54 9.628 3.810 3.810
417 HA LYS 54 HA LYS 54 11.283 4.412 4.412
418 1HB LYS 54 HB2 LYS 54 12.105 2.318 2.318
419 2HB LYS 54 HB3 LYS 54 10.496 1.706 1.706
420 1HG LYS 54 HG2 LYS 54 11.407 0.773 0.773
421 2HG LYS 54 HG3 LYS 54 9.948 1.701 1.701
422 1HD LYS 54 HD2 LYS 54 11.451 3.711 3.711
423 2HD LYS 54 HD3 LYS 54 12.819 2.619 2.619
424 1HE LYS 54 HE2 LYS 54 12.256 1.555 1.555
425 2HE LYS 54 HE3 LYS 54 10.532 1.718 1.718
426 1HZ LYS 54 HZ1 LYS 54 12.253 4.002 4.002
427 2HZ LYS 54 HZ2 LYS 54 11.463 3.130 3.130
428 3HZ LYS 54 HZ3 LYS 54 10.621 3.958 3.958
429 H GLY 55 HN GLY 55 9.470 6.002 6.002
430 1HA GLY 55 HA1 GLY 55 7.159 4.631 4.631
431 2HA GLY 55 HA2 GLY 55 6.982 6.059 6.059
432 HA PRO 56 HA PRO 56 7.483 7.638 7.638
433 1HB PRO 56 HB2 PRO 56 5.449 9.460 9.460
434 2HB PRO 56 HB3 PRO 56 5.248 7.828 7.828
435 1HG PRO 56 HG2 PRO 56 4.361 8.974 8.974
436 2HG PRO 56 HG3 PRO 56 3.817 7.510 7.510
437 1HD PRO 56 HD2 PRO 56 5.602 7.685 7.685
438 2HD PRO 56 HD3 PRO 56 5.149 6.232 6.232
439 H GLU 57 HN GLU 57 7.300 10.225 10.225
440 HA GLU 57 HA GLU 57 9.374 11.263 11.263
441 1HB GLU 57 HB2 GLU 57 8.328 12.784 12.784
442 2HB GLU 57 HB3 GLU 57 9.975 12.627 12.627
443 1HG GLU 57 HG2 GLU 57 9.846 10.142 10.142
444 2HG GLU 57 HG3 GLU 57 8.341 10.532 10.532
445 H LYS 58 HN LYS 58 5.975 11.876 11.876
446 HA LYS 58 HA LYS 58 5.921 14.386 14.386
447 1HB LYS 58 HB2 LYS 58 4.575 13.555 13.555
448 2HB LYS 58 HB3 LYS 58 3.452 12.968 12.968
449 1HG LYS 58 HG2 LYS 58 2.623 15.068 15.068
450 2HG LYS 58 HG3 LYS 58 4.159 15.580 15.580
451 1HD LYS 58 HD2 LYS 58 3.753 15.371 15.371
452 2HD LYS 58 HD3 LYS 58 3.270 16.809 16.809
453 1HE LYS 58 HE2 LYS 58 5.891 16.229 16.229
454 2HE LYS 58 HE3 LYS 58 5.954 15.948 15.948
455 1HZ LYS 58 HZ3 LYS 58 4.754 18.372 18.372
456 2HZ LYS 58 HZ1 LYS 58 6.345 18.275 18.275
457 3HZ LYS 58 HZ2 LYS 58 5.231 18.112 18.112
458 H ASP 59 HN ASP 59 3.645 11.600 11.600
459 HA ASP 59 HA ASP 59 4.245 10.551 10.551
460 1HB ASP 59 HB2 ASP 59 4.497 12.568 12.568
461 2HB ASP 59 HB3 ASP 59 3.097 13.313 13.313
462 H ILE 60 HN ILE 60 2.109 9.885 9.885
463 HA ILE 60 HA ILE 60 0.003 9.537 9.537
464 HB ILE 60 HB ILE 60 0.120 8.073 8.073
465 1HG1 ILE 60 HG12 ILE 60 2.429 8.033 8.033
466 2HG1 ILE 60 HG13 ILE 60 1.673 6.456 6.456
467 1HG2 ILE 60 HG23 ILE 60 -1.660 8.001 8.001
468 2HG2 ILE 60 HG21 ILE 60 -0.516 6.761 6.761
469 3HG2 ILE 60 HG22 ILE 60 -1.282 6.599 6.599
470 1HD1 ILE 60 HD11 ILE 60 1.269 7.931 7.931
471 2HD1 ILE 60 HD12 ILE 60 2.910 7.326 7.326
472 3HD1 ILE 60 HD13 ILE 60 1.536 6.195 6.195
473 H GLU 61 HN GLU 61 0.135 9.885 9.885
474 HA GLU 61 HA GLU 61 -0.958 11.194 11.194
475 1HB GLU 61 HB2 GLU 61 -1.078 12.745 12.745
476 2HB GLU 61 HB3 GLU 61 -2.485 13.035 13.035
477 1HG GLU 61 HG2 GLU 61 -1.258 14.038 14.038
478 2HG GLU 61 HG3 GLU 61 0.125 12.987 12.987
479 H PHE 62 HN PHE 62 -2.359 9.309 9.309
480 HA PHE 62 HA PHE 62 -4.790 9.076 9.076
481 1HB PHE 62 HB2 PHE 62 -4.454 10.244 10.244
482 2HB PHE 62 HB3 PHE 62 -5.603 8.920 8.920
483 HD1 PHE 62 HD1 PHE 62 -7.449 9.039 9.039
484 HD2 PHE 62 HD2 PHE 62 -5.188 12.374 12.374
485 HE1 PHE 62 HE1 PHE 62 -9.230 10.587 10.587
486 HE2 PHE 62 HE2 PHE 62 -6.969 13.923 13.923
487 HZ PHE 62 HZ PHE 62 -8.968 13.010 13.010
488 H ILE 63 HN ILE 63 -4.358 6.967 6.967
489 HA ILE 63 HA ILE 63 -3.732 5.078 5.078
490 HB ILE 63 HB ILE 63 -3.515 4.401 4.401
491 1HG1 ILE 63 HG12 ILE 63 -2.358 6.724 6.724
492 2HG1 ILE 63 HG13 ILE 63 -1.764 5.717 5.717
493 1HG2 ILE 63 HG21 ILE 63 -2.256 3.524 3.524
494 2HG2 ILE 63 HG22 ILE 63 -1.437 3.225 3.225
495 3HG2 ILE 63 HG23 ILE 63 -3.061 2.558 2.558
496 1HD1 ILE 63 HD11 ILE 63 -0.917 5.289 5.289
497 2HD1 ILE 63 HD12 ILE 63 -0.039 6.365 6.365
498 3HD1 ILE 63 HD13 ILE 63 -0.160 4.624 4.624
499 H TYR 64 HN TYR 64 -4.700 2.768 2.768
500 HA TYR 64 HA TYR 64 -7.479 3.167 3.167
501 1HB TYR 64 HB2 TYR 64 -7.839 2.809 2.809
502 2HB TYR 64 HB3 TYR 64 -6.199 2.240 2.240
503 HD1 TYR 64 HD2 TYR 64 -5.715 -0.189 -0.189
504 HD2 TYR 64 HD1 TYR 64 -9.583 1.299 1.299
505 HE1 TYR 64 HE2 TYR 64 -6.579 -2.570 -2.570
506 HE2 TYR 64 HE1 TYR 64 -10.435 -1.087 -1.087
507 HH TYR 64 HH TYR 64 -9.914 -3.260 -3.260
508 H THR 65 HN THR 65 -8.506 1.317 1.317
509 HA THR 65 HA THR 65 -7.117 -1.134 -1.134
510 HB THR 65 HB THR 65 -5.732 0.313 0.313
511 HG1 THR 65 HG1 THR 65 -6.487 -1.986 -1.986
512 1HG2 THR 65 HG22 THR 65 -8.477 0.917 0.917
513 2HG2 THR 65 HG23 THR 65 -7.064 0.861 0.861
514 3HG2 THR 65 HG21 THR 65 -7.109 2.026 2.026
515 H ALA 66 HN ALA 66 -8.304 -1.954 -1.954
516 HA ALA 66 HA ALA 66 -11.101 -1.939 -1.939
517 1HB ALA 66 HB2 ALA 66 -9.275 -3.988 -3.988
518 2HB ALA 66 HB3 ALA 66 -10.486 -3.890 -3.890
519 3HB ALA 66 HB1 ALA 66 -11.005 -4.154 -4.154
520 HA PRO 67 HA PRO 67 -12.235 0.163 0.163
521 1HB PRO 67 HB2 PRO 67 -14.805 -0.689 -0.689
522 2HB PRO 67 HB3 PRO 67 -14.363 0.543 0.543
523 1HG PRO 67 HG2 PRO 67 -15.098 -2.281 -2.281
524 2HG PRO 67 HG3 PRO 67 -15.071 -0.947 -0.947
525 1HD PRO 67 HD2 PRO 67 -13.129 -3.046 -3.046
526 2HD PRO 67 HD3 PRO 67 -13.043 -1.649 -1.649
527 H SER 68 HN SER 68 -13.970 -0.503 -0.503
528 HA SER 68 HA SER 68 -13.849 -1.406 -1.406
529 1HB SER 68 HB2 SER 68 -13.692 -3.657 -3.657
530 2HB SER 68 HB3 SER 68 -12.969 -4.057 -4.057
531 HG SER 68 HG SER 68 -15.392 -2.687 -2.687
532 H SER 69 HN SER 69 -12.214 -3.233 -3.233
533 HA SER 69 HA SER 69 -10.041 -1.782 -1.782
534 1HB SER 69 HB2 SER 69 -9.077 -4.100 -4.100
535 2HB SER 69 HB3 SER 69 -10.553 -3.503 -3.503
536 HG SER 69 HG SER 69 -11.297 -5.440 -5.440
537 H ALA 70 HN ALA 70 -10.279 -4.471 -4.471
538 HA ALA 70 HA ALA 70 -8.737 -3.566 -3.566
539 1HB ALA 70 HB1 ALA 70 -7.040 -4.140 -4.140
540 2HB ALA 70 HB2 ALA 70 -6.455 -4.821 -4.821
541 3HB ALA 70 HB3 ALA 70 -6.741 -3.070 -3.070
542 H VAL 71 HN VAL 71 -9.695 -4.996 -4.996
543 HA VAL 71 HA VAL 71 -9.529 -7.833 -7.833
544 HB VAL 71 HB VAL 71 -11.608 -8.107 -8.107
545 1HG1 VAL 71 HG12 VAL 71 -11.828 -6.115 -6.115
546 2HG1 VAL 71 HG13 VAL 71 -11.673 -5.070 -5.070
547 3HG1 VAL 71 HG11 VAL 71 -13.072 -6.160 -6.160
548 1HG2 VAL 71 HG23 VAL 71 -10.985 -6.176 -6.176
549 2HG2 VAL 71 HG21 VAL 71 -11.010 -7.953 -7.953
550 3HG2 VAL 71 HG22 VAL 71 -12.523 -7.052 -7.052
551 H CYS 72 HN CYS 72 -9.127 -5.411 -5.411
552 HA CYS 72 HA CYS 72 -7.398 -7.383 -7.383
553 1HB CYS 72 HB2 CYS 72 -9.200 -5.355 -5.355
554 2HB CYS 72 HB3 CYS 72 -8.035 -6.375 -6.375
555 H GLY 73 HN GLY 73 -6.788 -5.356 -5.356
556 1HA GLY 73 HA1 GLY 73 -4.563 -4.104 -4.104
557 2HA GLY 73 HA2 GLY 73 -5.837 -2.943 -2.943
558 H VAL 74 HN VAL 74 -4.288 -1.925 -1.925
559 HA VAL 74 HA VAL 74 -4.153 -3.420 -3.420
560 HB VAL 74 HB VAL 74 -2.296 -1.331 -1.331
561 1HG1 VAL 74 HG11 VAL 74 -2.369 -2.651 -2.651
562 2HG1 VAL 74 HG12 VAL 74 -0.898 -1.906 -1.906
563 3HG1 VAL 74 HG13 VAL 74 -2.349 -0.915 -0.915
564 1HG2 VAL 74 HG23 VAL 74 -2.272 -3.821 -3.821
565 2HG2 VAL 74 HG21 VAL 74 -0.742 -3.016 -3.016
566 3HG2 VAL 74 HG22 VAL 74 -1.512 -4.130 -4.130
567 H SER 75 HN SER 75 -5.910 -1.137 -1.137
568 HA SER 75 HA SER 75 -6.846 0.810 0.810
569 1HB SER 75 HB2 SER 75 -7.959 -1.398 -1.398
570 2HB SER 75 HB3 SER 75 -7.816 -0.257 -0.257
571 HG SER 75 HG SER 75 -8.784 1.247 1.247
572 H LEU 76 HN LEU 76 -4.986 2.196 2.196
573 HA LEU 76 HA LEU 76 -4.303 2.493 2.493
574 1HB LEU 76 HB2 LEU 76 -2.705 3.899 3.899
575 2HB LEU 76 HB3 LEU 76 -2.207 3.033 3.033
576 HG LEU 76 HG LEU 76 -3.011 0.945 0.945
577 1HD1 LEU 76 HD12 LEU 76 -3.200 2.982 2.982
578 2HD1 LEU 76 HD13 LEU 76 -1.560 2.362 2.362
579 3HD1 LEU 76 HD11 LEU 76 -2.960 1.264 1.264
580 1HD2 LEU 76 HD22 LEU 76 -0.561 2.070 2.070
581 2HD2 LEU 76 HD23 LEU 76 -0.929 0.379 0.379
582 3HD2 LEU 76 HD21 LEU 76 -0.315 1.489 1.489
583 H ASP 77 HN ASP 77 -4.790 4.355 4.355
584 HA ASP 77 HA ASP 77 -6.072 6.412 6.412
585 1HB ASP 77 HB2 ASP 77 -7.136 6.980 6.980
586 2HB ASP 77 HB3 ASP 77 -7.804 5.682 5.682
587 H VAL 78 HN VAL 78 -3.293 5.585 5.585
588 HA VAL 78 HA VAL 78 -1.553 6.751 6.751
589 HB VAL 78 HB VAL 78 -3.186 8.823 8.823
590 1HG1 VAL 78 HG13 VAL 78 -1.352 9.468 9.468
591 2HG1 VAL 78 HG11 VAL 78 -1.354 10.535 10.535
592 3HG1 VAL 78 HG12 VAL 78 -2.860 10.261 10.261
593 1HG2 VAL 78 HG21 VAL 78 -0.627 7.471 7.471
594 2HG2 VAL 78 HG22 VAL 78 -1.615 8.332 8.332
595 3HG2 VAL 78 HG23 VAL 78 -0.466 9.234 9.234
596 H GLY 79 HN GLY 79 -4.643 8.388 8.388
597 1HA GLY 79 HA1 GLY 79 -3.908 9.395 9.395
598 2HA GLY 79 HA2 GLY 79 -5.498 8.762 8.762
599 H GLY 80 HN GLY 80 -3.921 6.045 6.045
600 1HA GLY 80 HA1 GLY 80 -3.836 5.216 5.216
601 2HA GLY 80 HA2 GLY 80 -4.444 4.223 4.223
602 H LYS 81 HN LYS 81 -2.327 5.127 5.127
603 HA LYS 81 HA LYS 81 -0.154 3.517 3.517
604 1HB LYS 81 HB2 LYS 81 0.157 3.810 3.810
605 2HB LYS 81 HB3 LYS 81 -0.253 2.367 2.367
606 1HG LYS 81 HG2 LYS 81 -2.310 4.452 4.452
607 2HG LYS 81 HG3 LYS 81 -1.939 3.018 3.018
608 1HD LYS 81 HD2 LYS 81 -2.984 1.587 1.587
609 2HD LYS 81 HD3 LYS 81 -2.571 2.564 2.564
610 1HE LYS 81 HE2 LYS 81 -4.721 3.308 3.308
611 2HE LYS 81 HE3 LYS 81 -4.282 4.246 4.246
612 1HZ LYS 81 HZ1 LYS 81 -4.717 1.817 1.817
613 2HZ LYS 81 HZ2 LYS 81 -5.832 1.862 1.862
614 3HZ LYS 81 HZ3 LYS 81 -5.823 3.018 3.018
615 H LYS 82 HN LYS 82 0.146 5.607 5.607
616 HA LYS 82 HA LYS 82 0.954 7.960 7.960
617 1HB LYS 82 HB2 LYS 82 3.485 7.677 7.677
618 2HB LYS 82 HB3 LYS 82 2.521 7.138 7.138
619 1HG LYS 82 HG2 LYS 82 2.642 4.885 4.885
620 2HG LYS 82 HG3 LYS 82 4.251 5.573 5.573
621 1HD LYS 82 HD2 LYS 82 4.736 4.741 4.741
622 2HD LYS 82 HD3 LYS 82 3.421 5.659 5.659
623 1HE LYS 82 HE2 LYS 82 1.919 3.868 3.868
624 2HE LYS 82 HE3 LYS 82 2.690 3.152 3.152
625 1HZ LYS 82 HZ3 LYS 82 4.558 2.578 2.578
626 2HZ LYS 82 HZ1 LYS 82 3.733 3.143 3.143
627 3HZ LYS 82 HZ2 LYS 82 3.166 1.858 1.858
628 H GLU 83 HN GLU 83 2.784 5.470 5.470
629 HA GLU 83 HA GLU 83 1.865 6.606 6.606
630 1HB GLU 83 HB2 GLU 83 4.638 6.898 6.898
631 2HB GLU 83 HB3 GLU 83 3.449 8.181 8.181
632 1HG GLU 83 HG2 GLU 83 4.473 7.041 7.041
633 2HG GLU 83 HG3 GLU 83 5.566 8.054 8.054
634 H TYR 84 HN TYR 84 3.119 5.513 5.513
635 HA TYR 84 HA TYR 84 4.391 3.022 3.022
636 1HB TYR 84 HB2 TYR 84 2.636 1.790 1.790
637 2HB TYR 84 HB3 TYR 84 1.965 2.481 2.481
638 HD1 TYR 84 HD2 TYR 84 2.619 3.612 3.612
639 HD2 TYR 84 HD1 TYR 84 -0.101 3.494 3.494
640 HE1 TYR 84 HE2 TYR 84 0.883 4.860 4.860
641 HE2 TYR 84 HE1 TYR 84 -1.828 4.742 4.742
642 HH TYR 84 HH TYR 84 -1.035 5.890 5.890
643 H LEU 85 HN LEU 85 5.419 1.960 1.960
644 HA LEU 85 HA LEU 85 6.158 3.901 3.901
645 1HB LEU 85 HB2 LEU 85 7.796 2.163 2.163
646 2HB LEU 85 HB3 LEU 85 7.938 2.724 2.724
647 HG LEU 85 HG LEU 85 8.129 0.171 0.171
648 1HD1 LEU 85 HD11 LEU 85 7.889 1.545 1.545
649 2HD1 LEU 85 HD12 LEU 85 6.421 0.543 0.543
650 3HD1 LEU 85 HD13 LEU 85 8.016 -0.228 -0.228
651 1HD2 LEU 85 HD23 LEU 85 5.988 0.001 0.001
652 2HD2 LEU 85 HD21 LEU 85 6.024 -1.051 -1.051
653 3HD2 LEU 85 HD22 LEU 85 5.132 0.488 0.488
654 H ILE 86 HN ILE 86 3.513 2.005 2.005
655 HA ILE 86 HA ILE 86 2.528 0.465 0.465
656 HB ILE 86 HB ILE 86 1.963 3.284 3.284
657 1HG1 ILE 86 HG12 ILE 86 -0.305 2.541 2.541
658 2HG1 ILE 86 HG13 ILE 86 0.085 0.947 0.947
659 1HG2 ILE 86 HG22 ILE 86 1.652 1.768 1.768
660 2HG2 ILE 86 HG23 ILE 86 0.467 3.014 3.014
661 3HG2 ILE 86 HG21 ILE 86 2.185 3.443 3.443
662 1HD1 ILE 86 HD13 ILE 86 1.802 1.575 1.575
663 2HD1 ILE 86 HD11 ILE 86 0.089 1.780 1.780
664 3HD1 ILE 86 HD12 ILE 86 0.664 0.223 0.223
665 H ALA 87 HN ALA 87 3.724 -0.915 -0.915
666 HA ALA 87 HA ALA 87 4.700 0.221 0.221
667 1HB ALA 87 HB1 ALA 87 6.099 -1.358 -1.358
668 2HB ALA 87 HB2 ALA 87 6.367 -1.896 -1.896
669 3HB ALA 87 HB3 ALA 87 6.752 -0.224 -0.224
670 H GLY 88 HN GLY 88 3.253 -0.495 -0.495
671 1HA GLY 88 HA1 GLY 88 2.739 -3.389 -3.389
672 2HA GLY 88 HA2 GLY 88 1.381 -2.282 -2.282
673 H LYS 89 HN LYS 89 1.502 -3.885 -3.885
674 HA LYS 89 HA LYS 89 3.063 -3.370 -3.370
675 1HB LYS 89 HB2 LYS 89 1.040 -4.933 -4.933
676 2HB LYS 89 HB3 LYS 89 0.062 -3.577 -3.577
677 1HG LYS 89 HG2 LYS 89 0.714 -3.817 -3.817
678 2HG LYS 89 HG3 LYS 89 2.409 -3.899 -3.899
679 1HD LYS 89 HD2 LYS 89 1.663 -6.350 -6.350
680 2HD LYS 89 HD3 LYS 89 0.419 -6.134 -6.134
681 1HE LYS 89 HE2 LYS 89 3.068 -5.332 -5.332
682 2HE LYS 89 HE3 LYS 89 3.067 -6.992 -6.992
683 1HZ LYS 89 HZ3 LYS 89 0.730 -6.557 -6.557
684 2HZ LYS 89 HZ1 LYS 89 1.966 -5.984 -5.984
685 3HZ LYS 89 HZ2 LYS 89 1.981 -7.534 -7.534
686 H ALA 90 HN ALA 90 0.412 -1.289 -1.289
687 HA ALA 90 HA ALA 90 0.250 0.947 0.947
688 1HB ALA 90 HB1 ALA 90 2.793 0.813 0.813
689 2HB ALA 90 HB2 ALA 90 2.231 1.032 1.032
690 3HB ALA 90 HB3 ALA 90 1.873 2.270 2.270
691 H GLU 91 HN GLU 91 -0.431 2.595 2.595
692 HA GLU 91 HA GLU 91 -1.746 1.028 1.028
693 1HB GLU 91 HB2 GLU 91 -3.213 1.786 1.786
694 2HB GLU 91 HB3 GLU 91 -3.202 3.344 3.344
695 1HG GLU 91 HG2 GLU 91 -5.175 1.975 1.975
696 2HG GLU 91 HG3 GLU 91 -4.156 2.362 2.362
697 H GLY 92 HN GLY 92 0.523 3.279 3.279
698 1HA GLY 92 HA1 GLY 92 1.332 4.272 4.272
699 2HA GLY 92 HA2 GLY 92 -0.232 5.059 5.059
700 H ASP 93 HN ASP 93 -0.196 7.154 7.154
701 HA ASP 93 HA ASP 93 1.537 7.747 7.747
702 1HB ASP 93 HB2 ASP 93 1.023 9.558 9.558
703 2HB ASP 93 HB3 ASP 93 2.038 9.950 9.950
704 H GLY 94 HN GLY 94 0.638 9.358 9.358
705 1HA GLY 94 HA1 GLY 94 -0.928 10.713 10.713
706 2HA GLY 94 HA2 GLY 94 -1.747 10.800 10.800
707 H LYS 95 HN LYS 95 -1.277 7.525 7.525
708 HA LYS 95 HA LYS 95 -3.148 6.918 6.918
709 1HB LYS 95 HB2 LYS 95 -5.175 6.646 6.646
710 2HB LYS 95 HB3 LYS 95 -4.590 8.098 8.098
711 1HG LYS 95 HG2 LYS 95 -4.230 5.282 5.282
712 2HG LYS 95 HG3 LYS 95 -5.521 6.368 6.368
713 1HD LYS 95 HD2 LYS 95 -2.561 7.076 7.076
714 2HD LYS 95 HD3 LYS 95 -3.490 6.367 6.367
715 1HE LYS 95 HE2 LYS 95 -4.140 9.014 9.014
716 2HE LYS 95 HE3 LYS 95 -3.372 8.858 8.858
717 1HZ LYS 95 HZ2 LYS 95 -5.673 7.321 7.321
718 2HZ LYS 95 HZ3 LYS 95 -6.080 8.778 8.778
719 3HZ LYS 95 HZ1 LYS 95 -5.366 8.681 8.681
720 H MET 96 HN MET 96 -3.105 4.706 4.706
721 HA MET 96 HA MET 96 -2.034 3.009 3.009
722 1HB MET 96 HB2 MET 96 -0.499 2.079 2.079
723 2HB MET 96 HB3 MET 96 0.064 3.367 3.367
724 1HG MET 96 HG2 MET 96 -0.013 4.923 4.923
725 2HG MET 96 HG3 MET 96 -1.590 4.388 4.388
726 1HE MET 96 HE3 MET 96 2.025 4.433 4.433
727 2HE MET 96 HE1 MET 96 1.462 5.044 5.044
728 3HE MET 96 HE2 MET 96 2.428 3.551 3.551
729 H HIS 97 HN HIS 97 -1.615 0.674 0.674
730 HA HIS 97 HA HIS 97 -4.143 0.332 0.332
731 1HB HIS 97 HB2 HIS 97 -3.379 -0.833 -0.833
732 2HB HIS 97 HB3 HIS 97 -3.562 -2.097 -2.097
733 HD1 HIS 97 HD1 HIS 97 -5.737 -2.961 -2.961
734 HD2 HIS 97 HD2 HIS 97 -5.973 0.983 0.983
735 HE1 HIS 97 HE1 HIS 97 -8.207 -2.323 -2.323
736 H ILE 98 HN ILE 98 -3.922 -0.668 -0.668
737 HA ILE 98 HA ILE 98 -1.537 -2.297 -2.297
738 HB ILE 98 HB ILE 98 -0.945 -1.191 -1.191
739 1HG1 ILE 98 HG12 ILE 98 -3.503 0.344 0.344
740 2HG1 ILE 98 HG13 ILE 98 -2.952 -0.541 -0.541
741 1HG2 ILE 98 HG22 ILE 98 -0.470 -0.179 -0.179
742 2HG2 ILE 98 HG23 ILE 98 -1.301 1.213 1.213
743 3HG2 ILE 98 HG21 ILE 98 0.161 0.544 0.544
744 1HD1 ILE 98 HD13 ILE 98 -1.067 1.592 1.592
745 2HD1 ILE 98 HD11 ILE 98 -2.697 2.212 2.212
746 3HD1 ILE 98 HD12 ILE 98 -1.825 1.256 1.256
747 H THR 99 HN THR 99 -1.830 -3.994 -3.994
748 HA THR 99 HA THR 99 -4.441 -4.143 -4.143
749 HB THR 99 HB THR 99 -4.456 -6.612 -6.612
750 HG1 THR 99 HG1 THR 99 -2.899 -6.899 -6.899
751 1HG2 THR 99 HG23 THR 99 -5.575 -4.201 -4.201
752 2HG2 THR 99 HG21 THR 99 -4.824 -4.990 -4.990
753 3HG2 THR 99 HG22 THR 99 -6.049 -5.856 -5.856
754 H LEU 100 HN LEU 100 -4.514 -6.098 -6.098
755 HA LEU 100 HA LEU 100 -2.294 -5.865 -5.865
756 1HB LEU 100 HB2 LEU 100 -3.547 -7.011 -7.011
757 2HB LEU 100 HB3 LEU 100 -4.806 -6.400 -6.400
758 HG LEU 100 HG LEU 100 -3.739 -9.074 -9.074
759 1HD1 LEU 100 HD11 LEU 100 -4.111 -8.688 -8.688
760 2HD1 LEU 100 HD12 LEU 100 -5.727 -9.232 -9.232
761 3HD1 LEU 100 HD13 LEU 100 -4.301 -10.242 -10.242
762 1HD2 LEU 100 HD22 LEU 100 -6.354 -7.620 -7.620
763 2HD2 LEU 100 HD23 LEU 100 -5.519 -8.514 -8.514
764 3HD2 LEU 100 HD21 LEU 100 -6.356 -9.400 -9.400
765 H CYS 101 HN CYS 101 -3.231 -8.145 -8.145
766 HA CYS 101 HA CYS 101 -1.333 -10.108 -10.108
767 1HB CYS 101 HB2 CYS 101 -1.992 -10.183 -10.183
768 2HB CYS 101 HB3 CYS 101 -2.370 -11.327 -11.327
769 H ASP 102 HN ASP 102 -1.308 -7.038 -7.038
770 HA ASP 102 HA ASP 102 1.107 -7.634 -7.634
771 1HB ASP 102 HB2 ASP 102 -0.889 -5.941 -5.941
772 2HB ASP 102 HB3 ASP 102 0.043 -4.834 -4.834
773 H PHE 103 HN PHE 103 2.976 -5.860 -5.860
774 HA PHE 103 HA PHE 103 3.815 -6.006 -6.006
775 1HB PHE 103 HB2 PHE 103 5.473 -6.067 -6.067
776 2HB PHE 103 HB3 PHE 103 4.725 -4.736 -4.736
777 HD1 PHE 103 HD2 PHE 103 5.197 -4.417 -4.417
778 HD2 PHE 103 HD1 PHE 103 6.929 -3.670 -3.670
779 HE1 PHE 103 HE2 PHE 103 6.823 -2.821 -2.821
780 HE2 PHE 103 HE1 PHE 103 8.555 -2.074 -2.074
781 HZ PHE 103 HZ PHE 103 8.483 -1.670 -1.670
782 H ILE 104 HN ILE 104 3.273 -4.668 -4.668
783 HA ILE 104 HA ILE 104 3.260 -1.857 -1.857
784 HB ILE 104 HB ILE 104 0.811 -1.694 -1.694
785 1HG1 ILE 104 HG12 ILE 104 0.671 -4.340 -4.340
786 2HG1 ILE 104 HG13 ILE 104 0.516 -4.152 -4.152
787 1HG2 ILE 104 HG23 ILE 104 2.050 -1.268 -1.268
788 2HG2 ILE 104 HG21 ILE 104 0.745 -2.386 -2.386
789 3HG2 ILE 104 HG22 ILE 104 0.356 -0.860 -0.860
790 1HD1 ILE 104 HD11 ILE 104 -1.411 -2.528 -2.528
791 2HD1 ILE 104 HD12 ILE 104 -1.322 -3.010 -3.010
792 3HD1 ILE 104 HD13 ILE 104 -1.723 -4.218 -4.218
793 H VAL 105 HN VAL 105 3.645 -0.848 -0.848
794 HA VAL 105 HA VAL 105 2.996 -2.215 -2.215
795 HB VAL 105 HB VAL 105 5.656 -1.731 -1.731
796 1HG1 VAL 105 HG11 VAL 105 4.320 -3.655 -3.655
797 2HG1 VAL 105 HG12 VAL 105 4.399 -4.359 -4.359
798 3HG1 VAL 105 HG13 VAL 105 5.887 -4.162 -4.162
799 1HG2 VAL 105 HG23 VAL 105 5.387 -2.903 -2.903
800 2HG2 VAL 105 HG21 VAL 105 6.182 -1.375 -1.375
801 3HG2 VAL 105 HG22 VAL 105 6.875 -2.929 -2.929
802 HA PRO 106 HA PRO 106 2.948 1.895 1.895
803 1HB PRO 106 HB2 PRO 106 3.358 1.670 1.670
804 2HB PRO 106 HB3 PRO 106 1.812 1.355 1.355
805 1HG PRO 106 HG2 PRO 106 3.780 -0.575 -0.575
806 2HG PRO 106 HG3 PRO 106 2.085 -0.825 -0.825
807 1HD PRO 106 HD2 PRO 106 4.327 -1.682 -1.682
808 2HD PRO 106 HD3 PRO 106 2.632 -1.829 -1.829
809 H TRP 107 HN TRP 107 5.672 0.419 0.419
810 HA TRP 107 HA TRP 107 7.746 1.169 1.169
811 1HB TRP 107 HB2 TRP 107 6.673 3.338 3.338
812 2HB TRP 107 HB3 TRP 107 6.796 3.816 3.816
813 HD1 TRP 107 HD1 TRP 107 9.425 2.403 2.403
814 HE1 TRP 107 HE1 TRP 107 11.658 3.805 3.805
815 HE3 TRP 107 HE3 TRP 107 7.832 5.619 5.619
816 HZ2 TRP 107 HZ2 TRP 107 12.488 6.051 6.051
817 HZ3 TRP 107 HZ3 TRP 107 9.416 7.387 7.387
818 HH2 TRP 107 HH2 TRP 107 11.673 7.632 7.632
819 H ASP 108 HN ASP 108 6.382 2.679 2.679
820 HA ASP 108 HA ASP 108 8.715 2.175 2.175
821 1HB ASP 108 HB2 ASP 108 7.127 3.932 3.932
822 2HB ASP 108 HB3 ASP 108 5.846 2.756 2.756
823 H THR 109 HN THR 109 8.330 -0.265 -0.265
824 HA THR 109 HA THR 109 7.803 -1.964 -1.964
825 HB THR 109 HB THR 109 6.090 -3.289 -3.289
826 HG1 THR 109 HG1 THR 109 5.939 -0.495 -0.495
827 1HG2 THR 109 HG21 THR 109 5.503 -1.940 -1.940
828 2HG2 THR 109 HG22 THR 109 5.151 -0.576 -0.576
829 3HG2 THR 109 HG23 THR 109 4.206 -2.079 -2.079
830 H LEU 110 HN LEU 110 8.010 -2.058 -2.058
831 HA LEU 110 HA LEU 110 9.003 -3.892 -3.892
832 1HB LEU 110 HB2 LEU 110 11.216 -2.012 -2.012
833 2HB LEU 110 HB3 LEU 110 11.212 -3.065 -3.065
834 HG LEU 110 HG LEU 110 9.301 -0.755 -0.755
835 1HD1 LEU 110 HD12 LEU 110 11.695 -0.101 -0.101
836 2HD1 LEU 110 HD13 LEU 110 11.626 -0.903 -0.903
837 3HD1 LEU 110 HD11 LEU 110 10.572 0.491 0.491
838 1HD2 LEU 110 HD23 LEU 110 9.185 -2.998 -2.998
839 2HD2 LEU 110 HD21 LEU 110 8.057 -1.632 -1.632
840 3HD2 LEU 110 HD22 LEU 110 9.440 -1.512 -1.512
841 H SER 111 HN SER 111 12.032 -3.430 -3.430
842 HA SER 111 HA SER 111 12.209 -4.781 -4.781
843 1HB SER 111 HB2 SER 111 11.267 -6.739 -6.739
844 2HB SER 111 HB3 SER 111 12.478 -7.305 -7.305
845 HG SER 111 HG SER 111 10.053 -7.493 -7.493
846 H THR 112 HN THR 112 13.175 -5.123 -5.123
847 HA THR 112 HA THR 112 15.646 -4.156 -4.156
848 HB THR 112 HB THR 112 15.532 -6.760 -6.760
849 HG1 THR 112 HG1 THR 112 17.314 -4.458 -4.458
850 1HG2 THR 112 HG21 THR 112 17.607 -6.149 -6.149
851 2HG2 THR 112 HG22 THR 112 18.002 -7.135 -7.135
852 3HG2 THR 112 HG23 THR 112 16.750 -7.682 -7.682
853 H THR 113 HN THR 113 14.598 -7.509 -7.509
854 HA THR 113 HA THR 113 15.737 -7.521 -7.521
855 HB THR 113 HB THR 113 13.204 -8.811 -8.811
856 HG1 THR 113 HG1 THR 113 15.904 -9.732 -9.732
857 1HG2 THR 113 HG23 THR 113 13.379 -8.755 -8.755
858 2HG2 THR 113 HG21 THR 113 14.805 -9.797 -9.797
859 3HG2 THR 113 HG22 THR 113 13.207 -10.346 -10.346
860 H GLN 114 HN GLN 114 12.892 -5.750 -5.750
861 HA GLN 114 HA GLN 114 12.037 -5.281 -5.281
862 1HB GLN 114 HB2 GLN 114 11.066 -4.513 -4.513
863 2HB GLN 114 HB3 GLN 114 10.511 -3.571 -3.571
864 1HG GLN 114 HG2 GLN 114 8.883 -5.203 -5.203
865 2HG GLN 114 HG3 GLN 114 10.088 -6.036 -6.036
866 1HE2 GLN 114 HE22 GLN 114 11.235 -8.130 -8.130
867 2HE2 GLN 114 HE21 GLN 114 11.862 -7.086 -7.086
868 H LYS 115 HN LYS 115 14.039 -3.743 -3.743
869 HA LYS 115 HA LYS 115 14.004 -1.170 -1.170
870 1HB LYS 115 HB2 LYS 115 15.057 -2.401 -2.401
871 2HB LYS 115 HB3 LYS 115 16.237 -1.339 -1.339
872 1HG LYS 115 HG2 LYS 115 14.920 0.565 0.565
873 2HG LYS 115 HG3 LYS 115 13.413 -0.320 -0.320
874 1HD LYS 115 HD2 LYS 115 15.273 -0.150 -0.150
875 2HD LYS 115 HD3 LYS 115 13.600 0.363 0.363
876 1HE LYS 115 HE2 LYS 115 13.108 -2.177 -2.177
877 2HE LYS 115 HE3 LYS 115 14.699 -2.464 -2.464
878 1HZ LYS 115 HZ3 LYS 115 13.832 -1.051 -1.051
879 2HZ LYS 115 HZ1 LYS 115 12.345 -1.368 -1.368
880 3HZ LYS 115 HZ2 LYS 115 13.312 -2.595 -2.595
881 H LYS 116 HN LYS 116 16.117 -4.079 -4.079
882 HA LYS 116 HA LYS 116 18.207 -2.908 -2.908
883 1HB LYS 116 HB2 LYS 116 19.057 -5.089 -5.089
884 2HB LYS 116 HB3 LYS 116 18.206 -5.077 -5.077
885 1HG LYS 116 HG2 LYS 116 17.085 -6.907 -6.907
886 2HG LYS 116 HG3 LYS 116 16.194 -5.811 -5.811
887 1HD LYS 116 HD2 LYS 116 18.866 -6.629 -6.629
888 2HD LYS 116 HD3 LYS 116 17.703 -7.932 -7.932
889 1HE LYS 116 HE2 LYS 116 16.700 -7.226 -7.226
890 2HE LYS 116 HE3 LYS 116 16.277 -5.718 -5.718
891 1HZ LYS 116 HZ3 LYS 116 18.893 -6.208 -6.208
892 2HZ LYS 116 HZ1 LYS 116 17.651 -5.470 -5.470
893 3HZ LYS 116 HZ2 LYS 116 18.324 -4.783 -4.783
894 H SER 117 HN SER 117 14.967 -3.818 -3.818
895 HA SER 117 HA SER 117 15.684 -4.049 -4.049
896 1HB SER 117 HB2 SER 117 13.659 -5.146 -5.146
897 2HB SER 117 HB3 SER 117 12.808 -3.916 -3.916
898 HG SER 117 HG SER 117 13.298 -6.292 -6.292
899 H LEU 118 HN LEU 118 14.925 -1.607 -1.607
900 HA LEU 118 HA LEU 118 13.416 0.098 0.098
901 1HB LEU 118 HB2 LEU 118 14.847 0.434 0.434
902 2HB LEU 118 HB3 LEU 118 14.128 1.800 1.800
903 HG LEU 118 HG LEU 118 12.652 -0.675 -0.675
904 1HD1 LEU 118 HD11 LEU 118 13.416 1.755 1.755
905 2HD1 LEU 118 HD12 LEU 118 11.644 1.631 1.631
906 3HD1 LEU 118 HD13 LEU 118 12.586 0.312 0.312
907 1HD2 LEU 118 HD23 LEU 118 11.776 1.725 1.725
908 2HD2 LEU 118 HD21 LEU 118 11.430 0.000 0.000
909 3HD2 LEU 118 HD22 LEU 118 10.635 0.871 0.871
910 H ASN 119 HN ASN 119 16.848 -0.590 -0.590
911 HA ASN 119 HA ASN 119 17.756 1.801 1.801
912 1HB ASN 119 HB2 ASN 119 19.553 0.914 0.914
913 2HB ASN 119 HB3 ASN 119 18.905 -0.713 -0.713
914 1HD2 ASN 119 HD22 ASN 119 20.789 -1.796 -1.796
915 2HD2 ASN 119 HD21 ASN 119 19.577 -2.116 -2.116
916 H HIS 120 HN HIS 120 17.064 -1.566 -1.566
917 HA HIS 120 HA HIS 120 18.200 -1.347 -1.347
918 1HB HIS 120 HB2 HIS 120 17.419 -3.450 -3.450
919 2HB HIS 120 HB3 HIS 120 17.270 -3.384 -3.384
920 HD1 HIS 120 HD1 HIS 120 15.196 -4.677 -4.677
921 HD2 HIS 120 HD2 HIS 120 14.641 -2.060 -2.060
922 HE1 HIS 120 HE1 HIS 120 12.726 -4.823 -4.823
923 H ARG 121 HN ARG 121 17.536 -0.375 -0.375
924 HA ARG 121 HA ARG 121 15.765 1.585 1.585
925 1HB ARG 121 HB2 ARG 121 17.134 -0.057 -0.057
926 2HB ARG 121 HB3 ARG 121 15.520 0.285 0.285
927 1HG ARG 121 HG2 ARG 121 17.671 2.282 2.282
928 2HG ARG 121 HG3 ARG 121 16.917 2.095 2.095
929 1HD ARG 121 HD2 ARG 121 14.754 2.562 2.562
930 2HD ARG 121 HD3 ARG 121 16.010 3.657 3.657
931 HE ARG 121 HE ARG 121 15.761 4.889 4.889
932 1HH1 ARG 121 HH22 ARG 121 14.275 1.727 1.727
933 2HH1 ARG 121 HH21 ARG 121 13.574 2.117 2.117
934 1HH2 ARG 121 HH12 ARG 121 14.837 5.404 5.404
935 2HH2 ARG 121 HH11 ARG 121 13.896 4.222 4.222
936 H TYR 122 HN TYR 122 14.893 -1.435 -1.435
937 HA TYR 122 HA TYR 122 12.395 -1.650 -1.650
938 1HB TYR 122 HB2 TYR 122 11.525 -0.157 -0.157
939 2HB TYR 122 HB3 TYR 122 12.838 -0.468 -0.468
940 HD1 TYR 122 HD2 TYR 122 10.139 -2.594 -2.594
941 HD2 TYR 122 HD1 TYR 122 12.080 -1.259 -1.259
942 HE1 TYR 122 HE2 TYR 122 8.612 -4.074 -4.074
943 HE2 TYR 122 HE1 TYR 122 10.545 -2.744 -2.744
944 HH TYR 122 HH TYR 122 8.158 -3.696 -3.696
945 H GLN 123 HN GLN 123 12.962 -3.766 -3.766
946 HA GLN 123 HA GLN 123 13.139 -5.918 -5.918
947 1HB GLN 123 HB2 GLN 123 11.111 -5.880 -5.880
948 2HB GLN 123 HB3 GLN 123 11.980 -5.372 -5.372
949 1HG GLN 123 HG2 GLN 123 13.276 -7.757 -7.757
950 2HG GLN 123 HG3 GLN 123 11.561 -8.072 -8.072
951 1HE2 GLN 123 HE22 GLN 123 11.149 -8.771 -8.771
952 2HE2 GLN 123 HE21 GLN 123 10.774 -9.061 -9.061
953 H MET 124 HN MET 124 15.536 -5.128 -5.128
954 HA MET 124 HA MET 124 17.005 -5.259 -5.259
955 1HB MET 124 HB2 MET 124 17.533 -5.056 -5.056
956 2HB MET 124 HB3 MET 124 18.865 -5.664 -5.664
957 1HG MET 124 HG2 MET 124 17.413 -3.176 -3.176
958 2HG MET 124 HG3 MET 124 18.554 -3.039 -3.039
959 1HE MET 124 HE3 MET 124 18.666 -1.513 -1.513
960 2HE MET 124 HE1 MET 124 20.392 -1.405 -1.405
961 3HE MET 124 HE2 MET 124 19.903 -1.874 -1.874
962 H GLY 125 HN GLY 125 15.579 -7.509 -7.509
963 1HA GLY 125 HA1 GLY 125 15.675 -9.737 -9.737
964 2HA GLY 125 HA2 GLY 125 17.415 -9.540 -9.540
965 H CYS 126 HN CYS 126 15.771 -8.486 -8.486
966 HA CYS 126 HA CYS 126 17.309 -10.065 -10.065
967 1HB CYS 126 HB2 CYS 126 16.188 -9.117 -9.117
968 2HB CYS 126 HB3 CYS 126 15.801 -7.975 -7.975
969 H GLU 127 HN GLU 127 15.536 -11.372 -11.372
970 HA GLU 127 HA GLU 127 13.658 -12.980 -12.980
971 1HB GLU 127 HB2 GLU 127 15.652 -13.882 -13.882
972 2HB GLU 127 HB3 GLU 127 16.353 -14.382 -14.382
973 1HG GLU 127 HG2 GLU 127 13.928 -15.553 -15.553
974 2HG GLU 127 HG3 GLU 127 13.976 -15.510 -15.510
Start of MODEL 39
1 H CYS 1 HN CYS 1 -7.209 -9.630 -9.630
2 HA CYS 1 HA CYS 1 -9.374 -8.944 -8.944
3 1HB CYS 1 HB2 CYS 1 -9.163 -10.694 -10.694
4 2HB CYS 1 HB3 CYS 1 -10.576 -10.723 -10.723
5 H SER 2 HN SER 2 -8.464 -9.737 -9.737
6 HA SER 2 HA SER 2 -8.051 -11.197 -11.197
7 1HB SER 2 HB2 SER 2 -9.137 -13.663 -13.663
8 2HB SER 2 HB3 SER 2 -9.834 -12.563 -12.563
9 HG SER 2 HG SER 2 -10.725 -11.329 -11.329
10 H CYS 3 HN CYS 3 -6.467 -11.140 -11.140
11 HA CYS 3 HA CYS 3 -5.357 -13.657 -13.657
12 1HB CYS 3 HB2 CYS 3 -5.190 -11.279 -11.279
13 2HB CYS 3 HB3 CYS 3 -3.624 -11.309 -11.309
14 H SER 4 HN SER 4 -2.748 -13.855 -13.855
15 HA SER 4 HA SER 4 -2.360 -13.226 -13.226
16 1HB SER 4 HB2 SER 4 -1.041 -15.239 -15.239
17 2HB SER 4 HB3 SER 4 -2.534 -15.672 -15.672
18 HG SER 4 HG SER 4 0.105 -15.714 -15.714
19 HA PRO 5 HA PRO 5 0.867 -10.794 -10.794
20 1HB PRO 5 HB2 PRO 5 1.284 -9.157 -9.157
21 2HB PRO 5 HB3 PRO 5 0.093 -8.824 -8.824
22 1HG PRO 5 HG2 PRO 5 -0.328 -9.815 -9.815
23 2HG PRO 5 HG3 PRO 5 -1.486 -9.083 -9.083
24 1HD PRO 5 HD2 PRO 5 -1.244 -11.871 -11.871
25 2HD PRO 5 HD3 PRO 5 -2.323 -11.152 -11.152
26 H VAL 6 HN VAL 6 2.905 -11.417 -11.417
27 HA VAL 6 HA VAL 6 4.422 -12.046 -12.046
28 HB VAL 6 HB VAL 6 3.232 -14.140 -14.140
29 1HG1 VAL 6 HG13 VAL 6 4.158 -13.398 -13.398
30 2HG1 VAL 6 HG11 VAL 6 4.828 -14.989 -14.989
31 3HG1 VAL 6 HG12 VAL 6 3.069 -14.723 -14.723
32 1HG2 VAL 6 HG21 VAL 6 6.068 -13.742 -13.742
33 2HG2 VAL 6 HG22 VAL 6 4.981 -15.000 -15.000
34 3HG2 VAL 6 HG23 VAL 6 5.778 -15.225 -15.225
35 H HIS 7 HN HIS 7 6.104 -13.584 -13.584
36 HA HIS 7 HA HIS 7 8.049 -12.957 -12.957
37 1HB HIS 7 HB2 HIS 7 7.431 -11.281 -11.281
38 2HB HIS 7 HB3 HIS 7 7.111 -13.004 -13.004
39 HD1 HIS 7 HD1 HIS 7 4.779 -13.588 -13.588
40 HD2 HIS 7 HD2 HIS 7 4.995 -9.820 -9.820
41 HE1 HIS 7 HE1 HIS 7 2.416 -12.630 -12.630
42 HA PRO 8 HA PRO 8 8.804 -9.150 -9.150
43 1HB PRO 8 HB2 PRO 8 11.115 -9.949 -9.949
44 2HB PRO 8 HB3 PRO 8 9.533 -10.129 -10.129
45 1HG PRO 8 HG2 PRO 8 11.251 -12.195 -12.195
46 2HG PRO 8 HG3 PRO 8 9.896 -12.403 -12.403
47 1HD PRO 8 HD2 PRO 8 9.897 -12.834 -12.834
48 2HD PRO 8 HD3 PRO 8 8.515 -12.930 -12.930
49 H GLN 9 HN GLN 9 10.011 -10.599 -10.599
50 HA GLN 9 HA GLN 9 11.699 -8.287 -8.287
51 1HB GLN 9 HB2 GLN 9 13.308 -9.979 -9.979
52 2HB GLN 9 HB3 GLN 9 12.532 -11.190 -11.190
53 1HG GLN 9 HG2 GLN 9 14.569 -10.313 -10.313
54 2HG GLN 9 HG3 GLN 9 13.141 -9.945 -9.945
55 1HE2 GLN 9 HE22 GLN 9 14.553 -6.839 -6.839
56 2HE2 GLN 9 HE21 GLN 9 14.310 -8.433 -8.433
57 H GLN 10 HN GLN 10 9.997 -11.191 -11.191
58 HA GLN 10 HA GLN 10 10.150 -10.397 -10.397
59 1HB GLN 10 HB2 GLN 10 7.845 -12.045 -12.045
60 2HB GLN 10 HB3 GLN 10 8.749 -12.234 -12.234
61 1HG GLN 10 HG2 GLN 10 10.795 -12.694 -12.694
62 2HG GLN 10 HG3 GLN 10 9.525 -13.057 -13.057
63 1HE2 GLN 10 HE22 GLN 10 9.911 -16.343 -16.343
64 2HE2 GLN 10 HE21 GLN 10 10.346 -15.201 -15.201
65 H ALA 11 HN ALA 11 8.632 -8.869 -8.869
66 HA ALA 11 HA ALA 11 6.230 -8.107 -8.107
67 1HB ALA 11 HB1 ALA 11 7.311 -8.001 -8.001
68 2HB ALA 11 HB2 ALA 11 6.528 -6.476 -6.476
69 3HB ALA 11 HB3 ALA 11 5.620 -8.006 -8.006
70 H PHE 12 HN PHE 12 9.484 -6.827 -6.827
71 HA PHE 12 HA PHE 12 8.802 -4.269 -4.269
72 1HB PHE 12 HB2 PHE 12 11.331 -5.562 -5.562
73 2HB PHE 12 HB3 PHE 12 11.297 -3.906 -3.906
74 HD1 PHE 12 HD1 PHE 12 8.908 -5.896 -5.896
75 HD2 PHE 12 HD2 PHE 12 11.409 -2.478 -2.478
76 HE1 PHE 12 HE1 PHE 12 8.112 -5.135 -5.135
77 HE2 PHE 12 HE2 PHE 12 10.614 -1.717 -1.717
78 HZ PHE 12 HZ PHE 12 8.975 -3.055 -3.055
79 H CYS 13 HN CYS 13 9.538 -7.289 -7.289
80 HA CYS 13 HA CYS 13 11.188 -6.181 -6.181
81 1HB CYS 13 HB2 CYS 13 10.961 -8.868 -8.868
82 2HB CYS 13 HB3 CYS 13 11.235 -8.826 -8.826
83 H ASN 14 HN ASN 14 8.010 -7.141 -7.141
84 HA ASN 14 HA ASN 14 7.264 -7.831 -7.831
85 1HB ASN 14 HB2 ASN 14 6.319 -8.534 -8.534
86 2HB ASN 14 HB3 ASN 14 5.022 -7.625 -7.625
87 1HD2 ASN 14 HD21 ASN 14 6.684 -10.570 -10.570
88 2HD2 ASN 14 HD22 ASN 14 5.899 -11.433 -11.433
89 H ALA 15 HN ALA 15 6.762 -5.387 -5.387
90 HA ALA 15 HA ALA 15 4.731 -3.908 -3.908
91 1HB ALA 15 HB2 ALA 15 5.558 -3.632 -3.632
92 2HB ALA 15 HB3 ALA 15 7.103 -3.003 -3.003
93 3HB ALA 15 HB1 ALA 15 5.602 -2.080 -2.080
94 H ASP 16 HN ASP 16 5.129 -1.501 -1.501
95 HA ASP 16 HA ASP 16 7.442 -1.342 -1.342
96 1HB ASP 16 HB2 ASP 16 4.635 -1.754 -1.754
97 2HB ASP 16 HB3 ASP 16 5.552 -0.517 -0.517
98 H VAL 17 HN VAL 17 5.824 -0.039 -0.039
99 HA VAL 17 HA VAL 17 6.424 2.641 2.641
100 HB VAL 17 HB VAL 17 4.387 2.578 2.578
101 1HG1 VAL 17 HG13 VAL 17 3.377 1.034 1.034
102 2HG1 VAL 17 HG11 VAL 17 2.226 2.066 2.066
103 3HG1 VAL 17 HG12 VAL 17 3.106 0.781 0.781
104 1HG2 VAL 17 HG23 VAL 17 4.806 4.580 4.580
105 2HG2 VAL 17 HG21 VAL 17 3.076 4.288 4.288
106 3HG2 VAL 17 HG22 VAL 17 3.792 3.859 3.859
107 H VAL 18 HN VAL 18 7.739 2.390 2.390
108 HA VAL 18 HA VAL 18 6.268 1.919 1.919
109 HB VAL 18 HB VAL 18 9.223 2.210 2.210
110 1HG1 VAL 18 HG13 VAL 18 7.162 1.029 1.029
111 2HG1 VAL 18 HG11 VAL 18 8.453 -0.142 -0.142
112 3HG1 VAL 18 HG12 VAL 18 8.854 1.424 1.424
113 1HG2 VAL 18 HG22 VAL 18 8.023 0.618 0.618
114 2HG2 VAL 18 HG23 VAL 18 9.706 0.519 0.519
115 3HG2 VAL 18 HG21 VAL 18 8.458 -0.524 -0.524
116 H ILE 19 HN ILE 19 5.624 3.639 3.639
117 HA ILE 19 HA ILE 19 7.338 5.980 5.980
118 HB ILE 19 HB ILE 19 5.603 7.518 7.518
119 1HG1 ILE 19 HG12 ILE 19 3.847 5.121 5.121
120 2HG1 ILE 19 HG13 ILE 19 3.565 6.772 6.772
121 1HG2 ILE 19 HG21 ILE 19 6.975 6.321 6.321
122 2HG2 ILE 19 HG22 ILE 19 5.480 5.426 5.426
123 3HG2 ILE 19 HG23 ILE 19 5.514 7.200 7.200
124 1HD1 ILE 19 HD12 ILE 19 3.548 7.352 7.352
125 2HD1 ILE 19 HD13 ILE 19 3.320 5.602 5.602
126 3HD1 ILE 19 HD11 ILE 19 2.125 6.542 6.542
127 H ARG 20 HN ARG 20 7.610 6.584 6.584
128 HA ARG 20 HA ARG 20 6.065 5.285 5.285
129 1HB ARG 20 HB2 ARG 20 8.539 5.951 5.951
130 2HB ARG 20 HB3 ARG 20 8.014 7.610 7.610
131 1HG ARG 20 HG2 ARG 20 6.448 6.117 6.117
132 2HG ARG 20 HG3 ARG 20 8.060 5.441 5.441
133 1HD ARG 20 HD2 ARG 20 7.324 8.395 8.395
134 2HD ARG 20 HD3 ARG 20 7.808 7.325 7.325
135 HE ARG 20 HE ARG 20 9.763 7.496 7.496
136 1HH1 ARG 20 HH22 ARG 20 8.707 8.862 8.862
137 2HH1 ARG 20 HH21 ARG 20 10.248 9.566 9.566
138 1HH2 ARG 20 HH12 ARG 20 11.796 8.425 8.425
139 2HH2 ARG 20 HH11 ARG 20 12.016 9.315 9.315
140 H THR 21 HN THR 21 4.364 6.842 6.842
141 HA THR 21 HA THR 21 3.841 9.415 9.415
142 HB THR 21 HB THR 21 3.043 8.649 8.649
143 HG1 THR 21 HG1 THR 21 1.680 10.108 10.108
144 1HG2 THR 21 HG21 THR 21 2.639 6.189 6.189
145 2HG2 THR 21 HG22 THR 21 1.037 6.829 6.829
146 3HG2 THR 21 HG23 THR 21 1.561 6.831 6.831
147 H LYS 22 HN LYS 22 1.565 9.968 9.968
148 HA LYS 22 HA LYS 22 1.100 8.124 8.124
149 1HB LYS 22 HB2 LYS 22 0.951 9.955 9.955
150 2HB LYS 22 HB3 LYS 22 2.488 10.067 10.067
151 1HG LYS 22 HG2 LYS 22 1.631 11.812 11.812
152 2HG LYS 22 HG3 LYS 22 0.001 11.604 11.604
153 1HD LYS 22 HD2 LYS 22 2.408 12.764 12.764
154 2HD LYS 22 HD3 LYS 22 0.872 13.540 13.540
155 1HE LYS 22 HE2 LYS 22 -0.195 11.680 11.680
156 2HE LYS 22 HE3 LYS 22 1.438 11.310 11.310
157 1HZ LYS 22 HZ1 LYS 22 1.647 13.661 13.661
158 2HZ LYS 22 HZ2 LYS 22 0.070 13.893 13.893
159 3HZ LYS 22 HZ3 LYS 22 0.497 12.873 12.873
160 H ALA 23 HN ALA 23 -0.944 7.372 7.372
161 HA ALA 23 HA ALA 23 -2.899 8.837 8.837
162 1HB ALA 23 HB1 ALA 23 -2.561 6.428 6.428
163 2HB ALA 23 HB2 ALA 23 -2.962 6.073 6.073
164 3HB ALA 23 HB3 ALA 23 -4.202 6.746 6.746
165 H VAL 24 HN VAL 24 -3.667 10.552 10.552
166 HA VAL 24 HA VAL 24 -4.486 9.946 9.946
167 HB VAL 24 HB VAL 24 -4.684 12.476 12.476
168 1HG1 VAL 24 HG12 VAL 24 -2.189 10.858 10.858
169 2HG1 VAL 24 HG13 VAL 24 -2.005 12.629 12.629
170 3HG1 VAL 24 HG11 VAL 24 -2.846 11.798 11.798
171 1HG2 VAL 24 HG23 VAL 24 -4.740 12.771 12.771
172 2HG2 VAL 24 HG21 VAL 24 -3.570 13.811 13.811
173 3HG2 VAL 24 HG22 VAL 24 -3.008 12.366 12.366
174 H SER 25 HN SER 25 -5.611 11.003 11.003
175 HA SER 25 HA SER 25 -8.320 10.906 10.906
176 1HB SER 25 HB2 SER 25 -8.082 13.098 13.098
177 2HB SER 25 HB3 SER 25 -7.040 12.612 12.612
178 HG SER 25 HG SER 25 -8.942 11.554 11.554
179 H GLU 26 HN GLU 26 -9.998 10.168 10.168
180 HA GLU 26 HA GLU 26 -8.847 8.439 8.439
181 1HB GLU 26 HB2 GLU 26 -10.408 7.467 7.467
182 2HB GLU 26 HB3 GLU 26 -10.566 6.614 6.614
183 1HG GLU 26 HG2 GLU 26 -8.680 5.486 5.486
184 2HG GLU 26 HG3 GLU 26 -7.805 6.952 6.952
185 H LYS 27 HN LYS 27 -11.115 7.115 7.115
186 HA LYS 27 HA LYS 27 -13.301 8.984 8.984
187 1HB LYS 27 HB2 LYS 27 -11.734 9.903 9.903
188 2HB LYS 27 HB3 LYS 27 -11.703 8.360 8.360
189 1HG LYS 27 HG2 LYS 27 -13.847 8.605 8.605
190 2HG LYS 27 HG3 LYS 27 -14.422 9.501 9.501
191 1HD LYS 27 HD2 LYS 27 -14.198 10.856 10.856
192 2HD LYS 27 HD3 LYS 27 -13.414 11.548 11.548
193 1HE LYS 27 HE2 LYS 27 -11.225 10.656 10.656
194 2HE LYS 27 HE3 LYS 27 -11.977 9.827 9.827
195 1HZ LYS 27 HZ1 LYS 27 -12.350 12.700 12.700
196 2HZ LYS 27 HZ2 LYS 27 -10.944 12.135 12.135
197 3HZ LYS 27 HZ3 LYS 27 -12.356 11.786 11.786
198 H GLU 28 HN GLU 28 -15.083 7.751 7.751
199 HA GLU 28 HA GLU 28 -14.844 4.952 4.952
200 1HB GLU 28 HB2 GLU 28 -16.112 5.816 5.816
201 2HB GLU 28 HB3 GLU 28 -17.201 6.684 6.684
202 1HG GLU 28 HG2 GLU 28 -17.429 4.158 4.158
203 2HG GLU 28 HG3 GLU 28 -17.081 3.760 3.760
204 H VAL 29 HN VAL 29 -14.638 4.496 4.496
205 HA VAL 29 HA VAL 29 -16.790 5.534 5.534
206 HB VAL 29 HB VAL 29 -15.256 5.049 5.049
207 1HG1 VAL 29 HG12 VAL 29 -15.256 7.213 7.213
208 2HG1 VAL 29 HG13 VAL 29 -13.547 6.726 6.726
209 3HG1 VAL 29 HG11 VAL 29 -14.266 7.080 7.080
210 1HG2 VAL 29 HG23 VAL 29 -13.868 3.523 3.523
211 2HG2 VAL 29 HG21 VAL 29 -13.448 3.764 3.764
212 3HG2 VAL 29 HG22 VAL 29 -12.784 4.854 4.854
213 H ASP 30 HN ASP 30 -18.408 4.009 4.009
214 HA ASP 30 HA ASP 30 -18.087 1.378 1.378
215 1HB ASP 30 HB2 ASP 30 -20.315 2.359 2.359
216 2HB ASP 30 HB3 ASP 30 -20.394 1.130 1.130
217 H SER 31 HN SER 31 -17.920 -0.521 -0.521
218 HA SER 31 HA SER 31 -17.482 0.071 0.071
219 1HB SER 31 HB2 SER 31 -15.319 -0.465 -0.465
220 2HB SER 31 HB3 SER 31 -15.875 -1.572 -1.572
221 HG SER 31 HG SER 31 -15.078 -2.144 -2.144
222 H GLY 32 HN GLY 32 -19.999 -0.672 -0.672
223 1HA GLY 32 HA1 GLY 32 -21.695 -2.136 -2.136
224 2HA GLY 32 HA2 GLY 32 -20.964 -2.614 -2.614
225 H ASN 33 HN ASN 33 -22.044 -4.742 -4.742
226 HA ASN 33 HA ASN 33 -20.568 -6.050 -6.050
227 1HB ASN 33 HB2 ASN 33 -22.529 -7.427 -7.427
228 2HB ASN 33 HB3 ASN 33 -22.201 -7.792 -7.792
229 1HD2 ASN 33 HD22 ASN 33 -25.492 -6.031 -6.031
230 2HD2 ASN 33 HD21 ASN 33 -24.751 -7.431 -7.431
231 H ASP 34 HN ASP 34 -19.701 -8.380 -8.380
232 HA ASP 34 HA ASP 34 -18.183 -8.162 -8.162
233 1HB ASP 34 HB2 ASP 34 -17.348 -8.799 -8.799
234 2HB ASP 34 HB3 ASP 34 -17.868 -10.407 -10.407
235 H ILE 35 HN ILE 35 -17.649 -11.057 -11.057
236 HA ILE 35 HA ILE 35 -20.061 -11.817 -11.817
237 HB ILE 35 HB ILE 35 -17.390 -13.190 -13.190
238 1HG1 ILE 35 HG12 ILE 35 -17.158 -12.446 -12.446
239 2HG1 ILE 35 HG13 ILE 35 -18.526 -11.387 -11.387
240 1HG2 ILE 35 HG22 ILE 35 -19.910 -13.961 -13.961
241 2HG2 ILE 35 HG23 ILE 35 -18.352 -14.316 -14.316
242 3HG2 ILE 35 HG21 ILE 35 -18.703 -14.969 -14.969
243 1HD1 ILE 35 HD13 ILE 35 -16.209 -11.323 -11.323
244 2HD1 ILE 35 HD11 ILE 35 -16.072 -10.484 -10.484
245 3HD1 ILE 35 HD12 ILE 35 -17.360 -10.031 -10.031
246 H TYR 36 HN TYR 36 -19.278 -11.780 -11.780
247 HA TYR 36 HA TYR 36 -20.466 -14.416 -14.416
248 1HB TYR 36 HB2 TYR 36 -18.148 -13.299 -13.299
249 2HB TYR 36 HB3 TYR 36 -19.240 -12.521 -12.521
250 HD1 TYR 36 HD1 TYR 36 -19.001 -16.005 -16.005
251 HD2 TYR 36 HD2 TYR 36 -19.159 -13.523 -13.523
252 HE1 TYR 36 HE1 TYR 36 -18.952 -18.069 -18.069
253 HE2 TYR 36 HE2 TYR 36 -19.109 -15.595 -15.595
254 HH TYR 36 HH TYR 36 -19.416 -18.786 -18.786
255 H GLY 37 HN GLY 37 -21.338 -11.202 -11.202
256 1HA GLY 37 HA1 GLY 37 -23.431 -10.335 -10.335
257 2HA GLY 37 HA2 GLY 37 -23.774 -11.611 -11.611
258 H ASN 38 HN ASN 38 -20.751 -10.719 -10.719
259 HA ASN 38 HA ASN 38 -21.805 -9.147 -9.147
260 1HB ASN 38 HB2 ASN 38 -19.301 -9.156 -9.156
261 2HB ASN 38 HB3 ASN 38 -20.108 -10.712 -10.712
262 1HD2 ASN 38 HD22 ASN 38 -16.876 -11.201 -11.201
263 2HD2 ASN 38 HD21 ASN 38 -17.513 -10.850 -10.850
264 HA PRO 39 HA PRO 39 -20.513 -5.303 -5.303
265 1HB PRO 39 HB2 PRO 39 -20.129 -3.797 -3.797
266 2HB PRO 39 HB3 PRO 39 -21.711 -4.113 -4.113
267 1HG PRO 39 HG2 PRO 39 -20.461 -5.290 -5.290
268 2HG PRO 39 HG3 PRO 39 -22.153 -5.261 -5.261
269 1HD PRO 39 HD2 PRO 39 -20.360 -7.492 -7.492
270 2HD PRO 39 HD3 PRO 39 -22.020 -7.427 -7.427
271 H ILE 40 HN ILE 40 -18.758 -4.569 -4.569
272 HA ILE 40 HA ILE 40 -16.270 -5.620 -5.620
273 HB ILE 40 HB ILE 40 -17.079 -3.628 -3.628
274 1HG1 ILE 40 HG12 ILE 40 -16.209 -6.530 -6.530
275 2HG1 ILE 40 HG13 ILE 40 -17.837 -5.925 -5.925
276 1HG2 ILE 40 HG22 ILE 40 -14.328 -4.750 -4.750
277 2HG2 ILE 40 HG23 ILE 40 -14.783 -3.887 -3.887
278 3HG2 ILE 40 HG21 ILE 40 -14.836 -3.047 -3.047
279 1HD1 ILE 40 HD11 ILE 40 -16.551 -4.359 -4.359
280 2HD1 ILE 40 HD12 ILE 40 -15.476 -5.778 -5.778
281 3HD1 ILE 40 HD13 ILE 40 -17.205 -5.966 -5.966
282 H LYS 41 HN LYS 41 -16.916 -2.127 -2.127
283 HA LYS 41 HA LYS 41 -16.462 -0.306 -0.306
284 1HB LYS 41 HB2 LYS 41 -17.001 -2.262 -2.262
285 2HB LYS 41 HB3 LYS 41 -15.808 -1.096 -1.096
286 1HG LYS 41 HG2 LYS 41 -18.279 -0.109 -0.109
287 2HG LYS 41 HG3 LYS 41 -18.408 -0.574 -0.574
288 1HD LYS 41 HD2 LYS 41 -17.914 1.878 1.878
289 2HD LYS 41 HD3 LYS 41 -16.727 1.056 1.056
290 1HE LYS 41 HE2 LYS 41 -15.182 0.864 0.864
291 2HE LYS 41 HE3 LYS 41 -16.386 1.537 1.537
292 1HZ LYS 41 HZ3 LYS 41 -15.789 3.140 3.140
293 2HZ LYS 41 HZ1 LYS 41 -14.562 2.981 2.981
294 3HZ LYS 41 HZ2 LYS 41 -15.995 3.588 3.588
295 H ARG 42 HN ARG 42 -14.626 0.805 0.805
296 HA ARG 42 HA ARG 42 -12.162 -0.440 -0.440
297 1HB ARG 42 HB2 ARG 42 -11.310 0.776 0.776
298 2HB ARG 42 HB3 ARG 42 -11.729 -0.922 -0.922
299 1HG ARG 42 HG2 ARG 42 -14.137 -0.266 -0.266
300 2HG ARG 42 HG3 ARG 42 -13.551 1.356 1.356
301 1HD ARG 42 HD2 ARG 42 -11.781 0.108 0.108
302 2HD ARG 42 HD3 ARG 42 -12.951 -1.196 -1.196
303 HE ARG 42 HE ARG 42 -14.175 1.391 1.391
304 1HH1 ARG 42 HH22 ARG 42 -12.497 -1.373 -1.373
305 2HH1 ARG 42 HH21 ARG 42 -13.139 -1.125 -1.125
306 1HH2 ARG 42 HH12 ARG 42 -15.021 1.718 1.718
307 2HH2 ARG 42 HH11 ARG 42 -14.585 0.645 0.645
308 H ILE 43 HN ILE 43 -12.510 1.205 1.205
309 HA ILE 43 HA ILE 43 -12.814 3.892 3.892
310 HB ILE 43 HB ILE 43 -12.280 2.150 2.150
311 1HG1 ILE 43 HG12 ILE 43 -12.593 4.565 4.565
312 2HG1 ILE 43 HG13 ILE 43 -13.187 4.943 4.943
313 1HG2 ILE 43 HG21 ILE 43 -9.858 2.810 2.810
314 2HG2 ILE 43 HG22 ILE 43 -10.328 4.450 4.450
315 3HG2 ILE 43 HG23 ILE 43 -10.529 3.081 3.081
316 1HD1 ILE 43 HD12 ILE 43 -14.405 2.518 2.518
317 2HD1 ILE 43 HD13 ILE 43 -14.331 3.128 3.128
318 3HD1 ILE 43 HD11 ILE 43 -15.152 4.080 4.080
319 H GLN 44 HN GLN 44 -11.289 5.698 5.698
320 HA GLN 44 HA GLN 44 -9.018 5.019 5.019
321 1HB GLN 44 HB2 GLN 44 -10.339 7.660 7.660
322 2HB GLN 44 HB3 GLN 44 -8.860 7.577 7.577
323 1HG GLN 44 HG2 GLN 44 -11.638 6.652 6.652
324 2HG GLN 44 HG3 GLN 44 -10.524 7.650 7.650
325 1HE2 GLN 44 HE22 GLN 44 -10.337 3.532 3.532
326 2HE2 GLN 44 HE21 GLN 44 -11.264 4.407 4.407
327 H TYR 45 HN TYR 45 -7.051 6.763 6.763
328 HA TYR 45 HA TYR 45 -6.568 6.713 6.713
329 1HB TYR 45 HB2 TYR 45 -5.198 5.363 5.363
330 2HB TYR 45 HB3 TYR 45 -4.102 6.202 6.202
331 HD1 TYR 45 HD2 TYR 45 -5.719 5.700 5.700
332 HD2 TYR 45 HD1 TYR 45 -4.488 3.130 3.130
333 HE1 TYR 45 HE2 TYR 45 -5.755 3.708 3.708
334 HE2 TYR 45 HE1 TYR 45 -4.528 1.148 1.148
335 HH TYR 45 HH TYR 45 -4.779 0.488 0.488
336 H GLU 46 HN GLU 46 -7.303 9.049 9.049
337 HA GLU 46 HA GLU 46 -5.660 10.638 10.638
338 1HB GLU 46 HB2 GLU 46 -8.061 11.017 11.017
339 2HB GLU 46 HB3 GLU 46 -7.116 11.783 11.783
340 1HG GLU 46 HG2 GLU 46 -6.126 13.354 13.354
341 2HG GLU 46 HG3 GLU 46 -6.822 12.497 12.497
342 H ILE 47 HN ILE 47 -3.519 9.714 9.714
343 HA ILE 47 HA ILE 47 -2.638 10.288 10.288
344 HB ILE 47 HB ILE 47 -0.439 9.658 9.658
345 1HG1 ILE 47 HG12 ILE 47 -1.826 9.901 9.901
346 2HG1 ILE 47 HG13 ILE 47 -0.277 10.546 10.546
347 1HG2 ILE 47 HG23 ILE 47 -2.755 8.064 8.064
348 2HG2 ILE 47 HG21 ILE 47 -1.874 7.505 7.505
349 3HG2 ILE 47 HG22 ILE 47 -1.056 7.552 7.552
350 1HD1 ILE 47 HD11 ILE 47 -0.129 7.700 7.700
351 2HD1 ILE 47 HD12 ILE 47 -0.833 8.022 8.022
352 3HD1 ILE 47 HD13 ILE 47 0.747 8.716 8.716
353 H LYS 48 HN LYS 48 -0.139 11.515 11.515
354 HA LYS 48 HA LYS 48 -0.822 14.134 14.134
355 1HB LYS 48 HB2 LYS 48 -1.071 13.784 13.784
356 2HB LYS 48 HB3 LYS 48 0.668 13.992 13.992
357 1HG LYS 48 HG2 LYS 48 0.513 16.181 16.181
358 2HG LYS 48 HG3 LYS 48 -1.153 15.940 15.940
359 1HD LYS 48 HD2 LYS 48 -0.625 17.378 17.378
360 2HD LYS 48 HD3 LYS 48 -1.994 16.284 16.284
361 1HE LYS 48 HE2 LYS 48 -0.756 14.592 14.592
362 2HE LYS 48 HE3 LYS 48 0.764 15.431 15.431
363 1HZ LYS 48 HZ2 LYS 48 -0.416 17.319 17.319
364 2HZ LYS 48 HZ3 LYS 48 -1.446 16.164 16.164
365 3HZ LYS 48 HZ1 LYS 48 0.146 16.054 16.054
366 H GLN 49 HN GLN 49 0.913 11.563 11.563
367 HA GLN 49 HA GLN 49 2.982 11.070 11.070
368 1HB GLN 49 HB2 GLN 49 2.592 11.921 11.921
369 2HB GLN 49 HB3 GLN 49 2.124 13.498 13.498
370 1HG GLN 49 HG2 GLN 49 4.290 14.320 14.320
371 2HG GLN 49 HG3 GLN 49 5.003 12.774 12.774
372 1HE2 GLN 49 HE22 GLN 49 5.075 11.473 11.473
373 2HE2 GLN 49 HE21 GLN 49 4.815 11.040 11.040
374 H ILE 50 HN ILE 50 4.547 10.947 10.947
375 HA ILE 50 HA ILE 50 5.743 13.498 13.498
376 HB ILE 50 HB ILE 50 5.496 12.918 12.918
377 1HG1 ILE 50 HG12 ILE 50 6.827 10.352 10.352
378 2HG1 ILE 50 HG13 ILE 50 7.470 11.661 11.661
379 1HG2 ILE 50 HG22 ILE 50 3.370 11.952 11.952
380 2HG2 ILE 50 HG23 ILE 50 4.104 10.359 10.359
381 3HG2 ILE 50 HG21 ILE 50 3.769 11.460 11.460
382 1HD1 ILE 50 HD13 ILE 50 5.481 11.032 11.032
383 2HD1 ILE 50 HD11 ILE 50 5.545 9.474 9.474
384 3HD1 ILE 50 HD12 ILE 50 6.983 10.077 10.077
385 H LYS 51 HN LYS 51 6.168 10.265 10.265
386 HA LYS 51 HA LYS 51 8.872 10.982 10.982
387 1HB LYS 51 HB2 LYS 51 8.449 9.444 9.444
388 2HB LYS 51 HB3 LYS 51 8.926 8.292 8.292
389 1HG LYS 51 HG2 LYS 51 10.671 10.435 10.435
390 2HG LYS 51 HG3 LYS 51 10.516 10.426 10.426
391 1HD LYS 51 HD2 LYS 51 11.449 8.285 8.285
392 2HD LYS 51 HD3 LYS 51 10.942 7.778 7.778
393 1HE LYS 51 HE2 LYS 51 12.719 8.942 8.942
394 2HE LYS 51 HE3 LYS 51 12.994 9.994 9.994
395 1HZ LYS 51 HZ1 LYS 51 13.488 7.098 7.098
396 2HZ LYS 51 HZ2 LYS 51 14.640 8.233 8.233
397 3HZ LYS 51 HZ3 LYS 51 13.846 8.145 8.145
398 H MET 52 HN MET 52 9.779 9.376 9.376
399 HA MET 52 HA MET 52 7.745 7.713 7.713
400 1HB MET 52 HB2 MET 52 8.329 8.751 8.751
401 2HB MET 52 HB3 MET 52 7.398 9.786 9.786
402 1HG MET 52 HG2 MET 52 9.062 11.339 11.339
403 2HG MET 52 HG3 MET 52 10.258 10.134 10.134
404 1HE MET 52 HE2 MET 52 10.920 12.520 12.520
405 2HE MET 52 HE3 MET 52 12.238 11.340 11.340
406 3HE MET 52 HE1 MET 52 11.570 12.180 12.180
407 H PHE 53 HN PHE 53 9.251 6.074 6.074
408 HA PHE 53 HA PHE 53 11.922 5.912 5.912
409 1HB PHE 53 HB2 PHE 53 9.618 3.965 3.965
410 2HB PHE 53 HB3 PHE 53 11.194 3.305 3.305
411 HD1 PHE 53 HD2 PHE 53 13.086 4.852 4.852
412 HD2 PHE 53 HD1 PHE 53 9.171 3.695 3.695
413 HE1 PHE 53 HE2 PHE 53 13.750 5.021 5.021
414 HE2 PHE 53 HE1 PHE 53 9.835 3.864 3.864
415 HZ PHE 53 HZ PHE 53 12.117 4.526 4.526
416 H LYS 54 HN LYS 54 9.367 3.967 3.967
417 HA LYS 54 HA LYS 54 10.858 4.429 4.429
418 1HB LYS 54 HB2 LYS 54 11.450 2.208 2.208
419 2HB LYS 54 HB3 LYS 54 9.808 1.702 1.702
420 1HG LYS 54 HG2 LYS 54 11.572 1.082 1.082
421 2HG LYS 54 HG3 LYS 54 10.117 1.852 1.852
422 1HD LYS 54 HD2 LYS 54 11.234 4.008 4.008
423 2HD LYS 54 HD3 LYS 54 12.638 3.429 3.429
424 1HE LYS 54 HE2 LYS 54 13.552 2.493 2.493
425 2HE LYS 54 HE3 LYS 54 12.043 1.726 1.726
426 1HZ LYS 54 HZ1 LYS 54 12.650 4.569 4.569
427 2HZ LYS 54 HZ2 LYS 54 12.761 3.409 3.409
428 3HZ LYS 54 HZ3 LYS 54 11.307 3.786 3.786
429 H GLY 55 HN GLY 55 9.474 3.790 3.790
430 1HA GLY 55 HA1 GLY 55 7.111 3.257 3.257
431 2HA GLY 55 HA2 GLY 55 6.659 4.485 4.485
432 HA PRO 56 HA PRO 56 6.881 6.897 6.897
433 1HB PRO 56 HB2 PRO 56 5.064 8.794 8.794
434 2HB PRO 56 HB3 PRO 56 4.618 7.314 7.314
435 1HG PRO 56 HG2 PRO 56 4.274 8.022 8.022
436 2HG PRO 56 HG3 PRO 56 3.475 6.765 6.765
437 1HD PRO 56 HD2 PRO 56 5.611 6.417 6.417
438 2HD PRO 56 HD3 PRO 56 4.890 5.178 5.178
439 H GLU 57 HN GLU 57 6.759 9.608 9.608
440 HA GLU 57 HA GLU 57 9.002 10.245 10.245
441 1HB GLU 57 HB2 GLU 57 8.468 11.836 11.836
442 2HB GLU 57 HB3 GLU 57 9.995 11.469 11.469
443 1HG GLU 57 HG2 GLU 57 9.611 9.011 9.011
444 2HG GLU 57 HG3 GLU 57 8.277 9.582 9.582
445 H LYS 58 HN LYS 58 5.793 11.166 11.166
446 HA LYS 58 HA LYS 58 5.876 13.787 13.787
447 1HB LYS 58 HB2 LYS 58 4.451 12.757 12.757
448 2HB LYS 58 HB3 LYS 58 3.321 12.391 12.391
449 1HG LYS 58 HG2 LYS 58 2.580 14.529 14.529
450 2HG LYS 58 HG3 LYS 58 4.039 15.011 15.011
451 1HD LYS 58 HD2 LYS 58 3.829 14.686 14.686
452 2HD LYS 58 HD3 LYS 58 3.690 16.218 16.218
453 1HE LYS 58 HE2 LYS 58 6.036 15.475 15.475
454 2HE LYS 58 HE3 LYS 58 6.126 14.467 14.467
455 1HZ LYS 58 HZ1 LYS 58 5.584 16.547 16.547
456 2HZ LYS 58 HZ2 LYS 58 5.882 17.381 17.381
457 3HZ LYS 58 HZ3 LYS 58 7.067 16.494 16.494
458 H ASP 59 HN ASP 59 3.514 11.147 11.147
459 HA ASP 59 HA ASP 59 4.117 10.445 10.445
460 1HB ASP 59 HB2 ASP 59 4.383 12.624 12.624
461 2HB ASP 59 HB3 ASP 59 2.991 13.259 13.259
462 H ILE 60 HN ILE 60 2.016 9.913 9.913
463 HA ILE 60 HA ILE 60 -0.165 9.457 9.457
464 HB ILE 60 HB ILE 60 0.095 8.023 8.023
465 1HG1 ILE 60 HG12 ILE 60 2.357 8.040 8.040
466 2HG1 ILE 60 HG13 ILE 60 1.671 6.471 6.471
467 1HG2 ILE 60 HG23 ILE 60 -1.877 7.846 7.846
468 2HG2 ILE 60 HG21 ILE 60 -0.765 6.949 6.949
469 3HG2 ILE 60 HG22 ILE 60 -1.135 6.331 6.331
470 1HD1 ILE 60 HD11 ILE 60 1.256 7.800 7.800
471 2HD1 ILE 60 HD12 ILE 60 2.660 6.762 6.762
472 3HD1 ILE 60 HD13 ILE 60 1.013 6.090 6.090
473 H GLU 61 HN GLU 61 0.101 9.767 9.767
474 HA GLU 61 HA GLU 61 -0.914 11.089 11.089
475 1HB GLU 61 HB2 GLU 61 -1.013 12.678 12.678
476 2HB GLU 61 HB3 GLU 61 -2.487 12.925 12.925
477 1HG GLU 61 HG2 GLU 61 -1.390 13.918 13.918
478 2HG GLU 61 HG3 GLU 61 0.040 12.921 12.921
479 H PHE 62 HN PHE 62 -2.423 9.232 9.232
480 HA PHE 62 HA PHE 62 -4.796 9.014 9.014
481 1HB PHE 62 HB2 PHE 62 -4.558 10.245 10.245
482 2HB PHE 62 HB3 PHE 62 -5.658 8.881 8.881
483 HD1 PHE 62 HD1 PHE 62 -7.438 8.865 8.865
484 HD2 PHE 62 HD2 PHE 62 -5.418 12.320 12.320
485 HE1 PHE 62 HE1 PHE 62 -9.266 10.311 10.311
486 HE2 PHE 62 HE2 PHE 62 -7.246 13.767 13.767
487 HZ PHE 62 HZ PHE 62 -9.149 12.746 12.746
488 H ILE 63 HN ILE 63 -4.317 6.901 6.901
489 HA ILE 63 HA ILE 63 -3.802 5.018 5.018
490 HB ILE 63 HB ILE 63 -3.491 4.313 4.313
491 1HG1 ILE 63 HG12 ILE 63 -2.362 6.647 6.647
492 2HG1 ILE 63 HG13 ILE 63 -1.717 5.616 5.616
493 1HG2 ILE 63 HG21 ILE 63 -2.330 3.462 3.462
494 2HG2 ILE 63 HG22 ILE 63 -1.441 3.159 3.159
495 3HG2 ILE 63 HG23 ILE 63 -3.073 2.484 2.484
496 1HD1 ILE 63 HD13 ILE 63 -0.985 5.184 5.184
497 2HD1 ILE 63 HD11 ILE 63 -0.092 6.324 6.324
498 3HD1 ILE 63 HD12 ILE 63 -0.135 4.593 4.593
499 H TYR 64 HN TYR 64 -4.831 2.780 2.780
500 HA TYR 64 HA TYR 64 -7.555 3.174 3.174
501 1HB TYR 64 HB2 TYR 64 -6.355 1.698 1.698
502 2HB TYR 64 HB3 TYR 64 -7.992 1.377 1.377
503 HD1 TYR 64 HD1 TYR 64 -5.945 4.474 4.474
504 HD2 TYR 64 HD2 TYR 64 -9.602 2.371 2.371
505 HE1 TYR 64 HE1 TYR 64 -6.795 6.411 6.411
506 HE2 TYR 64 HE2 TYR 64 -10.440 4.315 4.315
507 HH TYR 64 HH TYR 64 -8.690 7.327 7.327
508 H THR 65 HN THR 65 -8.529 1.417 1.417
509 HA THR 65 HA THR 65 -7.230 -1.102 -1.102
510 HB THR 65 HB THR 65 -5.693 0.310 0.310
511 HG1 THR 65 HG1 THR 65 -6.484 -1.981 -1.981
512 1HG2 THR 65 HG22 THR 65 -8.329 0.937 0.937
513 2HG2 THR 65 HG23 THR 65 -6.821 0.873 0.873
514 3HG2 THR 65 HG21 THR 65 -6.988 2.042 2.042
515 H ALA 66 HN ALA 66 -8.279 -1.823 -1.823
516 HA ALA 66 HA ALA 66 -11.128 -1.697 -1.697
517 1HB ALA 66 HB1 ALA 66 -9.339 -3.835 -3.835
518 2HB ALA 66 HB2 ALA 66 -10.494 -3.702 -3.702
519 3HB ALA 66 HB3 ALA 66 -11.089 -3.921 -3.921
520 HA PRO 67 HA PRO 67 -11.792 0.511 0.511
521 1HB PRO 67 HB2 PRO 67 -14.469 0.096 0.096
522 2HB PRO 67 HB3 PRO 67 -13.823 1.287 1.287
523 1HG PRO 67 HG2 PRO 67 -15.032 -1.344 -1.344
524 2HG PRO 67 HG3 PRO 67 -14.777 0.016 0.016
525 1HD PRO 67 HD2 PRO 67 -13.224 -2.392 -2.392
526 2HD PRO 67 HD3 PRO 67 -12.900 -0.983 -0.983
527 H SER 68 HN SER 68 -13.555 0.092 0.092
528 HA SER 68 HA SER 68 -13.754 -1.010 -1.010
529 1HB SER 68 HB2 SER 68 -13.748 -3.083 -3.083
530 2HB SER 68 HB3 SER 68 -12.776 -3.666 -3.666
531 HG SER 68 HG SER 68 -14.628 -2.961 -2.961
532 H SER 69 HN SER 69 -12.140 -3.244 -3.244
533 HA SER 69 HA SER 69 -9.861 -1.701 -1.701
534 1HB SER 69 HB2 SER 69 -9.363 -3.578 -3.578
535 2HB SER 69 HB3 SER 69 -11.034 -3.069 -3.069
536 HG SER 69 HG SER 69 -10.094 -5.328 -5.328
537 H ALA 70 HN ALA 70 -10.042 -2.461 -2.461
538 HA ALA 70 HA ALA 70 -8.557 -3.009 -3.009
539 1HB ALA 70 HB3 ALA 70 -6.955 -2.943 -2.943
540 2HB ALA 70 HB1 ALA 70 -6.556 -4.474 -4.474
541 3HB ALA 70 HB2 ALA 70 -6.403 -2.931 -2.931
542 H VAL 71 HN VAL 71 -9.620 -4.512 -4.512
543 HA VAL 71 HA VAL 71 -9.669 -7.247 -7.247
544 HB VAL 71 HB VAL 71 -11.786 -7.464 -7.464
545 1HG1 VAL 71 HG12 VAL 71 -11.576 -4.439 -4.439
546 2HG1 VAL 71 HG13 VAL 71 -13.098 -5.354 -5.354
547 3HG1 VAL 71 HG11 VAL 71 -11.919 -5.405 -5.405
548 1HG2 VAL 71 HG23 VAL 71 -11.025 -5.870 -5.870
549 2HG2 VAL 71 HG21 VAL 71 -11.399 -7.605 -7.605
550 3HG2 VAL 71 HG22 VAL 71 -12.692 -6.400 -6.400
551 H CYS 72 HN CYS 72 -9.062 -5.118 -5.118
552 HA CYS 72 HA CYS 72 -7.642 -7.383 -7.383
553 1HB CYS 72 HB2 CYS 72 -8.988 -5.189 -5.189
554 2HB CYS 72 HB3 CYS 72 -8.258 -6.661 -6.661
555 H GLY 73 HN GLY 73 -7.085 -4.879 -4.879
556 1HA GLY 73 HA1 GLY 73 -4.626 -4.127 -4.127
557 2HA GLY 73 HA2 GLY 73 -5.761 -2.833 -2.833
558 H VAL 74 HN VAL 74 -4.213 -1.841 -1.841
559 HA VAL 74 HA VAL 74 -3.900 -3.336 -3.336
560 HB VAL 74 HB VAL 74 -2.232 -1.107 -1.107
561 1HG1 VAL 74 HG13 VAL 74 -1.930 -2.667 -2.667
562 2HG1 VAL 74 HG11 VAL 74 -0.673 -1.620 -1.620
563 3HG1 VAL 74 HG12 VAL 74 -2.225 -0.920 -0.920
564 1HG2 VAL 74 HG21 VAL 74 -2.181 -3.601 -3.601
565 2HG2 VAL 74 HG22 VAL 74 -0.686 -2.659 -2.659
566 3HG2 VAL 74 HG23 VAL 74 -1.173 -3.855 -3.855
567 H SER 75 HN SER 75 -5.800 -1.049 -1.049
568 HA SER 75 HA SER 75 -6.825 0.807 0.807
569 1HB SER 75 HB2 SER 75 -8.507 0.327 0.327
570 2HB SER 75 HB3 SER 75 -8.050 -1.248 -1.248
571 HG SER 75 HG SER 75 -7.282 -0.033 -0.033
572 H LEU 76 HN LEU 76 -4.921 2.209 2.209
573 HA LEU 76 HA LEU 76 -4.143 2.575 2.575
574 1HB LEU 76 HB2 LEU 76 -2.635 3.970 3.970
575 2HB LEU 76 HB3 LEU 76 -2.077 3.113 3.113
576 HG LEU 76 HG LEU 76 -2.943 1.024 1.024
577 1HD1 LEU 76 HD13 LEU 76 -3.046 3.131 3.131
578 2HD1 LEU 76 HD11 LEU 76 -1.490 2.341 2.341
579 3HD1 LEU 76 HD12 LEU 76 -2.998 1.397 1.397
580 1HD2 LEU 76 HD23 LEU 76 -0.469 2.116 2.116
581 2HD2 LEU 76 HD21 LEU 76 -0.861 0.431 0.431
582 3HD2 LEU 76 HD22 LEU 76 -0.249 1.540 1.540
583 H ASP 77 HN ASP 77 -4.686 4.416 4.416
584 HA ASP 77 HA ASP 77 -6.034 6.433 6.433
585 1HB ASP 77 HB2 ASP 77 -6.928 7.002 7.002
586 2HB ASP 77 HB3 ASP 77 -7.727 5.836 5.836
587 H VAL 78 HN VAL 78 -3.277 5.633 5.633
588 HA VAL 78 HA VAL 78 -1.519 6.832 6.832
589 HB VAL 78 HB VAL 78 -3.099 8.879 8.879
590 1HG1 VAL 78 HG11 VAL 78 -1.035 9.539 9.539
591 2HG1 VAL 78 HG12 VAL 78 -1.190 10.546 10.546
592 3HG1 VAL 78 HG13 VAL 78 -2.579 10.348 10.348
593 1HG2 VAL 78 HG22 VAL 78 -0.620 7.353 7.353
594 2HG2 VAL 78 HG23 VAL 78 -1.653 8.114 8.114
595 3HG2 VAL 78 HG21 VAL 78 -0.420 9.079 9.079
596 H GLY 79 HN GLY 79 -4.756 7.326 7.326
597 1HA GLY 79 HA1 GLY 79 -4.176 9.035 9.035
598 2HA GLY 79 HA2 GLY 79 -5.642 8.122 8.122
599 H GLY 80 HN GLY 80 -3.390 5.776 5.776
600 1HA GLY 80 HA1 GLY 80 -3.101 5.209 5.209
601 2HA GLY 80 HA2 GLY 80 -3.764 4.018 4.018
602 H LYS 81 HN LYS 81 -2.001 4.878 4.878
603 HA LYS 81 HA LYS 81 0.391 3.488 3.488
604 1HB LYS 81 HB2 LYS 81 0.562 3.692 3.692
605 2HB LYS 81 HB3 LYS 81 -0.001 2.302 2.302
606 1HG LYS 81 HG2 LYS 81 -1.850 4.586 4.586
607 2HG LYS 81 HG3 LYS 81 -1.584 3.177 3.177
608 1HD LYS 81 HD2 LYS 81 -2.889 1.833 1.833
609 2HD LYS 81 HD3 LYS 81 -2.214 2.467 2.467
610 1HE LYS 81 HE2 LYS 81 -3.934 3.942 3.942
611 2HE LYS 81 HE3 LYS 81 -3.857 4.481 4.481
612 1HZ LYS 81 HZ1 LYS 81 -4.909 1.831 1.831
613 2HZ LYS 81 HZ2 LYS 81 -5.848 3.080 3.080
614 3HZ LYS 81 HZ3 LYS 81 -5.368 2.962 2.962
615 H LYS 82 HN LYS 82 0.466 5.495 5.495
616 HA LYS 82 HA LYS 82 1.163 7.935 7.935
617 1HB LYS 82 HB2 LYS 82 3.722 7.771 7.771
618 2HB LYS 82 HB3 LYS 82 2.851 7.263 7.263
619 1HG LYS 82 HG2 LYS 82 2.982 4.941 4.941
620 2HG LYS 82 HG3 LYS 82 4.561 5.684 5.684
621 1HD LYS 82 HD2 LYS 82 5.137 4.930 4.930
622 2HD LYS 82 HD3 LYS 82 3.832 5.856 5.856
623 1HE LYS 82 HE2 LYS 82 2.378 4.035 4.035
624 2HE LYS 82 HE3 LYS 82 3.059 3.292 3.292
625 1HZ LYS 82 HZ3 LYS 82 5.004 3.393 3.393
626 2HZ LYS 82 HZ1 LYS 82 3.653 2.714 2.714
627 3HZ LYS 82 HZ2 LYS 82 4.347 2.080 2.080
628 H GLU 83 HN GLU 83 3.217 5.634 5.634
629 HA GLU 83 HA GLU 83 2.067 6.651 6.651
630 1HB GLU 83 HB2 GLU 83 5.056 7.055 7.055
631 2HB GLU 83 HB3 GLU 83 4.085 7.596 7.596
632 1HG GLU 83 HG2 GLU 83 4.279 9.560 9.560
633 2HG GLU 83 HG3 GLU 83 2.716 8.947 8.947
634 H TYR 84 HN TYR 84 3.048 5.492 5.492
635 HA TYR 84 HA TYR 84 4.443 3.036 3.036
636 1HB TYR 84 HB2 TYR 84 2.660 1.811 1.811
637 2HB TYR 84 HB3 TYR 84 2.016 2.505 2.505
638 HD1 TYR 84 HD2 TYR 84 2.609 3.612 3.612
639 HD2 TYR 84 HD1 TYR 84 -0.039 3.550 3.550
640 HE1 TYR 84 HE2 TYR 84 0.857 4.868 4.868
641 HE2 TYR 84 HE1 TYR 84 -1.782 4.806 4.806
642 HH TYR 84 HH TYR 84 -2.106 4.909 4.909
643 H LEU 85 HN LEU 85 5.477 1.991 1.991
644 HA LEU 85 HA LEU 85 6.177 3.916 3.916
645 1HB LEU 85 HB2 LEU 85 7.800 2.161 2.161
646 2HB LEU 85 HB3 LEU 85 7.975 2.750 2.750
647 HG LEU 85 HG LEU 85 8.168 0.195 0.195
648 1HD1 LEU 85 HD13 LEU 85 7.681 1.681 1.681
649 2HD1 LEU 85 HD11 LEU 85 6.476 0.372 0.372
650 3HD1 LEU 85 HD12 LEU 85 8.207 -0.019 -0.019
651 1HD2 LEU 85 HD22 LEU 85 5.166 0.524 0.524
652 2HD2 LEU 85 HD23 LEU 85 6.070 -0.063 -0.063
653 3HD2 LEU 85 HD21 LEU 85 6.043 -1.023 -1.023
654 H ILE 86 HN ILE 86 3.536 2.027 2.027
655 HA ILE 86 HA ILE 86 2.520 0.488 0.488
656 HB ILE 86 HB ILE 86 1.986 3.313 3.313
657 1HG1 ILE 86 HG12 ILE 86 -0.274 2.612 2.612
658 2HG1 ILE 86 HG13 ILE 86 0.057 1.016 1.016
659 1HG2 ILE 86 HG21 ILE 86 1.635 1.757 1.757
660 2HG2 ILE 86 HG22 ILE 86 0.467 3.023 3.023
661 3HG2 ILE 86 HG23 ILE 86 2.187 3.430 3.430
662 1HD1 ILE 86 HD11 ILE 86 1.840 1.575 1.575
663 2HD1 ILE 86 HD12 ILE 86 0.139 1.802 1.802
664 3HD1 ILE 86 HD13 ILE 86 0.674 0.246 0.246
665 H ALA 87 HN ALA 87 3.652 -0.928 -0.928
666 HA ALA 87 HA ALA 87 4.584 0.147 0.147
667 1HB ALA 87 HB1 ALA 87 6.113 -1.199 -1.199
668 2HB ALA 87 HB2 ALA 87 6.308 -1.945 -1.945
669 3HB ALA 87 HB3 ALA 87 6.685 -0.220 -0.220
670 H GLY 88 HN GLY 88 3.014 -0.649 -0.649
671 1HA GLY 88 HA1 GLY 88 2.832 -3.531 -3.531
672 2HA GLY 88 HA2 GLY 88 1.357 -2.744 -2.744
673 H LYS 89 HN LYS 89 1.386 -4.102 -4.102
674 HA LYS 89 HA LYS 89 2.139 -2.938 -2.938
675 1HB LYS 89 HB2 LYS 89 0.142 -4.790 -4.790
676 2HB LYS 89 HB3 LYS 89 -0.626 -3.673 -3.673
677 1HG LYS 89 HG2 LYS 89 0.723 -4.291 -4.291
678 2HG LYS 89 HG3 LYS 89 2.107 -4.643 -4.643
679 1HD LYS 89 HD2 LYS 89 0.941 -6.716 -6.716
680 2HD LYS 89 HD3 LYS 89 -0.401 -6.372 -6.372
681 1HE LYS 89 HE2 LYS 89 2.153 -6.292 -6.292
682 2HE LYS 89 HE3 LYS 89 1.940 -7.828 -7.828
683 1HZ LYS 89 HZ3 LYS 89 -0.312 -6.733 -6.733
684 2HZ LYS 89 HZ1 LYS 89 0.912 -7.402 -7.402
685 3HZ LYS 89 HZ2 LYS 89 0.100 -8.293 -8.293
686 H ALA 90 HN ALA 90 2.367 -0.721 -0.721
687 HA ALA 90 HA ALA 90 0.437 1.087 1.087
688 1HB ALA 90 HB1 ALA 90 3.037 1.116 1.116
689 2HB ALA 90 HB2 ALA 90 1.996 2.197 2.197
690 3HB ALA 90 HB3 ALA 90 2.173 2.454 2.454
691 H GLU 91 HN GLU 91 -0.500 2.806 2.806
692 HA GLU 91 HA GLU 91 -1.685 1.245 1.245
693 1HB GLU 91 HB2 GLU 91 -3.173 1.834 1.834
694 2HB GLU 91 HB3 GLU 91 -3.187 3.459 3.459
695 1HG GLU 91 HG2 GLU 91 -5.143 2.100 2.100
696 2HG GLU 91 HG3 GLU 91 -4.158 2.672 2.672
697 H GLY 92 HN GLY 92 0.504 3.568 3.568
698 1HA GLY 92 HA1 GLY 92 1.201 4.630 4.630
699 2HA GLY 92 HA2 GLY 92 -0.382 5.380 5.380
700 H ASP 93 HN ASP 93 -0.382 7.448 7.448
701 HA ASP 93 HA ASP 93 1.408 8.009 8.009
702 1HB ASP 93 HB2 ASP 93 0.946 9.698 9.698
703 2HB ASP 93 HB3 ASP 93 1.710 10.329 10.329
704 H GLY 94 HN GLY 94 0.384 9.248 9.248
705 1HA GLY 94 HA1 GLY 94 -1.127 10.742 10.742
706 2HA GLY 94 HA2 GLY 94 -2.002 10.786 10.786
707 H LYS 95 HN LYS 95 -1.449 7.541 7.541
708 HA LYS 95 HA LYS 95 -3.192 6.861 6.861
709 1HB LYS 95 HB2 LYS 95 -5.243 6.411 6.411
710 2HB LYS 95 HB3 LYS 95 -4.810 8.008 8.008
711 1HG LYS 95 HG2 LYS 95 -4.228 5.438 5.438
712 2HG LYS 95 HG3 LYS 95 -5.649 6.430 6.430
713 1HD LYS 95 HD2 LYS 95 -2.752 7.345 7.345
714 2HD LYS 95 HD3 LYS 95 -3.861 6.979 6.979
715 1HE LYS 95 HE2 LYS 95 -4.089 9.251 9.251
716 2HE LYS 95 HE3 LYS 95 -3.829 9.395 9.395
717 1HZ LYS 95 HZ3 LYS 95 -6.057 8.040 8.040
718 2HZ LYS 95 HZ1 LYS 95 -6.259 8.775 8.775
719 3HZ LYS 95 HZ2 LYS 95 -6.044 9.670 9.670
720 H MET 96 HN MET 96 -3.177 4.610 4.610
721 HA MET 96 HA MET 96 -2.092 2.992 2.992
722 1HB MET 96 HB2 MET 96 -0.508 2.042 2.042
723 2HB MET 96 HB3 MET 96 0.017 3.358 3.358
724 1HG MET 96 HG2 MET 96 -0.014 4.857 4.857
725 2HG MET 96 HG3 MET 96 -1.607 4.348 4.348
726 1HE MET 96 HE1 MET 96 1.902 4.474 4.474
727 2HE MET 96 HE2 MET 96 1.476 4.804 4.804
728 3HE MET 96 HE3 MET 96 2.421 3.352 3.352
729 H HIS 97 HN HIS 97 -1.593 0.635 0.635
730 HA HIS 97 HA HIS 97 -4.135 0.201 0.201
731 1HB HIS 97 HB2 HIS 97 -3.197 -0.975 -0.975
732 2HB HIS 97 HB3 HIS 97 -3.403 -2.219 -2.219
733 HD1 HIS 97 HD1 HIS 97 -5.447 -3.097 -3.097
734 HD2 HIS 97 HD2 HIS 97 -5.959 0.697 0.697
735 HE1 HIS 97 HE1 HIS 97 -7.939 -2.568 -2.568
736 H ILE 98 HN ILE 98 -3.973 -0.836 -0.836
737 HA ILE 98 HA ILE 98 -1.542 -2.339 -2.339
738 HB ILE 98 HB ILE 98 -1.071 -1.168 -1.168
739 1HG1 ILE 98 HG12 ILE 98 -3.506 0.494 0.494
740 2HG1 ILE 98 HG13 ILE 98 -3.232 -0.488 -0.488
741 1HG2 ILE 98 HG21 ILE 98 -0.306 -0.342 -0.342
742 2HG2 ILE 98 HG22 ILE 98 -1.321 1.067 1.067
743 3HG2 ILE 98 HG23 ILE 98 0.036 0.627 0.627
744 1HD1 ILE 98 HD11 ILE 98 -1.182 1.626 1.626
745 2HD1 ILE 98 HD12 ILE 98 -2.797 2.192 2.192
746 3HD1 ILE 98 HD13 ILE 98 -1.882 1.089 1.089
747 H THR 99 HN THR 99 -1.835 -3.996 -3.996
748 HA THR 99 HA THR 99 -4.458 -4.161 -4.161
749 HB THR 99 HB THR 99 -4.322 -6.688 -6.688
750 HG1 THR 99 HG1 THR 99 -3.230 -6.621 -6.621
751 1HG2 THR 99 HG23 THR 99 -5.813 -4.432 -4.432
752 2HG2 THR 99 HG21 THR 99 -5.044 -4.937 -4.937
753 3HG2 THR 99 HG22 THR 99 -6.063 -6.082 -6.082
754 H LEU 100 HN LEU 100 -4.545 -5.953 -5.953
755 HA LEU 100 HA LEU 100 -2.365 -5.724 -5.724
756 1HB LEU 100 HB2 LEU 100 -3.594 -6.950 -6.950
757 2HB LEU 100 HB3 LEU 100 -4.850 -6.343 -6.343
758 HG LEU 100 HG LEU 100 -3.649 -9.032 -9.032
759 1HD1 LEU 100 HD13 LEU 100 -4.565 -8.504 -8.504
760 2HD1 LEU 100 HD11 LEU 100 -6.021 -9.131 -9.131
761 3HD1 LEU 100 HD12 LEU 100 -4.530 -10.103 -10.103
762 1HD2 LEU 100 HD22 LEU 100 -5.645 -7.504 -7.504
763 2HD2 LEU 100 HD23 LEU 100 -5.349 -9.241 -9.241
764 3HD2 LEU 100 HD21 LEU 100 -6.538 -8.709 -8.709
765 H CYS 101 HN CYS 101 -3.292 -8.269 -8.269
766 HA CYS 101 HA CYS 101 -1.278 -10.057 -10.057
767 1HB CYS 101 HB2 CYS 101 -3.411 -10.204 -10.204
768 2HB CYS 101 HB3 CYS 101 -2.186 -9.931 -9.931
769 H ASP 102 HN ASP 102 -1.411 -7.128 -7.128
770 HA ASP 102 HA ASP 102 1.036 -7.629 -7.629
771 1HB ASP 102 HB2 ASP 102 -0.985 -5.982 -5.982
772 2HB ASP 102 HB3 ASP 102 -0.093 -4.855 -4.855
773 H PHE 103 HN PHE 103 2.911 -5.890 -5.890
774 HA PHE 103 HA PHE 103 3.763 -5.988 -5.988
775 1HB PHE 103 HB2 PHE 103 5.407 -6.083 -6.083
776 2HB PHE 103 HB3 PHE 103 4.661 -4.759 -4.759
777 HD1 PHE 103 HD2 PHE 103 5.153 -4.392 -4.392
778 HD2 PHE 103 HD1 PHE 103 6.875 -3.715 -3.715
779 HE1 PHE 103 HE2 PHE 103 6.795 -2.794 -2.794
780 HE2 PHE 103 HE1 PHE 103 8.517 -2.117 -2.117
781 HZ PHE 103 HZ PHE 103 8.458 -1.675 -1.675
782 H ILE 104 HN ILE 104 3.252 -4.618 -4.618
783 HA ILE 104 HA ILE 104 3.244 -1.818 -1.818
784 HB ILE 104 HB ILE 104 0.796 -1.632 -1.632
785 1HG1 ILE 104 HG12 ILE 104 0.711 -4.330 -4.330
786 2HG1 ILE 104 HG13 ILE 104 0.405 -4.029 -4.029
787 1HG2 ILE 104 HG22 ILE 104 2.028 -1.199 -1.199
788 2HG2 ILE 104 HG23 ILE 104 0.760 -2.353 -2.353
789 3HG2 ILE 104 HG21 ILE 104 0.319 -0.834 -0.834
790 1HD1 ILE 104 HD13 ILE 104 -1.453 -2.403 -2.403
791 2HD1 ILE 104 HD11 ILE 104 -1.244 -3.096 -3.096
792 3HD1 ILE 104 HD12 ILE 104 -1.755 -4.136 -4.136
793 H VAL 105 HN VAL 105 3.718 -0.815 -0.815
794 HA VAL 105 HA VAL 105 3.009 -2.085 -2.085
795 HB VAL 105 HB VAL 105 5.719 -1.724 -1.724
796 1HG1 VAL 105 HG13 VAL 105 3.796 -3.944 -3.944
797 2HG1 VAL 105 HG11 VAL 105 5.480 -4.440 -4.440
798 3HG1 VAL 105 HG12 VAL 105 5.056 -3.578 -3.578
799 1HG2 VAL 105 HG22 VAL 105 5.273 -3.016 -3.016
800 2HG2 VAL 105 HG23 VAL 105 6.240 -1.568 -1.568
801 3HG2 VAL 105 HG21 VAL 105 6.774 -3.165 -3.165
802 HA PRO 106 HA PRO 106 3.199 2.054 2.054
803 1HB PRO 106 HB2 PRO 106 3.558 1.871 1.871
804 2HB PRO 106 HB3 PRO 106 2.005 1.638 1.638
805 1HG PRO 106 HG2 PRO 106 3.828 -0.389 -0.389
806 2HG PRO 106 HG3 PRO 106 2.125 -0.538 -0.538
807 1HD PRO 106 HD2 PRO 106 4.326 -1.576 -1.576
808 2HD PRO 106 HD3 PRO 106 2.633 -1.624 -1.624
809 H TRP 107 HN TRP 107 5.844 0.331 0.331
810 HA TRP 107 HA TRP 107 7.963 0.961 0.961
811 1HB TRP 107 HB2 TRP 107 6.889 3.248 3.248
812 2HB TRP 107 HB3 TRP 107 7.378 3.692 3.692
813 HD1 TRP 107 HD1 TRP 107 9.430 1.769 1.769
814 HE1 TRP 107 HE1 TRP 107 11.757 2.950 2.950
815 HE3 TRP 107 HE3 TRP 107 8.622 5.624 5.624
816 HZ2 TRP 107 HZ2 TRP 107 12.970 5.310 5.310
817 HZ3 TRP 107 HZ3 TRP 107 10.428 7.323 7.323
818 HH2 TRP 107 HH2 TRP 107 12.543 7.210 7.210
819 H ASP 108 HN ASP 108 6.594 2.550 2.550
820 HA ASP 108 HA ASP 108 8.875 1.989 1.989
821 1HB ASP 108 HB2 ASP 108 7.037 3.743 3.743
822 2HB ASP 108 HB3 ASP 108 6.041 2.435 2.435
823 H THR 109 HN THR 109 8.386 -0.440 -0.440
824 HA THR 109 HA THR 109 7.835 -2.138 -2.138
825 HB THR 109 HB THR 109 6.006 -3.381 -3.381
826 HG1 THR 109 HG1 THR 109 6.348 -0.792 -0.792
827 1HG2 THR 109 HG23 THR 109 5.495 -1.734 -1.734
828 2HG2 THR 109 HG21 THR 109 5.267 -0.491 -0.491
829 3HG2 THR 109 HG22 THR 109 4.206 -1.920 -1.920
830 H LEU 110 HN LEU 110 8.160 -2.002 -2.002
831 HA LEU 110 HA LEU 110 8.996 -3.940 -3.940
832 1HB LEU 110 HB2 LEU 110 11.236 -2.085 -2.085
833 2HB LEU 110 HB3 LEU 110 11.252 -3.169 -3.169
834 HG LEU 110 HG LEU 110 9.266 -0.907 -0.907
835 1HD1 LEU 110 HD13 LEU 110 11.811 -0.337 -0.337
836 2HD1 LEU 110 HD11 LEU 110 11.569 -0.794 -0.794
837 3HD1 LEU 110 HD12 LEU 110 10.608 0.524 0.524
838 1HD2 LEU 110 HD22 LEU 110 9.260 -3.131 -3.131
839 2HD2 LEU 110 HD23 LEU 110 8.246 -1.672 -1.672
840 3HD2 LEU 110 HD21 LEU 110 9.783 -1.754 -1.754
841 H SER 111 HN SER 111 12.060 -3.568 -3.568
842 HA SER 111 HA SER 111 12.235 -4.954 -4.954
843 1HB SER 111 HB2 SER 111 11.220 -6.861 -6.861
844 2HB SER 111 HB3 SER 111 12.429 -7.471 -7.471
845 HG SER 111 HG SER 111 10.006 -6.132 -6.132
846 H THR 112 HN THR 112 13.143 -5.283 -5.283
847 HA THR 112 HA THR 112 15.620 -4.365 -4.365
848 HB THR 112 HB THR 112 15.514 -6.962 -6.962
849 HG1 THR 112 HG1 THR 112 16.549 -5.397 -5.397
850 1HG2 THR 112 HG23 THR 112 17.584 -6.317 -6.317
851 2HG2 THR 112 HG21 THR 112 18.012 -7.263 -7.263
852 3HG2 THR 112 HG22 THR 112 16.780 -7.873 -7.873
853 H THR 113 HN THR 113 14.415 -7.695 -7.695
854 HA THR 113 HA THR 113 15.557 -7.833 -7.833
855 HB THR 113 HB THR 113 12.999 -8.984 -8.984
856 HG1 THR 113 HG1 THR 113 15.096 -9.645 -9.645
857 1HG2 THR 113 HG23 THR 113 13.276 -8.923 -8.923
858 2HG2 THR 113 HG21 THR 113 14.392 -10.264 -10.264
859 3HG2 THR 113 HG22 THR 113 12.687 -10.375 -10.375
860 H GLN 114 HN GLN 114 12.957 -5.770 -5.770
861 HA GLN 114 HA GLN 114 12.040 -5.385 -5.385
862 1HB GLN 114 HB2 GLN 114 11.150 -4.481 -4.481
863 2HB GLN 114 HB3 GLN 114 10.643 -3.537 -3.537
864 1HG GLN 114 HG2 GLN 114 8.914 -5.058 -5.058
865 2HG GLN 114 HG3 GLN 114 10.061 -6.007 -6.007
866 1HE2 GLN 114 HE22 GLN 114 11.046 -8.085 -8.085
867 2HE2 GLN 114 HE21 GLN 114 11.744 -7.141 -7.141
868 H LYS 115 HN LYS 115 13.903 -3.690 -3.690
869 HA LYS 115 HA LYS 115 14.088 -1.238 -1.238
870 1HB LYS 115 HB2 LYS 115 15.205 -2.487 -2.487
871 2HB LYS 115 HB3 LYS 115 16.293 -1.350 -1.350
872 1HG LYS 115 HG2 LYS 115 14.892 0.470 0.470
873 2HG LYS 115 HG3 LYS 115 13.430 -0.487 -0.487
874 1HD LYS 115 HD2 LYS 115 15.342 -0.351 -0.351
875 2HD LYS 115 HD3 LYS 115 13.681 0.204 0.204
876 1HE LYS 115 HE2 LYS 115 13.098 -2.297 -2.297
877 2HE LYS 115 HE3 LYS 115 14.707 -2.655 -2.655
878 1HZ LYS 115 HZ3 LYS 115 13.950 -1.263 -1.263
879 2HZ LYS 115 HZ1 LYS 115 12.437 -1.567 -1.567
880 3HZ LYS 115 HZ2 LYS 115 13.425 -2.804 -2.804
881 H LYS 116 HN LYS 116 16.000 -4.269 -4.269
882 HA LYS 116 HA LYS 116 18.179 -3.249 -3.249
883 1HB LYS 116 HB2 LYS 116 18.792 -5.542 -5.542
884 2HB LYS 116 HB3 LYS 116 18.145 -5.376 -5.376
885 1HG LYS 116 HG2 LYS 116 16.464 -6.842 -6.842
886 2HG LYS 116 HG3 LYS 116 15.985 -5.967 -5.967
887 1HD LYS 116 HD2 LYS 116 18.519 -7.503 -7.503
888 2HD LYS 116 HD3 LYS 116 17.108 -8.498 -8.498
889 1HE LYS 116 HE2 LYS 116 16.403 -8.217 -8.217
890 2HE LYS 116 HE3 LYS 116 16.379 -6.476 -6.476
891 1HZ LYS 116 HZ2 LYS 116 18.770 -6.496 -6.496
892 2HZ LYS 116 HZ3 LYS 116 18.711 -8.100 -8.100
893 3HZ LYS 116 HZ1 LYS 116 17.897 -7.063 -7.063
894 H SER 117 HN SER 117 14.882 -3.921 -3.921
895 HA SER 117 HA SER 117 15.585 -4.189 -4.189
896 1HB SER 117 HB2 SER 117 13.547 -5.244 -5.244
897 2HB SER 117 HB3 SER 117 12.730 -3.846 -3.846
898 HG SER 117 HG SER 117 13.172 -6.182 -6.182
899 H LEU 118 HN LEU 118 14.750 -1.738 -1.738
900 HA LEU 118 HA LEU 118 13.627 0.088 0.088
901 1HB LEU 118 HB2 LEU 118 14.423 0.250 0.250
902 2HB LEU 118 HB3 LEU 118 13.945 1.675 1.675
903 HG LEU 118 HG LEU 118 12.038 -0.538 -0.538
904 1HD1 LEU 118 HD12 LEU 118 12.916 0.337 0.337
905 2HD1 LEU 118 HD13 LEU 118 11.172 0.121 0.121
906 3HD1 LEU 118 HD11 LEU 118 12.294 -1.235 -1.235
907 1HD2 LEU 118 HD21 LEU 118 12.089 2.333 2.333
908 2HD2 LEU 118 HD22 LEU 118 10.807 1.223 1.223
909 3HD2 LEU 118 HD23 LEU 118 10.863 1.759 1.759
910 H ASN 119 HN ASN 119 16.673 -1.167 -1.167
911 HA ASN 119 HA ASN 119 18.184 1.206 1.206
912 1HB ASN 119 HB2 ASN 119 18.754 -1.719 -1.719
913 2HB ASN 119 HB3 ASN 119 19.973 -0.495 -0.495
914 1HD2 ASN 119 HD22 ASN 119 19.948 -2.125 -2.125
915 2HD2 ASN 119 HD21 ASN 119 19.573 -2.790 -2.790
916 H HIS 120 HN HIS 120 17.495 -1.399 -1.399
917 HA HIS 120 HA HIS 120 18.501 0.076 0.076
918 1HB HIS 120 HB2 HIS 120 16.931 -2.424 -2.424
919 2HB HIS 120 HB3 HIS 120 16.841 -1.679 -1.679
920 HD1 HIS 120 HD1 HIS 120 18.188 -3.638 -3.638
921 HD2 HIS 120 HD2 HIS 120 20.275 -1.528 -1.528
922 HE1 HIS 120 HE1 HIS 120 20.629 -4.357 -4.357
923 H ARG 121 HN ARG 121 15.180 -1.062 -1.062
924 HA ARG 121 HA ARG 121 14.071 1.525 1.525
925 1HB ARG 121 HB2 ARG 121 13.386 0.783 0.783
926 2HB ARG 121 HB3 ARG 121 14.104 2.275 2.275
927 1HG ARG 121 HG2 ARG 121 15.871 -0.164 -0.164
928 2HG ARG 121 HG3 ARG 121 15.418 0.647 0.647
929 1HD ARG 121 HD2 ARG 121 16.194 2.660 2.660
930 2HD ARG 121 HD3 ARG 121 17.436 1.426 1.426
931 HE ARG 121 HE ARG 121 17.941 1.998 1.998
932 1HH1 ARG 121 HH22 ARG 121 15.001 3.627 3.627
933 2HH1 ARG 121 HH21 ARG 121 14.946 4.681 4.681
934 1HH2 ARG 121 HH12 ARG 121 17.869 3.390 3.390
935 2HH2 ARG 121 HH11 ARG 121 16.588 4.546 4.546
936 H TYR 122 HN TYR 122 13.285 -1.163 -1.163
937 HA TYR 122 HA TYR 122 11.033 -1.874 -1.874
938 1HB TYR 122 HB2 TYR 122 9.657 -1.958 -1.958
939 2HB TYR 122 HB3 TYR 122 10.522 -0.436 -0.436
940 HD1 TYR 122 HD1 TYR 122 12.502 -0.201 -0.201
941 HD2 TYR 122 HD2 TYR 122 10.016 -3.682 -3.682
942 HE1 TYR 122 HE1 TYR 122 13.427 -0.850 -0.850
943 HE2 TYR 122 HE2 TYR 122 10.948 -4.319 -4.319
944 HH TYR 122 HH TYR 122 12.895 -2.131 -2.131
945 H GLN 123 HN GLN 123 13.945 -2.857 -2.857
946 HA GLN 123 HA GLN 123 13.243 -5.580 -5.580
947 1HB GLN 123 HB2 GLN 123 12.886 -4.781 -4.781
948 2HB GLN 123 HB3 GLN 123 14.597 -5.150 -5.150
949 1HG GLN 123 HG2 GLN 123 13.298 -7.276 -7.276
950 2HG GLN 123 HG3 GLN 123 12.371 -6.986 -6.986
951 1HE2 GLN 123 HE22 GLN 123 14.560 -8.625 -8.625
952 2HE2 GLN 123 HE21 GLN 123 12.982 -8.007 -8.007
953 H MET 124 HN MET 124 14.760 -5.000 -5.000
954 HA MET 124 HA MET 124 17.367 -4.186 -4.186
955 1HB MET 124 HB2 MET 124 15.754 -4.600 -4.600
956 2HB MET 124 HB3 MET 124 17.009 -5.809 -5.809
957 1HG MET 124 HG2 MET 124 18.079 -3.180 -3.180
958 2HG MET 124 HG3 MET 124 17.232 -3.104 -3.104
959 1HE MET 124 HE3 MET 124 19.777 -4.511 -4.511
960 2HE MET 124 HE1 MET 124 20.959 -3.664 -3.664
961 3HE MET 124 HE2 MET 124 20.919 -5.443 -5.443
962 H GLY 125 HN GLY 125 17.218 -6.035 -6.035
963 1HA GLY 125 HA1 GLY 125 17.909 -8.053 -8.053
964 2HA GLY 125 HA2 GLY 125 19.317 -7.692 -7.692
965 H CYS 126 HN CYS 126 16.117 -8.157 -8.157
966 HA CYS 126 HA CYS 126 17.113 -10.151 -10.151
967 1HB CYS 126 HB2 CYS 126 15.136 -10.000 -10.000
968 2HB CYS 126 HB3 CYS 126 15.108 -8.470 -8.470
969 H GLU 127 HN GLU 127 15.092 -12.139 -12.139
970 HA GLU 127 HA GLU 127 14.423 -13.177 -13.177
971 1HB GLU 127 HB2 GLU 127 16.888 -13.442 -13.442
972 2HB GLU 127 HB3 GLU 127 16.961 -14.422 -14.422
973 1HG GLU 127 HG2 GLU 127 14.985 -15.752 -15.752
974 2HG GLU 127 HG3 GLU 127 15.899 -15.118 -15.118
Start of MODEL 40
1 H CYS 1 HN CYS 1 -8.931 -13.398 -13.398
2 HA CYS 1 HA CYS 1 -8.196 -10.873 -10.873
3 1HB CYS 1 HB2 CYS 1 -10.586 -10.968 -10.968
4 2HB CYS 1 HB3 CYS 1 -10.493 -11.458 -11.458
5 H SER 2 HN SER 2 -9.235 -11.639 -11.639
6 HA SER 2 HA SER 2 -7.133 -10.192 -10.192
7 1HB SER 2 HB2 SER 2 -7.870 -11.428 -11.428
8 2HB SER 2 HB3 SER 2 -9.052 -10.410 -10.410
9 HG SER 2 HG SER 2 -10.217 -12.148 -12.148
10 H CYS 3 HN CYS 3 -5.422 -11.345 -11.345
11 HA CYS 3 HA CYS 3 -4.688 -13.967 -13.967
12 1HB CYS 3 HB2 CYS 3 -4.027 -14.056 -14.056
13 2HB CYS 3 HB3 CYS 3 -4.158 -12.320 -12.320
14 H SER 4 HN SER 4 -2.228 -14.263 -14.263
15 HA SER 4 HA SER 4 -1.722 -12.420 -12.420
16 1HB SER 4 HB2 SER 4 -0.090 -14.017 -14.017
17 2HB SER 4 HB3 SER 4 -1.474 -14.936 -14.936
18 HG SER 4 HG SER 4 0.902 -14.409 -14.409
19 HA PRO 5 HA PRO 5 1.091 -10.165 -10.165
20 1HB PRO 5 HB2 PRO 5 1.746 -8.239 -8.239
21 2HB PRO 5 HB3 PRO 5 0.327 -8.146 -8.146
22 1HG PRO 5 HG2 PRO 5 0.495 -8.796 -8.796
23 2HG PRO 5 HG3 PRO 5 -0.900 -8.286 -8.286
24 1HD PRO 5 HD2 PRO 5 -0.310 -10.949 -10.949
25 2HD PRO 5 HD3 PRO 5 -1.641 -10.457 -10.457
26 H VAL 6 HN VAL 6 2.325 -12.284 -12.284
27 HA VAL 6 HA VAL 6 4.462 -12.149 -12.149
28 HB VAL 6 HB VAL 6 3.276 -14.240 -14.240
29 1HG1 VAL 6 HG12 VAL 6 3.947 -13.337 -13.337
30 2HG1 VAL 6 HG13 VAL 6 4.780 -14.885 -14.885
31 3HG1 VAL 6 HG11 VAL 6 3.014 -14.776 -14.776
32 1HG2 VAL 6 HG21 VAL 6 6.123 -13.786 -13.786
33 2HG2 VAL 6 HG22 VAL 6 5.113 -15.110 -15.110
34 3HG2 VAL 6 HG23 VAL 6 5.814 -15.224 -15.224
35 H HIS 7 HN HIS 7 6.050 -13.518 -13.518
36 HA HIS 7 HA HIS 7 7.885 -12.803 -12.803
37 1HB HIS 7 HB2 HIS 7 7.116 -11.026 -11.026
38 2HB HIS 7 HB3 HIS 7 6.775 -12.741 -12.741
39 HD1 HIS 7 HD1 HIS 7 4.367 -13.364 -13.364
40 HD2 HIS 7 HD2 HIS 7 4.818 -9.523 -9.523
41 HE1 HIS 7 HE1 HIS 7 2.023 -12.362 -12.362
42 HA PRO 8 HA PRO 8 8.883 -9.177 -9.177
43 1HB PRO 8 HB2 PRO 8 11.428 -9.929 -9.929
44 2HB PRO 8 HB3 PRO 8 10.032 -10.313 -10.313
45 1HG PRO 8 HG2 PRO 8 11.584 -12.087 -12.087
46 2HG PRO 8 HG3 PRO 8 10.484 -12.521 -12.521
47 1HD PRO 8 HD2 PRO 8 9.950 -12.626 -12.626
48 2HD PRO 8 HD3 PRO 8 8.813 -12.948 -12.948
49 H GLN 9 HN GLN 9 10.714 -10.694 -10.694
50 HA GLN 9 HA GLN 9 11.637 -8.015 -8.015
51 1HB GLN 9 HB2 GLN 9 13.554 -9.379 -9.379
52 2HB GLN 9 HB3 GLN 9 12.896 -10.746 -10.746
53 1HG GLN 9 HG2 GLN 9 14.129 -10.015 -10.015
54 2HG GLN 9 HG3 GLN 9 12.909 -8.771 -8.771
55 1HE2 GLN 9 HE22 GLN 9 14.958 -6.537 -6.537
56 2HE2 GLN 9 HE21 GLN 9 13.457 -7.384 -7.384
57 H GLN 10 HN GLN 10 10.056 -11.022 -11.022
58 HA GLN 10 HA GLN 10 10.038 -10.460 -10.460
59 1HB GLN 10 HB2 GLN 10 9.285 -12.589 -12.589
60 2HB GLN 10 HB3 GLN 10 8.805 -12.371 -12.371
61 1HG GLN 10 HG2 GLN 10 6.755 -12.822 -12.822
62 2HG GLN 10 HG3 GLN 10 6.746 -11.077 -11.077
63 1HE2 GLN 10 HE22 GLN 10 5.684 -11.735 -11.735
64 2HE2 GLN 10 HE21 GLN 10 5.115 -11.922 -11.922
65 H ALA 11 HN ALA 11 8.559 -8.795 -8.795
66 HA ALA 11 HA ALA 11 6.198 -8.004 -8.004
67 1HB ALA 11 HB1 ALA 11 7.246 -7.876 -7.876
68 2HB ALA 11 HB2 ALA 11 6.552 -6.320 -6.320
69 3HB ALA 11 HB3 ALA 11 5.563 -7.799 -7.799
70 H PHE 12 HN PHE 12 9.472 -6.771 -6.771
71 HA PHE 12 HA PHE 12 8.860 -4.231 -4.231
72 1HB PHE 12 HB2 PHE 12 11.362 -5.560 -5.560
73 2HB PHE 12 HB3 PHE 12 11.359 -3.912 -3.912
74 HD1 PHE 12 HD1 PHE 12 9.011 -5.870 -5.870
75 HD2 PHE 12 HD2 PHE 12 11.434 -2.411 -2.411
76 HE1 PHE 12 HE1 PHE 12 8.240 -5.057 -5.057
77 HE2 PHE 12 HE2 PHE 12 10.662 -1.598 -1.598
78 HZ PHE 12 HZ PHE 12 9.074 -2.931 -2.931
79 H CYS 13 HN CYS 13 9.464 -7.280 -7.280
80 HA CYS 13 HA CYS 13 11.155 -6.268 -6.268
81 1HB CYS 13 HB2 CYS 13 10.826 -8.947 -8.947
82 2HB CYS 13 HB3 CYS 13 11.177 -8.897 -8.897
83 H ASN 14 HN ASN 14 7.952 -6.995 -6.995
84 HA ASN 14 HA ASN 14 7.179 -7.748 -7.748
85 1HB ASN 14 HB2 ASN 14 6.277 -8.536 -8.536
86 2HB ASN 14 HB3 ASN 14 5.013 -7.461 -7.461
87 1HD2 ASN 14 HD22 ASN 14 5.815 -11.049 -11.049
88 2HD2 ASN 14 HD21 ASN 14 6.955 -10.286 -10.286
89 H ALA 15 HN ALA 15 6.697 -5.307 -5.307
90 HA ALA 15 HA ALA 15 4.709 -3.782 -3.782
91 1HB ALA 15 HB3 ALA 15 7.083 -3.036 -3.036
92 2HB ALA 15 HB1 ALA 15 5.731 -1.936 -1.936
93 3HB ALA 15 HB2 ALA 15 5.435 -3.452 -3.452
94 H ASP 16 HN ASP 16 5.122 -1.402 -1.402
95 HA ASP 16 HA ASP 16 7.445 -1.289 -1.289
96 1HB ASP 16 HB2 ASP 16 4.615 -1.601 -1.601
97 2HB ASP 16 HB3 ASP 16 5.572 -0.398 -0.398
98 H VAL 17 HN VAL 17 5.855 0.045 0.045
99 HA VAL 17 HA VAL 17 6.552 2.710 2.710
100 HB VAL 17 HB VAL 17 4.467 2.587 2.587
101 1HG1 VAL 17 HG13 VAL 17 3.464 0.760 0.760
102 2HG1 VAL 17 HG11 VAL 17 3.034 2.033 2.033
103 3HG1 VAL 17 HG12 VAL 17 2.354 2.067 2.067
104 1HG2 VAL 17 HG22 VAL 17 5.214 4.612 4.612
105 2HG2 VAL 17 HG23 VAL 17 3.636 4.622 4.622
106 3HG2 VAL 17 HG21 VAL 17 3.738 4.201 4.201
107 H VAL 18 HN VAL 18 7.840 2.421 2.421
108 HA VAL 18 HA VAL 18 6.342 1.953 1.953
109 HB VAL 18 HB VAL 18 9.295 2.208 2.208
110 1HG1 VAL 18 HG13 VAL 18 7.185 0.972 0.972
111 2HG1 VAL 18 HG11 VAL 18 8.499 -0.174 -0.174
112 3HG1 VAL 18 HG12 VAL 18 8.861 1.371 1.371
113 1HG2 VAL 18 HG23 VAL 18 8.818 0.987 0.987
114 2HG2 VAL 18 HG21 VAL 18 9.690 0.007 0.007
115 3HG2 VAL 18 HG22 VAL 18 7.947 -0.244 -0.244
116 H ILE 19 HN ILE 19 5.641 3.705 3.705
117 HA ILE 19 HA ILE 19 7.410 6.014 6.014
118 HB ILE 19 HB ILE 19 5.693 7.570 7.570
119 1HG1 ILE 19 HG12 ILE 19 3.914 5.191 5.191
120 2HG1 ILE 19 HG13 ILE 19 3.641 6.846 6.846
121 1HG2 ILE 19 HG21 ILE 19 7.060 6.313 6.313
122 2HG2 ILE 19 HG22 ILE 19 5.516 5.523 5.523
123 3HG2 ILE 19 HG23 ILE 19 5.664 7.293 7.293
124 1HD1 ILE 19 HD13 ILE 19 3.627 7.431 7.431
125 2HD1 ILE 19 HD11 ILE 19 3.435 5.679 5.679
126 3HD1 ILE 19 HD12 ILE 19 2.210 6.587 6.587
127 H ARG 20 HN ARG 20 7.651 6.653 6.653
128 HA ARG 20 HA ARG 20 6.110 5.336 5.336
129 1HB ARG 20 HB2 ARG 20 8.026 7.684 7.684
130 2HB ARG 20 HB3 ARG 20 7.554 6.501 6.501
131 1HG ARG 20 HG2 ARG 20 8.892 4.814 4.814
132 2HG ARG 20 HG3 ARG 20 8.802 5.469 5.469
133 1HD ARG 20 HD2 ARG 20 11.061 5.709 5.709
134 2HD ARG 20 HD3 ARG 20 10.463 7.110 7.110
135 HE ARG 20 HE ARG 20 9.344 7.509 7.509
136 1HH1 ARG 20 HH22 ARG 20 12.626 6.649 6.649
137 2HH1 ARG 20 HH21 ARG 20 13.355 7.420 7.420
138 1HH2 ARG 20 HH12 ARG 20 10.306 8.525 8.525
139 2HH2 ARG 20 HH11 ARG 20 12.027 8.493 8.493
140 H THR 21 HN THR 21 4.397 6.869 6.869
141 HA THR 21 HA THR 21 3.851 9.443 9.443
142 HB THR 21 HB THR 21 3.064 8.635 8.635
143 HG1 THR 21 HG1 THR 21 1.254 9.831 9.831
144 1HG2 THR 21 HG23 THR 21 2.641 6.195 6.195
145 2HG2 THR 21 HG21 THR 21 1.038 6.856 6.856
146 3HG2 THR 21 HG22 THR 21 1.582 6.815 6.815
147 H LYS 22 HN LYS 22 1.439 9.873 9.873
148 HA LYS 22 HA LYS 22 1.023 8.071 8.071
149 1HB LYS 22 HB2 LYS 22 0.814 9.938 9.938
150 2HB LYS 22 HB3 LYS 22 2.398 9.956 9.956
151 1HG LYS 22 HG2 LYS 22 1.743 11.729 11.729
152 2HG LYS 22 HG3 LYS 22 0.059 11.594 11.594
153 1HD LYS 22 HD2 LYS 22 2.375 12.701 12.701
154 2HD LYS 22 HD3 LYS 22 0.873 13.495 13.495
155 1HE LYS 22 HE2 LYS 22 -0.291 11.612 11.612
156 2HE LYS 22 HE3 LYS 22 1.308 11.297 11.297
157 1HZ LYS 22 HZ3 LYS 22 0.420 14.050 14.050
158 2HZ LYS 22 HZ1 LYS 22 -0.282 13.056 13.056
159 3HZ LYS 22 HZ2 LYS 22 1.337 13.267 13.267
160 H ALA 23 HN ALA 23 -1.023 7.327 7.327
161 HA ALA 23 HA ALA 23 -2.962 8.798 8.798
162 1HB ALA 23 HB1 ALA 23 -2.650 6.394 6.394
163 2HB ALA 23 HB2 ALA 23 -3.026 6.038 6.038
164 3HB ALA 23 HB3 ALA 23 -4.282 6.711 6.711
165 H VAL 24 HN VAL 24 -3.732 10.523 10.523
166 HA VAL 24 HA VAL 24 -4.550 9.948 9.948
167 HB VAL 24 HB VAL 24 -4.812 12.506 12.506
168 1HG1 VAL 24 HG13 VAL 24 -2.210 10.990 10.990
169 2HG1 VAL 24 HG11 VAL 24 -2.229 12.747 12.747
170 3HG1 VAL 24 HG12 VAL 24 -3.074 11.660 11.660
171 1HG2 VAL 24 HG22 VAL 24 -4.693 12.670 12.670
172 2HG2 VAL 24 HG23 VAL 24 -3.593 13.760 13.760
173 3HG2 VAL 24 HG21 VAL 24 -2.960 12.277 12.277
174 H SER 25 HN SER 25 -5.700 11.001 11.001
175 HA SER 25 HA SER 25 -8.395 11.011 11.011
176 1HB SER 25 HB2 SER 25 -8.256 13.023 13.023
177 2HB SER 25 HB3 SER 25 -7.034 12.444 12.444
178 HG SER 25 HG SER 25 -9.360 12.860 12.860
179 H GLU 26 HN GLU 26 -10.099 10.216 10.216
180 HA GLU 26 HA GLU 26 -9.063 8.171 8.171
181 1HB GLU 26 HB2 GLU 26 -9.122 6.746 6.746
182 2HB GLU 26 HB3 GLU 26 -10.536 7.525 7.525
183 1HG GLU 26 HG2 GLU 26 -10.832 6.180 6.180
184 2HG GLU 26 HG3 GLU 26 -10.698 5.156 5.156
185 H LYS 27 HN LYS 27 -10.706 7.368 7.368
186 HA LYS 27 HA LYS 27 -13.162 8.977 8.977
187 1HB LYS 27 HB2 LYS 27 -11.513 9.869 9.869
188 2HB LYS 27 HB3 LYS 27 -11.502 8.321 8.321
189 1HG LYS 27 HG2 LYS 27 -13.632 8.606 8.606
190 2HG LYS 27 HG3 LYS 27 -14.202 9.533 9.533
191 1HD LYS 27 HD2 LYS 27 -13.931 10.873 10.873
192 2HD LYS 27 HD3 LYS 27 -13.095 11.540 11.540
193 1HE LYS 27 HE2 LYS 27 -10.954 10.642 10.642
194 2HE LYS 27 HE3 LYS 27 -11.727 9.701 9.701
195 1HZ LYS 27 HZ2 LYS 27 -12.444 11.775 11.775
196 2HZ LYS 27 HZ3 LYS 27 -11.676 12.635 12.635
197 3HZ LYS 27 HZ1 LYS 27 -10.817 11.709 11.709
198 H GLU 28 HN GLU 28 -14.718 7.538 7.538
199 HA GLU 28 HA GLU 28 -14.464 4.808 4.808
200 1HB GLU 28 HB2 GLU 28 -15.630 5.297 5.297
201 2HB GLU 28 HB3 GLU 28 -16.630 6.518 6.518
202 1HG GLU 28 HG2 GLU 28 -17.214 4.213 4.213
203 2HG GLU 28 HG3 GLU 28 -17.025 3.593 3.593
204 H VAL 29 HN VAL 29 -14.335 4.558 4.558
205 HA VAL 29 HA VAL 29 -16.627 5.564 5.564
206 HB VAL 29 HB VAL 29 -15.213 5.082 5.082
207 1HG1 VAL 29 HG12 VAL 29 -15.104 7.227 7.227
208 2HG1 VAL 29 HG13 VAL 29 -13.391 6.743 6.743
209 3HG1 VAL 29 HG11 VAL 29 -14.238 7.118 7.118
210 1HG2 VAL 29 HG23 VAL 29 -13.880 3.251 3.251
211 2HG2 VAL 29 HG21 VAL 29 -12.901 4.454 4.454
212 3HG2 VAL 29 HG22 VAL 29 -12.994 4.502 4.502
213 H ASP 30 HN ASP 30 -18.206 4.190 4.190
214 HA ASP 30 HA ASP 30 -18.143 1.546 1.546
215 1HB ASP 30 HB2 ASP 30 -19.942 3.269 3.269
216 2HB ASP 30 HB3 ASP 30 -20.131 1.540 1.540
217 H SER 31 HN SER 31 -18.393 -0.411 -0.411
218 HA SER 31 HA SER 31 -17.283 0.021 0.021
219 1HB SER 31 HB2 SER 31 -15.224 -0.503 -0.503
220 2HB SER 31 HB3 SER 31 -15.925 -1.441 -1.441
221 HG SER 31 HG SER 31 -15.643 -2.250 -2.250
222 H GLY 32 HN GLY 32 -19.871 -0.853 -0.853
223 1HA GLY 32 HA1 GLY 32 -21.583 -2.212 -2.212
224 2HA GLY 32 HA2 GLY 32 -20.587 -2.927 -2.927
225 H ASN 33 HN ASN 33 -22.050 -4.788 -4.788
226 HA ASN 33 HA ASN 33 -20.846 -5.778 -5.778
227 1HB ASN 33 HB2 ASN 33 -22.784 -7.315 -7.315
228 2HB ASN 33 HB3 ASN 33 -22.585 -7.443 -7.443
229 1HD2 ASN 33 HD22 ASN 33 -25.490 -5.202 -5.202
230 2HD2 ASN 33 HD21 ASN 33 -24.725 -6.575 -6.575
231 H ASP 34 HN ASP 34 -20.127 -8.209 -8.209
232 HA ASP 34 HA ASP 34 -18.407 -8.566 -8.566
233 1HB ASP 34 HB2 ASP 34 -17.848 -8.797 -8.797
234 2HB ASP 34 HB3 ASP 34 -18.464 -10.423 -10.423
235 H ILE 35 HN ILE 35 -18.106 -11.471 -11.471
236 HA ILE 35 HA ILE 35 -20.473 -12.292 -12.292
237 HB ILE 35 HB ILE 35 -17.953 -13.780 -13.780
238 1HG1 ILE 35 HG12 ILE 35 -17.477 -13.446 -13.446
239 2HG1 ILE 35 HG13 ILE 35 -18.757 -12.249 -12.249
240 1HG2 ILE 35 HG21 ILE 35 -20.429 -14.579 -14.579
241 2HG2 ILE 35 HG22 ILE 35 -18.869 -15.134 -15.134
242 3HG2 ILE 35 HG23 ILE 35 -19.328 -15.538 -15.538
243 1HD1 ILE 35 HD11 ILE 35 -16.611 -12.065 -12.065
244 2HD1 ILE 35 HD12 ILE 35 -16.246 -11.522 -11.522
245 3HD1 ILE 35 HD13 ILE 35 -17.575 -10.766 -10.766
246 H TYR 36 HN TYR 36 -19.826 -11.812 -11.812
247 HA TYR 36 HA TYR 36 -21.304 -14.210 -14.210
248 1HB TYR 36 HB2 TYR 36 -18.929 -13.172 -13.172
249 2HB TYR 36 HB3 TYR 36 -19.994 -12.151 -12.151
250 HD1 TYR 36 HD1 TYR 36 -20.078 -15.804 -15.804
251 HD2 TYR 36 HD2 TYR 36 -20.035 -12.852 -12.852
252 HE1 TYR 36 HE1 TYR 36 -20.284 -17.632 -17.632
253 HE2 TYR 36 HE2 TYR 36 -20.241 -14.690 -14.690
254 HH TYR 36 HH TYR 36 -19.866 -16.957 -16.957
255 H GLY 37 HN GLY 37 -21.873 -11.069 -11.069
256 1HA GLY 37 HA1 GLY 37 -23.888 -9.977 -9.977
257 2HA GLY 37 HA2 GLY 37 -24.375 -10.988 -10.988
258 H ASN 38 HN ASN 38 -21.328 -10.219 -10.219
259 HA ASN 38 HA ASN 38 -22.275 -8.241 -8.241
260 1HB ASN 38 HB2 ASN 38 -19.761 -8.253 -8.253
261 2HB ASN 38 HB3 ASN 38 -20.655 -9.744 -9.744
262 1HD2 ASN 38 HD22 ASN 38 -17.407 -10.556 -10.556
263 2HD2 ASN 38 HD21 ASN 38 -17.967 -9.821 -9.821
264 HA PRO 39 HA PRO 39 -20.807 -4.780 -4.780
265 1HB PRO 39 HB2 PRO 39 -20.350 -2.951 -2.951
266 2HB PRO 39 HB3 PRO 39 -21.947 -3.300 -3.300
267 1HG PRO 39 HG2 PRO 39 -20.753 -4.132 -4.132
268 2HG PRO 39 HG3 PRO 39 -22.441 -4.098 -4.098
269 1HD PRO 39 HD2 PRO 39 -20.755 -6.411 -6.411
270 2HD PRO 39 HD3 PRO 39 -22.409 -6.361 -6.361
271 H ILE 40 HN ILE 40 -19.019 -4.320 -4.320
272 HA ILE 40 HA ILE 40 -16.593 -5.364 -5.364
273 HB ILE 40 HB ILE 40 -17.281 -3.504 -3.504
274 1HG1 ILE 40 HG12 ILE 40 -16.695 -6.474 -6.474
275 2HG1 ILE 40 HG13 ILE 40 -18.231 -5.719 -5.719
276 1HG2 ILE 40 HG23 ILE 40 -14.620 -4.708 -4.708
277 2HG2 ILE 40 HG21 ILE 40 -14.992 -4.145 -4.145
278 3HG2 ILE 40 HG22 ILE 40 -15.023 -2.998 -2.998
279 1HD1 ILE 40 HD13 ILE 40 -16.651 -4.498 -4.498
280 2HD1 ILE 40 HD11 ILE 40 -15.812 -6.059 -6.059
281 3HD1 ILE 40 HD12 ILE 40 -17.532 -6.017 -6.017
282 H LYS 41 HN LYS 41 -17.068 -1.906 -1.906
283 HA LYS 41 HA LYS 41 -16.467 -0.022 -0.022
284 1HB LYS 41 HB2 LYS 41 -17.799 -0.747 -0.747
285 2HB LYS 41 HB3 LYS 41 -16.456 -1.673 -1.673
286 1HG LYS 41 HG2 LYS 41 -16.421 0.390 0.390
287 2HG LYS 41 HG3 LYS 41 -15.111 0.518 0.518
288 1HD LYS 41 HD2 LYS 41 -16.228 2.599 2.599
289 2HD LYS 41 HD3 LYS 41 -16.828 1.681 1.681
290 1HE LYS 41 HE2 LYS 41 -18.780 0.952 0.952
291 2HE LYS 41 HE3 LYS 41 -18.245 2.247 2.247
292 1HZ LYS 41 HZ3 LYS 41 -18.557 2.946 2.946
293 2HZ LYS 41 HZ1 LYS 41 -19.939 2.600 2.600
294 3HZ LYS 41 HZ2 LYS 41 -18.960 3.788 3.788
295 H ARG 42 HN ARG 42 -14.546 0.970 0.970
296 HA ARG 42 HA ARG 42 -12.195 -0.508 -0.508
297 1HB ARG 42 HB2 ARG 42 -11.325 0.954 0.954
298 2HB ARG 42 HB3 ARG 42 -11.665 -0.764 -0.764
299 1HG ARG 42 HG2 ARG 42 -14.108 -0.190 -0.190
300 2HG ARG 42 HG3 ARG 42 -13.600 1.473 1.473
301 1HD ARG 42 HD2 ARG 42 -11.807 0.432 0.432
302 2HD ARG 42 HD3 ARG 42 -12.871 -0.960 -0.960
303 HE ARG 42 HE ARG 42 -14.585 1.192 1.192
304 1HH1 ARG 42 HH22 ARG 42 -11.694 -0.047 -0.047
305 2HH1 ARG 42 HH21 ARG 42 -12.148 0.528 0.528
306 1HH2 ARG 42 HH12 ARG 42 -15.185 1.951 1.951
307 2HH2 ARG 42 HH11 ARG 42 -14.148 1.673 1.673
308 H ILE 43 HN ILE 43 -12.696 1.084 1.084
309 HA ILE 43 HA ILE 43 -12.717 3.751 3.751
310 HB ILE 43 HB ILE 43 -11.989 1.721 1.721
311 1HG1 ILE 43 HG12 ILE 43 -12.767 3.620 3.620
312 2HG1 ILE 43 HG13 ILE 43 -13.122 4.513 4.513
313 1HG2 ILE 43 HG21 ILE 43 -10.229 4.176 4.176
314 2HG2 ILE 43 HG22 ILE 43 -10.539 3.206 3.206
315 3HG2 ILE 43 HG23 ILE 43 -9.748 2.463 2.463
316 1HD1 ILE 43 HD12 ILE 43 -14.186 1.925 1.925
317 2HD1 ILE 43 HD13 ILE 43 -14.616 2.330 2.330
318 3HD1 ILE 43 HD11 ILE 43 -15.098 3.413 3.413
319 H GLN 44 HN GLN 44 -11.241 5.496 5.496
320 HA GLN 44 HA GLN 44 -8.935 4.809 4.809
321 1HB GLN 44 HB2 GLN 44 -10.281 7.461 7.461
322 2HB GLN 44 HB3 GLN 44 -8.805 7.352 7.352
323 1HG GLN 44 HG2 GLN 44 -11.561 6.285 6.285
324 2HG GLN 44 HG3 GLN 44 -10.573 7.415 7.415
325 1HE2 GLN 44 HE22 GLN 44 -9.994 3.340 3.340
326 2HE2 GLN 44 HE21 GLN 44 -10.975 4.083 4.083
327 H TYR 45 HN TYR 45 -7.021 6.636 6.636
328 HA TYR 45 HA TYR 45 -6.578 6.635 6.635
329 1HB TYR 45 HB2 TYR 45 -5.077 5.351 5.351
330 2HB TYR 45 HB3 TYR 45 -4.081 6.130 6.130
331 HD1 TYR 45 HD2 TYR 45 -5.872 5.489 5.489
332 HD2 TYR 45 HD1 TYR 45 -4.436 3.089 3.089
333 HE1 TYR 45 HE2 TYR 45 -6.032 3.412 3.412
334 HE2 TYR 45 HE1 TYR 45 -4.601 1.021 1.021
335 HH TYR 45 HH TYR 45 -4.596 0.958 0.958
336 H GLU 46 HN GLU 46 -7.350 8.944 8.944
337 HA GLU 46 HA GLU 46 -5.724 10.542 10.542
338 1HB GLU 46 HB2 GLU 46 -8.142 10.882 10.882
339 2HB GLU 46 HB3 GLU 46 -7.208 11.716 11.716
340 1HG GLU 46 HG2 GLU 46 -6.257 13.241 13.241
341 2HG GLU 46 HG3 GLU 46 -6.973 12.330 12.330
342 H ILE 47 HN ILE 47 -3.596 9.585 9.585
343 HA ILE 47 HA ILE 47 -2.742 10.236 10.236
344 HB ILE 47 HB ILE 47 -0.520 9.651 9.651
345 1HG1 ILE 47 HG12 ILE 47 -1.892 9.859 9.859
346 2HG1 ILE 47 HG13 ILE 47 -0.345 10.508 10.508
347 1HG2 ILE 47 HG21 ILE 47 -2.808 8.007 8.007
348 2HG2 ILE 47 HG22 ILE 47 -1.880 7.449 7.449
349 3HG2 ILE 47 HG23 ILE 47 -1.101 7.540 7.540
350 1HD1 ILE 47 HD12 ILE 47 -0.113 7.703 7.703
351 2HD1 ILE 47 HD13 ILE 47 -0.938 7.925 7.925
352 3HD1 ILE 47 HD11 ILE 47 0.643 8.690 8.690
353 H LYS 48 HN LYS 48 -0.293 11.525 11.525
354 HA LYS 48 HA LYS 48 -1.006 14.119 14.119
355 1HB LYS 48 HB2 LYS 48 -1.299 13.787 13.787
356 2HB LYS 48 HB3 LYS 48 0.439 14.002 14.002
357 1HG LYS 48 HG2 LYS 48 -0.476 16.027 16.027
358 2HG LYS 48 HG3 LYS 48 -1.680 15.990 15.990
359 1HD LYS 48 HD2 LYS 48 1.281 16.577 16.577
360 2HD LYS 48 HD3 LYS 48 -0.067 17.487 17.487
361 1HE LYS 48 HE2 LYS 48 -0.300 14.977 14.977
362 2HE LYS 48 HE3 LYS 48 1.430 15.251 15.251
363 1HZ LYS 48 HZ3 LYS 48 0.869 17.530 17.530
364 2HZ LYS 48 HZ1 LYS 48 -0.616 16.944 16.944
365 3HZ LYS 48 HZ2 LYS 48 0.703 16.282 16.282
366 H GLN 49 HN GLN 49 0.946 11.484 11.484
367 HA GLN 49 HA GLN 49 2.943 11.069 11.069
368 1HB GLN 49 HB2 GLN 49 2.623 12.072 12.072
369 2HB GLN 49 HB3 GLN 49 2.213 13.626 13.626
370 1HG GLN 49 HG2 GLN 49 4.418 14.337 14.337
371 2HG GLN 49 HG3 GLN 49 5.041 12.730 12.730
372 1HE2 GLN 49 HE21 GLN 49 4.791 11.129 11.129
373 2HE2 GLN 49 HE22 GLN 49 5.131 11.665 11.665
374 H ILE 50 HN ILE 50 4.762 10.869 10.869
375 HA ILE 50 HA ILE 50 5.806 13.323 13.323
376 HB ILE 50 HB ILE 50 5.583 12.537 12.537
377 1HG1 ILE 50 HG12 ILE 50 6.876 10.044 10.044
378 2HG1 ILE 50 HG13 ILE 50 7.553 11.257 11.257
379 1HG2 ILE 50 HG21 ILE 50 3.472 11.629 11.629
380 2HG2 ILE 50 HG22 ILE 50 4.193 10.040 10.040
381 3HG2 ILE 50 HG23 ILE 50 3.797 11.153 11.153
382 1HD1 ILE 50 HD12 ILE 50 5.225 9.437 9.437
383 2HD1 ILE 50 HD13 ILE 50 6.926 9.116 9.116
384 3HD1 ILE 50 HD11 ILE 50 6.106 10.549 10.549
385 H LYS 51 HN LYS 51 6.285 10.234 10.234
386 HA LYS 51 HA LYS 51 8.931 11.059 11.059
387 1HB LYS 51 HB2 LYS 51 8.692 9.497 9.497
388 2HB LYS 51 HB3 LYS 51 9.171 8.370 8.370
389 1HG LYS 51 HG2 LYS 51 11.194 9.489 9.489
390 2HG LYS 51 HG3 LYS 51 10.593 11.031 11.031
391 1HD LYS 51 HD2 LYS 51 10.423 9.470 9.470
392 2HD LYS 51 HD3 LYS 51 11.847 8.804 8.804
393 1HE LYS 51 HE2 LYS 51 12.666 11.246 11.246
394 2HE LYS 51 HE3 LYS 51 11.366 11.707 11.707
395 1HZ LYS 51 HZ1 LYS 51 13.379 9.681 9.681
396 2HZ LYS 51 HZ2 LYS 51 13.505 11.255 11.255
397 3HZ LYS 51 HZ3 LYS 51 12.279 10.352 10.352
398 H MET 52 HN MET 52 9.919 9.289 9.289
399 HA MET 52 HA MET 52 7.837 7.706 7.706
400 1HB MET 52 HB2 MET 52 8.522 8.637 8.637
401 2HB MET 52 HB3 MET 52 7.689 9.794 9.794
402 1HG MET 52 HG2 MET 52 9.557 11.124 11.124
403 2HG MET 52 HG3 MET 52 10.648 9.758 9.758
404 1HE MET 52 HE3 MET 52 10.167 12.591 12.591
405 2HE MET 52 HE1 MET 52 11.583 12.376 12.376
406 3HE MET 52 HE2 MET 52 9.968 12.609 12.609
407 H PHE 53 HN PHE 53 9.437 6.223 6.223
408 HA PHE 53 HA PHE 53 12.006 5.800 5.800
409 1HB PHE 53 HB2 PHE 53 9.549 4.117 4.117
410 2HB PHE 53 HB3 PHE 53 10.917 3.225 3.225
411 HD1 PHE 53 HD2 PHE 53 13.179 4.492 4.492
412 HD2 PHE 53 HD1 PHE 53 9.333 3.436 3.436
413 HE1 PHE 53 HE2 PHE 53 14.113 4.279 4.279
414 HE2 PHE 53 HE1 PHE 53 10.267 3.221 3.221
415 HZ PHE 53 HZ PHE 53 12.646 3.645 3.645
416 H LYS 54 HN LYS 54 9.747 3.725 3.725
417 HA LYS 54 HA LYS 54 11.385 4.331 4.331
418 1HB LYS 54 HB2 LYS 54 12.159 2.210 2.210
419 2HB LYS 54 HB3 LYS 54 10.521 1.598 1.598
420 1HG LYS 54 HG2 LYS 54 11.385 0.685 0.685
421 2HG LYS 54 HG3 LYS 54 10.334 1.992 1.992
422 1HD LYS 54 HD2 LYS 54 12.638 3.406 3.406
423 2HD LYS 54 HD3 LYS 54 13.336 1.827 1.827
424 1HE LYS 54 HE2 LYS 54 12.667 1.819 1.819
425 2HE LYS 54 HE3 LYS 54 11.070 2.430 2.430
426 1HZ LYS 54 HZ2 LYS 54 13.181 4.329 4.329
427 2HZ LYS 54 HZ3 LYS 54 12.968 3.850 3.850
428 3HZ LYS 54 HZ1 LYS 54 11.726 4.511 4.511
429 H GLY 55 HN GLY 55 9.511 5.929 5.929
430 1HA GLY 55 HA1 GLY 55 7.229 4.562 4.562
431 2HA GLY 55 HA2 GLY 55 7.030 5.947 5.947
432 HA PRO 56 HA PRO 56 7.490 7.678 7.678
433 1HB PRO 56 HB2 PRO 56 5.392 9.424 9.424
434 2HB PRO 56 HB3 PRO 56 5.253 7.807 7.807
435 1HG PRO 56 HG2 PRO 56 4.308 8.833 8.833
436 2HG PRO 56 HG3 PRO 56 3.822 7.379 7.379
437 1HD PRO 56 HD2 PRO 56 5.583 7.540 7.540
438 2HD PRO 56 HD3 PRO 56 5.187 6.102 6.102
439 H GLU 57 HN GLU 57 7.349 10.221 10.221
440 HA GLU 57 HA GLU 57 9.245 11.312 11.312
441 1HB GLU 57 HB2 GLU 57 8.483 12.745 12.745
442 2HB GLU 57 HB3 GLU 57 10.049 12.621 12.621
443 1HG GLU 57 HG2 GLU 57 10.001 10.107 10.107
444 2HG GLU 57 HG3 GLU 57 8.613 10.474 10.474
445 H LYS 58 HN LYS 58 5.955 11.807 11.807
446 HA LYS 58 HA LYS 58 5.696 14.411 14.411
447 1HB LYS 58 HB2 LYS 58 4.489 13.287 13.287
448 2HB LYS 58 HB3 LYS 58 3.356 12.744 12.744
449 1HG LYS 58 HG2 LYS 58 2.378 14.790 14.790
450 2HG LYS 58 HG3 LYS 58 3.613 15.359 15.359
451 1HD LYS 58 HD2 LYS 58 4.023 15.236 15.236
452 2HD LYS 58 HD3 LYS 58 3.406 16.658 16.658
453 1HE LYS 58 HE2 LYS 58 5.568 16.334 16.334
454 2HE LYS 58 HE3 LYS 58 6.162 15.422 15.422
455 1HZ LYS 58 HZ3 LYS 58 5.054 17.720 17.720
456 2HZ LYS 58 HZ1 LYS 58 5.933 18.193 18.193
457 3HZ LYS 58 HZ2 LYS 58 6.642 17.345 17.345
458 H ASP 59 HN ASP 59 3.566 11.549 11.549
459 HA ASP 59 HA ASP 59 4.101 10.780 10.780
460 1HB ASP 59 HB2 ASP 59 4.278 12.910 12.910
461 2HB ASP 59 HB3 ASP 59 2.892 13.552 13.552
462 H ILE 60 HN ILE 60 1.973 10.148 10.148
463 HA ILE 60 HA ILE 60 -0.126 9.662 9.662
464 HB ILE 60 HB ILE 60 0.064 8.224 8.224
465 1HG1 ILE 60 HG12 ILE 60 2.373 8.289 8.289
466 2HG1 ILE 60 HG13 ILE 60 1.695 6.691 6.691
467 1HG2 ILE 60 HG21 ILE 60 -1.840 7.981 7.981
468 2HG2 ILE 60 HG22 ILE 60 -0.668 7.181 7.181
469 3HG2 ILE 60 HG23 ILE 60 -1.037 6.480 6.480
470 1HD1 ILE 60 HD13 ILE 60 1.095 7.923 7.923
471 2HD1 ILE 60 HD11 ILE 60 2.806 7.528 7.528
472 3HD1 ILE 60 HD12 ILE 60 1.567 6.254 6.254
473 H GLU 61 HN GLU 61 -0.020 9.960 9.960
474 HA GLU 61 HA GLU 61 -1.114 11.267 11.267
475 1HB GLU 61 HB2 GLU 61 -1.173 12.839 12.839
476 2HB GLU 61 HB3 GLU 61 -2.714 13.013 13.013
477 1HG GLU 61 HG2 GLU 61 -1.012 13.225 13.225
478 2HG GLU 61 HG3 GLU 61 0.008 13.882 13.882
479 H PHE 62 HN PHE 62 -2.458 9.298 9.298
480 HA PHE 62 HA PHE 62 -4.860 8.983 8.983
481 1HB PHE 62 HB2 PHE 62 -4.635 10.259 10.259
482 2HB PHE 62 HB3 PHE 62 -5.677 8.852 8.852
483 HD1 PHE 62 HD1 PHE 62 -7.309 8.787 8.787
484 HD2 PHE 62 HD2 PHE 62 -5.758 12.243 12.243
485 HE1 PHE 62 HE1 PHE 62 -9.205 10.149 10.149
486 HE2 PHE 62 HE2 PHE 62 -7.655 13.604 13.604
487 HZ PHE 62 HZ PHE 62 -9.357 12.540 12.540
488 H ILE 63 HN ILE 63 -4.457 6.867 6.867
489 HA ILE 63 HA ILE 63 -3.778 5.044 5.044
490 HB ILE 63 HB ILE 63 -3.472 4.333 4.333
491 1HG1 ILE 63 HG12 ILE 63 -2.382 6.684 6.684
492 2HG1 ILE 63 HG13 ILE 63 -1.733 5.679 5.679
493 1HG2 ILE 63 HG21 ILE 63 -2.217 3.523 3.523
494 2HG2 ILE 63 HG22 ILE 63 -1.432 3.169 3.169
495 3HG2 ILE 63 HG23 ILE 63 -3.053 2.520 2.520
496 1HD1 ILE 63 HD11 ILE 63 -0.963 5.252 5.252
497 2HD1 ILE 63 HD12 ILE 63 -0.087 6.382 6.382
498 3HD1 ILE 63 HD13 ILE 63 -0.134 4.647 4.647
499 H TYR 64 HN TYR 64 -4.744 2.783 2.783
500 HA TYR 64 HA TYR 64 -7.498 3.069 3.069
501 1HB TYR 64 HB2 TYR 64 -6.167 1.618 1.618
502 2HB TYR 64 HB3 TYR 64 -7.804 1.231 1.231
503 HD1 TYR 64 HD1 TYR 64 -5.915 4.443 4.443
504 HD2 TYR 64 HD2 TYR 64 -9.379 2.108 2.108
505 HE1 TYR 64 HE1 TYR 64 -6.807 6.327 6.327
506 HE2 TYR 64 HE2 TYR 64 -10.260 4.000 4.000
507 HH TYR 64 HH TYR 64 -10.015 6.376 6.376
508 H THR 65 HN THR 65 -8.503 1.146 1.146
509 HA THR 65 HA THR 65 -7.071 -1.256 -1.256
510 HB THR 65 HB THR 65 -5.690 0.221 0.221
511 HG1 THR 65 HG1 THR 65 -6.400 -2.102 -2.102
512 1HG2 THR 65 HG23 THR 65 -8.432 0.787 0.787
513 2HG2 THR 65 HG21 THR 65 -7.045 0.680 0.680
514 3HG2 THR 65 HG22 THR 65 -7.049 1.890 1.890
515 H ALA 66 HN ALA 66 -8.230 -2.014 -2.014
516 HA ALA 66 HA ALA 66 -11.029 -2.075 -2.075
517 1HB ALA 66 HB2 ALA 66 -9.238 -4.113 -4.113
518 2HB ALA 66 HB3 ALA 66 -10.197 -3.954 -3.954
519 3HB ALA 66 HB1 ALA 66 -11.010 -4.266 -4.266
520 HA PRO 67 HA PRO 67 -12.178 0.081 0.081
521 1HB PRO 67 HB2 PRO 67 -14.724 -0.817 -0.817
522 2HB PRO 67 HB3 PRO 67 -14.322 0.395 0.395
523 1HG PRO 67 HG2 PRO 67 -15.000 -2.456 -2.456
524 2HG PRO 67 HG3 PRO 67 -15.014 -1.150 -1.150
525 1HD PRO 67 HD2 PRO 67 -13.023 -3.199 -3.199
526 2HD PRO 67 HD3 PRO 67 -12.979 -1.828 -1.828
527 H SER 68 HN SER 68 -13.912 -0.609 -0.609
528 HA SER 68 HA SER 68 -13.757 -1.464 -1.464
529 1HB SER 68 HB2 SER 68 -13.435 -3.764 -3.764
530 2HB SER 68 HB3 SER 68 -12.804 -4.076 -4.076
531 HG SER 68 HG SER 68 -15.254 -2.788 -2.788
532 H SER 69 HN SER 69 -12.075 -3.119 -3.119
533 HA SER 69 HA SER 69 -9.910 -1.551 -1.551
534 1HB SER 69 HB2 SER 69 -10.381 -3.027 -3.027
535 2HB SER 69 HB3 SER 69 -10.658 -4.382 -4.382
536 HG SER 69 HG SER 69 -8.681 -4.661 -4.661
537 H ALA 70 HN ALA 70 -10.357 -4.180 -4.180
538 HA ALA 70 HA ALA 70 -8.670 -3.581 -3.581
539 1HB ALA 70 HB2 ALA 70 -7.052 -4.375 -4.375
540 2HB ALA 70 HB3 ALA 70 -6.485 -4.890 -4.890
541 3HB ALA 70 HB1 ALA 70 -6.708 -3.159 -3.159
542 H VAL 71 HN VAL 71 -9.669 -4.983 -4.983
543 HA VAL 71 HA VAL 71 -9.807 -7.786 -7.786
544 HB VAL 71 HB VAL 71 -11.792 -8.011 -8.011
545 1HG1 VAL 71 HG11 VAL 71 -11.976 -6.448 -6.448
546 2HG1 VAL 71 HG12 VAL 71 -11.909 -5.088 -5.088
547 3HG1 VAL 71 HG13 VAL 71 -13.258 -6.248 -6.248
548 1HG2 VAL 71 HG23 VAL 71 -10.828 -6.980 -6.980
549 2HG2 VAL 71 HG21 VAL 71 -12.566 -6.732 -6.732
550 3HG2 VAL 71 HG22 VAL 71 -11.414 -5.416 -5.416
551 H CYS 72 HN CYS 72 -9.126 -5.548 -5.548
552 HA CYS 72 HA CYS 72 -7.508 -7.715 -7.715
553 1HB CYS 72 HB2 CYS 72 -9.159 -5.669 -5.669
554 2HB CYS 72 HB3 CYS 72 -8.002 -6.752 -6.752
555 H GLY 73 HN GLY 73 -7.171 -5.218 -5.218
556 1HA GLY 73 HA1 GLY 73 -4.734 -4.270 -4.270
557 2HA GLY 73 HA2 GLY 73 -5.959 -3.067 -3.067
558 H VAL 74 HN VAL 74 -4.381 -2.074 -2.074
559 HA VAL 74 HA VAL 74 -4.154 -3.590 -3.590
560 HB VAL 74 HB VAL 74 -2.349 -1.534 -1.534
561 1HG1 VAL 74 HG12 VAL 74 -2.257 -2.678 -2.678
562 2HG1 VAL 74 HG13 VAL 74 -0.919 -1.797 -1.797
563 3HG1 VAL 74 HG11 VAL 74 -2.466 -0.973 -0.973
564 1HG2 VAL 74 HG23 VAL 74 -2.333 -4.115 -4.115
565 2HG2 VAL 74 HG21 VAL 74 -0.810 -3.224 -3.224
566 3HG2 VAL 74 HG22 VAL 74 -1.469 -4.218 -4.218
567 H SER 75 HN SER 75 -5.870 -1.184 -1.184
568 HA SER 75 HA SER 75 -6.837 0.707 0.707
569 1HB SER 75 HB2 SER 75 -8.698 -0.044 -0.044
570 2HB SER 75 HB3 SER 75 -7.846 -1.535 -1.535
571 HG SER 75 HG SER 75 -8.346 0.707 0.707
572 H LEU 76 HN LEU 76 -5.108 2.200 2.200
573 HA LEU 76 HA LEU 76 -4.236 2.405 2.405
574 1HB LEU 76 HB2 LEU 76 -2.863 3.879 3.879
575 2HB LEU 76 HB3 LEU 76 -2.220 3.191 3.191
576 HG LEU 76 HG LEU 76 -2.993 0.937 0.937
577 1HD1 LEU 76 HD12 LEU 76 -3.259 2.786 2.786
578 2HD1 LEU 76 HD13 LEU 76 -1.532 2.405 2.405
579 3HD1 LEU 76 HD11 LEU 76 -2.747 1.110 1.110
580 1HD2 LEU 76 HD22 LEU 76 -0.616 2.140 2.140
581 2HD2 LEU 76 HD23 LEU 76 -0.908 0.433 0.433
582 3HD2 LEU 76 HD21 LEU 76 -0.278 1.551 1.551
583 H ASP 77 HN ASP 77 -4.775 4.176 4.176
584 HA ASP 77 HA ASP 77 -6.242 6.232 6.232
585 1HB ASP 77 HB2 ASP 77 -7.715 6.421 6.421
586 2HB ASP 77 HB3 ASP 77 -7.318 4.717 4.717
587 H VAL 78 HN VAL 78 -3.331 5.460 5.460
588 HA VAL 78 HA VAL 78 -1.592 6.670 6.670
589 HB VAL 78 HB VAL 78 -3.289 8.663 8.663
590 1HG1 VAL 78 HG11 VAL 78 -1.412 9.443 9.443
591 2HG1 VAL 78 HG12 VAL 78 -1.540 10.473 10.473
592 3HG1 VAL 78 HG13 VAL 78 -2.985 10.139 10.139
593 1HG2 VAL 78 HG23 VAL 78 -0.645 7.420 7.420
594 2HG2 VAL 78 HG21 VAL 78 -1.722 8.088 8.088
595 3HG2 VAL 78 HG22 VAL 78 -0.634 9.167 9.167
596 H GLY 79 HN GLY 79 -4.732 8.140 8.140
597 1HA GLY 79 HA1 GLY 79 -4.002 9.336 9.336
598 2HA GLY 79 HA2 GLY 79 -5.528 8.511 8.511
599 H GLY 80 HN GLY 80 -3.769 5.931 5.931
600 1HA GLY 80 HA1 GLY 80 -3.380 5.300 5.300
601 2HA GLY 80 HA2 GLY 80 -4.008 4.177 4.177
602 H LYS 81 HN LYS 81 -2.184 5.005 5.005
603 HA LYS 81 HA LYS 81 0.186 3.623 3.623
604 1HB LYS 81 HB2 LYS 81 0.393 3.863 3.863
605 2HB LYS 81 HB3 LYS 81 -0.103 2.446 2.446
606 1HG LYS 81 HG2 LYS 81 -2.043 4.648 4.648
607 2HG LYS 81 HG3 LYS 81 -1.736 3.219 3.219
608 1HD LYS 81 HD2 LYS 81 -2.969 1.860 1.860
609 2HD LYS 81 HD3 LYS 81 -2.341 2.598 2.598
610 1HE LYS 81 HE2 LYS 81 -4.216 3.856 3.856
611 2HE LYS 81 HE3 LYS 81 -3.994 4.547 4.547
612 1HZ LYS 81 HZ3 LYS 81 -4.972 2.402 2.402
613 2HZ LYS 81 HZ1 LYS 81 -5.437 2.101 2.101
614 3HZ LYS 81 HZ2 LYS 81 -6.000 3.421 3.421
615 H LYS 82 HN LYS 82 0.281 5.670 5.670
616 HA LYS 82 HA LYS 82 0.963 8.095 8.095
617 1HB LYS 82 HB2 LYS 82 3.526 7.938 7.938
618 2HB LYS 82 HB3 LYS 82 2.600 7.461 7.461
619 1HG LYS 82 HG2 LYS 82 2.814 5.119 5.119
620 2HG LYS 82 HG3 LYS 82 4.403 5.855 5.855
621 1HD LYS 82 HD2 LYS 82 4.794 5.163 5.163
622 2HD LYS 82 HD3 LYS 82 3.361 5.992 5.992
623 1HE LYS 82 HE2 LYS 82 2.073 4.079 4.079
624 2HE LYS 82 HE3 LYS 82 2.807 3.468 3.468
625 1HZ LYS 82 HZ3 LYS 82 4.835 3.320 3.320
626 2HZ LYS 82 HZ1 LYS 82 3.590 3.050 3.050
627 3HZ LYS 82 HZ2 LYS 82 3.798 2.089 2.089
628 H GLU 83 HN GLU 83 2.956 5.681 5.681
629 HA GLU 83 HA GLU 83 1.944 6.717 6.717
630 1HB GLU 83 HB2 GLU 83 4.781 7.006 7.006
631 2HB GLU 83 HB3 GLU 83 3.540 8.230 8.230
632 1HG GLU 83 HG2 GLU 83 5.158 8.944 8.944
633 2HG GLU 83 HG3 GLU 83 3.605 8.656 8.656
634 H TYR 84 HN TYR 84 3.044 5.553 5.553
635 HA TYR 84 HA TYR 84 4.397 3.101 3.101
636 1HB TYR 84 HB2 TYR 84 2.644 1.852 1.852
637 2HB TYR 84 HB3 TYR 84 1.979 2.547 2.547
638 HD1 TYR 84 HD2 TYR 84 2.618 3.683 3.683
639 HD2 TYR 84 HD1 TYR 84 -0.097 3.538 3.538
640 HE1 TYR 84 HE2 TYR 84 0.871 4.922 4.922
641 HE2 TYR 84 HE1 TYR 84 -1.834 4.777 4.777
642 HH TYR 84 HH TYR 84 -2.288 4.985 4.985
643 H LEU 85 HN LEU 85 5.434 2.010 2.010
644 HA LEU 85 HA LEU 85 6.188 3.914 3.914
645 1HB LEU 85 HB2 LEU 85 7.814 2.157 2.157
646 2HB LEU 85 HB3 LEU 85 7.952 2.728 2.728
647 HG LEU 85 HG LEU 85 8.114 0.166 0.166
648 1HD1 LEU 85 HD13 LEU 85 7.905 1.558 1.558
649 2HD1 LEU 85 HD11 LEU 85 6.425 0.574 0.574
650 3HD1 LEU 85 HD12 LEU 85 8.009 -0.218 -0.218
651 1HD2 LEU 85 HD23 LEU 85 5.956 0.034 0.034
652 2HD2 LEU 85 HD21 LEU 85 6.003 -1.031 -1.031
653 3HD2 LEU 85 HD22 LEU 85 5.124 0.515 0.515
654 H ILE 86 HN ILE 86 3.515 2.076 2.076
655 HA ILE 86 HA ILE 86 2.529 0.513 0.513
656 HB ILE 86 HB ILE 86 1.969 3.331 3.331
657 1HG1 ILE 86 HG12 ILE 86 -0.305 2.588 2.588
658 2HG1 ILE 86 HG13 ILE 86 0.094 0.994 0.994
659 1HG2 ILE 86 HG21 ILE 86 1.722 1.845 1.845
660 2HG2 ILE 86 HG22 ILE 86 0.467 3.021 3.021
661 3HG2 ILE 86 HG23 ILE 86 2.162 3.541 3.541
662 1HD1 ILE 86 HD13 ILE 86 1.788 1.638 1.638
663 2HD1 ILE 86 HD11 ILE 86 0.067 1.824 1.824
664 3HD1 ILE 86 HD12 ILE 86 0.666 0.274 0.274
665 H ALA 87 HN ALA 87 3.683 -0.879 -0.879
666 HA ALA 87 HA ALA 87 4.675 0.249 0.249
667 1HB ALA 87 HB3 ALA 87 6.078 -1.290 -1.290
668 2HB ALA 87 HB1 ALA 87 6.310 -1.910 -1.910
669 3HB ALA 87 HB2 ALA 87 6.732 -0.224 -0.224
670 H GLY 88 HN GLY 88 3.367 -0.511 -0.511
671 1HA GLY 88 HA1 GLY 88 2.762 -3.381 -3.381
672 2HA GLY 88 HA2 GLY 88 1.425 -2.249 -2.249
673 H LYS 89 HN LYS 89 1.356 -3.729 -3.729
674 HA LYS 89 HA LYS 89 3.062 -3.318 -3.318
675 1HB LYS 89 HB2 LYS 89 1.092 -3.858 -3.858
676 2HB LYS 89 HB3 LYS 89 1.356 -4.981 -4.981
677 1HG LYS 89 HG2 LYS 89 -0.320 -3.004 -3.004
678 2HG LYS 89 HG3 LYS 89 -0.940 -3.214 -3.214
679 1HD LYS 89 HD2 LYS 89 -1.546 -5.440 -5.440
680 2HD LYS 89 HD3 LYS 89 -0.279 -5.714 -5.714
681 1HE LYS 89 HE2 LYS 89 -1.835 -5.435 -5.435
682 2HE LYS 89 HE3 LYS 89 -1.904 -3.739 -3.739
683 1HZ LYS 89 HZ3 LYS 89 -3.411 -5.050 -5.050
684 2HZ LYS 89 HZ1 LYS 89 -3.820 -5.736 -5.736
685 3HZ LYS 89 HZ2 LYS 89 -3.959 -4.120 -4.120
686 H ALA 90 HN ALA 90 0.552 -1.157 -1.157
687 HA ALA 90 HA ALA 90 0.377 1.061 1.061
688 1HB ALA 90 HB2 ALA 90 2.920 0.823 0.823
689 2HB ALA 90 HB3 ALA 90 2.282 1.156 1.156
690 3HB ALA 90 HB1 ALA 90 2.033 2.334 2.334
691 H GLU 91 HN GLU 91 -0.365 2.696 2.696
692 HA GLU 91 HA GLU 91 -1.670 1.158 1.158
693 1HB GLU 91 HB2 GLU 91 -3.143 1.776 1.776
694 2HB GLU 91 HB3 GLU 91 -3.185 3.371 3.371
695 1HG GLU 91 HG2 GLU 91 -5.120 1.947 1.947
696 2HG GLU 91 HG3 GLU 91 -4.150 2.482 2.482
697 H GLY 92 HN GLY 92 0.575 3.388 3.388
698 1HA GLY 92 HA1 GLY 92 1.322 4.513 4.513
699 2HA GLY 92 HA2 GLY 92 -0.275 5.234 5.234
700 H ASP 93 HN ASP 93 -0.267 7.332 7.332
701 HA ASP 93 HA ASP 93 1.410 7.932 7.932
702 1HB ASP 93 HB2 ASP 93 1.008 9.473 9.473
703 2HB ASP 93 HB3 ASP 93 1.472 10.318 10.318
704 H GLY 94 HN GLY 94 0.439 9.453 9.453
705 1HA GLY 94 HA1 GLY 94 -1.173 10.780 10.780
706 2HA GLY 94 HA2 GLY 94 -2.033 10.780 10.780
707 H LYS 95 HN LYS 95 -1.402 7.558 7.558
708 HA LYS 95 HA LYS 95 -3.125 6.844 6.844
709 1HB LYS 95 HB2 LYS 95 -5.173 6.341 6.341
710 2HB LYS 95 HB3 LYS 95 -4.783 7.959 7.959
711 1HG LYS 95 HG2 LYS 95 -4.007 5.500 5.500
712 2HG LYS 95 HG3 LYS 95 -5.588 6.238 6.238
713 1HD LYS 95 HD2 LYS 95 -4.771 8.085 8.085
714 2HD LYS 95 HD3 LYS 95 -3.322 8.168 8.168
715 1HE LYS 95 HE2 LYS 95 -2.101 6.953 6.953
716 2HE LYS 95 HE3 LYS 95 -3.360 5.748 5.748
717 1HZ LYS 95 HZ1 LYS 95 -4.485 7.708 7.708
718 2HZ LYS 95 HZ2 LYS 95 -2.938 8.183 8.183
719 3HZ LYS 95 HZ3 LYS 95 -3.423 6.711 6.711
720 H MET 96 HN MET 96 -3.091 4.584 4.584
721 HA MET 96 HA MET 96 -1.948 3.008 3.008
722 1HB MET 96 HB2 MET 96 -0.417 2.053 2.053
723 2HB MET 96 HB3 MET 96 0.135 3.350 3.350
724 1HG MET 96 HG2 MET 96 0.035 4.899 4.899
725 2HG MET 96 HG3 MET 96 -1.543 4.353 4.353
726 1HE MET 96 HE1 MET 96 1.859 4.727 4.727
727 2HE MET 96 HE2 MET 96 1.623 4.783 4.783
728 3HE MET 96 HE3 MET 96 2.558 3.457 3.457
729 H HIS 97 HN HIS 97 -1.450 0.638 0.638
730 HA HIS 97 HA HIS 97 -4.015 0.150 0.150
731 1HB HIS 97 HB2 HIS 97 -3.069 -0.933 -0.933
732 2HB HIS 97 HB3 HIS 97 -3.192 -2.227 -2.227
733 HD1 HIS 97 HD1 HIS 97 -5.237 -3.215 -3.215
734 HD2 HIS 97 HD2 HIS 97 -5.862 0.615 0.615
735 HE1 HIS 97 HE1 HIS 97 -7.749 -2.786 -2.786
736 H ILE 98 HN ILE 98 -3.859 -0.879 -0.879
737 HA ILE 98 HA ILE 98 -1.448 -2.411 -2.411
738 HB ILE 98 HB ILE 98 -0.890 -1.248 -1.248
739 1HG1 ILE 98 HG12 ILE 98 -3.496 0.203 0.203
740 2HG1 ILE 98 HG13 ILE 98 -2.919 -0.657 -0.657
741 1HG2 ILE 98 HG21 ILE 98 -0.359 -0.269 -0.269
742 2HG2 ILE 98 HG22 ILE 98 -1.354 1.085 1.085
743 3HG2 ILE 98 HG23 ILE 98 0.104 0.598 0.598
744 1HD1 ILE 98 HD12 ILE 98 -1.126 1.554 1.554
745 2HD1 ILE 98 HD13 ILE 98 -2.770 2.092 2.092
746 3HD1 ILE 98 HD11 ILE 98 -1.808 1.165 1.165
747 H THR 99 HN THR 99 -1.774 -4.083 -4.083
748 HA THR 99 HA THR 99 -4.423 -4.223 -4.223
749 HB THR 99 HB THR 99 -4.195 -6.778 -6.778
750 HG1 THR 99 HG1 THR 99 -3.180 -5.176 -5.176
751 1HG2 THR 99 HG21 THR 99 -5.288 -4.312 -4.312
752 2HG2 THR 99 HG22 THR 99 -5.264 -5.854 -5.854
753 3HG2 THR 99 HG23 THR 99 -6.169 -5.722 -5.722
754 H LEU 100 HN LEU 100 -4.529 -6.106 -6.106
755 HA LEU 100 HA LEU 100 -2.414 -5.791 -5.791
756 1HB LEU 100 HB2 LEU 100 -3.684 -6.995 -6.995
757 2HB LEU 100 HB3 LEU 100 -4.913 -6.453 -6.453
758 HG LEU 100 HG LEU 100 -3.594 -9.142 -9.142
759 1HD1 LEU 100 HD11 LEU 100 -4.464 -8.920 -8.920
760 2HD1 LEU 100 HD12 LEU 100 -6.084 -8.658 -8.658
761 3HD1 LEU 100 HD13 LEU 100 -5.238 -10.199 -10.199
762 1HD2 LEU 100 HD21 LEU 100 -5.509 -7.685 -7.685
763 2HD2 LEU 100 HD22 LEU 100 -4.997 -9.373 -9.373
764 3HD2 LEU 100 HD23 LEU 100 -6.393 -9.002 -9.002
765 H CYS 101 HN CYS 101 -3.327 -8.527 -8.527
766 HA CYS 101 HA CYS 101 -1.204 -10.158 -10.158
767 1HB CYS 101 HB2 CYS 101 -3.337 -10.702 -10.702
768 2HB CYS 101 HB3 CYS 101 -2.439 -10.165 -10.165
769 H ASP 102 HN ASP 102 -1.331 -7.167 -7.167
770 HA ASP 102 HA ASP 102 0.991 -7.731 -7.731
771 1HB ASP 102 HB2 ASP 102 -1.097 -6.117 -6.117
772 2HB ASP 102 HB3 ASP 102 -0.136 -4.957 -4.957
773 H PHE 103 HN PHE 103 2.825 -5.918 -5.918
774 HA PHE 103 HA PHE 103 3.803 -5.956 -5.956
775 1HB PHE 103 HB2 PHE 103 5.338 -6.049 -6.049
776 2HB PHE 103 HB3 PHE 103 4.553 -4.700 -4.700
777 HD1 PHE 103 HD2 PHE 103 5.171 -4.356 -4.356
778 HD2 PHE 103 HD1 PHE 103 6.816 -3.728 -3.728
779 HE1 PHE 103 HE2 PHE 103 6.870 -2.789 -2.789
780 HE2 PHE 103 HE1 PHE 103 8.515 -2.160 -2.160
781 HZ PHE 103 HZ PHE 103 8.521 -1.710 -1.710
782 H ILE 104 HN ILE 104 3.178 -4.618 -4.618
783 HA ILE 104 HA ILE 104 3.167 -1.812 -1.812
784 HB ILE 104 HB ILE 104 0.712 -1.650 -1.650
785 1HG1 ILE 104 HG12 ILE 104 0.603 -4.310 -4.310
786 2HG1 ILE 104 HG13 ILE 104 0.412 -4.100 -4.100
787 1HG2 ILE 104 HG22 ILE 104 1.960 -1.219 -1.219
788 2HG2 ILE 104 HG23 ILE 104 0.679 -2.358 -2.358
789 3HG2 ILE 104 HG21 ILE 104 0.256 -0.836 -0.836
790 1HD1 ILE 104 HD11 ILE 104 -1.511 -2.488 -2.488
791 2HD1 ILE 104 HD12 ILE 104 -1.389 -2.998 -2.998
792 3HD1 ILE 104 HD13 ILE 104 -1.809 -4.186 -4.186
793 H VAL 105 HN VAL 105 3.605 -0.797 -0.797
794 HA VAL 105 HA VAL 105 2.913 -2.100 -2.100
795 HB VAL 105 HB VAL 105 5.586 -1.669 -1.669
796 1HG1 VAL 105 HG12 VAL 105 3.742 -3.914 -3.914
797 2HG1 VAL 105 HG13 VAL 105 5.398 -4.391 -4.391
798 3HG1 VAL 105 HG11 VAL 105 5.084 -3.626 -3.626
799 1HG2 VAL 105 HG22 VAL 105 5.267 -2.847 -2.847
800 2HG2 VAL 105 HG23 VAL 105 6.168 -1.384 -1.384
801 3HG2 VAL 105 HG21 VAL 105 6.747 -2.987 -2.987
802 HA PRO 106 HA PRO 106 2.961 2.035 2.035
803 1HB PRO 106 HB2 PRO 106 3.351 1.851 1.851
804 2HB PRO 106 HB3 PRO 106 1.801 1.561 1.561
805 1HG PRO 106 HG2 PRO 106 3.713 -0.399 -0.399
806 2HG PRO 106 HG3 PRO 106 2.014 -0.612 -0.612
807 1HD PRO 106 HD2 PRO 106 4.242 -1.556 -1.556
808 2HD PRO 106 HD3 PRO 106 2.547 -1.667 -1.667
809 H TRP 107 HN TRP 107 5.641 0.501 0.501
810 HA TRP 107 HA TRP 107 7.739 1.185 1.185
811 1HB TRP 107 HB2 TRP 107 6.747 3.361 3.361
812 2HB TRP 107 HB3 TRP 107 6.821 3.876 3.876
813 HD1 TRP 107 HD1 TRP 107 9.494 2.396 2.396
814 HE1 TRP 107 HE1 TRP 107 11.750 3.754 3.754
815 HE3 TRP 107 HE3 TRP 107 7.874 5.641 5.641
816 HZ2 TRP 107 HZ2 TRP 107 12.585 5.983 5.983
817 HZ3 TRP 107 HZ3 TRP 107 9.472 7.377 7.377
818 HH2 TRP 107 HH2 TRP 107 11.756 7.579 7.579
819 H ASP 108 HN ASP 108 6.421 2.822 2.822
820 HA ASP 108 HA ASP 108 8.727 2.281 2.281
821 1HB ASP 108 HB2 ASP 108 6.977 4.067 4.067
822 2HB ASP 108 HB3 ASP 108 5.900 2.802 2.802
823 H THR 109 HN THR 109 8.261 -0.175 -0.175
824 HA THR 109 HA THR 109 7.699 -1.810 -1.810
825 HB THR 109 HB THR 109 5.939 -3.115 -3.115
826 HG1 THR 109 HG1 THR 109 5.923 -0.337 -0.337
827 1HG2 THR 109 HG21 THR 109 5.426 -1.676 -1.676
828 2HG2 THR 109 HG22 THR 109 5.057 -0.358 -0.358
829 3HG2 THR 109 HG23 THR 109 4.104 -1.861 -1.861
830 H LEU 110 HN LEU 110 7.933 -1.930 -1.930
831 HA LEU 110 HA LEU 110 8.855 -3.805 -3.805
832 1HB LEU 110 HB2 LEU 110 11.113 -1.999 -1.999
833 2HB LEU 110 HB3 LEU 110 11.137 -3.087 -3.087
834 HG LEU 110 HG LEU 110 9.245 -0.740 -0.740
835 1HD1 LEU 110 HD13 LEU 110 11.742 -0.213 -0.213
836 2HD1 LEU 110 HD11 LEU 110 11.612 -0.863 -0.863
837 3HD1 LEU 110 HD12 LEU 110 10.635 0.544 0.544
838 1HD2 LEU 110 HD23 LEU 110 9.169 -3.002 -3.002
839 2HD2 LEU 110 HD21 LEU 110 8.133 -1.555 -1.555
840 3HD2 LEU 110 HD22 LEU 110 9.626 -1.595 -1.595
841 H SER 111 HN SER 111 11.874 -3.488 -3.488
842 HA SER 111 HA SER 111 11.921 -4.874 -4.874
843 1HB SER 111 HB2 SER 111 11.004 -6.760 -6.760
844 2HB SER 111 HB3 SER 111 12.160 -7.385 -7.385
845 HG SER 111 HG SER 111 9.594 -6.181 -6.181
846 H THR 112 HN THR 112 13.010 -5.224 -5.224
847 HA THR 112 HA THR 112 15.488 -4.303 -4.303
848 HB THR 112 HB THR 112 15.293 -6.923 -6.923
849 HG1 THR 112 HG1 THR 112 17.018 -4.557 -4.557
850 1HG2 THR 112 HG23 THR 112 17.588 -6.174 -6.174
851 2HG2 THR 112 HG21 THR 112 17.769 -7.306 -7.306
852 3HG2 THR 112 HG22 THR 112 16.672 -7.700 -7.700
853 H THR 113 HN THR 113 14.203 -7.578 -7.578
854 HA THR 113 HA THR 113 15.509 -7.702 -7.702
855 HB THR 113 HB THR 113 12.868 -8.893 -8.893
856 HG1 THR 113 HG1 THR 113 15.679 -9.716 -9.716
857 1HG2 THR 113 HG23 THR 113 14.674 -9.633 -9.633
858 2HG2 THR 113 HG21 THR 113 13.449 -10.725 -10.725
859 3HG2 THR 113 HG22 THR 113 12.950 -9.198 -9.198
860 H GLN 114 HN GLN 114 12.796 -5.730 -5.730
861 HA GLN 114 HA GLN 114 11.967 -5.337 -5.337
862 1HB GLN 114 HB2 GLN 114 10.989 -4.487 -4.487
863 2HB GLN 114 HB3 GLN 114 10.536 -3.489 -3.489
864 1HG GLN 114 HG2 GLN 114 8.792 -5.003 -5.003
865 2HG GLN 114 HG3 GLN 114 9.946 -5.882 -5.882
866 1HE2 GLN 114 HE22 GLN 114 10.900 -8.187 -8.187
867 2HE2 GLN 114 HE21 GLN 114 11.587 -7.178 -7.178
868 H LYS 115 HN LYS 115 13.897 -3.729 -3.729
869 HA LYS 115 HA LYS 115 14.029 -1.224 -1.224
870 1HB LYS 115 HB2 LYS 115 15.107 -2.493 -2.493
871 2HB LYS 115 HB3 LYS 115 16.260 -1.417 -1.417
872 1HG LYS 115 HG2 LYS 115 14.955 0.475 0.475
873 2HG LYS 115 HG3 LYS 115 13.445 -0.402 -0.402
874 1HD LYS 115 HD2 LYS 115 15.326 -0.368 -0.368
875 2HD LYS 115 HD3 LYS 115 13.700 0.279 0.279
876 1HE LYS 115 HE2 LYS 115 13.011 -2.203 -2.203
877 2HE LYS 115 HE3 LYS 115 14.573 -2.626 -2.626
878 1HZ LYS 115 HZ3 LYS 115 13.796 -1.185 -1.185
879 2HZ LYS 115 HZ1 LYS 115 12.295 -1.398 -1.398
880 3HZ LYS 115 HZ2 LYS 115 13.182 -2.691 -2.691
881 H LYS 116 HN LYS 116 15.957 -4.247 -4.247
882 HA LYS 116 HA LYS 116 18.106 -3.182 -3.182
883 1HB LYS 116 HB2 LYS 116 18.596 -5.579 -5.579
884 2HB LYS 116 HB3 LYS 116 18.386 -5.220 -5.220
885 1HG LYS 116 HG2 LYS 116 16.343 -6.347 -6.347
886 2HG LYS 116 HG3 LYS 116 15.934 -6.048 -6.048
887 1HD LYS 116 HD2 LYS 116 18.284 -7.627 -7.627
888 2HD LYS 116 HD3 LYS 116 17.339 -8.335 -8.335
889 1HE LYS 116 HE2 LYS 116 15.323 -8.281 -8.281
890 2HE LYS 116 HE3 LYS 116 16.464 -7.880 -7.880
891 1HZ LYS 116 HZ2 LYS 116 16.957 -10.188 -10.188
892 2HZ LYS 116 HZ3 LYS 116 15.919 -10.312 -10.312
893 3HZ LYS 116 HZ1 LYS 116 17.479 -9.910 -9.910
894 H SER 117 HN SER 117 14.812 -3.805 -3.805
895 HA SER 117 HA SER 117 15.509 -4.057 -4.057
896 1HB SER 117 HB2 SER 117 13.501 -5.215 -5.215
897 2HB SER 117 HB3 SER 117 12.638 -3.981 -3.981
898 HG SER 117 HG SER 117 13.162 -6.339 -6.339
899 H LEU 118 HN LEU 118 14.981 -1.654 -1.654
900 HA LEU 118 HA LEU 118 13.322 0.079 0.079
901 1HB LEU 118 HB2 LEU 118 14.923 0.354 0.354
902 2HB LEU 118 HB3 LEU 118 14.174 1.745 1.745
903 HG LEU 118 HG LEU 118 12.796 -0.697 -0.697
904 1HD1 LEU 118 HD13 LEU 118 13.486 1.878 1.878
905 2HD1 LEU 118 HD11 LEU 118 11.714 1.730 1.730
906 3HD1 LEU 118 HD12 LEU 118 12.670 0.511 0.511
907 1HD2 LEU 118 HD21 LEU 118 11.667 1.515 1.515
908 2HD2 LEU 118 HD22 LEU 118 11.573 -0.245 -0.245
909 3HD2 LEU 118 HD23 LEU 118 10.665 0.514 0.514
910 H ASN 119 HN ASN 119 16.779 -0.635 -0.635
911 HA ASN 119 HA ASN 119 17.370 1.706 1.706
912 1HB ASN 119 HB2 ASN 119 19.807 0.882 0.882
913 2HB ASN 119 HB3 ASN 119 18.921 1.505 1.505
914 1HD2 ASN 119 HD22 ASN 119 20.054 -2.426 -2.426
915 2HD2 ASN 119 HD21 ASN 119 20.242 -1.286 -1.286
916 H HIS 120 HN HIS 120 16.180 -1.252 -1.252
917 HA HIS 120 HA HIS 120 18.125 -2.078 -2.078
918 1HB HIS 120 HB2 HIS 120 17.213 -4.151 -4.151
919 2HB HIS 120 HB3 HIS 120 16.759 -3.567 -3.567
920 HD1 HIS 120 HD1 HIS 120 15.129 -5.814 -5.814
921 HD2 HIS 120 HD2 HIS 120 14.177 -1.738 -1.738
922 HE1 HIS 120 HE1 HIS 120 12.640 -5.697 -5.697
923 H ARG 121 HN ARG 121 16.722 0.490 0.490
924 HA ARG 121 HA ARG 121 15.489 1.617 1.617
925 1HB ARG 121 HB2 ARG 121 16.988 -0.370 -0.370
926 2HB ARG 121 HB3 ARG 121 15.694 0.470 0.470
927 1HG ARG 121 HG2 ARG 121 17.806 1.942 1.942
928 2HG ARG 121 HG3 ARG 121 18.023 1.582 1.582
929 1HD ARG 121 HD2 ARG 121 15.484 2.696 2.696
930 2HD ARG 121 HD3 ARG 121 16.243 3.588 3.588
931 HE ARG 121 HE ARG 121 16.958 3.698 3.698
932 1HH1 ARG 121 HH22 ARG 121 17.994 4.394 4.394
933 2HH1 ARG 121 HH21 ARG 121 19.154 5.588 5.588
934 1HH2 ARG 121 HH12 ARG 121 18.487 5.272 5.272
935 2HH2 ARG 121 HH11 ARG 121 19.436 6.091 6.091
936 H TYR 122 HN TYR 122 14.958 -1.297 -1.297
937 HA TYR 122 HA TYR 122 12.313 -1.709 -1.709
938 1HB TYR 122 HB2 TYR 122 11.204 -1.042 -1.042
939 2HB TYR 122 HB3 TYR 122 12.440 0.189 0.189
940 HD1 TYR 122 HD1 TYR 122 14.836 -0.666 -0.666
941 HD2 TYR 122 HD2 TYR 122 10.915 -1.850 -1.850
942 HE1 TYR 122 HE1 TYR 122 15.731 -1.252 -1.252
943 HE2 TYR 122 HE2 TYR 122 11.823 -2.432 -2.432
944 HH TYR 122 HH TYR 122 14.928 -1.468 -1.468
945 H GLN 123 HN GLN 123 12.854 -3.847 -3.847
946 HA GLN 123 HA GLN 123 13.266 -5.956 -5.956
947 1HB GLN 123 HB2 GLN 123 11.256 -5.954 -5.954
948 2HB GLN 123 HB3 GLN 123 12.116 -5.329 -5.329
949 1HG GLN 123 HG2 GLN 123 13.521 -7.688 -7.688
950 2HG GLN 123 HG3 GLN 123 11.820 -8.095 -8.095
951 1HE2 GLN 123 HE22 GLN 123 11.157 -8.103 -8.103
952 2HE2 GLN 123 HE21 GLN 123 10.566 -8.215 -8.215
953 H MET 124 HN MET 124 15.614 -4.951 -4.951
954 HA MET 124 HA MET 124 17.115 -4.907 -4.907
955 1HB MET 124 HB2 MET 124 17.498 -4.589 -4.589
956 2HB MET 124 HB3 MET 124 18.850 -5.449 -5.449
957 1HG MET 124 HG2 MET 124 18.062 -3.174 -3.174
958 2HG MET 124 HG3 MET 124 18.411 -2.650 -2.650
959 1HE MET 124 HE3 MET 124 19.854 -1.663 -1.663
960 2HE MET 124 HE1 MET 124 21.525 -2.226 -2.226
961 3HE MET 124 HE2 MET 124 20.175 -3.078 -3.078
962 H GLY 125 HN GLY 125 15.926 -7.173 -7.173
963 1HA GLY 125 HA1 GLY 125 16.138 -9.380 -9.380
964 2HA GLY 125 HA2 GLY 125 17.865 -9.079 -9.079
965 H CYS 126 HN CYS 126 15.906 -8.400 -8.400
966 HA CYS 126 HA CYS 126 17.505 -9.898 -9.898
967 1HB CYS 126 HB2 CYS 126 16.139 -9.234 -9.234
968 2HB CYS 126 HB3 CYS 126 15.698 -8.059 -8.059
969 H GLU 127 HN GLU 127 15.846 -11.577 -11.577
970 HA GLU 127 HA GLU 127 14.255 -13.298 -13.298
971 1HB GLU 127 HB2 GLU 127 16.382 -13.828 -13.828
972 2HB GLU 127 HB3 GLU 127 17.107 -14.346 -14.346
973 1HG GLU 127 HG2 GLU 127 15.575 -16.191 -16.191
974 2HG GLU 127 HG3 GLU 127 14.496 -15.554 -15.554
Start of MODEL 41
1 H CYS 1 HN CYS 1 -11.087 -8.774 -8.774
2 HA CYS 1 HA CYS 1 -10.969 -11.045 -11.045
3 1HB CYS 1 HB2 CYS 1 -8.530 -11.938 -11.938
4 2HB CYS 1 HB3 CYS 1 -9.496 -11.300 -11.300
5 H SER 2 HN SER 2 -7.658 -11.120 -11.120
6 HA SER 2 HA SER 2 -7.535 -10.386 -10.386
7 1HB SER 2 HB2 SER 2 -8.291 -12.641 -12.641
8 2HB SER 2 HB3 SER 2 -9.407 -11.315 -11.315
9 HG SER 2 HG SER 2 -9.594 -13.857 -13.857
10 H CYS 3 HN CYS 3 -5.905 -11.157 -11.157
11 HA CYS 3 HA CYS 3 -4.753 -13.679 -13.679
12 1HB CYS 3 HB2 CYS 3 -3.197 -11.349 -11.349
13 2HB CYS 3 HB3 CYS 3 -3.184 -13.025 -13.025
14 H SER 4 HN SER 4 -1.978 -13.263 -13.263
15 HA SER 4 HA SER 4 -1.797 -12.076 -12.076
16 1HB SER 4 HB2 SER 4 -0.199 -13.877 -13.877
17 2HB SER 4 HB3 SER 4 -1.782 -14.517 -14.517
18 HG SER 4 HG SER 4 0.341 -14.354 -14.354
19 HA PRO 5 HA PRO 5 1.398 -9.934 -9.934
20 1HB PRO 5 HB2 PRO 5 1.969 -8.113 -8.113
21 2HB PRO 5 HB3 PRO 5 0.687 -7.889 -7.889
22 1HG PRO 5 HG2 PRO 5 0.479 -8.632 -8.632
23 2HG PRO 5 HG3 PRO 5 -0.762 -7.996 -7.996
24 1HD PRO 5 HD2 PRO 5 -0.461 -10.719 -10.719
25 2HD PRO 5 HD3 PRO 5 -1.629 -10.103 -10.103
26 H VAL 6 HN VAL 6 2.747 -11.797 -11.797
27 HA VAL 6 HA VAL 6 4.610 -11.926 -11.926
28 HB VAL 6 HB VAL 6 3.331 -13.956 -13.956
29 1HG1 VAL 6 HG13 VAL 6 4.261 -13.186 -13.186
30 2HG1 VAL 6 HG11 VAL 6 4.909 -14.798 -14.798
31 3HG1 VAL 6 HG12 VAL 6 3.155 -14.506 -14.506
32 1HG2 VAL 6 HG23 VAL 6 6.249 -13.712 -13.712
33 2HG2 VAL 6 HG21 VAL 6 5.087 -14.764 -14.764
34 3HG2 VAL 6 HG22 VAL 6 5.722 -15.239 -15.239
35 H HIS 7 HN HIS 7 6.239 -13.470 -13.470
36 HA HIS 7 HA HIS 7 8.224 -12.863 -12.863
37 1HB HIS 7 HB2 HIS 7 7.705 -11.334 -11.334
38 2HB HIS 7 HB3 HIS 7 7.215 -13.014 -13.014
39 HD1 HIS 7 HD1 HIS 7 4.873 -13.354 -13.354
40 HD2 HIS 7 HD2 HIS 7 5.388 -9.619 -9.619
41 HE1 HIS 7 HE1 HIS 7 2.607 -12.183 -12.183
42 HA PRO 8 HA PRO 8 8.951 -8.991 -8.991
43 1HB PRO 8 HB2 PRO 8 11.274 -9.735 -9.735
44 2HB PRO 8 HB3 PRO 8 9.696 -9.915 -9.915
45 1HG PRO 8 HG2 PRO 8 11.432 -11.991 -11.991
46 2HG PRO 8 HG3 PRO 8 10.084 -12.187 -12.187
47 1HD PRO 8 HD2 PRO 8 10.080 -12.686 -12.686
48 2HD PRO 8 HD3 PRO 8 8.703 -12.771 -12.771
49 H GLN 9 HN GLN 9 10.123 -10.454 -10.454
50 HA GLN 9 HA GLN 9 11.805 -8.151 -8.151
51 1HB GLN 9 HB2 GLN 9 13.456 -9.776 -9.776
52 2HB GLN 9 HB3 GLN 9 12.652 -11.057 -11.057
53 1HG GLN 9 HG2 GLN 9 14.567 -10.340 -10.340
54 2HG GLN 9 HG3 GLN 9 13.121 -9.814 -9.814
55 1HE2 GLN 9 HE22 GLN 9 14.459 -6.716 -6.716
56 2HE2 GLN 9 HE21 GLN 9 13.804 -8.185 -8.185
57 H GLN 10 HN GLN 10 10.058 -11.060 -11.060
58 HA GLN 10 HA GLN 10 10.207 -10.359 -10.359
59 1HB GLN 10 HB2 GLN 10 9.334 -12.432 -12.432
60 2HB GLN 10 HB3 GLN 10 9.085 -12.453 -12.453
61 1HG GLN 10 HG2 GLN 10 6.892 -12.751 -12.751
62 2HG GLN 10 HG3 GLN 10 6.929 -11.009 -11.009
63 1HE2 GLN 10 HE22 GLN 10 5.397 -11.676 -11.676
64 2HE2 GLN 10 HE21 GLN 10 5.061 -11.935 -11.935
65 H ALA 11 HN ALA 11 8.687 -8.765 -8.765
66 HA ALA 11 HA ALA 11 6.322 -7.965 -7.965
67 1HB ALA 11 HB1 ALA 11 7.402 -7.820 -7.820
68 2HB ALA 11 HB2 ALA 11 6.661 -6.286 -6.286
69 3HB ALA 11 HB3 ALA 11 5.711 -7.792 -7.792
70 H PHE 12 HN PHE 12 9.613 -6.760 -6.760
71 HA PHE 12 HA PHE 12 8.987 -4.211 -4.211
72 1HB PHE 12 HB2 PHE 12 11.499 -5.517 -5.517
73 2HB PHE 12 HB3 PHE 12 11.471 -3.865 -3.865
74 HD1 PHE 12 HD1 PHE 12 9.125 -5.859 -5.859
75 HD2 PHE 12 HD2 PHE 12 11.549 -2.395 -2.395
76 HE1 PHE 12 HE1 PHE 12 8.340 -5.077 -5.077
77 HE2 PHE 12 HE2 PHE 12 10.765 -1.612 -1.612
78 HZ PHE 12 HZ PHE 12 9.170 -2.963 -2.963
79 H CYS 13 HN CYS 13 9.378 -7.163 -7.163
80 HA CYS 13 HA CYS 13 11.137 -6.180 -6.180
81 1HB CYS 13 HB2 CYS 13 10.892 -8.847 -8.847
82 2HB CYS 13 HB3 CYS 13 11.182 -8.823 -8.823
83 H ASN 14 HN ASN 14 7.960 -6.951 -6.951
84 HA ASN 14 HA ASN 14 7.164 -7.743 -7.743
85 1HB ASN 14 HB2 ASN 14 6.304 -8.506 -8.506
86 2HB ASN 14 HB3 ASN 14 5.012 -7.472 -7.472
87 1HD2 ASN 14 HD21 ASN 14 6.837 -10.395 -10.395
88 2HD2 ASN 14 HD22 ASN 14 5.773 -11.162 -11.162
89 H ALA 15 HN ALA 15 6.780 -5.244 -5.244
90 HA ALA 15 HA ALA 15 4.715 -3.769 -3.769
91 1HB ALA 15 HB3 ALA 15 7.170 -2.888 -2.888
92 2HB ALA 15 HB1 ALA 15 5.707 -1.903 -1.903
93 3HB ALA 15 HB2 ALA 15 5.612 -3.424 -3.424
94 H ASP 16 HN ASP 16 5.130 -1.368 -1.368
95 HA ASP 16 HA ASP 16 7.337 -1.328 -1.328
96 1HB ASP 16 HB2 ASP 16 4.436 -1.548 -1.548
97 2HB ASP 16 HB3 ASP 16 5.396 -0.414 -0.414
98 H VAL 17 HN VAL 17 5.839 0.060 0.060
99 HA VAL 17 HA VAL 17 6.633 2.691 2.691
100 HB VAL 17 HB VAL 17 4.639 2.839 2.839
101 1HG1 VAL 17 HG13 VAL 17 3.400 1.334 1.334
102 2HG1 VAL 17 HG11 VAL 17 2.388 2.378 2.378
103 3HG1 VAL 17 HG12 VAL 17 3.295 1.029 1.029
104 1HG2 VAL 17 HG21 VAL 17 5.176 4.681 4.681
105 2HG2 VAL 17 HG22 VAL 17 3.521 4.645 4.645
106 3HG2 VAL 17 HG23 VAL 17 3.845 4.017 4.017
107 H VAL 18 HN VAL 18 7.881 2.433 2.433
108 HA VAL 18 HA VAL 18 6.363 1.968 1.968
109 HB VAL 18 HB VAL 18 9.311 2.218 2.218
110 1HG1 VAL 18 HG11 VAL 18 7.164 0.896 0.896
111 2HG1 VAL 18 HG12 VAL 18 8.547 -0.179 -0.179
112 3HG1 VAL 18 HG13 VAL 18 8.796 1.371 1.371
113 1HG2 VAL 18 HG22 VAL 18 7.873 0.171 0.171
114 2HG2 VAL 18 HG23 VAL 18 9.417 1.005 1.005
115 3HG2 VAL 18 HG21 VAL 18 9.333 -0.307 -0.307
116 H ILE 19 HN ILE 19 5.718 3.691 3.691
117 HA ILE 19 HA ILE 19 7.474 6.003 6.003
118 HB ILE 19 HB ILE 19 5.808 7.575 7.575
119 1HG1 ILE 19 HG12 ILE 19 3.953 5.268 5.268
120 2HG1 ILE 19 HG13 ILE 19 3.746 6.948 6.948
121 1HG2 ILE 19 HG23 ILE 19 7.095 6.277 6.277
122 2HG2 ILE 19 HG21 ILE 19 5.547 5.459 5.459
123 3HG2 ILE 19 HG22 ILE 19 5.675 7.226 7.226
124 1HD1 ILE 19 HD12 ILE 19 3.745 7.404 7.404
125 2HD1 ILE 19 HD13 ILE 19 3.384 5.665 5.665
126 3HD1 ILE 19 HD11 ILE 19 2.281 6.744 6.744
127 H ARG 20 HN ARG 20 7.697 6.644 6.644
128 HA ARG 20 HA ARG 20 6.140 5.321 5.321
129 1HB ARG 20 HB2 ARG 20 8.073 7.657 7.657
130 2HB ARG 20 HB3 ARG 20 7.567 6.502 6.502
131 1HG ARG 20 HG2 ARG 20 8.901 4.785 4.785
132 2HG ARG 20 HG3 ARG 20 8.822 5.392 5.392
133 1HD ARG 20 HD2 ARG 20 11.074 5.644 5.644
134 2HD ARG 20 HD3 ARG 20 10.522 6.989 6.989
135 HE ARG 20 HE ARG 20 9.358 7.601 7.601
136 1HH1 ARG 20 HH22 ARG 20 12.633 6.547 6.547
137 2HH1 ARG 20 HH21 ARG 20 13.341 7.383 7.383
138 1HH2 ARG 20 HH12 ARG 20 10.292 8.705 8.705
139 2HH2 ARG 20 HH11 ARG 20 12.000 8.619 8.619
140 H THR 21 HN THR 21 4.434 6.853 6.853
141 HA THR 21 HA THR 21 3.890 9.428 9.428
142 HB THR 21 HB THR 21 3.122 8.686 8.686
143 HG1 THR 21 HG1 THR 21 1.287 9.829 9.829
144 1HG2 THR 21 HG21 THR 21 2.726 6.203 6.203
145 2HG2 THR 21 HG22 THR 21 1.082 6.835 6.835
146 3HG2 THR 21 HG23 THR 21 1.777 6.806 6.806
147 H LYS 22 HN LYS 22 1.520 9.901 9.901
148 HA LYS 22 HA LYS 22 1.050 8.056 8.056
149 1HB LYS 22 HB2 LYS 22 0.786 9.947 9.947
150 2HB LYS 22 HB3 LYS 22 2.403 9.898 9.898
151 1HG LYS 22 HG2 LYS 22 1.928 11.700 11.700
152 2HG LYS 22 HG3 LYS 22 0.203 11.597 11.597
153 1HD LYS 22 HD2 LYS 22 2.368 12.661 12.661
154 2HD LYS 22 HD3 LYS 22 0.933 13.485 13.485
155 1HE LYS 22 HE2 LYS 22 -0.402 11.624 11.624
156 2HE LYS 22 HE3 LYS 22 1.117 11.283 11.283
157 1HZ LYS 22 HZ1 LYS 22 1.053 13.877 13.877
158 2HZ LYS 22 HZ2 LYS 22 -0.558 13.624 13.624
159 3HZ LYS 22 HZ3 LYS 22 0.322 12.875 12.875
160 H ALA 23 HN ALA 23 -0.999 7.320 7.320
161 HA ALA 23 HA ALA 23 -2.917 8.808 8.808
162 1HB ALA 23 HB3 ALA 23 -2.406 6.278 6.278
163 2HB ALA 23 HB1 ALA 23 -3.322 6.110 6.110
164 3HB ALA 23 HB2 ALA 23 -4.114 6.771 6.771
165 H VAL 24 HN VAL 24 -3.771 10.495 10.495
166 HA VAL 24 HA VAL 24 -4.609 9.892 9.892
167 HB VAL 24 HB VAL 24 -4.852 12.453 12.453
168 1HG1 VAL 24 HG12 VAL 24 -2.384 10.792 10.792
169 2HG1 VAL 24 HG13 VAL 24 -2.163 12.558 12.558
170 3HG1 VAL 24 HG11 VAL 24 -3.139 11.801 11.801
171 1HG2 VAL 24 HG22 VAL 24 -4.485 12.375 12.375
172 2HG2 VAL 24 HG23 VAL 24 -3.938 13.752 13.752
173 3HG2 VAL 24 HG21 VAL 24 -2.777 12.501 12.501
174 H SER 25 HN SER 25 -5.683 10.872 10.872
175 HA SER 25 HA SER 25 -8.410 10.779 10.779
176 1HB SER 25 HB2 SER 25 -8.144 12.987 12.987
177 2HB SER 25 HB3 SER 25 -7.122 12.499 12.499
178 HG SER 25 HG SER 25 -9.023 11.482 11.482
179 H GLU 26 HN GLU 26 -10.053 9.992 9.992
180 HA GLU 26 HA GLU 26 -8.855 8.317 8.317
181 1HB GLU 26 HB2 GLU 26 -10.483 7.279 7.279
182 2HB GLU 26 HB3 GLU 26 -10.464 6.416 6.416
183 1HG GLU 26 HG2 GLU 26 -8.552 5.418 5.418
184 2HG GLU 26 HG3 GLU 26 -7.751 6.952 6.952
185 H LYS 27 HN LYS 27 -11.063 6.969 6.969
186 HA LYS 27 HA LYS 27 -13.307 8.772 8.772
187 1HB LYS 27 HB2 LYS 27 -11.776 9.795 9.795
188 2HB LYS 27 HB3 LYS 27 -11.641 8.271 8.271
189 1HG LYS 27 HG2 LYS 27 -13.793 8.402 8.402
190 2HG LYS 27 HG3 LYS 27 -14.425 9.286 9.286
191 1HD LYS 27 HD2 LYS 27 -14.184 10.605 10.605
192 2HD LYS 27 HD3 LYS 27 -13.536 11.366 11.366
193 1HE LYS 27 HE2 LYS 27 -11.261 10.732 10.732
194 2HE LYS 27 HE3 LYS 27 -11.813 9.665 9.665
195 1HZ LYS 27 HZ3 LYS 27 -12.800 12.285 12.285
196 2HZ LYS 27 HZ1 LYS 27 -11.169 12.282 12.282
197 3HZ LYS 27 HZ2 LYS 27 -11.932 11.363 11.363
198 H GLU 28 HN GLU 28 -14.962 7.398 7.398
199 HA GLU 28 HA GLU 28 -14.651 4.652 4.652
200 1HB GLU 28 HB2 GLU 28 -15.901 5.345 5.345
201 2HB GLU 28 HB3 GLU 28 -17.023 6.277 6.277
202 1HG GLU 28 HG2 GLU 28 -17.078 3.688 3.688
203 2HG GLU 28 HG3 GLU 28 -17.024 3.402 3.402
204 H VAL 29 HN VAL 29 -14.409 4.422 4.422
205 HA VAL 29 HA VAL 29 -16.605 5.455 5.455
206 HB VAL 29 HB VAL 29 -15.091 4.854 4.854
207 1HG1 VAL 29 HG12 VAL 29 -15.153 7.101 7.101
208 2HG1 VAL 29 HG13 VAL 29 -13.471 6.627 6.627
209 3HG1 VAL 29 HG11 VAL 29 -14.009 6.868 6.868
210 1HG2 VAL 29 HG21 VAL 29 -13.727 3.382 3.382
211 2HG2 VAL 29 HG22 VAL 29 -13.240 3.637 3.637
212 3HG2 VAL 29 HG23 VAL 29 -12.643 4.729 4.729
213 H ASP 30 HN ASP 30 -18.195 3.912 3.912
214 HA ASP 30 HA ASP 30 -17.921 1.268 1.268
215 1HB ASP 30 HB2 ASP 30 -20.305 2.441 2.441
216 2HB ASP 30 HB3 ASP 30 -20.293 1.098 1.098
217 H SER 31 HN SER 31 -18.032 -0.570 -0.570
218 HA SER 31 HA SER 31 -17.929 0.150 0.150
219 1HB SER 31 HB2 SER 31 -15.695 -0.405 -0.405
220 2HB SER 31 HB3 SER 31 -16.035 -1.499 -1.499
221 HG SER 31 HG SER 31 -16.066 -1.977 -1.977
222 H GLY 32 HN GLY 32 -20.226 -0.685 -0.685
223 1HA GLY 32 HA1 GLY 32 -21.968 -2.099 -2.099
224 2HA GLY 32 HA2 GLY 32 -21.329 -2.653 -2.653
225 H ASN 33 HN ASN 33 -22.368 -4.733 -4.733
226 HA ASN 33 HA ASN 33 -20.810 -5.946 -5.946
227 1HB ASN 33 HB2 ASN 33 -22.761 -7.481 -7.481
228 2HB ASN 33 HB3 ASN 33 -22.454 -7.658 -7.658
229 1HD2 ASN 33 HD22 ASN 33 -24.591 -5.069 -5.069
230 2HD2 ASN 33 HD21 ASN 33 -23.195 -6.027 -6.027
231 H ASP 34 HN ASP 34 -19.942 -8.296 -8.296
232 HA ASP 34 HA ASP 34 -18.477 -8.165 -8.165
233 1HB ASP 34 HB2 ASP 34 -17.590 -8.706 -8.706
234 2HB ASP 34 HB3 ASP 34 -18.111 -10.331 -10.331
235 H ILE 35 HN ILE 35 -17.927 -11.031 -11.031
236 HA ILE 35 HA ILE 35 -20.381 -11.861 -11.861
237 HB ILE 35 HB ILE 35 -17.677 -13.188 -13.188
238 1HG1 ILE 35 HG12 ILE 35 -17.567 -12.500 -12.500
239 2HG1 ILE 35 HG13 ILE 35 -18.926 -11.443 -11.443
240 1HG2 ILE 35 HG22 ILE 35 -20.252 -14.087 -14.087
241 2HG2 ILE 35 HG23 ILE 35 -18.822 -14.298 -14.298
242 3HG2 ILE 35 HG21 ILE 35 -18.856 -15.023 -15.023
243 1HD1 ILE 35 HD13 ILE 35 -16.577 -11.308 -11.308
244 2HD1 ILE 35 HD11 ILE 35 -16.402 -10.587 -10.587
245 3HD1 ILE 35 HD12 ILE 35 -17.685 -10.016 -10.016
246 H TYR 36 HN TYR 36 -19.439 -11.757 -11.757
247 HA TYR 36 HA TYR 36 -20.596 -14.384 -14.384
248 1HB TYR 36 HB2 TYR 36 -18.238 -13.234 -13.234
249 2HB TYR 36 HB3 TYR 36 -19.281 -12.466 -12.466
250 HD1 TYR 36 HD2 TYR 36 -20.433 -13.812 -13.812
251 HD2 TYR 36 HD1 TYR 36 -17.715 -15.600 -15.600
252 HE1 TYR 36 HE2 TYR 36 -20.277 -15.880 -15.880
253 HE2 TYR 36 HE1 TYR 36 -17.567 -17.661 -17.661
254 HH TYR 36 HH TYR 36 -19.752 -18.269 -18.269
255 H GLY 37 HN GLY 37 -21.482 -11.170 -11.170
256 1HA GLY 37 HA1 GLY 37 -23.569 -10.317 -10.317
257 2HA GLY 37 HA2 GLY 37 -23.831 -11.556 -11.556
258 H ASN 38 HN ASN 38 -20.764 -10.615 -10.615
259 HA ASN 38 HA ASN 38 -21.681 -9.016 -9.016
260 1HB ASN 38 HB2 ASN 38 -19.112 -8.906 -8.906
261 2HB ASN 38 HB3 ASN 38 -19.874 -10.481 -10.481
262 1HD2 ASN 38 HD22 ASN 38 -16.768 -10.852 -10.852
263 2HD2 ASN 38 HD21 ASN 38 -17.235 -10.392 -10.392
264 HA PRO 39 HA PRO 39 -20.693 -5.158 -5.158
265 1HB PRO 39 HB2 PRO 39 -20.168 -3.596 -3.596
266 2HB PRO 39 HB3 PRO 39 -21.791 -3.985 -3.985
267 1HG PRO 39 HG2 PRO 39 -20.287 -5.067 -5.067
268 2HG PRO 39 HG3 PRO 39 -22.012 -5.110 -5.110
269 1HD PRO 39 HD2 PRO 39 -20.158 -7.275 -7.275
270 2HD PRO 39 HD3 PRO 39 -21.862 -7.284 -7.284
271 H ILE 40 HN ILE 40 -19.064 -4.415 -4.415
272 HA ILE 40 HA ILE 40 -16.466 -5.328 -5.328
273 HB ILE 40 HB ILE 40 -17.490 -3.453 -3.453
274 1HG1 ILE 40 HG12 ILE 40 -16.769 -6.395 -6.395
275 2HG1 ILE 40 HG13 ILE 40 -18.351 -5.688 -5.688
276 1HG2 ILE 40 HG22 ILE 40 -15.159 -2.933 -2.933
277 2HG2 ILE 40 HG23 ILE 40 -14.724 -4.651 -4.651
278 3HG2 ILE 40 HG21 ILE 40 -15.314 -3.739 -3.739
279 1HD1 ILE 40 HD12 ILE 40 -17.057 -4.365 -4.365
280 2HD1 ILE 40 HD13 ILE 40 -15.981 -5.779 -5.779
281 3HD1 ILE 40 HD11 ILE 40 -17.709 -6.001 -6.001
282 H LYS 41 HN LYS 41 -16.880 -1.952 -1.952
283 HA LYS 41 HA LYS 41 -16.381 -0.026 -0.026
284 1HB LYS 41 HB2 LYS 41 -17.803 -0.880 -0.880
285 2HB LYS 41 HB3 LYS 41 -16.345 -1.467 -1.467
286 1HG LYS 41 HG2 LYS 41 -15.399 0.851 0.851
287 2HG LYS 41 HG3 LYS 41 -16.858 1.439 1.439
288 1HD LYS 41 HD2 LYS 41 -17.189 -0.125 -0.125
289 2HD LYS 41 HD3 LYS 41 -16.528 1.493 1.493
290 1HE LYS 41 HE2 LYS 41 -18.532 2.255 2.255
291 2HE LYS 41 HE3 LYS 41 -19.221 0.673 0.673
292 1HZ LYS 41 HZ2 LYS 41 -18.282 2.301 2.301
293 2HZ LYS 41 HZ3 LYS 41 -19.748 2.592 2.592
294 3HZ LYS 41 HZ1 LYS 41 -19.421 1.130 1.130
295 H ARG 42 HN ARG 42 -14.440 0.941 0.941
296 HA ARG 42 HA ARG 42 -12.145 -0.515 -0.515
297 1HB ARG 42 HB2 ARG 42 -11.147 0.858 0.858
298 2HB ARG 42 HB3 ARG 42 -11.516 -0.855 -0.855
299 1HG ARG 42 HG2 ARG 42 -13.916 -0.268 -0.268
300 2HG ARG 42 HG3 ARG 42 -13.383 1.385 1.385
301 1HD ARG 42 HD2 ARG 42 -11.505 0.262 0.262
302 2HD ARG 42 HD3 ARG 42 -12.622 -1.088 -1.088
303 HE ARG 42 HE ARG 42 -14.260 1.047 1.047
304 1HH1 ARG 42 HH22 ARG 42 -11.180 -0.039 -0.039
305 2HH1 ARG 42 HH21 ARG 42 -11.482 0.598 0.598
306 1HH2 ARG 42 HH12 ARG 42 -14.659 1.887 1.887
307 2HH2 ARG 42 HH11 ARG 42 -13.475 1.701 1.701
308 H ILE 43 HN ILE 43 -12.697 1.131 1.131
309 HA ILE 43 HA ILE 43 -12.721 3.790 3.790
310 HB ILE 43 HB ILE 43 -11.897 1.807 1.807
311 1HG1 ILE 43 HG12 ILE 43 -13.011 3.536 3.536
312 2HG1 ILE 43 HG13 ILE 43 -13.334 4.466 4.466
313 1HG2 ILE 43 HG22 ILE 43 -10.508 4.495 4.495
314 2HG2 ILE 43 HG23 ILE 43 -10.684 3.428 3.428
315 3HG2 ILE 43 HG21 ILE 43 -9.765 2.876 2.876
316 1HD1 ILE 43 HD13 ILE 43 -14.064 1.667 1.667
317 2HD1 ILE 43 HD11 ILE 43 -14.877 2.331 2.331
318 3HD1 ILE 43 HD12 ILE 43 -15.074 3.126 3.126
319 H GLN 44 HN GLN 44 -11.272 5.538 5.538
320 HA GLN 44 HA GLN 44 -8.956 4.853 4.853
321 1HB GLN 44 HB2 GLN 44 -10.255 7.509 7.509
322 2HB GLN 44 HB3 GLN 44 -8.785 7.400 7.400
323 1HG GLN 44 HG2 GLN 44 -11.564 6.409 6.409
324 2HG GLN 44 HG3 GLN 44 -10.547 7.525 7.525
325 1HE2 GLN 44 HE22 GLN 44 -10.031 3.435 3.435
326 2HE2 GLN 44 HE21 GLN 44 -10.958 4.185 4.185
327 H TYR 45 HN TYR 45 -7.038 6.702 6.702
328 HA TYR 45 HA TYR 45 -6.571 6.606 6.606
329 1HB TYR 45 HB2 TYR 45 -5.178 5.253 5.253
330 2HB TYR 45 HB3 TYR 45 -4.087 6.116 6.116
331 HD1 TYR 45 HD2 TYR 45 -5.740 5.622 5.622
332 HD2 TYR 45 HD1 TYR 45 -4.400 3.042 3.042
333 HE1 TYR 45 HE2 TYR 45 -5.753 3.651 3.651
334 HE2 TYR 45 HE1 TYR 45 -4.418 1.080 1.080
335 HH TYR 45 HH TYR 45 -4.929 0.391 0.391
336 H GLU 46 HN GLU 46 -7.355 8.936 8.936
337 HA GLU 46 HA GLU 46 -5.675 10.531 10.531
338 1HB GLU 46 HB2 GLU 46 -8.107 10.890 10.890
339 2HB GLU 46 HB3 GLU 46 -7.189 11.694 11.694
340 1HG GLU 46 HG2 GLU 46 -6.182 13.229 13.229
341 2HG GLU 46 HG3 GLU 46 -6.888 12.348 12.348
342 H ILE 47 HN ILE 47 -3.549 9.617 9.617
343 HA ILE 47 HA ILE 47 -2.735 10.217 10.217
344 HB ILE 47 HB ILE 47 -0.503 9.625 9.625
345 1HG1 ILE 47 HG12 ILE 47 -1.853 9.833 9.833
346 2HG1 ILE 47 HG13 ILE 47 -0.309 10.479 10.479
347 1HG2 ILE 47 HG23 ILE 47 -2.839 7.987 7.987
348 2HG2 ILE 47 HG21 ILE 47 -1.773 7.404 7.404
349 3HG2 ILE 47 HG22 ILE 47 -1.152 7.549 7.549
350 1HD1 ILE 47 HD12 ILE 47 -0.034 7.700 7.700
351 2HD1 ILE 47 HD13 ILE 47 -0.923 7.862 7.862
352 3HD1 ILE 47 HD11 ILE 47 0.653 8.663 8.663
353 H LYS 48 HN LYS 48 -0.321 11.510 11.510
354 HA LYS 48 HA LYS 48 -0.993 14.113 14.113
355 1HB LYS 48 HB2 LYS 48 -1.280 13.733 13.733
356 2HB LYS 48 HB3 LYS 48 0.458 13.961 13.961
357 1HG LYS 48 HG2 LYS 48 0.269 16.151 16.151
358 2HG LYS 48 HG3 LYS 48 -1.424 15.902 15.902
359 1HD LYS 48 HD2 LYS 48 -0.801 17.352 17.352
360 2HD LYS 48 HD3 LYS 48 -2.116 16.201 16.201
361 1HE LYS 48 HE2 LYS 48 -0.813 14.651 14.651
362 2HE LYS 48 HE3 LYS 48 0.705 15.326 15.326
363 1HZ LYS 48 HZ2 LYS 48 -0.891 17.219 17.219
364 2HZ LYS 48 HZ3 LYS 48 -0.516 15.927 15.927
365 3HZ LYS 48 HZ1 LYS 48 0.672 16.810 16.810
366 H GLN 49 HN GLN 49 0.975 11.458 11.458
367 HA GLN 49 HA GLN 49 2.959 11.048 11.048
368 1HB GLN 49 HB2 GLN 49 2.645 12.092 12.092
369 2HB GLN 49 HB3 GLN 49 2.262 13.641 13.641
370 1HG GLN 49 HG2 GLN 49 4.474 14.317 14.317
371 2HG GLN 49 HG3 GLN 49 5.072 12.703 12.703
372 1HE2 GLN 49 HE22 GLN 49 5.159 11.622 11.622
373 2HE2 GLN 49 HE21 GLN 49 4.793 11.097 11.097
374 H ILE 50 HN ILE 50 4.860 10.853 10.853
375 HA ILE 50 HA ILE 50 5.872 13.263 13.263
376 HB ILE 50 HB ILE 50 5.690 12.413 12.413
377 1HG1 ILE 50 HG12 ILE 50 6.860 9.877 9.877
378 2HG1 ILE 50 HG13 ILE 50 7.667 11.100 11.100
379 1HG2 ILE 50 HG21 ILE 50 3.566 11.523 11.523
380 2HG2 ILE 50 HG22 ILE 50 4.267 9.944 9.944
381 3HG2 ILE 50 HG23 ILE 50 3.859 11.111 11.111
382 1HD1 ILE 50 HD11 ILE 50 5.287 10.006 10.006
383 2HD1 ILE 50 HD12 ILE 50 6.506 8.764 8.764
384 3HD1 ILE 50 HD13 ILE 50 6.953 10.186 10.186
385 H LYS 51 HN LYS 51 6.372 10.163 10.163
386 HA LYS 51 HA LYS 51 8.992 11.043 11.043
387 1HB LYS 51 HB2 LYS 51 8.811 9.476 9.476
388 2HB LYS 51 HB3 LYS 51 9.284 8.354 8.354
389 1HG LYS 51 HG2 LYS 51 11.293 9.478 9.478
390 2HG LYS 51 HG3 LYS 51 10.677 11.027 11.027
391 1HD LYS 51 HD2 LYS 51 10.541 9.545 9.545
392 2HD LYS 51 HD3 LYS 51 11.951 8.843 8.843
393 1HE LYS 51 HE2 LYS 51 12.792 11.262 11.262
394 2HE LYS 51 HE3 LYS 51 11.500 11.777 11.777
395 1HZ LYS 51 HZ3 LYS 51 12.570 9.851 9.851
396 2HZ LYS 51 HZ1 LYS 51 13.904 10.330 10.330
397 3HZ LYS 51 HZ2 LYS 51 13.068 11.404 11.404
398 H MET 52 HN MET 52 9.987 9.271 9.271
399 HA MET 52 HA MET 52 7.911 7.670 7.670
400 1HB MET 52 HB2 MET 52 8.558 8.609 8.609
401 2HB MET 52 HB3 MET 52 7.727 9.759 9.759
402 1HG MET 52 HG2 MET 52 9.564 11.125 11.125
403 2HG MET 52 HG3 MET 52 10.670 9.780 9.780
404 1HE MET 52 HE1 MET 52 9.537 12.546 12.546
405 2HE MET 52 HE2 MET 52 11.259 12.424 12.424
406 3HE MET 52 HE3 MET 52 10.762 12.356 12.356
407 H PHE 53 HN PHE 53 9.463 6.129 6.129
408 HA PHE 53 HA PHE 53 12.057 5.751 5.751
409 1HB PHE 53 HB2 PHE 53 9.611 4.056 4.056
410 2HB PHE 53 HB3 PHE 53 10.973 3.173 3.173
411 HD1 PHE 53 HD2 PHE 53 13.266 4.337 4.337
412 HD2 PHE 53 HD1 PHE 53 9.405 3.432 3.432
413 HE1 PHE 53 HE2 PHE 53 14.226 4.092 4.092
414 HE2 PHE 53 HE1 PHE 53 10.365 3.188 3.188
415 HZ PHE 53 HZ PHE 53 12.764 3.521 3.521
416 H LYS 54 HN LYS 54 9.699 3.827 3.827
417 HA LYS 54 HA LYS 54 11.351 4.423 4.423
418 1HB LYS 54 HB2 LYS 54 11.524 2.022 2.022
419 2HB LYS 54 HB3 LYS 54 10.346 1.662 1.662
420 1HG LYS 54 HG2 LYS 54 12.664 1.227 1.227
421 2HG LYS 54 HG3 LYS 54 11.884 2.466 2.466
422 1HD LYS 54 HD2 LYS 54 13.316 3.556 3.556
423 2HD LYS 54 HD3 LYS 54 14.370 2.703 2.703
424 1HE LYS 54 HE2 LYS 54 14.066 4.244 4.244
425 2HE LYS 54 HE3 LYS 54 12.395 4.554 4.554
426 1HZ LYS 54 HZ3 LYS 54 13.773 5.484 5.484
427 2HZ LYS 54 HZ1 LYS 54 14.739 5.894 5.894
428 3HZ LYS 54 HZ2 LYS 54 13.184 6.396 6.396
429 H GLY 55 HN GLY 55 9.391 6.009 6.009
430 1HA GLY 55 HA1 GLY 55 7.083 4.654 4.654
431 2HA GLY 55 HA2 GLY 55 6.974 6.102 6.102
432 HA PRO 56 HA PRO 56 7.317 7.595 7.595
433 1HB PRO 56 HB2 PRO 56 5.312 9.447 9.447
434 2HB PRO 56 HB3 PRO 56 5.065 7.807 7.807
435 1HG PRO 56 HG2 PRO 56 4.301 9.012 9.012
436 2HG PRO 56 HG3 PRO 56 3.705 7.541 7.541
437 1HD PRO 56 HD2 PRO 56 5.584 7.733 7.733
438 2HD PRO 56 HD3 PRO 56 5.077 6.271 6.271
439 H GLU 57 HN GLU 57 7.033 10.228 10.228
440 HA GLU 57 HA GLU 57 9.219 11.256 11.256
441 1HB GLU 57 HB2 GLU 57 8.118 12.735 12.735
442 2HB GLU 57 HB3 GLU 57 9.778 12.572 12.572
443 1HG GLU 57 HG2 GLU 57 9.639 10.092 10.092
444 2HG GLU 57 HG3 GLU 57 8.082 10.437 10.437
445 H LYS 58 HN LYS 58 5.810 11.917 11.917
446 HA LYS 58 HA LYS 58 5.819 14.442 14.442
447 1HB LYS 58 HB2 LYS 58 4.420 13.618 13.618
448 2HB LYS 58 HB3 LYS 58 3.321 13.025 13.025
449 1HG LYS 58 HG2 LYS 58 2.467 15.145 15.145
450 2HG LYS 58 HG3 LYS 58 3.846 15.547 15.547
451 1HD LYS 58 HD2 LYS 58 4.069 15.597 15.597
452 2HD LYS 58 HD3 LYS 58 3.408 16.967 16.967
453 1HE LYS 58 HE2 LYS 58 5.711 16.422 16.422
454 2HE LYS 58 HE3 LYS 58 6.216 16.009 16.009
455 1HZ LYS 58 HZ3 LYS 58 4.900 18.308 18.308
456 2HZ LYS 58 HZ1 LYS 58 5.588 18.564 18.564
457 3HZ LYS 58 HZ2 LYS 58 6.520 18.183 18.183
458 H ASP 59 HN ASP 59 3.458 11.753 11.753
459 HA ASP 59 HA ASP 59 4.146 10.762 10.762
460 1HB ASP 59 HB2 ASP 59 4.322 12.879 12.879
461 2HB ASP 59 HB3 ASP 59 2.844 13.479 13.479
462 H ILE 60 HN ILE 60 2.038 10.058 10.058
463 HA ILE 60 HA ILE 60 -0.053 9.568 9.568
464 HB ILE 60 HB ILE 60 0.071 8.183 8.183
465 1HG1 ILE 60 HG12 ILE 60 2.416 8.221 8.221
466 2HG1 ILE 60 HG13 ILE 60 1.729 6.610 6.610
467 1HG2 ILE 60 HG22 ILE 60 -1.586 7.964 7.964
468 2HG2 ILE 60 HG23 ILE 60 -0.368 6.733 6.733
469 3HG2 ILE 60 HG21 ILE 60 -1.239 6.643 6.643
470 1HD1 ILE 60 HD13 ILE 60 1.133 7.672 7.672
471 2HD1 ILE 60 HD11 ILE 60 2.848 8.012 8.012
472 3HD1 ILE 60 HD12 ILE 60 2.242 6.340 6.340
473 H GLU 61 HN GLU 61 -0.010 9.935 9.935
474 HA GLU 61 HA GLU 61 -1.153 11.231 11.231
475 1HB GLU 61 HB2 GLU 61 -1.111 12.809 12.809
476 2HB GLU 61 HB3 GLU 61 -2.665 13.013 13.013
477 1HG GLU 61 HG2 GLU 61 -1.011 13.185 13.185
478 2HG GLU 61 HG3 GLU 61 0.055 13.818 13.818
479 H PHE 62 HN PHE 62 -2.423 9.256 9.256
480 HA PHE 62 HA PHE 62 -4.898 9.002 9.002
481 1HB PHE 62 HB2 PHE 62 -4.528 10.189 10.189
482 2HB PHE 62 HB3 PHE 62 -5.656 8.847 8.847
483 HD1 PHE 62 HD1 PHE 62 -7.462 8.947 8.947
484 HD2 PHE 62 HD2 PHE 62 -5.378 12.294 12.294
485 HE1 PHE 62 HE1 PHE 62 -9.280 10.468 10.468
486 HE2 PHE 62 HE2 PHE 62 -7.195 13.814 13.814
487 HZ PHE 62 HZ PHE 62 -9.124 12.883 12.883
488 H ILE 63 HN ILE 63 -4.405 6.902 6.902
489 HA ILE 63 HA ILE 63 -3.728 5.037 5.037
490 HB ILE 63 HB ILE 63 -3.493 4.380 4.380
491 1HG1 ILE 63 HG12 ILE 63 -2.361 6.699 6.699
492 2HG1 ILE 63 HG13 ILE 63 -1.745 5.714 5.714
493 1HG2 ILE 63 HG21 ILE 63 -2.300 3.451 3.451
494 2HG2 ILE 63 HG22 ILE 63 -1.396 3.230 3.230
495 3HG2 ILE 63 HG23 ILE 63 -3.015 2.513 2.513
496 1HD1 ILE 63 HD11 ILE 63 -0.932 5.155 5.155
497 2HD1 ILE 63 HD12 ILE 63 -0.091 6.380 6.380
498 3HD1 ILE 63 HD13 ILE 63 -0.101 4.679 4.679
499 H TYR 64 HN TYR 64 -4.649 2.712 2.712
500 HA TYR 64 HA TYR 64 -7.452 3.057 3.057
501 1HB TYR 64 HB2 TYR 64 -7.688 2.617 2.617
502 2HB TYR 64 HB3 TYR 64 -6.050 2.008 2.008
503 HD1 TYR 64 HD2 TYR 64 -5.667 -0.369 -0.369
504 HD2 TYR 64 HD1 TYR 64 -9.439 1.122 1.122
505 HE1 TYR 64 HE2 TYR 64 -6.567 -2.743 -2.743
506 HE2 TYR 64 HE1 TYR 64 -10.327 -1.257 -1.257
507 HH TYR 64 HH TYR 64 -8.239 -3.976 -3.976
508 H THR 65 HN THR 65 -8.460 1.234 1.234
509 HA THR 65 HA THR 65 -7.033 -1.171 -1.171
510 HB THR 65 HB THR 65 -5.689 0.312 0.312
511 HG1 THR 65 HG1 THR 65 -6.285 -0.934 -0.934
512 1HG2 THR 65 HG23 THR 65 -8.447 1.141 1.141
513 2HG2 THR 65 HG21 THR 65 -7.155 1.021 1.021
514 3HG2 THR 65 HG22 THR 65 -6.973 2.126 2.126
515 H ALA 66 HN ALA 66 -8.232 -2.112 -2.112
516 HA ALA 66 HA ALA 66 -11.034 -2.039 -2.039
517 1HB ALA 66 HB1 ALA 66 -9.188 -4.106 -4.106
518 2HB ALA 66 HB2 ALA 66 -10.460 -4.070 -4.070
519 3HB ALA 66 HB3 ALA 66 -10.898 -4.267 -4.267
520 HA PRO 67 HA PRO 67 -12.126 -0.026 -0.026
521 1HB PRO 67 HB2 PRO 67 -14.752 -0.745 -0.745
522 2HB PRO 67 HB3 PRO 67 -14.201 0.523 0.523
523 1HG PRO 67 HG2 PRO 67 -15.080 -2.220 -2.220
524 2HG PRO 67 HG3 PRO 67 -14.938 -0.828 -0.828
525 1HD PRO 67 HD2 PRO 67 -13.128 -3.046 -3.046
526 2HD PRO 67 HD3 PRO 67 -12.928 -1.599 -1.599
527 H SER 68 HN SER 68 -13.975 -0.718 -0.718
528 HA SER 68 HA SER 68 -14.030 -1.779 -1.779
529 1HB SER 68 HB2 SER 68 -13.805 -3.878 -3.878
530 2HB SER 68 HB3 SER 68 -13.053 -4.400 -4.400
531 HG SER 68 HG SER 68 -15.721 -4.146 -4.146
532 H SER 69 HN SER 69 -12.403 -3.850 -3.850
533 HA SER 69 HA SER 69 -10.138 -2.284 -2.284
534 1HB SER 69 HB2 SER 69 -9.595 -4.115 -4.115
535 2HB SER 69 HB3 SER 69 -11.280 -3.652 -3.652
536 HG SER 69 HG SER 69 -11.180 -5.577 -5.577
537 H ALA 70 HN ALA 70 -10.059 -2.792 -2.792
538 HA ALA 70 HA ALA 70 -8.601 -3.389 -3.389
539 1HB ALA 70 HB3 ALA 70 -7.069 -3.367 -3.367
540 2HB ALA 70 HB1 ALA 70 -6.687 -4.927 -4.927
541 3HB ALA 70 HB2 ALA 70 -6.454 -3.409 -3.409
542 H VAL 71 HN VAL 71 -9.702 -4.826 -4.826
543 HA VAL 71 HA VAL 71 -9.865 -7.583 -7.583
544 HB VAL 71 HB VAL 71 -11.829 -7.833 -7.833
545 1HG1 VAL 71 HG11 VAL 71 -11.861 -6.026 -6.026
546 2HG1 VAL 71 HG12 VAL 71 -12.087 -4.875 -4.875
547 3HG1 VAL 71 HG13 VAL 71 -13.272 -6.177 -6.177
548 1HG2 VAL 71 HG23 VAL 71 -10.554 -6.182 -6.182
549 2HG2 VAL 71 HG21 VAL 71 -12.017 -7.182 -7.182
550 3HG2 VAL 71 HG22 VAL 71 -12.154 -5.486 -5.486
551 H CYS 72 HN CYS 72 -8.796 -5.429 -5.429
552 HA CYS 72 HA CYS 72 -7.297 -7.705 -7.705
553 1HB CYS 72 HB2 CYS 72 -9.455 -6.434 -6.434
554 2HB CYS 72 HB3 CYS 72 -7.991 -5.916 -5.916
555 H GLY 73 HN GLY 73 -7.009 -5.102 -5.102
556 1HA GLY 73 HA1 GLY 73 -4.510 -4.251 -4.251
557 2HA GLY 73 HA2 GLY 73 -5.728 -3.022 -3.022
558 H VAL 74 HN VAL 74 -4.158 -2.002 -2.002
559 HA VAL 74 HA VAL 74 -3.983 -3.437 -3.437
560 HB VAL 74 HB VAL 74 -2.208 -1.337 -1.337
561 1HG1 VAL 74 HG12 VAL 74 -2.141 -2.536 -2.536
562 2HG1 VAL 74 HG13 VAL 74 -0.785 -1.650 -1.650
563 3HG1 VAL 74 HG11 VAL 74 -2.333 -0.823 -0.823
564 1HG2 VAL 74 HG23 VAL 74 -2.144 -3.926 -3.926
565 2HG2 VAL 74 HG21 VAL 74 -0.649 -2.983 -2.983
566 3HG2 VAL 74 HG22 VAL 74 -1.244 -4.004 -4.004
567 H SER 75 HN SER 75 -5.797 -1.186 -1.186
568 HA SER 75 HA SER 75 -6.785 0.729 0.729
569 1HB SER 75 HB2 SER 75 -8.512 0.357 0.357
570 2HB SER 75 HB3 SER 75 -8.224 -1.158 -1.158
571 HG SER 75 HG SER 75 -6.530 -1.015 -1.015
572 H LEU 76 HN LEU 76 -4.947 2.153 2.153
573 HA LEU 76 HA LEU 76 -4.250 2.476 2.476
574 1HB LEU 76 HB2 LEU 76 -2.716 3.934 3.934
575 2HB LEU 76 HB3 LEU 76 -2.177 3.070 3.070
576 HG LEU 76 HG LEU 76 -2.984 0.993 0.993
577 1HD1 LEU 76 HD13 LEU 76 -2.988 3.156 3.156
578 2HD1 LEU 76 HD11 LEU 76 -1.443 2.327 2.327
579 3HD1 LEU 76 HD12 LEU 76 -2.974 1.427 1.427
580 1HD2 LEU 76 HD22 LEU 76 -0.571 2.048 2.048
581 2HD2 LEU 76 HD23 LEU 76 -0.918 0.386 0.386
582 3HD2 LEU 76 HD21 LEU 76 -0.254 1.569 1.569
583 H ASP 77 HN ASP 77 -4.788 4.315 4.315
584 HA ASP 77 HA ASP 77 -6.163 6.328 6.328
585 1HB ASP 77 HB2 ASP 77 -7.077 6.845 6.845
586 2HB ASP 77 HB3 ASP 77 -7.864 5.702 5.702
587 H VAL 78 HN VAL 78 -3.385 5.554 5.554
588 HA VAL 78 HA VAL 78 -1.653 6.774 6.774
589 HB VAL 78 HB VAL 78 -3.270 8.763 8.763
590 1HG1 VAL 78 HG12 VAL 78 -1.547 9.537 9.537
591 2HG1 VAL 78 HG13 VAL 78 -1.445 10.519 10.519
592 3HG1 VAL 78 HG11 VAL 78 -3.009 10.315 10.315
593 1HG2 VAL 78 HG23 VAL 78 -0.690 7.429 7.429
594 2HG2 VAL 78 HG21 VAL 78 -1.652 8.224 8.224
595 3HG2 VAL 78 HG22 VAL 78 -0.540 9.182 9.182
596 H GLY 79 HN GLY 79 -4.943 7.606 7.606
597 1HA GLY 79 HA1 GLY 79 -4.349 9.099 9.099
598 2HA GLY 79 HA2 GLY 79 -5.806 8.171 8.171
599 H GLY 80 HN GLY 80 -3.640 5.804 5.804
600 1HA GLY 80 HA1 GLY 80 -3.320 5.209 5.209
601 2HA GLY 80 HA2 GLY 80 -3.928 4.030 4.030
602 H LYS 81 HN LYS 81 -2.178 4.879 4.879
603 HA LYS 81 HA LYS 81 0.239 3.567 3.567
604 1HB LYS 81 HB2 LYS 81 0.429 3.872 3.872
605 2HB LYS 81 HB3 LYS 81 -0.045 2.426 2.426
606 1HG LYS 81 HG2 LYS 81 -2.018 4.619 4.619
607 2HG LYS 81 HG3 LYS 81 -1.693 3.221 3.221
608 1HD LYS 81 HD2 LYS 81 -2.912 1.814 1.814
609 2HD LYS 81 HD3 LYS 81 -2.276 2.507 2.507
610 1HE LYS 81 HE2 LYS 81 -4.094 3.858 3.858
611 2HE LYS 81 HE3 LYS 81 -4.011 4.424 4.424
612 1HZ LYS 81 HZ1 LYS 81 -4.921 1.716 1.716
613 2HZ LYS 81 HZ2 LYS 81 -5.933 2.881 2.881
614 3HZ LYS 81 HZ3 LYS 81 -5.454 2.868 2.868
615 H LYS 82 HN LYS 82 0.381 5.608 5.608
616 HA LYS 82 HA LYS 82 0.973 8.058 8.058
617 1HB LYS 82 HB2 LYS 82 3.530 7.960 7.960
618 2HB LYS 82 HB3 LYS 82 2.589 7.436 7.436
619 1HG LYS 82 HG2 LYS 82 2.870 5.110 5.110
620 2HG LYS 82 HG3 LYS 82 4.437 5.891 5.891
621 1HD LYS 82 HD2 LYS 82 4.924 5.206 5.206
622 2HD LYS 82 HD3 LYS 82 3.518 6.045 6.045
623 1HE LYS 82 HE2 LYS 82 2.143 4.136 4.136
624 2HE LYS 82 HE3 LYS 82 3.096 3.399 3.399
625 1HZ LYS 82 HZ1 LYS 82 4.127 3.788 3.788
626 2HZ LYS 82 HZ2 LYS 82 3.367 2.422 2.422
627 3HZ LYS 82 HZ3 LYS 82 4.770 2.864 2.864
628 H GLU 83 HN GLU 83 2.920 5.606 5.606
629 HA GLU 83 HA GLU 83 1.985 6.689 6.689
630 1HB GLU 83 HB2 GLU 83 4.808 6.969 6.969
631 2HB GLU 83 HB3 GLU 83 3.584 8.218 8.218
632 1HG GLU 83 HG2 GLU 83 4.382 7.370 7.370
633 2HG GLU 83 HG3 GLU 83 5.583 8.254 8.254
634 H TYR 84 HN TYR 84 3.200 5.560 5.560
635 HA TYR 84 HA TYR 84 4.512 3.098 3.098
636 1HB TYR 84 HB2 TYR 84 2.758 1.839 1.839
637 2HB TYR 84 HB3 TYR 84 2.102 2.521 2.521
638 HD1 TYR 84 HD2 TYR 84 2.697 3.679 3.679
639 HD2 TYR 84 HD1 TYR 84 0.016 3.495 3.495
640 HE1 TYR 84 HE2 TYR 84 0.927 4.909 4.909
641 HE2 TYR 84 HE1 TYR 84 -1.745 4.726 4.726
642 HH TYR 84 HH TYR 84 -1.650 4.994 4.994
643 H LEU 85 HN LEU 85 5.549 2.019 2.019
644 HA LEU 85 HA LEU 85 6.273 3.927 3.927
645 1HB LEU 85 HB2 LEU 85 7.904 2.178 2.178
646 2HB LEU 85 HB3 LEU 85 8.055 2.757 2.757
647 HG LEU 85 HG LEU 85 8.240 0.199 0.199
648 1HD1 LEU 85 HD13 LEU 85 7.992 1.598 1.598
649 2HD1 LEU 85 HD11 LEU 85 6.524 0.596 0.596
650 3HD1 LEU 85 HD12 LEU 85 8.120 -0.176 -0.176
651 1HD2 LEU 85 HD22 LEU 85 6.111 0.003 0.003
652 2HD2 LEU 85 HD23 LEU 85 6.126 -1.015 -1.015
653 3HD2 LEU 85 HD21 LEU 85 5.242 0.530 0.530
654 H ILE 86 HN ILE 86 3.616 2.070 2.070
655 HA ILE 86 HA ILE 86 2.631 0.501 0.501
656 HB ILE 86 HB ILE 86 2.050 3.313 3.313
657 1HG1 ILE 86 HG12 ILE 86 -0.226 2.547 2.547
658 2HG1 ILE 86 HG13 ILE 86 0.204 0.950 0.950
659 1HG2 ILE 86 HG23 ILE 86 1.762 1.821 1.821
660 2HG2 ILE 86 HG21 ILE 86 0.555 3.043 3.043
661 3HG2 ILE 86 HG22 ILE 86 2.267 3.502 3.502
662 1HD1 ILE 86 HD11 ILE 86 1.901 1.580 1.580
663 2HD1 ILE 86 HD12 ILE 86 0.206 1.894 1.894
664 3HD1 ILE 86 HD13 ILE 86 0.688 0.286 0.286
665 H ALA 87 HN ALA 87 3.739 -0.891 -0.891
666 HA ALA 87 HA ALA 87 4.710 0.240 0.240
667 1HB ALA 87 HB1 ALA 87 6.218 -1.059 -1.059
668 2HB ALA 87 HB2 ALA 87 6.314 -1.999 -1.999
669 3HB ALA 87 HB3 ALA 87 6.804 -0.288 -0.288
670 H GLY 88 HN GLY 88 3.240 -0.498 -0.498
671 1HA GLY 88 HA1 GLY 88 2.916 -3.367 -3.367
672 2HA GLY 88 HA2 GLY 88 1.458 -2.494 -2.494
673 H LYS 89 HN LYS 89 1.415 -3.810 -3.810
674 HA LYS 89 HA LYS 89 2.440 -2.608 -2.608
675 1HB LYS 89 HB2 LYS 89 0.473 -4.568 -4.568
676 2HB LYS 89 HB3 LYS 89 -0.248 -3.469 -3.469
677 1HG LYS 89 HG2 LYS 89 1.355 -3.929 -3.929
678 2HG LYS 89 HG3 LYS 89 2.583 -4.395 -4.395
679 1HD LYS 89 HD2 LYS 89 1.235 -6.466 -6.466
680 2HD LYS 89 HD3 LYS 89 0.086 -6.011 -6.011
681 1HE LYS 89 HE2 LYS 89 2.529 -5.851 -5.851
682 2HE LYS 89 HE3 LYS 89 2.778 -7.215 -7.215
683 1HZ LYS 89 HZ2 LYS 89 0.233 -7.181 -7.181
684 2HZ LYS 89 HZ3 LYS 89 1.508 -7.355 -7.355
685 3HZ LYS 89 HZ1 LYS 89 1.280 -8.417 -8.417
686 H ALA 90 HN ALA 90 2.564 -0.385 -0.385
687 HA ALA 90 HA ALA 90 0.664 1.389 1.389
688 1HB ALA 90 HB1 ALA 90 3.046 1.385 1.385
689 2HB ALA 90 HB2 ALA 90 1.847 2.585 2.585
690 3HB ALA 90 HB3 ALA 90 2.458 2.629 2.629
691 H GLU 91 HN GLU 91 -0.415 3.027 3.027
692 HA GLU 91 HA GLU 91 -1.942 1.272 1.272
693 1HB GLU 91 HB2 GLU 91 -3.215 2.168 2.168
694 2HB GLU 91 HB3 GLU 91 -2.947 3.792 3.792
695 1HG GLU 91 HG2 GLU 91 -4.044 3.021 3.021
696 2HG GLU 91 HG3 GLU 91 -4.513 1.558 1.558
697 H GLY 92 HN GLY 92 -0.297 4.398 4.398
698 1HA GLY 92 HA1 GLY 92 0.726 4.873 4.873
699 2HA GLY 92 HA2 GLY 92 -0.946 5.284 5.284
700 H ASP 93 HN ASP 93 1.215 5.767 5.767
701 HA ASP 93 HA ASP 93 1.675 7.520 7.520
702 1HB ASP 93 HB2 ASP 93 1.207 9.130 9.130
703 2HB ASP 93 HB3 ASP 93 2.114 9.673 9.673
704 H GLY 94 HN GLY 94 0.679 9.435 9.435
705 1HA GLY 94 HA1 GLY 94 -1.039 10.663 10.663
706 2HA GLY 94 HA2 GLY 94 -1.757 10.590 10.590
707 H LYS 95 HN LYS 95 -1.236 7.393 7.393
708 HA LYS 95 HA LYS 95 -3.091 6.771 6.771
709 1HB LYS 95 HB2 LYS 95 -5.138 6.534 6.534
710 2HB LYS 95 HB3 LYS 95 -4.555 7.941 7.941
711 1HG LYS 95 HG2 LYS 95 -4.274 5.069 5.069
712 2HG LYS 95 HG3 LYS 95 -5.548 6.165 6.165
713 1HD LYS 95 HD2 LYS 95 -2.555 6.650 6.650
714 2HD LYS 95 HD3 LYS 95 -3.664 6.124 6.124
715 1HE LYS 95 HE2 LYS 95 -3.810 8.772 8.772
716 2HE LYS 95 HE3 LYS 95 -3.282 8.570 8.570
717 1HZ LYS 95 HZ3 LYS 95 -5.732 7.356 7.356
718 2HZ LYS 95 HZ1 LYS 95 -5.894 8.763 8.763
719 3HZ LYS 95 HZ2 LYS 95 -5.385 8.772 8.772
720 H MET 96 HN MET 96 -3.041 4.552 4.552
721 HA MET 96 HA MET 96 -2.006 2.863 2.863
722 1HB MET 96 HB2 MET 96 -0.448 1.986 1.986
723 2HB MET 96 HB3 MET 96 0.125 3.113 3.113
724 1HG MET 96 HG2 MET 96 -0.982 4.941 4.941
725 2HG MET 96 HG3 MET 96 -0.828 3.685 3.685
726 1HE MET 96 HE3 MET 96 0.705 3.440 3.440
727 2HE MET 96 HE1 MET 96 2.470 3.532 3.532
728 3HE MET 96 HE2 MET 96 1.547 4.992 4.992
729 H HIS 97 HN HIS 97 -1.566 0.515 0.515
730 HA HIS 97 HA HIS 97 -4.060 0.158 0.158
731 1HB HIS 97 HB2 HIS 97 -3.282 -1.012 -1.012
732 2HB HIS 97 HB3 HIS 97 -3.340 -2.279 -2.279
733 HD1 HIS 97 HD1 HIS 97 -5.493 -3.365 -3.365
734 HD2 HIS 97 HD2 HIS 97 -5.946 0.683 0.683
735 HE1 HIS 97 HE1 HIS 97 -7.999 -2.890 -2.890
736 H ILE 98 HN ILE 98 -3.840 -0.796 -0.796
737 HA ILE 98 HA ILE 98 -1.426 -2.356 -2.356
738 HB ILE 98 HB ILE 98 -0.855 -1.170 -1.170
739 1HG1 ILE 98 HG12 ILE 98 -3.404 0.367 0.367
740 2HG1 ILE 98 HG13 ILE 98 -2.908 -0.511 -0.511
741 1HG2 ILE 98 HG21 ILE 98 -0.333 -0.270 -0.270
742 2HG2 ILE 98 HG22 ILE 98 -1.236 1.139 1.139
743 3HG2 ILE 98 HG23 ILE 98 0.218 0.576 0.576
744 1HD1 ILE 98 HD12 ILE 98 -0.995 1.612 1.612
745 2HD1 ILE 98 HD13 ILE 98 -2.620 2.224 2.224
746 3HD1 ILE 98 HD11 ILE 98 -1.725 1.259 1.259
747 H THR 99 HN THR 99 -1.757 -4.085 -4.085
748 HA THR 99 HA THR 99 -4.331 -4.184 -4.184
749 HB THR 99 HB THR 99 -4.353 -6.672 -6.672
750 HG1 THR 99 HG1 THR 99 -2.906 -6.930 -6.930
751 1HG2 THR 99 HG21 THR 99 -5.691 -4.412 -4.412
752 2HG2 THR 99 HG22 THR 99 -4.781 -4.829 -4.829
753 3HG2 THR 99 HG23 THR 99 -5.897 -6.013 -6.013
754 H LEU 100 HN LEU 100 -4.389 -6.142 -6.142
755 HA LEU 100 HA LEU 100 -2.183 -5.894 -5.894
756 1HB LEU 100 HB2 LEU 100 -3.405 -7.106 -7.106
757 2HB LEU 100 HB3 LEU 100 -4.679 -6.529 -6.529
758 HG LEU 100 HG LEU 100 -3.436 -9.198 -9.198
759 1HD1 LEU 100 HD11 LEU 100 -5.173 -8.535 -8.535
760 2HD1 LEU 100 HD12 LEU 100 -5.388 -10.091 -10.091
761 3HD1 LEU 100 HD13 LEU 100 -3.808 -9.669 -9.669
762 1HD2 LEU 100 HD21 LEU 100 -5.387 -7.765 -7.765
763 2HD2 LEU 100 HD22 LEU 100 -5.231 -9.536 -9.536
764 3HD2 LEU 100 HD23 LEU 100 -6.354 -8.785 -8.785
765 H CYS 101 HN CYS 101 -3.166 -8.390 -8.390
766 HA CYS 101 HA CYS 101 -1.135 -10.192 -10.192
767 1HB CYS 101 HB2 CYS 101 -1.808 -10.353 -10.353
768 2HB CYS 101 HB3 CYS 101 -2.173 -11.463 -11.463
769 H ASP 102 HN ASP 102 -1.268 -7.165 -7.165
770 HA ASP 102 HA ASP 102 1.138 -7.677 -7.677
771 1HB ASP 102 HB2 ASP 102 -0.906 -6.046 -6.046
772 2HB ASP 102 HB3 ASP 102 -0.008 -4.914 -4.914
773 H PHE 103 HN PHE 103 2.967 -5.854 -5.854
774 HA PHE 103 HA PHE 103 3.862 -5.974 -5.974
775 1HB PHE 103 HB2 PHE 103 5.475 -6.057 -6.057
776 2HB PHE 103 HB3 PHE 103 4.722 -4.711 -4.711
777 HD1 PHE 103 HD2 PHE 103 5.243 -4.397 -4.397
778 HD2 PHE 103 HD1 PHE 103 6.957 -3.693 -3.693
779 HE1 PHE 103 HE2 PHE 103 6.904 -2.825 -2.825
780 HE2 PHE 103 HE1 PHE 103 8.618 -2.122 -2.122
781 HZ PHE 103 HZ PHE 103 8.571 -1.706 -1.706
782 H ILE 104 HN ILE 104 3.334 -4.614 -4.614
783 HA ILE 104 HA ILE 104 3.303 -1.812 -1.812
784 HB ILE 104 HB ILE 104 0.859 -1.642 -1.642
785 1HG1 ILE 104 HG12 ILE 104 0.737 -4.323 -4.323
786 2HG1 ILE 104 HG13 ILE 104 0.545 -4.079 -4.079
787 1HG2 ILE 104 HG23 ILE 104 2.071 -1.212 -1.212
788 2HG2 ILE 104 HG21 ILE 104 0.818 -2.386 -2.386
789 3HG2 ILE 104 HG22 ILE 104 0.358 -0.868 -0.868
790 1HD1 ILE 104 HD13 ILE 104 -1.372 -2.464 -2.464
791 2HD1 ILE 104 HD11 ILE 104 -1.254 -3.033 -3.033
792 3HD1 ILE 104 HD12 ILE 104 -1.676 -4.176 -4.176
793 H VAL 105 HN VAL 105 3.724 -0.786 -0.786
794 HA VAL 105 HA VAL 105 3.077 -2.108 -2.108
795 HB VAL 105 HB VAL 105 5.746 -1.646 -1.646
796 1HG1 VAL 105 HG13 VAL 105 4.144 -4.129 -4.129
797 2HG1 VAL 105 HG11 VAL 105 5.885 -4.232 -4.232
798 3HG1 VAL 105 HG12 VAL 105 4.772 -3.532 -3.532
799 1HG2 VAL 105 HG23 VAL 105 5.436 -2.843 -2.843
800 2HG2 VAL 105 HG21 VAL 105 6.274 -1.333 -1.333
801 3HG2 VAL 105 HG22 VAL 105 6.930 -2.901 -2.901
802 HA PRO 106 HA PRO 106 3.080 2.022 2.022
803 1HB PRO 106 HB2 PRO 106 3.498 1.834 1.834
804 2HB PRO 106 HB3 PRO 106 1.946 1.526 1.526
805 1HG PRO 106 HG2 PRO 106 3.894 -0.412 -0.412
806 2HG PRO 106 HG3 PRO 106 2.195 -0.647 -0.647
807 1HD PRO 106 HD2 PRO 106 4.420 -1.554 -1.554
808 2HD PRO 106 HD3 PRO 106 2.723 -1.687 -1.687
809 H TRP 107 HN TRP 107 5.778 0.521 0.521
810 HA TRP 107 HA TRP 107 7.860 1.245 1.245
811 1HB TRP 107 HB2 TRP 107 6.807 3.422 3.422
812 2HB TRP 107 HB3 TRP 107 6.948 3.911 3.911
813 HD1 TRP 107 HD1 TRP 107 9.537 2.459 2.459
814 HE1 TRP 107 HE1 TRP 107 11.787 3.833 3.833
815 HE3 TRP 107 HE3 TRP 107 8.019 5.697 5.697
816 HZ2 TRP 107 HZ2 TRP 107 12.660 6.070 6.070
817 HZ3 TRP 107 HZ3 TRP 107 9.631 7.445 7.445
818 HH2 TRP 107 HH2 TRP 107 11.882 7.663 7.663
819 H ASP 108 HN ASP 108 6.581 2.848 2.848
820 HA ASP 108 HA ASP 108 8.910 2.280 2.280
821 1HB ASP 108 HB2 ASP 108 7.060 4.051 4.051
822 2HB ASP 108 HB3 ASP 108 6.146 2.753 2.753
823 H THR 109 HN THR 109 8.430 -0.165 -0.165
824 HA THR 109 HA THR 109 7.861 -1.799 -1.799
825 HB THR 109 HB THR 109 6.092 -3.088 -3.088
826 HG1 THR 109 HG1 THR 109 6.159 -0.295 -0.295
827 1HG2 THR 109 HG23 THR 109 5.618 -1.677 -1.677
828 2HG2 THR 109 HG21 THR 109 5.199 -0.361 -0.361
829 3HG2 THR 109 HG22 THR 109 4.275 -1.881 -1.881
830 H LEU 110 HN LEU 110 8.162 -1.834 -1.834
831 HA LEU 110 HA LEU 110 9.036 -3.778 -3.778
832 1HB LEU 110 HB2 LEU 110 11.292 -1.927 -1.927
833 2HB LEU 110 HB3 LEU 110 11.276 -3.023 -3.023
834 HG LEU 110 HG LEU 110 9.362 -0.699 -0.699
835 1HD1 LEU 110 HD13 LEU 110 12.002 -0.908 -0.908
836 2HD1 LEU 110 HD11 LEU 110 10.759 0.275 0.275
837 3HD1 LEU 110 HD12 LEU 110 11.454 0.319 0.319
838 1HD2 LEU 110 HD23 LEU 110 9.296 -2.966 -2.966
839 2HD2 LEU 110 HD21 LEU 110 8.211 -1.555 -1.555
840 3HD2 LEU 110 HD22 LEU 110 9.668 -1.534 -1.534
841 H SER 111 HN SER 111 12.085 -3.358 -3.358
842 HA SER 111 HA SER 111 12.220 -4.689 -4.689
843 1HB SER 111 HB2 SER 111 11.285 -6.653 -6.653
844 2HB SER 111 HB3 SER 111 12.465 -7.222 -7.222
845 HG SER 111 HG SER 111 10.210 -7.536 -7.536
846 H THR 112 HN THR 112 13.216 -5.036 -5.036
847 HA THR 112 HA THR 112 15.688 -4.105 -4.105
848 HB THR 112 HB THR 112 15.557 -6.712 -6.712
849 HG1 THR 112 HG1 THR 112 17.437 -4.473 -4.473
850 1HG2 THR 112 HG23 THR 112 17.861 -5.969 -5.969
851 2HG2 THR 112 HG21 THR 112 17.934 -7.223 -7.223
852 3HG2 THR 112 HG22 THR 112 16.846 -7.426 -7.426
853 H THR 113 HN THR 113 14.606 -7.468 -7.468
854 HA THR 113 HA THR 113 15.779 -7.563 -7.563
855 HB THR 113 HB THR 113 13.172 -8.763 -8.763
856 HG1 THR 113 HG1 THR 113 15.140 -9.355 -9.355
857 1HG2 THR 113 HG23 THR 113 13.636 -8.814 -8.814
858 2HG2 THR 113 HG21 THR 113 14.894 -9.989 -9.989
859 3HG2 THR 113 HG22 THR 113 13.189 -10.315 -10.315
860 H GLN 114 HN GLN 114 12.960 -5.702 -5.702
861 HA GLN 114 HA GLN 114 12.136 -5.293 -5.293
862 1HB GLN 114 HB2 GLN 114 11.184 -4.420 -4.420
863 2HB GLN 114 HB3 GLN 114 10.680 -3.472 -3.472
864 1HG GLN 114 HG2 GLN 114 8.978 -5.032 -5.032
865 2HG GLN 114 HG3 GLN 114 10.145 -5.919 -5.919
866 1HE2 GLN 114 HE22 GLN 114 11.200 -8.052 -8.052
867 2HE2 GLN 114 HE21 GLN 114 11.870 -7.046 -7.046
868 H LYS 115 HN LYS 115 14.034 -3.617 -3.617
869 HA LYS 115 HA LYS 115 14.122 -1.125 -1.125
870 1HB LYS 115 HB2 LYS 115 15.123 -2.317 -2.317
871 2HB LYS 115 HB3 LYS 115 16.405 -1.419 -1.419
872 1HG LYS 115 HG2 LYS 115 15.292 0.624 0.624
873 2HG LYS 115 HG3 LYS 115 13.701 -0.107 -0.107
874 1HD LYS 115 HD2 LYS 115 15.594 0.028 0.028
875 2HD LYS 115 HD3 LYS 115 13.957 0.642 0.642
876 1HE LYS 115 HE2 LYS 115 13.274 -1.870 -1.870
877 2HE LYS 115 HE3 LYS 115 14.866 -2.248 -2.248
878 1HZ LYS 115 HZ3 LYS 115 12.989 -0.505 -0.505
879 2HZ LYS 115 HZ1 LYS 115 13.044 -2.120 -2.120
880 3HZ LYS 115 HZ2 LYS 115 14.347 -1.201 -1.201
881 H LYS 116 HN LYS 116 16.204 -4.066 -4.066
882 HA LYS 116 HA LYS 116 18.258 -2.959 -2.959
883 1HB LYS 116 HB2 LYS 116 19.054 -5.184 -5.184
884 2HB LYS 116 HB3 LYS 116 18.344 -5.057 -5.057
885 1HG LYS 116 HG2 LYS 116 16.983 -6.801 -6.801
886 2HG LYS 116 HG3 LYS 116 16.212 -5.835 -5.835
887 1HD LYS 116 HD2 LYS 116 18.819 -6.856 -6.856
888 2HD LYS 116 HD3 LYS 116 17.764 -8.160 -8.160
889 1HE LYS 116 HE2 LYS 116 16.411 -7.910 -7.910
890 2HE LYS 116 HE3 LYS 116 16.294 -6.176 -6.176
891 1HZ LYS 116 HZ3 LYS 116 18.748 -7.349 -7.349
892 2HZ LYS 116 HZ1 LYS 116 17.478 -7.067 -7.067
893 3HZ LYS 116 HZ2 LYS 116 18.179 -5.830 -5.830
894 H SER 117 HN SER 117 14.982 -3.786 -3.786
895 HA SER 117 HA SER 117 15.618 -4.149 -4.149
896 1HB SER 117 HB2 SER 117 13.584 -5.106 -5.106
897 2HB SER 117 HB3 SER 117 12.765 -3.956 -3.956
898 HG SER 117 HG SER 117 14.281 -5.292 -5.292
899 H LEU 118 HN LEU 118 14.884 -1.639 -1.639
900 HA LEU 118 HA LEU 118 13.398 0.035 0.035
901 1HB LEU 118 HB2 LEU 118 14.858 0.514 0.514
902 2HB LEU 118 HB3 LEU 118 13.986 1.771 1.771
903 HG LEU 118 HG LEU 118 12.743 -0.799 -0.799
904 1HD1 LEU 118 HD12 LEU 118 13.561 1.470 1.470
905 2HD1 LEU 118 HD13 LEU 118 11.790 1.574 1.574
906 3HD1 LEU 118 HD11 LEU 118 12.539 0.116 0.116
907 1HD2 LEU 118 HD22 LEU 118 11.703 1.524 1.524
908 2HD2 LEU 118 HD23 LEU 118 11.293 -0.204 -0.204
909 3HD2 LEU 118 HD21 LEU 118 10.646 0.788 0.788
910 H ASN 119 HN ASN 119 16.812 -0.688 -0.688
911 HA ASN 119 HA ASN 119 17.597 1.657 1.657
912 1HB ASN 119 HB2 ASN 119 19.932 0.789 0.789
913 2HB ASN 119 HB3 ASN 119 18.998 1.011 1.011
914 1HD2 ASN 119 HD22 ASN 119 20.100 -2.726 -2.726
915 2HD2 ASN 119 HD21 ASN 119 20.200 -1.308 -1.308
916 H HIS 120 HN HIS 120 16.774 -1.694 -1.694
917 HA HIS 120 HA HIS 120 18.408 -2.000 -2.000
918 1HB HIS 120 HB2 HIS 120 17.051 -3.728 -3.728
919 2HB HIS 120 HB3 HIS 120 16.522 -4.106 -4.106
920 HD1 HIS 120 HD1 HIS 120 17.858 -6.419 -6.419
921 HD2 HIS 120 HD2 HIS 120 20.202 -2.959 -2.959
922 HE1 HIS 120 HE1 HIS 120 20.244 -7.215 -7.215
923 H ARG 121 HN ARG 121 16.579 0.236 0.236
924 HA ARG 121 HA ARG 121 15.173 1.188 1.188
925 1HB ARG 121 HB2 ARG 121 16.032 -1.164 -1.164
926 2HB ARG 121 HB3 ARG 121 14.530 -0.429 -0.429
927 1HG ARG 121 HG2 ARG 121 16.734 0.505 0.505
928 2HG ARG 121 HG3 ARG 121 15.549 1.667 1.667
929 1HD ARG 121 HD2 ARG 121 16.899 2.413 2.413
930 2HD ARG 121 HD3 ARG 121 17.441 0.798 0.798
931 HE ARG 121 HE ARG 121 18.565 1.549 1.549
932 1HH1 ARG 121 HH22 ARG 121 18.859 2.256 2.256
933 2HH1 ARG 121 HH21 ARG 121 20.522 2.723 2.723
934 1HH2 ARG 121 HH12 ARG 121 20.762 2.166 2.166
935 2HH2 ARG 121 HH11 ARG 121 21.612 2.671 2.671
936 H TYR 122 HN TYR 122 13.894 -1.896 -1.896
937 HA TYR 122 HA TYR 122 11.902 -2.205 -2.205
938 1HB TYR 122 HB2 TYR 122 10.041 -1.334 -1.334
939 2HB TYR 122 HB3 TYR 122 11.288 -0.122 -0.122
940 HD1 TYR 122 HD2 TYR 122 9.423 -2.860 -2.860
941 HD2 TYR 122 HD1 TYR 122 12.374 0.190 0.190
942 HE1 TYR 122 HE2 TYR 122 9.245 -3.129 -3.129
943 HE2 TYR 122 HE1 TYR 122 12.185 -0.091 -0.091
944 HH TYR 122 HH TYR 122 9.859 -2.389 -2.389
945 H GLN 123 HN GLN 123 14.004 -3.487 -3.487
946 HA GLN 123 HA GLN 123 12.941 -5.977 -5.977
947 1HB GLN 123 HB2 GLN 123 11.224 -5.005 -5.005
948 2HB GLN 123 HB3 GLN 123 12.509 -4.687 -4.687
949 1HG GLN 123 HG2 GLN 123 12.754 -7.432 -7.432
950 2HG GLN 123 HG3 GLN 123 11.079 -7.151 -7.151
951 1HE2 GLN 123 HE22 GLN 123 12.632 -8.248 -8.248
952 2HE2 GLN 123 HE21 GLN 123 12.136 -8.860 -8.860
953 H MET 124 HN MET 124 15.376 -5.314 -5.314
954 HA MET 124 HA MET 124 17.163 -5.107 -5.107
955 1HB MET 124 HB2 MET 124 17.230 -5.256 -5.256
956 2HB MET 124 HB3 MET 124 18.608 -6.049 -6.049
957 1HG MET 124 HG2 MET 124 18.042 -3.472 -3.472
958 2HG MET 124 HG3 MET 124 18.292 -3.272 -3.272
959 1HE MET 124 HE2 MET 124 20.039 -2.116 -2.116
960 2HE MET 124 HE3 MET 124 21.549 -2.981 -2.981
961 3HE MET 124 HE1 MET 124 20.006 -3.555 -3.555
962 H GLY 125 HN GLY 125 15.738 -7.174 -7.174
963 1HA GLY 125 HA1 GLY 125 15.730 -9.355 -9.355
964 2HA GLY 125 HA2 GLY 125 17.475 -9.210 -9.210
965 H CYS 126 HN CYS 126 15.648 -8.612 -8.612
966 HA CYS 126 HA CYS 126 17.066 -10.520 -10.520
967 1HB CYS 126 HB2 CYS 126 15.937 -9.790 -9.790
968 2HB CYS 126 HB3 CYS 126 15.671 -8.434 -8.434
969 H GLU 127 HN GLU 127 15.075 -11.940 -11.940
970 HA GLU 127 HA GLU 127 13.193 -13.211 -13.211
971 1HB GLU 127 HB2 GLU 127 15.146 -14.095 -14.095
972 2HB GLU 127 HB3 GLU 127 15.802 -14.780 -14.780
973 1HG GLU 127 HG2 GLU 127 14.633 -16.661 -16.661
974 2HG GLU 127 HG3 GLU 127 13.210 -15.790 -15.790
Start of MODEL 42
1 H CYS 1 HN CYS 1 -6.756 -9.734 -9.734
2 HA CYS 1 HA CYS 1 -9.238 -9.153 -9.153
3 1HB CYS 1 HB2 CYS 1 -8.521 -10.765 -10.765
4 2HB CYS 1 HB3 CYS 1 -10.060 -10.997 -10.997
5 H SER 2 HN SER 2 -8.086 -9.941 -9.941
6 HA SER 2 HA SER 2 -7.947 -11.426 -11.426
7 1HB SER 2 HB2 SER 2 -8.984 -13.860 -13.860
8 2HB SER 2 HB3 SER 2 -9.702 -12.843 -12.843
9 HG SER 2 HG SER 2 -11.181 -12.455 -12.455
10 H CYS 3 HN CYS 3 -6.319 -11.505 -11.505
11 HA CYS 3 HA CYS 3 -5.157 -13.987 -13.987
12 1HB CYS 3 HB2 CYS 3 -3.647 -11.431 -11.431
13 2HB CYS 3 HB3 CYS 3 -3.477 -12.979 -12.979
14 H SER 4 HN SER 4 -2.485 -14.015 -14.015
15 HA SER 4 HA SER 4 -2.256 -13.426 -13.426
16 1HB SER 4 HB2 SER 4 -0.842 -15.367 -15.367
17 2HB SER 4 HB3 SER 4 -2.269 -15.869 -15.869
18 HG SER 4 HG SER 4 -0.877 -16.611 -16.611
19 HA PRO 5 HA PRO 5 0.919 -10.792 -10.792
20 1HB PRO 5 HB2 PRO 5 1.261 -9.294 -9.294
21 2HB PRO 5 HB3 PRO 5 0.063 -8.922 -8.922
22 1HG PRO 5 HG2 PRO 5 -0.330 -10.120 -10.120
23 2HG PRO 5 HG3 PRO 5 -1.512 -9.359 -9.359
24 1HD PRO 5 HD2 PRO 5 -1.161 -12.172 -12.172
25 2HD PRO 5 HD3 PRO 5 -2.263 -11.415 -11.415
26 H VAL 6 HN VAL 6 2.824 -11.701 -11.701
27 HA VAL 6 HA VAL 6 4.439 -12.270 -12.270
28 HB VAL 6 HB VAL 6 3.255 -14.350 -14.350
29 1HG1 VAL 6 HG13 VAL 6 4.133 -13.515 -13.515
30 2HG1 VAL 6 HG11 VAL 6 4.793 -15.126 -15.126
31 3HG1 VAL 6 HG12 VAL 6 3.038 -14.844 -14.844
32 1HG2 VAL 6 HG22 VAL 6 6.171 -13.979 -13.979
33 2HG2 VAL 6 HG23 VAL 6 5.078 -15.072 -15.072
34 3HG2 VAL 6 HG21 VAL 6 5.680 -15.526 -15.526
35 H HIS 7 HN HIS 7 6.094 -13.717 -13.717
36 HA HIS 7 HA HIS 7 8.040 -13.027 -13.027
37 1HB HIS 7 HB2 HIS 7 7.362 -11.375 -11.375
38 2HB HIS 7 HB3 HIS 7 7.100 -13.107 -13.107
39 HD1 HIS 7 HD1 HIS 7 4.799 -13.745 -13.745
40 HD2 HIS 7 HD2 HIS 7 4.871 -10.021 -10.021
41 HE1 HIS 7 HE1 HIS 7 2.401 -12.873 -12.873
42 HA PRO 8 HA PRO 8 8.625 -9.174 -9.174
43 1HB PRO 8 HB2 PRO 8 10.891 -9.912 -9.912
44 2HB PRO 8 HB3 PRO 8 9.282 -10.102 -10.102
45 1HG PRO 8 HG2 PRO 8 11.082 -12.166 -12.166
46 2HG PRO 8 HG3 PRO 8 9.685 -12.372 -12.372
47 1HD PRO 8 HD2 PRO 8 9.814 -12.862 -12.862
48 2HD PRO 8 HD3 PRO 8 8.388 -12.956 -12.956
49 H GLN 9 HN GLN 9 9.928 -10.627 -10.627
50 HA GLN 9 HA GLN 9 11.641 -8.324 -8.324
51 1HB GLN 9 HB2 GLN 9 13.289 -9.918 -9.918
52 2HB GLN 9 HB3 GLN 9 12.455 -11.232 -11.232
53 1HG GLN 9 HG2 GLN 9 14.459 -10.486 -10.486
54 2HG GLN 9 HG3 GLN 9 12.985 -10.291 -10.291
55 1HE2 GLN 9 HE22 GLN 9 14.438 -6.854 -6.854
56 2HE2 GLN 9 HE21 GLN 9 14.283 -8.349 -8.349
57 H GLN 10 HN GLN 10 9.942 -11.203 -11.203
58 HA GLN 10 HA GLN 10 10.182 -10.404 -10.404
59 1HB GLN 10 HB2 GLN 10 7.829 -12.028 -12.028
60 2HB GLN 10 HB3 GLN 10 8.771 -12.223 -12.223
61 1HG GLN 10 HG2 GLN 10 10.761 -12.693 -12.693
62 2HG GLN 10 HG3 GLN 10 9.436 -13.090 -13.090
63 1HE2 GLN 10 HE22 GLN 10 9.493 -16.345 -16.345
64 2HE2 GLN 10 HE21 GLN 10 9.642 -15.233 -15.233
65 H ALA 11 HN ALA 11 8.587 -8.888 -8.888
66 HA ALA 11 HA ALA 11 6.242 -8.088 -8.088
67 1HB ALA 11 HB1 ALA 11 7.232 -8.026 -8.026
68 2HB ALA 11 HB2 ALA 11 6.523 -6.466 -6.466
69 3HB ALA 11 HB3 ALA 11 5.560 -7.957 -7.957
70 H PHE 12 HN PHE 12 9.488 -6.844 -6.844
71 HA PHE 12 HA PHE 12 8.867 -4.271 -4.271
72 1HB PHE 12 HB2 PHE 12 11.358 -5.617 -5.617
73 2HB PHE 12 HB3 PHE 12 11.359 -3.954 -3.954
74 HD1 PHE 12 HD1 PHE 12 8.868 -5.895 -5.895
75 HD2 PHE 12 HD2 PHE 12 11.508 -2.577 -2.577
76 HE1 PHE 12 HE1 PHE 12 8.052 -5.141 -5.141
77 HE2 PHE 12 HE2 PHE 12 10.692 -1.823 -1.823
78 HZ PHE 12 HZ PHE 12 8.975 -3.115 -3.115
79 H CYS 13 HN CYS 13 9.468 -7.253 -7.253
80 HA CYS 13 HA CYS 13 11.183 -6.150 -6.150
81 1HB CYS 13 HB2 CYS 13 10.937 -8.864 -8.864
82 2HB CYS 13 HB3 CYS 13 11.279 -8.770 -8.770
83 H ASN 14 HN ASN 14 8.005 -7.114 -7.114
84 HA ASN 14 HA ASN 14 7.266 -7.806 -7.806
85 1HB ASN 14 HB2 ASN 14 6.312 -8.500 -8.500
86 2HB ASN 14 HB3 ASN 14 5.015 -7.609 -7.609
87 1HD2 ASN 14 HD22 ASN 14 5.920 -11.421 -11.421
88 2HD2 ASN 14 HD21 ASN 14 6.680 -10.542 -10.542
89 H ALA 15 HN ALA 15 6.779 -5.355 -5.355
90 HA ALA 15 HA ALA 15 4.734 -3.880 -3.880
91 1HB ALA 15 HB3 ALA 15 7.158 -3.045 -3.045
92 2HB ALA 15 HB1 ALA 15 5.751 -2.000 -2.000
93 3HB ALA 15 HB2 ALA 15 5.553 -3.513 -3.513
94 H ASP 16 HN ASP 16 5.063 -1.519 -1.519
95 HA ASP 16 HA ASP 16 7.317 -1.420 -1.420
96 1HB ASP 16 HB2 ASP 16 4.439 -1.714 -1.714
97 2HB ASP 16 HB3 ASP 16 5.353 -0.520 -0.520
98 H VAL 17 HN VAL 17 5.773 -0.063 -0.063
99 HA VAL 17 HA VAL 17 6.521 2.587 2.587
100 HB VAL 17 HB VAL 17 4.422 2.492 2.492
101 1HG1 VAL 17 HG11 VAL 17 3.397 0.713 0.713
102 2HG1 VAL 17 HG12 VAL 17 2.981 2.039 2.039
103 3HG1 VAL 17 HG13 VAL 17 2.312 2.018 2.018
104 1HG2 VAL 17 HG23 VAL 17 5.219 4.550 4.550
105 2HG2 VAL 17 HG21 VAL 17 3.533 4.527 4.527
106 3HG2 VAL 17 HG22 VAL 17 3.901 4.158 4.158
107 H VAL 18 HN VAL 18 7.779 2.467 2.467
108 HA VAL 18 HA VAL 18 6.310 1.934 1.934
109 HB VAL 18 HB VAL 18 9.258 2.236 2.236
110 1HG1 VAL 18 HG12 VAL 18 7.180 0.996 0.996
111 2HG1 VAL 18 HG13 VAL 18 8.476 -0.162 -0.162
112 3HG1 VAL 18 HG11 VAL 18 8.866 1.380 1.380
113 1HG2 VAL 18 HG22 VAL 18 8.822 1.007 1.007
114 2HG2 VAL 18 HG23 VAL 18 9.673 0.021 0.021
115 3HG2 VAL 18 HG21 VAL 18 7.934 -0.226 -0.226
116 H ILE 19 HN ILE 19 5.648 3.651 3.651
117 HA ILE 19 HA ILE 19 7.358 6.003 6.003
118 HB ILE 19 HB ILE 19 5.619 7.527 7.527
119 1HG1 ILE 19 HG12 ILE 19 3.858 5.155 5.155
120 2HG1 ILE 19 HG13 ILE 19 3.594 6.828 6.828
121 1HG2 ILE 19 HG21 ILE 19 6.907 6.477 6.477
122 2HG2 ILE 19 HG22 ILE 19 5.561 5.335 5.335
123 3HG2 ILE 19 HG23 ILE 19 5.300 7.078 7.078
124 1HD1 ILE 19 HD13 ILE 19 3.265 7.431 7.431
125 2HD1 ILE 19 HD11 ILE 19 3.505 5.725 5.725
126 3HD1 ILE 19 HD12 ILE 19 2.101 6.198 6.198
127 H ARG 20 HN ARG 20 7.605 6.699 6.699
128 HA ARG 20 HA ARG 20 6.155 5.335 5.335
129 1HB ARG 20 HB2 ARG 20 8.017 7.736 7.736
130 2HB ARG 20 HB3 ARG 20 7.600 6.554 6.554
131 1HG ARG 20 HG2 ARG 20 8.928 4.867 4.867
132 2HG ARG 20 HG3 ARG 20 8.848 5.573 5.573
133 1HD ARG 20 HD2 ARG 20 11.091 5.791 5.791
134 2HD ARG 20 HD3 ARG 20 10.495 7.206 7.206
135 HE ARG 20 HE ARG 20 9.336 7.536 7.536
136 1HH1 ARG 20 HH22 ARG 20 12.639 6.743 6.743
137 2HH1 ARG 20 HH21 ARG 20 13.342 7.491 7.491
138 1HH2 ARG 20 HH12 ARG 20 10.262 8.525 8.525
139 2HH2 ARG 20 HH11 ARG 20 11.981 8.512 8.512
140 H THR 21 HN THR 21 4.401 6.860 6.860
141 HA THR 21 HA THR 21 3.798 9.401 9.401
142 HB THR 21 HB THR 21 3.048 8.644 8.644
143 HG1 THR 21 HG1 THR 21 1.655 10.039 10.039
144 1HG2 THR 21 HG21 THR 21 2.680 6.167 6.167
145 2HG2 THR 21 HG22 THR 21 1.063 6.770 6.770
146 3HG2 THR 21 HG23 THR 21 1.596 6.807 6.807
147 H LYS 22 HN LYS 22 1.654 9.969 9.969
148 HA LYS 22 HA LYS 22 1.133 8.013 8.013
149 1HB LYS 22 HB2 LYS 22 0.992 9.796 9.796
150 2HB LYS 22 HB3 LYS 22 2.544 9.885 9.885
151 1HG LYS 22 HG2 LYS 22 1.728 11.690 11.690
152 2HG LYS 22 HG3 LYS 22 0.111 11.543 11.543
153 1HD LYS 22 HD2 LYS 22 2.619 12.507 12.507
154 2HD LYS 22 HD3 LYS 22 1.164 13.425 13.425
155 1HE LYS 22 HE2 LYS 22 -0.106 11.732 11.732
156 2HE LYS 22 HE3 LYS 22 1.454 11.086 11.086
157 1HZ LYS 22 HZ3 LYS 22 0.959 13.950 13.950
158 2HZ LYS 22 HZ1 LYS 22 0.394 12.940 12.940
159 3HZ LYS 22 HZ2 LYS 22 1.997 13.019 13.019
160 H ALA 23 HN ALA 23 -0.926 7.302 7.302
161 HA ALA 23 HA ALA 23 -2.859 8.820 8.820
162 1HB ALA 23 HB3 ALA 23 -2.603 6.418 6.418
163 2HB ALA 23 HB1 ALA 23 -2.947 6.054 6.054
164 3HB ALA 23 HB2 ALA 23 -4.216 6.753 6.753
165 H VAL 24 HN VAL 24 -3.653 10.533 10.533
166 HA VAL 24 HA VAL 24 -4.419 9.978 9.978
167 HB VAL 24 HB VAL 24 -4.694 12.565 12.565
168 1HG1 VAL 24 HG13 VAL 24 -2.136 10.980 10.980
169 2HG1 VAL 24 HG11 VAL 24 -2.109 12.749 12.749
170 3HG1 VAL 24 HG12 VAL 24 -3.053 11.749 11.749
171 1HG2 VAL 24 HG22 VAL 24 -4.338 12.474 12.474
172 2HG2 VAL 24 HG23 VAL 24 -3.553 13.769 13.769
173 3HG2 VAL 24 HG21 VAL 24 -2.609 12.355 12.355
174 H SER 25 HN SER 25 -5.603 10.948 10.948
175 HA SER 25 HA SER 25 -8.293 10.797 10.797
176 1HB SER 25 HB2 SER 25 -8.159 13.018 13.018
177 2HB SER 25 HB3 SER 25 -7.077 12.638 12.638
178 HG SER 25 HG SER 25 -8.906 11.566 11.566
179 H GLU 26 HN GLU 26 -9.973 10.107 10.107
180 HA GLU 26 HA GLU 26 -8.801 8.485 8.485
181 1HB GLU 26 HB2 GLU 26 -10.343 7.366 7.366
182 2HB GLU 26 HB3 GLU 26 -10.424 6.563 6.563
183 1HG GLU 26 HG2 GLU 26 -8.495 5.508 5.508
184 2HG GLU 26 HG3 GLU 26 -7.684 7.036 7.036
185 H LYS 27 HN LYS 27 -11.019 7.155 7.155
186 HA LYS 27 HA LYS 27 -13.275 8.940 8.940
187 1HB LYS 27 HB2 LYS 27 -11.818 10.058 10.058
188 2HB LYS 27 HB3 LYS 27 -11.614 8.567 8.567
189 1HG LYS 27 HG2 LYS 27 -13.799 8.605 8.605
190 2HG LYS 27 HG3 LYS 27 -14.433 9.503 9.503
191 1HD LYS 27 HD2 LYS 27 -14.208 10.774 10.774
192 2HD LYS 27 HD3 LYS 27 -13.610 11.581 11.581
193 1HE LYS 27 HE2 LYS 27 -11.304 10.987 10.987
194 2HE LYS 27 HE3 LYS 27 -11.809 9.902 9.902
195 1HZ LYS 27 HZ1 LYS 27 -12.907 12.052 12.052
196 2HZ LYS 27 HZ2 LYS 27 -11.785 12.802 12.802
197 3HZ LYS 27 HZ3 LYS 27 -11.320 11.770 11.770
198 H GLU 28 HN GLU 28 -14.997 7.617 7.617
199 HA GLU 28 HA GLU 28 -14.656 4.866 4.866
200 1HB GLU 28 HB2 GLU 28 -15.973 5.419 5.419
201 2HB GLU 28 HB3 GLU 28 -16.986 6.525 6.525
202 1HG GLU 28 HG2 GLU 28 -17.476 4.306 4.306
203 2HG GLU 28 HG3 GLU 28 -17.023 3.513 3.513
204 H VAL 29 HN VAL 29 -14.414 4.532 4.532
205 HA VAL 29 HA VAL 29 -16.546 5.620 5.620
206 HB VAL 29 HB VAL 29 -14.947 5.034 5.034
207 1HG1 VAL 29 HG13 VAL 29 -15.155 7.290 7.290
208 2HG1 VAL 29 HG11 VAL 29 -13.425 6.924 6.924
209 3HG1 VAL 29 HG12 VAL 29 -14.107 7.135 7.135
210 1HG2 VAL 29 HG23 VAL 29 -13.596 3.650 3.650
211 2HG2 VAL 29 HG21 VAL 29 -13.009 3.978 3.978
212 3HG2 VAL 29 HG22 VAL 29 -12.579 5.076 5.076
213 H ASP 30 HN ASP 30 -18.219 4.224 4.224
214 HA ASP 30 HA ASP 30 -18.145 1.590 1.590
215 1HB ASP 30 HB2 ASP 30 -19.897 2.503 2.503
216 2HB ASP 30 HB3 ASP 30 -20.306 1.456 1.456
217 H SER 31 HN SER 31 -18.210 -0.379 -0.379
218 HA SER 31 HA SER 31 -17.120 0.061 0.061
219 1HB SER 31 HB2 SER 31 -15.059 -0.442 -0.442
220 2HB SER 31 HB3 SER 31 -15.741 -1.290 -1.290
221 HG SER 31 HG SER 31 -14.681 -2.367 -2.367
222 H GLY 32 HN GLY 32 -19.714 -0.847 -0.847
223 1HA GLY 32 HA1 GLY 32 -21.388 -2.251 -2.251
224 2HA GLY 32 HA2 GLY 32 -20.368 -2.944 -2.944
225 H ASN 33 HN ASN 33 -21.828 -4.815 -4.815
226 HA ASN 33 HA ASN 33 -20.603 -5.786 -5.786
227 1HB ASN 33 HB2 ASN 33 -22.499 -7.379 -7.379
228 2HB ASN 33 HB3 ASN 33 -22.319 -7.465 -7.465
229 1HD2 ASN 33 HD22 ASN 33 -24.437 -4.793 -4.793
230 2HD2 ASN 33 HD21 ASN 33 -23.206 -5.890 -5.890
231 H ASP 34 HN ASP 34 -19.833 -8.200 -8.200
232 HA ASP 34 HA ASP 34 -18.110 -8.536 -8.536
233 1HB ASP 34 HB2 ASP 34 -17.548 -8.743 -8.743
234 2HB ASP 34 HB3 ASP 34 -18.124 -10.383 -10.383
235 H ILE 35 HN ILE 35 -17.751 -11.430 -11.430
236 HA ILE 35 HA ILE 35 -20.097 -12.307 -12.307
237 HB ILE 35 HB ILE 35 -17.557 -13.746 -13.746
238 1HG1 ILE 35 HG12 ILE 35 -17.081 -13.429 -13.429
239 2HG1 ILE 35 HG13 ILE 35 -18.371 -12.242 -12.242
240 1HG2 ILE 35 HG21 ILE 35 -20.031 -14.623 -14.623
241 2HG2 ILE 35 HG22 ILE 35 -18.500 -15.085 -15.085
242 3HG2 ILE 35 HG23 ILE 35 -18.817 -15.557 -15.557
243 1HD1 ILE 35 HD13 ILE 35 -16.214 -12.040 -12.040
244 2HD1 ILE 35 HD11 ILE 35 -15.875 -11.481 -11.481
245 3HD1 ILE 35 HD12 ILE 35 -17.204 -10.750 -10.750
246 H TYR 36 HN TYR 36 -19.498 -11.774 -11.774
247 HA TYR 36 HA TYR 36 -20.935 -14.192 -14.192
248 1HB TYR 36 HB2 TYR 36 -18.582 -13.107 -13.107
249 2HB TYR 36 HB3 TYR 36 -19.672 -12.096 -12.096
250 HD1 TYR 36 HD1 TYR 36 -18.558 -15.585 -15.585
251 HD2 TYR 36 HD2 TYR 36 -20.844 -12.951 -12.951
252 HE1 TYR 36 HE1 TYR 36 -18.749 -17.402 -17.402
253 HE2 TYR 36 HE2 TYR 36 -21.028 -14.776 -14.776
254 HH TYR 36 HH TYR 36 -19.089 -17.356 -17.356
255 H GLY 37 HN GLY 37 -21.539 -11.063 -11.063
256 1HA GLY 37 HA1 GLY 37 -23.572 -10.000 -10.000
257 2HA GLY 37 HA2 GLY 37 -24.058 -11.010 -11.010
258 H ASN 38 HN ASN 38 -21.038 -10.201 -10.201
259 HA ASN 38 HA ASN 38 -22.028 -8.223 -8.223
260 1HB ASN 38 HB2 ASN 38 -19.526 -8.196 -8.196
261 2HB ASN 38 HB3 ASN 38 -20.395 -9.704 -9.704
262 1HD2 ASN 38 HD22 ASN 38 -17.108 -10.444 -10.444
263 2HD2 ASN 38 HD21 ASN 38 -17.700 -9.716 -9.716
264 HA PRO 39 HA PRO 39 -20.586 -4.754 -4.754
265 1HB PRO 39 HB2 PRO 39 -20.178 -2.907 -2.907
266 2HB PRO 39 HB3 PRO 39 -21.762 -3.283 -3.283
267 1HG PRO 39 HG2 PRO 39 -20.584 -4.081 -4.081
268 2HG PRO 39 HG3 PRO 39 -22.268 -4.074 -4.074
269 1HD PRO 39 HD2 PRO 39 -20.551 -6.363 -6.363
270 2HD PRO 39 HD3 PRO 39 -22.199 -6.339 -6.339
271 H ILE 40 HN ILE 40 -18.793 -4.255 -4.255
272 HA ILE 40 HA ILE 40 -16.360 -5.260 -5.260
273 HB ILE 40 HB ILE 40 -17.050 -3.443 -3.443
274 1HG1 ILE 40 HG12 ILE 40 -16.394 -6.399 -6.399
275 2HG1 ILE 40 HG13 ILE 40 -17.961 -5.695 -5.695
276 1HG2 ILE 40 HG23 ILE 40 -14.387 -4.526 -4.526
277 2HG2 ILE 40 HG21 ILE 40 -14.716 -4.163 -4.163
278 3HG2 ILE 40 HG22 ILE 40 -14.825 -2.872 -2.872
279 1HD1 ILE 40 HD13 ILE 40 -16.298 -4.445 -4.445
280 2HD1 ILE 40 HD11 ILE 40 -15.652 -6.101 -6.101
281 3HD1 ILE 40 HD12 ILE 40 -17.364 -5.833 -5.833
282 H LYS 41 HN LYS 41 -16.888 -1.824 -1.824
283 HA LYS 41 HA LYS 41 -16.331 0.083 0.083
284 1HB LYS 41 HB2 LYS 41 -17.669 -0.685 -0.685
285 2HB LYS 41 HB3 LYS 41 -16.278 -1.509 -1.509
286 1HG LYS 41 HG2 LYS 41 -16.440 0.620 0.620
287 2HG LYS 41 HG3 LYS 41 -15.059 0.723 0.723
288 1HD LYS 41 HD2 LYS 41 -16.268 2.768 2.768
289 2HD LYS 41 HD3 LYS 41 -16.616 1.795 1.795
290 1HE LYS 41 HE2 LYS 41 -18.727 0.973 0.973
291 2HE LYS 41 HE3 LYS 41 -18.414 2.260 2.260
292 1HZ LYS 41 HZ2 LYS 41 -18.259 3.238 3.238
293 2HZ LYS 41 HZ3 LYS 41 -19.690 2.482 2.482
294 3HZ LYS 41 HZ1 LYS 41 -19.249 3.705 3.705
295 H ARG 42 HN ARG 42 -14.426 1.095 1.095
296 HA ARG 42 HA ARG 42 -12.056 -0.314 -0.314
297 1HB ARG 42 HB2 ARG 42 -11.180 1.093 1.093
298 2HB ARG 42 HB3 ARG 42 -11.514 -0.627 -0.627
299 1HG ARG 42 HG2 ARG 42 -13.960 -0.057 -0.057
300 2HG ARG 42 HG3 ARG 42 -13.437 1.592 1.592
301 1HD ARG 42 HD2 ARG 42 -11.616 0.400 0.400
302 2HD ARG 42 HD3 ARG 42 -12.794 -0.898 -0.898
303 HE ARG 42 HE ARG 42 -14.052 1.672 1.672
304 1HH1 ARG 42 HH22 ARG 42 -12.180 -0.895 -0.895
305 2HH1 ARG 42 HH21 ARG 42 -12.762 -0.554 -0.554
306 1HH2 ARG 42 HH12 ARG 42 -14.821 2.122 2.122
307 2HH2 ARG 42 HH11 ARG 42 -14.274 1.173 1.173
308 H ILE 43 HN ILE 43 -12.644 1.332 1.332
309 HA ILE 43 HA ILE 43 -12.704 3.987 3.987
310 HB ILE 43 HB ILE 43 -11.940 2.022 2.022
311 1HG1 ILE 43 HG12 ILE 43 -12.743 4.011 4.011
312 2HG1 ILE 43 HG13 ILE 43 -13.189 4.757 4.757
313 1HG2 ILE 43 HG21 ILE 43 -9.687 3.087 3.087
314 2HG2 ILE 43 HG22 ILE 43 -10.413 4.619 4.619
315 3HG2 ILE 43 HG23 ILE 43 -10.394 3.211 3.211
316 1HD1 ILE 43 HD13 ILE 43 -14.141 2.133 2.133
317 2HD1 ILE 43 HD11 ILE 43 -14.469 2.530 2.530
318 3HD1 ILE 43 HD12 ILE 43 -15.118 3.564 3.564
319 H GLN 44 HN GLN 44 -11.195 5.760 5.760
320 HA GLN 44 HA GLN 44 -8.933 5.124 5.124
321 1HB GLN 44 HB2 GLN 44 -10.266 7.741 7.741
322 2HB GLN 44 HB3 GLN 44 -8.785 7.690 7.690
323 1HG GLN 44 HG2 GLN 44 -11.541 6.688 6.688
324 2HG GLN 44 HG3 GLN 44 -10.511 7.817 7.817
325 1HE2 GLN 44 HE21 GLN 44 -10.975 4.463 4.463
326 2HE2 GLN 44 HE22 GLN 44 -10.017 3.731 3.731
327 H TYR 45 HN TYR 45 -7.002 6.936 6.936
328 HA TYR 45 HA TYR 45 -6.489 6.793 6.793
329 1HB TYR 45 HB2 TYR 45 -5.131 5.505 5.505
330 2HB TYR 45 HB3 TYR 45 -4.025 6.353 6.353
331 HD1 TYR 45 HD2 TYR 45 -5.568 5.796 5.796
332 HD2 TYR 45 HD1 TYR 45 -4.380 3.279 3.279
333 HE1 TYR 45 HE2 TYR 45 -5.535 3.789 3.789
334 HE2 TYR 45 HE1 TYR 45 -4.350 1.280 1.280
335 HH TYR 45 HH TYR 45 -4.694 1.684 1.684
336 H GLU 46 HN GLU 46 -7.235 9.130 9.130
337 HA GLU 46 HA GLU 46 -5.628 10.785 10.785
338 1HB GLU 46 HB2 GLU 46 -8.028 11.102 11.102
339 2HB GLU 46 HB3 GLU 46 -7.089 11.845 11.845
340 1HG GLU 46 HG2 GLU 46 -6.164 13.501 13.501
341 2HG GLU 46 HG3 GLU 46 -6.751 12.646 12.646
342 H ILE 47 HN ILE 47 -3.514 9.719 9.719
343 HA ILE 47 HA ILE 47 -2.625 10.283 10.283
344 HB ILE 47 HB ILE 47 -0.409 9.708 9.708
345 1HG1 ILE 47 HG12 ILE 47 -1.847 10.009 10.009
346 2HG1 ILE 47 HG13 ILE 47 -0.244 10.544 10.544
347 1HG2 ILE 47 HG23 ILE 47 -2.740 8.080 8.080
348 2HG2 ILE 47 HG21 ILE 47 -1.755 7.510 7.510
349 3HG2 ILE 47 HG22 ILE 47 -1.038 7.624 7.624
350 1HD1 ILE 47 HD12 ILE 47 -0.010 7.798 7.798
351 2HD1 ILE 47 HD13 ILE 47 -1.117 7.934 7.934
352 3HD1 ILE 47 HD11 ILE 47 0.483 8.712 8.712
353 H LYS 48 HN LYS 48 -0.157 11.535 11.535
354 HA LYS 48 HA LYS 48 -0.838 14.182 14.182
355 1HB LYS 48 HB2 LYS 48 -1.072 13.745 13.745
356 2HB LYS 48 HB3 LYS 48 0.668 13.950 13.950
357 1HG LYS 48 HG2 LYS 48 0.497 16.168 16.168
358 2HG LYS 48 HG3 LYS 48 -1.194 15.949 15.949
359 1HD LYS 48 HD2 LYS 48 -0.521 17.317 17.317
360 2HD LYS 48 HD3 LYS 48 -1.914 16.253 16.253
361 1HE LYS 48 HE2 LYS 48 -0.664 14.496 14.496
362 2HE LYS 48 HE3 LYS 48 0.866 15.298 15.298
363 1HZ LYS 48 HZ2 LYS 48 -0.050 17.155 17.155
364 2HZ LYS 48 HZ3 LYS 48 -1.267 16.159 16.159
365 3HZ LYS 48 HZ1 LYS 48 0.276 15.777 15.777
366 H GLN 49 HN GLN 49 0.945 11.595 11.595
367 HA GLN 49 HA GLN 49 2.986 11.145 11.145
368 1HB GLN 49 HB2 GLN 49 2.569 12.109 12.109
369 2HB GLN 49 HB3 GLN 49 2.169 13.670 13.670
370 1HG GLN 49 HG2 GLN 49 4.285 13.790 13.790
371 2HG GLN 49 HG3 GLN 49 4.562 14.150 14.150
372 1HE2 GLN 49 HE22 GLN 49 5.563 10.335 10.335
373 2HE2 GLN 49 HE21 GLN 49 4.087 11.104 11.104
374 H ILE 50 HN ILE 50 4.627 10.935 10.935
375 HA ILE 50 HA ILE 50 5.795 13.435 13.435
376 HB ILE 50 HB ILE 50 5.750 12.682 12.682
377 1HG1 ILE 50 HG12 ILE 50 6.647 10.060 10.060
378 2HG1 ILE 50 HG13 ILE 50 7.499 11.142 11.142
379 1HG2 ILE 50 HG22 ILE 50 3.452 12.085 12.085
380 2HG2 ILE 50 HG23 ILE 50 3.962 10.407 10.407
381 3HG2 ILE 50 HG21 ILE 50 3.820 11.555 11.555
382 1HD1 ILE 50 HD13 ILE 50 5.003 9.552 9.552
383 2HD1 ILE 50 HD11 ILE 50 6.673 9.099 9.099
384 3HD1 ILE 50 HD12 ILE 50 5.957 10.583 10.583
385 H LYS 51 HN LYS 51 6.217 10.327 10.327
386 HA LYS 51 HA LYS 51 8.867 11.100 11.100
387 1HB LYS 51 HB2 LYS 51 8.639 9.582 9.582
388 2HB LYS 51 HB3 LYS 51 9.072 8.421 8.421
389 1HG LYS 51 HG2 LYS 51 11.110 9.490 9.490
390 2HG LYS 51 HG3 LYS 51 10.552 11.053 11.053
391 1HD LYS 51 HD2 LYS 51 10.395 9.512 9.512
392 2HD LYS 51 HD3 LYS 51 11.806 8.838 8.838
393 1HE LYS 51 HE2 LYS 51 12.668 11.239 11.239
394 2HE LYS 51 HE3 LYS 51 11.343 11.767 11.767
395 1HZ LYS 51 HZ3 LYS 51 13.211 9.686 9.686
396 2HZ LYS 51 HZ1 LYS 51 13.501 11.271 11.271
397 3HZ LYS 51 HZ2 LYS 51 12.186 10.563 10.563
398 H MET 52 HN MET 52 9.803 9.350 9.350
399 HA MET 52 HA MET 52 7.710 7.731 7.731
400 1HB MET 52 HB2 MET 52 8.357 8.666 8.666
401 2HB MET 52 HB3 MET 52 7.453 9.769 9.769
402 1HG MET 52 HG2 MET 52 9.556 10.895 10.895
403 2HG MET 52 HG3 MET 52 10.503 9.753 9.753
404 1HE MET 52 HE2 MET 52 10.189 9.375 9.375
405 2HE MET 52 HE3 MET 52 10.310 10.852 10.852
406 3HE MET 52 HE1 MET 52 11.461 10.573 10.573
407 H PHE 53 HN PHE 53 9.340 6.245 6.245
408 HA PHE 53 HA PHE 53 11.906 5.865 5.865
409 1HB PHE 53 HB2 PHE 53 9.477 4.140 4.140
410 2HB PHE 53 HB3 PHE 53 10.854 3.280 3.280
411 HD1 PHE 53 HD2 PHE 53 13.136 4.401 4.401
412 HD2 PHE 53 HD1 PHE 53 9.260 3.581 3.581
413 HE1 PHE 53 HE2 PHE 53 14.092 4.164 4.164
414 HE2 PHE 53 HE1 PHE 53 10.216 3.345 3.345
415 HZ PHE 53 HZ PHE 53 12.620 3.640 3.640
416 H LYS 54 HN LYS 54 9.653 3.790 3.790
417 HA LYS 54 HA LYS 54 11.254 4.456 4.456
418 1HB LYS 54 HB2 LYS 54 12.098 2.351 2.351
419 2HB LYS 54 HB3 LYS 54 10.505 1.732 1.732
420 1HG LYS 54 HG2 LYS 54 11.523 0.934 0.934
421 2HG LYS 54 HG3 LYS 54 9.882 1.544 1.544
422 1HD LYS 54 HD2 LYS 54 11.925 3.663 3.663
423 2HD LYS 54 HD3 LYS 54 12.013 2.417 2.417
424 1HE LYS 54 HE2 LYS 54 9.243 2.927 2.927
425 2HE LYS 54 HE3 LYS 54 9.987 4.512 4.512
426 1HZ LYS 54 HZ1 LYS 54 11.282 3.219 3.219
427 2HZ LYS 54 HZ2 LYS 54 9.707 2.842 2.842
428 3HZ LYS 54 HZ3 LYS 54 10.173 4.407 4.407
429 H GLY 55 HN GLY 55 9.459 6.044 6.044
430 1HA GLY 55 HA1 GLY 55 7.123 4.698 4.698
431 2HA GLY 55 HA2 GLY 55 6.953 6.096 6.096
432 HA PRO 56 HA PRO 56 7.442 7.701 7.701
433 1HB PRO 56 HB2 PRO 56 5.224 9.297 9.297
434 2HB PRO 56 HB3 PRO 56 5.235 7.657 7.657
435 1HG PRO 56 HG2 PRO 56 4.074 8.680 8.680
436 2HG PRO 56 HG3 PRO 56 3.739 7.175 7.175
437 1HD PRO 56 HD2 PRO 56 5.354 7.517 7.517
438 2HD PRO 56 HD3 PRO 56 5.112 6.032 6.032
439 H GLU 57 HN GLU 57 7.084 10.239 10.239
440 HA GLU 57 HA GLU 57 8.943 11.474 11.474
441 1HB GLU 57 HB2 GLU 57 7.759 12.935 12.935
442 2HB GLU 57 HB3 GLU 57 9.403 12.955 12.955
443 1HG GLU 57 HG2 GLU 57 9.511 10.451 10.451
444 2HG GLU 57 HG3 GLU 57 8.044 10.781 10.781
445 H LYS 58 HN LYS 58 5.516 11.788 11.788
446 HA LYS 58 HA LYS 58 5.125 14.242 14.242
447 1HB LYS 58 HB2 LYS 58 3.809 13.568 13.568
448 2HB LYS 58 HB3 LYS 58 3.123 12.234 12.234
449 1HG LYS 58 HG2 LYS 58 1.475 13.701 13.701
450 2HG LYS 58 HG3 LYS 58 2.638 14.348 14.348
451 1HD LYS 58 HD2 LYS 58 2.645 15.342 15.342
452 2HD LYS 58 HD3 LYS 58 1.451 15.959 15.959
453 1HE LYS 58 HE2 LYS 58 3.790 16.131 16.131
454 2HE LYS 58 HE3 LYS 58 4.375 16.471 16.471
455 1HZ LYS 58 HZ3 LYS 58 2.480 18.075 18.075
456 2HZ LYS 58 HZ1 LYS 58 2.269 17.887 17.887
457 3HZ LYS 58 HZ2 LYS 58 3.674 18.489 18.489
458 H ASP 59 HN ASP 59 3.153 11.304 11.304
459 HA ASP 59 HA ASP 59 3.990 10.326 10.326
460 1HB ASP 59 HB2 ASP 59 4.324 12.306 12.306
461 2HB ASP 59 HB3 ASP 59 2.914 13.093 13.093
462 H ILE 60 HN ILE 60 2.113 9.426 9.426
463 HA ILE 60 HA ILE 60 -0.396 9.499 9.499
464 HB ILE 60 HB ILE 60 0.368 7.115 7.115
465 1HG1 ILE 60 HG12 ILE 60 2.300 7.960 7.960
466 2HG1 ILE 60 HG13 ILE 60 1.912 6.259 6.259
467 1HG2 ILE 60 HG22 ILE 60 -1.767 7.813 7.813
468 2HG2 ILE 60 HG23 ILE 60 -0.789 6.716 6.716
469 3HG2 ILE 60 HG21 ILE 60 -1.364 6.184 6.184
470 1HD1 ILE 60 HD11 ILE 60 0.422 7.849 7.849
471 2HD1 ILE 60 HD12 ILE 60 2.107 7.376 7.376
472 3HD1 ILE 60 HD13 ILE 60 0.879 6.129 6.129
473 H GLU 61 HN GLU 61 -0.895 11.389 11.389
474 HA GLU 61 HA GLU 61 -1.030 11.004 11.004
475 1HB GLU 61 HB2 GLU 61 -1.418 13.142 13.142
476 2HB GLU 61 HB3 GLU 61 -2.857 13.062 13.062
477 1HG GLU 61 HG2 GLU 61 -0.867 12.739 12.739
478 2HG GLU 61 HG3 GLU 61 -0.073 13.798 13.798
479 H PHE 62 HN PHE 62 -2.809 9.613 9.613
480 HA PHE 62 HA PHE 62 -5.040 9.141 9.141
481 1HB PHE 62 HB2 PHE 62 -4.933 10.202 10.202
482 2HB PHE 62 HB3 PHE 62 -6.197 9.032 9.032
483 HD1 PHE 62 HD1 PHE 62 -7.945 9.537 9.537
484 HD2 PHE 62 HD2 PHE 62 -5.072 12.432 12.432
485 HE1 PHE 62 HE1 PHE 62 -9.381 11.355 11.355
486 HE2 PHE 62 HE2 PHE 62 -6.509 14.249 14.249
487 HZ PHE 62 HZ PHE 62 -8.646 13.690 13.690
488 H ILE 63 HN ILE 63 -4.256 7.065 7.065
489 HA ILE 63 HA ILE 63 -3.777 5.240 5.240
490 HB ILE 63 HB ILE 63 -3.420 4.562 4.562
491 1HG1 ILE 63 HG12 ILE 63 -2.231 6.827 6.827
492 2HG1 ILE 63 HG13 ILE 63 -1.780 6.021 6.021
493 1HG2 ILE 63 HG22 ILE 63 -2.153 3.681 3.681
494 2HG2 ILE 63 HG23 ILE 63 -1.503 3.254 3.254
495 3HG2 ILE 63 HG21 ILE 63 -3.137 2.724 2.724
496 1HD1 ILE 63 HD11 ILE 63 -0.743 5.155 5.155
497 2HD1 ILE 63 HD12 ILE 63 0.115 6.296 6.296
498 3HD1 ILE 63 HD13 ILE 63 -0.160 4.619 4.619
499 H TYR 64 HN TYR 64 -4.695 2.940 2.940
500 HA TYR 64 HA TYR 64 -7.460 3.217 3.217
501 1HB TYR 64 HB2 TYR 64 -6.062 1.925 1.925
502 2HB TYR 64 HB3 TYR 64 -7.546 1.191 1.191
503 HD1 TYR 64 HD1 TYR 64 -6.149 4.461 4.461
504 HD2 TYR 64 HD2 TYR 64 -9.623 2.002 2.002
505 HE1 TYR 64 HE1 TYR 64 -7.505 6.127 6.127
506 HE2 TYR 64 HE2 TYR 64 -10.968 3.677 3.677
507 HH TYR 64 HH TYR 64 -10.130 5.517 5.517
508 H THR 65 HN THR 65 -8.402 1.429 1.429
509 HA THR 65 HA THR 65 -6.962 -0.991 -0.991
510 HB THR 65 HB THR 65 -5.573 0.488 0.488
511 HG1 THR 65 HG1 THR 65 -6.135 -0.760 -0.760
512 1HG2 THR 65 HG23 THR 65 -8.301 1.251 1.251
513 2HG2 THR 65 HG21 THR 65 -6.910 1.208 1.208
514 3HG2 THR 65 HG22 THR 65 -6.889 2.292 2.292
515 H ALA 66 HN ALA 66 -8.087 -1.868 -1.868
516 HA ALA 66 HA ALA 66 -10.900 -1.886 -1.886
517 1HB ALA 66 HB1 ALA 66 -8.983 -3.852 -3.852
518 2HB ALA 66 HB2 ALA 66 -10.377 -3.803 -3.803
519 3HB ALA 66 HB3 ALA 66 -10.628 -4.097 -4.097
520 HA PRO 67 HA PRO 67 -12.020 0.277 0.277
521 1HB PRO 67 HB2 PRO 67 -14.582 -0.588 -0.588
522 2HB PRO 67 HB3 PRO 67 -14.155 0.629 0.629
523 1HG PRO 67 HG2 PRO 67 -14.873 -2.206 -2.206
524 2HG PRO 67 HG3 PRO 67 -14.862 -0.890 -0.890
525 1HD PRO 67 HD2 PRO 67 -12.903 -2.970 -2.970
526 2HD PRO 67 HD3 PRO 67 -12.834 -1.591 -1.591
527 H SER 68 HN SER 68 -13.737 -0.370 -0.370
528 HA SER 68 HA SER 68 -13.583 -1.231 -1.231
529 1HB SER 68 HB2 SER 68 -13.377 -3.549 -3.549
530 2HB SER 68 HB3 SER 68 -12.790 -3.882 -3.882
531 HG SER 68 HG SER 68 -15.169 -4.225 -4.225
532 H SER 69 HN SER 69 -11.971 -2.956 -2.956
533 HA SER 69 HA SER 69 -9.763 -1.540 -1.540
534 1HB SER 69 HB2 SER 69 -10.343 -3.222 -3.222
535 2HB SER 69 HB3 SER 69 -10.424 -4.471 -4.471
536 HG SER 69 HG SER 69 -8.386 -4.939 -4.939
537 H ALA 70 HN ALA 70 -10.066 -4.310 -4.310
538 HA ALA 70 HA ALA 70 -8.514 -3.475 -3.475
539 1HB ALA 70 HB2 ALA 70 -6.836 -4.006 -4.006
540 2HB ALA 70 HB3 ALA 70 -6.289 -4.837 -4.837
541 3HB ALA 70 HB1 ALA 70 -6.475 -3.067 -3.067
542 H VAL 71 HN VAL 71 -9.685 -4.884 -4.884
543 HA VAL 71 HA VAL 71 -9.544 -7.717 -7.717
544 HB VAL 71 HB VAL 71 -11.651 -7.938 -7.938
545 1HG1 VAL 71 HG12 VAL 71 -11.596 -5.810 -5.810
546 2HG1 VAL 71 HG13 VAL 71 -11.794 -4.916 -4.916
547 3HG1 VAL 71 HG11 VAL 71 -13.045 -6.069 -6.069
548 1HG2 VAL 71 HG21 VAL 71 -10.916 -6.113 -6.113
549 2HG2 VAL 71 HG22 VAL 71 -11.276 -7.856 -7.856
550 3HG2 VAL 71 HG23 VAL 71 -12.581 -6.683 -6.683
551 H CYS 72 HN CYS 72 -9.068 -5.318 -5.318
552 HA CYS 72 HA CYS 72 -7.477 -7.374 -7.374
553 1HB CYS 72 HB2 CYS 72 -9.091 -5.251 -5.251
554 2HB CYS 72 HB3 CYS 72 -8.179 -6.561 -6.561
555 H GLY 73 HN GLY 73 -6.873 -5.209 -5.209
556 1HA GLY 73 HA1 GLY 73 -4.590 -4.095 -4.095
557 2HA GLY 73 HA2 GLY 73 -5.827 -2.894 -2.894
558 H VAL 74 HN VAL 74 -4.228 -1.880 -1.880
559 HA VAL 74 HA VAL 74 -4.053 -3.329 -3.329
560 HB VAL 74 HB VAL 74 -2.244 -1.273 -1.273
561 1HG1 VAL 74 HG11 VAL 74 -2.195 -2.416 -2.416
562 2HG1 VAL 74 HG12 VAL 74 -0.828 -1.564 -1.564
563 3HG1 VAL 74 HG13 VAL 74 -2.364 -0.710 -0.710
564 1HG2 VAL 74 HG21 VAL 74 -2.214 -3.858 -3.858
565 2HG2 VAL 74 HG22 VAL 74 -0.699 -2.955 -2.955
566 3HG2 VAL 74 HG23 VAL 74 -1.352 -3.952 -3.952
567 H SER 75 HN SER 75 -5.749 -0.958 -0.958
568 HA SER 75 HA SER 75 -6.703 0.960 0.960
569 1HB SER 75 HB2 SER 75 -7.829 -1.260 -1.260
570 2HB SER 75 HB3 SER 75 -7.728 -0.086 -0.086
571 HG SER 75 HG SER 75 -8.742 1.452 1.452
572 H LEU 76 HN LEU 76 -4.784 2.281 2.281
573 HA LEU 76 HA LEU 76 -4.139 2.551 2.551
574 1HB LEU 76 HB2 LEU 76 -2.530 3.962 3.962
575 2HB LEU 76 HB3 LEU 76 -2.038 3.116 3.116
576 HG LEU 76 HG LEU 76 -2.830 1.008 1.008
577 1HD1 LEU 76 HD12 LEU 76 -3.020 3.016 3.016
578 2HD1 LEU 76 HD13 LEU 76 -1.374 2.406 2.406
579 3HD1 LEU 76 HD11 LEU 76 -2.762 1.295 1.295
580 1HD2 LEU 76 HD23 LEU 76 -0.374 2.173 2.173
581 2HD2 LEU 76 HD21 LEU 76 -0.752 0.466 0.466
582 3HD2 LEU 76 HD22 LEU 76 -0.139 1.515 1.515
583 H ASP 77 HN ASP 77 -4.648 4.383 4.383
584 HA ASP 77 HA ASP 77 -5.969 6.444 6.444
585 1HB ASP 77 HB2 ASP 77 -6.774 7.010 7.010
586 2HB ASP 77 HB3 ASP 77 -7.634 5.888 5.888
587 H VAL 78 HN VAL 78 -3.178 5.603 5.603
588 HA VAL 78 HA VAL 78 -1.391 6.771 6.771
589 HB VAL 78 HB VAL 78 -2.975 8.896 8.896
590 1HG1 VAL 78 HG12 VAL 78 -0.757 9.378 9.378
591 2HG1 VAL 78 HG13 VAL 78 -0.828 10.366 10.366
592 3HG1 VAL 78 HG11 VAL 78 -2.205 10.351 10.351
593 1HG2 VAL 78 HG22 VAL 78 -0.206 7.708 7.708
594 2HG2 VAL 78 HG23 VAL 78 -1.649 7.420 7.420
595 3HG2 VAL 78 HG21 VAL 78 -0.879 9.025 9.025
596 H GLY 79 HN GLY 79 -4.593 7.313 7.313
597 1HA GLY 79 HA1 GLY 79 -3.939 9.031 9.031
598 2HA GLY 79 HA2 GLY 79 -5.431 8.151 8.151
599 H GLY 80 HN GLY 80 -3.378 5.691 5.691
600 1HA GLY 80 HA1 GLY 80 -3.013 5.147 5.147
601 2HA GLY 80 HA2 GLY 80 -3.715 3.973 3.973
602 H LYS 81 HN LYS 81 -1.835 5.069 5.069
603 HA LYS 81 HA LYS 81 0.482 3.501 3.501
604 1HB LYS 81 HB2 LYS 81 0.635 3.834 3.834
605 2HB LYS 81 HB3 LYS 81 0.134 2.395 2.395
606 1HG LYS 81 HG2 LYS 81 -1.791 4.654 4.654
607 2HG LYS 81 HG3 LYS 81 -1.521 3.273 3.273
608 1HD LYS 81 HD2 LYS 81 -2.705 1.839 1.839
609 2HD LYS 81 HD3 LYS 81 -2.091 2.559 2.559
610 1HE LYS 81 HE2 LYS 81 -3.935 3.871 3.871
611 2HE LYS 81 HE3 LYS 81 -3.805 4.463 4.463
612 1HZ LYS 81 HZ1 LYS 81 -4.740 1.749 1.749
613 2HZ LYS 81 HZ2 LYS 81 -5.766 2.943 2.943
614 3HZ LYS 81 HZ3 LYS 81 -5.193 2.877 2.877
615 H LYS 82 HN LYS 82 0.547 5.654 5.654
616 HA LYS 82 HA LYS 82 1.296 8.030 8.030
617 1HB LYS 82 HB2 LYS 82 3.852 7.834 7.834
618 2HB LYS 82 HB3 LYS 82 2.927 7.319 7.319
619 1HG LYS 82 HG2 LYS 82 3.100 5.027 5.027
620 2HG LYS 82 HG3 LYS 82 4.698 5.748 5.748
621 1HD LYS 82 HD2 LYS 82 5.126 5.000 5.000
622 2HD LYS 82 HD3 LYS 82 3.710 5.822 5.822
623 1HE LYS 82 HE2 LYS 82 2.418 3.913 3.913
624 2HE LYS 82 HE3 LYS 82 3.096 3.350 3.350
625 1HZ LYS 82 HZ3 LYS 82 5.149 3.217 3.217
626 2HZ LYS 82 HZ1 LYS 82 3.861 2.695 2.695
627 3HZ LYS 82 HZ2 LYS 82 4.261 1.959 1.959
628 H GLU 83 HN GLU 83 2.970 5.476 5.476
629 HA GLU 83 HA GLU 83 2.052 6.641 6.641
630 1HB GLU 83 HB2 GLU 83 4.756 6.939 6.939
631 2HB GLU 83 HB3 GLU 83 3.627 8.245 8.245
632 1HG GLU 83 HG2 GLU 83 5.572 8.520 8.520
633 2HG GLU 83 HG3 GLU 83 4.169 8.145 8.145
634 H TYR 84 HN TYR 84 3.280 5.539 5.539
635 HA TYR 84 HA TYR 84 4.525 3.030 3.030
636 1HB TYR 84 HB2 TYR 84 2.728 1.821 1.821
637 2HB TYR 84 HB3 TYR 84 2.093 2.520 2.520
638 HD1 TYR 84 HD2 TYR 84 2.674 3.594 3.594
639 HD2 TYR 84 HD1 TYR 84 0.060 3.611 3.611
640 HE1 TYR 84 HE2 TYR 84 0.930 4.866 4.866
641 HE2 TYR 84 HE1 TYR 84 -1.675 4.883 4.883
642 HH TYR 84 HH TYR 84 -2.156 5.014 5.014
643 H LEU 85 HN LEU 85 5.540 1.975 1.975
644 HA LEU 85 HA LEU 85 6.249 3.898 3.898
645 1HB LEU 85 HB2 LEU 85 7.858 2.127 2.127
646 2HB LEU 85 HB3 LEU 85 8.047 2.729 2.729
647 HG LEU 85 HG LEU 85 8.214 0.164 0.164
648 1HD1 LEU 85 HD12 LEU 85 7.961 1.617 1.617
649 2HD1 LEU 85 HD13 LEU 85 6.539 0.554 0.554
650 3HD1 LEU 85 HD11 LEU 85 8.164 -0.150 -0.150
651 1HD2 LEU 85 HD21 LEU 85 6.069 -0.047 -0.047
652 2HD2 LEU 85 HD22 LEU 85 6.102 -1.040 -1.040
653 3HD2 LEU 85 HD23 LEU 85 5.221 0.507 0.507
654 H ILE 86 HN ILE 86 3.603 2.014 2.014
655 HA ILE 86 HA ILE 86 2.585 0.473 0.473
656 HB ILE 86 HB ILE 86 2.042 3.302 3.302
657 1HG1 ILE 86 HG12 ILE 86 -0.209 2.594 2.594
658 2HG1 ILE 86 HG13 ILE 86 0.111 1.004 1.004
659 1HG2 ILE 86 HG23 ILE 86 1.689 1.753 1.753
660 2HG2 ILE 86 HG21 ILE 86 0.490 2.983 2.983
661 3HG2 ILE 86 HG22 ILE 86 2.197 3.441 3.441
662 1HD1 ILE 86 HD11 ILE 86 1.921 1.562 1.562
663 2HD1 ILE 86 HD12 ILE 86 0.220 1.747 1.747
664 3HD1 ILE 86 HD13 ILE 86 0.782 0.212 0.212
665 H ALA 87 HN ALA 87 3.716 -0.927 -0.927
666 HA ALA 87 HA ALA 87 4.655 0.183 0.183
667 1HB ALA 87 HB2 ALA 87 6.133 -1.295 -1.295
668 2HB ALA 87 HB3 ALA 87 6.342 -1.934 -1.934
669 3HB ALA 87 HB1 ALA 87 6.738 -0.234 -0.234
670 H GLY 88 HN GLY 88 3.248 -0.599 -0.599
671 1HA GLY 88 HA1 GLY 88 2.730 -3.492 -3.492
672 2HA GLY 88 HA2 GLY 88 1.371 -2.387 -2.387
673 H LYS 89 HN LYS 89 1.467 -4.044 -4.044
674 HA LYS 89 HA LYS 89 3.064 -3.515 -3.515
675 1HB LYS 89 HB2 LYS 89 1.265 -4.387 -4.387
676 2HB LYS 89 HB3 LYS 89 1.403 -5.314 -5.314
677 1HG LYS 89 HG2 LYS 89 -0.403 -3.213 -3.213
678 2HG LYS 89 HG3 LYS 89 -0.859 -3.738 -3.738
679 1HD LYS 89 HD2 LYS 89 -1.479 -5.865 -5.865
680 2HD LYS 89 HD3 LYS 89 -0.286 -5.910 -5.910
681 1HE LYS 89 HE2 LYS 89 -1.992 -5.457 -5.457
682 2HE LYS 89 HE3 LYS 89 -1.966 -3.822 -3.822
683 1HZ LYS 89 HZ3 LYS 89 -3.432 -4.864 -4.864
684 2HZ LYS 89 HZ1 LYS 89 -3.737 -6.013 -6.013
685 3HZ LYS 89 HZ2 LYS 89 -4.097 -4.450 -4.450
686 H ALA 90 HN ALA 90 0.551 -1.477 -1.477
687 HA ALA 90 HA ALA 90 0.237 0.721 0.721
688 1HB ALA 90 HB3 ALA 90 2.682 0.553 0.553
689 2HB ALA 90 HB1 ALA 90 1.806 0.823 0.823
690 3HB ALA 90 HB2 ALA 90 1.694 2.018 2.018
691 H GLU 91 HN GLU 91 -0.756 2.232 2.232
692 HA GLU 91 HA GLU 91 -2.302 0.498 0.498
693 1HB GLU 91 HB2 GLU 91 -3.506 1.314 1.314
694 2HB GLU 91 HB3 GLU 91 -3.597 2.864 2.864
695 1HG GLU 91 HG2 GLU 91 -5.635 1.419 1.419
696 2HG GLU 91 HG3 GLU 91 -4.861 1.920 1.920
697 H GLY 92 HN GLY 92 -0.275 3.191 3.191
698 1HA GLY 92 HA1 GLY 92 0.293 3.957 3.957
699 2HA GLY 92 HA2 GLY 92 -1.311 4.654 4.654
700 H ASP 93 HN ASP 93 -1.233 6.809 6.809
701 HA ASP 93 HA ASP 93 0.733 7.624 7.624
702 1HB ASP 93 HB2 ASP 93 -0.169 8.983 8.983
703 2HB ASP 93 HB3 ASP 93 0.559 9.910 9.910
704 H GLY 94 HN GLY 94 -0.040 9.245 9.245
705 1HA GLY 94 HA1 GLY 94 -1.538 10.550 10.550
706 2HA GLY 94 HA2 GLY 94 -2.604 10.482 10.482
707 H LYS 95 HN LYS 95 -1.867 7.287 7.287
708 HA LYS 95 HA LYS 95 -3.235 6.616 6.616
709 1HB LYS 95 HB2 LYS 95 -5.435 6.252 6.252
710 2HB LYS 95 HB3 LYS 95 -5.103 7.731 7.731
711 1HG LYS 95 HG2 LYS 95 -4.952 4.921 4.921
712 2HG LYS 95 HG3 LYS 95 -6.295 6.027 6.027
713 1HD LYS 95 HD2 LYS 95 -3.429 6.678 6.678
714 2HD LYS 95 HD3 LYS 95 -4.624 6.005 6.005
715 1HE LYS 95 HE2 LYS 95 -4.860 8.668 8.668
716 2HE LYS 95 HE3 LYS 95 -4.515 8.473 8.473
717 1HZ LYS 95 HZ3 LYS 95 -6.736 7.061 7.061
718 2HZ LYS 95 HZ1 LYS 95 -7.006 8.182 8.182
719 3HZ LYS 95 HZ2 LYS 95 -6.718 8.650 8.650
720 H MET 96 HN MET 96 -2.971 4.423 4.423
721 HA MET 96 HA MET 96 -2.147 2.840 2.840
722 1HB MET 96 HB2 MET 96 -0.713 2.004 2.004
723 2HB MET 96 HB3 MET 96 -0.041 2.585 2.585
724 1HG MET 96 HG2 MET 96 -0.436 4.962 4.962
725 2HG MET 96 HG3 MET 96 -0.993 4.331 4.331
726 1HE MET 96 HE1 MET 96 0.018 3.372 3.372
727 2HE MET 96 HE2 MET 96 1.627 2.611 2.611
728 3HE MET 96 HE3 MET 96 1.439 4.324 4.324
729 H HIS 97 HN HIS 97 -1.530 0.475 0.475
730 HA HIS 97 HA HIS 97 -4.109 -0.039 -0.039
731 1HB HIS 97 HB2 HIS 97 -3.056 -1.223 -1.223
732 2HB HIS 97 HB3 HIS 97 -3.382 -2.441 -2.441
733 HD1 HIS 97 HD1 HIS 97 -5.236 -2.946 -2.946
734 HD2 HIS 97 HD2 HIS 97 -5.968 0.243 0.243
735 HE1 HIS 97 HE1 HIS 97 -7.725 -2.420 -2.420
736 H ILE 98 HN ILE 98 -3.848 -0.815 -0.815
737 HA ILE 98 HA ILE 98 -1.472 -2.424 -2.424
738 HB ILE 98 HB ILE 98 -0.912 -1.195 -1.195
739 1HG1 ILE 98 HG12 ILE 98 -3.451 0.315 0.315
740 2HG1 ILE 98 HG13 ILE 98 -2.908 -0.433 -0.433
741 1HG2 ILE 98 HG22 ILE 98 -0.365 -0.371 -0.371
742 2HG2 ILE 98 HG23 ILE 98 -1.191 1.082 1.082
743 3HG2 ILE 98 HG21 ILE 98 0.241 0.453 0.453
744 1HD1 ILE 98 HD11 ILE 98 -1.007 1.610 1.610
745 2HD1 ILE 98 HD12 ILE 98 -2.642 2.275 2.275
746 3HD1 ILE 98 HD13 ILE 98 -1.820 1.449 1.449
747 H THR 99 HN THR 99 -1.878 -4.164 -4.164
748 HA THR 99 HA THR 99 -4.434 -4.173 -4.173
749 HB THR 99 HB THR 99 -4.519 -6.668 -6.668
750 HG1 THR 99 HG1 THR 99 -3.036 -6.961 -6.961
751 1HG2 THR 99 HG22 THR 99 -5.408 -4.117 -4.117
752 2HG2 THR 99 HG23 THR 99 -5.166 -5.402 -5.402
753 3HG2 THR 99 HG21 THR 99 -6.288 -5.656 -5.656
754 H LEU 100 HN LEU 100 -4.537 -6.117 -6.117
755 HA LEU 100 HA LEU 100 -2.301 -5.929 -5.929
756 1HB LEU 100 HB2 LEU 100 -3.546 -7.084 -7.084
757 2HB LEU 100 HB3 LEU 100 -4.810 -6.457 -6.457
758 HG LEU 100 HG LEU 100 -3.731 -9.154 -9.154
759 1HD1 LEU 100 HD11 LEU 100 -4.971 -8.488 -8.488
760 2HD1 LEU 100 HD12 LEU 100 -5.666 -9.886 -9.886
761 3HD1 LEU 100 HD13 LEU 100 -3.929 -9.853 -9.853
762 1HD2 LEU 100 HD23 LEU 100 -6.391 -7.746 -7.746
763 2HD2 LEU 100 HD21 LEU 100 -5.412 -8.434 -8.434
764 3HD2 LEU 100 HD22 LEU 100 -6.260 -9.512 -9.512
765 H CYS 101 HN CYS 101 -3.234 -8.152 -8.152
766 HA CYS 101 HA CYS 101 -1.329 -10.130 -10.130
767 1HB CYS 101 HB2 CYS 101 -2.030 -10.233 -10.233
768 2HB CYS 101 HB3 CYS 101 -2.410 -11.353 -11.353
769 H ASP 102 HN ASP 102 -1.362 -7.064 -7.064
770 HA ASP 102 HA ASP 102 1.037 -7.649 -7.649
771 1HB ASP 102 HB2 ASP 102 -0.986 -5.986 -5.986
772 2HB ASP 102 HB3 ASP 102 -0.054 -4.857 -4.857
773 H PHE 103 HN PHE 103 2.912 -5.899 -5.899
774 HA PHE 103 HA PHE 103 3.780 -5.991 -5.991
775 1HB PHE 103 HB2 PHE 103 5.398 -6.064 -6.064
776 2HB PHE 103 HB3 PHE 103 4.647 -4.713 -4.713
777 HD1 PHE 103 HD2 PHE 103 5.155 -4.416 -4.416
778 HD2 PHE 103 HD1 PHE 103 6.889 -3.704 -3.704
779 HE1 PHE 103 HE2 PHE 103 6.815 -2.852 -2.852
780 HE2 PHE 103 HE1 PHE 103 8.549 -2.139 -2.139
781 HZ PHE 103 HZ PHE 103 8.492 -1.732 -1.732
782 H ILE 104 HN ILE 104 3.221 -4.649 -4.649
783 HA ILE 104 HA ILE 104 3.200 -1.840 -1.840
784 HB ILE 104 HB ILE 104 0.751 -1.689 -1.689
785 1HG1 ILE 104 HG12 ILE 104 0.619 -4.328 -4.328
786 2HG1 ILE 104 HG13 ILE 104 0.476 -4.154 -4.154
787 1HG2 ILE 104 HG23 ILE 104 1.979 -1.237 -1.237
788 2HG2 ILE 104 HG21 ILE 104 0.698 -2.376 -2.376
789 3HG2 ILE 104 HG22 ILE 104 0.277 -0.860 -0.860
790 1HD1 ILE 104 HD13 ILE 104 -1.446 -2.485 -2.485
791 2HD1 ILE 104 HD11 ILE 104 -1.399 -3.082 -3.082
792 3HD1 ILE 104 HD12 ILE 104 -1.773 -4.201 -4.201
793 H VAL 105 HN VAL 105 3.687 -0.853 -0.853
794 HA VAL 105 HA VAL 105 3.006 -2.170 -2.170
795 HB VAL 105 HB VAL 105 5.673 -1.745 -1.745
796 1HG1 VAL 105 HG12 VAL 105 3.935 -3.758 -3.758
797 2HG1 VAL 105 HG13 VAL 105 4.904 -4.465 -4.465
798 3HG1 VAL 105 HG11 VAL 105 5.693 -3.955 -3.955
799 1HG2 VAL 105 HG22 VAL 105 5.362 -2.851 -2.851
800 2HG2 VAL 105 HG23 VAL 105 6.253 -1.394 -1.394
801 3HG2 VAL 105 HG21 VAL 105 6.842 -3.007 -3.007
802 HA PRO 106 HA PRO 106 3.057 1.952 1.952
803 1HB PRO 106 HB2 PRO 106 3.496 1.751 1.751
804 2HB PRO 106 HB3 PRO 106 1.936 1.457 1.457
805 1HG PRO 106 HG2 PRO 106 3.879 -0.500 -0.500
806 2HG PRO 106 HG3 PRO 106 2.174 -0.721 -0.721
807 1HD PRO 106 HD2 PRO 106 4.380 -1.639 -1.639
808 2HD PRO 106 HD3 PRO 106 2.678 -1.757 -1.757
809 H TRP 107 HN TRP 107 5.741 0.430 0.430
810 HA TRP 107 HA TRP 107 7.828 1.133 1.133
811 1HB TRP 107 HB2 TRP 107 6.816 3.309 3.309
812 2HB TRP 107 HB3 TRP 107 6.911 3.807 3.807
813 HD1 TRP 107 HD1 TRP 107 9.566 2.354 2.354
814 HE1 TRP 107 HE1 TRP 107 11.812 3.729 3.729
815 HE3 TRP 107 HE3 TRP 107 7.958 5.589 5.589
816 HZ2 TRP 107 HZ2 TRP 107 12.646 5.967 5.967
817 HZ3 TRP 107 HZ3 TRP 107 9.550 7.340 7.340
818 HH2 TRP 107 HH2 TRP 107 11.823 7.559 7.559
819 H ASP 108 HN ASP 108 6.557 2.734 2.734
820 HA ASP 108 HA ASP 108 8.896 2.164 2.164
821 1HB ASP 108 HB2 ASP 108 7.181 3.980 3.980
822 2HB ASP 108 HB3 ASP 108 6.101 2.730 2.730
823 H THR 109 HN THR 109 8.366 -0.280 -0.280
824 HA THR 109 HA THR 109 7.802 -1.905 -1.905
825 HB THR 109 HB THR 109 6.029 -3.182 -3.182
826 HG1 THR 109 HG1 THR 109 6.222 -0.393 -0.393
827 1HG2 THR 109 HG21 THR 109 5.550 -1.868 -1.868
828 2HG2 THR 109 HG22 THR 109 5.177 -0.481 -0.481
829 3HG2 THR 109 HG23 THR 109 4.211 -1.972 -1.972
830 H LEU 110 HN LEU 110 8.014 -2.039 -2.039
831 HA LEU 110 HA LEU 110 8.908 -3.918 -3.918
832 1HB LEU 110 HB2 LEU 110 11.202 -2.166 -2.166
833 2HB LEU 110 HB3 LEU 110 11.203 -3.244 -3.244
834 HG LEU 110 HG LEU 110 9.349 -0.867 -0.867
835 1HD1 LEU 110 HD11 LEU 110 11.763 -0.240 -0.240
836 2HD1 LEU 110 HD12 LEU 110 11.832 -1.062 -1.062
837 3HD1 LEU 110 HD13 LEU 110 10.769 0.348 0.348
838 1HD2 LEU 110 HD23 LEU 110 9.188 -3.100 -3.100
839 2HD2 LEU 110 HD21 LEU 110 8.273 -1.577 -1.577
840 3HD2 LEU 110 HD22 LEU 110 9.798 -1.766 -1.766
841 H SER 111 HN SER 111 11.930 -3.671 -3.671
842 HA SER 111 HA SER 111 11.981 -5.048 -5.048
843 1HB SER 111 HB2 SER 111 10.948 -6.928 -6.928
844 2HB SER 111 HB3 SER 111 12.086 -7.579 -7.579
845 HG SER 111 HG SER 111 10.058 -7.875 -7.875
846 H THR 112 HN THR 112 12.977 -5.412 -5.412
847 HA THR 112 HA THR 112 15.495 -4.621 -4.621
848 HB THR 112 HB THR 112 15.216 -7.231 -7.231
849 HG1 THR 112 HG1 THR 112 16.337 -5.806 -5.806
850 1HG2 THR 112 HG22 THR 112 17.407 -6.626 -6.626
851 2HG2 THR 112 HG23 THR 112 17.722 -7.628 -7.628
852 3HG2 THR 112 HG21 THR 112 16.519 -8.152 -8.152
853 H THR 113 HN THR 113 14.167 -7.888 -7.888
854 HA THR 113 HA THR 113 15.371 -8.041 -8.041
855 HB THR 113 HB THR 113 12.775 -9.141 -9.141
856 HG1 THR 113 HG1 THR 113 14.588 -10.159 -10.159
857 1HG2 THR 113 HG23 THR 113 13.045 -9.031 -9.031
858 2HG2 THR 113 HG21 THR 113 14.122 -10.411 -10.411
859 3HG2 THR 113 HG22 THR 113 12.414 -10.482 -10.482
860 H GLN 114 HN GLN 114 12.771 -5.944 -5.944
861 HA GLN 114 HA GLN 114 11.936 -5.504 -5.504
862 1HB GLN 114 HB2 GLN 114 11.004 -4.617 -4.617
863 2HB GLN 114 HB3 GLN 114 10.556 -3.634 -3.634
864 1HG GLN 114 HG2 GLN 114 8.789 -5.106 -5.106
865 2HG GLN 114 HG3 GLN 114 9.934 -6.071 -6.071
866 1HE2 GLN 114 HE22 GLN 114 10.765 -8.252 -8.252
867 2HE2 GLN 114 HE21 GLN 114 11.512 -7.326 -7.326
868 H LYS 115 HN LYS 115 13.922 -3.992 -3.992
869 HA LYS 115 HA LYS 115 14.147 -1.483 -1.483
870 1HB LYS 115 HB2 LYS 115 15.099 -2.769 -2.769
871 2HB LYS 115 HB3 LYS 115 16.359 -1.811 -1.811
872 1HG LYS 115 HG2 LYS 115 15.212 0.192 0.192
873 2HG LYS 115 HG3 LYS 115 13.636 -0.556 -0.556
874 1HD LYS 115 HD2 LYS 115 15.441 -0.556 -0.556
875 2HD LYS 115 HD3 LYS 115 13.823 0.101 0.101
876 1HE LYS 115 HE2 LYS 115 13.112 -2.375 -2.375
877 2HE LYS 115 HE3 LYS 115 14.663 -2.815 -2.815
878 1HZ LYS 115 HZ3 LYS 115 13.909 -1.345 -1.345
879 2HZ LYS 115 HZ1 LYS 115 12.406 -1.519 -1.519
880 3HZ LYS 115 HZ2 LYS 115 13.252 -2.833 -2.833
881 H LYS 116 HN LYS 116 16.002 -4.559 -4.559
882 HA LYS 116 HA LYS 116 18.192 -3.571 -3.571
883 1HB LYS 116 HB2 LYS 116 18.813 -5.850 -5.850
884 2HB LYS 116 HB3 LYS 116 18.086 -5.702 -5.702
885 1HG LYS 116 HG2 LYS 116 16.525 -7.254 -7.254
886 2HG LYS 116 HG3 LYS 116 15.967 -6.267 -6.267
887 1HD LYS 116 HD2 LYS 116 18.533 -7.690 -7.690
888 2HD LYS 116 HD3 LYS 116 17.160 -8.750 -8.750
889 1HE LYS 116 HE2 LYS 116 16.359 -8.288 -8.288
890 2HE LYS 116 HE3 LYS 116 16.325 -6.572 -6.572
891 1HZ LYS 116 HZ1 LYS 116 18.965 -7.447 -7.447
892 2HZ LYS 116 HZ2 LYS 116 18.035 -7.854 -7.854
893 3HZ LYS 116 HZ3 LYS 116 18.128 -6.295 -6.295
894 H SER 117 HN SER 117 14.897 -4.002 -4.002
895 HA SER 117 HA SER 117 15.608 -4.333 -4.333
896 1HB SER 117 HB2 SER 117 13.504 -5.329 -5.329
897 2HB SER 117 HB3 SER 117 12.742 -4.054 -4.054
898 HG SER 117 HG SER 117 14.470 -5.911 -5.911
899 H LEU 118 HN LEU 118 15.002 -1.902 -1.902
900 HA LEU 118 HA LEU 118 13.747 -0.071 -0.071
901 1HB LEU 118 HB2 LEU 118 14.573 0.114 0.114
902 2HB LEU 118 HB3 LEU 118 13.969 1.488 1.488
903 HG LEU 118 HG LEU 118 12.280 -0.956 -0.956
904 1HD1 LEU 118 HD11 LEU 118 13.187 0.200 0.200
905 2HD1 LEU 118 HD12 LEU 118 11.416 0.262 0.262
906 3HD1 LEU 118 HD13 LEU 118 12.271 -1.293 -1.293
907 1HD2 LEU 118 HD22 LEU 118 12.020 1.914 1.914
908 2HD2 LEU 118 HD23 LEU 118 10.959 0.589 0.589
909 3HD2 LEU 118 HD21 LEU 118 10.775 1.273 1.273
910 H ASN 119 HN ASN 119 16.775 -1.322 -1.322
911 HA ASN 119 HA ASN 119 18.305 1.037 1.037
912 1HB ASN 119 HB2 ASN 119 18.787 -1.871 -1.871
913 2HB ASN 119 HB3 ASN 119 19.992 -0.704 -0.704
914 1HD2 ASN 119 HD21 ASN 119 18.021 -1.624 -1.624
915 2HD2 ASN 119 HD22 ASN 119 19.221 -1.338 -1.338
916 H HIS 120 HN HIS 120 17.188 -1.289 -1.289
917 HA HIS 120 HA HIS 120 18.262 0.328 0.328
918 1HB HIS 120 HB2 HIS 120 16.760 -2.245 -2.245
919 2HB HIS 120 HB3 HIS 120 16.701 -1.393 -1.393
920 HD1 HIS 120 HD1 HIS 120 19.890 -1.032 -1.032
921 HD2 HIS 120 HD2 HIS 120 18.301 -3.544 -3.544
922 HE1 HIS 120 HE1 HIS 120 21.866 -2.298 -2.298
923 H ARG 121 HN ARG 121 15.086 -0.888 -0.888
924 HA ARG 121 HA ARG 121 13.853 1.627 1.627
925 1HB ARG 121 HB2 ARG 121 13.437 0.658 0.658
926 2HB ARG 121 HB3 ARG 121 13.347 2.291 2.291
927 1HG ARG 121 HG2 ARG 121 16.009 1.690 1.690
928 2HG ARG 121 HG3 ARG 121 15.707 0.773 0.773
929 1HD ARG 121 HD2 ARG 121 14.455 3.324 3.324
930 2HD ARG 121 HD3 ARG 121 16.034 3.648 3.648
931 HE ARG 121 HE ARG 121 16.440 1.699 1.699
932 1HH1 ARG 121 HH22 ARG 121 15.282 5.017 5.017
933 2HH1 ARG 121 HH21 ARG 121 15.803 5.426 5.426
934 1HH2 ARG 121 HH12 ARG 121 17.127 2.239 2.239
935 2HH2 ARG 121 HH11 ARG 121 16.859 3.837 3.837
936 H TYR 122 HN TYR 122 13.174 -1.140 -1.140
937 HA TYR 122 HA TYR 122 10.988 -1.943 -1.943
938 1HB TYR 122 HB2 TYR 122 9.565 -2.113 -2.113
939 2HB TYR 122 HB3 TYR 122 10.205 -0.485 -0.485
940 HD1 TYR 122 HD2 TYR 122 10.775 -3.792 -3.792
941 HD2 TYR 122 HD1 TYR 122 11.460 0.429 0.429
942 HE1 TYR 122 HE2 TYR 122 11.742 -4.019 -4.019
943 HE2 TYR 122 HE1 TYR 122 12.426 0.187 0.187
944 HH TYR 122 HH TYR 122 12.622 -1.166 -1.166
945 H GLN 123 HN GLN 123 13.881 -2.809 -2.809
946 HA GLN 123 HA GLN 123 13.284 -5.550 -5.550
947 1HB GLN 123 HB2 GLN 123 12.828 -4.684 -4.684
948 2HB GLN 123 HB3 GLN 123 14.552 -4.970 -4.970
949 1HG GLN 123 HG2 GLN 123 13.401 -7.206 -7.206
950 2HG GLN 123 HG3 GLN 123 12.409 -6.906 -6.906
951 1HE2 GLN 123 HE22 GLN 123 15.246 -9.237 -9.237
952 2HE2 GLN 123 HE21 GLN 123 14.003 -9.177 -9.177
953 H MET 124 HN MET 124 14.822 -4.951 -4.951
954 HA MET 124 HA MET 124 17.384 -4.037 -4.037
955 1HB MET 124 HB2 MET 124 15.829 -4.661 -4.661
956 2HB MET 124 HB3 MET 124 17.233 -5.703 -5.703
957 1HG MET 124 HG2 MET 124 17.940 -2.947 -2.947
958 2HG MET 124 HG3 MET 124 17.131 -3.001 -3.001
959 1HE MET 124 HE1 MET 124 19.835 -4.083 -4.083
960 2HE MET 124 HE2 MET 124 20.751 -2.924 -2.924
961 3HE MET 124 HE3 MET 124 21.168 -4.654 -4.654
962 H GLY 125 HN GLY 125 17.228 -5.855 -5.855
963 1HA GLY 125 HA1 GLY 125 18.010 -7.794 -7.794
964 2HA GLY 125 HA2 GLY 125 19.398 -7.459 -7.459
965 H CYS 126 HN CYS 126 16.247 -7.988 -7.988
966 HA CYS 126 HA CYS 126 17.235 -10.058 -10.058
967 1HB CYS 126 HB2 CYS 126 15.240 -9.994 -9.994
968 2HB CYS 126 HB3 CYS 126 15.202 -8.425 -8.425
969 H GLU 127 HN GLU 127 15.179 -12.050 -12.050
970 HA GLU 127 HA GLU 127 14.591 -13.001 -13.001
971 1HB GLU 127 HB2 GLU 127 17.057 -13.243 -13.243
972 2HB GLU 127 HB3 GLU 127 17.117 -14.264 -14.264
973 1HG GLU 127 HG2 GLU 127 15.147 -15.527 -15.527
974 2HG GLU 127 HG3 GLU 127 16.186 -14.909 -14.909
Start of MODEL 43
1 H CYS 1 HN CYS 1 -7.745 -9.137 -9.137
2 HA CYS 1 HA CYS 1 -9.417 -8.852 -8.852
3 1HB CYS 1 HB2 CYS 1 -9.888 -10.991 -10.991
4 2HB CYS 1 HB3 CYS 1 -11.151 -10.303 -10.303
5 H SER 2 HN SER 2 -7.445 -10.151 -10.151
6 HA SER 2 HA SER 2 -8.010 -11.261 -11.261
7 1HB SER 2 HB2 SER 2 -9.178 -13.402 -13.402
8 2HB SER 2 HB3 SER 2 -10.138 -12.229 -12.229
9 HG SER 2 HG SER 2 -8.291 -13.736 -13.736
10 H CYS 3 HN CYS 3 -6.598 -12.083 -12.083
11 HA CYS 3 HA CYS 3 -5.195 -14.319 -14.319
12 1HB CYS 3 HB2 CYS 3 -4.891 -13.265 -13.265
13 2HB CYS 3 HB3 CYS 3 -4.500 -11.719 -11.719
14 H SER 4 HN SER 4 -2.826 -14.645 -14.645
15 HA SER 4 HA SER 4 -2.481 -13.334 -13.334
16 1HB SER 4 HB2 SER 4 -1.098 -15.169 -15.169
17 2HB SER 4 HB3 SER 4 -2.391 -15.884 -15.884
18 HG SER 4 HG SER 4 -0.435 -16.751 -16.751
19 HA PRO 5 HA PRO 5 0.602 -10.893 -10.893
20 1HB PRO 5 HB2 PRO 5 0.942 -9.071 -9.071
21 2HB PRO 5 HB3 PRO 5 -0.290 -8.915 -8.915
22 1HG PRO 5 HG2 PRO 5 -0.595 -9.719 -9.719
23 2HG PRO 5 HG3 PRO 5 -1.820 -9.152 -9.152
24 1HD PRO 5 HD2 PRO 5 -1.375 -11.861 -11.861
25 2HD PRO 5 HD3 PRO 5 -2.522 -11.308 -11.308
26 H VAL 6 HN VAL 6 2.648 -11.472 -11.472
27 HA VAL 6 HA VAL 6 4.264 -11.775 -11.775
28 HB VAL 6 HB VAL 6 3.177 -13.984 -13.984
29 1HG1 VAL 6 HG11 VAL 6 3.995 -13.430 -13.430
30 2HG1 VAL 6 HG12 VAL 6 4.828 -14.903 -14.903
31 3HG1 VAL 6 HG13 VAL 6 3.052 -14.807 -14.807
32 1HG2 VAL 6 HG21 VAL 6 6.046 -13.415 -13.415
33 2HG2 VAL 6 HG22 VAL 6 5.005 -14.512 -14.512
34 3HG2 VAL 6 HG23 VAL 6 5.700 -15.051 -15.051
35 H HIS 7 HN HIS 7 5.992 -13.413 -13.413
36 HA HIS 7 HA HIS 7 7.847 -12.792 -12.792
37 1HB HIS 7 HB2 HIS 7 7.132 -11.273 -11.273
38 2HB HIS 7 HB3 HIS 7 6.792 -12.989 -12.989
39 HD1 HIS 7 HD1 HIS 7 4.406 -13.634 -13.634
40 HD2 HIS 7 HD2 HIS 7 4.785 -9.658 -9.658
41 HE1 HIS 7 HE1 HIS 7 2.059 -12.636 -12.636
42 HA PRO 8 HA PRO 8 8.606 -8.862 -8.862
43 1HB PRO 8 HB2 PRO 8 11.028 -9.521 -9.521
44 2HB PRO 8 HB3 PRO 8 9.509 -9.732 -9.732
45 1HG PRO 8 HG2 PRO 8 11.222 -11.778 -11.778
46 2HG PRO 8 HG3 PRO 8 9.957 -11.993 -11.993
47 1HD PRO 8 HD2 PRO 8 9.777 -12.540 -12.540
48 2HD PRO 8 HD3 PRO 8 8.479 -12.644 -12.644
49 H GLN 9 HN GLN 9 10.566 -10.764 -10.764
50 HA GLN 9 HA GLN 9 11.830 -8.277 -8.277
51 1HB GLN 9 HB2 GLN 9 13.489 -9.894 -9.894
52 2HB GLN 9 HB3 GLN 9 12.706 -11.181 -11.181
53 1HG GLN 9 HG2 GLN 9 14.616 -10.452 -10.452
54 2HG GLN 9 HG3 GLN 9 13.175 -9.914 -9.914
55 1HE2 GLN 9 HE22 GLN 9 14.451 -6.822 -6.822
56 2HE2 GLN 9 HE21 GLN 9 13.759 -8.286 -8.286
57 H GLN 10 HN GLN 10 9.718 -10.951 -10.951
58 HA GLN 10 HA GLN 10 9.951 -10.479 -10.479
59 1HB GLN 10 HB2 GLN 10 9.169 -12.604 -12.604
60 2HB GLN 10 HB3 GLN 10 8.581 -12.363 -12.363
61 1HG GLN 10 HG2 GLN 10 6.605 -12.775 -12.775
62 2HG GLN 10 HG3 GLN 10 6.622 -11.032 -11.032
63 1HE2 GLN 10 HE22 GLN 10 5.866 -12.015 -12.015
64 2HE2 GLN 10 HE21 GLN 10 5.225 -12.417 -12.417
65 H ALA 11 HN ALA 11 8.512 -8.769 -8.769
66 HA ALA 11 HA ALA 11 6.171 -7.921 -7.921
67 1HB ALA 11 HB1 ALA 11 7.323 -7.647 -7.647
68 2HB ALA 11 HB2 ALA 11 6.416 -6.229 -6.229
69 3HB ALA 11 HB3 ALA 11 5.627 -7.824 -7.824
70 H PHE 12 HN PHE 12 9.490 -6.795 -6.795
71 HA PHE 12 HA PHE 12 8.941 -4.254 -4.254
72 1HB PHE 12 HB2 PHE 12 11.412 -5.588 -5.588
73 2HB PHE 12 HB3 PHE 12 11.413 -3.941 -3.941
74 HD1 PHE 12 HD1 PHE 12 8.926 -5.822 -5.822
75 HD2 PHE 12 HD2 PHE 12 11.578 -2.518 -2.518
76 HE1 PHE 12 HE1 PHE 12 8.124 -5.008 -5.008
77 HE2 PHE 12 HE2 PHE 12 10.776 -1.706 -1.706
78 HZ PHE 12 HZ PHE 12 9.057 -2.960 -2.960
79 H CYS 13 HN CYS 13 9.305 -7.252 -7.252
80 HA CYS 13 HA CYS 13 11.117 -6.353 -6.353
81 1HB CYS 13 HB2 CYS 13 10.713 -9.032 -9.032
82 2HB CYS 13 HB3 CYS 13 11.183 -8.956 -8.956
83 H ASN 14 HN ASN 14 7.905 -6.905 -6.905
84 HA ASN 14 HA ASN 14 7.141 -7.732 -7.732
85 1HB ASN 14 HB2 ASN 14 6.225 -8.508 -8.508
86 2HB ASN 14 HB3 ASN 14 4.960 -7.448 -7.448
87 1HD2 ASN 14 HD22 ASN 14 5.868 -10.992 -10.992
88 2HD2 ASN 14 HD21 ASN 14 7.018 -10.178 -10.178
89 H ALA 15 HN ALA 15 6.718 -5.267 -5.267
90 HA ALA 15 HA ALA 15 4.708 -3.746 -3.746
91 1HB ALA 15 HB1 ALA 15 7.136 -2.906 -2.906
92 2HB ALA 15 HB2 ALA 15 5.676 -1.918 -1.918
93 3HB ALA 15 HB3 ALA 15 5.568 -3.456 -3.456
94 H ASP 16 HN ASP 16 5.119 -1.375 -1.375
95 HA ASP 16 HA ASP 16 7.406 -1.286 -1.286
96 1HB ASP 16 HB2 ASP 16 4.558 -1.603 -1.603
97 2HB ASP 16 HB3 ASP 16 5.517 -0.430 -0.430
98 H VAL 17 HN VAL 17 5.844 0.078 0.078
99 HA VAL 17 HA VAL 17 6.535 2.731 2.731
100 HB VAL 17 HB VAL 17 4.456 2.606 2.606
101 1HG1 VAL 17 HG11 VAL 17 3.561 1.082 1.082
102 2HG1 VAL 17 HG12 VAL 17 2.495 2.493 2.493
103 3HG1 VAL 17 HG13 VAL 17 2.741 1.370 1.370
104 1HG2 VAL 17 HG23 VAL 17 5.139 4.701 4.701
105 2HG2 VAL 17 HG21 VAL 17 3.402 4.574 4.574
106 3HG2 VAL 17 HG22 VAL 17 3.992 4.244 4.244
107 H VAL 18 HN VAL 18 7.818 2.475 2.475
108 HA VAL 18 HA VAL 18 6.318 2.034 2.034
109 HB VAL 18 HB VAL 18 9.268 2.291 2.291
110 1HG1 VAL 18 HG12 VAL 18 7.178 1.149 1.149
111 2HG1 VAL 18 HG13 VAL 18 8.365 -0.110 -0.110
112 3HG1 VAL 18 HG11 VAL 18 8.900 1.384 1.384
113 1HG2 VAL 18 HG23 VAL 18 7.862 0.431 0.431
114 2HG2 VAL 18 HG21 VAL 18 9.574 0.918 0.918
115 3HG2 VAL 18 HG22 VAL 18 8.991 -0.368 -0.368
116 H ILE 19 HN ILE 19 5.650 3.782 3.782
117 HA ILE 19 HA ILE 19 7.404 6.102 6.102
118 HB ILE 19 HB ILE 19 5.648 7.644 7.644
119 1HG1 ILE 19 HG12 ILE 19 3.921 5.215 5.215
120 2HG1 ILE 19 HG13 ILE 19 3.621 6.838 6.838
121 1HG2 ILE 19 HG22 ILE 19 7.052 6.420 6.420
122 2HG2 ILE 19 HG23 ILE 19 5.518 5.617 5.617
123 3HG2 ILE 19 HG21 ILE 19 5.645 7.390 7.390
124 1HD1 ILE 19 HD12 ILE 19 3.659 7.486 7.486
125 2HD1 ILE 19 HD13 ILE 19 3.333 5.751 5.751
126 3HD1 ILE 19 HD11 ILE 19 2.202 6.751 6.751
127 H ARG 20 HN ARG 20 7.658 6.785 6.785
128 HA ARG 20 HA ARG 20 6.148 5.476 5.476
129 1HB ARG 20 HB2 ARG 20 8.625 6.176 6.176
130 2HB ARG 20 HB3 ARG 20 8.073 7.824 7.824
131 1HG ARG 20 HG2 ARG 20 6.718 7.041 7.041
132 2HG ARG 20 HG3 ARG 20 7.426 5.449 5.449
133 1HD ARG 20 HD2 ARG 20 8.574 7.018 7.018
134 2HD ARG 20 HD3 ARG 20 9.625 6.226 6.226
135 HE ARG 20 HE ARG 20 9.577 8.358 8.358
136 1HH1 ARG 20 HH22 ARG 20 8.652 8.461 8.461
137 2HH1 ARG 20 HH21 ARG 20 9.023 10.144 10.144
138 1HH2 ARG 20 HH12 ARG 20 10.066 10.577 10.577
139 2HH2 ARG 20 HH11 ARG 20 9.832 11.356 11.356
140 H THR 21 HN THR 21 4.402 6.976 6.976
141 HA THR 21 HA THR 21 3.878 9.566 9.566
142 HB THR 21 HB THR 21 3.096 8.791 8.791
143 HG1 THR 21 HG1 THR 21 1.241 9.931 9.931
144 1HG2 THR 21 HG22 THR 21 2.688 6.335 6.335
145 2HG2 THR 21 HG23 THR 21 1.093 6.971 6.971
146 3HG2 THR 21 HG21 THR 21 1.591 6.983 6.983
147 H LYS 22 HN LYS 22 1.502 10.029 10.029
148 HA LYS 22 HA LYS 22 1.080 8.205 8.205
149 1HB LYS 22 HB2 LYS 22 0.813 10.091 10.091
150 2HB LYS 22 HB3 LYS 22 2.409 10.112 10.112
151 1HG LYS 22 HG2 LYS 22 1.760 11.857 11.857
152 2HG LYS 22 HG3 LYS 22 0.072 11.718 11.718
153 1HD LYS 22 HD2 LYS 22 2.363 12.890 12.890
154 2HD LYS 22 HD3 LYS 22 0.830 13.631 13.631
155 1HE LYS 22 HE2 LYS 22 -0.275 11.774 11.774
156 2HE LYS 22 HE3 LYS 22 1.338 11.428 11.428
157 1HZ LYS 22 HZ1 LYS 22 0.468 14.191 14.191
158 2HZ LYS 22 HZ2 LYS 22 -0.180 13.186 13.186
159 3HZ LYS 22 HZ3 LYS 22 1.438 13.396 13.396
160 H ALA 23 HN ALA 23 -0.956 7.433 7.433
161 HA ALA 23 HA ALA 23 -2.918 8.847 8.847
162 1HB ALA 23 HB3 ALA 23 -2.546 6.442 6.442
163 2HB ALA 23 HB1 ALA 23 -2.944 6.096 6.096
164 3HB ALA 23 HB2 ALA 23 -4.193 6.738 6.738
165 H VAL 24 HN VAL 24 -3.895 10.495 10.495
166 HA VAL 24 HA VAL 24 -4.683 9.923 9.923
167 HB VAL 24 HB VAL 24 -4.936 12.474 12.474
168 1HG1 VAL 24 HG11 VAL 24 -2.445 10.845 10.845
169 2HG1 VAL 24 HG12 VAL 24 -2.250 12.614 12.614
170 3HG1 VAL 24 HG13 VAL 24 -3.199 11.831 11.831
171 1HG2 VAL 24 HG22 VAL 24 -4.620 12.428 12.428
172 2HG2 VAL 24 HG23 VAL 24 -4.036 13.792 13.792
173 3HG2 VAL 24 HG21 VAL 24 -2.899 12.535 12.535
174 H SER 25 HN SER 25 -5.746 10.942 10.942
175 HA SER 25 HA SER 25 -8.477 10.828 10.828
176 1HB SER 25 HB2 SER 25 -8.227 13.019 13.019
177 2HB SER 25 HB3 SER 25 -7.171 12.523 12.523
178 HG SER 25 HG SER 25 -9.100 11.401 11.401
179 H GLU 26 HN GLU 26 -10.114 9.992 9.992
180 HA GLU 26 HA GLU 26 -8.897 8.277 8.277
181 1HB GLU 26 HB2 GLU 26 -10.472 7.333 7.333
182 2HB GLU 26 HB3 GLU 26 -10.661 6.471 6.471
183 1HG GLU 26 HG2 GLU 26 -8.777 5.325 5.325
184 2HG GLU 26 HG3 GLU 26 -7.885 6.791 6.791
185 H LYS 27 HN LYS 27 -11.145 6.917 6.917
186 HA LYS 27 HA LYS 27 -13.345 8.754 8.754
187 1HB LYS 27 HB2 LYS 27 -11.816 9.745 9.745
188 2HB LYS 27 HB3 LYS 27 -11.607 8.199 8.199
189 1HG LYS 27 HG2 LYS 27 -13.763 8.215 8.215
190 2HG LYS 27 HG3 LYS 27 -14.422 9.219 9.219
191 1HD LYS 27 HD2 LYS 27 -14.066 10.305 10.305
192 2HD LYS 27 HD3 LYS 27 -13.563 11.216 11.216
193 1HE LYS 27 HE2 LYS 27 -11.230 10.599 10.599
194 2HE LYS 27 HE3 LYS 27 -11.647 9.408 9.408
195 1HZ LYS 27 HZ1 LYS 27 -12.711 11.534 11.534
196 2HZ LYS 27 HZ2 LYS 27 -11.535 12.280 12.280
197 3HZ LYS 27 HZ3 LYS 27 -11.146 11.131 11.131
198 H GLU 28 HN GLU 28 -15.098 7.476 7.476
199 HA GLU 28 HA GLU 28 -14.800 4.688 4.688
200 1HB GLU 28 HB2 GLU 28 -16.171 5.622 5.622
201 2HB GLU 28 HB3 GLU 28 -17.268 6.343 6.343
202 1HG GLU 28 HG2 GLU 28 -17.200 3.703 3.703
203 2HG GLU 28 HG3 GLU 28 -17.031 3.509 3.509
204 H VAL 29 HN VAL 29 -14.491 4.221 4.221
205 HA VAL 29 HA VAL 29 -16.525 5.264 5.264
206 HB VAL 29 HB VAL 29 -14.881 4.456 4.456
207 1HG1 VAL 29 HG13 VAL 29 -15.104 6.846 6.846
208 2HG1 VAL 29 HG11 VAL 29 -13.408 6.466 6.466
209 3HG1 VAL 29 HG12 VAL 29 -13.946 6.524 6.524
210 1HG2 VAL 29 HG23 VAL 29 -13.646 2.887 2.887
211 2HG2 VAL 29 HG21 VAL 29 -12.577 4.056 4.056
212 3HG2 VAL 29 HG22 VAL 29 -13.000 4.279 4.279
213 H ASP 30 HN ASP 30 -18.194 3.794 3.794
214 HA ASP 30 HA ASP 30 -17.961 1.145 1.145
215 1HB ASP 30 HB2 ASP 30 -20.284 2.310 2.310
216 2HB ASP 30 HB3 ASP 30 -20.325 1.004 1.004
217 H SER 31 HN SER 31 -18.034 -0.733 -0.733
218 HA SER 31 HA SER 31 -17.881 -0.111 -0.111
219 1HB SER 31 HB2 SER 31 -15.660 -0.660 -0.660
220 2HB SER 31 HB3 SER 31 -15.974 -1.620 -1.620
221 HG SER 31 HG SER 31 -16.761 -2.486 -2.486
222 H GLY 32 HN GLY 32 -20.199 -0.903 -0.903
223 1HA GLY 32 HA1 GLY 32 -21.920 -2.344 -2.344
224 2HA GLY 32 HA2 GLY 32 -21.276 -2.923 -2.923
225 H ASN 33 HN ASN 33 -22.274 -5.004 -5.004
226 HA ASN 33 HA ASN 33 -20.732 -6.161 -6.161
227 1HB ASN 33 HB2 ASN 33 -22.659 -7.708 -7.708
228 2HB ASN 33 HB3 ASN 33 -22.325 -7.940 -7.940
229 1HD2 ASN 33 HD22 ASN 33 -24.691 -5.698 -5.698
230 2HD2 ASN 33 HD21 ASN 33 -23.393 -6.803 -6.803
231 H ASP 34 HN ASP 34 -19.831 -8.512 -8.512
232 HA ASP 34 HA ASP 34 -18.310 -8.383 -8.383
233 1HB ASP 34 HB2 ASP 34 -17.485 -8.910 -8.910
234 2HB ASP 34 HB3 ASP 34 -17.974 -10.543 -10.543
235 H ILE 35 HN ILE 35 -17.736 -11.261 -11.261
236 HA ILE 35 HA ILE 35 -20.151 -12.112 -12.112
237 HB ILE 35 HB ILE 35 -17.456 -13.441 -13.441
238 1HG1 ILE 35 HG12 ILE 35 -17.264 -12.717 -12.717
239 2HG1 ILE 35 HG13 ILE 35 -18.609 -11.637 -11.637
240 1HG2 ILE 35 HG23 ILE 35 -19.985 -14.250 -14.250
241 2HG2 ILE 35 HG21 ILE 35 -18.451 -14.563 -14.563
242 3HG2 ILE 35 HG22 ILE 35 -18.724 -15.239 -15.239
243 1HD1 ILE 35 HD13 ILE 35 -16.264 -11.610 -11.610
244 2HD1 ILE 35 HD11 ILE 35 -16.116 -10.793 -10.793
245 3HD1 ILE 35 HD12 ILE 35 -17.383 -10.293 -10.293
246 H TYR 36 HN TYR 36 -19.264 -11.992 -11.992
247 HA TYR 36 HA TYR 36 -20.419 -14.623 -14.623
248 1HB TYR 36 HB2 TYR 36 -18.082 -13.455 -13.455
249 2HB TYR 36 HB3 TYR 36 -19.152 -12.693 -12.693
250 HD1 TYR 36 HD1 TYR 36 -17.895 -15.975 -15.975
251 HD2 TYR 36 HD2 TYR 36 -19.975 -13.887 -13.887
252 HE1 TYR 36 HE1 TYR 36 -17.758 -18.032 -18.032
253 HE2 TYR 36 HE2 TYR 36 -19.830 -15.951 -15.951
254 HH TYR 36 HH TYR 36 -19.433 -18.818 -18.818
255 H GLY 37 HN GLY 37 -21.356 -11.451 -11.451
256 1HA GLY 37 HA1 GLY 37 -23.451 -10.611 -10.611
257 2HA GLY 37 HA2 GLY 37 -23.712 -11.835 -11.835
258 H ASN 38 HN ASN 38 -20.683 -10.883 -10.883
259 HA ASN 38 HA ASN 38 -21.646 -9.251 -9.251
260 1HB ASN 38 HB2 ASN 38 -19.097 -9.110 -9.110
261 2HB ASN 38 HB3 ASN 38 -19.828 -10.702 -10.702
262 1HD2 ASN 38 HD22 ASN 38 -16.661 -10.965 -10.965
263 2HD2 ASN 38 HD21 ASN 38 -17.170 -10.507 -10.507
264 HA PRO 39 HA PRO 39 -20.676 -5.404 -5.404
265 1HB PRO 39 HB2 PRO 39 -20.197 -3.810 -3.810
266 2HB PRO 39 HB3 PRO 39 -21.809 -4.224 -4.224
267 1HG PRO 39 HG2 PRO 39 -20.322 -5.262 -5.262
268 2HG PRO 39 HG3 PRO 39 -22.043 -5.328 -5.328
269 1HD PRO 39 HD2 PRO 39 -20.161 -7.476 -7.476
270 2HD PRO 39 HD3 PRO 39 -21.859 -7.508 -7.508
271 H ILE 40 HN ILE 40 -19.044 -4.600 -4.600
272 HA ILE 40 HA ILE 40 -16.440 -5.485 -5.485
273 HB ILE 40 HB ILE 40 -17.454 -3.693 -3.693
274 1HG1 ILE 40 HG12 ILE 40 -16.690 -6.624 -6.624
275 2HG1 ILE 40 HG13 ILE 40 -18.283 -5.951 -5.951
276 1HG2 ILE 40 HG22 ILE 40 -14.677 -4.822 -4.822
277 2HG2 ILE 40 HG23 ILE 40 -15.243 -4.036 -4.036
278 3HG2 ILE 40 HG21 ILE 40 -15.153 -3.107 -3.107
279 1HD1 ILE 40 HD12 ILE 40 -17.017 -4.663 -4.663
280 2HD1 ILE 40 HD13 ILE 40 -15.892 -6.034 -6.034
281 3HD1 ILE 40 HD11 ILE 40 -17.609 -6.328 -6.328
282 H LYS 41 HN LYS 41 -16.896 -2.151 -2.151
283 HA LYS 41 HA LYS 41 -16.422 -0.189 -0.189
284 1HB LYS 41 HB2 LYS 41 -17.927 -0.925 -0.925
285 2HB LYS 41 HB3 LYS 41 -16.532 -1.548 -1.548
286 1HG LYS 41 HG2 LYS 41 -15.505 0.725 0.725
287 2HG LYS 41 HG3 LYS 41 -16.875 1.356 1.356
288 1HD LYS 41 HD2 LYS 41 -17.434 -0.120 -0.120
289 2HD LYS 41 HD3 LYS 41 -16.749 1.489 1.489
290 1HE LYS 41 HE2 LYS 41 -18.612 2.320 2.320
291 2HE LYS 41 HE3 LYS 41 -19.329 0.724 0.724
292 1HZ LYS 41 HZ1 LYS 41 -19.372 1.001 1.001
293 2HZ LYS 41 HZ2 LYS 41 -18.847 2.538 2.538
294 3HZ LYS 41 HZ3 LYS 41 -20.296 2.098 2.098
295 H ARG 42 HN ARG 42 -14.471 0.743 0.743
296 HA ARG 42 HA ARG 42 -12.220 -0.617 -0.617
297 1HB ARG 42 HB2 ARG 42 -11.119 0.565 0.565
298 2HB ARG 42 HB3 ARG 42 -11.508 -1.136 -1.136
299 1HG ARG 42 HG2 ARG 42 -13.870 -0.581 -0.581
300 2HG ARG 42 HG3 ARG 42 -13.304 1.042 1.042
301 1HD ARG 42 HD2 ARG 42 -11.396 -0.154 -0.154
302 2HD ARG 42 HD3 ARG 42 -12.439 -1.561 -1.561
303 HE ARG 42 HE ARG 42 -14.168 0.408 0.408
304 1HH1 ARG 42 HH22 ARG 42 -11.004 -0.649 -0.649
305 2HH1 ARG 42 HH21 ARG 42 -11.296 -0.202 -0.202
306 1HH2 ARG 42 HH12 ARG 42 -14.554 0.999 0.999
307 2HH2 ARG 42 HH11 ARG 42 -13.328 0.743 0.743
308 H ILE 43 HN ILE 43 -12.712 1.117 1.117
309 HA ILE 43 HA ILE 43 -12.798 3.770 3.770
310 HB ILE 43 HB ILE 43 -12.265 1.979 1.979
311 1HG1 ILE 43 HG12 ILE 43 -12.653 4.298 4.298
312 2HG1 ILE 43 HG13 ILE 43 -13.134 4.815 4.815
313 1HG2 ILE 43 HG23 ILE 43 -9.890 2.501 2.501
314 2HG2 ILE 43 HG21 ILE 43 -10.247 4.240 4.240
315 3HG2 ILE 43 HG22 ILE 43 -10.587 3.163 3.163
316 1HD1 ILE 43 HD13 ILE 43 -14.568 2.619 2.619
317 2HD1 ILE 43 HD11 ILE 43 -14.335 2.623 2.623
318 3HD1 ILE 43 HD12 ILE 43 -15.148 3.992 3.992
319 H GLN 44 HN GLN 44 -11.223 5.532 5.532
320 HA GLN 44 HA GLN 44 -8.944 4.781 4.781
321 1HB GLN 44 HB2 GLN 44 -10.231 7.471 7.471
322 2HB GLN 44 HB3 GLN 44 -8.763 7.312 7.312
323 1HG GLN 44 HG2 GLN 44 -11.552 6.324 6.324
324 2HG GLN 44 HG3 GLN 44 -10.518 7.387 7.387
325 1HE2 GLN 44 HE22 GLN 44 -10.136 3.289 3.289
326 2HE2 GLN 44 HE21 GLN 44 -11.095 4.106 4.106
327 H TYR 45 HN TYR 45 -7.020 6.629 6.629
328 HA TYR 45 HA TYR 45 -6.574 6.599 6.599
329 1HB TYR 45 HB2 TYR 45 -5.090 5.336 5.336
330 2HB TYR 45 HB3 TYR 45 -4.074 6.141 6.141
331 HD1 TYR 45 HD2 TYR 45 -5.926 5.473 5.473
332 HD2 TYR 45 HD1 TYR 45 -4.276 3.114 3.114
333 HE1 TYR 45 HE2 TYR 45 -6.018 3.409 3.409
334 HE2 TYR 45 HE1 TYR 45 -4.374 1.057 1.057
335 HH TYR 45 HH TYR 45 -4.462 1.043 1.043
336 H GLU 46 HN GLU 46 -7.388 8.908 8.908
337 HA GLU 46 HA GLU 46 -5.759 10.539 10.539
338 1HB GLU 46 HB2 GLU 46 -8.193 10.849 10.849
339 2HB GLU 46 HB3 GLU 46 -7.298 11.656 11.656
340 1HG GLU 46 HG2 GLU 46 -6.310 13.229 13.229
341 2HG GLU 46 HG3 GLU 46 -6.997 12.350 12.350
342 H ILE 47 HN ILE 47 -3.619 9.638 9.638
343 HA ILE 47 HA ILE 47 -2.811 10.286 10.286
344 HB ILE 47 HB ILE 47 -0.572 9.705 9.705
345 1HG1 ILE 47 HG12 ILE 47 -1.930 9.833 9.833
346 2HG1 ILE 47 HG13 ILE 47 -0.408 10.537 10.537
347 1HG2 ILE 47 HG21 ILE 47 -2.865 8.051 8.051
348 2HG2 ILE 47 HG22 ILE 47 -1.890 7.467 7.467
349 3HG2 ILE 47 HG23 ILE 47 -1.159 7.607 7.607
350 1HD1 ILE 47 HD11 ILE 47 -0.146 7.725 7.725
351 2HD1 ILE 47 HD12 ILE 47 -0.894 7.939 7.939
352 3HD1 ILE 47 HD13 ILE 47 0.663 8.720 8.720
353 H LYS 48 HN LYS 48 -0.412 11.602 11.602
354 HA LYS 48 HA LYS 48 -1.129 14.189 14.189
355 1HB LYS 48 HB2 LYS 48 -1.326 13.816 13.816
356 2HB LYS 48 HB3 LYS 48 0.409 14.052 14.052
357 1HG LYS 48 HG2 LYS 48 0.193 16.244 16.244
358 2HG LYS 48 HG3 LYS 48 -1.490 15.983 15.983
359 1HD LYS 48 HD2 LYS 48 -0.898 17.422 17.422
360 2HD LYS 48 HD3 LYS 48 -2.228 16.285 16.285
361 1HE LYS 48 HE2 LYS 48 -0.878 14.642 14.642
362 2HE LYS 48 HE3 LYS 48 0.605 15.509 15.509
363 1HZ LYS 48 HZ3 LYS 48 -1.505 16.845 16.845
364 2HZ LYS 48 HZ1 LYS 48 -0.529 15.783 15.783
365 3HZ LYS 48 HZ2 LYS 48 0.107 17.102 17.102
366 H GLN 49 HN GLN 49 0.887 11.543 11.543
367 HA GLN 49 HA GLN 49 2.858 11.149 11.149
368 1HB GLN 49 HB2 GLN 49 2.658 12.040 12.040
369 2HB GLN 49 HB3 GLN 49 1.902 13.500 13.500
370 1HG GLN 49 HG2 GLN 49 4.024 14.099 14.099
371 2HG GLN 49 HG3 GLN 49 4.156 14.378 14.378
372 1HE2 GLN 49 HE22 GLN 49 5.892 10.918 10.918
373 2HE2 GLN 49 HE21 GLN 49 4.334 11.460 11.460
374 H ILE 50 HN ILE 50 4.793 11.056 11.056
375 HA ILE 50 HA ILE 50 5.817 13.558 13.558
376 HB ILE 50 HB ILE 50 5.650 12.894 12.894
377 1HG1 ILE 50 HG12 ILE 50 6.987 10.404 10.404
378 2HG1 ILE 50 HG13 ILE 50 7.595 11.627 11.627
379 1HG2 ILE 50 HG21 ILE 50 3.494 11.961 11.961
380 2HG2 ILE 50 HG22 ILE 50 4.227 10.365 10.365
381 3HG2 ILE 50 HG23 ILE 50 3.914 11.459 11.459
382 1HD1 ILE 50 HD12 ILE 50 5.308 9.721 9.721
383 2HD1 ILE 50 HD13 ILE 50 7.003 9.473 9.473
384 3HD1 ILE 50 HD11 ILE 50 6.094 10.868 10.868
385 H LYS 51 HN LYS 51 6.297 10.271 10.271
386 HA LYS 51 HA LYS 51 8.944 11.086 11.086
387 1HB LYS 51 HB2 LYS 51 8.678 9.605 9.605
388 2HB LYS 51 HB3 LYS 51 9.048 8.397 8.397
389 1HG LYS 51 HG2 LYS 51 10.831 10.369 10.369
390 2HG LYS 51 HG3 LYS 51 10.735 10.643 10.643
391 1HD LYS 51 HD2 LYS 51 11.740 8.628 8.628
392 2HD LYS 51 HD3 LYS 51 10.992 7.779 7.779
393 1HE LYS 51 HE2 LYS 51 12.600 8.619 8.619
394 2HE LYS 51 HE3 LYS 51 13.160 9.862 9.862
395 1HZ LYS 51 HZ1 LYS 51 13.796 7.901 7.901
396 2HZ LYS 51 HZ2 LYS 51 13.659 6.991 6.991
397 3HZ LYS 51 HZ3 LYS 51 14.733 8.219 8.219
398 H MET 52 HN MET 52 9.861 9.418 9.418
399 HA MET 52 HA MET 52 7.797 7.763 7.763
400 1HB MET 52 HB2 MET 52 8.255 8.744 8.744
401 2HB MET 52 HB3 MET 52 7.547 9.917 9.917
402 1HG MET 52 HG2 MET 52 10.385 10.072 10.072
403 2HG MET 52 HG3 MET 52 10.121 10.018 10.018
404 1HE MET 52 HE3 MET 52 11.485 12.142 12.142
405 2HE MET 52 HE1 MET 52 10.819 12.912 12.912
406 3HE MET 52 HE2 MET 52 10.682 13.726 13.726
407 H PHE 53 HN PHE 53 9.491 6.315 6.315
408 HA PHE 53 HA PHE 53 12.066 6.028 6.028
409 1HB PHE 53 HB2 PHE 53 9.741 4.060 4.060
410 2HB PHE 53 HB3 PHE 53 11.359 3.437 3.437
411 HD1 PHE 53 HD2 PHE 53 13.130 4.840 4.840
412 HD2 PHE 53 HD1 PHE 53 9.060 3.939 3.939
413 HE1 PHE 53 HE2 PHE 53 13.577 5.008 5.008
414 HE2 PHE 53 HE1 PHE 53 9.509 4.107 4.107
415 HZ PHE 53 HZ PHE 53 11.762 4.639 4.639
416 H LYS 54 HN LYS 54 9.742 3.887 3.887
417 HA LYS 54 HA LYS 54 11.272 4.469 4.469
418 1HB LYS 54 HB2 LYS 54 11.481 2.118 2.118
419 2HB LYS 54 HB3 LYS 54 10.158 1.740 1.740
420 1HG LYS 54 HG2 LYS 54 12.268 1.166 1.166
421 2HG LYS 54 HG3 LYS 54 11.541 2.517 2.517
422 1HD LYS 54 HD2 LYS 54 13.321 3.357 3.357
423 2HD LYS 54 HD3 LYS 54 14.152 2.433 2.433
424 1HE LYS 54 HE2 LYS 54 13.868 4.063 4.063
425 2HE LYS 54 HE3 LYS 54 12.283 4.526 4.526
426 1HZ LYS 54 HZ1 LYS 54 14.340 5.114 5.114
427 2HZ LYS 54 HZ2 LYS 54 14.573 5.871 5.871
428 3HZ LYS 54 HZ3 LYS 54 13.179 6.089 6.089
429 H GLY 55 HN GLY 55 9.470 6.124 6.124
430 1HA GLY 55 HA1 GLY 55 7.069 4.830 4.830
431 2HA GLY 55 HA2 GLY 55 6.986 6.253 6.253
432 HA PRO 56 HA PRO 56 7.331 7.833 7.833
433 1HB PRO 56 HB2 PRO 56 5.312 9.669 9.669
434 2HB PRO 56 HB3 PRO 56 5.080 8.039 8.039
435 1HG PRO 56 HG2 PRO 56 4.289 9.183 9.183
436 2HG PRO 56 HG3 PRO 56 3.709 7.725 7.725
437 1HD PRO 56 HD2 PRO 56 5.570 7.881 7.881
438 2HD PRO 56 HD3 PRO 56 5.078 6.434 6.434
439 H GLU 57 HN GLU 57 7.214 10.385 10.385
440 HA GLU 57 HA GLU 57 9.351 11.405 11.405
441 1HB GLU 57 HB2 GLU 57 8.133 12.987 12.987
442 2HB GLU 57 HB3 GLU 57 9.817 12.818 12.818
443 1HG GLU 57 HG2 GLU 57 9.594 10.328 10.328
444 2HG GLU 57 HG3 GLU 57 8.075 10.792 10.792
445 H LYS 58 HN LYS 58 5.903 12.092 12.092
446 HA LYS 58 HA LYS 58 5.995 14.524 14.524
447 1HB LYS 58 HB2 LYS 58 4.564 13.912 13.912
448 2HB LYS 58 HB3 LYS 58 3.450 13.268 13.268
449 1HG LYS 58 HG2 LYS 58 2.687 15.385 15.385
450 2HG LYS 58 HG3 LYS 58 4.207 15.747 15.747
451 1HD LYS 58 HD2 LYS 58 3.868 15.909 15.909
452 2HD LYS 58 HD3 LYS 58 3.545 17.272 17.272
453 1HE LYS 58 HE2 LYS 58 6.089 16.242 16.242
454 2HE LYS 58 HE3 LYS 58 6.109 16.269 16.269
455 1HZ LYS 58 HZ1 LYS 58 4.962 18.618 18.618
456 2HZ LYS 58 HZ2 LYS 58 6.117 18.441 18.441
457 3HZ LYS 58 HZ3 LYS 58 6.521 18.413 18.413
458 H ASP 59 HN ASP 59 3.670 11.756 11.756
459 HA ASP 59 HA ASP 59 4.302 10.574 10.574
460 1HB ASP 59 HB2 ASP 59 4.552 12.516 12.516
461 2HB ASP 59 HB3 ASP 59 3.145 13.297 13.297
462 H ILE 60 HN ILE 60 2.181 9.814 9.814
463 HA ILE 60 HA ILE 60 0.089 9.505 9.505
464 HB ILE 60 HB ILE 60 0.156 8.053 8.053
465 1HG1 ILE 60 HG12 ILE 60 2.481 7.989 7.989
466 2HG1 ILE 60 HG13 ILE 60 1.712 6.414 6.414
467 1HG2 ILE 60 HG23 ILE 60 -1.615 7.960 7.960
468 2HG2 ILE 60 HG21 ILE 60 -0.440 6.793 6.793
469 3HG2 ILE 60 HG22 ILE 60 -1.170 6.519 6.519
470 1HD1 ILE 60 HD11 ILE 60 1.639 8.124 8.124
471 2HD1 ILE 60 HD12 ILE 60 3.053 7.110 7.110
472 3HD1 ILE 60 HD13 ILE 60 1.455 6.360 6.360
473 H GLU 61 HN GLU 61 0.086 9.794 9.794
474 HA GLU 61 HA GLU 61 -1.029 11.110 11.110
475 1HB GLU 61 HB2 GLU 61 -0.928 12.716 12.716
476 2HB GLU 61 HB3 GLU 61 -2.479 12.953 12.953
477 1HG GLU 61 HG2 GLU 61 -0.779 13.029 13.029
478 2HG GLU 61 HG3 GLU 61 0.246 13.713 13.713
479 H PHE 62 HN PHE 62 -2.325 9.192 9.192
480 HA PHE 62 HA PHE 62 -4.838 9.024 9.024
481 1HB PHE 62 HB2 PHE 62 -4.375 10.206 10.206
482 2HB PHE 62 HB3 PHE 62 -5.448 8.826 8.826
483 HD1 PHE 62 HD1 PHE 62 -7.621 8.839 8.839
484 HD2 PHE 62 HD2 PHE 62 -5.090 12.247 12.247
485 HE1 PHE 62 HE1 PHE 62 -9.547 10.272 10.272
486 HE2 PHE 62 HE2 PHE 62 -7.017 13.680 13.680
487 HZ PHE 62 HZ PHE 62 -9.223 12.676 12.676
488 H ILE 63 HN ILE 63 -4.380 6.931 6.931
489 HA ILE 63 HA ILE 63 -3.776 4.991 4.991
490 HB ILE 63 HB ILE 63 -3.460 4.375 4.375
491 1HG1 ILE 63 HG12 ILE 63 -2.340 6.698 6.698
492 2HG1 ILE 63 HG13 ILE 63 -1.767 5.770 5.770
493 1HG2 ILE 63 HG22 ILE 63 -2.210 3.503 3.503
494 2HG2 ILE 63 HG23 ILE 63 -1.417 3.189 3.189
495 3HG2 ILE 63 HG21 ILE 63 -3.039 2.530 2.530
496 1HD1 ILE 63 HD11 ILE 63 -0.866 5.217 5.217
497 2HD1 ILE 63 HD12 ILE 63 0.005 6.303 6.303
498 3HD1 ILE 63 HD13 ILE 63 -0.156 4.575 4.575
499 H TYR 64 HN TYR 64 -4.741 2.718 2.718
500 HA TYR 64 HA TYR 64 -7.494 3.132 3.132
501 1HB TYR 64 HB2 TYR 64 -6.247 1.476 1.476
502 2HB TYR 64 HB3 TYR 64 -7.907 1.247 1.247
503 HD1 TYR 64 HD1 TYR 64 -5.717 4.186 4.186
504 HD2 TYR 64 HD2 TYR 64 -9.478 2.218 2.218
505 HE1 TYR 64 HE1 TYR 64 -6.464 6.029 6.029
506 HE2 TYR 64 HE2 TYR 64 -10.213 4.070 4.070
507 HH TYR 64 HH TYR 64 -8.156 6.136 6.136
508 H THR 65 HN THR 65 -8.551 1.175 1.175
509 HA THR 65 HA THR 65 -7.154 -1.195 -1.195
510 HB THR 65 HB THR 65 -5.722 0.352 0.352
511 HG1 THR 65 HG1 THR 65 -6.492 -1.979 -1.979
512 1HG2 THR 65 HG22 THR 65 -8.432 0.997 0.997
513 2HG2 THR 65 HG23 THR 65 -7.099 0.789 0.789
514 3HG2 THR 65 HG21 THR 65 -6.983 2.025 2.025
515 H ALA 66 HN ALA 66 -8.277 -1.838 -1.838
516 HA ALA 66 HA ALA 66 -11.048 -2.041 -2.041
517 1HB ALA 66 HB3 ALA 66 -9.384 -3.447 -3.447
518 2HB ALA 66 HB1 ALA 66 -11.121 -3.744 -3.744
519 3HB ALA 66 HB2 ALA 66 -9.954 -4.115 -4.115
520 HA PRO 67 HA PRO 67 -12.426 0.778 0.778
521 1HB PRO 67 HB2 PRO 67 -14.989 -0.070 -0.070
522 2HB PRO 67 HB3 PRO 67 -14.516 0.889 0.889
523 1HG PRO 67 HG2 PRO 67 -15.146 -1.996 -1.996
524 2HG PRO 67 HG3 PRO 67 -15.093 -0.947 -0.947
525 1HD PRO 67 HD2 PRO 67 -13.109 -2.864 -2.864
526 2HD PRO 67 HD3 PRO 67 -13.003 -1.734 -1.734
527 H SER 68 HN SER 68 -13.733 -2.369 -2.369
528 HA SER 68 HA SER 68 -13.948 -1.992 -1.992
529 1HB SER 68 HB2 SER 68 -13.405 -4.278 -4.278
530 2HB SER 68 HB3 SER 68 -12.642 -4.511 -4.511
531 HG SER 68 HG SER 68 -15.404 -4.296 -4.296
532 H SER 69 HN SER 69 -12.439 -2.893 -2.893
533 HA SER 69 HA SER 69 -10.422 -1.271 -1.271
534 1HB SER 69 HB2 SER 69 -9.392 -3.175 -3.175
535 2HB SER 69 HB3 SER 69 -11.049 -2.723 -2.723
536 HG SER 69 HG SER 69 -10.459 -4.835 -4.835
537 H ALA 70 HN ALA 70 -10.378 -4.081 -4.081
538 HA ALA 70 HA ALA 70 -8.528 -3.417 -3.417
539 1HB ALA 70 HB1 ALA 70 -7.167 -4.023 -4.023
540 2HB ALA 70 HB2 ALA 70 -6.386 -4.573 -4.573
541 3HB ALA 70 HB3 ALA 70 -6.738 -2.845 -2.845
542 H VAL 71 HN VAL 71 -9.720 -4.899 -4.899
543 HA VAL 71 HA VAL 71 -9.485 -7.699 -7.699
544 HB VAL 71 HB VAL 71 -11.565 -8.038 -8.038
545 1HG1 VAL 71 HG13 VAL 71 -11.685 -5.933 -5.933
546 2HG1 VAL 71 HG11 VAL 71 -11.782 -5.017 -5.017
547 3HG1 VAL 71 HG12 VAL 71 -13.056 -6.188 -6.188
548 1HG2 VAL 71 HG21 VAL 71 -10.925 -6.190 -6.190
549 2HG2 VAL 71 HG22 VAL 71 -11.095 -7.962 -7.962
550 3HG2 VAL 71 HG23 VAL 71 -12.524 -6.934 -6.934
551 H CYS 72 HN CYS 72 -9.156 -5.404 -5.404
552 HA CYS 72 HA CYS 72 -7.503 -7.455 -7.455
553 1HB CYS 72 HB2 CYS 72 -8.936 -5.240 -5.240
554 2HB CYS 72 HB3 CYS 72 -8.157 -6.658 -6.658
555 H GLY 73 HN GLY 73 -7.030 -5.169 -5.169
556 1HA GLY 73 HA1 GLY 73 -4.618 -4.172 -4.172
557 2HA GLY 73 HA2 GLY 73 -5.833 -2.944 -2.944
558 H VAL 74 HN VAL 74 -4.328 -1.953 -1.953
559 HA VAL 74 HA VAL 74 -4.178 -3.467 -3.467
560 HB VAL 74 HB VAL 74 -2.399 -1.286 -1.286
561 1HG1 VAL 74 HG11 VAL 74 -2.639 -2.505 -2.505
562 2HG1 VAL 74 HG12 VAL 74 -1.007 -2.163 -2.163
563 3HG1 VAL 74 HG13 VAL 74 -2.199 -0.849 -0.849
564 1HG2 VAL 74 HG23 VAL 74 -2.320 -3.799 -3.799
565 2HG2 VAL 74 HG21 VAL 74 -0.826 -2.888 -2.888
566 3HG2 VAL 74 HG22 VAL 74 -1.443 -4.037 -4.037
567 H SER 75 HN SER 75 -5.540 -0.769 -0.769
568 HA SER 75 HA SER 75 -6.699 0.972 0.972
569 1HB SER 75 HB2 SER 75 -7.790 -1.239 -1.239
570 2HB SER 75 HB3 SER 75 -7.629 -0.110 -0.110
571 HG SER 75 HG SER 75 -8.704 0.935 0.935
572 H LEU 76 HN LEU 76 -4.897 2.412 2.412
573 HA LEU 76 HA LEU 76 -4.142 2.691 2.691
574 1HB LEU 76 HB2 LEU 76 -2.677 4.085 4.085
575 2HB LEU 76 HB3 LEU 76 -2.093 3.444 3.444
576 HG LEU 76 HG LEU 76 -2.805 1.139 1.139
577 1HD1 LEU 76 HD12 LEU 76 -3.123 2.864 2.864
578 2HD1 LEU 76 HD13 LEU 76 -1.384 2.533 2.533
579 3HD1 LEU 76 HD11 LEU 76 -2.554 1.192 1.192
580 1HD2 LEU 76 HD23 LEU 76 -0.442 2.437 2.437
581 2HD2 LEU 76 HD21 LEU 76 -0.712 0.703 0.703
582 3HD2 LEU 76 HD22 LEU 76 -0.106 1.749 1.749
583 H ASP 77 HN ASP 77 -4.679 4.507 4.507
584 HA ASP 77 HA ASP 77 -6.077 6.541 6.541
585 1HB ASP 77 HB2 ASP 77 -6.937 7.044 7.044
586 2HB ASP 77 HB3 ASP 77 -7.739 5.889 5.889
587 H VAL 78 HN VAL 78 -3.213 5.782 5.782
588 HA VAL 78 HA VAL 78 -1.469 7.012 7.012
589 HB VAL 78 HB VAL 78 -3.217 9.017 9.017
590 1HG1 VAL 78 HG13 VAL 78 -1.366 9.750 9.750
591 2HG1 VAL 78 HG11 VAL 78 -1.436 10.809 10.809
592 3HG1 VAL 78 HG12 VAL 78 -2.912 10.480 10.480
593 1HG2 VAL 78 HG21 VAL 78 -0.738 7.693 7.693
594 2HG2 VAL 78 HG22 VAL 78 -1.643 8.788 8.788
595 3HG2 VAL 78 HG23 VAL 78 -0.423 9.444 9.444
596 H GLY 79 HN GLY 79 -4.557 8.557 8.557
597 1HA GLY 79 HA1 GLY 79 -3.722 9.573 9.573
598 2HA GLY 79 HA2 GLY 79 -5.321 8.926 8.926
599 H GLY 80 HN GLY 80 -3.737 6.232 6.232
600 1HA GLY 80 HA1 GLY 80 -3.555 5.377 5.377
601 2HA GLY 80 HA2 GLY 80 -4.162 4.383 4.383
602 H LYS 81 HN LYS 81 -2.125 5.317 5.317
603 HA LYS 81 HA LYS 81 0.129 3.793 3.793
604 1HB LYS 81 HB2 LYS 81 0.372 4.019 4.019
605 2HB LYS 81 HB3 LYS 81 -0.022 2.594 2.594
606 1HG LYS 81 HG2 LYS 81 -2.107 4.653 4.653
607 2HG LYS 81 HG3 LYS 81 -1.726 3.229 3.229
608 1HD LYS 81 HD2 LYS 81 -2.764 1.785 1.785
609 2HD LYS 81 HD3 LYS 81 -2.297 2.716 2.716
610 1HE LYS 81 HE2 LYS 81 -4.384 3.601 3.601
611 2HE LYS 81 HE3 LYS 81 -4.068 4.402 4.402
612 1HZ LYS 81 HZ1 LYS 81 -4.773 1.602 1.602
613 2HZ LYS 81 HZ2 LYS 81 -5.964 2.649 2.649
614 3HZ LYS 81 HZ3 LYS 81 -5.161 2.815 2.815
615 H LYS 82 HN LYS 82 0.343 5.782 5.782
616 HA LYS 82 HA LYS 82 1.072 8.204 8.204
617 1HB LYS 82 HB2 LYS 82 3.625 7.986 7.986
618 2HB LYS 82 HB3 LYS 82 2.683 7.516 7.516
619 1HG LYS 82 HG2 LYS 82 2.832 5.171 5.171
620 2HG LYS 82 HG3 LYS 82 4.432 5.878 5.878
621 1HD LYS 82 HD2 LYS 82 4.909 5.171 5.171
622 2HD LYS 82 HD3 LYS 82 3.563 6.092 6.092
623 1HE LYS 82 HE2 LYS 82 2.082 4.263 4.263
624 2HE LYS 82 HE3 LYS 82 2.966 3.467 3.467
625 1HZ LYS 82 HZ2 LYS 82 3.977 3.777 3.777
626 2HZ LYS 82 HZ3 LYS 82 3.267 2.425 2.425
627 3HZ LYS 82 HZ1 LYS 82 4.688 2.932 2.932
628 H GLU 83 HN GLU 83 3.294 5.958 5.958
629 HA GLU 83 HA GLU 83 2.222 6.915 6.915
630 1HB GLU 83 HB2 GLU 83 5.198 7.273 7.273
631 2HB GLU 83 HB3 GLU 83 4.240 7.894 7.894
632 1HG GLU 83 HG2 GLU 83 4.465 9.799 9.799
633 2HG GLU 83 HG3 GLU 83 2.901 9.188 9.188
634 H TYR 84 HN TYR 84 3.132 5.677 5.677
635 HA TYR 84 HA TYR 84 4.570 3.258 3.258
636 1HB TYR 84 HB2 TYR 84 2.793 1.986 1.986
637 2HB TYR 84 HB3 TYR 84 2.148 2.711 2.711
638 HD1 TYR 84 HD2 TYR 84 2.738 3.771 3.771
639 HD2 TYR 84 HD1 TYR 84 0.069 3.698 3.698
640 HE1 TYR 84 HE2 TYR 84 0.972 4.980 4.980
641 HE2 TYR 84 HE1 TYR 84 -1.688 4.907 4.907
642 HH TYR 84 HH TYR 84 -1.632 5.070 5.070
643 H LEU 85 HN LEU 85 5.558 2.140 2.140
644 HA LEU 85 HA LEU 85 6.284 4.027 4.027
645 1HB LEU 85 HB2 LEU 85 7.864 2.226 2.226
646 2HB LEU 85 HB3 LEU 85 8.068 2.842 2.842
647 HG LEU 85 HG LEU 85 8.212 0.279 0.279
648 1HD1 LEU 85 HD11 LEU 85 7.549 1.845 1.845
649 2HD1 LEU 85 HD12 LEU 85 6.589 0.347 0.347
650 3HD1 LEU 85 HD13 LEU 85 8.362 0.263 0.263
651 1HD2 LEU 85 HD22 LEU 85 6.038 0.158 0.158
652 2HD2 LEU 85 HD23 LEU 85 6.139 -0.943 -0.943
653 3HD2 LEU 85 HD21 LEU 85 5.217 0.573 0.573
654 H ILE 86 HN ILE 86 3.636 2.115 2.115
655 HA ILE 86 HA ILE 86 2.599 0.588 0.588
656 HB ILE 86 HB ILE 86 2.057 3.418 3.418
657 1HG1 ILE 86 HG12 ILE 86 -0.190 2.714 2.714
658 2HG1 ILE 86 HG13 ILE 86 0.121 1.118 1.118
659 1HG2 ILE 86 HG21 ILE 86 1.618 1.837 1.837
660 2HG2 ILE 86 HG22 ILE 86 0.484 3.125 3.125
661 3HG2 ILE 86 HG23 ILE 86 2.203 3.505 3.505
662 1HD1 ILE 86 HD11 ILE 86 1.963 1.708 1.708
663 2HD1 ILE 86 HD12 ILE 86 0.266 1.881 1.881
664 3HD1 ILE 86 HD13 ILE 86 0.834 0.345 0.345
665 H ALA 87 HN ALA 87 3.814 -0.799 -0.799
666 HA ALA 87 HA ALA 87 4.730 0.314 0.314
667 1HB ALA 87 HB3 ALA 87 6.194 -1.081 -1.081
668 2HB ALA 87 HB1 ALA 87 6.292 -1.949 -1.949
669 3HB ALA 87 HB2 ALA 87 6.809 -0.249 -0.249
670 H GLY 88 HN GLY 88 3.250 -0.380 -0.380
671 1HA GLY 88 HA1 GLY 88 2.831 -3.243 -3.243
672 2HA GLY 88 HA2 GLY 88 1.401 -2.306 -2.306
673 H LYS 89 HN LYS 89 1.584 -3.733 -3.733
674 HA LYS 89 HA LYS 89 2.627 -2.521 -2.521
675 1HB LYS 89 HB2 LYS 89 0.622 -4.474 -4.474
676 2HB LYS 89 HB3 LYS 89 -0.020 -3.396 -3.396
677 1HG LYS 89 HG2 LYS 89 1.629 -3.940 -3.940
678 2HG LYS 89 HG3 LYS 89 2.831 -4.293 -4.293
679 1HD LYS 89 HD2 LYS 89 1.656 -6.404 -6.404
680 2HD LYS 89 HD3 LYS 89 0.395 -6.043 -6.043
681 1HE LYS 89 HE2 LYS 89 3.003 -5.858 -5.858
682 2HE LYS 89 HE3 LYS 89 2.859 -7.403 -7.403
683 1HZ LYS 89 HZ1 LYS 89 0.462 -7.098 -7.098
684 2HZ LYS 89 HZ2 LYS 89 1.467 -6.447 -6.447
685 3HZ LYS 89 HZ3 LYS 89 1.697 -7.982 -7.982
686 H ALA 90 HN ALA 90 2.749 -0.281 -0.281
687 HA ALA 90 HA ALA 90 0.799 1.476 1.476
688 1HB ALA 90 HB2 ALA 90 3.315 1.520 1.520
689 2HB ALA 90 HB3 ALA 90 2.191 2.484 2.484
690 3HB ALA 90 HB1 ALA 90 2.437 2.888 2.888
691 H GLU 91 HN GLU 91 -0.147 3.122 3.122
692 HA GLU 91 HA GLU 91 -1.612 1.350 1.350
693 1HB GLU 91 HB2 GLU 91 -2.968 2.290 2.290
694 2HB GLU 91 HB3 GLU 91 -2.675 3.899 3.899
695 1HG GLU 91 HG2 GLU 91 -3.851 3.394 3.394
696 2HG GLU 91 HG3 GLU 91 -3.927 1.686 1.686
697 H GLY 92 HN GLY 92 -0.081 4.543 4.543
698 1HA GLY 92 HA1 GLY 92 1.088 4.953 4.953
699 2HA GLY 92 HA2 GLY 92 -0.566 5.389 5.389
700 H ASP 93 HN ASP 93 1.487 5.845 5.845
701 HA ASP 93 HA ASP 93 1.948 7.597 7.597
702 1HB ASP 93 HB2 ASP 93 1.520 9.351 9.351
703 2HB ASP 93 HB3 ASP 93 2.597 9.652 9.652
704 H GLY 94 HN GLY 94 0.927 9.474 9.474
705 1HA GLY 94 HA1 GLY 94 -0.796 10.727 10.727
706 2HA GLY 94 HA2 GLY 94 -1.464 10.682 10.682
707 H LYS 95 HN LYS 95 -1.000 7.469 7.469
708 HA LYS 95 HA LYS 95 -2.934 6.856 6.856
709 1HB LYS 95 HB2 LYS 95 -4.944 6.634 6.634
710 2HB LYS 95 HB3 LYS 95 -4.317 8.050 8.050
711 1HG LYS 95 HG2 LYS 95 -4.002 5.193 5.193
712 2HG LYS 95 HG3 LYS 95 -5.261 6.291 6.291
713 1HD LYS 95 HD2 LYS 95 -2.255 6.753 6.753
714 2HD LYS 95 HD3 LYS 95 -3.354 6.306 6.306
715 1HE LYS 95 HE2 LYS 95 -3.278 8.923 8.923
716 2HE LYS 95 HE3 LYS 95 -3.047 8.694 8.694
717 1HZ LYS 95 HZ2 LYS 95 -5.460 7.654 7.654
718 2HZ LYS 95 HZ3 LYS 95 -5.482 8.820 8.820
719 3HZ LYS 95 HZ1 LYS 95 -5.197 9.211 9.211
720 H MET 96 HN MET 96 -2.919 4.636 4.636
721 HA MET 96 HA MET 96 -1.799 2.954 2.954
722 1HB MET 96 HB2 MET 96 -0.310 1.996 1.996
723 2HB MET 96 HB3 MET 96 0.272 3.322 3.322
724 1HG MET 96 HG2 MET 96 0.141 4.816 4.816
725 2HG MET 96 HG3 MET 96 -1.450 4.260 4.260
726 1HE MET 96 HE1 MET 96 2.042 4.461 4.461
727 2HE MET 96 HE2 MET 96 1.629 4.717 4.717
728 3HE MET 96 HE3 MET 96 2.586 3.297 3.297
729 H HIS 97 HN HIS 97 -1.432 0.602 0.602
730 HA HIS 97 HA HIS 97 -4.001 0.257 0.257
731 1HB HIS 97 HB2 HIS 97 -3.373 -0.735 -0.735
732 2HB HIS 97 HB3 HIS 97 -3.156 -2.107 -2.107
733 HD1 HIS 97 HD1 HIS 97 -5.257 -3.388 -3.388
734 HD2 HIS 97 HD2 HIS 97 -6.049 0.528 0.528
735 HE1 HIS 97 HE1 HIS 97 -7.793 -3.207 -3.207
736 H ILE 98 HN ILE 98 -3.804 -0.664 -0.664
737 HA ILE 98 HA ILE 98 -1.457 -2.339 -2.339
738 HB ILE 98 HB ILE 98 -0.900 -1.225 -1.225
739 1HG1 ILE 98 HG12 ILE 98 -3.437 0.333 0.333
740 2HG1 ILE 98 HG13 ILE 98 -2.935 -0.566 -0.566
741 1HG2 ILE 98 HG22 ILE 98 -0.391 -0.213 -0.213
742 2HG2 ILE 98 HG23 ILE 98 -1.202 1.186 1.186
743 3HG2 ILE 98 HG21 ILE 98 0.244 0.484 0.484
744 1HD1 ILE 98 HD12 ILE 98 -0.997 1.538 1.538
745 2HD1 ILE 98 HD13 ILE 98 -2.628 2.190 2.190
746 3HD1 ILE 98 HD11 ILE 98 -1.826 1.221 1.221
747 H THR 99 HN THR 99 -1.768 -3.939 -3.939
748 HA THR 99 HA THR 99 -4.416 -4.080 -4.080
749 HB THR 99 HB THR 99 -4.164 -6.649 -6.649
750 HG1 THR 99 HG1 THR 99 -3.382 -6.304 -6.304
751 1HG2 THR 99 HG22 THR 99 -5.751 -4.299 -4.299
752 2HG2 THR 99 HG23 THR 99 -5.323 -5.169 -5.169
753 3HG2 THR 99 HG21 THR 99 -6.185 -6.015 -6.015
754 H LEU 100 HN LEU 100 -4.543 -5.994 -5.994
755 HA LEU 100 HA LEU 100 -2.410 -5.768 -5.768
756 1HB LEU 100 HB2 LEU 100 -3.680 -7.000 -7.000
757 2HB LEU 100 HB3 LEU 100 -4.914 -6.441 -6.441
758 HG LEU 100 HG LEU 100 -3.573 -9.129 -9.129
759 1HD1 LEU 100 HD13 LEU 100 -4.628 -8.861 -8.861
760 2HD1 LEU 100 HD11 LEU 100 -6.189 -8.668 -8.668
761 3HD1 LEU 100 HD12 LEU 100 -5.270 -10.184 -10.184
762 1HD2 LEU 100 HD21 LEU 100 -5.222 -7.717 -7.717
763 2HD2 LEU 100 HD22 LEU 100 -4.964 -9.478 -9.478
764 3HD2 LEU 100 HD23 LEU 100 -6.358 -8.793 -8.793
765 H CYS 101 HN CYS 101 -3.332 -8.394 -8.394
766 HA CYS 101 HA CYS 101 -1.238 -10.086 -10.086
767 1HB CYS 101 HB2 CYS 101 -3.371 -10.493 -10.493
768 2HB CYS 101 HB3 CYS 101 -2.392 -9.957 -9.957
769 H ASP 102 HN ASP 102 -1.393 -7.068 -7.068
770 HA ASP 102 HA ASP 102 0.980 -7.565 -7.565
771 1HB ASP 102 HB2 ASP 102 -1.104 -5.924 -5.924
772 2HB ASP 102 HB3 ASP 102 -0.129 -4.799 -4.799
773 H PHE 103 HN PHE 103 2.828 -5.788 -5.788
774 HA PHE 103 HA PHE 103 3.746 -5.893 -5.893
775 1HB PHE 103 HB2 PHE 103 5.327 -5.988 -5.988
776 2HB PHE 103 HB3 PHE 103 4.584 -4.621 -4.621
777 HD1 PHE 103 HD2 PHE 103 5.117 -4.316 -4.316
778 HD2 PHE 103 HD1 PHE 103 6.869 -3.682 -3.682
779 HE1 PHE 103 HE2 PHE 103 6.814 -2.784 -2.784
780 HE2 PHE 103 HE1 PHE 103 8.567 -2.150 -2.150
781 HZ PHE 103 HZ PHE 103 8.520 -1.719 -1.719
782 H ILE 104 HN ILE 104 3.154 -4.553 -4.553
783 HA ILE 104 HA ILE 104 3.155 -1.740 -1.740
784 HB ILE 104 HB ILE 104 0.714 -1.591 -1.591
785 1HG1 ILE 104 HG12 ILE 104 0.625 -4.255 -4.255
786 2HG1 ILE 104 HG13 ILE 104 0.386 -4.016 -4.016
787 1HG2 ILE 104 HG22 ILE 104 1.927 -1.166 -1.166
788 2HG2 ILE 104 HG23 ILE 104 0.587 -2.254 -2.254
789 3HG2 ILE 104 HG21 ILE 104 0.253 -0.724 -0.724
790 1HD1 ILE 104 HD13 ILE 104 -1.528 -2.413 -2.413
791 2HD1 ILE 104 HD11 ILE 104 -1.364 -2.984 -2.984
792 3HD1 ILE 104 HD12 ILE 104 -1.810 -4.127 -4.127
793 H VAL 105 HN VAL 105 3.600 -0.710 -0.710
794 HA VAL 105 HA VAL 105 2.942 -1.965 -1.965
795 HB VAL 105 HB VAL 105 5.653 -1.655 -1.655
796 1HG1 VAL 105 HG11 VAL 105 3.817 -4.000 -4.000
797 2HG1 VAL 105 HG12 VAL 105 5.565 -4.283 -4.283
798 3HG1 VAL 105 HG13 VAL 105 4.659 -3.435 -3.435
799 1HG2 VAL 105 HG23 VAL 105 6.037 -1.489 -1.489
800 2HG2 VAL 105 HG21 VAL 105 6.762 -2.967 -2.967
801 3HG2 VAL 105 HG22 VAL 105 5.236 -3.060 -3.060
802 HA PRO 106 HA PRO 106 3.200 2.187 2.187
803 1HB PRO 106 HB2 PRO 106 3.516 2.022 2.022
804 2HB PRO 106 HB3 PRO 106 1.969 1.820 1.820
805 1HG PRO 106 HG2 PRO 106 3.724 -0.240 -0.240
806 2HG PRO 106 HG3 PRO 106 2.024 -0.350 -0.350
807 1HD PRO 106 HD2 PRO 106 4.220 -1.459 -1.459
808 2HD PRO 106 HD3 PRO 106 2.532 -1.468 -1.468
809 H TRP 107 HN TRP 107 5.803 0.412 0.412
810 HA TRP 107 HA TRP 107 7.939 0.986 0.986
811 1HB TRP 107 HB2 TRP 107 6.910 3.304 3.304
812 2HB TRP 107 HB3 TRP 107 7.433 3.731 3.731
813 HD1 TRP 107 HD1 TRP 107 9.367 1.776 1.776
814 HE1 TRP 107 HE1 TRP 107 11.730 2.871 2.871
815 HE3 TRP 107 HE3 TRP 107 8.773 5.582 5.582
816 HZ2 TRP 107 HZ2 TRP 107 13.057 5.156 5.156
817 HZ3 TRP 107 HZ3 TRP 107 10.651 7.203 7.203
818 HH2 TRP 107 HH2 TRP 107 12.736 7.034 7.034
819 H ASP 108 HN ASP 108 6.585 2.626 2.626
820 HA ASP 108 HA ASP 108 8.831 2.016 2.016
821 1HB ASP 108 HB2 ASP 108 7.206 3.841 3.841
822 2HB ASP 108 HB3 ASP 108 5.963 2.649 2.649
823 H THR 109 HN THR 109 8.318 -0.407 -0.407
824 HA THR 109 HA THR 109 7.711 -2.088 -2.088
825 HB THR 109 HB THR 109 5.854 -3.292 -3.292
826 HG1 THR 109 HG1 THR 109 5.993 -2.366 -2.366
827 1HG2 THR 109 HG23 THR 109 5.382 -1.580 -1.580
828 2HG2 THR 109 HG21 THR 109 5.179 -0.371 -0.371
829 3HG2 THR 109 HG22 THR 109 4.090 -1.777 -1.777
830 H LEU 110 HN LEU 110 8.114 -1.911 -1.911
831 HA LEU 110 HA LEU 110 8.897 -3.865 -3.865
832 1HB LEU 110 HB2 LEU 110 11.184 -2.105 -2.105
833 2HB LEU 110 HB3 LEU 110 11.186 -3.164 -3.164
834 HG LEU 110 HG LEU 110 9.276 -0.839 -0.839
835 1HD1 LEU 110 HD11 LEU 110 11.863 -0.384 -0.384
836 2HD1 LEU 110 HD12 LEU 110 11.592 -0.746 -0.746
837 3HD1 LEU 110 HD13 LEU 110 10.696 0.577 0.577
838 1HD2 LEU 110 HD23 LEU 110 9.201 -3.024 -3.024
839 2HD2 LEU 110 HD21 LEU 110 8.276 -1.508 -1.508
840 3HD2 LEU 110 HD22 LEU 110 9.831 -1.672 -1.672
841 H SER 111 HN SER 111 11.937 -3.621 -3.621
842 HA SER 111 HA SER 111 11.992 -5.064 -5.064
843 1HB SER 111 HB2 SER 111 11.007 -6.874 -6.874
844 2HB SER 111 HB3 SER 111 12.194 -7.551 -7.551
845 HG SER 111 HG SER 111 10.158 -7.959 -7.959
846 H THR 112 HN THR 112 13.043 -5.278 -5.278
847 HA THR 112 HA THR 112 15.530 -4.412 -4.412
848 HB THR 112 HB THR 112 15.324 -7.071 -7.071
849 HG1 THR 112 HG1 THR 112 17.330 -5.936 -5.936
850 1HG2 THR 112 HG21 THR 112 17.490 -6.338 -6.338
851 2HG2 THR 112 HG22 THR 112 17.877 -7.308 -7.308
852 3HG2 THR 112 HG23 THR 112 16.703 -7.915 -7.915
853 H THR 113 HN THR 113 14.276 -7.678 -7.678
854 HA THR 113 HA THR 113 15.531 -7.733 -7.733
855 HB THR 113 HB THR 113 12.924 -8.933 -8.933
856 HG1 THR 113 HG1 THR 113 15.230 -9.390 -9.390
857 1HG2 THR 113 HG23 THR 113 14.465 -9.450 -9.450
858 2HG2 THR 113 HG21 THR 113 13.409 -10.675 -10.675
859 3HG2 THR 113 HG22 THR 113 12.722 -9.134 -9.134
860 H GLN 114 HN GLN 114 12.779 -5.816 -5.816
861 HA GLN 114 HA GLN 114 11.940 -5.328 -5.328
862 1HB GLN 114 HB2 GLN 114 11.065 -4.453 -4.453
863 2HB GLN 114 HB3 GLN 114 10.577 -3.469 -3.469
864 1HG GLN 114 HG2 GLN 114 8.816 -4.962 -4.962
865 2HG GLN 114 HG3 GLN 114 9.933 -5.884 -5.884
866 1HE2 GLN 114 HE22 GLN 114 10.935 -8.105 -8.105
867 2HE2 GLN 114 HE21 GLN 114 11.618 -7.121 -7.121
868 H LYS 115 HN LYS 115 13.898 -3.733 -3.733
869 HA LYS 115 HA LYS 115 14.091 -1.251 -1.251
870 1HB LYS 115 HB2 LYS 115 15.192 -2.538 -2.538
871 2HB LYS 115 HB3 LYS 115 16.300 -1.415 -1.415
872 1HG LYS 115 HG2 LYS 115 14.948 0.427 0.427
873 2HG LYS 115 HG3 LYS 115 13.462 -0.486 -0.486
874 1HD LYS 115 HD2 LYS 115 15.341 -0.461 -0.461
875 2HD LYS 115 HD3 LYS 115 13.702 0.158 0.158
876 1HE LYS 115 HE2 LYS 115 13.025 -2.299 -2.299
877 2HE LYS 115 HE3 LYS 115 14.615 -2.741 -2.741
878 1HZ LYS 115 HZ3 LYS 115 13.904 -1.358 -1.358
879 2HZ LYS 115 HZ1 LYS 115 12.384 -1.607 -1.607
880 3HZ LYS 115 HZ2 LYS 115 13.335 -2.880 -2.880
881 H LYS 116 HN LYS 116 16.081 -4.255 -4.255
882 HA LYS 116 HA LYS 116 18.173 -3.212 -3.212
883 1HB LYS 116 HB2 LYS 116 18.973 -5.428 -5.428
884 2HB LYS 116 HB3 LYS 116 18.197 -5.272 -5.272
885 1HG LYS 116 HG2 LYS 116 16.976 -7.109 -7.109
886 2HG LYS 116 HG3 LYS 116 16.096 -6.095 -6.095
887 1HD LYS 116 HD2 LYS 116 18.724 -7.125 -7.125
888 2HD LYS 116 HD3 LYS 116 17.494 -8.345 -8.345
889 1HE LYS 116 HE2 LYS 116 16.478 -7.753 -7.753
890 2HE LYS 116 HE3 LYS 116 16.204 -6.139 -6.139
891 1HZ LYS 116 HZ3 LYS 116 18.654 -5.812 -5.812
892 2HZ LYS 116 HZ1 LYS 116 18.425 -7.104 -7.104
893 3HZ LYS 116 HZ2 LYS 116 17.514 -5.762 -5.762
894 H SER 117 HN SER 117 14.897 -3.911 -3.911
895 HA SER 117 HA SER 117 15.539 -4.442 -4.442
896 1HB SER 117 HB2 SER 117 13.458 -5.257 -5.257
897 2HB SER 117 HB3 SER 117 12.689 -4.151 -4.151
898 HG SER 117 HG SER 117 13.808 -5.447 -5.447
899 H LEU 118 HN LEU 118 14.487 -1.892 -1.892
900 HA LEU 118 HA LEU 118 13.191 -0.244 -0.244
901 1HB LEU 118 HB2 LEU 118 14.402 0.065 0.065
902 2HB LEU 118 HB3 LEU 118 14.077 1.521 1.521
903 HG LEU 118 HG LEU 118 11.787 -0.280 -0.280
904 1HD1 LEU 118 HD11 LEU 118 13.023 0.414 0.414
905 2HD1 LEU 118 HD12 LEU 118 11.256 0.279 0.279
906 3HD1 LEU 118 HD13 LEU 118 12.296 -1.115 -1.115
907 1HD2 LEU 118 HD21 LEU 118 12.373 2.509 2.509
908 2HD2 LEU 118 HD22 LEU 118 10.821 1.691 1.691
909 3HD2 LEU 118 HD23 LEU 118 11.269 2.171 2.171
910 H ASN 119 HN ASN 119 16.591 -0.955 -0.955
911 HA ASN 119 HA ASN 119 17.441 1.347 1.347
912 1HB ASN 119 HB2 ASN 119 19.743 0.436 0.436
913 2HB ASN 119 HB3 ASN 119 18.802 0.599 0.599
914 1HD2 ASN 119 HD22 ASN 119 19.846 -3.090 -3.090
915 2HD2 ASN 119 HD21 ASN 119 19.952 -1.632 -1.632
916 H HIS 120 HN HIS 120 16.200 -1.721 -1.721
917 HA HIS 120 HA HIS 120 17.968 -2.251 -2.251
918 1HB HIS 120 HB2 HIS 120 16.006 -3.768 -3.768
919 2HB HIS 120 HB3 HIS 120 15.965 -4.126 -4.126
920 HD1 HIS 120 HD1 HIS 120 16.905 -6.536 -6.536
921 HD2 HIS 120 HD2 HIS 120 19.507 -3.336 -3.336
922 HE1 HIS 120 HE1 HIS 120 19.213 -7.563 -7.563
923 H ARG 121 HN ARG 121 16.386 0.232 0.232
924 HA ARG 121 HA ARG 121 14.893 1.346 1.346
925 1HB ARG 121 HB2 ARG 121 16.318 -0.347 -0.347
926 2HB ARG 121 HB3 ARG 121 15.044 0.736 0.736
927 1HG ARG 121 HG2 ARG 121 17.366 1.756 1.756
928 2HG ARG 121 HG3 ARG 121 16.202 2.679 2.679
929 1HD ARG 121 HD2 ARG 121 17.157 2.057 2.057
930 2HD ARG 121 HD3 ARG 121 17.879 0.599 0.599
931 HE ARG 121 HE ARG 121 19.759 1.842 1.842
932 1HH1 ARG 121 HH22 ARG 121 17.049 4.038 4.038
933 2HH1 ARG 121 HH21 ARG 121 18.008 5.467 5.467
934 1HH2 ARG 121 HH12 ARG 121 21.025 3.727 3.727
935 2HH2 ARG 121 HH11 ARG 121 20.285 5.289 5.289
936 H TYR 122 HN TYR 122 14.517 -1.281 -1.281
937 HA TYR 122 HA TYR 122 11.955 -2.041 -2.041
938 1HB TYR 122 HB2 TYR 122 10.837 -1.531 -1.531
939 2HB TYR 122 HB3 TYR 122 11.838 -0.129 -0.129
940 HD1 TYR 122 HD1 TYR 122 14.082 0.075 0.075
941 HD2 TYR 122 HD2 TYR 122 11.134 -2.824 -2.824
942 HE1 TYR 122 HE1 TYR 122 15.197 -0.211 -0.211
943 HE2 TYR 122 HE2 TYR 122 12.259 -3.100 -3.100
944 HH TYR 122 HH TYR 122 13.918 -2.545 -2.545
945 H GLN 123 HN GLN 123 12.661 -4.133 -4.133
946 HA GLN 123 HA GLN 123 13.277 -6.192 -6.192
947 1HB GLN 123 HB2 GLN 123 11.247 -6.357 -6.357
948 2HB GLN 123 HB3 GLN 123 12.024 -5.661 -5.661
949 1HG GLN 123 HG2 GLN 123 13.659 -7.867 -7.867
950 2HG GLN 123 HG3 GLN 123 12.023 -8.445 -8.445
951 1HE2 GLN 123 HE22 GLN 123 12.660 -9.272 -9.272
952 2HE2 GLN 123 HE21 GLN 123 13.041 -9.780 -9.780
953 H MET 124 HN MET 124 15.542 -5.085 -5.085
954 HA MET 124 HA MET 124 17.001 -4.792 -4.792
955 1HB MET 124 HB2 MET 124 17.399 -4.646 -4.646
956 2HB MET 124 HB3 MET 124 18.773 -5.442 -5.442
957 1HG MET 124 HG2 MET 124 17.940 -3.091 -3.091
958 2HG MET 124 HG3 MET 124 18.290 -2.656 -2.656
959 1HE MET 124 HE2 MET 124 19.896 -1.169 -1.169
960 2HE MET 124 HE3 MET 124 21.597 -1.593 -1.593
961 3HE MET 124 HE1 MET 124 20.401 -1.698 -1.698
962 H GLY 125 HN GLY 125 15.952 -7.052 -7.052
963 1HA GLY 125 HA1 GLY 125 16.305 -9.184 -9.184
964 2HA GLY 125 HA2 GLY 125 18.014 -8.823 -8.823
965 H CYS 126 HN CYS 126 15.955 -8.462 -8.462
966 HA CYS 126 HA CYS 126 17.514 -10.120 -10.120
967 1HB CYS 126 HB2 CYS 126 16.118 -9.605 -9.605
968 2HB CYS 126 HB3 CYS 126 15.708 -8.316 -8.316
969 H GLU 127 HN GLU 127 15.862 -11.943 -11.943
970 HA GLU 127 HA GLU 127 14.269 -13.502 -13.502
971 1HB GLU 127 HB2 GLU 127 16.430 -13.905 -13.905
972 2HB GLU 127 HB3 GLU 127 17.103 -14.608 -14.608
973 1HG GLU 127 HG2 GLU 127 15.221 -16.299 -16.299
974 2HG GLU 127 HG3 GLU 127 14.648 -15.628 -15.628
Start of MODEL 44
1 H CYS 1 HN CYS 1 -6.597 -9.057 -9.057
2 HA CYS 1 HA CYS 1 -8.297 -8.601 -8.601
3 1HB CYS 1 HB2 CYS 1 -9.632 -10.528 -10.528
4 2HB CYS 1 HB3 CYS 1 -9.923 -10.935 -10.935
5 H SER 2 HN SER 2 -9.452 -10.568 -10.568
6 HA SER 2 HA SER 2 -7.676 -10.872 -10.872
7 1HB SER 2 HB2 SER 2 -8.952 -13.419 -13.419
8 2HB SER 2 HB3 SER 2 -9.419 -11.989 -11.989
9 HG SER 2 HG SER 2 -10.996 -11.542 -11.542
10 H CYS 3 HN CYS 3 -5.493 -11.230 -11.230
11 HA CYS 3 HA CYS 3 -4.892 -13.974 -13.974
12 1HB CYS 3 HB2 CYS 3 -4.786 -12.971 -12.971
13 2HB CYS 3 HB3 CYS 3 -3.974 -11.543 -11.543
14 H SER 4 HN SER 4 -2.773 -14.635 -14.635
15 HA SER 4 HA SER 4 -2.068 -13.253 -13.253
16 1HB SER 4 HB2 SER 4 -0.490 -15.039 -15.039
17 2HB SER 4 HB3 SER 4 -1.922 -15.754 -15.754
18 HG SER 4 HG SER 4 0.356 -16.288 -16.288
19 HA PRO 5 HA PRO 5 0.754 -10.610 -10.610
20 1HB PRO 5 HB2 PRO 5 1.144 -8.830 -8.830
21 2HB PRO 5 HB3 PRO 5 -0.170 -8.696 -8.696
22 1HG PRO 5 HG2 PRO 5 -0.258 -9.587 -9.587
23 2HG PRO 5 HG3 PRO 5 -1.574 -9.046 -9.046
24 1HD PRO 5 HD2 PRO 5 -0.962 -11.754 -11.754
25 2HD PRO 5 HD3 PRO 5 -2.206 -11.221 -11.221
26 H VAL 6 HN VAL 6 2.311 -12.284 -12.284
27 HA VAL 6 HA VAL 6 4.234 -12.246 -12.246
28 HB VAL 6 HB VAL 6 3.119 -14.401 -14.401
29 1HG1 VAL 6 HG11 VAL 6 3.939 -13.609 -13.609
30 2HG1 VAL 6 HG12 VAL 6 4.695 -15.166 -15.166
31 3HG1 VAL 6 HG13 VAL 6 2.926 -14.985 -14.985
32 1HG2 VAL 6 HG21 VAL 6 6.002 -13.874 -13.874
33 2HG2 VAL 6 HG22 VAL 6 4.969 -15.032 -15.032
34 3HG2 VAL 6 HG23 VAL 6 5.619 -15.452 -15.452
35 H HIS 7 HN HIS 7 5.909 -13.680 -13.680
36 HA HIS 7 HA HIS 7 7.740 -12.966 -12.966
37 1HB HIS 7 HB2 HIS 7 6.993 -11.296 -11.296
38 2HB HIS 7 HB3 HIS 7 6.624 -13.009 -13.009
39 HD1 HIS 7 HD1 HIS 7 4.211 -13.604 -13.604
40 HD2 HIS 7 HD2 HIS 7 4.706 -9.703 -9.703
41 HE1 HIS 7 HE1 HIS 7 1.884 -12.560 -12.560
42 HA PRO 8 HA PRO 8 8.512 -9.204 -9.204
43 1HB PRO 8 HB2 PRO 8 10.930 -9.954 -9.954
44 2HB PRO 8 HB3 PRO 8 9.409 -10.219 -10.219
45 1HG PRO 8 HG2 PRO 8 11.111 -12.175 -12.175
46 2HG PRO 8 HG3 PRO 8 9.844 -12.471 -12.471
47 1HD PRO 8 HD2 PRO 8 9.663 -12.808 -12.808
48 2HD PRO 8 HD3 PRO 8 8.365 -12.992 -12.992
49 H GLN 9 HN GLN 9 10.413 -10.943 -10.943
50 HA GLN 9 HA GLN 9 11.662 -8.393 -8.393
51 1HB GLN 9 HB2 GLN 9 13.404 -9.908 -9.908
52 2HB GLN 9 HB3 GLN 9 12.645 -11.252 -11.252
53 1HG GLN 9 HG2 GLN 9 14.587 -10.355 -10.355
54 2HG GLN 9 HG3 GLN 9 13.094 -10.225 -10.225
55 1HE2 GLN 9 HE22 GLN 9 14.257 -6.738 -6.738
56 2HE2 GLN 9 HE21 GLN 9 14.146 -8.251 -8.251
57 H GLN 10 HN GLN 10 9.705 -11.137 -11.137
58 HA GLN 10 HA GLN 10 9.958 -10.566 -10.566
59 1HB GLN 10 HB2 GLN 10 9.178 -12.695 -12.695
60 2HB GLN 10 HB3 GLN 10 8.577 -12.506 -12.506
61 1HG GLN 10 HG2 GLN 10 6.610 -12.893 -12.893
62 2HG GLN 10 HG3 GLN 10 6.617 -11.153 -11.153
63 1HE2 GLN 10 HE22 GLN 10 5.908 -12.109 -12.109
64 2HE2 GLN 10 HE21 GLN 10 5.265 -12.565 -12.565
65 H ALA 11 HN ALA 11 8.520 -8.857 -8.857
66 HA ALA 11 HA ALA 11 6.172 -8.020 -8.020
67 1HB ALA 11 HB2 ALA 11 7.233 -7.873 -7.873
68 2HB ALA 11 HB3 ALA 11 6.504 -6.342 -6.342
69 3HB ALA 11 HB1 ALA 11 5.548 -7.842 -7.842
70 H PHE 12 HN PHE 12 9.484 -6.901 -6.901
71 HA PHE 12 HA PHE 12 8.944 -4.348 -4.348
72 1HB PHE 12 HB2 PHE 12 11.399 -5.693 -5.693
73 2HB PHE 12 HB3 PHE 12 11.415 -4.045 -4.045
74 HD1 PHE 12 HD1 PHE 12 9.047 -6.022 -6.022
75 HD2 PHE 12 HD2 PHE 12 11.411 -2.521 -2.521
76 HE1 PHE 12 HE1 PHE 12 8.222 -5.208 -5.208
77 HE2 PHE 12 HE2 PHE 12 10.586 -1.707 -1.707
78 HZ PHE 12 HZ PHE 12 9.001 -3.061 -3.061
79 H CYS 13 HN CYS 13 9.348 -7.347 -7.347
80 HA CYS 13 HA CYS 13 11.172 -6.423 -6.423
81 1HB CYS 13 HB2 CYS 13 10.862 -9.033 -9.033
82 2HB CYS 13 HB3 CYS 13 11.100 -9.102 -9.102
83 H ASN 14 HN ASN 14 7.948 -7.056 -7.056
84 HA ASN 14 HA ASN 14 7.217 -7.830 -7.830
85 1HB ASN 14 HB2 ASN 14 6.280 -8.639 -8.639
86 2HB ASN 14 HB3 ASN 14 5.009 -7.598 -7.598
87 1HD2 ASN 14 HD22 ASN 14 5.990 -11.141 -11.141
88 2HD2 ASN 14 HD21 ASN 14 7.097 -10.325 -10.325
89 H ALA 15 HN ALA 15 6.769 -5.398 -5.398
90 HA ALA 15 HA ALA 15 4.746 -3.883 -3.883
91 1HB ALA 15 HB3 ALA 15 7.162 -3.099 -3.099
92 2HB ALA 15 HB1 ALA 15 5.762 -2.040 -2.040
93 3HB ALA 15 HB2 ALA 15 5.550 -3.568 -3.568
94 H ASP 16 HN ASP 16 5.127 -1.508 -1.508
95 HA ASP 16 HA ASP 16 7.413 -1.386 -1.386
96 1HB ASP 16 HB2 ASP 16 4.570 -1.731 -1.731
97 2HB ASP 16 HB3 ASP 16 5.490 -0.515 -0.515
98 H VAL 17 HN VAL 17 5.858 -0.053 -0.053
99 HA VAL 17 HA VAL 17 6.528 2.612 2.612
100 HB VAL 17 HB VAL 17 4.388 2.385 2.385
101 1HG1 VAL 17 HG13 VAL 17 3.485 0.748 0.748
102 2HG1 VAL 17 HG11 VAL 17 2.933 2.243 2.243
103 3HG1 VAL 17 HG12 VAL 17 2.363 1.841 1.841
104 1HG2 VAL 17 HG22 VAL 17 5.262 4.507 4.507
105 2HG2 VAL 17 HG23 VAL 17 3.642 4.496 4.496
106 3HG2 VAL 17 HG21 VAL 17 3.825 4.219 4.219
107 H VAL 18 HN VAL 18 7.835 2.377 2.377
108 HA VAL 18 HA VAL 18 6.377 1.894 1.894
109 HB VAL 18 HB VAL 18 9.335 2.167 2.167
110 1HG1 VAL 18 HG13 VAL 18 7.285 1.013 1.013
111 2HG1 VAL 18 HG11 VAL 18 8.553 -0.177 -0.177
112 3HG1 VAL 18 HG12 VAL 18 8.988 1.384 1.384
113 1HG2 VAL 18 HG22 VAL 18 8.832 0.881 0.881
114 2HG2 VAL 18 HG23 VAL 18 9.675 -0.095 -0.095
115 3HG2 VAL 18 HG21 VAL 18 7.924 -0.297 -0.297
116 H ILE 19 HN ILE 19 5.698 3.634 3.634
117 HA ILE 19 HA ILE 19 7.447 5.951 5.951
118 HB ILE 19 HB ILE 19 5.795 7.513 7.513
119 1HG1 ILE 19 HG12 ILE 19 3.921 5.215 5.215
120 2HG1 ILE 19 HG13 ILE 19 3.735 6.890 6.890
121 1HG2 ILE 19 HG21 ILE 19 7.066 6.399 6.399
122 2HG2 ILE 19 HG22 ILE 19 5.709 5.266 5.266
123 3HG2 ILE 19 HG23 ILE 19 5.474 7.004 7.004
124 1HD1 ILE 19 HD11 ILE 19 3.648 7.452 7.452
125 2HD1 ILE 19 HD12 ILE 19 3.443 5.703 5.703
126 3HD1 ILE 19 HD13 ILE 19 2.239 6.612 6.612
127 H ARG 20 HN ARG 20 7.653 6.601 6.601
128 HA ARG 20 HA ARG 20 6.081 5.292 5.292
129 1HB ARG 20 HB2 ARG 20 8.537 5.957 5.957
130 2HB ARG 20 HB3 ARG 20 8.021 7.627 7.627
131 1HG ARG 20 HG2 ARG 20 6.527 6.902 6.902
132 2HG ARG 20 HG3 ARG 20 7.309 5.336 5.336
133 1HD ARG 20 HD2 ARG 20 8.373 6.854 6.854
134 2HD ARG 20 HD3 ARG 20 9.506 6.339 6.339
135 HE ARG 20 HE ARG 20 8.779 8.622 8.622
136 1HH1 ARG 20 HH22 ARG 20 9.202 8.034 8.034
137 2HH1 ARG 20 HH21 ARG 20 9.629 9.674 9.674
138 1HH2 ARG 20 HH12 ARG 20 9.343 10.785 10.785
139 2HH2 ARG 20 HH11 ARG 20 9.710 11.250 11.250
140 H THR 21 HN THR 21 4.398 6.820 6.820
141 HA THR 21 HA THR 21 3.834 9.397 9.397
142 HB THR 21 HB THR 21 3.079 8.581 8.581
143 HG1 THR 21 HG1 THR 21 1.701 10.063 10.063
144 1HG2 THR 21 HG21 THR 21 2.670 6.142 6.142
145 2HG2 THR 21 HG22 THR 21 1.076 6.778 6.778
146 3HG2 THR 21 HG23 THR 21 1.558 6.775 6.775
147 H LYS 22 HN LYS 22 1.634 10.006 10.006
148 HA LYS 22 HA LYS 22 1.117 8.161 8.161
149 1HB LYS 22 HB2 LYS 22 0.925 10.034 10.034
150 2HB LYS 22 HB3 LYS 22 2.492 10.086 10.086
151 1HG LYS 22 HG2 LYS 22 1.737 11.819 11.819
152 2HG LYS 22 HG3 LYS 22 0.080 11.662 11.662
153 1HD LYS 22 HD2 LYS 22 2.453 12.825 12.825
154 2HD LYS 22 HD3 LYS 22 0.923 13.594 13.594
155 1HE LYS 22 HE2 LYS 22 -0.171 11.761 11.761
156 2HE LYS 22 HE3 LYS 22 1.453 11.394 11.394
157 1HZ LYS 22 HZ2 LYS 22 1.044 14.158 14.158
158 2HZ LYS 22 HZ3 LYS 22 -0.177 13.420 13.420
159 3HZ LYS 22 HZ1 LYS 22 1.372 13.140 13.140
160 H ALA 23 HN ALA 23 -0.934 7.426 7.426
161 HA ALA 23 HA ALA 23 -2.875 8.865 8.865
162 1HB ALA 23 HB3 ALA 23 -2.552 6.457 6.457
163 2HB ALA 23 HB1 ALA 23 -2.931 6.115 6.115
164 3HB ALA 23 HB2 ALA 23 -4.186 6.774 6.774
165 H VAL 24 HN VAL 24 -3.629 10.603 10.603
166 HA VAL 24 HA VAL 24 -4.478 10.030 10.030
167 HB VAL 24 HB VAL 24 -4.653 12.559 12.559
168 1HG1 VAL 24 HG13 VAL 24 -2.179 10.913 10.913
169 2HG1 VAL 24 HG11 VAL 24 -1.966 12.681 12.681
170 3HG1 VAL 24 HG12 VAL 24 -2.822 11.898 11.898
171 1HG2 VAL 24 HG21 VAL 24 -4.666 12.761 12.761
172 2HG2 VAL 24 HG22 VAL 24 -3.616 13.893 13.893
173 3HG2 VAL 24 HG23 VAL 24 -2.911 12.476 12.476
174 H SER 25 HN SER 25 -5.568 11.032 11.032
175 HA SER 25 HA SER 25 -8.286 10.970 10.970
176 1HB SER 25 HB2 SER 25 -8.185 13.124 13.124
177 2HB SER 25 HB3 SER 25 -6.935 12.736 12.736
178 HG SER 25 HG SER 25 -9.105 13.208 13.208
179 H GLU 26 HN GLU 26 -9.952 10.241 10.241
180 HA GLU 26 HA GLU 26 -8.812 8.529 8.529
181 1HB GLU 26 HB2 GLU 26 -10.366 7.479 7.479
182 2HB GLU 26 HB3 GLU 26 -10.376 6.615 6.615
183 1HG GLU 26 HG2 GLU 26 -8.446 5.632 5.632
184 2HG GLU 26 HG3 GLU 26 -7.662 7.162 7.162
185 H LYS 27 HN LYS 27 -11.029 7.179 7.179
186 HA LYS 27 HA LYS 27 -13.298 8.949 8.949
187 1HB LYS 27 HB2 LYS 27 -11.869 10.044 10.044
188 2HB LYS 27 HB3 LYS 27 -11.663 8.536 8.536
189 1HG LYS 27 HG2 LYS 27 -13.860 8.533 8.533
190 2HG LYS 27 HG3 LYS 27 -14.481 9.467 9.467
191 1HD LYS 27 HD2 LYS 27 -14.274 10.664 10.664
192 2HD LYS 27 HD3 LYS 27 -13.701 11.523 11.523
193 1HE LYS 27 HE2 LYS 27 -11.379 10.928 10.928
194 2HE LYS 27 HE3 LYS 27 -11.869 9.830 9.830
195 1HZ LYS 27 HZ1 LYS 27 -12.904 12.442 12.442
196 2HZ LYS 27 HZ2 LYS 27 -11.273 12.441 12.441
197 3HZ LYS 27 HZ3 LYS 27 -12.045 11.509 11.509
198 H GLU 28 HN GLU 28 -14.932 7.552 7.552
199 HA GLU 28 HA GLU 28 -14.596 4.818 4.818
200 1HB GLU 28 HB2 GLU 28 -15.833 5.438 5.438
201 2HB GLU 28 HB3 GLU 28 -16.950 6.425 6.425
202 1HG GLU 28 HG2 GLU 28 -17.125 3.925 3.925
203 2HG GLU 28 HG3 GLU 28 -16.947 3.503 3.503
204 H VAL 29 HN VAL 29 -14.429 4.500 4.500
205 HA VAL 29 HA VAL 29 -16.615 5.572 5.572
206 HB VAL 29 HB VAL 29 -15.103 4.846 4.846
207 1HG1 VAL 29 HG13 VAL 29 -14.999 7.130 7.130
208 2HG1 VAL 29 HG11 VAL 29 -13.335 6.744 6.744
209 3HG1 VAL 29 HG12 VAL 29 -14.596 7.015 7.015
210 1HG2 VAL 29 HG23 VAL 29 -13.784 3.251 3.251
211 2HG2 VAL 29 HG21 VAL 29 -12.840 4.277 4.277
212 3HG2 VAL 29 HG22 VAL 29 -12.947 4.694 4.694
213 H ASP 30 HN ASP 30 -18.178 4.030 4.030
214 HA ASP 30 HA ASP 30 -17.942 1.393 1.393
215 1HB ASP 30 HB2 ASP 30 -20.351 2.619 2.619
216 2HB ASP 30 HB3 ASP 30 -20.331 1.248 1.248
217 H SER 31 HN SER 31 -18.043 -0.442 -0.442
218 HA SER 31 HA SER 31 -18.091 0.249 0.249
219 1HB SER 31 HB2 SER 31 -15.834 -0.244 -0.244
220 2HB SER 31 HB3 SER 31 -16.068 -1.310 -1.310
221 HG SER 31 HG SER 31 -16.249 -1.868 -1.868
222 H GLY 32 HN GLY 32 -20.268 -0.646 -0.646
223 1HA GLY 32 HA1 GLY 32 -21.962 -2.121 -2.121
224 2HA GLY 32 HA2 GLY 32 -21.425 -2.631 -2.631
225 H ASN 33 HN ASN 33 -22.301 -4.769 -4.769
226 HA ASN 33 HA ASN 33 -20.589 -5.964 -5.964
227 1HB ASN 33 HB2 ASN 33 -22.610 -7.470 -7.470
228 2HB ASN 33 HB3 ASN 33 -22.130 -7.800 -7.800
229 1HD2 ASN 33 HD22 ASN 33 -25.315 -5.496 -5.496
230 2HD2 ASN 33 HD21 ASN 33 -24.447 -6.476 -6.476
231 H ASP 34 HN ASP 34 -19.634 -8.253 -8.253
232 HA ASP 34 HA ASP 34 -18.298 -7.998 -7.998
233 1HB ASP 34 HB2 ASP 34 -17.274 -8.574 -8.574
234 2HB ASP 34 HB3 ASP 34 -17.767 -10.207 -10.207
235 H ILE 35 HN ILE 35 -17.653 -10.856 -10.856
236 HA ILE 35 HA ILE 35 -20.124 -11.732 -11.732
237 HB ILE 35 HB ILE 35 -17.376 -12.983 -12.983
238 1HG1 ILE 35 HG12 ILE 35 -17.368 -12.198 -12.198
239 2HG1 ILE 35 HG13 ILE 35 -18.734 -11.182 -11.182
240 1HG2 ILE 35 HG22 ILE 35 -19.946 -13.805 -13.805
241 2HG2 ILE 35 HG23 ILE 35 -18.391 -14.159 -14.159
242 3HG2 ILE 35 HG21 ILE 35 -18.723 -14.791 -14.791
243 1HD1 ILE 35 HD13 ILE 35 -16.287 -11.088 -11.088
244 2HD1 ILE 35 HD11 ILE 35 -16.253 -10.249 -10.249
245 3HD1 ILE 35 HD12 ILE 35 -17.475 -9.810 -9.810
246 H TYR 36 HN TYR 36 -19.030 -11.694 -11.694
247 HA TYR 36 HA TYR 36 -20.081 -14.372 -14.372
248 1HB TYR 36 HB2 TYR 36 -17.730 -13.155 -13.155
249 2HB TYR 36 HB3 TYR 36 -18.748 -12.477 -12.477
250 HD1 TYR 36 HD2 TYR 36 -19.761 -13.932 -13.932
251 HD2 TYR 36 HD1 TYR 36 -17.113 -15.502 -15.502
252 HE1 TYR 36 HE2 TYR 36 -19.455 -16.046 -16.046
253 HE2 TYR 36 HE1 TYR 36 -16.818 -17.612 -17.612
254 HH TYR 36 HH TYR 36 -17.279 -18.626 -18.626
255 H GLY 37 HN GLY 37 -21.125 -11.212 -11.212
256 1HA GLY 37 HA1 GLY 37 -23.205 -10.439 -10.439
257 2HA GLY 37 HA2 GLY 37 -23.365 -11.714 -11.714
258 H ASN 38 HN ASN 38 -20.308 -10.688 -10.688
259 HA ASN 38 HA ASN 38 -21.181 -9.173 -9.173
260 1HB ASN 38 HB2 ASN 38 -18.607 -8.978 -8.978
261 2HB ASN 38 HB3 ASN 38 -19.295 -10.589 -10.589
262 1HD2 ASN 38 HD22 ASN 38 -16.261 -10.748 -10.748
263 2HD2 ASN 38 HD21 ASN 38 -16.681 -10.375 -10.375
264 HA PRO 39 HA PRO 39 -20.423 -5.233 -5.233
265 1HB PRO 39 HB2 PRO 39 -19.825 -3.713 -3.713
266 2HB PRO 39 HB3 PRO 39 -21.463 -4.143 -4.143
267 1HG PRO 39 HG2 PRO 39 -19.791 -5.235 -5.235
268 2HG PRO 39 HG3 PRO 39 -21.529 -5.330 -5.330
269 1HD PRO 39 HD2 PRO 39 -19.626 -7.419 -7.419
270 2HD PRO 39 HD3 PRO 39 -21.350 -7.476 -7.476
271 H ILE 40 HN ILE 40 -18.896 -4.368 -4.368
272 HA ILE 40 HA ILE 40 -16.228 -5.209 -5.209
273 HB ILE 40 HB ILE 40 -17.427 -3.348 -3.348
274 1HG1 ILE 40 HG12 ILE 40 -16.640 -6.271 -6.271
275 2HG1 ILE 40 HG13 ILE 40 -18.248 -5.597 -5.597
276 1HG2 ILE 40 HG22 ILE 40 -14.613 -4.456 -4.456
277 2HG2 ILE 40 HG23 ILE 40 -15.295 -3.610 -3.610
278 3HG2 ILE 40 HG21 ILE 40 -15.103 -2.751 -2.751
279 1HD1 ILE 40 HD11 ILE 40 -17.102 -4.231 -4.231
280 2HD1 ILE 40 HD12 ILE 40 -15.965 -5.599 -5.599
281 3HD1 ILE 40 HD13 ILE 40 -17.699 -5.891 -5.891
282 H LYS 41 HN LYS 41 -16.855 -1.842 -1.842
283 HA LYS 41 HA LYS 41 -16.348 0.093 0.093
284 1HB LYS 41 HB2 LYS 41 -17.685 -0.849 -0.849
285 2HB LYS 41 HB3 LYS 41 -16.165 -1.315 -1.315
286 1HG LYS 41 HG2 LYS 41 -15.391 1.067 1.067
287 2HG LYS 41 HG3 LYS 41 -16.918 1.528 1.528
288 1HD LYS 41 HD2 LYS 41 -17.103 -0.021 -0.021
289 2HD LYS 41 HD3 LYS 41 -16.446 1.598 1.598
290 1HE LYS 41 HE2 LYS 41 -18.499 2.372 2.372
291 2HE LYS 41 HE3 LYS 41 -19.171 0.784 0.784
292 1HZ LYS 41 HZ3 LYS 41 -18.763 1.270 1.270
293 2HZ LYS 41 HZ1 LYS 41 -18.441 2.816 2.816
294 3HZ LYS 41 HZ2 LYS 41 -19.919 2.184 2.184
295 H ARG 42 HN ARG 42 -14.441 1.046 1.046
296 HA ARG 42 HA ARG 42 -12.078 -0.331 -0.331
297 1HB ARG 42 HB2 ARG 42 -11.195 1.094 1.094
298 2HB ARG 42 HB3 ARG 42 -11.513 -0.628 -0.628
299 1HG ARG 42 HG2 ARG 42 -13.965 -0.076 -0.076
300 2HG ARG 42 HG3 ARG 42 -13.446 1.574 1.574
301 1HD ARG 42 HD2 ARG 42 -11.631 0.436 0.436
302 2HD ARG 42 HD3 ARG 42 -12.731 -0.929 -0.929
303 HE ARG 42 HE ARG 42 -14.064 1.619 1.619
304 1HH1 ARG 42 HH22 ARG 42 -12.351 -1.120 -1.120
305 2HH1 ARG 42 HH21 ARG 42 -13.036 -0.909 -0.909
306 1HH2 ARG 42 HH12 ARG 42 -14.967 1.900 1.900
307 2HH2 ARG 42 HH11 ARG 42 -14.534 0.821 0.821
308 H ILE 43 HN ILE 43 -12.613 1.282 1.282
309 HA ILE 43 HA ILE 43 -12.697 3.946 3.946
310 HB ILE 43 HB ILE 43 -11.770 1.963 1.963
311 1HG1 ILE 43 HG12 ILE 43 -12.935 3.598 3.598
312 2HG1 ILE 43 HG13 ILE 43 -13.291 4.575 4.575
313 1HG2 ILE 43 HG21 ILE 43 -10.482 4.699 4.699
314 2HG2 ILE 43 HG22 ILE 43 -10.601 3.633 3.633
315 3HG2 ILE 43 HG23 ILE 43 -9.684 3.108 3.108
316 1HD1 ILE 43 HD13 ILE 43 -13.943 1.723 1.723
317 2HD1 ILE 43 HD11 ILE 43 -14.846 2.466 2.466
318 3HD1 ILE 43 HD12 ILE 43 -14.941 3.169 3.169
319 H GLN 44 HN GLN 44 -11.253 5.724 5.724
320 HA GLN 44 HA GLN 44 -8.975 5.100 5.100
321 1HB GLN 44 HB2 GLN 44 -10.304 7.718 7.718
322 2HB GLN 44 HB3 GLN 44 -8.847 7.657 7.657
323 1HG GLN 44 HG2 GLN 44 -11.621 6.654 6.654
324 2HG GLN 44 HG3 GLN 44 -10.608 7.770 7.770
325 1HE2 GLN 44 HE21 GLN 44 -11.077 4.430 4.430
326 2HE2 GLN 44 HE22 GLN 44 -10.145 3.682 3.682
327 H TYR 45 HN TYR 45 -7.033 6.883 6.883
328 HA TYR 45 HA TYR 45 -6.515 6.800 6.800
329 1HB TYR 45 HB2 TYR 45 -5.165 5.452 5.452
330 2HB TYR 45 HB3 TYR 45 -4.058 6.290 6.290
331 HD1 TYR 45 HD2 TYR 45 -5.773 5.763 5.763
332 HD2 TYR 45 HD1 TYR 45 -4.332 3.242 3.242
333 HE1 TYR 45 HE2 TYR 45 -5.796 3.770 3.770
334 HE2 TYR 45 HE1 TYR 45 -4.359 1.258 1.258
335 HH TYR 45 HH TYR 45 -4.774 0.559 0.559
336 H GLU 46 HN GLU 46 -7.255 9.137 9.137
337 HA GLU 46 HA GLU 46 -5.617 10.726 10.726
338 1HB GLU 46 HB2 GLU 46 -8.015 11.102 11.102
339 2HB GLU 46 HB3 GLU 46 -7.062 11.880 11.880
340 1HG GLU 46 HG2 GLU 46 -6.164 13.500 13.500
341 2HG GLU 46 HG3 GLU 46 -6.671 12.578 12.578
342 H ILE 47 HN ILE 47 -3.492 9.737 9.737
343 HA ILE 47 HA ILE 47 -2.600 10.330 10.330
344 HB ILE 47 HB ILE 47 -0.397 9.712 9.712
345 1HG1 ILE 47 HG12 ILE 47 -1.813 9.960 9.960
346 2HG1 ILE 47 HG13 ILE 47 -0.239 10.563 10.563
347 1HG2 ILE 47 HG23 ILE 47 -2.737 8.109 8.109
348 2HG2 ILE 47 HG21 ILE 47 -1.766 7.522 7.522
349 3HG2 ILE 47 HG22 ILE 47 -1.041 7.632 7.632
350 1HD1 ILE 47 HD12 ILE 47 -0.026 7.775 7.775
351 2HD1 ILE 47 HD13 ILE 47 -0.953 7.970 7.970
352 3HD1 ILE 47 HD11 ILE 47 0.649 8.729 8.729
353 H LYS 48 HN LYS 48 -0.088 11.548 11.548
354 HA LYS 48 HA LYS 48 -0.759 14.170 14.170
355 1HB LYS 48 HB2 LYS 48 -1.055 13.831 13.831
356 2HB LYS 48 HB3 LYS 48 0.684 14.038 14.038
357 1HG LYS 48 HG2 LYS 48 0.544 16.221 16.221
358 2HG LYS 48 HG3 LYS 48 -1.122 15.981 15.981
359 1HD LYS 48 HD2 LYS 48 -0.570 17.425 17.425
360 2HD LYS 48 HD3 LYS 48 -1.966 16.365 16.365
361 1HE LYS 48 HE2 LYS 48 -0.746 14.623 14.623
362 2HE LYS 48 HE3 LYS 48 0.769 15.488 15.488
363 1HZ LYS 48 HZ3 LYS 48 -0.928 17.264 17.264
364 2HZ LYS 48 HZ1 LYS 48 -1.265 15.851 15.851
365 3HZ LYS 48 HZ2 LYS 48 0.262 16.429 16.429
366 H GLN 49 HN GLN 49 0.987 11.588 11.588
367 HA GLN 49 HA GLN 49 3.052 11.091 11.091
368 1HB GLN 49 HB2 GLN 49 2.672 11.992 11.992
369 2HB GLN 49 HB3 GLN 49 2.285 13.581 13.581
370 1HG GLN 49 HG2 GLN 49 4.422 13.629 13.629
371 2HG GLN 49 HG3 GLN 49 4.682 14.034 14.034
372 1HE2 GLN 49 HE22 GLN 49 5.640 10.169 10.169
373 2HE2 GLN 49 HE21 GLN 49 4.184 10.949 10.949
374 H ILE 50 HN ILE 50 4.671 10.924 10.924
375 HA ILE 50 HA ILE 50 5.831 13.450 13.450
376 HB ILE 50 HB ILE 50 5.723 12.774 12.774
377 1HG1 ILE 50 HG12 ILE 50 6.708 10.145 10.145
378 2HG1 ILE 50 HG13 ILE 50 7.478 11.257 11.257
379 1HG2 ILE 50 HG22 ILE 50 3.456 12.141 12.141
380 2HG2 ILE 50 HG23 ILE 50 3.972 10.464 10.464
381 3HG2 ILE 50 HG21 ILE 50 3.805 11.606 11.606
382 1HD1 ILE 50 HD13 ILE 50 4.991 9.596 9.596
383 2HD1 ILE 50 HD11 ILE 50 6.645 9.224 9.224
384 3HD1 ILE 50 HD12 ILE 50 5.823 10.689 10.689
385 H LYS 51 HN LYS 51 6.264 10.293 10.293
386 HA LYS 51 HA LYS 51 8.966 11.026 11.026
387 1HB LYS 51 HB2 LYS 51 8.664 9.570 9.570
388 2HB LYS 51 HB3 LYS 51 8.903 8.307 8.307
389 1HG LYS 51 HG2 LYS 51 11.033 9.132 9.132
390 2HG LYS 51 HG3 LYS 51 10.714 10.737 10.737
391 1HD LYS 51 HD2 LYS 51 10.475 9.256 9.256
392 2HD LYS 51 HD3 LYS 51 11.651 8.289 8.289
393 1HE LYS 51 HE2 LYS 51 12.927 10.519 10.519
394 2HE LYS 51 HE3 LYS 51 11.874 11.224 11.224
395 1HZ LYS 51 HZ3 LYS 51 13.237 8.741 8.741
396 2HZ LYS 51 HZ1 LYS 51 14.100 10.128 10.128
397 3HZ LYS 51 HZ2 LYS 51 12.794 9.965 9.965
398 H MET 52 HN MET 52 9.906 9.338 9.338
399 HA MET 52 HA MET 52 7.845 7.767 7.767
400 1HB MET 52 HB2 MET 52 8.522 10.358 10.358
401 2HB MET 52 HB3 MET 52 9.428 9.284 9.284
402 1HG MET 52 HG2 MET 52 7.483 8.245 8.245
403 2HG MET 52 HG3 MET 52 6.519 8.653 8.653
404 1HE MET 52 HE2 MET 52 8.954 10.229 10.229
405 2HE MET 52 HE3 MET 52 8.022 11.301 11.301
406 3HE MET 52 HE1 MET 52 8.615 11.906 11.906
407 H PHE 53 HN PHE 53 9.544 6.331 6.331
408 HA PHE 53 HA PHE 53 12.114 6.007 6.007
409 1HB PHE 53 HB2 PHE 53 9.783 4.047 4.047
410 2HB PHE 53 HB3 PHE 53 11.413 3.431 3.431
411 HD1 PHE 53 HD2 PHE 53 13.068 5.125 5.125
412 HD2 PHE 53 HD1 PHE 53 9.113 3.790 3.790
413 HE1 PHE 53 HE2 PHE 53 13.454 5.390 5.390
414 HE2 PHE 53 HE1 PHE 53 9.499 4.056 4.056
415 HZ PHE 53 HZ PHE 53 11.666 4.852 4.852
416 H LYS 54 HN LYS 54 9.825 3.760 3.760
417 HA LYS 54 HA LYS 54 11.310 4.295 4.295
418 1HB LYS 54 HB2 LYS 54 12.127 2.207 2.207
419 2HB LYS 54 HB3 LYS 54 10.531 1.651 1.651
420 1HG LYS 54 HG2 LYS 54 11.464 0.716 0.716
421 2HG LYS 54 HG3 LYS 54 9.836 1.359 1.359
422 1HD LYS 54 HD2 LYS 54 11.924 3.403 3.403
423 2HD LYS 54 HD3 LYS 54 11.919 2.100 2.100
424 1HE LYS 54 HE2 LYS 54 9.186 2.689 2.689
425 2HE LYS 54 HE3 LYS 54 9.954 4.264 4.264
426 1HZ LYS 54 HZ1 LYS 54 11.109 3.661 3.661
427 2HZ LYS 54 HZ2 LYS 54 10.264 2.266 2.266
428 3HZ LYS 54 HZ3 LYS 54 9.486 3.698 3.698
429 H GLY 55 HN GLY 55 9.517 5.921 5.921
430 1HA GLY 55 HA1 GLY 55 7.117 4.570 4.570
431 2HA GLY 55 HA2 GLY 55 7.014 6.015 6.015
432 HA PRO 56 HA PRO 56 7.323 7.503 7.503
433 1HB PRO 56 HB2 PRO 56 5.280 9.314 9.314
434 2HB PRO 56 HB3 PRO 56 5.069 7.668 7.668
435 1HG PRO 56 HG2 PRO 56 4.270 8.858 8.858
436 2HG PRO 56 HG3 PRO 56 3.708 7.376 7.376
437 1HD PRO 56 HD2 PRO 56 5.574 7.607 7.607
438 2HD PRO 56 HD3 PRO 56 5.100 6.134 6.134
439 H GLU 57 HN GLU 57 7.133 10.056 10.056
440 HA GLU 57 HA GLU 57 9.199 11.167 11.167
441 1HB GLU 57 HB2 GLU 57 8.252 12.548 12.548
442 2HB GLU 57 HB3 GLU 57 9.876 12.401 12.401
443 1HG GLU 57 HG2 GLU 57 9.746 9.890 9.890
444 2HG GLU 57 HG3 GLU 57 8.255 10.233 10.233
445 H LYS 58 HN LYS 58 5.833 11.721 11.721
446 HA LYS 58 HA LYS 58 5.731 14.334 14.334
447 1HB LYS 58 HB2 LYS 58 4.397 13.269 13.269
448 2HB LYS 58 HB3 LYS 58 3.285 12.792 12.792
449 1HG LYS 58 HG2 LYS 58 2.410 14.884 14.884
450 2HG LYS 58 HG3 LYS 58 3.880 15.458 15.458
451 1HD LYS 58 HD2 LYS 58 3.619 15.084 15.084
452 2HD LYS 58 HD3 LYS 58 3.247 16.596 16.596
453 1HE LYS 58 HE2 LYS 58 5.702 16.173 16.173
454 2HE LYS 58 HE3 LYS 58 5.915 15.266 15.266
455 1HZ LYS 58 HZ3 LYS 58 4.701 17.586 17.586
456 2HZ LYS 58 HZ1 LYS 58 5.806 18.053 18.053
457 3HZ LYS 58 HZ2 LYS 58 6.274 17.204 17.204
458 H ASP 59 HN ASP 59 3.499 11.560 11.560
459 HA ASP 59 HA ASP 59 4.116 10.752 10.752
460 1HB ASP 59 HB2 ASP 59 4.348 12.914 12.914
461 2HB ASP 59 HB3 ASP 59 2.895 13.523 13.523
462 H ILE 60 HN ILE 60 2.006 10.166 10.166
463 HA ILE 60 HA ILE 60 -0.140 9.688 9.688
464 HB ILE 60 HB ILE 60 0.080 8.277 8.277
465 1HG1 ILE 60 HG12 ILE 60 2.372 8.294 8.294
466 2HG1 ILE 60 HG13 ILE 60 1.673 6.706 6.706
467 1HG2 ILE 60 HG21 ILE 60 -1.868 8.005 8.005
468 2HG2 ILE 60 HG22 ILE 60 -0.746 7.277 7.277
469 3HG2 ILE 60 HG23 ILE 60 -1.010 6.499 6.499
470 1HD1 ILE 60 HD13 ILE 60 1.659 8.256 8.256
471 2HD1 ILE 60 HD11 ILE 60 2.726 6.887 6.887
472 3HD1 ILE 60 HD12 ILE 60 0.971 6.633 6.633
473 H GLU 61 HN GLU 61 -0.010 9.965 9.965
474 HA GLU 61 HA GLU 61 -1.064 11.287 11.287
475 1HB GLU 61 HB2 GLU 61 -1.067 12.895 12.895
476 2HB GLU 61 HB3 GLU 61 -2.598 13.112 13.112
477 1HG GLU 61 HG2 GLU 61 -0.881 13.231 13.231
478 2HG GLU 61 HG3 GLU 61 0.158 13.867 13.867
479 H PHE 62 HN PHE 62 -2.472 9.413 9.413
480 HA PHE 62 HA PHE 62 -4.897 9.171 9.171
481 1HB PHE 62 HB2 PHE 62 -4.580 10.350 10.350
482 2HB PHE 62 HB3 PHE 62 -5.767 9.063 9.063
483 HD1 PHE 62 HD1 PHE 62 -7.781 9.286 9.286
484 HD2 PHE 62 HD2 PHE 62 -5.005 12.468 12.468
485 HE1 PHE 62 HE1 PHE 62 -9.487 10.896 10.896
486 HE2 PHE 62 HE2 PHE 62 -6.711 14.077 14.077
487 HZ PHE 62 HZ PHE 62 -8.931 13.270 13.270
488 H ILE 63 HN ILE 63 -4.371 7.060 7.060
489 HA ILE 63 HA ILE 63 -3.861 5.201 5.201
490 HB ILE 63 HB ILE 63 -3.434 4.479 4.479
491 1HG1 ILE 63 HG12 ILE 63 -2.277 6.811 6.811
492 2HG1 ILE 63 HG13 ILE 63 -1.883 6.013 6.013
493 1HG2 ILE 63 HG21 ILE 63 -2.153 3.759 3.759
494 2HG2 ILE 63 HG22 ILE 63 -1.489 3.269 3.269
495 3HG2 ILE 63 HG23 ILE 63 -3.109 2.722 2.722
496 1HD1 ILE 63 HD12 ILE 63 -0.721 5.097 5.097
497 2HD1 ILE 63 HD13 ILE 63 0.062 6.331 6.331
498 3HD1 ILE 63 HD11 ILE 63 -0.164 4.678 4.678
499 H TYR 64 HN TYR 64 -4.810 2.920 2.920
500 HA TYR 64 HA TYR 64 -7.533 3.285 3.285
501 1HB TYR 64 HB2 TYR 64 -6.283 1.751 1.751
502 2HB TYR 64 HB3 TYR 64 -7.887 1.344 1.344
503 HD1 TYR 64 HD1 TYR 64 -6.084 4.559 4.559
504 HD2 TYR 64 HD2 TYR 64 -9.562 2.146 2.146
505 HE1 TYR 64 HE1 TYR 64 -7.082 6.367 6.367
506 HE2 TYR 64 HE2 TYR 64 -10.548 3.963 3.963
507 HH TYR 64 HH TYR 64 -10.132 6.658 6.658
508 H THR 65 HN THR 65 -8.505 1.471 1.471
509 HA THR 65 HA THR 65 -7.056 -0.937 -0.937
510 HB THR 65 HB THR 65 -5.666 0.542 0.542
511 HG1 THR 65 HG1 THR 65 -6.135 -0.720 -0.720
512 1HG2 THR 65 HG22 THR 65 -8.384 1.415 1.415
513 2HG2 THR 65 HG23 THR 65 -7.087 1.259 1.259
514 3HG2 THR 65 HG21 THR 65 -6.889 2.368 2.368
515 H ALA 66 HN ALA 66 -8.166 -1.920 -1.920
516 HA ALA 66 HA ALA 66 -11.005 -1.810 -1.810
517 1HB ALA 66 HB3 ALA 66 -9.098 -3.896 -3.896
518 2HB ALA 66 HB1 ALA 66 -10.574 -3.936 -3.936
519 3HB ALA 66 HB2 ALA 66 -10.692 -4.043 -4.043
520 HA PRO 67 HA PRO 67 -11.865 0.103 0.103
521 1HB PRO 67 HB2 PRO 67 -14.518 -0.490 -0.490
522 2HB PRO 67 HB3 PRO 67 -13.929 0.803 0.803
523 1HG PRO 67 HG2 PRO 67 -14.968 -1.852 -1.852
524 2HG PRO 67 HG3 PRO 67 -14.780 -0.416 -0.416
525 1HD PRO 67 HD2 PRO 67 -13.086 -2.730 -2.730
526 2HD PRO 67 HD3 PRO 67 -12.835 -1.246 -1.246
527 H SER 68 HN SER 68 -13.712 -0.608 -0.608
528 HA SER 68 HA SER 68 -13.758 -1.752 -1.752
529 1HB SER 68 HB2 SER 68 -13.477 -3.861 -3.861
530 2HB SER 68 HB3 SER 68 -13.135 -4.386 -4.386
531 HG SER 68 HG SER 68 -15.378 -4.658 -4.658
532 H SER 69 HN SER 69 -12.283 -3.841 -3.841
533 HA SER 69 HA SER 69 -9.892 -2.502 -2.502
534 1HB SER 69 HB2 SER 69 -11.372 -4.214 -4.214
535 2HB SER 69 HB3 SER 69 -10.319 -5.414 -5.414
536 HG SER 69 HG SER 69 -9.665 -3.281 -3.281
537 H ALA 70 HN ALA 70 -9.598 -2.626 -2.626
538 HA ALA 70 HA ALA 70 -8.362 -3.339 -3.339
539 1HB ALA 70 HB3 ALA 70 -6.773 -3.499 -3.499
540 2HB ALA 70 HB1 ALA 70 -6.366 -4.912 -4.912
541 3HB ALA 70 HB2 ALA 70 -6.225 -3.271 -3.271
542 H VAL 71 HN VAL 71 -9.765 -4.710 -4.710
543 HA VAL 71 HA VAL 71 -9.750 -7.512 -7.512
544 HB VAL 71 HB VAL 71 -11.872 -7.662 -7.662
545 1HG1 VAL 71 HG13 VAL 71 -11.527 -5.421 -5.421
546 2HG1 VAL 71 HG11 VAL 71 -12.064 -4.674 -4.674
547 3HG1 VAL 71 HG12 VAL 71 -13.113 -5.845 -5.845
548 1HG2 VAL 71 HG23 VAL 71 -10.988 -5.944 -5.944
549 2HG2 VAL 71 HG21 VAL 71 -11.690 -7.580 -7.580
550 3HG2 VAL 71 HG22 VAL 71 -12.724 -6.169 -6.169
551 H CYS 72 HN CYS 72 -8.918 -5.232 -5.232
552 HA CYS 72 HA CYS 72 -7.606 -7.469 -7.469
553 1HB CYS 72 HB2 CYS 72 -8.994 -5.253 -5.253
554 2HB CYS 72 HB3 CYS 72 -8.253 -6.700 -6.700
555 H GLY 73 HN GLY 73 -7.114 -4.941 -4.941
556 1HA GLY 73 HA1 GLY 73 -4.644 -4.165 -4.165
557 2HA GLY 73 HA2 GLY 73 -5.800 -2.885 -2.885
558 H VAL 74 HN VAL 74 -4.259 -1.880 -1.880
559 HA VAL 74 HA VAL 74 -4.005 -3.348 -3.348
560 HB VAL 74 HB VAL 74 -2.252 -1.241 -1.241
561 1HG1 VAL 74 HG11 VAL 74 -2.057 -2.523 -2.523
562 2HG1 VAL 74 HG12 VAL 74 -0.780 -1.544 -1.544
563 3HG1 VAL 74 HG13 VAL 74 -2.350 -0.805 -0.805
564 1HG2 VAL 74 HG23 VAL 74 -2.210 -3.795 -3.795
565 2HG2 VAL 74 HG21 VAL 74 -0.695 -2.892 -2.892
566 3HG2 VAL 74 HG22 VAL 74 -1.313 -3.954 -3.954
567 H SER 75 HN SER 75 -5.794 -1.015 -1.015
568 HA SER 75 HA SER 75 -6.790 0.868 0.868
569 1HB SER 75 HB2 SER 75 -8.610 -0.013 -0.013
570 2HB SER 75 HB3 SER 75 -7.659 -1.373 -1.373
571 HG SER 75 HG SER 75 -8.786 0.487 0.487
572 H LEU 76 HN LEU 76 -4.951 2.303 2.303
573 HA LEU 76 HA LEU 76 -4.150 2.653 2.653
574 1HB LEU 76 HB2 LEU 76 -2.647 4.025 4.025
575 2HB LEU 76 HB3 LEU 76 -2.085 3.215 3.215
576 HG LEU 76 HG LEU 76 -2.952 1.083 1.083
577 1HD1 LEU 76 HD13 LEU 76 -3.055 3.111 3.111
578 2HD1 LEU 76 HD11 LEU 76 -1.443 2.413 2.413
579 3HD1 LEU 76 HD12 LEU 76 -2.887 1.378 1.378
580 1HD2 LEU 76 HD22 LEU 76 -0.501 2.155 2.155
581 2HD2 LEU 76 HD23 LEU 76 -0.885 0.474 0.474
582 3HD2 LEU 76 HD21 LEU 76 -0.231 1.585 1.585
583 H ASP 77 HN ASP 77 -4.756 4.460 4.460
584 HA ASP 77 HA ASP 77 -6.041 6.509 6.509
585 1HB ASP 77 HB2 ASP 77 -7.020 7.045 7.045
586 2HB ASP 77 HB3 ASP 77 -7.781 5.884 5.884
587 H VAL 78 HN VAL 78 -3.325 5.677 5.677
588 HA VAL 78 HA VAL 78 -1.586 6.860 6.860
589 HB VAL 78 HB VAL 78 -3.140 8.925 8.925
590 1HG1 VAL 78 HG12 VAL 78 -1.171 9.578 9.578
591 2HG1 VAL 78 HG13 VAL 78 -1.306 10.620 10.620
592 3HG1 VAL 78 HG11 VAL 78 -2.724 10.354 10.354
593 1HG2 VAL 78 HG23 VAL 78 -0.633 7.446 7.446
594 2HG2 VAL 78 HG21 VAL 78 -1.612 8.253 8.253
595 3HG2 VAL 78 HG22 VAL 78 -0.425 9.187 9.187
596 H GLY 79 HN GLY 79 -4.858 7.387 7.387
597 1HA GLY 79 HA1 GLY 79 -4.316 9.005 9.005
598 2HA GLY 79 HA2 GLY 79 -5.775 8.099 8.099
599 H GLY 80 HN GLY 80 -3.570 5.739 5.739
600 1HA GLY 80 HA1 GLY 80 -3.310 5.106 5.106
601 2HA GLY 80 HA2 GLY 80 -3.961 3.948 3.948
602 H LYS 81 HN LYS 81 -2.159 4.853 4.853
603 HA LYS 81 HA LYS 81 0.207 3.420 3.420
604 1HB LYS 81 HB2 LYS 81 0.419 3.731 3.731
605 2HB LYS 81 HB3 LYS 81 -0.141 2.305 2.305
606 1HG LYS 81 HG2 LYS 81 -1.991 4.604 4.604
607 2HG LYS 81 HG3 LYS 81 -1.720 3.211 3.211
608 1HD LYS 81 HD2 LYS 81 -3.029 1.844 1.844
609 2HD LYS 81 HD3 LYS 81 -2.371 2.465 2.465
610 1HE LYS 81 HE2 LYS 81 -4.112 3.909 3.909
611 2HE LYS 81 HE3 LYS 81 -3.993 4.502 4.502
612 1HZ LYS 81 HZ2 LYS 81 -5.042 1.839 1.839
613 2HZ LYS 81 HZ3 LYS 81 -5.994 3.038 3.038
614 3HZ LYS 81 HZ1 LYS 81 -5.520 3.044 3.044
615 H LYS 82 HN LYS 82 0.340 5.534 5.534
616 HA LYS 82 HA LYS 82 1.027 7.936 7.936
617 1HB LYS 82 HB2 LYS 82 3.591 7.754 7.754
618 2HB LYS 82 HB3 LYS 82 2.640 7.265 7.265
619 1HG LYS 82 HG2 LYS 82 2.860 4.950 4.950
620 2HG LYS 82 HG3 LYS 82 4.458 5.668 5.668
621 1HD LYS 82 HD2 LYS 82 4.776 4.911 4.911
622 2HD LYS 82 HD3 LYS 82 3.347 5.761 5.761
623 1HE LYS 82 HE2 LYS 82 2.055 3.866 3.866
624 2HE LYS 82 HE3 LYS 82 2.708 3.319 3.319
625 1HZ LYS 82 HZ3 LYS 82 4.773 3.092 3.092
626 2HZ LYS 82 HZ1 LYS 82 3.486 2.603 2.603
627 3HZ LYS 82 HZ2 LYS 82 3.833 1.870 1.870
628 H GLU 83 HN GLU 83 3.047 5.558 5.558
629 HA GLU 83 HA GLU 83 2.073 6.660 6.660
630 1HB GLU 83 HB2 GLU 83 4.957 6.880 6.880
631 2HB GLU 83 HB3 GLU 83 3.739 8.098 8.098
632 1HG GLU 83 HG2 GLU 83 5.178 8.921 8.921
633 2HG GLU 83 HG3 GLU 83 3.602 8.576 8.576
634 H TYR 84 HN TYR 84 3.140 5.510 5.510
635 HA TYR 84 HA TYR 84 4.462 3.025 3.025
636 1HB TYR 84 HB2 TYR 84 2.682 1.819 1.819
637 2HB TYR 84 HB3 TYR 84 2.033 2.509 2.509
638 HD1 TYR 84 HD2 TYR 84 2.643 3.599 3.599
639 HD2 TYR 84 HD1 TYR 84 0.000 3.599 3.599
640 HE1 TYR 84 HE2 TYR 84 0.909 4.874 4.874
641 HE2 TYR 84 HE1 TYR 84 -1.725 4.874 4.874
642 HH TYR 84 HH TYR 84 -1.811 4.995 4.995
643 H LEU 85 HN LEU 85 5.525 1.990 1.990
644 HA LEU 85 HA LEU 85 6.252 3.908 3.908
645 1HB LEU 85 HB2 LEU 85 7.881 2.171 2.171
646 2HB LEU 85 HB3 LEU 85 8.018 2.706 2.706
647 HG LEU 85 HG LEU 85 8.202 0.165 0.165
648 1HD1 LEU 85 HD11 LEU 85 7.282 1.591 1.591
649 2HD1 LEU 85 HD12 LEU 85 6.684 -0.085 -0.085
650 3HD1 LEU 85 HD13 LEU 85 8.431 0.240 0.240
651 1HD2 LEU 85 HD23 LEU 85 6.054 0.073 0.073
652 2HD2 LEU 85 HD21 LEU 85 6.121 -1.071 -1.071
653 3HD2 LEU 85 HD22 LEU 85 5.201 0.445 0.445
654 H ILE 86 HN ILE 86 3.591 2.037 2.037
655 HA ILE 86 HA ILE 86 2.579 0.511 0.511
656 HB ILE 86 HB ILE 86 2.067 3.343 3.343
657 1HG1 ILE 86 HG12 ILE 86 -0.187 2.666 2.666
658 2HG1 ILE 86 HG13 ILE 86 0.105 1.081 1.081
659 1HG2 ILE 86 HG23 ILE 86 1.744 1.794 1.794
660 2HG2 ILE 86 HG21 ILE 86 0.541 3.029 3.029
661 3HG2 ILE 86 HG22 ILE 86 2.252 3.482 3.482
662 1HD1 ILE 86 HD12 ILE 86 1.904 1.584 1.584
663 2HD1 ILE 86 HD13 ILE 86 0.196 1.764 1.764
664 3HD1 ILE 86 HD11 ILE 86 0.764 0.241 0.241
665 H ALA 87 HN ALA 87 3.800 -0.891 -0.891
666 HA ALA 87 HA ALA 87 4.781 0.206 0.206
667 1HB ALA 87 HB2 ALA 87 6.149 -1.388 -1.388
668 2HB ALA 87 HB3 ALA 87 6.427 -1.917 -1.917
669 3HB ALA 87 HB1 ALA 87 6.822 -0.250 -0.250
670 H GLY 88 HN GLY 88 3.310 -0.498 -0.498
671 1HA GLY 88 HA1 GLY 88 2.753 -3.388 -3.388
672 2HA GLY 88 HA2 GLY 88 1.420 -2.251 -2.251
673 H LYS 89 HN LYS 89 1.555 -3.912 -3.912
674 HA LYS 89 HA LYS 89 3.183 -3.365 -3.365
675 1HB LYS 89 HB2 LYS 89 1.310 -5.090 -5.090
676 2HB LYS 89 HB3 LYS 89 0.210 -3.835 -3.835
677 1HG LYS 89 HG2 LYS 89 1.008 -3.855 -3.855
678 2HG LYS 89 HG3 LYS 89 2.664 -4.139 -4.139
679 1HD LYS 89 HD2 LYS 89 1.597 -6.528 -6.528
680 2HD LYS 89 HD3 LYS 89 0.474 -6.122 -6.122
681 1HE LYS 89 HE2 LYS 89 3.195 -5.551 -5.551
682 2HE LYS 89 HE3 LYS 89 3.107 -7.193 -7.193
683 1HZ LYS 89 HZ3 LYS 89 1.215 -7.553 -7.553
684 2HZ LYS 89 HZ1 LYS 89 1.318 -6.027 -6.027
685 3HZ LYS 89 HZ2 LYS 89 2.524 -7.088 -7.088
686 H ALA 90 HN ALA 90 0.597 -1.352 -1.352
687 HA ALA 90 HA ALA 90 0.282 0.847 0.847
688 1HB ALA 90 HB2 ALA 90 2.783 0.721 0.721
689 2HB ALA 90 HB3 ALA 90 1.999 1.007 1.007
690 3HB ALA 90 HB1 ALA 90 1.796 2.180 2.180
691 H GLU 91 HN GLU 91 -0.537 2.396 2.396
692 HA GLU 91 HA GLU 91 -2.048 0.665 0.665
693 1HB GLU 91 HB2 GLU 91 -3.310 1.666 1.666
694 2HB GLU 91 HB3 GLU 91 -3.321 3.146 3.146
695 1HG GLU 91 HG2 GLU 91 -4.688 0.519 0.519
696 2HG GLU 91 HG3 GLU 91 -5.338 2.144 2.144
697 H GLY 92 HN GLY 92 -0.616 3.861 3.861
698 1HA GLY 92 HA1 GLY 92 0.355 4.341 4.341
699 2HA GLY 92 HA2 GLY 92 -1.237 5.072 5.072
700 H ASP 93 HN ASP 93 -0.937 7.254 7.254
701 HA ASP 93 HA ASP 93 0.964 8.041 8.041
702 1HB ASP 93 HB2 ASP 93 -0.117 9.693 9.693
703 2HB ASP 93 HB3 ASP 93 1.116 10.208 10.208
704 H GLY 94 HN GLY 94 0.161 9.364 9.364
705 1HA GLY 94 HA1 GLY 94 -1.286 10.662 10.662
706 2HA GLY 94 HA2 GLY 94 -2.300 10.817 10.817
707 H LYS 95 HN LYS 95 -1.670 7.523 7.523
708 HA LYS 95 HA LYS 95 -3.342 6.823 6.823
709 1HB LYS 95 HB2 LYS 95 -5.423 6.472 6.472
710 2HB LYS 95 HB3 LYS 95 -4.955 7.931 7.931
711 1HG LYS 95 HG2 LYS 95 -4.570 5.106 5.106
712 2HG LYS 95 HG3 LYS 95 -5.925 6.142 6.142
713 1HD LYS 95 HD2 LYS 95 -3.053 7.064 7.064
714 2HD LYS 95 HD3 LYS 95 -3.887 6.119 6.119
715 1HE LYS 95 HE2 LYS 95 -4.895 8.773 8.773
716 2HE LYS 95 HE3 LYS 95 -4.072 8.592 8.592
717 1HZ LYS 95 HZ2 LYS 95 -6.214 6.781 6.781
718 2HZ LYS 95 HZ3 LYS 95 -6.739 8.307 8.307
719 3HZ LYS 95 HZ1 LYS 95 -5.947 7.935 7.935
720 H MET 96 HN MET 96 -3.153 4.619 4.619
721 HA MET 96 HA MET 96 -2.044 3.021 3.021
722 1HB MET 96 HB2 MET 96 -0.782 2.337 2.337
723 2HB MET 96 HB3 MET 96 -0.009 2.783 2.783
724 1HG MET 96 HG2 MET 96 -0.689 5.248 5.248
725 2HG MET 96 HG3 MET 96 -0.925 4.608 4.608
726 1HE MET 96 HE1 MET 96 0.546 3.608 3.608
727 2HE MET 96 HE2 MET 96 2.324 3.656 3.656
728 3HE MET 96 HE3 MET 96 1.399 5.148 5.148
729 H HIS 97 HN HIS 97 -1.479 0.734 0.734
730 HA HIS 97 HA HIS 97 -4.086 0.209 0.209
731 1HB HIS 97 HB2 HIS 97 -3.060 -0.958 -0.958
732 2HB HIS 97 HB3 HIS 97 -3.407 -2.186 -2.186
733 HD1 HIS 97 HD1 HIS 97 -5.359 -2.859 -2.859
734 HD2 HIS 97 HD2 HIS 97 -5.856 0.772 0.772
735 HE1 HIS 97 HE1 HIS 97 -7.816 -2.222 -2.222
736 H ILE 98 HN ILE 98 -3.870 -0.704 -0.704
737 HA ILE 98 HA ILE 98 -1.482 -2.298 -2.298
738 HB ILE 98 HB ILE 98 -0.945 -1.133 -1.133
739 1HG1 ILE 98 HG12 ILE 98 -3.479 0.392 0.392
740 2HG1 ILE 98 HG13 ILE 98 -2.952 -0.399 -0.399
741 1HG2 ILE 98 HG21 ILE 98 -0.335 -0.250 -0.250
742 2HG2 ILE 98 HG22 ILE 98 -1.219 1.181 1.181
743 3HG2 ILE 98 HG23 ILE 98 0.197 0.582 0.582
744 1HD1 ILE 98 HD13 ILE 98 -1.061 1.690 1.690
745 2HD1 ILE 98 HD11 ILE 98 -2.699 2.324 2.324
746 3HD1 ILE 98 HD12 ILE 98 -1.840 1.450 1.450
747 H THR 99 HN THR 99 -1.829 -4.008 -4.008
748 HA THR 99 HA THR 99 -4.430 -4.100 -4.100
749 HB THR 99 HB THR 99 -4.306 -6.639 -6.639
750 HG1 THR 99 HG1 THR 99 -3.438 -6.350 -6.350
751 1HG2 THR 99 HG23 THR 99 -5.807 -4.326 -4.326
752 2HG2 THR 99 HG21 THR 99 -5.171 -4.927 -4.927
753 3HG2 THR 99 HG22 THR 99 -6.151 -5.994 -5.994
754 H LEU 100 HN LEU 100 -4.536 -5.976 -5.976
755 HA LEU 100 HA LEU 100 -2.374 -5.774 -5.774
756 1HB LEU 100 HB2 LEU 100 -3.598 -7.067 -7.067
757 2HB LEU 100 HB3 LEU 100 -4.853 -6.432 -6.432
758 HG LEU 100 HG LEU 100 -3.602 -9.124 -9.124
759 1HD1 LEU 100 HD12 LEU 100 -5.292 -8.382 -8.382
760 2HD1 LEU 100 HD13 LEU 100 -6.017 -9.656 -9.656
761 3HD1 LEU 100 HD11 LEU 100 -4.392 -9.884 -9.884
762 1HD2 LEU 100 HD21 LEU 100 -5.612 -7.524 -7.524
763 2HD2 LEU 100 HD22 LEU 100 -4.983 -9.122 -9.122
764 3HD2 LEU 100 HD23 LEU 100 -6.368 -9.004 -9.004
765 H CYS 101 HN CYS 101 -3.287 -8.328 -8.328
766 HA CYS 101 HA CYS 101 -1.227 -10.070 -10.070
767 1HB CYS 101 HB2 CYS 101 -3.360 -10.303 -10.303
768 2HB CYS 101 HB3 CYS 101 -2.226 -9.881 -9.881
769 H ASP 102 HN ASP 102 -1.433 -7.130 -7.130
770 HA ASP 102 HA ASP 102 1.007 -7.565 -7.565
771 1HB ASP 102 HB2 ASP 102 -1.059 -5.918 -5.918
772 2HB ASP 102 HB3 ASP 102 -0.113 -4.803 -4.803
773 H PHE 103 HN PHE 103 2.892 -5.874 -5.874
774 HA PHE 103 HA PHE 103 3.747 -5.976 -5.976
775 1HB PHE 103 HB2 PHE 103 5.373 -6.090 -6.090
776 2HB PHE 103 HB3 PHE 103 4.653 -4.733 -4.733
777 HD1 PHE 103 HD2 PHE 103 5.155 -4.430 -4.430
778 HD2 PHE 103 HD1 PHE 103 6.902 -3.750 -3.750
779 HE1 PHE 103 HE2 PHE 103 6.836 -2.888 -2.888
780 HE2 PHE 103 HE1 PHE 103 8.583 -2.207 -2.207
781 HZ PHE 103 HZ PHE 103 8.530 -1.795 -1.795
782 H ILE 104 HN ILE 104 3.139 -4.631 -4.631
783 HA ILE 104 HA ILE 104 3.200 -1.818 -1.818
784 HB ILE 104 HB ILE 104 0.746 -1.609 -1.609
785 1HG1 ILE 104 HG12 ILE 104 0.582 -4.266 -4.266
786 2HG1 ILE 104 HG13 ILE 104 0.407 -4.059 -4.059
787 1HG2 ILE 104 HG22 ILE 104 2.014 -1.216 -1.216
788 2HG2 ILE 104 HG23 ILE 104 0.706 -2.326 -2.326
789 3HG2 ILE 104 HG21 ILE 104 0.319 -0.790 -0.790
790 1HD1 ILE 104 HD13 ILE 104 -1.483 -2.395 -2.395
791 2HD1 ILE 104 HD11 ILE 104 -1.389 -2.930 -2.930
792 3HD1 ILE 104 HD12 ILE 104 -1.822 -4.091 -4.091
793 H VAL 105 HN VAL 105 3.683 -0.835 -0.835
794 HA VAL 105 HA VAL 105 2.935 -2.120 -2.120
795 HB VAL 105 HB VAL 105 5.650 -1.728 -1.728
796 1HG1 VAL 105 HG13 VAL 105 3.722 -3.931 -3.931
797 2HG1 VAL 105 HG11 VAL 105 5.382 -4.461 -4.461
798 3HG1 VAL 105 HG12 VAL 105 5.039 -3.578 -3.578
799 1HG2 VAL 105 HG23 VAL 105 5.697 -1.716 -1.716
800 2HG2 VAL 105 HG21 VAL 105 6.890 -2.686 -2.686
801 3HG2 VAL 105 HG22 VAL 105 5.471 -3.474 -3.474
802 HA PRO 106 HA PRO 106 3.080 2.015 2.015
803 1HB PRO 106 HB2 PRO 106 3.395 1.813 1.813
804 2HB PRO 106 HB3 PRO 106 1.857 1.578 1.578
805 1HG PRO 106 HG2 PRO 106 3.671 -0.448 -0.448
806 2HG PRO 106 HG3 PRO 106 1.976 -0.603 -0.603
807 1HD PRO 106 HD2 PRO 106 4.208 -1.620 -1.620
808 2HD PRO 106 HD3 PRO 106 2.521 -1.672 -1.672
809 H TRP 107 HN TRP 107 5.722 0.373 0.373
810 HA TRP 107 HA TRP 107 7.844 0.997 0.997
811 1HB TRP 107 HB2 TRP 107 6.725 3.293 3.293
812 2HB TRP 107 HB3 TRP 107 7.271 3.710 3.710
813 HD1 TRP 107 HD1 TRP 107 9.126 1.952 1.952
814 HE1 TRP 107 HE1 TRP 107 11.478 3.078 3.078
815 HE3 TRP 107 HE3 TRP 107 8.669 5.447 5.447
816 HZ2 TRP 107 HZ2 TRP 107 12.852 5.256 5.256
817 HZ3 TRP 107 HZ3 TRP 107 10.561 7.036 7.036
818 HH2 TRP 107 HH2 TRP 107 12.600 6.980 6.980
819 H ASP 108 HN ASP 108 6.481 2.606 2.606
820 HA ASP 108 HA ASP 108 8.737 2.021 2.021
821 1HB ASP 108 HB2 ASP 108 7.054 3.806 3.806
822 2HB ASP 108 HB3 ASP 108 5.862 2.574 2.574
823 H THR 109 HN THR 109 8.288 -0.405 -0.405
824 HA THR 109 HA THR 109 7.695 -2.106 -2.106
825 HB THR 109 HB THR 109 5.913 -3.361 -3.361
826 HG1 THR 109 HG1 THR 109 6.075 -0.672 -0.672
827 1HG2 THR 109 HG23 THR 109 5.368 -1.781 -1.781
828 2HG2 THR 109 HG21 THR 109 5.105 -0.515 -0.515
829 3HG2 THR 109 HG22 THR 109 4.086 -1.974 -1.974
830 H LEU 110 HN LEU 110 7.991 -2.078 -2.078
831 HA LEU 110 HA LEU 110 8.903 -3.925 -3.925
832 1HB LEU 110 HB2 LEU 110 11.151 -2.162 -2.162
833 2HB LEU 110 HB3 LEU 110 11.214 -3.216 -3.216
834 HG LEU 110 HG LEU 110 9.322 -0.868 -0.868
835 1HD1 LEU 110 HD13 LEU 110 11.807 -0.326 -0.326
836 2HD1 LEU 110 HD11 LEU 110 11.751 -0.984 -0.984
837 3HD1 LEU 110 HD12 LEU 110 10.748 0.421 0.421
838 1HD2 LEU 110 HD23 LEU 110 9.146 -3.081 -3.081
839 2HD2 LEU 110 HD21 LEU 110 8.290 -1.529 -1.529
840 3HD2 LEU 110 HD22 LEU 110 9.832 -1.788 -1.788
841 H SER 111 HN SER 111 11.884 -3.686 -3.686
842 HA SER 111 HA SER 111 11.910 -5.149 -5.149
843 1HB SER 111 HB2 SER 111 10.954 -6.960 -6.960
844 2HB SER 111 HB3 SER 111 12.082 -7.639 -7.639
845 HG SER 111 HG SER 111 10.635 -7.362 -7.362
846 H THR 112 HN THR 112 12.989 -5.417 -5.417
847 HA THR 112 HA THR 112 15.492 -4.572 -4.572
848 HB THR 112 HB THR 112 15.220 -7.211 -7.211
849 HG1 THR 112 HG1 THR 112 16.194 -5.652 -5.652
850 1HG2 THR 112 HG22 THR 112 17.475 -6.563 -6.563
851 2HG2 THR 112 HG23 THR 112 17.682 -7.678 -7.678
852 3HG2 THR 112 HG21 THR 112 16.514 -8.059 -8.059
853 H THR 113 HN THR 113 14.243 -7.833 -7.833
854 HA THR 113 HA THR 113 15.504 -7.871 -7.871
855 HB THR 113 HB THR 113 12.882 -9.074 -9.074
856 HG1 THR 113 HG1 THR 113 14.827 -9.807 -9.807
857 1HG2 THR 113 HG21 THR 113 14.550 -9.838 -9.838
858 2HG2 THR 113 HG22 THR 113 13.151 -10.741 -10.741
859 3HG2 THR 113 HG23 THR 113 12.924 -9.118 -9.118
860 H GLN 114 HN GLN 114 12.815 -5.899 -5.899
861 HA GLN 114 HA GLN 114 11.984 -5.407 -5.407
862 1HB GLN 114 HB2 GLN 114 11.057 -4.547 -4.547
863 2HB GLN 114 HB3 GLN 114 10.560 -3.598 -3.598
864 1HG GLN 114 HG2 GLN 114 8.837 -5.133 -5.133
865 2HG GLN 114 HG3 GLN 114 9.989 -6.046 -6.046
866 1HE2 GLN 114 HE22 GLN 114 10.988 -8.227 -8.227
867 2HE2 GLN 114 HE21 GLN 114 11.652 -7.268 -7.268
868 H LYS 115 HN LYS 115 13.869 -3.838 -3.838
869 HA LYS 115 HA LYS 115 14.067 -1.326 -1.326
870 1HB LYS 115 HB2 LYS 115 15.124 -2.677 -2.677
871 2HB LYS 115 HB3 LYS 115 16.310 -1.621 -1.621
872 1HG LYS 115 HG2 LYS 115 15.078 0.301 0.301
873 2HG LYS 115 HG3 LYS 115 13.536 -0.510 -0.510
874 1HD LYS 115 HD2 LYS 115 15.382 -0.601 -0.601
875 2HD LYS 115 HD3 LYS 115 13.765 0.070 0.070
876 1HE LYS 115 HE2 LYS 115 13.041 -2.374 -2.374
877 2HE LYS 115 HE3 LYS 115 14.595 -2.851 -2.851
878 1HZ LYS 115 HZ3 LYS 115 13.817 -1.427 -1.427
879 2HZ LYS 115 HZ1 LYS 115 12.322 -1.681 -1.681
880 3HZ LYS 115 HZ2 LYS 115 13.254 -2.950 -2.950
881 H LYS 116 HN LYS 116 16.045 -4.333 -4.333
882 HA LYS 116 HA LYS 116 18.164 -3.263 -3.263
883 1HB LYS 116 HB2 LYS 116 18.716 -5.596 -5.596
884 2HB LYS 116 HB3 LYS 116 18.310 -5.374 -5.374
885 1HG LYS 116 HG2 LYS 116 16.388 -6.639 -6.639
886 2HG LYS 116 HG3 LYS 116 15.990 -6.046 -6.046
887 1HD LYS 116 HD2 LYS 116 18.444 -7.640 -7.640
888 2HD LYS 116 HD3 LYS 116 17.151 -8.554 -8.554
889 1HE LYS 116 HE2 LYS 116 15.992 -8.758 -8.758
890 2HE LYS 116 HE3 LYS 116 16.234 -7.075 -7.075
891 1HZ LYS 116 HZ3 LYS 116 18.387 -9.054 -9.054
892 2HZ LYS 116 HZ1 LYS 116 17.360 -8.748 -8.748
893 3HZ LYS 116 HZ2 LYS 116 18.331 -7.564 -7.564
894 H SER 117 HN SER 117 14.863 -3.970 -3.970
895 HA SER 117 HA SER 117 15.542 -4.131 -4.131
896 1HB SER 117 HB2 SER 117 13.445 -5.144 -5.144
897 2HB SER 117 HB3 SER 117 12.683 -3.927 -3.927
898 HG SER 117 HG SER 117 13.467 -4.989 -4.989
899 H LEU 118 HN LEU 118 14.923 -1.754 -1.754
900 HA LEU 118 HA LEU 118 13.579 0.077 0.077
901 1HB LEU 118 HB2 LEU 118 14.335 0.015 0.015
902 2HB LEU 118 HB3 LEU 118 14.119 1.579 1.579
903 HG LEU 118 HG LEU 118 11.921 -0.264 -0.264
904 1HD1 LEU 118 HD11 LEU 118 12.688 0.256 0.256
905 2HD1 LEU 118 HD12 LEU 118 10.979 0.086 0.086
906 3HD1 LEU 118 HD13 LEU 118 12.122 -1.246 -1.246
907 1HD2 LEU 118 HD22 LEU 118 12.399 2.532 2.532
908 2HD2 LEU 118 HD23 LEU 118 10.955 1.704 1.704
909 3HD2 LEU 118 HD21 LEU 118 11.094 2.056 2.056
910 H ASN 119 HN ASN 119 16.710 -1.073 -1.073
911 HA ASN 119 HA ASN 119 18.103 1.364 1.364
912 1HB ASN 119 HB2 ASN 119 19.692 -0.193 -0.193
913 2HB ASN 119 HB3 ASN 119 18.706 -1.515 -1.515
914 1HD2 ASN 119 HD22 ASN 119 21.041 -2.085 -2.085
915 2HD2 ASN 119 HD21 ASN 119 20.171 -2.645 -2.645
916 H HIS 120 HN HIS 120 17.401 -1.303 -1.303
917 HA HIS 120 HA HIS 120 18.359 0.166 0.166
918 1HB HIS 120 HB2 HIS 120 16.856 -2.384 -2.384
919 2HB HIS 120 HB3 HIS 120 16.846 -1.681 -1.681
920 HD1 HIS 120 HD1 HIS 120 19.972 -1.140 -1.140
921 HD2 HIS 120 HD2 HIS 120 18.479 -3.912 -3.912
922 HE1 HIS 120 HE1 HIS 120 21.979 -2.489 -2.489
923 H ARG 121 HN ARG 121 15.202 -1.135 -1.135
924 HA ARG 121 HA ARG 121 13.950 1.426 1.426
925 1HB ARG 121 HB2 ARG 121 13.915 0.054 0.054
926 2HB ARG 121 HB3 ARG 121 13.215 1.610 1.610
927 1HG ARG 121 HG2 ARG 121 15.844 1.977 1.977
928 2HG ARG 121 HG3 ARG 121 16.050 0.898 0.898
929 1HD ARG 121 HD2 ARG 121 14.094 2.895 2.895
930 2HD ARG 121 HD3 ARG 121 15.467 3.724 3.724
931 HE ARG 121 HE ARG 121 15.417 2.335 2.335
932 1HH1 ARG 121 HH22 ARG 121 17.517 3.170 3.170
933 2HH1 ARG 121 HH21 ARG 121 18.970 3.092 3.092
934 1HH2 ARG 121 HH12 ARG 121 17.334 2.231 2.231
935 2HH2 ARG 121 HH11 ARG 121 18.865 2.554 2.554
936 H TYR 122 HN TYR 122 13.129 -1.372 -1.372
937 HA TYR 122 HA TYR 122 11.073 -2.168 -2.168
938 1HB TYR 122 HB2 TYR 122 9.487 -2.264 -2.264
939 2HB TYR 122 HB3 TYR 122 10.200 -0.663 -0.663
940 HD1 TYR 122 HD1 TYR 122 12.160 -0.184 -0.184
941 HD2 TYR 122 HD2 TYR 122 9.668 -3.643 -3.643
942 HE1 TYR 122 HE1 TYR 122 12.908 -0.487 -0.487
943 HE2 TYR 122 HE2 TYR 122 10.425 -3.935 -3.935
944 HH TYR 122 HH TYR 122 12.327 -1.493 -1.493
945 H GLN 123 HN GLN 123 13.856 -3.047 -3.047
946 HA GLN 123 HA GLN 123 13.157 -5.800 -5.800
947 1HB GLN 123 HB2 GLN 123 12.819 -4.736 -4.736
948 2HB GLN 123 HB3 GLN 123 14.514 -5.170 -5.170
949 1HG GLN 123 HG2 GLN 123 13.108 -7.357 -7.357
950 2HG GLN 123 HG3 GLN 123 12.215 -6.902 -6.902
951 1HE2 GLN 123 HE22 GLN 123 14.583 -7.962 -7.962
952 2HE2 GLN 123 HE21 GLN 123 13.146 -7.050 -7.050
953 H MET 124 HN MET 124 14.685 -5.283 -5.283
954 HA MET 124 HA MET 124 17.300 -4.482 -4.482
955 1HB MET 124 HB2 MET 124 15.673 -5.093 -5.093
956 2HB MET 124 HB3 MET 124 17.053 -6.167 -6.167
957 1HG MET 124 HG2 MET 124 17.930 -3.483 -3.483
958 2HG MET 124 HG3 MET 124 16.962 -3.407 -3.407
959 1HE MET 124 HE3 MET 124 19.602 -4.987 -4.987
960 2HE MET 124 HE1 MET 124 20.859 -4.172 -4.172
961 3HE MET 124 HE2 MET 124 20.622 -5.930 -5.930
962 H GLY 125 HN GLY 125 17.064 -6.272 -6.272
963 1HA GLY 125 HA1 GLY 125 17.710 -8.272 -8.272
964 2HA GLY 125 HA2 GLY 125 19.153 -7.950 -7.950
965 H CYS 126 HN CYS 126 16.021 -8.418 -8.418
966 HA CYS 126 HA CYS 126 17.049 -10.466 -10.466
967 1HB CYS 126 HB2 CYS 126 15.096 -10.352 -10.352
968 2HB CYS 126 HB3 CYS 126 15.060 -8.792 -8.792
969 H GLU 127 HN GLU 127 14.966 -12.425 -12.425
970 HA GLU 127 HA GLU 127 14.275 -13.406 -13.406
971 1HB GLU 127 HB2 GLU 127 16.720 -13.717 -13.717
972 2HB GLU 127 HB3 GLU 127 16.807 -14.694 -14.694
973 1HG GLU 127 HG2 GLU 127 15.389 -16.418 -16.418
974 2HG GLU 127 HG3 GLU 127 14.981 -15.400 -15.400
Start of MODEL 45
1 H CYS 1 HN CYS 1 -7.887 -8.899 -8.899
2 HA CYS 1 HA CYS 1 -9.486 -8.566 -8.566
3 1HB CYS 1 HB2 CYS 1 -10.017 -10.699 -10.699
4 2HB CYS 1 HB3 CYS 1 -11.247 -10.263 -10.263
5 H SER 2 HN SER 2 -7.200 -10.405 -10.405
6 HA SER 2 HA SER 2 -7.860 -11.194 -11.194
7 1HB SER 2 HB2 SER 2 -8.697 -13.662 -13.662
8 2HB SER 2 HB3 SER 2 -9.860 -12.356 -12.356
9 HG SER 2 HG SER 2 -9.055 -14.192 -14.192
10 H CYS 3 HN CYS 3 -6.307 -11.799 -11.799
11 HA CYS 3 HA CYS 3 -4.844 -14.029 -14.029
12 1HB CYS 3 HB2 CYS 3 -3.382 -11.580 -11.580
13 2HB CYS 3 HB3 CYS 3 -3.394 -13.189 -13.189
14 H SER 4 HN SER 4 -2.422 -14.200 -14.200
15 HA SER 4 HA SER 4 -2.213 -12.970 -12.970
16 1HB SER 4 HB2 SER 4 -0.696 -14.764 -14.764
17 2HB SER 4 HB3 SER 4 -2.081 -15.479 -15.479
18 HG SER 4 HG SER 4 -0.887 -15.929 -15.929
19 HA PRO 5 HA PRO 5 0.889 -10.444 -10.444
20 1HB PRO 5 HB2 PRO 5 1.221 -8.724 -8.724
21 2HB PRO 5 HB3 PRO 5 -0.011 -8.511 -8.511
22 1HG PRO 5 HG2 PRO 5 -0.313 -9.454 -9.454
23 2HG PRO 5 HG3 PRO 5 -1.539 -8.838 -8.838
24 1HD PRO 5 HD2 PRO 5 -1.084 -11.584 -11.584
25 2HD PRO 5 HD3 PRO 5 -2.233 -10.976 -10.976
26 H VAL 6 HN VAL 6 2.440 -12.093 -12.093
27 HA VAL 6 HA VAL 6 4.217 -12.183 -12.183
28 HB VAL 6 HB VAL 6 3.051 -14.292 -14.292
29 1HG1 VAL 6 HG13 VAL 6 4.012 -13.551 -13.551
30 2HG1 VAL 6 HG11 VAL 6 4.641 -15.154 -15.154
31 3HG1 VAL 6 HG12 VAL 6 2.887 -14.850 -14.850
32 1HG2 VAL 6 HG21 VAL 6 5.907 -13.866 -13.866
33 2HG2 VAL 6 HG22 VAL 6 4.818 -15.077 -15.077
34 3HG2 VAL 6 HG23 VAL 6 5.575 -15.389 -15.389
35 H HIS 7 HN HIS 7 5.922 -13.702 -13.702
36 HA HIS 7 HA HIS 7 7.864 -13.043 -13.043
37 1HB HIS 7 HB2 HIS 7 7.332 -11.540 -11.540
38 2HB HIS 7 HB3 HIS 7 6.779 -13.200 -13.200
39 HD1 HIS 7 HD1 HIS 7 4.407 -13.469 -13.469
40 HD2 HIS 7 HD2 HIS 7 5.105 -9.722 -9.722
41 HE1 HIS 7 HE1 HIS 7 2.190 -12.210 -12.210
42 HA PRO 8 HA PRO 8 8.442 -9.154 -9.154
43 1HB PRO 8 HB2 PRO 8 10.651 -9.900 -9.900
44 2HB PRO 8 HB3 PRO 8 9.017 -10.043 -10.043
45 1HG PRO 8 HG2 PRO 8 10.812 -12.167 -12.167
46 2HG PRO 8 HG3 PRO 8 9.378 -12.321 -12.321
47 1HD PRO 8 HD2 PRO 8 9.587 -12.885 -12.885
48 2HD PRO 8 HD3 PRO 8 8.130 -12.927 -12.927
49 H GLN 9 HN GLN 9 9.671 -10.572 -10.572
50 HA GLN 9 HA GLN 9 11.500 -8.363 -8.363
51 1HB GLN 9 HB2 GLN 9 12.977 -10.162 -10.162
52 2HB GLN 9 HB3 GLN 9 12.238 -11.292 -11.292
53 1HG GLN 9 HG2 GLN 9 13.527 -10.574 -10.574
54 2HG GLN 9 HG3 GLN 9 13.164 -8.891 -8.891
55 1HE2 GLN 9 HE22 GLN 9 15.802 -8.703 -8.703
56 2HE2 GLN 9 HE21 GLN 9 14.083 -8.508 -8.508
57 H GLN 10 HN GLN 10 9.817 -11.238 -11.238
58 HA GLN 10 HA GLN 10 10.105 -10.464 -10.464
59 1HB GLN 10 HB2 GLN 10 9.164 -12.495 -12.495
60 2HB GLN 10 HB3 GLN 10 8.863 -12.571 -12.571
61 1HG GLN 10 HG2 GLN 10 6.686 -12.786 -12.786
62 2HG GLN 10 HG3 GLN 10 6.761 -11.051 -11.051
63 1HE2 GLN 10 HE22 GLN 10 5.337 -11.188 -11.188
64 2HE2 GLN 10 HE21 GLN 10 4.961 -11.277 -11.277
65 H ALA 11 HN ALA 11 8.448 -8.905 -8.905
66 HA ALA 11 HA ALA 11 6.209 -8.002 -8.002
67 1HB ALA 11 HB2 ALA 11 7.099 -7.982 -7.982
68 2HB ALA 11 HB3 ALA 11 6.487 -6.388 -6.388
69 3HB ALA 11 HB1 ALA 11 5.456 -7.829 -7.829
70 H PHE 12 HN PHE 12 9.489 -6.924 -6.924
71 HA PHE 12 HA PHE 12 9.001 -4.318 -4.318
72 1HB PHE 12 HB2 PHE 12 11.444 -5.715 -5.715
73 2HB PHE 12 HB3 PHE 12 11.423 -4.025 -4.025
74 HD1 PHE 12 HD1 PHE 12 8.890 -6.086 -6.086
75 HD2 PHE 12 HD2 PHE 12 11.548 -2.781 -2.781
76 HE1 PHE 12 HE1 PHE 12 8.013 -5.473 -5.473
77 HE2 PHE 12 HE2 PHE 12 10.671 -2.168 -2.168
78 HZ PHE 12 HZ PHE 12 8.913 -3.521 -3.521
79 H CYS 13 HN CYS 13 9.398 -7.261 -7.261
80 HA CYS 13 HA CYS 13 11.277 -6.267 -6.267
81 1HB CYS 13 HB2 CYS 13 10.896 -8.963 -8.963
82 2HB CYS 13 HB3 CYS 13 11.294 -8.892 -8.892
83 H ASN 14 HN ASN 14 8.036 -6.947 -6.947
84 HA ASN 14 HA ASN 14 7.363 -7.641 -7.641
85 1HB ASN 14 HB2 ASN 14 6.361 -8.491 -8.491
86 2HB ASN 14 HB3 ASN 14 5.107 -7.442 -7.442
87 1HD2 ASN 14 HD22 ASN 14 5.993 -11.076 -11.076
88 2HD2 ASN 14 HD21 ASN 14 6.986 -10.338 -10.338
89 H ALA 15 HN ALA 15 6.861 -5.268 -5.268
90 HA ALA 15 HA ALA 15 4.870 -3.717 -3.717
91 1HB ALA 15 HB1 ALA 15 7.280 -2.978 -2.978
92 2HB ALA 15 HB2 ALA 15 5.893 -1.902 -1.902
93 3HB ALA 15 HB3 ALA 15 5.659 -3.440 -3.440
94 H ASP 16 HN ASP 16 5.205 -1.379 -1.379
95 HA ASP 16 HA ASP 16 7.539 -1.182 -1.182
96 1HB ASP 16 HB2 ASP 16 4.744 -1.643 -1.643
97 2HB ASP 16 HB3 ASP 16 5.639 -0.391 -0.391
98 H VAL 17 HN VAL 17 5.880 0.107 0.107
99 HA VAL 17 HA VAL 17 6.446 2.795 2.795
100 HB VAL 17 HB VAL 17 4.322 2.456 2.456
101 1HG1 VAL 17 HG11 VAL 17 3.475 0.792 0.792
102 2HG1 VAL 17 HG12 VAL 17 2.894 2.256 2.256
103 3HG1 VAL 17 HG13 VAL 17 2.307 1.868 1.868
104 1HG2 VAL 17 HG22 VAL 17 5.043 4.660 4.660
105 2HG2 VAL 17 HG23 VAL 17 3.308 4.491 4.491
106 3HG2 VAL 17 HG21 VAL 17 3.894 4.309 4.309
107 H VAL 18 HN VAL 18 7.791 2.376 2.376
108 HA VAL 18 HA VAL 18 6.311 1.982 1.982
109 HB VAL 18 HB VAL 18 9.246 2.261 2.261
110 1HG1 VAL 18 HG11 VAL 18 7.122 0.928 0.928
111 2HG1 VAL 18 HG12 VAL 18 8.432 -0.209 -0.209
112 3HG1 VAL 18 HG13 VAL 18 8.793 1.285 1.285
113 1HG2 VAL 18 HG23 VAL 18 7.952 0.529 0.529
114 2HG2 VAL 18 HG21 VAL 18 9.668 0.962 0.962
115 3HG2 VAL 18 HG22 VAL 18 8.977 -0.379 -0.379
116 H ILE 19 HN ILE 19 5.696 3.703 3.703
117 HA ILE 19 HA ILE 19 7.428 6.031 6.031
118 HB ILE 19 HB ILE 19 5.666 7.580 7.580
119 1HG1 ILE 19 HG12 ILE 19 3.947 5.122 5.122
120 2HG1 ILE 19 HG13 ILE 19 3.657 6.674 6.674
121 1HG2 ILE 19 HG23 ILE 19 7.106 6.422 6.422
122 2HG2 ILE 19 HG21 ILE 19 5.605 5.572 5.572
123 3HG2 ILE 19 HG22 ILE 19 5.677 7.350 7.350
124 1HD1 ILE 19 HD13 ILE 19 3.673 7.603 7.603
125 2HD1 ILE 19 HD11 ILE 19 3.362 5.904 5.904
126 3HD1 ILE 19 HD12 ILE 19 2.224 6.778 6.778
127 H ARG 20 HN ARG 20 7.680 6.688 6.688
128 HA ARG 20 HA ARG 20 6.140 5.381 5.381
129 1HB ARG 20 HB2 ARG 20 8.650 6.127 6.127
130 2HB ARG 20 HB3 ARG 20 8.035 7.720 7.720
131 1HG ARG 20 HG2 ARG 20 6.627 5.900 5.900
132 2HG ARG 20 HG3 ARG 20 8.302 5.388 5.388
133 1HD ARG 20 HD2 ARG 20 7.261 8.198 8.198
134 2HD ARG 20 HD3 ARG 20 7.908 7.061 7.061
135 HE ARG 20 HE ARG 20 9.795 7.594 7.594
136 1HH1 ARG 20 HH22 ARG 20 8.548 8.831 8.831
137 2HH1 ARG 20 HH21 ARG 20 9.976 9.742 9.742
138 1HH2 ARG 20 HH12 ARG 20 11.680 8.795 8.795
139 2HH2 ARG 20 HH11 ARG 20 11.769 9.722 9.722
140 H THR 21 HN THR 21 4.399 6.889 6.889
141 HA THR 21 HA THR 21 3.914 9.489 9.489
142 HB THR 21 HB THR 21 3.118 8.817 8.817
143 HG1 THR 21 HG1 THR 21 0.888 8.726 8.726
144 1HG2 THR 21 HG22 THR 21 2.821 6.304 6.304
145 2HG2 THR 21 HG23 THR 21 1.207 6.835 6.835
146 3HG2 THR 21 HG21 THR 21 1.671 6.973 6.973
147 H LYS 22 HN LYS 22 1.615 10.031 10.031
148 HA LYS 22 HA LYS 22 1.145 8.173 8.173
149 1HB LYS 22 HB2 LYS 22 0.928 10.010 10.010
150 2HB LYS 22 HB3 LYS 22 2.479 10.140 10.140
151 1HG LYS 22 HG2 LYS 22 1.661 11.885 11.885
152 2HG LYS 22 HG3 LYS 22 0.003 11.622 11.622
153 1HD LYS 22 HD2 LYS 22 2.260 12.929 12.929
154 2HD LYS 22 HD3 LYS 22 0.646 13.538 13.538
155 1HE LYS 22 HE2 LYS 22 -0.172 11.496 11.496
156 2HE LYS 22 HE3 LYS 22 1.494 11.380 11.380
157 1HZ LYS 22 HZ2 LYS 22 0.354 14.017 14.017
158 2HZ LYS 22 HZ3 LYS 22 -0.290 12.945 12.945
159 3HZ LYS 22 HZ1 LYS 22 1.312 13.257 13.257
160 H ALA 23 HN ALA 23 -0.882 7.379 7.379
161 HA ALA 23 HA ALA 23 -2.851 8.819 8.819
162 1HB ALA 23 HB1 ALA 23 -2.414 6.418 6.418
163 2HB ALA 23 HB2 ALA 23 -2.890 6.028 6.028
164 3HB ALA 23 HB3 ALA 23 -4.088 6.697 6.697
165 H VAL 24 HN VAL 24 -3.743 10.458 10.458
166 HA VAL 24 HA VAL 24 -4.608 9.734 9.734
167 HB VAL 24 HB VAL 24 -4.734 12.214 12.214
168 1HG1 VAL 24 HG13 VAL 24 -2.369 10.528 10.528
169 2HG1 VAL 24 HG11 VAL 24 -1.981 12.246 12.246
170 3HG1 VAL 24 HG12 VAL 24 -2.803 11.728 11.728
171 1HG2 VAL 24 HG23 VAL 24 -4.861 12.671 12.671
172 2HG2 VAL 24 HG21 VAL 24 -3.784 13.723 13.723
173 3HG2 VAL 24 HG22 VAL 24 -3.101 12.406 12.406
174 H SER 25 HN SER 25 -5.589 10.963 10.963
175 HA SER 25 HA SER 25 -8.335 10.926 10.926
176 1HB SER 25 HB2 SER 25 -8.067 13.087 13.087
177 2HB SER 25 HB3 SER 25 -6.894 12.602 12.602
178 HG SER 25 HG SER 25 -9.249 13.197 13.197
179 H GLU 26 HN GLU 26 -9.993 10.122 10.122
180 HA GLU 26 HA GLU 26 -8.874 8.430 8.430
181 1HB GLU 26 HB2 GLU 26 -10.401 7.402 7.402
182 2HB GLU 26 HB3 GLU 26 -10.476 6.542 6.542
183 1HG GLU 26 HG2 GLU 26 -8.546 5.515 5.515
184 2HG GLU 26 HG3 GLU 26 -7.739 7.031 7.031
185 H LYS 27 HN LYS 27 -11.033 7.146 7.146
186 HA LYS 27 HA LYS 27 -13.304 8.939 8.939
187 1HB LYS 27 HB2 LYS 27 -11.827 9.955 9.955
188 2HB LYS 27 HB3 LYS 27 -11.705 8.428 8.428
189 1HG LYS 27 HG2 LYS 27 -13.892 8.536 8.536
190 2HG LYS 27 HG3 LYS 27 -14.477 9.459 9.459
191 1HD LYS 27 HD2 LYS 27 -14.306 10.737 10.737
192 2HD LYS 27 HD3 LYS 27 -13.562 11.510 11.510
193 1HE LYS 27 HE2 LYS 27 -11.334 10.569 10.569
194 2HE LYS 27 HE3 LYS 27 -12.088 9.839 9.839
195 1HZ LYS 27 HZ2 LYS 27 -12.731 12.577 12.577
196 2HZ LYS 27 HZ3 LYS 27 -11.113 12.363 12.363
197 3HZ LYS 27 HZ1 LYS 27 -12.036 11.768 11.768
198 H GLU 28 HN GLU 28 -15.011 7.622 7.622
199 HA GLU 28 HA GLU 28 -14.729 4.855 4.855
200 1HB GLU 28 HB2 GLU 28 -16.001 5.434 5.434
201 2HB GLU 28 HB3 GLU 28 -16.970 6.603 6.603
202 1HG GLU 28 HG2 GLU 28 -17.739 4.534 4.534
203 2HG GLU 28 HG3 GLU 28 -17.115 3.573 3.573
204 H VAL 29 HN VAL 29 -14.603 4.341 4.341
205 HA VAL 29 HA VAL 29 -16.791 5.365 5.365
206 HB VAL 29 HB VAL 29 -15.269 4.967 4.967
207 1HG1 VAL 29 HG11 VAL 29 -15.350 7.115 7.115
208 2HG1 VAL 29 HG12 VAL 29 -13.623 6.704 6.704
209 3HG1 VAL 29 HG13 VAL 29 -14.352 7.036 7.036
210 1HG2 VAL 29 HG22 VAL 29 -13.707 3.613 3.613
211 2HG2 VAL 29 HG23 VAL 29 -13.506 3.623 3.623
212 3HG2 VAL 29 HG21 VAL 29 -12.737 4.887 4.887
213 H ASP 30 HN ASP 30 -18.382 3.834 3.834
214 HA ASP 30 HA ASP 30 -18.040 1.213 1.213
215 1HB ASP 30 HB2 ASP 30 -20.098 2.835 2.835
216 2HB ASP 30 HB3 ASP 30 -20.184 1.105 1.105
217 H SER 31 HN SER 31 -18.196 -0.746 -0.746
218 HA SER 31 HA SER 31 -17.329 -0.183 -0.183
219 1HB SER 31 HB2 SER 31 -15.212 -0.700 -0.700
220 2HB SER 31 HB3 SER 31 -15.815 -1.669 -1.669
221 HG SER 31 HG SER 31 -16.364 -3.351 -3.351
222 H GLY 32 HN GLY 32 -19.781 -1.222 -1.222
223 1HA GLY 32 HA1 GLY 32 -21.507 -2.577 -2.577
224 2HA GLY 32 HA2 GLY 32 -20.556 -3.238 -3.238
225 H ASN 33 HN ASN 33 -21.929 -5.155 -5.155
226 HA ASN 33 HA ASN 33 -20.612 -6.174 -6.174
227 1HB ASN 33 HB2 ASN 33 -22.514 -7.779 -7.779
228 2HB ASN 33 HB3 ASN 33 -22.310 -7.856 -7.856
229 1HD2 ASN 33 HD22 ASN 33 -24.135 -4.817 -4.817
230 2HD2 ASN 33 HD21 ASN 33 -22.693 -5.668 -5.668
231 H ASP 34 HN ASP 34 -19.754 -8.537 -8.537
232 HA ASP 34 HA ASP 34 -18.120 -8.792 -8.792
233 1HB ASP 34 HB2 ASP 34 -17.442 -9.022 -9.022
234 2HB ASP 34 HB3 ASP 34 -17.994 -10.671 -10.671
235 H ILE 35 HN ILE 35 -17.668 -11.680 -11.680
236 HA ILE 35 HA ILE 35 -20.045 -12.598 -12.598
237 HB ILE 35 HB ILE 35 -17.430 -13.965 -13.965
238 1HG1 ILE 35 HG12 ILE 35 -17.074 -13.606 -13.606
239 2HG1 ILE 35 HG13 ILE 35 -18.416 -12.480 -12.480
240 1HG2 ILE 35 HG21 ILE 35 -19.923 -14.896 -14.896
241 2HG2 ILE 35 HG22 ILE 35 -18.374 -15.356 -15.356
242 3HG2 ILE 35 HG23 ILE 35 -18.711 -15.796 -15.796
243 1HD1 ILE 35 HD12 ILE 35 -16.195 -12.179 -12.179
244 2HD1 ILE 35 HD13 ILE 35 -15.932 -11.616 -11.616
245 3HD1 ILE 35 HD11 ILE 35 -17.261 -10.935 -10.935
246 H TYR 36 HN TYR 36 -19.362 -12.087 -12.087
247 HA TYR 36 HA TYR 36 -20.673 -14.571 -14.571
248 1HB TYR 36 HB2 TYR 36 -18.329 -13.413 -13.413
249 2HB TYR 36 HB3 TYR 36 -19.419 -12.453 -12.453
250 HD1 TYR 36 HD1 TYR 36 -19.069 -16.094 -16.094
251 HD2 TYR 36 HD2 TYR 36 -19.624 -13.172 -13.172
252 HE1 TYR 36 HE1 TYR 36 -19.128 -17.937 -17.937
253 HE2 TYR 36 HE2 TYR 36 -19.682 -15.026 -15.026
254 HH TYR 36 HH TYR 36 -19.907 -17.216 -17.216
255 H GLY 37 HN GLY 37 -21.416 -11.444 -11.444
256 1HA GLY 37 HA1 GLY 37 -23.478 -10.455 -10.455
257 2HA GLY 37 HA2 GLY 37 -23.885 -11.507 -11.507
258 H ASN 38 HN ASN 38 -20.861 -10.607 -10.607
259 HA ASN 38 HA ASN 38 -21.865 -8.689 -8.689
260 1HB ASN 38 HB2 ASN 38 -19.350 -8.608 -8.608
261 2HB ASN 38 HB3 ASN 38 -20.172 -10.143 -10.143
262 1HD2 ASN 38 HD22 ASN 38 -16.925 -10.827 -10.827
263 2HD2 ASN 38 HD21 ASN 38 -17.517 -10.176 -10.176
264 HA PRO 39 HA PRO 39 -20.561 -5.149 -5.149
265 1HB PRO 39 HB2 PRO 39 -20.132 -3.328 -3.328
266 2HB PRO 39 HB3 PRO 39 -21.727 -3.727 -3.727
267 1HG PRO 39 HG2 PRO 39 -20.453 -4.544 -4.544
268 2HG PRO 39 HG3 PRO 39 -22.150 -4.565 -4.565
269 1HD PRO 39 HD2 PRO 39 -20.380 -6.818 -6.818
270 2HD PRO 39 HD3 PRO 39 -22.045 -6.821 -6.821
271 H ILE 40 HN ILE 40 -18.817 -4.563 -4.563
272 HA ILE 40 HA ILE 40 -16.327 -5.523 -5.523
273 HB ILE 40 HB ILE 40 -17.136 -3.787 -3.787
274 1HG1 ILE 40 HG12 ILE 40 -16.293 -6.696 -6.696
275 2HG1 ILE 40 HG13 ILE 40 -17.943 -6.129 -6.129
276 1HG2 ILE 40 HG22 ILE 40 -14.406 -4.905 -4.905
277 2HG2 ILE 40 HG23 ILE 40 -14.864 -4.233 -4.233
278 3HG2 ILE 40 HG21 ILE 40 -14.869 -3.192 -3.192
279 1HD1 ILE 40 HD12 ILE 40 -15.693 -5.563 -5.563
280 2HD1 ILE 40 HD13 ILE 40 -17.012 -6.737 -6.737
281 3HD1 ILE 40 HD11 ILE 40 -17.373 -4.995 -4.995
282 H LYS 41 HN LYS 41 -16.878 -2.139 -2.139
283 HA LYS 41 HA LYS 41 -16.364 -0.190 -0.190
284 1HB LYS 41 HB2 LYS 41 -17.660 -1.046 -1.046
285 2HB LYS 41 HB3 LYS 41 -16.161 -1.615 -1.615
286 1HG LYS 41 HG2 LYS 41 -15.294 0.593 0.593
287 2HG LYS 41 HG3 LYS 41 -16.422 1.274 1.274
288 1HD LYS 41 HD2 LYS 41 -17.405 -0.010 -0.010
289 2HD LYS 41 HD3 LYS 41 -16.877 1.661 1.661
290 1HE LYS 41 HE2 LYS 41 -19.136 0.433 0.433
291 2HE LYS 41 HE3 LYS 41 -19.302 1.589 1.589
292 1HZ LYS 41 HZ1 LYS 41 -17.554 2.702 2.702
293 2HZ LYS 41 HZ2 LYS 41 -18.764 2.080 2.080
294 3HZ LYS 41 HZ3 LYS 41 -19.098 3.153 3.153
295 H ARG 42 HN ARG 42 -14.477 0.894 0.894
296 HA ARG 42 HA ARG 42 -12.080 -0.477 -0.477
297 1HB ARG 42 HB2 ARG 42 -11.239 0.889 0.889
298 2HB ARG 42 HB3 ARG 42 -11.536 -0.836 -0.836
299 1HG ARG 42 HG2 ARG 42 -13.969 -0.385 -0.385
300 2HG ARG 42 HG3 ARG 42 -13.553 1.300 1.300
301 1HD ARG 42 HD2 ARG 42 -11.684 0.342 0.342
302 2HD ARG 42 HD3 ARG 42 -12.666 -1.109 -1.109
303 HE ARG 42 HE ARG 42 -14.452 1.019 1.019
304 1HH1 ARG 42 HH22 ARG 42 -11.635 -0.385 -0.385
305 2HH1 ARG 42 HH21 ARG 42 -12.140 0.070 0.070
306 1HH2 ARG 42 HH12 ARG 42 -15.117 1.619 1.619
307 2HH2 ARG 42 HH11 ARG 42 -14.134 1.217 1.217
308 H ILE 43 HN ILE 43 -12.720 1.218 1.218
309 HA ILE 43 HA ILE 43 -12.810 3.863 3.863
310 HB ILE 43 HB ILE 43 -12.038 1.967 1.967
311 1HG1 ILE 43 HG12 ILE 43 -12.830 3.991 3.991
312 2HG1 ILE 43 HG13 ILE 43 -13.263 4.713 4.713
313 1HG2 ILE 43 HG21 ILE 43 -9.779 2.967 2.967
314 2HG2 ILE 43 HG22 ILE 43 -10.472 4.555 4.555
315 3HG2 ILE 43 HG23 ILE 43 -10.505 3.237 3.237
316 1HD1 ILE 43 HD12 ILE 43 -14.254 2.114 2.114
317 2HD1 ILE 43 HD13 ILE 43 -14.557 2.502 2.502
318 3HD1 ILE 43 HD11 ILE 43 -15.210 3.553 3.553
319 H GLN 44 HN GLN 44 -11.303 5.658 5.658
320 HA GLN 44 HA GLN 44 -9.047 5.018 5.018
321 1HB GLN 44 HB2 GLN 44 -10.399 7.636 7.636
322 2HB GLN 44 HB3 GLN 44 -8.925 7.582 7.582
323 1HG GLN 44 HG2 GLN 44 -11.682 6.572 6.572
324 2HG GLN 44 HG3 GLN 44 -10.639 7.661 7.661
325 1HE2 GLN 44 HE22 GLN 44 -10.239 3.565 3.565
326 2HE2 GLN 44 HE21 GLN 44 -11.205 4.349 4.349
327 H TYR 45 HN TYR 45 -7.083 6.747 6.747
328 HA TYR 45 HA TYR 45 -6.576 6.703 6.703
329 1HB TYR 45 HB2 TYR 45 -5.229 5.360 5.360
330 2HB TYR 45 HB3 TYR 45 -4.118 6.223 6.223
331 HD1 TYR 45 HD2 TYR 45 -5.652 5.728 5.728
332 HD2 TYR 45 HD1 TYR 45 -4.499 3.137 3.137
333 HE1 TYR 45 HE2 TYR 45 -5.626 3.751 3.751
334 HE2 TYR 45 HE1 TYR 45 -4.477 1.169 1.169
335 HH TYR 45 HH TYR 45 -4.840 1.649 1.649
336 H GLU 46 HN GLU 46 -7.360 9.034 9.034
337 HA GLU 46 HA GLU 46 -5.711 10.635 10.635
338 1HB GLU 46 HB2 GLU 46 -8.136 10.980 10.980
339 2HB GLU 46 HB3 GLU 46 -7.204 11.799 11.799
340 1HG GLU 46 HG2 GLU 46 -6.226 13.326 13.326
341 2HG GLU 46 HG3 GLU 46 -6.956 12.432 12.432
342 H ILE 47 HN ILE 47 -3.587 9.684 9.684
343 HA ILE 47 HA ILE 47 -2.755 10.313 10.313
344 HB ILE 47 HB ILE 47 -0.537 9.686 9.686
345 1HG1 ILE 47 HG12 ILE 47 -1.860 9.946 9.946
346 2HG1 ILE 47 HG13 ILE 47 -0.297 10.533 10.533
347 1HG2 ILE 47 HG21 ILE 47 -2.861 8.079 8.079
348 2HG2 ILE 47 HG22 ILE 47 -1.900 7.506 7.506
349 3HG2 ILE 47 HG23 ILE 47 -1.166 7.589 7.589
350 1HD1 ILE 47 HD11 ILE 47 -0.065 7.767 7.767
351 2HD1 ILE 47 HD12 ILE 47 -1.018 7.919 7.919
352 3HD1 ILE 47 HD13 ILE 47 0.576 8.701 8.701
353 H LYS 48 HN LYS 48 -0.296 11.572 11.572
354 HA LYS 48 HA LYS 48 -0.992 14.183 14.183
355 1HB LYS 48 HB2 LYS 48 -1.186 13.815 13.815
356 2HB LYS 48 HB3 LYS 48 0.556 14.000 14.000
357 1HG LYS 48 HG2 LYS 48 -0.446 16.062 16.062
358 2HG LYS 48 HG3 LYS 48 -1.529 16.036 16.036
359 1HD LYS 48 HD2 LYS 48 1.473 16.487 16.487
360 2HD LYS 48 HD3 LYS 48 0.225 17.515 17.515
361 1HE LYS 48 HE2 LYS 48 -0.191 15.219 15.219
362 2HE LYS 48 HE3 LYS 48 1.532 15.093 15.093
363 1HZ LYS 48 HZ1 LYS 48 1.760 17.341 17.341
364 2HZ LYS 48 HZ2 LYS 48 0.159 17.410 17.410
365 3HZ LYS 48 HZ3 LYS 48 1.102 16.341 16.341
366 H GLN 49 HN GLN 49 0.936 11.513 11.513
367 HA GLN 49 HA GLN 49 2.926 11.082 11.082
368 1HB GLN 49 HB2 GLN 49 2.578 11.919 11.919
369 2HB GLN 49 HB3 GLN 49 2.012 13.467 13.467
370 1HG GLN 49 HG2 GLN 49 4.135 13.756 13.756
371 2HG GLN 49 HG3 GLN 49 4.353 14.167 14.167
372 1HE2 GLN 49 HE22 GLN 49 5.700 10.431 10.431
373 2HE2 GLN 49 HE21 GLN 49 4.172 11.062 11.062
374 H ILE 50 HN ILE 50 4.708 10.977 10.977
375 HA ILE 50 HA ILE 50 5.813 13.533 13.533
376 HB ILE 50 HB ILE 50 5.646 12.941 12.941
377 1HG1 ILE 50 HG12 ILE 50 6.929 10.375 10.375
378 2HG1 ILE 50 HG13 ILE 50 7.600 11.658 11.658
379 1HG2 ILE 50 HG22 ILE 50 3.468 12.045 12.045
380 2HG2 ILE 50 HG23 ILE 50 4.182 10.424 10.424
381 3HG2 ILE 50 HG21 ILE 50 3.940 11.453 11.453
382 1HD1 ILE 50 HD12 ILE 50 5.656 11.018 11.018
383 2HD1 ILE 50 HD13 ILE 50 5.653 9.484 9.484
384 3HD1 ILE 50 HD11 ILE 50 7.131 10.025 10.025
385 H LYS 51 HN LYS 51 6.261 10.243 10.243
386 HA LYS 51 HA LYS 51 8.935 11.007 11.007
387 1HB LYS 51 HB2 LYS 51 8.584 9.491 9.491
388 2HB LYS 51 HB3 LYS 51 9.005 8.316 8.316
389 1HG LYS 51 HG2 LYS 51 10.768 10.404 10.404
390 2HG LYS 51 HG3 LYS 51 10.657 10.474 10.474
391 1HD LYS 51 HD2 LYS 51 11.624 8.376 8.376
392 2HD LYS 51 HD3 LYS 51 10.980 7.743 7.743
393 1HE LYS 51 HE2 LYS 51 12.655 8.877 8.877
394 2HE LYS 51 HE3 LYS 51 13.137 9.894 9.894
395 1HZ LYS 51 HZ2 LYS 51 13.345 7.019 7.019
396 2HZ LYS 51 HZ3 LYS 51 14.457 7.767 7.767
397 3HZ LYS 51 HZ1 LYS 51 14.275 8.205 8.205
398 H MET 52 HN MET 52 9.825 9.407 9.407
399 HA MET 52 HA MET 52 7.772 7.740 7.740
400 1HB MET 52 HB2 MET 52 8.321 8.766 8.766
401 2HB MET 52 HB3 MET 52 7.430 9.823 9.823
402 1HG MET 52 HG2 MET 52 9.796 10.698 10.698
403 2HG MET 52 HG3 MET 52 10.386 9.924 9.924
404 1HE MET 52 HE3 MET 52 11.244 12.370 12.370
405 2HE MET 52 HE1 MET 52 10.170 13.771 13.771
406 3HE MET 52 HE2 MET 52 10.438 13.114 13.114
407 H PHE 53 HN PHE 53 9.416 6.222 6.222
408 HA PHE 53 HA PHE 53 12.017 5.988 5.988
409 1HB PHE 53 HB2 PHE 53 9.698 4.016 4.016
410 2HB PHE 53 HB3 PHE 53 11.306 3.389 3.389
411 HD1 PHE 53 HD2 PHE 53 13.143 4.636 4.636
412 HD2 PHE 53 HD1 PHE 53 9.049 3.943 3.943
413 HE1 PHE 53 HE2 PHE 53 13.650 4.736 4.736
414 HE2 PHE 53 HE1 PHE 53 9.555 4.042 4.042
415 HZ PHE 53 HZ PHE 53 11.850 4.437 4.437
416 H LYS 54 HN LYS 54 9.664 3.911 3.911
417 HA LYS 54 HA LYS 54 11.184 4.542 4.542
418 1HB LYS 54 HB2 LYS 54 11.466 2.178 2.178
419 2HB LYS 54 HB3 LYS 54 10.090 1.794 1.794
420 1HG LYS 54 HG2 LYS 54 12.290 1.293 1.293
421 2HG LYS 54 HG3 LYS 54 11.309 2.421 2.421
422 1HD LYS 54 HD2 LYS 54 13.050 3.789 3.789
423 2HD LYS 54 HD3 LYS 54 13.966 2.821 2.821
424 1HE LYS 54 HE2 LYS 54 11.770 4.690 4.690
425 2HE LYS 54 HE3 LYS 54 13.383 5.296 5.296
426 1HZ LYS 54 HZ2 LYS 54 13.006 2.948 2.948
427 2HZ LYS 54 HZ3 LYS 54 12.841 4.449 4.449
428 3HZ LYS 54 HZ1 LYS 54 14.264 3.988 3.988
429 H GLY 55 HN GLY 55 9.399 6.182 6.182
430 1HA GLY 55 HA1 GLY 55 6.996 4.899 4.899
431 2HA GLY 55 HA2 GLY 55 6.895 6.286 6.286
432 HA PRO 56 HA PRO 56 7.222 7.993 7.993
433 1HB PRO 56 HB2 PRO 56 5.142 9.754 9.754
434 2HB PRO 56 HB3 PRO 56 4.973 8.136 8.136
435 1HG PRO 56 HG2 PRO 56 4.107 9.173 9.173
436 2HG PRO 56 HG3 PRO 56 3.588 7.721 7.721
437 1HD PRO 56 HD2 PRO 56 5.412 7.872 7.872
438 2HD PRO 56 HD3 PRO 56 4.981 6.437 6.437
439 H GLU 57 HN GLU 57 7.249 10.450 10.450
440 HA GLU 57 HA GLU 57 9.212 11.533 11.533
441 1HB GLU 57 HB2 GLU 57 8.139 13.077 13.077
442 2HB GLU 57 HB3 GLU 57 9.788 12.938 12.938
443 1HG GLU 57 HG2 GLU 57 9.591 10.411 10.411
444 2HG GLU 57 HG3 GLU 57 8.185 10.919 10.919
445 H LYS 58 HN LYS 58 5.800 12.114 12.114
446 HA LYS 58 HA LYS 58 5.728 14.613 14.613
447 1HB LYS 58 HB2 LYS 58 4.357 13.759 13.759
448 2HB LYS 58 HB3 LYS 58 3.261 13.171 13.171
449 1HG LYS 58 HG2 LYS 58 2.428 15.263 15.263
450 2HG LYS 58 HG3 LYS 58 3.987 15.802 15.802
451 1HD LYS 58 HD2 LYS 58 3.323 15.589 15.589
452 2HD LYS 58 HD3 LYS 58 3.087 17.058 17.058
453 1HE LYS 58 HE2 LYS 58 5.718 16.279 16.279
454 2HE LYS 58 HE3 LYS 58 5.581 15.905 15.905
455 1HZ LYS 58 HZ3 LYS 58 4.400 18.385 18.385
456 2HZ LYS 58 HZ1 LYS 58 5.905 18.381 18.381
457 3HZ LYS 58 HZ2 LYS 58 5.685 18.042 18.042
458 H ASP 59 HN ASP 59 3.502 11.790 11.790
459 HA ASP 59 HA ASP 59 4.154 10.734 10.734
460 1HB ASP 59 HB2 ASP 59 4.405 12.751 12.751
461 2HB ASP 59 HB3 ASP 59 2.974 13.475 13.475
462 H ILE 60 HN ILE 60 2.053 10.030 10.030
463 HA ILE 60 HA ILE 60 -0.077 9.650 9.650
464 HB ILE 60 HB ILE 60 0.088 8.218 8.218
465 1HG1 ILE 60 HG12 ILE 60 2.386 8.209 8.209
466 2HG1 ILE 60 HG13 ILE 60 1.661 6.627 6.627
467 1HG2 ILE 60 HG21 ILE 60 -1.676 8.110 8.110
468 2HG2 ILE 60 HG22 ILE 60 -0.551 6.796 6.796
469 3HG2 ILE 60 HG23 ILE 60 -1.376 6.790 6.790
470 1HD1 ILE 60 HD13 ILE 60 1.188 8.006 8.006
471 2HD1 ILE 60 HD11 ILE 60 2.821 7.372 7.372
472 3HD1 ILE 60 HD12 ILE 60 1.418 6.276 6.276
473 H GLU 61 HN GLU 61 0.016 9.959 9.959
474 HA GLU 61 HA GLU 61 -1.068 11.277 11.277
475 1HB GLU 61 HB2 GLU 61 -1.040 12.867 12.867
476 2HB GLU 61 HB3 GLU 61 -2.593 13.077 13.077
477 1HG GLU 61 HG2 GLU 61 -0.892 13.213 13.213
478 2HG GLU 61 HG3 GLU 61 0.121 13.899 13.899
479 H PHE 62 HN PHE 62 -2.446 9.387 9.387
480 HA PHE 62 HA PHE 62 -4.877 9.128 9.128
481 1HB PHE 62 HB2 PHE 62 -4.565 10.390 10.390
482 2HB PHE 62 HB3 PHE 62 -5.671 9.032 9.032
483 HD1 PHE 62 HD1 PHE 62 -7.510 9.017 9.017
484 HD2 PHE 62 HD2 PHE 62 -5.402 12.470 12.470
485 HE1 PHE 62 HE1 PHE 62 -9.348 10.472 10.472
486 HE2 PHE 62 HE2 PHE 62 -7.240 13.925 13.925
487 HZ PHE 62 HZ PHE 62 -9.191 12.909 12.909
488 H ILE 63 HN ILE 63 -4.427 7.008 7.008
489 HA ILE 63 HA ILE 63 -3.832 5.170 5.170
490 HB ILE 63 HB ILE 63 -3.530 4.410 4.410
491 1HG1 ILE 63 HG12 ILE 63 -2.429 6.790 6.790
492 2HG1 ILE 63 HG13 ILE 63 -1.831 5.776 5.776
493 1HG2 ILE 63 HG21 ILE 63 -2.269 3.679 3.679
494 2HG2 ILE 63 HG22 ILE 63 -1.463 3.304 3.304
495 3HG2 ILE 63 HG23 ILE 63 -3.078 2.639 2.639
496 1HD1 ILE 63 HD12 ILE 63 -0.957 5.359 5.359
497 2HD1 ILE 63 HD13 ILE 63 -0.117 6.483 6.483
498 3HD1 ILE 63 HD11 ILE 63 -0.182 4.746 4.746
499 H TYR 64 HN TYR 64 -4.784 2.861 2.861
500 HA TYR 64 HA TYR 64 -7.539 3.218 3.218
501 1HB TYR 64 HB2 TYR 64 -6.313 1.730 1.730
502 2HB TYR 64 HB3 TYR 64 -7.965 1.453 1.453
503 HD1 TYR 64 HD1 TYR 64 -5.791 4.445 4.445
504 HD2 TYR 64 HD2 TYR 64 -9.571 2.525 2.525
505 HE1 TYR 64 HE1 TYR 64 -6.570 6.389 6.389
506 HE2 TYR 64 HE2 TYR 64 -10.337 4.477 4.477
507 HH TYR 64 HH TYR 64 -8.444 7.388 7.388
508 H THR 65 HN THR 65 -8.503 1.408 1.408
509 HA THR 65 HA THR 65 -7.130 -1.068 -1.068
510 HB THR 65 HB THR 65 -5.669 0.378 0.378
511 HG1 THR 65 HG1 THR 65 -6.359 -1.931 -1.931
512 1HG2 THR 65 HG22 THR 65 -8.357 0.971 0.971
513 2HG2 THR 65 HG23 THR 65 -6.924 0.847 0.847
514 3HG2 THR 65 HG21 THR 65 -6.974 2.062 2.062
515 H ALA 66 HN ALA 66 -8.207 -1.934 -1.934
516 HA ALA 66 HA ALA 66 -11.036 -1.896 -1.896
517 1HB ALA 66 HB1 ALA 66 -9.166 -3.922 -3.922
518 2HB ALA 66 HB2 ALA 66 -10.403 -3.816 -3.816
519 3HB ALA 66 HB3 ALA 66 -10.888 -4.108 -4.108
520 HA PRO 67 HA PRO 67 -12.050 0.261 0.261
521 1HB PRO 67 HB2 PRO 67 -14.595 -0.602 -0.602
522 2HB PRO 67 HB3 PRO 67 -14.210 0.608 0.608
523 1HG PRO 67 HG2 PRO 67 -14.940 -2.230 -2.230
524 2HG PRO 67 HG3 PRO 67 -14.969 -0.918 -0.918
525 1HD PRO 67 HD2 PRO 67 -13.001 -2.996 -2.996
526 2HD PRO 67 HD3 PRO 67 -12.970 -1.622 -1.622
527 H SER 68 HN SER 68 -13.685 -0.368 -0.368
528 HA SER 68 HA SER 68 -13.469 -1.225 -1.225
529 1HB SER 68 HB2 SER 68 -13.337 -3.540 -3.540
530 2HB SER 68 HB3 SER 68 -12.652 -3.876 -3.876
531 HG SER 68 HG SER 68 -15.312 -3.499 -3.499
532 H SER 69 HN SER 69 -11.811 -2.898 -2.898
533 HA SER 69 HA SER 69 -9.584 -1.468 -1.468
534 1HB SER 69 HB2 SER 69 -10.345 -3.222 -3.222
535 2HB SER 69 HB3 SER 69 -10.000 -4.468 -4.468
536 HG SER 69 HG SER 69 -7.953 -2.700 -2.700
537 H ALA 70 HN ALA 70 -10.048 -4.196 -4.196
538 HA ALA 70 HA ALA 70 -8.519 -3.455 -3.455
539 1HB ALA 70 HB2 ALA 70 -6.764 -4.108 -4.108
540 2HB ALA 70 HB3 ALA 70 -6.271 -4.779 -4.779
541 3HB ALA 70 HB1 ALA 70 -6.479 -3.023 -3.023
542 H VAL 71 HN VAL 71 -9.373 -4.895 -4.895
543 HA VAL 71 HA VAL 71 -9.379 -7.711 -7.711
544 HB VAL 71 HB VAL 71 -11.501 -7.950 -7.950
545 1HG1 VAL 71 HG13 VAL 71 -11.400 -4.923 -4.923
546 2HG1 VAL 71 HG11 VAL 71 -12.891 -5.896 -5.896
547 3HG1 VAL 71 HG12 VAL 71 -11.690 -6.079 -6.079
548 1HG2 VAL 71 HG22 VAL 71 -10.953 -5.976 -5.976
549 2HG2 VAL 71 HG23 VAL 71 -11.075 -7.749 -7.749
550 3HG2 VAL 71 HG21 VAL 71 -12.518 -6.782 -6.782
551 H CYS 72 HN CYS 72 -9.135 -5.368 -5.368
552 HA CYS 72 HA CYS 72 -7.635 -7.445 -7.445
553 1HB CYS 72 HB2 CYS 72 -8.944 -5.085 -5.085
554 2HB CYS 72 HB3 CYS 72 -8.361 -6.572 -6.572
555 H GLY 73 HN GLY 73 -7.100 -5.059 -5.059
556 1HA GLY 73 HA1 GLY 73 -4.606 -4.259 -4.259
557 2HA GLY 73 HA2 GLY 73 -5.748 -2.965 -2.965
558 H VAL 74 HN VAL 74 -4.297 -1.999 -1.999
559 HA VAL 74 HA VAL 74 -4.154 -3.532 -3.532
560 HB VAL 74 HB VAL 74 -2.276 -1.434 -1.434
561 1HG1 VAL 74 HG11 VAL 74 -2.227 -2.965 -2.965
562 2HG1 VAL 74 HG12 VAL 74 -0.864 -2.016 -2.016
563 3HG1 VAL 74 HG13 VAL 74 -2.392 -1.206 -1.206
564 1HG2 VAL 74 HG23 VAL 74 -2.342 -3.944 -3.944
565 2HG2 VAL 74 HG21 VAL 74 -0.802 -3.098 -3.098
566 3HG2 VAL 74 HG22 VAL 74 -1.436 -4.236 -4.236
567 H SER 75 HN SER 75 -5.775 -1.097 -1.097
568 HA SER 75 HA SER 75 -6.703 0.824 0.824
569 1HB SER 75 HB2 SER 75 -7.814 -1.396 -1.396
570 2HB SER 75 HB3 SER 75 -7.750 -0.143 -0.143
571 HG SER 75 HG SER 75 -9.731 -0.236 -0.236
572 H LEU 76 HN LEU 76 -4.882 2.217 2.217
573 HA LEU 76 HA LEU 76 -4.118 2.411 2.411
574 1HB LEU 76 HB2 LEU 76 -2.613 3.898 3.898
575 2HB LEU 76 HB3 LEU 76 -2.051 3.044 3.044
576 HG LEU 76 HG LEU 76 -2.860 0.942 0.942
577 1HD1 LEU 76 HD12 LEU 76 -3.061 3.022 3.022
578 2HD1 LEU 76 HD13 LEU 76 -1.458 2.334 2.334
579 3HD1 LEU 76 HD11 LEU 76 -2.902 1.294 1.294
580 1HD2 LEU 76 HD22 LEU 76 -0.399 2.122 2.122
581 2HD2 LEU 76 HD23 LEU 76 -0.765 0.418 0.418
582 3HD2 LEU 76 HD21 LEU 76 -0.192 1.495 1.495
583 H ASP 77 HN ASP 77 -4.649 4.187 4.187
584 HA ASP 77 HA ASP 77 -6.060 6.263 6.263
585 1HB ASP 77 HB2 ASP 77 -6.905 6.796 6.796
586 2HB ASP 77 HB3 ASP 77 -7.605 5.450 5.450
587 H VAL 78 HN VAL 78 -3.167 5.449 5.449
588 HA VAL 78 HA VAL 78 -1.378 6.659 6.659
589 HB VAL 78 HB VAL 78 -3.092 8.667 8.667
590 1HG1 VAL 78 HG13 VAL 78 -1.213 9.415 9.415
591 2HG1 VAL 78 HG11 VAL 78 -1.213 10.415 10.415
592 3HG1 VAL 78 HG12 VAL 78 -2.716 10.199 10.199
593 1HG2 VAL 78 HG23 VAL 78 -0.550 7.324 7.324
594 2HG2 VAL 78 HG21 VAL 78 -1.577 8.182 8.182
595 3HG2 VAL 78 HG22 VAL 78 -0.381 9.083 9.083
596 H GLY 79 HN GLY 79 -4.509 8.039 8.039
597 1HA GLY 79 HA1 GLY 79 -3.612 9.224 9.224
598 2HA GLY 79 HA2 GLY 79 -5.212 8.564 8.564
599 H GLY 80 HN GLY 80 -3.429 5.909 5.909
600 1HA GLY 80 HA1 GLY 80 -3.256 5.118 5.118
601 2HA GLY 80 HA2 GLY 80 -3.899 4.082 4.082
602 H LYS 81 HN LYS 81 -1.863 5.113 5.113
603 HA LYS 81 HA LYS 81 0.399 3.558 3.558
604 1HB LYS 81 HB2 LYS 81 0.621 3.742 3.742
605 2HB LYS 81 HB3 LYS 81 0.168 2.338 2.338
606 1HG LYS 81 HG2 LYS 81 -1.838 4.467 4.467
607 2HG LYS 81 HG3 LYS 81 -1.497 3.033 3.033
608 1HD LYS 81 HD2 LYS 81 -2.575 1.614 1.614
609 2HD LYS 81 HD3 LYS 81 -2.117 2.554 2.554
610 1HE LYS 81 HE2 LYS 81 -4.141 3.575 3.575
611 2HE LYS 81 HE3 LYS 81 -3.849 4.205 4.205
612 1HZ LYS 81 HZ3 LYS 81 -4.673 1.429 1.429
613 2HZ LYS 81 HZ1 LYS 81 -5.794 2.614 2.614
614 3HZ LYS 81 HZ2 LYS 81 -4.902 2.433 2.433
615 H LYS 82 HN LYS 82 0.541 5.540 5.540
616 HA LYS 82 HA LYS 82 1.297 7.962 7.962
617 1HB LYS 82 HB2 LYS 82 3.855 7.733 7.733
618 2HB LYS 82 HB3 LYS 82 2.984 7.250 7.250
619 1HG LYS 82 HG2 LYS 82 3.049 4.932 4.932
620 2HG LYS 82 HG3 LYS 82 4.652 5.629 5.629
621 1HD LYS 82 HD2 LYS 82 5.168 4.847 4.847
622 2HD LYS 82 HD3 LYS 82 3.866 5.787 5.787
623 1HE LYS 82 HE2 LYS 82 2.412 3.988 3.988
624 2HE LYS 82 HE3 LYS 82 3.009 3.298 3.298
625 1HZ LYS 82 HZ2 LYS 82 5.047 3.216 3.216
626 2HZ LYS 82 HZ3 LYS 82 3.702 2.596 2.596
627 3HZ LYS 82 HZ1 LYS 82 4.272 1.964 1.964
628 H GLU 83 HN GLU 83 3.369 5.698 5.698
629 HA GLU 83 HA GLU 83 2.180 6.677 6.677
630 1HB GLU 83 HB2 GLU 83 5.155 7.170 7.170
631 2HB GLU 83 HB3 GLU 83 4.176 7.669 7.669
632 1HG GLU 83 HG2 GLU 83 4.295 9.651 9.651
633 2HG GLU 83 HG3 GLU 83 2.755 8.990 8.990
634 H TYR 84 HN TYR 84 2.939 5.445 5.445
635 HA TYR 84 HA TYR 84 4.462 3.042 3.042
636 1HB TYR 84 HB2 TYR 84 2.710 1.822 1.822
637 2HB TYR 84 HB3 TYR 84 2.039 2.500 2.500
638 HD1 TYR 84 HD2 TYR 84 2.710 3.689 3.689
639 HD2 TYR 84 HD1 TYR 84 -0.038 3.491 3.491
640 HE1 TYR 84 HE2 TYR 84 0.978 4.952 4.952
641 HE2 TYR 84 HE1 TYR 84 -1.760 4.754 4.754
642 HH TYR 84 HH TYR 84 -1.916 4.931 4.931
643 H LEU 85 HN LEU 85 5.491 1.977 1.977
644 HA LEU 85 HA LEU 85 6.253 3.921 3.921
645 1HB LEU 85 HB2 LEU 85 7.868 2.145 2.145
646 2HB LEU 85 HB3 LEU 85 8.032 2.743 2.743
647 HG LEU 85 HG LEU 85 8.224 0.191 0.191
648 1HD1 LEU 85 HD12 LEU 85 7.735 1.669 1.669
649 2HD1 LEU 85 HD13 LEU 85 6.418 0.473 0.473
650 3HD1 LEU 85 HD11 LEU 85 8.111 -0.071 -0.071
651 1HD2 LEU 85 HD23 LEU 85 6.123 0.005 0.005
652 2HD2 LEU 85 HD21 LEU 85 6.140 -1.056 -1.056
653 3HD2 LEU 85 HD22 LEU 85 5.211 0.462 0.462
654 H ILE 86 HN ILE 86 3.588 2.059 2.059
655 HA ILE 86 HA ILE 86 2.604 0.526 0.526
656 HB ILE 86 HB ILE 86 2.050 3.347 3.347
657 1HG1 ILE 86 HG12 ILE 86 -0.221 2.613 2.613
658 2HG1 ILE 86 HG13 ILE 86 0.163 1.025 1.025
659 1HG2 ILE 86 HG21 ILE 86 1.741 1.861 1.861
660 2HG2 ILE 86 HG22 ILE 86 0.565 3.112 3.112
661 3HG2 ILE 86 HG23 ILE 86 2.286 3.529 3.529
662 1HD1 ILE 86 HD12 ILE 86 1.873 1.617 1.617
663 2HD1 ILE 86 HD13 ILE 86 0.158 1.816 1.816
664 3HD1 ILE 86 HD11 ILE 86 0.736 0.268 0.268
665 H ALA 87 HN ALA 87 3.852 -0.839 -0.839
666 HA ALA 87 HA ALA 87 4.857 0.321 0.321
667 1HB ALA 87 HB2 ALA 87 6.317 -0.898 -0.898
668 2HB ALA 87 HB3 ALA 87 6.261 -2.085 -2.085
669 3HB ALA 87 HB1 ALA 87 6.908 -0.453 -0.453
670 H GLY 88 HN GLY 88 3.469 -0.325 -0.325
671 1HA GLY 88 HA1 GLY 88 2.804 -3.189 -3.189
672 2HA GLY 88 HA2 GLY 88 1.515 -2.003 -2.003
673 H LYS 89 HN LYS 89 1.479 -3.473 -3.473
674 HA LYS 89 HA LYS 89 3.284 -2.980 -2.980
675 1HB LYS 89 HB2 LYS 89 0.307 -3.471 -3.471
676 2HB LYS 89 HB3 LYS 89 1.547 -3.775 -3.775
677 1HG LYS 89 HG2 LYS 89 2.653 -5.343 -5.343
678 2HG LYS 89 HG3 LYS 89 1.184 -5.186 -5.186
679 1HD LYS 89 HD2 LYS 89 0.209 -6.790 -6.790
680 2HD LYS 89 HD3 LYS 89 0.348 -5.756 -5.756
681 1HE LYS 89 HE2 LYS 89 1.750 -7.342 -7.342
682 2HE LYS 89 HE3 LYS 89 2.950 -6.720 -6.720
683 1HZ LYS 89 HZ1 LYS 89 1.388 -8.388 -8.388
684 2HZ LYS 89 HZ2 LYS 89 1.590 -9.181 -9.181
685 3HZ LYS 89 HZ3 LYS 89 2.892 -8.701 -8.701
686 H ALA 90 HN ALA 90 0.696 -0.962 -0.962
687 HA ALA 90 HA ALA 90 0.453 1.257 1.257
688 1HB ALA 90 HB2 ALA 90 2.945 1.032 1.032
689 2HB ALA 90 HB3 ALA 90 2.096 1.477 1.477
690 3HB ALA 90 HB1 ALA 90 2.021 2.551 2.551
691 H GLU 91 HN GLU 91 -0.372 2.848 2.848
692 HA GLU 91 HA GLU 91 -1.855 1.210 1.210
693 1HB GLU 91 HB2 GLU 91 -3.162 1.917 1.917
694 2HB GLU 91 HB3 GLU 91 -3.271 3.479 3.479
695 1HG GLU 91 HG2 GLU 91 -5.251 2.061 2.061
696 2HG GLU 91 HG3 GLU 91 -4.360 2.466 2.466
697 H GLY 92 HN GLY 92 -0.794 4.473 4.473
698 1HA GLY 92 HA1 GLY 92 0.324 5.309 5.309
699 2HA GLY 92 HA2 GLY 92 -1.367 5.732 5.732
700 H ASP 93 HN ASP 93 1.499 7.066 7.066
701 HA ASP 93 HA ASP 93 1.735 8.188 8.188
702 1HB ASP 93 HB2 ASP 93 1.365 9.809 9.809
703 2HB ASP 93 HB3 ASP 93 2.094 10.455 10.455
704 H GLY 94 HN GLY 94 0.598 9.477 9.477
705 1HA GLY 94 HA1 GLY 94 -0.996 10.939 10.939
706 2HA GLY 94 HA2 GLY 94 -1.756 10.960 10.960
707 H LYS 95 HN LYS 95 -1.233 7.725 7.725
708 HA LYS 95 HA LYS 95 -3.077 7.028 7.028
709 1HB LYS 95 HB2 LYS 95 -5.071 6.523 6.523
710 2HB LYS 95 HB3 LYS 95 -4.672 8.193 8.193
711 1HG LYS 95 HG2 LYS 95 -3.716 5.972 5.972
712 2HG LYS 95 HG3 LYS 95 -5.342 6.608 6.608
713 1HD LYS 95 HD2 LYS 95 -4.587 8.774 8.774
714 2HD LYS 95 HD3 LYS 95 -2.999 8.527 8.527
715 1HE LYS 95 HE2 LYS 95 -2.260 7.971 7.971
716 2HE LYS 95 HE3 LYS 95 -3.196 6.494 6.494
717 1HZ LYS 95 HZ3 LYS 95 -4.746 8.781 8.781
718 2HZ LYS 95 HZ1 LYS 95 -3.606 8.397 8.397
719 3HZ LYS 95 HZ2 LYS 95 -4.723 7.290 7.290
720 H MET 96 HN MET 96 -3.023 4.795 4.795
721 HA MET 96 HA MET 96 -1.905 3.190 3.190
722 1HB MET 96 HB2 MET 96 -0.395 2.215 2.215
723 2HB MET 96 HB3 MET 96 0.179 3.510 3.510
724 1HG MET 96 HG2 MET 96 0.102 5.046 5.046
725 2HG MET 96 HG3 MET 96 -1.495 4.533 4.533
726 1HE MET 96 HE1 MET 96 2.005 4.680 4.680
727 2HE MET 96 HE2 MET 96 1.599 5.001 5.001
728 3HE MET 96 HE3 MET 96 2.534 3.550 3.550
729 H HIS 97 HN HIS 97 -1.462 0.811 0.811
730 HA HIS 97 HA HIS 97 -4.026 0.376 0.376
731 1HB HIS 97 HB2 HIS 97 -3.199 -0.663 -0.663
732 2HB HIS 97 HB3 HIS 97 -3.224 -1.994 -1.994
733 HD1 HIS 97 HD1 HIS 97 -5.327 -3.041 -3.041
734 HD2 HIS 97 HD2 HIS 97 -5.931 0.820 0.820
735 HE1 HIS 97 HE1 HIS 97 -7.849 -2.656 -2.656
736 H ILE 98 HN ILE 98 -3.850 -0.627 -0.627
737 HA ILE 98 HA ILE 98 -1.465 -2.229 -2.229
738 HB ILE 98 HB ILE 98 -0.887 -1.106 -1.106
739 1HG1 ILE 98 HG12 ILE 98 -3.484 0.370 0.370
740 2HG1 ILE 98 HG13 ILE 98 -2.900 -0.509 -0.509
741 1HG2 ILE 98 HG22 ILE 98 -0.414 -0.070 -0.070
742 2HG2 ILE 98 HG23 ILE 98 -1.317 1.293 1.293
743 3HG2 ILE 98 HG21 ILE 98 0.156 0.694 0.694
744 1HD1 ILE 98 HD13 ILE 98 -1.092 1.691 1.691
745 2HD1 ILE 98 HD11 ILE 98 -2.732 2.247 2.247
746 3HD1 ILE 98 HD12 ILE 98 -1.790 1.304 1.304
747 H THR 99 HN THR 99 -1.806 -3.935 -3.935
748 HA THR 99 HA THR 99 -4.432 -4.063 -4.063
749 HB THR 99 HB THR 99 -4.263 -6.596 -6.596
750 HG1 THR 99 HG1 THR 99 -2.918 -6.565 -6.565
751 1HG2 THR 99 HG23 THR 99 -5.812 -4.312 -4.312
752 2HG2 THR 99 HG21 THR 99 -5.144 -4.843 -4.843
753 3HG2 THR 99 HG22 THR 99 -6.106 -5.971 -5.971
754 H LEU 100 HN LEU 100 -4.526 -6.115 -6.115
755 HA LEU 100 HA LEU 100 -2.378 -5.876 -5.876
756 1HB LEU 100 HB2 LEU 100 -3.659 -7.082 -7.082
757 2HB LEU 100 HB3 LEU 100 -4.899 -6.546 -6.546
758 HG LEU 100 HG LEU 100 -3.542 -9.204 -9.204
759 1HD1 LEU 100 HD12 LEU 100 -5.561 -8.479 -8.479
760 2HD1 LEU 100 HD13 LEU 100 -5.694 -10.054 -10.054
761 3HD1 LEU 100 HD11 LEU 100 -4.207 -9.633 -9.633
762 1HD2 LEU 100 HD22 LEU 100 -5.105 -8.032 -8.032
763 2HD2 LEU 100 HD23 LEU 100 -5.363 -9.753 -9.753
764 3HD2 LEU 100 HD21 LEU 100 -6.409 -8.516 -8.516
765 H CYS 101 HN CYS 101 -3.301 -8.346 -8.346
766 HA CYS 101 HA CYS 101 -1.266 -10.139 -10.139
767 1HB CYS 101 HB2 CYS 101 -1.927 -10.243 -10.243
768 2HB CYS 101 HB3 CYS 101 -2.229 -11.411 -11.411
769 H ASP 102 HN ASP 102 -1.350 -7.055 -7.055
770 HA ASP 102 HA ASP 102 1.057 -7.543 -7.543
771 1HB ASP 102 HB2 ASP 102 -0.998 -5.884 -5.884
772 2HB ASP 102 HB3 ASP 102 -0.057 -4.783 -4.783
773 H PHE 103 HN PHE 103 2.911 -5.785 -5.785
774 HA PHE 103 HA PHE 103 3.751 -5.948 -5.948
775 1HB PHE 103 HB2 PHE 103 5.366 -6.028 -6.028
776 2HB PHE 103 HB3 PHE 103 4.680 -4.604 -4.604
777 HD1 PHE 103 HD2 PHE 103 5.114 -4.453 -4.453
778 HD2 PHE 103 HD1 PHE 103 7.013 -3.746 -3.746
779 HE1 PHE 103 HE2 PHE 103 6.826 -3.019 -3.019
780 HE2 PHE 103 HE1 PHE 103 8.725 -2.310 -2.310
781 HZ PHE 103 HZ PHE 103 8.611 -1.965 -1.965
782 H ILE 104 HN ILE 104 3.144 -4.625 -4.625
783 HA ILE 104 HA ILE 104 3.169 -1.807 -1.807
784 HB ILE 104 HB ILE 104 0.718 -1.638 -1.638
785 1HG1 ILE 104 HG12 ILE 104 0.573 -4.283 -4.283
786 2HG1 ILE 104 HG13 ILE 104 0.420 -4.098 -4.098
787 1HG2 ILE 104 HG23 ILE 104 1.955 -1.183 -1.183
788 2HG2 ILE 104 HG21 ILE 104 0.696 -2.342 -2.342
789 3HG2 ILE 104 HG22 ILE 104 0.242 -0.830 -0.830
790 1HD1 ILE 104 HD13 ILE 104 -1.502 -2.466 -2.466
791 2HD1 ILE 104 HD11 ILE 104 -1.417 -2.951 -2.951
792 3HD1 ILE 104 HD12 ILE 104 -1.820 -4.155 -4.155
793 H VAL 105 HN VAL 105 3.633 -0.829 -0.829
794 HA VAL 105 HA VAL 105 2.915 -2.128 -2.128
795 HB VAL 105 HB VAL 105 5.588 -1.817 -1.817
796 1HG1 VAL 105 HG13 VAL 105 3.669 -3.978 -3.978
797 2HG1 VAL 105 HG11 VAL 105 5.293 -4.514 -4.514
798 3HG1 VAL 105 HG12 VAL 105 5.044 -3.799 -3.799
799 1HG2 VAL 105 HG23 VAL 105 5.275 -2.899 -2.899
800 2HG2 VAL 105 HG21 VAL 105 6.204 -1.472 -1.472
801 3HG2 VAL 105 HG22 VAL 105 6.737 -3.104 -3.104
802 HA PRO 106 HA PRO 106 3.104 2.000 2.000
803 1HB PRO 106 HB2 PRO 106 3.420 1.784 1.784
804 2HB PRO 106 HB3 PRO 106 1.879 1.569 1.569
805 1HG PRO 106 HG2 PRO 106 3.671 -0.481 -0.481
806 2HG PRO 106 HG3 PRO 106 1.975 -0.616 -0.616
807 1HD PRO 106 HD2 PRO 106 4.192 -1.651 -1.651
808 2HD PRO 106 HD3 PRO 106 2.504 -1.683 -1.683
809 H TRP 107 HN TRP 107 5.720 0.363 0.363
810 HA TRP 107 HA TRP 107 7.851 0.951 0.951
811 1HB TRP 107 HB2 TRP 107 6.858 3.213 3.213
812 2HB TRP 107 HB3 TRP 107 7.161 3.673 3.673
813 HD1 TRP 107 HD1 TRP 107 9.545 1.802 1.802
814 HE1 TRP 107 HE1 TRP 107 11.865 3.050 3.050
815 HE3 TRP 107 HE3 TRP 107 8.287 5.647 5.647
816 HZ2 TRP 107 HZ2 TRP 107 12.890 5.451 5.451
817 HZ3 TRP 107 HZ3 TRP 107 10.005 7.401 7.401
818 HH2 TRP 107 HH2 TRP 107 12.240 7.346 7.346
819 H ASP 108 HN ASP 108 6.541 2.613 2.613
820 HA ASP 108 HA ASP 108 8.792 1.947 1.947
821 1HB ASP 108 HB2 ASP 108 6.955 3.776 3.776
822 2HB ASP 108 HB3 ASP 108 6.020 2.502 2.502
823 H THR 109 HN THR 109 8.198 -0.470 -0.470
824 HA THR 109 HA THR 109 7.517 -2.095 -2.095
825 HB THR 109 HB THR 109 5.720 -3.289 -3.289
826 HG1 THR 109 HG1 THR 109 5.767 -0.485 -0.485
827 1HG2 THR 109 HG23 THR 109 5.247 -1.883 -1.883
828 2HG2 THR 109 HG21 THR 109 4.964 -0.518 -0.518
829 3HG2 THR 109 HG22 THR 109 3.936 -1.968 -1.968
830 H LEU 110 HN LEU 110 7.829 -2.174 -2.174
831 HA LEU 110 HA LEU 110 8.650 -4.141 -4.141
832 1HB LEU 110 HB2 LEU 110 10.979 -2.386 -2.386
833 2HB LEU 110 HB3 LEU 110 10.913 -3.476 -3.476
834 HG LEU 110 HG LEU 110 9.083 -1.087 -1.087
835 1HD1 LEU 110 HD12 LEU 110 11.593 -0.596 -0.596
836 2HD1 LEU 110 HD13 LEU 110 11.432 -1.204 -1.204
837 3HD1 LEU 110 HD11 LEU 110 10.482 0.205 0.205
838 1HD2 LEU 110 HD23 LEU 110 8.931 -3.322 -3.322
839 2HD2 LEU 110 HD21 LEU 110 7.969 -1.826 -1.826
840 3HD2 LEU 110 HD22 LEU 110 9.471 -1.951 -1.951
841 H SER 111 HN SER 111 11.685 -3.804 -3.804
842 HA SER 111 HA SER 111 11.704 -5.167 -5.167
843 1HB SER 111 HB2 SER 111 10.810 -7.064 -7.064
844 2HB SER 111 HB3 SER 111 11.983 -7.683 -7.683
845 HG SER 111 HG SER 111 10.357 -6.604 -6.604
846 H THR 112 HN THR 112 12.851 -5.548 -5.548
847 HA THR 112 HA THR 112 15.327 -4.606 -4.606
848 HB THR 112 HB THR 112 15.093 -7.172 -7.172
849 HG1 THR 112 HG1 THR 112 15.906 -5.173 -5.173
850 1HG2 THR 112 HG23 THR 112 17.107 -6.778 -6.778
851 2HG2 THR 112 HG21 THR 112 17.669 -7.473 -7.473
852 3HG2 THR 112 HG22 THR 112 16.390 -8.289 -8.289
853 H THR 113 HN THR 113 14.303 -7.960 -7.960
854 HA THR 113 HA THR 113 15.564 -7.974 -7.974
855 HB THR 113 HB THR 113 13.119 -9.335 -9.335
856 HG1 THR 113 HG1 THR 113 15.791 -10.025 -10.025
857 1HG2 THR 113 HG22 THR 113 13.010 -9.077 -9.077
858 2HG2 THR 113 HG23 THR 113 14.382 -10.210 -10.210
859 3HG2 THR 113 HG21 THR 113 12.819 -10.696 -10.696
860 H GLN 114 HN GLN 114 12.681 -6.207 -6.207
861 HA GLN 114 HA GLN 114 11.840 -5.820 -5.820
862 1HB GLN 114 HB2 GLN 114 10.920 -4.977 -4.977
863 2HB GLN 114 HB3 GLN 114 10.460 -3.933 -3.933
864 1HG GLN 114 HG2 GLN 114 8.719 -5.386 -5.386
865 2HG GLN 114 HG3 GLN 114 9.896 -6.404 -6.404
866 1HE2 GLN 114 HE22 GLN 114 10.555 -8.393 -8.393
867 2HE2 GLN 114 HE21 GLN 114 11.429 -7.460 -7.460
868 H LYS 115 HN LYS 115 13.754 -4.072 -4.072
869 HA LYS 115 HA LYS 115 13.841 -1.626 -1.626
870 1HB LYS 115 HB2 LYS 115 14.974 -2.783 -2.783
871 2HB LYS 115 HB3 LYS 115 16.081 -1.696 -1.696
872 1HG LYS 115 HG2 LYS 115 14.718 0.161 0.161
873 2HG LYS 115 HG3 LYS 115 13.237 -0.768 -0.768
874 1HD LYS 115 HD2 LYS 115 15.135 -0.593 -0.593
875 2HD LYS 115 HD3 LYS 115 13.484 -0.007 -0.007
876 1HE LYS 115 HE2 LYS 115 12.874 -2.525 -2.525
877 2HE LYS 115 HE3 LYS 115 14.459 -2.878 -2.878
878 1HZ LYS 115 HZ1 LYS 115 13.728 -1.491 -1.491
879 2HZ LYS 115 HZ2 LYS 115 12.209 -1.595 -1.595
880 3HZ LYS 115 HZ3 LYS 115 13.011 -2.950 -2.950
881 H LYS 116 HN LYS 116 16.028 -4.499 -4.499
882 HA LYS 116 HA LYS 116 18.017 -3.425 -3.425
883 1HB LYS 116 HB2 LYS 116 18.973 -5.565 -5.565
884 2HB LYS 116 HB3 LYS 116 18.143 -5.416 -5.416
885 1HG LYS 116 HG2 LYS 116 17.117 -7.380 -7.380
886 2HG LYS 116 HG3 LYS 116 16.148 -6.459 -6.459
887 1HD LYS 116 HD2 LYS 116 18.847 -7.259 -7.259
888 2HD LYS 116 HD3 LYS 116 17.744 -8.588 -8.588
889 1HE LYS 116 HE2 LYS 116 16.671 -8.133 -8.133
890 2HE LYS 116 HE3 LYS 116 16.220 -6.556 -6.556
891 1HZ LYS 116 HZ3 LYS 116 18.875 -7.041 -7.041
892 2HZ LYS 116 HZ1 LYS 116 17.606 -6.629 -6.629
893 3HZ LYS 116 HZ2 LYS 116 18.119 -5.610 -5.610
894 H SER 117 HN SER 117 14.787 -4.468 -4.468
895 HA SER 117 HA SER 117 15.474 -4.907 -4.907
896 1HB SER 117 HB2 SER 117 13.762 -6.287 -6.287
897 2HB SER 117 HB3 SER 117 12.645 -5.244 -5.244
898 HG SER 117 HG SER 117 13.613 -6.044 -6.044
899 H LEU 118 HN LEU 118 14.097 -2.624 -2.624
900 HA LEU 118 HA LEU 118 12.665 -1.202 -1.202
901 1HB LEU 118 HB2 LEU 118 11.321 -0.827 -0.827
902 2HB LEU 118 HB3 LEU 118 12.484 -1.459 -1.459
903 HG LEU 118 HG LEU 118 13.417 1.116 1.116
904 1HD1 LEU 118 HD11 LEU 118 10.679 1.043 1.043
905 2HD1 LEU 118 HD12 LEU 118 10.812 1.790 1.790
906 3HD1 LEU 118 HD13 LEU 118 11.693 2.488 2.488
907 1HD2 LEU 118 HD21 LEU 118 12.411 -0.300 -0.300
908 2HD2 LEU 118 HD22 LEU 118 13.919 0.611 0.611
909 3HD2 LEU 118 HD23 LEU 118 12.400 1.478 1.478
910 H ASN 119 HN ASN 119 15.803 -1.379 -1.379
911 HA ASN 119 HA ASN 119 16.446 1.346 1.346
912 1HB ASN 119 HB2 ASN 119 18.816 0.517 0.517
913 2HB ASN 119 HB3 ASN 119 17.743 -0.132 -0.132
914 1HD2 ASN 119 HD21 ASN 119 19.702 -1.614 -1.614
915 2HD2 ASN 119 HD22 ASN 119 19.603 -3.052 -3.052
916 H HIS 120 HN HIS 120 16.212 -1.419 -1.419
917 HA HIS 120 HA HIS 120 17.867 -0.116 -0.116
918 1HB HIS 120 HB2 HIS 120 17.796 -2.205 -2.205
919 2HB HIS 120 HB3 HIS 120 18.241 -2.503 -2.503
920 HD1 HIS 120 HD1 HIS 120 14.835 -2.295 -2.295
921 HD2 HIS 120 HD2 HIS 120 17.003 -4.786 -4.786
922 HE1 HIS 120 HE1 HIS 120 13.307 -4.265 -4.265
923 H ARG 121 HN ARG 121 16.913 -0.286 -0.286
924 HA ARG 121 HA ARG 121 14.989 1.449 1.449
925 1HB ARG 121 HB2 ARG 121 15.972 -0.862 -0.862
926 2HB ARG 121 HB3 ARG 121 14.359 -0.355 -0.355
927 1HG ARG 121 HG2 ARG 121 16.458 0.789 0.789
928 2HG ARG 121 HG3 ARG 121 15.062 1.763 1.763
929 1HD ARG 121 HD2 ARG 121 16.176 2.881 2.881
930 2HD ARG 121 HD3 ARG 121 17.049 1.453 1.453
931 HE ARG 121 HE ARG 121 17.991 2.283 2.283
932 1HH1 ARG 121 HH22 ARG 121 18.153 3.164 3.164
933 2HH1 ARG 121 HH21 ARG 121 19.691 3.948 3.948
934 1HH2 ARG 121 HH12 ARG 121 20.020 3.315 3.315
935 2HH2 ARG 121 HH11 ARG 121 20.761 4.033 4.033
936 H TYR 122 HN TYR 122 13.929 -1.866 -1.866
937 HA TYR 122 HA TYR 122 11.911 -1.984 -1.984
938 1HB TYR 122 HB2 TYR 122 10.040 -1.770 -1.770
939 2HB TYR 122 HB3 TYR 122 11.016 -0.317 -0.317
940 HD1 TYR 122 HD1 TYR 122 12.467 0.155 0.155
941 HD2 TYR 122 HD2 TYR 122 9.994 -3.334 -3.334
942 HE1 TYR 122 HE1 TYR 122 12.783 -0.165 -0.165
943 HE2 TYR 122 HE2 TYR 122 10.318 -3.642 -3.642
944 HH TYR 122 HH TYR 122 12.547 -2.637 -2.637
945 H GLN 123 HN GLN 123 14.216 -3.476 -3.476
946 HA GLN 123 HA GLN 123 13.460 -5.978 -5.978
947 1HB GLN 123 HB2 GLN 123 11.574 -5.758 -5.758
948 2HB GLN 123 HB3 GLN 123 12.647 -5.241 -5.241
949 1HG GLN 123 HG2 GLN 123 13.737 -7.693 -7.693
950 2HG GLN 123 HG3 GLN 123 12.005 -7.951 -7.951
951 1HE2 GLN 123 HE22 GLN 123 11.706 -7.819 -7.819
952 2HE2 GLN 123 HE21 GLN 123 10.909 -7.758 -7.758
953 H MET 124 HN MET 124 15.808 -4.749 -4.749
954 HA MET 124 HA MET 124 17.461 -4.931 -4.931
955 1HB MET 124 HB2 MET 124 17.597 -4.037 -4.037
956 2HB MET 124 HB3 MET 124 18.978 -5.072 -5.072
957 1HG MET 124 HG2 MET 124 18.455 -3.160 -3.160
958 2HG MET 124 HG3 MET 124 18.807 -2.372 -2.372
959 1HE MET 124 HE2 MET 124 20.591 -1.515 -1.515
960 2HE MET 124 HE3 MET 124 22.118 -2.361 -2.361
961 3HE MET 124 HE1 MET 124 21.850 -1.631 -1.631
962 H GLY 125 HN GLY 125 16.322 -7.341 -7.341
963 1HA GLY 125 HA1 GLY 125 16.738 -9.544 -9.544
964 2HA GLY 125 HA2 GLY 125 18.434 -9.164 -9.164
965 H CYS 126 HN CYS 126 16.058 -8.174 -8.174
966 HA CYS 126 HA CYS 126 17.434 -9.399 -9.399
967 1HB CYS 126 HB2 CYS 126 15.872 -8.511 -8.511
968 2HB CYS 126 HB3 CYS 126 15.629 -7.508 -7.508
969 H GLU 127 HN GLU 127 15.599 -10.854 -10.854
970 HA GLU 127 HA GLU 127 14.157 -12.756 -12.756
971 1HB GLU 127 HB2 GLU 127 16.438 -13.434 -13.434
972 2HB GLU 127 HB3 GLU 127 16.916 -13.776 -13.776
973 1HG GLU 127 HG2 GLU 127 16.224 -15.889 -15.889
974 2HG GLU 127 HG3 GLU 127 14.845 -15.342 -15.342
Start of MODEL 46
1 H CYS 1 HN CYS 1 -11.556 -9.450 -9.450
2 HA CYS 1 HA CYS 1 -11.122 -12.012 -12.012
3 1HB CYS 1 HB2 CYS 1 -8.955 -11.867 -11.867
4 2HB CYS 1 HB3 CYS 1 -10.215 -11.161 -11.161
5 H SER 2 HN SER 2 -8.316 -12.082 -12.082
6 HA SER 2 HA SER 2 -7.700 -10.394 -10.394
7 1HB SER 2 HB2 SER 2 -9.395 -12.734 -12.734
8 2HB SER 2 HB3 SER 2 -7.956 -12.560 -12.560
9 HG SER 2 HG SER 2 -9.839 -11.397 -11.397
10 H CYS 3 HN CYS 3 -6.267 -11.278 -11.278
11 HA CYS 3 HA CYS 3 -4.891 -13.645 -13.645
12 1HB CYS 3 HB2 CYS 3 -3.541 -11.199 -11.199
13 2HB CYS 3 HB3 CYS 3 -3.452 -12.859 -12.859
14 H SER 4 HN SER 4 -2.105 -12.856 -12.856
15 HA SER 4 HA SER 4 -1.808 -11.652 -11.652
16 1HB SER 4 HB2 SER 4 -0.498 -13.438 -13.438
17 2HB SER 4 HB3 SER 4 -1.919 -14.199 -14.199
18 HG SER 4 HG SER 4 0.774 -14.393 -14.393
19 HA PRO 5 HA PRO 5 1.362 -9.889 -9.889
20 1HB PRO 5 HB2 PRO 5 1.990 -7.811 -7.811
21 2HB PRO 5 HB3 PRO 5 0.697 -7.738 -7.738
22 1HG PRO 5 HG2 PRO 5 0.510 -8.044 -8.044
23 2HG PRO 5 HG3 PRO 5 -0.731 -7.548 -7.548
24 1HD PRO 5 HD2 PRO 5 -0.470 -10.120 -10.120
25 2HD PRO 5 HD3 PRO 5 -1.641 -9.660 -9.660
26 H VAL 6 HN VAL 6 2.453 -12.004 -12.004
27 HA VAL 6 HA VAL 6 4.328 -11.868 -11.868
28 HB VAL 6 HB VAL 6 3.101 -13.927 -13.927
29 1HG1 VAL 6 HG11 VAL 6 4.194 -13.239 -13.239
30 2HG1 VAL 6 HG12 VAL 6 4.849 -14.821 -14.821
31 3HG1 VAL 6 HG13 VAL 6 3.088 -14.570 -14.570
32 1HG2 VAL 6 HG23 VAL 6 6.007 -13.673 -13.673
33 2HG2 VAL 6 HG21 VAL 6 4.783 -14.648 -14.648
34 3HG2 VAL 6 HG22 VAL 6 5.491 -15.237 -15.237
35 H HIS 7 HN HIS 7 6.110 -13.484 -13.484
36 HA HIS 7 HA HIS 7 8.147 -12.895 -12.895
37 1HB HIS 7 HB2 HIS 7 7.723 -11.399 -11.399
38 2HB HIS 7 HB3 HIS 7 7.332 -13.105 -13.105
39 HD1 HIS 7 HD1 HIS 7 5.077 -13.601 -13.601
40 HD2 HIS 7 HD2 HIS 7 5.228 -9.817 -9.817
41 HE1 HIS 7 HE1 HIS 7 2.757 -12.580 -12.580
42 HA PRO 8 HA PRO 8 8.771 -8.965 -8.965
43 1HB PRO 8 HB2 PRO 8 11.088 -9.638 -9.638
44 2HB PRO 8 HB3 PRO 8 9.502 -9.843 -9.843
45 1HG PRO 8 HG2 PRO 8 11.306 -11.896 -11.896
46 2HG PRO 8 HG3 PRO 8 9.942 -12.106 -12.106
47 1HD PRO 8 HD2 PRO 8 10.000 -12.648 -12.648
48 2HD PRO 8 HD3 PRO 8 8.606 -12.747 -12.747
49 H GLN 9 HN GLN 9 10.083 -10.490 -10.490
50 HA GLN 9 HA GLN 9 11.706 -8.142 -8.142
51 1HB GLN 9 HB2 GLN 9 13.406 -9.676 -9.676
52 2HB GLN 9 HB3 GLN 9 12.607 -11.032 -11.032
53 1HG GLN 9 HG2 GLN 9 14.582 -10.237 -10.237
54 2HG GLN 9 HG3 GLN 9 13.095 -10.127 -10.127
55 1HE2 GLN 9 HE22 GLN 9 14.431 -6.590 -6.590
56 2HE2 GLN 9 HE21 GLN 9 14.353 -8.069 -8.069
57 H GLN 10 HN GLN 10 10.036 -11.097 -11.097
58 HA GLN 10 HA GLN 10 10.226 -10.438 -10.438
59 1HB GLN 10 HB2 GLN 10 9.360 -12.515 -12.515
60 2HB GLN 10 HB3 GLN 10 9.104 -12.520 -12.520
61 1HG GLN 10 HG2 GLN 10 6.918 -12.847 -12.847
62 2HG GLN 10 HG3 GLN 10 6.937 -11.103 -11.103
63 1HE2 GLN 10 HE22 GLN 10 5.418 -11.668 -11.668
64 2HE2 GLN 10 HE21 GLN 10 5.072 -11.824 -11.824
65 H ALA 11 HN ALA 11 8.591 -8.858 -8.858
66 HA ALA 11 HA ALA 11 6.283 -8.076 -8.076
67 1HB ALA 11 HB1 ALA 11 7.256 -7.905 -7.905
68 2HB ALA 11 HB2 ALA 11 6.453 -6.417 -6.417
69 3HB ALA 11 HB3 ALA 11 5.591 -7.972 -7.972
70 H PHE 12 HN PHE 12 9.536 -6.867 -6.867
71 HA PHE 12 HA PHE 12 8.934 -4.297 -4.297
72 1HB PHE 12 HB2 PHE 12 11.420 -5.606 -5.606
73 2HB PHE 12 HB3 PHE 12 11.389 -3.942 -3.942
74 HD1 PHE 12 HD1 PHE 12 9.005 -6.013 -6.013
75 HD2 PHE 12 HD2 PHE 12 11.400 -2.515 -2.515
76 HE1 PHE 12 HE1 PHE 12 8.146 -5.295 -5.295
77 HE2 PHE 12 HE2 PHE 12 10.541 -1.798 -1.798
78 HZ PHE 12 HZ PHE 12 8.924 -3.196 -3.196
79 H CYS 13 HN CYS 13 9.496 -7.283 -7.283
80 HA CYS 13 HA CYS 13 11.284 -6.245 -6.245
81 1HB CYS 13 HB2 CYS 13 10.979 -8.932 -8.932
82 2HB CYS 13 HB3 CYS 13 11.347 -8.879 -8.879
83 H ASN 14 HN ASN 14 8.068 -7.016 -7.016
84 HA ASN 14 HA ASN 14 7.383 -7.750 -7.750
85 1HB ASN 14 HB2 ASN 14 6.427 -8.592 -8.592
86 2HB ASN 14 HB3 ASN 14 5.149 -7.559 -7.559
87 1HD2 ASN 14 HD22 ASN 14 5.973 -11.226 -11.226
88 2HD2 ASN 14 HD21 ASN 14 6.945 -10.490 -10.490
89 H ALA 15 HN ALA 15 6.767 -5.379 -5.379
90 HA ALA 15 HA ALA 15 4.776 -3.877 -3.877
91 1HB ALA 15 HB2 ALA 15 7.097 -3.131 -3.131
92 2HB ALA 15 HB3 ALA 15 5.756 -2.025 -2.025
93 3HB ALA 15 HB1 ALA 15 5.434 -3.552 -3.552
94 H ASP 16 HN ASP 16 5.204 -1.435 -1.435
95 HA ASP 16 HA ASP 16 7.539 -1.229 -1.229
96 1HB ASP 16 HB2 ASP 16 4.766 -1.667 -1.667
97 2HB ASP 16 HB3 ASP 16 5.689 -0.407 -0.407
98 H VAL 17 HN VAL 17 5.869 0.016 0.016
99 HA VAL 17 HA VAL 17 6.413 2.720 2.720
100 HB VAL 17 HB VAL 17 4.303 2.427 2.427
101 1HG1 VAL 17 HG13 VAL 17 3.472 0.630 0.630
102 2HG1 VAL 17 HG11 VAL 17 2.891 2.003 2.003
103 3HG1 VAL 17 HG12 VAL 17 2.281 1.762 1.762
104 1HG2 VAL 17 HG21 VAL 17 4.960 4.582 4.582
105 2HG2 VAL 17 HG22 VAL 17 3.239 4.395 4.395
106 3HG2 VAL 17 HG23 VAL 17 3.785 4.123 4.123
107 H VAL 18 HN VAL 18 7.770 2.328 2.328
108 HA VAL 18 HA VAL 18 6.311 1.873 1.873
109 HB VAL 18 HB VAL 18 9.269 2.159 2.159
110 1HG1 VAL 18 HG11 VAL 18 7.227 0.975 0.975
111 2HG1 VAL 18 HG12 VAL 18 8.536 -0.175 -0.175
112 3HG1 VAL 18 HG13 VAL 18 8.916 1.404 1.404
113 1HG2 VAL 18 HG21 VAL 18 8.725 0.863 0.863
114 2HG2 VAL 18 HG22 VAL 18 9.620 -0.087 -0.087
115 3HG2 VAL 18 HG23 VAL 18 7.867 -0.326 -0.326
116 H ILE 19 HN ILE 19 5.668 3.582 3.582
117 HA ILE 19 HA ILE 19 7.394 5.909 5.909
118 HB ILE 19 HB ILE 19 5.678 7.472 7.472
119 1HG1 ILE 19 HG12 ILE 19 3.910 5.064 5.064
120 2HG1 ILE 19 HG13 ILE 19 3.627 6.672 6.672
121 1HG2 ILE 19 HG22 ILE 19 7.108 6.287 6.287
122 2HG2 ILE 19 HG23 ILE 19 5.605 5.441 5.441
123 3HG2 ILE 19 HG21 ILE 19 5.688 7.216 7.216
124 1HD1 ILE 19 HD11 ILE 19 3.689 7.435 7.435
125 2HD1 ILE 19 HD12 ILE 19 3.418 5.710 5.710
126 3HD1 ILE 19 HD13 ILE 19 2.233 6.621 6.621
127 H ARG 20 HN ARG 20 7.605 6.511 6.511
128 HA ARG 20 HA ARG 20 6.010 5.194 5.194
129 1HB ARG 20 HB2 ARG 20 8.469 5.816 5.816
130 2HB ARG 20 HB3 ARG 20 7.985 7.495 7.495
131 1HG ARG 20 HG2 ARG 20 6.462 6.783 6.783
132 2HG ARG 20 HG3 ARG 20 7.225 5.207 5.207
133 1HD ARG 20 HD2 ARG 20 8.293 6.713 6.713
134 2HD ARG 20 HD3 ARG 20 9.428 6.174 6.174
135 HE ARG 20 HE ARG 20 8.716 8.476 8.476
136 1HH1 ARG 20 HH22 ARG 20 9.232 7.856 7.856
137 2HH1 ARG 20 HH21 ARG 20 9.717 9.482 9.482
138 1HH2 ARG 20 HH12 ARG 20 9.355 10.620 10.620
139 2HH2 ARG 20 HH11 ARG 20 9.787 11.064 11.064
140 H THR 21 HN THR 21 4.314 6.722 6.722
141 HA THR 21 HA THR 21 3.789 9.308 9.308
142 HB THR 21 HB THR 21 3.040 8.546 8.546
143 HG1 THR 21 HG1 THR 21 1.668 10.010 10.010
144 1HG2 THR 21 HG22 THR 21 2.591 6.091 6.091
145 2HG2 THR 21 HG23 THR 21 0.988 6.746 6.746
146 3HG2 THR 21 HG21 THR 21 1.539 6.747 6.747
147 H LYS 22 HN LYS 22 1.547 9.892 9.892
148 HA LYS 22 HA LYS 22 1.023 8.021 8.021
149 1HB LYS 22 HB2 LYS 22 0.788 9.891 9.891
150 2HB LYS 22 HB3 LYS 22 2.377 9.924 9.924
151 1HG LYS 22 HG2 LYS 22 1.686 11.670 11.670
152 2HG LYS 22 HG3 LYS 22 0.017 11.544 11.544
153 1HD LYS 22 HD2 LYS 22 2.384 12.648 12.648
154 2HD LYS 22 HD3 LYS 22 0.888 13.461 13.461
155 1HE LYS 22 HE2 LYS 22 -0.301 11.661 11.661
156 2HE LYS 22 HE3 LYS 22 1.297 11.247 11.247
157 1HZ LYS 22 HZ2 LYS 22 0.914 14.032 14.032
158 2HZ LYS 22 HZ3 LYS 22 -0.286 13.286 13.286
159 3HZ LYS 22 HZ1 LYS 22 1.271 13.020 13.020
160 H ALA 23 HN ALA 23 -1.012 7.252 7.252
161 HA ALA 23 HA ALA 23 -2.946 8.711 8.711
162 1HB ALA 23 HB1 ALA 23 -2.943 5.936 5.936
163 2HB ALA 23 HB2 ALA 23 -4.261 6.598 6.598
164 3HB ALA 23 HB3 ALA 23 -2.651 6.335 6.335
165 H VAL 24 HN VAL 24 -3.660 10.451 10.451
166 HA VAL 24 HA VAL 24 -4.584 9.819 9.819
167 HB VAL 24 HB VAL 24 -4.704 12.335 12.335
168 1HG1 VAL 24 HG12 VAL 24 -2.096 10.871 10.871
169 2HG1 VAL 24 HG13 VAL 24 -2.153 12.562 12.562
170 3HG1 VAL 24 HG11 VAL 24 -2.895 11.277 11.277
171 1HG2 VAL 24 HG23 VAL 24 -4.625 12.479 12.479
172 2HG2 VAL 24 HG21 VAL 24 -3.861 13.738 13.738
173 3HG2 VAL 24 HG22 VAL 24 -2.864 12.463 12.463
174 H SER 25 HN SER 25 -5.587 10.903 10.903
175 HA SER 25 HA SER 25 -8.325 10.898 10.898
176 1HB SER 25 HB2 SER 25 -8.112 13.058 13.058
177 2HB SER 25 HB3 SER 25 -6.899 12.610 12.610
178 HG SER 25 HG SER 25 -9.268 13.152 13.152
179 H GLU 26 HN GLU 26 -9.978 10.193 10.193
180 HA GLU 26 HA GLU 26 -8.856 8.481 8.481
181 1HB GLU 26 HB2 GLU 26 -10.411 7.429 7.429
182 2HB GLU 26 HB3 GLU 26 -10.448 6.579 6.579
183 1HG GLU 26 HG2 GLU 26 -8.515 5.569 5.569
184 2HG GLU 26 HG3 GLU 26 -7.717 7.105 7.105
185 H LYS 27 HN LYS 27 -11.010 7.209 7.209
186 HA LYS 27 HA LYS 27 -13.255 9.049 9.049
187 1HB LYS 27 HB2 LYS 27 -11.698 9.919 9.919
188 2HB LYS 27 HB3 LYS 27 -11.746 8.369 8.369
189 1HG LYS 27 HG2 LYS 27 -13.892 8.694 8.694
190 2HG LYS 27 HG3 LYS 27 -14.415 9.567 9.567
191 1HD LYS 27 HD2 LYS 27 -14.255 10.990 10.990
192 2HD LYS 27 HD3 LYS 27 -13.348 11.610 11.610
193 1HE LYS 27 HE2 LYS 27 -11.265 10.528 10.528
194 2HE LYS 27 HE3 LYS 27 -12.184 9.979 9.979
195 1HZ LYS 27 HZ1 LYS 27 -12.775 12.554 12.554
196 2HZ LYS 27 HZ2 LYS 27 -11.268 12.621 12.621
197 3HZ LYS 27 HZ3 LYS 27 -11.517 11.926 11.926
198 H GLU 28 HN GLU 28 -14.928 7.739 7.739
199 HA GLU 28 HA GLU 28 -14.748 4.969 4.969
200 1HB GLU 28 HB2 GLU 28 -15.949 6.018 6.018
201 2HB GLU 28 HB3 GLU 28 -17.169 6.620 6.620
202 1HG GLU 28 HG2 GLU 28 -17.365 4.099 4.099
203 2HG GLU 28 HG3 GLU 28 -16.551 3.743 3.743
204 H VAL 29 HN VAL 29 -14.619 4.510 4.510
205 HA VAL 29 HA VAL 29 -16.888 5.467 5.467
206 HB VAL 29 HB VAL 29 -15.454 5.181 5.181
207 1HG1 VAL 29 HG12 VAL 29 -14.617 6.938 6.938
208 2HG1 VAL 29 HG13 VAL 29 -13.543 6.842 6.842
209 3HG1 VAL 29 HG11 VAL 29 -15.235 7.364 7.364
210 1HG2 VAL 29 HG23 VAL 29 -13.320 4.322 4.322
211 2HG2 VAL 29 HG21 VAL 29 -14.090 3.305 3.305
212 3HG2 VAL 29 HG22 VAL 29 -13.046 4.663 4.663
213 H ASP 30 HN ASP 30 -18.387 3.972 3.972
214 HA ASP 30 HA ASP 30 -18.017 1.313 1.313
215 1HB ASP 30 HB2 ASP 30 -20.120 2.919 2.919
216 2HB ASP 30 HB3 ASP 30 -20.180 1.185 1.185
217 H SER 31 HN SER 31 -18.133 -0.612 -0.612
218 HA SER 31 HA SER 31 -17.317 0.031 0.031
219 1HB SER 31 HB2 SER 31 -15.184 -0.426 -0.426
220 2HB SER 31 HB3 SER 31 -15.775 -1.562 -1.562
221 HG SER 31 HG SER 31 -14.660 -2.217 -2.217
222 H GLY 32 HN GLY 32 -19.819 -0.952 -0.952
223 1HA GLY 32 HA1 GLY 32 -21.496 -2.342 -2.342
224 2HA GLY 32 HA2 GLY 32 -20.452 -3.066 -3.066
225 H ASN 33 HN ASN 33 -21.904 -4.934 -4.934
226 HA ASN 33 HA ASN 33 -20.773 -5.845 -5.845
227 1HB ASN 33 HB2 ASN 33 -22.570 -7.502 -7.502
228 2HB ASN 33 HB3 ASN 33 -22.473 -7.533 -7.533
229 1HD2 ASN 33 HD22 ASN 33 -25.504 -5.658 -5.658
230 2HD2 ASN 33 HD21 ASN 33 -24.738 -7.145 -7.145
231 H ASP 34 HN ASP 34 -19.975 -8.246 -8.246
232 HA ASP 34 HA ASP 34 -18.165 -8.608 -8.608
233 1HB ASP 34 HB2 ASP 34 -17.670 -8.725 -8.725
234 2HB ASP 34 HB3 ASP 34 -18.226 -10.377 -10.377
235 H ILE 35 HN ILE 35 -17.770 -11.490 -11.490
236 HA ILE 35 HA ILE 35 -20.060 -12.447 -12.447
237 HB ILE 35 HB ILE 35 -17.519 -13.823 -13.823
238 1HG1 ILE 35 HG12 ILE 35 -16.964 -13.547 -13.547
239 2HG1 ILE 35 HG13 ILE 35 -18.278 -12.390 -12.390
240 1HG2 ILE 35 HG23 ILE 35 -19.945 -14.778 -14.778
241 2HG2 ILE 35 HG21 ILE 35 -18.408 -15.195 -15.195
242 3HG2 ILE 35 HG22 ILE 35 -18.693 -15.674 -15.674
243 1HD1 ILE 35 HD13 ILE 35 -16.202 -12.088 -12.088
244 2HD1 ILE 35 HD11 ILE 35 -15.816 -11.563 -11.563
245 3HD1 ILE 35 HD12 ILE 35 -17.193 -10.838 -10.838
246 H TYR 36 HN TYR 36 -19.569 -11.805 -11.805
247 HA TYR 36 HA TYR 36 -20.985 -14.228 -14.228
248 1HB TYR 36 HB2 TYR 36 -18.661 -13.102 -13.102
249 2HB TYR 36 HB3 TYR 36 -19.778 -12.078 -12.078
250 HD1 TYR 36 HD1 TYR 36 -18.985 -15.687 -15.687
251 HD2 TYR 36 HD2 TYR 36 -20.625 -12.779 -12.779
252 HE1 TYR 36 HE1 TYR 36 -19.200 -17.462 -17.462
253 HE2 TYR 36 HE2 TYR 36 -20.834 -14.564 -14.564
254 HH TYR 36 HH TYR 36 -20.708 -16.691 -16.691
255 H GLY 37 HN GLY 37 -21.608 -11.139 -11.139
256 1HA GLY 37 HA1 GLY 37 -23.655 -10.098 -10.098
257 2HA GLY 37 HA2 GLY 37 -24.149 -11.072 -11.072
258 H ASN 38 HN ASN 38 -21.167 -10.213 -10.213
259 HA ASN 38 HA ASN 38 -22.204 -8.190 -8.190
260 1HB ASN 38 HB2 ASN 38 -19.716 -8.108 -8.108
261 2HB ASN 38 HB3 ASN 38 -20.563 -9.625 -9.625
262 1HD2 ASN 38 HD22 ASN 38 -17.234 -10.332 -10.332
263 2HD2 ASN 38 HD21 ASN 38 -17.859 -9.571 -9.571
264 HA PRO 39 HA PRO 39 -20.769 -4.764 -4.764
265 1HB PRO 39 HB2 PRO 39 -20.385 -2.866 -2.866
266 2HB PRO 39 HB3 PRO 39 -21.963 -3.270 -3.270
267 1HG PRO 39 HG2 PRO 39 -20.790 -3.996 -3.996
268 2HG PRO 39 HG3 PRO 39 -22.472 -4.014 -4.014
269 1HD PRO 39 HD2 PRO 39 -20.739 -6.283 -6.283
270 2HD PRO 39 HD3 PRO 39 -22.384 -6.287 -6.287
271 H ILE 40 HN ILE 40 -18.978 -4.259 -4.259
272 HA ILE 40 HA ILE 40 -16.541 -5.230 -5.230
273 HB ILE 40 HB ILE 40 -17.246 -3.473 -3.473
274 1HG1 ILE 40 HG12 ILE 40 -16.533 -6.410 -6.410
275 2HG1 ILE 40 HG13 ILE 40 -18.108 -5.744 -5.744
276 1HG2 ILE 40 HG23 ILE 40 -14.957 -2.972 -2.972
277 2HG2 ILE 40 HG21 ILE 40 -14.553 -4.702 -4.702
278 3HG2 ILE 40 HG22 ILE 40 -14.986 -3.805 -3.805
279 1HD1 ILE 40 HD11 ILE 40 -16.454 -4.506 -4.506
280 2HD1 ILE 40 HD12 ILE 40 -15.770 -6.145 -6.145
281 3HD1 ILE 40 HD13 ILE 40 -17.483 -5.928 -5.928
282 H LYS 41 HN LYS 41 -16.851 -1.852 -1.852
283 HA LYS 41 HA LYS 41 -16.361 0.090 0.090
284 1HB LYS 41 HB2 LYS 41 -17.740 -0.790 -0.790
285 2HB LYS 41 HB3 LYS 41 -16.245 -1.295 -1.295
286 1HG LYS 41 HG2 LYS 41 -15.421 0.978 0.978
287 2HG LYS 41 HG3 LYS 41 -16.668 1.566 1.566
288 1HD LYS 41 HD2 LYS 41 -17.298 0.301 0.301
289 2HD LYS 41 HD3 LYS 41 -17.036 2.022 2.022
290 1HE LYS 41 HE2 LYS 41 -19.083 0.526 0.526
291 2HE LYS 41 HE3 LYS 41 -19.490 1.152 1.152
292 1HZ LYS 41 HZ3 LYS 41 -18.246 2.881 2.881
293 2HZ LYS 41 HZ1 LYS 41 -19.858 2.624 2.624
294 3HZ LYS 41 HZ2 LYS 41 -19.148 3.305 3.305
295 H ARG 42 HN ARG 42 -14.433 1.117 1.117
296 HA ARG 42 HA ARG 42 -12.111 -0.349 -0.349
297 1HB ARG 42 HB2 ARG 42 -11.180 1.089 1.089
298 2HB ARG 42 HB3 ARG 42 -11.480 -0.636 -0.636
299 1HG ARG 42 HG2 ARG 42 -13.897 -0.169 -0.169
300 2HG ARG 42 HG3 ARG 42 -13.472 1.521 1.521
301 1HD ARG 42 HD2 ARG 42 -11.555 0.580 0.580
302 2HD ARG 42 HD3 ARG 42 -12.560 -0.855 -0.855
303 HE ARG 42 HE ARG 42 -14.329 1.254 1.254
304 1HH1 ARG 42 HH22 ARG 42 -11.369 0.067 0.067
305 2HH1 ARG 42 HH21 ARG 42 -11.790 0.622 0.622
306 1HH2 ARG 42 HH12 ARG 42 -14.887 1.986 1.986
307 2HH2 ARG 42 HH11 ARG 42 -13.805 1.720 1.720
308 H ILE 43 HN ILE 43 -12.759 1.306 1.306
309 HA ILE 43 HA ILE 43 -12.763 3.954 3.954
310 HB ILE 43 HB ILE 43 -11.928 1.955 1.955
311 1HG1 ILE 43 HG12 ILE 43 -13.089 3.615 3.615
312 2HG1 ILE 43 HG13 ILE 43 -13.377 4.610 4.610
313 1HG2 ILE 43 HG21 ILE 43 -10.526 4.629 4.629
314 2HG2 ILE 43 HG22 ILE 43 -10.783 3.663 3.663
315 3HG2 ILE 43 HG23 ILE 43 -9.822 3.000 3.000
316 1HD1 ILE 43 HD13 ILE 43 -14.103 1.772 1.772
317 2HD1 ILE 43 HD11 ILE 43 -15.032 2.562 2.562
318 3HD1 ILE 43 HD12 ILE 43 -15.037 3.247 3.247
319 H GLN 44 HN GLN 44 -11.339 5.708 5.708
320 HA GLN 44 HA GLN 44 -9.011 5.050 5.050
321 1HB GLN 44 HB2 GLN 44 -10.324 7.691 7.691
322 2HB GLN 44 HB3 GLN 44 -8.849 7.602 7.602
323 1HG GLN 44 HG2 GLN 44 -11.625 6.638 6.638
324 2HG GLN 44 HG3 GLN 44 -10.576 7.727 7.727
325 1HE2 GLN 44 HE22 GLN 44 -10.154 3.626 3.626
326 2HE2 GLN 44 HE21 GLN 44 -11.085 4.402 4.402
327 H TYR 45 HN TYR 45 -7.039 6.766 6.766
328 HA TYR 45 HA TYR 45 -6.595 6.701 6.701
329 1HB TYR 45 HB2 TYR 45 -5.225 5.327 5.327
330 2HB TYR 45 HB3 TYR 45 -4.118 6.181 6.181
331 HD1 TYR 45 HD2 TYR 45 -5.687 5.731 5.731
332 HD2 TYR 45 HD1 TYR 45 -4.551 3.094 3.094
333 HE1 TYR 45 HE2 TYR 45 -5.718 3.766 3.766
334 HE2 TYR 45 HE1 TYR 45 -4.586 1.138 1.138
335 HH TYR 45 HH TYR 45 -5.041 1.659 1.659
336 H GLU 46 HN GLU 46 -7.312 9.045 9.045
337 HA GLU 46 HA GLU 46 -5.629 10.625 10.625
338 1HB GLU 46 HB2 GLU 46 -8.045 11.011 11.011
339 2HB GLU 46 HB3 GLU 46 -7.097 11.800 11.800
340 1HG GLU 46 HG2 GLU 46 -6.076 13.308 13.308
341 2HG GLU 46 HG3 GLU 46 -6.859 12.454 12.454
342 H ILE 47 HN ILE 47 -3.526 9.622 9.622
343 HA ILE 47 HA ILE 47 -2.675 10.193 10.193
344 HB ILE 47 HB ILE 47 -0.462 9.571 9.571
345 1HG1 ILE 47 HG12 ILE 47 -1.817 9.845 9.845
346 2HG1 ILE 47 HG13 ILE 47 -0.267 10.471 10.471
347 1HG2 ILE 47 HG23 ILE 47 -2.781 7.981 7.981
348 2HG2 ILE 47 HG21 ILE 47 -1.890 7.431 7.431
349 3HG2 ILE 47 HG22 ILE 47 -1.085 7.462 7.462
350 1HD1 ILE 47 HD12 ILE 47 -0.157 7.617 7.617
351 2HD1 ILE 47 HD13 ILE 47 -0.831 7.968 7.968
352 3HD1 ILE 47 HD11 ILE 47 0.751 8.638 8.638
353 H LYS 48 HN LYS 48 -0.158 11.410 11.410
354 HA LYS 48 HA LYS 48 -0.815 14.047 14.047
355 1HB LYS 48 HB2 LYS 48 -1.108 13.668 13.668
356 2HB LYS 48 HB3 LYS 48 0.633 13.859 13.859
357 1HG LYS 48 HG2 LYS 48 0.523 16.066 16.066
358 2HG LYS 48 HG3 LYS 48 -1.115 15.847 15.847
359 1HD LYS 48 HD2 LYS 48 -0.762 17.262 17.262
360 2HD LYS 48 HD3 LYS 48 -2.061 16.086 16.086
361 1HE LYS 48 HE2 LYS 48 -0.793 14.506 14.506
362 2HE LYS 48 HE3 LYS 48 0.712 15.358 15.358
363 1HZ LYS 48 HZ3 LYS 48 -1.559 16.471 16.471
364 2HZ LYS 48 HZ1 LYS 48 -0.239 15.790 15.790
365 3HZ LYS 48 HZ2 LYS 48 -0.091 17.165 17.165
366 H GLN 49 HN GLN 49 0.908 11.485 11.485
367 HA GLN 49 HA GLN 49 2.988 10.986 10.986
368 1HB GLN 49 HB2 GLN 49 2.582 11.869 11.869
369 2HB GLN 49 HB3 GLN 49 2.188 13.459 13.459
370 1HG GLN 49 HG2 GLN 49 4.314 13.512 13.512
371 2HG GLN 49 HG3 GLN 49 4.582 13.938 13.938
372 1HE2 GLN 49 HE22 GLN 49 5.565 10.067 10.067
373 2HE2 GLN 49 HE21 GLN 49 4.097 10.825 10.825
374 H ILE 50 HN ILE 50 4.595 10.844 10.844
375 HA ILE 50 HA ILE 50 5.748 13.387 13.387
376 HB ILE 50 HB ILE 50 5.629 12.729 12.729
377 1HG1 ILE 50 HG12 ILE 50 6.729 10.135 10.135
378 2HG1 ILE 50 HG13 ILE 50 7.442 11.285 11.285
379 1HG2 ILE 50 HG23 ILE 50 3.393 11.990 11.990
380 2HG2 ILE 50 HG21 ILE 50 3.976 10.341 10.341
381 3HG2 ILE 50 HG22 ILE 50 3.759 11.491 11.491
382 1HD1 ILE 50 HD12 ILE 50 5.742 10.666 10.666
383 2HD1 ILE 50 HD13 ILE 50 5.055 9.476 9.476
384 3HD1 ILE 50 HD11 ILE 50 6.712 9.266 9.266
385 H LYS 51 HN LYS 51 6.212 10.192 10.192
386 HA LYS 51 HA LYS 51 8.912 10.958 10.958
387 1HB LYS 51 HB2 LYS 51 8.601 9.475 9.475
388 2HB LYS 51 HB3 LYS 51 8.826 8.221 8.221
389 1HG LYS 51 HG2 LYS 51 10.957 9.063 9.063
390 2HG LYS 51 HG3 LYS 51 10.661 10.639 10.639
391 1HD LYS 51 HD2 LYS 51 10.420 9.022 9.022
392 2HD LYS 51 HD3 LYS 51 11.606 8.125 8.125
393 1HE LYS 51 HE2 LYS 51 12.843 10.406 10.406
394 2HE LYS 51 HE3 LYS 51 11.794 11.001 11.001
395 1HZ LYS 51 HZ1 LYS 51 12.584 8.973 8.973
396 2HZ LYS 51 HZ2 LYS 51 13.782 8.868 8.868
397 3HZ LYS 51 HZ3 LYS 51 13.643 10.203 10.203
398 H MET 52 HN MET 52 9.857 9.305 9.305
399 HA MET 52 HA MET 52 7.799 7.759 7.759
400 1HB MET 52 HB2 MET 52 8.437 8.812 8.812
401 2HB MET 52 HB3 MET 52 7.617 9.918 9.918
402 1HG MET 52 HG2 MET 52 9.507 11.218 11.218
403 2HG MET 52 HG3 MET 52 10.599 9.850 9.850
404 1HE MET 52 HE1 MET 52 7.989 11.718 11.718
405 2HE MET 52 HE2 MET 52 9.136 12.836 12.836
406 3HE MET 52 HE3 MET 52 8.334 11.572 11.572
407 H PHE 53 HN PHE 53 9.435 6.250 6.250
408 HA PHE 53 HA PHE 53 12.028 5.938 5.938
409 1HB PHE 53 HB2 PHE 53 9.687 3.983 3.983
410 2HB PHE 53 HB3 PHE 53 11.319 3.369 3.369
411 HD1 PHE 53 HD2 PHE 53 12.959 5.043 5.043
412 HD2 PHE 53 HD1 PHE 53 8.992 3.714 3.714
413 HE1 PHE 53 HE2 PHE 53 13.320 5.287 5.287
414 HE2 PHE 53 HE1 PHE 53 9.354 3.959 3.959
415 HZ PHE 53 HZ PHE 53 11.514 4.742 4.742
416 H LYS 54 HN LYS 54 9.698 3.756 3.756
417 HA LYS 54 HA LYS 54 11.198 4.295 4.295
418 1HB LYS 54 HB2 LYS 54 11.986 2.186 2.186
419 2HB LYS 54 HB3 LYS 54 10.375 1.640 1.640
420 1HG LYS 54 HG2 LYS 54 11.225 0.673 0.673
421 2HG LYS 54 HG3 LYS 54 9.710 1.535 1.535
422 1HD LYS 54 HD2 LYS 54 11.933 3.392 3.392
423 2HD LYS 54 HD3 LYS 54 12.153 2.015 2.015
424 1HE LYS 54 HE2 LYS 54 9.744 2.329 2.329
425 2HE LYS 54 HE3 LYS 54 9.682 3.803 3.803
426 1HZ LYS 54 HZ1 LYS 54 11.959 4.043 4.043
427 2HZ LYS 54 HZ2 LYS 54 10.936 3.340 3.340
428 3HZ LYS 54 HZ3 LYS 54 10.532 4.755 4.755
429 H GLY 55 HN GLY 55 9.435 5.942 5.942
430 1HA GLY 55 HA1 GLY 55 7.012 4.633 4.633
431 2HA GLY 55 HA2 GLY 55 6.934 6.077 6.077
432 HA PRO 56 HA PRO 56 7.262 7.573 7.573
433 1HB PRO 56 HB2 PRO 56 5.251 9.418 9.418
434 2HB PRO 56 HB3 PRO 56 5.009 7.777 7.777
435 1HG PRO 56 HG2 PRO 56 4.237 8.975 8.975
436 2HG PRO 56 HG3 PRO 56 3.648 7.504 7.504
437 1HD PRO 56 HD2 PRO 56 5.522 7.697 7.697
438 2HD PRO 56 HD3 PRO 56 5.020 6.234 6.234
439 H GLU 57 HN GLU 57 7.174 10.097 10.097
440 HA GLU 57 HA GLU 57 9.296 11.153 11.153
441 1HB GLU 57 HB2 GLU 57 8.154 12.662 12.662
442 2HB GLU 57 HB3 GLU 57 9.826 12.482 12.482
443 1HG GLU 57 HG2 GLU 57 9.544 9.958 9.958
444 2HG GLU 57 HG3 GLU 57 8.079 10.456 10.456
445 H LYS 58 HN LYS 58 5.863 11.802 11.802
446 HA LYS 58 HA LYS 58 5.929 14.320 14.320
447 1HB LYS 58 HB2 LYS 58 4.510 13.583 13.583
448 2HB LYS 58 HB3 LYS 58 3.405 12.971 12.971
449 1HG LYS 58 HG2 LYS 58 2.589 15.092 15.092
450 2HG LYS 58 HG3 LYS 58 4.047 15.487 15.487
451 1HD LYS 58 HD2 LYS 58 4.005 15.543 15.543
452 2HD LYS 58 HD3 LYS 58 3.451 16.918 16.918
453 1HE LYS 58 HE2 LYS 58 5.887 16.277 16.277
454 2HE LYS 58 HE3 LYS 58 6.209 15.953 15.953
455 1HZ LYS 58 HZ1 LYS 58 4.908 18.436 18.436
456 2HZ LYS 58 HZ2 LYS 58 6.534 18.294 18.294
457 3HZ LYS 58 HZ3 LYS 58 5.688 18.123 18.123
458 H ASP 59 HN ASP 59 3.626 11.552 11.552
459 HA ASP 59 HA ASP 59 4.259 10.499 10.499
460 1HB ASP 59 HB2 ASP 59 4.526 12.504 12.504
461 2HB ASP 59 HB3 ASP 59 3.128 13.262 13.262
462 H ILE 60 HN ILE 60 2.145 9.822 9.822
463 HA ILE 60 HA ILE 60 0.016 9.468 9.468
464 HB ILE 60 HB ILE 60 0.155 8.021 8.021
465 1HG1 ILE 60 HG12 ILE 60 2.461 7.998 7.998
466 2HG1 ILE 60 HG13 ILE 60 1.721 6.421 6.421
467 1HG2 ILE 60 HG21 ILE 60 -1.698 7.910 7.910
468 2HG2 ILE 60 HG22 ILE 60 -0.537 6.818 6.818
469 3HG2 ILE 60 HG23 ILE 60 -1.150 6.437 6.437
470 1HD1 ILE 60 HD11 ILE 60 1.481 7.935 7.935
471 2HD1 ILE 60 HD12 ILE 60 2.904 6.931 6.931
472 3HD1 ILE 60 HD13 ILE 60 1.288 6.191 6.191
473 H GLU 61 HN GLU 61 0.128 9.779 9.779
474 HA GLU 61 HA GLU 61 -0.950 11.094 11.094
475 1HB GLU 61 HB2 GLU 61 -1.034 12.674 12.674
476 2HB GLU 61 HB3 GLU 61 -2.446 12.970 12.970
477 1HG GLU 61 HG2 GLU 61 -1.220 13.924 13.924
478 2HG GLU 61 HG3 GLU 61 0.163 12.878 12.878
479 H PHE 62 HN PHE 62 -2.345 9.227 9.227
480 HA PHE 62 HA PHE 62 -4.809 9.049 9.049
481 1HB PHE 62 HB2 PHE 62 -4.392 10.106 10.106
482 2HB PHE 62 HB3 PHE 62 -5.600 8.838 8.838
483 HD1 PHE 62 HD1 PHE 62 -7.662 9.153 9.153
484 HD2 PHE 62 HD2 PHE 62 -4.809 12.269 12.269
485 HE1 PHE 62 HE1 PHE 62 -9.371 10.821 10.821
486 HE2 PHE 62 HE2 PHE 62 -6.519 13.935 13.935
487 HZ PHE 62 HZ PHE 62 -8.779 13.192 13.192
488 H ILE 63 HN ILE 63 -4.304 6.961 6.961
489 HA ILE 63 HA ILE 63 -3.696 5.011 5.011
490 HB ILE 63 HB ILE 63 -3.535 4.409 4.409
491 1HG1 ILE 63 HG12 ILE 63 -2.372 6.705 6.705
492 2HG1 ILE 63 HG13 ILE 63 -1.728 5.674 5.674
493 1HG2 ILE 63 HG23 ILE 63 -2.307 3.424 3.424
494 2HG2 ILE 63 HG21 ILE 63 -1.417 3.226 3.226
495 3HG2 ILE 63 HG22 ILE 63 -3.040 2.518 2.518
496 1HD1 ILE 63 HD11 ILE 63 -0.978 5.198 5.198
497 2HD1 ILE 63 HD12 ILE 63 -0.126 6.417 6.417
498 3HD1 ILE 63 HD13 ILE 63 -0.103 4.706 4.706
499 H TYR 64 HN TYR 64 -4.727 2.767 2.767
500 HA TYR 64 HA TYR 64 -7.501 3.179 3.179
501 1HB TYR 64 HB2 TYR 64 -6.207 1.693 1.693
502 2HB TYR 64 HB3 TYR 64 -7.858 1.359 1.359
503 HD1 TYR 64 HD1 TYR 64 -5.809 4.460 4.460
504 HD2 TYR 64 HD2 TYR 64 -9.445 2.340 2.340
505 HE1 TYR 64 HE1 TYR 64 -6.629 6.379 6.379
506 HE2 TYR 64 HE2 TYR 64 -10.253 4.267 4.267
507 HH TYR 64 HH TYR 64 -9.451 6.068 6.068
508 H THR 65 HN THR 65 -8.507 1.443 1.443
509 HA THR 65 HA THR 65 -7.174 -1.065 -1.065
510 HB THR 65 HB THR 65 -5.778 0.390 0.390
511 HG1 THR 65 HG1 THR 65 -6.519 -1.903 -1.903
512 1HG2 THR 65 HG23 THR 65 -8.520 0.977 0.977
513 2HG2 THR 65 HG21 THR 65 -7.079 0.969 0.969
514 3HG2 THR 65 HG22 THR 65 -7.183 2.109 2.109
515 H ALA 66 HN ALA 66 -8.370 -1.958 -1.958
516 HA ALA 66 HA ALA 66 -11.182 -1.795 -1.795
517 1HB ALA 66 HB1 ALA 66 -9.363 -3.935 -3.935
518 2HB ALA 66 HB2 ALA 66 -10.835 -3.920 -3.920
519 3HB ALA 66 HB3 ALA 66 -10.965 -4.035 -4.035
520 HA PRO 67 HA PRO 67 -12.125 0.125 0.125
521 1HB PRO 67 HB2 PRO 67 -14.763 -0.525 -0.525
522 2HB PRO 67 HB3 PRO 67 -14.203 0.760 0.760
523 1HG PRO 67 HG2 PRO 67 -15.179 -1.935 -1.935
524 2HG PRO 67 HG3 PRO 67 -15.023 -0.514 -0.514
525 1HD PRO 67 HD2 PRO 67 -13.275 -2.788 -2.788
526 2HD PRO 67 HD3 PRO 67 -13.058 -1.318 -1.318
527 H SER 68 HN SER 68 -13.963 -0.591 -0.591
528 HA SER 68 HA SER 68 -14.079 -1.771 -1.771
529 1HB SER 68 HB2 SER 68 -13.848 -3.735 -3.735
530 2HB SER 68 HB3 SER 68 -12.827 -4.287 -4.287
531 HG SER 68 HG SER 68 -14.561 -4.754 -4.754
532 H SER 69 HN SER 69 -12.295 -3.882 -3.882
533 HA SER 69 HA SER 69 -10.159 -2.159 -2.159
534 1HB SER 69 HB2 SER 69 -11.345 -3.640 -3.640
535 2HB SER 69 HB3 SER 69 -10.765 -5.051 -5.051
536 HG SER 69 HG SER 69 -9.365 -3.268 -3.268
537 H ALA 70 HN ALA 70 -10.275 -3.042 -3.042
538 HA ALA 70 HA ALA 70 -8.627 -3.413 -3.413
539 1HB ALA 70 HB2 ALA 70 -7.117 -3.249 -3.249
540 2HB ALA 70 HB3 ALA 70 -6.828 -4.943 -4.943
541 3HB ALA 70 HB1 ALA 70 -6.456 -3.633 -3.633
542 H VAL 71 HN VAL 71 -9.953 -4.804 -4.804
543 HA VAL 71 HA VAL 71 -9.972 -7.600 -7.600
544 HB VAL 71 HB VAL 71 -12.029 -7.792 -7.792
545 1HG1 VAL 71 HG11 VAL 71 -12.188 -5.935 -5.935
546 2HG1 VAL 71 HG12 VAL 71 -11.881 -4.771 -4.771
547 3HG1 VAL 71 HG13 VAL 71 -13.368 -5.749 -5.749
548 1HG2 VAL 71 HG21 VAL 71 -11.087 -5.873 -5.873
549 2HG2 VAL 71 HG22 VAL 71 -11.597 -7.570 -7.570
550 3HG2 VAL 71 HG23 VAL 71 -12.806 -6.306 -6.306
551 H CYS 72 HN CYS 72 -9.102 -5.357 -5.357
552 HA CYS 72 HA CYS 72 -7.603 -7.574 -7.574
553 1HB CYS 72 HB2 CYS 72 -9.462 -5.668 -5.668
554 2HB CYS 72 HB3 CYS 72 -8.114 -6.397 -6.397
555 H GLY 73 HN GLY 73 -7.074 -5.234 -5.234
556 1HA GLY 73 HA1 GLY 73 -4.711 -4.252 -4.252
557 2HA GLY 73 HA2 GLY 73 -5.916 -3.029 -3.029
558 H VAL 74 HN VAL 74 -4.286 -2.050 -2.050
559 HA VAL 74 HA VAL 74 -4.032 -3.546 -3.546
560 HB VAL 74 HB VAL 74 -2.284 -1.422 -1.422
561 1HG1 VAL 74 HG12 VAL 74 -2.134 -2.725 -2.725
562 2HG1 VAL 74 HG13 VAL 74 -0.785 -1.843 -1.843
563 3HG1 VAL 74 HG11 VAL 74 -2.302 -0.994 -0.994
564 1HG2 VAL 74 HG21 VAL 74 -2.271 -3.990 -3.990
565 2HG2 VAL 74 HG22 VAL 74 -0.760 -3.066 -3.066
566 3HG2 VAL 74 HG23 VAL 74 -1.308 -4.132 -4.132
567 H SER 75 HN SER 75 -5.914 -1.279 -1.279
568 HA SER 75 HA SER 75 -6.820 0.671 0.671
569 1HB SER 75 HB2 SER 75 -7.772 -1.632 -1.632
570 2HB SER 75 HB3 SER 75 -7.900 -0.249 -0.249
571 HG SER 75 HG SER 75 -9.753 0.010 0.010
572 H LEU 76 HN LEU 76 -4.876 1.973 1.973
573 HA LEU 76 HA LEU 76 -4.209 2.183 2.183
574 1HB LEU 76 HB2 LEU 76 -2.586 3.649 3.649
575 2HB LEU 76 HB3 LEU 76 -2.105 2.686 2.686
576 HG LEU 76 HG LEU 76 -2.887 0.681 0.681
577 1HD1 LEU 76 HD12 LEU 76 -3.289 2.770 2.770
578 2HD1 LEU 76 HD13 LEU 76 -1.667 2.200 2.200
579 3HD1 LEU 76 HD11 LEU 76 -3.042 1.070 1.070
580 1HD2 LEU 76 HD23 LEU 76 -0.419 1.869 1.869
581 2HD2 LEU 76 HD21 LEU 76 -0.750 0.182 0.182
582 3HD2 LEU 76 HD22 LEU 76 -0.281 1.368 1.368
583 H ASP 77 HN ASP 77 -4.787 3.954 3.954
584 HA ASP 77 HA ASP 77 -6.129 6.036 6.036
585 1HB ASP 77 HB2 ASP 77 -7.531 6.357 6.357
586 2HB ASP 77 HB3 ASP 77 -7.168 4.654 4.654
587 H VAL 78 HN VAL 78 -3.199 5.246 5.246
588 HA VAL 78 HA VAL 78 -1.405 6.423 6.423
589 HB VAL 78 HB VAL 78 -3.065 8.506 8.506
590 1HG1 VAL 78 HG12 VAL 78 -0.639 9.064 9.064
591 2HG1 VAL 78 HG13 VAL 78 -1.067 10.097 10.097
592 3HG1 VAL 78 HG11 VAL 78 -2.207 9.907 9.907
593 1HG2 VAL 78 HG23 VAL 78 -0.541 6.986 6.986
594 2HG2 VAL 78 HG21 VAL 78 -1.897 7.357 7.357
595 3HG2 VAL 78 HG22 VAL 78 -0.694 8.611 8.611
596 H GLY 79 HN GLY 79 -4.412 8.239 8.239
597 1HA GLY 79 HA1 GLY 79 -3.562 9.516 9.516
598 2HA GLY 79 HA2 GLY 79 -5.169 8.848 8.848
599 H GLY 80 HN GLY 80 -3.622 6.073 6.073
600 1HA GLY 80 HA1 GLY 80 -3.368 5.601 5.601
601 2HA GLY 80 HA2 GLY 80 -4.072 4.462 4.462
602 H LYS 81 HN LYS 81 -2.059 5.131 5.131
603 HA LYS 81 HA LYS 81 0.131 3.560 3.560
604 1HB LYS 81 HB2 LYS 81 0.422 3.590 3.590
605 2HB LYS 81 HB3 LYS 81 -0.215 2.284 2.284
606 1HG LYS 81 HG2 LYS 81 -2.002 4.570 4.570
607 2HG LYS 81 HG3 LYS 81 -1.692 3.193 3.193
608 1HD LYS 81 HD2 LYS 81 -3.040 1.807 1.807
609 2HD LYS 81 HD3 LYS 81 -2.415 2.392 2.392
610 1HE LYS 81 HE2 LYS 81 -4.154 3.843 3.843
611 2HE LYS 81 HE3 LYS 81 -4.011 4.456 4.456
612 1HZ LYS 81 HZ3 LYS 81 -5.109 2.341 2.341
613 2HZ LYS 81 HZ1 LYS 81 -5.443 2.056 2.056
614 3HZ LYS 81 HZ2 LYS 81 -6.057 3.377 3.377
615 H LYS 82 HN LYS 82 0.358 5.479 5.479
616 HA LYS 82 HA LYS 82 1.312 7.847 7.847
617 1HB LYS 82 HB2 LYS 82 3.840 7.441 7.441
618 2HB LYS 82 HB3 LYS 82 2.997 6.993 6.993
619 1HG LYS 82 HG2 LYS 82 2.863 4.716 4.716
620 2HG LYS 82 HG3 LYS 82 4.513 5.302 5.302
621 1HD LYS 82 HD2 LYS 82 4.946 4.397 4.397
622 2HD LYS 82 HD3 LYS 82 3.728 5.426 5.426
623 1HE LYS 82 HE2 LYS 82 2.124 3.757 3.757
624 2HE LYS 82 HE3 LYS 82 2.664 3.065 3.065
625 1HZ LYS 82 HZ1 LYS 82 4.703 2.716 2.716
626 2HZ LYS 82 HZ2 LYS 82 3.330 2.279 2.279
627 3HZ LYS 82 HZ3 LYS 82 3.737 1.568 1.568
628 H GLU 83 HN GLU 83 3.382 5.670 5.670
629 HA GLU 83 HA GLU 83 2.061 6.565 6.565
630 1HB GLU 83 HB2 GLU 83 5.037 7.117 7.117
631 2HB GLU 83 HB3 GLU 83 3.922 7.692 7.692
632 1HG GLU 83 HG2 GLU 83 4.179 9.585 9.585
633 2HG GLU 83 HG3 GLU 83 2.683 8.890 8.890
634 H TYR 84 HN TYR 84 2.655 5.276 5.276
635 HA TYR 84 HA TYR 84 4.291 2.928 2.928
636 1HB TYR 84 HB2 TYR 84 2.560 1.704 1.704
637 2HB TYR 84 HB3 TYR 84 1.870 2.369 2.369
638 HD1 TYR 84 HD2 TYR 84 2.559 3.568 3.568
639 HD2 TYR 84 HD1 TYR 84 -0.203 3.364 3.364
640 HE1 TYR 84 HE2 TYR 84 0.831 4.826 4.826
641 HE2 TYR 84 HE1 TYR 84 -1.922 4.622 4.622
642 HH TYR 84 HH TYR 84 -2.367 4.901 4.901
643 H LEU 85 HN LEU 85 5.348 1.883 1.883
644 HA LEU 85 HA LEU 85 6.097 3.843 3.843
645 1HB LEU 85 HB2 LEU 85 7.797 2.187 2.187
646 2HB LEU 85 HB3 LEU 85 7.856 2.654 2.654
647 HG LEU 85 HG LEU 85 8.125 0.142 0.142
648 1HD1 LEU 85 HD11 LEU 85 7.171 1.454 1.454
649 2HD1 LEU 85 HD12 LEU 85 6.544 -0.206 -0.206
650 3HD1 LEU 85 HD13 LEU 85 8.298 0.090 0.090
651 1HD2 LEU 85 HD23 LEU 85 6.008 0.048 0.048
652 2HD2 LEU 85 HD21 LEU 85 6.062 -1.140 -1.140
653 3HD2 LEU 85 HD22 LEU 85 5.112 0.354 0.354
654 H ILE 86 HN ILE 86 3.444 1.996 1.996
655 HA ILE 86 HA ILE 86 2.516 0.411 0.411
656 HB ILE 86 HB ILE 86 1.906 3.219 3.219
657 1HG1 ILE 86 HG12 ILE 86 -0.364 2.427 2.427
658 2HG1 ILE 86 HG13 ILE 86 0.095 0.840 0.840
659 1HG2 ILE 86 HG23 ILE 86 1.617 1.728 1.728
660 2HG2 ILE 86 HG21 ILE 86 0.480 3.017 3.017
661 3HG2 ILE 86 HG22 ILE 86 2.216 3.378 3.378
662 1HD1 ILE 86 HD12 ILE 86 1.730 1.497 1.497
663 2HD1 ILE 86 HD13 ILE 86 0.012 1.736 1.736
664 3HD1 ILE 86 HD11 ILE 86 0.574 0.158 0.158
665 H ALA 87 HN ALA 87 3.690 -0.952 -0.952
666 HA ALA 87 HA ALA 87 4.752 0.230 0.230
667 1HB ALA 87 HB1 ALA 87 6.038 -1.481 -1.481
668 2HB ALA 87 HB2 ALA 87 6.350 -1.935 -1.935
669 3HB ALA 87 HB3 ALA 87 6.759 -0.301 -0.301
670 H GLY 88 HN GLY 88 3.407 -0.418 -0.418
671 1HA GLY 88 HA1 GLY 88 2.715 -3.277 -3.277
672 2HA GLY 88 HA2 GLY 88 1.447 -2.073 -2.073
673 H LYS 89 HN LYS 89 1.403 -3.515 -3.515
674 HA LYS 89 HA LYS 89 3.316 -3.030 -3.030
675 1HB LYS 89 HB2 LYS 89 0.386 -3.778 -3.778
676 2HB LYS 89 HB3 LYS 89 1.523 -3.811 -3.811
677 1HG LYS 89 HG2 LYS 89 2.988 -5.371 -5.371
678 2HG LYS 89 HG3 LYS 89 1.671 -5.453 -5.453
679 1HD LYS 89 HD2 LYS 89 1.128 -6.042 -6.042
680 2HD LYS 89 HD3 LYS 89 1.870 -7.272 -7.272
681 1HE LYS 89 HE2 LYS 89 -0.018 -7.408 -7.408
682 2HE LYS 89 HE3 LYS 89 -0.643 -5.852 -5.852
683 1HZ LYS 89 HZ3 LYS 89 -0.556 -7.271 -7.271
684 2HZ LYS 89 HZ1 LYS 89 -1.000 -8.403 -8.403
685 3HZ LYS 89 HZ2 LYS 89 -1.888 -7.043 -7.043
686 H ALA 90 HN ALA 90 1.047 -0.924 -0.924
687 HA ALA 90 HA ALA 90 0.597 1.220 1.220
688 1HB ALA 90 HB3 ALA 90 3.087 1.012 1.012
689 2HB ALA 90 HB1 ALA 90 2.218 1.441 1.441
690 3HB ALA 90 HB2 ALA 90 2.146 2.520 2.520
691 H GLU 91 HN GLU 91 -0.156 2.770 2.770
692 HA GLU 91 HA GLU 91 -1.815 1.032 1.032
693 1HB GLU 91 HB2 GLU 91 -3.066 2.102 2.102
694 2HB GLU 91 HB3 GLU 91 -2.772 3.657 3.657
695 1HG GLU 91 HG2 GLU 91 -5.025 2.546 2.546
696 2HG GLU 91 HG3 GLU 91 -4.095 3.118 3.118
697 H GLY 92 HN GLY 92 -0.261 4.242 4.242
698 1HA GLY 92 HA1 GLY 92 0.972 4.584 4.584
699 2HA GLY 92 HA2 GLY 92 -0.675 4.980 4.980
700 H ASP 93 HN ASP 93 1.410 5.602 5.602
701 HA ASP 93 HA ASP 93 1.804 7.403 7.403
702 1HB ASP 93 HB2 ASP 93 1.299 9.023 9.023
703 2HB ASP 93 HB3 ASP 93 2.334 9.460 9.460
704 H GLY 94 HN GLY 94 0.765 9.384 9.384
705 1HA GLY 94 HA1 GLY 94 -0.995 10.581 10.581
706 2HA GLY 94 HA2 GLY 94 -1.686 10.439 10.439
707 H LYS 95 HN LYS 95 -1.124 7.279 7.279
708 HA LYS 95 HA LYS 95 -2.991 6.684 6.684
709 1HB LYS 95 HB2 LYS 95 -5.023 6.384 6.384
710 2HB LYS 95 HB3 LYS 95 -4.452 7.775 7.775
711 1HG LYS 95 HG2 LYS 95 -4.117 4.880 4.880
712 2HG LYS 95 HG3 LYS 95 -5.398 5.944 5.944
713 1HD LYS 95 HD2 LYS 95 -2.401 6.386 6.386
714 2HD LYS 95 HD3 LYS 95 -3.549 5.924 5.924
715 1HE LYS 95 HE2 LYS 95 -3.371 8.578 8.578
716 2HE LYS 95 HE3 LYS 95 -3.230 8.297 8.297
717 1HZ LYS 95 HZ1 LYS 95 -5.673 7.862 7.862
718 2HZ LYS 95 HZ2 LYS 95 -5.391 9.147 9.147
719 3HZ LYS 95 HZ3 LYS 95 -5.533 7.655 7.655
720 H MET 96 HN MET 96 -3.006 4.446 4.446
721 HA MET 96 HA MET 96 -1.828 2.752 2.752
722 1HB MET 96 HB2 MET 96 -0.362 1.860 1.860
723 2HB MET 96 HB3 MET 96 0.230 3.131 3.131
724 1HG MET 96 HG2 MET 96 0.071 4.725 4.725
725 2HG MET 96 HG3 MET 96 -1.509 4.171 4.171
726 1HE MET 96 HE1 MET 96 1.946 4.484 4.484
727 2HE MET 96 HE2 MET 96 1.635 4.711 4.711
728 3HE MET 96 HE3 MET 96 2.574 3.307 3.307
729 H HIS 97 HN HIS 97 -1.447 0.425 0.425
730 HA HIS 97 HA HIS 97 -4.030 0.060 0.060
731 1HB HIS 97 HB2 HIS 97 -3.275 -1.006 -1.006
732 2HB HIS 97 HB3 HIS 97 -3.136 -2.335 -2.335
733 HD1 HIS 97 HD1 HIS 97 -5.251 -3.130 -3.130
734 HD2 HIS 97 HD2 HIS 97 -5.982 -0.130 -0.130
735 HE1 HIS 97 HE1 HIS 97 -7.783 -3.040 -3.040
736 H ILE 98 HN ILE 98 -3.889 -0.874 -0.874
737 HA ILE 98 HA ILE 98 -1.506 -2.456 -2.456
738 HB ILE 98 HB ILE 98 -1.126 -1.292 -1.292
739 1HG1 ILE 98 HG12 ILE 98 -3.476 0.400 0.400
740 2HG1 ILE 98 HG13 ILE 98 -3.264 -0.498 -0.498
741 1HG2 ILE 98 HG22 ILE 98 -0.241 -0.527 -0.527
742 2HG2 ILE 98 HG23 ILE 98 -1.147 0.949 0.949
743 3HG2 ILE 98 HG21 ILE 98 0.150 0.370 0.370
744 1HD1 ILE 98 HD11 ILE 98 -1.231 1.627 1.627
745 2HD1 ILE 98 HD12 ILE 98 -2.834 2.135 2.135
746 3HD1 ILE 98 HD13 ILE 98 -1.814 1.081 1.081
747 H THR 99 HN THR 99 -1.902 -4.205 -4.205
748 HA THR 99 HA THR 99 -4.514 -4.317 -4.317
749 HB THR 99 HB THR 99 -4.647 -6.731 -6.731
750 HG1 THR 99 HG1 THR 99 -3.232 -7.013 -7.013
751 1HG2 THR 99 HG22 THR 99 -4.857 -4.288 -4.288
752 2HG2 THR 99 HG23 THR 99 -5.507 -5.900 -5.900
753 3HG2 THR 99 HG21 THR 99 -6.171 -4.977 -4.977
754 H LEU 100 HN LEU 100 -4.655 -6.183 -6.183
755 HA LEU 100 HA LEU 100 -2.397 -6.118 -6.118
756 1HB LEU 100 HB2 LEU 100 -3.704 -7.160 -7.160
757 2HB LEU 100 HB3 LEU 100 -4.950 -6.544 -6.544
758 HG LEU 100 HG LEU 100 -3.999 -9.232 -9.232
759 1HD1 LEU 100 HD12 LEU 100 -5.075 -8.683 -8.683
760 2HD1 LEU 100 HD13 LEU 100 -5.470 -10.205 -10.205
761 3HD1 LEU 100 HD11 LEU 100 -3.771 -9.779 -9.779
762 1HD2 LEU 100 HD22 LEU 100 -6.597 -7.759 -7.759
763 2HD2 LEU 100 HD23 LEU 100 -5.882 -8.602 -8.602
764 3HD2 LEU 100 HD21 LEU 100 -6.598 -9.539 -9.539
765 H CYS 101 HN CYS 101 -3.268 -8.068 -8.068
766 HA CYS 101 HA CYS 101 -1.525 -10.225 -10.225
767 1HB CYS 101 HB2 CYS 101 -2.306 -10.178 -10.178
768 2HB CYS 101 HB3 CYS 101 -2.582 -11.394 -11.394
769 H ASP 102 HN ASP 102 -1.441 -7.133 -7.133
770 HA ASP 102 HA ASP 102 0.940 -7.802 -7.802
771 1HB ASP 102 HB2 ASP 102 -1.007 -6.118 -6.118
772 2HB ASP 102 HB3 ASP 102 -0.142 -4.995 -4.995
773 H PHE 103 HN PHE 103 2.791 -5.948 -5.948
774 HA PHE 103 HA PHE 103 3.694 -6.111 -6.111
775 1HB PHE 103 HB2 PHE 103 5.288 -6.153 -6.153
776 2HB PHE 103 HB3 PHE 103 4.540 -4.772 -4.772
777 HD1 PHE 103 HD2 PHE 103 5.072 -4.577 -4.577
778 HD2 PHE 103 HD1 PHE 103 6.797 -3.784 -3.784
779 HE1 PHE 103 HE2 PHE 103 6.753 -3.057 -3.057
780 HE2 PHE 103 HE1 PHE 103 8.478 -2.265 -2.265
781 HZ PHE 103 HZ PHE 103 8.436 -1.920 -1.920
782 H ILE 104 HN ILE 104 3.147 -4.793 -4.793
783 HA ILE 104 HA ILE 104 3.110 -1.980 -1.980
784 HB ILE 104 HB ILE 104 0.665 -1.858 -1.858
785 1HG1 ILE 104 HG12 ILE 104 0.564 -4.483 -4.483
786 2HG1 ILE 104 HG13 ILE 104 0.376 -4.309 -4.309
787 1HG2 ILE 104 HG22 ILE 104 1.870 -1.342 -1.342
788 2HG2 ILE 104 HG23 ILE 104 0.601 -2.487 -2.487
789 3HG2 ILE 104 HG21 ILE 104 0.164 -0.996 -0.996
790 1HD1 ILE 104 HD13 ILE 104 -1.539 -2.637 -2.637
791 2HD1 ILE 104 HD11 ILE 104 -1.457 -3.280 -3.280
792 3HD1 ILE 104 HD12 ILE 104 -1.852 -4.363 -4.363
793 H VAL 105 HN VAL 105 3.520 -0.984 -0.984
794 HA VAL 105 HA VAL 105 2.881 -2.324 -2.324
795 HB VAL 105 HB VAL 105 5.595 -1.919 -1.919
796 1HG1 VAL 105 HG11 VAL 105 3.827 -3.821 -3.821
797 2HG1 VAL 105 HG12 VAL 105 4.644 -4.658 -4.658
798 3HG1 VAL 105 HG13 VAL 105 5.583 -4.105 -4.105
799 1HG2 VAL 105 HG23 VAL 105 5.594 -1.860 -1.860
800 2HG2 VAL 105 HG21 VAL 105 6.825 -2.809 -2.809
801 3HG2 VAL 105 HG22 VAL 105 5.416 -3.624 -3.624
802 HA PRO 106 HA PRO 106 3.006 1.799 1.799
803 1HB PRO 106 HB2 PRO 106 3.342 1.569 1.569
804 2HB PRO 106 HB3 PRO 106 1.799 1.335 1.335
805 1HG PRO 106 HG2 PRO 106 3.633 -0.695 -0.695
806 2HG PRO 106 HG3 PRO 106 1.935 -0.854 -0.854
807 1HD PRO 106 HD2 PRO 106 4.160 -1.841 -1.841
808 2HD PRO 106 HD3 PRO 106 2.471 -1.898 -1.898
809 H TRP 107 HN TRP 107 5.657 0.165 0.165
810 HA TRP 107 HA TRP 107 7.777 0.795 0.795
811 1HB TRP 107 HB2 TRP 107 6.658 3.078 3.078
812 2HB TRP 107 HB3 TRP 107 7.177 3.509 3.509
813 HD1 TRP 107 HD1 TRP 107 9.062 1.797 1.797
814 HE1 TRP 107 HE1 TRP 107 11.419 2.928 2.928
815 HE3 TRP 107 HE3 TRP 107 8.589 5.201 5.201
816 HZ2 TRP 107 HZ2 TRP 107 12.790 5.070 5.070
817 HZ3 TRP 107 HZ3 TRP 107 10.483 6.776 6.776
818 HH2 TRP 107 HH2 TRP 107 12.530 6.748 6.748
819 H ASP 108 HN ASP 108 6.379 2.366 2.366
820 HA ASP 108 HA ASP 108 8.648 1.828 1.828
821 1HB ASP 108 HB2 ASP 108 6.827 3.555 3.555
822 2HB ASP 108 HB3 ASP 108 5.782 2.242 2.242
823 H THR 109 HN THR 109 8.262 -0.601 -0.601
824 HA THR 109 HA THR 109 7.706 -2.326 -2.326
825 HB THR 109 HB THR 109 5.941 -3.611 -3.611
826 HG1 THR 109 HG1 THR 109 5.956 -0.927 -0.927
827 1HG2 THR 109 HG22 THR 109 5.366 -2.007 -2.007
828 2HG2 THR 109 HG23 THR 109 5.089 -0.764 -0.764
829 3HG2 THR 109 HG21 THR 109 4.090 -2.238 -2.238
830 H LEU 110 HN LEU 110 8.112 -2.145 -2.145
831 HA LEU 110 HA LEU 110 9.016 -4.050 -4.050
832 1HB LEU 110 HB2 LEU 110 11.203 -2.168 -2.168
833 2HB LEU 110 HB3 LEU 110 11.261 -3.225 -3.225
834 HG LEU 110 HG LEU 110 9.252 -0.984 -0.984
835 1HD1 LEU 110 HD13 LEU 110 11.780 -0.389 -0.389
836 2HD1 LEU 110 HD11 LEU 110 11.572 -0.862 -0.862
837 3HD1 LEU 110 HD12 LEU 110 10.588 0.454 0.454
838 1HD2 LEU 110 HD21 LEU 110 9.228 -3.190 -3.190
839 2HD2 LEU 110 HD22 LEU 110 8.239 -1.713 -1.713
840 3HD2 LEU 110 HD23 LEU 110 9.781 -1.822 -1.822
841 H SER 111 HN SER 111 12.018 -3.614 -3.614
842 HA SER 111 HA SER 111 12.196 -5.014 -5.014
843 1HB SER 111 HB2 SER 111 11.245 -6.947 -6.947
844 2HB SER 111 HB3 SER 111 12.412 -7.531 -7.531
845 HG SER 111 HG SER 111 10.364 -6.073 -6.073
846 H THR 112 HN THR 112 13.138 -5.355 -5.355
847 HA THR 112 HA THR 112 15.613 -4.417 -4.417
848 HB THR 112 HB THR 112 15.500 -7.016 -7.016
849 HG1 THR 112 HG1 THR 112 17.381 -4.787 -4.787
850 1HG2 THR 112 HG22 THR 112 17.488 -6.430 -6.430
851 2HG2 THR 112 HG23 THR 112 18.052 -7.213 -7.213
852 3HG2 THR 112 HG21 THR 112 16.802 -7.994 -7.994
853 H THR 113 HN THR 113 14.359 -7.718 -7.718
854 HA THR 113 HA THR 113 15.546 -7.851 -7.851
855 HB THR 113 HB THR 113 12.921 -8.988 -8.988
856 HG1 THR 113 HG1 THR 113 14.671 -9.873 -9.873
857 1HG2 THR 113 HG23 THR 113 14.486 -9.529 -9.529
858 2HG2 THR 113 HG21 THR 113 13.624 -10.855 -10.855
859 3HG2 THR 113 HG22 THR 113 12.722 -9.441 -9.441
860 H GLN 114 HN GLN 114 12.887 -5.836 -5.836
861 HA GLN 114 HA GLN 114 12.018 -5.412 -5.412
862 1HB GLN 114 HB2 GLN 114 11.097 -4.516 -4.516
863 2HB GLN 114 HB3 GLN 114 10.581 -3.598 -3.598
864 1HG GLN 114 HG2 GLN 114 8.883 -5.146 -5.146
865 2HG GLN 114 HG3 GLN 114 10.062 -6.105 -6.105
866 1HE2 GLN 114 HE22 GLN 114 11.012 -8.088 -8.088
867 2HE2 GLN 114 HE21 GLN 114 11.726 -7.170 -7.170
868 H LYS 115 HN LYS 115 13.909 -3.785 -3.785
869 HA LYS 115 HA LYS 115 14.072 -1.294 -1.294
870 1HB LYS 115 HB2 LYS 115 15.173 -2.583 -2.583
871 2HB LYS 115 HB3 LYS 115 16.290 -1.463 -1.463
872 1HG LYS 115 HG2 LYS 115 14.923 0.386 0.386
873 2HG LYS 115 HG3 LYS 115 13.442 -0.543 -0.543
874 1HD LYS 115 HD2 LYS 115 15.367 -0.470 -0.470
875 2HD LYS 115 HD3 LYS 115 13.723 0.136 0.136
876 1HE LYS 115 HE2 LYS 115 13.075 -2.351 -2.351
877 2HE LYS 115 HE3 LYS 115 14.665 -2.749 -2.749
878 1HZ LYS 115 HZ2 LYS 115 13.861 -1.276 -1.276
879 2HZ LYS 115 HZ3 LYS 115 12.375 -1.683 -1.683
880 3HZ LYS 115 HZ1 LYS 115 13.426 -2.848 -2.848
881 H LYS 116 HN LYS 116 16.032 -4.305 -4.305
882 HA LYS 116 HA LYS 116 18.174 -3.243 -3.243
883 1HB LYS 116 HB2 LYS 116 18.857 -5.506 -5.506
884 2HB LYS 116 HB3 LYS 116 18.155 -5.380 -5.380
885 1HG LYS 116 HG2 LYS 116 16.610 -6.958 -6.958
886 2HG LYS 116 HG3 LYS 116 16.030 -6.004 -6.004
887 1HD LYS 116 HD2 LYS 116 18.623 -7.340 -7.340
888 2HD LYS 116 HD3 LYS 116 17.324 -8.466 -8.466
889 1HE LYS 116 HE2 LYS 116 16.406 -8.119 -8.119
890 2HE LYS 116 HE3 LYS 116 16.319 -6.391 -6.391
891 1HZ LYS 116 HZ3 LYS 116 18.903 -7.551 -7.551
892 2HZ LYS 116 HZ1 LYS 116 17.821 -7.355 -7.355
893 3HZ LYS 116 HZ2 LYS 116 18.323 -6.064 -6.064
894 H SER 117 HN SER 117 14.890 -3.744 -3.744
895 HA SER 117 HA SER 117 15.586 -4.050 -4.050
896 1HB SER 117 HB2 SER 117 13.515 -5.100 -5.100
897 2HB SER 117 HB3 SER 117 12.718 -3.850 -3.850
898 HG SER 117 HG SER 117 13.983 -4.914 -4.914
899 H LEU 118 HN LEU 118 14.998 -1.637 -1.637
900 HA LEU 118 HA LEU 118 13.630 0.164 0.164
901 1HB LEU 118 HB2 LEU 118 14.441 0.189 0.189
902 2HB LEU 118 HB3 LEU 118 14.128 1.712 1.712
903 HG LEU 118 HG LEU 118 12.005 -0.238 -0.238
904 1HD1 LEU 118 HD13 LEU 118 12.883 0.286 0.286
905 2HD1 LEU 118 HD11 LEU 118 11.144 0.173 0.173
906 3HD1 LEU 118 HD12 LEU 118 12.222 -1.193 -1.193
907 1HD2 LEU 118 HD21 LEU 118 12.226 2.433 2.433
908 2HD2 LEU 118 HD22 LEU 118 10.675 1.591 1.591
909 3HD2 LEU 118 HD23 LEU 118 11.516 2.296 2.296
910 H ASN 119 HN ASN 119 16.682 -1.031 -1.031
911 HA ASN 119 HA ASN 119 18.142 1.391 1.391
912 1HB ASN 119 HB2 ASN 119 18.799 -1.483 -1.483
913 2HB ASN 119 HB3 ASN 119 19.970 -0.187 -0.187
914 1HD2 ASN 119 HD21 ASN 119 20.337 -2.441 -2.441
915 2HD2 ASN 119 HD22 ASN 119 20.389 -1.995 -1.995
916 H HIS 120 HN HIS 120 17.479 -1.216 -1.216
917 HA HIS 120 HA HIS 120 18.295 0.366 0.366
918 1HB HIS 120 HB2 HIS 120 17.033 -2.275 -2.275
919 2HB HIS 120 HB3 HIS 120 16.672 -1.525 -1.525
920 HD1 HIS 120 HD1 HIS 120 19.032 -0.556 -0.556
921 HD2 HIS 120 HD2 HIS 120 19.335 -3.729 -3.729
922 HE1 HIS 120 HE1 HIS 120 21.250 -1.715 -1.715
923 H ARG 121 HN ARG 121 15.054 -1.036 -1.036
924 HA ARG 121 HA ARG 121 13.758 1.446 1.446
925 1HB ARG 121 HB2 ARG 121 13.073 0.629 0.629
926 2HB ARG 121 HB3 ARG 121 13.560 2.207 2.207
927 1HG ARG 121 HG2 ARG 121 15.697 0.096 0.096
928 2HG ARG 121 HG3 ARG 121 15.081 0.778 0.778
929 1HD ARG 121 HD2 ARG 121 15.576 2.907 2.907
930 2HD ARG 121 HD3 ARG 121 17.015 1.927 1.927
931 HE ARG 121 HE ARG 121 15.757 2.622 2.622
932 1HH1 ARG 121 HH22 ARG 121 18.009 3.695 3.695
933 2HH1 ARG 121 HH21 ARG 121 18.868 4.762 4.762
934 1HH2 ARG 121 HH12 ARG 121 16.889 4.029 4.029
935 2HH2 ARG 121 HH11 ARG 121 18.226 4.953 4.953
936 H TYR 122 HN TYR 122 13.093 -1.264 -1.264
937 HA TYR 122 HA TYR 122 11.004 -2.203 -2.203
938 1HB TYR 122 HB2 TYR 122 9.624 -2.506 -2.506
939 2HB TYR 122 HB3 TYR 122 10.045 -0.823 -0.823
940 HD1 TYR 122 HD2 TYR 122 11.193 -3.889 -3.889
941 HD2 TYR 122 HD1 TYR 122 11.078 0.387 0.387
942 HE1 TYR 122 HE2 TYR 122 12.221 -3.802 -3.802
943 HE2 TYR 122 HE1 TYR 122 12.108 0.459 0.459
944 HH TYR 122 HH TYR 122 13.492 -2.296 -2.296
945 H GLN 123 HN GLN 123 13.910 -2.986 -2.986
946 HA GLN 123 HA GLN 123 13.430 -5.730 -5.730
947 1HB GLN 123 HB2 GLN 123 12.858 -4.975 -4.975
948 2HB GLN 123 HB3 GLN 123 14.599 -5.038 -5.038
949 1HG GLN 123 HG2 GLN 123 13.787 -7.405 -7.405
950 2HG GLN 123 HG3 GLN 123 12.726 -7.233 -7.233
951 1HE2 GLN 123 HE22 GLN 123 15.211 -9.073 -9.073
952 2HE2 GLN 123 HE21 GLN 123 13.684 -9.113 -9.113
953 H MET 124 HN MET 124 14.960 -5.034 -5.034
954 HA MET 124 HA MET 124 17.481 -4.038 -4.038
955 1HB MET 124 HB2 MET 124 15.973 -4.674 -4.674
956 2HB MET 124 HB3 MET 124 17.422 -5.652 -5.652
957 1HG MET 124 HG2 MET 124 18.029 -2.903 -2.903
958 2HG MET 124 HG3 MET 124 17.197 -2.922 -2.922
959 1HE MET 124 HE1 MET 124 19.898 -2.137 -2.137
960 2HE MET 124 HE2 MET 124 20.981 -2.341 -2.341
961 3HE MET 124 HE3 MET 124 21.163 -3.387 -3.387
962 H GLY 125 HN GLY 125 17.337 -5.923 -5.923
963 1HA GLY 125 HA1 GLY 125 18.235 -7.810 -7.810
964 2HA GLY 125 HA2 GLY 125 19.582 -7.459 -7.459
965 H CYS 126 HN CYS 126 16.440 -7.999 -7.999
966 HA CYS 126 HA CYS 126 17.401 -10.095 -10.095
967 1HB CYS 126 HB2 CYS 126 15.397 -10.040 -10.040
968 2HB CYS 126 HB3 CYS 126 15.376 -8.459 -8.459
969 H GLU 127 HN GLU 127 15.381 -12.098 -12.098
970 HA GLU 127 HA GLU 127 14.784 -13.017 -13.017
971 1HB GLU 127 HB2 GLU 127 17.265 -13.243 -13.243
972 2HB GLU 127 HB3 GLU 127 17.298 -14.315 -14.315
973 1HG GLU 127 HG2 GLU 127 16.896 -16.050 -16.050
974 2HG GLU 127 HG3 GLU 127 15.293 -15.398 -15.398
Start of MODEL 47
1 H CYS 1 HN CYS 1 -11.829 -12.818 -12.818
2 HA CYS 1 HA CYS 1 -9.510 -12.519 -12.519
3 1HB CYS 1 HB2 CYS 1 -8.629 -10.468 -10.468
4 2HB CYS 1 HB3 CYS 1 -10.302 -10.101 -10.101
5 H SER 2 HN SER 2 -7.790 -12.503 -12.503
6 HA SER 2 HA SER 2 -7.899 -11.566 -11.566
7 1HB SER 2 HB2 SER 2 -8.653 -13.992 -13.992
8 2HB SER 2 HB3 SER 2 -9.669 -12.566 -12.566
9 HG SER 2 HG SER 2 -10.813 -14.328 -14.328
10 H CYS 3 HN CYS 3 -5.764 -11.851 -11.851
11 HA CYS 3 HA CYS 3 -4.591 -14.472 -14.472
12 1HB CYS 3 HB2 CYS 3 -3.992 -13.939 -13.939
13 2HB CYS 3 HB3 CYS 3 -4.104 -12.211 -12.211
14 H SER 4 HN SER 4 -2.350 -14.546 -14.546
15 HA SER 4 HA SER 4 -2.309 -12.757 -12.757
16 1HB SER 4 HB2 SER 4 -0.646 -14.303 -14.303
17 2HB SER 4 HB3 SER 4 -2.034 -15.199 -15.199
18 HG SER 4 HG SER 4 -0.402 -15.064 -15.064
19 HA PRO 5 HA PRO 5 0.822 -10.380 -10.380
20 1HB PRO 5 HB2 PRO 5 1.212 -8.557 -8.557
21 2HB PRO 5 HB3 PRO 5 -0.061 -8.410 -8.410
22 1HG PRO 5 HG2 PRO 5 -0.266 -9.218 -9.218
23 2HG PRO 5 HG3 PRO 5 -1.531 -8.662 -8.662
24 1HD PRO 5 HD2 PRO 5 -1.037 -11.367 -11.367
25 2HD PRO 5 HD3 PRO 5 -2.227 -10.824 -10.824
26 H VAL 6 HN VAL 6 2.491 -11.822 -11.822
27 HA VAL 6 HA VAL 6 4.303 -11.862 -11.862
28 HB VAL 6 HB VAL 6 3.161 -14.019 -14.019
29 1HG1 VAL 6 HG11 VAL 6 3.920 -13.371 -13.371
30 2HG1 VAL 6 HG12 VAL 6 4.713 -14.896 -14.896
31 3HG1 VAL 6 HG13 VAL 6 2.944 -14.739 -14.739
32 1HG2 VAL 6 HG21 VAL 6 6.063 -13.551 -13.551
33 2HG2 VAL 6 HG22 VAL 6 5.015 -14.622 -14.622
34 3HG2 VAL 6 HG23 VAL 6 5.621 -15.160 -15.160
35 H HIS 7 HN HIS 7 5.949 -13.455 -13.455
36 HA HIS 7 HA HIS 7 7.823 -12.832 -12.832
37 1HB HIS 7 HB2 HIS 7 7.167 -11.290 -11.290
38 2HB HIS 7 HB3 HIS 7 6.687 -12.972 -12.972
39 HD1 HIS 7 HD1 HIS 7 4.278 -13.366 -13.366
40 HD2 HIS 7 HD2 HIS 7 4.946 -9.541 -9.541
41 HE1 HIS 7 HE1 HIS 7 2.014 -12.189 -12.189
42 HA PRO 8 HA PRO 8 8.550 -8.933 -8.933
43 1HB PRO 8 HB2 PRO 8 10.798 -9.702 -9.702
44 2HB PRO 8 HB3 PRO 8 9.188 -9.808 -9.808
45 1HG PRO 8 HG2 PRO 8 10.903 -11.977 -11.977
46 2HG PRO 8 HG3 PRO 8 9.507 -12.093 -12.093
47 1HD PRO 8 HD2 PRO 8 9.598 -12.692 -12.692
48 2HD PRO 8 HD3 PRO 8 8.178 -12.696 -12.696
49 H GLN 9 HN GLN 9 9.816 -10.560 -10.560
50 HA GLN 9 HA GLN 9 11.610 -8.331 -8.331
51 1HB GLN 9 HB2 GLN 9 13.045 -10.180 -10.180
52 2HB GLN 9 HB3 GLN 9 12.289 -11.277 -11.277
53 1HG GLN 9 HG2 GLN 9 13.930 -10.690 -10.690
54 2HG GLN 9 HG3 GLN 9 13.082 -9.167 -9.167
55 1HE2 GLN 9 HE22 GLN 9 15.166 -7.330 -7.330
56 2HE2 GLN 9 HE21 GLN 9 13.512 -7.558 -7.558
57 H GLN 10 HN GLN 10 9.761 -11.162 -11.162
58 HA GLN 10 HA GLN 10 10.012 -10.453 -10.453
59 1HB GLN 10 HB2 GLN 10 9.092 -12.504 -12.504
60 2HB GLN 10 HB3 GLN 10 8.758 -12.511 -12.511
61 1HG GLN 10 HG2 GLN 10 6.592 -12.729 -12.729
62 2HG GLN 10 HG3 GLN 10 6.687 -10.985 -10.985
63 1HE2 GLN 10 HE21 GLN 10 4.884 -12.058 -12.058
64 2HE2 GLN 10 HE22 GLN 10 5.302 -11.783 -11.783
65 H ALA 11 HN ALA 11 8.502 -8.801 -8.801
66 HA ALA 11 HA ALA 11 6.201 -7.918 -7.918
67 1HB ALA 11 HB2 ALA 11 7.206 -7.818 -7.818
68 2HB ALA 11 HB3 ALA 11 6.487 -6.280 -6.280
69 3HB ALA 11 HB1 ALA 11 5.533 -7.781 -7.781
70 H PHE 12 HN PHE 12 9.513 -6.859 -6.859
71 HA PHE 12 HA PHE 12 9.011 -4.272 -4.272
72 1HB PHE 12 HB2 PHE 12 11.449 -5.641 -5.641
73 2HB PHE 12 HB3 PHE 12 11.449 -3.971 -3.971
74 HD1 PHE 12 HD1 PHE 12 8.958 -5.980 -5.980
75 HD2 PHE 12 HD2 PHE 12 11.520 -2.597 -2.597
76 HE1 PHE 12 HE1 PHE 12 8.088 -5.265 -5.265
77 HE2 PHE 12 HE2 PHE 12 10.649 -1.883 -1.883
78 HZ PHE 12 HZ PHE 12 8.945 -3.226 -3.226
79 H CYS 13 HN CYS 13 9.331 -7.203 -7.203
80 HA CYS 13 HA CYS 13 11.226 -6.272 -6.272
81 1HB CYS 13 HB2 CYS 13 10.906 -8.906 -8.906
82 2HB CYS 13 HB3 CYS 13 11.183 -8.940 -8.940
83 H ASN 14 HN ASN 14 7.994 -6.937 -6.937
84 HA ASN 14 HA ASN 14 7.302 -7.679 -7.679
85 1HB ASN 14 HB2 ASN 14 6.347 -8.548 -8.548
86 2HB ASN 14 HB3 ASN 14 5.077 -7.486 -7.486
87 1HD2 ASN 14 HD22 ASN 14 5.863 -11.118 -11.118
88 2HD2 ASN 14 HD21 ASN 14 6.873 -10.412 -10.412
89 H ALA 15 HN ALA 15 6.757 -5.305 -5.305
90 HA ALA 15 HA ALA 15 4.754 -3.785 -3.785
91 1HB ALA 15 HB3 ALA 15 7.125 -3.002 -3.002
92 2HB ALA 15 HB1 ALA 15 5.712 -1.963 -1.963
93 3HB ALA 15 HB2 ALA 15 5.511 -3.512 -3.512
94 H ASP 16 HN ASP 16 5.199 -1.345 -1.345
95 HA ASP 16 HA ASP 16 7.504 -1.169 -1.169
96 1HB ASP 16 HB2 ASP 16 4.707 -1.567 -1.567
97 2HB ASP 16 HB3 ASP 16 5.621 -0.308 -0.308
98 H VAL 17 HN VAL 17 5.904 0.094 0.094
99 HA VAL 17 HA VAL 17 6.492 2.787 2.787
100 HB VAL 17 HB VAL 17 4.357 2.503 2.503
101 1HG1 VAL 17 HG11 VAL 17 3.490 0.817 0.817
102 2HG1 VAL 17 HG12 VAL 17 2.950 2.267 2.267
103 3HG1 VAL 17 HG13 VAL 17 2.335 1.938 1.938
104 1HG2 VAL 17 HG21 VAL 17 5.175 4.637 4.637
105 2HG2 VAL 17 HG22 VAL 17 3.573 4.593 4.593
106 3HG2 VAL 17 HG23 VAL 17 3.722 4.304 4.304
107 H VAL 18 HN VAL 18 7.835 2.393 2.393
108 HA VAL 18 HA VAL 18 6.367 1.929 1.929
109 HB VAL 18 HB VAL 18 9.333 2.171 2.171
110 1HG1 VAL 18 HG11 VAL 18 7.275 0.973 0.973
111 2HG1 VAL 18 HG12 VAL 18 8.654 -0.107 -0.107
112 3HG1 VAL 18 HG13 VAL 18 8.930 1.505 1.505
113 1HG2 VAL 18 HG22 VAL 18 8.106 0.632 0.632
114 2HG2 VAL 18 HG23 VAL 18 9.750 0.378 0.378
115 3HG2 VAL 18 HG21 VAL 18 8.382 -0.542 -0.542
116 H ILE 19 HN ILE 19 5.685 3.666 3.666
117 HA ILE 19 HA ILE 19 7.455 5.972 5.972
118 HB ILE 19 HB ILE 19 5.760 7.541 7.541
119 1HG1 ILE 19 HG12 ILE 19 3.940 5.188 5.188
120 2HG1 ILE 19 HG13 ILE 19 3.715 6.835 6.835
121 1HG2 ILE 19 HG23 ILE 19 7.078 6.383 6.383
122 2HG2 ILE 19 HG21 ILE 19 5.613 5.424 5.424
123 3HG2 ILE 19 HG22 ILE 19 5.575 7.194 7.194
124 1HD1 ILE 19 HD12 ILE 19 3.669 7.472 7.472
125 2HD1 ILE 19 HD13 ILE 19 3.404 5.733 5.733
126 3HD1 ILE 19 HD11 ILE 19 2.239 6.672 6.672
127 H ARG 20 HN ARG 20 7.672 6.647 6.647
128 HA ARG 20 HA ARG 20 6.138 5.298 5.298
129 1HB ARG 20 HB2 ARG 20 7.967 7.658 7.658
130 2HB ARG 20 HB3 ARG 20 7.655 6.257 6.257
131 1HG ARG 20 HG2 ARG 20 8.724 4.876 4.876
132 2HG ARG 20 HG3 ARG 20 9.347 6.419 6.419
133 1HD ARG 20 HD2 ARG 20 10.006 4.901 4.901
134 2HD ARG 20 HD3 ARG 20 11.097 5.648 5.648
135 HE ARG 20 HE ARG 20 9.340 7.513 7.513
136 1HH1 ARG 20 HH22 ARG 20 12.497 5.974 5.974
137 2HH1 ARG 20 HH21 ARG 20 13.282 7.154 7.154
138 1HH2 ARG 20 HH12 ARG 20 10.374 9.071 9.071
139 2HH2 ARG 20 HH11 ARG 20 12.065 8.928 8.928
140 H THR 21 HN THR 21 4.452 6.876 6.876
141 HA THR 21 HA THR 21 3.925 9.439 9.439
142 HB THR 21 HB THR 21 3.155 8.689 8.689
143 HG1 THR 21 HG1 THR 21 1.308 9.845 9.845
144 1HG2 THR 21 HG21 THR 21 2.716 6.232 6.232
145 2HG2 THR 21 HG22 THR 21 1.136 6.875 6.875
146 3HG2 THR 21 HG23 THR 21 1.602 6.915 6.915
147 H LYS 22 HN LYS 22 1.652 9.991 9.991
148 HA LYS 22 HA LYS 22 1.174 8.124 8.124
149 1HB LYS 22 HB2 LYS 22 0.928 9.988 9.988
150 2HB LYS 22 HB3 LYS 22 2.507 10.054 10.054
151 1HG LYS 22 HG2 LYS 22 1.756 11.783 11.783
152 2HG LYS 22 HG3 LYS 22 0.097 11.625 11.625
153 1HD LYS 22 HD2 LYS 22 2.468 12.770 12.770
154 2HD LYS 22 HD3 LYS 22 0.956 13.562 13.562
155 1HE LYS 22 HE2 LYS 22 -0.189 11.744 11.744
156 2HE LYS 22 HE3 LYS 22 1.420 11.360 11.360
157 1HZ LYS 22 HZ2 LYS 22 1.622 13.766 13.766
158 2HZ LYS 22 HZ3 LYS 22 0.026 13.930 13.930
159 3HZ LYS 22 HZ1 LYS 22 0.527 12.954 12.954
160 H ALA 23 HN ALA 23 -0.856 7.336 7.336
161 HA ALA 23 HA ALA 23 -2.822 8.775 8.775
162 1HB ALA 23 HB3 ALA 23 -2.409 6.372 6.372
163 2HB ALA 23 HB1 ALA 23 -2.861 5.995 5.995
164 3HB ALA 23 HB2 ALA 23 -4.074 6.659 6.659
165 H VAL 24 HN VAL 24 -3.645 10.453 10.453
166 HA VAL 24 HA VAL 24 -4.505 9.771 9.771
167 HB VAL 24 HB VAL 24 -4.692 12.288 12.288
168 1HG1 VAL 24 HG12 VAL 24 -2.150 10.733 10.733
169 2HG1 VAL 24 HG13 VAL 24 -2.048 12.494 12.494
170 3HG1 VAL 24 HG11 VAL 24 -2.871 11.481 11.481
171 1HG2 VAL 24 HG22 VAL 24 -4.732 12.688 12.688
172 2HG2 VAL 24 HG23 VAL 24 -3.559 13.687 13.687
173 3HG2 VAL 24 HG21 VAL 24 -3.000 12.275 12.275
174 H SER 25 HN SER 25 -5.549 10.917 10.917
175 HA SER 25 HA SER 25 -8.282 10.825 10.825
176 1HB SER 25 HB2 SER 25 -8.072 13.005 13.005
177 2HB SER 25 HB3 SER 25 -6.914 12.561 12.561
178 HG SER 25 HG SER 25 -9.242 13.124 13.124
179 H GLU 26 HN GLU 26 -9.933 10.087 10.087
180 HA GLU 26 HA GLU 26 -8.753 8.361 8.361
181 1HB GLU 26 HB2 GLU 26 -10.369 7.407 7.407
182 2HB GLU 26 HB3 GLU 26 -10.529 6.564 6.564
183 1HG GLU 26 HG2 GLU 26 -8.648 5.412 5.412
184 2HG GLU 26 HG3 GLU 26 -7.746 6.894 6.894
185 H LYS 27 HN LYS 27 -10.998 7.077 7.077
186 HA LYS 27 HA LYS 27 -13.169 8.961 8.961
187 1HB LYS 27 HB2 LYS 27 -11.596 9.919 9.919
188 2HB LYS 27 HB3 LYS 27 -11.462 8.377 8.377
189 1HG LYS 27 HG2 LYS 27 -13.617 8.506 8.506
190 2HG LYS 27 HG3 LYS 27 -14.231 9.499 9.499
191 1HD LYS 27 HD2 LYS 27 -13.841 10.625 10.625
192 2HD LYS 27 HD3 LYS 27 -13.324 11.489 11.489
193 1HE LYS 27 HE2 LYS 27 -11.008 10.835 10.835
194 2HE LYS 27 HE3 LYS 27 -11.440 9.666 9.666
195 1HZ LYS 27 HZ1 LYS 27 -12.394 11.702 11.702
196 2HZ LYS 27 HZ2 LYS 27 -11.439 12.572 12.572
197 3HZ LYS 27 HZ3 LYS 27 -10.776 11.476 11.476
198 H GLU 28 HN GLU 28 -14.964 7.738 7.738
199 HA GLU 28 HA GLU 28 -14.734 4.943 4.943
200 1HB GLU 28 HB2 GLU 28 -16.077 5.756 5.756
201 2HB GLU 28 HB3 GLU 28 -17.076 6.720 6.720
202 1HG GLU 28 HG2 GLU 28 -17.547 4.393 4.393
203 2HG GLU 28 HG3 GLU 28 -17.005 3.709 3.709
204 H VAL 29 HN VAL 29 -14.412 4.526 4.526
205 HA VAL 29 HA VAL 29 -16.428 5.627 5.627
206 HB VAL 29 HB VAL 29 -14.801 4.811 4.811
207 1HG1 VAL 29 HG12 VAL 29 -14.661 7.114 7.114
208 2HG1 VAL 29 HG13 VAL 29 -13.040 6.680 6.680
209 3HG1 VAL 29 HG11 VAL 29 -14.356 6.997 6.997
210 1HG2 VAL 29 HG21 VAL 29 -13.636 3.422 3.422
211 2HG2 VAL 29 HG22 VAL 29 -12.846 3.808 3.808
212 3HG2 VAL 29 HG23 VAL 29 -12.565 4.838 4.838
213 H ASP 30 HN ASP 30 -18.209 4.299 4.299
214 HA ASP 30 HA ASP 30 -18.240 1.691 1.691
215 1HB ASP 30 HB2 ASP 30 -20.044 2.709 2.709
216 2HB ASP 30 HB3 ASP 30 -20.446 1.629 1.629
217 H SER 31 HN SER 31 -18.271 -0.322 -0.322
218 HA SER 31 HA SER 31 -17.351 -0.002 -0.002
219 1HB SER 31 HB2 SER 31 -15.294 -0.608 -0.608
220 2HB SER 31 HB3 SER 31 -15.975 -1.371 -1.371
221 HG SER 31 HG SER 31 -15.609 -2.451 -2.451
222 H GLY 32 HN GLY 32 -19.919 -0.765 -0.765
223 1HA GLY 32 HA1 GLY 32 -21.688 -2.098 -2.098
224 2HA GLY 32 HA2 GLY 32 -20.833 -2.771 -2.771
225 H ASN 33 HN ASN 33 -22.122 -4.725 -4.725
226 HA ASN 33 HA ASN 33 -20.860 -5.816 -5.816
227 1HB ASN 33 HB2 ASN 33 -22.713 -7.351 -7.351
228 2HB ASN 33 HB3 ASN 33 -22.534 -7.528 -7.528
229 1HD2 ASN 33 HD22 ASN 33 -25.578 -5.468 -5.468
230 2HD2 ASN 33 HD21 ASN 33 -24.771 -6.827 -6.827
231 H ASP 34 HN ASP 34 -20.058 -8.227 -8.227
232 HA ASP 34 HA ASP 34 -18.311 -8.358 -8.358
233 1HB ASP 34 HB2 ASP 34 -17.757 -8.743 -8.743
234 2HB ASP 34 HB3 ASP 34 -18.301 -10.373 -10.373
235 H ILE 35 HN ILE 35 -17.901 -11.269 -11.269
236 HA ILE 35 HA ILE 35 -20.229 -12.085 -12.085
237 HB ILE 35 HB ILE 35 -17.653 -13.518 -13.518
238 1HG1 ILE 35 HG12 ILE 35 -17.200 -12.996 -12.996
239 2HG1 ILE 35 HG13 ILE 35 -18.511 -11.837 -11.837
240 1HG2 ILE 35 HG21 ILE 35 -20.084 -14.302 -14.302
241 2HG2 ILE 35 HG22 ILE 35 -18.492 -14.774 -14.774
242 3HG2 ILE 35 HG23 ILE 35 -18.982 -15.287 -15.287
243 1HD1 ILE 35 HD11 ILE 35 -16.364 -11.755 -11.755
244 2HD1 ILE 35 HD12 ILE 35 -16.011 -11.089 -11.089
245 3HD1 ILE 35 HD13 ILE 35 -17.356 -10.430 -10.430
246 H TYR 36 HN TYR 36 -19.643 -11.774 -11.774
247 HA TYR 36 HA TYR 36 -21.008 -14.289 -14.289
248 1HB TYR 36 HB2 TYR 36 -18.678 -13.230 -13.230
249 2HB TYR 36 HB3 TYR 36 -19.779 -12.300 -12.300
250 HD1 TYR 36 HD1 TYR 36 -19.234 -15.874 -15.874
251 HD2 TYR 36 HD2 TYR 36 -20.312 -13.150 -13.150
252 HE1 TYR 36 HE1 TYR 36 -19.390 -17.807 -17.807
253 HE2 TYR 36 HE2 TYR 36 -20.464 -15.093 -15.093
254 HH TYR 36 HH TYR 36 -20.097 -18.419 -18.419
255 H GLY 37 HN GLY 37 -21.683 -11.100 -11.100
256 1HA GLY 37 HA1 GLY 37 -23.749 -10.108 -10.108
257 2HA GLY 37 HA2 GLY 37 -24.195 -11.223 -11.223
258 H ASN 38 HN ASN 38 -21.188 -10.404 -10.404
259 HA ASN 38 HA ASN 38 -22.212 -8.575 -8.575
260 1HB ASN 38 HB2 ASN 38 -19.708 -8.544 -8.544
261 2HB ASN 38 HB3 ASN 38 -20.542 -10.082 -10.082
262 1HD2 ASN 38 HD22 ASN 38 -17.249 -10.645 -10.645
263 2HD2 ASN 38 HD21 ASN 38 -17.852 -10.039 -10.039
264 HA PRO 39 HA PRO 39 -20.840 -4.924 -4.924
265 1HB PRO 39 HB2 PRO 39 -20.377 -3.233 -3.233
266 2HB PRO 39 HB3 PRO 39 -21.980 -3.569 -3.569
267 1HG PRO 39 HG2 PRO 39 -20.714 -4.559 -4.559
268 2HG PRO 39 HG3 PRO 39 -22.413 -4.527 -4.527
269 1HD PRO 39 HD2 PRO 39 -20.679 -6.811 -6.811
270 2HD PRO 39 HD3 PRO 39 -22.345 -6.754 -6.754
271 H ILE 40 HN ILE 40 -19.086 -4.331 -4.331
272 HA ILE 40 HA ILE 40 -16.609 -5.360 -5.360
273 HB ILE 40 HB ILE 40 -17.354 -3.521 -3.521
274 1HG1 ILE 40 HG12 ILE 40 -16.809 -6.499 -6.499
275 2HG1 ILE 40 HG13 ILE 40 -18.341 -5.724 -5.724
276 1HG2 ILE 40 HG23 ILE 40 -14.698 -4.685 -4.685
277 2HG2 ILE 40 HG21 ILE 40 -15.064 -4.309 -4.309
278 3HG2 ILE 40 HG22 ILE 40 -15.103 -3.018 -3.018
279 1HD1 ILE 40 HD12 ILE 40 -16.805 -4.528 -4.528
280 2HD1 ILE 40 HD13 ILE 40 -15.947 -6.080 -6.080
281 3HD1 ILE 40 HD11 ILE 40 -17.676 -6.057 -6.057
282 H LYS 41 HN LYS 41 -17.082 -1.947 -1.947
283 HA LYS 41 HA LYS 41 -16.529 -0.028 -0.028
284 1HB LYS 41 HB2 LYS 41 -17.904 -0.847 -0.847
285 2HB LYS 41 HB3 LYS 41 -16.457 -1.512 -1.512
286 1HG LYS 41 HG2 LYS 41 -16.959 0.726 0.726
287 2HG LYS 41 HG3 LYS 41 -15.423 0.737 0.737
288 1HD LYS 41 HD2 LYS 41 -16.518 2.710 2.710
289 2HD LYS 41 HD3 LYS 41 -16.726 1.572 1.572
290 1HE LYS 41 HE2 LYS 41 -18.810 1.996 1.996
291 2HE LYS 41 HE3 LYS 41 -18.833 2.856 2.856
292 1HZ LYS 41 HZ3 LYS 41 -18.554 0.281 0.281
293 2HZ LYS 41 HZ1 LYS 41 -19.561 0.171 0.171
294 3HZ LYS 41 HZ2 LYS 41 -19.959 1.114 1.114
295 H ARG 42 HN ARG 42 -14.604 0.919 0.919
296 HA ARG 42 HA ARG 42 -12.271 -0.463 -0.463
297 1HB ARG 42 HB2 ARG 42 -11.279 0.718 0.718
298 2HB ARG 42 HB3 ARG 42 -11.771 -0.961 -0.961
299 1HG ARG 42 HG2 ARG 42 -14.116 -0.248 -0.248
300 2HG ARG 42 HG3 ARG 42 -13.506 1.376 1.376
301 1HD ARG 42 HD2 ARG 42 -11.727 0.266 0.266
302 2HD ARG 42 HD3 ARG 42 -12.762 -1.147 -1.147
303 HE ARG 42 HE ARG 42 -14.462 1.020 1.020
304 1HH1 ARG 42 HH22 ARG 42 -11.661 -0.518 -0.518
305 2HH1 ARG 42 HH21 ARG 42 -12.119 -0.099 -0.099
306 1HH2 ARG 42 HH12 ARG 42 -15.068 1.574 1.574
307 2HH2 ARG 42 HH11 ARG 42 -14.070 1.099 1.099
308 H ILE 43 HN ILE 43 -12.697 1.247 1.247
309 HA ILE 43 HA ILE 43 -12.759 3.920 3.920
310 HB ILE 43 HB ILE 43 -12.211 2.093 2.093
311 1HG1 ILE 43 HG12 ILE 43 -12.761 4.328 4.328
312 2HG1 ILE 43 HG13 ILE 43 -13.168 4.917 4.917
313 1HG2 ILE 43 HG23 ILE 43 -9.865 2.732 2.732
314 2HG2 ILE 43 HG21 ILE 43 -10.308 4.452 4.452
315 3HG2 ILE 43 HG22 ILE 43 -10.610 3.362 3.362
316 1HD1 ILE 43 HD13 ILE 43 -14.441 2.517 2.517
317 2HD1 ILE 43 HD11 ILE 43 -14.507 2.809 2.809
318 3HD1 ILE 43 HD12 ILE 43 -15.214 3.992 3.992
319 H GLN 44 HN GLN 44 -11.207 5.642 5.642
320 HA GLN 44 HA GLN 44 -8.920 4.830 4.830
321 1HB GLN 44 HB2 GLN 44 -10.138 7.552 7.552
322 2HB GLN 44 HB3 GLN 44 -8.675 7.354 7.354
323 1HG GLN 44 HG2 GLN 44 -11.491 6.445 6.445
324 2HG GLN 44 HG3 GLN 44 -10.424 7.468 7.468
325 1HE2 GLN 44 HE22 GLN 44 -10.100 3.352 3.352
326 2HE2 GLN 44 HE21 GLN 44 -10.992 4.204 4.204
327 H TYR 45 HN TYR 45 -6.992 6.722 6.722
328 HA TYR 45 HA TYR 45 -6.523 6.630 6.630
329 1HB TYR 45 HB2 TYR 45 -5.124 5.306 5.306
330 2HB TYR 45 HB3 TYR 45 -4.035 6.200 6.200
331 HD1 TYR 45 HD2 TYR 45 -5.466 5.719 5.719
332 HD2 TYR 45 HD1 TYR 45 -4.458 3.083 3.083
333 HE1 TYR 45 HE2 TYR 45 -5.410 3.758 3.758
334 HE2 TYR 45 HE1 TYR 45 -4.406 1.130 1.130
335 HH TYR 45 HH TYR 45 -4.552 0.504 0.504
336 H GLU 46 HN GLU 46 -7.304 8.952 8.952
337 HA GLU 46 HA GLU 46 -5.703 10.603 10.603
338 1HB GLU 46 HB2 GLU 46 -8.105 10.904 10.904
339 2HB GLU 46 HB3 GLU 46 -7.158 11.692 11.692
340 1HG GLU 46 HG2 GLU 46 -6.211 13.268 13.268
341 2HG GLU 46 HG3 GLU 46 -6.980 12.417 12.417
342 H ILE 47 HN ILE 47 -3.563 9.615 9.615
343 HA ILE 47 HA ILE 47 -2.684 10.243 10.243
344 HB ILE 47 HB ILE 47 -0.488 9.582 9.582
345 1HG1 ILE 47 HG12 ILE 47 -1.856 9.797 9.797
346 2HG1 ILE 47 HG13 ILE 47 -0.304 10.435 10.435
347 1HG2 ILE 47 HG21 ILE 47 -2.820 8.007 8.007
348 2HG2 ILE 47 HG22 ILE 47 -1.920 7.417 7.417
349 3HG2 ILE 47 HG23 ILE 47 -1.127 7.488 7.488
350 1HD1 ILE 47 HD11 ILE 47 -0.156 7.605 7.605
351 2HD1 ILE 47 HD12 ILE 47 -0.894 7.879 7.879
352 3HD1 ILE 47 HD13 ILE 47 0.694 8.589 8.589
353 H LYS 48 HN LYS 48 -0.285 11.507 11.507
354 HA LYS 48 HA LYS 48 -0.961 14.115 14.115
355 1HB LYS 48 HB2 LYS 48 -1.100 13.799 13.799
356 2HB LYS 48 HB3 LYS 48 0.651 13.800 13.800
357 1HG LYS 48 HG2 LYS 48 0.073 15.978 15.978
358 2HG LYS 48 HG3 LYS 48 -1.260 16.038 16.038
359 1HD LYS 48 HD2 LYS 48 0.797 17.342 17.342
360 2HD LYS 48 HD3 LYS 48 0.229 16.172 16.172
361 1HE LYS 48 HE2 LYS 48 2.128 14.902 14.902
362 2HE LYS 48 HE3 LYS 48 2.161 15.005 15.005
363 1HZ LYS 48 HZ1 LYS 48 3.065 17.224 17.224
364 2HZ LYS 48 HZ2 LYS 48 3.036 17.125 17.125
365 3HZ LYS 48 HZ3 LYS 48 4.018 16.143 16.143
366 H GLN 49 HN GLN 49 1.011 11.410 11.410
367 HA GLN 49 HA GLN 49 2.962 10.979 10.979
368 1HB GLN 49 HB2 GLN 49 2.238 13.510 13.510
369 2HB GLN 49 HB3 GLN 49 3.752 12.691 12.691
370 1HG GLN 49 HG2 GLN 49 1.104 11.187 11.187
371 2HG GLN 49 HG3 GLN 49 1.674 12.031 12.031
372 1HE2 GLN 49 HE22 GLN 49 4.725 9.981 9.981
373 2HE2 GLN 49 HE21 GLN 49 4.291 11.654 11.654
374 H ILE 50 HN ILE 50 4.693 10.961 10.961
375 HA ILE 50 HA ILE 50 5.826 13.578 13.578
376 HB ILE 50 HB ILE 50 5.829 13.066 13.066
377 1HG1 ILE 50 HG12 ILE 50 6.954 10.438 10.438
378 2HG1 ILE 50 HG13 ILE 50 7.690 11.685 11.685
379 1HG2 ILE 50 HG22 ILE 50 3.547 12.340 12.340
380 2HG2 ILE 50 HG23 ILE 50 4.142 10.662 10.662
381 3HG2 ILE 50 HG21 ILE 50 4.121 11.586 11.586
382 1HD1 ILE 50 HD11 ILE 50 5.763 11.109 11.109
383 2HD1 ILE 50 HD12 ILE 50 5.662 9.589 9.589
384 3HD1 ILE 50 HD13 ILE 50 7.185 10.044 10.044
385 H LYS 51 HN LYS 51 6.318 10.210 10.210
386 HA LYS 51 HA LYS 51 8.945 10.998 10.998
387 1HB LYS 51 HB2 LYS 51 8.648 9.520 9.520
388 2HB LYS 51 HB3 LYS 51 9.138 8.361 8.361
389 1HG LYS 51 HG2 LYS 51 10.803 10.490 10.490
390 2HG LYS 51 HG3 LYS 51 10.647 10.662 10.662
391 1HD LYS 51 HD2 LYS 51 11.764 8.683 8.683
392 2HD LYS 51 HD3 LYS 51 11.116 7.871 7.871
393 1HE LYS 51 HE2 LYS 51 12.694 8.982 8.982
394 2HE LYS 51 HE3 LYS 51 13.190 10.096 10.096
395 1HZ LYS 51 HZ3 LYS 51 13.534 7.197 7.197
396 2HZ LYS 51 HZ1 LYS 51 14.675 8.158 8.158
397 3HZ LYS 51 HZ2 LYS 51 14.233 8.372 8.372
398 H MET 52 HN MET 52 9.806 9.376 9.376
399 HA MET 52 HA MET 52 7.720 7.663 7.663
400 1HB MET 52 HB2 MET 52 8.051 8.574 8.574
401 2HB MET 52 HB3 MET 52 7.566 9.866 9.866
402 1HG MET 52 HG2 MET 52 10.303 9.992 9.992
403 2HG MET 52 HG3 MET 52 10.188 9.420 9.420
404 1HE MET 52 HE2 MET 52 11.137 10.971 10.971
405 2HE MET 52 HE3 MET 52 10.092 12.110 12.110
406 3HE MET 52 HE1 MET 52 11.149 12.700 12.700
407 H PHE 53 HN PHE 53 9.364 6.187 6.187
408 HA PHE 53 HA PHE 53 11.925 5.819 5.819
409 1HB PHE 53 HB2 PHE 53 9.507 4.092 4.092
410 2HB PHE 53 HB3 PHE 53 10.860 3.233 3.233
411 HD1 PHE 53 HD2 PHE 53 13.187 4.310 4.310
412 HD2 PHE 53 HD1 PHE 53 9.343 3.506 3.506
413 HE1 PHE 53 HE2 PHE 53 14.200 4.031 4.031
414 HE2 PHE 53 HE1 PHE 53 10.356 3.227 3.227
415 HZ PHE 53 HZ PHE 53 12.773 3.493 3.493
416 H LYS 54 HN LYS 54 9.639 3.795 3.795
417 HA LYS 54 HA LYS 54 11.254 4.460 4.460
418 1HB LYS 54 HB2 LYS 54 12.076 2.339 2.339
419 2HB LYS 54 HB3 LYS 54 10.471 1.727 1.727
420 1HG LYS 54 HG2 LYS 54 11.612 1.031 1.031
421 2HG LYS 54 HG3 LYS 54 9.918 1.478 1.478
422 1HD LYS 54 HD2 LYS 54 10.332 3.561 3.561
423 2HD LYS 54 HD3 LYS 54 11.976 3.651 3.651
424 1HE LYS 54 HE2 LYS 54 12.833 2.442 2.442
425 2HE LYS 54 HE3 LYS 54 11.473 1.337 1.337
426 1HZ LYS 54 HZ3 LYS 54 10.833 4.017 4.017
427 2HZ LYS 54 HZ1 LYS 54 11.889 3.274 3.274
428 3HZ LYS 54 HZ2 LYS 54 10.428 2.603 2.603
429 H GLY 55 HN GLY 55 9.454 6.069 6.069
430 1HA GLY 55 HA1 GLY 55 7.060 4.752 4.752
431 2HA GLY 55 HA2 GLY 55 7.000 6.237 6.237
432 HA PRO 56 HA PRO 56 7.469 7.427 7.427
433 1HB PRO 56 HB2 PRO 56 5.277 9.049 9.049
434 2HB PRO 56 HB3 PRO 56 5.261 7.360 7.360
435 1HG PRO 56 HG2 PRO 56 4.119 8.623 8.623
436 2HG PRO 56 HG3 PRO 56 3.759 7.055 7.055
437 1HD PRO 56 HD2 PRO 56 5.381 7.582 7.582
438 2HD PRO 56 HD3 PRO 56 5.115 6.025 6.025
439 H GLU 57 HN GLU 57 7.144 9.900 9.900
440 HA GLU 57 HA GLU 57 8.915 11.298 11.298
441 1HB GLU 57 HB2 GLU 57 8.162 12.398 12.398
442 2HB GLU 57 HB3 GLU 57 9.700 12.466 12.466
443 1HG GLU 57 HG2 GLU 57 9.874 9.922 9.922
444 2HG GLU 57 HG3 GLU 57 8.473 10.042 10.042
445 H LYS 58 HN LYS 58 5.647 11.425 11.425
446 HA LYS 58 HA LYS 58 5.156 14.121 14.121
447 1HB LYS 58 HB2 LYS 58 4.019 12.544 12.544
448 2HB LYS 58 HB3 LYS 58 2.965 12.130 12.130
449 1HG LYS 58 HG2 LYS 58 1.804 14.039 14.039
450 2HG LYS 58 HG3 LYS 58 3.215 14.956 14.956
451 1HD LYS 58 HD2 LYS 58 2.799 13.916 13.916
452 2HD LYS 58 HD3 LYS 58 2.309 15.516 15.516
453 1HE LYS 58 HE2 LYS 58 5.011 15.199 15.199
454 2HE LYS 58 HE3 LYS 58 4.961 14.576 14.576
455 1HZ LYS 58 HZ3 LYS 58 3.538 16.779 16.779
456 2HZ LYS 58 HZ1 LYS 58 4.534 17.257 17.257
457 3HZ LYS 58 HZ2 LYS 58 5.157 16.732 16.732
458 H ASP 59 HN ASP 59 3.402 11.171 11.171
459 HA ASP 59 HA ASP 59 3.988 10.854 10.854
460 1HB ASP 59 HB2 ASP 59 4.141 13.207 13.207
461 2HB ASP 59 HB3 ASP 59 2.566 13.546 13.546
462 H ILE 60 HN ILE 60 2.030 10.211 10.211
463 HA ILE 60 HA ILE 60 -0.237 9.568 9.568
464 HB ILE 60 HB ILE 60 0.252 8.192 8.192
465 1HG1 ILE 60 HG12 ILE 60 2.474 8.364 8.364
466 2HG1 ILE 60 HG13 ILE 60 1.914 6.745 6.745
467 1HG2 ILE 60 HG21 ILE 60 -1.668 7.912 7.912
468 2HG2 ILE 60 HG22 ILE 60 -0.467 6.776 6.776
469 3HG2 ILE 60 HG23 ILE 60 -1.073 6.565 6.565
470 1HD1 ILE 60 HD13 ILE 60 1.207 7.977 7.977
471 2HD1 ILE 60 HD11 ILE 60 2.829 7.289 7.289
472 3HD1 ILE 60 HD12 ILE 60 1.387 6.260 6.260
473 H GLU 61 HN GLU 61 0.138 9.808 9.808
474 HA GLU 61 HA GLU 61 -0.871 11.054 11.054
475 1HB GLU 61 HB2 GLU 61 -1.096 12.733 12.733
476 2HB GLU 61 HB3 GLU 61 -2.493 12.944 12.944
477 1HG GLU 61 HG2 GLU 61 -1.283 14.039 14.039
478 2HG GLU 61 HG3 GLU 61 -0.001 12.845 12.845
479 H PHE 62 HN PHE 62 -2.376 9.241 9.241
480 HA PHE 62 HA PHE 62 -4.752 8.986 8.986
481 1HB PHE 62 HB2 PHE 62 -4.516 10.226 10.226
482 2HB PHE 62 HB3 PHE 62 -5.529 8.800 8.800
483 HD1 PHE 62 HD1 PHE 62 -7.278 8.667 8.667
484 HD2 PHE 62 HD2 PHE 62 -5.618 12.211 12.211
485 HE1 PHE 62 HE1 PHE 62 -9.224 9.986 9.986
486 HE2 PHE 62 HE2 PHE 62 -7.565 13.530 13.530
487 HZ PHE 62 HZ PHE 62 -9.344 12.402 12.402
488 H ILE 63 HN ILE 63 -4.273 6.891 6.891
489 HA ILE 63 HA ILE 63 -3.679 4.981 4.981
490 HB ILE 63 HB ILE 63 -3.435 4.311 4.311
491 1HG1 ILE 63 HG12 ILE 63 -2.360 6.666 6.666
492 2HG1 ILE 63 HG13 ILE 63 -1.639 5.596 5.596
493 1HG2 ILE 63 HG23 ILE 63 -2.269 3.428 3.428
494 2HG2 ILE 63 HG21 ILE 63 -1.287 3.251 3.251
495 3HG2 ILE 63 HG22 ILE 63 -2.884 2.471 2.471
496 1HD1 ILE 63 HD11 ILE 63 -0.975 5.300 5.300
497 2HD1 ILE 63 HD12 ILE 63 -0.124 6.484 6.484
498 3HD1 ILE 63 HD13 ILE 63 -0.039 4.749 4.749
499 H TYR 64 HN TYR 64 -4.626 2.669 2.669
500 HA TYR 64 HA TYR 64 -7.423 3.087 3.087
501 1HB TYR 64 HB2 TYR 64 -7.610 2.614 2.614
502 2HB TYR 64 HB3 TYR 64 -6.027 1.866 1.866
503 HD1 TYR 64 HD2 TYR 64 -5.862 -0.476 -0.476
504 HD2 TYR 64 HD1 TYR 64 -9.480 1.259 1.259
505 HE1 TYR 64 HE2 TYR 64 -6.956 -2.772 -2.772
506 HE2 TYR 64 HE1 TYR 64 -10.561 -1.042 -1.042
507 HH TYR 64 HH TYR 64 -10.314 -3.160 -3.160
508 H THR 65 HN THR 65 -8.496 1.183 1.183
509 HA THR 65 HA THR 65 -7.164 -1.198 -1.198
510 HB THR 65 HB THR 65 -5.642 0.212 0.212
511 HG1 THR 65 HG1 THR 65 -6.376 -0.848 -0.848
512 1HG2 THR 65 HG22 THR 65 -8.279 1.213 1.213
513 2HG2 THR 65 HG23 THR 65 -6.838 1.148 1.148
514 3HG2 THR 65 HG21 THR 65 -6.826 2.148 2.148
515 H ALA 66 HN ALA 66 -8.284 -1.992 -1.992
516 HA ALA 66 HA ALA 66 -11.080 -1.970 -1.970
517 1HB ALA 66 HB1 ALA 66 -9.482 -3.545 -3.545
518 2HB ALA 66 HB2 ALA 66 -11.214 -3.780 -3.780
519 3HB ALA 66 HB3 ALA 66 -10.011 -4.111 -4.111
520 HA PRO 67 HA PRO 67 -12.285 0.725 0.725
521 1HB PRO 67 HB2 PRO 67 -14.839 -0.096 -0.096
522 2HB PRO 67 HB3 PRO 67 -14.417 0.906 0.906
523 1HG PRO 67 HG2 PRO 67 -15.091 -1.971 -1.971
524 2HG PRO 67 HG3 PRO 67 -15.086 -0.870 -0.870
525 1HD PRO 67 HD2 PRO 67 -13.102 -2.847 -2.847
526 2HD PRO 67 HD3 PRO 67 -13.040 -1.671 -1.671
527 H SER 68 HN SER 68 -13.571 -2.448 -2.448
528 HA SER 68 HA SER 68 -13.639 -2.137 -2.137
529 1HB SER 68 HB2 SER 68 -13.243 -4.400 -4.400
530 2HB SER 68 HB3 SER 68 -12.512 -4.702 -4.702
531 HG SER 68 HG SER 68 -15.199 -4.596 -4.596
532 H SER 69 HN SER 69 -12.039 -3.259 -3.259
533 HA SER 69 HA SER 69 -9.959 -1.745 -1.745
534 1HB SER 69 HB2 SER 69 -8.865 -3.781 -3.781
535 2HB SER 69 HB3 SER 69 -10.502 -3.395 -3.395
536 HG SER 69 HG SER 69 -11.310 -5.140 -5.140
537 H ALA 70 HN ALA 70 -9.994 -4.541 -4.541
538 HA ALA 70 HA ALA 70 -8.323 -3.654 -3.654
539 1HB ALA 70 HB2 ALA 70 -6.807 -4.207 -4.207
540 2HB ALA 70 HB3 ALA 70 -6.154 -5.018 -5.018
541 3HB ALA 70 HB1 ALA 70 -6.352 -3.249 -3.249
542 H VAL 71 HN VAL 71 -9.769 -5.064 -5.064
543 HA VAL 71 HA VAL 71 -9.472 -7.904 -7.904
544 HB VAL 71 HB VAL 71 -11.566 -8.156 -8.156
545 1HG1 VAL 71 HG13 VAL 71 -11.515 -6.061 -6.061
546 2HG1 VAL 71 HG11 VAL 71 -11.830 -5.148 -5.148
547 3HG1 VAL 71 HG12 VAL 71 -12.992 -6.379 -6.379
548 1HG2 VAL 71 HG21 VAL 71 -10.771 -6.285 -6.285
549 2HG2 VAL 71 HG22 VAL 71 -11.315 -7.978 -7.978
550 3HG2 VAL 71 HG23 VAL 71 -12.485 -6.683 -6.683
551 H CYS 72 HN CYS 72 -8.953 -5.429 -5.429
552 HA CYS 72 HA CYS 72 -7.343 -7.436 -7.436
553 1HB CYS 72 HB2 CYS 72 -8.965 -5.324 -5.324
554 2HB CYS 72 HB3 CYS 72 -8.059 -6.645 -6.645
555 H GLY 73 HN GLY 73 -6.799 -5.294 -5.294
556 1HA GLY 73 HA1 GLY 73 -4.548 -4.089 -4.089
557 2HA GLY 73 HA2 GLY 73 -5.813 -2.933 -2.933
558 H VAL 74 HN VAL 74 -4.280 -1.906 -1.906
559 HA VAL 74 HA VAL 74 -4.014 -3.449 -3.449
560 HB VAL 74 HB VAL 74 -2.277 -1.234 -1.234
561 1HG1 VAL 74 HG11 VAL 74 -2.069 -2.839 -2.839
562 2HG1 VAL 74 HG12 VAL 74 -0.780 -1.797 -1.797
563 3HG1 VAL 74 HG13 VAL 74 -2.336 -1.086 -1.086
564 1HG2 VAL 74 HG22 VAL 74 -2.243 -3.719 -3.719
565 2HG2 VAL 74 HG23 VAL 74 -0.740 -2.802 -2.802
566 3HG2 VAL 74 HG21 VAL 74 -1.275 -4.006 -4.006
567 H SER 75 HN SER 75 -5.603 -0.891 -0.891
568 HA SER 75 HA SER 75 -6.606 0.955 0.955
569 1HB SER 75 HB2 SER 75 -7.773 -1.323 -1.323
570 2HB SER 75 HB3 SER 75 -7.686 -0.230 -0.230
571 HG SER 75 HG SER 75 -9.601 0.330 0.330
572 H LEU 76 HN LEU 76 -4.638 2.191 2.191
573 HA LEU 76 HA LEU 76 -4.101 2.340 2.340
574 1HB LEU 76 HB2 LEU 76 -2.352 3.778 3.778
575 2HB LEU 76 HB3 LEU 76 -1.960 2.813 2.813
576 HG LEU 76 HG LEU 76 -2.667 0.800 0.800
577 1HD1 LEU 76 HD12 LEU 76 -3.103 2.834 2.834
578 2HD1 LEU 76 HD13 LEU 76 -1.463 2.301 2.301
579 3HD1 LEU 76 HD11 LEU 76 -2.807 1.133 1.133
580 1HD2 LEU 76 HD23 LEU 76 -0.212 2.057 2.057
581 2HD2 LEU 76 HD21 LEU 76 -0.526 0.347 0.347
582 3HD2 LEU 76 HD22 LEU 76 -0.073 1.477 1.477
583 H ASP 77 HN ASP 77 -4.631 4.133 4.133
584 HA ASP 77 HA ASP 77 -5.922 6.236 6.236
585 1HB ASP 77 HB2 ASP 77 -6.904 6.890 6.890
586 2HB ASP 77 HB3 ASP 77 -7.326 5.261 5.261
587 H VAL 78 HN VAL 78 -2.985 5.408 5.408
588 HA VAL 78 HA VAL 78 -1.159 6.558 6.558
589 HB VAL 78 HB VAL 78 -2.809 8.699 8.699
590 1HG1 VAL 78 HG11 VAL 78 -0.343 9.117 9.117
591 2HG1 VAL 78 HG12 VAL 78 -0.600 10.106 10.106
592 3HG1 VAL 78 HG13 VAL 78 -1.804 10.124 10.124
593 1HG2 VAL 78 HG23 VAL 78 -0.252 7.214 7.214
594 2HG2 VAL 78 HG21 VAL 78 -1.766 7.287 7.287
595 3HG2 VAL 78 HG22 VAL 78 -0.701 8.711 8.711
596 H GLY 79 HN GLY 79 -4.125 8.421 8.421
597 1HA GLY 79 HA1 GLY 79 -3.177 9.677 9.677
598 2HA GLY 79 HA2 GLY 79 -4.820 9.108 9.108
599 H GLY 80 HN GLY 80 -3.309 6.269 6.269
600 1HA GLY 80 HA1 GLY 80 -3.157 5.756 5.756
601 2HA GLY 80 HA2 GLY 80 -3.878 4.653 4.653
602 H LYS 81 HN LYS 81 -1.704 5.464 5.464
603 HA LYS 81 HA LYS 81 0.396 3.775 3.775
604 1HB LYS 81 HB2 LYS 81 0.629 3.817 3.817
605 2HB LYS 81 HB3 LYS 81 0.167 2.477 2.477
606 1HG LYS 81 HG2 LYS 81 -1.807 4.599 4.599
607 2HG LYS 81 HG3 LYS 81 -1.525 3.099 3.099
608 1HD LYS 81 HD2 LYS 81 -2.554 1.792 1.792
609 2HD LYS 81 HD3 LYS 81 -2.123 2.881 2.881
610 1HE LYS 81 HE2 LYS 81 -4.225 3.732 3.732
611 2HE LYS 81 HE3 LYS 81 -3.822 4.419 4.419
612 1HZ LYS 81 HZ2 LYS 81 -4.417 2.171 2.171
613 2HZ LYS 81 HZ3 LYS 81 -5.080 1.832 1.832
614 3HZ LYS 81 HZ1 LYS 81 -5.660 3.071 3.071
615 H LYS 82 HN LYS 82 0.617 5.671 5.671
616 HA LYS 82 HA LYS 82 1.626 8.021 8.021
617 1HB LYS 82 HB2 LYS 82 4.154 7.553 7.553
618 2HB LYS 82 HB3 LYS 82 3.321 7.181 7.181
619 1HG LYS 82 HG2 LYS 82 3.086 4.849 4.849
620 2HG LYS 82 HG3 LYS 82 4.749 5.382 5.382
621 1HD LYS 82 HD2 LYS 82 5.224 4.575 4.575
622 2HD LYS 82 HD3 LYS 82 4.016 5.624 5.624
623 1HE LYS 82 HE2 LYS 82 2.414 3.954 3.954
624 2HE LYS 82 HE3 LYS 82 2.938 3.212 3.212
625 1HZ LYS 82 HZ2 LYS 82 4.940 3.007 3.007
626 2HZ LYS 82 HZ3 LYS 82 3.538 2.384 2.384
627 3HZ LYS 82 HZ1 LYS 82 4.187 1.818 1.818
628 H GLU 83 HN GLU 83 3.663 5.823 5.823
629 HA GLU 83 HA GLU 83 2.319 6.700 6.700
630 1HB GLU 83 HB2 GLU 83 5.298 7.249 7.249
631 2HB GLU 83 HB3 GLU 83 4.165 7.824 7.824
632 1HG GLU 83 HG2 GLU 83 4.462 9.718 9.718
633 2HG GLU 83 HG3 GLU 83 2.960 9.039 9.039
634 H TYR 84 HN TYR 84 2.820 5.359 5.359
635 HA TYR 84 HA TYR 84 4.485 3.028 3.028
636 1HB TYR 84 HB2 TYR 84 2.733 1.797 1.797
637 2HB TYR 84 HB3 TYR 84 2.065 2.476 2.476
638 HD1 TYR 84 HD2 TYR 84 2.721 3.672 3.672
639 HD2 TYR 84 HD1 TYR 84 -0.019 3.448 3.448
640 HE1 TYR 84 HE2 TYR 84 0.979 4.925 4.925
641 HE2 TYR 84 HE1 TYR 84 -1.753 4.702 4.702
642 HH TYR 84 HH TYR 84 -2.221 4.992 4.992
643 H LEU 85 HN LEU 85 5.496 1.945 1.945
644 HA LEU 85 HA LEU 85 6.256 3.885 3.885
645 1HB LEU 85 HB2 LEU 85 7.881 2.136 2.136
646 2HB LEU 85 HB3 LEU 85 8.023 2.687 2.687
647 HG LEU 85 HG LEU 85 8.196 0.137 0.137
648 1HD1 LEU 85 HD11 LEU 85 7.855 1.540 1.540
649 2HD1 LEU 85 HD12 LEU 85 6.477 0.413 0.413
650 3HD1 LEU 85 HD13 LEU 85 8.135 -0.215 -0.215
651 1HD2 LEU 85 HD22 LEU 85 6.042 0.031 0.031
652 2HD2 LEU 85 HD23 LEU 85 6.104 -1.084 -1.084
653 3HD2 LEU 85 HD21 LEU 85 5.199 0.445 0.445
654 H ILE 86 HN ILE 86 3.578 2.060 2.060
655 HA ILE 86 HA ILE 86 2.593 0.509 0.509
656 HB ILE 86 HB ILE 86 2.031 3.328 3.328
657 1HG1 ILE 86 HG12 ILE 86 -0.246 2.577 2.577
658 2HG1 ILE 86 HG13 ILE 86 0.162 0.990 0.990
659 1HG2 ILE 86 HG21 ILE 86 1.645 1.849 1.849
660 2HG2 ILE 86 HG22 ILE 86 0.565 3.177 3.177
661 3HG2 ILE 86 HG23 ILE 86 2.309 3.476 3.476
662 1HD1 ILE 86 HD12 ILE 86 1.859 1.604 1.604
663 2HD1 ILE 86 HD13 ILE 86 0.145 1.822 1.822
664 3HD1 ILE 86 HD11 ILE 86 0.710 0.261 0.261
665 H ALA 87 HN ALA 87 3.722 -0.865 -0.865
666 HA ALA 87 HA ALA 87 4.706 0.301 0.301
667 1HB ALA 87 HB3 ALA 87 6.126 -1.276 -1.276
668 2HB ALA 87 HB1 ALA 87 6.363 -1.842 -1.842
669 3HB ALA 87 HB2 ALA 87 6.769 -0.165 -0.165
670 H GLY 88 HN GLY 88 3.303 -0.414 -0.414
671 1HA GLY 88 HA1 GLY 88 2.752 -3.299 -3.299
672 2HA GLY 88 HA2 GLY 88 1.404 -2.180 -2.180
673 H LYS 89 HN LYS 89 1.503 -3.766 -3.766
674 HA LYS 89 HA LYS 89 3.111 -3.220 -3.220
675 1HB LYS 89 HB2 LYS 89 1.249 -3.919 -3.919
676 2HB LYS 89 HB3 LYS 89 1.399 -4.945 -4.945
677 1HG LYS 89 HG2 LYS 89 -0.327 -2.905 -2.905
678 2HG LYS 89 HG3 LYS 89 -0.819 -3.170 -3.170
679 1HD LYS 89 HD2 LYS 89 -1.504 -5.366 -5.366
680 2HD LYS 89 HD3 LYS 89 -0.339 -5.617 -5.617
681 1HE LYS 89 HE2 LYS 89 -2.001 -5.232 -5.232
682 2HE LYS 89 HE3 LYS 89 -2.017 -3.558 -3.558
683 1HZ LYS 89 HZ3 LYS 89 -3.396 -5.234 -5.234
684 2HZ LYS 89 HZ1 LYS 89 -4.025 -5.342 -5.342
685 3HZ LYS 89 HZ2 LYS 89 -3.916 -3.889 -3.889
686 H ALA 90 HN ALA 90 0.533 -1.175 -1.175
687 HA ALA 90 HA ALA 90 0.257 1.033 1.033
688 1HB ALA 90 HB1 ALA 90 2.810 0.886 0.886
689 2HB ALA 90 HB2 ALA 90 2.125 1.264 1.264
690 3HB ALA 90 HB3 ALA 90 1.868 2.377 2.377
691 H GLU 91 HN GLU 91 -0.475 2.667 2.667
692 HA GLU 91 HA GLU 91 -1.799 1.069 1.069
693 1HB GLU 91 HB2 GLU 91 -3.248 1.774 1.774
694 2HB GLU 91 HB3 GLU 91 -3.296 3.337 3.337
695 1HG GLU 91 HG2 GLU 91 -5.239 2.098 2.098
696 2HG GLU 91 HG3 GLU 91 -4.132 2.191 2.191
697 H GLY 92 HN GLY 92 0.441 3.343 3.343
698 1HA GLY 92 HA1 GLY 92 1.179 4.380 4.380
699 2HA GLY 92 HA2 GLY 92 -0.411 5.115 5.115
700 H ASP 93 HN ASP 93 -0.483 7.196 7.196
701 HA ASP 93 HA ASP 93 1.268 7.852 7.852
702 1HB ASP 93 HB2 ASP 93 1.131 9.051 9.051
703 2HB ASP 93 HB3 ASP 93 1.016 10.238 10.238
704 H GLY 94 HN GLY 94 0.309 9.381 9.381
705 1HA GLY 94 HA1 GLY 94 -1.286 10.719 10.719
706 2HA GLY 94 HA2 GLY 94 -2.131 10.755 10.755
707 H LYS 95 HN LYS 95 -1.543 7.511 7.511
708 HA LYS 95 HA LYS 95 -3.339 6.840 6.840
709 1HB LYS 95 HB2 LYS 95 -5.374 6.442 6.442
710 2HB LYS 95 HB3 LYS 95 -4.890 7.967 7.967
711 1HG LYS 95 HG2 LYS 95 -4.345 5.255 5.255
712 2HG LYS 95 HG3 LYS 95 -5.754 6.232 6.232
713 1HD LYS 95 HD2 LYS 95 -2.845 7.081 7.081
714 2HD LYS 95 HD3 LYS 95 -3.954 6.612 6.612
715 1HE LYS 95 HE2 LYS 95 -4.086 9.084 9.084
716 2HE LYS 95 HE3 LYS 95 -3.954 9.020 9.020
717 1HZ LYS 95 HZ1 LYS 95 -6.163 7.954 7.954
718 2HZ LYS 95 HZ2 LYS 95 -6.281 8.234 8.234
719 3HZ LYS 95 HZ3 LYS 95 -6.178 9.487 9.487
720 H MET 96 HN MET 96 -3.156 4.651 4.651
721 HA MET 96 HA MET 96 -2.062 2.996 2.996
722 1HB MET 96 HB2 MET 96 -0.519 2.100 2.100
723 2HB MET 96 HB3 MET 96 0.017 3.398 3.398
724 1HG MET 96 HG2 MET 96 -0.179 4.989 4.989
725 2HG MET 96 HG3 MET 96 -1.682 4.325 4.325
726 1HE MET 96 HE1 MET 96 1.854 4.728 4.728
727 2HE MET 96 HE2 MET 96 1.500 5.130 5.130
728 3HE MET 96 HE3 MET 96 2.519 3.723 3.723
729 H HIS 97 HN HIS 97 -1.555 0.673 0.673
730 HA HIS 97 HA HIS 97 -4.105 0.222 0.222
731 1HB HIS 97 HB2 HIS 97 -3.137 -0.985 -0.985
732 2HB HIS 97 HB3 HIS 97 -3.454 -2.197 -2.197
733 HD1 HIS 97 HD1 HIS 97 -5.436 -2.867 -2.867
734 HD2 HIS 97 HD2 HIS 97 -5.909 0.736 0.736
735 HE1 HIS 97 HE1 HIS 97 -7.902 -2.242 -2.242
736 H ILE 98 HN ILE 98 -3.920 -0.816 -0.816
737 HA ILE 98 HA ILE 98 -1.488 -2.332 -2.332
738 HB ILE 98 HB ILE 98 -1.053 -1.179 -1.179
739 1HG1 ILE 98 HG12 ILE 98 -3.361 0.609 0.609
740 2HG1 ILE 98 HG13 ILE 98 -3.252 -0.415 -0.415
741 1HG2 ILE 98 HG21 ILE 98 -0.222 -0.412 -0.412
742 2HG2 ILE 98 HG22 ILE 98 -1.130 1.059 1.059
743 3HG2 ILE 98 HG23 ILE 98 0.192 0.495 0.495
744 1HD1 ILE 98 HD13 ILE 98 -1.111 1.670 1.670
745 2HD1 ILE 98 HD11 ILE 98 -2.703 2.178 2.178
746 3HD1 ILE 98 HD12 ILE 98 -1.734 0.997 0.997
747 H THR 99 HN THR 99 -1.832 -4.104 -4.104
748 HA THR 99 HA THR 99 -4.427 -4.249 -4.249
749 HB THR 99 HB THR 99 -4.196 -6.785 -6.785
750 HG1 THR 99 HG1 THR 99 -3.089 -4.853 -4.853
751 1HG2 THR 99 HG23 THR 99 -5.534 -4.302 -4.302
752 2HG2 THR 99 HG21 THR 99 -5.336 -5.595 -5.595
753 3HG2 THR 99 HG22 THR 99 -6.225 -5.914 -5.914
754 H LEU 100 HN LEU 100 -4.516 -6.011 -6.011
755 HA LEU 100 HA LEU 100 -2.368 -5.815 -5.815
756 1HB LEU 100 HB2 LEU 100 -3.584 -7.116 -7.116
757 2HB LEU 100 HB3 LEU 100 -4.841 -6.527 -6.527
758 HG LEU 100 HG LEU 100 -3.502 -9.207 -9.207
759 1HD1 LEU 100 HD11 LEU 100 -5.628 -8.416 -8.416
760 2HD1 LEU 100 HD12 LEU 100 -5.847 -9.943 -9.943
761 3HD1 LEU 100 HD13 LEU 100 -4.392 -9.693 -9.693
762 1HD2 LEU 100 HD23 LEU 100 -5.024 -7.827 -7.827
763 2HD2 LEU 100 HD21 LEU 100 -5.008 -9.604 -9.604
764 3HD2 LEU 100 HD22 LEU 100 -6.300 -8.681 -8.681
765 H CYS 101 HN CYS 101 -3.243 -8.454 -8.454
766 HA CYS 101 HA CYS 101 -1.129 -10.117 -10.117
767 1HB CYS 101 HB2 CYS 101 -3.212 -10.590 -10.590
768 2HB CYS 101 HB3 CYS 101 -2.321 -9.907 -9.907
769 H ASP 102 HN ASP 102 -1.406 -7.199 -7.199
770 HA ASP 102 HA ASP 102 1.020 -7.597 -7.597
771 1HB ASP 102 HB2 ASP 102 -1.073 -5.983 -5.983
772 2HB ASP 102 HB3 ASP 102 -0.137 -4.853 -4.853
773 H PHE 103 HN PHE 103 2.863 -5.832 -5.832
774 HA PHE 103 HA PHE 103 3.781 -5.946 -5.946
775 1HB PHE 103 HB2 PHE 103 5.347 -5.995 -5.995
776 2HB PHE 103 HB3 PHE 103 4.597 -4.604 -4.604
777 HD1 PHE 103 HD2 PHE 103 5.155 -4.418 -4.418
778 HD2 PHE 103 HD1 PHE 103 6.873 -3.647 -3.647
779 HE1 PHE 103 HE2 PHE 103 6.856 -2.916 -2.916
780 HE2 PHE 103 HE1 PHE 103 8.574 -2.145 -2.145
781 HZ PHE 103 HZ PHE 103 8.545 -1.797 -1.797
782 H ILE 104 HN ILE 104 3.228 -4.622 -4.622
783 HA ILE 104 HA ILE 104 3.189 -1.813 -1.813
784 HB ILE 104 HB ILE 104 0.739 -1.682 -1.682
785 1HG1 ILE 104 HG12 ILE 104 0.706 -4.353 -4.353
786 2HG1 ILE 104 HG13 ILE 104 0.361 -4.077 -4.077
787 1HG2 ILE 104 HG22 ILE 104 1.967 -1.198 -1.198
788 2HG2 ILE 104 HG23 ILE 104 0.671 -2.318 -2.318
789 3HG2 ILE 104 HG21 ILE 104 0.271 -0.812 -0.812
790 1HD1 ILE 104 HD13 ILE 104 -1.507 -2.473 -2.473
791 2HD1 ILE 104 HD11 ILE 104 -1.253 -3.137 -3.137
792 3HD1 ILE 104 HD12 ILE 104 -1.775 -4.206 -4.206
793 H VAL 105 HN VAL 105 3.648 -0.836 -0.836
794 HA VAL 105 HA VAL 105 2.966 -2.155 -2.155
795 HB VAL 105 HB VAL 105 5.657 -1.806 -1.806
796 1HG1 VAL 105 HG13 VAL 105 3.903 -3.714 -3.714
797 2HG1 VAL 105 HG11 VAL 105 4.666 -4.496 -4.496
798 3HG1 VAL 105 HG12 VAL 105 5.652 -4.049 -4.049
799 1HG2 VAL 105 HG22 VAL 105 5.278 -2.991 -2.991
800 2HG2 VAL 105 HG23 VAL 105 6.188 -1.524 -1.524
801 3HG2 VAL 105 HG21 VAL 105 6.771 -3.121 -3.121
802 HA PRO 106 HA PRO 106 3.120 1.973 1.973
803 1HB PRO 106 HB2 PRO 106 3.408 1.746 1.746
804 2HB PRO 106 HB3 PRO 106 1.875 1.532 1.532
805 1HG PRO 106 HG2 PRO 106 3.659 -0.520 -0.520
806 2HG PRO 106 HG3 PRO 106 1.966 -0.655 -0.655
807 1HD PRO 106 HD2 PRO 106 4.202 -1.681 -1.681
808 2HD PRO 106 HD3 PRO 106 2.520 -1.714 -1.714
809 H TRP 107 HN TRP 107 5.749 0.323 0.323
810 HA TRP 107 HA TRP 107 7.880 0.920 0.920
811 1HB TRP 107 HB2 TRP 107 6.928 3.170 3.170
812 2HB TRP 107 HB3 TRP 107 7.132 3.639 3.639
813 HD1 TRP 107 HD1 TRP 107 9.583 1.964 1.964
814 HE1 TRP 107 HE1 TRP 107 11.925 3.179 3.179
815 HE3 TRP 107 HE3 TRP 107 8.324 5.393 5.393
816 HZ2 TRP 107 HZ2 TRP 107 12.965 5.388 5.388
817 HZ3 TRP 107 HZ3 TRP 107 10.061 7.043 7.043
818 HH2 TRP 107 HH2 TRP 107 12.315 7.078 7.078
819 H ASP 108 HN ASP 108 6.485 2.520 2.520
820 HA ASP 108 HA ASP 108 8.723 1.922 1.922
821 1HB ASP 108 HB2 ASP 108 6.773 3.648 3.648
822 2HB ASP 108 HB3 ASP 108 5.917 2.313 2.313
823 H THR 109 HN THR 109 8.269 -0.498 -0.498
824 HA THR 109 HA THR 109 7.646 -2.202 -2.202
825 HB THR 109 HB THR 109 5.860 -3.434 -3.434
826 HG1 THR 109 HG1 THR 109 6.046 -2.330 -2.330
827 1HG2 THR 109 HG22 THR 109 5.326 -1.877 -1.877
828 2HG2 THR 109 HG23 THR 109 5.068 -0.595 -0.595
829 3HG2 THR 109 HG21 THR 109 4.043 -2.049 -2.049
830 H LEU 110 HN LEU 110 7.991 -2.127 -2.127
831 HA LEU 110 HA LEU 110 8.868 -4.040 -4.040
832 1HB LEU 110 HB2 LEU 110 11.103 -2.202 -2.202
833 2HB LEU 110 HB3 LEU 110 11.142 -3.286 -3.286
834 HG LEU 110 HG LEU 110 9.166 -1.009 -1.009
835 1HD1 LEU 110 HD13 LEU 110 11.814 -1.083 -1.083
836 2HD1 LEU 110 HD11 LEU 110 10.580 0.186 0.186
837 3HD1 LEU 110 HD12 LEU 110 11.380 -0.060 -0.060
838 1HD2 LEU 110 HD23 LEU 110 9.179 -3.233 -3.233
839 2HD2 LEU 110 HD21 LEU 110 8.182 -1.763 -1.763
840 3HD2 LEU 110 HD22 LEU 110 9.738 -1.861 -1.861
841 H SER 111 HN SER 111 11.896 -3.688 -3.688
842 HA SER 111 HA SER 111 12.020 -5.075 -5.075
843 1HB SER 111 HB2 SER 111 11.037 -6.983 -6.983
844 2HB SER 111 HB3 SER 111 12.203 -7.595 -7.595
845 HG SER 111 HG SER 111 9.612 -6.437 -6.437
846 H THR 112 HN THR 112 12.990 -5.408 -5.408
847 HA THR 112 HA THR 112 15.482 -4.524 -4.524
848 HB THR 112 HB THR 112 15.302 -7.131 -7.131
849 HG1 THR 112 HG1 THR 112 17.224 -6.026 -6.026
850 1HG2 THR 112 HG23 THR 112 17.410 -6.518 -6.518
851 2HG2 THR 112 HG21 THR 112 17.806 -7.476 -7.476
852 3HG2 THR 112 HG22 THR 112 16.574 -8.060 -8.060
853 H THR 113 HN THR 113 14.298 -7.844 -7.844
854 HA THR 113 HA THR 113 15.466 -7.955 -7.955
855 HB THR 113 HB THR 113 12.830 -9.075 -9.075
856 HG1 THR 113 HG1 THR 113 14.637 -9.940 -9.940
857 1HG2 THR 113 HG22 THR 113 14.471 -9.879 -9.879
858 2HG2 THR 113 HG23 THR 113 13.153 -10.847 -10.847
859 3HG2 THR 113 HG21 THR 113 12.802 -9.259 -9.259
860 H GLN 114 HN GLN 114 12.844 -5.894 -5.894
861 HA GLN 114 HA GLN 114 12.015 -5.449 -5.449
862 1HB GLN 114 HB2 GLN 114 11.036 -4.606 -4.606
863 2HB GLN 114 HB3 GLN 114 10.574 -3.631 -3.631
864 1HG GLN 114 HG2 GLN 114 8.858 -5.142 -5.142
865 2HG GLN 114 HG3 GLN 114 10.053 -6.118 -6.118
866 1HE2 GLN 114 HE22 GLN 114 10.826 -8.142 -8.142
867 2HE2 GLN 114 HE21 GLN 114 11.625 -7.218 -7.218
868 H LYS 115 HN LYS 115 13.900 -3.895 -3.895
869 HA LYS 115 HA LYS 115 14.093 -1.376 -1.376
870 1HB LYS 115 HB2 LYS 115 15.031 -2.670 -2.670
871 2HB LYS 115 HB3 LYS 115 16.312 -1.724 -1.724
872 1HG LYS 115 HG2 LYS 115 15.190 0.292 0.292
873 2HG LYS 115 HG3 LYS 115 13.607 -0.431 -0.431
874 1HD LYS 115 HD2 LYS 115 15.365 -0.449 -0.449
875 2HD LYS 115 HD3 LYS 115 13.741 0.190 0.190
876 1HE LYS 115 HE2 LYS 115 13.077 -2.297 -2.297
877 2HE LYS 115 HE3 LYS 115 14.615 -2.714 -2.714
878 1HZ LYS 115 HZ2 LYS 115 13.808 -1.285 -1.285
879 2HZ LYS 115 HZ3 LYS 115 12.319 -1.422 -1.422
880 3HZ LYS 115 HZ1 LYS 115 13.127 -2.759 -2.759
881 H LYS 116 HN LYS 116 16.005 -4.411 -4.411
882 HA LYS 116 HA LYS 116 18.193 -3.359 -3.359
883 1HB LYS 116 HB2 LYS 116 18.819 -5.630 -5.630
884 2HB LYS 116 HB3 LYS 116 18.105 -5.535 -5.535
885 1HG LYS 116 HG2 LYS 116 16.561 -7.086 -7.086
886 2HG LYS 116 HG3 LYS 116 15.962 -6.040 -6.040
887 1HD LYS 116 HD2 LYS 116 18.501 -7.608 -7.608
888 2HD LYS 116 HD3 LYS 116 16.966 -8.451 -8.451
889 1HE LYS 116 HE2 LYS 116 16.512 -7.576 -7.576
890 2HE LYS 116 HE3 LYS 116 16.740 -5.942 -5.942
891 1HZ LYS 116 HZ1 LYS 116 18.967 -7.713 -7.713
892 2HZ LYS 116 HZ2 LYS 116 18.303 -6.632 -6.632
893 3HZ LYS 116 HZ3 LYS 116 19.049 -6.117 -6.117
894 H SER 117 HN SER 117 14.908 -4.131 -4.131
895 HA SER 117 HA SER 117 15.656 -4.221 -4.221
896 1HB SER 117 HB2 SER 117 13.587 -5.345 -5.345
897 2HB SER 117 HB3 SER 117 12.776 -4.021 -4.021
898 HG SER 117 HG SER 117 13.878 -6.388 -6.388
899 H LEU 118 HN LEU 118 14.988 -1.865 -1.865
900 HA LEU 118 HA LEU 118 13.677 -0.015 -0.015
901 1HB LEU 118 HB2 LEU 118 14.595 0.126 0.126
902 2HB LEU 118 HB3 LEU 118 13.947 1.511 1.511
903 HG LEU 118 HG LEU 118 12.342 -1.020 -1.020
904 1HD1 LEU 118 HD12 LEU 118 13.222 0.360 0.360
905 2HD1 LEU 118 HD13 LEU 118 11.463 0.560 0.560
906 3HD1 LEU 118 HD11 LEU 118 12.175 -1.072 -1.072
907 1HD2 LEU 118 HD23 LEU 118 11.939 1.797 1.797
908 2HD2 LEU 118 HD21 LEU 118 11.012 0.354 0.354
909 3HD2 LEU 118 HD22 LEU 118 10.683 1.148 1.148
910 H ASN 119 HN ASN 119 16.755 -1.213 -1.213
911 HA ASN 119 HA ASN 119 18.223 1.184 1.184
912 1HB ASN 119 HB2 ASN 119 18.777 -1.712 -1.712
913 2HB ASN 119 HB3 ASN 119 19.951 -0.498 -0.498
914 1HD2 ASN 119 HD22 ASN 119 19.826 -1.936 -1.936
915 2HD2 ASN 119 HD21 ASN 119 19.003 -2.594 -2.594
916 H HIS 120 HN HIS 120 17.358 -1.264 -1.264
917 HA HIS 120 HA HIS 120 18.283 0.371 0.371
918 1HB HIS 120 HB2 HIS 120 16.788 -2.205 -2.205
919 2HB HIS 120 HB3 HIS 120 16.726 -1.374 -1.374
920 HD1 HIS 120 HD1 HIS 120 19.940 -0.825 -0.825
921 HD2 HIS 120 HD2 HIS 120 18.304 -3.696 -3.696
922 HE1 HIS 120 HE1 HIS 120 21.910 -2.145 -2.145
923 H ARG 121 HN ARG 121 15.123 -0.861 -0.861
924 HA ARG 121 HA ARG 121 13.881 1.658 1.658
925 1HB ARG 121 HB2 ARG 121 13.519 0.599 0.599
926 2HB ARG 121 HB3 ARG 121 13.282 2.229 2.229
927 1HG ARG 121 HG2 ARG 121 15.971 1.870 1.870
928 2HG ARG 121 HG3 ARG 121 15.783 0.893 0.893
929 1HD ARG 121 HD2 ARG 121 14.391 3.495 3.495
930 2HD ARG 121 HD3 ARG 121 16.113 3.677 3.677
931 HE ARG 121 HE ARG 121 15.896 1.700 1.700
932 1HH1 ARG 121 HH22 ARG 121 14.926 5.065 5.065
933 2HH1 ARG 121 HH21 ARG 121 15.030 5.406 5.406
934 1HH2 ARG 121 HH12 ARG 121 16.034 2.150 2.150
935 2HH2 ARG 121 HH11 ARG 121 15.665 3.736 3.736
936 H TYR 122 HN TYR 122 13.192 -1.158 -1.158
937 HA TYR 122 HA TYR 122 11.044 -1.956 -1.956
938 1HB TYR 122 HB2 TYR 122 9.497 -1.962 -1.962
939 2HB TYR 122 HB3 TYR 122 10.366 -0.448 -0.448
940 HD1 TYR 122 HD1 TYR 122 12.370 -0.383 -0.383
941 HD2 TYR 122 HD2 TYR 122 9.492 -3.547 -3.547
942 HE1 TYR 122 HE1 TYR 122 13.056 -1.045 -1.045
943 HE2 TYR 122 HE2 TYR 122 10.188 -4.199 -4.199
944 HH TYR 122 HH TYR 122 12.823 -3.589 -3.589
945 H GLN 123 HN GLN 123 13.905 -2.792 -2.792
946 HA GLN 123 HA GLN 123 13.274 -5.553 -5.553
947 1HB GLN 123 HB2 GLN 123 12.952 -4.545 -4.545
948 2HB GLN 123 HB3 GLN 123 14.656 -4.948 -4.948
949 1HG GLN 123 HG2 GLN 123 13.298 -7.140 -7.140
950 2HG GLN 123 HG3 GLN 123 12.384 -6.729 -6.729
951 1HE2 GLN 123 HE22 GLN 123 14.942 -9.226 -9.226
952 2HE2 GLN 123 HE21 GLN 123 13.583 -9.123 -9.123
953 H MET 124 HN MET 124 14.758 -4.882 -4.882
954 HA MET 124 HA MET 124 17.368 -4.071 -4.071
955 1HB MET 124 HB2 MET 124 15.724 -4.531 -4.531
956 2HB MET 124 HB3 MET 124 17.057 -5.651 -5.651
957 1HG MET 124 HG2 MET 124 17.923 -2.947 -2.947
958 2HG MET 124 HG3 MET 124 17.108 -2.946 -2.946
959 1HE MET 124 HE1 MET 124 19.888 -2.163 -2.163
960 2HE MET 124 HE2 MET 124 21.158 -2.988 -2.988
961 3HE MET 124 HE3 MET 124 20.744 -3.556 -3.556
962 H GLY 125 HN GLY 125 17.233 -5.943 -5.943
963 1HA GLY 125 HA1 GLY 125 17.926 -7.971 -7.971
964 2HA GLY 125 HA2 GLY 125 19.334 -7.589 -7.589
965 H CYS 126 HN CYS 126 16.154 -8.030 -8.030
966 HA CYS 126 HA CYS 126 17.137 -9.960 -9.960
967 1HB CYS 126 HB2 CYS 126 15.122 -9.845 -9.845
968 2HB CYS 126 HB3 CYS 126 15.062 -8.350 -8.350
969 H GLU 127 HN GLU 127 15.272 -12.052 -12.052
970 HA GLU 127 HA GLU 127 14.660 -13.191 -13.191
971 1HB GLU 127 HB2 GLU 127 17.145 -13.301 -13.301
972 2HB GLU 127 HB3 GLU 127 17.268 -14.266 -14.266
973 1HG GLU 127 HG2 GLU 127 16.880 -16.130 -16.130
974 2HG GLU 127 HG3 GLU 127 15.271 -15.536 -15.536
Start of MODEL 48
1 H CYS 1 HN CYS 1 -7.394 -8.973 -8.973
2 HA CYS 1 HA CYS 1 -9.850 -9.154 -9.154
3 1HB CYS 1 HB2 CYS 1 -9.594 -10.869 -10.869
4 2HB CYS 1 HB3 CYS 1 -11.030 -10.701 -10.701
5 H SER 2 HN SER 2 -9.182 -10.127 -10.127
6 HA SER 2 HA SER 2 -8.365 -11.618 -11.618
7 1HB SER 2 HB2 SER 2 -9.184 -14.083 -14.083
8 2HB SER 2 HB3 SER 2 -9.940 -13.231 -13.231
9 HG SER 2 HG SER 2 -11.559 -12.961 -12.961
10 H CYS 3 HN CYS 3 -6.691 -10.937 -10.937
11 HA CYS 3 HA CYS 3 -5.370 -13.248 -13.248
12 1HB CYS 3 HB2 CYS 3 -4.904 -10.320 -10.320
13 2HB CYS 3 HB3 CYS 3 -3.500 -11.347 -11.347
14 H SER 4 HN SER 4 -2.791 -13.353 -13.353
15 HA SER 4 HA SER 4 -2.478 -13.081 -13.081
16 1HB SER 4 HB2 SER 4 -1.236 -15.151 -15.151
17 2HB SER 4 HB3 SER 4 -2.734 -15.462 -15.462
18 HG SER 4 HG SER 4 -1.247 -14.841 -14.841
19 HA PRO 5 HA PRO 5 0.864 -10.638 -10.638
20 1HB PRO 5 HB2 PRO 5 1.327 -9.215 -9.215
21 2HB PRO 5 HB3 PRO 5 0.161 -8.726 -8.726
22 1HG PRO 5 HG2 PRO 5 -0.322 -9.938 -9.938
23 2HG PRO 5 HG3 PRO 5 -1.441 -9.066 -9.066
24 1HD PRO 5 HD2 PRO 5 -1.314 -11.907 -11.907
25 2HD PRO 5 HD3 PRO 5 -2.354 -11.043 -11.043
26 H VAL 6 HN VAL 6 2.899 -11.266 -11.266
27 HA VAL 6 HA VAL 6 4.387 -12.138 -12.138
28 HB VAL 6 HB VAL 6 3.068 -14.132 -14.132
29 1HG1 VAL 6 HG13 VAL 6 4.091 -13.325 -13.325
30 2HG1 VAL 6 HG11 VAL 6 4.678 -14.963 -14.963
31 3HG1 VAL 6 HG12 VAL 6 2.931 -14.618 -14.618
32 1HG2 VAL 6 HG21 VAL 6 5.987 -13.940 -13.940
33 2HG2 VAL 6 HG22 VAL 6 4.790 -14.974 -14.974
34 3HG2 VAL 6 HG23 VAL 6 5.439 -15.449 -15.449
35 H HIS 7 HN HIS 7 6.010 -13.642 -13.642
36 HA HIS 7 HA HIS 7 8.005 -13.016 -13.016
37 1HB HIS 7 HB2 HIS 7 7.499 -11.523 -11.523
38 2HB HIS 7 HB3 HIS 7 6.989 -13.197 -13.197
39 HD1 HIS 7 HD1 HIS 7 4.641 -13.531 -13.531
40 HD2 HIS 7 HD2 HIS 7 5.205 -9.755 -9.755
41 HE1 HIS 7 HE1 HIS 7 2.392 -12.332 -12.332
42 HA PRO 8 HA PRO 8 8.618 -9.103 -9.103
43 1HB PRO 8 HB2 PRO 8 10.860 -9.829 -9.829
44 2HB PRO 8 HB3 PRO 8 9.240 -9.979 -9.979
45 1HG PRO 8 HG2 PRO 8 11.026 -12.097 -12.097
46 2HG PRO 8 HG3 PRO 8 9.614 -12.254 -12.254
47 1HD PRO 8 HD2 PRO 8 9.770 -12.831 -12.831
48 2HD PRO 8 HD3 PRO 8 8.332 -12.876 -12.876
49 H GLN 9 HN GLN 9 9.903 -10.623 -10.623
50 HA GLN 9 HA GLN 9 11.683 -8.373 -8.373
51 1HB GLN 9 HB2 GLN 9 13.163 -10.178 -10.178
52 2HB GLN 9 HB3 GLN 9 12.415 -11.304 -11.304
53 1HG GLN 9 HG2 GLN 9 14.002 -10.705 -10.705
54 2HG GLN 9 HG3 GLN 9 13.162 -9.175 -9.175
55 1HE2 GLN 9 HE22 GLN 9 15.299 -7.395 -7.395
56 2HE2 GLN 9 HE21 GLN 9 13.631 -7.618 -7.618
57 H GLN 10 HN GLN 10 9.957 -11.246 -11.246
58 HA GLN 10 HA GLN 10 10.207 -10.481 -10.481
59 1HB GLN 10 HB2 GLN 10 9.294 -12.528 -12.528
60 2HB GLN 10 HB3 GLN 10 8.994 -12.591 -12.591
61 1HG GLN 10 HG2 GLN 10 6.818 -12.830 -12.830
62 2HG GLN 10 HG3 GLN 10 6.880 -11.094 -11.094
63 1HE2 GLN 10 HE22 GLN 10 5.452 -11.786 -11.786
64 2HE2 GLN 10 HE21 GLN 10 5.072 -12.150 -12.150
65 H ALA 11 HN ALA 11 8.615 -8.905 -8.905
66 HA ALA 11 HA ALA 11 6.326 -8.033 -8.033
67 1HB ALA 11 HB1 ALA 11 7.303 -7.950 -7.950
68 2HB ALA 11 HB2 ALA 11 6.582 -6.408 -6.408
69 3HB ALA 11 HB3 ALA 11 5.635 -7.913 -7.913
70 H PHE 12 HN PHE 12 9.622 -6.944 -6.944
71 HA PHE 12 HA PHE 12 9.090 -4.344 -4.344
72 1HB PHE 12 HB2 PHE 12 11.541 -5.714 -5.714
73 2HB PHE 12 HB3 PHE 12 11.536 -4.040 -4.040
74 HD1 PHE 12 HD1 PHE 12 9.074 -6.081 -6.081
75 HD2 PHE 12 HD2 PHE 12 11.596 -2.669 -2.669
76 HE1 PHE 12 HE1 PHE 12 8.211 -5.385 -5.385
77 HE2 PHE 12 HE2 PHE 12 10.734 -1.974 -1.974
78 HZ PHE 12 HZ PHE 12 9.052 -3.340 -3.340
79 H CYS 13 HN CYS 13 9.476 -7.282 -7.282
80 HA CYS 13 HA CYS 13 11.330 -6.290 -6.290
81 1HB CYS 13 HB2 CYS 13 11.020 -8.967 -8.967
82 2HB CYS 13 HB3 CYS 13 11.360 -8.931 -8.931
83 H ASN 14 HN ASN 14 8.112 -6.957 -6.957
84 HA ASN 14 HA ASN 14 7.414 -7.697 -7.697
85 1HB ASN 14 HB2 ASN 14 6.466 -8.573 -8.573
86 2HB ASN 14 HB3 ASN 14 5.185 -7.539 -7.539
87 1HD2 ASN 14 HD22 ASN 14 6.048 -11.176 -11.176
88 2HD2 ASN 14 HD21 ASN 14 7.029 -10.442 -10.442
89 H ALA 15 HN ALA 15 6.892 -5.338 -5.338
90 HA ALA 15 HA ALA 15 4.864 -3.825 -3.825
91 1HB ALA 15 HB1 ALA 15 7.244 -3.043 -3.043
92 2HB ALA 15 HB2 ALA 15 5.828 -2.005 -2.005
93 3HB ALA 15 HB3 ALA 15 5.635 -3.559 -3.559
94 H ASP 16 HN ASP 16 5.233 -1.416 -1.416
95 HA ASP 16 HA ASP 16 7.548 -1.191 -1.191
96 1HB ASP 16 HB2 ASP 16 4.752 -1.635 -1.635
97 2HB ASP 16 HB3 ASP 16 5.656 -0.374 -0.374
98 H VAL 17 HN VAL 17 5.921 0.048 0.048
99 HA VAL 17 HA VAL 17 6.451 2.752 2.752
100 HB VAL 17 HB VAL 17 4.305 2.400 2.400
101 1HG1 VAL 17 HG11 VAL 17 3.592 1.094 1.094
102 2HG1 VAL 17 HG12 VAL 17 2.471 2.444 2.444
103 3HG1 VAL 17 HG13 VAL 17 2.687 1.180 1.180
104 1HG2 VAL 17 HG23 VAL 17 5.102 4.537 4.537
105 2HG2 VAL 17 HG21 VAL 17 3.669 4.522 4.522
106 3HG2 VAL 17 HG22 VAL 17 3.491 4.219 4.219
107 H VAL 18 HN VAL 18 7.825 2.395 2.395
108 HA VAL 18 HA VAL 18 6.396 1.916 1.916
109 HB VAL 18 HB VAL 18 9.346 2.225 2.225
110 1HG1 VAL 18 HG13 VAL 18 7.311 0.978 0.978
111 2HG1 VAL 18 HG11 VAL 18 8.617 -0.163 -0.163
112 3HG1 VAL 18 HG12 VAL 18 9.001 1.390 1.390
113 1HG2 VAL 18 HG23 VAL 18 8.857 0.987 0.987
114 2HG2 VAL 18 HG21 VAL 18 9.726 -0.004 -0.004
115 3HG2 VAL 18 HG22 VAL 18 7.978 -0.234 -0.234
116 H ILE 19 HN ILE 19 5.751 3.622 3.622
117 HA ILE 19 HA ILE 19 7.464 5.962 5.962
118 HB ILE 19 HB ILE 19 5.748 7.512 7.512
119 1HG1 ILE 19 HG12 ILE 19 3.959 5.123 5.123
120 2HG1 ILE 19 HG13 ILE 19 3.718 6.746 6.746
121 1HG2 ILE 19 HG21 ILE 19 7.095 6.327 6.327
122 2HG2 ILE 19 HG22 ILE 19 5.604 5.420 5.420
123 3HG2 ILE 19 HG23 ILE 19 5.622 7.193 7.193
124 1HD1 ILE 19 HD12 ILE 19 3.629 7.503 7.503
125 2HD1 ILE 19 HD13 ILE 19 3.454 5.774 5.774
126 3HD1 ILE 19 HD11 ILE 19 2.237 6.590 6.590
127 H ARG 20 HN ARG 20 7.691 6.607 6.607
128 HA ARG 20 HA ARG 20 6.152 5.260 5.260
129 1HB ARG 20 HB2 ARG 20 8.069 7.598 7.598
130 2HB ARG 20 HB3 ARG 20 7.610 6.376 6.376
131 1HG ARG 20 HG2 ARG 20 8.957 4.725 4.725
132 2HG ARG 20 HG3 ARG 20 8.850 5.422 5.422
133 1HD ARG 20 HD2 ARG 20 11.119 5.648 5.648
134 2HD ARG 20 HD3 ARG 20 10.491 7.082 7.082
135 HE ARG 20 HE ARG 20 9.416 7.367 7.367
136 1HH1 ARG 20 HH22 ARG 20 12.683 6.528 6.528
137 2HH1 ARG 20 HH21 ARG 20 13.429 7.225 7.225
138 1HH2 ARG 20 HH12 ARG 20 10.400 8.287 8.287
139 2HH2 ARG 20 HH11 ARG 20 12.122 8.232 8.232
140 H THR 21 HN THR 21 4.418 6.782 6.782
141 HA THR 21 HA THR 21 3.898 9.362 9.362
142 HB THR 21 HB THR 21 3.133 8.636 8.636
143 HG1 THR 21 HG1 THR 21 1.317 9.812 9.812
144 1HG2 THR 21 HG21 THR 21 2.741 6.162 6.162
145 2HG2 THR 21 HG22 THR 21 1.163 6.756 6.756
146 3HG2 THR 21 HG23 THR 21 1.578 6.853 6.853
147 H LYS 22 HN LYS 22 1.669 9.930 9.930
148 HA LYS 22 HA LYS 22 1.158 8.025 8.025
149 1HB LYS 22 HB2 LYS 22 0.936 9.874 9.874
150 2HB LYS 22 HB3 LYS 22 2.524 9.903 9.903
151 1HG LYS 22 HG2 LYS 22 1.863 11.689 11.689
152 2HG LYS 22 HG3 LYS 22 0.182 11.553 11.553
153 1HD LYS 22 HD2 LYS 22 2.515 12.643 12.643
154 2HD LYS 22 HD3 LYS 22 1.008 13.440 13.440
155 1HE LYS 22 HE2 LYS 22 -0.162 11.595 11.595
156 2HE LYS 22 HE3 LYS 22 1.437 11.181 11.181
157 1HZ LYS 22 HZ2 LYS 22 1.281 13.887 13.887
158 2HZ LYS 22 HZ3 LYS 22 -0.190 13.367 13.367
159 3HZ LYS 22 HZ1 LYS 22 1.154 12.805 12.805
160 H ALA 23 HN ALA 23 -0.894 7.293 7.293
161 HA ALA 23 HA ALA 23 -2.830 8.770 8.770
162 1HB ALA 23 HB2 ALA 23 -2.873 5.992 5.992
163 2HB ALA 23 HB3 ALA 23 -4.151 6.673 6.673
164 3HB ALA 23 HB1 ALA 23 -2.528 6.379 6.379
165 H VAL 24 HN VAL 24 -3.797 10.408 10.408
166 HA VAL 24 HA VAL 24 -4.590 9.806 9.806
167 HB VAL 24 HB VAL 24 -4.782 12.352 12.352
168 1HG1 VAL 24 HG11 VAL 24 -2.337 10.667 10.667
169 2HG1 VAL 24 HG12 VAL 24 -2.078 12.428 12.428
170 3HG1 VAL 24 HG13 VAL 24 -3.026 11.687 11.687
171 1HG2 VAL 24 HG23 VAL 24 -4.649 12.572 12.572
172 2HG2 VAL 24 HG21 VAL 24 -3.633 13.682 13.682
173 3HG2 VAL 24 HG22 VAL 24 -2.904 12.260 12.260
174 H SER 25 HN SER 25 -5.625 10.984 10.984
175 HA SER 25 HA SER 25 -8.359 10.904 10.904
176 1HB SER 25 HB2 SER 25 -8.190 13.057 13.057
177 2HB SER 25 HB3 SER 25 -6.956 12.629 12.629
178 HG SER 25 HG SER 25 -9.055 13.143 13.143
179 H GLU 26 HN GLU 26 -10.016 10.187 10.187
180 HA GLU 26 HA GLU 26 -8.883 8.456 8.456
181 1HB GLU 26 HB2 GLU 26 -10.449 7.440 7.440
182 2HB GLU 26 HB3 GLU 26 -10.509 6.579 6.579
183 1HG GLU 26 HG2 GLU 26 -8.593 5.542 5.542
184 2HG GLU 26 HG3 GLU 26 -7.772 7.054 7.054
185 H LYS 27 HN LYS 27 -11.059 7.169 7.169
186 HA LYS 27 HA LYS 27 -13.304 8.994 8.994
187 1HB LYS 27 HB2 LYS 27 -11.755 9.939 9.939
188 2HB LYS 27 HB3 LYS 27 -11.731 8.405 8.405
189 1HG LYS 27 HG2 LYS 27 -13.886 8.657 8.657
190 2HG LYS 27 HG3 LYS 27 -14.445 9.534 9.534
191 1HD LYS 27 HD2 LYS 27 -14.266 10.926 10.926
192 2HD LYS 27 HD3 LYS 27 -13.431 11.591 11.591
193 1HE LYS 27 HE2 LYS 27 -11.281 10.582 10.582
194 2HE LYS 27 HE3 LYS 27 -12.123 9.954 9.954
195 1HZ LYS 27 HZ2 LYS 27 -12.677 12.679 12.679
196 2HZ LYS 27 HZ3 LYS 27 -11.058 12.464 12.464
197 3HZ LYS 27 HZ1 LYS 27 -11.926 11.912 11.912
198 H GLU 28 HN GLU 28 -14.963 7.647 7.647
199 HA GLU 28 HA GLU 28 -14.726 4.892 4.892
200 1HB GLU 28 HB2 GLU 28 -15.940 5.828 5.828
201 2HB GLU 28 HB3 GLU 28 -17.160 6.488 6.488
202 1HG GLU 28 HG2 GLU 28 -16.924 3.771 3.771
203 2HG GLU 28 HG3 GLU 28 -16.847 3.741 3.741
204 H VAL 29 HN VAL 29 -14.583 4.524 4.524
205 HA VAL 29 HA VAL 29 -16.848 5.518 5.518
206 HB VAL 29 HB VAL 29 -15.399 5.211 5.211
207 1HG1 VAL 29 HG12 VAL 29 -15.259 7.228 7.228
208 2HG1 VAL 29 HG13 VAL 29 -13.549 6.774 6.774
209 3HG1 VAL 29 HG11 VAL 29 -14.505 7.260 7.260
210 1HG2 VAL 29 HG21 VAL 29 -13.440 4.173 4.173
211 2HG2 VAL 29 HG22 VAL 29 -13.978 3.415 3.415
212 3HG2 VAL 29 HG23 VAL 29 -12.901 4.832 4.832
213 H ASP 30 HN ASP 30 -18.432 3.975 3.975
214 HA ASP 30 HA ASP 30 -17.999 1.324 1.324
215 1HB ASP 30 HB2 ASP 30 -20.281 2.118 2.118
216 2HB ASP 30 HB3 ASP 30 -20.293 1.056 1.056
217 H SER 31 HN SER 31 -18.118 -0.565 -0.565
218 HA SER 31 HA SER 31 -17.607 0.141 0.141
219 1HB SER 31 HB2 SER 31 -15.418 -0.371 -0.371
220 2HB SER 31 HB3 SER 31 -15.893 -1.462 -1.462
221 HG SER 31 HG SER 31 -15.434 -1.984 -1.984
222 H GLY 32 HN GLY 32 -19.990 -0.853 -0.853
223 1HA GLY 32 HA1 GLY 32 -21.718 -2.236 -2.236
224 2HA GLY 32 HA2 GLY 32 -20.844 -2.869 -2.869
225 H ASN 33 HN ASN 33 -22.103 -4.846 -4.846
226 HA ASN 33 HA ASN 33 -20.717 -5.910 -5.910
227 1HB ASN 33 HB2 ASN 33 -22.634 -7.503 -7.503
228 2HB ASN 33 HB3 ASN 33 -22.396 -7.607 -7.607
229 1HD2 ASN 33 HD22 ASN 33 -25.005 -4.945 -4.945
230 2HD2 ASN 33 HD21 ASN 33 -23.940 -5.958 -5.958
231 H ASP 34 HN ASP 34 -19.859 -8.282 -8.282
232 HA ASP 34 HA ASP 34 -18.267 -8.425 -8.425
233 1HB ASP 34 HB2 ASP 34 -17.532 -8.750 -8.750
234 2HB ASP 34 HB3 ASP 34 -18.076 -10.395 -10.395
235 H ILE 35 HN ILE 35 -17.789 -11.324 -11.324
236 HA ILE 35 HA ILE 35 -20.188 -12.210 -12.210
237 HB ILE 35 HB ILE 35 -17.550 -13.584 -13.584
238 1HG1 ILE 35 HG12 ILE 35 -17.256 -13.103 -13.103
239 2HG1 ILE 35 HG13 ILE 35 -18.586 -11.972 -11.972
240 1HG2 ILE 35 HG21 ILE 35 -20.062 -14.453 -14.453
241 2HG2 ILE 35 HG22 ILE 35 -18.516 -14.885 -14.885
242 3HG2 ILE 35 HG23 ILE 35 -18.850 -15.395 -15.395
243 1HD1 ILE 35 HD13 ILE 35 -16.331 -11.789 -11.789
244 2HD1 ILE 35 HD11 ILE 35 -16.071 -11.168 -11.168
245 3HD1 ILE 35 HD12 ILE 35 -17.379 -10.501 -10.501
246 H TYR 36 HN TYR 36 -19.379 -11.846 -11.846
247 HA TYR 36 HA TYR 36 -20.663 -14.366 -14.366
248 1HB TYR 36 HB2 TYR 36 -18.301 -13.251 -13.251
249 2HB TYR 36 HB3 TYR 36 -19.354 -12.310 -12.310
250 HD1 TYR 36 HD1 TYR 36 -18.523 -15.845 -15.845
251 HD2 TYR 36 HD2 TYR 36 -20.041 -13.170 -13.170
252 HE1 TYR 36 HE1 TYR 36 -18.550 -17.737 -17.737
253 HE2 TYR 36 HE2 TYR 36 -20.063 -15.071 -15.071
254 HH TYR 36 HH TYR 36 -19.915 -18.224 -18.224
255 H GLY 37 HN GLY 37 -21.448 -11.204 -11.204
256 1HA GLY 37 HA1 GLY 37 -23.519 -10.249 -10.249
257 2HA GLY 37 HA2 GLY 37 -23.864 -11.350 -11.350
258 H ASN 38 HN ASN 38 -20.821 -10.457 -10.457
259 HA ASN 38 HA ASN 38 -21.766 -8.624 -8.624
260 1HB ASN 38 HB2 ASN 38 -19.203 -8.513 -8.513
261 2HB ASN 38 HB3 ASN 38 -20.009 -10.052 -10.052
262 1HD2 ASN 38 HD22 ASN 38 -16.876 -10.739 -10.739
263 2HD2 ASN 38 HD21 ASN 38 -17.384 -10.123 -10.123
264 HA PRO 39 HA PRO 39 -20.646 -4.977 -4.977
265 1HB PRO 39 HB2 PRO 39 -20.205 -3.214 -3.214
266 2HB PRO 39 HB3 PRO 39 -21.807 -3.637 -3.637
267 1HG PRO 39 HG2 PRO 39 -20.430 -4.504 -4.504
268 2HG PRO 39 HG3 PRO 39 -22.140 -4.560 -4.560
269 1HD PRO 39 HD2 PRO 39 -20.303 -6.764 -6.764
270 2HD PRO 39 HD3 PRO 39 -21.985 -6.796 -6.796
271 H ILE 40 HN ILE 40 -18.951 -4.372 -4.372
272 HA ILE 40 HA ILE 40 -16.412 -5.270 -5.270
273 HB ILE 40 HB ILE 40 -17.321 -3.452 -3.452
274 1HG1 ILE 40 HG12 ILE 40 -16.632 -6.395 -6.395
275 2HG1 ILE 40 HG13 ILE 40 -18.177 -5.674 -5.674
276 1HG2 ILE 40 HG21 ILE 40 -15.011 -2.915 -2.915
277 2HG2 ILE 40 HG22 ILE 40 -14.571 -4.637 -4.637
278 3HG2 ILE 40 HG23 ILE 40 -15.101 -3.769 -3.769
279 1HD1 ILE 40 HD13 ILE 40 -17.093 -4.587 -4.587
280 2HD1 ILE 40 HD11 ILE 40 -15.605 -5.486 -5.486
281 3HD1 ILE 40 HD12 ILE 40 -17.088 -6.366 -6.366
282 H LYS 41 HN LYS 41 -16.868 -1.885 -1.885
283 HA LYS 41 HA LYS 41 -16.372 0.049 0.049
284 1HB LYS 41 HB2 LYS 41 -17.727 -0.855 -0.855
285 2HB LYS 41 HB3 LYS 41 -16.227 -1.372 -1.372
286 1HG LYS 41 HG2 LYS 41 -15.408 0.889 0.889
287 2HG LYS 41 HG3 LYS 41 -16.630 1.502 1.502
288 1HD LYS 41 HD2 LYS 41 -17.268 0.246 0.246
289 2HD LYS 41 HD3 LYS 41 -17.083 1.971 1.971
290 1HE LYS 41 HE2 LYS 41 -19.145 0.178 0.178
291 2HE LYS 41 HE3 LYS 41 -19.475 1.322 1.322
292 1HZ LYS 41 HZ1 LYS 41 -18.156 2.745 2.745
293 2HZ LYS 41 HZ2 LYS 41 -19.196 1.806 1.806
294 3HZ LYS 41 HZ3 LYS 41 -19.755 2.803 2.803
295 H ARG 42 HN ARG 42 -14.455 1.073 1.073
296 HA ARG 42 HA ARG 42 -12.109 -0.361 -0.361
297 1HB ARG 42 HB2 ARG 42 -11.209 1.083 1.083
298 2HB ARG 42 HB3 ARG 42 -11.504 -0.644 -0.644
299 1HG ARG 42 HG2 ARG 42 -13.941 -0.160 -0.160
300 2HG ARG 42 HG3 ARG 42 -13.490 1.519 1.519
301 1HD ARG 42 HD2 ARG 42 -11.632 0.571 0.571
302 2HD ARG 42 HD3 ARG 42 -12.578 -0.904 -0.904
303 HE ARG 42 HE ARG 42 -14.256 1.407 1.407
304 1HH1 ARG 42 HH22 ARG 42 -11.978 -0.811 -0.811
305 2HH1 ARG 42 HH21 ARG 42 -12.620 -0.589 -0.589
306 1HH2 ARG 42 HH12 ARG 42 -15.103 1.700 1.700
307 2HH2 ARG 42 HH11 ARG 42 -14.409 0.849 0.849
308 H ILE 43 HN ILE 43 -12.722 1.274 1.274
309 HA ILE 43 HA ILE 43 -12.763 3.930 3.930
310 HB ILE 43 HB ILE 43 -11.941 1.938 1.938
311 1HG1 ILE 43 HG12 ILE 43 -13.021 3.677 3.677
312 2HG1 ILE 43 HG13 ILE 43 -13.346 4.612 4.612
313 1HG2 ILE 43 HG21 ILE 43 -9.784 3.101 3.101
314 2HG2 ILE 43 HG22 ILE 43 -10.605 4.648 4.648
315 3HG2 ILE 43 HG23 ILE 43 -10.619 3.364 3.364
316 1HD1 ILE 43 HD12 ILE 43 -14.100 1.794 1.794
317 2HD1 ILE 43 HD13 ILE 43 -14.939 2.545 2.545
318 3HD1 ILE 43 HD11 ILE 43 -15.073 3.265 3.265
319 H GLN 44 HN GLN 44 -11.340 5.695 5.695
320 HA GLN 44 HA GLN 44 -9.022 5.052 5.052
321 1HB GLN 44 HB2 GLN 44 -10.353 7.678 7.678
322 2HB GLN 44 HB3 GLN 44 -8.874 7.612 7.612
323 1HG GLN 44 HG2 GLN 44 -11.638 6.630 6.630
324 2HG GLN 44 HG3 GLN 44 -10.590 7.730 7.730
325 1HE2 GLN 44 HE22 GLN 44 -10.153 3.632 3.632
326 2HE2 GLN 44 HE21 GLN 44 -11.096 4.398 4.398
327 H TYR 45 HN TYR 45 -7.067 6.800 6.800
328 HA TYR 45 HA TYR 45 -6.600 6.716 6.716
329 1HB TYR 45 HB2 TYR 45 -5.228 5.367 5.367
330 2HB TYR 45 HB3 TYR 45 -4.126 6.213 6.213
331 HD1 TYR 45 HD2 TYR 45 -5.893 5.687 5.687
332 HD2 TYR 45 HD1 TYR 45 -4.350 3.171 3.171
333 HE1 TYR 45 HE2 TYR 45 -5.918 3.703 3.703
334 HE2 TYR 45 HE1 TYR 45 -4.381 1.195 1.195
335 HH TYR 45 HH TYR 45 -4.751 0.521 0.521
336 H GLU 46 HN GLU 46 -7.339 9.057 9.057
337 HA GLU 46 HA GLU 46 -5.669 10.652 10.652
338 1HB GLU 46 HB2 GLU 46 -8.084 11.028 11.028
339 2HB GLU 46 HB3 GLU 46 -7.155 11.792 11.792
340 1HG GLU 46 HG2 GLU 46 -6.142 13.361 13.361
341 2HG GLU 46 HG3 GLU 46 -6.833 12.508 12.508
342 H ILE 47 HN ILE 47 -3.559 9.658 9.658
343 HA ILE 47 HA ILE 47 -2.714 10.264 10.264
344 HB ILE 47 HB ILE 47 -0.508 9.591 9.591
345 1HG1 ILE 47 HG12 ILE 47 -1.849 9.803 9.803
346 2HG1 ILE 47 HG13 ILE 47 -0.307 10.449 10.449
347 1HG2 ILE 47 HG23 ILE 47 -2.870 8.033 8.033
348 2HG2 ILE 47 HG21 ILE 47 -1.909 7.426 7.426
349 3HG2 ILE 47 HG22 ILE 47 -1.186 7.515 7.515
350 1HD1 ILE 47 HD13 ILE 47 -0.133 7.630 7.630
351 2HD1 ILE 47 HD11 ILE 47 -0.879 7.876 7.876
352 3HD1 ILE 47 HD12 ILE 47 0.701 8.608 8.608
353 H LYS 48 HN LYS 48 -0.276 11.491 11.491
354 HA LYS 48 HA LYS 48 -0.919 14.118 14.118
355 1HB LYS 48 HB2 LYS 48 -1.037 13.718 13.718
356 2HB LYS 48 HB3 LYS 48 0.708 13.842 13.842
357 1HG LYS 48 HG2 LYS 48 0.642 16.073 16.073
358 2HG LYS 48 HG3 LYS 48 -1.009 15.925 15.925
359 1HD LYS 48 HD2 LYS 48 -0.595 17.278 17.278
360 2HD LYS 48 HD3 LYS 48 -1.926 16.138 16.138
361 1HE LYS 48 HE2 LYS 48 -0.681 14.497 14.497
362 2HE LYS 48 HE3 LYS 48 0.841 15.318 15.318
363 1HZ LYS 48 HZ1 LYS 48 -1.289 16.735 16.735
364 2HZ LYS 48 HZ2 LYS 48 -0.402 15.636 15.636
365 3HZ LYS 48 HZ3 LYS 48 0.328 16.923 16.923
366 H GLN 49 HN GLN 49 1.004 11.395 11.395
367 HA GLN 49 HA GLN 49 2.959 10.945 10.945
368 1HB GLN 49 HB2 GLN 49 2.304 13.518 13.518
369 2HB GLN 49 HB3 GLN 49 3.792 12.657 12.657
370 1HG GLN 49 HG2 GLN 49 1.113 11.217 11.217
371 2HG GLN 49 HG3 GLN 49 1.679 12.091 12.091
372 1HE2 GLN 49 HE22 GLN 49 4.703 10.002 10.002
373 2HE2 GLN 49 HE21 GLN 49 4.303 11.677 11.677
374 H ILE 50 HN ILE 50 4.714 10.877 10.877
375 HA ILE 50 HA ILE 50 5.855 13.466 13.466
376 HB ILE 50 HB ILE 50 5.906 12.870 12.870
377 1HG1 ILE 50 HG12 ILE 50 6.881 10.217 10.217
378 2HG1 ILE 50 HG13 ILE 50 7.712 11.403 11.403
379 1HG2 ILE 50 HG21 ILE 50 3.590 12.132 12.132
380 2HG2 ILE 50 HG22 ILE 50 4.176 10.483 10.483
381 3HG2 ILE 50 HG23 ILE 50 4.067 11.670 11.670
382 1HD1 ILE 50 HD12 ILE 50 6.151 10.908 10.908
383 2HD1 ILE 50 HD13 ILE 50 5.364 9.665 9.665
384 3HD1 ILE 50 HD11 ILE 50 7.066 9.472 9.472
385 H LYS 51 HN LYS 51 6.336 10.127 10.127
386 HA LYS 51 HA LYS 51 8.960 10.942 10.942
387 1HB LYS 51 HB2 LYS 51 8.750 9.501 9.501
388 2HB LYS 51 HB3 LYS 51 9.044 8.257 8.257
389 1HG LYS 51 HG2 LYS 51 11.120 9.181 9.181
390 2HG LYS 51 HG3 LYS 51 10.712 10.783 10.783
391 1HD LYS 51 HD2 LYS 51 10.568 9.263 9.263
392 2HD LYS 51 HD3 LYS 51 11.877 8.482 8.482
393 1HE LYS 51 HE2 LYS 51 12.871 10.840 10.840
394 2HE LYS 51 HE3 LYS 51 11.678 11.425 11.425
395 1HZ LYS 51 HZ2 LYS 51 13.502 9.221 9.221
396 2HZ LYS 51 HZ3 LYS 51 13.876 10.783 10.783
397 3HZ LYS 51 HZ1 LYS 51 12.591 10.097 10.097
398 H MET 52 HN MET 52 9.824 9.318 9.318
399 HA MET 52 HA MET 52 7.718 7.667 7.667
400 1HB MET 52 HB2 MET 52 8.148 8.622 8.622
401 2HB MET 52 HB3 MET 52 7.539 9.844 9.844
402 1HG MET 52 HG2 MET 52 10.477 9.665 9.665
403 2HG MET 52 HG3 MET 52 9.913 9.994 9.994
404 1HE MET 52 HE1 MET 52 11.228 11.125 11.125
405 2HE MET 52 HE2 MET 52 11.442 12.705 12.705
406 3HE MET 52 HE3 MET 52 10.427 12.568 12.568
407 H PHE 53 HN PHE 53 9.409 6.209 6.209
408 HA PHE 53 HA PHE 53 11.949 5.821 5.821
409 1HB PHE 53 HB2 PHE 53 9.527 4.081 4.081
410 2HB PHE 53 HB3 PHE 53 10.907 3.236 3.236
411 HD1 PHE 53 HD2 PHE 53 13.187 4.386 4.386
412 HD2 PHE 53 HD1 PHE 53 9.333 3.486 3.486
413 HE1 PHE 53 HE2 PHE 53 14.160 4.143 4.143
414 HE2 PHE 53 HE1 PHE 53 10.307 3.244 3.244
415 HZ PHE 53 HZ PHE 53 12.708 3.575 3.575
416 H LYS 54 HN LYS 54 9.678 3.748 3.748
417 HA LYS 54 HA LYS 54 11.219 4.455 4.455
418 1HB LYS 54 HB2 LYS 54 12.131 2.369 2.369
419 2HB LYS 54 HB3 LYS 54 10.567 1.710 1.710
420 1HG LYS 54 HG2 LYS 54 11.597 0.999 0.999
421 2HG LYS 54 HG3 LYS 54 9.898 1.428 1.428
422 1HD LYS 54 HD2 LYS 54 10.487 3.762 3.762
423 2HD LYS 54 HD3 LYS 54 12.176 3.298 3.298
424 1HE LYS 54 HE2 LYS 54 10.567 1.371 1.371
425 2HE LYS 54 HE3 LYS 54 10.195 2.992 2.992
426 1HZ LYS 54 HZ2 LYS 54 12.954 2.741 2.741
427 2HZ LYS 54 HZ3 LYS 54 12.430 1.506 1.506
428 3HZ LYS 54 HZ1 LYS 54 12.125 3.049 3.049
429 H GLY 55 HN GLY 55 9.368 6.006 6.006
430 1HA GLY 55 HA1 GLY 55 6.979 4.611 4.611
431 2HA GLY 55 HA2 GLY 55 6.917 6.124 6.124
432 HA PRO 56 HA PRO 56 7.210 7.249 7.249
433 1HB PRO 56 HB2 PRO 56 5.098 8.983 8.983
434 2HB PRO 56 HB3 PRO 56 4.960 7.290 7.290
435 1HG PRO 56 HG2 PRO 56 4.062 8.653 8.653
436 2HG PRO 56 HG3 PRO 56 3.571 7.095 7.095
437 1HD PRO 56 HD2 PRO 56 5.380 7.570 7.570
438 2HD PRO 56 HD3 PRO 56 4.979 6.019 6.019
439 H GLU 57 HN GLU 57 6.990 9.699 9.699
440 HA GLU 57 HA GLU 57 8.952 11.029 11.029
441 1HB GLU 57 HB2 GLU 57 8.037 12.153 12.153
442 2HB GLU 57 HB3 GLU 57 9.645 12.125 12.125
443 1HG GLU 57 HG2 GLU 57 9.597 9.561 9.561
444 2HG GLU 57 HG3 GLU 57 8.147 9.796 9.796
445 H LYS 58 HN LYS 58 5.595 11.343 11.343
446 HA LYS 58 HA LYS 58 5.343 14.062 14.062
447 1HB LYS 58 HB2 LYS 58 4.046 12.947 12.947
448 2HB LYS 58 HB3 LYS 58 3.154 12.067 12.067
449 1HG LYS 58 HG2 LYS 58 1.752 13.851 13.851
450 2HG LYS 58 HG3 LYS 58 3.043 14.711 14.711
451 1HD LYS 58 HD2 LYS 58 2.756 14.609 14.609
452 2HD LYS 58 HD3 LYS 58 2.081 15.890 15.890
453 1HE LYS 58 HE2 LYS 58 4.663 15.869 15.869
454 2HE LYS 58 HE3 LYS 58 4.937 15.338 15.338
455 1HZ LYS 58 HZ3 LYS 58 3.224 17.354 17.354
456 2HZ LYS 58 HZ1 LYS 58 4.076 17.887 17.887
457 3HZ LYS 58 HZ2 LYS 58 4.847 17.500 17.500
458 H ASP 59 HN ASP 59 3.192 11.397 11.397
459 HA ASP 59 HA ASP 59 3.974 10.959 10.959
460 1HB ASP 59 HB2 ASP 59 4.086 13.326 13.326
461 2HB ASP 59 HB3 ASP 59 2.487 13.617 13.617
462 H ILE 60 HN ILE 60 2.004 10.349 10.349
463 HA ILE 60 HA ILE 60 -0.246 9.631 9.631
464 HB ILE 60 HB ILE 60 0.308 8.302 8.302
465 1HG1 ILE 60 HG12 ILE 60 2.463 8.493 8.493
466 2HG1 ILE 60 HG13 ILE 60 1.992 6.918 6.918
467 1HG2 ILE 60 HG22 ILE 60 -1.756 7.892 7.892
468 2HG2 ILE 60 HG23 ILE 60 -0.683 7.148 7.148
469 3HG2 ILE 60 HG21 ILE 60 -0.799 6.452 6.452
470 1HD1 ILE 60 HD12 ILE 60 1.255 7.923 7.923
471 2HD1 ILE 60 HD13 ILE 60 2.697 6.937 6.937
472 3HD1 ILE 60 HD11 ILE 60 1.072 6.268 6.268
473 H GLU 61 HN GLU 61 0.071 9.853 9.853
474 HA GLU 61 HA GLU 61 -0.969 11.074 11.074
475 1HB GLU 61 HB2 GLU 61 -1.020 12.821 12.821
476 2HB GLU 61 HB3 GLU 61 -2.511 13.013 13.013
477 1HG GLU 61 HG2 GLU 61 -0.730 12.990 12.990
478 2HG GLU 61 HG3 GLU 61 0.301 13.645 13.645
479 H PHE 62 HN PHE 62 -2.436 9.359 9.359
480 HA PHE 62 HA PHE 62 -4.880 9.140 9.140
481 1HB PHE 62 HB2 PHE 62 -4.470 10.242 10.242
482 2HB PHE 62 HB3 PHE 62 -5.663 8.958 8.958
483 HD1 PHE 62 HD1 PHE 62 -7.609 9.189 9.189
484 HD2 PHE 62 HD2 PHE 62 -5.046 12.413 12.413
485 HE1 PHE 62 HE1 PHE 62 -9.342 10.818 10.818
486 HE2 PHE 62 HE2 PHE 62 -6.780 14.043 14.043
487 HZ PHE 62 HZ PHE 62 -8.908 13.226 13.226
488 H ILE 63 HN ILE 63 -4.219 7.057 7.057
489 HA ILE 63 HA ILE 63 -3.713 5.122 5.122
490 HB ILE 63 HB ILE 63 -3.437 4.500 4.500
491 1HG1 ILE 63 HG12 ILE 63 -2.295 6.809 6.809
492 2HG1 ILE 63 HG13 ILE 63 -1.700 5.847 5.847
493 1HG2 ILE 63 HG21 ILE 63 -2.227 3.578 3.578
494 2HG2 ILE 63 HG22 ILE 63 -1.377 3.310 3.310
495 3HG2 ILE 63 HG23 ILE 63 -3.004 2.634 2.634
496 1HD1 ILE 63 HD12 ILE 63 -0.865 5.268 5.268
497 2HD1 ILE 63 HD13 ILE 63 0.002 6.441 6.441
498 3HD1 ILE 63 HD11 ILE 63 -0.079 4.730 4.730
499 H TYR 64 HN TYR 64 -4.663 2.821 2.821
500 HA TYR 64 HA TYR 64 -7.443 3.247 3.247
501 1HB TYR 64 HB2 TYR 64 -6.108 1.685 1.685
502 2HB TYR 64 HB3 TYR 64 -7.717 1.248 1.248
503 HD1 TYR 64 HD1 TYR 64 -5.915 4.439 4.439
504 HD2 TYR 64 HD2 TYR 64 -9.430 2.047 2.047
505 HE1 TYR 64 HE1 TYR 64 -6.917 6.203 6.203
506 HE2 TYR 64 HE2 TYR 64 -10.421 3.819 3.819
507 HH TYR 64 HH TYR 64 -8.666 6.841 6.841
508 H THR 65 HN THR 65 -8.516 1.296 1.296
509 HA THR 65 HA THR 65 -7.078 -1.048 -1.048
510 HB THR 65 HB THR 65 -5.751 0.461 0.461
511 HG1 THR 65 HG1 THR 65 -6.361 -0.778 -0.778
512 1HG2 THR 65 HG23 THR 65 -8.522 1.254 1.254
513 2HG2 THR 65 HG21 THR 65 -7.223 1.167 1.167
514 3HG2 THR 65 HG22 THR 65 -7.069 2.264 2.264
515 H ALA 66 HN ALA 66 -8.305 -1.897 -1.897
516 HA ALA 66 HA ALA 66 -11.106 -1.819 -1.819
517 1HB ALA 66 HB3 ALA 66 -9.257 -3.916 -3.916
518 2HB ALA 66 HB1 ALA 66 -10.697 -3.915 -3.915
519 3HB ALA 66 HB2 ALA 66 -10.880 -4.055 -4.055
520 HA PRO 67 HA PRO 67 -12.140 0.120 0.120
521 1HB PRO 67 HB2 PRO 67 -14.770 -0.581 -0.581
522 2HB PRO 67 HB3 PRO 67 -14.220 0.705 0.705
523 1HG PRO 67 HG2 PRO 67 -15.132 -2.015 -2.015
524 2HG PRO 67 HG3 PRO 67 -14.990 -0.601 -0.601
525 1HD PRO 67 HD2 PRO 67 -13.198 -2.840 -2.840
526 2HD PRO 67 HD3 PRO 67 -12.996 -1.374 -1.374
527 H SER 68 HN SER 68 -14.013 -0.631 -0.631
528 HA SER 68 HA SER 68 -14.034 -1.715 -1.715
529 1HB SER 68 HB2 SER 68 -13.659 -3.853 -3.853
530 2HB SER 68 HB3 SER 68 -13.256 -4.334 -4.334
531 HG SER 68 HG SER 68 -15.664 -2.883 -2.883
532 H SER 69 HN SER 69 -12.483 -3.717 -3.717
533 HA SER 69 HA SER 69 -10.169 -2.250 -2.250
534 1HB SER 69 HB2 SER 69 -9.674 -4.029 -4.029
535 2HB SER 69 HB3 SER 69 -11.397 -3.709 -3.709
536 HG SER 69 HG SER 69 -11.686 -5.554 -5.554
537 H ALA 70 HN ALA 70 -9.837 -2.442 -2.442
538 HA ALA 70 HA ALA 70 -8.539 -3.143 -3.143
539 1HB ALA 70 HB3 ALA 70 -6.981 -3.337 -3.337
540 2HB ALA 70 HB1 ALA 70 -6.426 -4.524 -4.524
541 3HB ALA 70 HB2 ALA 70 -6.479 -2.794 -2.794
542 H VAL 71 HN VAL 71 -9.721 -4.631 -4.631
543 HA VAL 71 HA VAL 71 -9.593 -7.402 -7.402
544 HB VAL 71 HB VAL 71 -11.715 -7.679 -7.679
545 1HG1 VAL 71 HG11 VAL 71 -11.688 -5.518 -5.518
546 2HG1 VAL 71 HG12 VAL 71 -11.815 -4.659 -4.659
547 3HG1 VAL 71 HG13 VAL 71 -13.115 -5.759 -5.759
548 1HG2 VAL 71 HG22 VAL 71 -11.057 -5.985 -5.985
549 2HG2 VAL 71 HG23 VAL 71 -11.392 -7.732 -7.732
550 3HG2 VAL 71 HG21 VAL 71 -12.706 -6.562 -6.562
551 H CYS 72 HN CYS 72 -9.122 -5.167 -5.167
552 HA CYS 72 HA CYS 72 -7.649 -7.343 -7.343
553 1HB CYS 72 HB2 CYS 72 -9.136 -5.162 -5.162
554 2HB CYS 72 HB3 CYS 72 -8.334 -6.562 -6.562
555 H GLY 73 HN GLY 73 -7.038 -4.994 -4.994
556 1HA GLY 73 HA1 GLY 73 -4.667 -4.089 -4.089
557 2HA GLY 73 HA2 GLY 73 -5.837 -2.830 -2.830
558 H VAL 74 HN VAL 74 -4.208 -1.852 -1.852
559 HA VAL 74 HA VAL 74 -3.943 -3.322 -3.322
560 HB VAL 74 HB VAL 74 -2.217 -1.088 -1.088
561 1HG1 VAL 74 HG13 VAL 74 -2.316 -1.409 -1.409
562 2HG1 VAL 74 HG11 VAL 74 -1.652 -3.042 -3.042
563 3HG1 VAL 74 HG12 VAL 74 -0.699 -1.614 -1.614
564 1HG2 VAL 74 HG23 VAL 74 -2.280 -3.436 -3.436
565 2HG2 VAL 74 HG21 VAL 74 -0.741 -2.599 -2.599
566 3HG2 VAL 74 HG22 VAL 74 -1.263 -3.925 -3.925
567 H SER 75 HN SER 75 -5.883 -1.124 -1.124
568 HA SER 75 HA SER 75 -6.827 0.809 0.809
569 1HB SER 75 HB2 SER 75 -8.416 0.440 0.440
570 2HB SER 75 HB3 SER 75 -8.230 -1.043 -1.043
571 HG SER 75 HG SER 75 -8.104 -1.634 -1.634
572 H LEU 76 HN LEU 76 -5.003 2.264 2.264
573 HA LEU 76 HA LEU 76 -4.137 2.604 2.604
574 1HB LEU 76 HB2 LEU 76 -2.708 4.015 4.015
575 2HB LEU 76 HB3 LEU 76 -2.097 3.198 3.198
576 HG LEU 76 HG LEU 76 -3.017 1.091 1.091
577 1HD1 LEU 76 HD12 LEU 76 -2.922 3.242 3.242
578 2HD1 LEU 76 HD13 LEU 76 -1.430 2.322 2.322
579 3HD1 LEU 76 HD11 LEU 76 -3.011 1.510 1.510
580 1HD2 LEU 76 HD23 LEU 76 -0.558 2.089 2.089
581 2HD2 LEU 76 HD21 LEU 76 -0.978 0.424 0.424
582 3HD2 LEU 76 HD22 LEU 76 -0.273 1.537 1.537
583 H ASP 77 HN ASP 77 -4.579 4.479 4.479
584 HA ASP 77 HA ASP 77 -5.944 6.519 6.519
585 1HB ASP 77 HB2 ASP 77 -6.944 6.984 6.984
586 2HB ASP 77 HB3 ASP 77 -7.707 5.881 5.881
587 H VAL 78 HN VAL 78 -3.143 5.711 5.711
588 HA VAL 78 HA VAL 78 -1.424 6.890 6.890
589 HB VAL 78 HB VAL 78 -3.141 8.982 8.982
590 1HG1 VAL 78 HG12 VAL 78 -1.278 9.550 9.550
591 2HG1 VAL 78 HG13 VAL 78 -1.314 10.685 10.685
592 3HG1 VAL 78 HG11 VAL 78 -2.803 10.345 10.345
593 1HG2 VAL 78 HG22 VAL 78 -0.760 7.603 7.603
594 2HG2 VAL 78 HG23 VAL 78 -1.549 8.896 8.896
595 3HG2 VAL 78 HG21 VAL 78 -0.293 9.302 9.302
596 H GLY 79 HN GLY 79 -4.522 8.428 8.428
597 1HA GLY 79 HA1 GLY 79 -3.710 9.262 9.262
598 2HA GLY 79 HA2 GLY 79 -5.333 8.748 8.748
599 H GLY 80 HN GLY 80 -3.800 6.018 6.018
600 1HA GLY 80 HA1 GLY 80 -3.830 4.962 4.962
601 2HA GLY 80 HA2 GLY 80 -4.444 4.098 4.098
602 H LYS 81 HN LYS 81 -2.261 5.055 5.055
603 HA LYS 81 HA LYS 81 -0.138 3.341 3.341
604 1HB LYS 81 HB2 LYS 81 0.158 3.680 3.680
605 2HB LYS 81 HB3 LYS 81 -0.247 2.225 2.225
606 1HG LYS 81 HG2 LYS 81 -2.301 4.332 4.332
607 2HG LYS 81 HG3 LYS 81 -1.953 2.900 2.900
608 1HD LYS 81 HD2 LYS 81 -2.982 1.465 1.465
609 2HD LYS 81 HD3 LYS 81 -2.560 2.446 2.446
610 1HE LYS 81 HE2 LYS 81 -4.759 3.080 3.080
611 2HE LYS 81 HE3 LYS 81 -4.262 4.163 4.163
612 1HZ LYS 81 HZ2 LYS 81 -4.660 1.750 1.750
613 2HZ LYS 81 HZ3 LYS 81 -5.905 1.889 1.889
614 3HZ LYS 81 HZ1 LYS 81 -5.646 3.048 3.048
615 H LYS 82 HN LYS 82 0.192 5.467 5.467
616 HA LYS 82 HA LYS 82 1.042 7.793 7.793
617 1HB LYS 82 HB2 LYS 82 3.581 7.438 7.438
618 2HB LYS 82 HB3 LYS 82 2.593 6.971 6.971
619 1HG LYS 82 HG2 LYS 82 2.672 4.694 4.694
620 2HG LYS 82 HG3 LYS 82 4.313 5.309 5.309
621 1HD LYS 82 HD2 LYS 82 4.592 4.479 4.479
622 2HD LYS 82 HD3 LYS 82 3.226 5.404 5.404
623 1HE LYS 82 HE2 LYS 82 1.809 3.600 3.600
624 2HE LYS 82 HE3 LYS 82 2.425 3.045 3.045
625 1HZ LYS 82 HZ2 LYS 82 4.470 2.413 2.413
626 2HZ LYS 82 HZ3 LYS 82 3.470 2.505 2.505
627 3HZ LYS 82 HZ1 LYS 82 3.147 1.457 1.457
628 H GLU 83 HN GLU 83 3.089 5.444 5.444
629 HA GLU 83 HA GLU 83 2.129 6.558 6.558
630 1HB GLU 83 HB2 GLU 83 5.024 6.753 6.753
631 2HB GLU 83 HB3 GLU 83 3.821 7.975 7.975
632 1HG GLU 83 HG2 GLU 83 5.183 8.819 8.819
633 2HG GLU 83 HG3 GLU 83 3.608 8.431 8.431
634 H TYR 84 HN TYR 84 3.201 5.416 5.416
635 HA TYR 84 HA TYR 84 4.512 2.923 2.923
636 1HB TYR 84 HB2 TYR 84 2.730 1.729 1.729
637 2HB TYR 84 HB3 TYR 84 2.083 2.406 2.406
638 HD1 TYR 84 HD2 TYR 84 2.695 3.542 3.542
639 HD2 TYR 84 HD1 TYR 84 0.046 3.488 3.488
640 HE1 TYR 84 HE2 TYR 84 0.959 4.831 4.831
641 HE2 TYR 84 HE1 TYR 84 -1.681 4.777 4.777
642 HH TYR 84 HH TYR 84 -1.951 4.903 4.903
643 H LEU 85 HN LEU 85 5.561 1.890 1.890
644 HA LEU 85 HA LEU 85 6.287 3.826 3.826
645 1HB LEU 85 HB2 LEU 85 7.918 2.084 2.084
646 2HB LEU 85 HB3 LEU 85 8.065 2.636 2.636
647 HG LEU 85 HG LEU 85 8.242 0.085 0.085
648 1HD1 LEU 85 HD13 LEU 85 7.978 1.469 1.469
649 2HD1 LEU 85 HD11 LEU 85 6.552 0.407 0.407
650 3HD1 LEU 85 HD12 LEU 85 8.176 -0.298 -0.298
651 1HD2 LEU 85 HD22 LEU 85 6.077 -0.034 -0.034
652 2HD2 LEU 85 HD23 LEU 85 6.151 -1.137 -1.137
653 3HD2 LEU 85 HD21 LEU 85 5.250 0.392 0.392
654 H ILE 86 HN ILE 86 3.622 1.982 1.982
655 HA ILE 86 HA ILE 86 2.631 0.435 0.435
656 HB ILE 86 HB ILE 86 2.076 3.256 3.256
657 1HG1 ILE 86 HG12 ILE 86 -0.193 2.521 2.521
658 2HG1 ILE 86 HG13 ILE 86 0.186 0.934 0.934
659 1HG2 ILE 86 HG22 ILE 86 1.734 1.760 1.760
660 2HG2 ILE 86 HG23 ILE 86 0.584 3.033 3.033
661 3HG2 ILE 86 HG21 ILE 86 2.312 3.419 3.419
662 1HD1 ILE 86 HD13 ILE 86 1.923 1.492 1.492
663 2HD1 ILE 86 HD11 ILE 86 0.224 1.755 1.755
664 3HD1 ILE 86 HD12 ILE 86 0.734 0.182 0.182
665 H ALA 87 HN ALA 87 3.830 -0.941 -0.941
666 HA ALA 87 HA ALA 87 4.811 0.208 0.208
667 1HB ALA 87 HB3 ALA 87 6.181 -1.417 -1.417
668 2HB ALA 87 HB1 ALA 87 6.443 -1.941 -1.941
669 3HB ALA 87 HB2 ALA 87 6.854 -0.279 -0.279
670 H GLY 88 HN GLY 88 3.365 -0.467 -0.467
671 1HA GLY 88 HA1 GLY 88 2.810 -3.350 -3.350
672 2HA GLY 88 HA2 GLY 88 1.462 -2.230 -2.230
673 H LYS 89 HN LYS 89 1.704 -3.881 -3.881
674 HA LYS 89 HA LYS 89 3.231 -3.245 -3.245
675 1HB LYS 89 HB2 LYS 89 1.235 -4.892 -4.892
676 2HB LYS 89 HB3 LYS 89 0.258 -3.582 -3.582
677 1HG LYS 89 HG2 LYS 89 1.143 -3.750 -3.750
678 2HG LYS 89 HG3 LYS 89 2.765 -4.062 -4.062
679 1HD LYS 89 HD2 LYS 89 1.630 -6.392 -6.392
680 2HD LYS 89 HD3 LYS 89 0.528 -6.007 -6.007
681 1HE LYS 89 HE2 LYS 89 3.270 -5.525 -5.525
682 2HE LYS 89 HE3 LYS 89 3.139 -7.144 -7.144
683 1HZ LYS 89 HZ1 LYS 89 1.076 -7.298 -7.298
684 2HZ LYS 89 HZ2 LYS 89 1.633 -5.975 -5.975
685 3HZ LYS 89 HZ3 LYS 89 2.520 -7.347 -7.347
686 H ALA 90 HN ALA 90 0.618 -1.260 -1.260
687 HA ALA 90 HA ALA 90 0.361 0.963 0.963
688 1HB ALA 90 HB1 ALA 90 2.880 0.683 0.683
689 2HB ALA 90 HB2 ALA 90 1.964 1.438 1.438
690 3HB ALA 90 HB3 ALA 90 2.040 2.229 2.229
691 H GLU 91 HN GLU 91 -0.499 2.592 2.592
692 HA GLU 91 HA GLU 91 -1.937 0.980 0.980
693 1HB GLU 91 HB2 GLU 91 -3.259 1.736 1.736
694 2HB GLU 91 HB3 GLU 91 -3.301 3.302 3.302
695 1HG GLU 91 HG2 GLU 91 -5.321 1.940 1.940
696 2HG GLU 91 HG3 GLU 91 -4.403 2.341 2.341
697 H GLY 92 HN GLY 92 0.319 3.318 3.318
698 1HA GLY 92 HA1 GLY 92 0.973 4.268 4.268
699 2HA GLY 92 HA2 GLY 92 -0.609 5.023 5.023
700 H ASP 93 HN ASP 93 -0.525 7.145 7.145
701 HA ASP 93 HA ASP 93 1.328 7.811 7.811
702 1HB ASP 93 HB2 ASP 93 0.959 9.021 9.021
703 2HB ASP 93 HB3 ASP 93 1.089 10.174 10.174
704 H GLY 94 HN GLY 94 0.482 9.378 9.378
705 1HA GLY 94 HA1 GLY 94 -1.033 10.795 10.795
706 2HA GLY 94 HA2 GLY 94 -2.008 10.733 10.733
707 H LYS 95 HN LYS 95 -1.447 7.534 7.534
708 HA LYS 95 HA LYS 95 -2.983 6.935 6.935
709 1HB LYS 95 HB2 LYS 95 -5.123 6.509 6.509
710 2HB LYS 95 HB3 LYS 95 -4.719 8.032 8.032
711 1HG LYS 95 HG2 LYS 95 -4.355 5.306 5.306
712 2HG LYS 95 HG3 LYS 95 -5.758 6.329 6.329
713 1HD LYS 95 HD2 LYS 95 -2.873 7.085 7.085
714 2HD LYS 95 HD3 LYS 95 -4.105 6.636 6.636
715 1HE LYS 95 HE2 LYS 95 -4.035 9.118 9.118
716 2HE LYS 95 HE3 LYS 95 -4.013 9.052 9.052
717 1HZ LYS 95 HZ3 LYS 95 -6.242 8.079 8.079
718 2HZ LYS 95 HZ1 LYS 95 -6.256 8.283 8.283
719 3HZ LYS 95 HZ2 LYS 95 -6.185 9.583 9.583
720 H MET 96 HN MET 96 -3.011 4.673 4.673
721 HA MET 96 HA MET 96 -2.011 3.020 3.020
722 1HB MET 96 HB2 MET 96 -0.444 2.060 2.060
723 2HB MET 96 HB3 MET 96 0.116 3.300 3.300
724 1HG MET 96 HG2 MET 96 0.159 4.890 4.890
725 2HG MET 96 HG3 MET 96 -1.440 4.461 4.461
726 1HE MET 96 HE2 MET 96 1.825 4.895 4.895
727 2HE MET 96 HE3 MET 96 1.679 4.725 4.725
728 3HE MET 96 HE1 MET 96 2.607 3.529 3.529
729 H HIS 97 HN HIS 97 -1.541 0.657 0.657
730 HA HIS 97 HA HIS 97 -4.072 0.271 0.271
731 1HB HIS 97 HB2 HIS 97 -3.185 -0.927 -0.927
732 2HB HIS 97 HB3 HIS 97 -3.411 -2.162 -2.162
733 HD1 HIS 97 HD1 HIS 97 -5.514 -3.048 -3.048
734 HD2 HIS 97 HD2 HIS 97 -5.867 0.876 0.876
735 HE1 HIS 97 HE1 HIS 97 -7.986 -2.442 -2.442
736 H ILE 98 HN ILE 98 -3.899 -0.768 -0.768
737 HA ILE 98 HA ILE 98 -1.479 -2.303 -2.303
738 HB ILE 98 HB ILE 98 -1.154 -1.148 -1.148
739 1HG1 ILE 98 HG12 ILE 98 -3.245 0.742 0.742
740 2HG1 ILE 98 HG13 ILE 98 -3.315 -0.180 -0.180
741 1HG2 ILE 98 HG21 ILE 98 -0.150 -0.531 -0.531
742 2HG2 ILE 98 HG22 ILE 98 -0.842 1.040 1.040
743 3HG2 ILE 98 HG23 ILE 98 0.358 0.248 0.248
744 1HD1 ILE 98 HD12 ILE 98 -1.018 1.742 1.742
745 2HD1 ILE 98 HD13 ILE 98 -2.610 2.366 2.366
746 3HD1 ILE 98 HD11 ILE 98 -1.755 1.192 1.192
747 H THR 99 HN THR 99 -1.845 -4.089 -4.089
748 HA THR 99 HA THR 99 -4.434 -4.219 -4.219
749 HB THR 99 HB THR 99 -4.513 -6.648 -6.648
750 HG1 THR 99 HG1 THR 99 -2.855 -7.008 -7.008
751 1HG2 THR 99 HG21 THR 99 -5.982 -4.741 -4.741
752 2HG2 THR 99 HG22 THR 99 -4.699 -4.371 -4.371
753 3HG2 THR 99 HG23 THR 99 -5.546 -5.936 -5.936
754 H LEU 100 HN LEU 100 -4.533 -5.941 -5.941
755 HA LEU 100 HA LEU 100 -2.279 -5.835 -5.835
756 1HB LEU 100 HB2 LEU 100 -3.534 -6.956 -6.956
757 2HB LEU 100 HB3 LEU 100 -4.785 -6.277 -6.277
758 HG LEU 100 HG LEU 100 -3.859 -8.994 -8.994
759 1HD1 LEU 100 HD11 LEU 100 -5.160 -8.397 -8.397
760 2HD1 LEU 100 HD12 LEU 100 -5.472 -9.928 -9.928
761 3HD1 LEU 100 HD13 LEU 100 -3.812 -9.495 -9.495
762 1HD2 LEU 100 HD23 LEU 100 -6.329 -7.357 -7.357
763 2HD2 LEU 100 HD21 LEU 100 -5.640 -8.483 -8.483
764 3HD2 LEU 100 HD22 LEU 100 -6.546 -9.112 -9.112
765 H CYS 101 HN CYS 101 -3.164 -7.944 -7.944
766 HA CYS 101 HA CYS 101 -1.380 -10.029 -10.029
767 1HB CYS 101 HB2 CYS 101 -1.965 -10.143 -10.143
768 2HB CYS 101 HB3 CYS 101 -2.525 -11.183 -11.183
769 H ASP 102 HN ASP 102 -1.355 -7.059 -7.059
770 HA ASP 102 HA ASP 102 1.090 -7.680 -7.680
771 1HB ASP 102 HB2 ASP 102 -0.869 -5.952 -5.952
772 2HB ASP 102 HB3 ASP 102 0.090 -4.851 -4.851
773 H PHE 103 HN PHE 103 2.967 -5.875 -5.875
774 HA PHE 103 HA PHE 103 3.826 -6.036 -6.036
775 1HB PHE 103 HB2 PHE 103 5.443 -6.100 -6.100
776 2HB PHE 103 HB3 PHE 103 4.725 -4.710 -4.710
777 HD1 PHE 103 HD2 PHE 103 5.234 -4.551 -4.551
778 HD2 PHE 103 HD1 PHE 103 6.975 -3.723 -3.723
779 HE1 PHE 103 HE2 PHE 103 6.920 -3.056 -3.056
780 HE2 PHE 103 HE1 PHE 103 8.661 -2.227 -2.227
781 HZ PHE 103 HZ PHE 103 8.613 -1.911 -1.911
782 H ILE 104 HN ILE 104 3.294 -4.702 -4.702
783 HA ILE 104 HA ILE 104 3.287 -1.892 -1.892
784 HB ILE 104 HB ILE 104 0.834 -1.742 -1.742
785 1HG1 ILE 104 HG12 ILE 104 0.778 -4.399 -4.399
786 2HG1 ILE 104 HG13 ILE 104 0.444 -4.142 -4.142
787 1HG2 ILE 104 HG22 ILE 104 2.079 -1.259 -1.259
788 2HG2 ILE 104 HG23 ILE 104 0.769 -2.359 -2.359
789 3HG2 ILE 104 HG21 ILE 104 0.388 -0.852 -0.852
790 1HD1 ILE 104 HD12 ILE 104 -1.386 -2.457 -2.457
791 2HD1 ILE 104 HD13 ILE 104 -1.190 -3.251 -3.251
792 3HD1 ILE 104 HD11 ILE 104 -1.710 -4.199 -4.199
793 H VAL 105 HN VAL 105 3.695 -0.897 -0.897
794 HA VAL 105 HA VAL 105 3.020 -2.237 -2.237
795 HB VAL 105 HB VAL 105 5.693 -1.867 -1.867
796 1HG1 VAL 105 HG13 VAL 105 3.836 -4.113 -4.113
797 2HG1 VAL 105 HG11 VAL 105 5.529 -4.555 -4.555
798 3HG1 VAL 105 HG12 VAL 105 5.083 -3.824 -3.824
799 1HG2 VAL 105 HG22 VAL 105 5.375 -2.966 -2.966
800 2HG2 VAL 105 HG23 VAL 105 6.282 -1.519 -1.519
801 3HG2 VAL 105 HG21 VAL 105 6.849 -3.138 -3.138
802 HA PRO 106 HA PRO 106 3.123 1.883 1.883
803 1HB PRO 106 HB2 PRO 106 3.447 1.650 1.650
804 2HB PRO 106 HB3 PRO 106 1.909 1.410 1.410
805 1HG PRO 106 HG2 PRO 106 3.745 -0.613 -0.613
806 2HG PRO 106 HG3 PRO 106 2.050 -0.777 -0.777
807 1HD PRO 106 HD2 PRO 106 4.288 -1.754 -1.754
808 2HD PRO 106 HD3 PRO 106 2.601 -1.817 -1.817
809 H TRP 107 HN TRP 107 5.776 0.291 0.291
810 HA TRP 107 HA TRP 107 7.892 0.935 0.935
811 1HB TRP 107 HB2 TRP 107 6.918 3.167 3.167
812 2HB TRP 107 HB3 TRP 107 7.075 3.620 3.620
813 HD1 TRP 107 HD1 TRP 107 9.611 2.076 2.076
814 HE1 TRP 107 HE1 TRP 107 11.919 3.350 3.350
815 HE3 TRP 107 HE3 TRP 107 8.212 5.360 5.360
816 HZ2 TRP 107 HZ2 TRP 107 12.879 5.539 5.539
817 HZ3 TRP 107 HZ3 TRP 107 9.895 7.034 7.034
818 HH2 TRP 107 HH2 TRP 107 12.159 7.156 7.156
819 H ASP 108 HN ASP 108 6.558 2.514 2.514
820 HA ASP 108 HA ASP 108 8.826 1.863 1.863
821 1HB ASP 108 HB2 ASP 108 7.254 3.710 3.710
822 2HB ASP 108 HB3 ASP 108 5.981 2.547 2.547
823 H THR 109 HN THR 109 8.313 -0.546 -0.546
824 HA THR 109 HA THR 109 7.655 -2.221 -2.221
825 HB THR 109 HB THR 109 5.864 -3.424 -3.424
826 HG1 THR 109 HG1 THR 109 6.162 -2.130 -2.130
827 1HG2 THR 109 HG22 THR 109 5.376 -1.992 -1.992
828 2HG2 THR 109 HG23 THR 109 5.074 -0.648 -0.648
829 3HG2 THR 109 HG21 THR 109 4.065 -2.112 -2.112
830 H LEU 110 HN LEU 110 8.073 -2.116 -2.116
831 HA LEU 110 HA LEU 110 8.890 -4.080 -4.080
832 1HB LEU 110 HB2 LEU 110 11.155 -2.273 -2.273
833 2HB LEU 110 HB3 LEU 110 11.173 -3.365 -3.365
834 HG LEU 110 HG LEU 110 9.233 -1.056 -1.056
835 1HD1 LEU 110 HD11 LEU 110 11.617 -0.314 -0.314
836 2HD1 LEU 110 HD12 LEU 110 11.765 -1.118 -1.118
837 3HD1 LEU 110 HD13 LEU 110 10.630 0.237 0.237
838 1HD2 LEU 110 HD22 LEU 110 9.225 -3.285 -3.285
839 2HD2 LEU 110 HD23 LEU 110 8.242 -1.806 -1.806
840 3HD2 LEU 110 HD21 LEU 110 9.796 -1.918 -1.918
841 H SER 111 HN SER 111 11.918 -3.754 -3.754
842 HA SER 111 HA SER 111 11.995 -5.142 -5.142
843 1HB SER 111 HB2 SER 111 11.039 -7.035 -7.035
844 2HB SER 111 HB3 SER 111 12.197 -7.659 -7.659
845 HG SER 111 HG SER 111 10.526 -6.442 -6.442
846 H THR 112 HN THR 112 13.026 -5.523 -5.523
847 HA THR 112 HA THR 112 15.518 -4.620 -4.620
848 HB THR 112 HB THR 112 15.308 -7.198 -7.198
849 HG1 THR 112 HG1 THR 112 16.360 -5.628 -5.628
850 1HG2 THR 112 HG21 THR 112 17.562 -6.626 -6.626
851 2HG2 THR 112 HG22 THR 112 17.696 -7.776 -7.776
852 3HG2 THR 112 HG23 THR 112 16.529 -8.076 -8.076
853 H THR 113 HN THR 113 14.308 -7.928 -7.928
854 HA THR 113 HA THR 113 15.533 -8.045 -8.045
855 HB THR 113 HB THR 113 12.891 -9.191 -9.191
856 HG1 THR 113 HG1 THR 113 14.354 -10.651 -10.651
857 1HG2 THR 113 HG22 THR 113 14.398 -9.590 -9.590
858 2HG2 THR 113 HG23 THR 113 13.775 -11.041 -11.041
859 3HG2 THR 113 HG21 THR 113 12.655 -9.751 -9.751
860 H GLN 114 HN GLN 114 12.908 -5.986 -5.986
861 HA GLN 114 HA GLN 114 12.074 -5.575 -5.575
862 1HB GLN 114 HB2 GLN 114 11.096 -4.710 -4.710
863 2HB GLN 114 HB3 GLN 114 10.642 -3.736 -3.736
864 1HG GLN 114 HG2 GLN 114 8.914 -5.239 -5.239
865 2HG GLN 114 HG3 GLN 114 10.102 -6.213 -6.213
866 1HE2 GLN 114 HE22 GLN 114 10.895 -8.240 -8.240
867 2HE2 GLN 114 HE21 GLN 114 11.693 -7.299 -7.299
868 H LYS 115 HN LYS 115 13.968 -3.993 -3.993
869 HA LYS 115 HA LYS 115 14.159 -1.490 -1.490
870 1HB LYS 115 HB2 LYS 115 15.149 -2.768 -2.768
871 2HB LYS 115 HB3 LYS 115 16.359 -1.739 -1.739
872 1HG LYS 115 HG2 LYS 115 15.119 0.199 0.199
873 2HG LYS 115 HG3 LYS 115 13.581 -0.618 -0.618
874 1HD LYS 115 HD2 LYS 115 15.368 -0.595 -0.595
875 2HD LYS 115 HD3 LYS 115 13.734 0.021 0.021
876 1HE LYS 115 HE2 LYS 115 13.092 -2.461 -2.461
877 2HE LYS 115 HE3 LYS 115 14.650 -2.873 -2.873
878 1HZ LYS 115 HZ3 LYS 115 13.849 -1.462 -1.462
879 2HZ LYS 115 HZ1 LYS 115 12.353 -1.662 -1.662
880 3HZ LYS 115 HZ2 LYS 115 13.229 -2.963 -2.963
881 H LYS 116 HN LYS 116 16.086 -4.520 -4.520
882 HA LYS 116 HA LYS 116 18.270 -3.485 -3.485
883 1HB LYS 116 HB2 LYS 116 18.931 -5.748 -5.748
884 2HB LYS 116 HB3 LYS 116 18.172 -5.637 -5.637
885 1HG LYS 116 HG2 LYS 116 16.713 -7.262 -7.262
886 2HG LYS 116 HG3 LYS 116 16.062 -6.204 -6.204
887 1HD LYS 116 HD2 LYS 116 18.636 -7.698 -7.698
888 2HD LYS 116 HD3 LYS 116 17.115 -8.562 -8.562
889 1HE LYS 116 HE2 LYS 116 16.804 -7.712 -7.712
890 2HE LYS 116 HE3 LYS 116 16.683 -6.108 -6.108
891 1HZ LYS 116 HZ3 LYS 116 19.272 -7.353 -7.353
892 2HZ LYS 116 HZ1 LYS 116 18.467 -6.461 -6.461
893 3HZ LYS 116 HZ2 LYS 116 18.961 -5.776 -5.776
894 H SER 117 HN SER 117 14.986 -4.150 -4.150
895 HA SER 117 HA SER 117 15.744 -4.355 -4.355
896 1HB SER 117 HB2 SER 117 13.679 -5.469 -5.469
897 2HB SER 117 HB3 SER 117 12.862 -4.171 -4.171
898 HG SER 117 HG SER 117 14.430 -6.300 -6.300
899 H LEU 118 HN LEU 118 15.075 -1.961 -1.961
900 HA LEU 118 HA LEU 118 13.776 -0.151 -0.151
901 1HB LEU 118 HB2 LEU 118 14.531 -0.008 -0.008
902 2HB LEU 118 HB3 LEU 118 13.962 1.394 1.394
903 HG LEU 118 HG LEU 118 12.259 -1.030 -1.030
904 1HD1 LEU 118 HD11 LEU 118 13.051 0.113 0.113
905 2HD1 LEU 118 HD12 LEU 118 11.293 0.020 0.020
906 3HD1 LEU 118 HD13 LEU 118 12.291 -1.448 -1.448
907 1HD2 LEU 118 HD22 LEU 118 12.035 1.846 1.846
908 2HD2 LEU 118 HD23 LEU 118 10.961 0.549 0.549
909 3HD2 LEU 118 HD21 LEU 118 10.765 1.200 1.200
910 H ASN 119 HN ASN 119 16.842 -1.315 -1.315
911 HA ASN 119 HA ASN 119 18.297 1.088 1.088
912 1HB ASN 119 HB2 ASN 119 18.892 -1.795 -1.795
913 2HB ASN 119 HB3 ASN 119 20.077 -0.566 -0.566
914 1HD2 ASN 119 HD22 ASN 119 20.230 -2.163 -2.163
915 2HD2 ASN 119 HD21 ASN 119 19.692 -2.847 -2.847
916 H HIS 120 HN HIS 120 17.215 -1.222 -1.222
917 HA HIS 120 HA HIS 120 18.309 0.420 0.420
918 1HB HIS 120 HB2 HIS 120 16.826 -2.174 -2.174
919 2HB HIS 120 HB3 HIS 120 16.818 -1.312 -1.312
920 HD1 HIS 120 HD1 HIS 120 18.281 -3.144 -3.144
921 HD2 HIS 120 HD2 HIS 120 20.118 -1.254 -1.254
922 HE1 HIS 120 HE1 HIS 120 20.744 -3.803 -3.803
923 H ARG 121 HN ARG 121 15.163 -0.848 -0.848
924 HA ARG 121 HA ARG 121 13.880 1.641 1.641
925 1HB ARG 121 HB2 ARG 121 13.497 0.697 0.697
926 2HB ARG 121 HB3 ARG 121 13.404 2.324 2.324
927 1HG ARG 121 HG2 ARG 121 16.064 1.717 1.717
928 2HG ARG 121 HG3 ARG 121 15.769 0.817 0.817
929 1HD ARG 121 HD2 ARG 121 14.654 3.038 3.038
930 2HD ARG 121 HD3 ARG 121 15.490 3.809 3.809
931 HE ARG 121 HE ARG 121 16.714 2.694 2.694
932 1HH1 ARG 121 HH22 ARG 121 17.272 3.673 3.673
933 2HH1 ARG 121 HH21 ARG 121 18.973 3.910 3.910
934 1HH2 ARG 121 HH12 ARG 121 18.959 3.006 3.006
935 2HH2 ARG 121 HH11 ARG 121 19.939 3.529 3.529
936 H TYR 122 HN TYR 122 13.305 -1.150 -1.150
937 HA TYR 122 HA TYR 122 11.106 -2.001 -2.001
938 1HB TYR 122 HB2 TYR 122 9.668 -2.112 -2.112
939 2HB TYR 122 HB3 TYR 122 10.382 -0.512 -0.512
940 HD1 TYR 122 HD2 TYR 122 10.347 -3.780 -3.780
941 HD2 TYR 122 HD1 TYR 122 12.070 0.136 0.136
942 HE1 TYR 122 HE2 TYR 122 11.261 -4.154 -4.154
943 HE2 TYR 122 HE1 TYR 122 12.979 -0.252 -0.252
944 HH TYR 122 HH TYR 122 11.894 -2.660 -2.660
945 H GLN 123 HN GLN 123 14.027 -2.782 -2.782
946 HA GLN 123 HA GLN 123 13.457 -5.548 -5.548
947 1HB GLN 123 HB2 GLN 123 13.111 -4.591 -4.591
948 2HB GLN 123 HB3 GLN 123 14.835 -4.898 -4.898
949 1HG GLN 123 HG2 GLN 123 13.556 -7.150 -7.150
950 2HG GLN 123 HG3 GLN 123 12.685 -6.802 -6.802
951 1HE2 GLN 123 HE22 GLN 123 15.233 -9.140 -9.140
952 2HE2 GLN 123 HE21 GLN 123 13.735 -9.071 -9.071
953 H MET 124 HN MET 124 14.911 -4.853 -4.853
954 HA MET 124 HA MET 124 17.502 -3.970 -3.970
955 1HB MET 124 HB2 MET 124 15.855 -4.472 -4.472
956 2HB MET 124 HB3 MET 124 17.202 -5.574 -5.574
957 1HG MET 124 HG2 MET 124 17.977 -2.815 -2.815
958 2HG MET 124 HG3 MET 124 17.234 -2.915 -2.915
959 1HE MET 124 HE3 MET 124 19.478 -4.450 -4.450
960 2HE MET 124 HE1 MET 124 20.975 -3.785 -3.785
961 3HE MET 124 HE2 MET 124 20.583 -5.509 -5.509
962 H GLY 125 HN GLY 125 17.437 -5.833 -5.833
963 1HA GLY 125 HA1 GLY 125 18.219 -7.818 -7.818
964 2HA GLY 125 HA2 GLY 125 19.582 -7.435 -7.435
965 H CYS 126 HN CYS 126 16.368 -7.946 -7.946
966 HA CYS 126 HA CYS 126 17.337 -9.941 -9.941
967 1HB CYS 126 HB2 CYS 126 15.332 -9.820 -9.820
968 2HB CYS 126 HB3 CYS 126 15.287 -8.297 -8.297
969 H GLU 127 HN GLU 127 15.448 -12.005 -12.005
970 HA GLU 127 HA GLU 127 14.813 -13.040 -13.040
971 1HB GLU 127 HB2 GLU 127 17.303 -13.191 -13.191
972 2HB GLU 127 HB3 GLU 127 17.381 -14.225 -14.225
973 1HG GLU 127 HG2 GLU 127 17.061 -15.986 -15.986
974 2HG GLU 127 HG3 GLU 127 15.402 -15.446 -15.446
Start of MODEL 49
1 H CYS 1 HN CYS 1 -12.569 -11.275 -11.275
2 HA CYS 1 HA CYS 1 -10.522 -12.513 -12.513
3 1HB CYS 1 HB2 CYS 1 -9.027 -10.321 -10.321
4 2HB CYS 1 HB3 CYS 1 -9.795 -10.703 -10.703
5 H SER 2 HN SER 2 -8.288 -12.026 -12.026
6 HA SER 2 HA SER 2 -8.301 -11.277 -11.277
7 1HB SER 2 HB2 SER 2 -8.602 -13.794 -13.794
8 2HB SER 2 HB3 SER 2 -9.865 -12.579 -12.579
9 HG SER 2 HG SER 2 -9.640 -14.935 -14.935
10 H CYS 3 HN CYS 3 -6.506 -11.544 -11.544
11 HA CYS 3 HA CYS 3 -4.922 -13.826 -13.826
12 1HB CYS 3 HB2 CYS 3 -5.025 -11.580 -11.580
13 2HB CYS 3 HB3 CYS 3 -3.558 -11.289 -11.289
14 H SER 4 HN SER 4 -2.314 -13.196 -13.196
15 HA SER 4 HA SER 4 -2.372 -12.083 -12.083
16 1HB SER 4 HB2 SER 4 -0.704 -13.902 -13.902
17 2HB SER 4 HB3 SER 4 -2.353 -14.441 -14.441
18 HG SER 4 HG SER 4 -0.167 -14.660 -14.660
19 HA PRO 5 HA PRO 5 1.046 -9.970 -9.970
20 1HB PRO 5 HB2 PRO 5 1.708 -8.439 -8.439
21 2HB PRO 5 HB3 PRO 5 0.449 -7.998 -7.998
22 1HG PRO 5 HG2 PRO 5 0.178 -9.071 -9.071
23 2HG PRO 5 HG3 PRO 5 -1.016 -8.238 -8.238
24 1HD PRO 5 HD2 PRO 5 -0.881 -11.058 -11.058
25 2HD PRO 5 HD3 PRO 5 -2.002 -10.239 -10.239
26 H VAL 6 HN VAL 6 2.743 -11.198 -11.198
27 HA VAL 6 HA VAL 6 4.457 -11.892 -11.892
28 HB VAL 6 HB VAL 6 3.091 -13.822 -13.822
29 1HG1 VAL 6 HG11 VAL 6 3.961 -12.872 -12.872
30 2HG1 VAL 6 HG12 VAL 6 4.617 -14.509 -14.509
31 3HG1 VAL 6 HG13 VAL 6 2.864 -14.224 -14.224
32 1HG2 VAL 6 HG21 VAL 6 6.009 -13.683 -13.683
33 2HG2 VAL 6 HG22 VAL 6 4.833 -14.797 -14.797
34 3HG2 VAL 6 HG23 VAL 6 5.452 -15.115 -15.115
35 H HIS 7 HN HIS 7 5.971 -13.290 -13.290
36 HA HIS 7 HA HIS 7 7.941 -12.670 -12.670
37 1HB HIS 7 HB2 HIS 7 7.345 -10.899 -10.899
38 2HB HIS 7 HB3 HIS 7 6.946 -12.604 -12.604
39 HD1 HIS 7 HD1 HIS 7 4.599 -13.008 -13.008
40 HD2 HIS 7 HD2 HIS 7 4.980 -9.430 -9.430
41 HE1 HIS 7 HE1 HIS 7 2.274 -11.957 -11.957
42 HA PRO 8 HA PRO 8 8.887 -9.014 -9.014
43 1HB PRO 8 HB2 PRO 8 11.275 -9.897 -9.897
44 2HB PRO 8 HB3 PRO 8 9.748 -10.132 -10.132
45 1HG PRO 8 HG2 PRO 8 11.366 -12.101 -12.101
46 2HG PRO 8 HG3 PRO 8 10.092 -12.388 -12.388
47 1HD PRO 8 HD2 PRO 8 9.888 -12.613 -12.613
48 2HD PRO 8 HD3 PRO 8 8.587 -12.787 -12.787
49 H GLN 9 HN GLN 9 10.160 -10.469 -10.469
50 HA GLN 9 HA GLN 9 11.655 -8.028 -8.028
51 1HB GLN 9 HB2 GLN 9 13.463 -9.455 -9.455
52 2HB GLN 9 HB3 GLN 9 12.653 -10.869 -10.869
53 1HG GLN 9 HG2 GLN 9 13.309 -10.432 -10.432
54 2HG GLN 9 HG3 GLN 9 13.096 -8.701 -8.701
55 1HE2 GLN 9 HE22 GLN 9 16.342 -8.039 -8.039
56 2HE2 GLN 9 HE21 GLN 9 14.677 -7.564 -7.564
57 H GLN 10 HN GLN 10 10.134 -11.033 -11.033
58 HA GLN 10 HA GLN 10 10.189 -10.305 -10.305
59 1HB GLN 10 HB2 GLN 10 7.866 -11.851 -11.851
60 2HB GLN 10 HB3 GLN 10 8.693 -12.100 -12.100
61 1HG GLN 10 HG2 GLN 10 10.801 -12.554 -12.554
62 2HG GLN 10 HG3 GLN 10 9.554 -12.900 -12.900
63 1HE2 GLN 10 HE22 GLN 10 9.987 -16.186 -16.186
64 2HE2 GLN 10 HE21 GLN 10 10.518 -15.041 -15.041
65 H ALA 11 HN ALA 11 8.579 -8.786 -8.786
66 HA ALA 11 HA ALA 11 6.279 -7.933 -7.933
67 1HB ALA 11 HB1 ALA 11 7.212 -7.935 -7.935
68 2HB ALA 11 HB2 ALA 11 6.549 -6.349 -6.349
69 3HB ALA 11 HB3 ALA 11 5.555 -7.816 -7.816
70 H PHE 12 HN PHE 12 9.514 -6.724 -6.724
71 HA PHE 12 HA PHE 12 8.940 -4.125 -4.125
72 1HB PHE 12 HB2 PHE 12 11.425 -5.525 -5.525
73 2HB PHE 12 HB3 PHE 12 11.417 -3.839 -3.839
74 HD1 PHE 12 HD1 PHE 12 8.913 -5.858 -5.858
75 HD2 PHE 12 HD2 PHE 12 11.597 -2.571 -2.571
76 HE1 PHE 12 HE1 PHE 12 8.101 -5.214 -5.214
77 HE2 PHE 12 HE2 PHE 12 10.785 -1.927 -1.927
78 HZ PHE 12 HZ PHE 12 9.048 -3.257 -3.257
79 H CYS 13 HN CYS 13 9.640 -7.134 -7.134
80 HA CYS 13 HA CYS 13 11.337 -5.992 -5.992
81 1HB CYS 13 HB2 CYS 13 11.076 -8.689 -8.689
82 2HB CYS 13 HB3 CYS 13 11.307 -8.646 -8.646
83 H ASN 14 HN ASN 14 8.130 -6.941 -6.941
84 HA ASN 14 HA ASN 14 7.411 -7.538 -7.538
85 1HB ASN 14 HB2 ASN 14 6.400 -8.255 -8.255
86 2HB ASN 14 HB3 ASN 14 5.131 -7.350 -7.350
87 1HD2 ASN 14 HD22 ASN 14 6.058 -11.159 -11.159
88 2HD2 ASN 14 HD21 ASN 14 6.794 -10.291 -10.291
89 H ALA 15 HN ALA 15 6.950 -5.139 -5.139
90 HA ALA 15 HA ALA 15 4.948 -3.597 -3.597
91 1HB ALA 15 HB3 ALA 15 7.329 -2.874 -2.874
92 2HB ALA 15 HB1 ALA 15 5.963 -1.780 -1.780
93 3HB ALA 15 HB2 ALA 15 5.690 -3.315 -3.315
94 H ASP 16 HN ASP 16 5.358 -1.209 -1.209
95 HA ASP 16 HA ASP 16 7.698 -1.013 -1.013
96 1HB ASP 16 HB2 ASP 16 4.929 -1.487 -1.487
97 2HB ASP 16 HB3 ASP 16 5.849 -0.240 -0.240
98 H VAL 17 HN VAL 17 6.029 0.265 0.265
99 HA VAL 17 HA VAL 17 6.563 2.956 2.956
100 HB VAL 17 HB VAL 17 4.513 2.723 2.723
101 1HG1 VAL 17 HG11 VAL 17 3.697 0.840 0.840
102 2HG1 VAL 17 HG12 VAL 17 2.876 2.216 2.216
103 3HG1 VAL 17 HG13 VAL 17 2.537 1.822 1.822
104 1HG2 VAL 17 HG23 VAL 17 5.058 4.814 4.814
105 2HG2 VAL 17 HG21 VAL 17 3.386 4.628 4.628
106 3HG2 VAL 17 HG22 VAL 17 3.785 4.259 4.259
107 H VAL 18 HN VAL 18 7.879 2.521 2.521
108 HA VAL 18 HA VAL 18 6.363 2.108 2.108
109 HB VAL 18 HB VAL 18 9.285 2.453 2.453
110 1HG1 VAL 18 HG13 VAL 18 7.155 1.000 1.000
111 2HG1 VAL 18 HG11 VAL 18 8.554 -0.043 -0.043
112 3HG1 VAL 18 HG12 VAL 18 8.774 1.460 1.460
113 1HG2 VAL 18 HG21 VAL 18 8.015 0.492 0.492
114 2HG2 VAL 18 HG22 VAL 18 9.589 1.315 1.315
115 3HG2 VAL 18 HG23 VAL 18 9.379 -0.073 -0.073
116 H ILE 19 HN ILE 19 5.692 3.808 3.808
117 HA ILE 19 HA ILE 19 7.363 6.184 6.184
118 HB ILE 19 HB ILE 19 5.614 7.686 7.686
119 1HG1 ILE 19 HG12 ILE 19 3.866 5.284 5.284
120 2HG1 ILE 19 HG13 ILE 19 3.614 6.928 6.928
121 1HG2 ILE 19 HG21 ILE 19 6.906 6.637 6.637
122 2HG2 ILE 19 HG22 ILE 19 5.569 5.483 5.483
123 3HG2 ILE 19 HG23 ILE 19 5.293 7.222 7.222
124 1HD1 ILE 19 HD12 ILE 19 3.441 7.575 7.575
125 2HD1 ILE 19 HD13 ILE 19 3.294 5.827 5.827
126 3HD1 ILE 19 HD11 ILE 19 2.085 6.660 6.660
127 H ARG 20 HN ARG 20 7.574 6.918 6.918
128 HA ARG 20 HA ARG 20 6.156 5.518 5.518
129 1HB ARG 20 HB2 ARG 20 8.243 7.731 7.731
130 2HB ARG 20 HB3 ARG 20 7.459 7.272 7.272
131 1HG ARG 20 HG2 ARG 20 8.334 5.053 5.053
132 2HG ARG 20 HG3 ARG 20 8.695 5.149 5.149
133 1HD ARG 20 HD2 ARG 20 10.666 5.384 5.384
134 2HD ARG 20 HD3 ARG 20 10.638 6.440 6.440
135 HE ARG 20 HE ARG 20 9.163 7.718 7.718
136 1HH1 ARG 20 HH22 ARG 20 12.473 6.774 6.774
137 2HH1 ARG 20 HH21 ARG 20 13.179 8.037 8.037
138 1HH2 ARG 20 HH12 ARG 20 10.093 9.385 9.385
139 2HH2 ARG 20 HH11 ARG 20 11.815 9.533 9.533
140 H THR 21 HN THR 21 4.394 7.024 7.024
141 HA THR 21 HA THR 21 3.715 9.541 9.541
142 HB THR 21 HB THR 21 2.974 8.730 8.730
143 HG1 THR 21 HG1 THR 21 1.549 10.131 10.131
144 1HG2 THR 21 HG22 THR 21 2.671 6.260 6.260
145 2HG2 THR 21 HG23 THR 21 1.046 6.829 6.829
146 3HG2 THR 21 HG21 THR 21 1.554 6.856 6.856
147 H LYS 22 HN LYS 22 1.500 10.031 10.031
148 HA LYS 22 HA LYS 22 1.047 8.104 8.104
149 1HB LYS 22 HB2 LYS 22 0.883 9.897 9.897
150 2HB LYS 22 HB3 LYS 22 2.436 9.992 9.992
151 1HG LYS 22 HG2 LYS 22 1.658 11.803 11.803
152 2HG LYS 22 HG3 LYS 22 0.008 11.612 11.612
153 1HD LYS 22 HD2 LYS 22 2.393 12.698 12.698
154 2HD LYS 22 HD3 LYS 22 0.862 13.486 13.486
155 1HE LYS 22 HE2 LYS 22 -0.229 11.592 11.592
156 2HE LYS 22 HE3 LYS 22 1.396 11.177 11.177
157 1HZ LYS 22 HZ1 LYS 22 0.485 13.938 13.938
158 2HZ LYS 22 HZ2 LYS 22 0.047 12.854 12.854
159 3HZ LYS 22 HZ3 LYS 22 1.628 13.164 13.164
160 H ALA 23 HN ALA 23 -0.995 7.349 7.349
161 HA ALA 23 HA ALA 23 -2.952 8.844 8.844
162 1HB ALA 23 HB1 ALA 23 -2.630 6.425 6.425
163 2HB ALA 23 HB2 ALA 23 -3.046 6.090 6.090
164 3HB ALA 23 HB3 ALA 23 -4.271 6.769 6.769
165 H VAL 24 HN VAL 24 -3.857 10.515 10.515
166 HA VAL 24 HA VAL 24 -4.607 9.955 9.955
167 HB VAL 24 HB VAL 24 -4.859 12.526 12.526
168 1HG1 VAL 24 HG11 VAL 24 -2.332 10.913 10.913
169 2HG1 VAL 24 HG12 VAL 24 -2.224 12.685 12.685
170 3HG1 VAL 24 HG13 VAL 24 -3.164 11.770 11.770
171 1HG2 VAL 24 HG23 VAL 24 -4.563 12.485 12.485
172 2HG2 VAL 24 HG21 VAL 24 -3.817 13.789 13.789
173 3HG2 VAL 24 HG22 VAL 24 -2.825 12.425 12.425
174 H SER 25 HN SER 25 -5.743 10.922 10.922
175 HA SER 25 HA SER 25 -8.442 10.976 10.976
176 1HB SER 25 HB2 SER 25 -8.318 12.996 12.996
177 2HB SER 25 HB3 SER 25 -7.070 12.448 12.448
178 HG SER 25 HG SER 25 -9.254 12.849 12.849
179 H GLU 26 HN GLU 26 -10.144 10.190 10.190
180 HA GLU 26 HA GLU 26 -9.102 8.170 8.170
181 1HB GLU 26 HB2 GLU 26 -9.164 6.704 6.704
182 2HB GLU 26 HB3 GLU 26 -10.546 7.496 7.496
183 1HG GLU 26 HG2 GLU 26 -10.910 6.182 6.182
184 2HG GLU 26 HG3 GLU 26 -10.800 5.155 5.155
185 H LYS 27 HN LYS 27 -10.740 7.388 7.388
186 HA LYS 27 HA LYS 27 -13.198 8.991 8.991
187 1HB LYS 27 HB2 LYS 27 -11.528 9.890 9.890
188 2HB LYS 27 HB3 LYS 27 -11.555 8.356 8.356
189 1HG LYS 27 HG2 LYS 27 -13.685 8.699 8.699
190 2HG LYS 27 HG3 LYS 27 -14.227 9.609 9.609
191 1HD LYS 27 HD2 LYS 27 -13.946 10.980 10.980
192 2HD LYS 27 HD3 LYS 27 -13.102 11.612 11.612
193 1HE LYS 27 HE2 LYS 27 -11.018 10.336 10.336
194 2HE LYS 27 HE3 LYS 27 -11.895 10.017 10.017
195 1HZ LYS 27 HZ1 LYS 27 -12.254 12.528 12.528
196 2HZ LYS 27 HZ2 LYS 27 -11.011 12.585 12.585
197 3HZ LYS 27 HZ3 LYS 27 -10.787 11.957 11.957
198 H GLU 28 HN GLU 28 -14.754 7.545 7.545
199 HA GLU 28 HA GLU 28 -14.497 4.823 4.823
200 1HB GLU 28 HB2 GLU 28 -15.657 5.365 5.365
201 2HB GLU 28 HB3 GLU 28 -16.724 6.494 6.494
202 1HG GLU 28 HG2 GLU 28 -17.204 4.147 4.147
203 2HG GLU 28 HG3 GLU 28 -16.906 3.536 3.536
204 H VAL 29 HN VAL 29 -14.390 4.548 4.548
205 HA VAL 29 HA VAL 29 -16.704 5.551 5.551
206 HB VAL 29 HB VAL 29 -15.304 5.257 5.257
207 1HG1 VAL 29 HG12 VAL 29 -15.048 7.219 7.219
208 2HG1 VAL 29 HG13 VAL 29 -13.368 6.788 6.788
209 3HG1 VAL 29 HG11 VAL 29 -14.483 7.321 7.321
210 1HG2 VAL 29 HG22 VAL 29 -13.645 3.740 3.740
211 2HG2 VAL 29 HG23 VAL 29 -13.642 3.763 3.763
212 3HG2 VAL 29 HG21 VAL 29 -12.703 4.972 4.972
213 H ASP 30 HN ASP 30 -18.223 4.125 4.125
214 HA ASP 30 HA ASP 30 -18.013 1.455 1.455
215 1HB ASP 30 HB2 ASP 30 -19.938 3.145 3.145
216 2HB ASP 30 HB3 ASP 30 -20.051 1.415 1.415
217 H SER 31 HN SER 31 -18.257 -0.447 -0.447
218 HA SER 31 HA SER 31 -17.208 0.145 0.145
219 1HB SER 31 HB2 SER 31 -15.130 -0.311 -0.311
220 2HB SER 31 HB3 SER 31 -15.805 -1.520 -1.520
221 HG SER 31 HG SER 31 -16.135 -2.902 -2.902
222 H GLY 32 HN GLY 32 -19.729 -0.897 -0.897
223 1HA GLY 32 HA1 GLY 32 -21.413 -2.260 -2.260
224 2HA GLY 32 HA2 GLY 32 -20.371 -2.950 -2.950
225 H ASN 33 HN ASN 33 -21.875 -4.806 -4.806
226 HA ASN 33 HA ASN 33 -20.660 -5.787 -5.787
227 1HB ASN 33 HB2 ASN 33 -22.589 -7.332 -7.332
228 2HB ASN 33 HB3 ASN 33 -22.384 -7.473 -7.473
229 1HD2 ASN 33 HD22 ASN 33 -24.119 -4.419 -4.419
230 2HD2 ASN 33 HD21 ASN 33 -22.716 -5.346 -5.346
231 H ASP 34 HN ASP 34 -19.878 -8.180 -8.180
232 HA ASP 34 HA ASP 34 -18.173 -8.549 -8.549
233 1HB ASP 34 HB2 ASP 34 -17.611 -8.750 -8.750
234 2HB ASP 34 HB3 ASP 34 -18.201 -10.387 -10.387
235 H ILE 35 HN ILE 35 -17.836 -11.443 -11.443
236 HA ILE 35 HA ILE 35 -20.195 -12.306 -12.306
237 HB ILE 35 HB ILE 35 -17.653 -13.752 -13.752
238 1HG1 ILE 35 HG12 ILE 35 -17.196 -13.444 -13.444
239 2HG1 ILE 35 HG13 ILE 35 -18.495 -12.267 -12.267
240 1HG2 ILE 35 HG21 ILE 35 -20.071 -14.578 -14.578
241 2HG2 ILE 35 HG22 ILE 35 -18.463 -15.235 -15.235
242 3HG2 ILE 35 HG23 ILE 35 -19.154 -15.479 -15.479
243 1HD1 ILE 35 HD13 ILE 35 -16.324 -12.030 -12.030
244 2HD1 ILE 35 HD11 ILE 35 -16.005 -11.480 -11.480
245 3HD1 ILE 35 HD12 ILE 35 -17.332 -10.754 -10.754
246 H TYR 36 HN TYR 36 -19.592 -11.764 -11.764
247 HA TYR 36 HA TYR 36 -21.018 -14.184 -14.184
248 1HB TYR 36 HB2 TYR 36 -18.663 -13.095 -13.095
249 2HB TYR 36 HB3 TYR 36 -19.749 -12.077 -12.077
250 HD1 TYR 36 HD1 TYR 36 -19.804 -15.742 -15.742
251 HD2 TYR 36 HD2 TYR 36 -19.752 -12.747 -12.747
252 HE1 TYR 36 HE1 TYR 36 -19.986 -17.546 -17.546
253 HE2 TYR 36 HE2 TYR 36 -19.934 -14.561 -14.561
254 HH TYR 36 HH TYR 36 -20.321 -17.955 -17.955
255 H GLY 37 HN GLY 37 -21.624 -11.053 -11.053
256 1HA GLY 37 HA1 GLY 37 -23.661 -9.996 -9.996
257 2HA GLY 37 HA2 GLY 37 -24.140 -11.002 -11.002
258 H ASN 38 HN ASN 38 -21.119 -10.185 -10.185
259 HA ASN 38 HA ASN 38 -22.108 -8.194 -8.194
260 1HB ASN 38 HB2 ASN 38 -19.605 -8.174 -8.174
261 2HB ASN 38 HB3 ASN 38 -20.486 -9.673 -9.673
262 1HD2 ASN 38 HD22 ASN 38 -17.230 -10.520 -10.520
263 2HD2 ASN 38 HD21 ASN 38 -17.834 -9.806 -9.806
264 HA PRO 39 HA PRO 39 -20.639 -4.747 -4.747
265 1HB PRO 39 HB2 PRO 39 -20.221 -2.892 -2.892
266 2HB PRO 39 HB3 PRO 39 -21.806 -3.260 -3.260
267 1HG PRO 39 HG2 PRO 39 -20.634 -4.052 -4.052
268 2HG PRO 39 HG3 PRO 39 -22.318 -4.036 -4.036
269 1HD PRO 39 HD2 PRO 39 -20.617 -6.335 -6.335
270 2HD PRO 39 HD3 PRO 39 -22.264 -6.304 -6.304
271 H ILE 40 HN ILE 40 -18.843 -4.261 -4.261
272 HA ILE 40 HA ILE 40 -16.421 -5.295 -5.295
273 HB ILE 40 HB ILE 40 -17.140 -3.438 -3.438
274 1HG1 ILE 40 HG12 ILE 40 -16.377 -6.367 -6.367
275 2HG1 ILE 40 HG13 ILE 40 -17.949 -5.704 -5.704
276 1HG2 ILE 40 HG21 ILE 40 -14.853 -2.924 -2.924
277 2HG2 ILE 40 HG22 ILE 40 -14.414 -4.635 -4.635
278 3HG2 ILE 40 HG23 ILE 40 -14.882 -3.648 -3.648
279 1HD1 ILE 40 HD12 ILE 40 -15.401 -5.191 -5.191
280 2HD1 ILE 40 HD13 ILE 40 -16.653 -6.382 -6.382
281 3HD1 ILE 40 HD11 ILE 40 -17.041 -4.646 -4.646
282 H LYS 41 HN LYS 41 -16.866 -1.827 -1.827
283 HA LYS 41 HA LYS 41 -16.301 0.043 0.043
284 1HB LYS 41 HB2 LYS 41 -17.640 -0.765 -0.765
285 2HB LYS 41 HB3 LYS 41 -16.259 -1.635 -1.635
286 1HG LYS 41 HG2 LYS 41 -16.327 0.429 0.429
287 2HG LYS 41 HG3 LYS 41 -15.007 0.605 0.605
288 1HD LYS 41 HD2 LYS 41 -16.187 2.641 2.641
289 2HD LYS 41 HD3 LYS 41 -16.767 1.691 1.691
290 1HE LYS 41 HE2 LYS 41 -18.675 0.919 0.919
291 2HE LYS 41 HE3 LYS 41 -18.185 2.281 2.281
292 1HZ LYS 41 HZ2 LYS 41 -18.662 2.707 2.707
293 2HZ LYS 41 HZ3 LYS 41 -19.943 2.579 2.579
294 3HZ LYS 41 HZ1 LYS 41 -18.832 3.753 3.753
295 H ARG 42 HN ARG 42 -14.385 1.041 1.041
296 HA ARG 42 HA ARG 42 -12.029 -0.434 -0.434
297 1HB ARG 42 HB2 ARG 42 -11.155 1.064 1.064
298 2HB ARG 42 HB3 ARG 42 -11.491 -0.656 -0.656
299 1HG ARG 42 HG2 ARG 42 -13.940 -0.064 -0.064
300 2HG ARG 42 HG3 ARG 42 -13.416 1.594 1.594
301 1HD ARG 42 HD2 ARG 42 -11.634 0.548 0.548
302 2HD ARG 42 HD3 ARG 42 -12.697 -0.844 -0.844
303 HE ARG 42 HE ARG 42 -14.080 1.707 1.707
304 1HH1 ARG 42 HH22 ARG 42 -12.422 -1.020 -1.020
305 2HH1 ARG 42 HH21 ARG 42 -13.164 -0.792 -0.792
306 1HH2 ARG 42 HH12 ARG 42 -15.059 2.007 2.007
307 2HH2 ARG 42 HH11 ARG 42 -14.674 0.942 0.942
308 H ILE 43 HN ILE 43 -12.655 1.172 1.172
309 HA ILE 43 HA ILE 43 -12.657 3.818 3.818
310 HB ILE 43 HB ILE 43 -11.876 1.767 1.767
311 1HG1 ILE 43 HG12 ILE 43 -12.751 3.593 3.593
312 2HG1 ILE 43 HG13 ILE 43 -13.120 4.511 4.511
313 1HG2 ILE 43 HG23 ILE 43 -10.241 4.310 4.310
314 2HG2 ILE 43 HG21 ILE 43 -10.489 3.253 3.253
315 3HG2 ILE 43 HG22 ILE 43 -9.663 2.627 2.627
316 1HD1 ILE 43 HD13 ILE 43 -14.055 1.836 1.836
317 2HD1 ILE 43 HD11 ILE 43 -14.608 2.333 2.333
318 3HD1 ILE 43 HD12 ILE 43 -15.022 3.318 3.318
319 H GLN 44 HN GLN 44 -11.218 5.584 5.584
320 HA GLN 44 HA GLN 44 -8.904 4.955 4.955
321 1HB GLN 44 HB2 GLN 44 -10.262 7.581 7.581
322 2HB GLN 44 HB3 GLN 44 -8.797 7.502 7.502
323 1HG GLN 44 HG2 GLN 44 -11.546 6.404 6.404
324 2HG GLN 44 HG3 GLN 44 -10.611 7.601 7.601
325 1HE2 GLN 44 HE22 GLN 44 -9.863 3.556 3.556
326 2HE2 GLN 44 HE21 GLN 44 -10.819 4.217 4.217
327 H TYR 45 HN TYR 45 -7.001 6.782 6.782
328 HA TYR 45 HA TYR 45 -6.543 6.718 6.718
329 1HB TYR 45 HB2 TYR 45 -5.047 5.495 5.495
330 2HB TYR 45 HB3 TYR 45 -4.048 6.256 6.256
331 HD1 TYR 45 HD2 TYR 45 -6.023 5.513 5.513
332 HD2 TYR 45 HD1 TYR 45 -4.182 3.270 3.270
333 HE1 TYR 45 HE2 TYR 45 -6.157 3.405 3.405
334 HE2 TYR 45 HE1 TYR 45 -4.322 1.170 1.170
335 HH TYR 45 HH TYR 45 -4.567 1.069 1.069
336 H GLU 46 HN GLU 46 -7.331 9.035 9.035
337 HA GLU 46 HA GLU 46 -5.701 10.676 10.676
338 1HB GLU 46 HB2 GLU 46 -8.141 10.980 10.980
339 2HB GLU 46 HB3 GLU 46 -7.249 11.776 11.776
340 1HG GLU 46 HG2 GLU 46 -6.344 13.426 13.426
341 2HG GLU 46 HG3 GLU 46 -6.796 12.503 12.503
342 H ILE 47 HN ILE 47 -3.582 9.716 9.716
343 HA ILE 47 HA ILE 47 -2.779 10.335 10.335
344 HB ILE 47 HB ILE 47 -0.527 9.801 9.801
345 1HG1 ILE 47 HG12 ILE 47 -1.901 10.030 10.030
346 2HG1 ILE 47 HG13 ILE 47 -0.318 10.596 10.596
347 1HG2 ILE 47 HG21 ILE 47 -2.799 8.120 8.120
348 2HG2 ILE 47 HG22 ILE 47 -1.830 7.559 7.559
349 3HG2 ILE 47 HG23 ILE 47 -1.086 7.694 7.694
350 1HD1 ILE 47 HD13 ILE 47 -0.087 7.840 7.840
351 2HD1 ILE 47 HD11 ILE 47 -1.113 7.976 7.976
352 3HD1 ILE 47 HD12 ILE 47 0.487 8.755 8.755
353 H LYS 48 HN LYS 48 -0.353 11.651 11.651
354 HA LYS 48 HA LYS 48 -1.100 14.272 14.272
355 1HB LYS 48 HB2 LYS 48 -1.266 13.828 13.828
356 2HB LYS 48 HB3 LYS 48 0.469 14.062 14.062
357 1HG LYS 48 HG2 LYS 48 -0.521 16.149 16.149
358 2HG LYS 48 HG3 LYS 48 -1.698 16.041 16.041
359 1HD LYS 48 HD2 LYS 48 1.265 16.640 16.640
360 2HD LYS 48 HD3 LYS 48 -0.077 17.526 17.526
361 1HE LYS 48 HE2 LYS 48 -0.298 14.984 14.984
362 2HE LYS 48 HE3 LYS 48 1.433 15.243 15.243
363 1HZ LYS 48 HZ1 LYS 48 -0.426 17.252 17.252
364 2HZ LYS 48 HZ2 LYS 48 0.314 16.139 16.139
365 3HZ LYS 48 HZ3 LYS 48 1.202 17.244 17.244
366 H GLN 49 HN GLN 49 0.857 11.659 11.659
367 HA GLN 49 HA GLN 49 2.837 11.287 11.287
368 1HB GLN 49 HB2 GLN 49 2.462 12.272 12.272
369 2HB GLN 49 HB3 GLN 49 1.931 13.784 13.784
370 1HG GLN 49 HG2 GLN 49 4.051 14.108 14.108
371 2HG GLN 49 HG3 GLN 49 4.284 14.417 14.417
372 1HE2 GLN 49 HE22 GLN 49 5.571 10.743 10.743
373 2HE2 GLN 49 HE21 GLN 49 4.052 11.428 11.428
374 H ILE 50 HN ILE 50 4.605 11.087 11.087
375 HA ILE 50 HA ILE 50 5.700 13.572 13.572
376 HB ILE 50 HB ILE 50 5.594 12.781 12.781
377 1HG1 ILE 50 HG12 ILE 50 6.836 10.303 10.303
378 2HG1 ILE 50 HG13 ILE 50 7.541 11.487 11.487
379 1HG2 ILE 50 HG22 ILE 50 3.400 11.961 11.961
380 2HG2 ILE 50 HG23 ILE 50 4.115 10.335 10.335
381 3HG2 ILE 50 HG21 ILE 50 3.864 11.306 11.306
382 1HD1 ILE 50 HD13 ILE 50 5.247 9.623 9.623
383 2HD1 ILE 50 HD11 ILE 50 6.960 9.333 9.333
384 3HD1 ILE 50 HD12 ILE 50 6.114 10.735 10.735
385 H LYS 51 HN LYS 51 6.207 10.381 10.381
386 HA LYS 51 HA LYS 51 8.803 11.280 11.280
387 1HB LYS 51 HB2 LYS 51 8.599 9.642 9.642
388 2HB LYS 51 HB3 LYS 51 9.188 8.620 8.620
389 1HG LYS 51 HG2 LYS 51 10.689 10.883 10.883
390 2HG LYS 51 HG3 LYS 51 10.484 10.982 10.982
391 1HD LYS 51 HD2 LYS 51 11.711 9.049 9.049
392 2HD LYS 51 HD3 LYS 51 11.217 8.285 8.285
393 1HE LYS 51 HE2 LYS 51 12.785 9.579 9.579
394 2HE LYS 51 HE3 LYS 51 13.070 10.702 10.702
395 1HZ LYS 51 HZ3 LYS 51 13.628 8.100 8.100
396 2HZ LYS 51 HZ1 LYS 51 14.440 8.385 8.385
397 3HZ LYS 51 HZ2 LYS 51 14.639 9.377 9.377
398 H MET 52 HN MET 52 9.746 9.606 9.606
399 HA MET 52 HA MET 52 7.704 7.899 7.899
400 1HB MET 52 HB2 MET 52 8.089 8.899 8.899
401 2HB MET 52 HB3 MET 52 7.330 10.024 10.024
402 1HG MET 52 HG2 MET 52 10.254 10.188 10.188
403 2HG MET 52 HG3 MET 52 9.726 10.434 10.434
404 1HE MET 52 HE3 MET 52 10.259 12.461 12.461
405 2HE MET 52 HE1 MET 52 9.430 13.957 13.957
406 3HE MET 52 HE2 MET 52 10.834 13.372 13.372
407 H PHE 53 HN PHE 53 9.389 6.416 6.416
408 HA PHE 53 HA PHE 53 11.988 6.242 6.242
409 1HB PHE 53 HB2 PHE 53 9.707 4.272 4.272
410 2HB PHE 53 HB3 PHE 53 11.263 3.612 3.612
411 HD1 PHE 53 HD2 PHE 53 13.067 5.479 5.479
412 HD2 PHE 53 HD1 PHE 53 9.486 3.529 3.529
413 HE1 PHE 53 HE2 PHE 53 13.813 5.552 5.552
414 HE2 PHE 53 HE1 PHE 53 10.232 3.601 3.601
415 HZ PHE 53 HZ PHE 53 12.386 4.612 4.612
416 H LYS 54 HN LYS 54 9.548 4.206 4.206
417 HA LYS 54 HA LYS 54 11.019 4.804 4.804
418 1HB LYS 54 HB2 LYS 54 11.184 2.370 2.370
419 2HB LYS 54 HB3 LYS 54 10.047 2.062 2.062
420 1HG LYS 54 HG2 LYS 54 12.315 1.616 1.616
421 2HG LYS 54 HG3 LYS 54 11.676 3.014 3.014
422 1HD LYS 54 HD2 LYS 54 13.002 3.860 3.860
423 2HD LYS 54 HD3 LYS 54 14.086 2.856 2.856
424 1HE LYS 54 HE2 LYS 54 13.457 4.311 4.311
425 2HE LYS 54 HE3 LYS 54 12.663 5.396 5.396
426 1HZ LYS 54 HZ1 LYS 54 15.216 4.781 4.781
427 2HZ LYS 54 HZ2 LYS 54 15.341 5.285 5.285
428 3HZ LYS 54 HZ3 LYS 54 14.615 6.235 6.235
429 H GLY 55 HN GLY 55 9.697 4.302 4.302
430 1HA GLY 55 HA1 GLY 55 7.350 3.634 3.634
431 2HA GLY 55 HA2 GLY 55 6.845 4.816 4.816
432 HA PRO 56 HA PRO 56 7.020 7.296 7.296
433 1HB PRO 56 HB2 PRO 56 5.049 9.049 9.049
434 2HB PRO 56 HB3 PRO 56 4.738 7.561 7.561
435 1HG PRO 56 HG2 PRO 56 4.232 8.180 8.180
436 2HG PRO 56 HG3 PRO 56 3.559 6.892 6.892
437 1HD PRO 56 HD2 PRO 56 5.636 6.648 6.648
438 2HD PRO 56 HD3 PRO 56 5.043 5.386 5.386
439 H GLU 57 HN GLU 57 6.651 10.020 10.020
440 HA GLU 57 HA GLU 57 8.874 10.736 10.736
441 1HB GLU 57 HB2 GLU 57 8.060 12.487 12.487
442 2HB GLU 57 HB3 GLU 57 9.656 12.186 12.186
443 1HG GLU 57 HG2 GLU 57 9.480 9.799 9.799
444 2HG GLU 57 HG3 GLU 57 8.003 10.283 10.283
445 H LYS 58 HN LYS 58 5.565 11.543 11.543
446 HA LYS 58 HA LYS 58 5.442 14.020 14.020
447 1HB LYS 58 HB2 LYS 58 3.979 13.651 13.651
448 2HB LYS 58 HB3 LYS 58 3.358 12.161 12.161
449 1HG LYS 58 HG2 LYS 58 1.707 13.363 13.363
450 2HG LYS 58 HG3 LYS 58 2.916 14.104 14.104
451 1HD LYS 58 HD2 LYS 58 2.264 15.142 15.142
452 2HD LYS 58 HD3 LYS 58 1.454 15.723 15.723
453 1HE LYS 58 HE2 LYS 58 4.122 15.915 15.915
454 2HE LYS 58 HE3 LYS 58 4.216 16.265 16.265
455 1HZ LYS 58 HZ2 LYS 58 2.044 17.643 17.643
456 2HZ LYS 58 HZ3 LYS 58 3.219 17.880 17.880
457 3HZ LYS 58 HZ1 LYS 58 3.483 18.266 18.266
458 H ASP 59 HN ASP 59 3.244 11.272 11.272
459 HA ASP 59 HA ASP 59 4.141 10.420 10.420
460 1HB ASP 59 HB2 ASP 59 4.311 12.553 12.553
461 2HB ASP 59 HB3 ASP 59 2.819 13.128 13.128
462 H ILE 60 HN ILE 60 2.258 9.518 9.518
463 HA ILE 60 HA ILE 60 -0.193 9.347 9.347
464 HB ILE 60 HB ILE 60 0.688 7.104 7.104
465 1HG1 ILE 60 HG12 ILE 60 2.585 7.942 7.942
466 2HG1 ILE 60 HG13 ILE 60 2.245 6.233 6.233
467 1HG2 ILE 60 HG21 ILE 60 -1.284 7.603 7.603
468 2HG2 ILE 60 HG22 ILE 60 -0.371 6.091 6.091
469 3HG2 ILE 60 HG23 ILE 60 -1.263 6.382 6.382
470 1HD1 ILE 60 HD13 ILE 60 0.517 7.409 7.409
471 2HD1 ILE 60 HD11 ILE 60 2.235 7.706 7.706
472 3HD1 ILE 60 HD12 ILE 60 1.648 6.042 6.042
473 H GLU 61 HN GLU 61 -0.740 11.319 11.319
474 HA GLU 61 HA GLU 61 -1.013 10.979 10.979
475 1HB GLU 61 HB2 GLU 61 -1.419 13.082 13.082
476 2HB GLU 61 HB3 GLU 61 -2.752 13.057 13.057
477 1HG GLU 61 HG2 GLU 61 -1.447 13.763 13.763
478 2HG GLU 61 HG3 GLU 61 -0.102 12.734 12.734
479 H PHE 62 HN PHE 62 -2.652 9.543 9.543
480 HA PHE 62 HA PHE 62 -5.005 9.156 9.156
481 1HB PHE 62 HB2 PHE 62 -4.694 10.141 10.141
482 2HB PHE 62 HB3 PHE 62 -5.961 8.954 8.954
483 HD1 PHE 62 HD1 PHE 62 -7.858 9.458 9.458
484 HD2 PHE 62 HD2 PHE 62 -4.933 12.380 12.380
485 HE1 PHE 62 HE1 PHE 62 -9.401 11.265 11.265
486 HE2 PHE 62 HE2 PHE 62 -6.476 14.188 14.188
487 HZ PHE 62 HZ PHE 62 -8.691 13.608 13.608
488 H ILE 63 HN ILE 63 -4.250 7.100 7.100
489 HA ILE 63 HA ILE 63 -3.694 5.183 5.183
490 HB ILE 63 HB ILE 63 -3.408 4.675 4.675
491 1HG1 ILE 63 HG12 ILE 63 -2.130 6.802 6.802
492 2HG1 ILE 63 HG13 ILE 63 -1.744 6.125 6.125
493 1HG2 ILE 63 HG21 ILE 63 -2.304 3.507 3.507
494 2HG2 ILE 63 HG22 ILE 63 -1.433 3.319 3.319
495 3HG2 ILE 63 HG23 ILE 63 -3.092 2.697 2.697
496 1HD1 ILE 63 HD11 ILE 63 -0.685 4.893 4.893
497 2HD1 ILE 63 HD12 ILE 63 0.172 6.201 6.201
498 3HD1 ILE 63 HD13 ILE 63 -0.099 4.639 4.639
499 H TYR 64 HN TYR 64 -4.601 2.873 2.873
500 HA TYR 64 HA TYR 64 -7.382 3.189 3.189
501 1HB TYR 64 HB2 TYR 64 -6.040 1.712 1.712
502 2HB TYR 64 HB3 TYR 64 -7.660 1.288 1.288
503 HD1 TYR 64 HD1 TYR 64 -5.794 4.470 4.470
504 HD2 TYR 64 HD2 TYR 64 -9.349 2.160 2.160
505 HE1 TYR 64 HE1 TYR 64 -6.754 6.298 6.298
506 HE2 TYR 64 HE2 TYR 64 -10.297 3.995 3.995
507 HH TYR 64 HH TYR 64 -8.327 6.732 6.732
508 H THR 65 HN THR 65 -8.377 1.252 1.252
509 HA THR 65 HA THR 65 -6.877 -1.102 -1.102
510 HB THR 65 HB THR 65 -5.603 0.450 0.450
511 HG1 THR 65 HG1 THR 65 -6.235 -1.882 -1.882
512 1HG2 THR 65 HG22 THR 65 -8.398 1.021 1.021
513 2HG2 THR 65 HG23 THR 65 -7.138 0.845 0.845
514 3HG2 THR 65 HG21 THR 65 -6.972 2.087 2.087
515 H ALA 66 HN ALA 66 -8.092 -1.884 -1.884
516 HA ALA 66 HA ALA 66 -10.878 -1.979 -1.979
517 1HB ALA 66 HB3 ALA 66 -8.953 -3.960 -3.960
518 2HB ALA 66 HB1 ALA 66 -10.513 -4.012 -4.012
519 3HB ALA 66 HB2 ALA 66 -10.463 -4.197 -4.197
520 HA PRO 67 HA PRO 67 -12.053 0.008 0.008
521 1HB PRO 67 HB2 PRO 67 -14.628 -0.858 -0.858
522 2HB PRO 67 HB3 PRO 67 -14.170 0.417 0.417
523 1HG PRO 67 HG2 PRO 67 -14.895 -2.387 -2.387
524 2HG PRO 67 HG3 PRO 67 -14.851 -1.010 -1.010
525 1HD PRO 67 HD2 PRO 67 -12.910 -3.114 -3.114
526 2HD PRO 67 HD3 PRO 67 -12.810 -1.679 -1.679
527 H SER 68 HN SER 68 -13.820 -0.739 -0.739
528 HA SER 68 HA SER 68 -13.847 -1.822 -1.822
529 1HB SER 68 HB2 SER 68 -13.402 -3.888 -3.888
530 2HB SER 68 HB3 SER 68 -12.470 -4.295 -4.295
531 HG SER 68 HG SER 68 -14.730 -3.560 -3.560
532 H SER 69 HN SER 69 -11.969 -3.693 -3.693
533 HA SER 69 HA SER 69 -9.908 -1.811 -1.811
534 1HB SER 69 HB2 SER 69 -10.885 -3.020 -3.020
535 2HB SER 69 HB3 SER 69 -10.610 -4.568 -4.568
536 HG SER 69 HG SER 69 -8.319 -4.254 -4.254
537 H ALA 70 HN ALA 70 -9.895 -2.846 -2.846
538 HA ALA 70 HA ALA 70 -8.206 -3.301 -3.301
539 1HB ALA 70 HB3 ALA 70 -6.753 -2.997 -2.997
540 2HB ALA 70 HB1 ALA 70 -6.500 -4.737 -4.737
541 3HB ALA 70 HB2 ALA 70 -6.049 -3.560 -3.560
542 H VAL 71 HN VAL 71 -9.685 -4.720 -4.720
543 HA VAL 71 HA VAL 71 -9.610 -7.490 -7.490
544 HB VAL 71 HB VAL 71 -11.705 -7.739 -7.739
545 1HG1 VAL 71 HG13 VAL 71 -11.433 -5.523 -5.523
546 2HG1 VAL 71 HG11 VAL 71 -12.031 -4.766 -4.766
547 3HG1 VAL 71 HG12 VAL 71 -13.003 -6.014 -6.014
548 1HG2 VAL 71 HG22 VAL 71 -10.749 -6.029 -6.029
549 2HG2 VAL 71 HG23 VAL 71 -11.653 -7.563 -7.563
550 3HG2 VAL 71 HG21 VAL 71 -12.500 -6.036 -6.036
551 H CYS 72 HN CYS 72 -8.668 -5.282 -5.282
552 HA CYS 72 HA CYS 72 -7.316 -7.538 -7.538
553 1HB CYS 72 HB2 CYS 72 -8.736 -5.446 -5.446
554 2HB CYS 72 HB3 CYS 72 -7.959 -6.916 -6.916
555 H GLY 73 HN GLY 73 -6.844 -5.025 -5.025
556 1HA GLY 73 HA1 GLY 73 -4.437 -4.162 -4.162
557 2HA GLY 73 HA2 GLY 73 -5.629 -2.917 -2.917
558 H VAL 74 HN VAL 74 -4.217 -1.809 -1.809
559 HA VAL 74 HA VAL 74 -3.875 -3.249 -3.249
560 HB VAL 74 HB VAL 74 -2.127 -1.163 -1.163
561 1HG1 VAL 74 HG11 VAL 74 -1.933 -2.411 -2.411
562 2HG1 VAL 74 HG12 VAL 74 -0.643 -1.462 -1.462
563 3HG1 VAL 74 HG13 VAL 74 -2.201 -0.694 -0.694
564 1HG2 VAL 74 HG21 VAL 74 -2.087 -3.719 -3.719
565 2HG2 VAL 74 HG22 VAL 74 -0.569 -2.820 -2.820
566 3HG2 VAL 74 HG23 VAL 74 -1.193 -3.873 -3.873
567 H SER 75 HN SER 75 -5.739 -1.025 -1.025
568 HA SER 75 HA SER 75 -6.698 0.906 0.906
569 1HB SER 75 HB2 SER 75 -8.348 0.578 0.578
570 2HB SER 75 HB3 SER 75 -8.138 -0.927 -0.927
571 HG SER 75 HG SER 75 -8.151 -1.026 -1.026
572 H LEU 76 HN LEU 76 -4.946 2.408 2.408
573 HA LEU 76 HA LEU 76 -4.105 2.747 2.747
574 1HB LEU 76 HB2 LEU 76 -2.691 4.145 4.145
575 2HB LEU 76 HB3 LEU 76 -2.073 3.440 3.440
576 HG LEU 76 HG LEU 76 -2.905 1.218 1.218
577 1HD1 LEU 76 HD11 LEU 76 -2.880 3.221 3.221
578 2HD1 LEU 76 HD12 LEU 76 -1.272 2.479 2.479
579 3HD1 LEU 76 HD13 LEU 76 -2.735 1.475 1.475
580 1HD2 LEU 76 HD23 LEU 76 -0.529 2.294 2.294
581 2HD2 LEU 76 HD21 LEU 76 -0.862 0.613 0.613
582 3HD2 LEU 76 HD22 LEU 76 -0.139 1.744 1.744
583 H ASP 77 HN ASP 77 -4.670 4.566 4.566
584 HA ASP 77 HA ASP 77 -6.034 6.598 6.598
585 1HB ASP 77 HB2 ASP 77 -7.033 7.055 7.055
586 2HB ASP 77 HB3 ASP 77 -7.777 5.926 5.926
587 H VAL 78 HN VAL 78 -3.307 5.781 5.781
588 HA VAL 78 HA VAL 78 -1.598 6.983 6.983
589 HB VAL 78 HB VAL 78 -3.202 9.047 9.047
590 1HG1 VAL 78 HG11 VAL 78 -1.260 9.701 9.701
591 2HG1 VAL 78 HG12 VAL 78 -1.448 10.786 10.786
592 3HG1 VAL 78 HG13 VAL 78 -2.847 10.422 10.422
593 1HG2 VAL 78 HG23 VAL 78 -0.774 7.573 7.573
594 2HG2 VAL 78 HG21 VAL 78 -1.611 8.662 8.662
595 3HG2 VAL 78 HG22 VAL 78 -0.393 9.312 9.312
596 H GLY 79 HN GLY 79 -4.859 7.298 7.298
597 1HA GLY 79 HA1 GLY 79 -4.337 8.871 8.871
598 2HA GLY 79 HA2 GLY 79 -5.796 7.985 7.985
599 H GLY 80 HN GLY 80 -3.601 5.641 5.641
600 1HA GLY 80 HA1 GLY 80 -3.366 4.866 4.866
601 2HA GLY 80 HA2 GLY 80 -3.985 3.764 3.764
602 H LYS 81 HN LYS 81 -2.177 4.736 4.736
603 HA LYS 81 HA LYS 81 0.209 3.329 3.329
604 1HB LYS 81 HB2 LYS 81 0.461 3.667 3.667
605 2HB LYS 81 HB3 LYS 81 -0.144 2.236 2.236
606 1HG LYS 81 HG2 LYS 81 -1.959 4.571 4.571
607 2HG LYS 81 HG3 LYS 81 -1.646 3.244 3.244
608 1HD LYS 81 HD2 LYS 81 -3.019 1.818 1.818
609 2HD LYS 81 HD3 LYS 81 -2.371 2.296 2.296
610 1HE LYS 81 HE2 LYS 81 -4.087 3.749 3.749
611 2HE LYS 81 HE3 LYS 81 -3.954 4.463 4.463
612 1HZ LYS 81 HZ2 LYS 81 -5.028 1.800 1.800
613 2HZ LYS 81 HZ3 LYS 81 -5.967 2.940 2.940
614 3HZ LYS 81 HZ1 LYS 81 -5.511 3.100 3.100
615 H LYS 82 HN LYS 82 0.369 5.465 5.465
616 HA LYS 82 HA LYS 82 0.985 7.876 7.876
617 1HB LYS 82 HB2 LYS 82 3.551 7.732 7.732
618 2HB LYS 82 HB3 LYS 82 2.587 7.220 7.220
619 1HG LYS 82 HG2 LYS 82 2.856 4.917 4.917
620 2HG LYS 82 HG3 LYS 82 4.444 5.658 5.658
621 1HD LYS 82 HD2 LYS 82 4.776 4.898 4.898
622 2HD LYS 82 HD3 LYS 82 3.345 5.741 5.741
623 1HE LYS 82 HE2 LYS 82 2.054 3.841 3.841
624 2HE LYS 82 HE3 LYS 82 2.725 3.285 3.285
625 1HZ LYS 82 HZ3 LYS 82 4.548 3.229 3.229
626 2HZ LYS 82 HZ1 LYS 82 3.285 2.204 2.204
627 3HZ LYS 82 HZ2 LYS 82 4.280 2.111 2.111
628 H GLU 83 HN GLU 83 3.176 5.634 5.634
629 HA GLU 83 HA GLU 83 2.192 6.728 6.728
630 1HB GLU 83 HB2 GLU 83 5.071 6.992 6.992
631 2HB GLU 83 HB3 GLU 83 3.842 8.206 8.206
632 1HG GLU 83 HG2 GLU 83 5.245 8.999 8.999
633 2HG GLU 83 HG3 GLU 83 3.674 8.602 8.602
634 H TYR 84 HN TYR 84 3.172 5.575 5.575
635 HA TYR 84 HA TYR 84 4.578 3.121 3.121
636 1HB TYR 84 HB2 TYR 84 2.814 1.904 1.904
637 2HB TYR 84 HB3 TYR 84 2.164 2.556 2.556
638 HD1 TYR 84 HD2 TYR 84 2.690 3.637 3.637
639 HD2 TYR 84 HD1 TYR 84 0.149 3.698 3.698
640 HE1 TYR 84 HE2 TYR 84 0.925 4.906 4.906
641 HE2 TYR 84 HE1 TYR 84 -1.608 4.967 4.967
642 HH TYR 84 HH TYR 84 -2.162 5.093 5.093
643 H LEU 85 HN LEU 85 5.663 2.125 2.125
644 HA LEU 85 HA LEU 85 6.342 4.073 4.073
645 1HB LEU 85 HB2 LEU 85 8.001 2.349 2.349
646 2HB LEU 85 HB3 LEU 85 8.150 2.930 2.930
647 HG LEU 85 HG LEU 85 8.383 0.378 0.378
648 1HD1 LEU 85 HD12 LEU 85 8.035 1.798 1.798
649 2HD1 LEU 85 HD13 LEU 85 6.662 0.668 0.668
650 3HD1 LEU 85 HD11 LEU 85 8.322 0.044 0.044
651 1HD2 LEU 85 HD21 LEU 85 6.263 0.139 0.139
652 2HD2 LEU 85 HD22 LEU 85 6.295 -0.879 -0.879
653 3HD2 LEU 85 HD23 LEU 85 5.378 0.647 0.647
654 H ILE 86 HN ILE 86 3.727 2.141 2.141
655 HA ILE 86 HA ILE 86 2.782 0.577 0.577
656 HB ILE 86 HB ILE 86 2.137 3.388 3.388
657 1HG1 ILE 86 HG12 ILE 86 -0.088 2.592 2.592
658 2HG1 ILE 86 HG13 ILE 86 0.293 1.024 1.024
659 1HG2 ILE 86 HG21 ILE 86 1.832 1.872 1.872
660 2HG2 ILE 86 HG22 ILE 86 0.584 3.042 3.042
661 3HG2 ILE 86 HG23 ILE 86 2.270 3.575 3.575
662 1HD1 ILE 86 HD13 ILE 86 2.095 1.608 1.608
663 2HD1 ILE 86 HD11 ILE 86 0.396 1.762 1.762
664 3HD1 ILE 86 HD12 ILE 86 0.977 0.239 0.239
665 H ALA 87 HN ALA 87 3.853 -0.760 -0.760
666 HA ALA 87 HA ALA 87 4.843 0.472 0.472
667 1HB ALA 87 HB2 ALA 87 6.365 -0.817 -0.817
668 2HB ALA 87 HB3 ALA 87 6.383 -1.857 -1.857
669 3HB ALA 87 HB1 ALA 87 6.933 -0.167 -0.167
670 H GLY 88 HN GLY 88 3.539 -0.241 -0.241
671 1HA GLY 88 HA1 GLY 88 2.879 -3.110 -3.110
672 2HA GLY 88 HA2 GLY 88 1.598 -1.923 -1.923
673 H LYS 89 HN LYS 89 1.630 -3.474 -3.474
674 HA LYS 89 HA LYS 89 3.506 -2.993 -2.993
675 1HB LYS 89 HB2 LYS 89 1.374 -4.641 -4.641
676 2HB LYS 89 HB3 LYS 89 0.693 -3.476 -3.476
677 1HG LYS 89 HG2 LYS 89 2.326 -3.919 -3.919
678 2HG LYS 89 HG3 LYS 89 3.460 -4.600 -4.600
679 1HD LYS 89 HD2 LYS 89 1.526 -6.407 -6.407
680 2HD LYS 89 HD3 LYS 89 0.992 -5.865 -5.865
681 1HE LYS 89 HE2 LYS 89 3.246 -6.360 -6.360
682 2HE LYS 89 HE3 LYS 89 3.813 -6.861 -6.861
683 1HZ LYS 89 HZ2 LYS 89 1.734 -8.403 -8.403
684 2HZ LYS 89 HZ3 LYS 89 1.982 -8.210 -8.210
685 3HZ LYS 89 HZ1 LYS 89 3.164 -8.831 -8.831
686 H ALA 90 HN ALA 90 0.829 -1.037 -1.037
687 HA ALA 90 HA ALA 90 0.532 1.170 1.170
688 1HB ALA 90 HB3 ALA 90 2.985 1.017 1.017
689 2HB ALA 90 HB1 ALA 90 2.114 1.235 1.235
690 3HB ALA 90 HB2 ALA 90 1.975 2.460 2.460
691 H GLU 91 HN GLU 91 -0.524 2.615 2.615
692 HA GLU 91 HA GLU 91 -2.115 0.784 0.784
693 1HB GLU 91 HB2 GLU 91 -3.316 1.841 1.841
694 2HB GLU 91 HB3 GLU 91 -3.122 3.393 3.393
695 1HG GLU 91 HG2 GLU 91 -4.724 2.939 2.939
696 2HG GLU 91 HG3 GLU 91 -4.235 1.265 1.265
697 H GLY 92 HN GLY 92 -0.589 4.015 4.015
698 1HA GLY 92 HA1 GLY 92 0.466 4.348 4.348
699 2HA GLY 92 HA2 GLY 92 -1.211 4.736 4.736
700 H ASP 93 HN ASP 93 0.993 5.363 5.363
701 HA ASP 93 HA ASP 93 1.472 7.175 7.175
702 1HB ASP 93 HB2 ASP 93 1.889 7.818 7.818
703 2HB ASP 93 HB3 ASP 93 0.864 9.135 9.135
704 H GLY 94 HN GLY 94 0.500 9.204 9.204
705 1HA GLY 94 HA1 GLY 94 -1.212 10.456 10.456
706 2HA GLY 94 HA2 GLY 94 -2.036 10.183 10.183
707 H LYS 95 HN LYS 95 -1.543 7.093 7.093
708 HA LYS 95 HA LYS 95 -3.087 6.550 6.550
709 1HB LYS 95 HB2 LYS 95 -5.069 5.624 5.624
710 2HB LYS 95 HB3 LYS 95 -5.108 7.190 7.190
711 1HG LYS 95 HG2 LYS 95 -5.697 7.353 7.353
712 2HG LYS 95 HG3 LYS 95 -4.269 8.294 8.294
713 1HD LYS 95 HD2 LYS 95 -2.843 6.332 6.332
714 2HD LYS 95 HD3 LYS 95 -4.308 5.518 5.518
715 1HE LYS 95 HE2 LYS 95 -3.820 8.330 8.330
716 2HE LYS 95 HE3 LYS 95 -2.893 7.025 7.025
717 1HZ LYS 95 HZ2 LYS 95 -5.052 5.893 5.893
718 2HZ LYS 95 HZ3 LYS 95 -5.814 7.263 7.263
719 3HZ LYS 95 HZ1 LYS 95 -4.858 7.264 7.264
720 H MET 96 HN MET 96 -2.946 4.360 4.360
721 HA MET 96 HA MET 96 -2.075 2.628 2.628
722 1HB MET 96 HB2 MET 96 -0.446 1.700 1.700
723 2HB MET 96 HB3 MET 96 0.073 2.970 2.970
724 1HG MET 96 HG2 MET 96 -1.113 4.553 4.553
725 2HG MET 96 HG3 MET 96 -0.804 3.185 3.185
726 1HE MET 96 HE1 MET 96 0.673 3.196 3.196
727 2HE MET 96 HE2 MET 96 2.414 3.071 3.071
728 3HE MET 96 HE3 MET 96 1.722 4.620 4.620
729 H HIS 97 HN HIS 97 -1.617 0.280 0.280
730 HA HIS 97 HA HIS 97 -4.099 -0.055 -0.055
731 1HB HIS 97 HB2 HIS 97 -3.358 -1.243 -1.243
732 2HB HIS 97 HB3 HIS 97 -3.398 -2.504 -2.504
733 HD1 HIS 97 HD1 HIS 97 -5.572 -3.621 -3.621
734 HD2 HIS 97 HD2 HIS 97 -5.994 0.487 0.487
735 HE1 HIS 97 HE1 HIS 97 -8.076 -3.139 -3.139
736 H ILE 98 HN ILE 98 -3.730 -0.722 -0.722
737 HA ILE 98 HA ILE 98 -1.361 -2.384 -2.384
738 HB ILE 98 HB ILE 98 -0.847 -1.157 -1.157
739 1HG1 ILE 98 HG12 ILE 98 -3.270 0.477 0.477
740 2HG1 ILE 98 HG13 ILE 98 -2.907 -0.323 -0.323
741 1HG2 ILE 98 HG22 ILE 98 -0.185 -0.438 -0.438
742 2HG2 ILE 98 HG23 ILE 98 -0.966 1.066 1.066
743 3HG2 ILE 98 HG21 ILE 98 0.412 0.398 0.398
744 1HD1 ILE 98 HD13 ILE 98 -0.869 1.675 1.675
745 2HD1 ILE 98 HD11 ILE 98 -2.474 2.349 2.349
746 3HD1 ILE 98 HD12 ILE 98 -1.601 1.402 1.402
747 H THR 99 HN THR 99 -1.737 -4.164 -4.164
748 HA THR 99 HA THR 99 -4.253 -4.212 -4.212
749 HB THR 99 HB THR 99 -4.247 -6.728 -6.728
750 HG1 THR 99 HG1 THR 99 -2.895 -5.045 -5.045
751 1HG2 THR 99 HG22 THR 99 -5.664 -4.421 -4.421
752 2HG2 THR 99 HG23 THR 99 -4.950 -4.955 -4.955
753 3HG2 THR 99 HG21 THR 99 -5.992 -6.060 -6.060
754 H LEU 100 HN LEU 100 -4.306 -6.041 -6.041
755 HA LEU 100 HA LEU 100 -2.099 -5.843 -5.843
756 1HB LEU 100 HB2 LEU 100 -3.265 -7.155 -7.155
757 2HB LEU 100 HB3 LEU 100 -4.558 -6.549 -6.549
758 HG LEU 100 HG LEU 100 -3.288 -9.180 -9.180
759 1HD1 LEU 100 HD12 LEU 100 -4.623 -8.602 -8.602
760 2HD1 LEU 100 HD13 LEU 100 -5.507 -9.824 -9.824
761 3HD1 LEU 100 HD11 LEU 100 -3.793 -10.082 -10.082
762 1HD2 LEU 100 HD21 LEU 100 -5.180 -7.771 -7.771
763 2HD2 LEU 100 HD22 LEU 100 -5.141 -9.550 -9.550
764 3HD2 LEU 100 HD23 LEU 100 -6.216 -8.678 -8.678
765 H CYS 101 HN CYS 101 -3.003 -8.348 -8.348
766 HA CYS 101 HA CYS 101 -0.906 -10.079 -10.079
767 1HB CYS 101 HB2 CYS 101 -3.087 -10.218 -10.218
768 2HB CYS 101 HB3 CYS 101 -1.851 -9.968 -9.968
769 H ASP 102 HN ASP 102 -1.221 -7.135 -7.135
770 HA ASP 102 HA ASP 102 1.204 -7.512 -7.512
771 1HB ASP 102 HB2 ASP 102 -0.914 -5.911 -5.911
772 2HB ASP 102 HB3 ASP 102 0.038 -4.774 -4.774
773 H PHE 103 HN PHE 103 3.009 -5.686 -5.686
774 HA PHE 103 HA PHE 103 3.948 -5.804 -5.804
775 1HB PHE 103 HB2 PHE 103 5.501 -5.837 -5.837
776 2HB PHE 103 HB3 PHE 103 4.737 -4.446 -4.446
777 HD1 PHE 103 HD2 PHE 103 5.268 -4.222 -4.222
778 HD2 PHE 103 HD1 PHE 103 7.053 -3.532 -3.532
779 HE1 PHE 103 HE2 PHE 103 6.965 -2.717 -2.717
780 HE2 PHE 103 HE1 PHE 103 8.750 -2.026 -2.026
781 HZ PHE 103 HZ PHE 103 8.685 -1.637 -1.637
782 H ILE 104 HN ILE 104 3.315 -4.509 -4.509
783 HA ILE 104 HA ILE 104 3.254 -1.689 -1.689
784 HB ILE 104 HB ILE 104 0.814 -1.599 -1.599
785 1HG1 ILE 104 HG12 ILE 104 0.778 -4.264 -4.264
786 2HG1 ILE 104 HG13 ILE 104 0.531 -4.028 -4.028
787 1HG2 ILE 104 HG22 ILE 104 1.993 -1.082 -1.082
788 2HG2 ILE 104 HG23 ILE 104 0.762 -2.273 -2.273
789 3HG2 ILE 104 HG21 ILE 104 0.276 -0.786 -0.786
790 1HD1 ILE 104 HD11 ILE 104 -1.407 -2.442 -2.442
791 2HD1 ILE 104 HD12 ILE 104 -1.240 -3.071 -3.071
792 3HD1 ILE 104 HD13 ILE 104 -1.664 -4.174 -4.174
793 H VAL 105 HN VAL 105 3.792 -0.725 -0.725
794 HA VAL 105 HA VAL 105 3.135 -2.031 -2.031
795 HB VAL 105 HB VAL 105 5.802 -1.680 -1.680
796 1HG1 VAL 105 HG11 VAL 105 4.022 -3.677 -3.677
797 2HG1 VAL 105 HG12 VAL 105 5.004 -4.364 -4.364
798 3HG1 VAL 105 HG13 VAL 105 5.775 -3.897 -3.897
799 1HG2 VAL 105 HG22 VAL 105 5.475 -2.711 -2.711
800 2HG2 VAL 105 HG23 VAL 105 6.388 -1.280 -1.280
801 3HG2 VAL 105 HG21 VAL 105 6.953 -2.912 -2.912
802 HA PRO 106 HA PRO 106 3.294 2.093 2.093
803 1HB PRO 106 HB2 PRO 106 3.762 1.884 1.884
804 2HB PRO 106 HB3 PRO 106 2.186 1.626 1.626
805 1HG PRO 106 HG2 PRO 106 4.097 -0.373 -0.373
806 2HG PRO 106 HG3 PRO 106 2.385 -0.556 -0.556
807 1HD PRO 106 HD2 PRO 106 4.548 -1.525 -1.525
808 2HD PRO 106 HD3 PRO 106 2.839 -1.606 -1.606
809 H TRP 107 HN TRP 107 5.925 0.534 0.534
810 HA TRP 107 HA TRP 107 8.025 1.187 1.187
811 1HB TRP 107 HB2 TRP 107 7.039 3.390 3.390
812 2HB TRP 107 HB3 TRP 107 7.195 3.875 3.875
813 HD1 TRP 107 HD1 TRP 107 9.789 2.283 2.283
814 HE1 TRP 107 HE1 TRP 107 12.054 3.635 3.635
815 HE3 TRP 107 HE3 TRP 107 8.247 5.748 5.748
816 HZ2 TRP 107 HZ2 TRP 107 12.927 5.950 5.950
817 HZ3 TRP 107 HZ3 TRP 107 9.867 7.521 7.521
818 HH2 TRP 107 HH2 TRP 107 12.138 7.657 7.657
819 H ASP 108 HN ASP 108 6.877 2.842 2.842
820 HA ASP 108 HA ASP 108 9.218 2.167 2.167
821 1HB ASP 108 HB2 ASP 108 7.457 4.036 4.036
822 2HB ASP 108 HB3 ASP 108 6.527 2.792 2.792
823 H THR 109 HN THR 109 8.554 -0.255 -0.255
824 HA THR 109 HA THR 109 7.934 -1.828 -1.828
825 HB THR 109 HB THR 109 6.122 -3.039 -3.039
826 HG1 THR 109 HG1 THR 109 6.169 -0.177 -0.177
827 1HG2 THR 109 HG23 THR 109 5.712 -1.807 -1.807
828 2HG2 THR 109 HG21 THR 109 5.351 -0.373 -0.373
829 3HG2 THR 109 HG22 THR 109 4.354 -1.839 -1.839
830 H LEU 110 HN LEU 110 8.203 -1.957 -1.957
831 HA LEU 110 HA LEU 110 8.986 -3.957 -3.957
832 1HB LEU 110 HB2 LEU 110 11.349 -2.218 -2.218
833 2HB LEU 110 HB3 LEU 110 11.229 -3.312 -3.312
834 HG LEU 110 HG LEU 110 9.475 -0.873 -0.873
835 1HD1 LEU 110 HD11 LEU 110 12.022 -0.541 -0.541
836 2HD1 LEU 110 HD12 LEU 110 11.660 -1.068 -1.068
837 3HD1 LEU 110 HD13 LEU 110 10.856 0.370 0.370
838 1HD2 LEU 110 HD21 LEU 110 9.190 -3.133 -3.133
839 2HD2 LEU 110 HD22 LEU 110 8.225 -1.638 -1.638
840 3HD2 LEU 110 HD23 LEU 110 9.655 -1.752 -1.752
841 H SER 111 HN SER 111 12.054 -3.615 -3.615
842 HA SER 111 HA SER 111 12.138 -4.914 -4.914
843 1HB SER 111 HB2 SER 111 11.123 -6.873 -6.873
844 2HB SER 111 HB3 SER 111 12.296 -7.470 -7.470
845 HG SER 111 HG SER 111 9.691 -7.212 -7.212
846 H THR 112 HN THR 112 13.125 -5.389 -5.389
847 HA THR 112 HA THR 112 15.617 -4.531 -4.531
848 HB THR 112 HB THR 112 15.427 -7.066 -7.066
849 HG1 THR 112 HG1 THR 112 16.497 -5.533 -5.533
850 1HG2 THR 112 HG23 THR 112 17.725 -6.446 -6.446
851 2HG2 THR 112 HG21 THR 112 17.831 -7.594 -7.594
852 3HG2 THR 112 HG22 THR 112 16.723 -7.918 -7.918
853 H THR 113 HN THR 113 14.276 -7.835 -7.835
854 HA THR 113 HA THR 113 15.504 -8.097 -8.097
855 HB THR 113 HB THR 113 12.894 -9.207 -9.207
856 HG1 THR 113 HG1 THR 113 15.707 -9.981 -9.981
857 1HG2 THR 113 HG23 THR 113 13.311 -9.395 -9.395
858 2HG2 THR 113 HG21 THR 113 14.580 -10.545 -10.545
859 3HG2 THR 113 HG22 THR 113 12.885 -10.856 -10.856
860 H GLN 114 HN GLN 114 12.765 -6.114 -6.114
861 HA GLN 114 HA GLN 114 11.861 -5.841 -5.841
862 1HB GLN 114 HB2 GLN 114 11.017 -4.863 -4.863
863 2HB GLN 114 HB3 GLN 114 10.582 -3.841 -3.841
864 1HG GLN 114 HG2 GLN 114 8.748 -5.254 -5.254
865 2HG GLN 114 HG3 GLN 114 9.811 -6.181 -6.181
866 1HE2 GLN 114 HE22 GLN 114 10.817 -8.463 -8.463
867 2HE2 GLN 114 HE21 GLN 114 11.544 -7.419 -7.419
868 H LYS 115 HN LYS 115 13.937 -4.101 -4.101
869 HA LYS 115 HA LYS 115 14.062 -1.704 -1.704
870 1HB LYS 115 HB2 LYS 115 15.194 -2.797 -2.797
871 2HB LYS 115 HB3 LYS 115 16.344 -1.814 -1.814
872 1HG LYS 115 HG2 LYS 115 15.085 0.130 0.130
873 2HG LYS 115 HG3 LYS 115 13.555 -0.726 -0.726
874 1HD LYS 115 HD2 LYS 115 15.530 -0.489 -0.489
875 2HD LYS 115 HD3 LYS 115 13.892 0.128 0.128
876 1HE LYS 115 HE2 LYS 115 13.222 -2.409 -2.409
877 2HE LYS 115 HE3 LYS 115 14.814 -2.749 -2.749
878 1HZ LYS 115 HZ1 LYS 115 14.122 -1.199 -1.199
879 2HZ LYS 115 HZ2 LYS 115 12.594 -1.380 -1.380
880 3HZ LYS 115 HZ3 LYS 115 13.437 -2.681 -2.681
881 H LYS 116 HN LYS 116 16.106 -4.671 -4.671
882 HA LYS 116 HA LYS 116 18.106 -3.741 -3.741
883 1HB LYS 116 HB2 LYS 116 18.587 -6.250 -6.250
884 2HB LYS 116 HB3 LYS 116 18.701 -5.519 -5.519
885 1HG LYS 116 HG2 LYS 116 17.013 -6.807 -6.807
886 2HG LYS 116 HG3 LYS 116 15.962 -6.419 -6.419
887 1HD LYS 116 HD2 LYS 116 18.010 -8.139 -8.139
888 2HD LYS 116 HD3 LYS 116 17.475 -8.850 -8.850
889 1HE LYS 116 HE2 LYS 116 15.165 -8.920 -8.920
890 2HE LYS 116 HE3 LYS 116 15.508 -7.904 -7.904
891 1HZ LYS 116 HZ3 LYS 116 16.780 -10.519 -10.519
892 2HZ LYS 116 HZ1 LYS 116 15.376 -10.333 -10.333
893 3HZ LYS 116 HZ2 LYS 116 16.737 -9.618 -9.618
894 H SER 117 HN SER 117 14.823 -4.407 -4.407
895 HA SER 117 HA SER 117 15.402 -5.106 -5.106
896 1HB SER 117 HB2 SER 117 13.668 -6.321 -6.321
897 2HB SER 117 HB3 SER 117 12.585 -5.176 -5.176
898 HG SER 117 HG SER 117 13.264 -6.034 -6.034
899 H LEU 118 HN LEU 118 14.102 -2.678 -2.678
900 HA LEU 118 HA LEU 118 12.702 -1.244 -1.244
901 1HB LEU 118 HB2 LEU 118 11.660 -0.412 -0.412
902 2HB LEU 118 HB3 LEU 118 12.702 -1.340 -1.340
903 HG LEU 118 HG LEU 118 14.342 0.730 0.730
904 1HD1 LEU 118 HD13 LEU 118 12.823 1.846 1.846
905 2HD1 LEU 118 HD11 LEU 118 11.603 1.987 1.987
906 3HD1 LEU 118 HD12 LEU 118 13.159 2.838 2.838
907 1HD2 LEU 118 HD22 LEU 118 12.250 0.112 0.112
908 2HD2 LEU 118 HD23 LEU 118 13.984 0.448 0.448
909 3HD2 LEU 118 HD21 LEU 118 12.836 1.793 1.793
910 H ASN 119 HN ASN 119 15.971 -1.542 -1.542
911 HA ASN 119 HA ASN 119 16.708 1.080 1.080
912 1HB ASN 119 HB2 ASN 119 18.906 0.506 0.506
913 2HB ASN 119 HB3 ASN 119 17.825 -0.318 -0.318
914 1HD2 ASN 119 HD22 ASN 119 19.588 -3.258 -3.258
915 2HD2 ASN 119 HD21 ASN 119 19.000 -2.027 -2.027
916 H HIS 120 HN HIS 120 16.277 -2.112 -2.112
917 HA HIS 120 HA HIS 120 18.141 -1.662 -1.662
918 1HB HIS 120 HB2 HIS 120 16.968 -3.928 -3.928
919 2HB HIS 120 HB3 HIS 120 16.473 -3.958 -3.958
920 HD1 HIS 120 HD1 HIS 120 18.098 -6.186 -6.186
921 HD2 HIS 120 HD2 HIS 120 19.966 -2.434 -2.434
922 HE1 HIS 120 HE1 HIS 120 20.544 -6.581 -6.581
923 H ARG 121 HN ARG 121 16.226 0.376 0.376
924 HA ARG 121 HA ARG 121 14.884 1.485 1.485
925 1HB ARG 121 HB2 ARG 121 15.776 -0.665 -0.665
926 2HB ARG 121 HB3 ARG 121 14.350 0.234 0.234
927 1HG ARG 121 HG2 ARG 121 16.436 2.032 2.032
928 2HG ARG 121 HG3 ARG 121 17.044 1.048 1.048
929 1HD ARG 121 HD2 ARG 121 14.322 2.150 2.150
930 2HD ARG 121 HD3 ARG 121 15.562 3.376 3.376
931 HE ARG 121 HE ARG 121 16.778 1.635 1.635
932 1HH1 ARG 121 HH21 ARG 121 13.409 3.023 3.023
933 2HH1 ARG 121 HH22 ARG 121 13.558 3.053 3.053
934 1HH2 ARG 121 HH12 ARG 121 16.584 1.595 1.595
935 2HH2 ARG 121 HH11 ARG 121 15.142 2.188 2.188
936 H TYR 122 HN TYR 122 13.705 -1.427 -1.427
937 HA TYR 122 HA TYR 122 11.533 -1.794 -1.794
938 1HB TYR 122 HB2 TYR 122 9.849 -1.178 -1.178
939 2HB TYR 122 HB3 TYR 122 11.025 0.121 0.121
940 HD1 TYR 122 HD1 TYR 122 12.541 0.375 0.375
941 HD2 TYR 122 HD2 TYR 122 9.621 -2.750 -2.750
942 HE1 TYR 122 HE1 TYR 122 12.845 -0.011 -0.011
943 HE2 TYR 122 HE2 TYR 122 9.934 -3.124 -3.124
944 HH TYR 122 HH TYR 122 10.851 -2.392 -2.392
945 H GLN 123 HN GLN 123 13.948 -3.101 -3.101
946 HA GLN 123 HA GLN 123 13.322 -5.629 -5.629
947 1HB GLN 123 HB2 GLN 123 11.258 -5.391 -5.391
948 2HB GLN 123 HB3 GLN 123 12.113 -4.647 -4.647
949 1HG GLN 123 HG2 GLN 123 13.449 -7.121 -7.121
950 2HG GLN 123 HG3 GLN 123 11.734 -7.476 -7.476
951 1HE2 GLN 123 HE22 GLN 123 11.151 -7.258 -7.258
952 2HE2 GLN 123 HE21 GLN 123 10.589 -7.615 -7.615
953 H MET 124 HN MET 124 15.641 -4.290 -4.290
954 HA MET 124 HA MET 124 17.001 -4.221 -4.221
955 1HB MET 124 HB2 MET 124 17.423 -3.446 -3.446
956 2HB MET 124 HB3 MET 124 18.762 -4.496 -4.496
957 1HG MET 124 HG2 MET 124 18.023 -2.413 -2.413
958 2HG MET 124 HG3 MET 124 18.745 -1.826 -1.826
959 1HE MET 124 HE1 MET 124 20.012 -1.008 -1.008
960 2HE MET 124 HE2 MET 124 21.656 -1.643 -1.643
961 3HE MET 124 HE3 MET 124 20.319 -2.210 -2.210
962 H GLY 125 HN GLY 125 15.958 -6.662 -6.662
963 1HA GLY 125 HA1 GLY 125 16.429 -8.833 -8.833
964 2HA GLY 125 HA2 GLY 125 18.122 -8.381 -8.381
965 H CYS 126 HN CYS 126 16.098 -7.684 -7.684
966 HA CYS 126 HA CYS 126 17.797 -8.934 -8.934
967 1HB CYS 126 HB2 CYS 126 16.361 -8.293 -8.293
968 2HB CYS 126 HB3 CYS 126 15.848 -7.227 -7.227
969 H GLU 127 HN GLU 127 16.280 -10.648 -10.648
970 HA GLU 127 HA GLU 127 14.861 -12.590 -12.590
971 1HB GLU 127 HB2 GLU 127 17.078 -13.000 -13.000
972 2HB GLU 127 HB3 GLU 127 17.774 -13.387 -13.387
973 1HG GLU 127 HG2 GLU 127 17.067 -15.523 -15.523
974 2HG GLU 127 HG3 GLU 127 15.415 -14.954 -14.954
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