*HEADER PROTEIN BINDING 04-JUN-14 2MPV
*TITLE STRUCTURAL INSIGHT INTO HOST RECOGNITION AND BIOFILM FORMATION BY
*TITLE 2 AGGREGATIVE ADHERENCE FIMBRIAE OF ENTEROAGGREGATIVE ESHERICHIA COLI
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: MAJOR FIMBRIAL SUBUNIT OF AGGREGATIVE ADHERENCE FIMBRIA II
*COMPND 3 AAFA;
*COMPND 4 CHAIN: A;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
*SOURCE 3 ORGANISM_TAXID: 562;
*SOURCE 4 GENE: AAFA;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PQE-30
*KEYWDS AAF, EAEC, BIOFILM, PROTEIN BINDING
*EXPDTA SOLUTION NMR
*NUMMDL 1
*AUTHOR S.J.MATTHEWS, Y.YANG, A.A.BERRY, N.PAKHARUKOVA, J.A.GARNETT, W.LEE,
*AUTHOR 2 E.COTA, B.LIU, S.ROY, M.TUITTILA, J.MARCHANT, K.G.INMAN, F.RUIZ-
*AUTHOR 3 PEREZ, I.MANDOMANDO, J.P.NATARO, A.V.ZAVIALOV
*REVDAT 1 29-OCT-14 2MPV 0
Entry H atom name Submitted Coord H atom name
1 HA ASN 13 HA ASN 13 17.103 -9.311 -12.903
2 HB2 ASN 13 HB2 ASN 13 19.540 -9.444 -13.189
3 HB3 ASN 13 HB3 ASN 13 19.758 -9.274 -11.450
4 HD21 ASN 13 HD21 ASN 13 20.808 -11.242 -11.278
5 HD22 ASN 13 HD22 ASN 13 19.975 -12.751 -11.423
6 H PHE 14 H PHE 14 18.597 -8.350 -9.785
7 HA PHE 14 HA PHE 14 16.592 -10.001 -8.455
8 HB2 PHE 14 HB2 PHE 14 19.235 -8.917 -7.548
9 HB3 PHE 14 HB3 PHE 14 18.064 -9.583 -6.416
10 HD1 PHE 14 HD2 PHE 14 16.967 -11.854 -7.739
11 HD2 PHE 14 HD1 PHE 14 20.967 -10.415 -7.782
12 HE1 PHE 14 HE2 PHE 14 17.777 -14.133 -8.210
13 HE2 PHE 14 HE1 PHE 14 21.787 -12.684 -8.255
14 HZ PHE 14 HZ PHE 14 20.191 -14.548 -8.468
15 H CYS 15 H CYS 15 15.376 -7.880 -9.361
16 HA CYS 15 HA CYS 15 14.794 -6.478 -6.860
17 HB2 CYS 15 HB2 CYS 15 14.682 -5.170 -9.588
18 HB3 CYS 15 HB3 CYS 15 14.267 -4.418 -8.059
19 HG CYS 15 HG CYS 15 16.617 -3.250 -8.448
20 H ASP 16 H ASP 16 12.689 -6.505 -6.298
21 HA ASP 16 HA ASP 16 10.758 -7.317 -8.344
22 HB2 ASP 16 HB2 ASP 16 11.236 -8.610 -5.679
23 HB3 ASP 16 HB3 ASP 16 9.638 -8.654 -6.418
24 H ILE 17 H ILE 17 9.009 -6.159 -8.376
25 HA ILE 17 HA ILE 17 8.240 -4.572 -6.041
26 HB ILE 17 HB ILE 17 8.089 -3.361 -8.771
27 HG12 ILE 17 HG12 ILE 17 10.180 -1.991 -8.000
28 HG13 ILE 17 HG13 ILE 17 10.499 -3.380 -6.968
29 HG21 ILE 17 HG21 ILE 17 8.186 -2.156 -6.022
30 HG22 ILE 17 HG22 ILE 17 6.746 -2.389 -7.014
31 HG23 ILE 17 HG23 ILE 17 8.003 -1.264 -7.532
32 HD11 ILE 17 HD11 ILE 17 10.552 -4.820 -8.929
33 HD12 ILE 17 HD12 ILE 17 11.749 -3.527 -9.028
34 HD13 ILE 17 HD13 ILE 17 10.256 -3.422 -9.963
35 H THR 18 H THR 18 6.097 -4.715 -5.723
36 HA THR 18 HA THR 18 4.222 -5.157 -7.820
37 HB THR 18 HB THR 18 4.411 -7.473 -5.908
38 HG1 THR 18 HG1 THR 18 5.922 -7.033 -8.237
39 HG21 THR 18 HG21 THR 18 3.190 -7.157 -8.649
40 HG22 THR 18 HG22 THR 18 2.320 -7.190 -7.115
41 HG23 THR 18 HG23 THR 18 3.162 -8.632 -7.682
42 H ILE 19 H ILE 19 2.308 -4.646 -7.348
43 HA ILE 19 HA ILE 19 1.542 -4.453 -4.536
44 HB ILE 19 HB ILE 19 0.667 -2.827 -6.915
45 HG12 ILE 19 HG12 ILE 19 1.661 -1.646 -4.393
46 HG13 ILE 19 HG13 ILE 19 2.822 -2.656 -5.257
47 HG21 ILE 19 HG21 ILE 19 -0.854 -1.658 -5.429
48 HG22 ILE 19 HG22 ILE 19 -0.383 -2.699 -4.086
49 HG23 ILE 19 HG23 ILE 19 -1.268 -3.372 -5.454
50 HD11 ILE 19 HD11 ILE 19 1.394 -0.267 -6.398
51 HD12 ILE 19 HD12 ILE 19 2.600 -1.281 -7.215
52 HD13 ILE 19 HD13 ILE 19 3.062 -0.310 -5.808
53 H THR 20 H THR 20 0.174 -5.959 -3.921
54 HA THR 20 HA THR 20 0.010 -8.073 -5.801
55 HB THR 20 HB THR 20 -0.680 -9.347 -3.707
56 HG1 THR 20 HG1 THR 20 -0.611 -8.237 -1.798
57 HG21 THR 20 HG21 THR 20 1.879 -7.744 -3.887
58 HG22 THR 20 HG22 THR 20 1.587 -9.369 -4.508
59 HG23 THR 20 HG23 THR 20 1.641 -9.090 -2.767
60 HA PRO 21 HA PRO 21 -3.887 -8.722 -7.278
61 HB2 PRO 21 HB2 PRO 21 -4.231 -11.288 -5.832
62 HB3 PRO 21 HB3 PRO 21 -4.253 -10.950 -7.566
63 HG2 PRO 21 HG2 PRO 21 -2.147 -12.117 -6.488
64 HG3 PRO 21 HG3 PRO 21 -1.931 -10.841 -7.703
65 HD2 PRO 21 HD2 PRO 21 -1.700 -10.668 -4.719
66 HD3 PRO 21 HD3 PRO 21 -0.626 -10.001 -5.966
67 H ALA 22 H ALA 22 -3.945 -8.724 -3.795
68 HA ALA 22 HA ALA 22 -6.739 -9.079 -3.457
69 HB1 ALA 22 HB1 ALA 22 -6.469 -8.018 -1.275
70 HB2 ALA 22 HB2 ALA 22 -4.845 -7.496 -1.729
71 HB3 ALA 22 HB3 ALA 22 -5.205 -9.215 -1.569
72 H THR 23 H THR 23 -5.013 -6.667 -4.963
73 HA THR 23 HA THR 23 -6.630 -4.409 -4.602
74 HB THR 23 HB THR 23 -5.894 -4.127 -7.159
75 HG1 THR 23 HG1 THR 23 -3.848 -5.821 -6.123
76 HG21 THR 23 HG21 THR 23 -4.046 -3.871 -4.793
77 HG22 THR 23 HG22 THR 23 -5.213 -2.671 -5.353
78 HG23 THR 23 HG23 THR 23 -3.821 -3.086 -6.356
79 H ASN 24 H ASN 24 -8.492 -3.758 -5.506
80 HA ASN 24 HA ASN 24 -10.402 -3.716 -6.735
81 HB2 ASN 24 HB2 ASN 24 -9.281 -3.943 -8.767
82 HB3 ASN 24 HB3 ASN 24 -8.738 -5.575 -8.404
83 HD21 ASN 24 HD21 ASN 24 -10.000 -7.282 -8.942
84 HD22 ASN 24 HD22 ASN 24 -11.489 -7.146 -9.808
85 H ARG 25 H ARG 25 -12.411 -4.766 -6.874
86 HA ARG 25 HA ARG 25 -12.494 -7.364 -5.494
87 HB2 ARG 25 HB2 ARG 25 -14.344 -5.012 -5.375
88 HB3 ARG 25 HB3 ARG 25 -14.944 -6.624 -5.024
89 HG2 ARG 25 HG2 ARG 25 -12.627 -5.334 -3.604
90 HG3 ARG 25 HG3 ARG 25 -14.292 -5.322 -3.025
91 HD2 ARG 25 HD2 ARG 25 -13.194 -7.082 -1.886
92 HD3 ARG 25 HD3 ARG 25 -14.223 -7.833 -3.101
93 HE ARG 25 HE ARG 25 -11.548 -7.425 -4.040
94 HH11 ARG 25 HH11 ARG 25 -13.586 -9.528 -2.127
95 HH12 ARG 25 HH12 ARG 25 -12.582 -10.926 -2.355
96 HH21 ARG 25 HH21 ARG 25 -10.218 -9.260 -4.344
97 HH22 ARG 25 HH22 ARG 25 -10.663 -10.771 -3.616
98 H ASP 26 H ASP 26 -15.035 -8.158 -6.015
99 HA ASP 26 HA ASP 26 -14.573 -9.086 -8.708
100 HB2 ASP 26 HB2 ASP 26 -16.429 -9.916 -6.507
101 HB3 ASP 26 HB3 ASP 26 -16.693 -10.489 -8.151
102 H VAL 27 H VAL 27 -17.879 -9.054 -7.898
103 HA VAL 27 HA VAL 27 -18.342 -7.337 -10.201
104 HB VAL 27 HB VAL 27 -20.332 -8.941 -8.656
105 HG11 VAL 27 HG11 VAL 27 -21.348 -7.096 -9.866
106 HG12 VAL 27 HG12 VAL 27 -21.765 -8.633 -10.624
107 HG13 VAL 27 HG13 VAL 27 -20.528 -7.602 -11.343
108 HG21 VAL 27 HG21 VAL 27 -20.220 -10.529 -10.533
109 HG22 VAL 27 HG22 VAL 27 -18.690 -10.403 -9.664
110 HG23 VAL 27 HG23 VAL 27 -18.894 -9.586 -11.213
111 H ASN 28 H ASN 28 -19.684 -7.739 -6.960
112 HA ASN 28 HA ASN 28 -19.522 -4.978 -6.310
113 HB2 ASN 28 HB2 ASN 28 -21.923 -4.504 -6.167
114 HB3 ASN 28 HB3 ASN 28 -21.442 -4.820 -7.831
115 HD21 ASN 28 HD21 ASN 28 -23.254 -5.954 -5.103
116 HD22 ASN 28 HD22 ASN 28 -24.108 -7.205 -5.932
117 H VAL 29 H VAL 29 -20.055 -4.600 -4.140
118 HA VAL 29 HA VAL 29 -21.047 -6.919 -2.653
119 HB VAL 29 HB VAL 29 -19.467 -5.826 -0.762
120 HG11 VAL 29 HG11 VAL 29 -19.544 -8.182 -1.344
121 HG12 VAL 29 HG12 VAL 29 -17.869 -7.637 -1.250
122 HG13 VAL 29 HG13 VAL 29 -18.635 -7.868 -2.821
123 HG21 VAL 29 HG21 VAL 29 -18.540 -4.174 -2.344
124 HG22 VAL 29 HG22 VAL 29 -17.928 -5.501 -3.341
125 HG23 VAL 29 HG23 VAL 29 -17.302 -5.261 -1.706
126 H ASP 30 H ASP 30 -22.549 -6.524 -1.212
127 HA ASP 30 HA ASP 30 -23.209 -3.753 -0.536
128 HB2 ASP 30 HB2 ASP 30 -25.551 -4.290 -0.725
129 HB3 ASP 30 HB3 ASP 30 -24.758 -4.846 -2.194
130 H ARG 31 H ARG 31 -21.582 -5.661 0.804
131 HA ARG 31 HA ARG 31 -23.212 -6.396 3.124
132 HB2 ARG 31 HB2 ARG 31 -21.305 -7.835 3.764
133 HB3 ARG 31 HB3 ARG 31 -22.022 -8.285 2.219
134 HG2 ARG 31 HG2 ARG 31 -20.187 -7.053 1.084
135 HG3 ARG 31 HG3 ARG 31 -19.464 -6.764 2.665
136 HD2 ARG 31 HD2 ARG 31 -18.372 -8.649 1.647
137 HD3 ARG 31 HD3 ARG 31 -19.346 -9.217 3.006
138 HE ARG 31 HE ARG 31 -21.022 -9.496 0.907
139 HH11 ARG 31 HH11 ARG 31 -17.745 -10.581 1.511
140 HH12 ARG 31 HH12 ARG 31 -17.884 -11.970 0.479
141 HH21 ARG 31 HH21 ARG 31 -21.213 -11.325 -0.431
142 HH22 ARG 31 HH22 ARG 31 -19.860 -12.396 -0.618
143 H SER 32 H SER 32 -23.002 -5.317 4.947
144 HA SER 32 HA SER 32 -20.544 -3.810 5.381
145 HB2 SER 32 HB2 SER 32 -21.867 -3.087 7.515
146 HB3 SER 32 HB3 SER 32 -22.368 -2.435 5.955
147 HG SER 32 HG SER 32 -24.126 -3.679 5.970
148 H ALA 33 H ALA 33 -19.146 -5.419 5.720
149 HA ALA 33 HA ALA 33 -19.152 -6.791 8.242
150 HB1 ALA 33 HB1 ALA 33 -19.357 -8.386 5.681
151 HB2 ALA 33 HB2 ALA 33 -20.609 -8.265 6.917
152 HB3 ALA 33 HB3 ALA 33 -19.073 -9.048 7.291
153 H ASN 34 H ASN 34 -17.072 -8.318 8.176
154 HA ASN 34 HA ASN 34 -14.955 -6.555 7.425
155 HB2 ASN 34 HB2 ASN 34 -15.024 -9.311 8.627
156 HB3 ASN 34 HB3 ASN 34 -13.505 -8.571 8.125
157 HD21 ASN 34 HD21 ASN 34 -12.603 -7.015 9.346
158 HD22 ASN 34 HD22 ASN 34 -13.243 -6.484 10.861
159 H ILE 35 H ILE 35 -14.445 -6.288 5.371
160 HA ILE 35 HA ILE 35 -13.966 -8.712 3.765
161 HB ILE 35 HB ILE 35 -14.120 -5.991 2.538
162 HG12 ILE 35 HG12 ILE 35 -16.472 -7.820 3.043
163 HG13 ILE 35 HG13 ILE 35 -16.199 -6.275 3.842
164 HG21 ILE 35 HG21 ILE 35 -14.843 -8.714 1.481
165 HG22 ILE 35 HG22 ILE 35 -13.247 -7.981 1.322
166 HG23 ILE 35 HG23 ILE 35 -14.645 -7.225 0.555
167 HD11 ILE 35 HD11 ILE 35 -16.704 -6.718 0.916
168 HD12 ILE 35 HD12 ILE 35 -16.327 -5.162 1.652
169 HD13 ILE 35 HD13 ILE 35 -17.812 -6.005 2.086
170 H ASP 36 H ASP 36 -11.929 -9.062 4.567
171 HA ASP 36 HA ASP 36 -10.096 -6.897 4.916
172 HB2 ASP 36 HB2 ASP 36 -8.505 -8.575 5.666
173 HB3 ASP 36 HB3 ASP 36 -10.060 -8.801 6.450
174 H LEU 37 H LEU 37 -8.695 -6.130 3.590
175 HA LEU 37 HA LEU 37 -8.126 -7.565 1.084
176 HB2 LEU 37 HB2 LEU 37 -8.866 -4.685 1.566
177 HB3 LEU 37 HB3 LEU 37 -8.001 -5.179 0.113
178 HG LEU 37 HG LEU 37 -10.729 -6.166 0.964
179 HD11 LEU 37 HD11 LEU 37 -9.919 -4.265 -1.233
180 HD12 LEU 37 HD12 LEU 37 -10.766 -3.836 0.253
181 HD13 LEU 37 HD13 LEU 37 -11.549 -4.871 -0.941
182 HD21 LEU 37 HD21 LEU 37 -9.116 -6.703 -1.529
183 HD22 LEU 37 HD22 LEU 37 -10.801 -7.164 -1.290
184 HD23 LEU 37 HD23 LEU 37 -9.543 -7.872 -0.279
185 H SER 38 H SER 38 -6.068 -8.142 1.165
186 HA SER 38 HA SER 38 -4.214 -6.530 2.743
187 HB2 SER 38 HB2 SER 38 -3.833 -9.304 1.668
188 HB3 SER 38 HB3 SER 38 -2.808 -8.487 2.837
189 HG SER 38 HG SER 38 -4.135 -9.061 4.355
190 H PHE 39 H PHE 39 -3.136 -5.067 1.637
191 HA PHE 39 HA PHE 39 -2.437 -5.605 -1.161
192 HB2 PHE 39 HB2 PHE 39 -2.494 -3.021 0.427
193 HB3 PHE 39 HB3 PHE 39 -2.038 -3.141 -1.264
194 HD1 PHE 39 HD2 PHE 39 -4.830 -3.562 1.112
195 HD2 PHE 39 HD1 PHE 39 -3.693 -3.175 -2.969
196 HE1 PHE 39 HE2 PHE 39 -7.186 -3.262 0.489
197 HE2 PHE 39 HE1 PHE 39 -6.067 -2.870 -3.606
198 HZ PHE 39 HZ PHE 39 -7.806 -2.916 -1.865
199 H THR 40 H THR 40 -0.209 -4.842 -1.815
200 HA THR 40 HA THR 40 1.734 -4.919 0.341
201 HB THR 40 HB THR 40 1.638 -7.081 -1.776
202 HG1 THR 40 HG1 THR 40 0.504 -6.936 0.590
203 HG21 THR 40 HG21 THR 40 3.954 -6.376 -1.308
204 HG22 THR 40 HG22 THR 40 3.633 -8.004 -0.714
205 HG23 THR 40 HG23 THR 40 3.681 -6.648 0.413
206 H ILE 41 H ILE 41 3.642 -3.988 -0.167
207 HA ILE 41 HA ILE 41 4.169 -3.294 -2.974
208 HB ILE 41 HB ILE 41 5.133 -1.722 -0.579
209 HG12 ILE 41 HG12 ILE 41 3.387 -0.003 -1.567
210 HG13 ILE 41 HG13 ILE 41 2.583 -1.462 -2.133
211 HG21 ILE 41 HG21 ILE 41 6.451 -1.504 -2.574
212 HG22 ILE 41 HG22 ILE 41 5.563 -0.007 -2.284
213 HG23 ILE 41 HG23 ILE 41 5.012 -1.136 -3.521
214 HD11 ILE 41 HD11 ILE 41 3.227 -0.765 0.727
215 HD12 ILE 41 HD12 ILE 41 2.501 -2.281 0.193
216 HD13 ILE 41 HD13 ILE 41 1.635 -0.763 -0.031
217 H ARG 42 H ARG 42 6.006 -4.239 -3.689
218 HA ARG 42 HA ARG 42 7.924 -5.253 -1.692
219 HB2 ARG 42 HB2 ARG 42 7.487 -6.249 -4.516
220 HB3 ARG 42 HB3 ARG 42 8.542 -6.961 -3.301
221 HG2 ARG 42 HG2 ARG 42 6.722 -7.689 -1.999
222 HG3 ARG 42 HG3 ARG 42 5.581 -6.702 -2.915
223 HD2 ARG 42 HD2 ARG 42 5.359 -9.017 -3.555
224 HD3 ARG 42 HD3 ARG 42 6.011 -8.084 -4.898
225 HE ARG 42 HE ARG 42 7.899 -9.508 -3.186
226 HH11 ARG 42 HH11 ARG 42 6.208 -9.287 -6.250
227 HH12 ARG 42 HH12 ARG 42 7.224 -10.453 -7.033
228 HH21 ARG 42 HH21 ARG 42 9.234 -11.060 -4.232
229 HH22 ARG 42 HH22 ARG 42 8.932 -11.458 -5.894
230 H GLN 43 H GLN 43 10.162 -4.922 -2.063
231 HA GLN 43 HA GLN 43 10.731 -2.975 -4.199
232 HB2 GLN 43 HB2 GLN 43 11.074 -2.707 -1.328
233 HB3 GLN 43 HB3 GLN 43 12.584 -2.450 -2.190
234 HG2 GLN 43 HG2 GLN 43 11.413 -0.344 -1.871
235 HG3 GLN 43 HG3 GLN 43 11.500 -0.744 -3.580
236 HE21 GLN 43 HE21 GLN 43 9.785 0.520 -4.136
237 HE22 GLN 43 HE22 GLN 43 8.158 0.140 -3.696
238 HA PRO 44 HA PRO 44 14.184 -5.280 -5.674
239 HB2 PRO 44 HB2 PRO 44 16.343 -3.630 -5.238
240 HB3 PRO 44 HB3 PRO 44 15.219 -3.472 -6.590
241 HG2 PRO 44 HG2 PRO 44 15.153 -2.109 -3.915
242 HG3 PRO 44 HG3 PRO 44 15.029 -1.370 -5.534
243 HD2 PRO 44 HD2 PRO 44 12.841 -1.775 -4.188
244 HD3 PRO 44 HD3 PRO 44 12.882 -2.324 -5.880
245 H GLN 45 H GLN 45 14.962 -6.999 -4.703
246 HA GLN 45 HA GLN 45 15.710 -7.208 -2.022
247 HB2 GLN 45 HB2 GLN 45 16.817 -9.011 -4.161
248 HB3 GLN 45 HB3 GLN 45 16.374 -9.417 -2.511
249 HG2 GLN 45 HG2 GLN 45 13.989 -9.005 -3.151
250 HG3 GLN 45 HG3 GLN 45 14.535 -8.865 -4.822
251 HE21 GLN 45 HE21 GLN 45 15.286 -10.705 -5.892
252 HE22 GLN 45 HE22 GLN 45 14.999 -12.299 -5.291
253 H ARG 46 H ARG 46 17.660 -6.780 -4.961
254 HA ARG 46 HA ARG 46 20.117 -7.092 -3.509
255 HB2 ARG 46 HB2 ARG 46 21.224 -6.614 -5.646
256 HB3 ARG 46 HB3 ARG 46 19.994 -7.852 -5.813
257 HG2 ARG 46 HG2 ARG 46 19.322 -6.689 -7.586
258 HG3 ARG 46 HG3 ARG 46 18.606 -5.577 -6.419
259 HD2 ARG 46 HD2 ARG 46 20.644 -4.232 -6.447
260 HD3 ARG 46 HD3 ARG 46 21.369 -5.350 -7.602
261 HE ARG 46 HE ARG 46 18.984 -4.485 -8.720
262 HH11 ARG 46 HH11 ARG 46 22.019 -3.071 -7.708
263 HH12 ARG 46 HH12 ARG 46 21.942 -1.770 -8.853
264 HH21 ARG 46 HH21 ARG 46 18.878 -2.772 -10.236
265 HH22 ARG 46 HH22 ARG 46 20.161 -1.607 -10.295
266 H CYS 47 H CYS 47 18.205 -4.379 -4.630
267 HA CYS 47 HA CYS 47 20.232 -2.447 -4.087
268 HB2 CYS 47 HB2 CYS 47 17.264 -1.941 -4.180
269 HB3 CYS 47 HB3 CYS 47 18.557 -0.788 -4.478
270 HG CYS 47 HG CYS 47 18.561 -1.097 -7.023
271 H ALA 48 H ALA 48 17.439 -3.720 -2.309
272 HA ALA 48 HA ALA 48 17.697 -2.201 0.018
273 HB1 ALA 48 HB1 ALA 48 16.820 -5.073 -0.317
274 HB2 ALA 48 HB2 ALA 48 15.789 -3.640 -0.315
275 HB3 ALA 48 HB3 ALA 48 16.622 -4.130 1.161
276 H ASP 49 H ASP 49 19.311 -5.161 -1.009
277 HA ASP 49 HA ASP 49 20.804 -5.491 1.394
278 HB2 ASP 49 HB2 ASP 49 20.253 -7.383 -0.079
279 HB3 ASP 49 HB3 ASP 49 21.248 -6.680 -1.349
280 H ALA 50 H ALA 50 21.063 -3.332 -1.104
281 HA ALA 50 HA ALA 50 23.965 -3.222 -1.185
282 HB1 ALA 50 HB1 ALA 50 22.782 -2.978 -3.267
283 HB2 ALA 50 HB2 ALA 50 23.588 -1.457 -2.876
284 HB3 ALA 50 HB3 ALA 50 21.849 -1.629 -2.620
285 H GLY 51 H GLY 51 21.522 -1.974 0.715
286 HA2 GLY 51 HA2 GLY 51 22.172 -0.648 2.640
287 HA3 GLY 51 HA3 GLY 51 23.280 0.226 1.589
288 H MET 52 H MET 52 20.253 -0.554 0.238
289 HA MET 52 HA MET 52 19.512 2.268 0.410
290 HB2 MET 52 HB2 MET 52 18.378 0.320 -1.572
291 HB3 MET 52 HB3 MET 52 18.451 2.074 -1.680
292 HG2 MET 52 HG2 MET 52 20.785 0.201 -1.826
293 HG3 MET 52 HG3 MET 52 20.032 1.007 -3.196
294 HE1 MET 52 HE1 MET 52 23.524 2.755 -2.904
295 HE2 MET 52 HE2 MET 52 22.419 1.876 -3.960
296 HE3 MET 52 HE3 MET 52 23.158 1.061 -2.581
297 H ARG 53 H ARG 53 17.305 2.833 0.791
298 HA ARG 53 HA ARG 53 15.898 0.816 2.378
299 HB2 ARG 53 HB2 ARG 53 15.464 3.801 2.193
300 HB3 ARG 53 HB3 ARG 53 14.555 2.711 3.240
301 HG2 ARG 53 HG2 ARG 53 16.790 2.099 4.281
302 HG3 ARG 53 HG3 ARG 53 17.457 3.478 3.405
303 HD2 ARG 53 HD2 ARG 53 15.694 4.896 4.507
304 HD3 ARG 53 HD3 ARG 53 15.301 3.500 5.508
305 HE ARG 53 HE ARG 53 18.071 4.446 5.499
306 HH11 ARG 53 HH11 ARG 53 15.018 4.162 7.188
307 HH12 ARG 53 HH12 ARG 53 15.686 4.577 8.730
308 HH21 ARG 53 HH21 ARG 53 18.945 5.017 7.536
309 HH22 ARG 53 HH22 ARG 53 17.911 5.068 8.930
310 H ILE 54 H ILE 54 13.631 0.588 2.206
311 HA ILE 54 HA ILE 54 12.682 0.677 -0.550
312 HB ILE 54 HB ILE 54 12.212 -1.428 0.216
313 HG12 ILE 54 HG12 ILE 54 9.815 0.097 1.267
314 HG13 ILE 54 HG13 ILE 54 10.044 -0.442 -0.392
315 HG21 ILE 54 HG21 ILE 54 13.173 -1.166 2.398
316 HG22 ILE 54 HG22 ILE 54 11.616 -1.981 2.546
317 HG23 ILE 54 HG23 ILE 54 11.760 -0.271 2.956
318 HD11 ILE 54 HD11 ILE 54 8.526 -1.912 0.739
319 HD12 ILE 54 HD12 ILE 54 9.695 -2.182 2.032
320 HD13 ILE 54 HD13 ILE 54 10.030 -2.774 0.404
321 H LYS 55 H LYS 55 10.945 1.935 -1.226
322 HA LYS 55 HA LYS 55 9.584 3.435 0.903
323 HB2 LYS 55 HB2 LYS 55 10.926 4.875 -0.612
324 HB3 LYS 55 HB3 LYS 55 9.926 4.326 -1.956
325 HG2 LYS 55 HG2 LYS 55 7.966 5.117 -0.418
326 HG3 LYS 55 HG3 LYS 55 9.223 6.089 0.339
327 HD2 LYS 55 HD2 LYS 55 8.390 6.140 -2.552
328 HD3 LYS 55 HD3 LYS 55 8.078 7.379 -1.339
329 HE2 LYS 55 HE2 LYS 55 10.545 7.647 -1.105
330 HE3 LYS 55 HE3 LYS 55 10.732 6.561 -2.484
331 HZ1 LYS 55 HZ1 LYS 55 10.712 8.545 -3.549
332 HZ2 LYS 55 HZ2 LYS 55 9.723 9.296 -2.393
333 HZ3 LYS 55 HZ3 LYS 55 9.044 8.251 -3.536
334 H ALA 56 H ALA 56 7.492 3.186 1.126
335 HA ALA 56 HA ALA 56 5.796 2.564 -1.165
336 HB1 ALA 56 HB1 ALA 56 5.885 0.868 1.324
337 HB2 ALA 56 HB2 ALA 56 6.331 0.376 -0.313
338 HB3 ALA 56 HB3 ALA 56 4.654 0.768 0.064
339 H TRP 57 H TRP 57 3.760 3.421 -0.964
340 HA TRP 57 HA TRP 57 2.788 4.400 1.548
341 HB2 TRP 57 HB2 TRP 57 2.791 6.760 1.031
342 HB3 TRP 57 HB3 TRP 57 4.435 6.152 0.938
343 HD1 TRP 57 HD1 TRP 57 2.036 8.219 -0.909
344 HE1 TRP 57 HE1 TRP 57 2.873 8.707 -3.290
345 HE3 TRP 57 HE3 TRP 57 5.794 4.751 -1.185
346 HZ2 TRP 57 HZ2 TRP 57 4.842 7.733 -5.060
347 HZ3 TRP 57 HZ3 TRP 57 7.100 4.603 -3.264
348 HH2 TRP 57 HH2 TRP 57 6.636 6.068 -5.157
349 H GLY 58 H GLY 58 0.690 5.520 1.296
350 HA2 GLY 58 HA2 GLY 58 -0.729 4.641 -1.128
351 HA3 GLY 58 HA3 GLY 58 -1.311 4.141 0.453
352 H GLU 59 H GLU 59 -3.146 5.260 0.854
353 HA GLU 59 HA GLU 59 -3.130 8.126 0.240
354 HB2 GLU 59 HB2 GLU 59 -4.296 6.587 -1.442
355 HB3 GLU 59 HB3 GLU 59 -5.537 6.431 -0.224
356 HG2 GLU 59 HG2 GLU 59 -6.094 8.706 -0.333
357 HG3 GLU 59 HG3 GLU 59 -4.619 9.108 -1.210
358 H ALA 60 H ALA 60 -3.286 6.137 2.728
359 HA ALA 60 HA ALA 60 -5.628 6.845 4.129
360 HB1 ALA 60 HB1 ALA 60 -4.521 6.025 6.116
361 HB2 ALA 60 HB2 ALA 60 -2.959 6.091 5.306
362 HB3 ALA 60 HB3 ALA 60 -4.186 4.948 4.761
363 H ASN 61 H ASN 61 -5.376 8.047 6.382
364 HA ASN 61 HA ASN 61 -4.940 10.755 5.860
365 HB2 ASN 61 HB2 ASN 61 -5.032 9.244 8.463
366 HB3 ASN 61 HB3 ASN 61 -4.863 10.992 8.397
367 HD21 ASN 61 HD21 ASN 61 -7.006 9.333 9.496
368 HD22 ASN 61 HD22 ASN 61 -8.454 9.827 8.689
369 H HIS 62 H HIS 62 -2.775 8.261 6.972
370 HA HIS 62 HA HIS 62 -0.574 10.198 7.142
371 HB2 HIS 62 HB2 HIS 62 -0.893 7.365 8.081
372 HB3 HIS 62 HB3 HIS 62 0.707 8.071 7.903
373 HD1 HIS 62 HD1 HIS 62 1.492 8.585 10.184
374 HD2 HIS 62 HD2 HIS 62 -2.493 9.639 9.647
375 HE1 HIS 62 HE1 HIS 62 0.789 9.684 12.331
376 HE2 HIS 62 HE2 HIS 62 -1.657 10.204 12.030
377 H GLY 63 H GLY 63 -1.980 8.813 4.673
378 HA2 GLY 63 HA2 GLY 63 -1.284 8.397 2.527
379 HA3 GLY 63 HA3 GLY 63 0.323 8.917 3.016
380 H GLN 64 H GLN 64 -1.675 6.231 4.183
381 HA GLN 64 HA GLN 64 0.654 4.509 3.719
382 HB2 GLN 64 HB2 GLN 64 -1.622 4.182 5.674
383 HB3 GLN 64 HB3 GLN 64 -0.234 3.124 5.532
384 HG2 GLN 64 HG2 GLN 64 0.165 6.021 6.085
385 HG3 GLN 64 HG3 GLN 64 -0.311 4.932 7.382
386 HE21 GLN 64 HE21 GLN 64 1.766 3.908 4.753
387 HE22 GLN 64 HE22 GLN 64 3.201 3.774 5.699
388 H LEU 65 H LEU 65 -2.874 4.625 3.366
389 HA LEU 65 HA LEU 65 -3.212 3.174 1.090
390 HB2 LEU 65 HB2 LEU 65 -2.119 1.262 2.197
391 HB3 LEU 65 HB3 LEU 65 -3.288 1.346 3.499
392 HG LEU 65 HG LEU 65 -5.084 0.771 1.902
393 HD11 LEU 65 HD11 LEU 65 -2.807 0.430 -0.046
394 HD12 LEU 65 HD12 LEU 65 -4.090 1.636 -0.138
395 HD13 LEU 65 HD13 LEU 65 -4.474 -0.076 -0.319
396 HD21 LEU 65 HD21 LEU 65 -4.432 -1.575 1.626
397 HD22 LEU 65 HD22 LEU 65 -4.006 -0.964 3.227
398 HD23 LEU 65 HD23 LEU 65 -2.761 -1.147 1.989
399 H LEU 66 H LEU 66 -5.330 3.529 0.587
400 HA LEU 66 HA LEU 66 -7.271 3.608 2.703
401 HB2 LEU 66 HB2 LEU 66 -6.232 5.789 2.840
402 HB3 LEU 66 HB3 LEU 66 -6.589 6.091 1.175
403 HG LEU 66 HG LEU 66 -9.038 5.898 1.745
404 HD11 LEU 66 HD11 LEU 66 -9.661 6.125 4.103
405 HD12 LEU 66 HD12 LEU 66 -7.968 5.941 4.564
406 HD13 LEU 66 HD13 LEU 66 -8.823 4.606 3.792
407 HD21 LEU 66 HD21 LEU 66 -9.171 8.113 2.773
408 HD22 LEU 66 HD22 LEU 66 -7.982 8.059 1.472
409 HD23 LEU 66 HD23 LEU 66 -7.449 8.033 3.155
410 H ILE 67 H ILE 67 -9.352 3.360 2.042
411 HA ILE 67 HA ILE 67 -9.718 3.024 -0.846
412 HB ILE 67 HB ILE 67 -10.102 1.010 0.558
413 HG12 ILE 67 HG12 ILE 67 -12.685 1.902 -0.687
414 HG13 ILE 67 HG13 ILE 67 -11.253 1.559 -1.656
415 HG21 ILE 67 HG21 ILE 67 -12.499 2.499 1.622
416 HG22 ILE 67 HG22 ILE 67 -11.046 2.100 2.544
417 HG23 ILE 67 HG23 ILE 67 -12.084 0.811 1.933
418 HD11 ILE 67 HD11 ILE 67 -11.195 -0.701 -0.739
419 HD12 ILE 67 HD12 ILE 67 -12.701 -0.358 -1.585
420 HD13 ILE 67 HD13 ILE 67 -12.661 -0.359 0.181
421 H LYS 68 H LYS 68 -10.620 4.704 -1.780
422 HA LYS 68 HA LYS 68 -12.780 6.121 -0.385
423 HB2 LYS 68 HB2 LYS 68 -11.833 8.268 -0.840
424 HB3 LYS 68 HB3 LYS 68 -10.588 7.308 -0.058
425 HG2 LYS 68 HG2 LYS 68 -9.269 8.017 -1.698
426 HG3 LYS 68 HG3 LYS 68 -10.107 6.831 -2.702
427 HD2 LYS 68 HD2 LYS 68 -11.812 8.673 -3.167
428 HD3 LYS 68 HD3 LYS 68 -10.626 9.783 -2.460
429 HE2 LYS 68 HE2 LYS 68 -10.148 7.964 -4.821
430 HE3 LYS 68 HE3 LYS 68 -10.425 9.704 -4.897
431 HZ1 LYS 68 HZ1 LYS 68 -8.400 10.071 -3.681
432 HZ2 LYS 68 HZ2 LYS 68 -8.065 9.109 -5.026
433 HZ3 LYS 68 HZ3 LYS 68 -8.146 8.408 -3.486
434 HA PRO 69 HA PRO 69 -15.163 5.749 -4.040
435 HB2 PRO 69 HB2 PRO 69 -16.036 8.440 -4.053
436 HB3 PRO 69 HB3 PRO 69 -16.856 7.057 -3.325
437 HG2 PRO 69 HG2 PRO 69 -15.088 9.089 -2.061
438 HG3 PRO 69 HG3 PRO 69 -16.479 8.234 -1.387
439 HD2 PRO 69 HD2 PRO 69 -14.016 7.582 -0.669
440 HD3 PRO 69 HD3 PRO 69 -15.251 6.328 -0.925
441 H GLN 70 H GLN 70 -14.680 5.830 -6.089
442 HA GLN 70 HA GLN 70 -12.515 7.164 -7.225
443 HB2 GLN 70 HB2 GLN 70 -13.496 5.171 -8.197
444 HB3 GLN 70 HB3 GLN 70 -15.005 6.016 -8.502
445 HG2 GLN 70 HG2 GLN 70 -13.714 7.535 -10.034
446 HG3 GLN 70 HG3 GLN 70 -12.346 6.437 -9.840
447 HE21 GLN 70 HE21 GLN 70 -12.331 5.822 -11.990
448 HE22 GLN 70 HE22 GLN 70 -13.558 4.816 -12.674
449 H GLY 71 H GLY 71 -12.238 9.182 -7.827
450 HA2 GLY 71 HA2 GLY 71 -12.762 11.287 -8.701
451 HA3 GLY 71 HA3 GLY 71 -14.458 10.828 -8.731
452 H GLY 72 H GLY 72 -13.394 9.968 -5.783
453 HA2 GLY 72 HA2 GLY 72 -14.471 12.411 -4.569
454 HA3 GLY 72 HA3 GLY 72 -14.366 10.834 -3.804
455 H ASN 73 H ASN 73 -13.545 12.530 -2.172
456 HA ASN 73 HA ASN 73 -10.667 12.993 -2.523
457 HB2 ASN 73 HB2 ASN 73 -12.659 14.183 -0.586
458 HB3 ASN 73 HB3 ASN 73 -10.936 14.542 -0.580
459 HD21 ASN 73 HD21 ASN 73 -10.075 15.813 -2.202
460 HD22 ASN 73 HD22 ASN 73 -11.061 16.757 -3.257
461 H LYS 74 H LYS 74 -9.191 12.255 -1.113
462 HA LYS 74 HA LYS 74 -9.677 9.841 0.148
463 HB2 LYS 74 HB2 LYS 74 -7.443 9.932 1.000
464 HB3 LYS 74 HB3 LYS 74 -7.447 10.600 -0.622
465 HG2 LYS 74 HG2 LYS 74 -7.644 12.370 1.770
466 HG3 LYS 74 HG3 LYS 74 -6.085 11.768 1.213
467 HD2 LYS 74 HD2 LYS 74 -6.589 12.737 -1.026
468 HD3 LYS 74 HD3 LYS 74 -8.051 13.447 -0.341
469 HE2 LYS 74 HE2 LYS 74 -6.711 14.721 1.238
470 HE3 LYS 74 HE3 LYS 74 -5.242 13.973 0.617
471 HZ1 LYS 74 HZ1 LYS 74 -5.561 16.166 -0.315
472 HZ2 LYS 74 HZ2 LYS 74 -7.076 15.726 -0.922
473 HZ3 LYS 74 HZ3 LYS 74 -5.679 14.996 -1.530
474 H SER 75 H SER 75 -9.965 13.069 1.372
475 HA SER 75 HA SER 75 -9.991 12.358 4.134
476 HB2 SER 75 HB2 SER 75 -11.119 14.821 2.784
477 HB3 SER 75 HB3 SER 75 -10.757 14.644 4.501
478 HG SER 75 HG SER 75 -8.544 14.286 3.866
479 H ALA 76 H ALA 76 -12.201 11.970 1.616
480 HA ALA 76 HA ALA 76 -14.482 11.763 3.459
481 HB1 ALA 76 HB1 ALA 76 -14.839 13.197 1.508
482 HB2 ALA 76 HB2 ALA 76 -15.885 11.778 1.456
483 HB3 ALA 76 HB3 ALA 76 -14.442 11.847 0.444
484 H GLY 77 H GLY 77 -12.111 9.955 2.054
485 HA2 GLY 77 HA2 GLY 77 -13.494 7.619 1.270
486 HA3 GLY 77 HA3 GLY 77 -11.783 7.734 1.641
487 H PHE 78 H PHE 78 -12.793 5.478 2.337
488 HA PHE 78 HA PHE 78 -13.753 5.655 5.111
489 HB2 PHE 78 HB2 PHE 78 -14.058 3.405 3.129
490 HB3 PHE 78 HB3 PHE 78 -14.747 3.471 4.753
491 HD1 PHE 78 HD1 PHE 78 -15.575 6.350 4.791
492 HD2 PHE 78 HD2 PHE 78 -15.992 3.344 1.811
493 HE1 PHE 78 HE1 PHE 78 -17.545 7.520 3.905
494 HE2 PHE 78 HE2 PHE 78 -17.991 4.492 0.935
495 HZ PHE 78 HZ PHE 78 -18.751 6.600 1.970
496 H THR 79 H THR 79 -12.538 4.818 6.696
497 HA THR 79 HA THR 79 -9.828 4.220 6.154
498 HB THR 79 HB THR 79 -9.767 3.646 8.632
499 HG1 THR 79 HG1 THR 79 -12.435 3.742 8.244
500 HG21 THR 79 HG21 THR 79 -9.999 5.992 9.305
501 HG22 THR 79 HG22 THR 79 -10.847 6.340 7.799
502 HG23 THR 79 HG23 THR 79 -9.155 5.848 7.764
503 H LEU 80 H LEU 80 -8.649 2.342 6.615
504 HA LEU 80 HA LEU 80 -9.983 -0.028 5.665
505 HB2 LEU 80 HB2 LEU 80 -7.159 0.776 6.150
506 HB3 LEU 80 HB3 LEU 80 -7.538 -0.926 6.025
507 HG LEU 80 HG LEU 80 -6.766 -0.083 3.895
508 HD11 LEU 80 HD11 LEU 80 -8.585 -0.782 2.468
509 HD12 LEU 80 HD12 LEU 80 -9.743 -0.549 3.775
510 HD13 LEU 80 HD13 LEU 80 -8.525 -1.818 3.893
511 HD21 LEU 80 HD21 LEU 80 -9.060 1.853 4.081
512 HD22 LEU 80 HD22 LEU 80 -8.011 1.629 2.678
513 HD23 LEU 80 HD23 LEU 80 -7.345 2.251 4.189
514 H ALA 81 H ALA 81 -10.860 0.701 8.208
515 HA ALA 81 HA ALA 81 -11.258 -0.005 10.310
516 HB1 ALA 81 HB1 ALA 81 -11.823 -2.035 8.986
517 HB2 ALA 81 HB2 ALA 81 -11.366 -2.355 10.664
518 HB3 ALA 81 HB3 ALA 81 -10.215 -2.660 9.362
519 H SER 82 H SER 82 -8.605 -2.283 9.974
520 HA SER 82 HA SER 82 -6.906 -0.604 11.658
521 HB2 SER 82 HB2 SER 82 -6.356 -2.640 13.046
522 HB3 SER 82 HB3 SER 82 -7.997 -2.033 13.263
523 HG SER 82 HG SER 82 -7.185 -4.234 11.657
524 HA PRO 83 HA PRO 83 -4.665 -2.185 7.934
525 HB2 PRO 83 HB2 PRO 83 -3.088 0.198 8.732
526 HB3 PRO 83 HB3 PRO 83 -3.648 -0.299 7.132
527 HG2 PRO 83 HG2 PRO 83 -4.816 1.711 8.399
528 HG3 PRO 83 HG3 PRO 83 -5.786 0.534 7.486
529 HD2 PRO 83 HD2 PRO 83 -5.365 0.757 10.442
530 HD3 PRO 83 HD3 PRO 83 -6.843 0.356 9.542
531 H ARG 84 H ARG 84 -3.133 -3.681 8.130
532 HA ARG 84 HA ARG 84 -1.191 -3.416 10.333
533 HB2 ARG 84 HB2 ARG 84 -2.037 -5.939 8.899
534 HB3 ARG 84 HB3 ARG 84 -0.916 -5.837 10.249
535 HG2 ARG 84 HG2 ARG 84 -3.837 -5.124 10.334
536 HG3 ARG 84 HG3 ARG 84 -3.114 -6.606 10.958
537 HD2 ARG 84 HD2 ARG 84 -1.817 -5.323 12.561
538 HD3 ARG 84 HD3 ARG 84 -2.462 -3.818 11.905
539 HE ARG 84 HE ARG 84 -4.638 -5.364 12.638
540 HH11 ARG 84 HH11 ARG 84 -1.902 -3.869 14.235
541 HH12 ARG 84 HH12 ARG 84 -2.741 -3.657 15.738
542 HH21 ARG 84 HH21 ARG 84 -5.735 -5.077 14.603
543 HH22 ARG 84 HH22 ARG 84 -4.919 -4.337 15.944
544 H PHE 85 H PHE 85 0.997 -3.913 9.885
545 HA PHE 85 HA PHE 85 1.690 -3.746 7.029
546 HB2 PHE 85 HB2 PHE 85 3.198 -2.475 9.325
547 HB3 PHE 85 HB3 PHE 85 3.595 -2.345 7.616
548 HD1 PHE 85 HD2 PHE 85 1.322 -1.277 10.268
549 HD2 PHE 85 HD1 PHE 85 2.362 -0.861 6.159
550 HE1 PHE 85 HE2 PHE 85 -0.071 0.739 10.128
551 HE2 PHE 85 HE1 PHE 85 0.972 1.163 6.016
552 HZ PHE 85 HZ PHE 85 -0.253 1.965 8.001
553 H SER 86 H SER 86 2.506 -5.650 6.475
554 HA SER 86 HA SER 86 4.300 -7.036 8.346
555 HB2 SER 86 HB2 SER 86 3.019 -8.060 5.796
556 HB3 SER 86 HB3 SER 86 3.946 -9.016 6.953
557 HG SER 86 HG SER 86 2.056 -7.785 8.323
558 H TYR 87 H TYR 87 6.332 -7.936 7.433
559 HA TYR 87 HA TYR 87 7.291 -6.899 4.953
560 HB2 TYR 87 HB2 TYR 87 8.866 -5.303 5.699
561 HB3 TYR 87 HB3 TYR 87 7.370 -4.902 6.527
562 HD1 TYR 87 HD2 TYR 87 7.623 -7.125 8.670
563 HD2 TYR 87 HD1 TYR 87 10.332 -4.216 7.185
564 HE1 TYR 87 HE2 TYR 87 8.840 -7.166 10.811
565 HE2 TYR 87 HE1 TYR 87 11.558 -4.240 9.302
566 HH TYR 87 HH TYR 87 11.219 -6.640 11.584
567 H ILE 88 H ILE 88 9.901 -7.121 5.082
568 HA ILE 88 HA ILE 88 10.366 -9.896 5.804
569 HB ILE 88 HB ILE 88 11.951 -7.857 4.265
570 HG12 ILE 88 HG12 ILE 88 10.124 -9.004 3.108
571 HG13 ILE 88 HG13 ILE 88 11.696 -9.397 2.416
572 HG21 ILE 88 HG21 ILE 88 13.564 -9.095 5.612
573 HG22 ILE 88 HG22 ILE 88 13.723 -9.460 3.890
574 HG23 ILE 88 HG23 ILE 88 12.923 -10.609 4.969
575 HD11 ILE 88 HD11 ILE 88 10.366 -11.373 2.554
576 HD12 ILE 88 HD12 ILE 88 10.062 -11.093 4.267
577 HD13 ILE 88 HD13 ILE 88 11.688 -11.482 3.714
578 HA PRO 89 HA PRO 89 11.754 -8.263 9.766
579 HB2 PRO 89 HB2 PRO 89 12.271 -11.117 10.326
580 HB3 PRO 89 HB3 PRO 89 11.259 -9.965 11.201
581 HG2 PRO 89 HG2 PRO 89 10.180 -11.917 9.725
582 HG3 PRO 89 HG3 PRO 89 9.438 -10.309 9.816
583 HD2 PRO 89 HD2 PRO 89 11.124 -11.498 7.643
584 HD3 PRO 89 HD3 PRO 89 9.661 -10.498 7.517
585 H ASN 90 H ASN 90 13.683 -7.386 9.875
586 HA ASN 90 HA ASN 90 16.059 -8.809 10.214
587 HB2 ASN 90 HB2 ASN 90 15.841 -9.271 7.787
588 HB3 ASN 90 HB3 ASN 90 15.818 -7.538 7.474
589 HD21 ASN 90 HD21 ASN 90 17.654 -7.708 6.173
590 HD22 ASN 90 HD22 ASN 90 19.231 -7.933 6.850
591 H ASN 91 H ASN 91 15.333 -5.835 8.401
592 HA ASN 91 HA ASN 91 16.440 -4.255 10.614
593 HB2 ASN 91 HB2 ASN 91 17.234 -4.067 7.703
594 HB3 ASN 91 HB3 ASN 91 17.565 -2.801 8.877
595 HD21 ASN 91 HD21 ASN 91 19.387 -4.410 7.288
596 HD22 ASN 91 HD22 ASN 91 20.431 -5.205 8.422
597 HA PRO 92 HA PRO 92 12.638 -2.171 9.255
598 HB2 PRO 92 HB2 PRO 92 11.997 -1.561 11.933
599 HB3 PRO 92 HB3 PRO 92 11.332 -2.864 10.953
600 HG2 PRO 92 HG2 PRO 92 12.945 -3.169 13.209
601 HG3 PRO 92 HG3 PRO 92 12.566 -4.419 12.014
602 HD2 PRO 92 HD2 PRO 92 15.000 -2.722 12.271
603 HD3 PRO 92 HD3 PRO 92 14.848 -4.408 11.734
604 H ALA 93 H ALA 93 11.695 0.006 10.037
605 HA ALA 93 HA ALA 93 13.583 1.870 11.163
606 HB1 ALA 93 HB1 ALA 93 12.680 2.205 8.301
607 HB2 ALA 93 HB2 ALA 93 14.318 1.816 8.833
608 HB3 ALA 93 HB3 ALA 93 13.608 3.378 9.239
609 H ASN 94 H ASN 94 12.562 4.163 11.009
610 HA ASN 94 HA ASN 94 9.878 3.915 12.078
611 HB2 ASN 94 HB2 ASN 94 11.754 6.279 11.855
612 HB3 ASN 94 HB3 ASN 94 10.165 6.347 12.607
613 HD21 ASN 94 HD21 ASN 94 12.844 6.818 13.705
614 HD22 ASN 94 HD22 ASN 94 12.986 5.749 15.055
615 H ILE 95 H ILE 95 8.083 5.051 11.328
616 HA ILE 95 HA ILE 95 7.924 5.360 8.484
617 HB ILE 95 HB ILE 95 5.878 6.064 10.603
618 HG12 ILE 95 HG12 ILE 95 6.175 3.543 8.954
619 HG13 ILE 95 HG13 ILE 95 6.570 3.689 10.663
620 HG21 ILE 95 HG21 ILE 95 4.249 5.886 8.775
621 HG22 ILE 95 HG22 ILE 95 5.566 5.617 7.635
622 HG23 ILE 95 HG23 ILE 95 5.431 7.161 8.477
623 HD11 ILE 95 HD11 ILE 95 4.234 4.149 11.169
624 HD12 ILE 95 HD12 ILE 95 4.416 2.613 10.322
625 HD13 ILE 95 HD13 ILE 95 3.834 4.034 9.455
626 H MET 96 H MET 96 9.168 7.045 7.812
627 HA MET 96 HA MET 96 8.290 9.725 8.573
628 HB2 MET 96 HB2 MET 96 11.156 8.770 8.648
629 HB3 MET 96 HB3 MET 96 10.696 10.466 8.639
630 HG2 MET 96 HG2 MET 96 9.525 10.183 10.741
631 HG3 MET 96 HG3 MET 96 9.915 8.464 10.744
632 HE1 MET 96 HE1 MET 96 11.314 12.106 10.974
633 HE2 MET 96 HE2 MET 96 12.258 11.453 9.636
634 HE3 MET 96 HE3 MET 96 13.044 11.831 11.168
635 H ASN 97 H ASN 97 9.747 11.308 7.117
636 HA ASN 97 HA ASN 97 10.323 12.076 5.057
637 HB2 ASN 97 HB2 ASN 97 10.489 9.156 4.274
638 HB3 ASN 97 HB3 ASN 97 11.093 10.504 3.321
639 HD21 ASN 97 HD21 ASN 97 12.434 8.167 4.501
640 HD22 ASN 97 HD22 ASN 97 13.721 8.808 5.461
641 H GLY 98 H GLY 98 7.535 10.800 5.866
642 HA2 GLY 98 HA2 GLY 98 5.473 11.432 4.923
643 HA3 GLY 98 HA3 GLY 98 6.267 11.626 3.368
644 H PHE 99 H PHE 99 7.136 8.725 4.901
645 HA PHE 99 HA PHE 99 4.946 7.147 3.910
646 HB2 PHE 99 HB2 PHE 99 6.400 5.843 2.310
647 HB3 PHE 99 HB3 PHE 99 5.978 7.467 1.787
648 HD1 PHE 99 HD2 PHE 99 8.705 5.405 3.205
649 HD2 PHE 99 HD1 PHE 99 7.628 9.069 1.331
650 HE1 PHE 99 HE2 PHE 99 11.084 5.913 2.831
651 HE2 PHE 99 HE1 PHE 99 10.003 9.578 0.952
652 HZ PHE 99 HZ PHE 99 11.735 7.999 1.702
653 H VAL 100 H VAL 100 5.909 4.694 3.809
654 HA VAL 100 HA VAL 100 7.205 4.320 6.414
655 HB VAL 100 HB VAL 100 5.025 3.251 6.329
656 HG11 VAL 100 HG11 VAL 100 6.053 1.727 3.936
657 HG12 VAL 100 HG12 VAL 100 4.806 2.974 3.918
658 HG13 VAL 100 HG13 VAL 100 4.516 1.450 4.756
659 HG21 VAL 100 HG21 VAL 100 7.245 1.211 6.148
660 HG22 VAL 100 HG22 VAL 100 5.665 0.958 6.891
661 HG23 VAL 100 HG23 VAL 100 6.790 2.124 7.586
662 H LEU 101 H LEU 101 9.118 3.370 6.531
663 HA LEU 101 HA LEU 101 10.159 1.893 4.300
664 HB2 LEU 101 HB2 LEU 101 12.251 3.173 4.177
665 HB3 LEU 101 HB3 LEU 101 10.853 4.031 3.591
666 HG LEU 101 HG LEU 101 12.279 5.559 4.711
667 HD11 LEU 101 HD11 LEU 101 9.947 4.959 6.494
668 HD12 LEU 101 HD12 LEU 101 9.908 5.930 5.026
669 HD13 LEU 101 HD13 LEU 101 10.838 6.481 6.424
670 HD21 LEU 101 HD21 LEU 101 13.487 3.918 6.090
671 HD22 LEU 101 HD22 LEU 101 12.108 3.872 7.187
672 HD23 LEU 101 HD23 LEU 101 13.017 5.366 6.972
673 H THR 102 H THR 102 11.925 0.610 4.769
674 HA THR 102 HA THR 102 12.409 0.221 7.649
675 HB THR 102 HB THR 102 12.953 -2.078 7.133
676 HG1 THR 102 HG1 THR 102 13.887 -1.961 5.116
677 HG21 THR 102 HG21 THR 102 10.641 -1.820 7.501
678 HG22 THR 102 HG22 THR 102 10.765 -2.799 6.038
679 HG23 THR 102 HG23 THR 102 10.390 -1.082 5.920
680 H ASN 103 H ASN 103 14.720 -1.072 7.702
681 HA ASN 103 HA ASN 103 16.624 0.794 6.533
682 HB2 ASN 103 HB2 ASN 103 16.654 -1.167 8.759
683 HB3 ASN 103 HB3 ASN 103 18.176 -0.947 7.902
684 HD21 ASN 103 HD21 ASN 103 19.151 -0.021 9.684
685 HD22 ASN 103 HD22 ASN 103 18.778 1.582 10.210
686 HA PRO 104 HA PRO 104 18.077 -1.765 3.237
687 HB2 PRO 104 HB2 PRO 104 20.768 -2.098 3.829
688 HB3 PRO 104 HB3 PRO 104 20.069 -0.721 2.968
689 HG2 PRO 104 HG2 PRO 104 20.810 -0.975 5.854
690 HG3 PRO 104 HG3 PRO 104 21.015 0.405 4.758
691 HD2 PRO 104 HD2 PRO 104 19.040 0.360 6.559
692 HD3 PRO 104 HD3 PRO 104 18.781 1.033 4.935
693 H GLY 105 H GLY 105 18.214 -3.884 2.767
694 HA2 GLY 105 HA2 GLY 105 18.831 -6.158 3.311
695 HA3 GLY 105 HA3 GLY 105 18.665 -5.741 5.010
696 H VAL 106 H VAL 106 16.222 -4.132 3.940
697 HA VAL 106 HA VAL 106 14.357 -6.408 3.816
698 HB VAL 106 HB VAL 106 13.936 -3.766 5.225
699 HG11 VAL 106 HG11 VAL 106 11.802 -4.684 5.962
700 HG12 VAL 106 HG12 VAL 106 12.085 -6.136 5.006
701 HG13 VAL 106 HG13 VAL 106 11.870 -4.581 4.202
702 HG21 VAL 106 HG21 VAL 106 13.838 -5.118 7.264
703 HG22 VAL 106 HG22 VAL 106 15.407 -5.238 6.465
704 HG23 VAL 106 HG23 VAL 106 14.240 -6.554 6.321
705 H TYR 107 H TYR 107 12.902 -6.355 2.195
706 HA TYR 107 HA TYR 107 12.184 -3.805 0.969
707 HB2 TYR 107 HB2 TYR 107 12.372 -5.006 -1.276
708 HB3 TYR 107 HB3 TYR 107 13.918 -4.740 -0.475
709 HD1 TYR 107 HD1 TYR 107 14.905 -6.662 0.910
710 HD2 TYR 107 HD2 TYR 107 11.721 -7.236 -1.852
711 HE1 TYR 107 HE1 TYR 107 15.364 -9.068 0.897
712 HE2 TYR 107 HE2 TYR 107 12.183 -9.651 -1.880
713 HH TYR 107 HH TYR 107 14.184 -11.158 -1.411
714 H GLN 108 H GLN 108 10.259 -4.161 2.270
715 HA GLN 108 HA GLN 108 8.257 -5.625 0.873
716 HB2 GLN 108 HB2 GLN 108 9.496 -7.403 2.175
717 HB3 GLN 108 HB3 GLN 108 8.918 -6.629 3.643
718 HG2 GLN 108 HG2 GLN 108 7.492 -8.467 3.183
719 HG3 GLN 108 HG3 GLN 108 6.589 -6.994 2.834
720 HE21 GLN 108 HE21 GLN 108 9.060 -8.142 0.682
721 HE22 GLN 108 HE22 GLN 108 8.004 -8.677 -0.574
722 H LEU 109 H LEU 109 6.375 -4.528 1.183
723 HA LEU 109 HA LEU 109 5.803 -3.768 3.934
724 HB2 LEU 109 HB2 LEU 109 6.651 -1.765 2.582
725 HB3 LEU 109 HB3 LEU 109 5.147 -1.860 1.697
726 HG LEU 109 HG LEU 109 5.208 -0.153 3.537
727 HD11 LEU 109 HD11 LEU 109 3.094 -1.017 2.636
728 HD12 LEU 109 HD12 LEU 109 2.979 -0.602 4.342
729 HD13 LEU 109 HD13 LEU 109 3.111 -2.291 3.854
730 HD21 LEU 109 HD21 LEU 109 6.491 -1.499 5.145
731 HD22 LEU 109 HD22 LEU 109 5.104 -2.573 5.329
732 HD23 LEU 109 HD23 LEU 109 4.985 -0.887 5.827
733 H GLY 110 H GLY 110 4.203 -5.027 4.361
734 HA2 GLY 110 HA2 GLY 110 2.143 -5.524 2.324
735 HA3 GLY 110 HA3 GLY 110 2.421 -6.496 3.766
736 H MET 111 H MET 111 0.605 -4.029 2.397
737 HA MET 111 HA MET 111 -0.256 -3.000 5.017
738 HB2 MET 111 HB2 MET 111 0.501 -1.637 2.769
739 HB3 MET 111 HB3 MET 111 -1.224 -1.732 2.548
740 HG2 MET 111 HG2 MET 111 0.178 -0.574 4.935
741 HG3 MET 111 HG3 MET 111 -0.556 0.341 3.622
742 HE1 MET 111 HE1 MET 111 -2.000 1.795 4.939
743 HE2 MET 111 HE2 MET 111 -1.428 1.187 6.492
744 HE3 MET 111 HE3 MET 111 -3.157 1.310 6.176
745 H GLN 112 H GLN 112 -1.846 -4.326 5.695
746 HA GLN 112 HA GLN 112 -3.889 -5.045 3.714
747 HB2 GLN 112 HB2 GLN 112 -4.447 -6.938 5.300
748 HB3 GLN 112 HB3 GLN 112 -2.940 -7.064 4.410
749 HG2 GLN 112 HG2 GLN 112 -1.736 -6.279 6.408
750 HG3 GLN 112 HG3 GLN 112 -3.265 -6.274 7.290
751 HE21 GLN 112 HE21 GLN 112 -2.521 -7.835 8.746
752 HE22 GLN 112 HE22 GLN 112 -2.339 -9.492 8.297
753 H GLY 113 H GLY 113 -5.764 -4.193 3.908
754 HA2 GLY 113 HA2 GLY 113 -6.518 -3.001 6.498
755 HA3 GLY 113 HA3 GLY 113 -6.937 -2.320 4.934
756 H SER 114 H SER 114 -9.059 -2.571 6.402
757 HA SER 114 HA SER 114 -10.433 -4.808 5.110
758 HB2 SER 114 HB2 SER 114 -9.758 -5.341 7.573
759 HB3 SER 114 HB3 SER 114 -11.010 -4.175 7.987
760 HG SER 114 HG SER 114 -11.312 -6.725 7.400
761 H ILE 115 H ILE 115 -11.996 -3.775 3.940
762 HA ILE 115 HA ILE 115 -13.329 -1.475 5.039
763 HB ILE 115 HB ILE 115 -13.406 -1.600 2.664
764 HG12 ILE 115 HG12 ILE 115 -16.140 -2.394 3.701
765 HG13 ILE 115 HG13 ILE 115 -15.460 -0.770 3.764
766 HG21 ILE 115 HG21 ILE 115 -13.037 -4.023 2.472
767 HG22 ILE 115 HG22 ILE 115 -14.317 -3.442 1.405
768 HG23 ILE 115 HG23 ILE 115 -14.728 -4.288 2.896
769 HD11 ILE 115 HD11 ILE 115 -16.096 -2.329 1.271
770 HD12 ILE 115 HD12 ILE 115 -15.398 -0.711 1.322
771 HD13 ILE 115 HD13 ILE 115 -17.028 -0.988 1.935
772 H THR 116 H THR 116 -14.596 -1.584 6.720
773 HA THR 116 HA THR 116 -15.712 -4.193 7.481
774 HB THR 116 HB THR 116 -15.553 -3.159 9.831
775 HG1 THR 116 HG1 THR 116 -13.954 -1.489 9.967
776 HG21 THR 116 HG21 THR 116 -14.050 -4.919 9.066
777 HG22 THR 116 HG22 THR 116 -13.168 -3.732 10.026
778 HG23 THR 116 HG23 THR 116 -13.029 -3.721 8.268
779 HA PRO 117 HA PRO 117 -19.864 -2.609 7.987
780 HB2 PRO 117 HB2 PRO 117 -20.421 -3.175 10.632
781 HB3 PRO 117 HB3 PRO 117 -20.546 -4.337 9.307
782 HG2 PRO 117 HG2 PRO 117 -18.324 -3.927 11.267
783 HG3 PRO 117 HG3 PRO 117 -19.012 -5.443 10.652
784 HD2 PRO 117 HD2 PRO 117 -16.699 -4.511 9.714
785 HD3 PRO 117 HD3 PRO 117 -17.870 -5.284 8.634
786 H ALA 118 H ALA 118 -17.265 -1.292 9.594
787 HA ALA 118 HA ALA 118 -18.477 0.592 11.308
788 HB1 ALA 118 HB1 ALA 118 -15.826 0.749 9.878
789 HB2 ALA 118 HB2 ALA 118 -16.107 -0.003 11.446
790 HB3 ALA 118 HB3 ALA 118 -16.323 1.735 11.253
791 H ILE 119 H ILE 119 -18.134 0.421 7.879
792 HA ILE 119 HA ILE 119 -19.349 3.084 7.727
793 HB ILE 119 HB ILE 119 -17.079 3.102 6.753
794 HG12 ILE 119 HG12 ILE 119 -19.243 4.345 5.840
795 HG13 ILE 119 HG13 ILE 119 -17.675 4.527 5.067
796 HG21 ILE 119 HG21 ILE 119 -16.495 1.908 4.795
797 HG22 ILE 119 HG22 ILE 119 -18.140 1.293 4.593
798 HG23 ILE 119 HG23 ILE 119 -17.143 0.729 5.940
799 HD11 ILE 119 HD11 ILE 119 -19.821 2.607 4.193
800 HD12 ILE 119 HD12 ILE 119 -18.278 2.915 3.391
801 HD13 ILE 119 HD13 ILE 119 -19.501 4.183 3.465
802 HA PRO 120 HA PRO 120 -22.695 0.706 5.953
803 HB2 PRO 120 HB2 PRO 120 -24.325 2.831 5.449
804 HB3 PRO 120 HB3 PRO 120 -24.173 2.090 7.046
805 HG2 PRO 120 HG2 PRO 120 -22.907 4.578 5.979
806 HG3 PRO 120 HG3 PRO 120 -23.585 4.264 7.587
807 HD2 PRO 120 HD2 PRO 120 -20.916 4.221 7.063
808 HD3 PRO 120 HD3 PRO 120 -21.670 3.235 8.329
809 H LEU 121 H LEU 121 -22.600 0.009 3.957
810 HA LEU 121 HA LEU 121 -21.249 1.508 1.922
811 HB2 LEU 121 HB2 LEU 121 -21.570 -0.473 0.520
812 HB3 LEU 121 HB3 LEU 121 -20.863 -0.866 2.063
813 HG LEU 121 HG LEU 121 -22.321 -2.632 1.452
814 HD11 LEU 121 HD11 LEU 121 -22.395 -2.010 3.819
815 HD12 LEU 121 HD12 LEU 121 -23.881 -2.771 3.255
816 HD13 LEU 121 HD13 LEU 121 -23.824 -1.027 3.496
817 HD21 LEU 121 HD21 LEU 121 -23.670 -1.511 -0.203
818 HD22 LEU 121 HD22 LEU 121 -24.504 -0.606 1.060
819 HD23 LEU 121 HD23 LEU 121 -24.688 -2.357 0.961
820 H ARG 122 H ARG 122 -22.069 2.203 -0.034
821 HA ARG 122 HA ARG 122 -24.639 2.279 -0.967
822 HB2 ARG 122 HB2 ARG 122 -25.250 3.245 1.241
823 HB3 ARG 122 HB3 ARG 122 -24.176 4.598 0.918
824 HG2 ARG 122 HG2 ARG 122 -25.535 5.286 -0.953
825 HG3 ARG 122 HG3 ARG 122 -26.574 3.874 -0.751
826 HD2 ARG 122 HD2 ARG 122 -27.591 5.881 0.208
827 HD3 ARG 122 HD3 ARG 122 -27.254 4.671 1.445
828 HE ARG 122 HE ARG 122 -25.211 6.694 1.070
829 HH11 ARG 122 HH11 ARG 122 -28.049 5.696 2.860
830 HH12 ARG 122 HH12 ARG 122 -27.687 6.691 4.233
831 HH21 ARG 122 HH21 ARG 122 -24.744 8.020 2.860
832 HH22 ARG 122 HH22 ARG 122 -25.814 8.031 4.225
833 HA PRO 123 HA PRO 123 -21.927 6.136 -2.527
834 HB2 PRO 123 HB2 PRO 123 -19.255 5.543 -2.007
835 HB3 PRO 123 HB3 PRO 123 -20.214 6.785 -1.197
836 HG2 PRO 123 HG2 PRO 123 -19.581 4.009 -0.325
837 HG3 PRO 123 HG3 PRO 123 -19.686 5.493 0.637
838 HD2 PRO 123 HD2 PRO 123 -21.638 3.693 0.691
839 HD3 PRO 123 HD3 PRO 123 -22.005 5.425 0.700
840 H GLY 124 H GLY 124 -20.488 6.092 -4.373
841 HA2 GLY 124 HA2 GLY 124 -20.891 3.683 -5.891
842 HA3 GLY 124 HA3 GLY 124 -20.195 5.188 -6.474
843 H LEU 125 H LEU 125 -18.594 3.934 -7.578
844 HA LEU 125 HA LEU 125 -17.153 1.831 -6.453
845 HB2 LEU 125 HB2 LEU 125 -16.449 3.742 -8.674
846 HB3 LEU 125 HB3 LEU 125 -15.505 2.320 -8.294
847 HG LEU 125 HG LEU 125 -18.338 2.398 -9.323
848 HD11 LEU 125 HD11 LEU 125 -15.806 1.261 -10.505
849 HD12 LEU 125 HD12 LEU 125 -16.559 2.786 -10.979
850 HD13 LEU 125 HD13 LEU 125 -17.406 1.263 -11.248
851 HD21 LEU 125 HD21 LEU 125 -18.154 -0.070 -9.334
852 HD22 LEU 125 HD22 LEU 125 -18.192 0.634 -7.718
853 HD23 LEU 125 HD23 LEU 125 -16.663 0.074 -8.401
854 H TYR 126 H TYR 126 -15.194 1.647 -5.488
855 HA TYR 126 HA TYR 126 -14.018 4.093 -4.378
856 HB2 TYR 126 HB2 TYR 126 -13.548 1.194 -3.674
857 HB3 TYR 126 HB3 TYR 126 -12.781 2.560 -2.884
858 HD1 TYR 126 HD1 TYR 126 -15.268 4.331 -2.710
859 HD2 TYR 126 HD2 TYR 126 -14.607 0.230 -1.843
860 HE1 TYR 126 HE1 TYR 126 -17.074 4.403 -1.050
861 HE2 TYR 126 HE2 TYR 126 -16.411 0.280 -0.179
862 HH TYR 126 HH TYR 126 -18.656 2.717 0.003
863 H GLU 127 H GLU 127 -11.690 4.253 -4.303
864 HA GLU 127 HA GLU 127 -10.247 2.746 -6.386
865 HB2 GLU 127 HB2 GLU 127 -10.172 5.708 -5.803
866 HB3 GLU 127 HB3 GLU 127 -8.883 4.888 -6.673
867 HG2 GLU 127 HG2 GLU 127 -11.721 4.687 -7.580
868 HG3 GLU 127 HG3 GLU 127 -10.726 6.076 -8.007
869 H VAL 128 H VAL 128 -8.530 1.744 -5.607
870 HA VAL 128 HA VAL 128 -7.265 2.817 -3.174
871 HB VAL 128 HB VAL 128 -6.535 0.494 -2.655
872 HG11 VAL 128 HG11 VAL 128 -9.521 0.922 -2.813
873 HG12 VAL 128 HG12 VAL 128 -8.455 1.450 -1.509
874 HG13 VAL 128 HG13 VAL 128 -8.714 -0.270 -1.793
875 HG21 VAL 128 HG21 VAL 128 -6.700 -0.535 -4.822
876 HG22 VAL 128 HG22 VAL 128 -8.440 -0.252 -4.866
877 HG23 VAL 128 HG23 VAL 128 -7.759 -1.383 -3.697
878 H VAL 129 H VAL 129 -5.269 3.526 -3.507
879 HA VAL 129 HA VAL 129 -3.798 2.411 -5.793
880 HB VAL 129 HB VAL 129 -4.545 4.728 -6.204
881 HG11 VAL 129 HG11 VAL 129 -3.605 6.589 -4.972
882 HG12 VAL 129 HG12 VAL 129 -2.747 5.477 -3.905
883 HG13 VAL 129 HG13 VAL 129 -4.509 5.532 -3.888
884 HG21 VAL 129 HG21 VAL 129 -1.572 4.315 -5.939
885 HG22 VAL 129 HG22 VAL 129 -2.314 5.649 -6.822
886 HG23 VAL 129 HG23 VAL 129 -2.582 3.986 -7.350
887 H LEU 130 H LEU 130 -1.846 1.626 -5.439
888 HA LEU 130 HA LEU 130 -0.418 2.484 -3.026
889 HB2 LEU 130 HB2 LEU 130 -0.837 -0.236 -4.086
890 HB3 LEU 130 HB3 LEU 130 0.777 0.130 -3.509
891 HG LEU 130 HG LEU 130 -1.772 0.332 -1.906
892 HD11 LEU 130 HD11 LEU 130 -0.838 -1.518 -0.640
893 HD12 LEU 130 HD12 LEU 130 0.559 -1.560 -1.714
894 HD13 LEU 130 HD13 LEU 130 -1.042 -1.950 -2.338
895 HD21 LEU 130 HD21 LEU 130 1.096 0.960 -1.195
896 HD22 LEU 130 HD22 LEU 130 -0.183 0.715 -0.003
897 HD23 LEU 130 HD23 LEU 130 -0.292 2.051 -1.146
898 H ASN 131 H ASN 131 1.674 2.972 -3.190
899 HA ASN 131 HA ASN 131 2.731 3.155 -5.930
900 HB2 ASN 131 HB2 ASN 131 3.045 5.163 -3.701
901 HB3 ASN 131 HB3 ASN 131 3.698 5.305 -5.326
902 HD21 ASN 131 HD21 ASN 131 2.339 5.844 -7.013
903 HD22 ASN 131 HD22 ASN 131 0.751 6.479 -6.755
904 H ALA 132 H ALA 132 4.979 2.971 -6.149
905 HA ALA 132 HA ALA 132 6.415 1.951 -3.785
906 HB1 ALA 132 HB1 ALA 132 5.726 0.005 -5.024
907 HB2 ALA 132 HB2 ALA 132 7.463 0.240 -5.248
908 HB3 ALA 132 HB3 ALA 132 6.339 0.697 -6.524
909 H GLU 133 H GLU 133 8.621 2.535 -3.721
910 HA GLU 133 HA GLU 133 9.951 3.357 -6.142
911 HB2 GLU 133 HB2 GLU 133 8.758 5.441 -5.382
912 HB3 GLU 133 HB3 GLU 133 9.735 5.394 -3.922
913 HG2 GLU 133 HG2 GLU 133 11.762 5.609 -5.260
914 HG3 GLU 133 HG3 GLU 133 10.792 5.633 -6.732
915 H LEU 134 H LEU 134 12.181 3.390 -5.956
916 HA LEU 134 HA LEU 134 13.277 2.363 -3.427
917 HB2 LEU 134 HB2 LEU 134 13.665 1.029 -5.476
918 HB3 LEU 134 HB3 LEU 134 14.459 2.399 -6.214
919 HG LEU 134 HG LEU 134 15.928 0.519 -5.323
920 HD11 LEU 134 HD11 LEU 134 17.664 2.051 -4.556
921 HD12 LEU 134 HD12 LEU 134 16.461 3.330 -4.387
922 HD13 LEU 134 HD13 LEU 134 16.830 2.673 -5.981
923 HD21 LEU 134 HD21 LEU 134 16.493 0.595 -2.957
924 HD22 LEU 134 HD22 LEU 134 14.791 0.194 -3.189
925 HD23 LEU 134 HD23 LEU 134 15.254 1.821 -2.690
926 H VAL 135 H VAL 135 14.565 3.602 -2.210
927 HA VAL 135 HA VAL 135 15.503 6.154 -3.360
928 HB VAL 135 HB VAL 135 15.436 7.027 -0.981
929 HG11 VAL 135 HG11 VAL 135 12.826 6.226 -2.272
930 HG12 VAL 135 HG12 VAL 135 13.776 7.665 -2.645
931 HG13 VAL 135 HG13 VAL 135 13.024 7.492 -1.059
932 HG21 VAL 135 HG21 VAL 135 15.313 4.924 0.210
933 HG22 VAL 135 HG22 VAL 135 13.787 4.527 -0.581
934 HG23 VAL 135 HG23 VAL 135 13.868 5.876 0.555
935 H THR 136 H THR 136 17.272 7.077 -1.768
936 HA THR 136 HA THR 136 19.252 6.919 -0.663
937 HB THR 136 HB THR 136 18.902 3.919 -0.630
938 HG1 THR 136 HG1 THR 136 18.481 5.326 1.699
939 HG21 THR 136 HG21 THR 136 20.481 4.020 1.249
940 HG22 THR 136 HG22 THR 136 20.625 5.764 1.030
941 HG23 THR 136 HG23 THR 136 21.199 4.668 -0.226
942 H ASN 137 H ASN 137 18.870 4.310 -3.084
943 HA ASN 137 HA ASN 137 21.553 4.440 -4.007
944 HB2 ASN 137 HB2 ASN 137 19.964 2.545 -4.471
945 HB3 ASN 137 HB3 ASN 137 19.115 3.595 -5.596
946 HD21 ASN 137 HD21 ASN 137 20.505 1.060 -6.039
947 HD22 ASN 137 HD22 ASN 137 21.694 1.374 -7.253
948 H ASP 138 H ASP 138 18.538 5.748 -5.309
949 HA ASP 138 HA ASP 138 19.838 7.449 -7.195
950 HB2 ASP 138 HB2 ASP 138 17.459 6.536 -7.335
951 HB3 ASP 138 HB3 ASP 138 17.025 7.737 -6.124
952 H ASN 139 H ASN 139 17.641 8.453 -4.612
953 HA ASN 139 HA ASN 139 19.694 10.041 -3.326
954 HB2 ASN 139 HB2 ASN 139 17.190 11.281 -4.489
955 HB3 ASN 139 HB3 ASN 139 18.111 12.032 -3.195
956 HD21 ASN 139 HD21 ASN 139 18.016 11.255 -6.566
957 HD22 ASN 139 HD22 ASN 139 19.388 12.204 -7.027
958 H LYS 140 H LYS 140 19.058 10.671 -1.163
959 HA LYS 140 HA LYS 140 16.737 9.132 -0.195
960 HB2 LYS 140 HB2 LYS 140 19.247 8.540 0.458
961 HB3 LYS 140 HB3 LYS 140 18.966 9.794 1.652
962 HG2 LYS 140 HG2 LYS 140 17.511 7.188 1.323
963 HG3 LYS 140 HG3 LYS 140 18.475 7.734 2.692
964 HD2 LYS 140 HD2 LYS 140 16.768 9.570 3.001
965 HD3 LYS 140 HD3 LYS 140 15.771 8.726 1.817
966 HE2 LYS 140 HE2 LYS 140 15.045 8.062 3.995
967 HE3 LYS 140 HE3 LYS 140 15.894 6.696 3.265
968 HZ1 LYS 140 HZ1 LYS 140 17.096 8.605 5.202
969 HZ2 LYS 140 HZ2 LYS 140 17.845 7.234 4.554
970 HZ3 LYS 140 HZ3 LYS 140 16.522 7.063 5.593
971 H GLN 141 H GLN 141 15.621 11.202 -0.716
972 HA GLN 141 HA GLN 141 15.875 13.053 1.559
973 HB2 GLN 141 HB2 GLN 141 15.019 13.691 -1.268
974 HB3 GLN 141 HB3 GLN 141 14.937 14.821 0.074
975 HG2 GLN 141 HG2 GLN 141 17.432 13.581 -1.065
976 HG3 GLN 141 HG3 GLN 141 16.882 15.235 -1.316
977 HE21 GLN 141 HE21 GLN 141 15.974 15.527 1.445
978 HE22 GLN 141 HE22 GLN 141 17.403 15.701 2.401
979 H ASN 142 H ASN 142 13.415 12.659 -0.978
980 HA ASN 142 HA ASN 142 11.734 11.225 0.872
981 HB2 ASN 142 HB2 ASN 142 9.769 12.792 0.335
982 HB3 ASN 142 HB3 ASN 142 10.949 13.340 1.516
983 HD21 ASN 142 HD21 ASN 142 12.300 15.048 1.020
984 HD22 ASN 142 HD22 ASN 142 12.018 16.090 -0.332
985 H ALA 143 H ALA 143 11.623 12.871 -2.298
986 HA ALA 143 HA ALA 143 10.812 10.296 -3.479
987 HB1 ALA 143 HB1 ALA 143 9.606 12.981 -4.124
988 HB2 ALA 143 HB2 ALA 143 8.817 11.690 -3.221
989 HB3 ALA 143 HB3 ALA 143 9.220 11.457 -4.922
990 H THR 144 H THR 144 11.937 9.785 -5.359
991 HA THR 144 HA THR 144 13.253 11.883 -6.823
992 HB THR 144 HB THR 144 14.688 11.675 -4.834
993 HG1 THR 144 HG1 THR 144 16.167 10.653 -7.026
994 HG21 THR 144 HG21 THR 144 14.378 9.311 -4.345
995 HG22 THR 144 HG22 THR 144 16.091 9.678 -4.544
996 HG23 THR 144 HG23 THR 144 15.205 8.877 -5.840
997 H ALA 145 H ALA 145 13.032 8.342 -6.292
998 HA ALA 145 HA ALA 145 14.123 7.955 -8.983
999 HB1 ALA 145 HB1 ALA 145 15.091 6.681 -7.121
1000 HB2 ALA 145 HB2 ALA 145 14.429 5.645 -8.385
1001 HB3 ALA 145 HB3 ALA 145 13.537 5.884 -6.882
1002 H VAL 146 H VAL 146 12.771 5.228 -8.968
1003 HA VAL 146 HA VAL 146 10.654 6.080 -10.727
1004 HB VAL 146 HB VAL 146 11.344 3.254 -9.946
1005 HG11 VAL 146 HG11 VAL 146 9.947 4.429 -12.340
1006 HG12 VAL 146 HG12 VAL 146 9.236 3.425 -11.074
1007 HG13 VAL 146 HG13 VAL 146 10.419 2.737 -12.186
1008 HG21 VAL 146 HG21 VAL 146 13.369 4.327 -10.697
1009 HG22 VAL 146 HG22 VAL 146 12.547 4.934 -12.137
1010 HG23 VAL 146 HG23 VAL 146 12.795 3.201 -11.927
1011 H ALA 147 H ALA 147 8.716 6.573 -9.956
1012 HA ALA 147 HA ALA 147 7.698 5.132 -7.628
1013 HB1 ALA 147 HB1 ALA 147 5.927 6.785 -7.553
1014 HB2 ALA 147 HB2 ALA 147 6.530 7.524 -9.038
1015 HB3 ALA 147 HB3 ALA 147 7.508 7.568 -7.570
1016 H LYS 148 H LYS 148 6.501 3.454 -7.907
1017 HA LYS 148 HA LYS 148 5.252 2.939 -10.504
1018 HB2 LYS 148 HB2 LYS 148 6.696 1.240 -9.188
1019 HB3 LYS 148 HB3 LYS 148 5.277 1.070 -8.164
1020 HG2 LYS 148 HG2 LYS 148 3.990 0.147 -9.851
1021 HG3 LYS 148 HG3 LYS 148 5.082 0.710 -11.119
1022 HD2 LYS 148 HD2 LYS 148 5.899 -1.297 -9.028
1023 HD3 LYS 148 HD3 LYS 148 5.204 -1.758 -10.582
1024 HE2 LYS 148 HE2 LYS 148 7.650 -0.012 -10.334
1025 HE3 LYS 148 HE3 LYS 148 7.735 -1.771 -10.443
1026 HZ1 LYS 148 HZ1 LYS 148 8.009 -0.612 -12.592
1027 HZ2 LYS 148 HZ2 LYS 148 6.423 -0.043 -12.466
1028 HZ3 LYS 148 HZ3 LYS 148 6.718 -1.703 -12.583
1029 H THR 149 H THR 149 3.027 2.210 -10.560
1030 HA THR 149 HA THR 149 1.422 3.164 -8.328
1031 HB THR 149 HB THR 149 -0.119 4.153 -10.112
1032 HG1 THR 149 HG1 THR 149 1.097 3.181 -11.879
1033 HG21 THR 149 HG21 THR 149 2.544 5.472 -9.620
1034 HG22 THR 149 HG22 THR 149 1.141 5.546 -8.554
1035 HG23 THR 149 HG23 THR 149 1.074 6.291 -10.151
1036 H ALA 150 H ALA 150 -0.307 1.953 -7.887
1037 HA ALA 150 HA ALA 150 -1.621 0.516 -10.051
1038 HB1 ALA 150 HB1 ALA 150 -0.813 -0.874 -7.495
1039 HB2 ALA 150 HB2 ALA 150 -0.098 -1.153 -9.083
1040 HB3 ALA 150 HB3 ALA 150 -1.790 -1.559 -8.792
1041 H THR 151 H THR 151 -3.640 0.921 -9.994
1042 HA THR 151 HA THR 151 -4.901 1.697 -7.453
1043 HB THR 151 HB THR 151 -5.477 2.860 -10.178
1044 HG1 THR 151 HG1 THR 151 -3.398 3.452 -9.230
1045 HG21 THR 151 HG21 THR 151 -6.825 4.491 -8.963
1046 HG22 THR 151 HG22 THR 151 -6.387 3.740 -7.431
1047 HG23 THR 151 HG23 THR 151 -7.386 2.861 -8.586
1048 H SER 152 H SER 152 -6.821 0.767 -7.045
1049 HA SER 152 HA SER 152 -7.981 -0.925 -9.145
1050 HB2 SER 152 HB2 SER 152 -7.041 -1.631 -6.408
1051 HB3 SER 152 HB3 SER 152 -8.399 -2.522 -7.078
1052 HG SER 152 HG SER 152 -6.572 -2.349 -8.976
1053 H THR 153 H THR 153 -10.133 -0.956 -9.285
1054 HA THR 153 HA THR 153 -11.609 0.879 -7.554
1055 HB THR 153 HB THR 153 -12.704 -0.490 -10.005
1056 HG1 THR 153 HG1 THR 153 -11.052 1.843 -9.810
1057 HG21 THR 153 HG21 THR 153 -13.990 1.636 -10.133
1058 HG22 THR 153 HG22 THR 153 -13.286 2.102 -8.585
1059 HG23 THR 153 HG23 THR 153 -14.327 0.681 -8.690
1060 H ILE 154 H ILE 154 -12.892 0.168 -6.008
1061 HA ILE 154 HA ILE 154 -13.650 -2.673 -5.998
1062 HB ILE 154 HB ILE 154 -13.181 -0.718 -3.764
1063 HG12 ILE 154 HG12 ILE 154 -11.873 -2.634 -2.845
1064 HG13 ILE 154 HG13 ILE 154 -12.267 -3.553 -4.290
1065 HG21 ILE 154 HG21 ILE 154 -15.361 -1.652 -3.279
1066 HG22 ILE 154 HG22 ILE 154 -14.159 -2.322 -2.176
1067 HG23 ILE 154 HG23 ILE 154 -14.744 -3.284 -3.533
1068 HD11 ILE 154 HD11 ILE 154 -10.038 -2.672 -4.455
1069 HD12 ILE 154 HD12 ILE 154 -10.630 -1.036 -4.158
1070 HD13 ILE 154 HD13 ILE 154 -11.080 -1.881 -5.640
1071 H THR 155 H THR 155 -15.760 -3.169 -6.308
1072 HA THR 155 HA THR 155 -17.566 -0.938 -6.693
1073 HB THR 155 HB THR 155 -18.167 -3.846 -7.181
1074 HG1 THR 155 HG1 THR 155 -17.381 -3.541 -9.255
1075 HG21 THR 155 HG21 THR 155 -20.127 -2.456 -7.184
1076 HG22 THR 155 HG22 THR 155 -19.737 -2.860 -8.856
1077 HG23 THR 155 HG23 THR 155 -19.333 -1.266 -8.214
1078 H VAL 156 H VAL 156 -18.451 -0.206 -4.914
1079 HA VAL 156 HA VAL 156 -19.688 -2.086 -3.025
1080 HB VAL 156 HB VAL 156 -18.050 -0.622 -1.981
1081 HG11 VAL 156 HG11 VAL 156 -19.649 1.646 -3.149
1082 HG12 VAL 156 HG12 VAL 156 -18.019 1.151 -3.613
1083 HG13 VAL 156 HG13 VAL 156 -18.313 1.817 -2.008
1084 HG21 VAL 156 HG21 VAL 156 -20.184 -1.132 -0.755
1085 HG22 VAL 156 HG22 VAL 156 -20.762 0.466 -1.242
1086 HG23 VAL 156 HG23 VAL 156 -19.335 0.321 -0.206
1087 H VAL 157 H VAL 157 -21.864 -2.115 -2.846
1088 HA VAL 157 HA VAL 157 -23.301 -0.044 -4.349
1089 HB VAL 157 HB VAL 157 -24.914 -1.833 -5.112
1090 HG11 VAL 157 HG11 VAL 157 -23.193 -0.842 -6.576
1091 HG12 VAL 157 HG12 VAL 157 -23.532 -2.524 -6.980
1092 HG13 VAL 157 HG13 VAL 157 -22.068 -2.112 -6.085
1093 HG21 VAL 157 HG21 VAL 157 -22.685 -3.671 -4.235
1094 HG22 VAL 157 HG22 VAL 157 -24.100 -4.140 -5.179
1095 HG23 VAL 157 HG23 VAL 157 -24.293 -3.578 -3.520