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 |
|
|
576131 |
2m8b   |
19237 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA PCA 1 HA PCA 1 3.753 -18.671 0.563
2 HB2 PCA 1 HB2 PCA 1 1.898 -18.169 1.749
3 HB3 PCA 1 HB3 PCA 1 2.493 -16.542 2.095
4 HG2 PCA 1 HG2 PCA 1 3.041 -17.241 4.196
5 H ARG 2 H ARG 2 2.395 -16.326 -0.047
6 HA ARG 2 HA ARG 2 4.355 -14.994 -1.657
7 HB2 ARG 2 HB3 ARG 2 2.498 -13.771 -2.585
8 HB3 ARG 2 HB2 ARG 2 2.015 -15.449 -2.392
9 HG2 ARG 2 HG3 ARG 2 0.755 -14.907 -0.410
10 HG3 ARG 2 HG2 ARG 2 1.321 -13.238 -0.470
11 HD2 ARG 2 HD3 ARG 2 0.233 -13.030 -2.704
12 HD3 ARG 2 HD2 ARG 2 -0.457 -14.634 -2.457
13 HE ARG 2 HE ARG 2 -1.054 -12.919 -0.272
14 HH11 ARG 2 HH11 ARG 2 -1.983 -13.658 -3.561
15 HH12 ARG 2 HH12 ARG 2 -3.580 -13.000 -3.398
16 HH21 ARG 2 HH22 ARG 2 -3.148 -12.017 -0.054
17 HH22 ARG 2 HH21 ARG 2 -4.244 -12.075 -1.406
18 H LEU 3 H LEU 3 3.687 -12.402 -1.772
19 HA LEU 3 HA LEU 3 4.898 -11.049 0.309
20 HB2 LEU 3 HB3 LEU 3 2.743 -10.177 -1.611
21 HB3 LEU 3 HB2 LEU 3 3.495 -9.075 -0.478
22 HG LEU 3 HG LEU 3 5.205 -10.612 -2.401
23 HD11 LEU 3 HD11 LEU 3 4.973 -8.831 -4.031
24 HD12 LEU 3 HD12 LEU 3 3.788 -8.019 -3.009
25 HD13 LEU 3 HD13 LEU 3 3.405 -9.582 -3.732
26 HD21 LEU 3 HD21 LEU 3 5.433 -7.863 -1.177
27 HD22 LEU 3 HD22 LEU 3 6.651 -8.680 -2.157
28 HD23 LEU 3 HD23 LEU 3 6.227 -9.314 -0.569
29 H CYS 4 H CYS 4 4.271 -10.359 2.298
30 HA CYS 4 HA CYS 4 1.614 -11.145 3.194
31 HB2 CYS 4 HB3 CYS 4 4.140 -10.373 4.603
32 HB3 CYS 4 HB2 CYS 4 2.603 -10.179 5.440
33 H GLU 5 H GLU 5 0.028 -9.826 3.011
34 HA GLU 5 HA GLU 5 0.439 -7.127 2.172
35 HB2 GLU 5 HB2 GLU 5 -2.233 -8.249 2.945
36 HB3 GLU 5 HB3 GLU 5 -1.844 -7.063 1.709
37 HG2 GLU 5 HG2 GLU 5 -2.289 -8.833 0.390
38 HG3 GLU 5 HG3 GLU 5 -0.568 -9.091 0.645
39 H LYS 6 H LYS 6 -0.386 -5.268 3.147
40 HA LYS 6 HA LYS 6 -1.112 -5.423 5.977
41 HB2 LYS 6 HB3 LYS 6 1.382 -5.046 5.708
42 HB3 LYS 6 HB2 LYS 6 0.990 -3.534 4.912
43 HG2 LYS 6 HG3 LYS 6 -0.117 -2.749 6.941
44 HG3 LYS 6 HG2 LYS 6 0.299 -4.266 7.743
45 HD2 LYS 6 HD3 LYS 6 2.686 -3.782 7.348
46 HD3 LYS 6 HD2 LYS 6 2.233 -2.235 6.634
47 HE2 LYS 6 HE3 LYS 6 2.917 -1.927 8.938
48 HE3 LYS 6 HE2 LYS 6 1.202 -1.571 8.758
49 HZ1 LYS 6 HZ1 LYS 6 2.333 -4.104 9.814
50 HZ2 LYS 6 HZ2 LYS 6 0.688 -3.754 9.650
51 HZ3 LYS 6 HZ3 LYS 6 1.634 -2.876 10.739
52 HA PRO 7 HA PRO 7 -4.194 -2.696 4.283
53 HB2 PRO 7 HB3 PRO 7 -5.068 -1.678 6.699
54 HB3 PRO 7 HB2 PRO 7 -5.631 -3.190 5.984
55 HG2 PRO 7 HG3 PRO 7 -3.580 -2.747 8.109
56 HG3 PRO 7 HG2 PRO 7 -4.804 -4.023 7.978
57 HD2 PRO 7 HD3 PRO 7 -2.221 -4.466 7.379
58 HD3 PRO 7 HD2 PRO 7 -3.537 -5.256 6.484
59 H SER 8 H SER 8 -3.813 -0.792 3.396
60 HA SER 8 HA SER 8 -1.619 0.794 3.878
61 HB2 SER 8 HB2 SER 8 -4.279 1.506 2.643
62 HB3 SER 8 HB3 SER 8 -2.840 2.507 2.510
63 HG SER 8 HG SER 8 -1.833 0.902 1.354
64 H GLY 9 H GLY 9 -1.087 1.891 5.621
65 HA2 GLY 9 HA2 GLY 9 -3.165 2.878 7.422
66 HA3 GLY 9 HA3 GLY 9 -1.442 2.803 7.761
67 H THR 10 H THR 10 -1.698 4.023 4.751
68 HA THR 10 HA THR 10 -1.557 6.792 5.745
69 HB THR 10 HB THR 10 -0.437 7.237 3.510
70 HG1 THR 10 HG1 THR 10 -0.108 4.391 3.473
71 HG21 THR 10 HG21 THR 10 0.852 7.082 5.571
72 HG22 THR 10 HG22 THR 10 1.740 6.355 4.231
73 HG23 THR 10 HG23 THR 10 0.926 5.327 5.409
74 H TRP 11 H TRP 11 -3.517 4.633 4.286
75 HA TRP 11 HA TRP 11 -4.883 6.597 2.592
76 HB2 TRP 11 HB3 TRP 11 -4.120 4.238 1.819
77 HB3 TRP 11 HB2 TRP 11 -5.495 3.662 2.732
78 HD1 TRP 11 HD1 TRP 11 -7.940 4.287 1.740
79 HE1 TRP 11 HE1 TRP 11 -8.696 4.936 -0.629
80 HE3 TRP 11 HE3 TRP 11 -3.376 5.422 -0.279
81 HZ2 TRP 11 HZ2 TRP 11 -7.513 5.795 -3.038
82 HZ3 TRP 11 HZ3 TRP 11 -3.279 6.127 -2.631
83 HH2 TRP 11 HH2 TRP 11 -5.298 6.316 -3.983
84 H SER 12 H SER 12 -7.333 6.263 2.658
85 HA SER 12 HA SER 12 -8.461 5.473 5.183
86 HB2 SER 12 HB2 SER 12 -8.280 8.428 4.528
87 HB3 SER 12 HB3 SER 12 -9.267 7.742 5.818
88 HG SER 12 HG SER 12 -6.681 6.881 5.930
89 H GLY 13 H GLY 13 -10.693 5.340 5.139
90 HA2 GLY 13 HA2 GLY 13 -12.833 5.456 4.305
91 HA3 GLY 13 HA3 GLY 13 -12.275 6.681 3.176
92 H VAL 14 H VAL 14 -13.529 5.767 1.529
93 HA VAL 14 HA VAL 14 -13.197 3.099 0.642
94 HB VAL 14 HB VAL 14 -15.194 4.559 0.236
95 HG11 VAL 14 HG21 VAL 14 -14.082 6.608 -0.370
96 HG12 VAL 14 HG22 VAL 14 -15.117 6.083 -1.696
97 HG13 VAL 14 HG23 VAL 14 -13.375 5.838 -1.789
98 HG21 VAL 14 HG13 VAL 14 -15.625 3.719 -2.019
99 HG22 VAL 14 HG11 VAL 14 -14.896 2.492 -0.984
100 HG23 VAL 14 HG12 VAL 14 -13.916 3.324 -2.190
101 H CYS 15 H CYS 15 -12.212 2.426 -1.350
102 HA CYS 15 HA CYS 15 -10.084 4.214 -2.303
103 HB2 CYS 15 HB3 CYS 15 -8.930 2.542 -1.133
104 HB3 CYS 15 HB2 CYS 15 -10.006 1.270 -1.694
105 H GLY 16 H GLY 16 -9.757 4.325 -4.503
106 HA2 GLY 16 HA2 GLY 16 -11.597 2.770 -6.201
107 HA3 GLY 16 HA3 GLY 16 -11.607 4.526 -6.272
108 H ASN 17 H ASN 17 -8.632 2.754 -5.835
109 HA ASN 17 HA ASN 17 -7.874 2.839 -8.597
110 HB2 ASN 17 HB3 ASN 17 -6.112 4.570 -8.333
111 HB3 ASN 17 HB2 ASN 17 -7.734 5.228 -8.148
112 HD21 ASN 17 HD21 ASN 17 -8.462 5.832 -6.092
113 HD22 ASN 17 HD22 ASN 17 -7.339 6.152 -4.810
114 H ASN 18 H ASN 18 -5.897 1.820 -8.975
115 HA ASN 18 HA ASN 18 -4.879 0.356 -6.641
116 HB2 ASN 18 HB3 ASN 18 -4.838 -0.270 -9.593
117 HB3 ASN 18 HB2 ASN 18 -3.880 -1.170 -8.424
118 HD21 ASN 18 HD21 ASN 18 -7.081 -0.448 -9.559
119 HD22 ASN 18 HD22 ASN 18 -7.884 -1.733 -8.725
120 H GLY 19 H GLY 19 -3.923 2.504 -9.220
121 HA2 GLY 19 HA2 GLY 19 -1.123 1.996 -8.921
122 HA3 GLY 19 HA3 GLY 19 -1.850 3.237 -9.901
123 H ALA 20 H ALA 20 -3.135 4.835 -8.234
124 HA ALA 20 HA ALA 20 -1.156 6.330 -6.924
125 HB1 ALA 20 HB1 ALA 20 -3.263 7.323 -7.633
126 HB2 ALA 20 HB2 ALA 20 -3.024 7.569 -5.901
127 HB3 ALA 20 HB3 ALA 20 -4.144 6.330 -6.473
128 H CYS 21 H CYS 21 -3.461 3.945 -5.749
129 HA CYS 21 HA CYS 21 -2.748 3.881 -3.061
130 HB2 CYS 21 HB3 CYS 21 -4.141 2.151 -4.939
131 HB3 CYS 21 HB2 CYS 21 -3.233 1.237 -3.742
132 H ARG 22 H ARG 22 -1.390 2.052 -5.822
133 HA ARG 22 HA ARG 22 0.453 0.552 -4.307
134 HB2 ARG 22 HB3 ARG 22 -0.166 0.040 -6.656
135 HB3 ARG 22 HB2 ARG 22 0.697 1.478 -7.182
136 HG2 ARG 22 HG3 ARG 22 2.794 0.538 -6.404
137 HG3 ARG 22 HG2 ARG 22 1.946 -0.885 -5.794
138 HD2 ARG 22 HD3 ARG 22 2.952 -1.405 -7.919
139 HD3 ARG 22 HD2 ARG 22 1.201 -1.384 -8.089
140 HE ARG 22 HE ARG 22 2.426 1.122 -8.752
141 HH11 ARG 22 HH11 ARG 22 1.628 -2.060 -9.978
142 HH12 ARG 22 HH12 ARG 22 1.591 -1.552 -11.634
143 HH21 ARG 22 HH22 ARG 22 2.394 1.783 -10.945
144 HH22 ARG 22 HH21 ARG 22 2.023 0.627 -12.183
145 H ASN 23 H ASN 23 0.837 3.499 -6.176
146 HA ASN 23 HA ASN 23 3.494 4.062 -5.718
147 HB2 ASN 23 HB3 ASN 23 2.177 5.270 -7.334
148 HB3 ASN 23 HB2 ASN 23 1.115 5.886 -6.091
149 HD21 ASN 23 HD21 ASN 23 1.580 7.744 -5.133
150 HD22 ASN 23 HD22 ASN 23 2.997 8.676 -5.445
151 H GLN 24 H GLN 24 0.692 5.050 -3.807
152 HA GLN 24 HA GLN 24 2.066 6.639 -1.946
153 HB2 GLN 24 HB2 GLN 24 -0.492 6.337 -2.304
154 HB3 GLN 24 HB3 GLN 24 -0.337 5.024 -1.149
155 HG2 GLN 24 HG3 GLN 24 0.536 6.531 0.511
156 HG3 GLN 24 HG2 GLN 24 0.515 7.863 -0.643
157 HE21 GLN 24 HE21 GLN 24 -1.340 5.849 1.446
158 HE22 GLN 24 HE22 GLN 24 -2.820 6.737 1.325
159 H CYS 25 H CYS 25 1.100 3.231 -1.747
160 HA CYS 25 HA CYS 25 2.304 2.581 0.681
161 HB2 CYS 25 HB3 CYS 25 1.936 0.895 -1.806
162 HB3 CYS 25 HB2 CYS 25 2.447 0.256 -0.252
163 H ILE 26 H ILE 26 3.743 2.722 -2.577
164 HA ILE 26 HA ILE 26 6.218 1.561 -2.052
165 HB ILE 26 HB ILE 26 5.894 3.981 -3.823
166 HG12 ILE 26 HG13 ILE 26 4.125 2.492 -4.478
167 HG13 ILE 26 HG12 ILE 26 5.408 2.400 -5.678
168 HG21 ILE 26 HG21 ILE 26 7.676 2.917 -5.130
169 HG22 ILE 26 HG22 ILE 26 7.748 1.613 -3.945
170 HG23 ILE 26 HG23 ILE 26 8.171 3.258 -3.471
171 HD11 ILE 26 HD11 ILE 26 4.891 0.420 -3.488
172 HD12 ILE 26 HD12 ILE 26 6.171 0.315 -4.697
173 HD13 ILE 26 HD13 ILE 26 4.479 0.227 -5.191
174 H ARG 27 H ARG 27 5.439 5.011 -2.083
175 HA ARG 27 HA ARG 27 8.044 5.666 -1.136
176 HB2 ARG 27 HB3 ARG 27 7.169 8.020 -1.271
177 HB3 ARG 27 HB2 ARG 27 7.229 7.107 -2.771
178 HG2 ARG 27 HG3 ARG 27 4.884 6.609 -2.568
179 HG3 ARG 27 HG2 ARG 27 4.807 7.504 -1.055
180 HD2 ARG 27 HD3 ARG 27 5.501 8.642 -3.762
181 HD3 ARG 27 HD2 ARG 27 3.974 8.860 -2.910
182 HE ARG 27 HE ARG 27 6.293 9.719 -1.426
183 HH11 ARG 27 HH11 ARG 27 3.826 10.673 -3.725
184 HH12 ARG 27 HH12 ARG 27 3.980 12.362 -3.369
185 HH21 ARG 27 HH22 ARG 27 6.496 11.928 -0.962
186 HH22 ARG 27 HH21 ARG 27 5.495 13.082 -1.790
187 H LEU 28 H LEU 28 4.791 5.795 0.267
188 HA LEU 28 HA LEU 28 5.823 7.256 2.555
189 HB2 LEU 28 HB3 LEU 28 3.027 6.252 2.024
190 HB3 LEU 28 HB2 LEU 28 3.502 7.321 3.328
191 HG LEU 28 HG LEU 28 3.460 7.943 0.378
192 HD11 LEU 28 HD11 LEU 28 1.312 8.070 1.540
193 HD12 LEU 28 HD12 LEU 28 1.876 9.661 1.029
194 HD13 LEU 28 HD13 LEU 28 2.019 9.176 2.719
195 HD21 LEU 28 HD21 LEU 28 5.475 8.912 1.337
196 HD22 LEU 28 HD22 LEU 28 4.526 9.633 2.635
197 HD23 LEU 28 HD23 LEU 28 4.292 10.167 0.973
198 H GLU 29 H GLU 29 4.459 4.059 1.885
199 HA GLU 29 HA GLU 29 4.982 3.342 4.671
200 HB2 GLU 29 HB2 GLU 29 3.262 1.976 2.600
201 HB3 GLU 29 HB3 GLU 29 3.492 1.402 4.239
202 HG2 GLU 29 HG2 GLU 29 2.686 3.729 4.957
203 HG3 GLU 29 HG3 GLU 29 2.100 3.871 3.304
204 H LYS 30 H LYS 30 6.525 3.269 1.873
205 HA LYS 30 HA LYS 30 8.414 2.266 1.126
206 HB2 LYS 30 HB3 LYS 30 8.497 1.186 3.946
207 HB3 LYS 30 HB2 LYS 30 9.815 1.056 2.789
208 HG2 LYS 30 HG3 LYS 30 10.031 3.455 2.701
209 HG3 LYS 30 HG2 LYS 30 8.635 3.647 3.763
210 HD2 LYS 30 HD3 LYS 30 9.818 2.547 5.568
211 HD3 LYS 30 HD2 LYS 30 11.194 2.236 4.508
212 HE2 LYS 30 HE3 LYS 30 10.165 4.966 5.268
213 HE3 LYS 30 HE2 LYS 30 11.551 4.166 6.004
214 HZ1 LYS 30 HZ1 LYS 30 12.216 5.746 4.297
215 HZ2 LYS 30 HZ2 LYS 30 11.315 4.909 3.140
216 HZ3 LYS 30 HZ3 LYS 30 12.655 4.171 3.863
217 H ALA 31 H ALA 31 5.827 0.904 0.873
218 HA ALA 31 HA ALA 31 6.402 -1.925 1.051
219 HB1 ALA 31 HB1 ALA 31 4.180 -2.263 0.259
220 HB2 ALA 31 HB2 ALA 31 4.074 -0.601 -0.315
221 HB3 ALA 31 HB3 ALA 31 4.123 -0.930 1.418
222 H ARG 32 H ARG 32 6.512 -3.332 -0.738
223 HA ARG 32 HA ARG 32 7.929 -2.167 -2.964
224 HB2 ARG 32 HB3 ARG 32 7.279 -5.053 -2.366
225 HB3 ARG 32 HB2 ARG 32 8.439 -4.465 -3.543
226 HG2 ARG 32 HG3 ARG 32 8.607 -4.135 -0.561
227 HG3 ARG 32 HG2 ARG 32 9.575 -5.223 -1.551
228 HD2 ARG 32 HD3 ARG 32 9.578 -2.210 -1.659
229 HD3 ARG 32 HD2 ARG 32 10.846 -3.232 -0.988
230 HE ARG 32 HE ARG 32 10.617 -4.092 -3.551
231 HH11 ARG 32 HH11 ARG 32 11.156 -0.960 -2.073
232 HH12 ARG 32 HH12 ARG 32 12.067 -0.340 -3.413
233 HH21 ARG 32 HH22 ARG 32 11.802 -3.284 -5.318
234 HH22 ARG 32 HH21 ARG 32 12.439 -1.671 -5.265
235 H HIS 33 H HIS 33 4.836 -3.634 -2.312
236 HA HIS 33 HA HIS 33 3.946 -2.777 -4.956
237 HB2 HIS 33 HB3 HIS 33 4.501 -5.176 -5.195
238 HB3 HIS 33 HB2 HIS 33 3.422 -5.559 -3.861
239 HD1 HIS 33 HD1 HIS 33 3.179 -3.924 -7.304
240 HD2 HIS 33 HD2 HIS 33 0.942 -6.259 -4.686
241 HE1 HIS 33 HE1 HIS 33 1.024 -4.415 -8.500
242 HE2 HIS 33 HE2 HIS 33 -0.204 -6.017 -6.992
243 H GLY 34 H GLY 34 1.564 -2.605 -5.075
244 HA2 GLY 34 HA2 GLY 34 0.036 -2.870 -2.645
245 HA3 GLY 34 HA3 GLY 34 0.349 -1.202 -3.101
246 H SER 35 H SER 35 -2.230 -2.482 -2.980
247 HA SER 35 HA SER 35 -3.175 -1.738 -5.588
248 HB2 SER 35 HB2 SER 35 -4.309 -3.945 -6.002
249 HB3 SER 35 HB3 SER 35 -2.552 -3.995 -6.145
250 HG SER 35 HG SER 35 -3.858 -5.636 -4.779
251 H CYS 36 H CYS 36 -5.600 -2.141 -5.717
252 HA CYS 36 HA CYS 36 -6.757 -1.392 -3.126
253 HB2 CYS 36 HB3 CYS 36 -6.919 0.164 -5.108
254 HB3 CYS 36 HB2 CYS 36 -7.943 -1.038 -5.883
255 H ASN 37 H ASN 37 -6.794 -3.625 -2.492
256 HA ASN 37 HA ASN 37 -8.028 -5.622 -4.100
257 HB2 ASN 37 HB3 ASN 37 -6.984 -7.001 -2.674
258 HB3 ASN 37 HB2 ASN 37 -6.365 -5.574 -1.844
259 HD21 ASN 37 HD21 ASN 37 -7.436 -4.823 -0.028
260 HD22 ASN 37 HD22 ASN 37 -8.384 -5.885 0.933
261 H TYR 38 H TYR 38 -9.951 -6.820 -3.589
262 HA TYR 38 HA TYR 38 -11.990 -5.029 -2.496
263 HB2 TYR 38 HB2 TYR 38 -12.304 -5.803 -4.828
264 HB3 TYR 38 HB3 TYR 38 -12.372 -7.464 -4.246
265 HD1 TYR 38 HD2 TYR 38 -13.968 -4.183 -3.464
266 HD2 TYR 38 HD1 TYR 38 -14.492 -8.366 -3.998
267 HE1 TYR 38 HE2 TYR 38 -16.374 -3.924 -3.062
268 HE2 TYR 38 HE1 TYR 38 -16.906 -8.121 -3.600
269 HH TYR 38 HH TYR 38 -18.425 -5.004 -3.427
270 H VAL 39 H VAL 39 -11.481 -5.561 -0.308
271 HA VAL 39 HA VAL 39 -12.261 -8.164 0.625
272 HB VAL 39 HB VAL 39 -12.211 -6.916 2.897
273 HG11 VAL 39 HG21 VAL 39 -9.718 -7.266 1.243
274 HG12 VAL 39 HG22 VAL 39 -10.516 -8.504 2.213
275 HG13 VAL 39 HG23 VAL 39 -9.759 -7.120 3.002
276 HG21 VAL 39 HG13 VAL 39 -10.712 -4.930 1.198
277 HG22 VAL 39 HG11 VAL 39 -10.847 -4.907 2.956
278 HG23 VAL 39 HG12 VAL 39 -12.278 -4.648 1.958
279 H PHE 40 H PHE 40 -14.302 -8.607 0.176
280 HA PHE 40 HA PHE 40 -16.388 -6.962 -0.357
281 HB2 PHE 40 HB2 PHE 40 -16.358 -9.422 -0.682
282 HB3 PHE 40 HB3 PHE 40 -16.589 -9.627 1.045
283 HD1 PHE 40 HD1 PHE 40 -18.165 -8.170 -1.973
284 HD2 PHE 40 HD2 PHE 40 -18.723 -9.719 1.948
285 HE1 PHE 40 HE1 PHE 40 -20.601 -8.114 -2.302
286 HE2 PHE 40 HE2 PHE 40 -21.159 -9.665 1.626
287 HZ PHE 40 HZ PHE 40 -22.101 -8.863 -0.500
288 HA PRO 41 HA PRO 41 -18.087 -6.307 -0.380
289 HB2 PRO 41 HB3 PRO 41 -20.010 -4.570 0.101
290 HB3 PRO 41 HB2 PRO 41 -20.132 -6.210 0.750
291 HG2 PRO 41 HG3 PRO 41 -19.416 -3.671 2.143
292 HG3 PRO 41 HG2 PRO 41 -20.343 -5.056 2.746
293 HD2 PRO 41 HD3 PRO 41 -17.577 -4.533 3.149
294 HD3 PRO 41 HD2 PRO 41 -18.461 -6.010 3.581
295 H ALA 42 H ALA 42 -15.693 -4.689 0.686
296 HA ALA 42 HA ALA 42 -16.193 -2.274 -0.916
297 HB1 ALA 42 HB1 ALA 42 -16.586 -1.702 1.433
298 HB2 ALA 42 HB2 ALA 42 -15.196 -0.844 0.768
299 HB3 ALA 42 HB3 ALA 42 -14.951 -2.231 1.827
300 H HIS 43 H HIS 43 -14.390 -1.297 -1.848
301 HA HIS 43 HA HIS 43 -12.009 -2.933 -2.093
302 HB2 HIS 43 HB3 HIS 43 -12.987 -0.425 -3.405
303 HB3 HIS 43 HB2 HIS 43 -11.272 -0.800 -3.458
304 HD1 HIS 43 HD1 HIS 43 -10.545 -2.853 -4.875
305 HD2 HIS 43 HD2 HIS 43 -14.611 -1.985 -5.034
306 HE1 HIS 43 HE1 HIS 43 -11.444 -4.176 -6.810
307 HE2 HIS 43 HE2 HIS 43 -13.854 -3.475 -7.007
308 H LYS 44 H LYS 44 -10.257 -2.724 -0.875
309 HA LYS 44 HA LYS 44 -9.867 -0.186 0.553
310 HB2 LYS 44 HB3 LYS 44 -9.660 -2.991 1.611
311 HB3 LYS 44 HB2 LYS 44 -8.792 -1.663 2.370
312 HG2 LYS 44 HG3 LYS 44 -11.759 -1.702 1.934
313 HG3 LYS 44 HG2 LYS 44 -10.973 -2.199 3.433
314 HD2 LYS 44 HD3 LYS 44 -9.976 0.056 3.602
315 HD3 LYS 44 HD2 LYS 44 -10.854 0.531 2.148
316 HE2 LYS 44 HE3 LYS 44 -12.972 0.016 3.304
317 HE3 LYS 44 HE2 LYS 44 -12.058 -0.357 4.764
318 HZ1 LYS 44 HZ1 LYS 44 -12.082 2.276 3.388
319 HZ2 LYS 44 HZ2 LYS 44 -11.260 1.908 4.820
320 HZ3 LYS 44 HZ3 LYS 44 -12.950 1.896 4.790
321 H CYS 45 H CYS 45 -7.775 0.434 0.922
322 HA CYS 45 HA CYS 45 -5.986 -0.379 -1.182
323 HB2 CYS 45 HB3 CYS 45 -6.422 2.006 -0.283
324 HB3 CYS 45 HB2 CYS 45 -5.347 1.557 1.033
325 H ILE 46 H ILE 46 -4.412 -1.836 -0.989
326 HA ILE 46 HA ILE 46 -3.576 -2.646 1.714
327 HB ILE 46 HB ILE 46 -4.270 -4.476 -0.596
328 HG12 ILE 46 HG13 ILE 46 -6.176 -3.642 0.707
329 HG13 ILE 46 HG12 ILE 46 -5.951 -5.379 0.871
330 HG21 ILE 46 HG21 ILE 46 -2.269 -5.297 0.514
331 HG22 ILE 46 HG22 ILE 46 -3.651 -6.327 0.888
332 HG23 ILE 46 HG23 ILE 46 -3.069 -5.164 2.082
333 HD11 ILE 46 HD11 ILE 46 -6.516 -4.525 2.985
334 HD12 ILE 46 HD12 ILE 46 -5.316 -3.241 2.867
335 HD13 ILE 46 HD13 ILE 46 -4.798 -4.919 3.036
336 H CYS 47 H CYS 47 -1.477 -2.340 1.953
337 HA CYS 47 HA CYS 47 0.279 -2.212 -0.360
338 HB2 CYS 47 HB3 CYS 47 1.024 -1.916 2.561
339 HB3 CYS 47 HB2 CYS 47 1.963 -1.409 1.165
340 H TYR 48 H TYR 48 2.004 -3.628 -0.712
341 HA TYR 48 HA TYR 48 1.820 -6.164 0.772
342 HB2 TYR 48 HB2 TYR 48 2.686 -5.581 -2.056
343 HB3 TYR 48 HB3 TYR 48 2.919 -7.141 -1.281
344 HD1 TYR 48 HD1 TYR 48 0.389 -4.742 -2.470
345 HD2 TYR 48 HD2 TYR 48 1.113 -8.683 -1.070
346 HE1 TYR 48 HE1 TYR 48 -1.868 -5.391 -3.170
347 HE2 TYR 48 HE2 TYR 48 -1.136 -9.358 -1.777
348 HH TYR 48 HH TYR 48 -3.316 -8.327 -2.221
349 H PHE 49 H PHE 49 3.490 -6.810 1.920
350 HA PHE 49 HA PHE 49 6.101 -5.540 1.445
351 HB2 PHE 49 HB2 PHE 49 4.855 -6.394 4.064
352 HB3 PHE 49 HB3 PHE 49 6.520 -5.862 3.890
353 HD1 PHE 49 HD1 PHE 49 2.997 -4.788 3.735
354 HD2 PHE 49 HD2 PHE 49 7.072 -3.567 3.663
355 HE1 PHE 49 HE1 PHE 49 2.299 -2.455 4.022
356 HE2 PHE 49 HE2 PHE 49 6.375 -1.227 3.953
357 HZ PHE 49 HZ PHE 49 3.981 -0.668 4.127
358 HA PRO 50 HA PRO 50 7.723 -9.554 0.540
359 HB2 PRO 50 HB3 PRO 50 10.101 -8.531 2.009
360 HB3 PRO 50 HB2 PRO 50 9.994 -9.264 0.403
361 HG2 PRO 50 HG3 PRO 50 10.316 -6.646 0.639
362 HG3 PRO 50 HG2 PRO 50 9.211 -7.300 -0.580
363 HD2 PRO 50 HD3 PRO 50 8.582 -6.052 2.072
364 HD3 PRO 50 HD2 PRO 50 7.745 -5.878 0.516
365 H CYS 51 H CYS 51 7.089 -11.249 1.627
366 HA CYS 51 HA CYS 51 7.254 -11.222 4.548
367 HB2 CYS 51 HB3 CYS 51 5.080 -11.638 3.220
368 HB3 CYS 51 HB2 CYS 51 5.747 -13.234 2.900
Start of MODEL 2
1 HA PCA 1 HA PCA 1 4.999 -17.581 -0.091
2 HB2 PCA 1 HB2 PCA 1 6.870 -17.736 1.169
3 HB3 PCA 1 HB3 PCA 1 7.848 -16.970 -0.089
4 HG2 PCA 1 HG2 PCA 1 8.661 -19.040 -0.611
5 H ARG 2 H ARG 2 3.919 -16.026 -1.307
6 HA ARG 2 HA ARG 2 5.476 -14.127 -2.871
7 HB2 ARG 2 HB3 ARG 2 3.353 -13.175 -3.529
8 HB3 ARG 2 HB2 ARG 2 3.278 -14.922 -3.706
9 HG2 ARG 2 HG3 ARG 2 1.854 -15.171 -1.885
10 HG3 ARG 2 HG2 ARG 2 2.270 -13.590 -1.222
11 HD2 ARG 2 HD3 ARG 2 1.173 -12.544 -3.192
12 HD3 ARG 2 HD2 ARG 2 0.647 -14.147 -3.703
13 HE ARG 2 HE ARG 2 -0.258 -13.925 -1.140
14 HH11 ARG 2 HH11 ARG 2 -0.611 -11.944 -4.009
15 HH12 ARG 2 HH12 ARG 2 -2.204 -11.398 -3.586
16 HH21 ARG 2 HH22 ARG 2 -2.330 -13.172 -0.564
17 HH22 ARG 2 HH21 ARG 2 -3.168 -12.074 -1.615
18 H LEU 3 H LEU 3 4.064 -11.839 -2.458
19 HA LEU 3 HA LEU 3 5.144 -10.739 -0.088
20 HB2 LEU 3 HB3 LEU 3 3.002 -9.733 -1.957
21 HB3 LEU 3 HB2 LEU 3 3.746 -8.779 -0.692
22 HG LEU 3 HG LEU 3 5.413 -10.017 -2.866
23 HD11 LEU 3 HD11 LEU 3 3.649 -8.720 -3.965
24 HD12 LEU 3 HD12 LEU 3 5.225 -7.947 -4.129
25 HD13 LEU 3 HD13 LEU 3 4.056 -7.327 -2.965
26 HD21 LEU 3 HD21 LEU 3 6.567 -9.136 -0.905
27 HD22 LEU 3 HD22 LEU 3 5.760 -7.581 -1.122
28 HD23 LEU 3 HD23 LEU 3 6.906 -8.158 -2.332
29 H CYS 4 H CYS 4 4.042 -9.928 1.756
30 HA CYS 4 HA CYS 4 1.460 -11.209 2.324
31 HB2 CYS 4 HB3 CYS 4 3.678 -10.191 4.072
32 HB3 CYS 4 HB2 CYS 4 2.045 -10.317 4.715
33 H GLU 5 H GLU 5 -0.324 -10.003 2.416
34 HA GLU 5 HA GLU 5 -0.082 -7.241 1.676
35 HB2 GLU 5 HB2 GLU 5 -2.719 -8.342 2.465
36 HB3 GLU 5 HB3 GLU 5 -2.279 -7.290 1.135
37 HG2 GLU 5 HG2 GLU 5 -2.873 -9.169 0.029
38 HG3 GLU 5 HG3 GLU 5 -1.133 -9.398 0.184
39 H LYS 6 H LYS 6 -0.537 -5.483 2.800
40 HA LYS 6 HA LYS 6 -1.381 -5.707 5.607
41 HB2 LYS 6 HB3 LYS 6 1.118 -4.672 4.497
42 HB3 LYS 6 HB2 LYS 6 0.323 -3.529 5.547
43 HG2 LYS 6 HG3 LYS 6 1.867 -4.747 6.866
44 HG3 LYS 6 HG2 LYS 6 0.254 -5.303 7.306
45 HD2 LYS 6 HD3 LYS 6 0.550 -7.268 5.869
46 HD3 LYS 6 HD2 LYS 6 2.169 -6.708 5.444
47 HE2 LYS 6 HE3 LYS 6 2.848 -6.865 7.781
48 HE3 LYS 6 HE2 LYS 6 1.226 -7.386 8.227
49 HZ1 LYS 6 HZ1 LYS 6 3.096 -8.855 6.453
50 HZ2 LYS 6 HZ2 LYS 6 1.527 -9.350 6.845
51 HZ3 LYS 6 HZ3 LYS 6 2.710 -9.265 8.047
52 HA PRO 7 HA PRO 7 -4.270 -2.669 4.046
53 HB2 PRO 7 HB3 PRO 7 -5.149 -1.777 6.499
54 HB3 PRO 7 HB2 PRO 7 -5.761 -3.223 5.695
55 HG2 PRO 7 HG3 PRO 7 -3.731 -2.980 7.870
56 HG3 PRO 7 HG2 PRO 7 -5.015 -4.185 7.663
57 HD2 PRO 7 HD3 PRO 7 -2.438 -4.716 7.069
58 HD3 PRO 7 HD2 PRO 7 -3.782 -5.419 6.147
59 H SER 8 H SER 8 -3.843 -0.646 3.403
60 HA SER 8 HA SER 8 -1.497 0.675 4.078
61 HB2 SER 8 HB2 SER 8 -2.661 1.118 1.989
62 HB3 SER 8 HB3 SER 8 -4.025 1.811 2.865
63 HG SER 8 HG SER 8 -1.360 2.818 2.938
64 H GLY 9 H GLY 9 -0.896 2.007 5.621
65 HA2 GLY 9 HA2 GLY 9 -2.918 2.877 7.574
66 HA3 GLY 9 HA3 GLY 9 -1.183 2.792 7.858
67 H THR 10 H THR 10 -1.854 4.037 4.824
68 HA THR 10 HA THR 10 -1.545 6.789 5.837
69 HB THR 10 HB THR 10 -0.445 7.265 3.611
70 HG1 THR 10 HG1 THR 10 -0.112 4.427 3.498
71 HG21 THR 10 HG21 THR 10 1.735 6.339 4.288
72 HG22 THR 10 HG22 THR 10 0.918 5.304 5.458
73 HG23 THR 10 HG23 THR 10 0.870 7.057 5.645
74 H TRP 11 H TRP 11 -3.192 4.611 3.720
75 HA TRP 11 HA TRP 11 -4.719 6.640 2.377
76 HB2 TRP 11 HB3 TRP 11 -4.139 4.244 1.586
77 HB3 TRP 11 HB2 TRP 11 -5.482 3.744 2.593
78 HD1 TRP 11 HD1 TRP 11 -7.964 4.508 1.754
79 HE1 TRP 11 HE1 TRP 11 -8.831 5.181 -0.568
80 HE3 TRP 11 HE3 TRP 11 -3.488 5.388 -0.554
81 HZ2 TRP 11 HZ2 TRP 11 -7.758 5.963 -3.049
82 HZ3 TRP 11 HZ3 TRP 11 -3.498 6.093 -2.911
83 HH2 TRP 11 HH2 TRP 11 -5.591 6.374 -4.136
84 H SER 12 H SER 12 -7.194 6.371 2.521
85 HA SER 12 HA SER 12 -8.114 5.876 5.228
86 HB2 SER 12 HB2 SER 12 -7.255 8.209 5.268
87 HB3 SER 12 HB3 SER 12 -8.372 8.618 3.967
88 HG SER 12 HG SER 12 -10.039 8.487 5.316
89 H GLY 13 H GLY 13 -10.107 5.070 5.212
90 HA2 GLY 13 HA2 GLY 13 -12.292 4.704 4.603
91 HA3 GLY 13 HA3 GLY 13 -12.153 6.059 3.497
92 H VAL 14 H VAL 14 -13.105 5.210 1.739
93 HA VAL 14 HA VAL 14 -12.512 2.555 0.821
94 HB VAL 14 HB VAL 14 -14.160 4.768 -0.419
95 HG11 VAL 14 HG21 VAL 14 -13.421 3.184 -2.093
96 HG12 VAL 14 HG22 VAL 14 -15.149 3.005 -1.792
97 HG13 VAL 14 HG23 VAL 14 -14.009 1.845 -1.111
98 HG21 VAL 14 HG13 VAL 14 -15.000 2.361 1.192
99 HG22 VAL 14 HG11 VAL 14 -16.087 3.511 0.415
100 HG23 VAL 14 HG12 VAL 14 -15.040 4.040 1.731
101 H CYS 15 H CYS 15 -11.412 2.013 -1.045
102 HA CYS 15 HA CYS 15 -9.657 4.109 -2.125
103 HB2 CYS 15 HB3 CYS 15 -8.278 2.491 -1.177
104 HB3 CYS 15 HB2 CYS 15 -9.323 1.165 -1.671
105 H GLY 16 H GLY 16 -9.402 4.339 -4.350
106 HA2 GLY 16 HA2 GLY 16 -11.416 2.920 -5.984
107 HA3 GLY 16 HA3 GLY 16 -11.008 4.615 -6.200
108 H ASN 17 H ASN 17 -8.112 3.717 -5.646
109 HA ASN 17 HA ASN 17 -7.573 2.999 -8.455
110 HB2 ASN 17 HB3 ASN 17 -6.435 5.172 -6.727
111 HB3 ASN 17 HB2 ASN 17 -5.525 4.549 -8.098
112 HD21 ASN 17 HD21 ASN 17 -8.308 6.338 -7.061
113 HD22 ASN 17 HD22 ASN 17 -8.668 7.038 -8.597
114 H ASN 18 H ASN 18 -6.277 1.281 -8.690
115 HA ASN 18 HA ASN 18 -5.063 0.075 -6.378
116 HB2 ASN 18 HB3 ASN 18 -4.429 -1.746 -7.828
117 HB3 ASN 18 HB2 ASN 18 -6.091 -1.298 -8.173
118 HD21 ASN 18 HD21 ASN 18 -4.002 -2.678 -9.760
119 HD22 ASN 18 HD22 ASN 18 -3.909 -1.802 -11.244
120 H GLY 19 H GLY 19 -3.917 1.811 -9.211
121 HA2 GLY 19 HA2 GLY 19 -1.156 1.347 -8.601
122 HA3 GLY 19 HA3 GLY 19 -1.778 2.412 -9.832
123 H ALA 20 H ALA 20 -3.393 4.039 -8.214
124 HA ALA 20 HA ALA 20 -1.534 5.865 -7.104
125 HB1 ALA 20 HB1 ALA 20 -3.797 6.510 -7.892
126 HB2 ALA 20 HB2 ALA 20 -3.465 7.065 -6.252
127 HB3 ALA 20 HB3 ALA 20 -4.497 5.661 -6.515
128 H CYS 21 H CYS 21 -3.505 3.289 -5.759
129 HA CYS 21 HA CYS 21 -2.774 3.615 -3.052
130 HB2 CYS 21 HB3 CYS 21 -4.647 2.207 -3.588
131 HB3 CYS 21 HB2 CYS 21 -3.657 1.191 -4.630
132 H ARG 22 H ARG 22 -1.440 1.621 -5.693
133 HA ARG 22 HA ARG 22 0.596 0.355 -4.274
134 HB2 ARG 22 HB3 ARG 22 -0.020 -0.206 -6.597
135 HB3 ARG 22 HB2 ARG 22 0.637 1.331 -7.140
136 HG2 ARG 22 HG3 ARG 22 2.866 0.620 -6.370
137 HG3 ARG 22 HG2 ARG 22 2.185 -0.943 -5.915
138 HD2 ARG 22 HD3 ARG 22 3.231 -1.136 -8.078
139 HD3 ARG 22 HD2 ARG 22 1.486 -1.276 -8.259
140 HE ARG 22 HE ARG 22 2.280 1.411 -8.621
141 HH11 ARG 22 HH11 ARG 22 2.402 -1.688 -10.253
142 HH12 ARG 22 HH12 ARG 22 2.412 -0.990 -11.839
143 HH21 ARG 22 HH22 ARG 22 2.302 2.321 -10.706
144 HH22 ARG 22 HH21 ARG 22 2.374 1.291 -12.097
145 H ASN 23 H ASN 23 0.638 3.354 -6.074
146 HA ASN 23 HA ASN 23 3.287 4.087 -5.770
147 HB2 ASN 23 HB3 ASN 23 1.673 5.124 -7.313
148 HB3 ASN 23 HB2 ASN 23 0.818 5.829 -5.957
149 HD21 ASN 23 HD21 ASN 23 1.074 7.892 -6.655
150 HD22 ASN 23 HD22 ASN 23 2.592 8.711 -6.626
151 H GLN 24 H GLN 24 0.507 4.950 -3.753
152 HA GLN 24 HA GLN 24 1.897 6.648 -1.988
153 HB2 GLN 24 HB2 GLN 24 -0.642 6.335 -2.277
154 HB3 GLN 24 HB3 GLN 24 -0.474 4.992 -1.162
155 HG2 GLN 24 HG3 GLN 24 0.394 6.454 0.539
156 HG3 GLN 24 HG2 GLN 24 0.362 7.819 -0.576
157 HE21 GLN 24 HE21 GLN 24 -1.492 5.711 1.432
158 HE22 GLN 24 HE22 GLN 24 -2.971 6.607 1.357
159 H CYS 25 H CYS 25 1.011 3.230 -1.730
160 HA CYS 25 HA CYS 25 2.232 2.613 0.693
161 HB2 CYS 25 HB3 CYS 25 1.951 0.916 -1.798
162 HB3 CYS 25 HB2 CYS 25 2.461 0.297 -0.237
163 H ILE 26 H ILE 26 3.687 2.845 -2.548
164 HA ILE 26 HA ILE 26 6.208 1.786 -1.975
165 HB ILE 26 HB ILE 26 5.802 4.155 -3.795
166 HG12 ILE 26 HG13 ILE 26 4.105 2.585 -4.456
167 HG13 ILE 26 HG12 ILE 26 5.413 2.519 -5.629
168 HG21 ILE 26 HG21 ILE 26 8.101 3.515 -3.384
169 HG22 ILE 26 HG22 ILE 26 7.651 3.155 -5.050
170 HG23 ILE 26 HG23 ILE 26 7.745 1.855 -3.863
171 HD11 ILE 26 HD11 ILE 26 6.234 0.479 -4.598
172 HD12 ILE 26 HD12 ILE 26 4.554 0.322 -5.118
173 HD13 ILE 26 HD13 ILE 26 4.931 0.560 -3.411
174 H ARG 27 H ARG 27 5.357 5.210 -2.207
175 HA ARG 27 HA ARG 27 7.870 6.030 -1.233
176 HB2 ARG 27 HB3 ARG 27 6.866 8.311 -1.326
177 HB3 ARG 27 HB2 ARG 27 6.839 7.409 -2.832
178 HG2 ARG 27 HG3 ARG 27 4.528 6.742 -2.295
179 HG3 ARG 27 HG2 ARG 27 4.582 7.836 -0.921
180 HD2 ARG 27 HD3 ARG 27 3.507 8.961 -2.762
181 HD3 ARG 27 HD2 ARG 27 5.083 9.700 -2.479
182 HE ARG 27 HE ARG 27 5.189 7.628 -4.449
183 HH11 ARG 27 HH11 ARG 27 4.362 10.993 -3.958
184 HH12 ARG 27 HH12 ARG 27 4.646 11.432 -5.610
185 HH21 ARG 27 HH22 ARG 27 5.549 8.195 -6.618
186 HH22 ARG 27 HH21 ARG 27 5.321 9.839 -7.126
187 H LEU 28 H LEU 28 4.665 5.914 0.272
188 HA LEU 28 HA LEU 28 5.692 7.350 2.579
189 HB2 LEU 28 HB3 LEU 28 2.932 6.277 2.015
190 HB3 LEU 28 HB2 LEU 28 3.372 7.237 3.414
191 HG LEU 28 HG LEU 28 3.363 8.139 0.536
192 HD11 LEU 28 HD11 LEU 28 1.650 9.703 1.324
193 HD12 LEU 28 HD12 LEU 28 1.715 8.959 2.921
194 HD13 LEU 28 HD13 LEU 28 1.158 8.022 1.534
195 HD21 LEU 28 HD21 LEU 28 4.231 9.616 3.017
196 HD22 LEU 28 HD22 LEU 28 3.990 10.346 1.431
197 HD23 LEU 28 HD23 LEU 28 5.257 9.142 1.661
198 H GLU 29 H GLU 29 4.495 4.088 1.842
199 HA GLU 29 HA GLU 29 4.993 3.403 4.644
200 HB2 GLU 29 HB2 GLU 29 3.241 2.095 2.576
201 HB3 GLU 29 HB3 GLU 29 3.569 1.383 4.146
202 HG2 GLU 29 HG2 GLU 29 2.734 3.517 5.172
203 HG3 GLU 29 HG3 GLU 29 2.192 3.975 3.561
204 H LYS 30 H LYS 30 6.529 3.249 1.825
205 HA LYS 30 HA LYS 30 8.478 2.261 1.171
206 HB2 LYS 30 HB3 LYS 30 8.460 0.923 3.878
207 HB3 LYS 30 HB2 LYS 30 9.840 1.101 2.807
208 HG2 LYS 30 HG3 LYS 30 9.965 3.421 3.181
209 HG3 LYS 30 HG2 LYS 30 8.366 3.464 3.926
210 HD2 LYS 30 HD3 LYS 30 10.600 1.855 5.117
211 HD3 LYS 30 HD2 LYS 30 10.435 3.577 5.453
212 HE2 LYS 30 HE3 LYS 30 9.369 2.352 7.218
213 HE3 LYS 30 HE2 LYS 30 8.126 3.144 6.257
214 HZ1 LYS 30 HZ1 LYS 30 7.658 0.795 6.917
215 HZ2 LYS 30 HZ2 LYS 30 8.893 0.305 5.872
216 HZ3 LYS 30 HZ3 LYS 30 7.530 1.101 5.259
217 H ALA 31 H ALA 31 5.832 0.967 0.828
218 HA ALA 31 HA ALA 31 6.253 -1.869 1.053
219 HB1 ALA 31 HB1 ALA 31 4.131 -0.463 -0.548
220 HB2 ALA 31 HB2 ALA 31 4.021 -0.718 1.193
221 HB3 ALA 31 HB3 ALA 31 4.087 -2.103 0.098
222 H ARG 32 H ARG 32 6.411 -3.343 -0.674
223 HA ARG 32 HA ARG 32 8.058 -2.404 -2.850
224 HB2 ARG 32 HB3 ARG 32 7.017 -5.182 -2.242
225 HB3 ARG 32 HB2 ARG 32 8.293 -4.778 -3.378
226 HG2 ARG 32 HG3 ARG 32 8.430 -4.291 -0.413
227 HG3 ARG 32 HG2 ARG 32 9.130 -5.680 -1.243
228 HD2 ARG 32 HD3 ARG 32 9.831 -2.800 -1.790
229 HD3 ARG 32 HD2 ARG 32 10.776 -3.896 -0.785
230 HE ARG 32 HE ARG 32 10.597 -5.229 -3.126
231 HH11 ARG 32 HH11 ARG 32 11.586 -1.975 -2.303
232 HH12 ARG 32 HH12 ARG 32 12.712 -1.853 -3.615
233 HH21 ARG 32 HH22 ARG 32 12.076 -5.070 -4.857
234 HH22 ARG 32 HH21 ARG 32 12.981 -3.603 -5.074
235 H HIS 33 H HIS 33 4.829 -3.564 -2.310
236 HA HIS 33 HA HIS 33 4.025 -2.649 -4.946
237 HB2 HIS 33 HB3 HIS 33 4.568 -5.028 -5.298
238 HB3 HIS 33 HB2 HIS 33 3.508 -5.479 -3.970
239 HD1 HIS 33 HD1 HIS 33 3.274 -3.813 -7.385
240 HD2 HIS 33 HD2 HIS 33 0.976 -6.069 -4.755
241 HE1 HIS 33 HE1 HIS 33 1.099 -4.226 -8.567
242 HE2 HIS 33 HE2 HIS 33 -0.170 -5.793 -7.058
243 H GLY 34 H GLY 34 1.661 -2.431 -5.082
244 HA2 GLY 34 HA2 GLY 34 0.152 -2.787 -2.624
245 HA3 GLY 34 HA3 GLY 34 0.333 -1.132 -3.184
246 H SER 35 H SER 35 -2.112 -2.709 -2.965
247 HA SER 35 HA SER 35 -3.061 -2.298 -5.680
248 HB2 SER 35 HB2 SER 35 -2.266 -4.687 -5.556
249 HB3 SER 35 HB3 SER 35 -3.480 -4.963 -4.310
250 HG SER 35 HG SER 35 -4.633 -5.457 -6.013
251 H CYS 36 H CYS 36 -5.343 -2.158 -5.795
252 HA CYS 36 HA CYS 36 -6.520 -1.316 -3.264
253 HB2 CYS 36 HB3 CYS 36 -6.600 0.118 -5.343
254 HB3 CYS 36 HB2 CYS 36 -7.710 -1.064 -6.029
255 H ASN 37 H ASN 37 -6.467 -3.612 -2.676
256 HA ASN 37 HA ASN 37 -8.044 -5.505 -4.124
257 HB2 ASN 37 HB3 ASN 37 -6.399 -6.670 -3.158
258 HB3 ASN 37 HB2 ASN 37 -6.170 -5.505 -1.863
259 HD21 ASN 37 HD21 ASN 37 -7.537 -5.642 -0.062
260 HD22 ASN 37 HD22 ASN 37 -8.143 -7.171 0.412
261 H TYR 38 H TYR 38 -9.733 -6.761 -3.167
262 HA TYR 38 HA TYR 38 -11.678 -4.932 -2.005
263 HB2 TYR 38 HB2 TYR 38 -12.251 -6.279 -4.010
264 HB3 TYR 38 HB3 TYR 38 -12.105 -7.738 -3.034
265 HD1 TYR 38 HD2 TYR 38 -13.906 -4.485 -3.118
266 HD2 TYR 38 HD1 TYR 38 -13.993 -8.571 -1.956
267 HE1 TYR 38 HE2 TYR 38 -16.244 -4.229 -2.425
268 HE2 TYR 38 HE1 TYR 38 -16.333 -8.328 -1.253
269 HH TYR 38 HH TYR 38 -18.232 -5.652 -2.096
270 H VAL 39 H VAL 39 -10.867 -4.867 0.133
271 HA VAL 39 HA VAL 39 -11.272 -7.223 1.782
272 HB VAL 39 HB VAL 39 -10.800 -4.344 2.608
273 HG11 VAL 39 HG21 VAL 39 -10.745 -6.880 4.240
274 HG12 VAL 39 HG22 VAL 39 -11.953 -5.600 4.341
275 HG13 VAL 39 HG23 VAL 39 -10.287 -5.278 4.819
276 HG21 VAL 39 HG13 VAL 39 -8.886 -5.262 1.424
277 HG22 VAL 39 HG11 VAL 39 -8.892 -6.674 2.480
278 HG23 VAL 39 HG12 VAL 39 -8.524 -5.081 3.140
279 H PHE 40 H PHE 40 -13.366 -7.823 1.666
280 HA PHE 40 HA PHE 40 -15.622 -6.455 1.156
281 HB2 PHE 40 HB2 PHE 40 -15.510 -8.896 1.480
282 HB3 PHE 40 HB3 PHE 40 -15.358 -8.653 3.212
283 HD1 PHE 40 HD1 PHE 40 -17.632 -8.518 0.349
284 HD2 PHE 40 HD2 PHE 40 -17.260 -8.091 4.566
285 HE1 PHE 40 HE1 PHE 40 -20.079 -8.594 0.568
286 HE2 PHE 40 HE2 PHE 40 -19.706 -8.165 4.794
287 HZ PHE 40 HZ PHE 40 -21.120 -8.415 2.794
288 HA PRO 41 HA PRO 41 -17.389 -5.913 1.302
289 HB2 PRO 41 HB3 PRO 41 -19.334 -4.162 1.664
290 HB3 PRO 41 HB2 PRO 41 -19.206 -5.573 2.723
291 HG2 PRO 41 HG3 PRO 41 -18.506 -2.731 3.265
292 HG3 PRO 41 HG2 PRO 41 -19.143 -3.960 4.370
293 HD2 PRO 41 HD3 PRO 41 -16.420 -3.184 4.016
294 HD3 PRO 41 HD2 PRO 41 -17.041 -4.505 5.026
295 H ALA 42 H ALA 42 -15.013 -3.936 1.464
296 HA ALA 42 HA ALA 42 -15.879 -2.265 -0.775
297 HB1 ALA 42 HB1 ALA 42 -14.544 -1.101 1.663
298 HB2 ALA 42 HB2 ALA 42 -16.251 -0.924 1.258
299 HB3 ALA 42 HB3 ALA 42 -15.018 -0.228 0.207
300 H HIS 43 H HIS 43 -14.075 -1.215 -1.901
301 HA HIS 43 HA HIS 43 -11.726 -2.867 -2.001
302 HB2 HIS 43 HB3 HIS 43 -12.654 -0.449 -3.504
303 HB3 HIS 43 HB2 HIS 43 -10.961 -0.922 -3.591
304 HD1 HIS 43 HD1 HIS 43 -10.370 -2.961 -5.000
305 HD2 HIS 43 HD2 HIS 43 -14.466 -2.281 -4.703
306 HE1 HIS 43 HE1 HIS 43 -11.439 -4.506 -6.671
307 HE2 HIS 43 HE2 HIS 43 -13.900 -3.980 -6.568
308 H LYS 44 H LYS 44 -9.868 -2.579 -1.002
309 HA LYS 44 HA LYS 44 -9.491 -0.085 0.509
310 HB2 LYS 44 HB3 LYS 44 -9.132 -2.941 1.381
311 HB3 LYS 44 HB2 LYS 44 -8.274 -1.629 2.180
312 HG2 LYS 44 HG3 LYS 44 -11.251 -1.671 1.863
313 HG3 LYS 44 HG2 LYS 44 -10.424 -2.370 3.258
314 HD2 LYS 44 HD3 LYS 44 -9.417 -0.188 3.732
315 HD3 LYS 44 HD2 LYS 44 -10.250 0.498 2.337
316 HE2 LYS 44 HE3 LYS 44 -12.401 -0.017 3.364
317 HE3 LYS 44 HE2 LYS 44 -11.574 -0.722 4.753
318 HZ1 LYS 44 HZ1 LYS 44 -12.335 1.586 5.103
319 HZ2 LYS 44 HZ2 LYS 44 -11.270 2.101 3.893
320 HZ3 LYS 44 HZ3 LYS 44 -10.667 1.396 5.308
321 H CYS 45 H CYS 45 -7.444 0.671 0.681
322 HA CYS 45 HA CYS 45 -5.606 -0.111 -1.374
323 HB2 CYS 45 HB3 CYS 45 -5.849 2.243 -0.612
324 HB3 CYS 45 HB2 CYS 45 -5.198 1.783 0.957
325 H ILE 46 H ILE 46 -4.552 -1.978 -1.158
326 HA ILE 46 HA ILE 46 -3.614 -2.719 1.525
327 HB ILE 46 HB ILE 46 -4.312 -4.518 -0.812
328 HG12 ILE 46 HG13 ILE 46 -6.292 -3.774 0.309
329 HG13 ILE 46 HG12 ILE 46 -5.968 -5.428 0.813
330 HG21 ILE 46 HG21 ILE 46 -2.362 -5.373 0.374
331 HG22 ILE 46 HG22 ILE 46 -3.783 -6.384 0.650
332 HG23 ILE 46 HG23 ILE 46 -3.241 -5.258 1.902
333 HD11 ILE 46 HD11 ILE 46 -6.678 -4.145 2.697
334 HD12 ILE 46 HD12 ILE 46 -5.432 -2.936 2.395
335 HD13 ILE 46 HD13 ILE 46 -4.977 -4.566 2.893
336 H CYS 47 H CYS 47 -1.582 -2.210 1.770
337 HA CYS 47 HA CYS 47 0.312 -2.149 -0.397
338 HB2 CYS 47 HB3 CYS 47 0.841 -1.962 2.583
339 HB3 CYS 47 HB2 CYS 47 1.921 -1.472 1.290
340 H TYR 48 H TYR 48 2.074 -3.571 -0.654
341 HA TYR 48 HA TYR 48 1.755 -6.131 0.758
342 HB2 TYR 48 HB2 TYR 48 2.777 -5.505 -2.003
343 HB3 TYR 48 HB3 TYR 48 2.991 -7.074 -1.239
344 HD1 TYR 48 HD2 TYR 48 0.471 -4.677 -2.461
345 HD2 TYR 48 HD1 TYR 48 1.226 -8.647 -1.175
346 HE1 TYR 48 HE2 TYR 48 -1.741 -5.349 -3.274
347 HE2 TYR 48 HE1 TYR 48 -0.964 -9.345 -1.997
348 HH TYR 48 HH TYR 48 -3.135 -8.381 -2.519
349 H PHE 49 H PHE 49 3.261 -6.698 2.104
350 HA PHE 49 HA PHE 49 5.998 -5.677 1.716
351 HB2 PHE 49 HB2 PHE 49 4.575 -6.260 4.324
352 HB3 PHE 49 HB3 PHE 49 6.264 -5.791 4.179
353 HD1 PHE 49 HD1 PHE 49 6.862 -3.514 3.483
354 HD2 PHE 49 HD2 PHE 49 2.819 -4.654 4.131
355 HE1 PHE 49 HE1 PHE 49 6.206 -1.147 3.572
356 HE2 PHE 49 HE2 PHE 49 2.157 -2.297 4.222
357 HZ PHE 49 HZ PHE 49 3.846 -0.540 3.937
358 HA PRO 50 HA PRO 50 7.164 -9.854 1.022
359 HB2 PRO 50 HB3 PRO 50 9.593 -9.116 2.574
360 HB3 PRO 50 HB2 PRO 50 9.460 -9.843 0.970
361 HG2 PRO 50 HG3 PRO 50 10.103 -7.271 1.261
362 HG3 PRO 50 HG2 PRO 50 9.058 -7.815 -0.065
363 HD2 PRO 50 HD3 PRO 50 8.343 -6.379 2.447
364 HD3 PRO 50 HD2 PRO 50 7.622 -6.264 0.830
365 H CYS 51 H CYS 51 6.424 -11.541 2.097
366 HA CYS 51 HA CYS 51 5.923 -11.673 4.841
367 HB2 CYS 51 HB3 CYS 51 6.416 -13.971 2.936
368 HB3 CYS 51 HB2 CYS 51 5.613 -14.080 4.497
Start of MODEL 3
1 HA PCA 1 HA PCA 1 6.357 -13.912 -5.865
2 HB2 PCA 1 HB2 PCA 1 6.750 -11.738 -6.322
3 HB3 PCA 1 HB3 PCA 1 5.726 -11.300 -4.949
4 HG2 PCA 1 HG2 PCA 1 4.060 -10.670 -6.365
5 H ARG 2 H ARG 2 7.003 -14.100 -3.732
6 HA ARG 2 HA ARG 2 4.910 -14.620 -1.835
7 HB2 ARG 2 HB3 ARG 2 6.791 -15.133 -0.264
8 HB3 ARG 2 HB2 ARG 2 6.812 -16.068 -1.751
9 HG2 ARG 2 HG3 ARG 2 8.945 -15.496 -1.931
10 HG3 ARG 2 HG2 ARG 2 8.383 -13.873 -2.333
11 HD2 ARG 2 HD3 ARG 2 8.352 -13.415 0.155
12 HD3 ARG 2 HD2 ARG 2 9.227 -14.933 0.351
13 HE ARG 2 HE ARG 2 10.594 -13.432 -1.545
14 HH11 ARG 2 HH11 ARG 2 9.788 -13.238 1.863
15 HH12 ARG 2 HH12 ARG 2 11.179 -12.277 2.257
16 HH21 ARG 2 HH22 ARG 2 12.408 -12.161 -1.026
17 HH22 ARG 2 HH21 ARG 2 12.663 -11.655 0.616
18 H LEU 3 H LEU 3 3.836 -12.832 -1.337
19 HA LEU 3 HA LEU 3 5.301 -10.752 0.131
20 HB2 LEU 3 HB3 LEU 3 3.056 -10.314 -1.844
21 HB3 LEU 3 HB2 LEU 3 3.722 -9.082 -0.792
22 HG LEU 3 HG LEU 3 5.419 -10.519 -2.826
23 HD11 LEU 3 HD11 LEU 3 5.062 -8.617 -4.313
24 HD12 LEU 3 HD12 LEU 3 3.884 -7.948 -3.184
25 HD13 LEU 3 HD13 LEU 3 3.552 -9.473 -4.004
26 HD21 LEU 3 HD21 LEU 3 6.596 -9.332 -1.046
27 HD22 LEU 3 HD22 LEU 3 5.694 -7.863 -1.422
28 HD23 LEU 3 HD23 LEU 3 6.822 -8.533 -2.601
29 H CYS 4 H CYS 4 4.054 -9.721 1.770
30 HA CYS 4 HA CYS 4 1.568 -11.136 2.453
31 HB2 CYS 4 HB3 CYS 4 3.828 -10.285 4.268
32 HB3 CYS 4 HB2 CYS 4 2.224 -10.701 4.873
33 H GLU 5 H GLU 5 -0.082 -9.849 2.322
34 HA GLU 5 HA GLU 5 0.225 -7.086 1.825
35 HB2 GLU 5 HB2 GLU 5 -2.346 -8.518 2.469
36 HB3 GLU 5 HB3 GLU 5 -2.152 -7.014 1.582
37 HG2 GLU 5 HG2 GLU 5 -2.426 -8.385 -0.177
38 HG3 GLU 5 HG3 GLU 5 -0.687 -8.589 0.022
39 H LYS 6 H LYS 6 -0.630 -5.327 2.916
40 HA LYS 6 HA LYS 6 -1.294 -5.627 5.747
41 HB2 LYS 6 HB3 LYS 6 1.145 -5.261 5.611
42 HB3 LYS 6 HB2 LYS 6 0.872 -3.830 4.645
43 HG2 LYS 6 HG3 LYS 6 -0.400 -3.926 7.314
44 HG3 LYS 6 HG2 LYS 6 1.350 -3.730 7.240
45 HD2 LYS 6 HD3 LYS 6 1.068 -1.783 5.779
46 HD3 LYS 6 HD2 LYS 6 -0.682 -1.982 5.856
47 HE2 LYS 6 HE3 LYS 6 1.088 -1.485 8.243
48 HE3 LYS 6 HE2 LYS 6 0.210 -0.226 7.379
49 HZ1 LYS 6 HZ1 LYS 6 -0.994 -0.947 9.335
50 HZ2 LYS 6 HZ2 LYS 6 -1.010 -2.542 8.780
51 HZ3 LYS 6 HZ3 LYS 6 -1.861 -1.344 7.937
52 HA PRO 7 HA PRO 7 -4.396 -2.738 4.293
53 HB2 PRO 7 HB3 PRO 7 -5.215 -1.955 6.820
54 HB3 PRO 7 HB2 PRO 7 -5.831 -3.362 5.949
55 HG2 PRO 7 HG3 PRO 7 -3.765 -3.214 8.093
56 HG3 PRO 7 HG2 PRO 7 -5.012 -4.442 7.815
57 HD2 PRO 7 HD3 PRO 7 -2.431 -4.849 7.170
58 HD3 PRO 7 HD2 PRO 7 -3.760 -5.526 6.205
59 H SER 8 H SER 8 -3.958 -0.787 3.578
60 HA SER 8 HA SER 8 -1.703 0.661 4.133
61 HB2 SER 8 HB2 SER 8 -2.946 2.587 3.030
62 HB3 SER 8 HB3 SER 8 -2.887 1.081 2.113
63 HG SER 8 HG SER 8 -4.980 0.699 2.570
64 H GLY 9 H GLY 9 -1.035 1.995 5.652
65 HA2 GLY 9 HA2 GLY 9 -3.016 2.997 7.601
66 HA3 GLY 9 HA3 GLY 9 -1.293 2.807 7.909
67 H THR 10 H THR 10 -1.734 3.968 4.847
68 HA THR 10 HA THR 10 -1.296 6.740 5.741
69 HB THR 10 HB THR 10 -0.148 6.963 3.454
70 HG1 THR 10 HG1 THR 10 0.158 4.133 3.719
71 HG21 THR 10 HG21 THR 10 1.091 7.009 5.537
72 HG22 THR 10 HG22 THR 10 1.978 6.071 4.336
73 HG23 THR 10 HG23 THR 10 1.083 5.248 5.612
74 H TRP 11 H TRP 11 -3.338 4.646 4.137
75 HA TRP 11 HA TRP 11 -4.477 6.660 2.369
76 HB2 TRP 11 HB3 TRP 11 -4.111 4.190 1.766
77 HB3 TRP 11 HB2 TRP 11 -5.477 3.853 2.808
78 HD1 TRP 11 HD1 TRP 11 -7.898 4.459 1.862
79 HE1 TRP 11 HE1 TRP 11 -8.749 5.076 -0.483
80 HE3 TRP 11 HE3 TRP 11 -3.413 5.425 -0.392
81 HZ2 TRP 11 HZ2 TRP 11 -7.657 5.841 -2.967
82 HZ3 TRP 11 HZ3 TRP 11 -3.404 6.085 -2.757
83 HH2 TRP 11 HH2 TRP 11 -5.481 6.288 -4.020
84 H SER 12 H SER 12 -6.977 6.629 2.426
85 HA SER 12 HA SER 12 -8.108 6.428 5.075
86 HB2 SER 12 HB2 SER 12 -7.807 9.145 3.767
87 HB3 SER 12 HB3 SER 12 -8.666 8.810 5.271
88 HG SER 12 HG SER 12 -6.329 7.778 5.649
89 H GLY 13 H GLY 13 -10.297 6.225 5.025
90 HA2 GLY 13 HA2 GLY 13 -12.445 6.212 4.191
91 HA3 GLY 13 HA3 GLY 13 -11.890 7.224 2.865
92 H VAL 14 H VAL 14 -13.212 5.977 1.450
93 HA VAL 14 HA VAL 14 -12.608 3.200 1.047
94 HB VAL 14 HB VAL 14 -14.888 4.243 0.739
95 HG11 VAL 14 HG21 VAL 14 -15.373 5.316 -1.399
96 HG12 VAL 14 HG22 VAL 14 -13.659 5.266 -1.813
97 HG13 VAL 14 HG23 VAL 14 -14.208 6.247 -0.457
98 HG21 VAL 14 HG13 VAL 14 -14.376 2.029 -0.075
99 HG22 VAL 14 HG11 VAL 14 -13.731 2.703 -1.568
100 HG23 VAL 14 HG12 VAL 14 -15.447 2.864 -1.198
101 H CYS 15 H CYS 15 -11.830 2.364 -1.007
102 HA CYS 15 HA CYS 15 -9.952 4.223 -2.298
103 HB2 CYS 15 HB3 CYS 15 -8.650 2.657 -1.115
104 HB3 CYS 15 HB2 CYS 15 -9.696 1.318 -1.561
105 H GLY 16 H GLY 16 -9.666 4.060 -4.556
106 HA2 GLY 16 HA2 GLY 16 -11.595 2.385 -5.998
107 HA3 GLY 16 HA3 GLY 16 -11.663 4.127 -6.215
108 H ASN 17 H ASN 17 -8.593 2.568 -5.763
109 HA ASN 17 HA ASN 17 -7.968 2.518 -8.574
110 HB2 ASN 17 HB3 ASN 17 -6.158 4.275 -8.329
111 HB3 ASN 17 HB2 ASN 17 -7.807 4.886 -8.339
112 HD21 ASN 17 HD21 ASN 17 -8.693 5.731 -6.463
113 HD22 ASN 17 HD22 ASN 17 -7.709 6.163 -5.101
114 H ASN 18 H ASN 18 -6.225 1.283 -8.993
115 HA ASN 18 HA ASN 18 -5.032 -0.088 -6.722
116 HB2 ASN 18 HB3 ASN 18 -4.926 -0.577 -9.700
117 HB3 ASN 18 HB2 ASN 18 -3.981 -1.511 -8.546
118 HD21 ASN 18 HD21 ASN 18 -6.116 -2.323 -10.379
119 HD22 ASN 18 HD22 ASN 18 -7.311 -3.081 -9.386
120 H GLY 19 H GLY 19 -4.172 2.252 -9.129
121 HA2 GLY 19 HA2 GLY 19 -1.345 1.782 -8.910
122 HA3 GLY 19 HA3 GLY 19 -2.117 3.010 -9.866
123 H ALA 20 H ALA 20 -3.372 4.625 -8.258
124 HA ALA 20 HA ALA 20 -1.376 6.128 -6.988
125 HB1 ALA 20 HB1 ALA 20 -3.202 7.460 -6.038
126 HB2 ALA 20 HB2 ALA 20 -4.361 6.211 -6.497
127 HB3 ALA 20 HB3 ALA 20 -3.491 7.108 -7.742
128 H CYS 21 H CYS 21 -3.672 3.774 -5.738
129 HA CYS 21 HA CYS 21 -2.966 3.853 -3.031
130 HB2 CYS 21 HB3 CYS 21 -4.895 2.609 -3.608
131 HB3 CYS 21 HB2 CYS 21 -4.028 1.668 -4.815
132 H ARG 22 H ARG 22 -1.627 1.932 -5.734
133 HA ARG 22 HA ARG 22 0.150 0.419 -4.122
134 HB2 ARG 22 HB3 ARG 22 -0.552 -0.201 -6.424
135 HB3 ARG 22 HB2 ARG 22 0.390 1.143 -7.051
136 HG2 ARG 22 HG3 ARG 22 2.432 0.128 -6.341
137 HG3 ARG 22 HG2 ARG 22 1.557 -1.147 -5.488
138 HD2 ARG 22 HD3 ARG 22 1.695 -0.687 -8.467
139 HD3 ARG 22 HD2 ARG 22 2.318 -2.054 -7.555
140 HE ARG 22 HE ARG 22 -0.144 -2.436 -6.977
141 HH11 ARG 22 HH11 ARG 22 0.964 -1.090 -10.016
142 HH12 ARG 22 HH12 ARG 22 -0.399 -1.672 -10.912
143 HH21 ARG 22 HH22 ARG 22 -1.935 -3.213 -8.168
144 HH22 ARG 22 HH21 ARG 22 -2.042 -2.878 -9.867
145 H ASN 23 H ASN 23 0.579 3.259 -6.133
146 HA ASN 23 HA ASN 23 3.297 3.710 -5.795
147 HB2 ASN 23 HB3 ASN 23 1.861 4.816 -7.458
148 HB3 ASN 23 HB2 ASN 23 1.054 5.702 -6.180
149 HD21 ASN 23 HD21 ASN 23 1.572 7.673 -6.934
150 HD22 ASN 23 HD22 ASN 23 3.174 8.311 -6.933
151 H GLN 24 H GLN 24 0.562 4.893 -3.910
152 HA GLN 24 HA GLN 24 1.953 6.590 -2.171
153 HB2 GLN 24 HB2 GLN 24 -0.547 6.387 -2.373
154 HB3 GLN 24 HB3 GLN 24 -0.447 4.915 -1.425
155 HG2 GLN 24 HG3 GLN 24 0.570 6.191 0.409
156 HG3 GLN 24 HG2 GLN 24 0.373 7.667 -0.535
157 HE21 GLN 24 HE21 GLN 24 -1.208 5.202 1.301
158 HE22 GLN 24 HE22 GLN 24 -2.741 5.991 1.420
159 H CYS 25 H CYS 25 1.000 3.214 -1.743
160 HA CYS 25 HA CYS 25 2.208 2.692 0.689
161 HB2 CYS 25 HB3 CYS 25 1.865 0.860 -1.691
162 HB3 CYS 25 HB2 CYS 25 2.344 0.314 -0.092
163 H ILE 26 H ILE 26 3.658 2.665 -2.542
164 HA ILE 26 HA ILE 26 6.118 1.503 -1.958
165 HB ILE 26 HB ILE 26 5.813 3.808 -3.878
166 HG12 ILE 26 HG13 ILE 26 4.003 2.327 -4.418
167 HG13 ILE 26 HG12 ILE 26 5.272 2.097 -5.615
168 HG21 ILE 26 HG21 ILE 26 7.610 1.391 -3.869
169 HG22 ILE 26 HG22 ILE 26 8.079 3.052 -3.514
170 HG23 ILE 26 HG23 ILE 26 7.552 2.616 -5.137
171 HD11 ILE 26 HD11 ILE 26 4.270 0.002 -4.929
172 HD12 ILE 26 HD12 ILE 26 4.738 0.322 -3.257
173 HD13 ILE 26 HD13 ILE 26 5.977 0.072 -4.490
174 H ARG 27 H ARG 27 5.311 4.941 -2.099
175 HA ARG 27 HA ARG 27 7.933 5.664 -1.272
176 HB2 ARG 27 HB3 ARG 27 7.062 7.986 -1.447
177 HB3 ARG 27 HB2 ARG 27 6.952 7.026 -2.913
178 HG2 ARG 27 HG3 ARG 27 4.609 6.512 -2.253
179 HG3 ARG 27 HG2 ARG 27 4.773 7.737 -1.002
180 HD2 ARG 27 HD3 ARG 27 3.734 8.749 -2.925
181 HD3 ARG 27 HD2 ARG 27 5.370 9.383 -2.766
182 HE ARG 27 HE ARG 27 4.873 7.141 -4.593
183 HH11 ARG 27 HH11 ARG 27 5.752 10.501 -4.116
184 HH12 ARG 27 HH12 ARG 27 6.308 10.712 -5.745
185 HH21 ARG 27 HH22 ARG 27 5.591 7.424 -6.730
186 HH22 ARG 27 HH21 ARG 27 6.207 8.968 -7.235
187 H LEU 28 H LEU 28 4.731 5.844 0.254
188 HA LEU 28 HA LEU 28 5.811 7.287 2.500
189 HB2 LEU 28 HB3 LEU 28 3.086 6.064 2.090
190 HB3 LEU 28 HB2 LEU 28 3.537 7.074 3.450
191 HG LEU 28 HG LEU 28 3.378 7.919 0.559
192 HD11 LEU 28 HD11 LEU 28 1.605 9.402 1.378
193 HD12 LEU 28 HD12 LEU 28 1.762 8.688 2.984
194 HD13 LEU 28 HD13 LEU 28 1.214 7.701 1.629
195 HD21 LEU 28 HD21 LEU 28 4.220 9.498 2.986
196 HD22 LEU 28 HD22 LEU 28 3.906 10.172 1.388
197 HD23 LEU 28 HD23 LEU 28 5.243 9.047 1.622
198 H GLU 29 H GLU 29 4.231 4.091 2.213
199 HA GLU 29 HA GLU 29 5.182 3.433 4.865
200 HB2 GLU 29 HB2 GLU 29 3.265 2.161 2.947
201 HB3 GLU 29 HB3 GLU 29 3.838 1.279 4.354
202 HG2 GLU 29 HG2 GLU 29 3.082 3.197 5.764
203 HG3 GLU 29 HG3 GLU 29 2.391 3.910 4.313
204 H LYS 30 H LYS 30 6.541 3.364 1.994
205 HA LYS 30 HA LYS 30 8.409 2.396 1.131
206 HB2 LYS 30 HB3 LYS 30 8.733 1.341 3.945
207 HB3 LYS 30 HB2 LYS 30 9.977 1.310 2.705
208 HG2 LYS 30 HG3 LYS 30 8.719 3.791 3.855
209 HG3 LYS 30 HG2 LYS 30 10.301 3.141 4.291
210 HD2 LYS 30 HD3 LYS 30 11.069 3.455 1.994
211 HD3 LYS 30 HD2 LYS 30 9.481 4.076 1.540
212 HE2 LYS 30 HE3 LYS 30 11.325 5.312 3.580
213 HE3 LYS 30 HE2 LYS 30 11.117 5.872 1.921
214 HZ1 LYS 30 HZ1 LYS 30 9.795 7.181 3.437
215 HZ2 LYS 30 HZ2 LYS 30 9.009 5.799 4.013
216 HZ3 LYS 30 HZ3 LYS 30 8.779 6.299 2.408
217 H ALA 31 H ALA 31 5.882 1.047 1.017
218 HA ALA 31 HA ALA 31 6.416 -1.781 1.241
219 HB1 ALA 31 HB1 ALA 31 4.169 -0.729 1.641
220 HB2 ALA 31 HB2 ALA 31 4.167 -2.075 0.485
221 HB3 ALA 31 HB3 ALA 31 4.091 -0.414 -0.100
222 H ARG 32 H ARG 32 6.559 -3.214 -0.548
223 HA ARG 32 HA ARG 32 8.000 -2.024 -2.749
224 HB2 ARG 32 HB3 ARG 32 7.416 -4.907 -2.083
225 HB3 ARG 32 HB2 ARG 32 8.525 -4.345 -3.322
226 HG2 ARG 32 HG3 ARG 32 8.776 -3.882 -0.362
227 HG3 ARG 32 HG2 ARG 32 9.729 -4.998 -1.330
228 HD2 ARG 32 HD3 ARG 32 9.687 -1.994 -1.573
229 HD3 ARG 32 HD2 ARG 32 10.987 -2.968 -0.895
230 HE ARG 32 HE ARG 32 11.001 -3.983 -3.280
231 HH11 ARG 32 HH11 ARG 32 10.397 -0.622 -2.469
232 HH12 ARG 32 HH12 ARG 32 11.054 -0.013 -3.952
233 HH21 ARG 32 HH22 ARG 32 11.863 -3.181 -5.234
234 HH22 ARG 32 HH21 ARG 32 11.882 -1.472 -5.533
235 H HIS 33 H HIS 33 4.888 -3.397 -2.151
236 HA HIS 33 HA HIS 33 4.062 -2.641 -4.818
237 HB2 HIS 33 HB3 HIS 33 4.917 -5.081 -4.866
238 HB3 HIS 33 HB2 HIS 33 3.471 -5.471 -3.946
239 HD1 HIS 33 HD1 HIS 33 4.175 -3.480 -7.120
240 HD2 HIS 33 HD2 HIS 33 1.528 -6.319 -5.627
241 HE1 HIS 33 HE1 HIS 33 2.489 -3.853 -8.945
242 HE2 HIS 33 HE2 HIS 33 1.048 -5.751 -8.108
243 H GLY 34 H GLY 34 1.549 -3.245 -4.984
244 HA2 GLY 34 HA2 GLY 34 0.060 -3.533 -2.612
245 HA3 GLY 34 HA3 GLY 34 0.203 -1.827 -2.995
246 H SER 35 H SER 35 -2.287 -2.694 -2.969
247 HA SER 35 HA SER 35 -3.192 -2.161 -5.592
248 HB2 SER 35 HB2 SER 35 -2.453 -4.647 -5.709
249 HB3 SER 35 HB3 SER 35 -3.884 -4.966 -4.727
250 HG SER 35 HG SER 35 -5.120 -4.600 -6.401
251 H CYS 36 H CYS 36 -5.521 -2.043 -5.695
252 HA CYS 36 HA CYS 36 -6.669 -1.453 -3.086
253 HB2 CYS 36 HB3 CYS 36 -6.810 0.122 -5.069
254 HB3 CYS 36 HB2 CYS 36 -7.899 -1.041 -5.813
255 H ASN 37 H ASN 37 -6.709 -3.712 -2.519
256 HA ASN 37 HA ASN 37 -7.991 -5.683 -4.082
257 HB2 ASN 37 HB3 ASN 37 -7.041 -7.066 -2.590
258 HB3 ASN 37 HB2 ASN 37 -6.360 -5.632 -1.824
259 HD21 ASN 37 HD21 ASN 37 -7.545 -4.676 -0.100
260 HD22 ASN 37 HD22 ASN 37 -8.477 -5.681 0.932
261 H TYR 38 H TYR 38 -9.949 -6.786 -3.712
262 HA TYR 38 HA TYR 38 -12.018 -5.080 -2.568
263 HB2 TYR 38 HB2 TYR 38 -12.442 -5.996 -4.800
264 HB3 TYR 38 HB3 TYR 38 -12.270 -7.634 -4.171
265 HD1 TYR 38 HD1 TYR 38 -14.199 -4.544 -3.328
266 HD2 TYR 38 HD2 TYR 38 -14.240 -8.768 -3.784
267 HE1 TYR 38 HE1 TYR 38 -16.584 -4.575 -2.758
268 HE2 TYR 38 HE2 TYR 38 -16.630 -8.814 -3.223
269 HH TYR 38 HH TYR 38 -18.288 -7.507 -2.125
270 H VAL 39 H VAL 39 -11.301 -5.430 -0.400
271 HA VAL 39 HA VAL 39 -11.820 -8.022 0.756
272 HB VAL 39 HB VAL 39 -10.068 -6.736 1.789
273 HG11 VAL 39 HG21 VAL 39 -10.443 -4.576 2.870
274 HG12 VAL 39 HG22 VAL 39 -12.103 -4.569 2.278
275 HG13 VAL 39 HG23 VAL 39 -10.761 -4.502 1.137
276 HG21 VAL 39 HG13 VAL 39 -10.815 -6.662 4.118
277 HG22 VAL 39 HG11 VAL 39 -11.386 -8.113 3.295
278 HG23 VAL 39 HG12 VAL 39 -12.492 -6.770 3.580
279 H PHE 40 H PHE 40 -13.857 -8.624 0.641
280 HA PHE 40 HA PHE 40 -16.052 -7.140 0.071
281 HB2 PHE 40 HB2 PHE 40 -15.834 -9.661 0.126
282 HB3 PHE 40 HB3 PHE 40 -16.154 -9.570 1.851
283 HD1 PHE 40 HD2 PHE 40 -18.365 -8.913 2.676
284 HD2 PHE 40 HD1 PHE 40 -17.576 -9.361 -1.479
285 HE1 PHE 40 HE2 PHE 40 -20.783 -8.978 2.225
286 HE2 PHE 40 HE1 PHE 40 -19.988 -9.429 -1.936
287 HZ PHE 40 HZ PHE 40 -21.597 -9.235 -0.084
288 HA PRO 41 HA PRO 41 -17.741 -6.491 0.075
289 HB2 PRO 41 HB3 PRO 41 -19.679 -4.742 0.511
290 HB3 PRO 41 HB2 PRO 41 -19.732 -6.343 1.260
291 HG2 PRO 41 HG3 PRO 41 -19.123 -3.706 2.481
292 HG3 PRO 41 HG2 PRO 41 -19.849 -5.146 3.213
293 HD2 PRO 41 HD3 PRO 41 -17.103 -4.308 3.304
294 HD3 PRO 41 HD2 PRO 41 -17.824 -5.764 4.020
295 H ALA 42 H ALA 42 -15.411 -4.609 0.996
296 HA ALA 42 HA ALA 42 -16.081 -2.384 -0.816
297 HB1 ALA 42 HB1 ALA 42 -14.695 -2.076 1.841
298 HB2 ALA 42 HB2 ALA 42 -16.378 -1.662 1.512
299 HB3 ALA 42 HB3 ALA 42 -15.079 -0.786 0.702
300 H HIS 43 H HIS 43 -14.297 -1.274 -1.760
301 HA HIS 43 HA HIS 43 -11.884 -2.886 -2.041
302 HB2 HIS 43 HB3 HIS 43 -13.016 -0.537 -3.514
303 HB3 HIS 43 HB2 HIS 43 -11.291 -0.862 -3.616
304 HD1 HIS 43 HD1 HIS 43 -10.537 -2.888 -4.990
305 HD2 HIS 43 HD2 HIS 43 -14.668 -2.416 -4.803
306 HE1 HIS 43 HE1 HIS 43 -11.477 -4.450 -6.719
307 HE2 HIS 43 HE2 HIS 43 -13.969 -4.096 -6.640
308 H LYS 44 H LYS 44 -10.082 -2.494 -0.963
309 HA LYS 44 HA LYS 44 -9.729 0.153 0.259
310 HB2 LYS 44 HB3 LYS 44 -9.509 -2.537 1.587
311 HB3 LYS 44 HB2 LYS 44 -8.670 -1.128 2.221
312 HG2 LYS 44 HG3 LYS 44 -11.630 -1.250 1.750
313 HG3 LYS 44 HG2 LYS 44 -10.861 -1.598 3.300
314 HD2 LYS 44 HD3 LYS 44 -9.894 0.676 3.281
315 HD3 LYS 44 HD2 LYS 44 -10.748 1.005 1.774
316 HE2 LYS 44 HE3 LYS 44 -11.954 1.920 3.682
317 HE3 LYS 44 HE2 LYS 44 -12.884 0.645 2.896
318 HZ1 LYS 44 HZ1 LYS 44 -12.915 0.481 5.326
319 HZ2 LYS 44 HZ2 LYS 44 -11.237 0.274 5.338
320 HZ3 LYS 44 HZ3 LYS 44 -12.227 -0.886 4.611
321 H CYS 45 H CYS 45 -7.603 0.755 0.665
322 HA CYS 45 HA CYS 45 -5.793 -0.184 -1.357
323 HB2 CYS 45 HB3 CYS 45 -5.984 2.221 -0.732
324 HB3 CYS 45 HB2 CYS 45 -5.320 1.833 0.852
325 H ILE 46 H ILE 46 -4.416 -1.798 -1.108
326 HA ILE 46 HA ILE 46 -3.638 -2.530 1.630
327 HB ILE 46 HB ILE 46 -4.344 -4.384 -0.652
328 HG12 ILE 46 HG13 ILE 46 -6.256 -3.464 0.538
329 HG13 ILE 46 HG12 ILE 46 -6.077 -5.188 0.842
330 HG21 ILE 46 HG21 ILE 46 -3.835 -6.217 0.876
331 HG22 ILE 46 HG22 ILE 46 -3.257 -5.058 2.075
332 HG23 ILE 46 HG23 ILE 46 -2.405 -5.239 0.541
333 HD11 ILE 46 HD11 ILE 46 -5.406 -2.928 2.689
334 HD12 ILE 46 HD12 ILE 46 -4.987 -4.615 2.995
335 HD13 ILE 46 HD13 ILE 46 -6.680 -4.134 2.867
336 H CYS 47 H CYS 47 -1.565 -2.277 1.937
337 HA CYS 47 HA CYS 47 0.267 -2.069 -0.304
338 HB2 CYS 47 HB3 CYS 47 0.855 -1.846 2.655
339 HB3 CYS 47 HB2 CYS 47 1.874 -1.297 1.334
340 H TYR 48 H TYR 48 1.827 -3.549 -0.818
341 HA TYR 48 HA TYR 48 1.715 -6.098 0.636
342 HB2 TYR 48 HB2 TYR 48 2.640 -5.392 -2.142
343 HB3 TYR 48 HB3 TYR 48 2.991 -6.945 -1.404
344 HD1 TYR 48 HD2 TYR 48 -0.156 -4.931 -1.301
345 HD2 TYR 48 HD1 TYR 48 1.774 -8.484 -2.611
346 HE1 TYR 48 HE2 TYR 48 -2.304 -5.784 -2.118
347 HE2 TYR 48 HE1 TYR 48 -0.367 -9.357 -3.421
348 HH TYR 48 HH TYR 48 -2.743 -9.043 -3.072
349 H PHE 49 H PHE 49 3.300 -6.602 1.958
350 HA PHE 49 HA PHE 49 5.937 -5.386 1.499
351 HB2 PHE 49 HB2 PHE 49 4.705 -6.277 4.108
352 HB3 PHE 49 HB3 PHE 49 6.344 -5.681 3.922
353 HD1 PHE 49 HD1 PHE 49 2.787 -4.744 3.884
354 HD2 PHE 49 HD2 PHE 49 6.802 -3.363 3.637
355 HE1 PHE 49 HE1 PHE 49 2.016 -2.443 4.205
356 HE2 PHE 49 HE2 PHE 49 6.029 -1.054 3.962
357 HZ PHE 49 HZ PHE 49 3.629 -0.596 4.250
358 HA PRO 50 HA PRO 50 7.351 -9.529 0.837
359 HB2 PRO 50 HB3 PRO 50 10.007 -8.627 1.621
360 HB3 PRO 50 HB2 PRO 50 9.427 -9.207 0.059
361 HG2 PRO 50 HG3 PRO 50 10.079 -6.618 0.521
362 HG3 PRO 50 HG2 PRO 50 8.848 -7.103 -0.653
363 HD2 PRO 50 HD3 PRO 50 8.506 -6.007 2.112
364 HD3 PRO 50 HD2 PRO 50 7.548 -5.716 0.646
365 H CYS 51 H CYS 51 6.881 -10.977 2.304
366 HA CYS 51 HA CYS 51 7.913 -10.662 5.019
367 HB2 CYS 51 HB3 CYS 51 6.497 -12.822 5.362
368 HB3 CYS 51 HB2 CYS 51 5.697 -11.263 5.206
Start of MODEL 4
1 HA PCA 1 HA PCA 1 4.989 -13.566 -5.034
2 HB2 PCA 1 HB2 PCA 1 2.885 -12.763 -5.088
3 HB3 PCA 1 HB3 PCA 1 2.618 -13.346 -3.441
4 HG2 PCA 1 HG2 PCA 1 1.372 -15.070 -4.253
5 H ARG 2 H ARG 2 6.596 -13.264 -3.609
6 HA ARG 2 HA ARG 2 6.430 -14.422 -0.958
7 HB2 ARG 2 HB3 ARG 2 8.767 -13.383 -0.737
8 HB3 ARG 2 HB2 ARG 2 8.561 -14.685 -1.879
9 HG2 ARG 2 HG3 ARG 2 9.856 -13.219 -3.061
10 HG3 ARG 2 HG2 ARG 2 8.236 -12.805 -3.617
11 HD2 ARG 2 HD3 ARG 2 9.374 -10.773 -3.163
12 HD3 ARG 2 HD2 ARG 2 8.192 -11.028 -1.883
13 HE ARG 2 HE ARG 2 10.331 -12.065 -0.738
14 HH11 ARG 2 HH11 ARG 2 10.018 -9.087 -2.560
15 HH12 ARG 2 HH12 ARG 2 11.320 -8.298 -1.730
16 HH21 ARG 2 HH22 ARG 2 12.034 -11.029 0.357
17 HH22 ARG 2 HH21 ARG 2 12.467 -9.403 -0.061
18 H LEU 3 H LEU 3 4.486 -12.589 -1.284
19 HA LEU 3 HA LEU 3 5.372 -10.324 0.369
20 HB2 LEU 3 HB3 LEU 3 3.424 -10.267 -1.937
21 HB3 LEU 3 HB2 LEU 3 3.688 -8.938 -0.832
22 HG LEU 3 HG LEU 3 5.892 -10.081 -2.542
23 HD11 LEU 3 HD11 LEU 3 4.087 -7.739 -3.135
24 HD12 LEU 3 HD12 LEU 3 4.099 -9.280 -3.993
25 HD13 LEU 3 HD13 LEU 3 5.505 -8.217 -4.068
26 HD21 LEU 3 HD21 LEU 3 6.567 -8.769 -0.573
27 HD22 LEU 3 HD22 LEU 3 5.585 -7.423 -1.148
28 HD23 LEU 3 HD23 LEU 3 6.981 -7.959 -2.083
29 H CYS 4 H CYS 4 4.164 -9.926 2.110
30 HA CYS 4 HA CYS 4 1.525 -11.220 2.297
31 HB2 CYS 4 HB3 CYS 4 3.594 -10.621 4.399
32 HB3 CYS 4 HB2 CYS 4 1.896 -10.772 4.841
33 H GLU 5 H GLU 5 -0.115 -9.895 2.136
34 HA GLU 5 HA GLU 5 0.307 -7.131 1.744
35 HB2 GLU 5 HB2 GLU 5 -2.360 -8.466 2.182
36 HB3 GLU 5 HB3 GLU 5 -2.034 -6.965 1.328
37 HG2 GLU 5 HG2 GLU 5 -2.300 -8.335 -0.445
38 HG3 GLU 5 HG3 GLU 5 -0.571 -8.547 -0.186
39 H LYS 6 H LYS 6 -0.550 -5.375 2.839
40 HA LYS 6 HA LYS 6 -1.407 -5.742 5.611
41 HB2 LYS 6 HB3 LYS 6 1.105 -5.411 5.522
42 HB3 LYS 6 HB2 LYS 6 0.800 -3.847 4.801
43 HG2 LYS 6 HG3 LYS 6 -0.367 -3.112 6.788
44 HG3 LYS 6 HG2 LYS 6 -0.139 -4.701 7.524
45 HD2 LYS 6 HD3 LYS 6 2.281 -4.399 7.451
46 HD3 LYS 6 HD2 LYS 6 2.066 -2.824 6.682
47 HE2 LYS 6 HE3 LYS 6 0.920 -1.991 8.646
48 HE3 LYS 6 HE2 LYS 6 1.022 -3.577 9.407
49 HZ1 LYS 6 HZ1 LYS 6 3.316 -1.835 8.693
50 HZ2 LYS 6 HZ2 LYS 6 3.441 -3.373 9.379
51 HZ3 LYS 6 HZ3 LYS 6 2.727 -2.115 10.252
52 HA PRO 7 HA PRO 7 -4.301 -2.648 4.193
53 HB2 PRO 7 HB3 PRO 7 -4.983 -1.711 6.705
54 HB3 PRO 7 HB2 PRO 7 -5.719 -3.110 5.915
55 HG2 PRO 7 HG3 PRO 7 -3.548 -3.016 7.967
56 HG3 PRO 7 HG2 PRO 7 -4.906 -4.146 7.820
57 HD2 PRO 7 HD3 PRO 7 -2.432 -4.836 7.073
58 HD3 PRO 7 HD2 PRO 7 -3.857 -5.386 6.163
59 H SER 8 H SER 8 -3.903 -0.645 3.489
60 HA SER 8 HA SER 8 -1.513 0.678 4.050
61 HB2 SER 8 HB2 SER 8 -2.698 1.078 1.971
62 HB3 SER 8 HB3 SER 8 -4.070 1.760 2.846
63 HG SER 8 HG SER 8 -1.422 2.817 2.835
64 H GLY 9 H GLY 9 -0.889 2.124 5.502
65 HA2 GLY 9 HA2 GLY 9 -2.895 3.008 7.477
66 HA3 GLY 9 HA3 GLY 9 -1.169 2.869 7.777
67 H THR 10 H THR 10 -1.854 4.131 4.739
68 HA THR 10 HA THR 10 -1.456 6.875 5.740
69 HB THR 10 HB THR 10 -0.398 7.292 3.460
70 HG1 THR 10 HG1 THR 10 -0.076 4.447 3.462
71 HG21 THR 10 HG21 THR 10 0.935 7.163 5.496
72 HG22 THR 10 HG22 THR 10 1.789 6.401 4.155
73 HG23 THR 10 HG23 THR 10 0.987 5.404 5.368
74 H TRP 11 H TRP 11 -3.267 4.710 3.825
75 HA TRP 11 HA TRP 11 -4.755 6.782 2.452
76 HB2 TRP 11 HB3 TRP 11 -4.155 4.381 1.624
77 HB3 TRP 11 HB2 TRP 11 -5.538 3.888 2.578
78 HD1 TRP 11 HD1 TRP 11 -7.974 4.731 1.683
79 HE1 TRP 11 HE1 TRP 11 -8.752 5.495 -0.640
80 HE3 TRP 11 HE3 TRP 11 -3.401 5.512 -0.481
81 HZ2 TRP 11 HZ2 TRP 11 -7.583 6.277 -3.081
82 HZ3 TRP 11 HZ3 TRP 11 -3.326 6.240 -2.826
83 HH2 TRP 11 HH2 TRP 11 -5.371 6.621 -4.102
84 H SER 12 H SER 12 -7.218 6.516 2.598
85 HA SER 12 HA SER 12 -8.115 5.953 5.324
86 HB2 SER 12 HB2 SER 12 -8.608 8.603 3.936
87 HB3 SER 12 HB3 SER 12 -9.249 8.124 5.506
88 HG SER 12 HG SER 12 -6.686 8.935 4.794
89 H GLY 13 H GLY 13 -9.863 4.716 5.196
90 HA2 GLY 13 HA2 GLY 13 -11.940 3.956 4.578
91 HA3 GLY 13 HA3 GLY 13 -12.137 5.432 3.648
92 H VAL 14 H VAL 14 -13.158 4.284 1.976
93 HA VAL 14 HA VAL 14 -11.935 2.132 0.608
94 HB VAL 14 HB VAL 14 -14.372 2.598 0.607
95 HG11 VAL 14 HG21 VAL 14 -13.661 4.855 -1.253
96 HG12 VAL 14 HG22 VAL 14 -14.260 5.027 0.395
97 HG13 VAL 14 HG23 VAL 14 -15.288 4.313 -0.846
98 HG21 VAL 14 HG13 VAL 14 -13.068 2.508 -2.100
99 HG22 VAL 14 HG11 VAL 14 -14.746 2.092 -1.763
100 HG23 VAL 14 HG12 VAL 14 -13.445 1.132 -1.065
101 H CYS 15 H CYS 15 -10.908 2.141 -1.437
102 HA CYS 15 HA CYS 15 -9.653 4.721 -2.092
103 HB2 CYS 15 HB3 CYS 15 -7.844 3.280 -3.104
104 HB3 CYS 15 HB2 CYS 15 -7.996 3.190 -1.356
105 H GLY 16 H GLY 16 -9.447 5.357 -4.238
106 HA2 GLY 16 HA2 GLY 16 -11.320 4.011 -6.073
107 HA3 GLY 16 HA3 GLY 16 -10.853 5.707 -6.146
108 H ASN 17 H ASN 17 -8.084 4.259 -5.486
109 HA ASN 17 HA ASN 17 -7.384 3.714 -8.277
110 HB2 ASN 17 HB3 ASN 17 -6.219 5.834 -6.492
111 HB3 ASN 17 HB2 ASN 17 -5.312 5.180 -7.851
112 HD21 ASN 17 HD21 ASN 17 -7.946 7.160 -6.837
113 HD22 ASN 17 HD22 ASN 17 -8.252 7.878 -8.375
114 H ASN 18 H ASN 18 -6.579 1.697 -8.140
115 HA ASN 18 HA ASN 18 -5.349 0.723 -5.751
116 HB2 ASN 18 HB3 ASN 18 -4.993 -1.355 -6.969
117 HB3 ASN 18 HB2 ASN 18 -6.637 -0.781 -7.203
118 HD21 ASN 18 HD21 ASN 18 -4.989 -2.619 -8.769
119 HD22 ASN 18 HD22 ASN 18 -4.963 -1.975 -10.376
120 H GLY 19 H GLY 19 -4.192 2.011 -8.775
121 HA2 GLY 19 HA2 GLY 19 -1.457 1.282 -8.317
122 HA3 GLY 19 HA3 GLY 19 -2.046 2.359 -9.555
123 H ALA 20 H ALA 20 -3.367 4.227 -7.944
124 HA ALA 20 HA ALA 20 -1.284 5.877 -6.996
125 HB1 ALA 20 HB1 ALA 20 -3.016 7.297 -6.071
126 HB2 ALA 20 HB2 ALA 20 -4.201 5.999 -6.202
127 HB3 ALA 20 HB3 ALA 20 -3.527 6.725 -7.660
128 H CYS 21 H CYS 21 -3.502 3.647 -5.379
129 HA CYS 21 HA CYS 21 -2.546 3.866 -2.768
130 HB2 CYS 21 HB3 CYS 21 -3.928 1.770 -4.343
131 HB3 CYS 21 HB2 CYS 21 -3.096 1.241 -2.888
132 H ARG 22 H ARG 22 -1.468 1.746 -5.428
133 HA ARG 22 HA ARG 22 0.544 0.378 -4.073
134 HB2 ARG 22 HB3 ARG 22 -0.170 -0.239 -6.320
135 HB3 ARG 22 HB2 ARG 22 0.439 1.280 -6.959
136 HG2 ARG 22 HG3 ARG 22 2.727 0.578 -6.301
137 HG3 ARG 22 HG2 ARG 22 2.061 -0.987 -5.821
138 HD2 ARG 22 HD3 ARG 22 2.991 -1.091 -8.071
139 HD3 ARG 22 HD2 ARG 22 1.253 -1.340 -8.088
140 HE ARG 22 HE ARG 22 2.410 1.296 -8.700
141 HH11 ARG 22 HH11 ARG 22 0.386 -1.425 -9.588
142 HH12 ARG 22 HH12 ARG 22 -0.227 -0.664 -11.018
143 HH21 ARG 22 HH22 ARG 22 1.581 2.307 -10.579
144 HH22 ARG 22 HH21 ARG 22 0.453 1.453 -11.585
145 H ASN 23 H ASN 23 0.795 3.264 -6.066
146 HA ASN 23 HA ASN 23 3.460 3.882 -5.723
147 HB2 ASN 23 HB3 ASN 23 1.979 4.946 -7.348
148 HB3 ASN 23 HB2 ASN 23 1.073 5.711 -6.057
149 HD21 ASN 23 HD21 ASN 23 1.423 7.732 -6.861
150 HD22 ASN 23 HD22 ASN 23 2.955 8.523 -6.770
151 H GLN 24 H GLN 24 0.691 4.968 -3.802
152 HA GLN 24 HA GLN 24 2.107 6.606 -2.014
153 HB2 GLN 24 HB2 GLN 24 -0.431 6.387 -2.333
154 HB3 GLN 24 HB3 GLN 24 -0.335 5.028 -1.227
155 HG2 GLN 24 HG3 GLN 24 0.584 6.453 0.497
156 HG3 GLN 24 HG2 GLN 24 0.578 7.828 -0.608
157 HE21 GLN 24 HE21 GLN 24 -1.311 5.754 1.398
158 HE22 GLN 24 HE22 GLN 24 -2.772 6.674 1.322
159 H CYS 25 H CYS 25 1.104 3.219 -1.716
160 HA CYS 25 HA CYS 25 2.284 2.597 0.724
161 HB2 CYS 25 HB3 CYS 25 1.976 0.866 -1.740
162 HB3 CYS 25 HB2 CYS 25 2.424 0.259 -0.154
163 H ILE 26 H ILE 26 3.767 2.666 -2.514
164 HA ILE 26 HA ILE 26 6.279 1.619 -1.858
165 HB ILE 26 HB ILE 26 5.943 3.915 -3.778
166 HG12 ILE 26 HG13 ILE 26 4.168 2.401 -4.382
167 HG13 ILE 26 HG12 ILE 26 5.461 2.261 -5.563
168 HG21 ILE 26 HG21 ILE 26 8.204 3.222 -3.381
169 HG22 ILE 26 HG22 ILE 26 7.727 2.739 -5.009
170 HG23 ILE 26 HG23 ILE 26 7.789 1.542 -3.716
171 HD11 ILE 26 HD11 ILE 26 4.491 0.115 -4.990
172 HD12 ILE 26 HD12 ILE 26 4.948 0.362 -3.302
173 HD13 ILE 26 HD13 ILE 26 6.195 0.201 -4.539
174 H ARG 27 H ARG 27 5.242 4.980 -2.084
175 HA ARG 27 HA ARG 27 7.771 6.035 -1.324
176 HB2 ARG 27 HB3 ARG 27 5.126 7.486 -1.351
177 HB3 ARG 27 HB2 ARG 27 6.728 8.192 -1.497
178 HG2 ARG 27 HG3 ARG 27 7.026 7.085 -3.650
179 HG3 ARG 27 HG2 ARG 27 5.424 6.360 -3.488
180 HD2 ARG 27 HD3 ARG 27 5.307 8.302 -4.929
181 HD3 ARG 27 HD2 ARG 27 4.434 8.610 -3.430
182 HE ARG 27 HE ARG 27 7.138 9.521 -3.304
183 HH11 ARG 27 HH11 ARG 27 3.937 10.351 -4.451
184 HH12 ARG 27 HH12 ARG 27 4.259 12.054 -4.502
185 HH21 ARG 27 HH22 ARG 27 7.556 11.766 -3.352
186 HH22 ARG 27 HH21 ARG 27 6.314 12.858 -3.874
187 H LEU 28 H LEU 28 4.640 5.853 0.352
188 HA LEU 28 HA LEU 28 5.820 7.235 2.635
189 HB2 LEU 28 HB3 LEU 28 2.968 6.403 2.132
190 HB3 LEU 28 HB2 LEU 28 3.523 7.388 3.471
191 HG LEU 28 HG LEU 28 3.638 8.166 0.555
192 HD11 LEU 28 HD11 LEU 28 1.870 9.110 2.805
193 HD12 LEU 28 HD12 LEU 28 1.367 8.161 1.405
194 HD13 LEU 28 HD13 LEU 28 1.936 9.817 1.191
195 HD21 LEU 28 HD21 LEU 28 5.487 9.123 1.824
196 HD22 LEU 28 HD22 LEU 28 4.357 9.724 3.036
197 HD23 LEU 28 HD23 LEU 28 4.311 10.365 1.394
198 H GLU 29 H GLU 29 4.795 4.013 1.787
199 HA GLU 29 HA GLU 29 5.050 3.290 4.623
200 HB2 GLU 29 HB2 GLU 29 3.383 1.927 2.510
201 HB3 GLU 29 HB3 GLU 29 3.530 1.407 4.181
202 HG2 GLU 29 HG2 GLU 29 2.746 3.805 4.739
203 HG3 GLU 29 HG3 GLU 29 2.188 3.821 3.071
204 H LYS 30 H LYS 30 6.742 3.226 1.937
205 HA LYS 30 HA LYS 30 8.615 2.127 1.248
206 HB2 LYS 30 HB3 LYS 30 8.507 0.929 4.022
207 HB3 LYS 30 HB2 LYS 30 9.893 0.867 2.942
208 HG2 LYS 30 HG3 LYS 30 10.112 3.279 3.043
209 HG3 LYS 30 HG2 LYS 30 8.672 3.384 4.059
210 HD2 LYS 30 HD3 LYS 30 9.788 2.075 5.791
211 HD3 LYS 30 HD2 LYS 30 11.223 1.940 4.774
212 HE2 LYS 30 HE3 LYS 30 11.498 3.676 6.466
213 HE3 LYS 30 HE2 LYS 30 11.510 4.361 4.842
214 HZ1 LYS 30 HZ1 LYS 30 9.190 4.352 6.694
215 HZ2 LYS 30 HZ2 LYS 30 9.212 5.023 5.144
216 HZ3 LYS 30 HZ3 LYS 30 10.178 5.681 6.361
217 H ALA 31 H ALA 31 5.989 0.903 0.803
218 HA ALA 31 HA ALA 31 6.413 -1.953 1.024
219 HB1 ALA 31 HB1 ALA 31 4.167 -0.978 1.306
220 HB2 ALA 31 HB2 ALA 31 4.224 -2.164 0.001
221 HB3 ALA 31 HB3 ALA 31 4.211 -0.441 -0.375
222 H ARG 32 H ARG 32 6.369 -3.371 -0.820
223 HA ARG 32 HA ARG 32 7.985 -2.342 -2.998
224 HB2 ARG 32 HB3 ARG 32 7.049 -5.150 -2.402
225 HB3 ARG 32 HB2 ARG 32 8.280 -4.686 -3.560
226 HG2 ARG 32 HG3 ARG 32 8.429 -4.371 -0.576
227 HG3 ARG 32 HG2 ARG 32 9.292 -5.554 -1.550
228 HD2 ARG 32 HD3 ARG 32 9.614 -2.562 -1.671
229 HD3 ARG 32 HD2 ARG 32 10.746 -3.698 -0.945
230 HE ARG 32 HE ARG 32 10.480 -4.530 -3.542
231 HH11 ARG 32 HH11 ARG 32 11.426 -1.571 -1.942
232 HH12 ARG 32 HH12 ARG 32 12.484 -1.062 -3.218
233 HH21 ARG 32 HH22 ARG 32 11.884 -3.871 -5.231
234 HH22 ARG 32 HH21 ARG 32 12.751 -2.374 -5.088
235 H HIS 33 H HIS 33 4.773 -3.391 -2.354
236 HA HIS 33 HA HIS 33 3.902 -2.603 -4.992
237 HB2 HIS 33 HB3 HIS 33 4.535 -4.992 -5.281
238 HB3 HIS 33 HB2 HIS 33 3.425 -5.431 -3.992
239 HD1 HIS 33 HD1 HIS 33 3.338 -3.871 -7.463
240 HD2 HIS 33 HD2 HIS 33 0.904 -6.003 -4.844
241 HE1 HIS 33 HE1 HIS 33 1.225 -4.350 -8.736
242 HE2 HIS 33 HE2 HIS 33 -0.185 -5.743 -7.175
243 H GLY 34 H GLY 34 1.425 -2.714 -5.080
244 HA2 GLY 34 HA2 GLY 34 -0.031 -3.087 -2.662
245 HA3 GLY 34 HA3 GLY 34 0.228 -1.380 -2.989
246 H SER 35 H SER 35 -2.318 -2.548 -2.905
247 HA SER 35 HA SER 35 -3.430 -1.587 -5.298
248 HB2 SER 35 HB2 SER 35 -2.436 -3.769 -6.136
249 HB3 SER 35 HB3 SER 35 -3.580 -4.603 -5.085
250 HG SER 35 HG SER 35 -5.014 -4.331 -6.578
251 H CYS 36 H CYS 36 -5.791 -1.874 -5.325
252 HA CYS 36 HA CYS 36 -6.826 -1.856 -2.647
253 HB2 CYS 36 HB3 CYS 36 -7.978 -1.215 -5.353
254 HB3 CYS 36 HB2 CYS 36 -8.924 -1.208 -3.884
255 H ASN 37 H ASN 37 -6.798 -3.992 -2.000
256 HA ASN 37 HA ASN 37 -7.839 -6.128 -3.560
257 HB2 ASN 37 HB3 ASN 37 -7.279 -7.503 -1.780
258 HB3 ASN 37 HB2 ASN 37 -6.224 -6.129 -1.469
259 HD21 ASN 37 HD21 ASN 37 -8.071 -4.350 -0.393
260 HD22 ASN 37 HD22 ASN 37 -8.545 -4.963 1.142
261 H TYR 38 H TYR 38 -9.747 -7.476 -2.812
262 HA TYR 38 HA TYR 38 -11.960 -5.647 -2.272
263 HB2 TYR 38 HB2 TYR 38 -12.108 -7.127 -4.256
264 HB3 TYR 38 HB3 TYR 38 -12.076 -8.527 -3.183
265 HD1 TYR 38 HD2 TYR 38 -13.988 -5.407 -3.854
266 HD2 TYR 38 HD1 TYR 38 -14.076 -9.372 -2.326
267 HE1 TYR 38 HE2 TYR 38 -16.420 -5.238 -3.576
268 HE2 TYR 38 HE1 TYR 38 -16.510 -9.214 -2.039
269 HH TYR 38 HH TYR 38 -18.366 -6.679 -3.389
270 H VAL 39 H VAL 39 -11.721 -5.385 -0.048
271 HA VAL 39 HA VAL 39 -12.441 -7.705 1.583
272 HB VAL 39 HB VAL 39 -11.864 -4.845 2.399
273 HG11 VAL 39 HG21 VAL 39 -13.492 -5.877 3.902
274 HG12 VAL 39 HG22 VAL 39 -11.935 -5.677 4.705
275 HG13 VAL 39 HG23 VAL 39 -12.425 -7.265 4.114
276 HG21 VAL 39 HG13 VAL 39 -10.273 -7.367 2.831
277 HG22 VAL 39 HG11 VAL 39 -9.829 -5.747 3.365
278 HG23 VAL 39 HG12 VAL 39 -9.902 -6.120 1.643
279 H PHE 40 H PHE 40 -14.504 -8.208 1.498
280 HA PHE 40 HA PHE 40 -16.515 -6.859 0.272
281 HB2 PHE 40 HB2 PHE 40 -16.590 -9.235 0.972
282 HB3 PHE 40 HB3 PHE 40 -16.837 -8.716 2.631
283 HD1 PHE 40 HD2 PHE 40 -18.349 -8.813 -0.722
284 HD2 PHE 40 HD1 PHE 40 -18.975 -8.096 3.425
285 HE1 PHE 40 HE2 PHE 40 -20.781 -8.807 -1.094
286 HE2 PHE 40 HE1 PHE 40 -21.408 -8.091 3.061
287 HZ PHE 40 HZ PHE 40 -22.315 -8.446 0.798
288 HA PRO 41 HA PRO 41 -18.170 -6.219 -0.069
289 HB2 PRO 41 HB3 PRO 41 -20.043 -4.360 -0.378
290 HB3 PRO 41 HB2 PRO 41 -20.261 -5.677 0.779
291 HG2 PRO 41 HG3 PRO 41 -19.655 -2.818 1.268
292 HG3 PRO 41 HG2 PRO 41 -20.499 -3.982 2.301
293 HD2 PRO 41 HD3 PRO 41 -17.741 -3.179 2.421
294 HD3 PRO 41 HD2 PRO 41 -18.583 -4.350 3.454
295 H ALA 42 H ALA 42 -15.871 -4.182 0.534
296 HA ALA 42 HA ALA 42 -16.195 -2.591 -1.921
297 HB1 ALA 42 HB1 ALA 42 -16.786 -1.193 -0.004
298 HB2 ALA 42 HB2 ALA 42 -15.316 -0.621 -0.791
299 HB3 ALA 42 HB3 ALA 42 -15.212 -1.522 0.721
300 H HIS 43 H HIS 43 -14.021 -1.356 -2.330
301 HA HIS 43 HA HIS 43 -11.851 -3.313 -2.115
302 HB2 HIS 43 HB3 HIS 43 -12.357 -1.013 -3.987
303 HB3 HIS 43 HB2 HIS 43 -10.751 -1.708 -3.819
304 HD1 HIS 43 HD1 HIS 43 -10.300 -3.925 -4.960
305 HD2 HIS 43 HD2 HIS 43 -14.287 -2.757 -5.152
306 HE1 HIS 43 HE1 HIS 43 -11.401 -5.536 -6.543
307 HE2 HIS 43 HE2 HIS 43 -13.770 -4.704 -6.773
308 H LYS 44 H LYS 44 -10.340 -3.022 -0.666
309 HA LYS 44 HA LYS 44 -10.082 -0.368 0.575
310 HB2 LYS 44 HB3 LYS 44 -9.596 -3.137 1.673
311 HB3 LYS 44 HB2 LYS 44 -9.106 -1.668 2.509
312 HG2 LYS 44 HG3 LYS 44 -11.925 -2.093 1.624
313 HG3 LYS 44 HG2 LYS 44 -11.337 -2.727 3.157
314 HD2 LYS 44 HD3 LYS 44 -11.043 0.150 2.391
315 HD3 LYS 44 HD2 LYS 44 -12.484 -0.457 3.200
316 HE2 LYS 44 HE3 LYS 44 -9.664 -0.693 4.248
317 HE3 LYS 44 HE2 LYS 44 -10.841 0.514 4.765
318 HZ1 LYS 44 HZ1 LYS 44 -11.089 -2.429 5.078
319 HZ2 LYS 44 HZ2 LYS 44 -12.282 -1.308 5.503
320 HZ3 LYS 44 HZ3 LYS 44 -10.799 -1.309 6.313
321 H CYS 45 H CYS 45 -8.086 0.470 1.000
322 HA CYS 45 HA CYS 45 -6.159 -0.105 -1.026
323 HB2 CYS 45 HB3 CYS 45 -6.721 2.175 -0.078
324 HB3 CYS 45 HB2 CYS 45 -5.812 1.720 1.357
325 H ILE 46 H ILE 46 -4.666 -1.640 -0.917
326 HA ILE 46 HA ILE 46 -3.696 -2.488 1.728
327 HB ILE 46 HB ILE 46 -4.440 -4.225 -0.627
328 HG12 ILE 46 HG13 ILE 46 -6.358 -3.599 0.647
329 HG13 ILE 46 HG12 ILE 46 -5.973 -5.277 0.985
330 HG21 ILE 46 HG21 ILE 46 -3.814 -6.130 0.783
331 HG22 ILE 46 HG22 ILE 46 -3.130 -5.008 1.961
332 HG23 ILE 46 HG23 ILE 46 -2.433 -5.124 0.343
333 HD11 ILE 46 HD11 ILE 46 -6.590 -4.255 3.016
334 HD12 ILE 46 HD12 ILE 46 -5.488 -2.908 2.748
335 HD13 ILE 46 HD13 ILE 46 -4.848 -4.521 3.069
336 H CYS 47 H CYS 47 -1.567 -2.490 1.960
337 HA CYS 47 HA CYS 47 0.147 -2.122 -0.388
338 HB2 CYS 47 HB3 CYS 47 0.849 -1.933 2.551
339 HB3 CYS 47 HB2 CYS 47 1.855 -1.428 1.202
340 H TYR 48 H TYR 48 2.002 -3.469 -0.704
341 HA TYR 48 HA TYR 48 1.773 -6.105 0.595
342 HB2 TYR 48 HB2 TYR 48 2.787 -5.316 -2.132
343 HB3 TYR 48 HB3 TYR 48 3.068 -6.907 -1.439
344 HD1 TYR 48 HD2 TYR 48 0.027 -4.724 -1.526
345 HD2 TYR 48 HD1 TYR 48 1.798 -8.436 -2.589
346 HE1 TYR 48 HE2 TYR 48 -2.117 -5.467 -2.449
347 HE2 TYR 48 HE1 TYR 48 -0.342 -9.202 -3.508
348 HH TYR 48 HH TYR 48 -2.759 -8.693 -3.243
349 H PHE 49 H PHE 49 3.363 -6.723 1.877
350 HA PHE 49 HA PHE 49 5.977 -5.390 1.626
351 HB2 PHE 49 HB2 PHE 49 4.555 -6.351 4.117
352 HB3 PHE 49 HB3 PHE 49 6.218 -5.772 4.085
353 HD1 PHE 49 HD1 PHE 49 2.696 -4.821 3.838
354 HD2 PHE 49 HD2 PHE 49 6.716 -3.435 3.782
355 HE1 PHE 49 HE1 PHE 49 1.902 -2.518 4.113
356 HE2 PHE 49 HE2 PHE 49 5.928 -1.127 4.059
357 HZ PHE 49 HZ PHE 49 3.516 -0.661 4.225
358 HA PRO 50 HA PRO 50 7.832 -9.307 0.778
359 HB2 PRO 50 HB3 PRO 50 9.959 -8.329 2.626
360 HB3 PRO 50 HB2 PRO 50 10.099 -8.990 0.991
361 HG2 PRO 50 HG3 PRO 50 10.326 -6.388 1.371
362 HG3 PRO 50 HG2 PRO 50 9.402 -7.004 -0.008
363 HD2 PRO 50 HD3 PRO 50 8.415 -5.882 2.586
364 HD3 PRO 50 HD2 PRO 50 7.781 -5.651 0.943
365 H CYS 51 H CYS 51 7.105 -11.079 1.644
366 HA CYS 51 HA CYS 51 6.891 -11.315 4.551
367 HB2 CYS 51 HB3 CYS 51 5.045 -11.866 2.747
368 HB3 CYS 51 HB2 CYS 51 5.908 -13.396 2.639
Start of MODEL 5
1 HA PCA 1 HA PCA 1 4.046 -17.443 1.446
2 HB2 PCA 1 HB2 PCA 1 5.623 -18.124 2.905
3 HB3 PCA 1 HB3 PCA 1 6.897 -17.581 1.806
4 HG2 PCA 1 HG2 PCA 1 7.307 -19.753 1.251
5 H ARG 2 H ARG 2 3.608 -16.117 -0.550
6 HA ARG 2 HA ARG 2 5.920 -14.642 -1.546
7 HB2 ARG 2 HB3 ARG 2 4.344 -13.579 -3.078
8 HB3 ARG 2 HB2 ARG 2 4.184 -15.327 -3.146
9 HG2 ARG 2 HG3 ARG 2 2.190 -15.237 -1.788
10 HG3 ARG 2 HG2 ARG 2 2.376 -13.494 -1.584
11 HD2 ARG 2 HD3 ARG 2 0.712 -13.948 -3.275
12 HD3 ARG 2 HD2 ARG 2 2.131 -13.209 -4.013
13 HE ARG 2 HE ARG 2 2.435 -15.975 -4.186
14 HH11 ARG 2 HH11 ARG 2 0.307 -13.494 -5.422
15 HH12 ARG 2 HH12 ARG 2 -0.051 -14.348 -6.888
16 HH21 ARG 2 HH22 ARG 2 1.965 -17.109 -6.106
17 HH22 ARG 2 HH21 ARG 2 0.894 -16.411 -7.276
18 H LEU 3 H LEU 3 4.906 -12.165 -1.958
19 HA LEU 3 HA LEU 3 5.311 -10.659 0.261
20 HB2 LEU 3 HB3 LEU 3 3.309 -10.130 -1.935
21 HB3 LEU 3 HB2 LEU 3 3.873 -8.931 -0.791
22 HG LEU 3 HG LEU 3 5.757 -10.368 -2.651
23 HD11 LEU 3 HD11 LEU 3 4.332 -7.751 -3.117
24 HD12 LEU 3 HD12 LEU 3 4.056 -9.251 -4.002
25 HD13 LEU 3 HD13 LEU 3 5.611 -8.428 -4.126
26 HD21 LEU 3 HD21 LEU 3 6.776 -9.259 -0.741
27 HD22 LEU 3 HD22 LEU 3 5.929 -7.764 -1.137
28 HD23 LEU 3 HD23 LEU 3 7.159 -8.398 -2.230
29 H CYS 4 H CYS 4 4.276 -10.197 2.115
30 HA CYS 4 HA CYS 4 1.557 -11.222 2.482
31 HB2 CYS 4 HB3 CYS 4 3.775 -10.528 4.376
32 HB3 CYS 4 HB2 CYS 4 2.110 -10.490 4.948
33 H GLU 5 H GLU 5 -0.106 -9.911 2.453
34 HA GLU 5 HA GLU 5 0.291 -7.152 1.861
35 HB2 GLU 5 HB2 GLU 5 -2.362 -8.417 2.507
36 HB3 GLU 5 HB3 GLU 5 -2.036 -7.020 1.493
37 HG2 GLU 5 HG2 GLU 5 -2.427 -8.560 -0.114
38 HG3 GLU 5 HG3 GLU 5 -0.691 -8.789 0.084
39 H LYS 6 H LYS 6 -0.421 -5.371 2.950
40 HA LYS 6 HA LYS 6 -1.180 -5.658 5.777
41 HB2 LYS 6 HB3 LYS 6 1.184 -5.089 5.780
42 HB3 LYS 6 HB2 LYS 6 0.914 -3.818 4.603
43 HG2 LYS 6 HG3 LYS 6 -0.491 -2.639 6.277
44 HG3 LYS 6 HG2 LYS 6 -0.032 -3.865 7.458
45 HD2 LYS 6 HD3 LYS 6 2.281 -3.231 7.294
46 HD3 LYS 6 HD2 LYS 6 1.927 -2.132 5.963
47 HE2 LYS 6 HE3 LYS 6 0.839 -1.860 8.759
48 HE3 LYS 6 HE2 LYS 6 2.218 -0.969 8.123
49 HZ1 LYS 6 HZ1 LYS 6 0.163 0.320 8.032
50 HZ2 LYS 6 HZ2 LYS 6 -0.546 -0.844 7.031
51 HZ3 LYS 6 HZ3 LYS 6 0.785 0.053 6.478
52 HA PRO 7 HA PRO 7 -4.312 -2.724 4.431
53 HB2 PRO 7 HB3 PRO 7 -4.982 -1.846 6.960
54 HB3 PRO 7 HB2 PRO 7 -5.658 -3.288 6.198
55 HG2 PRO 7 HG3 PRO 7 -3.452 -3.057 8.199
56 HG3 PRO 7 HG2 PRO 7 -4.740 -4.270 8.083
57 HD2 PRO 7 HD3 PRO 7 -2.221 -4.776 7.275
58 HD3 PRO 7 HD2 PRO 7 -3.630 -5.475 6.452
59 H SER 8 H SER 8 -4.000 -0.674 3.783
60 HA SER 8 HA SER 8 -1.591 0.639 4.263
61 HB2 SER 8 HB2 SER 8 -2.899 1.066 2.255
62 HB3 SER 8 HB3 SER 8 -4.190 1.779 3.221
63 HG SER 8 HG SER 8 -1.521 2.751 3.011
64 H GLY 9 H GLY 9 -0.898 2.065 5.677
65 HA2 GLY 9 HA2 GLY 9 -2.786 3.024 7.734
66 HA3 GLY 9 HA3 GLY 9 -1.045 2.863 7.951
67 H THR 10 H THR 10 -2.041 4.049 4.923
68 HA THR 10 HA THR 10 -1.460 6.808 5.768
69 HB THR 10 HB THR 10 -0.383 7.077 3.473
70 HG1 THR 10 HG1 THR 10 -0.090 4.237 3.630
71 HG21 THR 10 HG21 THR 10 0.928 7.034 5.528
72 HG22 THR 10 HG22 THR 10 1.779 6.189 4.235
73 HG23 THR 10 HG23 THR 10 0.950 5.270 5.492
74 H TRP 11 H TRP 11 -3.253 4.626 3.753
75 HA TRP 11 HA TRP 11 -4.686 6.758 2.406
76 HB2 TRP 11 HB3 TRP 11 -4.076 4.420 1.468
77 HB3 TRP 11 HB2 TRP 11 -5.447 3.851 2.400
78 HD1 TRP 11 HD1 TRP 11 -7.904 4.638 1.537
79 HE1 TRP 11 HE1 TRP 11 -8.714 5.478 -0.744
80 HE3 TRP 11 HE3 TRP 11 -3.376 5.717 -0.578
81 HZ2 TRP 11 HZ2 TRP 11 -7.585 6.446 -3.138
82 HZ3 TRP 11 HZ3 TRP 11 -3.330 6.587 -2.876
83 HH2 TRP 11 HH2 TRP 11 -5.392 6.944 -4.131
84 H SER 12 H SER 12 -7.143 6.517 2.436
85 HA SER 12 HA SER 12 -8.227 5.686 4.997
86 HB2 SER 12 HB2 SER 12 -7.465 8.014 5.389
87 HB3 SER 12 HB3 SER 12 -8.474 8.552 4.050
88 HG SER 12 HG SER 12 -9.198 7.698 6.611
89 H GLY 13 H GLY 13 -10.071 4.666 4.614
90 HA2 GLY 13 HA2 GLY 13 -12.186 4.268 3.794
91 HA3 GLY 13 HA3 GLY 13 -12.092 5.796 2.934
92 H VAL 14 H VAL 14 -13.226 4.561 1.269
93 HA VAL 14 HA VAL 14 -11.954 2.485 -0.165
94 HB VAL 14 HB VAL 14 -14.066 4.429 -1.127
95 HG11 VAL 14 HG21 VAL 14 -13.019 3.182 -2.924
96 HG12 VAL 14 HG22 VAL 14 -14.678 2.641 -2.673
97 HG13 VAL 14 HG23 VAL 14 -13.334 1.670 -2.076
98 HG21 VAL 14 HG13 VAL 14 -14.387 1.766 0.252
99 HG22 VAL 14 HG11 VAL 14 -15.693 2.722 -0.445
100 HG23 VAL 14 HG12 VAL 14 -14.780 3.345 0.929
101 H CYS 15 H CYS 15 -10.762 2.582 -2.074
102 HA CYS 15 HA CYS 15 -9.374 5.114 -2.492
103 HB2 CYS 15 HB3 CYS 15 -7.637 3.880 -3.402
104 HB3 CYS 15 HB2 CYS 15 -8.312 2.723 -2.265
105 H GLY 16 H GLY 16 -8.851 5.699 -4.784
106 HA2 GLY 16 HA2 GLY 16 -11.167 5.166 -6.541
107 HA3 GLY 16 HA3 GLY 16 -10.264 6.676 -6.527
108 H ASN 17 H ASN 17 -7.885 4.644 -6.134
109 HA ASN 17 HA ASN 17 -7.565 3.726 -8.877
110 HB2 ASN 17 HB3 ASN 17 -5.882 5.875 -7.601
111 HB3 ASN 17 HB2 ASN 17 -5.262 4.875 -8.906
112 HD21 ASN 17 HD21 ASN 17 -7.402 7.423 -8.008
113 HD22 ASN 17 HD22 ASN 17 -7.788 7.933 -9.613
114 H ASN 18 H ASN 18 -6.450 1.863 -8.916
115 HA ASN 18 HA ASN 18 -5.451 0.688 -6.527
116 HB2 ASN 18 HB3 ASN 18 -5.341 -0.102 -9.422
117 HB3 ASN 18 HB2 ASN 18 -4.402 -0.981 -8.225
118 HD21 ASN 18 HD21 ASN 18 -5.468 -2.871 -8.316
119 HD22 ASN 18 HD22 ASN 18 -7.125 -3.073 -7.851
120 H GLY 19 H GLY 19 -3.944 2.236 -9.310
121 HA2 GLY 19 HA2 GLY 19 -1.284 1.642 -8.500
122 HA3 GLY 19 HA3 GLY 19 -1.756 2.793 -9.720
123 H ALA 20 H ALA 20 -3.383 4.434 -8.085
124 HA ALA 20 HA ALA 20 -1.464 6.128 -6.892
125 HB1 ALA 20 HB1 ALA 20 -3.308 7.443 -6.115
126 HB2 ALA 20 HB2 ALA 20 -4.422 6.090 -6.291
127 HB3 ALA 20 HB3 ALA 20 -3.720 6.845 -7.723
128 H CYS 21 H CYS 21 -3.678 3.715 -5.595
129 HA CYS 21 HA CYS 21 -2.960 3.940 -2.880
130 HB2 CYS 21 HB3 CYS 21 -4.929 2.716 -3.370
131 HB3 CYS 21 HB2 CYS 21 -4.103 1.701 -4.545
132 H ARG 22 H ARG 22 -1.725 1.913 -5.532
133 HA ARG 22 HA ARG 22 0.105 0.418 -3.996
134 HB2 ARG 22 HB3 ARG 22 -0.575 -0.228 -6.250
135 HB3 ARG 22 HB2 ARG 22 0.174 1.216 -6.912
136 HG2 ARG 22 HG3 ARG 22 2.368 0.363 -6.098
137 HG3 ARG 22 HG2 ARG 22 1.555 -1.142 -5.657
138 HD2 ARG 22 HD3 ARG 22 2.606 -1.311 -7.858
139 HD3 ARG 22 HD2 ARG 22 0.854 -1.449 -7.971
140 HE ARG 22 HE ARG 22 2.091 1.165 -8.418
141 HH11 ARG 22 HH11 ARG 22 0.453 -1.630 -9.752
142 HH12 ARG 22 HH12 ARG 22 0.036 -0.826 -11.231
143 HH21 ARG 22 HH22 ARG 22 1.526 2.218 -10.346
144 HH22 ARG 22 HH21 ARG 22 0.645 1.361 -11.570
145 H ASN 23 H ASN 23 0.543 3.271 -6.007
146 HA ASN 23 HA ASN 23 3.233 3.767 -5.659
147 HB2 ASN 23 HB3 ASN 23 1.805 4.935 -7.268
148 HB3 ASN 23 HB2 ASN 23 0.942 5.722 -5.961
149 HD21 ASN 23 HD21 ASN 23 1.388 7.750 -6.602
150 HD22 ASN 23 HD22 ASN 23 2.961 8.448 -6.532
151 H GLN 24 H GLN 24 0.515 4.921 -3.722
152 HA GLN 24 HA GLN 24 1.957 6.549 -1.959
153 HB2 GLN 24 HB2 GLN 24 -0.561 6.381 -2.218
154 HB3 GLN 24 HB3 GLN 24 -0.484 4.960 -1.194
155 HG2 GLN 24 HG3 GLN 24 0.455 6.262 0.609
156 HG3 GLN 24 HG2 GLN 24 0.482 7.698 -0.416
157 HE21 GLN 24 HE21 GLN 24 -1.487 5.508 1.402
158 HE22 GLN 24 HE22 GLN 24 -2.919 6.478 1.396
159 H CYS 25 H CYS 25 0.938 3.170 -1.609
160 HA CYS 25 HA CYS 25 2.231 2.545 0.779
161 HB2 CYS 25 HB3 CYS 25 1.832 0.802 -1.667
162 HB3 CYS 25 HB2 CYS 25 2.333 0.207 -0.090
163 H ILE 26 H ILE 26 3.539 2.556 -2.538
164 HA ILE 26 HA ILE 26 6.071 1.502 -2.049
165 HB ILE 26 HB ILE 26 5.593 3.811 -3.932
166 HG12 ILE 26 HG13 ILE 26 3.847 2.255 -4.453
167 HG13 ILE 26 HG12 ILE 26 5.097 2.101 -5.682
168 HG21 ILE 26 HG21 ILE 26 7.519 1.499 -3.993
169 HG22 ILE 26 HG22 ILE 26 7.901 3.189 -3.654
170 HG23 ILE 26 HG23 ILE 26 7.349 2.714 -5.262
171 HD11 ILE 26 HD11 ILE 26 5.917 0.093 -4.590
172 HD12 ILE 26 HD12 ILE 26 4.211 -0.047 -5.025
173 HD13 ILE 26 HD13 ILE 26 4.674 0.265 -3.351
174 H ARG 27 H ARG 27 5.032 4.871 -2.093
175 HA ARG 27 HA ARG 27 7.626 5.864 -1.424
176 HB2 ARG 27 HB3 ARG 27 5.061 7.419 -1.266
177 HB3 ARG 27 HB2 ARG 27 6.685 8.030 -1.548
178 HG2 ARG 27 HG3 ARG 27 5.020 6.384 -3.426
179 HG3 ARG 27 HG2 ARG 27 5.454 8.080 -3.583
180 HD2 ARG 27 HD3 ARG 27 7.750 7.541 -3.940
181 HD3 ARG 27 HD2 ARG 27 7.465 5.846 -3.535
182 HE ARG 27 HE ARG 27 5.799 6.559 -5.677
183 HH11 ARG 27 HH11 ARG 27 9.205 6.119 -5.002
184 HH12 ARG 27 HH12 ARG 27 9.581 5.583 -6.609
185 HH21 ARG 27 HH22 ARG 27 6.287 5.876 -7.785
186 HH22 ARG 27 HH21 ARG 27 7.913 5.428 -8.194
187 H LEU 28 H LEU 28 4.511 6.069 0.296
188 HA LEU 28 HA LEU 28 5.769 7.282 2.558
189 HB2 LEU 28 HB3 LEU 28 2.957 6.239 2.248
190 HB3 LEU 28 HB2 LEU 28 3.528 7.279 3.538
191 HG LEU 28 HG LEU 28 3.332 8.014 0.616
192 HD11 LEU 28 HD11 LEU 28 1.770 8.941 3.019
193 HD12 LEU 28 HD12 LEU 28 1.170 7.912 1.718
194 HD13 LEU 28 HD13 LEU 28 1.621 9.584 1.386
195 HD21 LEU 28 HD21 LEU 28 3.960 10.270 1.358
196 HD22 LEU 28 HD22 LEU 28 5.249 9.099 1.629
197 HD23 LEU 28 HD23 LEU 28 4.254 9.642 2.980
198 H GLU 29 H GLU 29 4.241 4.114 1.995
199 HA GLU 29 HA GLU 29 4.979 3.348 4.700
200 HB2 GLU 29 HB2 GLU 29 3.237 2.008 2.640
201 HB3 GLU 29 HB3 GLU 29 3.624 1.289 4.194
202 HG2 GLU 29 HG2 GLU 29 2.723 3.392 5.256
203 HG3 GLU 29 HG3 GLU 29 2.106 3.811 3.661
204 H LYS 30 H LYS 30 6.417 3.338 1.829
205 HA LYS 30 HA LYS 30 8.311 2.403 1.005
206 HB2 LYS 30 HB3 LYS 30 8.576 1.514 3.880
207 HB3 LYS 30 HB2 LYS 30 9.855 1.360 2.682
208 HG2 LYS 30 HG3 LYS 30 10.100 3.690 2.484
209 HG3 LYS 30 HG2 LYS 30 8.573 4.000 3.309
210 HD2 LYS 30 HD3 LYS 30 10.935 2.690 4.638
211 HD3 LYS 30 HD2 LYS 30 10.657 4.431 4.660
212 HE2 LYS 30 HE3 LYS 30 8.737 2.347 5.694
213 HE3 LYS 30 HE2 LYS 30 9.827 3.305 6.692
214 HZ1 LYS 30 HZ1 LYS 30 7.603 4.235 6.673
215 HZ2 LYS 30 HZ2 LYS 30 7.644 4.387 4.990
216 HZ3 LYS 30 HZ3 LYS 30 8.694 5.304 5.945
217 H ALA 31 H ALA 31 5.942 1.017 0.625
218 HA ALA 31 HA ALA 31 6.484 -1.813 1.016
219 HB1 ALA 31 HB1 ALA 31 4.274 -2.173 0.165
220 HB2 ALA 31 HB2 ALA 31 4.185 -0.521 -0.442
221 HB3 ALA 31 HB3 ALA 31 4.200 -0.819 1.297
222 H ARG 32 H ARG 32 6.676 -3.299 -0.704
223 HA ARG 32 HA ARG 32 8.111 -2.244 -2.973
224 HB2 ARG 32 HB3 ARG 32 7.387 -5.084 -2.256
225 HB3 ARG 32 HB2 ARG 32 8.536 -4.591 -3.485
226 HG2 ARG 32 HG3 ARG 32 8.783 -4.140 -0.525
227 HG3 ARG 32 HG2 ARG 32 9.691 -5.298 -1.492
228 HD2 ARG 32 HD3 ARG 32 10.663 -3.430 -2.772
229 HD3 ARG 32 HD2 ARG 32 9.785 -2.297 -1.745
230 HE ARG 32 HE ARG 32 11.604 -4.183 -0.462
231 HH11 ARG 32 HH11 ARG 32 10.922 -0.899 -1.474
232 HH12 ARG 32 HH12 ARG 32 12.155 -0.203 -0.472
233 HH21 ARG 32 HH22 ARG 32 13.239 -3.266 0.841
234 HH22 ARG 32 HH21 ARG 32 13.492 -1.548 0.815
235 H HIS 33 H HIS 33 4.978 -3.464 -2.257
236 HA HIS 33 HA HIS 33 4.051 -2.739 -4.896
237 HB2 HIS 33 HB3 HIS 33 4.713 -5.083 -5.227
238 HB3 HIS 33 HB2 HIS 33 3.746 -5.570 -3.842
239 HD1 HIS 33 HD1 HIS 33 3.194 -3.917 -7.235
240 HD2 HIS 33 HD2 HIS 33 1.271 -6.430 -4.534
241 HE1 HIS 33 HE1 HIS 33 1.026 -4.558 -8.327
242 HE2 HIS 33 HE2 HIS 33 -0.039 -6.213 -6.756
243 H GLY 34 H GLY 34 1.612 -2.863 -4.972
244 HA2 GLY 34 HA2 GLY 34 0.181 -3.291 -2.528
245 HA3 GLY 34 HA3 GLY 34 0.311 -1.589 -2.945
246 H SER 35 H SER 35 -2.145 -2.891 -2.806
247 HA SER 35 HA SER 35 -3.122 -2.340 -5.453
248 HB2 SER 35 HB2 SER 35 -4.183 -4.534 -5.806
249 HB3 SER 35 HB3 SER 35 -2.429 -4.691 -5.723
250 HG SER 35 HG SER 35 -3.557 -4.922 -3.268
251 H CYS 36 H CYS 36 -5.305 -1.860 -5.447
252 HA CYS 36 HA CYS 36 -6.494 -1.467 -2.844
253 HB2 CYS 36 HB3 CYS 36 -6.624 0.129 -4.870
254 HB3 CYS 36 HB2 CYS 36 -7.849 -0.975 -5.486
255 H ASN 37 H ASN 37 -6.581 -3.689 -2.299
256 HA ASN 37 HA ASN 37 -7.845 -5.643 -3.908
257 HB2 ASN 37 HB3 ASN 37 -6.712 -6.943 -2.506
258 HB3 ASN 37 HB2 ASN 37 -6.325 -5.554 -1.498
259 HD21 ASN 37 HD21 ASN 37 -7.728 -5.041 0.210
260 HD22 ASN 37 HD22 ASN 37 -8.586 -6.300 0.990
261 H TYR 38 H TYR 38 -9.755 -6.806 -3.474
262 HA TYR 38 HA TYR 38 -11.862 -5.024 -2.548
263 HB2 TYR 38 HB2 TYR 38 -12.135 -6.117 -4.744
264 HB3 TYR 38 HB3 TYR 38 -12.100 -7.691 -3.953
265 HD1 TYR 38 HD2 TYR 38 -13.904 -4.445 -3.534
266 HD2 TYR 38 HD1 TYR 38 -14.159 -8.685 -3.627
267 HE1 TYR 38 HE2 TYR 38 -16.328 -4.299 -3.161
268 HE2 TYR 38 HE1 TYR 38 -16.584 -8.555 -3.244
269 HH TYR 38 HH TYR 38 -18.250 -7.110 -2.469
270 H VAL 39 H VAL 39 -11.078 -5.327 -0.317
271 HA VAL 39 HA VAL 39 -11.961 -7.762 0.946
272 HB VAL 39 HB VAL 39 -10.181 -6.626 2.073
273 HG11 VAL 39 HG21 VAL 39 -10.395 -4.357 2.981
274 HG12 VAL 39 HG22 VAL 39 -11.963 -4.201 2.189
275 HG13 VAL 39 HG23 VAL 39 -10.500 -4.385 1.220
276 HG21 VAL 39 HG13 VAL 39 -12.736 -6.218 3.622
277 HG22 VAL 39 HG11 VAL 39 -11.113 -6.286 4.310
278 HG23 VAL 39 HG12 VAL 39 -11.801 -7.711 3.529
279 H PHE 40 H PHE 40 -14.015 -8.183 0.740
280 HA PHE 40 HA PHE 40 -16.067 -6.587 0.004
281 HB2 PHE 40 HB2 PHE 40 -16.091 -9.082 0.197
282 HB3 PHE 40 HB3 PHE 40 -16.340 -8.900 1.926
283 HD1 PHE 40 HD1 PHE 40 -17.831 -8.369 -1.382
284 HD2 PHE 40 HD2 PHE 40 -18.487 -8.402 2.818
285 HE1 PHE 40 HE1 PHE 40 -20.256 -8.276 -1.766
286 HE2 PHE 40 HE2 PHE 40 -20.917 -8.312 2.442
287 HZ PHE 40 HZ PHE 40 -21.804 -8.247 0.149
288 HA PRO 41 HA PRO 41 -17.810 -5.910 -0.040
289 HB2 PRO 41 HB3 PRO 41 -19.655 -4.038 0.229
290 HB3 PRO 41 HB2 PRO 41 -19.761 -5.529 1.173
291 HG2 PRO 41 HG3 PRO 41 -18.962 -2.799 2.038
292 HG3 PRO 41 HG2 PRO 41 -19.781 -4.072 2.954
293 HD2 PRO 41 HD3 PRO 41 -16.990 -3.440 2.941
294 HD3 PRO 41 HD2 PRO 41 -17.799 -4.765 3.803
295 H ALA 42 H ALA 42 -15.352 -4.088 0.590
296 HA ALA 42 HA ALA 42 -15.883 -2.150 -1.554
297 HB1 ALA 42 HB1 ALA 42 -14.695 -1.381 1.106
298 HB2 ALA 42 HB2 ALA 42 -16.334 -1.012 0.572
299 HB3 ALA 42 HB3 ALA 42 -14.952 -0.314 -0.274
300 H HIS 43 H HIS 43 -13.946 -1.122 -2.414
301 HA HIS 43 HA HIS 43 -11.607 -2.856 -2.319
302 HB2 HIS 43 HB3 HIS 43 -12.418 -0.539 -4.058
303 HB3 HIS 43 HB2 HIS 43 -10.745 -1.081 -4.017
304 HD1 HIS 43 HD1 HIS 43 -10.158 -3.194 -5.281
305 HD2 HIS 43 HD2 HIS 43 -14.241 -2.402 -5.221
306 HE1 HIS 43 HE1 HIS 43 -11.184 -4.794 -6.926
307 HE2 HIS 43 HE2 HIS 43 -13.665 -4.420 -6.739
308 H LYS 44 H LYS 44 -10.043 -2.510 -0.916
309 HA LYS 44 HA LYS 44 -9.720 0.210 0.166
310 HB2 LYS 44 HB3 LYS 44 -9.502 -2.447 1.580
311 HB3 LYS 44 HB2 LYS 44 -8.909 -0.939 2.267
312 HG2 LYS 44 HG3 LYS 44 -11.739 -1.299 1.367
313 HG3 LYS 44 HG2 LYS 44 -11.207 -1.694 3.001
314 HD2 LYS 44 HD3 LYS 44 -10.548 0.585 3.384
315 HD3 LYS 44 HD2 LYS 44 -10.853 1.004 1.698
316 HE2 LYS 44 HE3 LYS 44 -12.657 1.763 3.175
317 HE3 LYS 44 HE2 LYS 44 -13.221 0.585 1.992
318 HZ1 LYS 44 HZ1 LYS 44 -14.109 0.185 4.221
319 HZ2 LYS 44 HZ2 LYS 44 -12.541 -0.038 4.816
320 HZ3 LYS 44 HZ3 LYS 44 -13.173 -1.114 3.679
321 H CYS 45 H CYS 45 -7.610 0.757 0.876
322 HA CYS 45 HA CYS 45 -5.689 -0.034 -1.106
323 HB2 CYS 45 HB3 CYS 45 -6.023 2.322 -0.207
324 HB3 CYS 45 HB2 CYS 45 -5.201 1.783 1.253
325 H ILE 46 H ILE 46 -4.582 -1.843 -0.901
326 HA ILE 46 HA ILE 46 -3.646 -2.620 1.778
327 HB ILE 46 HB ILE 46 -4.484 -4.420 -0.508
328 HG12 ILE 46 HG13 ILE 46 -6.374 -3.556 0.739
329 HG13 ILE 46 HG12 ILE 46 -6.137 -5.261 1.104
330 HG21 ILE 46 HG21 ILE 46 -3.277 -5.138 2.153
331 HG22 ILE 46 HG22 ILE 46 -2.538 -5.362 0.565
332 HG23 ILE 46 HG23 ILE 46 -3.977 -6.284 1.009
333 HD11 ILE 46 HD11 ILE 46 -5.001 -4.610 3.193
334 HD12 ILE 46 HD12 ILE 46 -6.688 -4.104 3.106
335 HD13 ILE 46 HD13 ILE 46 -5.404 -2.928 2.838
336 H CYS 47 H CYS 47 -1.547 -2.426 1.986
337 HA CYS 47 HA CYS 47 0.181 -2.226 -0.344
338 HB2 CYS 47 HB3 CYS 47 0.939 -2.049 2.577
339 HB3 CYS 47 HB2 CYS 47 1.866 -1.468 1.201
340 H TYR 48 H TYR 48 2.074 -3.549 -0.616
341 HA TYR 48 HA TYR 48 1.869 -6.175 0.710
342 HB2 TYR 48 HB2 TYR 48 2.762 -5.440 -2.070
343 HB3 TYR 48 HB3 TYR 48 3.111 -7.006 -1.353
344 HD1 TYR 48 HD1 TYR 48 0.060 -4.859 -1.384
345 HD2 TYR 48 HD2 TYR 48 1.795 -8.613 -2.341
346 HE1 TYR 48 HE1 TYR 48 -2.111 -5.639 -2.171
347 HE2 TYR 48 HE2 TYR 48 -0.384 -9.427 -3.118
348 HH TYR 48 HH TYR 48 -3.030 -7.323 -3.665
349 H PHE 49 H PHE 49 3.537 -6.889 1.824
350 HA PHE 49 HA PHE 49 6.141 -5.560 1.485
351 HB2 PHE 49 HB2 PHE 49 4.780 -6.380 4.059
352 HB3 PHE 49 HB3 PHE 49 6.452 -5.841 3.950
353 HD1 PHE 49 HD2 PHE 49 6.975 -3.527 3.406
354 HD2 PHE 49 HD1 PHE 49 2.954 -4.824 3.904
355 HE1 PHE 49 HE2 PHE 49 6.246 -1.189 3.602
356 HE2 PHE 49 HE1 PHE 49 2.221 -2.494 4.093
357 HZ PHE 49 HZ PHE 49 3.866 -0.669 3.947
358 HA PRO 50 HA PRO 50 7.873 -9.573 0.775
359 HB2 PRO 50 HB3 PRO 50 10.072 -8.570 2.522
360 HB3 PRO 50 HB2 PRO 50 10.153 -9.316 0.921
361 HG2 PRO 50 HG3 PRO 50 10.468 -6.699 1.184
362 HG3 PRO 50 HG2 PRO 50 9.529 -7.356 -0.167
363 HD2 PRO 50 HD3 PRO 50 8.577 -6.046 2.346
364 HD3 PRO 50 HD2 PRO 50 7.929 -5.934 0.697
365 H CYS 51 H CYS 51 7.132 -11.285 1.766
366 HA CYS 51 HA CYS 51 6.910 -11.295 4.682
367 HB2 CYS 51 HB3 CYS 51 5.050 -11.926 2.942
368 HB3 CYS 51 HB2 CYS 51 5.875 -13.480 2.917
Start of MODEL 6
1 HA PCA 1 HA PCA 1 4.773 -18.650 -0.586
2 HB2 PCA 1 HB2 PCA 1 3.254 -19.760 -1.831
3 HB3 PCA 1 HB3 PCA 1 2.388 -18.267 -2.213
4 HG2 PCA 1 HG2 PCA 1 0.816 -18.833 -0.658
5 H ARG 2 H ARG 2 2.270 -16.278 -1.582
6 HA ARG 2 HA ARG 2 4.249 -14.830 -3.127
7 HB2 ARG 2 HB3 ARG 2 2.449 -13.520 -3.960
8 HB3 ARG 2 HB2 ARG 2 1.830 -15.160 -3.845
9 HG2 ARG 2 HG3 ARG 2 0.609 -14.631 -1.859
10 HG3 ARG 2 HG2 ARG 2 1.372 -13.046 -1.754
11 HD2 ARG 2 HD3 ARG 2 0.321 -12.468 -3.936
12 HD3 ARG 2 HD2 ARG 2 -0.544 -14.003 -3.875
13 HE ARG 2 HE ARG 2 -0.931 -12.415 -1.522
14 HH11 ARG 2 HH11 ARG 2 -2.023 -12.937 -4.804
15 HH12 ARG 2 HH12 ARG 2 -3.586 -12.236 -4.532
16 HH21 ARG 2 HH22 ARG 2 -3.001 -11.473 -1.157
17 HH22 ARG 2 HH21 ARG 2 -4.143 -11.425 -2.466
18 H LEU 3 H LEU 3 3.682 -12.225 -2.849
19 HA LEU 3 HA LEU 3 4.881 -11.305 -0.524
20 HB2 LEU 3 HB3 LEU 3 2.864 -9.969 -2.317
21 HB3 LEU 3 HB2 LEU 3 3.706 -9.144 -1.020
22 HG LEU 3 HG LEU 3 5.235 -10.509 -3.215
23 HD11 LEU 3 HD11 LEU 3 5.294 -8.389 -4.415
24 HD12 LEU 3 HD12 LEU 3 4.180 -7.685 -3.244
25 HD13 LEU 3 HD13 LEU 3 3.643 -8.997 -4.292
26 HD21 LEU 3 HD21 LEU 3 6.465 -9.811 -1.226
27 HD22 LEU 3 HD22 LEU 3 5.834 -8.173 -1.401
28 HD23 LEU 3 HD23 LEU 3 6.919 -8.835 -2.622
29 H CYS 4 H CYS 4 3.898 -10.030 1.245
30 HA CYS 4 HA CYS 4 1.346 -11.234 2.057
31 HB2 CYS 4 HB3 CYS 4 3.747 -10.511 3.745
32 HB3 CYS 4 HB2 CYS 4 2.204 -11.080 4.389
33 H GLU 5 H GLU 5 -0.249 -9.880 2.225
34 HA GLU 5 HA GLU 5 0.205 -7.105 1.762
35 HB2 GLU 5 HB2 GLU 5 -2.444 -8.344 2.464
36 HB3 GLU 5 HB3 GLU 5 -2.126 -6.908 1.501
37 HG2 GLU 5 HG2 GLU 5 -2.592 -8.335 -0.176
38 HG3 GLU 5 HG3 GLU 5 -0.869 -8.664 -0.025
39 H LYS 6 H LYS 6 -0.388 -5.367 2.992
40 HA LYS 6 HA LYS 6 -1.059 -5.784 5.816
41 HB2 LYS 6 HB3 LYS 6 1.483 -5.467 5.331
42 HB3 LYS 6 HB2 LYS 6 1.051 -3.807 4.979
43 HG2 LYS 6 HG3 LYS 6 0.287 -5.058 7.582
44 HG3 LYS 6 HG2 LYS 6 1.901 -4.408 7.326
45 HD2 LYS 6 HD3 LYS 6 0.861 -2.238 6.694
46 HD3 LYS 6 HD2 LYS 6 -0.709 -2.916 7.127
47 HE2 LYS 6 HE3 LYS 6 1.643 -2.687 8.996
48 HE3 LYS 6 HE2 LYS 6 0.308 -1.541 8.925
49 HZ1 LYS 6 HZ1 LYS 6 -0.007 -4.430 9.525
50 HZ2 LYS 6 HZ2 LYS 6 -1.203 -3.236 9.616
51 HZ3 LYS 6 HZ3 LYS 6 0.092 -3.219 10.700
52 HA PRO 7 HA PRO 7 -4.097 -2.742 4.566
53 HB2 PRO 7 HB3 PRO 7 -4.589 -1.833 7.160
54 HB3 PRO 7 HB2 PRO 7 -5.433 -3.151 6.347
55 HG2 PRO 7 HG3 PRO 7 -3.194 -3.257 8.311
56 HG3 PRO 7 HG2 PRO 7 -4.569 -4.358 8.111
57 HD2 PRO 7 HD3 PRO 7 -2.113 -5.016 7.269
58 HD3 PRO 7 HD2 PRO 7 -3.562 -5.499 6.362
59 H SER 8 H SER 8 -3.688 -0.801 3.761
60 HA SER 8 HA SER 8 -1.367 0.652 4.295
61 HB2 SER 8 HB2 SER 8 -2.532 0.889 2.181
62 HB3 SER 8 HB3 SER 8 -3.953 1.539 2.998
63 HG SER 8 HG SER 8 -1.370 2.735 2.936
64 H GLY 9 H GLY 9 -0.888 2.359 5.542
65 HA2 GLY 9 HA2 GLY 9 -2.960 3.224 7.465
66 HA3 GLY 9 HA3 GLY 9 -1.236 3.184 7.811
67 H THR 10 H THR 10 -1.974 4.180 4.676
68 HA THR 10 HA THR 10 -1.635 7.002 5.455
69 HB THR 10 HB THR 10 -0.487 7.284 3.231
70 HG1 THR 10 HG1 THR 10 -0.175 4.447 3.297
71 HG21 THR 10 HG21 THR 10 0.792 7.160 5.310
72 HG22 THR 10 HG22 THR 10 1.660 6.375 3.990
73 HG23 THR 10 HG23 THR 10 0.821 5.400 5.196
74 H TRP 11 H TRP 11 -3.871 5.002 4.601
75 HA TRP 11 HA TRP 11 -5.122 6.761 2.602
76 HB2 TRP 11 HB3 TRP 11 -4.294 4.370 1.928
77 HB3 TRP 11 HB2 TRP 11 -5.728 3.827 2.773
78 HD1 TRP 11 HD1 TRP 11 -8.122 4.548 1.648
79 HE1 TRP 11 HE1 TRP 11 -8.715 5.127 -0.783
80 HE3 TRP 11 HE3 TRP 11 -3.410 5.391 -0.159
81 HZ2 TRP 11 HZ2 TRP 11 -7.371 5.819 -3.154
82 HZ3 TRP 11 HZ3 TRP 11 -3.153 5.997 -2.524
83 HH2 TRP 11 HH2 TRP 11 -5.095 6.207 -3.996
84 H SER 12 H SER 12 -7.562 6.316 2.583
85 HA SER 12 HA SER 12 -8.828 5.355 4.936
86 HB2 SER 12 HB2 SER 12 -7.832 7.580 5.701
87 HB3 SER 12 HB3 SER 12 -8.958 8.357 4.591
88 HG SER 12 HG SER 12 -9.715 6.575 6.669
89 H GLY 13 H GLY 13 -11.190 5.604 4.798
90 HA2 GLY 13 HA2 GLY 13 -13.186 5.726 3.655
91 HA3 GLY 13 HA3 GLY 13 -12.387 6.749 2.469
92 H VAL 14 H VAL 14 -13.786 5.472 0.981
93 HA VAL 14 HA VAL 14 -12.969 2.761 0.458
94 HB VAL 14 HB VAL 14 -14.820 4.600 -1.068
95 HG11 VAL 14 HG21 VAL 14 -13.882 2.876 -2.492
96 HG12 VAL 14 HG22 VAL 14 -15.594 2.580 -2.187
97 HG13 VAL 14 HG23 VAL 14 -14.369 1.641 -1.333
98 HG21 VAL 14 HG13 VAL 14 -15.648 4.096 1.164
99 HG22 VAL 14 HG11 VAL 14 -15.410 2.372 0.877
100 HG23 VAL 14 HG12 VAL 14 -16.613 3.263 -0.054
101 H CYS 15 H CYS 15 -11.466 2.148 -0.962
102 HA CYS 15 HA CYS 15 -9.839 4.182 -2.205
103 HB2 CYS 15 HB3 CYS 15 -8.530 2.527 -1.269
104 HB3 CYS 15 HB2 CYS 15 -9.612 1.233 -1.762
105 H GLY 16 H GLY 16 -9.741 4.705 -4.287
106 HA2 GLY 16 HA2 GLY 16 -11.629 3.355 -6.105
107 HA3 GLY 16 HA3 GLY 16 -11.126 5.039 -6.228
108 H ASN 17 H ASN 17 -8.300 4.205 -5.670
109 HA ASN 17 HA ASN 17 -7.736 3.412 -8.444
110 HB2 ASN 17 HB3 ASN 17 -6.600 5.743 -6.898
111 HB3 ASN 17 HB2 ASN 17 -5.982 5.204 -8.456
112 HD21 ASN 17 HD21 ASN 17 -8.613 6.663 -6.760
113 HD22 ASN 17 HD22 ASN 17 -9.421 7.298 -8.140
114 H ASN 18 H ASN 18 -6.516 1.676 -8.474
115 HA ASN 18 HA ASN 18 -5.161 0.744 -6.144
116 HB2 ASN 18 HB3 ASN 18 -4.499 -1.166 -7.495
117 HB3 ASN 18 HB2 ASN 18 -6.207 -0.819 -7.715
118 HD21 ASN 18 HD21 ASN 18 -4.248 -2.248 -9.390
119 HD22 ASN 18 HD22 ASN 18 -4.317 -1.480 -10.937
120 H GLY 19 H GLY 19 -4.141 2.362 -9.070
121 HA2 GLY 19 HA2 GLY 19 -1.375 1.836 -8.764
122 HA3 GLY 19 HA3 GLY 19 -2.070 3.097 -9.742
123 H ALA 20 H ALA 20 -3.244 4.766 -8.103
124 HA ALA 20 HA ALA 20 -1.246 6.208 -6.787
125 HB1 ALA 20 HB1 ALA 20 -3.076 7.470 -5.745
126 HB2 ALA 20 HB2 ALA 20 -4.225 6.230 -6.251
127 HB3 ALA 20 HB3 ALA 20 -3.383 7.198 -7.460
128 H CYS 21 H CYS 21 -3.517 3.780 -5.611
129 HA CYS 21 HA CYS 21 -2.822 3.818 -2.896
130 HB2 CYS 21 HB3 CYS 21 -4.770 2.604 -3.576
131 HB3 CYS 21 HB2 CYS 21 -3.835 1.600 -4.678
132 H ARG 22 H ARG 22 -1.492 1.948 -5.633
133 HA ARG 22 HA ARG 22 0.320 0.432 -4.077
134 HB2 ARG 22 HB3 ARG 22 -0.296 -0.133 -6.415
135 HB3 ARG 22 HB2 ARG 22 0.581 1.286 -6.972
136 HG2 ARG 22 HG3 ARG 22 2.650 0.330 -6.004
137 HG3 ARG 22 HG2 ARG 22 1.743 -1.127 -5.601
138 HD2 ARG 22 HD3 ARG 22 2.924 -1.491 -7.659
139 HD3 ARG 22 HD2 ARG 22 1.201 -1.397 -8.004
140 HE ARG 22 HE ARG 22 1.544 0.763 -8.949
141 HH11 ARG 22 HH11 ARG 22 4.498 -0.916 -8.105
142 HH12 ARG 22 HH12 ARG 22 5.495 0.054 -9.138
143 HH21 ARG 22 HH22 ARG 22 2.857 2.046 -10.306
144 HH22 ARG 22 HH21 ARG 22 4.560 1.739 -10.391
145 H ASN 23 H ASN 23 0.658 3.393 -5.922
146 HA ASN 23 HA ASN 23 3.369 3.878 -5.499
147 HB2 ASN 23 HB3 ASN 23 1.960 4.996 -7.185
148 HB3 ASN 23 HB2 ASN 23 1.111 5.850 -5.910
149 HD21 ASN 23 HD21 ASN 23 1.642 7.830 -6.695
150 HD22 ASN 23 HD22 ASN 23 3.236 8.479 -6.607
151 H GLN 24 H GLN 24 0.540 4.991 -3.680
152 HA GLN 24 HA GLN 24 1.886 6.552 -1.789
153 HB2 GLN 24 HB2 GLN 24 -0.761 5.296 -1.972
154 HB3 GLN 24 HB3 GLN 24 -0.195 5.518 -0.326
155 HG2 GLN 24 HG3 GLN 24 0.346 7.923 -1.077
156 HG3 GLN 24 HG2 GLN 24 -0.730 7.571 -2.427
157 HE21 GLN 24 HE21 GLN 24 -1.143 6.274 0.804
158 HE22 GLN 24 HE22 GLN 24 -2.577 7.162 1.179
159 H CYS 25 H CYS 25 1.048 3.101 -1.677
160 HA CYS 25 HA CYS 25 2.292 2.514 0.767
161 HB2 CYS 25 HB3 CYS 25 1.866 0.805 -1.692
162 HB3 CYS 25 HB2 CYS 25 2.459 0.181 -0.158
163 H ILE 26 H ILE 26 3.633 2.647 -2.535
164 HA ILE 26 HA ILE 26 6.177 1.614 -2.001
165 HB ILE 26 HB ILE 26 5.688 3.903 -3.908
166 HG12 ILE 26 HG13 ILE 26 4.006 2.288 -4.464
167 HG13 ILE 26 HG12 ILE 26 5.296 2.156 -5.653
168 HG21 ILE 26 HG21 ILE 26 7.677 1.644 -3.906
169 HG22 ILE 26 HG22 ILE 26 8.007 3.341 -3.558
170 HG23 ILE 26 HG23 ILE 26 7.510 2.852 -5.179
171 HD11 ILE 26 HD11 ILE 26 4.463 -0.010 -4.990
172 HD12 ILE 26 HD12 ILE 26 4.860 0.344 -3.307
173 HD13 ILE 26 HD13 ILE 26 6.148 0.192 -4.503
174 H ARG 27 H ARG 27 5.146 4.989 -2.139
175 HA ARG 27 HA ARG 27 7.696 5.992 -1.320
176 HB2 ARG 27 HB3 ARG 27 5.051 7.447 -1.397
177 HB3 ARG 27 HB2 ARG 27 6.648 8.177 -1.383
178 HG2 ARG 27 HG3 ARG 27 7.104 7.170 -3.579
179 HG3 ARG 27 HG2 ARG 27 5.466 6.504 -3.580
180 HD2 ARG 27 HD3 ARG 27 5.542 8.553 -4.881
181 HD3 ARG 27 HD2 ARG 27 4.555 8.778 -3.438
182 HE ARG 27 HE ARG 27 7.359 9.617 -3.349
183 HH11 ARG 27 HH11 ARG 27 3.961 10.491 -3.440
184 HH12 ARG 27 HH12 ARG 27 4.249 12.149 -3.034
185 HH21 ARG 27 HH22 ARG 27 7.735 11.808 -2.827
186 HH22 ARG 27 HH21 ARG 27 6.393 12.901 -2.691
187 H LEU 28 H LEU 28 4.495 6.100 0.218
188 HA LEU 28 HA LEU 28 5.566 7.411 2.523
189 HB2 LEU 28 HB3 LEU 28 2.827 6.219 2.117
190 HB3 LEU 28 HB2 LEU 28 3.289 7.365 3.362
191 HG LEU 28 HG LEU 28 3.294 7.948 0.398
192 HD11 LEU 28 HD11 LEU 28 1.032 7.640 1.227
193 HD12 LEU 28 HD12 LEU 28 1.342 9.344 0.889
194 HD13 LEU 28 HD13 LEU 28 1.349 8.758 2.553
195 HD21 LEU 28 HD21 LEU 28 4.940 9.260 1.607
196 HD22 LEU 28 HD22 LEU 28 3.721 9.732 2.791
197 HD23 LEU 28 HD23 LEU 28 3.584 10.276 1.118
198 H GLU 29 H GLU 29 4.477 4.113 1.820
199 HA GLU 29 HA GLU 29 5.085 3.439 4.605
200 HB2 GLU 29 HB2 GLU 29 3.292 1.998 2.652
201 HB3 GLU 29 HB3 GLU 29 3.602 1.490 4.303
202 HG2 GLU 29 HG2 GLU 29 2.786 3.786 5.012
203 HG3 GLU 29 HG3 GLU 29 2.193 3.959 3.365
204 H LYS 30 H LYS 30 6.567 3.400 1.803
205 HA LYS 30 HA LYS 30 8.406 2.377 0.960
206 HB2 LYS 30 HB3 LYS 30 8.669 1.324 3.777
207 HB3 LYS 30 HB2 LYS 30 9.944 1.335 2.565
208 HG2 LYS 30 HG3 LYS 30 9.878 3.780 2.520
209 HG3 LYS 30 HG2 LYS 30 8.607 3.764 3.744
210 HD2 LYS 30 HD3 LYS 30 11.386 2.640 4.095
211 HD3 LYS 30 HD2 LYS 30 10.835 4.202 4.703
212 HE2 LYS 30 HE3 LYS 30 9.198 3.102 6.116
213 HE3 LYS 30 HE2 LYS 30 9.653 1.531 5.460
214 HZ1 LYS 30 HZ1 LYS 30 10.691 1.890 7.586
215 HZ2 LYS 30 HZ2 LYS 30 11.395 3.329 7.052
216 HZ3 LYS 30 HZ3 LYS 30 11.876 1.853 6.383
217 H ALA 31 H ALA 31 5.908 0.978 0.715
218 HA ALA 31 HA ALA 31 6.443 -1.832 1.089
219 HB1 ALA 31 HB1 ALA 31 4.222 -0.562 -0.499
220 HB2 ALA 31 HB2 ALA 31 4.167 -0.790 1.249
221 HB3 ALA 31 HB3 ALA 31 4.265 -2.191 0.178
222 H ARG 32 H ARG 32 6.706 -3.358 -0.557
223 HA ARG 32 HA ARG 32 8.276 -2.442 -2.782
224 HB2 ARG 32 HB3 ARG 32 7.274 -5.225 -2.150
225 HB3 ARG 32 HB2 ARG 32 8.551 -4.808 -3.275
226 HG2 ARG 32 HG3 ARG 32 8.661 -4.323 -0.311
227 HG3 ARG 32 HG2 ARG 32 9.376 -5.709 -1.134
228 HD2 ARG 32 HD3 ARG 32 10.773 -4.159 -2.455
229 HD3 ARG 32 HD2 ARG 32 10.098 -2.809 -1.544
230 HE ARG 32 HE ARG 32 11.135 -4.686 0.261
231 HH11 ARG 32 HH11 ARG 32 12.264 -2.403 -2.140
232 HH12 ARG 32 HH12 ARG 32 13.789 -2.148 -1.362
233 HH21 ARG 32 HH22 ARG 32 13.139 -4.345 1.286
234 HH22 ARG 32 HH21 ARG 32 14.292 -3.257 0.584
235 H HIS 33 H HIS 33 5.045 -3.557 -2.210
236 HA HIS 33 HA HIS 33 4.223 -2.715 -4.851
237 HB2 HIS 33 HB3 HIS 33 4.860 -5.079 -5.199
238 HB3 HIS 33 HB2 HIS 33 3.790 -5.566 -3.893
239 HD1 HIS 33 HD1 HIS 33 3.589 -3.975 -7.351
240 HD2 HIS 33 HD2 HIS 33 1.264 -6.175 -4.691
241 HE1 HIS 33 HE1 HIS 33 1.452 -4.485 -8.576
242 HE2 HIS 33 HE2 HIS 33 0.151 -5.980 -7.014
243 H GLY 34 H GLY 34 1.761 -2.808 -4.987
244 HA2 GLY 34 HA2 GLY 34 0.317 -3.139 -2.519
245 HA3 GLY 34 HA3 GLY 34 0.458 -1.464 -3.029
246 H SER 35 H SER 35 -2.027 -2.613 -2.833
247 HA SER 35 HA SER 35 -2.970 -2.384 -5.541
248 HB2 SER 35 HB2 SER 35 -2.204 -4.820 -5.240
249 HB3 SER 35 HB3 SER 35 -3.559 -4.987 -4.127
250 HG SER 35 HG SER 35 -4.972 -4.595 -5.783
251 H CYS 36 H CYS 36 -5.281 -2.217 -5.634
252 HA CYS 36 HA CYS 36 -6.451 -1.375 -3.099
253 HB2 CYS 36 HB3 CYS 36 -6.623 0.042 -5.175
254 HB3 CYS 36 HB2 CYS 36 -7.650 -1.205 -5.872
255 H ASN 37 H ASN 37 -6.423 -3.574 -2.353
256 HA ASN 37 HA ASN 37 -7.620 -5.714 -3.718
257 HB2 ASN 37 HB3 ASN 37 -6.469 -6.787 -2.148
258 HB3 ASN 37 HB2 ASN 37 -6.221 -5.291 -1.259
259 HD21 ASN 37 HD21 ASN 37 -7.742 -4.716 0.328
260 HD22 ASN 37 HD22 ASN 37 -8.604 -5.943 1.149
261 H TYR 38 H TYR 38 -9.476 -6.907 -3.187
262 HA TYR 38 HA TYR 38 -11.702 -5.140 -2.497
263 HB2 TYR 38 HB2 TYR 38 -11.829 -6.300 -4.657
264 HB3 TYR 38 HB3 TYR 38 -11.720 -7.853 -3.831
265 HD1 TYR 38 HD1 TYR 38 -13.767 -4.737 -3.669
266 HD2 TYR 38 HD2 TYR 38 -13.697 -8.980 -3.473
267 HE1 TYR 38 HE1 TYR 38 -16.209 -4.759 -3.421
268 HE2 TYR 38 HE2 TYR 38 -16.139 -9.018 -3.222
269 HH TYR 38 HH TYR 38 -18.091 -6.386 -3.879
270 H VAL 39 H VAL 39 -11.100 -5.302 -0.213
271 HA VAL 39 HA VAL 39 -11.829 -7.751 1.116
272 HB VAL 39 HB VAL 39 -10.242 -6.341 2.255
273 HG11 VAL 39 HG21 VAL 39 -10.801 -4.108 3.085
274 HG12 VAL 39 HG22 VAL 39 -12.352 -4.191 2.250
275 HG13 VAL 39 HG23 VAL 39 -10.851 -4.188 1.324
276 HG21 VAL 39 HG13 VAL 39 -11.330 -6.068 4.441
277 HG22 VAL 39 HG11 VAL 39 -11.725 -7.611 3.684
278 HG23 VAL 39 HG12 VAL 39 -12.901 -6.296 3.672
279 H PHE 40 H PHE 40 -13.829 -8.406 0.861
280 HA PHE 40 HA PHE 40 -15.937 -7.027 -0.167
281 HB2 PHE 40 HB2 PHE 40 -15.793 -9.491 0.053
282 HB3 PHE 40 HB3 PHE 40 -16.125 -9.334 1.770
283 HD1 PHE 40 HD1 PHE 40 -17.551 -8.906 -1.599
284 HD2 PHE 40 HD2 PHE 40 -18.332 -9.078 2.581
285 HE1 PHE 40 HE1 PHE 40 -19.962 -9.042 -2.059
286 HE2 PHE 40 HE2 PHE 40 -20.744 -9.214 2.125
287 HZ PHE 40 HZ PHE 40 -21.563 -9.195 -0.195
288 HA PRO 41 HA PRO 41 -17.651 -6.481 -0.440
289 HB2 PRO 41 HB3 PRO 41 -19.717 -4.839 -0.430
290 HB3 PRO 41 HB2 PRO 41 -19.774 -6.327 0.525
291 HG2 PRO 41 HG3 PRO 41 -19.376 -3.516 1.424
292 HG3 PRO 41 HG2 PRO 41 -20.187 -4.855 2.253
293 HD2 PRO 41 HD3 PRO 41 -17.495 -3.955 2.606
294 HD3 PRO 41 HD2 PRO 41 -18.276 -5.359 3.362
295 H ALA 42 H ALA 42 -15.500 -4.483 0.476
296 HA ALA 42 HA ALA 42 -16.020 -2.423 -1.563
297 HB1 ALA 42 HB1 ALA 42 -14.917 -1.866 1.183
298 HB2 ALA 42 HB2 ALA 42 -16.567 -1.529 0.665
299 HB3 ALA 42 HB3 ALA 42 -15.217 -0.683 -0.090
300 H HIS 43 H HIS 43 -14.019 -1.119 -2.037
301 HA HIS 43 HA HIS 43 -11.675 -2.876 -2.097
302 HB2 HIS 43 HB3 HIS 43 -12.501 -0.503 -3.744
303 HB3 HIS 43 HB2 HIS 43 -10.819 -1.018 -3.695
304 HD1 HIS 43 HD1 HIS 43 -10.184 -3.129 -4.980
305 HD2 HIS 43 HD2 HIS 43 -14.260 -2.298 -5.048
306 HE1 HIS 43 HE1 HIS 43 -11.163 -4.672 -6.706
307 HE2 HIS 43 HE2 HIS 43 -13.605 -4.060 -6.826
308 H LYS 44 H LYS 44 -9.910 -2.459 -0.970
309 HA LYS 44 HA LYS 44 -9.669 0.159 0.350
310 HB2 LYS 44 HB3 LYS 44 -9.501 -2.586 1.533
311 HB3 LYS 44 HB2 LYS 44 -8.541 -1.285 2.223
312 HG2 LYS 44 HG3 LYS 44 -11.511 -1.095 1.835
313 HG3 LYS 44 HG2 LYS 44 -10.766 -1.710 3.314
314 HD2 LYS 44 HD3 LYS 44 -9.525 0.433 3.506
315 HD3 LYS 44 HD2 LYS 44 -10.415 1.033 2.107
316 HE2 LYS 44 HE3 LYS 44 -12.504 0.826 3.294
317 HE3 LYS 44 HE2 LYS 44 -11.687 0.078 4.666
318 HZ1 LYS 44 HZ1 LYS 44 -12.160 2.430 5.037
319 HZ2 LYS 44 HZ2 LYS 44 -11.208 2.844 3.700
320 HZ3 LYS 44 HZ3 LYS 44 -10.496 2.121 5.056
321 H CYS 45 H CYS 45 -7.576 0.890 0.697
322 HA CYS 45 HA CYS 45 -5.670 -0.027 -1.233
323 HB2 CYS 45 HB3 CYS 45 -5.935 2.378 -0.557
324 HB3 CYS 45 HB2 CYS 45 -5.238 1.961 1.006
325 H ILE 46 H ILE 46 -4.330 -1.663 -0.943
326 HA ILE 46 HA ILE 46 -3.554 -2.370 1.802
327 HB ILE 46 HB ILE 46 -4.465 -4.237 -0.395
328 HG12 ILE 46 HG13 ILE 46 -6.271 -3.234 0.903
329 HG13 ILE 46 HG12 ILE 46 -6.126 -4.954 1.250
330 HG21 ILE 46 HG21 ILE 46 -3.980 -6.073 1.152
331 HG22 ILE 46 HG22 ILE 46 -3.209 -4.926 2.250
332 HG23 ILE 46 HG23 ILE 46 -2.524 -5.211 0.647
333 HD11 ILE 46 HD11 ILE 46 -6.544 -3.796 3.283
334 HD12 ILE 46 HD12 ILE 46 -5.225 -2.669 2.972
335 HD13 ILE 46 HD13 ILE 46 -4.874 -4.366 3.307
336 H CYS 47 H CYS 47 -1.446 -2.288 2.050
337 HA CYS 47 HA CYS 47 0.307 -2.140 -0.248
338 HB2 CYS 47 HB3 CYS 47 1.023 -2.053 2.693
339 HB3 CYS 47 HB2 CYS 47 2.024 -1.529 1.346
340 H TYR 48 H TYR 48 2.098 -3.537 -0.593
341 HA TYR 48 HA TYR 48 1.763 -6.191 0.638
342 HB2 TYR 48 HB2 TYR 48 2.723 -5.389 -2.102
343 HB3 TYR 48 HB3 TYR 48 2.975 -7.002 -1.449
344 HD1 TYR 48 HD2 TYR 48 0.016 -4.726 -1.337
345 HD2 TYR 48 HD1 TYR 48 1.612 -8.452 -2.591
346 HE1 TYR 48 HE2 TYR 48 -2.186 -5.369 -2.170
347 HE2 TYR 48 HE1 TYR 48 -0.590 -9.128 -3.415
348 HH TYR 48 HH TYR 48 -2.917 -8.589 -3.152
349 H PHE 49 H PHE 49 3.290 -6.792 1.963
350 HA PHE 49 HA PHE 49 6.034 -5.855 1.468
351 HB2 PHE 49 HB2 PHE 49 4.767 -6.488 4.138
352 HB3 PHE 49 HB3 PHE 49 6.440 -6.016 3.889
353 HD1 PHE 49 HD1 PHE 49 7.021 -3.741 3.309
354 HD2 PHE 49 HD2 PHE 49 2.983 -4.866 4.023
355 HE1 PHE 49 HE1 PHE 49 6.397 -1.369 3.521
356 HE2 PHE 49 HE2 PHE 49 2.352 -2.508 4.240
357 HZ PHE 49 HZ PHE 49 4.056 -0.744 3.983
358 HA PRO 50 HA PRO 50 6.897 -10.149 0.887
359 HB2 PRO 50 HB3 PRO 50 9.632 -9.531 1.743
360 HB3 PRO 50 HB2 PRO 50 9.041 -10.154 0.203
361 HG2 PRO 50 HG3 PRO 50 9.961 -7.630 0.496
362 HG3 PRO 50 HG2 PRO 50 8.691 -8.055 -0.663
363 HD2 PRO 50 HD3 PRO 50 8.458 -6.710 1.998
364 HD3 PRO 50 HD2 PRO 50 7.526 -6.458 0.509
365 H CYS 51 H CYS 51 6.216 -11.544 2.370
366 HA CYS 51 HA CYS 51 7.726 -11.584 4.890
367 HB2 CYS 51 HB3 CYS 51 5.913 -11.842 6.218
368 HB3 CYS 51 HB2 CYS 51 5.125 -10.983 4.909
Start of MODEL 7
1 HA PCA 1 HA PCA 1 6.601 -17.204 -0.288
2 HB2 PCA 1 HB2 PCA 1 8.722 -17.453 0.426
3 HB3 PCA 1 HB3 PCA 1 9.264 -16.352 -0.845
4 HG2 PCA 1 HG2 PCA 1 10.049 -18.101 -2.070
5 H ARG 2 H ARG 2 5.106 -15.845 -1.478
6 HA ARG 2 HA ARG 2 6.381 -13.688 -2.997
7 HB2 ARG 2 HB3 ARG 2 4.160 -13.085 -3.750
8 HB3 ARG 2 HB2 ARG 2 4.458 -14.786 -4.058
9 HG2 ARG 2 HG3 ARG 2 3.039 -15.449 -2.283
10 HG3 ARG 2 HG2 ARG 2 2.939 -13.800 -1.660
11 HD2 ARG 2 HD3 ARG 2 0.911 -14.434 -2.883
12 HD3 ARG 2 HD2 ARG 2 1.756 -13.091 -3.657
13 HE ARG 2 HE ARG 2 2.456 -15.681 -4.711
14 HH11 ARG 2 HH11 ARG 2 0.221 -12.997 -4.928
15 HH12 ARG 2 HH12 ARG 2 -0.211 -13.326 -6.576
16 HH21 ARG 2 HH22 ARG 2 1.890 -16.121 -6.873
17 HH22 ARG 2 HH21 ARG 2 0.727 -15.118 -7.680
18 H LEU 3 H LEU 3 4.466 -11.752 -2.571
19 HA LEU 3 HA LEU 3 5.411 -10.567 -0.167
20 HB2 LEU 3 HB3 LEU 3 3.213 -9.768 -2.064
21 HB3 LEU 3 HB2 LEU 3 3.828 -8.759 -0.772
22 HG LEU 3 HG LEU 3 5.635 -9.789 -2.943
23 HD11 LEU 3 HD11 LEU 3 4.082 -7.207 -2.979
24 HD12 LEU 3 HD12 LEU 3 3.764 -8.605 -4.005
25 HD13 LEU 3 HD13 LEU 3 5.285 -7.725 -4.160
26 HD21 LEU 3 HD21 LEU 3 6.951 -7.810 -2.332
27 HD22 LEU 3 HD22 LEU 3 6.712 -8.892 -0.961
28 HD23 LEU 3 HD23 LEU 3 5.761 -7.413 -1.093
29 H CYS 4 H CYS 4 4.021 -9.667 1.509
30 HA CYS 4 HA CYS 4 1.561 -11.212 1.999
31 HB2 CYS 4 HB3 CYS 4 3.674 -10.244 3.920
32 HB3 CYS 4 HB2 CYS 4 2.035 -10.578 4.465
33 H GLU 5 H GLU 5 -0.245 -10.025 2.077
34 HA GLU 5 HA GLU 5 -0.025 -7.213 1.595
35 HB2 GLU 5 HB2 GLU 5 -2.598 -8.649 2.174
36 HB3 GLU 5 HB3 GLU 5 -2.333 -7.200 1.218
37 HG2 GLU 5 HG2 GLU 5 -2.662 -8.687 -0.441
38 HG3 GLU 5 HG3 GLU 5 -0.914 -8.826 -0.266
39 H LYS 6 H LYS 6 -0.504 -5.549 2.833
40 HA LYS 6 HA LYS 6 -1.364 -5.975 5.612
41 HB2 LYS 6 HB3 LYS 6 1.074 -4.657 4.557
42 HB3 LYS 6 HB2 LYS 6 0.289 -3.863 5.894
43 HG2 LYS 6 HG3 LYS 6 1.943 -5.220 6.852
44 HG3 LYS 6 HG2 LYS 6 0.425 -6.073 7.120
45 HD2 LYS 6 HD3 LYS 6 0.913 -7.470 5.135
46 HD3 LYS 6 HD2 LYS 6 2.476 -6.664 4.990
47 HE2 LYS 6 HE3 LYS 6 1.522 -8.284 7.351
48 HE3 LYS 6 HE2 LYS 6 2.684 -8.811 6.136
49 HZ1 LYS 6 HZ1 LYS 6 4.164 -7.030 6.835
50 HZ2 LYS 6 HZ2 LYS 6 3.799 -8.047 8.130
51 HZ3 LYS 6 HZ3 LYS 6 3.052 -6.536 8.009
52 HA PRO 7 HA PRO 7 -4.283 -2.830 4.507
53 HB2 PRO 7 HB3 PRO 7 -4.776 -1.784 6.987
54 HB3 PRO 7 HB2 PRO 7 -5.478 -3.295 6.404
55 HG2 PRO 7 HG3 PRO 7 -3.111 -2.869 8.184
56 HG3 PRO 7 HG2 PRO 7 -4.406 -4.072 8.312
57 HD2 PRO 7 HD3 PRO 7 -1.976 -4.690 7.325
58 HD3 PRO 7 HD2 PRO 7 -3.461 -5.444 6.705
59 H SER 8 H SER 8 -4.174 -0.750 3.869
60 HA SER 8 HA SER 8 -1.751 0.638 3.961
61 HB2 SER 8 HB2 SER 8 -3.177 2.578 3.090
62 HB3 SER 8 HB3 SER 8 -3.198 1.091 2.145
63 HG SER 8 HG SER 8 -5.207 0.666 2.799
64 H GLY 9 H GLY 9 -0.890 2.070 5.299
65 HA2 GLY 9 HA2 GLY 9 -2.517 2.907 7.620
66 HA3 GLY 9 HA3 GLY 9 -0.768 2.716 7.633
67 H THR 10 H THR 10 -1.963 4.107 4.793
68 HA THR 10 HA THR 10 -1.475 6.831 5.800
69 HB THR 10 HB THR 10 -0.372 7.309 3.580
70 HG1 THR 10 HG1 THR 10 -0.076 4.465 3.429
71 HG21 THR 10 HG21 THR 10 0.993 5.288 5.363
72 HG22 THR 10 HG22 THR 10 0.947 7.031 5.621
73 HG23 THR 10 HG23 THR 10 1.797 6.368 4.226
74 H TRP 11 H TRP 11 -3.552 4.752 4.223
75 HA TRP 11 HA TRP 11 -4.670 6.850 2.502
76 HB2 TRP 11 HB3 TRP 11 -3.966 4.546 1.577
77 HB3 TRP 11 HB2 TRP 11 -5.385 3.924 2.398
78 HD1 TRP 11 HD1 TRP 11 -7.805 4.733 1.416
79 HE1 TRP 11 HE1 TRP 11 -8.486 5.541 -0.922
80 HE3 TRP 11 HE3 TRP 11 -3.164 5.763 -0.472
81 HZ2 TRP 11 HZ2 TRP 11 -7.230 6.456 -3.264
82 HZ3 TRP 11 HZ3 TRP 11 -2.997 6.590 -2.780
83 HH2 TRP 11 HH2 TRP 11 -4.989 6.931 -4.150
84 H SER 12 H SER 12 -7.079 6.586 2.224
85 HA SER 12 HA SER 12 -8.405 6.556 4.812
86 HB2 SER 12 HB2 SER 12 -9.472 7.226 2.061
87 HB3 SER 12 HB3 SER 12 -10.286 7.529 3.595
88 HG SER 12 HG SER 12 -7.786 8.644 2.822
89 H GLY 13 H GLY 13 -10.961 5.814 3.824
90 HA2 GLY 13 HA2 GLY 13 -10.922 3.004 4.008
91 HA3 GLY 13 HA3 GLY 13 -12.288 3.975 3.520
92 H VAL 14 H VAL 14 -13.025 3.553 1.625
93 HA VAL 14 HA VAL 14 -11.916 1.819 -0.229
94 HB VAL 14 HB VAL 14 -14.310 2.399 -0.049
95 HG11 VAL 14 HG21 VAL 14 -13.484 4.962 -1.396
96 HG12 VAL 14 HG22 VAL 14 -14.101 4.792 0.245
97 HG13 VAL 14 HG23 VAL 14 -15.145 4.432 -1.131
98 HG21 VAL 14 HG13 VAL 14 -13.474 1.272 -2.029
99 HG22 VAL 14 HG11 VAL 14 -13.133 2.827 -2.784
100 HG23 VAL 14 HG12 VAL 14 -14.798 2.362 -2.434
101 H CYS 15 H CYS 15 -10.929 2.131 -2.246
102 HA CYS 15 HA CYS 15 -9.826 4.811 -2.739
103 HB2 CYS 15 HB3 CYS 15 -7.700 3.623 -3.457
104 HB3 CYS 15 HB2 CYS 15 -8.028 3.651 -1.731
105 H GLY 16 H GLY 16 -9.381 5.325 -4.884
106 HA2 GLY 16 HA2 GLY 16 -11.207 4.064 -6.736
107 HA3 GLY 16 HA3 GLY 16 -10.285 5.538 -6.995
108 H ASN 17 H ASN 17 -7.720 4.613 -6.551
109 HA ASN 17 HA ASN 17 -7.409 2.936 -8.954
110 HB2 ASN 17 HB3 ASN 17 -5.724 5.228 -7.955
111 HB3 ASN 17 HB2 ASN 17 -5.303 4.222 -9.337
112 HD21 ASN 17 HD21 ASN 17 -7.373 6.698 -8.099
113 HD22 ASN 17 HD22 ASN 17 -8.022 7.198 -9.618
114 H ASN 18 H ASN 18 -6.290 1.115 -8.732
115 HA ASN 18 HA ASN 18 -5.288 0.337 -6.184
116 HB2 ASN 18 HB3 ASN 18 -4.830 -1.785 -7.153
117 HB3 ASN 18 HB2 ASN 18 -6.300 -1.207 -7.918
118 HD21 ASN 18 HD21 ASN 18 -4.321 -3.181 -8.791
119 HD22 ASN 18 HD22 ASN 18 -3.779 -2.649 -10.346
120 H GLY 19 H GLY 19 -3.897 1.679 -9.053
121 HA2 GLY 19 HA2 GLY 19 -1.175 1.151 -8.275
122 HA3 GLY 19 HA3 GLY 19 -1.699 2.146 -9.611
123 H ALA 20 H ALA 20 -3.361 3.930 -8.095
124 HA ALA 20 HA ALA 20 -1.472 5.757 -7.033
125 HB1 ALA 20 HB1 ALA 20 -4.442 5.655 -6.444
126 HB2 ALA 20 HB2 ALA 20 -3.742 6.383 -7.888
127 HB3 ALA 20 HB3 ALA 20 -3.375 7.050 -6.297
128 H CYS 21 H CYS 21 -3.657 3.390 -5.585
129 HA CYS 21 HA CYS 21 -2.919 3.687 -2.897
130 HB2 CYS 21 HB3 CYS 21 -4.821 2.337 -3.437
131 HB3 CYS 21 HB2 CYS 21 -3.866 1.302 -4.493
132 H ARG 22 H ARG 22 -1.635 1.572 -5.452
133 HA ARG 22 HA ARG 22 0.395 0.279 -4.082
134 HB2 ARG 22 HB3 ARG 22 -0.247 -0.261 -6.371
135 HB3 ARG 22 HB2 ARG 22 0.314 1.307 -6.924
136 HG2 ARG 22 HG3 ARG 22 2.618 0.643 -6.236
137 HG3 ARG 22 HG2 ARG 22 1.987 -0.977 -5.921
138 HD2 ARG 22 HD3 ARG 22 2.963 -0.863 -8.150
139 HD3 ARG 22 HD2 ARG 22 1.223 -1.122 -8.247
140 HE ARG 22 HE ARG 22 2.190 1.627 -8.448
141 HH11 ARG 22 HH11 ARG 22 0.964 -1.219 -10.079
142 HH12 ARG 22 HH12 ARG 22 0.492 -0.353 -11.504
143 HH21 ARG 22 HH22 ARG 22 1.562 2.771 -10.327
144 HH22 ARG 22 HH21 ARG 22 0.842 1.912 -11.651
145 H ASN 23 H ASN 23 0.558 3.248 -5.938
146 HA ASN 23 HA ASN 23 3.205 3.923 -5.683
147 HB2 ASN 23 HB3 ASN 23 1.408 4.973 -7.116
148 HB3 ASN 23 HB2 ASN 23 0.868 5.848 -5.694
149 HD21 ASN 23 HD21 ASN 23 1.681 6.961 -8.111
150 HD22 ASN 23 HD22 ASN 23 3.075 7.926 -7.808
151 H GLN 24 H GLN 24 0.525 4.876 -3.563
152 HA GLN 24 HA GLN 24 2.053 6.564 -1.896
153 HB2 GLN 24 HB2 GLN 24 -0.499 6.392 -2.138
154 HB3 GLN 24 HB3 GLN 24 -0.391 5.074 -0.986
155 HG2 GLN 24 HG3 GLN 24 0.552 6.520 0.670
156 HG3 GLN 24 HG2 GLN 24 0.641 7.852 -0.484
157 HE21 GLN 24 HE21 GLN 24 -1.401 5.931 1.531
158 HE22 GLN 24 HE22 GLN 24 -2.806 6.938 1.421
159 H CYS 25 H CYS 25 1.020 3.205 -1.578
160 HA CYS 25 HA CYS 25 2.271 2.555 0.822
161 HB2 CYS 25 HB3 CYS 25 1.907 0.846 -1.652
162 HB3 CYS 25 HB2 CYS 25 2.362 0.231 -0.072
163 H ILE 26 H ILE 26 3.616 2.684 -2.466
164 HA ILE 26 HA ILE 26 6.124 1.562 -1.997
165 HB ILE 26 HB ILE 26 5.706 3.931 -3.817
166 HG12 ILE 26 HG13 ILE 26 3.939 2.408 -4.391
167 HG13 ILE 26 HG12 ILE 26 5.197 2.279 -5.615
168 HG21 ILE 26 HG21 ILE 26 7.462 2.865 -5.150
169 HG22 ILE 26 HG22 ILE 26 7.579 1.578 -3.951
170 HG23 ILE 26 HG23 ILE 26 8.004 3.234 -3.513
171 HD11 ILE 26 HD11 ILE 26 4.775 0.383 -3.333
172 HD12 ILE 26 HD12 ILE 26 5.989 0.233 -4.606
173 HD13 ILE 26 HD13 ILE 26 4.273 0.124 -5.002
174 H ARG 27 H ARG 27 5.225 4.981 -1.996
175 HA ARG 27 HA ARG 27 7.898 5.745 -1.248
176 HB2 ARG 27 HB3 ARG 27 5.495 7.546 -1.473
177 HB3 ARG 27 HB2 ARG 27 7.192 7.994 -1.598
178 HG2 ARG 27 HG3 ARG 27 7.330 6.549 -3.637
179 HG3 ARG 27 HG2 ARG 27 5.578 6.375 -3.539
180 HD2 ARG 27 HD3 ARG 27 7.086 8.967 -3.843
181 HD3 ARG 27 HD2 ARG 27 6.219 8.124 -5.123
182 HE ARG 27 HE ARG 27 4.559 8.745 -2.868
183 HH11 ARG 27 HH11 ARG 27 5.927 10.006 -5.832
184 HH12 ARG 27 HH12 ARG 27 4.711 11.227 -6.021
185 HH21 ARG 27 HH22 ARG 27 2.955 10.345 -3.119
186 HH22 ARG 27 HH21 ARG 27 3.019 11.421 -4.480
187 H LEU 28 H LEU 28 4.695 6.054 0.284
188 HA LEU 28 HA LEU 28 5.863 7.346 2.582
189 HB2 LEU 28 HB3 LEU 28 3.057 6.380 2.062
190 HB3 LEU 28 HB2 LEU 28 3.550 7.238 3.509
191 HG LEU 28 HG LEU 28 3.611 8.329 0.697
192 HD11 LEU 28 HD11 LEU 28 1.361 8.165 1.561
193 HD12 LEU 28 HD12 LEU 28 1.872 9.853 1.538
194 HD13 LEU 28 HD13 LEU 28 1.849 8.960 3.058
195 HD21 LEU 28 HD21 LEU 28 5.447 9.242 1.974
196 HD22 LEU 28 HD22 LEU 28 4.367 9.609 3.318
197 HD23 LEU 28 HD23 LEU 28 4.190 10.465 1.787
198 H GLU 29 H GLU 29 4.510 4.142 1.905
199 HA GLU 29 HA GLU 29 5.125 3.388 4.663
200 HB2 GLU 29 HB2 GLU 29 3.375 2.024 2.615
201 HB3 GLU 29 HB3 GLU 29 3.655 1.434 4.246
202 HG2 GLU 29 HG2 GLU 29 2.785 3.650 5.071
203 HG3 GLU 29 HG3 GLU 29 2.271 3.960 3.418
204 H LYS 30 H LYS 30 6.607 3.365 1.831
205 HA LYS 30 HA LYS 30 8.413 2.330 0.945
206 HB2 LYS 30 HB3 LYS 30 8.739 1.282 3.758
207 HB3 LYS 30 HB2 LYS 30 9.977 1.243 2.512
208 HG2 LYS 30 HG3 LYS 30 8.737 3.728 3.678
209 HG3 LYS 30 HG2 LYS 30 10.324 3.073 4.087
210 HD2 LYS 30 HD3 LYS 30 11.056 3.396 1.774
211 HD3 LYS 30 HD2 LYS 30 9.465 4.033 1.356
212 HE2 LYS 30 HE3 LYS 30 11.046 5.846 1.704
213 HE3 LYS 30 HE2 LYS 30 9.789 5.871 2.938
214 HZ1 LYS 30 HZ1 LYS 30 11.314 4.815 4.474
215 HZ2 LYS 30 HZ2 LYS 30 11.981 6.247 3.880
216 HZ3 LYS 30 HZ3 LYS 30 12.519 4.758 3.287
217 H ALA 31 H ALA 31 5.842 0.947 0.880
218 HA ALA 31 HA ALA 31 6.391 -1.872 1.079
219 HB1 ALA 31 HB1 ALA 31 4.173 -2.169 0.158
220 HB2 ALA 31 HB2 ALA 31 4.109 -0.471 -0.305
221 HB3 ALA 31 HB3 ALA 31 4.123 -0.916 1.401
222 H ARG 32 H ARG 32 6.566 -3.328 -0.685
223 HA ARG 32 HA ARG 32 7.979 -2.220 -2.940
224 HB2 ARG 32 HB3 ARG 32 7.238 -5.071 -2.287
225 HB3 ARG 32 HB2 ARG 32 8.339 -4.564 -3.551
226 HG2 ARG 32 HG3 ARG 32 8.734 -4.151 -0.600
227 HG3 ARG 32 HG2 ARG 32 9.532 -5.366 -1.584
228 HD2 ARG 32 HD3 ARG 32 11.062 -3.553 -1.254
229 HD3 ARG 32 HD2 ARG 32 10.532 -3.516 -2.934
230 HE ARG 32 HE ARG 32 8.929 -1.842 -1.274
231 HH11 ARG 32 HH11 ARG 32 12.054 -1.969 -2.836
232 HH12 ARG 32 HH12 ARG 32 12.120 -0.261 -3.119
233 HH21 ARG 32 HH22 ARG 32 9.002 0.403 -1.661
234 HH22 ARG 32 HH21 ARG 32 10.383 1.092 -2.454
235 H HIS 33 H HIS 33 4.825 -3.387 -2.236
236 HA HIS 33 HA HIS 33 3.903 -2.529 -4.836
237 HB2 HIS 33 HB3 HIS 33 4.520 -4.902 -5.215
238 HB3 HIS 33 HB2 HIS 33 3.451 -5.380 -3.905
239 HD1 HIS 33 HD1 HIS 33 3.221 -3.650 -7.289
240 HD2 HIS 33 HD2 HIS 33 0.943 -6.007 -4.727
241 HE1 HIS 33 HE1 HIS 33 1.072 -4.104 -8.513
242 HE2 HIS 33 HE2 HIS 33 -0.197 -5.695 -7.025
243 H GLY 34 H GLY 34 1.470 -2.563 -4.902
244 HA2 GLY 34 HA2 GLY 34 -0.004 -3.121 -2.524
245 HA3 GLY 34 HA3 GLY 34 0.213 -1.395 -2.760
246 H SER 35 H SER 35 -2.298 -2.685 -2.807
247 HA SER 35 HA SER 35 -3.255 -1.795 -5.362
248 HB2 SER 35 HB2 SER 35 -3.390 -4.744 -4.678
249 HB3 SER 35 HB3 SER 35 -4.305 -3.980 -5.976
250 HG SER 35 HG SER 35 -1.742 -3.286 -6.227
251 H CYS 36 H CYS 36 -5.525 -1.539 -5.384
252 HA CYS 36 HA CYS 36 -6.805 -1.445 -2.848
253 HB2 CYS 36 HB3 CYS 36 -7.723 -0.942 -5.674
254 HB3 CYS 36 HB2 CYS 36 -8.781 -0.829 -4.285
255 H ASN 37 H ASN 37 -6.679 -3.609 -2.204
256 HA ASN 37 HA ASN 37 -7.801 -5.697 -3.824
257 HB2 ASN 37 HB3 ASN 37 -6.234 -6.740 -2.625
258 HB3 ASN 37 HB2 ASN 37 -6.197 -5.491 -1.389
259 HD21 ASN 37 HD21 ASN 37 -7.676 -5.626 0.314
260 HD22 ASN 37 HD22 ASN 37 -8.263 -7.159 0.805
261 H TYR 38 H TYR 38 -9.484 -7.123 -3.021
262 HA TYR 38 HA TYR 38 -11.706 -5.409 -2.291
263 HB2 TYR 38 HB2 TYR 38 -11.855 -6.955 -4.238
264 HB3 TYR 38 HB3 TYR 38 -11.799 -8.310 -3.113
265 HD1 TYR 38 HD2 TYR 38 -13.694 -5.135 -3.605
266 HD2 TYR 38 HD1 TYR 38 -13.816 -9.223 -2.461
267 HE1 TYR 38 HE2 TYR 38 -16.129 -4.970 -3.317
268 HE2 TYR 38 HE1 TYR 38 -16.250 -9.076 -2.166
269 HH TYR 38 HH TYR 38 -18.088 -6.453 -3.303
270 H VAL 39 H VAL 39 -11.045 -5.151 -0.066
271 HA VAL 39 HA VAL 39 -11.637 -7.334 1.727
272 HB VAL 39 HB VAL 39 -11.443 -4.367 2.320
273 HG11 VAL 39 HG21 VAL 39 -11.191 -5.050 4.657
274 HG12 VAL 39 HG22 VAL 39 -11.439 -6.732 4.191
275 HG13 VAL 39 HG23 VAL 39 -12.745 -5.565 3.999
276 HG21 VAL 39 HG13 VAL 39 -9.338 -5.273 1.475
277 HG22 VAL 39 HG11 VAL 39 -9.395 -6.549 2.689
278 HG23 VAL 39 HG12 VAL 39 -9.215 -4.867 3.187
279 H PHE 40 H PHE 40 -13.652 -8.074 1.392
280 HA PHE 40 HA PHE 40 -15.837 -6.841 0.367
281 HB2 PHE 40 HB2 PHE 40 -15.651 -9.262 0.789
282 HB3 PHE 40 HB3 PHE 40 -15.840 -8.969 2.508
283 HD1 PHE 40 HD2 PHE 40 -17.571 -8.728 -0.746
284 HD2 PHE 40 HD1 PHE 40 -17.960 -8.815 3.489
285 HE1 PHE 40 HE2 PHE 40 -20.007 -8.958 -0.979
286 HE2 PHE 40 HE1 PHE 40 -20.397 -9.049 3.265
287 HZ PHE 40 HZ PHE 40 -21.425 -9.117 1.027
288 HA PRO 41 HA PRO 41 -17.585 -6.362 0.135
289 HB2 PRO 41 HB3 PRO 41 -19.652 -4.725 0.057
290 HB3 PRO 41 HB2 PRO 41 -19.665 -6.100 1.172
291 HG2 PRO 41 HG3 PRO 41 -19.196 -3.208 1.734
292 HG3 PRO 41 HG2 PRO 41 -20.024 -4.423 2.723
293 HD2 PRO 41 HD3 PRO 41 -17.323 -3.566 2.955
294 HD3 PRO 41 HD2 PRO 41 -18.097 -4.912 3.817
295 H ALA 42 H ALA 42 -15.372 -4.323 0.707
296 HA ALA 42 HA ALA 42 -15.950 -2.530 -1.549
297 HB1 ALA 42 HB1 ALA 42 -16.436 -1.323 0.532
298 HB2 ALA 42 HB2 ALA 42 -15.077 -0.617 -0.343
299 HB3 ALA 42 HB3 ALA 42 -14.785 -1.621 1.078
300 H HIS 43 H HIS 43 -13.986 -1.399 -2.345
301 HA HIS 43 HA HIS 43 -11.660 -3.153 -2.265
302 HB2 HIS 43 HB3 HIS 43 -12.507 -0.889 -4.039
303 HB3 HIS 43 HB2 HIS 43 -10.810 -1.348 -3.964
304 HD1 HIS 43 HD1 HIS 43 -10.101 -3.454 -5.183
305 HD2 HIS 43 HD2 HIS 43 -14.224 -2.882 -5.152
306 HE1 HIS 43 HE1 HIS 43 -11.036 -5.161 -6.773
307 HE2 HIS 43 HE2 HIS 43 -13.533 -4.845 -6.691
308 H LYS 44 H LYS 44 -10.252 -2.856 -0.730
309 HA LYS 44 HA LYS 44 -9.900 -0.165 0.401
310 HB2 LYS 44 HB3 LYS 44 -9.474 -2.918 1.553
311 HB3 LYS 44 HB2 LYS 44 -8.819 -1.474 2.312
312 HG2 LYS 44 HG3 LYS 44 -11.724 -1.739 1.674
313 HG3 LYS 44 HG2 LYS 44 -11.044 -2.362 3.179
314 HD2 LYS 44 HD3 LYS 44 -10.208 -0.108 3.699
315 HD3 LYS 44 HD2 LYS 44 -10.925 0.494 2.203
316 HE2 LYS 44 HE3 LYS 44 -12.358 0.988 4.107
317 HE3 LYS 44 HE2 LYS 44 -13.145 -0.146 3.012
318 HZ1 LYS 44 HZ1 LYS 44 -12.599 -1.946 4.482
319 HZ2 LYS 44 HZ2 LYS 44 -13.393 -0.745 5.367
320 HZ3 LYS 44 HZ3 LYS 44 -11.719 -0.920 5.498
321 H CYS 45 H CYS 45 -7.829 0.613 0.736
322 HA CYS 45 HA CYS 45 -5.960 -0.200 -1.276
323 HB2 CYS 45 HB3 CYS 45 -6.213 2.168 -0.663
324 HB3 CYS 45 HB2 CYS 45 -5.689 1.814 0.978
325 H ILE 46 H ILE 46 -4.634 -1.884 -1.028
326 HA ILE 46 HA ILE 46 -3.749 -2.550 1.696
327 HB ILE 46 HB ILE 46 -4.557 -4.436 -0.525
328 HG12 ILE 46 HG13 ILE 46 -6.416 -3.633 0.804
329 HG13 ILE 46 HG12 ILE 46 -6.090 -5.318 1.193
330 HG21 ILE 46 HG21 ILE 46 -3.237 -5.114 2.094
331 HG22 ILE 46 HG22 ILE 46 -2.502 -5.255 0.494
332 HG23 ILE 46 HG23 ILE 46 -3.882 -6.268 0.923
333 HD11 ILE 46 HD11 ILE 46 -6.562 -4.166 3.209
334 HD12 ILE 46 HD12 ILE 46 -5.388 -2.908 2.833
335 HD13 ILE 46 HD13 ILE 46 -4.841 -4.547 3.192
336 H CYS 47 H CYS 47 -1.668 -2.324 1.966
337 HA CYS 47 HA CYS 47 0.136 -2.119 -0.293
338 HB2 CYS 47 HB3 CYS 47 0.752 -1.945 2.666
339 HB3 CYS 47 HB2 CYS 47 1.796 -1.443 1.353
340 H TYR 48 H TYR 48 1.918 -3.490 -0.637
341 HA TYR 48 HA TYR 48 1.701 -6.101 0.700
342 HB2 TYR 48 HB2 TYR 48 2.663 -5.346 -2.048
343 HB3 TYR 48 HB3 TYR 48 2.985 -6.919 -1.336
344 HD1 TYR 48 HD1 TYR 48 -0.066 -4.753 -1.488
345 HD2 TYR 48 HD2 TYR 48 1.696 -8.521 -2.320
346 HE1 TYR 48 HE1 TYR 48 -2.204 -5.537 -2.370
347 HE2 TYR 48 HE2 TYR 48 -0.437 -9.341 -3.181
348 HH TYR 48 HH TYR 48 -2.894 -8.780 -2.889
349 H PHE 49 H PHE 49 3.239 -6.589 2.059
350 HA PHE 49 HA PHE 49 5.920 -5.443 1.642
351 HB2 PHE 49 HB2 PHE 49 4.572 -6.212 4.241
352 HB3 PHE 49 HB3 PHE 49 6.237 -5.673 4.094
353 HD1 PHE 49 HD2 PHE 49 6.755 -3.354 3.573
354 HD2 PHE 49 HD1 PHE 49 2.744 -4.656 4.093
355 HE1 PHE 49 HE2 PHE 49 6.024 -1.019 3.793
356 HE2 PHE 49 HE1 PHE 49 2.005 -2.330 4.304
357 HZ PHE 49 HZ PHE 49 3.642 -0.506 4.158
358 HA PRO 50 HA PRO 50 7.317 -9.590 0.971
359 HB2 PRO 50 HB3 PRO 50 9.778 -8.695 2.359
360 HB3 PRO 50 HB2 PRO 50 9.584 -9.413 0.758
361 HG2 PRO 50 HG3 PRO 50 10.114 -6.813 1.050
362 HG3 PRO 50 HG2 PRO 50 9.028 -7.395 -0.225
363 HD2 PRO 50 HD3 PRO 50 8.364 -6.071 2.372
364 HD3 PRO 50 HD2 PRO 50 7.589 -5.903 0.785
365 H CYS 51 H CYS 51 6.686 -11.233 2.159
366 HA CYS 51 HA CYS 51 6.326 -11.259 4.925
367 HB2 CYS 51 HB3 CYS 51 6.906 -13.744 3.335
368 HB3 CYS 51 HB2 CYS 51 5.832 -13.555 4.715
Start of MODEL 8
1 HA PCA 1 HA PCA 1 5.400 -13.385 -5.359
2 HB2 PCA 1 HB2 PCA 1 4.211 -11.482 -5.569
3 HB3 PCA 1 HB3 PCA 1 3.755 -11.622 -3.866
4 HG2 PCA 1 HG2 PCA 1 1.678 -12.374 -4.422
5 H ARG 2 H ARG 2 6.795 -12.960 -3.706
6 HA ARG 2 HA ARG 2 6.391 -14.378 -1.220
7 HB2 ARG 2 HB3 ARG 2 8.693 -13.574 -0.701
8 HB3 ARG 2 HB2 ARG 2 8.594 -14.427 -2.236
9 HG2 ARG 2 HG3 ARG 2 8.777 -12.441 -3.474
10 HG3 ARG 2 HG2 ARG 2 8.443 -11.436 -2.064
11 HD2 ARG 2 HD3 ARG 2 10.569 -12.216 -1.067
12 HD3 ARG 2 HD2 ARG 2 10.909 -13.094 -2.559
13 HE ARG 2 HE ARG 2 10.638 -10.743 -3.600
14 HH11 ARG 2 HH11 ARG 2 12.094 -11.456 -0.493
15 HH12 ARG 2 HH12 ARG 2 13.111 -10.054 -0.506
16 HH21 ARG 2 HH22 ARG 2 11.970 -8.905 -3.624
17 HH22 ARG 2 HH21 ARG 2 13.031 -8.586 -2.286
18 H LEU 3 H LEU 3 4.442 -12.565 -1.285
19 HA LEU 3 HA LEU 3 5.371 -10.328 0.387
20 HB2 LEU 3 HB3 LEU 3 3.253 -10.214 -1.761
21 HB3 LEU 3 HB2 LEU 3 3.742 -8.887 -0.730
22 HG LEU 3 HG LEU 3 5.558 -10.239 -2.730
23 HD11 LEU 3 HD11 LEU 3 4.080 -7.622 -2.946
24 HD12 LEU 3 HD12 LEU 3 3.719 -9.091 -3.851
25 HD13 LEU 3 HD13 LEU 3 5.250 -8.254 -4.103
26 HD21 LEU 3 HD21 LEU 3 6.782 -9.214 -0.915
27 HD22 LEU 3 HD22 LEU 3 5.867 -7.719 -1.102
28 HD23 LEU 3 HD23 LEU 3 6.965 -8.246 -2.377
29 H CYS 4 H CYS 4 4.242 -9.978 2.193
30 HA CYS 4 HA CYS 4 1.600 -11.250 2.448
31 HB2 CYS 4 HB3 CYS 4 3.712 -10.603 4.492
32 HB3 CYS 4 HB2 CYS 4 2.024 -10.757 4.971
33 H GLU 5 H GLU 5 -0.095 -9.950 2.500
34 HA GLU 5 HA GLU 5 0.383 -7.196 1.916
35 HB2 GLU 5 HB2 GLU 5 -2.291 -8.514 2.335
36 HB3 GLU 5 HB3 GLU 5 -1.951 -7.027 1.462
37 HG2 GLU 5 HG2 GLU 5 -2.223 -8.473 -0.265
38 HG3 GLU 5 HG3 GLU 5 -0.482 -8.581 -0.026
39 H LYS 6 H LYS 6 -0.482 -5.401 2.933
40 HA LYS 6 HA LYS 6 -1.331 -5.689 5.726
41 HB2 LYS 6 HB3 LYS 6 1.077 -5.219 5.781
42 HB3 LYS 6 HB2 LYS 6 0.849 -3.865 4.696
43 HG2 LYS 6 HG3 LYS 6 -0.443 -2.694 6.383
44 HG3 LYS 6 HG2 LYS 6 -0.267 -4.063 7.480
45 HD2 LYS 6 HD3 LYS 6 2.102 -3.738 7.608
46 HD3 LYS 6 HD2 LYS 6 2.050 -2.517 6.337
47 HE2 LYS 6 HE3 LYS 6 2.260 -1.520 8.572
48 HE3 LYS 6 HE2 LYS 6 0.774 -1.034 7.759
49 HZ1 LYS 6 HZ1 LYS 6 0.344 -1.570 10.052
50 HZ2 LYS 6 HZ2 LYS 6 1.013 -3.112 9.869
51 HZ3 LYS 6 HZ3 LYS 6 -0.417 -2.707 9.059
52 HA PRO 7 HA PRO 7 -4.359 -2.702 4.256
53 HB2 PRO 7 HB3 PRO 7 -5.148 -1.877 6.768
54 HB3 PRO 7 HB2 PRO 7 -5.800 -3.285 5.927
55 HG2 PRO 7 HG3 PRO 7 -3.699 -3.146 8.044
56 HG3 PRO 7 HG2 PRO 7 -5.000 -4.331 7.825
57 HD2 PRO 7 HD3 PRO 7 -2.459 -4.873 7.135
58 HD3 PRO 7 HD2 PRO 7 -3.833 -5.499 6.202
59 H SER 8 H SER 8 -3.880 -0.741 3.577
60 HA SER 8 HA SER 8 -1.552 0.608 4.139
61 HB2 SER 8 HB2 SER 8 -2.752 2.593 3.066
62 HB3 SER 8 HB3 SER 8 -2.684 1.105 2.122
63 HG SER 8 HG SER 8 -4.787 0.740 2.498
64 H GLY 9 H GLY 9 -0.860 2.027 5.575
65 HA2 GLY 9 HA2 GLY 9 -2.744 2.905 7.666
66 HA3 GLY 9 HA3 GLY 9 -0.994 2.833 7.827
67 H THR 10 H THR 10 -1.661 4.054 4.829
68 HA THR 10 HA THR 10 -1.527 6.827 5.838
69 HB THR 10 HB THR 10 -0.415 7.382 3.664
70 HG1 THR 10 HG1 THR 10 -0.153 4.535 3.412
71 HG21 THR 10 HG21 THR 10 0.975 5.351 5.413
72 HG22 THR 10 HG22 THR 10 0.924 7.096 5.668
73 HG23 THR 10 HG23 THR 10 1.779 6.431 4.277
74 H TRP 11 H TRP 11 -3.173 4.555 3.918
75 HA TRP 11 HA TRP 11 -4.737 6.549 2.495
76 HB2 TRP 11 HB3 TRP 11 -3.924 4.264 1.585
77 HB3 TRP 11 HB2 TRP 11 -5.244 3.593 2.518
78 HD1 TRP 11 HD1 TRP 11 -7.740 4.040 1.582
79 HE1 TRP 11 HE1 TRP 11 -8.594 4.798 -0.720
80 HE3 TRP 11 HE3 TRP 11 -3.341 5.728 -0.393
81 HZ2 TRP 11 HZ2 TRP 11 -7.536 5.937 -3.073
82 HZ3 TRP 11 HZ3 TRP 11 -3.341 6.626 -2.679
83 HH2 TRP 11 HH2 TRP 11 -5.393 6.729 -3.998
84 H SER 12 H SER 12 -7.145 6.171 2.556
85 HA SER 12 HA SER 12 -8.247 5.215 5.037
86 HB2 SER 12 HB2 SER 12 -8.335 8.193 4.485
87 HB3 SER 12 HB3 SER 12 -9.078 7.358 5.848
88 HG SER 12 HG SER 12 -6.586 6.641 5.929
89 H GLY 13 H GLY 13 -10.506 5.093 5.011
90 HA2 GLY 13 HA2 GLY 13 -12.644 5.201 4.173
91 HA3 GLY 13 HA3 GLY 13 -12.090 6.433 3.052
92 H VAL 14 H VAL 14 -13.245 5.603 1.340
93 HA VAL 14 HA VAL 14 -12.952 2.868 0.523
94 HB VAL 14 HB VAL 14 -14.257 5.177 -0.924
95 HG11 VAL 14 HG21 VAL 14 -14.594 2.206 -1.218
96 HG12 VAL 14 HG22 VAL 14 -13.782 3.285 -2.352
97 HG13 VAL 14 HG23 VAL 14 -15.517 3.437 -2.078
98 HG21 VAL 14 HG13 VAL 14 -15.223 4.862 1.310
99 HG22 VAL 14 HG11 VAL 14 -15.523 3.167 0.933
100 HG23 VAL 14 HG12 VAL 14 -16.361 4.431 0.034
101 H CYS 15 H CYS 15 -11.721 2.109 -1.127
102 HA CYS 15 HA CYS 15 -9.918 4.012 -2.445
103 HB2 CYS 15 HB3 CYS 15 -8.682 2.329 -1.313
104 HB3 CYS 15 HB2 CYS 15 -9.716 1.048 -1.927
105 H GLY 16 H GLY 16 -9.648 3.960 -4.695
106 HA2 GLY 16 HA2 GLY 16 -11.437 2.258 -6.262
107 HA3 GLY 16 HA3 GLY 16 -11.669 3.998 -6.377
108 H ASN 17 H ASN 17 -8.576 2.421 -5.985
109 HA ASN 17 HA ASN 17 -7.783 2.680 -8.713
110 HB2 ASN 17 HB3 ASN 17 -6.090 4.498 -8.261
111 HB3 ASN 17 HB2 ASN 17 -7.763 5.035 -8.279
112 HD21 ASN 17 HD21 ASN 17 -8.743 5.667 -6.356
113 HD22 ASN 17 HD22 ASN 17 -7.816 6.042 -4.943
114 H ASN 18 H ASN 18 -6.105 1.354 -9.056
115 HA ASN 18 HA ASN 18 -4.978 0.025 -6.728
116 HB2 ASN 18 HB3 ASN 18 -4.980 -0.592 -9.668
117 HB3 ASN 18 HB2 ASN 18 -3.922 -1.453 -8.559
118 HD21 ASN 18 HD21 ASN 18 -7.223 -0.856 -9.488
119 HD22 ASN 18 HD22 ASN 18 -7.907 -2.202 -8.644
120 H GLY 19 H GLY 19 -3.974 2.207 -9.243
121 HA2 GLY 19 HA2 GLY 19 -1.176 1.677 -8.884
122 HA3 GLY 19 HA3 GLY 19 -1.873 2.900 -9.906
123 H ALA 20 H ALA 20 -3.262 4.472 -8.237
124 HA ALA 20 HA ALA 20 -1.293 6.012 -6.933
125 HB1 ALA 20 HB1 ALA 20 -3.422 6.950 -7.725
126 HB2 ALA 20 HB2 ALA 20 -3.136 7.317 -6.025
127 HB3 ALA 20 HB3 ALA 20 -4.278 6.050 -6.473
128 H CYS 21 H CYS 21 -3.572 3.598 -5.780
129 HA CYS 21 HA CYS 21 -2.901 3.623 -3.067
130 HB2 CYS 21 HB3 CYS 21 -4.806 2.362 -3.784
131 HB3 CYS 21 HB2 CYS 21 -3.833 1.402 -4.892
132 H ARG 22 H ARG 22 -1.488 1.804 -5.803
133 HA ARG 22 HA ARG 22 0.379 0.346 -4.272
134 HB2 ARG 22 HB3 ARG 22 -0.185 -0.227 -6.598
135 HB3 ARG 22 HB2 ARG 22 0.562 1.266 -7.152
136 HG2 ARG 22 HG3 ARG 22 2.728 0.463 -6.290
137 HG3 ARG 22 HG2 ARG 22 1.957 -1.058 -5.837
138 HD2 ARG 22 HD3 ARG 22 3.078 -1.331 -7.955
139 HD3 ARG 22 HD2 ARG 22 1.336 -1.407 -8.205
140 HE ARG 22 HE ARG 22 2.116 1.241 -8.609
141 HH11 ARG 22 HH11 ARG 22 2.665 -1.888 -10.069
142 HH12 ARG 22 HH12 ARG 22 2.947 -1.244 -11.654
143 HH21 ARG 22 HH22 ARG 22 2.502 2.099 -10.696
144 HH22 ARG 22 HH21 ARG 22 2.860 1.023 -12.010
145 H ASN 23 H ASN 23 0.660 3.343 -6.078
146 HA ASN 23 HA ASN 23 3.343 3.904 -5.715
147 HB2 ASN 23 HB3 ASN 23 1.874 5.076 -7.281
148 HB3 ASN 23 HB2 ASN 23 0.994 5.796 -5.947
149 HD21 ASN 23 HD21 ASN 23 1.414 7.854 -6.641
150 HD22 ASN 23 HD22 ASN 23 2.970 8.583 -6.499
151 H GLN 24 H GLN 24 0.596 4.959 -3.739
152 HA GLN 24 HA GLN 24 2.066 6.565 -1.967
153 HB2 GLN 24 HB2 GLN 24 -0.483 6.387 -2.251
154 HB3 GLN 24 HB3 GLN 24 -0.389 5.044 -1.127
155 HG2 GLN 24 HG3 GLN 24 0.558 6.457 0.568
156 HG3 GLN 24 HG2 GLN 24 0.628 7.814 -0.554
157 HE21 GLN 24 HE21 GLN 24 -1.371 5.869 1.473
158 HE22 GLN 24 HE22 GLN 24 -2.790 6.857 1.371
159 H CYS 25 H CYS 25 1.063 3.184 -1.731
160 HA CYS 25 HA CYS 25 2.251 2.537 0.702
161 HB2 CYS 25 HB3 CYS 25 1.918 0.831 -1.775
162 HB3 CYS 25 HB2 CYS 25 2.401 0.206 -0.206
163 H ILE 26 H ILE 26 3.710 2.626 -2.552
164 HA ILE 26 HA ILE 26 6.193 1.498 -2.008
165 HB ILE 26 HB ILE 26 5.850 3.900 -3.802
166 HG12 ILE 26 HG13 ILE 26 4.092 2.394 -4.447
167 HG13 ILE 26 HG12 ILE 26 5.380 2.285 -5.640
168 HG21 ILE 26 HG21 ILE 26 7.707 1.535 -3.935
169 HG22 ILE 26 HG22 ILE 26 8.134 3.165 -3.419
170 HG23 ILE 26 HG23 ILE 26 7.649 2.867 -5.088
171 HD11 ILE 26 HD11 ILE 26 4.440 0.119 -5.106
172 HD12 ILE 26 HD12 ILE 26 4.883 0.340 -3.412
173 HD13 ILE 26 HD13 ILE 26 6.139 0.213 -4.645
174 H ARG 27 H ARG 27 5.287 4.898 -1.965
175 HA ARG 27 HA ARG 27 7.891 5.713 -1.055
176 HB2 ARG 27 HB3 ARG 27 5.390 7.360 -1.374
177 HB3 ARG 27 HB2 ARG 27 7.030 7.973 -1.204
178 HG2 ARG 27 HG3 ARG 27 6.001 6.298 -3.469
179 HG3 ARG 27 HG2 ARG 27 6.257 8.038 -3.504
180 HD2 ARG 27 HD3 ARG 27 8.641 7.711 -3.113
181 HD3 ARG 27 HD2 ARG 27 8.396 5.966 -3.049
182 HE ARG 27 HE ARG 27 7.398 6.586 -5.455
183 HH11 ARG 27 HH11 ARG 27 10.414 7.450 -3.908
184 HH12 ARG 27 HH12 ARG 27 11.303 7.538 -5.395
185 HH21 ARG 27 HH22 ARG 27 8.557 6.697 -7.419
186 HH22 ARG 27 HH21 ARG 27 10.241 7.115 -7.397
187 H LEU 28 H LEU 28 4.619 6.186 0.261
188 HA LEU 28 HA LEU 28 5.677 7.338 2.648
189 HB2 LEU 28 HB3 LEU 28 2.873 6.493 1.946
190 HB3 LEU 28 HB2 LEU 28 3.308 7.357 3.407
191 HG LEU 28 HG LEU 28 3.596 8.388 0.583
192 HD11 LEU 28 HD11 LEU 28 1.757 9.212 2.825
193 HD12 LEU 28 HD12 LEU 28 1.289 8.324 1.376
194 HD13 LEU 28 HD13 LEU 28 1.875 9.982 1.241
195 HD21 LEU 28 HD21 LEU 28 4.218 10.511 1.666
196 HD22 LEU 28 HD22 LEU 28 5.395 9.234 1.962
197 HD23 LEU 28 HD23 LEU 28 4.251 9.688 3.225
198 H GLU 29 H GLU 29 4.455 4.118 1.853
199 HA GLU 29 HA GLU 29 4.842 3.411 4.676
200 HB2 GLU 29 HB2 GLU 29 3.154 2.025 2.589
201 HB3 GLU 29 HB3 GLU 29 3.362 1.476 4.245
202 HG2 GLU 29 HG2 GLU 29 2.512 3.744 4.968
203 HG3 GLU 29 HG3 GLU 29 2.041 3.989 3.291
204 H LYS 30 H LYS 30 6.482 3.328 1.948
205 HA LYS 30 HA LYS 30 8.348 2.265 1.231
206 HB2 LYS 30 HB3 LYS 30 8.408 1.151 4.032
207 HB3 LYS 30 HB2 LYS 30 9.753 1.165 2.898
208 HG2 LYS 30 HG3 LYS 30 9.636 3.649 2.886
209 HG3 LYS 30 HG2 LYS 30 8.411 3.551 4.151
210 HD2 LYS 30 HD3 LYS 30 10.521 3.950 5.197
211 HD3 LYS 30 HD2 LYS 30 10.054 2.284 5.534
212 HE2 LYS 30 HE3 LYS 30 12.429 2.477 4.945
213 HE3 LYS 30 HE2 LYS 30 11.539 1.483 3.793
214 HZ1 LYS 30 HZ1 LYS 30 12.263 4.336 3.396
215 HZ2 LYS 30 HZ2 LYS 30 11.454 3.356 2.282
216 HZ3 LYS 30 HZ3 LYS 30 13.058 3.020 2.693
217 H ALA 31 H ALA 31 5.846 0.966 0.775
218 HA ALA 31 HA ALA 31 6.351 -1.880 1.060
219 HB1 ALA 31 HB1 ALA 31 4.122 -0.556 -0.465
220 HB2 ALA 31 HB2 ALA 31 4.070 -0.820 1.276
221 HB3 ALA 31 HB3 ALA 31 4.168 -2.198 0.175
222 H ARG 32 H ARG 32 6.488 -3.311 -0.752
223 HA ARG 32 HA ARG 32 7.979 -2.165 -2.957
224 HB2 ARG 32 HB3 ARG 32 7.370 -5.014 -2.173
225 HB3 ARG 32 HB2 ARG 32 8.396 -4.542 -3.516
226 HG2 ARG 32 HG3 ARG 32 8.894 -3.837 -0.636
227 HG3 ARG 32 HG2 ARG 32 9.667 -5.156 -1.507
228 HD2 ARG 32 HD3 ARG 32 9.876 -2.213 -2.127
229 HD3 ARG 32 HD2 ARG 32 11.142 -3.234 -1.449
230 HE ARG 32 HE ARG 32 10.763 -4.506 -3.704
231 HH11 ARG 32 HH11 ARG 32 10.779 -1.036 -3.203
232 HH12 ARG 32 HH12 ARG 32 11.363 -0.686 -4.798
233 HH21 ARG 32 HH22 ARG 32 11.509 -4.045 -5.806
234 HH22 ARG 32 HH21 ARG 32 11.768 -2.397 -6.283
235 H HIS 33 H HIS 33 4.849 -3.391 -2.294
236 HA HIS 33 HA HIS 33 3.981 -2.745 -4.976
237 HB2 HIS 33 HB3 HIS 33 4.683 -5.111 -5.180
238 HB3 HIS 33 HB2 HIS 33 3.604 -5.546 -3.863
239 HD1 HIS 33 HD1 HIS 33 3.342 -3.971 -7.326
240 HD2 HIS 33 HD2 HIS 33 1.181 -6.396 -4.725
241 HE1 HIS 33 HE1 HIS 33 1.226 -4.558 -8.548
242 HE2 HIS 33 HE2 HIS 33 0.043 -6.196 -7.039
243 H GLY 34 H GLY 34 1.533 -2.869 -5.110
244 HA2 GLY 34 HA2 GLY 34 0.102 -3.101 -2.607
245 HA3 GLY 34 HA3 GLY 34 0.165 -1.474 -3.259
246 H SER 35 H SER 35 -2.243 -2.838 -2.897
247 HA SER 35 HA SER 35 -3.230 -2.835 -5.629
248 HB2 SER 35 HB2 SER 35 -3.647 -5.255 -3.853
249 HB3 SER 35 HB3 SER 35 -4.304 -5.022 -5.472
250 HG SER 35 HG SER 35 -1.727 -4.651 -5.690
251 H CYS 36 H CYS 36 -5.387 -2.306 -5.765
252 HA CYS 36 HA CYS 36 -6.668 -1.457 -3.287
253 HB2 CYS 36 HB3 CYS 36 -6.610 0.031 -5.306
254 HB3 CYS 36 HB2 CYS 36 -7.634 -1.133 -6.139
255 H ASN 37 H ASN 37 -7.035 -3.511 -2.455
256 HA ASN 37 HA ASN 37 -8.191 -5.632 -3.963
257 HB2 ASN 37 HB3 ASN 37 -7.980 -6.910 -1.975
258 HB3 ASN 37 HB2 ASN 37 -6.616 -5.797 -1.950
259 HD21 ASN 37 HD21 ASN 37 -7.767 -7.163 0.252
260 HD22 ASN 37 HD22 ASN 37 -8.270 -5.932 1.351
261 H TYR 38 H TYR 38 -10.190 -6.784 -3.232
262 HA TYR 38 HA TYR 38 -12.212 -4.862 -2.307
263 HB2 TYR 38 HB2 TYR 38 -12.699 -5.810 -4.532
264 HB3 TYR 38 HB3 TYR 38 -12.659 -7.431 -3.841
265 HD1 TYR 38 HD1 TYR 38 -14.302 -4.161 -3.103
266 HD2 TYR 38 HD2 TYR 38 -14.729 -8.381 -3.394
267 HE1 TYR 38 HE1 TYR 38 -16.679 -3.952 -2.529
268 HE2 TYR 38 HE2 TYR 38 -17.112 -8.184 -2.817
269 HH TYR 38 HH TYR 38 -18.645 -6.683 -1.781
270 H VAL 39 H VAL 39 -11.301 -5.333 -0.142
271 HA VAL 39 HA VAL 39 -12.196 -7.803 1.034
272 HB VAL 39 HB VAL 39 -10.302 -6.795 2.088
273 HG11 VAL 39 HG21 VAL 39 -10.567 -4.504 1.404
274 HG12 VAL 39 HG22 VAL 39 -10.391 -4.574 3.157
275 HG13 VAL 39 HG23 VAL 39 -11.981 -4.321 2.440
276 HG21 VAL 39 HG13 VAL 39 -11.080 -6.523 4.406
277 HG22 VAL 39 HG11 VAL 39 -11.812 -7.912 3.605
278 HG23 VAL 39 HG12 VAL 39 -12.741 -6.428 3.819
279 H PHE 40 H PHE 40 -14.279 -8.150 0.976
280 HA PHE 40 HA PHE 40 -16.335 -6.461 0.486
281 HB2 PHE 40 HB2 PHE 40 -16.421 -8.960 0.551
282 HB3 PHE 40 HB3 PHE 40 -16.511 -8.874 2.300
283 HD1 PHE 40 HD2 PHE 40 -18.285 -8.191 -0.835
284 HD2 PHE 40 HD1 PHE 40 -18.556 -8.317 3.409
285 HE1 PHE 40 HE2 PHE 40 -20.734 -8.036 -0.992
286 HE2 PHE 40 HE1 PHE 40 -21.007 -8.166 3.259
287 HZ PHE 40 HZ PHE 40 -22.098 -8.023 1.059
288 HA PRO 41 HA PRO 41 -18.107 -5.796 0.652
289 HB2 PRO 41 HB3 PRO 41 -19.873 -3.899 1.168
290 HB3 PRO 41 HB2 PRO 41 -19.923 -5.427 2.056
291 HG2 PRO 41 HG3 PRO 41 -18.982 -2.748 2.946
292 HG3 PRO 41 HG2 PRO 41 -19.754 -4.038 3.883
293 HD2 PRO 41 HD3 PRO 41 -16.962 -3.476 3.665
294 HD3 PRO 41 HD2 PRO 41 -17.727 -4.832 4.514
295 H ALA 42 H ALA 42 -15.568 -4.015 1.118
296 HA ALA 42 HA ALA 42 -16.223 -2.071 -0.967
297 HB1 ALA 42 HB1 ALA 42 -15.322 -0.195 0.280
298 HB2 ALA 42 HB2 ALA 42 -15.029 -1.239 1.671
299 HB3 ALA 42 HB3 ALA 42 -16.680 -0.919 1.141
300 H HIS 43 H HIS 43 -14.331 -0.969 -1.844
301 HA HIS 43 HA HIS 43 -12.022 -2.721 -1.930
302 HB2 HIS 43 HB3 HIS 43 -12.831 -0.275 -3.484
303 HB3 HIS 43 HB2 HIS 43 -11.188 -0.898 -3.569
304 HD1 HIS 43 HD1 HIS 43 -10.791 -3.000 -4.947
305 HD2 HIS 43 HD2 HIS 43 -14.800 -1.937 -4.666
306 HE1 HIS 43 HE1 HIS 43 -11.991 -4.439 -6.625
307 HE2 HIS 43 HE2 HIS 43 -14.385 -3.652 -6.556
308 H LYS 44 H LYS 44 -10.218 -2.436 -0.840
309 HA LYS 44 HA LYS 44 -9.759 0.168 0.454
310 HB2 LYS 44 HB3 LYS 44 -9.228 -2.626 1.440
311 HB3 LYS 44 HB2 LYS 44 -8.367 -1.245 2.100
312 HG2 LYS 44 HG3 LYS 44 -11.347 -1.610 2.106
313 HG3 LYS 44 HG2 LYS 44 -10.277 -1.892 3.478
314 HD2 LYS 44 HD3 LYS 44 -9.544 0.540 3.166
315 HD3 LYS 44 HD2 LYS 44 -10.960 0.704 2.126
316 HE2 LYS 44 HE3 LYS 44 -10.908 -0.061 5.037
317 HE3 LYS 44 HE2 LYS 44 -11.543 1.424 4.334
318 HZ1 LYS 44 HZ1 LYS 44 -13.235 0.111 3.206
319 HZ2 LYS 44 HZ2 LYS 44 -13.317 -0.102 4.880
320 HZ3 LYS 44 HZ3 LYS 44 -12.633 -1.304 3.909
321 H CYS 45 H CYS 45 -7.422 0.500 0.967
322 HA CYS 45 HA CYS 45 -5.809 -0.288 -1.345
323 HB2 CYS 45 HB3 CYS 45 -5.936 2.125 -0.811
324 HB3 CYS 45 HB2 CYS 45 -5.267 1.800 0.784
325 H ILE 46 H ILE 46 -4.536 -1.993 -1.095
326 HA ILE 46 HA ILE 46 -3.634 -2.641 1.628
327 HB ILE 46 HB ILE 46 -4.305 -4.533 -0.635
328 HG12 ILE 46 HG13 ILE 46 -6.263 -3.682 0.506
329 HG13 ILE 46 HG12 ILE 46 -6.009 -5.379 0.880
330 HG21 ILE 46 HG21 ILE 46 -2.345 -5.298 0.602
331 HG22 ILE 46 HG22 ILE 46 -3.747 -6.334 0.884
332 HG23 ILE 46 HG23 ILE 46 -3.251 -5.164 2.110
333 HD11 ILE 46 HD11 ILE 46 -6.686 -4.261 2.851
334 HD12 ILE 46 HD12 ILE 46 -5.444 -3.028 2.648
335 HD13 ILE 46 HD13 ILE 46 -4.985 -4.690 3.024
336 H CYS 47 H CYS 47 -1.552 -2.344 1.911
337 HA CYS 47 HA CYS 47 0.263 -2.151 -0.339
338 HB2 CYS 47 HB3 CYS 47 0.845 -1.929 2.625
339 HB3 CYS 47 HB2 CYS 47 1.899 -1.424 1.312
340 H TYR 48 H TYR 48 2.017 -3.523 -0.703
341 HA TYR 48 HA TYR 48 1.836 -6.122 0.665
342 HB2 TYR 48 HB2 TYR 48 2.740 -5.386 -2.111
343 HB3 TYR 48 HB3 TYR 48 3.066 -6.958 -1.397
344 HD1 TYR 48 HD2 TYR 48 0.038 -4.758 -1.514
345 HD2 TYR 48 HD1 TYR 48 1.728 -8.568 -2.322
346 HE1 TYR 48 HE2 TYR 48 -2.141 -5.538 -2.302
347 HE2 TYR 48 HE1 TYR 48 -0.452 -9.373 -3.103
348 HH TYR 48 HH TYR 48 -2.993 -7.343 -3.865
349 H PHE 49 H PHE 49 3.424 -6.644 1.963
350 HA PHE 49 HA PHE 49 6.050 -5.378 1.572
351 HB2 PHE 49 HB2 PHE 49 4.719 -6.283 4.134
352 HB3 PHE 49 HB3 PHE 49 6.373 -5.697 4.025
353 HD1 PHE 49 HD1 PHE 49 6.842 -3.361 3.607
354 HD2 PHE 49 HD2 PHE 49 2.838 -4.760 3.961
355 HE1 PHE 49 HE1 PHE 49 6.056 -1.048 3.876
356 HE2 PHE 49 HE2 PHE 49 2.049 -2.460 4.230
357 HZ PHE 49 HZ PHE 49 3.656 -0.590 4.187
358 HA PRO 50 HA PRO 50 7.760 -9.374 0.732
359 HB2 PRO 50 HB3 PRO 50 10.048 -8.353 2.336
360 HB3 PRO 50 HB2 PRO 50 10.031 -9.068 0.719
361 HG2 PRO 50 HG3 PRO 50 10.333 -6.443 1.029
362 HG3 PRO 50 HG2 PRO 50 9.342 -7.090 -0.290
363 HD2 PRO 50 HD3 PRO 50 8.485 -5.842 2.290
364 HD3 PRO 50 HD2 PRO 50 7.757 -5.718 0.675
365 H CYS 51 H CYS 51 7.067 -11.068 1.782
366 HA CYS 51 HA CYS 51 6.701 -10.989 4.639
367 HB2 CYS 51 HB3 CYS 51 5.153 -12.038 2.818
368 HB3 CYS 51 HB2 CYS 51 6.226 -13.426 2.959
Start of MODEL 9
1 HA PCA 1 HA PCA 1 8.650 -15.945 -1.505
2 HB2 PCA 1 HB2 PCA 1 10.528 -14.716 -1.742
3 HB3 PCA 1 HB3 PCA 1 9.844 -13.843 -3.120
4 HG2 PCA 1 HG2 PCA 1 11.123 -15.123 -4.510
5 H ARG 2 H ARG 2 6.424 -15.631 -1.429
6 HA ARG 2 HA ARG 2 5.207 -13.738 -3.265
7 HB2 ARG 2 HB3 ARG 2 4.131 -15.542 -1.124
8 HB3 ARG 2 HB2 ARG 2 3.124 -14.363 -1.941
9 HG2 ARG 2 HG3 ARG 2 4.727 -16.366 -3.466
10 HG3 ARG 2 HG2 ARG 2 3.143 -16.761 -2.804
11 HD2 ARG 2 HD3 ARG 2 3.560 -14.304 -4.442
12 HD3 ARG 2 HD2 ARG 2 3.291 -15.867 -5.219
13 HE ARG 2 HE ARG 2 1.304 -15.435 -3.271
14 HH11 ARG 2 HH11 ARG 2 2.277 -14.250 -6.420
15 HH12 ARG 2 HH12 ARG 2 0.669 -13.785 -6.874
16 HH21 ARG 2 HH22 ARG 2 -0.803 -14.821 -3.871
17 HH22 ARG 2 HH21 ARG 2 -1.080 -14.115 -5.436
18 H LEU 3 H LEU 3 3.355 -12.459 -1.951
19 HA LEU 3 HA LEU 3 4.905 -10.690 -0.192
20 HB2 LEU 3 HB3 LEU 3 2.511 -10.081 -1.926
21 HB3 LEU 3 HB2 LEU 3 3.388 -8.924 -0.946
22 HG LEU 3 HG LEU 3 4.642 -10.450 -3.222
23 HD11 LEU 3 HD11 LEU 3 2.834 -9.069 -4.081
24 HD12 LEU 3 HD12 LEU 3 4.406 -8.413 -4.540
25 HD13 LEU 3 HD13 LEU 3 3.487 -7.668 -3.231
26 HD21 LEU 3 HD21 LEU 3 6.331 -8.659 -3.078
27 HD22 LEU 3 HD22 LEU 3 6.238 -9.636 -1.616
28 HD23 LEU 3 HD23 LEU 3 5.509 -8.031 -1.651
29 H CYS 4 H CYS 4 4.026 -9.953 1.696
30 HA CYS 4 HA CYS 4 1.464 -11.143 2.505
31 HB2 CYS 4 HB3 CYS 4 3.838 -10.235 4.139
32 HB3 CYS 4 HB2 CYS 4 2.276 -10.631 4.851
33 H GLU 5 H GLU 5 -0.194 -9.840 2.979
34 HA GLU 5 HA GLU 5 0.130 -7.120 2.066
35 HB2 GLU 5 HB2 GLU 5 -2.499 -8.114 3.034
36 HB3 GLU 5 HB3 GLU 5 -2.118 -7.077 1.670
37 HG2 GLU 5 HG2 GLU 5 -2.854 -8.991 0.658
38 HG3 GLU 5 HG3 GLU 5 -1.104 -9.188 0.626
39 H LYS 6 H LYS 6 -0.395 -5.289 3.123
40 HA LYS 6 HA LYS 6 -1.132 -5.430 5.960
41 HB2 LYS 6 HB3 LYS 6 1.303 -5.042 5.813
42 HB3 LYS 6 HB2 LYS 6 1.015 -3.662 4.771
43 HG2 LYS 6 HG3 LYS 6 -0.226 -2.583 6.629
44 HG3 LYS 6 HG2 LYS 6 0.242 -3.935 7.664
45 HD2 LYS 6 HD3 LYS 6 2.612 -3.415 7.226
46 HD3 LYS 6 HD2 LYS 6 2.112 -2.032 6.254
47 HE2 LYS 6 HE3 LYS 6 2.726 -1.271 8.453
48 HE3 LYS 6 HE2 LYS 6 0.987 -1.084 8.237
49 HZ1 LYS 6 HZ1 LYS 6 2.334 -3.280 9.713
50 HZ2 LYS 6 HZ2 LYS 6 0.667 -3.137 9.492
51 HZ3 LYS 6 HZ3 LYS 6 1.500 -1.983 10.405
52 HA PRO 7 HA PRO 7 -4.220 -2.666 4.303
53 HB2 PRO 7 HB3 PRO 7 -4.630 -1.903 7.124
54 HB3 PRO 7 HB2 PRO 7 -5.781 -2.565 5.966
55 HG2 PRO 7 HG3 PRO 7 -4.822 -4.045 7.984
56 HG3 PRO 7 HG2 PRO 7 -5.161 -4.749 6.392
57 HD2 PRO 7 HD3 PRO 7 -2.539 -3.968 7.602
58 HD3 PRO 7 HD2 PRO 7 -2.940 -5.373 6.593
59 H SER 8 H SER 8 -4.098 -0.628 3.621
60 HA SER 8 HA SER 8 -1.785 0.855 3.877
61 HB2 SER 8 HB2 SER 8 -3.065 2.689 2.816
62 HB3 SER 8 HB3 SER 8 -3.375 1.136 2.037
63 HG SER 8 HG SER 8 -5.051 1.781 4.141
64 H GLY 9 H GLY 9 -0.986 2.161 5.367
65 HA2 GLY 9 HA2 GLY 9 -2.779 3.124 7.498
66 HA3 GLY 9 HA3 GLY 9 -1.024 3.042 7.586
67 H THR 10 H THR 10 -1.859 4.120 4.587
68 HA THR 10 HA THR 10 -1.588 6.932 5.425
69 HB THR 10 HB THR 10 -0.408 7.267 3.217
70 HG1 THR 10 HG1 THR 10 -0.098 4.419 3.295
71 HG21 THR 10 HG21 THR 10 1.745 6.411 4.025
72 HG22 THR 10 HG22 THR 10 0.905 5.402 5.200
73 HG23 THR 10 HG23 THR 10 0.823 7.159 5.329
74 H TRP 11 H TRP 11 -3.640 4.751 4.194
75 HA TRP 11 HA TRP 11 -5.065 6.752 2.575
76 HB2 TRP 11 HB3 TRP 11 -3.988 4.701 1.368
77 HB3 TRP 11 HB2 TRP 11 -5.309 3.800 2.074
78 HD1 TRP 11 HD1 TRP 11 -7.852 4.682 1.271
79 HE1 TRP 11 HE1 TRP 11 -8.597 5.627 -0.995
80 HE3 TRP 11 HE3 TRP 11 -3.273 5.902 -0.632
81 HZ2 TRP 11 HZ2 TRP 11 -7.399 6.710 -3.300
82 HZ3 TRP 11 HZ3 TRP 11 -3.159 6.875 -2.886
83 HH2 TRP 11 HH2 TRP 11 -5.180 7.269 -4.195
84 H SER 12 H SER 12 -7.445 6.078 2.433
85 HA SER 12 HA SER 12 -8.508 4.573 4.625
86 HB2 SER 12 HB2 SER 12 -7.821 6.760 5.690
87 HB3 SER 12 HB3 SER 12 -9.013 7.557 4.663
88 HG SER 12 HG SER 12 -10.369 7.080 6.185
89 H GLY 13 H GLY 13 -10.474 3.820 4.096
90 HA2 GLY 13 HA2 GLY 13 -12.642 3.884 3.205
91 HA3 GLY 13 HA3 GLY 13 -12.219 5.355 2.339
92 H VAL 14 H VAL 14 -13.393 4.171 0.587
93 HA VAL 14 HA VAL 14 -12.037 1.972 -0.647
94 HB VAL 14 HB VAL 14 -14.243 3.736 -1.710
95 HG11 VAL 14 HG21 VAL 14 -13.079 2.623 -3.494
96 HG12 VAL 14 HG22 VAL 14 -14.662 1.882 -3.266
97 HG13 VAL 14 HG23 VAL 14 -13.215 1.078 -2.658
98 HG21 VAL 14 HG13 VAL 14 -14.386 1.042 -0.364
99 HG22 VAL 14 HG11 VAL 14 -15.747 1.902 -1.085
100 HG23 VAL 14 HG12 VAL 14 -14.921 2.576 0.321
101 H CYS 15 H CYS 15 -10.326 2.164 -1.887
102 HA CYS 15 HA CYS 15 -9.518 4.776 -2.859
103 HB2 CYS 15 HB3 CYS 15 -7.451 3.431 -3.579
104 HB3 CYS 15 HB2 CYS 15 -7.742 3.621 -1.858
105 H GLY 16 H GLY 16 -9.449 5.384 -4.924
106 HA2 GLY 16 HA2 GLY 16 -11.142 3.983 -6.764
107 HA3 GLY 16 HA3 GLY 16 -10.306 5.502 -7.053
108 H ASN 17 H ASN 17 -7.702 4.499 -6.449
109 HA ASN 17 HA ASN 17 -7.282 2.915 -8.896
110 HB2 ASN 17 HB3 ASN 17 -5.705 5.251 -7.823
111 HB3 ASN 17 HB2 ASN 17 -5.187 4.260 -9.182
112 HD21 ASN 17 HD21 ASN 17 -7.378 6.670 -8.044
113 HD22 ASN 17 HD22 ASN 17 -7.977 7.150 -9.588
114 H ASN 18 H ASN 18 -6.326 1.047 -8.513
115 HA ASN 18 HA ASN 18 -5.231 0.335 -6.003
116 HB2 ASN 18 HB3 ASN 18 -4.586 -1.763 -7.071
117 HB3 ASN 18 HB2 ASN 18 -6.230 -1.330 -7.514
118 HD21 ASN 18 HD21 ASN 18 -4.267 -3.077 -8.817
119 HD22 ASN 18 HD22 ASN 18 -4.101 -2.478 -10.429
120 H GLY 19 H GLY 19 -3.854 1.542 -8.968
121 HA2 GLY 19 HA2 GLY 19 -1.143 1.062 -8.213
122 HA3 GLY 19 HA3 GLY 19 -1.686 2.066 -9.535
123 H ALA 20 H ALA 20 -3.316 3.831 -8.025
124 HA ALA 20 HA ALA 20 -1.427 5.666 -6.991
125 HB1 ALA 20 HB1 ALA 20 -3.319 6.974 -6.245
126 HB2 ALA 20 HB2 ALA 20 -4.390 5.582 -6.384
127 HB3 ALA 20 HB3 ALA 20 -3.694 6.304 -7.835
128 H CYS 21 H CYS 21 -3.578 3.310 -5.508
129 HA CYS 21 HA CYS 21 -2.858 3.649 -2.827
130 HB2 CYS 21 HB3 CYS 21 -4.727 2.245 -3.418
131 HB3 CYS 21 HB2 CYS 21 -3.703 1.198 -4.391
132 H ARG 22 H ARG 22 -1.433 1.613 -5.387
133 HA ARG 22 HA ARG 22 0.570 0.426 -3.833
134 HB2 ARG 22 HB3 ARG 22 0.069 -0.451 -6.012
135 HB3 ARG 22 HB2 ARG 22 0.479 1.076 -6.779
136 HG2 ARG 22 HG3 ARG 22 2.800 0.773 -6.319
137 HG3 ARG 22 HG2 ARG 22 2.469 -0.624 -5.292
138 HD2 ARG 22 HD3 ARG 22 1.795 -1.936 -7.138
139 HD3 ARG 22 HD2 ARG 22 1.745 -0.547 -8.208
140 HE ARG 22 HE ARG 22 4.329 -1.294 -7.056
141 HH11 ARG 22 HH11 ARG 22 2.194 -1.164 -9.827
142 HH12 ARG 22 HH12 ARG 22 3.448 -1.518 -10.973
143 HH21 ARG 22 HH22 ARG 22 5.988 -1.768 -8.567
144 HH22 ARG 22 HH21 ARG 22 5.605 -1.864 -10.258
145 H ASN 23 H ASN 23 0.699 3.335 -5.851
146 HA ASN 23 HA ASN 23 3.386 3.899 -5.508
147 HB2 ASN 23 HB3 ASN 23 0.967 5.466 -6.283
148 HB3 ASN 23 HB2 ASN 23 2.481 6.301 -6.035
149 HD21 ASN 23 HD21 ASN 23 0.993 6.040 -8.463
150 HD22 ASN 23 HD22 ASN 23 2.014 5.227 -9.598
151 H GLN 24 H GLN 24 0.613 4.797 -3.512
152 HA GLN 24 HA GLN 24 2.063 6.641 -1.894
153 HB2 GLN 24 HB2 GLN 24 -0.610 5.867 -2.094
154 HB3 GLN 24 HB3 GLN 24 -0.116 5.337 -0.494
155 HG2 GLN 24 HG3 GLN 24 0.768 7.646 -0.101
156 HG3 GLN 24 HG2 GLN 24 0.019 8.118 -1.622
157 HE21 GLN 24 HE21 GLN 24 -1.288 5.870 0.752
158 HE22 GLN 24 HE22 GLN 24 -2.659 6.832 1.156
159 H CYS 25 H CYS 25 1.185 3.227 -1.555
160 HA CYS 25 HA CYS 25 2.415 2.715 0.901
161 HB2 CYS 25 HB3 CYS 25 2.100 0.888 -1.492
162 HB3 CYS 25 HB2 CYS 25 2.527 0.362 0.128
163 H ILE 26 H ILE 26 3.757 2.723 -2.384
164 HA ILE 26 HA ILE 26 6.306 1.732 -1.907
165 HB ILE 26 HB ILE 26 5.765 4.089 -3.716
166 HG12 ILE 26 HG13 ILE 26 4.111 2.439 -4.291
167 HG13 ILE 26 HG12 ILE 26 5.370 2.420 -5.520
168 HG21 ILE 26 HG21 ILE 26 7.794 1.872 -3.846
169 HG22 ILE 26 HG22 ILE 26 8.101 3.547 -3.390
170 HG23 ILE 26 HG23 ILE 26 7.599 3.159 -5.033
171 HD11 ILE 26 HD11 ILE 26 6.331 0.437 -4.492
172 HD12 ILE 26 HD12 ILE 26 4.646 0.191 -4.954
173 HD13 ILE 26 HD13 ILE 26 5.067 0.469 -3.264
174 H ARG 27 H ARG 27 5.304 5.103 -1.981
175 HA ARG 27 HA ARG 27 7.834 6.128 -1.207
176 HB2 ARG 27 HB3 ARG 27 5.165 7.532 -1.048
177 HB3 ARG 27 HB2 ARG 27 6.751 8.280 -1.168
178 HG2 ARG 27 HG3 ARG 27 7.022 7.482 -3.410
179 HG3 ARG 27 HG2 ARG 27 5.535 6.537 -3.290
180 HD2 ARG 27 HD3 ARG 27 5.148 8.593 -4.533
181 HD3 ARG 27 HD2 ARG 27 4.247 8.593 -3.021
182 HE ARG 27 HE ARG 27 6.765 9.876 -2.711
183 HH11 ARG 27 HH11 ARG 27 3.543 10.346 -3.999
184 HH12 ARG 27 HH12 ARG 27 3.592 12.073 -3.844
185 HH21 ARG 27 HH22 ARG 27 6.841 12.142 -2.497
186 HH22 ARG 27 HH21 ARG 27 5.474 13.097 -2.980
187 H LEU 28 H LEU 28 4.722 6.109 0.521
188 HA LEU 28 HA LEU 28 5.986 7.293 2.822
189 HB2 LEU 28 HB3 LEU 28 3.150 6.355 2.418
190 HB3 LEU 28 HB2 LEU 28 3.722 7.318 3.768
191 HG LEU 28 HG LEU 28 3.684 8.196 0.878
192 HD11 LEU 28 HD11 LEU 28 1.972 9.021 3.217
193 HD12 LEU 28 HD12 LEU 28 1.451 8.056 1.836
194 HD13 LEU 28 HD13 LEU 28 1.933 9.736 1.605
195 HD21 LEU 28 HD21 LEU 28 5.536 9.197 2.084
196 HD22 LEU 28 HD22 LEU 28 4.452 9.679 3.387
197 HD23 LEU 28 HD23 LEU 28 4.281 10.398 1.787
198 H GLU 29 H GLU 29 4.563 4.136 2.052
199 HA GLU 29 HA GLU 29 5.095 3.326 4.807
200 HB2 GLU 29 HB2 GLU 29 3.363 2.001 2.718
201 HB3 GLU 29 HB3 GLU 29 3.544 1.465 4.381
202 HG2 GLU 29 HG2 GLU 29 2.810 3.858 5.001
203 HG3 GLU 29 HG3 GLU 29 2.224 3.932 3.344
204 H LYS 30 H LYS 30 6.632 3.264 2.003
205 HA LYS 30 HA LYS 30 8.451 2.202 1.183
206 HB2 LYS 30 HB3 LYS 30 8.628 1.119 3.990
207 HB3 LYS 30 HB2 LYS 30 9.909 1.036 2.788
208 HG2 LYS 30 HG3 LYS 30 9.952 3.497 2.698
209 HG3 LYS 30 HG2 LYS 30 8.725 3.543 3.964
210 HD2 LYS 30 HD3 LYS 30 10.914 3.883 4.929
211 HD3 LYS 30 HD2 LYS 30 10.264 2.331 5.460
212 HE2 LYS 30 HE3 LYS 30 11.622 1.173 3.824
213 HE3 LYS 30 HE2 LYS 30 12.212 2.707 3.188
214 HZ1 LYS 30 HZ1 LYS 30 13.818 1.687 4.667
215 HZ2 LYS 30 HZ2 LYS 30 12.693 1.669 5.929
216 HZ3 LYS 30 HZ3 LYS 30 13.258 3.144 5.321
217 H ALA 31 H ALA 31 5.948 0.947 0.785
218 HA ALA 31 HA ALA 31 6.417 -1.914 1.023
219 HB1 ALA 31 HB1 ALA 31 4.159 -0.875 1.365
220 HB2 ALA 31 HB2 ALA 31 4.198 -2.188 0.184
221 HB3 ALA 31 HB3 ALA 31 4.140 -0.514 -0.363
222 H ARG 32 H ARG 32 6.583 -3.317 -0.768
223 HA ARG 32 HA ARG 32 7.913 -2.158 -3.043
224 HB2 ARG 32 HB3 ARG 32 7.256 -5.020 -2.340
225 HB3 ARG 32 HB2 ARG 32 8.228 -4.521 -3.717
226 HG2 ARG 32 HG3 ARG 32 8.892 -3.991 -0.833
227 HG3 ARG 32 HG2 ARG 32 9.602 -5.249 -1.838
228 HD2 ARG 32 HD3 ARG 32 9.822 -2.270 -2.217
229 HD3 ARG 32 HD2 ARG 32 11.111 -3.379 -1.756
230 HE ARG 32 HE ARG 32 10.454 -4.393 -4.106
231 HH11 ARG 32 HH11 ARG 32 10.864 -1.038 -3.179
232 HH12 ARG 32 HH12 ARG 32 11.366 -0.535 -4.764
233 HH21 ARG 32 HH22 ARG 32 11.109 -3.723 -6.193
234 HH22 ARG 32 HH21 ARG 32 11.504 -2.054 -6.470
235 H HIS 33 H HIS 33 4.823 -3.668 -2.316
236 HA HIS 33 HA HIS 33 3.871 -2.694 -4.905
237 HB2 HIS 33 HB3 HIS 33 4.385 -5.150 -5.121
238 HB3 HIS 33 HB2 HIS 33 3.176 -5.463 -3.883
239 HD1 HIS 33 HD1 HIS 33 3.288 -3.609 -7.203
240 HD2 HIS 33 HD2 HIS 33 0.769 -6.065 -4.992
241 HE1 HIS 33 HE1 HIS 33 1.157 -3.741 -8.519
242 HE2 HIS 33 HE2 HIS 33 -0.302 -5.360 -7.243
243 H GLY 34 H GLY 34 1.442 -2.659 -4.966
244 HA2 GLY 34 HA2 GLY 34 0.009 -2.850 -2.479
245 HA3 GLY 34 HA3 GLY 34 0.246 -1.200 -3.026
246 H SER 35 H SER 35 -2.288 -2.537 -2.790
247 HA SER 35 HA SER 35 -3.375 -1.868 -5.324
248 HB2 SER 35 HB2 SER 35 -2.358 -4.148 -5.788
249 HB3 SER 35 HB3 SER 35 -3.521 -4.811 -4.644
250 HG SER 35 HG SER 35 -4.106 -4.803 -6.964
251 H CYS 36 H CYS 36 -5.680 -1.959 -5.322
252 HA CYS 36 HA CYS 36 -6.795 -1.736 -2.684
253 HB2 CYS 36 HB3 CYS 36 -7.882 -1.238 -5.455
254 HB3 CYS 36 HB2 CYS 36 -8.805 -1.010 -3.985
255 H ASN 37 H ASN 37 -6.647 -3.953 -2.082
256 HA ASN 37 HA ASN 37 -7.730 -6.082 -3.561
257 HB2 ASN 37 HB3 ASN 37 -7.180 -7.423 -1.759
258 HB3 ASN 37 HB2 ASN 37 -6.152 -6.029 -1.441
259 HD21 ASN 37 HD21 ASN 37 -7.963 -4.255 -0.390
260 HD22 ASN 37 HD22 ASN 37 -8.494 -4.868 1.131
261 H TYR 38 H TYR 38 -9.622 -7.418 -2.934
262 HA TYR 38 HA TYR 38 -11.885 -5.630 -2.444
263 HB2 TYR 38 HB2 TYR 38 -11.899 -6.927 -4.537
264 HB3 TYR 38 HB3 TYR 38 -11.852 -8.420 -3.605
265 HD1 TYR 38 HD2 TYR 38 -13.874 -5.288 -3.779
266 HD2 TYR 38 HD1 TYR 38 -13.864 -9.505 -3.277
267 HE1 TYR 38 HE2 TYR 38 -16.323 -5.272 -3.655
268 HE2 TYR 38 HE1 TYR 38 -16.317 -9.501 -3.147
269 HH TYR 38 HH TYR 38 -18.137 -8.045 -2.695
270 H VAL 39 H VAL 39 -11.551 -5.598 -0.140
271 HA VAL 39 HA VAL 39 -12.324 -7.988 1.309
272 HB VAL 39 HB VAL 39 -12.143 -5.137 2.324
273 HG11 VAL 39 HG21 VAL 39 -13.557 -6.578 3.695
274 HG12 VAL 39 HG22 VAL 39 -12.065 -6.170 4.540
275 HG13 VAL 39 HG23 VAL 39 -12.257 -7.762 3.806
276 HG21 VAL 39 HG13 VAL 39 -9.983 -5.947 1.490
277 HG22 VAL 39 HG11 VAL 39 -10.117 -7.362 2.534
278 HG23 VAL 39 HG12 VAL 39 -9.977 -5.752 3.243
279 H PHE 40 H PHE 40 -14.339 -8.638 0.987
280 HA PHE 40 HA PHE 40 -16.395 -7.289 -0.186
281 HB2 PHE 40 HB2 PHE 40 -16.339 -9.729 0.202
282 HB3 PHE 40 HB3 PHE 40 -16.657 -9.450 1.905
283 HD1 PHE 40 HD2 PHE 40 -18.092 -9.281 -1.471
284 HD2 PHE 40 HD1 PHE 40 -18.845 -9.001 2.706
285 HE1 PHE 40 HE2 PHE 40 -20.512 -9.377 -1.904
286 HE2 PHE 40 HE1 PHE 40 -21.265 -9.098 2.281
287 HZ PHE 40 HZ PHE 40 -22.101 -9.286 -0.026
288 HA PRO 41 HA PRO 41 -18.079 -6.710 -0.528
289 HB2 PRO 41 HB3 PRO 41 -20.066 -4.947 -0.688
290 HB3 PRO 41 HB2 PRO 41 -20.238 -6.418 0.277
291 HG2 PRO 41 HG3 PRO 41 -19.850 -3.617 1.163
292 HG3 PRO 41 HG2 PRO 41 -20.657 -4.957 1.992
293 HD2 PRO 41 HD3 PRO 41 -17.970 -4.007 2.359
294 HD3 PRO 41 HD2 PRO 41 -18.771 -5.361 3.180
295 H ALA 42 H ALA 42 -15.957 -4.640 0.449
296 HA ALA 42 HA ALA 42 -16.318 -2.690 -1.735
297 HB1 ALA 42 HB1 ALA 42 -15.295 -2.084 1.036
298 HB2 ALA 42 HB2 ALA 42 -16.896 -1.673 0.421
299 HB3 ALA 42 HB3 ALA 42 -15.461 -0.933 -0.289
300 H HIS 43 H HIS 43 -14.099 -1.317 -1.767
301 HA HIS 43 HA HIS 43 -11.897 -3.269 -1.828
302 HB2 HIS 43 HB3 HIS 43 -12.507 -0.939 -3.634
303 HB3 HIS 43 HB2 HIS 43 -10.875 -1.582 -3.499
304 HD1 HIS 43 HD1 HIS 43 -10.332 -3.643 -4.833
305 HD2 HIS 43 HD2 HIS 43 -14.408 -2.812 -4.739
306 HE1 HIS 43 HE1 HIS 43 -11.384 -5.227 -6.474
307 HE2 HIS 43 HE2 HIS 43 -13.861 -4.792 -6.312
308 H LYS 44 H LYS 44 -10.108 -2.830 -0.714
309 HA LYS 44 HA LYS 44 -9.877 -0.174 0.540
310 HB2 LYS 44 HB3 LYS 44 -9.447 -2.901 1.741
311 HB3 LYS 44 HB2 LYS 44 -8.710 -1.463 2.431
312 HG2 LYS 44 HG3 LYS 44 -11.655 -1.766 1.988
313 HG3 LYS 44 HG2 LYS 44 -10.850 -2.183 3.501
314 HD2 LYS 44 HD3 LYS 44 -9.955 0.204 3.477
315 HD3 LYS 44 HD2 LYS 44 -11.125 0.516 2.195
316 HE2 LYS 44 HE3 LYS 44 -11.743 -0.460 4.981
317 HE3 LYS 44 HE2 LYS 44 -12.017 1.167 4.366
318 HZ1 LYS 44 HZ1 LYS 44 -14.044 -0.145 4.367
319 HZ2 LYS 44 HZ2 LYS 44 -13.329 -1.301 3.363
320 HZ3 LYS 44 HZ3 LYS 44 -13.603 0.267 2.787
321 H CYS 45 H CYS 45 -7.803 0.605 0.858
322 HA CYS 45 HA CYS 45 -5.933 -0.208 -1.161
323 HB2 CYS 45 HB3 CYS 45 -6.218 2.161 -0.582
324 HB3 CYS 45 HB2 CYS 45 -5.685 1.839 1.062
325 H ILE 46 H ILE 46 -4.424 -1.713 -0.942
326 HA ILE 46 HA ILE 46 -3.595 -2.500 1.767
327 HB ILE 46 HB ILE 46 -4.371 -4.302 -0.528
328 HG12 ILE 46 HG13 ILE 46 -6.262 -3.570 0.743
329 HG13 ILE 46 HG12 ILE 46 -5.935 -5.251 1.126
330 HG21 ILE 46 HG21 ILE 46 -3.102 -5.073 2.085
331 HG22 ILE 46 HG22 ILE 46 -2.370 -5.213 0.485
332 HG23 ILE 46 HG23 ILE 46 -3.780 -6.192 0.902
333 HD11 ILE 46 HD11 ILE 46 -4.770 -4.476 3.187
334 HD12 ILE 46 HD12 ILE 46 -6.501 -4.155 3.136
335 HD13 ILE 46 HD13 ILE 46 -5.358 -2.851 2.827
336 H CYS 47 H CYS 47 -1.498 -2.267 2.014
337 HA CYS 47 HA CYS 47 0.268 -2.118 -0.285
338 HB2 CYS 47 HB3 CYS 47 1.013 -1.952 2.646
339 HB3 CYS 47 HB2 CYS 47 1.948 -1.380 1.271
340 H TYR 48 H TYR 48 1.874 -3.578 -0.750
341 HA TYR 48 HA TYR 48 1.700 -6.133 0.695
342 HB2 TYR 48 HB2 TYR 48 2.421 -5.507 -2.157
343 HB3 TYR 48 HB3 TYR 48 2.681 -7.086 -1.430
344 HD1 TYR 48 HD1 TYR 48 0.148 -4.655 -2.496
345 HD2 TYR 48 HD2 TYR 48 0.846 -8.582 -1.048
346 HE1 TYR 48 HE1 TYR 48 -2.155 -5.264 -3.072
347 HE2 TYR 48 HE2 TYR 48 -1.446 -9.213 -1.622
348 HH TYR 48 HH TYR 48 -3.636 -8.110 -1.968
349 H PHE 49 H PHE 49 3.354 -6.674 1.889
350 HA PHE 49 HA PHE 49 5.994 -5.573 1.217
351 HB2 PHE 49 HB2 PHE 49 4.915 -6.438 3.905
352 HB3 PHE 49 HB3 PHE 49 6.559 -5.894 3.610
353 HD1 PHE 49 HD1 PHE 49 3.029 -4.833 3.751
354 HD2 PHE 49 HD2 PHE 49 7.082 -3.594 3.348
355 HE1 PHE 49 HE1 PHE 49 2.350 -2.504 4.106
356 HE2 PHE 49 HE2 PHE 49 6.402 -1.261 3.709
357 HZ PHE 49 HZ PHE 49 4.030 -0.711 4.084
358 HA PRO 50 HA PRO 50 7.196 -9.641 0.084
359 HB2 PRO 50 HB3 PRO 50 9.878 -8.895 1.067
360 HB3 PRO 50 HB2 PRO 50 9.370 -9.416 -0.540
361 HG2 PRO 50 HG3 PRO 50 10.021 -6.870 -0.025
362 HG3 PRO 50 HG2 PRO 50 8.739 -7.293 -1.174
363 HD2 PRO 50 HD3 PRO 50 8.515 -6.273 1.625
364 HD3 PRO 50 HD2 PRO 50 7.505 -5.932 0.206
365 H CYS 51 H CYS 51 6.796 -11.408 1.223
366 HA CYS 51 HA CYS 51 7.774 -11.619 3.963
367 HB2 CYS 51 HB3 CYS 51 5.667 -12.932 2.407
368 HB3 CYS 51 HB2 CYS 51 6.602 -14.045 3.400
Start of MODEL 10
1 HA PCA 1 HA PCA 1 3.004 -17.802 -0.949
2 HB2 PCA 1 HB2 PCA 1 4.641 -19.348 -1.083
3 HB3 PCA 1 HB3 PCA 1 5.234 -18.569 -2.554
4 HG2 PCA 1 HG2 PCA 1 4.323 -20.219 -3.836
5 H ARG 2 H ARG 2 2.229 -15.673 -1.693
6 HA ARG 2 HA ARG 2 4.224 -14.397 -3.443
7 HB2 ARG 2 HB3 ARG 2 2.565 -12.864 -4.249
8 HB3 ARG 2 HB2 ARG 2 1.926 -14.491 -4.443
9 HG2 ARG 2 HG3 ARG 2 0.490 -14.233 -2.555
10 HG3 ARG 2 HG2 ARG 2 1.249 -12.699 -2.125
11 HD2 ARG 2 HD3 ARG 2 0.453 -11.749 -4.259
12 HD3 ARG 2 HD2 ARG 2 -0.374 -13.269 -4.599
13 HE ARG 2 HE ARG 2 -1.161 -12.238 -2.075
14 HH11 ARG 2 HH11 ARG 2 -1.607 -11.753 -5.512
15 HH12 ARG 2 HH12 ARG 2 -3.187 -11.053 -5.341
16 HH21 ARG 2 HH22 ARG 2 -3.222 -11.285 -1.831
17 HH22 ARG 2 HH21 ARG 2 -4.119 -10.817 -3.252
18 H LEU 3 H LEU 3 3.656 -11.816 -3.008
19 HA LEU 3 HA LEU 3 4.901 -11.083 -0.659
20 HB2 LEU 3 HB3 LEU 3 2.941 -9.618 -2.399
21 HB3 LEU 3 HB2 LEU 3 3.811 -8.847 -1.093
22 HG LEU 3 HG LEU 3 5.192 -10.208 -3.404
23 HD11 LEU 3 HD11 LEU 3 4.505 -7.294 -3.084
24 HD12 LEU 3 HD12 LEU 3 3.771 -8.402 -4.242
25 HD13 LEU 3 HD13 LEU 3 5.481 -7.997 -4.371
26 HD21 LEU 3 HD21 LEU 3 7.090 -8.851 -2.702
27 HD22 LEU 3 HD22 LEU 3 6.535 -9.882 -1.384
28 HD23 LEU 3 HD23 LEU 3 6.129 -8.165 -1.394
29 H CYS 4 H CYS 4 4.157 -10.147 1.282
30 HA CYS 4 HA CYS 4 1.595 -11.196 2.196
31 HB2 CYS 4 HB3 CYS 4 3.973 -10.023 3.639
32 HB3 CYS 4 HB2 CYS 4 2.458 -10.390 4.455
33 H GLU 5 H GLU 5 -0.146 -9.963 2.249
34 HA GLU 5 HA GLU 5 0.089 -7.167 1.606
35 HB2 GLU 5 HB2 GLU 5 -2.453 -8.649 2.251
36 HB3 GLU 5 HB3 GLU 5 -2.263 -7.179 1.309
37 HG2 GLU 5 HG2 GLU 5 -2.551 -8.635 -0.385
38 HG3 GLU 5 HG3 GLU 5 -0.805 -8.774 -0.207
39 H LYS 6 H LYS 6 -0.277 -5.478 2.873
40 HA LYS 6 HA LYS 6 -1.112 -5.916 5.663
41 HB2 LYS 6 HB3 LYS 6 1.443 -5.533 5.154
42 HB3 LYS 6 HB2 LYS 6 0.949 -3.867 4.933
43 HG2 LYS 6 HG3 LYS 6 0.356 -5.405 7.441
44 HG3 LYS 6 HG2 LYS 6 1.843 -4.495 7.202
45 HD2 LYS 6 HD3 LYS 6 0.414 -2.480 6.740
46 HD3 LYS 6 HD2 LYS 6 -0.974 -3.435 7.264
47 HE2 LYS 6 HE3 LYS 6 1.468 -2.806 8.919
48 HE3 LYS 6 HE2 LYS 6 -0.102 -2.025 9.069
49 HZ1 LYS 6 HZ1 LYS 6 0.268 -3.769 10.733
50 HZ2 LYS 6 HZ2 LYS 6 0.390 -4.922 9.502
51 HZ3 LYS 6 HZ3 LYS 6 -1.068 -4.101 9.751
52 HA PRO 7 HA PRO 7 -4.150 -2.869 4.358
53 HB2 PRO 7 HB3 PRO 7 -4.746 -2.059 6.966
54 HB3 PRO 7 HB2 PRO 7 -5.557 -3.348 6.073
55 HG2 PRO 7 HG3 PRO 7 -3.391 -3.524 8.113
56 HG3 PRO 7 HG2 PRO 7 -4.758 -4.615 7.824
57 HD2 PRO 7 HD3 PRO 7 -2.276 -5.251 7.048
58 HD3 PRO 7 HD2 PRO 7 -3.690 -5.687 6.064
59 H SER 8 H SER 8 -3.710 -0.894 3.657
60 HA SER 8 HA SER 8 -1.405 0.518 4.278
61 HB2 SER 8 HB2 SER 8 -2.612 0.910 2.204
62 HB3 SER 8 HB3 SER 8 -3.998 1.539 3.095
63 HG SER 8 HG SER 8 -1.383 2.671 3.080
64 H GLY 9 H GLY 9 -0.924 2.236 5.541
65 HA2 GLY 9 HA2 GLY 9 -2.944 2.954 7.575
66 HA3 GLY 9 HA3 GLY 9 -1.213 2.905 7.886
67 H THR 10 H THR 10 -1.940 4.065 4.811
68 HA THR 10 HA THR 10 -1.642 6.843 5.758
69 HB THR 10 HB THR 10 -0.532 7.248 3.499
70 HG1 THR 10 HG1 THR 10 -0.144 4.412 3.586
71 HG21 THR 10 HG21 THR 10 1.663 6.449 4.284
72 HG22 THR 10 HG22 THR 10 0.855 5.464 5.504
73 HG23 THR 10 HG23 THR 10 0.739 7.223 5.572
74 H TRP 11 H TRP 11 -3.364 4.590 3.882
75 HA TRP 11 HA TRP 11 -4.925 6.667 2.541
76 HB2 TRP 11 HB3 TRP 11 -4.032 4.470 1.457
77 HB3 TRP 11 HB2 TRP 11 -5.372 3.707 2.283
78 HD1 TRP 11 HD1 TRP 11 -7.895 4.633 1.491
79 HE1 TRP 11 HE1 TRP 11 -8.677 5.474 -0.800
80 HE3 TRP 11 HE3 TRP 11 -3.336 5.555 -0.616
81 HZ2 TRP 11 HZ2 TRP 11 -7.510 6.385 -3.198
82 HZ3 TRP 11 HZ3 TRP 11 -3.256 6.398 -2.925
83 HH2 TRP 11 HH2 TRP 11 -5.303 6.802 -4.192
84 H SER 12 H SER 12 -7.349 6.113 2.530
85 HA SER 12 HA SER 12 -8.379 4.872 4.913
86 HB2 SER 12 HB2 SER 12 -9.569 7.020 5.615
87 HB3 SER 12 HB3 SER 12 -7.840 6.943 5.949
88 HG SER 12 HG SER 12 -9.118 8.281 3.788
89 H GLY 13 H GLY 13 -10.301 4.002 4.466
90 HA2 GLY 13 HA2 GLY 13 -12.373 3.689 3.514
91 HA3 GLY 13 HA3 GLY 13 -12.256 5.302 2.834
92 H VAL 14 H VAL 14 -13.047 4.733 0.832
93 HA VAL 14 HA VAL 14 -12.041 2.526 -0.658
94 HB VAL 14 HB VAL 14 -13.675 4.901 -1.575
95 HG11 VAL 14 HG21 VAL 14 -13.249 2.197 -2.822
96 HG12 VAL 14 HG22 VAL 14 -12.641 3.739 -3.425
97 HG13 VAL 14 HG23 VAL 14 -14.375 3.424 -3.398
98 HG21 VAL 14 HG13 VAL 14 -15.614 3.431 -1.290
99 HG22 VAL 14 HG11 VAL 14 -14.777 3.703 0.237
100 HG23 VAL 14 HG12 VAL 14 -14.566 2.181 -0.625
101 H CYS 15 H CYS 15 -10.619 2.537 -2.372
102 HA CYS 15 HA CYS 15 -8.785 4.814 -2.403
103 HB2 CYS 15 HB3 CYS 15 -7.163 3.324 -3.301
104 HB3 CYS 15 HB2 CYS 15 -8.000 2.433 -2.033
105 H GLY 16 H GLY 16 -7.750 5.296 -4.591
106 HA2 GLY 16 HA2 GLY 16 -9.798 5.815 -6.538
107 HA3 GLY 16 HA3 GLY 16 -8.090 6.207 -6.693
108 H ASN 17 H ASN 17 -6.695 4.096 -6.791
109 HA ASN 17 HA ASN 17 -7.930 1.942 -8.255
110 HB2 ASN 17 HB3 ASN 17 -6.606 2.182 -10.276
111 HB3 ASN 17 HB2 ASN 17 -7.529 3.654 -10.007
112 HD21 ASN 17 HD21 ASN 17 -6.502 5.538 -9.523
113 HD22 ASN 17 HD22 ASN 17 -4.792 5.735 -9.688
114 H ASN 18 H ASN 18 -6.208 0.302 -8.908
115 HA ASN 18 HA ASN 18 -4.929 -0.569 -6.611
116 HB2 ASN 18 HB3 ASN 18 -4.413 -1.295 -9.496
117 HB3 ASN 18 HB2 ASN 18 -3.680 -2.140 -8.139
118 HD21 ASN 18 HD21 ASN 18 -5.490 -3.124 -10.194
119 HD22 ASN 18 HD22 ASN 18 -6.863 -3.761 -9.358
120 H GLY 19 H GLY 19 -3.452 1.019 -9.440
121 HA2 GLY 19 HA2 GLY 19 -0.818 0.857 -8.404
122 HA3 GLY 19 HA3 GLY 19 -1.332 1.848 -9.742
123 H ALA 20 H ALA 20 -3.257 3.389 -8.318
124 HA ALA 20 HA ALA 20 -1.652 5.417 -7.178
125 HB1 ALA 20 HB1 ALA 20 -3.808 5.969 -8.087
126 HB2 ALA 20 HB2 ALA 20 -3.834 6.345 -6.363
127 HB3 ALA 20 HB3 ALA 20 -4.622 4.882 -6.964
128 H CYS 21 H CYS 21 -3.466 2.740 -5.806
129 HA CYS 21 HA CYS 21 -2.918 3.310 -3.079
130 HB2 CYS 21 HB3 CYS 21 -4.706 1.796 -3.630
131 HB3 CYS 21 HB2 CYS 21 -3.615 0.753 -4.535
132 H ARG 22 H ARG 22 -1.379 1.268 -5.536
133 HA ARG 22 HA ARG 22 0.607 0.095 -3.960
134 HB2 ARG 22 HB3 ARG 22 0.066 -0.606 -6.248
135 HB3 ARG 22 HB2 ARG 22 0.674 0.919 -6.871
136 HG2 ARG 22 HG3 ARG 22 2.921 0.305 -6.000
137 HG3 ARG 22 HG2 ARG 22 2.267 -1.281 -5.575
138 HD2 ARG 22 HD3 ARG 22 3.371 -1.397 -7.729
139 HD3 ARG 22 HD2 ARG 22 1.634 -1.622 -7.928
140 HE ARG 22 HE ARG 22 2.948 0.973 -8.429
141 HH11 ARG 22 HH11 ARG 22 0.778 -1.596 -9.402
142 HH12 ARG 22 HH12 ARG 22 0.245 -0.772 -10.830
143 HH21 ARG 22 HH22 ARG 22 2.230 2.060 -10.313
144 HH22 ARG 22 HH21 ARG 22 1.071 1.291 -11.353
145 H ASN 23 H ASN 23 0.729 2.952 -5.986
146 HA ASN 23 HA ASN 23 3.335 3.757 -5.671
147 HB2 ASN 23 HB3 ASN 23 1.801 4.711 -7.291
148 HB3 ASN 23 HB2 ASN 23 0.806 5.380 -6.016
149 HD21 ASN 23 HD21 ASN 23 0.929 7.446 -6.600
150 HD22 ASN 23 HD22 ASN 23 2.378 8.383 -6.571
151 H GLN 24 H GLN 24 0.543 4.728 -3.725
152 HA GLN 24 HA GLN 24 1.916 6.528 -2.054
153 HB2 GLN 24 HB2 GLN 24 -0.617 6.206 -2.311
154 HB3 GLN 24 HB3 GLN 24 -0.448 4.902 -1.149
155 HG2 GLN 24 HG3 GLN 24 0.439 6.429 0.495
156 HG3 GLN 24 HG2 GLN 24 0.380 7.752 -0.667
157 HE21 GLN 24 HE21 GLN 24 -1.432 5.703 1.443
158 HE22 GLN 24 HE22 GLN 24 -2.917 6.582 1.349
159 H CYS 25 H CYS 25 1.026 3.142 -1.572
160 HA CYS 25 HA CYS 25 2.256 2.671 0.878
161 HB2 CYS 25 HB3 CYS 25 1.973 0.816 -1.499
162 HB3 CYS 25 HB2 CYS 25 2.402 0.304 0.128
163 H ILE 26 H ILE 26 3.693 2.610 -2.389
164 HA ILE 26 HA ILE 26 6.212 1.604 -1.762
165 HB ILE 26 HB ILE 26 5.830 3.870 -3.711
166 HG12 ILE 26 HG13 ILE 26 4.082 2.304 -4.256
167 HG13 ILE 26 HG12 ILE 26 5.366 2.158 -5.451
168 HG21 ILE 26 HG21 ILE 26 8.112 3.194 -3.298
169 HG22 ILE 26 HG22 ILE 26 7.631 2.733 -4.930
170 HG23 ILE 26 HG23 ILE 26 7.706 1.517 -3.657
171 HD11 ILE 26 HD11 ILE 26 4.480 0.006 -4.803
172 HD12 ILE 26 HD12 ILE 26 4.910 0.325 -3.124
173 HD13 ILE 26 HD13 ILE 26 6.174 0.161 -4.343
174 H ARG 27 H ARG 27 5.232 4.978 -2.041
175 HA ARG 27 HA ARG 27 7.773 5.969 -1.203
176 HB2 ARG 27 HB3 ARG 27 5.151 7.452 -1.440
177 HB3 ARG 27 HB2 ARG 27 6.760 8.164 -1.409
178 HG2 ARG 27 HG3 ARG 27 7.304 7.168 -3.522
179 HG3 ARG 27 HG2 ARG 27 5.781 6.271 -3.517
180 HD2 ARG 27 HD3 ARG 27 5.895 9.273 -3.442
181 HD3 ARG 27 HD2 ARG 27 5.864 8.364 -4.953
182 HE ARG 27 HE ARG 27 3.716 7.389 -4.069
183 HH11 ARG 27 HH11 ARG 27 4.815 10.587 -3.137
184 HH12 ARG 27 HH12 ARG 27 3.215 11.187 -2.846
185 HH21 ARG 27 HH22 ARG 27 1.599 8.198 -3.706
186 HH22 ARG 27 HH21 ARG 27 1.392 9.834 -3.168
187 H LEU 28 H LEU 28 4.549 6.041 0.283
188 HA LEU 28 HA LEU 28 5.603 7.448 2.571
189 HB2 LEU 28 HB3 LEU 28 2.821 6.433 2.021
190 HB3 LEU 28 HB2 LEU 28 3.274 7.471 3.359
191 HG LEU 28 HG LEU 28 3.362 8.181 0.426
192 HD11 LEU 28 HD11 LEU 28 1.122 8.178 1.369
193 HD12 LEU 28 HD12 LEU 28 1.659 9.823 1.039
194 HD13 LEU 28 HD13 LEU 28 1.662 9.210 2.693
195 HD21 LEU 28 HD21 LEU 28 4.195 9.780 2.841
196 HD22 LEU 28 HD22 LEU 28 3.996 10.432 1.215
197 HD23 LEU 28 HD23 LEU 28 5.236 9.217 1.531
198 H GLU 29 H GLU 29 4.595 4.143 1.895
199 HA GLU 29 HA GLU 29 5.044 3.545 4.740
200 HB2 GLU 29 HB2 GLU 29 3.334 2.071 2.734
201 HB3 GLU 29 HB3 GLU 29 3.634 1.529 4.376
202 HG2 GLU 29 HG2 GLU 29 2.745 3.791 5.121
203 HG3 GLU 29 HG3 GLU 29 2.154 3.960 3.470
204 H LYS 30 H LYS 30 6.638 3.512 2.031
205 HA LYS 30 HA LYS 30 8.474 2.466 1.207
206 HB2 LYS 30 HB3 LYS 30 8.683 1.472 4.055
207 HB3 LYS 30 HB2 LYS 30 9.972 1.394 2.861
208 HG2 LYS 30 HG3 LYS 30 9.949 3.853 2.715
209 HG3 LYS 30 HG2 LYS 30 8.711 3.895 3.970
210 HD2 LYS 30 HD3 LYS 30 10.256 2.785 5.518
211 HD3 LYS 30 HD2 LYS 30 11.494 2.763 4.262
212 HE2 LYS 30 HE3 LYS 30 11.924 4.609 5.740
213 HE3 LYS 30 HE2 LYS 30 11.390 5.239 4.183
214 HZ1 LYS 30 HZ1 LYS 30 10.315 6.410 5.972
215 HZ2 LYS 30 HZ2 LYS 30 9.726 4.968 6.623
216 HZ3 LYS 30 HZ3 LYS 30 9.163 5.509 5.127
217 H ALA 31 H ALA 31 5.992 1.116 0.890
218 HA ALA 31 HA ALA 31 6.526 -1.715 1.196
219 HB1 ALA 31 HB1 ALA 31 4.350 -2.035 0.185
220 HB2 ALA 31 HB2 ALA 31 4.281 -0.336 -0.277
221 HB3 ALA 31 HB3 ALA 31 4.235 -0.788 1.428
222 H ARG 32 H ARG 32 6.711 -3.169 -0.589
223 HA ARG 32 HA ARG 32 8.220 -2.033 -2.780
224 HB2 ARG 32 HB3 ARG 32 7.561 -4.911 -2.148
225 HB3 ARG 32 HB2 ARG 32 8.751 -4.345 -3.306
226 HG2 ARG 32 HG3 ARG 32 8.837 -3.971 -0.326
227 HG3 ARG 32 HG2 ARG 32 9.835 -5.065 -1.276
228 HD2 ARG 32 HD3 ARG 32 9.836 -2.055 -1.398
229 HD3 ARG 32 HD2 ARG 32 11.090 -3.076 -0.702
230 HE ARG 32 HE ARG 32 10.903 -3.912 -3.291
231 HH11 ARG 32 HH11 ARG 32 11.469 -0.842 -1.716
232 HH12 ARG 32 HH12 ARG 32 12.426 -0.205 -3.015
233 HH21 ARG 32 HH22 ARG 32 12.158 -3.079 -5.007
234 HH22 ARG 32 HH21 ARG 32 12.816 -1.477 -4.891
235 H HIS 33 H HIS 33 5.116 -3.431 -2.167
236 HA HIS 33 HA HIS 33 4.247 -2.709 -4.844
237 HB2 HIS 33 HB3 HIS 33 4.994 -5.065 -5.048
238 HB3 HIS 33 HB2 HIS 33 3.903 -5.521 -3.749
239 HD1 HIS 33 HD1 HIS 33 3.725 -4.036 -7.247
240 HD2 HIS 33 HD2 HIS 33 1.454 -6.327 -4.625
241 HE1 HIS 33 HE1 HIS 33 1.659 -4.667 -8.520
242 HE2 HIS 33 HE2 HIS 33 0.345 -6.140 -6.955
243 H GLY 34 H GLY 34 1.771 -3.002 -4.967
244 HA2 GLY 34 HA2 GLY 34 0.294 -3.398 -2.574
245 HA3 GLY 34 HA3 GLY 34 0.428 -1.688 -2.942
246 H SER 35 H SER 35 -2.006 -3.136 -2.896
247 HA SER 35 HA SER 35 -3.014 -2.514 -5.504
248 HB2 SER 35 HB2 SER 35 -2.997 -5.412 -4.605
249 HB3 SER 35 HB3 SER 35 -3.887 -4.788 -5.992
250 HG SER 35 HG SER 35 -1.384 -3.984 -6.253
251 H CYS 36 H CYS 36 -5.105 -1.913 -5.312
252 HA CYS 36 HA CYS 36 -6.427 -1.933 -2.838
253 HB2 CYS 36 HB3 CYS 36 -7.354 -1.402 -5.654
254 HB3 CYS 36 HB2 CYS 36 -8.380 -1.226 -4.249
255 H ASN 37 H ASN 37 -8.015 -3.226 -2.075
256 HA ASN 37 HA ASN 37 -8.421 -5.760 -3.530
257 HB2 ASN 37 HB3 ASN 37 -8.467 -6.865 -1.363
258 HB3 ASN 37 HB2 ASN 37 -6.985 -5.922 -1.499
259 HD21 ASN 37 HD21 ASN 37 -8.170 -6.822 0.884
260 HD22 ASN 37 HD22 ASN 37 -8.521 -5.404 1.799
261 H TYR 38 H TYR 38 -10.457 -6.916 -2.772
262 HA TYR 38 HA TYR 38 -12.556 -4.928 -2.275
263 HB2 TYR 38 HB2 TYR 38 -12.782 -6.138 -4.416
264 HB3 TYR 38 HB3 TYR 38 -12.833 -7.664 -3.541
265 HD1 TYR 38 HD2 TYR 38 -14.551 -4.696 -2.208
266 HD2 TYR 38 HD1 TYR 38 -14.981 -8.252 -4.504
267 HE1 TYR 38 HE2 TYR 38 -16.993 -4.520 -2.015
268 HE2 TYR 38 HE1 TYR 38 -17.422 -8.079 -4.320
269 HH TYR 38 HH TYR 38 -19.084 -7.053 -2.801
270 H VAL 39 H VAL 39 -11.455 -5.376 -0.005
271 HA VAL 39 HA VAL 39 -12.746 -7.501 1.410
272 HB VAL 39 HB VAL 39 -10.755 -6.640 2.409
273 HG11 VAL 39 HG21 VAL 39 -10.526 -4.323 3.184
274 HG12 VAL 39 HG22 VAL 39 -12.074 -3.933 2.434
275 HG13 VAL 39 HG23 VAL 39 -10.710 -4.428 1.433
276 HG21 VAL 39 HG13 VAL 39 -13.126 -5.697 4.016
277 HG22 VAL 39 HG11 VAL 39 -11.511 -6.009 4.652
278 HG23 VAL 39 HG12 VAL 39 -12.470 -7.334 3.990
279 H PHE 40 H PHE 40 -14.858 -7.486 0.995
280 HA PHE 40 HA PHE 40 -16.579 -5.423 0.528
281 HB2 PHE 40 HB2 PHE 40 -17.114 -7.810 0.237
282 HB3 PHE 40 HB3 PHE 40 -17.191 -8.004 1.980
283 HD1 PHE 40 HD1 PHE 40 -18.817 -6.394 -0.915
284 HD2 PHE 40 HD2 PHE 40 -19.153 -7.508 3.172
285 HE1 PHE 40 HE1 PHE 40 -21.221 -5.873 -0.975
286 HE2 PHE 40 HE2 PHE 40 -21.557 -6.988 3.125
287 HZ PHE 40 HZ PHE 40 -22.594 -6.171 1.048
288 HA PRO 41 HA PRO 41 -18.287 -4.542 0.693
289 HB2 PRO 41 HB3 PRO 41 -19.801 -2.483 1.326
290 HB3 PRO 41 HB2 PRO 41 -20.089 -4.053 2.088
291 HG2 PRO 41 HG3 PRO 41 -18.783 -1.615 3.205
292 HG3 PRO 41 HG2 PRO 41 -19.808 -2.811 4.016
293 HD2 PRO 41 HD3 PRO 41 -16.962 -2.722 3.970
294 HD3 PRO 41 HD2 PRO 41 -17.986 -4.008 4.640
295 H ALA 42 H ALA 42 -15.536 -3.286 1.321
296 HA ALA 42 HA ALA 42 -15.870 -0.974 -0.461
297 HB1 ALA 42 HB1 ALA 42 -14.439 0.415 0.926
298 HB2 ALA 42 HB2 ALA 42 -14.297 -0.887 2.107
299 HB3 ALA 42 HB3 ALA 42 -15.857 -0.115 1.828
300 H HIS 43 H HIS 43 -14.095 -0.423 -1.719
301 HA HIS 43 HA HIS 43 -11.989 -2.425 -1.922
302 HB2 HIS 43 HB3 HIS 43 -12.954 -0.202 -3.663
303 HB3 HIS 43 HB2 HIS 43 -11.272 -0.696 -3.813
304 HD1 HIS 43 HD1 HIS 43 -10.792 -2.821 -5.074
305 HD2 HIS 43 HD2 HIS 43 -14.842 -2.243 -4.348
306 HE1 HIS 43 HE1 HIS 43 -11.968 -4.612 -6.380
307 HE2 HIS 43 HE2 HIS 43 -14.423 -4.107 -6.097
308 H LYS 44 H LYS 44 -10.753 -2.114 -0.135
309 HA LYS 44 HA LYS 44 -9.821 0.513 0.598
310 HB2 LYS 44 HB3 LYS 44 -9.067 -2.209 1.668
311 HB3 LYS 44 HB2 LYS 44 -8.681 -0.667 2.415
312 HG2 LYS 44 HG3 LYS 44 -11.447 -1.758 1.979
313 HG3 LYS 44 HG2 LYS 44 -10.557 -1.788 3.490
314 HD2 LYS 44 HD3 LYS 44 -11.319 0.720 2.008
315 HD3 LYS 44 HD2 LYS 44 -12.224 0.042 3.362
316 HE2 LYS 44 HE3 LYS 44 -9.344 0.931 3.470
317 HE3 LYS 44 HE2 LYS 44 -10.717 1.879 4.032
318 HZ1 LYS 44 HZ1 LYS 44 -11.214 0.080 5.612
319 HZ2 LYS 44 HZ2 LYS 44 -9.694 0.767 5.876
320 HZ3 LYS 44 HZ3 LYS 44 -9.818 -0.735 5.115
321 H CYS 45 H CYS 45 -7.435 0.635 1.175
322 HA CYS 45 HA CYS 45 -5.892 -0.173 -1.184
323 HB2 CYS 45 HB3 CYS 45 -5.900 2.228 -0.690
324 HB3 CYS 45 HB2 CYS 45 -5.325 1.914 0.941
325 H ILE 46 H ILE 46 -4.658 -1.913 -0.963
326 HA ILE 46 HA ILE 46 -3.710 -2.612 1.730
327 HB ILE 46 HB ILE 46 -4.548 -4.436 -0.529
328 HG12 ILE 46 HG13 ILE 46 -6.401 -3.627 0.751
329 HG13 ILE 46 HG12 ILE 46 -6.122 -5.323 1.117
330 HG21 ILE 46 HG21 ILE 46 -3.265 -5.190 2.083
331 HG22 ILE 46 HG22 ILE 46 -2.526 -5.322 0.485
332 HG23 ILE 46 HG23 ILE 46 -3.931 -6.308 0.893
333 HD11 ILE 46 HD11 ILE 46 -5.388 -2.973 2.829
334 HD12 ILE 46 HD12 ILE 46 -4.977 -4.653 3.184
335 HD13 ILE 46 HD13 ILE 46 -6.667 -4.151 3.116
336 H CYS 47 H CYS 47 -1.603 -2.356 1.957
337 HA CYS 47 HA CYS 47 0.136 -2.135 -0.344
338 HB2 CYS 47 HB3 CYS 47 0.903 -2.042 2.582
339 HB3 CYS 47 HB2 CYS 47 1.832 -1.439 1.221
340 H TYR 48 H TYR 48 1.945 -3.468 -0.732
341 HA TYR 48 HA TYR 48 1.765 -6.122 0.530
342 HB2 TYR 48 HB2 TYR 48 2.579 -5.287 -2.245
343 HB3 TYR 48 HB3 TYR 48 2.961 -6.876 -1.597
344 HD1 TYR 48 HD1 TYR 48 -0.135 -4.798 -1.366
345 HD2 TYR 48 HD2 TYR 48 1.646 -8.408 -2.685
346 HE1 TYR 48 HE1 TYR 48 -2.318 -5.579 -2.121
347 HE2 TYR 48 HE2 TYR 48 -0.528 -9.232 -3.423
348 HH TYR 48 HH TYR 48 -2.911 -8.834 -2.940
349 H PHE 49 H PHE 49 3.394 -6.747 1.728
350 HA PHE 49 HA PHE 49 6.028 -5.500 1.301
351 HB2 PHE 49 HB2 PHE 49 4.773 -6.430 3.895
352 HB3 PHE 49 HB3 PHE 49 6.435 -5.874 3.731
353 HD1 PHE 49 HD1 PHE 49 2.913 -4.864 3.719
354 HD2 PHE 49 HD2 PHE 49 6.948 -3.540 3.458
355 HE1 PHE 49 HE1 PHE 49 2.171 -2.552 4.070
356 HE2 PHE 49 HE2 PHE 49 6.211 -1.220 3.811
357 HZ PHE 49 HZ PHE 49 3.817 -0.719 4.113
358 HA PRO 50 HA PRO 50 7.543 -9.531 0.315
359 HB2 PRO 50 HB3 PRO 50 9.983 -8.675 1.777
360 HB3 PRO 50 HB2 PRO 50 9.812 -9.278 0.125
361 HG2 PRO 50 HG3 PRO 50 10.260 -6.695 0.595
362 HG3 PRO 50 HG2 PRO 50 9.171 -7.214 -0.705
363 HD2 PRO 50 HD3 PRO 50 8.512 -6.114 1.994
364 HD3 PRO 50 HD2 PRO 50 7.712 -5.839 0.434
365 H CYS 51 H CYS 51 7.021 -11.324 1.358
366 HA CYS 51 HA CYS 51 6.770 -11.482 4.175
367 HB2 CYS 51 HB3 CYS 51 6.975 -13.776 2.218
368 HB3 CYS 51 HB2 CYS 51 6.278 -13.830 3.833
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