Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
607668 | 2n6o RC | 25775 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 H GLU 1 0.403 -1.445 -1.451
2 HA GLU 1 HA GLU 1 2.256 0.638 -1.684
3 HB2 GLU 1 HB2 GLU 1 1.388 -0.890 0.776
4 HB3 GLU 1 HB3 GLU 1 2.283 0.622 0.802
5 HG2 GLU 1 HG2 GLU 1 0.476 1.848 -0.008
6 HG3 GLU 1 HG3 GLU 1 -0.353 0.409 -0.598
7 H CYS 2 H CYS 2 3.867 -0.711 -2.935
8 HA CYS 2 HA CYS 2 5.878 -1.746 -1.057
9 HB2 CYS 2 HB2 CYS 2 5.395 -2.940 -3.787
10 HB3 CYS 2 HB3 CYS 2 6.437 -3.560 -2.510
11 H ARG 3 H ARG 3 7.969 -1.171 -1.465
12 HA ARG 3 HA ARG 3 8.511 0.361 -3.913
13 HB2 ARG 3 HB2 ARG 3 9.527 1.189 -1.195
14 HB3 ARG 3 HB3 ARG 3 9.647 2.082 -2.705
15 HG2 ARG 3 HG2 ARG 3 6.912 1.636 -2.295
16 HG3 ARG 3 HG3 ARG 3 7.572 2.117 -0.731
17 HD2 ARG 3 HD2 ARG 3 8.598 4.084 -1.785
18 HD3 ARG 3 HD3 ARG 3 7.905 3.605 -3.334
19 HE ARG 3 HE ARG 3 5.972 3.929 -1.223
20 HH11 ARG 3 HH11 ARG 3 7.742 5.499 -3.777
21 HH12 ARG 3 HH12 ARG 3 6.593 6.782 -3.962
22 HH21 ARG 3 HH21 ARG 3 4.452 5.613 -1.457
23 HH22 ARG 3 HH22 ARG 3 4.722 6.846 -2.642
24 H TYR 4 H TYR 4 10.975 0.796 -4.063
25 HA TYR 4 HA TYR 4 12.275 -1.787 -3.797
26 HB2 TYR 4 HB2 TYR 4 14.155 -0.393 -5.013
27 HB3 TYR 4 HB3 TYR 4 12.739 -0.955 -5.895
28 HD1 TYR 4 HD2 TYR 4 14.305 1.986 -4.303
29 HD2 TYR 4 HD1 TYR 4 11.172 0.585 -6.818
30 HE1 TYR 4 HE2 TYR 4 13.806 4.303 -4.962
31 HE2 TYR 4 HE1 TYR 4 10.665 2.897 -7.484
32 HH TYR 4 HH TYR 4 12.741 5.529 -6.718
33 H LEU 5 H LEU 5 14.860 -1.344 -3.464
34 HA LEU 5 HA LEU 5 15.237 -1.058 -0.745
35 HB2 LEU 5 HB2 LEU 5 16.810 -2.043 -2.468
36 HB3 LEU 5 HB3 LEU 5 17.334 -0.393 -2.796
37 HG LEU 5 HG LEU 5 17.493 -1.548 -0.032
38 HD11 LEU 5 HD11 LEU 5 18.678 -3.134 -1.374
39 HD12 LEU 5 HD12 LEU 5 19.858 -2.110 -0.559
40 HD13 LEU 5 HD13 LEU 5 19.493 -1.848 -2.264
41 HD21 LEU 5 HD21 LEU 5 19.406 0.088 0.053
42 HD22 LEU 5 HD22 LEU 5 17.800 0.802 -0.101
43 HD23 LEU 5 HD23 LEU 5 18.855 0.692 -1.510
44 H PHE 6 H PHE 6 15.803 1.366 -3.286
45 HA PHE 6 HA PHE 6 16.466 3.414 -1.382
46 HB2 PHE 6 HB2 PHE 6 15.895 3.557 -4.349
47 HB3 PHE 6 HB3 PHE 6 16.468 4.907 -3.376
48 HD1 PHE 6 HD2 PHE 6 18.611 4.159 -1.857
49 HD2 PHE 6 HD1 PHE 6 17.487 2.542 -5.630
50 HE1 PHE 6 HE2 PHE 6 20.935 3.450 -2.242
51 HE2 PHE 6 HE1 PHE 6 19.809 1.828 -6.020
52 HZ PHE 6 HZ PHE 6 21.537 2.283 -4.325
53 H GLY 7 H GLY 7 13.605 2.011 -2.242
54 HA2 GLY 7 HA2 GLY 7 11.819 4.118 -2.627
55 HA3 GLY 7 HA3 GLY 7 11.409 2.576 -1.890
56 H GLY 8 H GLY 8 12.147 2.371 0.463
57 HA2 GLY 8 HA2 GLY 8 12.638 3.542 2.526
58 HA3 GLY 8 HA3 GLY 8 11.870 4.965 1.840
59 H CYS 9 H CYS 9 11.460 2.923 4.216
60 HA CYS 9 HA CYS 9 8.598 3.277 4.276
61 HB2 CYS 9 HB2 CYS 9 8.274 0.780 4.799
62 HB3 CYS 9 HB3 CYS 9 8.487 1.239 3.112
63 H SER 10 H SER 10 7.771 1.977 6.360
64 HA SER 10 HA SER 10 9.664 2.669 8.509
65 HB2 SER 10 HB2 SER 10 6.639 2.700 8.478
66 HB3 SER 10 HB3 SER 10 7.608 2.933 9.933
67 HG SER 10 HG SER 10 8.288 4.847 9.198
68 H SER 11 H SER 11 7.708 0.187 7.128
69 HA SER 11 HA SER 11 8.608 -1.658 9.236
70 HB2 SER 11 HB2 SER 11 5.847 -1.301 8.120
71 HB3 SER 11 HB3 SER 11 6.361 -2.890 8.685
72 HG SER 11 HG SER 11 5.577 -1.999 10.482
73 H THR 12 H THR 12 8.650 -3.932 8.538
74 HA THR 12 HA THR 12 9.943 -4.187 6.014
75 HB THR 12 HB THR 12 10.023 -6.612 6.528
76 HG1 THR 12 HG1 THR 12 8.459 -7.294 7.780
77 HG21 THR 12 HG21 THR 12 11.062 -4.472 8.219
78 HG22 THR 12 HG22 THR 12 11.885 -5.874 7.535
79 HG23 THR 12 HG23 THR 12 10.983 -6.029 9.042
80 H SER 13 H SER 13 6.687 -4.589 7.110
81 HA SER 13 HA SER 13 5.697 -6.364 5.192
82 HB2 SER 13 HB2 SER 13 4.335 -5.788 7.087
83 HB3 SER 13 HB3 SER 13 4.349 -4.080 6.646
84 HG SER 13 HG SER 13 2.424 -4.931 5.944
85 H ASP 14 H ASP 14 6.708 -3.092 4.910
86 HA ASP 14 HA ASP 14 5.194 -2.411 2.592
87 HB2 ASP 14 HB2 ASP 14 6.528 -0.911 4.326
88 HB3 ASP 14 HB3 ASP 14 7.825 -1.116 3.152
89 H CYS 15 H CYS 15 8.422 -3.732 3.143
90 HA CYS 15 HA CYS 15 9.268 -3.625 0.441
91 HB2 CYS 15 HB2 CYS 15 10.198 -5.415 2.697
92 HB3 CYS 15 HB3 CYS 15 11.032 -5.204 1.161
93 H CYS 16 H CYS 16 8.441 -4.722 -1.199
94 HA CYS 16 HA CYS 16 7.405 -7.436 -0.699
95 HB2 CYS 16 HB2 CYS 16 6.425 -5.533 -2.832
96 HB3 CYS 16 HB3 CYS 16 5.728 -7.088 -2.390
97 H LYS 17 H LYS 17 9.744 -5.621 -2.234
98 HA LYS 17 HA LYS 17 10.040 -7.441 -4.500
99 HB2 LYS 17 HB2 LYS 17 11.267 -4.808 -3.748
100 HB3 LYS 17 HB3 LYS 17 12.047 -5.835 -4.944
101 HG2 LYS 17 HG2 LYS 17 9.155 -5.186 -5.250
102 HG3 LYS 17 HG3 LYS 17 10.368 -3.975 -5.673
103 HD2 LYS 17 HD2 LYS 17 11.418 -5.551 -7.211
104 HD3 LYS 17 HD3 LYS 17 10.237 -6.786 -6.768
105 HE2 LYS 17 HE2 LYS 17 8.445 -5.239 -7.576
106 HE3 LYS 17 HE3 LYS 17 9.714 -4.172 -8.175
107 HZ1 LYS 17 HZ1 LYS 17 9.785 -6.979 -8.994
108 HZ2 LYS 17 HZ2 LYS 17 10.253 -5.595 -9.845
109 HZ3 LYS 17 HZ3 LYS 17 8.614 -5.984 -9.700
110 H HIS 18 H HIS 18 10.433 -8.551 -1.928
111 HA HIS 18 HA HIS 18 11.863 -9.940 -0.832
112 HB2 HIS 18 HB2 HIS 18 12.401 -10.467 -3.339
113 HB3 HIS 18 HB3 HIS 18 13.907 -9.618 -3.001
114 HD1 HIS 18 HD1 HIS 18 15.718 -10.945 -1.915
115 HD2 HIS 18 HD2 HIS 18 12.013 -12.804 -1.630
116 HE1 HIS 18 HE1 HIS 18 16.178 -13.213 -0.929
117 H LEU 19 H LEU 19 11.927 -7.203 -0.198
118 HA LEU 19 HA LEU 19 14.762 -6.836 0.519
119 HB2 LEU 19 HB2 LEU 19 12.664 -4.706 0.130
120 HB3 LEU 19 HB3 LEU 19 14.348 -4.435 0.573
121 HG LEU 19 HG LEU 19 13.914 -5.894 -1.952
122 HD11 LEU 19 HD11 LEU 19 12.132 -4.015 -1.751
123 HD12 LEU 19 HD12 LEU 19 13.097 -4.149 -3.221
124 HD13 LEU 19 HD13 LEU 19 13.503 -2.936 -2.007
125 HD21 LEU 19 HD21 LEU 19 16.108 -5.089 -0.937
126 HD22 LEU 19 HD22 LEU 19 15.598 -3.467 -1.407
127 HD23 LEU 19 HD23 LEU 19 15.822 -4.712 -2.637
128 H SER 20 H SER 20 15.089 -5.587 2.554
129 HA SER 20 HA SER 20 12.980 -6.205 4.519
130 HB2 SER 20 HB2 SER 20 14.619 -6.841 6.121
131 HB3 SER 20 HB3 SER 20 15.071 -7.657 4.625
132 HG SER 20 HG SER 20 16.752 -6.318 4.378
133 H CYS 21 H CYS 21 12.141 -4.438 5.382
134 HA CYS 21 HA CYS 21 13.390 -1.876 5.114
135 HB2 CYS 21 HB2 CYS 21 10.832 -2.578 5.237
136 HB3 CYS 21 HB3 CYS 21 11.081 -2.292 6.957
137 H ARG 22 H ARG 22 15.148 -1.468 6.309
138 HA ARG 22 HA ARG 22 15.516 -2.534 8.943
139 HB2 ARG 22 HB2 ARG 22 17.063 -0.684 7.165
140 HB3 ARG 22 HB3 ARG 22 17.488 -0.813 8.867
141 HG2 ARG 22 HG2 ARG 22 17.188 -3.334 7.340
142 HG3 ARG 22 HG3 ARG 22 18.600 -2.331 7.002
143 HD2 ARG 22 HD2 ARG 22 19.447 -3.588 8.701
144 HD3 ARG 22 HD3 ARG 22 18.734 -2.282 9.646
145 HE ARG 22 HE ARG 22 16.768 -4.201 9.369
146 HH11 ARG 22 HH11 ARG 22 19.957 -3.992 10.748
147 HH12 ARG 22 HH12 ARG 22 19.647 -5.176 11.974
148 HH21 ARG 22 HH21 ARG 22 16.347 -5.762 10.979
149 HH22 ARG 22 HH22 ARG 22 17.593 -6.183 12.104
150 H SER 23 H SER 23 15.133 -1.610 10.873
151 HA SER 23 HA SER 23 13.483 0.733 10.970
152 HB2 SER 23 HB2 SER 23 12.991 -0.997 12.546
153 HB3 SER 23 HB3 SER 23 14.658 -1.040 13.117
154 HG SER 23 HG SER 23 13.083 1.294 13.325
155 H ASP 24 H ASP 24 16.759 0.320 10.729
156 HA ASP 24 HA ASP 24 17.634 2.395 12.508
157 HB2 ASP 24 HB2 ASP 24 19.020 0.952 10.242
158 HB3 ASP 24 HB3 ASP 24 19.808 2.144 11.271
159 H TRP 25 H TRP 25 17.594 2.137 8.948
160 HA TRP 25 HA TRP 25 17.616 5.067 8.802
161 HB2 TRP 25 HB2 TRP 25 18.561 2.884 7.035
162 HB3 TRP 25 HB3 TRP 25 17.889 4.298 6.228
163 HD1 TRP 25 HD1 TRP 25 20.370 3.863 9.199
164 HE1 TRP 25 HE1 TRP 25 22.367 5.433 8.785
165 HE3 TRP 25 HE3 TRP 25 18.894 5.897 4.747
166 HZ2 TRP 25 HZ2 TRP 25 23.205 7.289 6.831
167 HZ3 TRP 25 HZ3 TRP 25 20.351 7.563 3.672
168 HH2 TRP 25 HH2 TRP 25 22.461 8.244 4.694
169 H LYS 26 H LYS 26 15.484 2.497 8.671
170 HA LYS 26 HA LYS 26 13.286 2.313 8.116
171 HB2 LYS 26 HB2 LYS 26 13.315 5.277 7.560
172 HB3 LYS 26 HB3 LYS 26 11.942 4.282 8.027
173 HG2 LYS 26 HG2 LYS 26 13.123 3.876 10.213
174 HG3 LYS 26 HG3 LYS 26 14.273 5.124 9.727
175 HD2 LYS 26 HD2 LYS 26 11.348 5.715 9.635
176 HD3 LYS 26 HD3 LYS 26 12.184 5.731 11.190
177 HE2 LYS 26 HE2 LYS 26 12.340 7.938 10.480
178 HE3 LYS 26 HE3 LYS 26 13.893 7.253 10.004
179 HZ1 LYS 26 HZ1 LYS 26 11.683 7.209 8.076
180 HZ2 LYS 26 HZ2 LYS 26 13.349 7.312 7.801
181 HZ3 LYS 26 HZ3 LYS 26 12.496 8.670 8.340
182 H TYR 27 H TYR 27 14.893 1.513 6.162
183 HA TYR 27 HA TYR 27 13.381 2.174 3.778
184 HB2 TYR 27 HB2 TYR 27 15.166 2.903 2.442
185 HB3 TYR 27 HB3 TYR 27 15.403 3.759 3.961
186 HD1 TYR 27 HD2 TYR 27 16.801 2.079 5.707
187 HD2 TYR 27 HD1 TYR 27 17.149 2.262 1.470
188 HE1 TYR 27 HE2 TYR 27 19.084 1.179 5.862
189 HE2 TYR 27 HE1 TYR 27 19.434 1.362 1.613
190 HH TYR 27 HH TYR 27 21.308 1.422 3.701
191 H CYS 28 H CYS 28 13.407 0.559 2.226
192 HA CYS 28 HA CYS 28 13.746 -2.058 3.065
193 HB2 CYS 28 HB2 CYS 28 13.524 -0.786 0.357
194 HB3 CYS 28 HB3 CYS 28 13.831 -2.515 0.493
195 H ALA 29 H ALA 29 15.250 -3.702 2.383
196 HA ALA 29 HA ALA 29 17.880 -2.741 1.523
197 HB1 ALA 29 HB1 ALA 29 17.884 -2.773 3.991
198 HB2 ALA 29 HB2 ALA 29 17.497 -4.493 3.947
199 HB3 ALA 29 HB3 ALA 29 19.029 -3.918 3.291
200 H TRP 30 H TRP 30 19.068 -4.206 0.353
201 HA TRP 30 HA TRP 30 17.620 -6.388 -0.804
202 HB2 TRP 30 HB2 TRP 30 20.201 -5.028 -1.271
203 HB3 TRP 30 HB3 TRP 30 20.152 -6.730 -1.723
204 HD1 TRP 30 HD1 TRP 30 19.901 -3.681 -3.424
205 HE1 TRP 30 HE1 TRP 30 18.296 -3.750 -5.434
206 HE3 TRP 30 HE3 TRP 30 17.301 -7.920 -2.240
207 HZ2 TRP 30 HZ2 TRP 30 16.203 -5.385 -6.391
208 HZ3 TRP 30 HZ3 TRP 30 15.512 -8.668 -3.755
209 HH2 TRP 30 HH2 TRP 30 14.976 -7.426 -5.787
210 H ASP 31 H ASP 31 18.654 -8.580 -1.020
211 HA ASP 31 HA ASP 31 19.251 -10.545 -0.040
212 HB2 ASP 31 HB2 ASP 31 21.194 -8.980 1.647
213 HB3 ASP 31 HB3 ASP 31 21.353 -10.623 1.033
214 H GLY 32 H GLY 32 17.118 -8.973 1.173
215 HA2 GLY 32 HA2 GLY 32 15.768 -9.032 3.028
216 HA3 GLY 32 HA3 GLY 32 16.593 -10.531 3.430
217 H THR 33 H THR 33 16.448 -9.993 5.653
218 HA THR 33 HA THR 33 17.497 -7.613 6.756
219 HB THR 33 HB THR 33 17.449 -10.198 8.282
220 HG1 THR 33 HG1 THR 33 15.145 -8.590 7.859
221 HG21 THR 33 HG21 THR 33 16.386 -8.435 9.932
222 HG22 THR 33 HG22 THR 33 17.214 -7.287 8.881
223 HG23 THR 33 HG23 THR 33 18.133 -8.539 9.716
224 H PHE 34 H PHE 34 19.396 -7.444 8.156
225 HA PHE 34 HA PHE 34 21.630 -9.086 7.159
226 HB2 PHE 34 HB2 PHE 34 21.394 -6.157 7.689
227 HB3 PHE 34 HB3 PHE 34 22.952 -6.932 7.957
228 HD1 PHE 34 HD2 PHE 34 23.753 -8.478 5.971
229 HD2 PHE 34 HD1 PHE 34 20.945 -5.300 5.610
230 HE1 PHE 34 HE2 PHE 34 24.245 -8.320 3.565
231 HE2 PHE 34 HE1 PHE 34 21.432 -5.138 3.204
232 HZ PHE 34 HZ PHE 34 23.083 -6.650 2.178
233 H SER 35 H SER 35 22.726 -10.232 8.611
234 HA SER 35 HA SER 35 22.038 -9.981 11.417
235 HB2 SER 35 HB2 SER 35 23.741 -11.985 11.508
236 HB3 SER 35 HB3 SER 35 22.125 -12.225 10.844
237 HG SER 35 HG SER 35 23.632 -13.090 9.429
Start of MODEL 2
1 H1 GLU 1 H GLU 1 1.077 -1.801 -1.265
2 HA GLU 1 HA GLU 1 2.243 0.810 -1.974
3 HB2 GLU 1 HB2 GLU 1 1.453 -0.295 0.723
4 HB3 GLU 1 HB3 GLU 1 2.389 1.178 0.510
5 HG2 GLU 1 HG2 GLU 1 -0.262 0.856 -0.831
6 HG3 GLU 1 HG3 GLU 1 -0.159 1.339 0.861
7 H CYS 2 H CYS 2 3.631 -1.230 -2.942
8 HA CYS 2 HA CYS 2 5.755 -1.824 -0.999
9 HB2 CYS 2 HB2 CYS 2 5.373 -3.091 -3.713
10 HB3 CYS 2 HB3 CYS 2 6.390 -3.661 -2.394
11 H ARG 3 H ARG 3 7.906 -1.379 -1.455
12 HA ARG 3 HA ARG 3 8.470 0.180 -3.875
13 HB2 ARG 3 HB2 ARG 3 9.551 1.024 -1.197
14 HB3 ARG 3 HB3 ARG 3 9.523 1.934 -2.702
15 HG2 ARG 3 HG2 ARG 3 6.870 1.522 -2.270
16 HG3 ARG 3 HG3 ARG 3 7.485 1.667 -0.622
17 HD2 ARG 3 HD2 ARG 3 8.738 3.745 -1.563
18 HD3 ARG 3 HD3 ARG 3 7.535 3.661 -2.849
19 HE ARG 3 HE ARG 3 7.117 4.516 -0.143
20 HH11 ARG 3 HH11 ARG 3 5.607 3.142 -2.963
21 HH12 ARG 3 HH12 ARG 3 4.018 3.690 -2.539
22 HH21 ARG 3 HH21 ARG 3 5.031 5.243 0.425
23 HH22 ARG 3 HH22 ARG 3 3.692 4.886 -0.613
24 H TYR 4 H TYR 4 10.942 0.602 -3.990
25 HA TYR 4 HA TYR 4 12.226 -1.991 -3.643
26 HB2 TYR 4 HB2 TYR 4 14.087 -0.666 -4.968
27 HB3 TYR 4 HB3 TYR 4 12.662 -1.289 -5.792
28 HD1 TYR 4 HD2 TYR 4 14.264 1.747 -4.449
29 HD2 TYR 4 HD1 TYR 4 11.042 0.188 -6.749
30 HE1 TYR 4 HE2 TYR 4 13.741 4.015 -5.242
31 HE2 TYR 4 HE1 TYR 4 10.511 2.452 -7.550
32 HH TYR 4 HH TYR 4 12.196 5.285 -6.302
33 H LEU 5 H LEU 5 14.818 -1.528 -3.384
34 HA LEU 5 HA LEU 5 15.254 -1.106 -0.697
35 HB2 LEU 5 HB2 LEU 5 16.790 -2.083 -2.533
36 HB3 LEU 5 HB3 LEU 5 17.352 -0.423 -2.723
37 HG LEU 5 HG LEU 5 17.454 -1.897 -0.099
38 HD11 LEU 5 HD11 LEU 5 18.908 -3.222 -1.244
39 HD12 LEU 5 HD12 LEU 5 19.998 -1.902 -0.822
40 HD13 LEU 5 HD13 LEU 5 19.286 -1.976 -2.433
41 HD21 LEU 5 HD21 LEU 5 18.559 0.679 -1.157
42 HD22 LEU 5 HD22 LEU 5 19.328 -0.153 0.195
43 HD23 LEU 5 HD23 LEU 5 17.651 0.381 0.326
44 H PHE 6 H PHE 6 15.721 1.215 -3.351
45 HA PHE 6 HA PHE 6 16.401 3.353 -1.558
46 HB2 PHE 6 HB2 PHE 6 15.702 3.412 -4.502
47 HB3 PHE 6 HB3 PHE 6 16.374 4.758 -3.587
48 HD1 PHE 6 HD2 PHE 6 18.505 3.701 -2.055
49 HD2 PHE 6 HD1 PHE 6 17.253 2.583 -5.967
50 HE1 PHE 6 HE2 PHE 6 20.779 2.904 -2.551
51 HE2 PHE 6 HE1 PHE 6 19.525 1.784 -6.469
52 HZ PHE 6 HZ PHE 6 21.292 1.943 -4.760
53 H GLY 7 H GLY 7 13.517 1.907 -2.471
54 HA2 GLY 7 HA2 GLY 7 11.705 3.963 -2.815
55 HA3 GLY 7 HA3 GLY 7 11.328 2.441 -2.022
56 H GLY 8 H GLY 8 12.108 2.320 0.322
57 HA2 GLY 8 HA2 GLY 8 12.608 3.540 2.346
58 HA3 GLY 8 HA3 GLY 8 11.850 4.952 1.624
59 H CYS 9 H CYS 9 11.448 2.824 3.996
60 HA CYS 9 HA CYS 9 8.582 3.260 4.088
61 HB2 CYS 9 HB2 CYS 9 8.237 0.787 4.668
62 HB3 CYS 9 HB3 CYS 9 8.479 1.188 2.971
63 H SER 10 H SER 10 7.760 2.021 6.210
64 HA SER 10 HA SER 10 9.667 2.760 8.331
65 HB2 SER 10 HB2 SER 10 7.583 3.036 9.750
66 HB3 SER 10 HB3 SER 10 7.771 4.208 8.446
67 HG SER 10 HG SER 10 5.642 3.044 8.776
68 H SER 11 H SER 11 7.697 0.254 7.022
69 HA SER 11 HA SER 11 8.592 -1.539 9.173
70 HB2 SER 11 HB2 SER 11 6.081 -0.830 9.224
71 HB3 SER 11 HB3 SER 11 5.919 -1.942 7.864
72 HG SER 11 HG SER 11 5.570 -2.853 10.021
73 H THR 12 H THR 12 8.557 -3.845 8.530
74 HA THR 12 HA THR 12 9.858 -4.189 6.023
75 HB THR 12 HB THR 12 9.703 -6.658 6.599
76 HG1 THR 12 HG1 THR 12 8.537 -7.228 8.274
77 HG21 THR 12 HG21 THR 12 11.203 -6.365 8.662
78 HG22 THR 12 HG22 THR 12 10.968 -4.634 8.423
79 HG23 THR 12 HG23 THR 12 11.722 -5.604 7.158
80 H SER 13 H SER 13 6.579 -4.436 7.081
81 HA SER 13 HA SER 13 5.532 -6.225 5.214
82 HB2 SER 13 HB2 SER 13 4.310 -5.279 7.190
83 HB3 SER 13 HB3 SER 13 4.132 -3.770 6.296
84 HG SER 13 HG SER 13 3.071 -6.315 5.649
85 H ASP 14 H ASP 14 6.683 -3.003 4.829
86 HA ASP 14 HA ASP 14 5.257 -2.375 2.438
87 HB2 ASP 14 HB2 ASP 14 7.553 -1.189 3.932
88 HB3 ASP 14 HB3 ASP 14 7.314 -0.708 2.255
89 H CYS 15 H CYS 15 8.428 -3.755 3.149
90 HA CYS 15 HA CYS 15 9.370 -3.780 0.479
91 HB2 CYS 15 HB2 CYS 15 10.154 -5.486 2.852
92 HB3 CYS 15 HB3 CYS 15 11.037 -5.421 1.330
93 H CYS 16 H CYS 16 8.433 -4.847 -1.127
94 HA CYS 16 HA CYS 16 7.377 -7.546 -0.589
95 HB2 CYS 16 HB2 CYS 16 6.416 -5.630 -2.722
96 HB3 CYS 16 HB3 CYS 16 5.714 -7.191 -2.311
97 H LYS 17 H LYS 17 9.689 -5.742 -2.222
98 HA LYS 17 HA LYS 17 9.972 -7.647 -4.418
99 HB2 LYS 17 HB2 LYS 17 10.207 -5.053 -4.583
100 HB3 LYS 17 HB3 LYS 17 11.818 -5.332 -3.935
101 HG2 LYS 17 HG2 LYS 17 11.855 -7.123 -5.908
102 HG3 LYS 17 HG3 LYS 17 10.701 -5.977 -6.594
103 HD2 LYS 17 HD2 LYS 17 13.155 -4.832 -5.403
104 HD3 LYS 17 HD3 LYS 17 13.359 -5.752 -6.896
105 HE2 LYS 17 HE2 LYS 17 11.492 -4.344 -7.861
106 HE3 LYS 17 HE3 LYS 17 11.641 -3.324 -6.430
107 HZ1 LYS 17 HZ1 LYS 17 12.964 -2.323 -8.062
108 HZ2 LYS 17 HZ2 LYS 17 13.645 -3.790 -8.556
109 HZ3 LYS 17 HZ3 LYS 17 14.066 -3.124 -7.059
110 H HIS 18 H HIS 18 10.429 -8.654 -1.817
111 HA HIS 18 HA HIS 18 11.901 -9.980 -0.697
112 HB2 HIS 18 HB2 HIS 18 13.750 -9.656 -3.063
113 HB3 HIS 18 HB3 HIS 18 13.714 -10.979 -1.901
114 HD1 HIS 18 HD1 HIS 18 13.094 -10.708 -5.210
115 HD2 HIS 18 HD2 HIS 18 10.621 -11.874 -2.082
116 HE1 HIS 18 HE1 HIS 18 11.278 -12.090 -6.268
117 H LEU 19 H LEU 19 11.911 -7.443 0.147
118 HA LEU 19 HA LEU 19 14.755 -6.933 0.703
119 HB2 LEU 19 HB2 LEU 19 12.627 -4.840 0.278
120 HB3 LEU 19 HB3 LEU 19 14.306 -4.534 0.717
121 HG LEU 19 HG LEU 19 13.890 -6.049 -1.781
122 HD11 LEU 19 HD11 LEU 19 13.311 -3.097 -1.711
123 HD12 LEU 19 HD12 LEU 19 12.059 -4.336 -1.782
124 HD13 LEU 19 HD13 LEU 19 13.226 -4.186 -3.095
125 HD21 LEU 19 HD21 LEU 19 16.072 -5.182 -0.761
126 HD22 LEU 19 HD22 LEU 19 15.546 -3.591 -1.310
127 HD23 LEU 19 HD23 LEU 19 15.796 -4.890 -2.478
128 H SER 20 H SER 20 15.068 -5.608 2.704
129 HA SER 20 HA SER 20 12.993 -6.234 4.702
130 HB2 SER 20 HB2 SER 20 15.976 -6.555 4.826
131 HB3 SER 20 HB3 SER 20 15.053 -6.291 6.306
132 HG SER 20 HG SER 20 13.816 -8.138 5.767
133 H CYS 21 H CYS 21 12.115 -4.473 5.536
134 HA CYS 21 HA CYS 21 13.349 -1.891 5.226
135 HB2 CYS 21 HB2 CYS 21 10.790 -2.610 5.228
136 HB3 CYS 21 HB3 CYS 21 10.946 -2.279 6.950
137 H ARG 22 H ARG 22 14.913 -1.236 6.539
138 HA ARG 22 HA ARG 22 15.133 -2.287 9.233
139 HB2 ARG 22 HB2 ARG 22 16.873 -0.426 7.613
140 HB3 ARG 22 HB3 ARG 22 17.223 -0.869 9.278
141 HG2 ARG 22 HG2 ARG 22 17.138 -3.289 8.461
142 HG3 ARG 22 HG3 ARG 22 17.234 -2.604 6.837
143 HD2 ARG 22 HD2 ARG 22 19.452 -3.153 7.540
144 HD3 ARG 22 HD3 ARG 22 19.297 -1.397 7.547
145 HE ARG 22 HE ARG 22 19.694 -1.424 9.792
146 HH11 ARG 22 HH11 ARG 22 18.683 -4.604 8.800
147 HH12 ARG 22 HH12 ARG 22 18.968 -5.321 10.351
148 HH21 ARG 22 HH21 ARG 22 20.074 -2.357 11.839
149 HH22 ARG 22 HH22 ARG 22 19.758 -4.042 12.079
150 H SER 23 H SER 23 14.726 -1.208 11.087
151 HA SER 23 HA SER 23 13.128 1.168 10.942
152 HB2 SER 23 HB2 SER 23 12.545 0.720 13.110
153 HB3 SER 23 HB3 SER 23 13.148 -0.879 12.674
154 HG SER 23 HG SER 23 14.046 0.761 14.563
155 H ASP 24 H ASP 24 16.398 0.676 10.862
156 HA ASP 24 HA ASP 24 17.256 2.849 12.527
157 HB2 ASP 24 HB2 ASP 24 18.725 1.319 10.368
158 HB3 ASP 24 HB3 ASP 24 19.468 2.463 11.482
159 H TRP 25 H TRP 25 17.325 2.360 8.992
160 HA TRP 25 HA TRP 25 17.406 5.274 8.659
161 HB2 TRP 25 HB2 TRP 25 18.304 2.962 7.004
162 HB3 TRP 25 HB3 TRP 25 17.810 4.432 6.169
163 HD1 TRP 25 HD1 TRP 25 20.016 3.871 9.327
164 HE1 TRP 25 HE1 TRP 25 22.190 5.212 9.011
165 HE3 TRP 25 HE3 TRP 25 19.116 5.792 4.676
166 HZ2 TRP 25 HZ2 TRP 25 23.367 6.866 7.049
167 HZ3 TRP 25 HZ3 TRP 25 20.816 7.245 3.650
168 HH2 TRP 25 HH2 TRP 25 22.897 7.770 4.814
169 H LYS 26 H LYS 26 15.256 2.702 8.570
170 HA LYS 26 HA LYS 26 13.080 2.507 7.937
171 HB2 LYS 26 HB2 LYS 26 13.138 5.441 7.245
172 HB3 LYS 26 HB3 LYS 26 11.752 4.470 7.727
173 HG2 LYS 26 HG2 LYS 26 12.778 4.205 9.967
174 HG3 LYS 26 HG3 LYS 26 14.067 5.302 9.464
175 HD2 LYS 26 HD2 LYS 26 11.226 6.166 9.172
176 HD3 LYS 26 HD3 LYS 26 11.974 6.200 10.770
177 HE2 LYS 26 HE2 LYS 26 13.237 7.475 8.357
178 HE3 LYS 26 HE3 LYS 26 12.105 8.334 9.400
179 HZ1 LYS 26 HZ1 LYS 26 14.149 8.883 10.282
180 HZ2 LYS 26 HZ2 LYS 26 14.810 7.348 10.024
181 HZ3 LYS 26 HZ3 LYS 26 13.687 7.588 11.267
182 H TYR 27 H TYR 27 14.712 1.581 6.089
183 HA TYR 27 HA TYR 27 13.323 2.183 3.617
184 HB2 TYR 27 HB2 TYR 27 15.187 2.793 2.327
185 HB3 TYR 27 HB3 TYR 27 15.383 3.713 3.814
186 HD1 TYR 27 HD2 TYR 27 16.651 2.079 5.697
187 HD2 TYR 27 HD1 TYR 27 17.191 2.052 1.477
188 HE1 TYR 27 HE2 TYR 27 18.898 1.124 5.996
189 HE2 TYR 27 HE1 TYR 27 19.438 1.096 1.764
190 HH TYR 27 HH TYR 27 20.521 -0.435 3.944
191 H CYS 28 H CYS 28 13.526 0.544 2.037
192 HA CYS 28 HA CYS 28 13.748 -2.067 3.060
193 HB2 CYS 28 HB2 CYS 28 13.463 -0.897 0.320
194 HB3 CYS 28 HB3 CYS 28 13.828 -2.611 0.487
195 H ALA 29 H ALA 29 15.256 -3.725 2.572
196 HA ALA 29 HA ALA 29 17.884 -2.817 1.622
197 HB1 ALA 29 HB1 ALA 29 19.002 -4.028 3.414
198 HB2 ALA 29 HB2 ALA 29 17.927 -2.792 4.069
199 HB3 ALA 29 HB3 ALA 29 17.441 -4.487 4.094
200 H TRP 30 H TRP 30 19.042 -4.297 0.454
201 HA TRP 30 HA TRP 30 17.586 -6.485 -0.667
202 HB2 TRP 30 HB2 TRP 30 20.189 -5.167 -1.132
203 HB3 TRP 30 HB3 TRP 30 20.121 -6.874 -1.559
204 HD1 TRP 30 HD1 TRP 30 19.925 -3.847 -3.306
205 HE1 TRP 30 HE1 TRP 30 18.337 -3.925 -5.329
206 HE3 TRP 30 HE3 TRP 30 17.260 -8.035 -2.084
207 HZ2 TRP 30 HZ2 TRP 30 16.231 -5.547 -6.281
208 HZ3 TRP 30 HZ3 TRP 30 15.476 -8.782 -3.604
209 HH2 TRP 30 HH2 TRP 30 14.973 -7.562 -5.659
210 H ASP 31 H ASP 31 18.592 -8.694 -0.842
211 HA ASP 31 HA ASP 31 19.106 -10.655 0.197
212 HB2 ASP 31 HB2 ASP 31 21.359 -9.308 0.100
213 HB3 ASP 31 HB3 ASP 31 21.159 -9.228 1.848
214 H GLY 32 H GLY 32 17.072 -8.981 1.427
215 HA2 GLY 32 HA2 GLY 32 15.791 -8.924 3.330
216 HA3 GLY 32 HA3 GLY 32 16.571 -10.441 3.750
217 H THR 33 H THR 33 16.820 -10.075 5.914
218 HA THR 33 HA THR 33 17.931 -7.621 6.919
219 HB THR 33 HB THR 33 17.814 -8.638 9.109
220 HG1 THR 33 HG1 THR 33 17.079 -11.066 7.813
221 HG21 THR 33 HG21 THR 33 15.333 -9.810 8.112
222 HG22 THR 33 HG22 THR 33 15.645 -8.195 7.476
223 HG23 THR 33 HG23 THR 33 15.581 -8.460 9.218
224 H PHE 34 H PHE 34 19.935 -7.373 7.986
225 HA PHE 34 HA PHE 34 22.017 -9.157 6.949
226 HB2 PHE 34 HB2 PHE 34 22.093 -6.330 8.002
227 HB3 PHE 34 HB3 PHE 34 23.552 -7.262 7.681
228 HD1 PHE 34 HD2 PHE 34 23.390 -8.487 5.242
229 HD2 PHE 34 HD1 PHE 34 21.532 -4.830 6.377
230 HE1 PHE 34 HE2 PHE 34 23.312 -7.798 2.881
231 HE2 PHE 34 HE1 PHE 34 21.450 -4.135 4.018
232 HZ PHE 34 HZ PHE 34 22.341 -5.620 2.266
233 H SER 35 H SER 35 23.383 -10.276 8.247
234 HA SER 35 HA SER 35 22.732 -10.302 11.106
235 HB2 SER 35 HB2 SER 35 23.983 -12.487 11.093
236 HB3 SER 35 HB3 SER 35 22.543 -12.467 10.076
237 HG SER 35 HG SER 35 24.272 -13.384 8.952
Start of MODEL 3
1 H1 GLU 1 H GLU 1 1.635 1.328 -0.164
2 HA GLU 1 HA GLU 1 1.688 -0.362 -2.575
3 HB2 GLU 1 HB2 GLU 1 1.281 1.943 -3.137
4 HB3 GLU 1 HB3 GLU 1 2.627 2.475 -2.139
5 HG2 GLU 1 HG2 GLU 1 4.212 1.496 -3.634
6 HG3 GLU 1 HG3 GLU 1 2.929 0.730 -4.569
7 H CYS 2 H CYS 2 3.581 -1.312 -3.234
8 HA CYS 2 HA CYS 2 5.621 -1.594 -1.189
9 HB2 CYS 2 HB2 CYS 2 5.490 -2.936 -3.894
10 HB3 CYS 2 HB3 CYS 2 6.451 -3.432 -2.505
11 H ARG 3 H ARG 3 7.869 -1.305 -1.584
12 HA ARG 3 HA ARG 3 8.561 0.366 -3.892
13 HB2 ARG 3 HB2 ARG 3 9.583 1.039 -1.145
14 HB3 ARG 3 HB3 ARG 3 9.613 2.028 -2.599
15 HG2 ARG 3 HG2 ARG 3 6.946 1.678 -2.266
16 HG3 ARG 3 HG3 ARG 3 7.506 1.682 -0.592
17 HD2 ARG 3 HD2 ARG 3 8.837 3.784 -1.292
18 HD3 ARG 3 HD3 ARG 3 7.737 3.828 -2.668
19 HE ARG 3 HE ARG 3 7.148 4.582 0.011
20 HH11 ARG 3 HH11 ARG 3 5.765 3.161 -2.850
21 HH12 ARG 3 HH12 ARG 3 4.148 3.656 -2.472
22 HH21 ARG 3 HH21 ARG 3 5.024 5.239 0.520
23 HH22 ARG 3 HH22 ARG 3 3.728 4.838 -0.556
24 H TYR 4 H TYR 4 11.049 0.720 -3.894
25 HA TYR 4 HA TYR 4 12.247 -1.927 -3.597
26 HB2 TYR 4 HB2 TYR 4 14.160 -0.627 -4.880
27 HB3 TYR 4 HB3 TYR 4 12.738 -1.223 -5.730
28 HD1 TYR 4 HD2 TYR 4 14.276 1.797 -4.238
29 HD2 TYR 4 HD1 TYR 4 11.248 0.269 -6.806
30 HE1 TYR 4 HE2 TYR 4 13.802 4.078 -5.026
31 HE2 TYR 4 HE1 TYR 4 10.766 2.545 -7.603
32 HH TYR 4 HH TYR 4 11.206 5.060 -6.359
33 H LEU 5 H LEU 5 14.854 -1.517 -3.312
34 HA LEU 5 HA LEU 5 15.272 -1.155 -0.615
35 HB2 LEU 5 HB2 LEU 5 16.812 -2.118 -2.450
36 HB3 LEU 5 HB3 LEU 5 17.393 -0.462 -2.616
37 HG LEU 5 HG LEU 5 17.470 -1.981 -0.016
38 HD11 LEU 5 HD11 LEU 5 20.023 -1.955 -0.736
39 HD12 LEU 5 HD12 LEU 5 19.304 -2.027 -2.344
40 HD13 LEU 5 HD13 LEU 5 18.941 -3.282 -1.160
41 HD21 LEU 5 HD21 LEU 5 18.596 0.612 -1.013
42 HD22 LEU 5 HD22 LEU 5 19.334 -0.246 0.340
43 HD23 LEU 5 HD23 LEU 5 17.658 0.294 0.447
44 H PHE 6 H PHE 6 15.789 1.216 -3.214
45 HA PHE 6 HA PHE 6 16.485 3.306 -1.371
46 HB2 PHE 6 HB2 PHE 6 15.879 3.330 -4.332
47 HB3 PHE 6 HB3 PHE 6 16.366 4.758 -3.424
48 HD1 PHE 6 HD2 PHE 6 18.605 4.636 -2.171
49 HD2 PHE 6 HD1 PHE 6 17.475 1.933 -5.259
50 HE1 PHE 6 HE2 PHE 6 20.969 4.051 -2.520
51 HE2 PHE 6 HE1 PHE 6 19.838 1.344 -5.612
52 HZ PHE 6 HZ PHE 6 21.589 2.404 -4.242
53 H GLY 7 H GLY 7 13.589 1.915 -2.320
54 HA2 GLY 7 HA2 GLY 7 11.802 3.999 -2.633
55 HA3 GLY 7 HA3 GLY 7 11.405 2.467 -1.868
56 H GLY 8 H GLY 8 12.171 2.296 0.476
57 HA2 GLY 8 HA2 GLY 8 12.673 3.466 2.525
58 HA3 GLY 8 HA3 GLY 8 11.956 4.908 1.824
59 H CYS 9 H CYS 9 11.483 2.627 4.090
60 HA CYS 9 HA CYS 9 8.624 3.167 4.185
61 HB2 CYS 9 HB2 CYS 9 8.240 0.683 4.723
62 HB3 CYS 9 HB3 CYS 9 8.480 1.122 3.035
63 H SER 10 H SER 10 7.754 1.903 6.273
64 HA SER 10 HA SER 10 9.633 2.599 8.431
65 HB2 SER 10 HB2 SER 10 6.662 2.839 8.162
66 HB3 SER 10 HB3 SER 10 7.356 2.615 9.768
67 HG SER 10 HG SER 10 7.196 4.849 8.368
68 H SER 11 H SER 11 7.692 0.095 7.060
69 HA SER 11 HA SER 11 8.622 -1.737 9.162
70 HB2 SER 11 HB2 SER 11 6.281 -1.336 9.632
71 HB3 SER 11 HB3 SER 11 5.850 -1.646 7.950
72 HG SER 11 HG SER 11 6.228 -3.399 9.982
73 H THR 12 H THR 12 8.557 -4.039 8.459
74 HA THR 12 HA THR 12 9.856 -4.316 5.940
75 HB THR 12 HB THR 12 9.892 -6.729 6.431
76 HG1 THR 12 HG1 THR 12 8.409 -7.510 7.709
77 HG21 THR 12 HG21 THR 12 11.665 -5.481 7.405
78 HG22 THR 12 HG22 THR 12 11.075 -6.571 8.660
79 HG23 THR 12 HG23 THR 12 10.621 -4.868 8.686
80 H SER 13 H SER 13 6.581 -4.612 7.015
81 HA SER 13 HA SER 13 5.522 -6.344 5.107
82 HB2 SER 13 HB2 SER 13 3.390 -5.476 5.681
83 HB3 SER 13 HB3 SER 13 4.361 -5.328 7.145
84 HG SER 13 HG SER 13 3.184 -3.392 5.654
85 H ASP 14 H ASP 14 6.656 -3.100 4.796
86 HA ASP 14 HA ASP 14 5.236 -2.433 2.415
87 HB2 ASP 14 HB2 ASP 14 7.746 -1.284 3.649
88 HB3 ASP 14 HB3 ASP 14 6.951 -0.607 2.230
89 H CYS 15 H CYS 15 8.387 -3.853 3.108
90 HA CYS 15 HA CYS 15 9.374 -3.792 0.458
91 HB2 CYS 15 HB2 CYS 15 10.076 -5.585 2.790
92 HB3 CYS 15 HB3 CYS 15 10.975 -5.532 1.277
93 H CYS 16 H CYS 16 8.419 -4.757 -1.204
94 HA CYS 16 HA CYS 16 7.238 -7.425 -0.791
95 HB2 CYS 16 HB2 CYS 16 6.552 -5.381 -2.913
96 HB3 CYS 16 HB3 CYS 16 5.777 -6.947 -2.696
97 H LYS 17 H LYS 17 9.736 -5.713 -2.278
98 HA LYS 17 HA LYS 17 10.086 -7.645 -4.438
99 HB2 LYS 17 HB2 LYS 17 11.366 -5.022 -3.740
100 HB3 LYS 17 HB3 LYS 17 12.156 -6.121 -4.862
101 HG2 LYS 17 HG2 LYS 17 10.946 -4.649 -6.211
102 HG3 LYS 17 HG3 LYS 17 9.966 -6.116 -6.159
103 HD2 LYS 17 HD2 LYS 17 8.440 -5.153 -4.628
104 HD3 LYS 17 HD3 LYS 17 9.521 -3.800 -4.288
105 HE2 LYS 17 HE2 LYS 17 7.724 -3.064 -5.724
106 HE3 LYS 17 HE3 LYS 17 9.245 -3.034 -6.616
107 HZ1 LYS 17 HZ1 LYS 17 8.652 -4.912 -7.832
108 HZ2 LYS 17 HZ2 LYS 17 7.221 -4.014 -7.771
109 HZ3 LYS 17 HZ3 LYS 17 7.421 -5.354 -6.759
110 H HIS 18 H HIS 18 10.321 -8.683 -1.833
111 HA HIS 18 HA HIS 18 11.664 -10.022 -0.575
112 HB2 HIS 18 HB2 HIS 18 13.129 -9.952 -3.192
113 HB3 HIS 18 HB3 HIS 18 13.841 -10.776 -1.807
114 HD1 HIS 18 HD1 HIS 18 12.848 -13.020 -1.134
115 HD2 HIS 18 HD2 HIS 18 10.769 -11.157 -4.211
116 HE1 HIS 18 HE1 HIS 18 11.258 -14.756 -2.019
117 H LEU 19 H LEU 19 11.828 -7.374 0.059
118 HA LEU 19 HA LEU 19 14.689 -7.015 0.670
119 HB2 LEU 19 HB2 LEU 19 12.586 -4.888 0.294
120 HB3 LEU 19 HB3 LEU 19 14.264 -4.601 0.749
121 HG LEU 19 HG LEU 19 13.856 -6.073 -1.775
122 HD11 LEU 19 HD11 LEU 19 13.367 -3.112 -1.744
123 HD12 LEU 19 HD12 LEU 19 12.046 -4.278 -1.678
124 HD13 LEU 19 HD13 LEU 19 13.135 -4.258 -3.065
125 HD21 LEU 19 HD21 LEU 19 15.764 -4.883 -2.450
126 HD22 LEU 19 HD22 LEU 19 16.042 -5.264 -0.751
127 HD23 LEU 19 HD23 LEU 19 15.531 -3.642 -1.219
128 H SER 20 H SER 20 15.081 -5.737 2.683
129 HA SER 20 HA SER 20 13.050 -6.374 4.723
130 HB2 SER 20 HB2 SER 20 16.038 -6.669 4.768
131 HB3 SER 20 HB3 SER 20 15.151 -6.430 6.273
132 HG SER 20 HG SER 20 13.987 -8.298 5.849
133 H CYS 21 H CYS 21 12.141 -4.588 5.473
134 HA CYS 21 HA CYS 21 13.379 -2.013 5.209
135 HB2 CYS 21 HB2 CYS 21 10.823 -2.732 5.205
136 HB3 CYS 21 HB3 CYS 21 10.976 -2.420 6.931
137 H ARG 22 H ARG 22 15.046 -1.533 6.495
138 HA ARG 22 HA ARG 22 15.266 -2.558 9.172
139 HB2 ARG 22 HB2 ARG 22 16.933 -0.672 7.519
140 HB3 ARG 22 HB3 ARG 22 17.293 -0.989 9.211
141 HG2 ARG 22 HG2 ARG 22 17.202 -3.494 8.428
142 HG3 ARG 22 HG3 ARG 22 17.538 -2.778 6.850
143 HD2 ARG 22 HD2 ARG 22 19.659 -3.213 7.683
144 HD3 ARG 22 HD3 ARG 22 19.420 -1.512 8.083
145 HE ARG 22 HE ARG 22 18.546 -2.902 10.281
146 HH11 ARG 22 HH11 ARG 22 21.518 -2.675 8.482
147 HH12 ARG 22 HH12 ARG 22 22.525 -3.003 9.853
148 HH21 ARG 22 HH21 ARG 22 19.861 -3.335 12.094
149 HH22 ARG 22 HH22 ARG 22 21.581 -3.380 11.907
150 H SER 23 H SER 23 14.814 -1.560 11.055
151 HA SER 23 HA SER 23 13.173 0.789 10.992
152 HB2 SER 23 HB2 SER 23 13.416 0.480 13.582
153 HB3 SER 23 HB3 SER 23 12.489 -0.695 12.648
154 HG SER 23 HG SER 23 13.825 -1.941 13.801
155 H ASP 24 H ASP 24 16.454 0.357 10.916
156 HA ASP 24 HA ASP 24 17.260 2.488 12.659
157 HB2 ASP 24 HB2 ASP 24 18.635 0.434 11.828
158 HB3 ASP 24 HB3 ASP 24 18.960 1.439 10.418
159 H TRP 25 H TRP 25 17.367 2.118 9.110
160 HA TRP 25 HA TRP 25 17.407 5.041 8.873
161 HB2 TRP 25 HB2 TRP 25 18.364 2.796 7.172
162 HB3 TRP 25 HB3 TRP 25 17.808 4.251 6.349
163 HD1 TRP 25 HD1 TRP 25 20.044 3.768 9.499
164 HE1 TRP 25 HE1 TRP 25 22.163 5.194 9.181
165 HE3 TRP 25 HE3 TRP 25 19.059 5.657 4.852
166 HZ2 TRP 25 HZ2 TRP 25 23.270 6.894 7.219
167 HZ3 TRP 25 HZ3 TRP 25 20.700 7.176 3.825
168 HH2 TRP 25 HH2 TRP 25 22.761 7.782 4.985
169 H LYS 26 H LYS 26 15.281 2.458 8.710
170 HA LYS 26 HA LYS 26 13.108 2.259 8.067
171 HB2 LYS 26 HB2 LYS 26 13.144 5.210 7.452
172 HB3 LYS 26 HB3 LYS 26 11.764 4.217 7.901
173 HG2 LYS 26 HG2 LYS 26 12.957 3.857 10.123
174 HG3 LYS 26 HG3 LYS 26 14.009 5.188 9.636
175 HD2 LYS 26 HD2 LYS 26 11.036 5.510 9.537
176 HD3 LYS 26 HD3 LYS 26 11.893 5.675 11.072
177 HE2 LYS 26 HE2 LYS 26 13.206 7.475 10.234
178 HE3 LYS 26 HE3 LYS 26 12.647 7.197 8.585
179 HZ1 LYS 26 HZ1 LYS 26 10.645 8.175 8.999
180 HZ2 LYS 26 HZ2 LYS 26 11.611 9.072 10.058
181 HZ3 LYS 26 HZ3 LYS 26 10.658 7.806 10.650
182 H TYR 27 H TYR 27 14.732 1.380 6.201
183 HA TYR 27 HA TYR 27 13.352 2.046 3.741
184 HB2 TYR 27 HB2 TYR 27 15.225 2.678 2.470
185 HB3 TYR 27 HB3 TYR 27 15.407 3.572 3.975
186 HD1 TYR 27 HD2 TYR 27 16.675 1.931 5.839
187 HD2 TYR 27 HD1 TYR 27 17.228 1.939 1.621
188 HE1 TYR 27 HE2 TYR 27 18.922 0.977 6.138
189 HE2 TYR 27 HE1 TYR 27 19.477 0.983 1.908
190 HH TYR 27 HH TYR 27 20.519 -0.508 4.538
191 H CYS 28 H CYS 28 13.501 0.431 2.153
192 HA CYS 28 HA CYS 28 13.730 -2.197 3.099
193 HB2 CYS 28 HB2 CYS 28 13.461 -0.954 0.392
194 HB3 CYS 28 HB3 CYS 28 13.839 -2.670 0.506
195 H ALA 29 H ALA 29 15.235 -3.850 2.590
196 HA ALA 29 HA ALA 29 17.877 -2.929 1.691
197 HB1 ALA 29 HB1 ALA 29 19.004 -4.030 3.465
198 HB2 ALA 29 HB2 ALA 29 17.735 -3.049 4.200
199 HB3 ALA 29 HB3 ALA 29 17.515 -4.790 4.028
200 H TRP 30 H TRP 30 19.087 -4.415 0.552
201 HA TRP 30 HA TRP 30 17.608 -6.575 -0.641
202 HB2 TRP 30 HB2 TRP 30 20.166 -5.185 -1.142
203 HB3 TRP 30 HB3 TRP 30 20.128 -6.884 -1.607
204 HD1 TRP 30 HD1 TRP 30 19.817 -3.827 -3.280
205 HE1 TRP 30 HE1 TRP 30 18.176 -3.897 -5.262
206 HE3 TRP 30 HE3 TRP 30 17.277 -8.098 -2.080
207 HZ2 TRP 30 HZ2 TRP 30 16.081 -5.545 -6.193
208 HZ3 TRP 30 HZ3 TRP 30 15.469 -8.853 -3.568
209 HH2 TRP 30 HH2 TRP 30 14.885 -7.601 -5.581
210 H ASP 31 H ASP 31 18.658 -8.756 -0.895
211 HA ASP 31 HA ASP 31 19.278 -10.725 0.062
212 HB2 ASP 31 HB2 ASP 31 21.268 -9.158 1.693
213 HB3 ASP 31 HB3 ASP 31 21.411 -10.802 1.077
214 H GLY 32 H GLY 32 17.243 -9.019 1.396
215 HA2 GLY 32 HA2 GLY 32 15.920 -9.158 3.268
216 HA3 GLY 32 HA3 GLY 32 16.785 -10.636 3.661
217 H THR 33 H THR 33 16.834 -10.179 5.865
218 HA THR 33 HA THR 33 17.839 -7.728 6.912
219 HB THR 33 HB THR 33 17.930 -8.937 9.083
220 HG1 THR 33 HG1 THR 33 17.401 -11.090 9.166
221 HG21 THR 33 HG21 THR 33 15.793 -7.966 7.932
222 HG22 THR 33 HG22 THR 33 15.638 -8.946 9.390
223 HG23 THR 33 HG23 THR 33 15.324 -9.661 7.809
224 H PHE 34 H PHE 34 19.857 -7.149 7.509
225 HA PHE 34 HA PHE 34 22.073 -8.553 6.433
226 HB2 PHE 34 HB2 PHE 34 21.690 -6.092 8.064
227 HB3 PHE 34 HB3 PHE 34 23.293 -6.819 8.054
228 HD1 PHE 34 HD1 PHE 34 20.640 -6.145 5.512
229 HD2 PHE 34 HD2 PHE 34 24.742 -5.819 6.598
230 HE1 PHE 34 HE1 PHE 34 21.118 -5.045 3.363
231 HE2 PHE 34 HE2 PHE 34 25.227 -4.718 4.452
232 HZ PHE 34 HZ PHE 34 23.413 -4.329 2.831
233 H SER 35 H SER 35 23.916 -9.375 7.615
234 HA SER 35 HA SER 35 23.094 -11.068 9.794
235 HB2 SER 35 HB2 SER 35 24.595 -11.950 8.083
236 HB3 SER 35 HB3 SER 35 25.792 -10.713 8.465
237 HG SER 35 HG SER 35 25.570 -13.081 9.551
Start of MODEL 4
1 H1 GLU 1 H GLU 1 0.947 -0.382 0.326
2 HA GLU 1 HA GLU 1 1.844 -0.403 -2.430
3 HB2 GLU 1 HB2 GLU 1 2.382 1.464 -0.119
4 HB3 GLU 1 HB3 GLU 1 3.104 1.663 -1.709
5 HG2 GLU 1 HG2 GLU 1 0.136 1.541 -1.283
6 HG3 GLU 1 HG3 GLU 1 1.052 3.046 -1.217
7 H CYS 2 H CYS 2 3.953 -0.694 -3.124
8 HA CYS 2 HA CYS 2 5.870 -1.698 -1.133
9 HB2 CYS 2 HB2 CYS 2 5.521 -2.921 -3.871
10 HB3 CYS 2 HB3 CYS 2 6.505 -3.524 -2.542
11 H ARG 3 H ARG 3 8.037 -1.282 -1.547
12 HA ARG 3 HA ARG 3 8.667 0.302 -3.934
13 HB2 ARG 3 HB2 ARG 3 9.700 1.101 -1.222
14 HB3 ARG 3 HB3 ARG 3 9.722 2.027 -2.717
15 HG2 ARG 3 HG2 ARG 3 7.055 1.659 -2.360
16 HG3 ARG 3 HG3 ARG 3 7.626 1.761 -0.693
17 HD2 ARG 3 HD2 ARG 3 8.921 3.839 -1.502
18 HD3 ARG 3 HD3 ARG 3 7.833 3.791 -2.889
19 HE ARG 3 HE ARG 3 7.202 4.648 -0.237
20 HH11 ARG 3 HH11 ARG 3 5.892 3.195 -3.117
21 HH12 ARG 3 HH12 ARG 3 4.272 3.723 -2.803
22 HH21 ARG 3 HH21 ARG 3 5.073 5.349 0.187
23 HH22 ARG 3 HH22 ARG 3 3.807 4.949 -0.925
24 H TYR 4 H TYR 4 11.145 0.693 -3.996
25 HA TYR 4 HA TYR 4 12.388 -1.919 -3.671
26 HB2 TYR 4 HB2 TYR 4 14.303 -0.589 -4.910
27 HB3 TYR 4 HB3 TYR 4 12.891 -1.167 -5.788
28 HD1 TYR 4 HD2 TYR 4 14.506 1.806 -4.326
29 HD2 TYR 4 HD1 TYR 4 11.314 0.361 -6.739
30 HE1 TYR 4 HE2 TYR 4 14.039 4.102 -5.072
31 HE2 TYR 4 HE1 TYR 4 10.838 2.653 -7.493
32 HH TYR 4 HH TYR 4 12.326 4.873 -7.687
33 H LEU 5 H LEU 5 14.977 -1.504 -3.328
34 HA LEU 5 HA LEU 5 15.342 -1.153 -0.620
35 HB2 LEU 5 HB2 LEU 5 16.917 -2.147 -2.373
36 HB3 LEU 5 HB3 LEU 5 17.481 -0.496 -2.622
37 HG LEU 5 HG LEU 5 17.553 -1.821 0.077
38 HD11 LEU 5 HD11 LEU 5 20.060 -2.063 -0.563
39 HD12 LEU 5 HD12 LEU 5 19.450 -2.062 -2.217
40 HD13 LEU 5 HD13 LEU 5 18.903 -3.291 -1.077
41 HD21 LEU 5 HD21 LEU 5 17.835 0.482 0.314
42 HD22 LEU 5 HD22 LEU 5 18.780 0.616 -1.170
43 HD23 LEU 5 HD23 LEU 5 19.485 -0.139 0.260
44 H PHE 6 H PHE 6 15.925 1.219 -3.205
45 HA PHE 6 HA PHE 6 16.589 3.304 -1.344
46 HB2 PHE 6 HB2 PHE 6 15.899 3.593 -4.272
47 HB3 PHE 6 HB3 PHE 6 16.805 4.725 -3.274
48 HD1 PHE 6 HD2 PHE 6 19.048 3.967 -2.351
49 HD2 PHE 6 HD1 PHE 6 16.987 1.910 -5.456
50 HE1 PHE 6 HE2 PHE 6 21.149 2.874 -3.017
51 HE2 PHE 6 HE1 PHE 6 19.084 0.813 -6.126
52 HZ PHE 6 HZ PHE 6 21.169 1.293 -4.905
53 H GLY 7 H GLY 7 13.710 1.926 -2.355
54 HA2 GLY 7 HA2 GLY 7 11.948 4.033 -2.703
55 HA3 GLY 7 HA3 GLY 7 11.517 2.492 -1.976
56 H GLY 8 H GLY 8 12.217 2.275 0.387
57 HA2 GLY 8 HA2 GLY 8 12.680 3.425 2.463
58 HA3 GLY 8 HA3 GLY 8 11.955 4.867 1.768
59 H CYS 9 H CYS 9 11.452 2.873 4.146
60 HA CYS 9 HA CYS 9 8.593 3.256 4.125
61 HB2 CYS 9 HB2 CYS 9 8.222 0.775 4.676
62 HB3 CYS 9 HB3 CYS 9 8.499 1.197 2.989
63 H SER 10 H SER 10 7.698 2.002 6.208
64 HA SER 10 HA SER 10 9.537 2.721 8.394
65 HB2 SER 10 HB2 SER 10 7.498 4.106 8.280
66 HB3 SER 10 HB3 SER 10 6.509 2.652 8.413
67 HG SER 10 HG SER 10 6.881 3.799 10.424
68 H SER 11 H SER 11 7.607 0.217 7.010
69 HA SER 11 HA SER 11 8.476 -1.598 9.154
70 HB2 SER 11 HB2 SER 11 5.736 -1.502 7.873
71 HB3 SER 11 HB3 SER 11 6.300 -2.814 8.908
72 HG SER 11 HG SER 11 5.050 -0.942 9.860
73 H THR 12 H THR 12 8.431 -3.903 8.477
74 HA THR 12 HA THR 12 9.781 -4.214 5.991
75 HB THR 12 HB THR 12 9.791 -6.625 6.512
76 HG1 THR 12 HG1 THR 12 7.916 -5.783 8.434
77 HG21 THR 12 HG21 THR 12 11.259 -6.501 8.335
78 HG22 THR 12 HG22 THR 12 10.395 -5.141 9.054
79 HG23 THR 12 HG23 THR 12 11.360 -4.903 7.597
80 H SER 13 H SER 13 6.484 -4.477 6.990
81 HA SER 13 HA SER 13 5.474 -6.231 5.064
82 HB2 SER 13 HB2 SER 13 3.311 -5.309 5.555
83 HB3 SER 13 HB3 SER 13 4.232 -5.316 7.059
84 HG SER 13 HG SER 13 4.182 -3.209 7.095
85 H ASP 14 H ASP 14 6.627 -3.002 4.774
86 HA ASP 14 HA ASP 14 5.227 -2.308 2.387
87 HB2 ASP 14 HB2 ASP 14 6.597 -0.854 4.173
88 HB3 ASP 14 HB3 ASP 14 7.864 -1.066 2.967
89 H CYS 15 H CYS 15 8.387 -3.717 3.091
90 HA CYS 15 HA CYS 15 9.347 -3.681 0.426
91 HB2 CYS 15 HB2 CYS 15 10.121 -5.447 2.757
92 HB3 CYS 15 HB3 CYS 15 11.018 -5.324 1.247
93 H CYS 16 H CYS 16 8.485 -4.744 -1.221
94 HA CYS 16 HA CYS 16 7.378 -7.432 -0.734
95 HB2 CYS 16 HB2 CYS 16 6.512 -5.492 -2.885
96 HB3 CYS 16 HB3 CYS 16 5.777 -7.047 -2.508
97 H LYS 17 H LYS 17 9.788 -5.671 -2.246
98 HA LYS 17 HA LYS 17 10.108 -7.540 -4.468
99 HB2 LYS 17 HB2 LYS 17 11.373 -4.918 -3.735
100 HB3 LYS 17 HB3 LYS 17 12.141 -5.977 -4.911
101 HG2 LYS 17 HG2 LYS 17 9.268 -5.258 -5.249
102 HG3 LYS 17 HG3 LYS 17 10.518 -4.092 -5.687
103 HD2 LYS 17 HD2 LYS 17 11.558 -5.845 -7.120
104 HD3 LYS 17 HD3 LYS 17 10.180 -6.890 -6.766
105 HE2 LYS 17 HE2 LYS 17 8.716 -5.026 -7.658
106 HE3 LYS 17 HE3 LYS 17 10.195 -4.269 -8.246
107 HZ1 LYS 17 HZ1 LYS 17 9.426 -5.492 -10.045
108 HZ2 LYS 17 HZ2 LYS 17 8.969 -6.816 -9.096
109 HZ3 LYS 17 HZ3 LYS 17 10.607 -6.503 -9.378
110 H HIS 18 H HIS 18 10.426 -8.610 -1.871
111 HA HIS 18 HA HIS 18 11.811 -9.995 -0.713
112 HB2 HIS 18 HB2 HIS 18 13.735 -9.699 -3.024
113 HB3 HIS 18 HB3 HIS 18 13.654 -11.022 -1.864
114 HD1 HIS 18 HD1 HIS 18 12.155 -12.948 -2.434
115 HD2 HIS 18 HD2 HIS 18 11.504 -9.647 -4.871
116 HE1 HIS 18 HE1 HIS 18 10.580 -13.738 -4.228
117 H LEU 19 H LEU 19 11.892 -7.325 -0.021
118 HA LEU 19 HA LEU 19 14.726 -6.961 0.698
119 HB2 LEU 19 HB2 LEU 19 12.669 -4.802 0.259
120 HB3 LEU 19 HB3 LEU 19 14.354 -4.557 0.713
121 HG LEU 19 HG LEU 19 13.921 -6.038 -1.798
122 HD11 LEU 19 HD11 LEU 19 13.161 -4.279 -3.101
123 HD12 LEU 19 HD12 LEU 19 13.519 -3.074 -1.865
124 HD13 LEU 19 HD13 LEU 19 12.148 -4.164 -1.661
125 HD21 LEU 19 HD21 LEU 19 15.625 -3.622 -1.267
126 HD22 LEU 19 HD22 LEU 19 15.846 -4.880 -2.483
127 HD23 LEU 19 HD23 LEU 19 16.115 -5.244 -0.778
128 H SER 20 H SER 20 15.031 -5.683 2.723
129 HA SER 20 HA SER 20 12.891 -6.275 4.661
130 HB2 SER 20 HB2 SER 20 15.869 -6.626 4.877
131 HB3 SER 20 HB3 SER 20 14.883 -6.411 6.323
132 HG SER 20 HG SER 20 13.583 -8.207 5.392
133 H CYS 21 H CYS 21 12.028 -4.505 5.494
134 HA CYS 21 HA CYS 21 13.287 -1.940 5.219
135 HB2 CYS 21 HB2 CYS 21 10.726 -2.626 5.230
136 HB3 CYS 21 HB3 CYS 21 10.894 -2.336 6.959
137 H ARG 22 H ARG 22 14.903 -1.360 6.510
138 HA ARG 22 HA ARG 22 15.236 -2.461 9.141
139 HB2 ARG 22 HB2 ARG 22 16.741 -0.195 7.822
140 HB3 ARG 22 HB3 ARG 22 17.246 -1.095 9.246
141 HG2 ARG 22 HG2 ARG 22 16.759 -2.510 6.660
142 HG3 ARG 22 HG3 ARG 22 18.281 -1.666 6.952
143 HD2 ARG 22 HD2 ARG 22 17.099 -3.862 8.649
144 HD3 ARG 22 HD3 ARG 22 18.470 -4.017 7.550
145 HE ARG 22 HE ARG 22 18.510 -2.975 10.208
146 HH11 ARG 22 HH11 ARG 22 20.019 -2.757 7.079
147 HH12 ARG 22 HH12 ARG 22 21.532 -2.191 7.703
148 HH21 ARG 22 HH21 ARG 22 20.497 -2.230 11.043
149 HH22 ARG 22 HH22 ARG 22 21.804 -1.892 9.958
150 H SER 23 H SER 23 14.705 -1.594 11.060
151 HA SER 23 HA SER 23 12.944 0.670 11.110
152 HB2 SER 23 HB2 SER 23 13.298 0.207 13.710
153 HB3 SER 23 HB3 SER 23 12.281 -0.836 12.715
154 HG SER 23 HG SER 23 14.729 -1.343 13.892
155 H ASP 24 H ASP 24 16.235 0.422 11.008
156 HA ASP 24 HA ASP 24 16.831 2.608 12.822
157 HB2 ASP 24 HB2 ASP 24 18.374 0.647 12.483
158 HB3 ASP 24 HB3 ASP 24 18.690 1.256 10.860
159 H TRP 25 H TRP 25 17.346 2.022 9.339
160 HA TRP 25 HA TRP 25 17.519 4.898 8.895
161 HB2 TRP 25 HB2 TRP 25 18.236 2.462 7.332
162 HB3 TRP 25 HB3 TRP 25 17.858 3.932 6.438
163 HD1 TRP 25 HD1 TRP 25 20.094 3.142 9.528
164 HE1 TRP 25 HE1 TRP 25 22.332 4.372 9.208
165 HE3 TRP 25 HE3 TRP 25 19.149 5.387 5.034
166 HZ2 TRP 25 HZ2 TRP 25 23.537 6.070 7.302
167 HZ3 TRP 25 HZ3 TRP 25 20.897 6.799 4.031
168 HH2 TRP 25 HH2 TRP 25 23.044 7.133 5.143
169 H LYS 26 H LYS 26 15.200 2.439 8.790
170 HA LYS 26 HA LYS 26 13.022 2.382 8.137
171 HB2 LYS 26 HB2 LYS 26 13.256 5.319 7.496
172 HB3 LYS 26 HB3 LYS 26 11.813 4.423 7.952
173 HG2 LYS 26 HG2 LYS 26 13.001 4.004 10.178
174 HG3 LYS 26 HG3 LYS 26 14.105 5.286 9.677
175 HD2 LYS 26 HD2 LYS 26 12.405 6.900 9.666
176 HD3 LYS 26 HD3 LYS 26 11.129 5.682 9.658
177 HE2 LYS 26 HE2 LYS 26 11.074 6.372 11.851
178 HE3 LYS 26 HE3 LYS 26 12.173 4.997 11.953
179 HZ1 LYS 26 HZ1 LYS 26 12.975 7.851 11.773
180 HZ2 LYS 26 HZ2 LYS 26 14.039 6.538 11.844
181 HZ3 LYS 26 HZ3 LYS 26 13.039 6.889 13.163
182 H TYR 27 H TYR 27 14.683 1.439 6.282
183 HA TYR 27 HA TYR 27 13.317 2.107 3.815
184 HB2 TYR 27 HB2 TYR 27 15.186 2.727 2.547
185 HB3 TYR 27 HB3 TYR 27 15.409 3.597 4.060
186 HD1 TYR 27 HD2 TYR 27 16.616 1.804 5.879
187 HD2 TYR 27 HD1 TYR 27 17.202 2.044 1.672
188 HE1 TYR 27 HE2 TYR 27 18.842 0.791 6.137
189 HE2 TYR 27 HE1 TYR 27 19.430 1.031 1.918
190 HH TYR 27 HH TYR 27 21.067 0.529 3.438
191 H CYS 28 H CYS 28 13.634 0.524 2.145
192 HA CYS 28 HA CYS 28 13.751 -2.122 3.130
193 HB2 CYS 28 HB2 CYS 28 13.578 -0.894 0.401
194 HB3 CYS 28 HB3 CYS 28 13.879 -2.622 0.559
195 H ALA 29 H ALA 29 15.236 -3.805 2.560
196 HA ALA 29 HA ALA 29 17.900 -2.918 1.712
197 HB1 ALA 29 HB1 ALA 29 17.353 -4.546 4.191
198 HB2 ALA 29 HB2 ALA 29 18.950 -4.216 3.518
199 HB3 ALA 29 HB3 ALA 29 17.961 -2.892 4.135
200 H TRP 30 H TRP 30 19.058 -4.408 0.556
201 HA TRP 30 HA TRP 30 17.588 -6.580 -0.588
202 HB2 TRP 30 HB2 TRP 30 20.198 -5.273 -1.039
203 HB3 TRP 30 HB3 TRP 30 20.124 -6.978 -1.472
204 HD1 TRP 30 HD1 TRP 30 19.947 -3.943 -3.209
205 HE1 TRP 30 HE1 TRP 30 18.365 -4.007 -5.238
206 HE3 TRP 30 HE3 TRP 30 17.260 -8.125 -2.012
207 HZ2 TRP 30 HZ2 TRP 30 16.257 -5.617 -6.203
208 HZ3 TRP 30 HZ3 TRP 30 15.478 -8.859 -3.541
209 HH2 TRP 30 HH2 TRP 30 14.988 -7.629 -5.592
210 H ASP 31 H ASP 31 18.586 -8.793 -0.766
211 HA ASP 31 HA ASP 31 19.059 -10.760 0.283
212 HB2 ASP 31 HB2 ASP 31 21.187 -9.229 1.774
213 HB3 ASP 31 HB3 ASP 31 21.209 -10.918 1.273
214 H GLY 32 H GLY 32 16.998 -9.265 1.495
215 HA2 GLY 32 HA2 GLY 32 15.730 -9.244 3.407
216 HA3 GLY 32 HA3 GLY 32 16.694 -10.618 3.927
217 H THR 33 H THR 33 16.931 -10.062 6.048
218 HA THR 33 HA THR 33 17.834 -7.410 6.784
219 HB THR 33 HB THR 33 17.445 -9.844 8.536
220 HG1 THR 33 HG1 THR 33 15.685 -7.634 8.340
221 HG21 THR 33 HG21 THR 33 18.764 -8.415 9.801
222 HG22 THR 33 HG22 THR 33 17.136 -7.908 10.252
223 HG23 THR 33 HG23 THR 33 18.061 -6.967 9.083
224 H PHE 34 H PHE 34 19.834 -6.856 7.550
225 HA PHE 34 HA PHE 34 22.029 -8.514 6.746
226 HB2 PHE 34 HB2 PHE 34 21.748 -5.791 7.956
227 HB3 PHE 34 HB3 PHE 34 23.319 -6.586 7.989
228 HD1 PHE 34 HD1 PHE 34 20.646 -5.348 5.762
229 HD2 PHE 34 HD2 PHE 34 24.672 -6.699 6.066
230 HE1 PHE 34 HE1 PHE 34 21.068 -4.598 3.457
231 HE2 PHE 34 HE2 PHE 34 25.100 -5.949 3.762
232 HZ PHE 34 HZ PHE 34 23.298 -4.897 2.455
233 H SER 35 H SER 35 23.635 -9.424 8.056
234 HA SER 35 HA SER 35 22.670 -10.309 10.645
235 HB2 SER 35 HB2 SER 35 24.866 -11.670 10.546
236 HB3 SER 35 HB3 SER 35 23.588 -12.078 9.401
237 HG SER 35 HG SER 35 25.688 -11.886 8.435
Start of MODEL 5
1 H1 GLU 1 H GLU 1 2.393 1.614 0.290
2 HA GLU 1 HA GLU 1 1.846 -0.551 -1.623
3 HB2 GLU 1 HB2 GLU 1 1.421 1.774 -2.390
4 HB3 GLU 1 HB3 GLU 1 3.121 2.142 -2.132
5 HG2 GLU 1 HG2 GLU 1 3.810 0.859 -3.921
6 HG3 GLU 1 HG3 GLU 1 2.341 -0.115 -3.921
7 H CYS 2 H CYS 2 3.521 -1.689 -2.587
8 HA CYS 2 HA CYS 2 5.874 -1.999 -0.987
9 HB2 CYS 2 HB2 CYS 2 5.367 -3.214 -3.704
10 HB3 CYS 2 HB3 CYS 2 6.424 -3.821 -2.434
11 H ARG 3 H ARG 3 7.947 -1.388 -1.401
12 HA ARG 3 HA ARG 3 8.471 0.101 -3.879
13 HB2 ARG 3 HB2 ARG 3 9.488 1.002 -1.187
14 HB3 ARG 3 HB3 ARG 3 9.563 1.870 -2.715
15 HG2 ARG 3 HG2 ARG 3 6.851 1.386 -2.281
16 HG3 ARG 3 HG3 ARG 3 7.503 1.862 -0.712
17 HD2 ARG 3 HD2 ARG 3 8.511 3.849 -1.768
18 HD3 ARG 3 HD3 ARG 3 7.781 3.381 -3.303
19 HE ARG 3 HE ARG 3 5.851 3.614 -1.212
20 HH11 ARG 3 HH11 ARG 3 7.734 5.423 -3.514
21 HH12 ARG 3 HH12 ARG 3 6.616 6.744 -3.587
22 HH21 ARG 3 HH21 ARG 3 4.371 5.348 -1.299
23 HH22 ARG 3 HH22 ARG 3 4.704 6.701 -2.325
24 H TYR 4 H TYR 4 10.929 0.569 -4.033
25 HA TYR 4 HA TYR 4 12.266 -1.989 -3.708
26 HB2 TYR 4 HB2 TYR 4 14.124 -0.597 -4.960
27 HB3 TYR 4 HB3 TYR 4 12.718 -1.204 -5.826
28 HD1 TYR 4 HD2 TYR 4 14.240 1.801 -4.316
29 HD2 TYR 4 HD1 TYR 4 11.123 0.287 -6.785
30 HE1 TYR 4 HE2 TYR 4 13.703 4.091 -5.033
31 HE2 TYR 4 HE1 TYR 4 10.579 2.573 -7.509
32 HH TYR 4 HH TYR 4 12.154 4.898 -7.601
33 H LEU 5 H LEU 5 14.843 -1.501 -3.389
34 HA LEU 5 HA LEU 5 15.218 -1.144 -0.678
35 HB2 LEU 5 HB2 LEU 5 16.806 -2.144 -2.377
36 HB3 LEU 5 HB3 LEU 5 17.302 -0.494 -2.748
37 HG LEU 5 HG LEU 5 17.479 -1.559 0.049
38 HD11 LEU 5 HD11 LEU 5 19.493 -1.922 -2.163
39 HD12 LEU 5 HD12 LEU 5 18.660 -3.188 -1.262
40 HD13 LEU 5 HD13 LEU 5 19.832 -2.153 -0.447
41 HD21 LEU 5 HD21 LEU 5 17.787 0.780 -0.089
42 HD22 LEU 5 HD22 LEU 5 18.809 0.637 -1.519
43 HD23 LEU 5 HD23 LEU 5 19.401 0.083 0.048
44 H PHE 6 H PHE 6 15.739 1.229 -3.275
45 HA PHE 6 HA PHE 6 16.376 3.332 -1.424
46 HB2 PHE 6 HB2 PHE 6 15.785 3.396 -4.390
47 HB3 PHE 6 HB3 PHE 6 16.340 4.778 -3.452
48 HD1 PHE 6 HD2 PHE 6 18.517 4.167 -1.963
49 HD2 PHE 6 HD1 PHE 6 17.377 2.316 -5.622
50 HE1 PHE 6 HE2 PHE 6 20.851 3.489 -2.344
51 HE2 PHE 6 HE1 PHE 6 19.709 1.634 -6.008
52 HZ PHE 6 HZ PHE 6 21.450 2.220 -4.367
53 H GLY 7 H GLY 7 13.530 1.868 -2.272
54 HA2 GLY 7 HA2 GLY 7 11.717 3.949 -2.669
55 HA3 GLY 7 HA3 GLY 7 11.325 2.405 -1.928
56 H GLY 8 H GLY 8 12.059 2.218 0.427
57 HA2 GLY 8 HA2 GLY 8 12.529 3.399 2.488
58 HA3 GLY 8 HA3 GLY 8 11.750 4.813 1.794
59 H CYS 9 H CYS 9 11.343 2.832 4.198
60 HA CYS 9 HA CYS 9 8.474 3.124 4.215
61 HB2 CYS 9 HB2 CYS 9 8.195 0.637 4.803
62 HB3 CYS 9 HB3 CYS 9 8.421 1.052 3.107
63 H SER 10 H SER 10 7.651 1.862 6.325
64 HA SER 10 HA SER 10 9.495 2.670 8.475
65 HB2 SER 10 HB2 SER 10 7.395 3.971 8.367
66 HB3 SER 10 HB3 SER 10 6.473 2.479 8.554
67 HG SER 10 HG SER 10 6.715 3.484 10.557
68 H SER 11 H SER 11 7.649 0.079 7.142
69 HA SER 11 HA SER 11 8.614 -1.679 9.292
70 HB2 SER 11 HB2 SER 11 6.232 -1.295 9.687
71 HB3 SER 11 HB3 SER 11 5.863 -1.766 8.028
72 HG SER 11 HG SER 11 5.573 -3.452 9.625
73 H THR 12 H THR 12 8.685 -3.979 8.645
74 HA THR 12 HA THR 12 9.980 -4.260 6.125
75 HB THR 12 HB THR 12 10.000 -6.717 6.700
76 HG1 THR 12 HG1 THR 12 9.089 -5.989 9.264
77 HG21 THR 12 HG21 THR 12 11.159 -4.544 8.356
78 HG22 THR 12 HG22 THR 12 11.962 -5.778 7.385
79 HG23 THR 12 HG23 THR 12 11.303 -6.191 8.968
80 H SER 13 H SER 13 6.734 -4.719 7.241
81 HA SER 13 HA SER 13 5.781 -6.539 5.345
82 HB2 SER 13 HB2 SER 13 4.541 -5.748 7.379
83 HB3 SER 13 HB3 SER 13 4.226 -4.232 6.535
84 HG SER 13 HG SER 13 2.479 -5.495 6.137
85 H ASP 14 H ASP 14 6.721 -3.253 5.021
86 HA ASP 14 HA ASP 14 5.175 -2.626 2.708
87 HB2 ASP 14 HB2 ASP 14 7.554 -1.385 4.054
88 HB3 ASP 14 HB3 ASP 14 7.031 -0.812 2.473
89 H CYS 15 H CYS 15 8.433 -3.874 3.249
90 HA CYS 15 HA CYS 15 9.256 -3.779 0.539
91 HB2 CYS 15 HB2 CYS 15 10.243 -5.529 2.803
92 HB3 CYS 15 HB3 CYS 15 11.063 -5.303 1.261
93 H CYS 16 H CYS 16 8.434 -4.910 -1.080
94 HA CYS 16 HA CYS 16 7.465 -7.642 -0.541
95 HB2 CYS 16 HB2 CYS 16 6.426 -5.802 -2.701
96 HB3 CYS 16 HB3 CYS 16 5.756 -7.352 -2.202
97 H LYS 17 H LYS 17 9.751 -5.794 -2.115
98 HA LYS 17 HA LYS 17 10.067 -7.629 -4.366
99 HB2 LYS 17 HB2 LYS 17 11.262 -4.971 -3.645
100 HB3 LYS 17 HB3 LYS 17 12.030 -5.993 -4.854
101 HG2 LYS 17 HG2 LYS 17 10.714 -4.731 -6.206
102 HG3 LYS 17 HG3 LYS 17 9.588 -6.043 -5.854
103 HD2 LYS 17 HD2 LYS 17 8.557 -4.710 -4.097
104 HD3 LYS 17 HD3 LYS 17 9.715 -3.409 -4.384
105 HE2 LYS 17 HE2 LYS 17 7.656 -4.442 -6.333
106 HE3 LYS 17 HE3 LYS 17 7.588 -2.916 -5.453
107 HZ1 LYS 17 HZ1 LYS 17 9.759 -2.378 -6.599
108 HZ2 LYS 17 HZ2 LYS 17 8.378 -2.383 -7.575
109 HZ3 LYS 17 HZ3 LYS 17 9.449 -3.692 -7.618
110 H HIS 18 H HIS 18 10.500 -8.710 -1.789
111 HA HIS 18 HA HIS 18 11.967 -10.056 -0.688
112 HB2 HIS 18 HB2 HIS 18 13.818 -9.675 -3.043
113 HB3 HIS 18 HB3 HIS 18 13.799 -11.017 -1.903
114 HD1 HIS 18 HD1 HIS 18 13.018 -10.497 -5.223
115 HD2 HIS 18 HD2 HIS 18 10.864 -12.142 -2.074
116 HE1 HIS 18 HE1 HIS 18 11.252 -11.931 -6.294
117 H LEU 19 H LEU 19 11.978 -7.374 0.003
118 HA LEU 19 HA LEU 19 14.814 -6.940 0.674
119 HB2 LEU 19 HB2 LEU 19 12.710 -4.826 0.241
120 HB3 LEU 19 HB3 LEU 19 14.396 -4.544 0.671
121 HG LEU 19 HG LEU 19 13.967 -6.059 -1.819
122 HD11 LEU 19 HD11 LEU 19 13.107 -4.368 -3.124
123 HD12 LEU 19 HD12 LEU 19 13.515 -3.111 -1.956
124 HD13 LEU 19 HD13 LEU 19 12.158 -4.195 -1.647
125 HD21 LEU 19 HD21 LEU 19 15.615 -3.594 -1.329
126 HD22 LEU 19 HD22 LEU 19 15.851 -4.853 -2.542
127 HD23 LEU 19 HD23 LEU 19 16.153 -5.201 -0.839
128 H SER 20 H SER 20 15.122 -5.648 2.685
129 HA SER 20 HA SER 20 13.009 -6.245 4.652
130 HB2 SER 20 HB2 SER 20 15.971 -6.659 4.780
131 HB3 SER 20 HB3 SER 20 15.092 -6.298 6.266
132 HG SER 20 HG SER 20 13.701 -8.093 5.694
133 H CYS 21 H CYS 21 12.151 -4.478 5.496
134 HA CYS 21 HA CYS 21 13.353 -1.901 5.164
135 HB2 CYS 21 HB2 CYS 21 10.811 -2.633 5.315
136 HB3 CYS 21 HB3 CYS 21 11.063 -2.333 7.032
137 H ARG 22 H ARG 22 15.124 -1.459 6.331
138 HA ARG 22 HA ARG 22 15.557 -2.466 8.968
139 HB2 ARG 22 HB2 ARG 22 16.996 -0.466 7.239
140 HB3 ARG 22 HB3 ARG 22 17.489 -0.769 8.899
141 HG2 ARG 22 HG2 ARG 22 17.153 -3.173 7.250
142 HG3 ARG 22 HG3 ARG 22 18.450 -2.088 6.746
143 HD2 ARG 22 HD2 ARG 22 19.279 -3.760 8.309
144 HD3 ARG 22 HD3 ARG 22 19.375 -2.145 9.009
145 HE ARG 22 HE ARG 22 17.836 -2.769 10.597
146 HH11 ARG 22 HH11 ARG 22 17.943 -5.160 8.068
147 HH12 ARG 22 HH12 ARG 22 16.967 -6.303 8.930
148 HH21 ARG 22 HH21 ARG 22 16.551 -4.266 11.741
149 HH22 ARG 22 HH22 ARG 22 16.175 -5.794 11.018
150 H SER 23 H SER 23 15.139 -1.561 10.897
151 HA SER 23 HA SER 23 13.409 0.724 11.003
152 HB2 SER 23 HB2 SER 23 13.326 -1.322 12.535
153 HB3 SER 23 HB3 SER 23 14.710 -0.620 13.372
154 HG SER 23 HG SER 23 13.278 0.488 14.425
155 H ASP 24 H ASP 24 16.695 0.424 10.749
156 HA ASP 24 HA ASP 24 17.479 2.552 12.521
157 HB2 ASP 24 HB2 ASP 24 18.947 1.062 10.341
158 HB3 ASP 24 HB3 ASP 24 19.685 2.335 11.309
159 H TRP 25 H TRP 25 17.533 2.200 8.970
160 HA TRP 25 HA TRP 25 17.520 5.120 8.734
161 HB2 TRP 25 HB2 TRP 25 18.474 2.887 7.049
162 HB3 TRP 25 HB3 TRP 25 17.757 4.239 6.178
163 HD1 TRP 25 HD1 TRP 25 20.341 3.937 9.077
164 HE1 TRP 25 HE1 TRP 25 22.271 5.564 8.576
165 HE3 TRP 25 HE3 TRP 25 18.626 5.900 4.679
166 HZ2 TRP 25 HZ2 TRP 25 22.973 7.433 6.580
167 HZ3 TRP 25 HZ3 TRP 25 19.986 7.603 3.538
168 HH2 TRP 25 HH2 TRP 25 22.114 8.353 4.470
169 H LYS 26 H LYS 26 15.388 2.542 8.686
170 HA LYS 26 HA LYS 26 13.185 2.343 8.154
171 HB2 LYS 26 HB2 LYS 26 13.197 5.291 7.519
172 HB3 LYS 26 HB3 LYS 26 11.838 4.303 8.041
173 HG2 LYS 26 HG2 LYS 26 12.958 3.998 10.227
174 HG3 LYS 26 HG3 LYS 26 14.224 5.106 9.692
175 HD2 LYS 26 HD2 LYS 26 11.375 5.977 9.533
176 HD3 LYS 26 HD3 LYS 26 12.182 5.970 11.104
177 HE2 LYS 26 HE2 LYS 26 13.548 7.233 8.774
178 HE3 LYS 26 HE3 LYS 26 12.232 8.099 9.565
179 HZ1 LYS 26 HZ1 LYS 26 13.894 8.823 10.871
180 HZ2 LYS 26 HZ2 LYS 26 14.906 7.512 10.528
181 HZ3 LYS 26 HZ3 LYS 26 13.671 7.350 11.672
182 H TYR 27 H TYR 27 14.795 1.511 6.205
183 HA TYR 27 HA TYR 27 13.254 2.099 3.820
184 HB2 TYR 27 HB2 TYR 27 15.019 2.817 2.451
185 HB3 TYR 27 HB3 TYR 27 15.258 3.711 3.948
186 HD1 TYR 27 HD2 TYR 27 16.689 2.084 5.719
187 HD2 TYR 27 HD1 TYR 27 17.003 2.183 1.477
188 HE1 TYR 27 HE2 TYR 27 18.985 1.216 5.875
189 HE2 TYR 27 HE1 TYR 27 19.299 1.314 1.621
190 HH TYR 27 HH TYR 27 21.176 1.372 3.478
191 H CYS 28 H CYS 28 13.401 0.487 2.224
192 HA CYS 28 HA CYS 28 13.733 -2.124 3.140
193 HB2 CYS 28 HB2 CYS 28 13.513 -0.909 0.404
194 HB3 CYS 28 HB3 CYS 28 13.825 -2.633 0.583
195 H ALA 29 H ALA 29 15.256 -3.764 2.439
196 HA ALA 29 HA ALA 29 17.874 -2.782 1.579
197 HB1 ALA 29 HB1 ALA 29 18.966 -4.137 3.387
198 HB2 ALA 29 HB2 ALA 29 18.109 -2.699 3.944
199 HB3 ALA 29 HB3 ALA 29 17.376 -4.292 4.136
200 H TRP 30 H TRP 30 19.086 -4.261 0.449
201 HA TRP 30 HA TRP 30 17.666 -6.494 -0.649
202 HB2 TRP 30 HB2 TRP 30 20.223 -5.104 -1.162
203 HB3 TRP 30 HB3 TRP 30 20.199 -6.817 -1.571
204 HD1 TRP 30 HD1 TRP 30 19.890 -3.815 -3.345
205 HE1 TRP 30 HE1 TRP 30 18.278 -3.961 -5.346
206 HE3 TRP 30 HE3 TRP 30 17.369 -8.068 -2.046
207 HZ2 TRP 30 HZ2 TRP 30 16.210 -5.655 -6.253
208 HZ3 TRP 30 HZ3 TRP 30 15.588 -8.884 -3.535
209 HH2 TRP 30 HH2 TRP 30 15.022 -7.701 -5.594
210 H ASP 31 H ASP 31 18.737 -8.673 -0.813
211 HA ASP 31 HA ASP 31 19.338 -10.605 0.232
212 HB2 ASP 31 HB2 ASP 31 21.558 -9.402 0.041
213 HB3 ASP 31 HB3 ASP 31 21.344 -8.904 1.717
214 H GLY 32 H GLY 32 17.281 -8.907 1.480
215 HA2 GLY 32 HA2 GLY 32 15.999 -8.888 3.383
216 HA3 GLY 32 HA3 GLY 32 16.791 -10.404 3.788
217 H THR 33 H THR 33 17.246 -10.180 5.899
218 HA THR 33 HA THR 33 18.217 -7.691 6.985
219 HB THR 33 HB THR 33 18.312 -8.868 9.127
220 HG1 THR 33 HG1 THR 33 17.339 -11.195 7.837
221 HG21 THR 33 HG21 THR 33 16.094 -8.106 7.910
222 HG22 THR 33 HG22 THR 33 16.041 -8.965 9.450
223 HG23 THR 33 HG23 THR 33 15.755 -9.836 7.943
224 H PHE 34 H PHE 34 20.199 -7.687 8.381
225 HA PHE 34 HA PHE 34 22.343 -9.286 7.144
226 HB2 PHE 34 HB2 PHE 34 22.445 -6.403 8.054
227 HB3 PHE 34 HB3 PHE 34 23.844 -7.333 7.526
228 HD1 PHE 34 HD2 PHE 34 23.681 -8.379 5.152
229 HD2 PHE 34 HD1 PHE 34 21.262 -5.156 6.520
230 HE1 PHE 34 HE2 PHE 34 23.232 -7.732 2.821
231 HE2 PHE 34 HE1 PHE 34 20.808 -4.503 4.191
232 HZ PHE 34 HZ PHE 34 21.795 -5.791 2.338
233 H SER 35 H SER 35 24.219 -9.672 8.503
234 HA SER 35 HA SER 35 23.495 -10.558 11.089
235 HB2 SER 35 HB2 SER 35 25.328 -11.496 9.576
236 HB3 SER 35 HB3 SER 35 26.329 -10.153 10.130
237 HG SER 35 HG SER 35 26.582 -12.104 11.369
Start of MODEL 6
1 H1 GLU 1 H GLU 1 1.710 1.447 -0.422
2 HA GLU 1 HA GLU 1 1.727 -0.689 -2.429
3 HB2 GLU 1 HB2 GLU 1 2.529 2.213 -2.516
4 HB3 GLU 1 HB3 GLU 1 2.960 1.089 -3.797
5 HG2 GLU 1 HG2 GLU 1 1.023 2.121 -4.561
6 HG3 GLU 1 HG3 GLU 1 0.471 0.565 -3.945
7 H CYS 2 H CYS 2 3.550 -1.777 -3.010
8 HA CYS 2 HA CYS 2 5.698 -1.845 -1.125
9 HB2 CYS 2 HB2 CYS 2 5.589 -3.198 -3.824
10 HB3 CYS 2 HB3 CYS 2 6.570 -3.659 -2.437
11 H ARG 3 H ARG 3 7.877 -1.342 -1.457
12 HA ARG 3 HA ARG 3 8.479 0.315 -3.810
13 HB2 ARG 3 HB2 ARG 3 9.489 0.994 -1.055
14 HB3 ARG 3 HB3 ARG 3 9.529 1.989 -2.504
15 HG2 ARG 3 HG2 ARG 3 6.829 1.436 -2.067
16 HG3 ARG 3 HG3 ARG 3 7.505 1.790 -0.475
17 HD2 ARG 3 HD2 ARG 3 8.454 3.875 -1.357
18 HD3 ARG 3 HD3 ARG 3 7.748 3.520 -2.934
19 HE ARG 3 HE ARG 3 5.806 3.554 -0.832
20 HH11 ARG 3 HH11 ARG 3 7.626 5.540 -3.037
21 HH12 ARG 3 HH12 ARG 3 6.471 6.831 -3.034
22 HH21 ARG 3 HH21 ARG 3 4.277 5.247 -0.819
23 HH22 ARG 3 HH22 ARG 3 4.567 6.664 -1.771
24 H TYR 4 H TYR 4 10.950 0.767 -3.861
25 HA TYR 4 HA TYR 4 12.257 -1.832 -3.626
26 HB2 TYR 4 HB2 TYR 4 14.101 -0.436 -4.906
27 HB3 TYR 4 HB3 TYR 4 12.688 -1.060 -5.750
28 HD1 TYR 4 HD2 TYR 4 14.149 1.974 -4.214
29 HD2 TYR 4 HD1 TYR 4 11.124 0.405 -6.761
30 HE1 TYR 4 HE2 TYR 4 13.585 4.256 -4.940
31 HE2 TYR 4 HE1 TYR 4 10.552 2.681 -7.494
32 HH TYR 4 HH TYR 4 11.492 4.872 -7.603
33 H LEU 5 H LEU 5 14.847 -1.335 -3.361
34 HA LEU 5 HA LEU 5 15.282 -1.004 -0.660
35 HB2 LEU 5 HB2 LEU 5 16.829 -1.897 -2.524
36 HB3 LEU 5 HB3 LEU 5 17.360 -0.223 -2.673
37 HG LEU 5 HG LEU 5 17.508 -1.775 -0.096
38 HD11 LEU 5 HD11 LEU 5 20.047 -1.686 -0.820
39 HD12 LEU 5 HD12 LEU 5 19.338 -1.709 -2.434
40 HD13 LEU 5 HD13 LEU 5 18.992 -3.015 -1.301
41 HD21 LEU 5 HD21 LEU 5 17.611 0.523 0.359
42 HD22 LEU 5 HD22 LEU 5 18.596 0.850 -1.067
43 HD23 LEU 5 HD23 LEU 5 19.295 -0.001 0.311
44 H PHE 6 H PHE 6 15.701 1.416 -3.232
45 HA PHE 6 HA PHE 6 16.355 3.501 -1.367
46 HB2 PHE 6 HB2 PHE 6 15.763 3.500 -4.327
47 HB3 PHE 6 HB3 PHE 6 16.121 4.970 -3.426
48 HD1 PHE 6 HD1 PHE 6 17.508 1.605 -4.188
49 HD2 PHE 6 HD2 PHE 6 18.313 5.658 -3.166
50 HE1 PHE 6 HE1 PHE 6 19.916 1.202 -4.496
51 HE2 PHE 6 HE2 PHE 6 20.722 5.261 -3.473
52 HZ PHE 6 HZ PHE 6 21.526 3.030 -4.138
53 H GLY 7 H GLY 7 13.499 2.024 -2.246
54 HA2 GLY 7 HA2 GLY 7 11.631 4.030 -2.560
55 HA3 GLY 7 HA3 GLY 7 11.308 2.506 -1.747
56 H GLY 8 H GLY 8 12.144 2.426 0.581
57 HA2 GLY 8 HA2 GLY 8 12.632 3.641 2.597
58 HA3 GLY 8 HA3 GLY 8 11.894 5.061 1.871
59 H CYS 9 H CYS 9 11.443 2.491 3.978
60 HA CYS 9 HA CYS 9 8.588 3.129 4.184
61 HB2 CYS 9 HB2 CYS 9 8.229 0.642 4.710
62 HB3 CYS 9 HB3 CYS 9 8.464 1.086 3.023
63 H SER 10 H SER 10 7.750 1.845 6.274
64 HA SER 10 HA SER 10 9.641 2.548 8.419
65 HB2 SER 10 HB2 SER 10 7.686 2.932 9.842
66 HB3 SER 10 HB3 SER 10 7.574 3.902 8.373
67 HG SER 10 HG SER 10 5.600 2.881 8.799
68 H SER 11 H SER 11 7.730 0.032 7.040
69 HA SER 11 HA SER 11 8.682 -1.801 9.131
70 HB2 SER 11 HB2 SER 11 5.959 -2.089 7.863
71 HB3 SER 11 HB3 SER 11 6.592 -2.913 9.289
72 HG SER 11 HG SER 11 5.110 -1.107 9.679
73 H THR 12 H THR 12 8.641 -4.096 8.419
74 HA THR 12 HA THR 12 9.916 -4.352 5.888
75 HB THR 12 HB THR 12 9.983 -6.763 6.365
76 HG1 THR 12 HG1 THR 12 8.892 -7.613 8.078
77 HG21 THR 12 HG21 THR 12 11.780 -5.660 7.354
78 HG22 THR 12 HG22 THR 12 11.073 -6.543 8.707
79 HG23 THR 12 HG23 THR 12 10.752 -4.820 8.515
80 H SER 13 H SER 13 6.652 -4.602 6.956
81 HA SER 13 HA SER 13 5.572 -6.363 5.084
82 HB2 SER 13 HB2 SER 13 4.431 -5.276 7.108
83 HB3 SER 13 HB3 SER 13 4.133 -3.895 6.052
84 HG SER 13 HG SER 13 3.421 -6.476 5.202
85 H ASP 14 H ASP 14 6.762 -3.151 4.707
86 HA ASP 14 HA ASP 14 5.345 -2.522 2.306
87 HB2 ASP 14 HB2 ASP 14 7.680 -1.332 3.764
88 HB3 ASP 14 HB3 ASP 14 7.311 -0.802 2.125
89 H CYS 15 H CYS 15 8.519 -3.878 3.053
90 HA CYS 15 HA CYS 15 9.513 -3.884 0.409
91 HB2 CYS 15 HB2 CYS 15 10.222 -5.610 2.789
92 HB3 CYS 15 HB3 CYS 15 11.129 -5.584 1.280
93 H CYS 16 H CYS 16 8.667 -4.942 -1.250
94 HA CYS 16 HA CYS 16 7.513 -7.613 -0.774
95 HB2 CYS 16 HB2 CYS 16 6.729 -5.594 -2.888
96 HB3 CYS 16 HB3 CYS 16 6.027 -7.196 -2.690
97 H LYS 17 H LYS 17 9.947 -5.855 -2.303
98 HA LYS 17 HA LYS 17 10.320 -7.802 -4.448
99 HB2 LYS 17 HB2 LYS 17 12.067 -5.417 -3.855
100 HB3 LYS 17 HB3 LYS 17 11.917 -6.301 -5.369
101 HG2 LYS 17 HG2 LYS 17 9.726 -4.653 -4.125
102 HG3 LYS 17 HG3 LYS 17 10.810 -4.096 -5.402
103 HD2 LYS 17 HD2 LYS 17 9.102 -4.815 -6.715
104 HD3 LYS 17 HD3 LYS 17 9.948 -6.355 -6.540
105 HE2 LYS 17 HE2 LYS 17 8.396 -7.191 -5.060
106 HE3 LYS 17 HE3 LYS 17 7.889 -5.591 -4.522
107 HZ1 LYS 17 HZ1 LYS 17 6.913 -5.309 -6.802
108 HZ2 LYS 17 HZ2 LYS 17 6.141 -6.449 -5.819
109 HZ3 LYS 17 HZ3 LYS 17 7.182 -6.961 -7.051
110 H HIS 18 H HIS 18 10.630 -8.769 -1.811
111 HA HIS 18 HA HIS 18 12.026 -10.091 -0.595
112 HB2 HIS 18 HB2 HIS 18 14.009 -9.828 -2.856
113 HB3 HIS 18 HB3 HIS 18 13.878 -11.138 -1.685
114 HD1 HIS 18 HD1 HIS 18 12.873 -10.201 -5.028
115 HD2 HIS 18 HD2 HIS 18 11.376 -12.672 -2.043
116 HE1 HIS 18 HE1 HIS 18 11.247 -11.736 -6.179
117 H LEU 19 H LEU 19 12.059 -7.318 -0.115
118 HA LEU 19 HA LEU 19 14.877 -6.842 0.596
119 HB2 LEU 19 HB2 LEU 19 12.623 -4.889 0.168
120 HB3 LEU 19 HB3 LEU 19 14.221 -4.449 0.765
121 HG LEU 19 HG LEU 19 14.132 -5.881 -1.821
122 HD11 LEU 19 HD11 LEU 19 13.470 -2.959 -1.766
123 HD12 LEU 19 HD12 LEU 19 12.207 -4.189 -1.787
124 HD13 LEU 19 HD13 LEU 19 13.370 -4.096 -3.110
125 HD21 LEU 19 HD21 LEU 19 15.813 -3.954 -0.372
126 HD22 LEU 19 HD22 LEU 19 15.699 -3.691 -2.112
127 HD23 LEU 19 HD23 LEU 19 16.263 -5.242 -1.489
128 H SER 20 H SER 20 15.189 -5.579 2.628
129 HA SER 20 HA SER 20 13.188 -6.341 4.654
130 HB2 SER 20 HB2 SER 20 14.998 -6.732 6.236
131 HB3 SER 20 HB3 SER 20 15.255 -7.713 4.793
132 HG SER 20 HG SER 20 16.869 -6.379 4.160
133 H CYS 21 H CYS 21 12.226 -4.598 5.439
134 HA CYS 21 HA CYS 21 13.417 -1.988 5.249
135 HB2 CYS 21 HB2 CYS 21 10.874 -2.761 5.154
136 HB3 CYS 21 HB3 CYS 21 10.972 -2.465 6.887
137 H ARG 22 H ARG 22 15.017 -1.481 6.604
138 HA ARG 22 HA ARG 22 15.107 -2.544 9.292
139 HB2 ARG 22 HB2 ARG 22 16.936 -0.720 7.733
140 HB3 ARG 22 HB3 ARG 22 17.216 -1.135 9.419
141 HG2 ARG 22 HG2 ARG 22 17.005 -3.592 8.509
142 HG3 ARG 22 HG3 ARG 22 17.447 -2.821 6.984
143 HD2 ARG 22 HD2 ARG 22 19.513 -3.382 7.836
144 HD3 ARG 22 HD3 ARG 22 19.333 -1.723 8.404
145 HE ARG 22 HE ARG 22 18.312 -3.409 10.373
146 HH11 ARG 22 HH11 ARG 22 21.364 -2.693 8.858
147 HH12 ARG 22 HH12 ARG 22 22.302 -3.103 10.256
148 HH21 ARG 22 HH21 ARG 22 19.536 -3.952 12.219
149 HH22 ARG 22 HH22 ARG 22 21.261 -3.820 12.167
150 H SER 23 H SER 23 14.712 -1.466 11.159
151 HA SER 23 HA SER 23 13.131 0.920 11.007
152 HB2 SER 23 HB2 SER 23 12.700 -0.896 12.658
153 HB3 SER 23 HB3 SER 23 14.212 -0.480 13.465
154 HG SER 23 HG SER 23 12.060 0.497 14.178
155 H ASP 24 H ASP 24 16.405 0.396 10.987
156 HA ASP 24 HA ASP 24 17.264 2.550 12.665
157 HB2 ASP 24 HB2 ASP 24 18.700 0.985 10.512
158 HB3 ASP 24 HB3 ASP 24 19.473 2.184 11.545
159 H TRP 25 H TRP 25 17.337 2.117 9.122
160 HA TRP 25 HA TRP 25 17.438 5.034 8.834
161 HB2 TRP 25 HB2 TRP 25 18.343 2.741 7.171
162 HB3 TRP 25 HB3 TRP 25 17.807 4.188 6.322
163 HD1 TRP 25 HD1 TRP 25 20.190 3.497 9.325
164 HE1 TRP 25 HE1 TRP 25 22.278 4.969 9.019
165 HE3 TRP 25 HE3 TRP 25 18.885 5.866 4.987
166 HZ2 TRP 25 HZ2 TRP 25 23.245 6.883 7.183
167 HZ3 TRP 25 HZ3 TRP 25 20.447 7.504 4.022
168 HH2 TRP 25 HH2 TRP 25 22.581 8.001 5.099
169 H LYS 26 H LYS 26 15.285 2.448 8.656
170 HA LYS 26 HA LYS 26 13.108 2.275 8.018
171 HB2 LYS 26 HB2 LYS 26 13.157 5.238 7.463
172 HB3 LYS 26 HB3 LYS 26 11.774 4.242 7.897
173 HG2 LYS 26 HG2 LYS 26 12.756 3.889 10.126
174 HG3 LYS 26 HG3 LYS 26 14.092 4.955 9.683
175 HD2 LYS 26 HD2 LYS 26 11.273 5.916 9.426
176 HD3 LYS 26 HD3 LYS 26 12.054 5.900 11.009
177 HE2 LYS 26 HE2 LYS 26 13.458 7.122 8.672
178 HE3 LYS 26 HE3 LYS 26 12.186 8.024 9.495
179 HZ1 LYS 26 HZ1 LYS 26 13.676 7.149 11.551
180 HZ2 LYS 26 HZ2 LYS 26 13.844 8.669 10.828
181 HZ3 LYS 26 HZ3 LYS 26 14.864 7.398 10.373
182 H TYR 27 H TYR 27 14.797 1.483 6.124
183 HA TYR 27 HA TYR 27 13.375 2.146 3.687
184 HB2 TYR 27 HB2 TYR 27 15.201 2.896 2.424
185 HB3 TYR 27 HB3 TYR 27 15.386 3.738 3.958
186 HD1 TYR 27 HD2 TYR 27 16.718 2.020 5.731
187 HD2 TYR 27 HD1 TYR 27 17.227 2.296 1.516
188 HE1 TYR 27 HE2 TYR 27 18.998 1.123 5.953
189 HE2 TYR 27 HE1 TYR 27 19.507 1.399 1.726
190 HH TYR 27 HH TYR 27 21.259 1.202 3.405
191 H CYS 28 H CYS 28 13.370 0.500 2.203
192 HA CYS 28 HA CYS 28 13.772 -2.102 3.050
193 HB2 CYS 28 HB2 CYS 28 13.412 -0.820 0.378
194 HB3 CYS 28 HB3 CYS 28 13.887 -2.515 0.435
195 H ALA 29 H ALA 29 15.332 -3.687 2.581
196 HA ALA 29 HA ALA 29 17.929 -2.692 1.624
197 HB1 ALA 29 HB1 ALA 29 19.102 -3.444 3.437
198 HB2 ALA 29 HB2 ALA 29 17.594 -2.970 4.222
199 HB3 ALA 29 HB3 ALA 29 17.899 -4.667 3.849
200 H TRP 30 H TRP 30 19.148 -4.130 0.450
201 HA TRP 30 HA TRP 30 17.733 -6.344 -0.705
202 HB2 TRP 30 HB2 TRP 30 20.253 -4.893 -1.225
203 HB3 TRP 30 HB3 TRP 30 20.255 -6.594 -1.682
204 HD1 TRP 30 HD1 TRP 30 19.858 -3.552 -3.367
205 HE1 TRP 30 HE1 TRP 30 18.211 -3.673 -5.341
206 HE3 TRP 30 HE3 TRP 30 17.436 -7.883 -2.138
207 HZ2 TRP 30 HZ2 TRP 30 16.156 -5.379 -6.255
208 HZ3 TRP 30 HZ3 TRP 30 15.642 -8.691 -3.615
209 HH2 TRP 30 HH2 TRP 30 15.016 -7.463 -5.630
210 H ASP 31 H ASP 31 18.838 -8.498 -0.955
211 HA ASP 31 HA ASP 31 19.526 -10.445 0.001
212 HB2 ASP 31 HB2 ASP 31 21.674 -8.934 -0.016
213 HB3 ASP 31 HB3 ASP 31 21.448 -8.933 1.731
214 H GLY 32 H GLY 32 17.410 -8.841 1.307
215 HA2 GLY 32 HA2 GLY 32 16.132 -8.898 3.213
216 HA3 GLY 32 HA3 GLY 32 16.878 -10.462 3.501
217 H THR 33 H THR 33 16.827 -10.041 5.755
218 HA THR 33 HA THR 33 17.983 -7.806 6.994
219 HB THR 33 HB THR 33 18.085 -10.488 8.320
220 HG1 THR 33 HG1 THR 33 15.831 -10.306 8.716
221 HG21 THR 33 HG21 THR 33 18.674 -8.952 9.892
222 HG22 THR 33 HG22 THR 33 16.923 -8.827 10.068
223 HG23 THR 33 HG23 THR 33 17.799 -7.644 9.098
224 H PHE 34 H PHE 34 19.996 -7.493 7.979
225 HA PHE 34 HA PHE 34 22.151 -9.169 6.877
226 HB2 PHE 34 HB2 PHE 34 21.959 -6.236 7.456
227 HB3 PHE 34 HB3 PHE 34 23.533 -7.023 7.492
228 HD1 PHE 34 HD2 PHE 34 23.958 -8.601 5.373
229 HD2 PHE 34 HD1 PHE 34 21.316 -5.266 5.488
230 HE1 PHE 34 HE2 PHE 34 24.115 -8.397 2.926
231 HE2 PHE 34 HE1 PHE 34 21.468 -5.057 3.041
232 HZ PHE 34 HZ PHE 34 22.869 -6.623 1.757
233 H SER 35 H SER 35 23.319 -10.332 8.250
234 HA SER 35 HA SER 35 23.890 -9.396 10.921
235 HB2 SER 35 HB2 SER 35 22.078 -11.750 10.419
236 HB3 SER 35 HB3 SER 35 23.028 -11.620 11.899
237 HG SER 35 HG SER 35 21.478 -10.394 12.587
Start of MODEL 7
1 H1 GLU 1 H GLU 1 1.213 -1.984 -0.552
2 HA GLU 1 HA GLU 1 2.053 -0.010 -2.467
3 HB2 GLU 1 HB2 GLU 1 1.106 1.438 -0.727
4 HB3 GLU 1 HB3 GLU 1 2.127 0.668 0.479
5 HG2 GLU 1 HG2 GLU 1 4.093 1.442 -0.961
6 HG3 GLU 1 HG3 GLU 1 2.923 2.492 -1.757
7 H CYS 2 H CYS 2 3.981 -0.655 -3.134
8 HA CYS 2 HA CYS 2 5.875 -1.763 -1.185
9 HB2 CYS 2 HB2 CYS 2 5.469 -2.978 -3.918
10 HB3 CYS 2 HB3 CYS 2 6.453 -3.602 -2.598
11 H ARG 3 H ARG 3 7.985 -1.218 -1.513
12 HA ARG 3 HA ARG 3 8.644 0.279 -3.955
13 HB2 ARG 3 HB2 ARG 3 9.598 1.099 -1.213
14 HB3 ARG 3 HB3 ARG 3 9.768 1.985 -2.723
15 HG2 ARG 3 HG2 ARG 3 7.015 1.572 -2.360
16 HG3 ARG 3 HG3 ARG 3 7.659 2.078 -0.797
17 HD2 ARG 3 HD2 ARG 3 8.740 4.001 -1.900
18 HD3 ARG 3 HD3 ARG 3 8.015 3.507 -3.429
19 HE ARG 3 HE ARG 3 6.121 3.915 -1.297
20 HH11 ARG 3 HH11 ARG 3 7.885 5.394 -3.909
21 HH12 ARG 3 HH12 ARG 3 6.760 6.698 -4.103
22 HH21 ARG 3 HH21 ARG 3 4.633 5.625 -1.544
23 HH22 ARG 3 HH22 ARG 3 4.911 6.828 -2.757
24 H TYR 4 H TYR 4 11.121 0.661 -4.024
25 HA TYR 4 HA TYR 4 12.356 -1.948 -3.698
26 HB2 TYR 4 HB2 TYR 4 14.300 -0.605 -4.872
27 HB3 TYR 4 HB3 TYR 4 12.901 -1.150 -5.790
28 HD1 TYR 4 HD2 TYR 4 14.483 1.777 -4.191
29 HD2 TYR 4 HD1 TYR 4 11.386 0.410 -6.769
30 HE1 TYR 4 HE2 TYR 4 14.049 4.095 -4.890
31 HE2 TYR 4 HE1 TYR 4 10.945 2.724 -7.476
32 HH TYR 4 HH TYR 4 11.432 5.167 -6.183
33 H LEU 5 H LEU 5 14.939 -1.555 -3.294
34 HA LEU 5 HA LEU 5 15.243 -1.251 -0.568
35 HB2 LEU 5 HB2 LEU 5 16.844 -2.263 -2.270
36 HB3 LEU 5 HB3 LEU 5 17.425 -0.621 -2.535
37 HG LEU 5 HG LEU 5 17.445 -1.880 0.192
38 HD11 LEU 5 HD11 LEU 5 18.743 -3.426 -0.955
39 HD12 LEU 5 HD12 LEU 5 19.928 -2.256 -0.375
40 HD13 LEU 5 HD13 LEU 5 19.395 -2.212 -2.056
41 HD21 LEU 5 HD21 LEU 5 19.478 -0.246 0.250
42 HD22 LEU 5 HD22 LEU 5 17.838 0.375 0.443
43 HD23 LEU 5 HD23 LEU 5 18.658 0.515 -1.114
44 H PHE 6 H PHE 6 15.925 1.141 -3.111
45 HA PHE 6 HA PHE 6 16.574 3.193 -1.207
46 HB2 PHE 6 HB2 PHE 6 16.189 3.184 -4.198
47 HB3 PHE 6 HB3 PHE 6 16.501 4.664 -3.298
48 HD1 PHE 6 HD1 PHE 6 17.889 1.344 -4.142
49 HD2 PHE 6 HD2 PHE 6 18.675 5.244 -2.629
50 HE1 PHE 6 HE1 PHE 6 20.306 0.897 -4.256
51 HE2 PHE 6 HE2 PHE 6 21.093 4.804 -2.742
52 HZ PHE 6 HZ PHE 6 21.911 2.629 -3.557
53 H GLY 7 H GLY 7 13.708 1.843 -2.175
54 HA2 GLY 7 HA2 GLY 7 11.972 3.971 -2.608
55 HA3 GLY 7 HA3 GLY 7 11.515 2.446 -1.865
56 H GLY 8 H GLY 8 12.187 2.257 0.509
57 HA2 GLY 8 HA2 GLY 8 12.639 3.435 2.573
58 HA3 GLY 8 HA3 GLY 8 11.932 4.872 1.849
59 H CYS 9 H CYS 9 11.396 2.847 4.225
60 HA CYS 9 HA CYS 9 8.546 3.290 4.203
61 HB2 CYS 9 HB2 CYS 9 8.127 0.809 4.722
62 HB3 CYS 9 HB3 CYS 9 8.411 1.250 3.041
63 H SER 10 H SER 10 7.621 2.023 6.267
64 HA SER 10 HA SER 10 9.478 2.653 8.466
65 HB2 SER 10 HB2 SER 10 7.601 4.161 8.500
66 HB3 SER 10 HB3 SER 10 6.460 2.825 8.344
67 HG SER 10 HG SER 10 6.469 3.205 10.471
68 H SER 11 H SER 11 7.459 0.253 7.036
69 HA SER 11 HA SER 11 8.183 -1.609 9.197
70 HB2 SER 11 HB2 SER 11 5.832 -1.135 9.479
71 HB3 SER 11 HB3 SER 11 5.525 -1.411 7.765
72 HG SER 11 HG SER 11 5.139 -3.179 9.445
73 H THR 12 H THR 12 8.226 -3.879 8.528
74 HA THR 12 HA THR 12 9.631 -4.198 6.072
75 HB THR 12 HB THR 12 9.539 -6.653 6.631
76 HG1 THR 12 HG1 THR 12 7.889 -7.080 7.918
77 HG21 THR 12 HG21 THR 12 10.715 -4.517 8.295
78 HG22 THR 12 HG22 THR 12 11.491 -5.864 7.461
79 HG23 THR 12 HG23 THR 12 10.696 -6.127 9.013
80 H SER 13 H SER 13 6.320 -4.534 7.024
81 HA SER 13 HA SER 13 5.391 -6.312 5.077
82 HB2 SER 13 HB2 SER 13 4.026 -5.589 6.989
83 HB3 SER 13 HB3 SER 13 3.940 -3.960 6.319
84 HG SER 13 HG SER 13 2.121 -4.888 5.600
85 H ASP 14 H ASP 14 6.475 -3.065 4.812
86 HA ASP 14 HA ASP 14 5.070 -2.371 2.429
87 HB2 ASP 14 HB2 ASP 14 6.271 -0.836 4.164
88 HB3 ASP 14 HB3 ASP 14 7.706 -1.156 3.193
89 H CYS 15 H CYS 15 8.244 -3.754 3.122
90 HA CYS 15 HA CYS 15 9.198 -3.689 0.453
91 HB2 CYS 15 HB2 CYS 15 10.006 -5.465 2.766
92 HB3 CYS 15 HB3 CYS 15 10.901 -5.297 1.259
93 H CYS 16 H CYS 16 8.393 -4.779 -1.203
94 HA CYS 16 HA CYS 16 7.306 -7.476 -0.718
95 HB2 CYS 16 HB2 CYS 16 6.418 -5.579 -2.896
96 HB3 CYS 16 HB3 CYS 16 5.682 -7.117 -2.456
97 H LYS 17 H LYS 17 9.717 -5.706 -2.190
98 HA LYS 17 HA LYS 17 10.056 -7.541 -4.437
99 HB2 LYS 17 HB2 LYS 17 11.309 -4.928 -3.657
100 HB3 LYS 17 HB3 LYS 17 12.096 -5.972 -4.833
101 HG2 LYS 17 HG2 LYS 17 9.231 -5.178 -5.167
102 HG3 LYS 17 HG3 LYS 17 10.539 -4.105 -5.671
103 HD2 LYS 17 HD2 LYS 17 11.450 -5.983 -7.042
104 HD3 LYS 17 HD3 LYS 17 10.003 -6.911 -6.639
105 HE2 LYS 17 HE2 LYS 17 8.660 -5.002 -7.596
106 HE3 LYS 17 HE3 LYS 17 10.179 -4.340 -8.197
107 HZ1 LYS 17 HZ1 LYS 17 9.837 -5.600 -9.979
108 HZ2 LYS 17 HZ2 LYS 17 8.595 -6.478 -9.239
109 HZ3 LYS 17 HZ3 LYS 17 10.206 -6.942 -9.018
110 H HIS 18 H HIS 18 10.349 -8.650 -1.854
111 HA HIS 18 HA HIS 18 11.721 -10.060 -0.712
112 HB2 HIS 18 HB2 HIS 18 13.708 -9.709 -2.957
113 HB3 HIS 18 HB3 HIS 18 13.559 -11.075 -1.857
114 HD1 HIS 18 HD1 HIS 18 11.944 -12.910 -2.493
115 HD2 HIS 18 HD2 HIS 18 11.656 -9.576 -4.954
116 HE1 HIS 18 HE1 HIS 18 10.452 -13.605 -4.394
117 H LEU 19 H LEU 19 11.798 -7.321 -0.079
118 HA LEU 19 HA LEU 19 14.609 -6.996 0.748
119 HB2 LEU 19 HB2 LEU 19 12.565 -4.834 0.263
120 HB3 LEU 19 HB3 LEU 19 14.233 -4.588 0.776
121 HG LEU 19 HG LEU 19 13.885 -6.053 -1.759
122 HD11 LEU 19 HD11 LEU 19 13.509 -3.089 -1.836
123 HD12 LEU 19 HD12 LEU 19 12.119 -4.158 -1.652
124 HD13 LEU 19 HD13 LEU 19 13.156 -4.298 -3.071
125 HD21 LEU 19 HD21 LEU 19 16.044 -5.266 -0.650
126 HD22 LEU 19 HD22 LEU 19 15.577 -3.644 -1.161
127 HD23 LEU 19 HD23 LEU 19 15.838 -4.906 -2.365
128 H SER 20 H SER 20 14.868 -5.730 2.787
129 HA SER 20 HA SER 20 12.670 -6.301 4.667
130 HB2 SER 20 HB2 SER 20 15.617 -6.797 4.914
131 HB3 SER 20 HB3 SER 20 14.664 -6.476 6.362
132 HG SER 20 HG SER 20 13.713 -8.361 6.168
133 H CYS 21 H CYS 21 11.845 -4.520 5.516
134 HA CYS 21 HA CYS 21 13.174 -1.988 5.291
135 HB2 CYS 21 HB2 CYS 21 10.589 -2.631 5.287
136 HB3 CYS 21 HB3 CYS 21 10.762 -2.314 7.010
137 H ARG 22 H ARG 22 14.839 -1.556 6.591
138 HA ARG 22 HA ARG 22 15.023 -2.638 9.252
139 HB2 ARG 22 HB2 ARG 22 16.760 -0.708 7.710
140 HB3 ARG 22 HB3 ARG 22 17.122 -1.246 9.345
141 HG2 ARG 22 HG2 ARG 22 17.283 -3.544 8.578
142 HG3 ARG 22 HG3 ARG 22 16.860 -3.039 6.941
143 HD2 ARG 22 HD2 ARG 22 19.186 -3.213 6.892
144 HD3 ARG 22 HD3 ARG 22 18.894 -1.487 7.105
145 HE ARG 22 HE ARG 22 19.954 -1.614 9.119
146 HH11 ARG 22 HH11 ARG 22 18.937 -4.812 8.194
147 HH12 ARG 22 HH12 ARG 22 19.728 -5.590 9.525
148 HH21 ARG 22 HH21 ARG 22 21.000 -2.626 10.875
149 HH22 ARG 22 HH22 ARG 22 20.900 -4.345 11.050
150 H SER 23 H SER 23 14.610 -1.648 11.150
151 HA SER 23 HA SER 23 13.043 0.752 11.117
152 HB2 SER 23 HB2 SER 23 12.874 -1.313 12.712
153 HB3 SER 23 HB3 SER 23 14.121 -0.476 13.635
154 HG SER 23 HG SER 23 12.537 0.631 14.440
155 H ASP 24 H ASP 24 16.308 0.219 11.030
156 HA ASP 24 HA ASP 24 17.169 2.322 12.790
157 HB2 ASP 24 HB2 ASP 24 18.503 0.489 10.841
158 HB3 ASP 24 HB3 ASP 24 19.358 1.938 11.365
159 H TRP 25 H TRP 25 17.315 1.923 9.246
160 HA TRP 25 HA TRP 25 17.493 4.836 8.983
161 HB2 TRP 25 HB2 TRP 25 18.342 2.527 7.324
162 HB3 TRP 25 HB3 TRP 25 17.811 3.964 6.456
163 HD1 TRP 25 HD1 TRP 25 20.210 3.307 9.453
164 HE1 TRP 25 HE1 TRP 25 22.309 4.756 9.106
165 HE3 TRP 25 HE3 TRP 25 18.895 5.606 5.080
166 HZ2 TRP 25 HZ2 TRP 25 23.279 6.626 7.226
167 HZ3 TRP 25 HZ3 TRP 25 20.464 7.211 4.074
168 HH2 TRP 25 HH2 TRP 25 22.610 7.710 5.126
169 H LYS 26 H LYS 26 15.233 2.357 8.827
170 HA LYS 26 HA LYS 26 13.049 2.273 8.197
171 HB2 LYS 26 HB2 LYS 26 13.263 5.230 7.630
172 HB3 LYS 26 HB3 LYS 26 11.810 4.314 8.009
173 HG2 LYS 26 HG2 LYS 26 12.692 3.892 10.267
174 HG3 LYS 26 HG3 LYS 26 14.104 4.878 9.878
175 HD2 LYS 26 HD2 LYS 26 11.326 5.971 9.589
176 HD3 LYS 26 HD3 LYS 26 12.146 5.972 11.152
177 HE2 LYS 26 HE2 LYS 26 13.756 7.471 10.453
178 HE3 LYS 26 HE3 LYS 26 13.551 7.056 8.752
179 HZ1 LYS 26 HZ1 LYS 26 12.398 9.171 10.147
180 HZ2 LYS 26 HZ2 LYS 26 11.142 8.116 9.737
181 HZ3 LYS 26 HZ3 LYS 26 12.151 8.738 8.530
182 H TYR 27 H TYR 27 14.715 1.393 6.309
183 HA TYR 27 HA TYR 27 13.305 2.070 3.867
184 HB2 TYR 27 HB2 TYR 27 15.150 2.740 2.587
185 HB3 TYR 27 HB3 TYR 27 15.371 3.595 4.110
186 HD1 TYR 27 HD2 TYR 27 16.646 1.839 5.897
187 HD2 TYR 27 HD1 TYR 27 17.154 2.071 1.679
188 HE1 TYR 27 HE2 TYR 27 18.894 0.867 6.120
189 HE2 TYR 27 HE1 TYR 27 19.403 1.099 1.891
190 HH TYR 27 HH TYR 27 20.467 -0.565 4.296
191 H CYS 28 H CYS 28 13.379 0.448 2.307
192 HA CYS 28 HA CYS 28 13.608 -2.174 3.197
193 HB2 CYS 28 HB2 CYS 28 13.488 -0.923 0.474
194 HB3 CYS 28 HB3 CYS 28 13.761 -2.656 0.629
195 H ALA 29 H ALA 29 15.101 -3.850 2.656
196 HA ALA 29 HA ALA 29 17.775 -2.965 1.837
197 HB1 ALA 29 HB1 ALA 29 17.401 -4.793 4.192
198 HB2 ALA 29 HB2 ALA 29 18.868 -3.968 3.664
199 HB3 ALA 29 HB3 ALA 29 17.539 -3.043 4.364
200 H TRP 30 H TRP 30 18.961 -4.467 0.714
201 HA TRP 30 HA TRP 30 17.501 -6.623 -0.471
202 HB2 TRP 30 HB2 TRP 30 20.135 -5.339 -0.851
203 HB3 TRP 30 HB3 TRP 30 20.056 -7.043 -1.290
204 HD1 TRP 30 HD1 TRP 30 19.952 -4.003 -3.024
205 HE1 TRP 30 HE1 TRP 30 18.422 -4.048 -5.093
206 HE3 TRP 30 HE3 TRP 30 17.197 -8.162 -1.907
207 HZ2 TRP 30 HZ2 TRP 30 16.325 -5.637 -6.117
208 HZ3 TRP 30 HZ3 TRP 30 15.449 -8.877 -3.483
209 HH2 TRP 30 HH2 TRP 30 15.023 -7.639 -5.544
210 H ASP 31 H ASP 31 18.481 -8.845 -0.628
211 HA ASP 31 HA ASP 31 18.909 -10.819 0.429
212 HB2 ASP 31 HB2 ASP 31 21.004 -9.378 2.034
213 HB3 ASP 31 HB3 ASP 31 21.041 -11.016 1.388
214 H GLY 32 H GLY 32 16.946 -9.029 1.661
215 HA2 GLY 32 HA2 GLY 32 15.677 -8.897 3.569
216 HA3 GLY 32 HA3 GLY 32 16.335 -10.480 3.955
217 H THR 33 H THR 33 17.326 -10.587 5.845
218 HA THR 33 HA THR 33 18.004 -8.226 7.313
219 HB THR 33 HB THR 33 18.653 -11.104 7.977
220 HG1 THR 33 HG1 THR 33 16.724 -10.758 9.368
221 HG21 THR 33 HG21 THR 33 18.786 -8.533 9.512
222 HG22 THR 33 HG22 THR 33 19.975 -9.831 9.406
223 HG23 THR 33 HG23 THR 33 18.502 -10.059 10.348
224 H PHE 34 H PHE 34 19.985 -7.377 7.784
225 HA PHE 34 HA PHE 34 22.254 -8.474 6.262
226 HB2 PHE 34 HB2 PHE 34 21.377 -5.698 6.891
227 HB3 PHE 34 HB3 PHE 34 23.108 -6.003 6.791
228 HD1 PHE 34 HD2 PHE 34 23.596 -7.692 4.644
229 HD2 PHE 34 HD1 PHE 34 20.516 -4.775 4.989
230 HE1 PHE 34 HE2 PHE 34 23.484 -7.526 2.192
231 HE2 PHE 34 HE1 PHE 34 20.398 -4.605 2.537
232 HZ PHE 34 HZ PHE 34 21.884 -5.980 1.135
233 H SER 35 H SER 35 24.072 -9.062 7.294
234 HA SER 35 HA SER 35 25.490 -9.608 8.986
235 HB2 SER 35 HB2 SER 35 25.635 -7.078 9.074
236 HB3 SER 35 HB3 SER 35 24.470 -7.137 10.396
237 HG SER 35 HG SER 35 26.362 -7.219 11.431
Start of MODEL 8
1 H1 GLU 1 H GLU 1 0.456 -1.023 -2.270
2 HA GLU 1 HA GLU 1 2.385 0.717 -1.678
3 HB2 GLU 1 HB2 GLU 1 0.985 -1.237 0.120
4 HB3 GLU 1 HB3 GLU 1 2.178 -0.126 0.778
5 HG2 GLU 1 HG2 GLU 1 -0.280 0.685 -0.758
6 HG3 GLU 1 HG3 GLU 1 -0.123 0.700 0.998
7 H CYS 2 H CYS 2 4.037 -0.627 -3.087
8 HA CYS 2 HA CYS 2 5.970 -1.738 -1.180
9 HB2 CYS 2 HB2 CYS 2 5.515 -2.950 -3.907
10 HB3 CYS 2 HB3 CYS 2 6.531 -3.571 -2.609
11 H ARG 3 H ARG 3 8.071 -1.183 -1.548
12 HA ARG 3 HA ARG 3 8.685 0.303 -4.007
13 HB2 ARG 3 HB2 ARG 3 9.649 1.176 -1.285
14 HB3 ARG 3 HB3 ARG 3 9.793 2.043 -2.808
15 HG2 ARG 3 HG2 ARG 3 7.057 1.627 -2.459
16 HG3 ARG 3 HG3 ARG 3 7.672 2.085 -0.870
17 HD2 ARG 3 HD2 ARG 3 8.758 4.049 -1.884
18 HD3 ARG 3 HD3 ARG 3 8.075 3.600 -3.447
19 HE ARG 3 HE ARG 3 6.114 3.914 -1.367
20 HH11 ARG 3 HH11 ARG 3 7.974 5.533 -3.825
21 HH12 ARG 3 HH12 ARG 3 6.854 6.844 -3.993
22 HH21 ARG 3 HH21 ARG 3 4.632 5.636 -1.579
23 HH22 ARG 3 HH22 ARG 3 4.955 6.903 -2.714
24 H TYR 4 H TYR 4 11.155 0.718 -4.101
25 HA TYR 4 HA TYR 4 12.429 -1.869 -3.753
26 HB2 TYR 4 HB2 TYR 4 14.349 -0.511 -4.948
27 HB3 TYR 4 HB3 TYR 4 12.952 -1.083 -5.854
28 HD1 TYR 4 HD2 TYR 4 14.494 1.881 -4.281
29 HD2 TYR 4 HD1 TYR 4 11.420 0.446 -6.850
30 HE1 TYR 4 HE2 TYR 4 14.025 4.187 -5.000
31 HE2 TYR 4 HE1 TYR 4 10.944 2.747 -7.576
32 HH TYR 4 HH TYR 4 12.232 4.944 -7.693
33 H LEU 5 H LEU 5 15.007 -1.438 -3.364
34 HA LEU 5 HA LEU 5 15.319 -1.102 -0.642
35 HB2 LEU 5 HB2 LEU 5 16.928 -2.134 -2.299
36 HB3 LEU 5 HB3 LEU 5 17.467 -0.495 -2.660
37 HG LEU 5 HG LEU 5 17.555 -1.553 0.144
38 HD11 LEU 5 HD11 LEU 5 18.726 -3.216 -1.136
39 HD12 LEU 5 HD12 LEU 5 19.902 -2.209 -0.293
40 HD13 LEU 5 HD13 LEU 5 19.614 -1.973 -2.017
41 HD21 LEU 5 HD21 LEU 5 18.965 0.606 -1.403
42 HD22 LEU 5 HD22 LEU 5 19.523 0.041 0.172
43 HD23 LEU 5 HD23 LEU 5 17.926 0.773 0.012
44 H PHE 6 H PHE 6 15.963 1.269 -3.215
45 HA PHE 6 HA PHE 6 16.596 3.350 -1.337
46 HB2 PHE 6 HB2 PHE 6 15.975 3.646 -4.280
47 HB3 PHE 6 HB3 PHE 6 16.867 4.770 -3.260
48 HD1 PHE 6 HD2 PHE 6 18.944 3.577 -2.016
49 HD2 PHE 6 HD1 PHE 6 17.216 2.374 -5.715
50 HE1 PHE 6 HE2 PHE 6 21.051 2.468 -2.636
51 HE2 PHE 6 HE1 PHE 6 19.320 1.263 -6.341
52 HZ PHE 6 HZ PHE 6 21.241 1.308 -4.800
53 H GLY 7 H GLY 7 13.743 1.951 -2.248
54 HA2 GLY 7 HA2 GLY 7 11.988 4.073 -2.697
55 HA3 GLY 7 HA3 GLY 7 11.543 2.538 -1.967
56 H GLY 8 H GLY 8 12.213 2.334 0.406
57 HA2 GLY 8 HA2 GLY 8 12.655 3.504 2.480
58 HA3 GLY 8 HA3 GLY 8 11.925 4.934 1.767
59 H CYS 9 H CYS 9 11.415 2.956 4.156
60 HA CYS 9 HA CYS 9 8.554 3.313 4.104
61 HB2 CYS 9 HB2 CYS 9 8.205 0.831 4.675
62 HB3 CYS 9 HB3 CYS 9 8.480 1.247 2.987
63 H SER 10 H SER 10 7.650 2.067 6.188
64 HA SER 10 HA SER 10 9.459 2.825 8.385
65 HB2 SER 10 HB2 SER 10 7.329 4.137 8.155
66 HB3 SER 10 HB3 SER 10 6.440 2.649 8.481
67 HG SER 10 HG SER 10 7.877 2.604 10.454
68 H SER 11 H SER 11 7.592 0.279 6.996
69 HA SER 11 HA SER 11 8.465 -1.507 9.162
70 HB2 SER 11 HB2 SER 11 5.777 -1.725 7.794
71 HB3 SER 11 HB3 SER 11 6.359 -2.670 9.164
72 HG SER 11 HG SER 11 5.458 -1.175 10.324
73 H THR 12 H THR 12 8.499 -3.806 8.508
74 HA THR 12 HA THR 12 9.847 -4.108 6.019
75 HB THR 12 HB THR 12 9.928 -6.513 6.572
76 HG1 THR 12 HG1 THR 12 9.040 -6.972 8.789
77 HG21 THR 12 HG21 THR 12 10.526 -4.866 9.025
78 HG22 THR 12 HG22 THR 12 11.519 -4.828 7.568
79 HG23 THR 12 HG23 THR 12 11.344 -6.329 8.477
80 H SER 13 H SER 13 6.565 -4.485 7.051
81 HA SER 13 HA SER 13 5.613 -6.281 5.132
82 HB2 SER 13 HB2 SER 13 4.344 -5.450 7.134
83 HB3 SER 13 HB3 SER 13 4.087 -3.932 6.275
84 HG SER 13 HG SER 13 2.335 -5.066 5.740
85 H ASP 14 H ASP 14 6.641 -3.017 4.833
86 HA ASP 14 HA ASP 14 5.175 -2.357 2.478
87 HB2 ASP 14 HB2 ASP 14 7.479 -1.163 3.961
88 HB3 ASP 14 HB3 ASP 14 7.167 -0.626 2.312
89 H CYS 15 H CYS 15 8.387 -3.680 3.109
90 HA CYS 15 HA CYS 15 9.287 -3.607 0.423
91 HB2 CYS 15 HB2 CYS 15 10.166 -5.379 2.714
92 HB3 CYS 15 HB3 CYS 15 11.033 -5.179 1.195
93 H CYS 16 H CYS 16 8.485 -4.718 -1.220
94 HA CYS 16 HA CYS 16 7.432 -7.424 -0.711
95 HB2 CYS 16 HB2 CYS 16 6.502 -5.552 -2.893
96 HB3 CYS 16 HB3 CYS 16 5.783 -7.090 -2.428
97 H LYS 17 H LYS 17 9.807 -5.633 -2.220
98 HA LYS 17 HA LYS 17 10.142 -7.479 -4.459
99 HB2 LYS 17 HB2 LYS 17 11.373 -4.846 -3.710
100 HB3 LYS 17 HB3 LYS 17 12.158 -5.887 -4.889
101 HG2 LYS 17 HG2 LYS 17 9.295 -5.019 -5.151
102 HG3 LYS 17 HG3 LYS 17 10.644 -4.085 -5.802
103 HD2 LYS 17 HD2 LYS 17 11.338 -6.233 -6.990
104 HD3 LYS 17 HD3 LYS 17 9.740 -6.850 -6.565
105 HE2 LYS 17 HE2 LYS 17 8.772 -4.822 -7.687
106 HE3 LYS 17 HE3 LYS 17 10.396 -4.451 -8.266
107 HZ1 LYS 17 HZ1 LYS 17 10.157 -5.903 -9.903
108 HZ2 LYS 17 HZ2 LYS 17 8.541 -6.116 -9.452
109 HZ3 LYS 17 HZ3 LYS 17 9.733 -7.145 -8.834
110 H HIS 18 H HIS 18 10.479 -8.562 -1.867
111 HA HIS 18 HA HIS 18 11.882 -9.940 -0.725
112 HB2 HIS 18 HB2 HIS 18 13.807 -9.605 -3.028
113 HB3 HIS 18 HB3 HIS 18 13.726 -10.944 -1.887
114 HD1 HIS 18 HD1 HIS 18 13.171 -10.585 -5.212
115 HD2 HIS 18 HD2 HIS 18 10.651 -11.833 -2.154
116 HE1 HIS 18 HE1 HIS 18 11.372 -11.937 -6.334
117 H LEU 19 H LEU 19 11.939 -7.242 -0.059
118 HA LEU 19 HA LEU 19 14.765 -6.872 0.691
119 HB2 LEU 19 HB2 LEU 19 12.708 -4.721 0.214
120 HB3 LEU 19 HB3 LEU 19 14.387 -4.468 0.687
121 HG LEU 19 HG LEU 19 13.990 -5.968 -1.818
122 HD11 LEU 19 HD11 LEU 19 13.202 -4.252 -3.137
123 HD12 LEU 19 HD12 LEU 19 13.602 -3.011 -1.950
124 HD13 LEU 19 HD13 LEU 19 12.217 -4.069 -1.686
125 HD21 LEU 19 HD21 LEU 19 16.170 -5.166 -0.785
126 HD22 LEU 19 HD22 LEU 19 15.679 -3.543 -1.272
127 HD23 LEU 19 HD23 LEU 19 15.915 -4.796 -2.491
128 H SER 20 H SER 20 15.052 -5.591 2.712
129 HA SER 20 HA SER 20 12.885 -6.154 4.630
130 HB2 SER 20 HB2 SER 20 15.842 -6.602 4.836
131 HB3 SER 20 HB3 SER 20 14.913 -6.263 6.296
132 HG SER 20 HG SER 20 13.483 -8.032 5.400
133 H CYS 21 H CYS 21 12.038 -4.371 5.452
134 HA CYS 21 HA CYS 21 13.299 -1.818 5.159
135 HB2 CYS 21 HB2 CYS 21 10.740 -2.500 5.239
136 HB3 CYS 21 HB3 CYS 21 10.951 -2.209 6.962
137 H ARG 22 H ARG 22 15.053 -1.428 6.372
138 HA ARG 22 HA ARG 22 15.399 -2.447 9.014
139 HB2 ARG 22 HB2 ARG 22 16.917 -0.252 7.592
140 HB3 ARG 22 HB3 ARG 22 17.435 -1.085 9.051
141 HG2 ARG 22 HG2 ARG 22 16.833 -2.797 6.729
142 HG3 ARG 22 HG3 ARG 22 18.249 -1.753 6.588
143 HD2 ARG 22 HD2 ARG 22 17.884 -3.318 9.092
144 HD3 ARG 22 HD3 ARG 22 18.407 -4.171 7.640
145 HE ARG 22 HE ARG 22 19.985 -1.864 8.018
146 HH11 ARG 22 HH11 ARG 22 19.453 -5.040 9.342
147 HH12 ARG 22 HH12 ARG 22 21.071 -5.204 9.939
148 HH21 ARG 22 HH21 ARG 22 22.118 -2.069 8.799
149 HH22 ARG 22 HH22 ARG 22 22.585 -3.514 9.631
150 H SER 23 H SER 23 14.940 -1.553 10.938
151 HA SER 23 HA SER 23 13.239 0.755 11.017
152 HB2 SER 23 HB2 SER 23 12.884 -1.155 12.532
153 HB3 SER 23 HB3 SER 23 14.448 -0.846 13.286
154 HG SER 23 HG SER 23 12.043 0.427 13.640
155 H ASP 24 H ASP 24 16.525 0.412 10.847
156 HA ASP 24 HA ASP 24 17.275 2.533 12.651
157 HB2 ASP 24 HB2 ASP 24 18.697 0.493 11.871
158 HB3 ASP 24 HB3 ASP 24 19.042 1.489 10.460
159 H TRP 25 H TRP 25 17.479 2.144 9.109
160 HA TRP 25 HA TRP 25 17.557 5.056 8.838
161 HB2 TRP 25 HB2 TRP 25 18.425 2.763 7.169
162 HB3 TRP 25 HB3 TRP 25 17.843 4.183 6.306
163 HD1 TRP 25 HD1 TRP 25 20.315 3.598 9.259
164 HE1 TRP 25 HE1 TRP 25 22.372 5.093 8.863
165 HE3 TRP 25 HE3 TRP 25 18.861 5.841 4.900
166 HZ2 TRP 25 HZ2 TRP 25 23.261 6.975 6.955
167 HZ3 TRP 25 HZ3 TRP 25 20.373 7.477 3.855
168 HH2 TRP 25 HH2 TRP 25 22.526 8.031 4.863
169 H LYS 26 H LYS 26 15.341 2.541 8.741
170 HA LYS 26 HA LYS 26 13.147 2.413 8.154
171 HB2 LYS 26 HB2 LYS 26 13.276 5.364 7.542
172 HB3 LYS 26 HB3 LYS 26 11.866 4.420 8.005
173 HG2 LYS 26 HG2 LYS 26 13.038 4.011 10.213
174 HG3 LYS 26 HG3 LYS 26 14.181 5.262 9.720
175 HD2 LYS 26 HD2 LYS 26 12.612 6.939 9.860
176 HD3 LYS 26 HD3 LYS 26 11.259 5.841 9.581
177 HE2 LYS 26 HE2 LYS 26 12.859 5.473 12.055
178 HE3 LYS 26 HE3 LYS 26 11.783 6.867 11.974
179 HZ1 LYS 26 HZ1 LYS 26 10.051 5.562 12.350
180 HZ2 LYS 26 HZ2 LYS 26 11.103 4.261 12.593
181 HZ3 LYS 26 HZ3 LYS 26 10.451 4.545 11.058
182 H TYR 27 H TYR 27 14.797 1.555 6.238
183 HA TYR 27 HA TYR 27 13.325 2.184 3.821
184 HB2 TYR 27 HB2 TYR 27 15.128 2.886 2.501
185 HB3 TYR 27 HB3 TYR 27 15.364 3.754 4.014
186 HD1 TYR 27 HD2 TYR 27 16.711 2.032 5.782
187 HD2 TYR 27 HD1 TYR 27 17.127 2.257 1.554
188 HE1 TYR 27 HE2 TYR 27 18.982 1.106 5.963
189 HE2 TYR 27 HE1 TYR 27 19.399 1.330 1.723
190 HH TYR 27 HH TYR 27 21.225 1.358 4.095
191 H CYS 28 H CYS 28 13.452 0.569 2.237
192 HA CYS 28 HA CYS 28 13.723 -2.048 3.140
193 HB2 CYS 28 HB2 CYS 28 13.589 -0.815 0.407
194 HB3 CYS 28 HB3 CYS 28 13.869 -2.544 0.581
195 H ALA 29 H ALA 29 15.230 -3.714 2.479
196 HA ALA 29 HA ALA 29 17.886 -2.782 1.683
197 HB1 ALA 29 HB1 ALA 29 18.116 -2.708 4.030
198 HB2 ALA 29 HB2 ALA 29 17.271 -4.243 4.237
199 HB3 ALA 29 HB3 ALA 29 18.881 -4.213 3.518
200 H TRP 30 H TRP 30 19.094 -4.279 0.574
201 HA TRP 30 HA TRP 30 17.656 -6.484 -0.560
202 HB2 TRP 30 HB2 TRP 30 20.243 -5.134 -1.023
203 HB3 TRP 30 HB3 TRP 30 20.201 -6.845 -1.437
204 HD1 TRP 30 HD1 TRP 30 19.969 -3.834 -3.208
205 HE1 TRP 30 HE1 TRP 30 18.392 -3.951 -5.238
206 HE3 TRP 30 HE3 TRP 30 17.361 -8.052 -1.967
207 HZ2 TRP 30 HZ2 TRP 30 16.316 -5.611 -6.188
208 HZ3 TRP 30 HZ3 TRP 30 15.595 -8.837 -3.490
209 HH2 TRP 30 HH2 TRP 30 15.085 -7.641 -5.556
210 H ASP 31 H ASP 31 18.693 -8.680 -0.711
211 HA ASP 31 HA ASP 31 19.229 -10.625 0.348
212 HB2 ASP 31 HB2 ASP 31 21.471 -9.354 0.200
213 HB3 ASP 31 HB3 ASP 31 21.262 -9.064 1.924
214 H GLY 32 H GLY 32 17.199 -8.896 1.576
215 HA2 GLY 32 HA2 GLY 32 15.932 -8.798 3.488
216 HA3 GLY 32 HA3 GLY 32 16.632 -10.365 3.867
217 H THR 33 H THR 33 16.450 -9.621 6.099
218 HA THR 33 HA THR 33 17.801 -7.408 7.139
219 HB THR 33 HB THR 33 17.819 -8.710 9.307
220 HG1 THR 33 HG1 THR 33 17.816 -10.814 8.821
221 HG21 THR 33 HG21 THR 33 15.651 -8.150 9.694
222 HG22 THR 33 HG22 THR 33 15.068 -8.968 8.244
223 HG23 THR 33 HG23 THR 33 15.819 -7.377 8.119
224 H PHE 34 H PHE 34 19.852 -7.046 7.834
225 HA PHE 34 HA PHE 34 21.854 -9.040 7.060
226 HB2 PHE 34 HB2 PHE 34 21.973 -6.068 7.527
227 HB3 PHE 34 HB3 PHE 34 23.437 -7.044 7.454
228 HD1 PHE 34 HD2 PHE 34 23.723 -8.524 5.349
229 HD2 PHE 34 HD1 PHE 34 21.069 -5.205 5.588
230 HE1 PHE 34 HE2 PHE 34 23.706 -8.364 2.894
231 HE2 PHE 34 HE1 PHE 34 21.047 -5.041 3.133
232 HZ PHE 34 HZ PHE 34 22.368 -6.621 1.783
233 H SER 35 H SER 35 23.541 -9.647 8.457
234 HA SER 35 HA SER 35 22.803 -9.520 11.283
235 HB2 SER 35 HB2 SER 35 23.295 -11.721 10.132
236 HB3 SER 35 HB3 SER 35 24.977 -11.203 10.024
237 HG SER 35 HG SER 35 24.815 -12.360 11.888
Start of MODEL 9
1 H1 GLU 1 H GLU 1 0.559 -1.408 -2.444
2 HA GLU 1 HA GLU 1 2.228 0.801 -2.737
3 HB2 GLU 1 HB2 GLU 1 0.302 0.315 -1.041
4 HB3 GLU 1 HB3 GLU 1 1.596 -0.305 -0.024
5 HG2 GLU 1 HG2 GLU 1 2.737 1.874 -0.205
6 HG3 GLU 1 HG3 GLU 1 1.369 2.482 -1.135
7 H CYS 2 H CYS 2 3.749 -1.453 -3.434
8 HA CYS 2 HA CYS 2 5.696 -1.734 -1.262
9 HB2 CYS 2 HB2 CYS 2 5.655 -3.203 -3.901
10 HB3 CYS 2 HB3 CYS 2 6.577 -3.618 -2.459
11 H ARG 3 H ARG 3 7.903 -1.304 -1.573
12 HA ARG 3 HA ARG 3 8.579 0.269 -3.963
13 HB2 ARG 3 HB2 ARG 3 9.540 1.001 -1.202
14 HB3 ARG 3 HB3 ARG 3 9.666 1.946 -2.679
15 HG2 ARG 3 HG2 ARG 3 6.930 1.481 -2.296
16 HG3 ARG 3 HG3 ARG 3 7.584 1.913 -0.715
17 HD2 ARG 3 HD2 ARG 3 8.578 3.926 -1.665
18 HD3 ARG 3 HD3 ARG 3 7.970 3.485 -3.260
19 HE ARG 3 HE ARG 3 5.933 3.715 -1.235
20 HH11 ARG 3 HH11 ARG 3 7.793 5.386 -3.658
21 HH12 ARG 3 HH12 ARG 3 6.631 6.655 -3.862
22 HH21 ARG 3 HH21 ARG 3 4.396 5.380 -1.495
23 HH22 ARG 3 HH22 ARG 3 4.700 6.651 -2.630
24 H TYR 4 H TYR 4 11.059 0.662 -3.990
25 HA TYR 4 HA TYR 4 12.303 -1.957 -3.662
26 HB2 TYR 4 HB2 TYR 4 14.200 -0.636 -4.945
27 HB3 TYR 4 HB3 TYR 4 12.788 -1.251 -5.797
28 HD1 TYR 4 HD2 TYR 4 14.272 1.793 -4.296
29 HD2 TYR 4 HD1 TYR 4 11.295 0.217 -6.896
30 HE1 TYR 4 HE2 TYR 4 13.770 4.066 -5.091
31 HE2 TYR 4 HE1 TYR 4 10.786 2.485 -7.698
32 HH TYR 4 HH TYR 4 11.607 4.637 -7.780
33 H LEU 5 H LEU 5 14.900 -1.511 -3.365
34 HA LEU 5 HA LEU 5 15.295 -1.117 -0.666
35 HB2 LEU 5 HB2 LEU 5 16.853 -2.099 -2.473
36 HB3 LEU 5 HB3 LEU 5 17.424 -0.443 -2.665
37 HG LEU 5 HG LEU 5 17.493 -1.909 -0.035
38 HD11 LEU 5 HD11 LEU 5 20.040 -1.932 -0.713
39 HD12 LEU 5 HD12 LEU 5 19.367 -1.972 -2.342
40 HD13 LEU 5 HD13 LEU 5 18.951 -3.237 -1.185
41 HD21 LEU 5 HD21 LEU 5 19.329 -0.174 0.329
42 HD22 LEU 5 HD22 LEU 5 17.661 0.398 0.342
43 HD23 LEU 5 HD23 LEU 5 18.668 0.647 -1.085
44 H PHE 6 H PHE 6 15.813 1.221 -3.295
45 HA PHE 6 HA PHE 6 16.487 3.340 -1.476
46 HB2 PHE 6 HB2 PHE 6 15.816 3.445 -4.425
47 HB3 PHE 6 HB3 PHE 6 16.515 4.759 -3.485
48 HD1 PHE 6 HD2 PHE 6 18.681 3.874 -2.067
49 HD2 PHE 6 HD1 PHE 6 17.284 2.353 -5.789
50 HE1 PHE 6 HE2 PHE 6 20.938 3.030 -2.566
51 HE2 PHE 6 HE1 PHE 6 19.538 1.506 -6.294
52 HZ PHE 6 HZ PHE 6 21.369 1.843 -4.681
53 H GLY 7 H GLY 7 13.613 1.901 -2.332
54 HA2 GLY 7 HA2 GLY 7 11.793 3.934 -2.748
55 HA3 GLY 7 HA3 GLY 7 11.428 2.449 -1.880
56 H GLY 8 H GLY 8 12.236 2.441 0.459
57 HA2 GLY 8 HA2 GLY 8 12.723 3.717 2.434
58 HA3 GLY 8 HA3 GLY 8 12.036 5.128 1.644
59 H CYS 9 H CYS 9 11.473 2.590 3.793
60 HA CYS 9 HA CYS 9 8.637 3.335 3.948
61 HB2 CYS 9 HB2 CYS 9 8.206 0.878 4.555
62 HB3 CYS 9 HB3 CYS 9 8.476 1.257 2.857
63 H SER 10 H SER 10 7.732 2.148 6.067
64 HA SER 10 HA SER 10 9.604 2.882 8.217
65 HB2 SER 10 HB2 SER 10 7.747 3.535 9.548
66 HB3 SER 10 HB3 SER 10 7.433 4.196 7.943
67 HG SER 10 HG SER 10 5.583 3.177 8.754
68 H SER 11 H SER 11 7.659 0.361 6.896
69 HA SER 11 HA SER 11 8.536 -1.417 9.067
70 HB2 SER 11 HB2 SER 11 6.102 -0.792 9.301
71 HB3 SER 11 HB3 SER 11 5.815 -1.601 7.760
72 HG SER 11 HG SER 11 6.807 -2.760 10.153
73 H THR 12 H THR 12 8.459 -3.735 8.434
74 HA THR 12 HA THR 12 9.774 -4.106 5.938
75 HB THR 12 HB THR 12 9.769 -6.505 6.501
76 HG1 THR 12 HG1 THR 12 8.860 -6.919 8.726
77 HG21 THR 12 HG21 THR 12 10.632 -4.450 8.481
78 HG22 THR 12 HG22 THR 12 11.604 -5.527 7.479
79 HG23 THR 12 HG23 THR 12 10.785 -6.153 8.909
80 H SER 13 H SER 13 6.487 -4.268 6.960
81 HA SER 13 HA SER 13 5.407 -6.068 5.128
82 HB2 SER 13 HB2 SER 13 4.317 -4.722 7.115
83 HB3 SER 13 HB3 SER 13 3.898 -3.580 5.838
84 HG SER 13 HG SER 13 3.157 -6.302 6.067
85 H ASP 14 H ASP 14 6.652 -2.885 4.667
86 HA ASP 14 HA ASP 14 5.294 -2.315 2.219
87 HB2 ASP 14 HB2 ASP 14 7.550 -1.104 3.749
88 HB3 ASP 14 HB3 ASP 14 7.387 -0.684 2.046
89 H CYS 15 H CYS 15 8.428 -3.704 3.066
90 HA CYS 15 HA CYS 15 9.469 -3.818 0.444
91 HB2 CYS 15 HB2 CYS 15 10.095 -5.472 2.897
92 HB3 CYS 15 HB3 CYS 15 11.025 -5.533 1.403
93 H CYS 16 H CYS 16 8.637 -4.912 -1.198
94 HA CYS 16 HA CYS 16 7.412 -7.539 -0.661
95 HB2 CYS 16 HB2 CYS 16 6.717 -5.569 -2.850
96 HB3 CYS 16 HB3 CYS 16 5.978 -7.152 -2.624
97 H LYS 17 H LYS 17 9.911 -5.882 -2.200
98 HA LYS 17 HA LYS 17 10.287 -7.910 -4.268
99 HB2 LYS 17 HB2 LYS 17 11.885 -5.412 -3.679
100 HB3 LYS 17 HB3 LYS 17 12.106 -6.468 -5.067
101 HG2 LYS 17 HG2 LYS 17 9.452 -5.194 -4.565
102 HG3 LYS 17 HG3 LYS 17 10.755 -4.274 -5.321
103 HD2 LYS 17 HD2 LYS 17 10.938 -6.348 -6.888
104 HD3 LYS 17 HD3 LYS 17 9.297 -6.683 -6.331
105 HE2 LYS 17 HE2 LYS 17 8.452 -4.723 -7.264
106 HE3 LYS 17 HE3 LYS 17 10.043 -3.971 -7.362
107 HZ1 LYS 17 HZ1 LYS 17 10.233 -6.215 -8.918
108 HZ2 LYS 17 HZ2 LYS 17 10.065 -4.625 -9.469
109 HZ3 LYS 17 HZ3 LYS 17 8.697 -5.601 -9.274
110 H HIS 18 H HIS 18 10.529 -8.789 -1.594
111 HA HIS 18 HA HIS 18 11.876 -10.093 -0.305
112 HB2 HIS 18 HB2 HIS 18 13.899 -9.948 -2.542
113 HB3 HIS 18 HB3 HIS 18 13.732 -11.208 -1.323
114 HD1 HIS 18 HD1 HIS 18 13.104 -10.723 -4.735
115 HD2 HIS 18 HD2 HIS 18 10.894 -12.383 -1.633
116 HE1 HIS 18 HE1 HIS 18 11.390 -12.193 -5.842
117 H LEU 19 H LEU 19 11.953 -7.311 0.087
118 HA LEU 19 HA LEU 19 14.768 -6.857 0.823
119 HB2 LEU 19 HB2 LEU 19 12.551 -4.885 0.301
120 HB3 LEU 19 HB3 LEU 19 14.146 -4.450 0.912
121 HG LEU 19 HG LEU 19 14.070 -5.958 -1.633
122 HD11 LEU 19 HD11 LEU 19 12.186 -4.196 -1.646
123 HD12 LEU 19 HD12 LEU 19 13.334 -4.223 -2.983
124 HD13 LEU 19 HD13 LEU 19 13.500 -3.021 -1.703
125 HD21 LEU 19 HD21 LEU 19 15.682 -3.795 -1.948
126 HD22 LEU 19 HD22 LEU 19 16.207 -5.353 -1.310
127 HD23 LEU 19 HD23 LEU 19 15.777 -4.046 -0.205
128 H SER 20 H SER 20 15.078 -5.548 2.822
129 HA SER 20 HA SER 20 13.035 -6.209 4.841
130 HB2 SER 20 HB2 SER 20 16.010 -6.528 4.897
131 HB3 SER 20 HB3 SER 20 15.160 -6.187 6.403
132 HG SER 20 HG SER 20 14.218 -8.223 4.718
133 H CYS 21 H CYS 21 12.084 -4.410 5.510
134 HA CYS 21 HA CYS 21 13.339 -1.837 5.279
135 HB2 CYS 21 HB2 CYS 21 10.780 -2.565 5.159
136 HB3 CYS 21 HB3 CYS 21 10.852 -2.205 6.881
137 H ARG 22 H ARG 22 14.930 -1.338 6.649
138 HA ARG 22 HA ARG 22 14.945 -2.314 9.369
139 HB2 ARG 22 HB2 ARG 22 16.832 -0.518 7.841
140 HB3 ARG 22 HB3 ARG 22 17.081 -0.994 9.515
141 HG2 ARG 22 HG2 ARG 22 16.966 -3.395 8.681
142 HG3 ARG 22 HG3 ARG 22 17.125 -2.715 7.060
143 HD2 ARG 22 HD2 ARG 22 19.301 -3.358 7.874
144 HD3 ARG 22 HD3 ARG 22 19.211 -1.600 7.771
145 HE ARG 22 HE ARG 22 19.451 -1.486 10.048
146 HH11 ARG 22 HH11 ARG 22 18.687 -4.756 9.133
147 HH12 ARG 22 HH12 ARG 22 18.979 -5.405 10.712
148 HH21 ARG 22 HH21 ARG 22 19.840 -2.328 12.132
149 HH22 ARG 22 HH22 ARG 22 19.634 -4.023 12.418
150 H SER 23 H SER 23 14.526 -1.180 11.196
151 HA SER 23 HA SER 23 12.988 1.226 10.946
152 HB2 SER 23 HB2 SER 23 12.318 0.832 13.097
153 HB3 SER 23 HB3 SER 23 12.921 -0.784 12.728
154 HG SER 23 HG SER 23 14.708 -0.405 13.898
155 H ASP 24 H ASP 24 16.249 0.657 10.992
156 HA ASP 24 HA ASP 24 17.105 2.847 12.632
157 HB2 ASP 24 HB2 ASP 24 18.487 1.021 10.680
158 HB3 ASP 24 HB3 ASP 24 19.321 2.409 11.375
159 H TRP 25 H TRP 25 17.264 2.289 9.110
160 HA TRP 25 HA TRP 25 17.432 5.192 8.723
161 HB2 TRP 25 HB2 TRP 25 18.313 2.821 7.154
162 HB3 TRP 25 HB3 TRP 25 17.839 4.258 6.252
163 HD1 TRP 25 HD1 TRP 25 20.134 3.579 9.325
164 HE1 TRP 25 HE1 TRP 25 22.270 4.984 9.030
165 HE3 TRP 25 HE3 TRP 25 18.991 5.876 4.903
166 HZ2 TRP 25 HZ2 TRP 25 23.330 6.824 7.170
167 HZ3 TRP 25 HZ3 TRP 25 20.619 7.445 3.934
168 HH2 TRP 25 HH2 TRP 25 22.743 7.908 5.046
169 H LYS 26 H LYS 26 15.230 2.639 8.571
170 HA LYS 26 HA LYS 26 13.065 2.489 7.890
171 HB2 LYS 26 HB2 LYS 26 13.183 5.434 7.256
172 HB3 LYS 26 HB3 LYS 26 11.772 4.477 7.687
173 HG2 LYS 26 HG2 LYS 26 12.690 4.173 9.945
174 HG3 LYS 26 HG3 LYS 26 14.066 5.185 9.505
175 HD2 LYS 26 HD2 LYS 26 12.534 7.052 9.058
176 HD3 LYS 26 HD3 LYS 26 11.169 6.036 9.528
177 HE2 LYS 26 HE2 LYS 26 12.011 5.858 11.775
178 HE3 LYS 26 HE3 LYS 26 13.492 6.705 11.330
179 HZ1 LYS 26 HZ1 LYS 26 12.502 8.677 11.531
180 HZ2 LYS 26 HZ2 LYS 26 11.285 7.862 12.377
181 HZ3 LYS 26 HZ3 LYS 26 11.099 8.180 10.726
182 H TYR 27 H TYR 27 14.772 1.608 6.058
183 HA TYR 27 HA TYR 27 13.421 2.236 3.571
184 HB2 TYR 27 HB2 TYR 27 15.292 2.908 2.330
185 HB3 TYR 27 HB3 TYR 27 15.460 3.790 3.844
186 HD1 TYR 27 HD2 TYR 27 16.716 2.102 5.696
187 HD2 TYR 27 HD1 TYR 27 17.321 2.230 1.487
188 HE1 TYR 27 HE2 TYR 27 18.969 1.164 5.998
189 HE2 TYR 27 HE1 TYR 27 19.575 1.291 1.776
190 HH TYR 27 HH TYR 27 20.869 0.058 3.338
191 H CYS 28 H CYS 28 13.386 0.542 2.153
192 HA CYS 28 HA CYS 28 13.726 -2.041 3.079
193 HB2 CYS 28 HB2 CYS 28 13.421 -0.830 0.367
194 HB3 CYS 28 HB3 CYS 28 13.869 -2.529 0.475
195 H ALA 29 H ALA 29 15.262 -3.666 2.694
196 HA ALA 29 HA ALA 29 17.887 -2.762 1.726
197 HB1 ALA 29 HB1 ALA 29 17.871 -2.708 4.190
198 HB2 ALA 29 HB2 ALA 29 17.465 -4.424 4.207
199 HB3 ALA 29 HB3 ALA 29 19.011 -3.890 3.546
200 H TRP 30 H TRP 30 19.060 -4.250 0.587
201 HA TRP 30 HA TRP 30 17.621 -6.490 -0.473
202 HB2 TRP 30 HB2 TRP 30 20.171 -5.109 -1.034
203 HB3 TRP 30 HB3 TRP 30 20.144 -6.827 -1.422
204 HD1 TRP 30 HD1 TRP 30 19.816 -3.849 -3.231
205 HE1 TRP 30 HE1 TRP 30 18.178 -4.019 -5.209
206 HE3 TRP 30 HE3 TRP 30 17.302 -8.080 -1.843
207 HZ2 TRP 30 HZ2 TRP 30 16.095 -5.721 -6.068
208 HZ3 TRP 30 HZ3 TRP 30 15.501 -8.912 -3.298
209 HH2 TRP 30 HH2 TRP 30 14.911 -7.755 -5.366
210 H ASP 31 H ASP 31 18.686 -8.673 -0.628
211 HA ASP 31 HA ASP 31 19.290 -10.596 0.433
212 HB2 ASP 31 HB2 ASP 31 21.332 -8.902 1.874
213 HB3 ASP 31 HB3 ASP 31 21.437 -10.615 1.477
214 H GLY 32 H GLY 32 17.249 -8.908 1.686
215 HA2 GLY 32 HA2 GLY 32 16.046 -8.774 3.639
216 HA3 GLY 32 HA3 GLY 32 16.727 -10.356 3.983
217 H THR 33 H THR 33 17.340 -10.294 6.050
218 HA THR 33 HA THR 33 18.436 -7.905 7.237
219 HB THR 33 HB THR 33 18.479 -9.105 9.307
220 HG1 THR 33 HG1 THR 33 18.049 -11.439 7.725
221 HG21 THR 33 HG21 THR 33 16.222 -8.516 8.132
222 HG22 THR 33 HG22 THR 33 16.216 -9.501 9.595
223 HG23 THR 33 HG23 THR 33 16.043 -10.266 8.016
224 H PHE 34 H PHE 34 20.526 -7.526 7.842
225 HA PHE 34 HA PHE 34 22.547 -9.159 6.541
226 HB2 PHE 34 HB2 PHE 34 22.668 -6.496 7.961
227 HB3 PHE 34 HB3 PHE 34 24.091 -7.314 7.326
228 HD1 PHE 34 HD2 PHE 34 24.053 -7.921 4.819
229 HD2 PHE 34 HD1 PHE 34 21.452 -5.068 6.610
230 HE1 PHE 34 HE2 PHE 34 23.653 -6.907 2.614
231 HE2 PHE 34 HE1 PHE 34 21.047 -4.050 4.408
232 HZ PHE 34 HZ PHE 34 22.148 -4.968 2.406
233 H SER 35 H SER 35 23.234 -10.890 7.617
234 HA SER 35 HA SER 35 23.029 -11.295 10.380
235 HB2 SER 35 HB2 SER 35 24.470 -13.238 10.035
236 HB3 SER 35 HB3 SER 35 23.289 -13.123 8.731
237 HG SER 35 HG SER 35 25.204 -11.810 7.759
Start of MODEL 10
1 H1 GLU 1 H GLU 1 0.454 -0.073 0.131
2 HA GLU 1 HA GLU 1 1.596 -0.824 -2.096
3 HB2 GLU 1 HB2 GLU 1 2.816 1.298 -2.274
4 HB3 GLU 1 HB3 GLU 1 1.212 1.531 -1.594
5 HG2 GLU 1 HG2 GLU 1 2.213 1.603 0.659
6 HG3 GLU 1 HG3 GLU 1 3.810 1.472 -0.077
7 H CYS 2 H CYS 2 3.809 -0.858 -2.984
8 HA CYS 2 HA CYS 2 5.808 -1.803 -1.046
9 HB2 CYS 2 HB2 CYS 2 5.382 -3.078 -3.750
10 HB3 CYS 2 HB3 CYS 2 6.421 -3.644 -2.446
11 H ARG 3 H ARG 3 7.910 -1.242 -1.460
12 HA ARG 3 HA ARG 3 8.451 0.265 -3.925
13 HB2 ARG 3 HB2 ARG 3 9.442 1.123 -1.206
14 HB3 ARG 3 HB3 ARG 3 9.592 1.996 -2.725
15 HG2 ARG 3 HG2 ARG 3 6.843 1.544 -2.320
16 HG3 ARG 3 HG3 ARG 3 7.507 2.105 -0.784
17 HD2 ARG 3 HD2 ARG 3 8.503 4.029 -1.915
18 HD3 ARG 3 HD3 ARG 3 7.853 3.464 -3.454
19 HE ARG 3 HE ARG 3 5.838 3.832 -1.449
20 HH11 ARG 3 HH11 ARG 3 7.755 5.426 -3.880
21 HH12 ARG 3 HH12 ARG 3 6.619 6.712 -4.118
22 HH21 ARG 3 HH21 ARG 3 4.335 5.520 -1.754
23 HH22 ARG 3 HH22 ARG 3 4.675 6.766 -2.908
24 H TYR 4 H TYR 4 10.912 0.708 -4.076
25 HA TYR 4 HA TYR 4 12.222 -1.866 -3.793
26 HB2 TYR 4 HB2 TYR 4 14.106 -0.466 -4.995
27 HB3 TYR 4 HB3 TYR 4 12.698 -1.030 -5.887
28 HD1 TYR 4 HD2 TYR 4 14.238 1.913 -4.272
29 HD2 TYR 4 HD1 TYR 4 11.141 0.506 -6.828
30 HE1 TYR 4 HE2 TYR 4 13.738 4.229 -4.932
31 HE2 TYR 4 HE1 TYR 4 10.633 2.818 -7.495
32 HH TYR 4 HH TYR 4 12.573 5.288 -7.192
33 H LEU 5 H LEU 5 14.801 -1.420 -3.440
34 HA LEU 5 HA LEU 5 15.156 -1.131 -0.717
35 HB2 LEU 5 HB2 LEU 5 16.748 -2.136 -2.386
36 HB3 LEU 5 HB3 LEU 5 17.251 -0.494 -2.783
37 HG LEU 5 HG LEU 5 17.427 -1.479 0.038
38 HD11 LEU 5 HD11 LEU 5 18.531 -3.197 -1.264
39 HD12 LEU 5 HD12 LEU 5 19.726 -2.216 -0.416
40 HD13 LEU 5 HD13 LEU 5 19.451 -1.974 -2.141
41 HD21 LEU 5 HD21 LEU 5 18.783 0.618 -1.631
42 HD22 LEU 5 HD22 LEU 5 19.433 0.086 -0.080
43 HD23 LEU 5 HD23 LEU 5 17.833 0.826 -0.160
44 H PHE 6 H PHE 6 15.743 1.288 -3.257
45 HA PHE 6 HA PHE 6 16.391 3.340 -1.352
46 HB2 PHE 6 HB2 PHE 6 15.737 3.662 -4.286
47 HB3 PHE 6 HB3 PHE 6 16.604 4.801 -3.262
48 HD1 PHE 6 HD2 PHE 6 18.851 4.106 -2.331
49 HD2 PHE 6 HD1 PHE 6 16.869 1.980 -5.440
50 HE1 PHE 6 HE2 PHE 6 20.984 3.057 -2.969
51 HE2 PHE 6 HE1 PHE 6 18.998 0.927 -6.082
52 HZ PHE 6 HZ PHE 6 21.059 1.464 -4.846
53 H GLY 7 H GLY 7 13.538 1.933 -2.209
54 HA2 GLY 7 HA2 GLY 7 11.751 4.032 -2.625
55 HA3 GLY 7 HA3 GLY 7 11.340 2.498 -1.872
56 H GLY 8 H GLY 8 12.068 2.321 0.486
57 HA2 GLY 8 HA2 GLY 8 12.543 3.505 2.541
58 HA3 GLY 8 HA3 GLY 8 11.798 4.930 1.833
59 H CYS 9 H CYS 9 11.342 2.924 4.229
60 HA CYS 9 HA CYS 9 8.484 3.309 4.256
61 HB2 CYS 9 HB2 CYS 9 8.131 0.820 4.808
62 HB3 CYS 9 HB3 CYS 9 8.356 1.260 3.118
63 H SER 10 H SER 10 7.623 2.041 6.347
64 HA SER 10 HA SER 10 9.499 2.745 8.506
65 HB2 SER 10 HB2 SER 10 7.307 2.886 9.876
66 HB3 SER 10 HB3 SER 10 7.660 4.186 8.737
67 HG SER 10 HG SER 10 5.638 3.667 8.216
68 H SER 11 H SER 11 7.556 0.252 7.130
69 HA SER 11 HA SER 11 8.414 -1.567 9.277
70 HB2 SER 11 HB2 SER 11 5.733 -1.694 7.879
71 HB3 SER 11 HB3 SER 11 6.291 -2.739 9.185
72 HG SER 11 HG SER 11 5.004 -1.148 10.069
73 H THR 12 H THR 12 8.475 -3.850 8.608
74 HA THR 12 HA THR 12 9.829 -4.134 6.120
75 HB THR 12 HB THR 12 9.972 -6.518 6.664
76 HG1 THR 12 HG1 THR 12 7.880 -6.732 7.621
77 HG21 THR 12 HG21 THR 12 10.836 -6.123 9.149
78 HG22 THR 12 HG22 THR 12 10.648 -4.435 8.673
79 HG23 THR 12 HG23 THR 12 11.706 -5.500 7.748
80 H SER 13 H SER 13 6.549 -4.533 7.144
81 HA SER 13 HA SER 13 5.611 -6.331 5.220
82 HB2 SER 13 HB2 SER 13 4.372 -5.413 7.256
83 HB3 SER 13 HB3 SER 13 4.010 -3.997 6.271
84 HG SER 13 HG SER 13 2.668 -6.225 6.341
85 H ASP 14 H ASP 14 6.628 -3.065 4.926
86 HA ASP 14 HA ASP 14 5.160 -2.401 2.574
87 HB2 ASP 14 HB2 ASP 14 7.509 -1.215 4.010
88 HB3 ASP 14 HB3 ASP 14 7.095 -0.644 2.396
89 H CYS 15 H CYS 15 8.366 -3.738 3.200
90 HA CYS 15 HA CYS 15 9.256 -3.660 0.506
91 HB2 CYS 15 HB2 CYS 15 10.162 -5.408 2.804
92 HB3 CYS 15 HB3 CYS 15 11.017 -5.218 1.276
93 H CYS 16 H CYS 16 8.442 -4.781 -1.124
94 HA CYS 16 HA CYS 16 7.420 -7.495 -0.595
95 HB2 CYS 16 HB2 CYS 16 6.446 -5.617 -2.755
96 HB3 CYS 16 HB3 CYS 16 5.761 -7.179 -2.318
97 H LYS 17 H LYS 17 9.758 -5.684 -2.139
98 HA LYS 17 HA LYS 17 10.087 -7.537 -4.373
99 HB2 LYS 17 HB2 LYS 17 11.301 -4.887 -3.653
100 HB3 LYS 17 HB3 LYS 17 12.074 -5.925 -4.844
101 HG2 LYS 17 HG2 LYS 17 9.190 -5.135 -5.073
102 HG3 LYS 17 HG3 LYS 17 10.493 -4.120 -5.696
103 HD2 LYS 17 HD2 LYS 17 11.284 -6.238 -6.918
104 HD3 LYS 17 HD3 LYS 17 9.680 -6.880 -6.556
105 HE2 LYS 17 HE2 LYS 17 8.614 -5.216 -7.833
106 HE3 LYS 17 HE3 LYS 17 10.066 -4.219 -7.898
107 HZ1 LYS 17 HZ1 LYS 17 9.240 -6.307 -9.644
108 HZ2 LYS 17 HZ2 LYS 17 10.786 -6.614 -9.029
109 HZ3 LYS 17 HZ3 LYS 17 10.473 -5.167 -9.847
110 H HIS 18 H HIS 18 10.470 -8.605 -1.784
111 HA HIS 18 HA HIS 18 11.904 -9.964 -0.656
112 HB2 HIS 18 HB2 HIS 18 13.803 -9.598 -2.977
113 HB3 HIS 18 HB3 HIS 18 13.755 -10.937 -1.834
114 HD1 HIS 18 HD1 HIS 18 13.320 -10.841 -5.104
115 HD2 HIS 18 HD2 HIS 18 10.535 -11.626 -2.123
116 HE1 HIS 18 HE1 HIS 18 11.495 -12.161 -6.220
117 H LEU 19 H LEU 19 11.933 -7.218 -0.060
118 HA LEU 19 HA LEU 19 14.757 -6.811 0.678
119 HB2 LEU 19 HB2 LEU 19 12.638 -4.715 0.227
120 HB3 LEU 19 HB3 LEU 19 14.307 -4.411 0.704
121 HG LEU 19 HG LEU 19 13.952 -5.909 -1.811
122 HD11 LEU 19 HD11 LEU 19 13.182 -4.156 -3.127
123 HD12 LEU 19 HD12 LEU 19 13.461 -2.955 -1.866
124 HD13 LEU 19 HD13 LEU 19 12.126 -4.097 -1.715
125 HD21 LEU 19 HD21 LEU 19 16.110 -5.055 -0.758
126 HD22 LEU 19 HD22 LEU 19 15.586 -3.448 -1.261
127 HD23 LEU 19 HD23 LEU 19 15.857 -4.706 -2.468
128 H SER 20 H SER 20 15.047 -5.521 2.696
129 HA SER 20 HA SER 20 12.931 -6.144 4.652
130 HB2 SER 20 HB2 SER 20 15.899 -6.532 4.797
131 HB3 SER 20 HB3 SER 20 14.998 -6.206 6.278
132 HG SER 20 HG SER 20 14.039 -8.175 4.537
133 H CYS 21 H CYS 21 12.072 -4.398 5.537
134 HA CYS 21 HA CYS 21 13.288 -1.813 5.232
135 HB2 CYS 21 HB2 CYS 21 10.733 -2.550 5.305
136 HB3 CYS 21 HB3 CYS 21 10.939 -2.223 7.023
137 H ARG 22 H ARG 22 15.095 -1.560 6.445
138 HA ARG 22 HA ARG 22 15.301 -2.499 9.141
139 HB2 ARG 22 HB2 ARG 22 17.034 -0.697 7.452
140 HB3 ARG 22 HB3 ARG 22 17.424 -1.099 9.119
141 HG2 ARG 22 HG2 ARG 22 17.109 -3.565 8.215
142 HG3 ARG 22 HG3 ARG 22 17.517 -2.787 6.685
143 HD2 ARG 22 HD2 ARG 22 19.562 -3.532 7.597
144 HD3 ARG 22 HD3 ARG 22 19.514 -1.792 7.877
145 HE ARG 22 HE ARG 22 19.455 -2.187 10.135
146 HH11 ARG 22 HH11 ARG 22 18.781 -5.145 8.427
147 HH12 ARG 22 HH12 ARG 22 18.861 -6.135 9.847
148 HH21 ARG 22 HH21 ARG 22 19.563 -3.480 12.011
149 HH22 ARG 22 HH22 ARG 22 19.305 -5.187 11.884
150 H SER 23 H SER 23 15.032 -1.418 11.027
151 HA SER 23 HA SER 23 13.468 0.985 10.974
152 HB2 SER 23 HB2 SER 23 13.804 0.764 13.543
153 HB3 SER 23 HB3 SER 23 12.854 -0.463 12.706
154 HG SER 23 HG SER 23 14.937 -0.871 14.210
155 H ASP 24 H ASP 24 16.772 0.345 10.927
156 HA ASP 24 HA ASP 24 17.748 2.500 12.491
157 HB2 ASP 24 HB2 ASP 24 18.995 0.407 11.584
158 HB3 ASP 24 HB3 ASP 24 19.231 1.376 10.133
159 H TRP 25 H TRP 25 17.582 2.127 8.945
160 HA TRP 25 HA TRP 25 17.704 5.047 8.697
161 HB2 TRP 25 HB2 TRP 25 18.465 2.770 6.946
162 HB3 TRP 25 HB3 TRP 25 17.880 4.229 6.150
163 HD1 TRP 25 HD1 TRP 25 20.474 3.478 8.957
164 HE1 TRP 25 HE1 TRP 25 22.543 4.947 8.522
165 HE3 TRP 25 HE3 TRP 25 18.860 5.935 4.774
166 HZ2 TRP 25 HZ2 TRP 25 23.379 6.890 6.654
167 HZ3 TRP 25 HZ3 TRP 25 20.355 7.583 3.724
168 HH2 TRP 25 HH2 TRP 25 22.567 8.049 4.646
169 H LYS 26 H LYS 26 15.485 2.536 8.693
170 HA LYS 26 HA LYS 26 13.265 2.413 8.214
171 HB2 LYS 26 HB2 LYS 26 13.382 5.370 7.622
172 HB3 LYS 26 HB3 LYS 26 11.981 4.429 8.119
173 HG2 LYS 26 HG2 LYS 26 13.240 3.979 10.279
174 HG3 LYS 26 HG3 LYS 26 14.352 5.251 9.764
175 HD2 LYS 26 HD2 LYS 26 12.873 6.486 11.003
176 HD3 LYS 26 HD3 LYS 26 12.111 6.597 9.415
177 HE2 LYS 26 HE2 LYS 26 11.354 4.299 11.127
178 HE3 LYS 26 HE3 LYS 26 10.776 5.891 11.618
179 HZ1 LYS 26 HZ1 LYS 26 9.955 6.121 9.260
180 HZ2 LYS 26 HZ2 LYS 26 9.127 5.008 10.227
181 HZ3 LYS 26 HZ3 LYS 26 10.245 4.464 9.080
182 H TYR 27 H TYR 27 14.861 1.596 6.209
183 HA TYR 27 HA TYR 27 13.248 2.197 3.876
184 HB2 TYR 27 HB2 TYR 27 14.951 2.970 2.472
185 HB3 TYR 27 HB3 TYR 27 15.262 3.817 3.984
186 HD1 TYR 27 HD2 TYR 27 16.727 2.038 5.630
187 HD2 TYR 27 HD1 TYR 27 16.923 2.456 1.401
188 HE1 TYR 27 HE2 TYR 27 19.023 1.157 5.655
189 HE2 TYR 27 HE1 TYR 27 19.219 1.574 1.414
190 HH TYR 27 HH TYR 27 20.563 -0.015 4.019
191 H CYS 28 H CYS 28 13.318 0.588 2.291
192 HA CYS 28 HA CYS 28 13.689 -2.021 3.144
193 HB2 CYS 28 HB2 CYS 28 13.452 -0.766 0.430
194 HB3 CYS 28 HB3 CYS 28 13.779 -2.490 0.575
195 H ALA 29 H ALA 29 15.216 -3.647 2.479
196 HA ALA 29 HA ALA 29 17.828 -2.664 1.595
197 HB1 ALA 29 HB1 ALA 29 18.315 -2.597 3.839
198 HB2 ALA 29 HB2 ALA 29 17.237 -3.939 4.225
199 HB3 ALA 29 HB3 ALA 29 18.785 -4.250 3.441
200 H TRP 30 H TRP 30 19.045 -4.146 0.469
201 HA TRP 30 HA TRP 30 17.621 -6.372 -0.639
202 HB2 TRP 30 HB2 TRP 30 20.182 -4.988 -1.143
203 HB3 TRP 30 HB3 TRP 30 20.156 -6.701 -1.555
204 HD1 TRP 30 HD1 TRP 30 19.860 -3.696 -3.326
205 HE1 TRP 30 HE1 TRP 30 18.251 -3.834 -5.330
206 HE3 TRP 30 HE3 TRP 30 17.321 -7.942 -2.038
207 HZ2 TRP 30 HZ2 TRP 30 16.180 -5.520 -6.245
208 HZ3 TRP 30 HZ3 TRP 30 15.540 -8.750 -3.531
209 HH2 TRP 30 HH2 TRP 30 14.983 -7.563 -5.591
210 H ASP 31 H ASP 31 18.684 -8.554 -0.805
211 HA ASP 31 HA ASP 31 19.267 -10.491 0.242
212 HB2 ASP 31 HB2 ASP 31 21.296 -8.813 1.721
213 HB3 ASP 31 HB3 ASP 31 21.400 -10.526 1.323
214 H GLY 32 H GLY 32 17.201 -8.848 1.480
215 HA2 GLY 32 HA2 GLY 32 15.934 -8.807 3.393
216 HA3 GLY 32 HA3 GLY 32 16.739 -10.314 3.806
217 H THR 33 H THR 33 17.035 -9.971 5.959
218 HA THR 33 HA THR 33 18.137 -7.493 6.945
219 HB THR 33 HB THR 33 18.272 -8.958 9.125
220 HG1 THR 33 HG1 THR 33 17.805 -10.969 8.445
221 HG21 THR 33 HG21 THR 33 16.341 -7.283 7.981
222 HG22 THR 33 HG22 THR 33 16.488 -7.739 9.678
223 HG23 THR 33 HG23 THR 33 15.452 -8.674 8.600
224 H PHE 34 H PHE 34 20.020 -7.660 8.544
225 HA PHE 34 HA PHE 34 22.092 -9.467 7.494
226 HB2 PHE 34 HB2 PHE 34 22.180 -6.498 7.864
227 HB3 PHE 34 HB3 PHE 34 23.657 -7.434 8.072
228 HD1 PHE 34 HD2 PHE 34 24.675 -8.588 6.193
229 HD2 PHE 34 HD1 PHE 34 21.163 -6.234 5.703
230 HE1 PHE 34 HE2 PHE 34 25.021 -8.584 3.757
231 HE2 PHE 34 HE1 PHE 34 21.503 -6.228 3.266
232 HZ PHE 34 HZ PHE 34 23.434 -7.405 2.290
233 H SER 35 H SER 35 23.797 -9.987 8.966
234 HA SER 35 HA SER 35 22.974 -10.660 11.524
235 HB2 SER 35 HB2 SER 35 24.941 -11.624 10.290
236 HB3 SER 35 HB3 SER 35 25.843 -10.165 10.701
237 HG SER 35 HG SER 35 25.114 -12.308 12.287
Start of MODEL 11
1 H1 GLU 1 H GLU 1 0.159 -1.529 -0.989
2 HA GLU 1 HA GLU 1 2.012 -0.043 -2.371
3 HB2 GLU 1 HB2 GLU 1 1.505 -0.128 0.606
4 HB3 GLU 1 HB3 GLU 1 2.465 1.110 -0.191
5 HG2 GLU 1 HG2 GLU 1 0.595 1.953 -1.353
6 HG3 GLU 1 HG3 GLU 1 -0.388 0.550 -0.937
7 H CYS 2 H CYS 2 3.875 -0.901 -3.091
8 HA CYS 2 HA CYS 2 5.788 -1.837 -1.069
9 HB2 CYS 2 HB2 CYS 2 5.496 -3.133 -3.782
10 HB3 CYS 2 HB3 CYS 2 6.513 -3.662 -2.445
11 H ARG 3 H ARG 3 7.915 -1.282 -1.425
12 HA ARG 3 HA ARG 3 8.497 0.295 -3.838
13 HB2 ARG 3 HB2 ARG 3 9.486 1.049 -1.089
14 HB3 ARG 3 HB3 ARG 3 9.612 1.985 -2.573
15 HG2 ARG 3 HG2 ARG 3 6.869 1.480 -2.140
16 HG3 ARG 3 HG3 ARG 3 7.558 2.014 -0.605
17 HD2 ARG 3 HD2 ARG 3 8.536 3.963 -1.753
18 HD3 ARG 3 HD3 ARG 3 7.779 3.436 -3.256
19 HE ARG 3 HE ARG 3 5.941 3.799 -1.066
20 HH11 ARG 3 HH11 ARG 3 7.572 5.313 -3.744
21 HH12 ARG 3 HH12 ARG 3 6.400 6.578 -3.911
22 HH21 ARG 3 HH21 ARG 3 4.392 5.460 -1.276
23 HH22 ARG 3 HH22 ARG 3 4.592 6.661 -2.506
24 H TYR 4 H TYR 4 10.963 0.734 -3.941
25 HA TYR 4 HA TYR 4 12.263 -1.858 -3.683
26 HB2 TYR 4 HB2 TYR 4 14.128 -0.468 -4.931
27 HB3 TYR 4 HB3 TYR 4 12.713 -1.059 -5.795
28 HD1 TYR 4 HD2 TYR 4 14.237 1.927 -4.240
29 HD2 TYR 4 HD1 TYR 4 11.148 0.444 -6.762
30 HE1 TYR 4 HE2 TYR 4 13.709 4.227 -4.936
31 HE2 TYR 4 HE1 TYR 4 10.613 2.740 -7.466
32 HH TYR 4 HH TYR 4 12.496 5.213 -7.258
33 H LEU 5 H LEU 5 14.851 -1.394 -3.381
34 HA LEU 5 HA LEU 5 15.254 -1.081 -0.671
35 HB2 LEU 5 HB2 LEU 5 16.812 -2.010 -2.494
36 HB3 LEU 5 HB3 LEU 5 17.362 -0.346 -2.674
37 HG LEU 5 HG LEU 5 17.470 -1.816 -0.050
38 HD11 LEU 5 HD11 LEU 5 19.330 -1.882 -2.374
39 HD12 LEU 5 HD12 LEU 5 18.888 -3.161 -1.244
40 HD13 LEU 5 HD13 LEU 5 19.997 -1.887 -0.741
41 HD21 LEU 5 HD21 LEU 5 17.676 0.472 0.341
42 HD22 LEU 5 HD22 LEU 5 18.607 0.739 -1.133
43 HD23 LEU 5 HD23 LEU 5 19.346 -0.085 0.242
44 H PHE 6 H PHE 6 15.753 1.336 -3.232
45 HA PHE 6 HA PHE 6 16.423 3.405 -1.357
46 HB2 PHE 6 HB2 PHE 6 15.768 3.531 -4.308
47 HB3 PHE 6 HB3 PHE 6 16.358 4.887 -3.353
48 HD1 PHE 6 HD2 PHE 6 18.594 4.394 -2.034
49 HD2 PHE 6 HD1 PHE 6 17.288 2.293 -5.497
50 HE1 PHE 6 HE2 PHE 6 20.912 3.703 -2.485
51 HE2 PHE 6 HE1 PHE 6 19.603 1.599 -5.954
52 HZ PHE 6 HZ PHE 6 21.419 2.303 -4.446
53 H GLY 7 H GLY 7 13.551 1.974 -2.238
54 HA2 GLY 7 HA2 GLY 7 11.718 4.014 -2.573
55 HA3 GLY 7 HA3 GLY 7 11.365 2.496 -1.761
56 H GLY 8 H GLY 8 12.182 2.402 0.572
57 HA2 GLY 8 HA2 GLY 8 12.684 3.619 2.587
58 HA3 GLY 8 HA3 GLY 8 11.958 5.043 1.858
59 H CYS 9 H CYS 9 11.494 2.553 4.022
60 HA CYS 9 HA CYS 9 8.642 3.189 4.204
61 HB2 CYS 9 HB2 CYS 9 8.254 0.709 4.736
62 HB3 CYS 9 HB3 CYS 9 8.498 1.144 3.047
63 H SER 10 H SER 10 7.792 1.916 6.298
64 HA SER 10 HA SER 10 9.704 2.581 8.439
65 HB2 SER 10 HB2 SER 10 7.561 3.943 8.252
66 HB3 SER 10 HB3 SER 10 6.698 2.479 8.724
67 HG SER 10 HG SER 10 7.232 2.887 10.703
68 H SER 11 H SER 11 7.706 0.131 7.069
69 HA SER 11 HA SER 11 8.553 -1.715 9.197
70 HB2 SER 11 HB2 SER 11 5.910 -2.093 7.829
71 HB3 SER 11 HB3 SER 11 6.445 -2.684 9.402
72 HG SER 11 HG SER 11 5.551 -0.119 8.673
73 H THR 12 H THR 12 8.529 -4.003 8.510
74 HA THR 12 HA THR 12 9.862 -4.304 6.012
75 HB THR 12 HB THR 12 9.796 -6.752 6.536
76 HG1 THR 12 HG1 THR 12 8.323 -7.368 7.914
77 HG21 THR 12 HG21 THR 12 10.826 -4.745 8.514
78 HG22 THR 12 HG22 THR 12 11.718 -5.689 7.321
79 HG23 THR 12 HG23 THR 12 11.078 -6.472 8.765
80 H SER 13 H SER 13 6.574 -4.611 7.048
81 HA SER 13 HA SER 13 5.560 -6.361 5.126
82 HB2 SER 13 HB2 SER 13 4.338 -5.434 7.138
83 HB3 SER 13 HB3 SER 13 4.095 -3.951 6.215
84 HG SER 13 HG SER 13 3.158 -6.552 5.584
85 H ASP 14 H ASP 14 6.680 -3.119 4.831
86 HA ASP 14 HA ASP 14 5.257 -2.435 2.455
87 HB2 ASP 14 HB2 ASP 14 6.679 -0.994 4.241
88 HB3 ASP 14 HB3 ASP 14 7.882 -1.159 2.965
89 H CYS 15 H CYS 15 8.415 -3.853 3.133
90 HA CYS 15 HA CYS 15 9.356 -3.799 0.457
91 HB2 CYS 15 HB2 CYS 15 10.164 -5.544 2.792
92 HB3 CYS 15 HB3 CYS 15 11.039 -5.444 1.268
93 H CYS 16 H CYS 16 8.549 -4.900 -1.191
94 HA CYS 16 HA CYS 16 7.417 -7.573 -0.681
95 HB2 CYS 16 HB2 CYS 16 6.587 -5.620 -2.837
96 HB3 CYS 16 HB3 CYS 16 5.869 -7.198 -2.528
97 H LYS 17 H LYS 17 9.853 -5.841 -2.189
98 HA LYS 17 HA LYS 17 10.196 -7.747 -4.376
99 HB2 LYS 17 HB2 LYS 17 10.609 -5.074 -4.296
100 HB3 LYS 17 HB3 LYS 17 12.229 -5.646 -3.918
101 HG2 LYS 17 HG2 LYS 17 12.414 -5.587 -6.168
102 HG3 LYS 17 HG3 LYS 17 11.735 -7.209 -6.014
103 HD2 LYS 17 HD2 LYS 17 9.576 -6.471 -6.607
104 HD3 LYS 17 HD3 LYS 17 10.005 -4.775 -6.373
105 HE2 LYS 17 HE2 LYS 17 11.493 -6.372 -8.402
106 HE3 LYS 17 HE3 LYS 17 9.860 -5.826 -8.782
107 HZ1 LYS 17 HZ1 LYS 17 10.484 -3.610 -8.643
108 HZ2 LYS 17 HZ2 LYS 17 11.810 -4.326 -9.412
109 HZ3 LYS 17 HZ3 LYS 17 11.893 -3.942 -7.767
110 H HIS 18 H HIS 18 10.479 -8.782 -1.763
111 HA HIS 18 HA HIS 18 11.844 -10.166 -0.582
112 HB2 HIS 18 HB2 HIS 18 13.860 -9.857 -2.807
113 HB3 HIS 18 HB3 HIS 18 13.690 -11.204 -1.686
114 HD1 HIS 18 HD1 HIS 18 12.096 -13.052 -2.326
115 HD2 HIS 18 HD2 HIS 18 11.826 -9.747 -4.829
116 HE1 HIS 18 HE1 HIS 18 10.630 -13.774 -4.238
117 H LEU 19 H LEU 19 11.989 -7.247 -0.303
118 HA LEU 19 HA LEU 19 14.772 -6.903 0.574
119 HB2 LEU 19 HB2 LEU 19 12.605 -4.843 0.191
120 HB3 LEU 19 HB3 LEU 19 14.273 -4.512 0.657
121 HG LEU 19 HG LEU 19 13.898 -5.964 -1.889
122 HD11 LEU 19 HD11 LEU 19 13.330 -3.014 -1.755
123 HD12 LEU 19 HD12 LEU 19 12.063 -4.238 -1.829
124 HD13 LEU 19 HD13 LEU 19 13.218 -4.084 -3.152
125 HD21 LEU 19 HD21 LEU 19 16.072 -5.143 -0.841
126 HD22 LEU 19 HD22 LEU 19 15.546 -3.523 -1.299
127 HD23 LEU 19 HD23 LEU 19 15.799 -4.752 -2.539
128 H SER 20 H SER 20 15.071 -5.647 2.612
129 HA SER 20 HA SER 20 12.993 -6.333 4.587
130 HB2 SER 20 HB2 SER 20 15.984 -6.626 4.743
131 HB3 SER 20 HB3 SER 20 15.008 -6.488 6.205
132 HG SER 20 HG SER 20 13.740 -8.268 4.975
133 H CYS 21 H CYS 21 12.121 -4.592 5.469
134 HA CYS 21 HA CYS 21 13.371 -2.010 5.245
135 HB2 CYS 21 HB2 CYS 21 10.804 -2.726 5.223
136 HB3 CYS 21 HB3 CYS 21 10.961 -2.418 6.949
137 H ARG 22 H ARG 22 14.948 -1.430 6.580
138 HA ARG 22 HA ARG 22 15.126 -2.550 9.249
139 HB2 ARG 22 HB2 ARG 22 16.917 -0.680 7.696
140 HB3 ARG 22 HB3 ARG 22 17.247 -1.191 9.346
141 HG2 ARG 22 HG2 ARG 22 17.176 -3.565 8.495
142 HG3 ARG 22 HG3 ARG 22 17.166 -2.884 6.867
143 HD2 ARG 22 HD2 ARG 22 19.419 -3.286 7.252
144 HD3 ARG 22 HD3 ARG 22 19.248 -1.576 7.646
145 HE ARG 22 HE ARG 22 18.947 -3.341 9.901
146 HH11 ARG 22 HH11 ARG 22 21.183 -1.531 7.941
147 HH12 ARG 22 HH12 ARG 22 22.389 -1.427 9.181
148 HH21 ARG 22 HH21 ARG 22 20.526 -3.211 11.542
149 HH22 ARG 22 HH22 ARG 22 22.014 -2.384 11.229
150 H SER 23 H SER 23 14.750 -1.500 11.130
151 HA SER 23 HA SER 23 13.189 0.902 11.036
152 HB2 SER 23 HB2 SER 23 12.494 -0.583 12.709
153 HB3 SER 23 HB3 SER 23 14.144 -0.908 13.239
154 HG SER 23 HG SER 23 13.925 0.656 14.607
155 H ASP 24 H ASP 24 16.451 0.363 10.936
156 HA ASP 24 HA ASP 24 17.341 2.495 12.639
157 HB2 ASP 24 HB2 ASP 24 18.937 1.250 10.406
158 HB3 ASP 24 HB3 ASP 24 19.529 1.981 11.895
159 H TRP 25 H TRP 25 17.410 2.054 9.098
160 HA TRP 25 HA TRP 25 17.557 4.968 8.801
161 HB2 TRP 25 HB2 TRP 25 18.412 2.653 7.142
162 HB3 TRP 25 HB3 TRP 25 17.889 4.102 6.287
163 HD1 TRP 25 HD1 TRP 25 20.288 3.393 9.273
164 HE1 TRP 25 HE1 TRP 25 22.394 4.836 8.942
165 HE3 TRP 25 HE3 TRP 25 18.977 5.762 4.937
166 HZ2 TRP 25 HZ2 TRP 25 23.370 6.728 7.089
167 HZ3 TRP 25 HZ3 TRP 25 20.553 7.374 3.950
168 HH2 TRP 25 HH2 TRP 25 22.703 7.846 5.006
169 H LYS 26 H LYS 26 15.351 2.426 8.650
170 HA LYS 26 HA LYS 26 13.167 2.295 8.029
171 HB2 LYS 26 HB2 LYS 26 13.283 5.254 7.460
172 HB3 LYS 26 HB3 LYS 26 11.874 4.293 7.891
173 HG2 LYS 26 HG2 LYS 26 13.079 3.854 10.103
174 HG3 LYS 26 HG3 LYS 26 14.138 5.187 9.639
175 HD2 LYS 26 HD2 LYS 26 11.892 6.454 9.234
176 HD3 LYS 26 HD3 LYS 26 11.223 5.218 10.302
177 HE2 LYS 26 HE2 LYS 26 11.785 6.909 11.780
178 HE3 LYS 26 HE3 LYS 26 13.192 5.849 11.861
179 HZ1 LYS 26 HZ1 LYS 26 12.943 8.405 10.380
180 HZ2 LYS 26 HZ2 LYS 26 14.234 7.333 10.165
181 HZ3 LYS 26 HZ3 LYS 26 13.979 8.058 11.672
182 H TYR 27 H TYR 27 14.836 1.461 6.129
183 HA TYR 27 HA TYR 27 13.405 2.128 3.697
184 HB2 TYR 27 HB2 TYR 27 15.232 2.842 2.415
185 HB3 TYR 27 HB3 TYR 27 15.441 3.692 3.943
186 HD1 TYR 27 HD2 TYR 27 16.755 1.949 5.716
187 HD2 TYR 27 HD1 TYR 27 17.249 2.223 1.499
188 HE1 TYR 27 HE2 TYR 27 19.022 1.020 5.927
189 HE2 TYR 27 HE1 TYR 27 19.517 1.293 1.698
190 HH TYR 27 HH TYR 27 21.300 1.160 3.496
191 H CYS 28 H CYS 28 13.383 0.478 2.212
192 HA CYS 28 HA CYS 28 13.731 -2.127 3.071
193 HB2 CYS 28 HB2 CYS 28 13.450 -0.863 0.374
194 HB3 CYS 28 HB3 CYS 28 13.840 -2.577 0.476
195 H ALA 29 H ALA 29 15.250 -3.761 2.532
196 HA ALA 29 HA ALA 29 17.879 -2.811 1.630
197 HB1 ALA 29 HB1 ALA 29 18.111 -4.832 3.693
198 HB2 ALA 29 HB2 ALA 29 18.913 -3.267 3.548
199 HB3 ALA 29 HB3 ALA 29 17.312 -3.374 4.280
200 H TRP 30 H TRP 30 19.052 -4.250 0.427
201 HA TRP 30 HA TRP 30 17.610 -6.427 -0.746
202 HB2 TRP 30 HB2 TRP 30 20.183 -5.051 -1.208
203 HB3 TRP 30 HB3 TRP 30 20.140 -6.748 -1.678
204 HD1 TRP 30 HD1 TRP 30 19.868 -3.681 -3.344
205 HE1 TRP 30 HE1 TRP 30 18.256 -3.737 -5.349
206 HE3 TRP 30 HE3 TRP 30 17.295 -7.948 -2.198
207 HZ2 TRP 30 HZ2 TRP 30 16.169 -5.372 -6.317
208 HZ3 TRP 30 HZ3 TRP 30 15.505 -8.689 -3.716
209 HH2 TRP 30 HH2 TRP 30 14.955 -7.426 -5.732
210 H ASP 31 H ASP 31 18.652 -8.613 -0.989
211 HA ASP 31 HA ASP 31 19.214 -10.590 -0.008
212 HB2 ASP 31 HB2 ASP 31 21.270 -9.004 1.530
213 HB3 ASP 31 HB3 ASP 31 21.355 -10.692 1.033
214 H GLY 32 H GLY 32 17.125 -9.092 1.258
215 HA2 GLY 32 HA2 GLY 32 15.841 -9.171 3.159
216 HA3 GLY 32 HA3 GLY 32 16.789 -10.580 3.610
217 H THR 33 H THR 33 16.823 -10.022 5.792
218 HA THR 33 HA THR 33 17.845 -7.462 6.637
219 HB THR 33 HB THR 33 17.560 -9.823 8.468
220 HG1 THR 33 HG1 THR 33 15.568 -9.925 7.676
221 HG21 THR 33 HG21 THR 33 18.115 -8.188 9.898
222 HG22 THR 33 HG22 THR 33 16.480 -7.577 9.643
223 HG23 THR 33 HG23 THR 33 17.822 -6.928 8.700
224 H PHE 34 H PHE 34 19.784 -7.094 7.763
225 HA PHE 34 HA PHE 34 21.879 -9.085 7.203
226 HB2 PHE 34 HB2 PHE 34 21.996 -6.079 7.447
227 HB3 PHE 34 HB3 PHE 34 23.438 -7.089 7.440
228 HD1 PHE 34 HD2 PHE 34 23.285 -8.941 5.421
229 HD2 PHE 34 HD1 PHE 34 21.546 -5.056 5.457
230 HE1 PHE 34 HE2 PHE 34 23.290 -8.920 2.961
231 HE2 PHE 34 HE1 PHE 34 21.548 -5.029 2.997
232 HZ PHE 34 HZ PHE 34 22.419 -6.963 1.745
233 H SER 35 H SER 35 22.697 -10.129 8.881
234 HA SER 35 HA SER 35 22.798 -8.777 11.490
235 HB2 SER 35 HB2 SER 35 20.868 -10.329 11.460
236 HB3 SER 35 HB3 SER 35 21.959 -11.656 11.061
237 HG SER 35 HG SER 35 21.435 -11.415 13.342
Start of MODEL 12
1 H1 GLU 1 H GLU 1 1.808 0.001 0.855
2 HA GLU 1 HA GLU 1 1.549 -0.592 -1.965
3 HB2 GLU 1 HB2 GLU 1 2.490 2.080 -0.956
4 HB3 GLU 1 HB3 GLU 1 3.046 1.444 -2.497
5 HG2 GLU 1 HG2 GLU 1 1.234 2.867 -2.975
6 HG3 GLU 1 HG3 GLU 1 0.633 1.220 -3.157
7 H CYS 2 H CYS 2 3.757 -0.718 -3.011
8 HA CYS 2 HA CYS 2 5.767 -1.587 -1.038
9 HB2 CYS 2 HB2 CYS 2 5.368 -2.828 -3.762
10 HB3 CYS 2 HB3 CYS 2 6.386 -3.417 -2.451
11 H ARG 3 H ARG 3 7.926 -1.172 -1.502
12 HA ARG 3 HA ARG 3 8.502 0.408 -3.905
13 HB2 ARG 3 HB2 ARG 3 9.595 1.212 -1.219
14 HB3 ARG 3 HB3 ARG 3 9.580 2.136 -2.716
15 HG2 ARG 3 HG2 ARG 3 6.923 1.762 -2.296
16 HG3 ARG 3 HG3 ARG 3 7.532 1.871 -0.643
17 HD2 ARG 3 HD2 ARG 3 8.806 3.949 -1.495
18 HD3 ARG 3 HD3 ARG 3 7.675 3.896 -2.847
19 HE ARG 3 HE ARG 3 7.123 4.752 -0.175
20 HH11 ARG 3 HH11 ARG 3 5.732 3.313 -3.023
21 HH12 ARG 3 HH12 ARG 3 4.123 3.844 -2.665
22 HH21 ARG 3 HH21 ARG 3 5.009 5.457 0.308
23 HH22 ARG 3 HH22 ARG 3 3.712 5.065 -0.770
24 H TYR 4 H TYR 4 10.977 0.802 -4.023
25 HA TYR 4 HA TYR 4 12.232 -1.808 -3.714
26 HB2 TYR 4 HB2 TYR 4 14.111 -0.484 -5.012
27 HB3 TYR 4 HB3 TYR 4 12.679 -1.071 -5.849
28 HD1 TYR 4 HD2 TYR 4 14.329 1.914 -4.456
29 HD2 TYR 4 HD1 TYR 4 11.073 0.447 -6.769
30 HE1 TYR 4 HE2 TYR 4 13.839 4.204 -5.207
31 HE2 TYR 4 HE1 TYR 4 10.574 2.733 -7.527
32 HH TYR 4 HH TYR 4 10.954 4.985 -6.962
33 H LEU 5 H LEU 5 14.828 -1.385 -3.440
34 HA LEU 5 HA LEU 5 15.261 -1.014 -0.745
35 HB2 LEU 5 HB2 LEU 5 16.788 -1.982 -2.594
36 HB3 LEU 5 HB3 LEU 5 17.376 -0.328 -2.753
37 HG LEU 5 HG LEU 5 17.444 -1.841 -0.151
38 HD11 LEU 5 HD11 LEU 5 20.000 -1.857 -0.903
39 HD12 LEU 5 HD12 LEU 5 19.247 -1.969 -2.494
40 HD13 LEU 5 HD13 LEU 5 18.892 -3.182 -1.265
41 HD21 LEU 5 HD21 LEU 5 19.358 -0.139 0.160
42 HD22 LEU 5 HD22 LEU 5 17.693 0.422 0.308
43 HD23 LEU 5 HD23 LEU 5 18.598 0.726 -1.176
44 H PHE 6 H PHE 6 15.769 1.343 -3.360
45 HA PHE 6 HA PHE 6 16.477 3.442 -1.532
46 HB2 PHE 6 HB2 PHE 6 15.796 3.532 -4.478
47 HB3 PHE 6 HB3 PHE 6 16.439 4.882 -3.550
48 HD1 PHE 6 HD2 PHE 6 18.749 4.880 -2.788
49 HD2 PHE 6 HD1 PHE 6 17.190 1.692 -5.138
50 HE1 PHE 6 HE2 PHE 6 21.039 4.115 -3.263
51 HE2 PHE 6 HE1 PHE 6 19.477 0.921 -5.616
52 HZ PHE 6 HZ PHE 6 21.405 2.133 -4.679
53 H GLY 7 H GLY 7 13.572 2.055 -2.477
54 HA2 GLY 7 HA2 GLY 7 11.792 4.146 -2.779
55 HA3 GLY 7 HA3 GLY 7 11.390 2.612 -2.021
56 H GLY 8 H GLY 8 12.164 2.427 0.321
57 HA2 GLY 8 HA2 GLY 8 12.683 3.600 2.370
58 HA3 GLY 8 HA3 GLY 8 11.937 5.034 1.680
59 H CYS 9 H CYS 9 11.512 2.962 4.052
60 HA CYS 9 HA CYS 9 8.653 3.386 4.136
61 HB2 CYS 9 HB2 CYS 9 8.282 0.909 4.682
62 HB3 CYS 9 HB3 CYS 9 8.526 1.332 2.990
63 H SER 10 H SER 10 7.820 2.126 6.242
64 HA SER 10 HA SER 10 9.739 2.809 8.370
65 HB2 SER 10 HB2 SER 10 7.682 3.122 9.799
66 HB3 SER 10 HB3 SER 10 7.848 4.281 8.481
67 HG SER 10 HG SER 10 6.046 2.156 8.775
68 H SER 11 H SER 11 7.704 0.359 7.041
69 HA SER 11 HA SER 11 8.575 -1.478 9.168
70 HB2 SER 11 HB2 SER 11 6.166 -0.872 9.444
71 HB3 SER 11 HB3 SER 11 5.854 -1.544 7.843
72 HG SER 11 HG SER 11 6.805 -2.916 10.136
73 H THR 12 H THR 12 8.516 -3.774 8.495
74 HA THR 12 HA THR 12 9.828 -4.103 5.992
75 HB THR 12 HB THR 12 9.879 -6.490 6.519
76 HG1 THR 12 HG1 THR 12 8.309 -7.268 7.691
77 HG21 THR 12 HG21 THR 12 11.651 -5.730 7.681
78 HG22 THR 12 HG22 THR 12 10.647 -6.032 9.099
79 HG23 THR 12 HG23 THR 12 10.731 -4.412 8.406
80 H SER 13 H SER 13 6.542 -4.353 7.042
81 HA SER 13 HA SER 13 5.494 -6.097 5.131
82 HB2 SER 13 HB2 SER 13 4.403 -4.856 7.207
83 HB3 SER 13 HB3 SER 13 3.890 -3.718 5.962
84 HG SER 13 HG SER 13 2.435 -5.541 6.437
85 H ASP 14 H ASP 14 6.661 -2.875 4.820
86 HA ASP 14 HA ASP 14 5.235 -2.174 2.452
87 HB2 ASP 14 HB2 ASP 14 7.723 -1.076 3.758
88 HB3 ASP 14 HB3 ASP 14 7.076 -0.420 2.256
89 H CYS 15 H CYS 15 8.392 -3.612 3.110
90 HA CYS 15 HA CYS 15 9.309 -3.589 0.429
91 HB2 CYS 15 HB2 CYS 15 10.109 -5.345 2.759
92 HB3 CYS 15 HB3 CYS 15 10.978 -5.248 1.231
93 H CYS 16 H CYS 16 8.409 -4.651 -1.199
94 HA CYS 16 HA CYS 16 7.298 -7.332 -0.684
95 HB2 CYS 16 HB2 CYS 16 6.392 -5.381 -2.810
96 HB3 CYS 16 HB3 CYS 16 5.666 -6.940 -2.434
97 H LYS 17 H LYS 17 9.680 -5.581 -2.252
98 HA LYS 17 HA LYS 17 9.945 -7.455 -4.476
99 HB2 LYS 17 HB2 LYS 17 11.233 -4.834 -3.779
100 HB3 LYS 17 HB3 LYS 17 11.970 -5.898 -4.969
101 HG2 LYS 17 HG2 LYS 17 9.100 -5.082 -5.202
102 HG3 LYS 17 HG3 LYS 17 10.400 -4.038 -5.783
103 HD2 LYS 17 HD2 LYS 17 10.378 -6.906 -6.600
104 HD3 LYS 17 HD3 LYS 17 9.251 -5.790 -7.375
105 HE2 LYS 17 HE2 LYS 17 11.067 -4.381 -8.094
106 HE3 LYS 17 HE3 LYS 17 12.229 -5.353 -7.192
107 HZ1 LYS 17 HZ1 LYS 17 11.169 -5.773 -9.803
108 HZ2 LYS 17 HZ2 LYS 17 10.941 -7.134 -8.826
109 HZ3 LYS 17 HZ3 LYS 17 12.496 -6.507 -9.053
110 H HIS 18 H HIS 18 10.319 -8.521 -1.886
111 HA HIS 18 HA HIS 18 11.726 -9.912 -0.762
112 HB2 HIS 18 HB2 HIS 18 12.275 -10.449 -3.287
113 HB3 HIS 18 HB3 HIS 18 13.810 -9.681 -2.894
114 HD1 HIS 18 HD1 HIS 18 15.188 -11.819 -3.033
115 HD2 HIS 18 HD2 HIS 18 12.042 -12.057 -0.330
116 HE1 HIS 18 HE1 HIS 18 15.583 -13.931 -1.726
117 H LEU 19 H LEU 19 11.819 -7.216 -0.103
118 HA LEU 19 HA LEU 19 14.664 -6.856 0.577
119 HB2 LEU 19 HB2 LEU 19 12.584 -4.711 0.179
120 HB3 LEU 19 HB3 LEU 19 14.270 -4.450 0.620
121 HG LEU 19 HG LEU 19 13.829 -5.923 -1.895
122 HD11 LEU 19 HD11 LEU 19 12.049 -4.046 -1.716
123 HD12 LEU 19 HD12 LEU 19 13.024 -4.180 -3.179
124 HD13 LEU 19 HD13 LEU 19 13.419 -2.963 -1.965
125 HD21 LEU 19 HD21 LEU 19 15.750 -4.784 -2.578
126 HD22 LEU 19 HD22 LEU 19 16.021 -5.090 -0.862
127 HD23 LEU 19 HD23 LEU 19 15.513 -3.489 -1.404
128 H SER 20 H SER 20 14.998 -5.567 2.597
129 HA SER 20 HA SER 20 12.903 -6.176 4.579
130 HB2 SER 20 HB2 SER 20 15.869 -6.594 4.687
131 HB3 SER 20 HB3 SER 20 14.983 -6.277 6.179
132 HG SER 20 HG SER 20 14.955 -8.456 5.931
133 H CYS 21 H CYS 21 12.067 -4.414 5.454
134 HA CYS 21 HA CYS 21 13.342 -1.851 5.171
135 HB2 CYS 21 HB2 CYS 21 10.772 -2.526 5.194
136 HB3 CYS 21 HB3 CYS 21 10.954 -2.223 6.919
137 H ARG 22 H ARG 22 14.930 -1.236 6.474
138 HA ARG 22 HA ARG 22 15.178 -2.337 9.143
139 HB2 ARG 22 HB2 ARG 22 16.901 -0.539 7.452
140 HB3 ARG 22 HB3 ARG 22 17.253 -0.815 9.153
141 HG2 ARG 22 HG2 ARG 22 17.065 -3.343 8.418
142 HG3 ARG 22 HG3 ARG 22 17.473 -2.661 6.842
143 HD2 ARG 22 HD2 ARG 22 19.578 -3.030 7.625
144 HD3 ARG 22 HD3 ARG 22 19.317 -1.415 8.284
145 HE ARG 22 HE ARG 22 18.430 -3.308 10.152
146 HH11 ARG 22 HH11 ARG 22 21.383 -2.155 8.715
147 HH12 ARG 22 HH12 ARG 22 22.358 -2.540 10.094
148 HH21 ARG 22 HH21 ARG 22 19.703 -3.820 11.974
149 HH22 ARG 22 HH22 ARG 22 21.401 -3.488 11.947
150 H SER 23 H SER 23 14.786 -1.301 11.022
151 HA SER 23 HA SER 23 13.211 1.093 10.946
152 HB2 SER 23 HB2 SER 23 13.468 0.811 13.536
153 HB3 SER 23 HB3 SER 23 12.507 -0.355 12.627
154 HG SER 23 HG SER 23 14.800 -0.727 14.038
155 H ASP 24 H ASP 24 16.474 0.574 10.828
156 HA ASP 24 HA ASP 24 17.363 2.699 12.539
157 HB2 ASP 24 HB2 ASP 24 18.988 1.547 10.288
158 HB3 ASP 24 HB3 ASP 24 19.537 2.166 11.843
159 H TRP 25 H TRP 25 17.413 2.284 8.994
160 HA TRP 25 HA TRP 25 17.523 5.204 8.722
161 HB2 TRP 25 HB2 TRP 25 18.416 2.917 7.039
162 HB3 TRP 25 HB3 TRP 25 17.890 4.377 6.205
163 HD1 TRP 25 HD1 TRP 25 20.135 3.869 9.345
164 HE1 TRP 25 HE1 TRP 25 22.286 5.239 9.000
165 HE3 TRP 25 HE3 TRP 25 19.165 5.740 4.688
166 HZ2 TRP 25 HZ2 TRP 25 23.421 6.895 7.015
167 HZ3 TRP 25 HZ3 TRP 25 20.835 7.210 3.636
168 HH2 TRP 25 HH2 TRP 25 22.918 7.774 4.777
169 H LYS 26 H LYS 26 15.340 2.665 8.601
170 HA LYS 26 HA LYS 26 13.159 2.508 7.976
171 HB2 LYS 26 HB2 LYS 26 13.274 5.455 7.341
172 HB3 LYS 26 HB3 LYS 26 11.860 4.502 7.773
173 HG2 LYS 26 HG2 LYS 26 13.026 4.108 10.009
174 HG3 LYS 26 HG3 LYS 26 14.105 5.421 9.534
175 HD2 LYS 26 HD2 LYS 26 12.436 7.007 9.634
176 HD3 LYS 26 HD3 LYS 26 11.152 5.826 9.366
177 HE2 LYS 26 HE2 LYS 26 11.325 5.013 11.593
178 HE3 LYS 26 HE3 LYS 26 12.817 5.910 11.873
179 HZ1 LYS 26 HZ1 LYS 26 11.701 7.786 12.314
180 HZ2 LYS 26 HZ2 LYS 26 10.389 6.760 12.605
181 HZ3 LYS 26 HZ3 LYS 26 10.545 7.529 11.106
182 H TYR 27 H TYR 27 14.758 1.576 6.110
183 HA TYR 27 HA TYR 27 13.373 2.239 3.651
184 HB2 TYR 27 HB2 TYR 27 15.249 2.818 2.360
185 HB3 TYR 27 HB3 TYR 27 15.460 3.725 3.854
186 HD1 TYR 27 HD2 TYR 27 16.705 2.074 5.727
187 HD2 TYR 27 HD1 TYR 27 17.232 2.031 1.506
188 HE1 TYR 27 HE2 TYR 27 18.935 1.078 6.022
189 HE2 TYR 27 HE1 TYR 27 19.463 1.033 1.788
190 HH TYR 27 HH TYR 27 20.490 -0.447 4.448
191 H CYS 28 H CYS 28 13.604 0.633 2.014
192 HA CYS 28 HA CYS 28 13.750 -2.003 3.012
193 HB2 CYS 28 HB2 CYS 28 13.492 -0.791 0.286
194 HB3 CYS 28 HB3 CYS 28 13.812 -2.516 0.435
195 H ALA 29 H ALA 29 15.223 -3.686 2.480
196 HA ALA 29 HA ALA 29 17.866 -2.813 1.543
197 HB1 ALA 29 HB1 ALA 29 17.316 -4.387 4.053
198 HB2 ALA 29 HB2 ALA 29 18.913 -4.206 3.324
199 HB3 ALA 29 HB3 ALA 29 18.054 -2.789 3.929
200 H TRP 30 H TRP 30 18.991 -4.299 0.351
201 HA TRP 30 HA TRP 30 17.493 -6.445 -0.793
202 HB2 TRP 30 HB2 TRP 30 20.125 -5.178 -1.239
203 HB3 TRP 30 HB3 TRP 30 20.020 -6.879 -1.686
204 HD1 TRP 30 HD1 TRP 30 19.892 -3.827 -3.397
205 HE1 TRP 30 HE1 TRP 30 18.305 -3.847 -5.423
206 HE3 TRP 30 HE3 TRP 30 17.137 -7.972 -2.229
207 HZ2 TRP 30 HZ2 TRP 30 16.168 -5.413 -6.397
208 HZ3 TRP 30 HZ3 TRP 30 15.340 -8.664 -3.761
209 HH2 TRP 30 HH2 TRP 30 14.866 -7.409 -5.801
210 H ASP 31 H ASP 31 18.451 -8.673 -0.992
211 HA ASP 31 HA ASP 31 18.904 -10.657 0.034
212 HB2 ASP 31 HB2 ASP 31 21.042 -9.129 1.522
213 HB3 ASP 31 HB3 ASP 31 21.040 -10.837 1.091
214 H GLY 32 H GLY 32 16.929 -8.953 1.296
215 HA2 GLY 32 HA2 GLY 32 15.683 -8.856 3.221
216 HA3 GLY 32 HA3 GLY 32 16.415 -10.404 3.616
217 H THR 33 H THR 33 16.900 -10.201 5.723
218 HA THR 33 HA THR 33 18.017 -7.754 6.781
219 HB THR 33 HB THR 33 18.218 -9.236 8.903
220 HG1 THR 33 HG1 THR 33 17.336 -11.183 8.806
221 HG21 THR 33 HG21 THR 33 15.365 -9.110 8.271
222 HG22 THR 33 HG22 THR 33 16.236 -7.619 7.911
223 HG23 THR 33 HG23 THR 33 16.281 -8.296 9.538
224 H PHE 34 H PHE 34 19.996 -7.848 8.163
225 HA PHE 34 HA PHE 34 22.030 -9.592 6.936
226 HB2 PHE 34 HB2 PHE 34 22.246 -6.720 7.843
227 HB3 PHE 34 HB3 PHE 34 23.647 -7.719 7.470
228 HD1 PHE 34 HD2 PHE 34 23.424 -8.966 5.103
229 HD2 PHE 34 HD1 PHE 34 21.497 -5.330 6.190
230 HE1 PHE 34 HE2 PHE 34 23.218 -8.368 2.726
231 HE2 PHE 34 HE1 PHE 34 21.287 -4.727 3.814
232 HZ PHE 34 HZ PHE 34 22.150 -6.246 2.078
233 H SER 35 H SER 35 23.700 -10.373 8.267
234 HA SER 35 HA SER 35 23.211 -10.119 11.161
235 HB2 SER 35 HB2 SER 35 22.427 -12.315 10.277
236 HB3 SER 35 HB3 SER 35 24.071 -12.645 9.730
237 HG SER 35 HG SER 35 23.417 -13.494 11.867
Start of MODEL 13
1 H1 GLU 1 H GLU 1 2.291 0.720 0.438
2 HA GLU 1 HA GLU 1 1.656 -0.988 -1.810
3 HB2 GLU 1 HB2 GLU 1 2.848 0.552 -3.420
4 HB3 GLU 1 HB3 GLU 1 1.254 1.082 -2.901
5 HG2 GLU 1 HG2 GLU 1 2.098 2.793 -1.601
6 HG3 GLU 1 HG3 GLU 1 3.688 2.045 -1.467
7 H CYS 2 H CYS 2 3.697 -1.567 -3.035
8 HA CYS 2 HA CYS 2 5.837 -1.976 -1.081
9 HB2 CYS 2 HB2 CYS 2 5.525 -3.284 -3.787
10 HB3 CYS 2 HB3 CYS 2 6.575 -3.794 -2.469
11 H ARG 3 H ARG 3 7.999 -1.513 -1.529
12 HA ARG 3 HA ARG 3 8.546 0.080 -3.931
13 HB2 ARG 3 HB2 ARG 3 9.603 0.916 -1.241
14 HB3 ARG 3 HB3 ARG 3 9.561 1.840 -2.736
15 HG2 ARG 3 HG2 ARG 3 6.916 1.376 -2.316
16 HG3 ARG 3 HG3 ARG 3 7.523 1.512 -0.664
17 HD2 ARG 3 HD2 ARG 3 8.743 3.622 -1.583
18 HD3 ARG 3 HD3 ARG 3 7.535 3.534 -2.865
19 HE ARG 3 HE ARG 3 6.201 3.363 -0.423
20 HH11 ARG 3 HH11 ARG 3 8.103 5.659 -2.222
21 HH12 ARG 3 HH12 ARG 3 7.316 7.043 -1.538
22 HH21 ARG 3 HH21 ARG 3 5.158 5.178 0.484
23 HH22 ARG 3 HH22 ARG 3 5.642 6.768 0.001
24 H TYR 4 H TYR 4 11.011 0.546 -4.031
25 HA TYR 4 HA TYR 4 12.338 -2.027 -3.713
26 HB2 TYR 4 HB2 TYR 4 14.186 -0.650 -5.000
27 HB3 TYR 4 HB3 TYR 4 12.777 -1.279 -5.846
28 HD1 TYR 4 HD2 TYR 4 14.332 1.754 -4.446
29 HD2 TYR 4 HD1 TYR 4 11.133 0.191 -6.777
30 HE1 TYR 4 HE2 TYR 4 13.779 4.028 -5.202
31 HE2 TYR 4 HE1 TYR 4 10.573 2.461 -7.540
32 HH TYR 4 HH TYR 4 12.627 5.192 -6.848
33 H LEU 5 H LEU 5 14.919 -1.528 -3.424
34 HA LEU 5 HA LEU 5 15.326 -1.144 -0.727
35 HB2 LEU 5 HB2 LEU 5 16.893 -2.069 -2.561
36 HB3 LEU 5 HB3 LEU 5 17.427 -0.398 -2.728
37 HG LEU 5 HG LEU 5 17.539 -1.902 -0.121
38 HD11 LEU 5 HD11 LEU 5 19.019 -3.185 -1.288
39 HD12 LEU 5 HD12 LEU 5 20.084 -1.861 -0.816
40 HD13 LEU 5 HD13 LEU 5 19.397 -1.903 -2.440
41 HD21 LEU 5 HD21 LEU 5 17.676 0.388 0.309
42 HD22 LEU 5 HD22 LEU 5 18.630 0.700 -1.141
43 HD23 LEU 5 HD23 LEU 5 19.360 -0.131 0.233
44 H PHE 6 H PHE 6 15.780 1.228 -3.338
45 HA PHE 6 HA PHE 6 16.410 3.346 -1.504
46 HB2 PHE 6 HB2 PHE 6 15.711 3.482 -4.445
47 HB3 PHE 6 HB3 PHE 6 16.422 4.780 -3.491
48 HD1 PHE 6 HD2 PHE 6 18.728 4.490 -2.566
49 HD2 PHE 6 HD1 PHE 6 17.044 1.802 -5.404
50 HE1 PHE 6 HE2 PHE 6 20.979 3.662 -3.112
51 HE2 PHE 6 HE1 PHE 6 19.292 0.969 -5.954
52 HZ PHE 6 HZ PHE 6 21.264 1.898 -4.807
53 H GLY 7 H GLY 7 13.557 1.872 -2.470
54 HA2 GLY 7 HA2 GLY 7 11.720 3.913 -2.789
55 HA3 GLY 7 HA3 GLY 7 11.355 2.365 -2.041
56 H GLY 8 H GLY 8 12.108 2.193 0.309
57 HA2 GLY 8 HA2 GLY 8 12.572 3.373 2.367
58 HA3 GLY 8 HA3 GLY 8 11.791 4.787 1.675
59 H CYS 9 H CYS 9 11.396 2.768 4.065
60 HA CYS 9 HA CYS 9 8.528 3.081 4.107
61 HB2 CYS 9 HB2 CYS 9 8.232 0.591 4.659
62 HB3 CYS 9 HB3 CYS 9 8.464 1.023 2.968
63 H SER 10 H SER 10 7.710 1.799 6.206
64 HA SER 10 HA SER 10 9.579 2.558 8.354
65 HB2 SER 10 HB2 SER 10 7.617 3.938 8.442
66 HB3 SER 10 HB3 SER 10 6.555 2.539 8.284
67 HG SER 10 HG SER 10 6.992 3.507 10.482
68 H SER 11 H SER 11 7.671 0.015 7.007
69 HA SER 11 HA SER 11 8.619 -1.782 9.133
70 HB2 SER 11 HB2 SER 11 5.876 -1.849 7.850
71 HB3 SER 11 HB3 SER 11 6.494 -3.028 9.008
72 HG SER 11 HG SER 11 5.589 -0.439 9.414
73 H THR 12 H THR 12 8.631 -4.085 8.455
74 HA THR 12 HA THR 12 9.957 -4.358 5.951
75 HB THR 12 HB THR 12 9.900 -6.824 6.482
76 HG1 THR 12 HG1 THR 12 8.760 -7.507 8.148
77 HG21 THR 12 HG21 THR 12 11.859 -6.293 7.403
78 HG22 THR 12 HG22 THR 12 11.026 -6.053 8.939
79 HG23 THR 12 HG23 THR 12 11.264 -4.693 7.843
80 H SER 13 H SER 13 6.680 -4.712 6.992
81 HA SER 13 HA SER 13 5.687 -6.493 5.090
82 HB2 SER 13 HB2 SER 13 4.342 -5.772 6.985
83 HB3 SER 13 HB3 SER 13 4.325 -4.116 6.380
84 HG SER 13 HG SER 13 2.544 -4.761 5.454
85 H ASP 14 H ASP 14 6.754 -3.234 4.763
86 HA ASP 14 HA ASP 14 5.325 -2.601 2.378
87 HB2 ASP 14 HB2 ASP 14 7.590 -1.392 3.899
88 HB3 ASP 14 HB3 ASP 14 7.352 -0.892 2.227
89 H CYS 15 H CYS 15 8.523 -3.926 3.072
90 HA CYS 15 HA CYS 15 9.467 -3.890 0.402
91 HB2 CYS 15 HB2 CYS 15 10.288 -5.618 2.747
92 HB3 CYS 15 HB3 CYS 15 11.171 -5.501 1.228
93 H CYS 16 H CYS 16 8.635 -4.988 -1.237
94 HA CYS 16 HA CYS 16 7.573 -7.690 -0.725
95 HB2 CYS 16 HB2 CYS 16 6.674 -5.747 -2.863
96 HB3 CYS 16 HB3 CYS 16 5.995 -7.341 -2.551
97 H LYS 17 H LYS 17 9.946 -5.893 -2.263
98 HA LYS 17 HA LYS 17 10.308 -7.788 -4.456
99 HB2 LYS 17 HB2 LYS 17 11.491 -5.118 -3.770
100 HB3 LYS 17 HB3 LYS 17 12.311 -6.177 -4.910
101 HG2 LYS 17 HG2 LYS 17 10.989 -4.692 -6.183
102 HG3 LYS 17 HG3 LYS 17 10.172 -6.256 -6.222
103 HD2 LYS 17 HD2 LYS 17 9.289 -4.666 -3.975
104 HD3 LYS 17 HD3 LYS 17 9.070 -3.800 -5.498
105 HE2 LYS 17 HE2 LYS 17 8.147 -6.208 -6.224
106 HE3 LYS 17 HE3 LYS 17 7.772 -6.266 -4.502
107 HZ1 LYS 17 HZ1 LYS 17 5.905 -5.249 -5.217
108 HZ2 LYS 17 HZ2 LYS 17 6.634 -4.593 -6.595
109 HZ3 LYS 17 HZ3 LYS 17 6.857 -3.857 -5.089
110 H HIS 18 H HIS 18 10.656 -8.807 -1.841
111 HA HIS 18 HA HIS 18 12.076 -10.141 -0.666
112 HB2 HIS 18 HB2 HIS 18 14.023 -9.837 -2.951
113 HB3 HIS 18 HB3 HIS 18 13.909 -11.167 -1.803
114 HD1 HIS 18 HD1 HIS 18 13.624 -11.183 -5.054
115 HD2 HIS 18 HD2 HIS 18 10.631 -11.677 -2.214
116 HE1 HIS 18 HE1 HIS 18 11.787 -12.440 -6.224
117 H LEU 19 H LEU 19 12.099 -7.415 -0.080
118 HA LEU 19 HA LEU 19 14.924 -6.970 0.631
119 HB2 LEU 19 HB2 LEU 19 12.769 -4.907 0.197
120 HB3 LEU 19 HB3 LEU 19 14.435 -4.575 0.665
121 HG LEU 19 HG LEU 19 14.098 -6.080 -1.847
122 HD11 LEU 19 HD11 LEU 19 13.571 -3.141 -1.946
123 HD12 LEU 19 HD12 LEU 19 12.241 -4.274 -1.710
124 HD13 LEU 19 HD13 LEU 19 13.244 -4.381 -3.156
125 HD21 LEU 19 HD21 LEU 19 15.673 -3.577 -1.343
126 HD22 LEU 19 HD22 LEU 19 15.983 -4.867 -2.505
127 HD23 LEU 19 HD23 LEU 19 16.236 -5.152 -0.783
128 H SER 20 H SER 20 15.213 -5.667 2.645
129 HA SER 20 HA SER 20 13.132 -6.333 4.625
130 HB2 SER 20 HB2 SER 20 16.124 -6.583 4.782
131 HB3 SER 20 HB3 SER 20 15.164 -6.387 6.248
132 HG SER 20 HG SER 20 14.748 -8.429 6.107
133 H CYS 21 H CYS 21 12.215 -4.586 5.447
134 HA CYS 21 HA CYS 21 13.395 -1.983 5.158
135 HB2 CYS 21 HB2 CYS 21 10.855 -2.752 5.176
136 HB3 CYS 21 HB3 CYS 21 11.017 -2.439 6.902
137 H ARG 22 H ARG 22 15.030 -1.411 6.437
138 HA ARG 22 HA ARG 22 15.323 -2.455 9.104
139 HB2 ARG 22 HB2 ARG 22 16.905 -0.294 7.699
140 HB3 ARG 22 HB3 ARG 22 17.368 -1.122 9.180
141 HG2 ARG 22 HG2 ARG 22 16.829 -2.825 6.828
142 HG3 ARG 22 HG3 ARG 22 18.277 -1.817 6.772
143 HD2 ARG 22 HD2 ARG 22 17.746 -3.376 9.246
144 HD3 ARG 22 HD3 ARG 22 18.302 -4.249 7.819
145 HE ARG 22 HE ARG 22 19.988 -2.070 8.146
146 HH11 ARG 22 HH11 ARG 22 19.114 -4.952 9.893
147 HH12 ARG 22 HH12 ARG 22 20.656 -5.107 10.668
148 HH21 ARG 22 HH21 ARG 22 22.022 -2.264 9.160
149 HH22 ARG 22 HH22 ARG 22 22.309 -3.577 10.251
150 H SER 23 H SER 23 14.840 -1.491 10.995
151 HA SER 23 HA SER 23 13.123 0.805 10.959
152 HB2 SER 23 HB2 SER 23 12.865 -1.143 12.533
153 HB3 SER 23 HB3 SER 23 14.307 -0.578 13.375
154 HG SER 23 HG SER 23 11.773 0.632 13.180
155 H ASP 24 H ASP 24 16.410 0.489 10.851
156 HA ASP 24 HA ASP 24 17.131 2.651 12.610
157 HB2 ASP 24 HB2 ASP 24 18.601 0.912 10.662
158 HB3 ASP 24 HB3 ASP 24 19.357 2.393 11.245
159 H TRP 25 H TRP 25 17.327 2.221 9.071
160 HA TRP 25 HA TRP 25 17.331 5.136 8.774
161 HB2 TRP 25 HB2 TRP 25 18.249 2.856 7.080
162 HB3 TRP 25 HB3 TRP 25 17.753 4.343 6.277
163 HD1 TRP 25 HD1 TRP 25 19.946 3.732 9.434
164 HE1 TRP 25 HE1 TRP 25 22.119 5.081 9.150
165 HE3 TRP 25 HE3 TRP 25 19.067 5.723 4.808
166 HZ2 TRP 25 HZ2 TRP 25 23.304 6.767 7.221
167 HZ3 TRP 25 HZ3 TRP 25 20.770 7.194 3.815
168 HH2 TRP 25 HH2 TRP 25 22.844 7.705 4.998
169 H LYS 26 H LYS 26 15.220 2.531 8.645
170 HA LYS 26 HA LYS 26 13.046 2.312 8.009
171 HB2 LYS 26 HB2 LYS 26 13.069 5.261 7.374
172 HB3 LYS 26 HB3 LYS 26 11.690 4.263 7.819
173 HG2 LYS 26 HG2 LYS 26 12.606 3.993 10.066
174 HG3 LYS 26 HG3 LYS 26 13.992 4.991 9.620
175 HD2 LYS 26 HD2 LYS 26 12.610 6.911 9.327
176 HD3 LYS 26 HD3 LYS 26 11.138 5.946 9.461
177 HE2 LYS 26 HE2 LYS 26 11.967 5.348 11.806
178 HE3 LYS 26 HE3 LYS 26 13.106 6.680 11.609
179 HZ1 LYS 26 HZ1 LYS 26 10.803 7.839 10.899
180 HZ2 LYS 26 HZ2 LYS 26 11.438 7.881 12.466
181 HZ3 LYS 26 HZ3 LYS 26 10.250 6.745 12.066
182 H TYR 27 H TYR 27 14.684 1.435 6.148
183 HA TYR 27 HA TYR 27 13.290 2.062 3.685
184 HB2 TYR 27 HB2 TYR 27 15.148 2.713 2.405
185 HB3 TYR 27 HB3 TYR 27 15.332 3.613 3.907
186 HD1 TYR 27 HD2 TYR 27 16.616 1.962 5.766
187 HD2 TYR 27 HD1 TYR 27 17.163 2.014 1.546
188 HE1 TYR 27 HE2 TYR 27 18.874 1.030 6.053
189 HE2 TYR 27 HE1 TYR 27 19.422 1.081 1.822
190 HH TYR 27 HH TYR 27 21.197 1.178 4.018
191 H CYS 28 H CYS 28 13.606 0.476 2.032
192 HA CYS 28 HA CYS 28 13.828 -2.160 3.026
193 HB2 CYS 28 HB2 CYS 28 13.539 -0.947 0.304
194 HB3 CYS 28 HB3 CYS 28 13.917 -2.661 0.448
195 H ALA 29 H ALA 29 15.368 -3.779 2.542
196 HA ALA 29 HA ALA 29 17.980 -2.818 1.597
197 HB1 ALA 29 HB1 ALA 29 18.966 -4.360 3.410
198 HB2 ALA 29 HB2 ALA 29 18.355 -2.777 3.892
199 HB3 ALA 29 HB3 ALA 29 17.383 -4.221 4.176
200 H TRP 30 H TRP 30 19.162 -4.265 0.413
201 HA TRP 30 HA TRP 30 17.748 -6.460 -0.739
202 HB2 TRP 30 HB2 TRP 30 20.343 -5.112 -1.158
203 HB3 TRP 30 HB3 TRP 30 20.297 -6.816 -1.604
204 HD1 TRP 30 HD1 TRP 30 20.093 -3.773 -3.322
205 HE1 TRP 30 HE1 TRP 30 18.530 -3.845 -5.365
206 HE3 TRP 30 HE3 TRP 30 17.454 -7.999 -2.176
207 HZ2 TRP 30 HZ2 TRP 30 16.453 -5.477 -6.359
208 HZ3 TRP 30 HZ3 TRP 30 15.696 -8.748 -3.725
209 HH2 TRP 30 HH2 TRP 30 15.207 -7.511 -5.773
210 H ASP 31 H ASP 31 18.777 -8.657 -0.925
211 HA ASP 31 HA ASP 31 19.268 -10.626 0.114
212 HB2 ASP 31 HB2 ASP 31 21.365 -9.049 1.606
213 HB3 ASP 31 HB3 ASP 31 21.408 -10.752 1.158
214 H GLY 32 H GLY 32 17.269 -8.925 1.379
215 HA2 GLY 32 HA2 GLY 32 15.978 -8.945 3.277
216 HA3 GLY 32 HA3 GLY 32 16.863 -10.388 3.749
217 H THR 33 H THR 33 16.783 -9.676 5.932
218 HA THR 33 HA THR 33 17.868 -7.195 6.776
219 HB THR 33 HB THR 33 17.544 -9.735 8.385
220 HG1 THR 33 HG1 THR 33 15.515 -8.963 8.866
221 HG21 THR 33 HG21 THR 33 17.390 -8.117 10.295
222 HG22 THR 33 HG22 THR 33 17.921 -6.851 9.187
223 HG23 THR 33 HG23 THR 33 18.983 -8.213 9.545
224 H PHE 34 H PHE 34 19.861 -6.701 7.671
225 HA PHE 34 HA PHE 34 22.042 -8.430 6.806
226 HB2 PHE 34 HB2 PHE 34 21.853 -5.563 7.677
227 HB3 PHE 34 HB3 PHE 34 23.411 -6.381 7.650
228 HD1 PHE 34 HD1 PHE 34 20.436 -5.999 5.425
229 HD2 PHE 34 HD2 PHE 34 24.677 -6.087 5.769
230 HE1 PHE 34 HE1 PHE 34 20.637 -5.524 3.020
231 HE2 PHE 34 HE2 PHE 34 24.885 -5.612 3.363
232 HZ PHE 34 HZ PHE 34 22.864 -5.331 1.985
233 H SER 35 H SER 35 21.954 -10.084 8.340
234 HA SER 35 HA SER 35 22.076 -9.481 11.158
235 HB2 SER 35 HB2 SER 35 21.035 -11.571 9.935
236 HB3 SER 35 HB3 SER 35 22.677 -12.202 10.059
237 HG SER 35 HG SER 35 21.181 -11.197 12.250
Start of MODEL 14
1 H1 GLU 1 H GLU 1 1.349 -1.328 0.457
2 HA GLU 1 HA GLU 1 1.614 -0.634 -2.291
3 HB2 GLU 1 HB2 GLU 1 2.295 1.463 -0.227
4 HB3 GLU 1 HB3 GLU 1 2.888 1.497 -1.882
5 HG2 GLU 1 HG2 GLU 1 -0.040 1.392 -1.248
6 HG3 GLU 1 HG3 GLU 1 0.850 2.911 -1.334
7 H CYS 2 H CYS 2 3.798 -0.729 -3.030
8 HA CYS 2 HA CYS 2 5.742 -1.712 -1.057
9 HB2 CYS 2 HB2 CYS 2 5.394 -2.947 -3.790
10 HB3 CYS 2 HB3 CYS 2 6.407 -3.525 -2.471
11 H ARG 3 H ARG 3 7.902 -1.268 -1.502
12 HA ARG 3 HA ARG 3 8.467 0.349 -3.884
13 HB2 ARG 3 HB2 ARG 3 9.548 1.126 -1.186
14 HB3 ARG 3 HB3 ARG 3 9.520 2.072 -2.668
15 HG2 ARG 3 HG2 ARG 3 6.867 1.651 -2.246
16 HG3 ARG 3 HG3 ARG 3 7.482 1.754 -0.595
17 HD2 ARG 3 HD2 ARG 3 8.734 3.855 -1.477
18 HD3 ARG 3 HD3 ARG 3 7.538 3.804 -2.772
19 HE ARG 3 HE ARG 3 6.168 3.626 -0.356
20 HH11 ARG 3 HH11 ARG 3 8.160 5.910 -2.069
21 HH12 ARG 3 HH12 ARG 3 7.399 7.299 -1.367
22 HH21 ARG 3 HH21 ARG 3 5.158 5.447 0.575
23 HH22 ARG 3 HH22 ARG 3 5.692 7.034 0.137
24 H TYR 4 H TYR 4 10.939 0.772 -3.989
25 HA TYR 4 HA TYR 4 12.221 -1.829 -3.716
26 HB2 TYR 4 HB2 TYR 4 14.090 -0.464 -4.988
27 HB3 TYR 4 HB3 TYR 4 12.667 -1.055 -5.839
28 HD1 TYR 4 HD2 TYR 4 14.277 1.928 -4.393
29 HD2 TYR 4 HD1 TYR 4 11.046 0.460 -6.740
30 HE1 TYR 4 HE2 TYR 4 13.763 4.224 -5.111
31 HE2 TYR 4 HE1 TYR 4 10.524 2.751 -7.465
32 HH TYR 4 HH TYR 4 12.620 5.330 -7.062
33 H LEU 5 H LEU 5 14.812 -1.382 -3.429
34 HA LEU 5 HA LEU 5 15.234 -1.048 -0.727
35 HB2 LEU 5 HB2 LEU 5 16.776 -1.972 -2.583
36 HB3 LEU 5 HB3 LEU 5 17.344 -0.310 -2.720
37 HG LEU 5 HG LEU 5 17.428 -1.858 -0.140
38 HD11 LEU 5 HD11 LEU 5 19.983 -1.831 -0.877
39 HD12 LEU 5 HD12 LEU 5 19.246 -1.912 -2.477
40 HD13 LEU 5 HD13 LEU 5 18.895 -3.159 -1.281
41 HD21 LEU 5 HD21 LEU 5 19.296 -0.139 0.232
42 HD22 LEU 5 HD22 LEU 5 17.626 0.419 0.329
43 HD23 LEU 5 HD23 LEU 5 18.578 0.731 -1.124
44 H PHE 6 H PHE 6 15.723 1.355 -3.303
45 HA PHE 6 HA PHE 6 16.402 3.433 -1.441
46 HB2 PHE 6 HB2 PHE 6 15.889 3.372 -4.408
47 HB3 PHE 6 HB3 PHE 6 16.136 4.888 -3.547
48 HD1 PHE 6 HD2 PHE 6 18.297 5.192 -2.259
49 HD2 PHE 6 HD1 PHE 6 17.699 2.075 -5.094
50 HE1 PHE 6 HE2 PHE 6 20.733 4.906 -2.453
51 HE2 PHE 6 HE1 PHE 6 20.134 1.783 -5.292
52 HZ PHE 6 HZ PHE 6 21.654 3.199 -3.970
53 H GLY 7 H GLY 7 13.516 2.028 -2.416
54 HA2 GLY 7 HA2 GLY 7 11.716 4.108 -2.691
55 HA3 GLY 7 HA3 GLY 7 11.326 2.556 -1.965
56 H GLY 8 H GLY 8 12.089 2.333 0.377
57 HA2 GLY 8 HA2 GLY 8 12.587 3.473 2.451
58 HA3 GLY 8 HA3 GLY 8 11.827 4.911 1.785
59 H CYS 9 H CYS 9 11.410 2.875 4.152
60 HA CYS 9 HA CYS 9 8.549 3.231 4.213
61 HB2 CYS 9 HB2 CYS 9 8.211 0.741 4.733
62 HB3 CYS 9 HB3 CYS 9 8.448 1.189 3.047
63 H SER 10 H SER 10 7.721 1.937 6.301
64 HA SER 10 HA SER 10 9.617 2.631 8.446
65 HB2 SER 10 HB2 SER 10 7.754 3.184 9.842
66 HB3 SER 10 HB3 SER 10 7.469 3.963 8.285
67 HG SER 10 HG SER 10 5.809 2.438 9.510
68 H SER 11 H SER 11 7.633 0.153 7.085
69 HA SER 11 HA SER 11 8.548 -1.692 9.186
70 HB2 SER 11 HB2 SER 11 6.024 -0.988 9.224
71 HB3 SER 11 HB3 SER 11 5.886 -2.102 7.863
72 HG SER 11 HG SER 11 5.893 -2.705 10.414
73 H THR 12 H THR 12 8.511 -3.985 8.482
74 HA THR 12 HA THR 12 9.827 -4.259 5.973
75 HB THR 12 HB THR 12 9.846 -6.681 6.466
76 HG1 THR 12 HG1 THR 12 8.404 -5.974 8.821
77 HG21 THR 12 HG21 THR 12 10.593 -5.818 9.110
78 HG22 THR 12 HG22 THR 12 11.097 -4.628 7.910
79 HG23 THR 12 HG23 THR 12 11.621 -6.305 7.762
80 H SER 13 H SER 13 6.545 -4.560 7.019
81 HA SER 13 HA SER 13 5.517 -6.295 5.090
82 HB2 SER 13 HB2 SER 13 4.327 -5.337 7.132
83 HB3 SER 13 HB3 SER 13 4.035 -3.892 6.163
84 HG SER 13 HG SER 13 2.829 -6.350 6.057
85 H ASP 14 H ASP 14 6.641 -3.053 4.815
86 HA ASP 14 HA ASP 14 5.210 -2.349 2.452
87 HB2 ASP 14 HB2 ASP 14 7.564 -1.220 3.922
88 HB3 ASP 14 HB3 ASP 14 7.198 -0.643 2.299
89 H CYS 15 H CYS 15 8.385 -3.749 3.101
90 HA CYS 15 HA CYS 15 9.306 -3.685 0.422
91 HB2 CYS 15 HB2 CYS 15 10.128 -5.452 2.736
92 HB3 CYS 15 HB3 CYS 15 10.997 -5.329 1.210
93 H CYS 16 H CYS 16 8.439 -4.750 -1.221
94 HA CYS 16 HA CYS 16 7.350 -7.445 -0.733
95 HB2 CYS 16 HB2 CYS 16 6.449 -5.484 -2.853
96 HB3 CYS 16 HB3 CYS 16 5.739 -7.058 -2.507
97 H LYS 17 H LYS 17 9.734 -5.665 -2.264
98 HA LYS 17 HA LYS 17 10.040 -7.523 -4.497
99 HB2 LYS 17 HB2 LYS 17 10.485 -4.827 -4.294
100 HB3 LYS 17 HB3 LYS 17 12.109 -5.474 -4.105
101 HG2 LYS 17 HG2 LYS 17 12.042 -5.238 -6.365
102 HG3 LYS 17 HG3 LYS 17 11.427 -6.886 -6.221
103 HD2 LYS 17 HD2 LYS 17 9.104 -5.829 -6.161
104 HD3 LYS 17 HD3 LYS 17 9.890 -4.349 -6.713
105 HE2 LYS 17 HE2 LYS 17 9.079 -5.469 -8.645
106 HE3 LYS 17 HE3 LYS 17 10.829 -5.680 -8.623
107 HZ1 LYS 17 HZ1 LYS 17 10.510 -7.853 -8.713
108 HZ2 LYS 17 HZ2 LYS 17 8.832 -7.653 -8.664
109 HZ3 LYS 17 HZ3 LYS 17 9.706 -7.812 -7.225
110 H HIS 18 H HIS 18 10.391 -8.604 -1.908
111 HA HIS 18 HA HIS 18 11.794 -9.991 -0.776
112 HB2 HIS 18 HB2 HIS 18 12.352 -10.578 -3.254
113 HB3 HIS 18 HB3 HIS 18 13.851 -9.708 -2.944
114 HD1 HIS 18 HD1 HIS 18 15.569 -11.479 -2.705
115 HD2 HIS 18 HD2 HIS 18 12.100 -12.383 -0.604
116 HE1 HIS 18 HE1 HIS 18 16.080 -13.591 -1.440
117 H LEU 19 H LEU 19 11.878 -7.242 -0.184
118 HA LEU 19 HA LEU 19 14.711 -6.878 0.542
119 HB2 LEU 19 HB2 LEU 19 12.602 -4.754 0.180
120 HB3 LEU 19 HB3 LEU 19 14.291 -4.481 0.601
121 HG LEU 19 HG LEU 19 13.820 -5.932 -1.924
122 HD11 LEU 19 HD11 LEU 19 13.286 -2.975 -1.786
123 HD12 LEU 19 HD12 LEU 19 12.012 -4.191 -1.852
124 HD13 LEU 19 HD13 LEU 19 13.154 -4.038 -3.187
125 HD21 LEU 19 HD21 LEU 19 15.517 -3.511 -1.400
126 HD22 LEU 19 HD22 LEU 19 15.724 -4.758 -2.629
127 HD23 LEU 19 HD23 LEU 19 16.031 -5.132 -0.933
128 H SER 20 H SER 20 15.035 -5.618 2.577
129 HA SER 20 HA SER 20 12.949 -6.275 4.554
130 HB2 SER 20 HB2 SER 20 14.665 -6.786 6.173
131 HB3 SER 20 HB3 SER 20 14.995 -7.717 4.712
132 HG SER 20 HG SER 20 16.587 -6.229 4.165
133 H CYS 21 H CYS 21 12.078 -4.528 5.425
134 HA CYS 21 HA CYS 21 13.307 -1.944 5.171
135 HB2 CYS 21 HB2 CYS 21 10.751 -2.663 5.201
136 HB3 CYS 21 HB3 CYS 21 10.937 -2.383 6.929
137 H ARG 22 H ARG 22 14.945 -1.394 6.450
138 HA ARG 22 HA ARG 22 15.244 -2.500 9.096
139 HB2 ARG 22 HB2 ARG 22 16.867 -0.360 7.707
140 HB3 ARG 22 HB3 ARG 22 17.320 -1.215 9.175
141 HG2 ARG 22 HG2 ARG 22 16.725 -2.877 6.807
142 HG3 ARG 22 HG3 ARG 22 18.195 -1.903 6.750
143 HD2 ARG 22 HD2 ARG 22 17.644 -3.481 9.209
144 HD3 ARG 22 HD3 ARG 22 18.176 -4.346 7.767
145 HE ARG 22 HE ARG 22 19.900 -2.194 8.133
146 HH11 ARG 22 HH11 ARG 22 19.002 -5.128 9.779
147 HH12 ARG 22 HH12 ARG 22 20.551 -5.336 10.528
148 HH21 ARG 22 HH21 ARG 22 21.943 -2.458 9.113
149 HH22 ARG 22 HH22 ARG 22 22.222 -3.816 10.149
150 H SER 23 H SER 23 14.798 -1.554 11.004
151 HA SER 23 HA SER 23 13.136 0.783 11.014
152 HB2 SER 23 HB2 SER 23 13.463 0.397 13.609
153 HB3 SER 23 HB3 SER 23 12.455 -0.693 12.657
154 HG SER 23 HG SER 23 13.851 -2.246 12.957
155 H ASP 24 H ASP 24 16.413 0.392 10.873
156 HA ASP 24 HA ASP 24 17.200 2.510 12.658
157 HB2 ASP 24 HB2 ASP 24 18.717 0.636 12.172
158 HB3 ASP 24 HB3 ASP 24 18.761 1.110 10.476
159 H TRP 25 H TRP 25 17.356 2.129 9.112
160 HA TRP 25 HA TRP 25 17.423 5.048 8.859
161 HB2 TRP 25 HB2 TRP 25 18.280 2.776 7.123
162 HB3 TRP 25 HB3 TRP 25 17.815 4.288 6.348
163 HD1 TRP 25 HD1 TRP 25 20.005 3.579 9.487
164 HE1 TRP 25 HE1 TRP 25 22.209 4.879 9.213
165 HE3 TRP 25 HE3 TRP 25 19.160 5.648 4.889
166 HZ2 TRP 25 HZ2 TRP 25 23.429 6.559 7.300
167 HZ3 TRP 25 HZ3 TRP 25 20.896 7.090 3.908
168 HH2 TRP 25 HH2 TRP 25 22.985 7.535 5.090
169 H LYS 26 H LYS 26 15.255 2.491 8.706
170 HA LYS 26 HA LYS 26 13.074 2.329 8.081
171 HB2 LYS 26 HB2 LYS 26 13.179 5.291 7.509
172 HB3 LYS 26 HB3 LYS 26 11.762 4.323 7.896
173 HG2 LYS 26 HG2 LYS 26 12.717 3.921 10.149
174 HG3 LYS 26 HG3 LYS 26 14.034 5.024 9.744
175 HD2 LYS 26 HD2 LYS 26 11.210 5.937 9.420
176 HD3 LYS 26 HD3 LYS 26 11.921 5.885 11.035
177 HE2 LYS 26 HE2 LYS 26 13.227 7.273 8.705
178 HE3 LYS 26 HE3 LYS 26 12.111 8.084 9.803
179 HZ1 LYS 26 HZ1 LYS 26 14.649 6.761 10.598
180 HZ2 LYS 26 HZ2 LYS 26 13.585 7.564 11.638
181 HZ3 LYS 26 HZ3 LYS 26 14.417 8.430 10.447
182 H TYR 27 H TYR 27 14.681 1.443 6.197
183 HA TYR 27 HA TYR 27 13.287 2.135 3.752
184 HB2 TYR 27 HB2 TYR 27 15.152 2.763 2.470
185 HB3 TYR 27 HB3 TYR 27 15.364 3.637 3.983
186 HD1 TYR 27 HD2 TYR 27 16.620 1.930 5.811
187 HD2 TYR 27 HD1 TYR 27 17.148 2.036 1.590
188 HE1 TYR 27 HE2 TYR 27 18.858 0.943 6.072
189 HE2 TYR 27 HE1 TYR 27 19.386 1.049 1.840
190 HH TYR 27 HH TYR 27 20.431 -0.496 4.486
191 H CYS 28 H CYS 28 13.573 0.570 2.067
192 HA CYS 28 HA CYS 28 13.736 -2.086 3.025
193 HB2 CYS 28 HB2 CYS 28 13.462 -0.828 0.320
194 HB3 CYS 28 HB3 CYS 28 13.800 -2.552 0.440
195 H ALA 29 H ALA 29 15.237 -3.732 2.503
196 HA ALA 29 HA ALA 29 17.865 -2.815 1.559
197 HB1 ALA 29 HB1 ALA 29 17.233 -4.189 4.137
198 HB2 ALA 29 HB2 ALA 29 18.794 -4.445 3.356
199 HB3 ALA 29 HB3 ALA 29 18.300 -2.819 3.828
200 H TRP 30 H TRP 30 19.013 -4.275 0.356
201 HA TRP 30 HA TRP 30 17.538 -6.437 -0.800
202 HB2 TRP 30 HB2 TRP 30 20.133 -5.105 -1.271
203 HB3 TRP 30 HB3 TRP 30 20.061 -6.803 -1.734
204 HD1 TRP 30 HD1 TRP 30 19.838 -3.740 -3.413
205 HE1 TRP 30 HE1 TRP 30 18.222 -3.777 -5.416
206 HE3 TRP 30 HE3 TRP 30 17.195 -7.958 -2.245
207 HZ2 TRP 30 HZ2 TRP 30 16.106 -5.382 -6.374
208 HZ3 TRP 30 HZ3 TRP 30 15.392 -8.676 -3.756
209 HH2 TRP 30 HH2 TRP 30 14.860 -7.413 -5.777
210 H ASP 31 H ASP 31 18.545 -8.640 -1.034
211 HA ASP 31 HA ASP 31 19.088 -10.621 -0.051
212 HB2 ASP 31 HB2 ASP 31 21.141 -9.077 1.529
213 HB3 ASP 31 HB3 ASP 31 21.221 -10.750 0.982
214 H GLY 32 H GLY 32 17.060 -8.955 1.237
215 HA2 GLY 32 HA2 GLY 32 15.751 -9.027 3.121
216 HA3 GLY 32 HA3 GLY 32 16.622 -10.491 3.552
217 H THR 33 H THR 33 16.477 -9.816 5.759
218 HA THR 33 HA THR 33 17.630 -7.383 6.672
219 HB THR 33 HB THR 33 17.521 -8.419 8.928
220 HG1 THR 33 HG1 THR 33 17.669 -10.539 8.871
221 HG21 THR 33 HG21 THR 33 15.043 -8.737 7.231
222 HG22 THR 33 HG22 THR 33 15.567 -7.267 8.053
223 HG23 THR 33 HG23 THR 33 15.068 -8.673 8.992
224 H PHE 34 H PHE 34 19.545 -7.148 7.973
225 HA PHE 34 HA PHE 34 21.668 -9.026 7.178
226 HB2 PHE 34 HB2 PHE 34 21.746 -6.068 7.766
227 HB3 PHE 34 HB3 PHE 34 23.202 -7.052 7.665
228 HD1 PHE 34 HD2 PHE 34 22.962 -8.723 5.439
229 HD2 PHE 34 HD1 PHE 34 21.441 -4.775 5.908
230 HE1 PHE 34 HE2 PHE 34 22.995 -8.423 2.997
231 HE2 PHE 34 HE1 PHE 34 21.470 -4.470 3.467
232 HZ PHE 34 HZ PHE 34 22.249 -6.295 2.008
233 H SER 35 H SER 35 22.986 -9.915 8.693
234 HA SER 35 HA SER 35 22.061 -9.985 11.386
235 HB2 SER 35 HB2 SER 35 24.729 -11.005 10.407
236 HB3 SER 35 HB3 SER 35 23.781 -11.587 11.775
237 HG SER 35 HG SER 35 23.479 -12.081 9.055
Start of MODEL 15
1 H1 GLU 1 H GLU 1 1.006 -0.790 0.272
2 HA GLU 1 HA GLU 1 2.117 0.214 -2.197
3 HB2 GLU 1 HB2 GLU 1 1.965 1.201 0.624
4 HB3 GLU 1 HB3 GLU 1 3.126 1.927 -0.479
5 HG2 GLU 1 HG2 GLU 1 0.187 1.713 -1.071
6 HG3 GLU 1 HG3 GLU 1 0.930 3.109 -0.293
7 H CYS 2 H CYS 2 3.562 -1.520 -2.693
8 HA CYS 2 HA CYS 2 5.820 -1.942 -0.904
9 HB2 CYS 2 HB2 CYS 2 5.374 -3.185 -3.619
10 HB3 CYS 2 HB3 CYS 2 6.429 -3.761 -2.333
11 H ARG 3 H ARG 3 7.942 -1.439 -1.386
12 HA ARG 3 HA ARG 3 8.444 0.115 -3.823
13 HB2 ARG 3 HB2 ARG 3 9.536 0.997 -1.160
14 HB3 ARG 3 HB3 ARG 3 9.484 1.894 -2.672
15 HG2 ARG 3 HG2 ARG 3 6.840 1.442 -2.218
16 HG3 ARG 3 HG3 ARG 3 7.465 1.613 -0.576
17 HD2 ARG 3 HD2 ARG 3 8.682 3.699 -1.567
18 HD3 ARG 3 HD3 ARG 3 7.444 3.588 -2.817
19 HE ARG 3 HE ARG 3 6.275 3.490 -0.239
20 HH11 ARG 3 HH11 ARG 3 7.745 5.680 -2.511
21 HH12 ARG 3 HH12 ARG 3 6.886 7.068 -1.929
22 HH21 ARG 3 HH21 ARG 3 5.138 5.309 0.536
23 HH22 ARG 3 HH22 ARG 3 5.404 6.855 -0.195
24 H TYR 4 H TYR 4 10.905 0.583 -3.975
25 HA TYR 4 HA TYR 4 12.242 -1.982 -3.643
26 HB2 TYR 4 HB2 TYR 4 14.071 -0.615 -4.970
27 HB3 TYR 4 HB3 TYR 4 12.651 -1.256 -5.790
28 HD1 TYR 4 HD2 TYR 4 14.212 1.796 -4.435
29 HD2 TYR 4 HD1 TYR 4 10.996 0.202 -6.718
30 HE1 TYR 4 HE2 TYR 4 13.646 4.061 -5.207
31 HE2 TYR 4 HE1 TYR 4 10.421 2.463 -7.498
32 HH TYR 4 HH TYR 4 11.534 5.235 -6.074
33 H LEU 5 H LEU 5 14.826 -1.477 -3.395
34 HA LEU 5 HA LEU 5 15.267 -1.061 -0.707
35 HB2 LEU 5 HB2 LEU 5 16.819 -2.054 -2.466
36 HB3 LEU 5 HB3 LEU 5 17.306 -0.395 -2.812
37 HG LEU 5 HG LEU 5 17.515 -1.484 -0.029
38 HD11 LEU 5 HD11 LEU 5 19.520 -1.863 -2.248
39 HD12 LEU 5 HD12 LEU 5 18.638 -3.130 -1.397
40 HD13 LEU 5 HD13 LEU 5 19.828 -2.155 -0.536
41 HD21 LEU 5 HD21 LEU 5 19.631 0.117 -0.414
42 HD22 LEU 5 HD22 LEU 5 18.060 0.704 0.132
43 HD23 LEU 5 HD23 LEU 5 18.507 0.833 -1.570
44 H PHE 6 H PHE 6 15.689 1.275 -3.355
45 HA PHE 6 HA PHE 6 16.347 3.417 -1.557
46 HB2 PHE 6 HB2 PHE 6 15.717 3.370 -4.512
47 HB3 PHE 6 HB3 PHE 6 16.174 4.826 -3.635
48 HD1 PHE 6 HD1 PHE 6 17.344 1.445 -4.587
49 HD2 PHE 6 HD2 PHE 6 18.422 5.335 -3.240
50 HE1 PHE 6 HE1 PHE 6 19.718 0.908 -4.949
51 HE2 PHE 6 HE2 PHE 6 20.798 4.805 -3.600
52 HZ PHE 6 HZ PHE 6 21.448 2.590 -4.456
53 H GLY 7 H GLY 7 13.484 1.927 -2.432
54 HA2 GLY 7 HA2 GLY 7 11.645 3.972 -2.767
55 HA3 GLY 7 HA3 GLY 7 11.286 2.433 -1.999
56 H GLY 8 H GLY 8 12.068 2.284 0.343
57 HA2 GLY 8 HA2 GLY 8 12.570 3.500 2.378
58 HA3 GLY 8 HA3 GLY 8 11.754 4.893 1.683
59 H CYS 9 H CYS 9 11.438 2.886 4.101
60 HA CYS 9 HA CYS 9 8.568 3.163 4.202
61 HB2 CYS 9 HB2 CYS 9 8.306 0.680 4.773
62 HB3 CYS 9 HB3 CYS 9 8.519 1.094 3.075
63 H SER 10 H SER 10 7.813 1.888 6.328
64 HA SER 10 HA SER 10 9.727 2.666 8.429
65 HB2 SER 10 HB2 SER 10 7.788 3.078 9.873
66 HB3 SER 10 HB3 SER 10 7.675 4.032 8.395
67 HG SER 10 HG SER 10 6.110 2.697 7.642
68 H SER 11 H SER 11 7.762 0.134 7.148
69 HA SER 11 HA SER 11 8.717 -1.650 9.284
70 HB2 SER 11 HB2 SER 11 6.186 -0.989 9.323
71 HB3 SER 11 HB3 SER 11 6.057 -2.123 7.979
72 HG SER 11 HG SER 11 5.804 -3.447 9.636
73 H THR 12 H THR 12 8.744 -3.950 8.637
74 HA THR 12 HA THR 12 10.041 -4.260 6.124
75 HB THR 12 HB THR 12 9.997 -6.716 6.691
76 HG1 THR 12 HG1 THR 12 8.248 -6.967 7.991
77 HG21 THR 12 HG21 THR 12 11.214 -6.090 9.063
78 HG22 THR 12 HG22 THR 12 11.269 -4.553 8.201
79 HG23 THR 12 HG23 THR 12 11.976 -5.996 7.476
80 H SER 13 H SER 13 6.776 -4.612 7.206
81 HA SER 13 HA SER 13 5.780 -6.415 5.318
82 HB2 SER 13 HB2 SER 13 4.477 -5.684 7.261
83 HB3 SER 13 HB3 SER 13 4.379 -4.053 6.597
84 HG SER 13 HG SER 13 2.942 -4.705 5.155
85 H ASP 14 H ASP 14 6.820 -3.155 4.978
86 HA ASP 14 HA ASP 14 5.334 -2.515 2.629
87 HB2 ASP 14 HB2 ASP 14 7.624 -1.307 4.109
88 HB3 ASP 14 HB3 ASP 14 7.365 -0.807 2.440
89 H CYS 15 H CYS 15 8.549 -3.838 3.244
90 HA CYS 15 HA CYS 15 9.419 -3.796 0.545
91 HB2 CYS 15 HB2 CYS 15 10.330 -5.519 2.859
92 HB3 CYS 15 HB3 CYS 15 11.173 -5.364 1.322
93 H CYS 16 H CYS 16 8.478 -4.883 -1.046
94 HA CYS 16 HA CYS 16 7.507 -7.612 -0.498
95 HB2 CYS 16 HB2 CYS 16 6.468 -5.736 -2.629
96 HB3 CYS 16 HB3 CYS 16 5.798 -7.299 -2.171
97 H LYS 17 H LYS 17 9.782 -5.779 -2.123
98 HA LYS 17 HA LYS 17 10.058 -7.637 -4.359
99 HB2 LYS 17 HB2 LYS 17 11.268 -4.976 -3.681
100 HB3 LYS 17 HB3 LYS 17 12.024 -6.011 -4.884
101 HG2 LYS 17 HG2 LYS 17 9.130 -5.237 -5.045
102 HG3 LYS 17 HG3 LYS 17 10.416 -4.233 -5.719
103 HD2 LYS 17 HD2 LYS 17 10.177 -7.145 -6.410
104 HD3 LYS 17 HD3 LYS 17 9.252 -5.915 -7.275
105 HE2 LYS 17 HE2 LYS 17 11.312 -4.779 -7.894
106 HE3 LYS 17 HE3 LYS 17 12.255 -5.954 -6.979
107 HZ1 LYS 17 HZ1 LYS 17 12.408 -6.942 -8.976
108 HZ2 LYS 17 HZ2 LYS 17 11.015 -6.205 -9.590
109 HZ3 LYS 17 HZ3 LYS 17 10.882 -7.564 -8.592
110 H HIS 18 H HIS 18 10.526 -8.699 -1.781
111 HA HIS 18 HA HIS 18 12.003 -10.045 -0.693
112 HB2 HIS 18 HB2 HIS 18 13.827 -9.679 -3.073
113 HB3 HIS 18 HB3 HIS 18 13.817 -11.016 -1.927
114 HD1 HIS 18 HD1 HIS 18 12.971 -10.474 -5.240
115 HD2 HIS 18 HD2 HIS 18 10.905 -12.169 -2.059
116 HE1 HIS 18 HE1 HIS 18 11.196 -11.916 -6.284
117 H LEU 19 H LEU 19 12.025 -7.385 0.020
118 HA LEU 19 HA LEU 19 14.871 -6.942 0.637
119 HB2 LEU 19 HB2 LEU 19 12.759 -4.829 0.236
120 HB3 LEU 19 HB3 LEU 19 14.451 -4.546 0.641
121 HG LEU 19 HG LEU 19 14.004 -6.064 -1.838
122 HD11 LEU 19 HD11 LEU 19 12.161 -4.241 -1.656
123 HD12 LEU 19 HD12 LEU 19 13.102 -4.389 -3.140
124 HD13 LEU 19 HD13 LEU 19 13.490 -3.125 -1.973
125 HD21 LEU 19 HD21 LEU 19 15.867 -4.862 -2.580
126 HD22 LEU 19 HD22 LEU 19 16.181 -5.135 -0.866
127 HD23 LEU 19 HD23 LEU 19 15.605 -3.561 -1.419
128 H SER 20 H SER 20 15.176 -5.583 2.632
129 HA SER 20 HA SER 20 13.112 -6.223 4.637
130 HB2 SER 20 HB2 SER 20 14.630 -7.411 5.777
131 HB3 SER 20 HB3 SER 20 15.836 -7.074 4.536
132 HG SER 20 HG SER 20 16.450 -5.248 5.651
133 H CYS 21 H CYS 21 12.276 -4.508 5.606
134 HA CYS 21 HA CYS 21 13.448 -1.898 5.227
135 HB2 CYS 21 HB2 CYS 21 10.902 -2.650 5.307
136 HB3 CYS 21 HB3 CYS 21 11.106 -2.325 7.025
137 H ARG 22 H ARG 22 14.903 -1.038 6.539
138 HA ARG 22 HA ARG 22 15.328 -2.172 9.183
139 HB2 ARG 22 HB2 ARG 22 16.868 -0.009 7.737
140 HB3 ARG 22 HB3 ARG 22 17.359 -0.815 9.221
141 HG2 ARG 22 HG2 ARG 22 16.815 -2.520 6.861
142 HG3 ARG 22 HG3 ARG 22 18.275 -1.530 6.839
143 HD2 ARG 22 HD2 ARG 22 17.690 -3.096 9.294
144 HD3 ARG 22 HD3 ARG 22 18.242 -3.974 7.868
145 HE ARG 22 HE ARG 22 19.919 -1.755 8.341
146 HH11 ARG 22 HH11 ARG 22 19.151 -4.904 9.612
147 HH12 ARG 22 HH12 ARG 22 20.724 -5.158 10.291
148 HH21 ARG 22 HH21 ARG 22 21.995 -2.078 9.230
149 HH22 ARG 22 HH22 ARG 22 22.341 -3.549 10.074
150 H SER 23 H SER 23 14.865 -1.195 11.073
151 HA SER 23 HA SER 23 13.121 1.082 11.040
152 HB2 SER 23 HB2 SER 23 12.579 0.494 13.179
153 HB3 SER 23 HB3 SER 23 13.320 -1.032 12.697
154 HG SER 23 HG SER 23 14.729 -0.698 14.203
155 H ASP 24 H ASP 24 16.408 0.802 10.884
156 HA ASP 24 HA ASP 24 17.079 3.049 12.582
157 HB2 ASP 24 HB2 ASP 24 18.650 1.233 10.772
158 HB3 ASP 24 HB3 ASP 24 19.369 2.708 11.414
159 H TRP 25 H TRP 25 17.428 2.375 9.094
160 HA TRP 25 HA TRP 25 17.545 5.246 8.578
161 HB2 TRP 25 HB2 TRP 25 18.256 2.790 7.033
162 HB3 TRP 25 HB3 TRP 25 17.867 4.260 6.143
163 HD1 TRP 25 HD1 TRP 25 20.184 3.389 9.149
164 HE1 TRP 25 HE1 TRP 25 22.405 4.646 8.814
165 HE3 TRP 25 HE3 TRP 25 19.089 5.822 4.789
166 HZ2 TRP 25 HZ2 TRP 25 23.542 6.433 6.948
167 HZ3 TRP 25 HZ3 TRP 25 20.797 7.287 3.794
168 HH2 TRP 25 HH2 TRP 25 22.977 7.585 4.853
169 H LYS 26 H LYS 26 15.282 2.739 8.608
170 HA LYS 26 HA LYS 26 13.090 2.615 8.016
171 HB2 LYS 26 HB2 LYS 26 13.257 5.535 7.280
172 HB3 LYS 26 HB3 LYS 26 11.834 4.628 7.775
173 HG2 LYS 26 HG2 LYS 26 13.026 4.293 10.002
174 HG3 LYS 26 HG3 LYS 26 14.139 5.550 9.457
175 HD2 LYS 26 HD2 LYS 26 12.575 6.779 10.632
176 HD3 LYS 26 HD3 LYS 26 11.955 6.892 8.983
177 HE2 LYS 26 HE2 LYS 26 10.252 5.348 9.394
178 HE3 LYS 26 HE3 LYS 26 11.046 4.717 10.835
179 HZ1 LYS 26 HZ1 LYS 26 10.419 7.513 11.016
180 HZ2 LYS 26 HZ2 LYS 26 10.100 6.263 12.109
181 HZ3 LYS 26 HZ3 LYS 26 9.047 6.543 10.815
182 H TYR 27 H TYR 27 14.744 1.659 6.148
183 HA TYR 27 HA TYR 27 13.289 2.194 3.699
184 HB2 TYR 27 HB2 TYR 27 15.096 2.842 2.361
185 HB3 TYR 27 HB3 TYR 27 15.343 3.758 3.843
186 HD1 TYR 27 HD2 TYR 27 16.659 2.043 5.665
187 HD2 TYR 27 HD1 TYR 27 17.105 2.203 1.437
188 HE1 TYR 27 HE2 TYR 27 18.921 1.101 5.874
189 HE2 TYR 27 HE1 TYR 27 19.368 1.260 1.634
190 HH TYR 27 HH TYR 27 20.490 -0.315 4.175
191 H CYS 28 H CYS 28 13.609 0.565 2.078
192 HA CYS 28 HA CYS 28 13.832 -2.039 3.139
193 HB2 CYS 28 HB2 CYS 28 13.591 -0.907 0.375
194 HB3 CYS 28 HB3 CYS 28 13.944 -2.619 0.584
195 H ALA 29 H ALA 29 15.312 -3.731 2.231
196 HA ALA 29 HA ALA 29 17.948 -2.777 1.447
197 HB1 ALA 29 HB1 ALA 29 18.335 -2.681 3.741
198 HB2 ALA 29 HB2 ALA 29 17.377 -4.127 4.061
199 HB3 ALA 29 HB3 ALA 29 18.954 -4.268 3.284
200 H TRP 30 H TRP 30 19.090 -4.240 0.257
201 HA TRP 30 HA TRP 30 17.660 -6.473 -0.800
202 HB2 TRP 30 HB2 TRP 30 20.232 -5.118 -1.327
203 HB3 TRP 30 HB3 TRP 30 20.184 -6.832 -1.732
204 HD1 TRP 30 HD1 TRP 30 19.908 -3.828 -3.510
205 HE1 TRP 30 HE1 TRP 30 18.286 -3.956 -5.505
206 HE3 TRP 30 HE3 TRP 30 17.335 -8.045 -2.194
207 HZ2 TRP 30 HZ2 TRP 30 16.192 -5.624 -6.401
208 HZ3 TRP 30 HZ3 TRP 30 15.537 -8.840 -3.674
209 HH2 TRP 30 HH2 TRP 30 14.979 -7.653 -5.733
210 H ASP 31 H ASP 31 18.700 -8.667 -0.962
211 HA ASP 31 HA ASP 31 19.266 -10.604 0.094
212 HB2 ASP 31 HB2 ASP 31 21.332 -8.945 1.543
213 HB3 ASP 31 HB3 ASP 31 21.411 -10.660 1.146
214 H GLY 32 H GLY 32 17.240 -8.913 1.346
215 HA2 GLY 32 HA2 GLY 32 16.015 -8.803 3.285
216 HA3 GLY 32 HA3 GLY 32 16.739 -10.360 3.661
217 H THR 33 H THR 33 16.760 -9.792 5.881
218 HA THR 33 HA THR 33 18.022 -7.496 6.914
219 HB THR 33 HB THR 33 18.007 -10.052 8.470
220 HG1 THR 33 HG1 THR 33 15.695 -9.293 8.926
221 HG21 THR 33 HG21 THR 33 18.080 -7.185 8.986
222 HG22 THR 33 HG22 THR 33 18.546 -8.532 10.025
223 HG23 THR 33 HG23 THR 33 16.861 -8.021 9.946
224 H PHE 34 H PHE 34 20.027 -7.394 8.135
225 HA PHE 34 HA PHE 34 22.090 -9.201 7.057
226 HB2 PHE 34 HB2 PHE 34 22.216 -6.234 7.600
227 HB3 PHE 34 HB3 PHE 34 23.653 -7.219 7.346
228 HD1 PHE 34 HD2 PHE 34 23.590 -8.693 5.157
229 HD2 PHE 34 HD1 PHE 34 21.287 -5.171 5.793
230 HE1 PHE 34 HE2 PHE 34 23.353 -8.414 2.724
231 HE2 PHE 34 HE1 PHE 34 21.045 -4.887 3.361
232 HZ PHE 34 HZ PHE 34 22.080 -6.508 1.823
233 H SER 35 H SER 35 21.978 -10.584 8.848
234 HA SER 35 HA SER 35 22.600 -9.449 11.471
235 HB2 SER 35 HB2 SER 35 21.525 -12.086 10.531
236 HB3 SER 35 HB3 SER 35 22.282 -11.969 12.119
237 HG SER 35 HG SER 35 19.823 -11.222 11.378
Start of MODEL 16
1 H1 GLU 1 H GLU 1 0.632 -1.203 -0.601
2 HA GLU 1 HA GLU 1 2.188 0.226 -2.501
3 HB2 GLU 1 HB2 GLU 1 1.704 0.542 0.451
4 HB3 GLU 1 HB3 GLU 1 2.840 1.577 -0.403
5 HG2 GLU 1 HG2 GLU 1 0.764 2.721 -0.273
6 HG3 GLU 1 HG3 GLU 1 0.995 2.216 -1.946
7 H CYS 2 H CYS 2 3.755 -1.339 -3.152
8 HA CYS 2 HA CYS 2 5.844 -1.900 -1.159
9 HB2 CYS 2 HB2 CYS 2 5.521 -3.207 -3.863
10 HB3 CYS 2 HB3 CYS 2 6.532 -3.743 -2.525
11 H ARG 3 H ARG 3 7.965 -1.346 -1.530
12 HA ARG 3 HA ARG 3 8.551 0.176 -3.974
13 HB2 ARG 3 HB2 ARG 3 9.545 1.028 -1.259
14 HB3 ARG 3 HB3 ARG 3 9.610 1.926 -2.770
15 HG2 ARG 3 HG2 ARG 3 6.904 1.431 -2.355
16 HG3 ARG 3 HG3 ARG 3 7.545 1.848 -0.764
17 HD2 ARG 3 HD2 ARG 3 8.573 3.869 -1.758
18 HD3 ARG 3 HD3 ARG 3 7.813 3.464 -3.296
19 HE ARG 3 HE ARG 3 5.946 3.648 -1.128
20 HH11 ARG 3 HH11 ARG 3 7.707 5.452 -3.529
21 HH12 ARG 3 HH12 ARG 3 6.574 6.763 -3.564
22 HH21 ARG 3 HH21 ARG 3 4.446 5.367 -1.166
23 HH22 ARG 3 HH22 ARG 3 4.720 6.713 -2.219
24 H TYR 4 H TYR 4 11.015 0.627 -4.071
25 HA TYR 4 HA TYR 4 12.327 -1.947 -3.745
26 HB2 TYR 4 HB2 TYR 4 14.210 -0.563 -4.971
27 HB3 TYR 4 HB3 TYR 4 12.812 -1.161 -5.856
28 HD1 TYR 4 HD2 TYR 4 14.342 1.832 -4.335
29 HD2 TYR 4 HD1 TYR 4 11.225 0.341 -6.818
30 HE1 TYR 4 HE2 TYR 4 13.828 4.126 -5.057
31 HE2 TYR 4 HE1 TYR 4 10.703 2.631 -7.547
32 HH TYR 4 HH TYR 4 11.287 4.772 -7.451
33 H LEU 5 H LEU 5 14.905 -1.472 -3.394
34 HA LEU 5 HA LEU 5 15.251 -1.128 -0.679
35 HB2 LEU 5 HB2 LEU 5 16.856 -2.118 -2.372
36 HB3 LEU 5 HB3 LEU 5 17.360 -0.465 -2.719
37 HG LEU 5 HG LEU 5 17.494 -1.534 0.076
38 HD11 LEU 5 HD11 LEU 5 19.829 -2.197 -0.380
39 HD12 LEU 5 HD12 LEU 5 19.538 -1.946 -2.101
40 HD13 LEU 5 HD13 LEU 5 18.650 -3.196 -1.230
41 HD21 LEU 5 HD21 LEU 5 19.500 0.058 0.014
42 HD22 LEU 5 HD22 LEU 5 17.886 0.768 0.002
43 HD23 LEU 5 HD23 LEU 5 18.811 0.656 -1.496
44 H PHE 6 H PHE 6 15.810 1.259 -3.256
45 HA PHE 6 HA PHE 6 16.421 3.351 -1.382
46 HB2 PHE 6 HB2 PHE 6 15.847 3.484 -4.350
47 HB3 PHE 6 HB3 PHE 6 16.480 4.806 -3.374
48 HD1 PHE 6 HD2 PHE 6 18.754 4.659 -2.423
49 HD2 PHE 6 HD1 PHE 6 17.248 1.736 -5.126
50 HE1 PHE 6 HE2 PHE 6 21.047 3.872 -2.845
51 HE2 PHE 6 HE1 PHE 6 19.538 0.944 -5.551
52 HZ PHE 6 HZ PHE 6 21.441 2.013 -4.411
53 H GLY 7 H GLY 7 13.585 1.901 -2.309
54 HA2 GLY 7 HA2 GLY 7 11.780 3.975 -2.728
55 HA3 GLY 7 HA3 GLY 7 11.378 2.437 -1.979
56 H GLY 8 H GLY 8 12.078 2.270 0.388
57 HA2 GLY 8 HA2 GLY 8 12.526 3.478 2.442
58 HA3 GLY 8 HA3 GLY 8 11.739 4.877 1.727
59 H CYS 9 H CYS 9 11.336 2.880 4.133
60 HA CYS 9 HA CYS 9 8.465 3.163 4.139
61 HB2 CYS 9 HB2 CYS 9 8.189 0.673 4.710
62 HB3 CYS 9 HB3 CYS 9 8.429 1.096 3.018
63 H SER 10 H SER 10 7.635 1.893 6.239
64 HA SER 10 HA SER 10 9.464 2.701 8.401
65 HB2 SER 10 HB2 SER 10 7.380 3.996 8.330
66 HB3 SER 10 HB3 SER 10 6.441 2.506 8.421
67 HG SER 10 HG SER 10 7.469 3.943 10.416
68 H SER 11 H SER 11 7.639 0.100 7.052
69 HA SER 11 HA SER 11 8.647 -1.668 9.171
70 HB2 SER 11 HB2 SER 11 6.136 -1.084 9.364
71 HB3 SER 11 HB3 SER 11 5.933 -2.108 7.943
72 HG SER 11 HG SER 11 5.667 -3.369 9.767
73 H THR 12 H THR 12 8.614 -3.988 8.496
74 HA THR 12 HA THR 12 9.888 -4.264 5.966
75 HB THR 12 HB THR 12 10.059 -6.632 6.478
76 HG1 THR 12 HG1 THR 12 8.848 -7.582 8.013
77 HG21 THR 12 HG21 THR 12 11.409 -4.808 7.744
78 HG22 THR 12 HG22 THR 12 11.460 -6.473 8.324
79 HG23 THR 12 HG23 THR 12 10.430 -5.289 9.130
80 H SER 13 H SER 13 6.631 -4.614 7.077
81 HA SER 13 HA SER 13 5.589 -6.377 5.186
82 HB2 SER 13 HB2 SER 13 4.454 -4.188 6.866
83 HB3 SER 13 HB3 SER 13 3.459 -4.828 5.558
84 HG SER 13 HG SER 13 3.758 -6.912 6.472
85 H ASP 14 H ASP 14 6.654 -3.115 4.856
86 HA ASP 14 HA ASP 14 5.184 -2.472 2.499
87 HB2 ASP 14 HB2 ASP 14 7.574 -1.281 3.876
88 HB3 ASP 14 HB3 ASP 14 7.073 -0.701 2.290
89 H CYS 15 H CYS 15 8.393 -3.801 3.132
90 HA CYS 15 HA CYS 15 9.280 -3.756 0.440
91 HB2 CYS 15 HB2 CYS 15 10.175 -5.492 2.751
92 HB3 CYS 15 HB3 CYS 15 11.032 -5.318 1.223
93 H CYS 16 H CYS 16 8.537 -4.919 -1.194
94 HA CYS 16 HA CYS 16 7.429 -7.593 -0.633
95 HB2 CYS 16 HB2 CYS 16 6.591 -5.713 -2.850
96 HB3 CYS 16 HB3 CYS 16 5.879 -7.279 -2.479
97 H LYS 17 H LYS 17 9.873 -5.883 -2.133
98 HA LYS 17 HA LYS 17 10.245 -7.808 -4.298
99 HB2 LYS 17 HB2 LYS 17 10.706 -5.110 -4.157
100 HB3 LYS 17 HB3 LYS 17 12.316 -5.765 -3.892
101 HG2 LYS 17 HG2 LYS 17 12.330 -5.593 -6.159
102 HG3 LYS 17 HG3 LYS 17 11.696 -7.232 -5.990
103 HD2 LYS 17 HD2 LYS 17 10.278 -6.210 -7.552
104 HD3 LYS 17 HD3 LYS 17 9.380 -6.148 -6.034
105 HE2 LYS 17 HE2 LYS 17 9.130 -4.012 -6.973
106 HE3 LYS 17 HE3 LYS 17 10.368 -3.820 -5.734
107 HZ1 LYS 17 HZ1 LYS 17 11.355 -2.755 -7.468
108 HZ2 LYS 17 HZ2 LYS 17 10.624 -3.721 -8.648
109 HZ3 LYS 17 HZ3 LYS 17 11.934 -4.318 -7.759
110 H HIS 18 H HIS 18 10.490 -8.814 -1.668
111 HA HIS 18 HA HIS 18 11.838 -10.183 -0.449
112 HB2 HIS 18 HB2 HIS 18 13.865 -9.920 -2.670
113 HB3 HIS 18 HB3 HIS 18 13.695 -11.243 -1.520
114 HD1 HIS 18 HD1 HIS 18 13.251 -10.810 -4.889
115 HD2 HIS 18 HD2 HIS 18 10.684 -12.166 -1.917
116 HE1 HIS 18 HE1 HIS 18 11.497 -12.161 -6.081
117 H LEU 19 H LEU 19 12.026 -7.229 -0.287
118 HA LEU 19 HA LEU 19 14.793 -6.905 0.638
119 HB2 LEU 19 HB2 LEU 19 12.657 -4.828 0.181
120 HB3 LEU 19 HB3 LEU 19 14.325 -4.508 0.651
121 HG LEU 19 HG LEU 19 13.958 -6.022 -1.858
122 HD11 LEU 19 HD11 LEU 19 13.411 -3.065 -1.814
123 HD12 LEU 19 HD12 LEU 19 12.134 -4.281 -1.858
124 HD13 LEU 19 HD13 LEU 19 13.297 -4.177 -3.179
125 HD21 LEU 19 HD21 LEU 19 15.615 -3.574 -1.328
126 HD22 LEU 19 HD22 LEU 19 15.873 -4.845 -2.524
127 HD23 LEU 19 HD23 LEU 19 16.127 -5.180 -0.810
128 H SER 20 H SER 20 15.099 -5.638 2.654
129 HA SER 20 HA SER 20 12.985 -6.243 4.618
130 HB2 SER 20 HB2 SER 20 14.688 -6.719 6.268
131 HB3 SER 20 HB3 SER 20 15.012 -7.695 4.835
132 HG SER 20 HG SER 20 16.348 -5.371 5.728
133 H CYS 21 H CYS 21 12.107 -4.470 5.428
134 HA CYS 21 HA CYS 21 13.311 -1.894 5.121
135 HB2 CYS 21 HB2 CYS 21 10.770 -2.625 5.237
136 HB3 CYS 21 HB3 CYS 21 10.998 -2.338 6.959
137 H ARG 22 H ARG 22 15.017 -1.355 6.323
138 HA ARG 22 HA ARG 22 15.446 -2.397 8.958
139 HB2 ARG 22 HB2 ARG 22 16.896 -0.170 7.516
140 HB3 ARG 22 HB3 ARG 22 17.453 -1.002 8.961
141 HG2 ARG 22 HG2 ARG 22 16.850 -2.694 6.618
142 HG3 ARG 22 HG3 ARG 22 18.259 -1.639 6.497
143 HD2 ARG 22 HD2 ARG 22 17.913 -3.235 8.980
144 HD3 ARG 22 HD3 ARG 22 18.414 -4.080 7.516
145 HE ARG 22 HE ARG 22 20.020 -1.802 7.854
146 HH11 ARG 22 HH11 ARG 22 19.445 -4.917 9.299
147 HH12 ARG 22 HH12 ARG 22 21.058 -5.078 9.908
148 HH21 ARG 22 HH21 ARG 22 22.148 -2.002 8.651
149 HH22 ARG 22 HH22 ARG 22 22.595 -3.419 9.540
150 H SER 23 H SER 23 14.982 -1.504 10.881
151 HA SER 23 HA SER 23 13.236 0.769 10.966
152 HB2 SER 23 HB2 SER 23 13.128 -1.279 12.486
153 HB3 SER 23 HB3 SER 23 14.504 -0.588 13.346
154 HG SER 23 HG SER 23 13.184 1.307 13.654
155 H ASP 24 H ASP 24 16.525 0.494 10.763
156 HA ASP 24 HA ASP 24 17.245 2.642 12.550
157 HB2 ASP 24 HB2 ASP 24 18.711 0.890 10.620
158 HB3 ASP 24 HB3 ASP 24 19.464 2.394 11.144
159 H TRP 25 H TRP 25 17.440 2.223 9.011
160 HA TRP 25 HA TRP 25 17.467 5.133 8.712
161 HB2 TRP 25 HB2 TRP 25 18.362 2.838 7.063
162 HB3 TRP 25 HB3 TRP 25 17.740 4.232 6.184
163 HD1 TRP 25 HD1 TRP 25 20.265 3.728 9.107
164 HE1 TRP 25 HE1 TRP 25 22.281 5.267 8.672
165 HE3 TRP 25 HE3 TRP 25 18.694 5.913 4.761
166 HZ2 TRP 25 HZ2 TRP 25 23.098 7.158 6.741
167 HZ3 TRP 25 HZ3 TRP 25 20.152 7.578 3.684
168 HH2 TRP 25 HH2 TRP 25 22.307 8.186 4.655
169 H LYS 26 H LYS 26 15.290 2.580 8.652
170 HA LYS 26 HA LYS 26 13.094 2.413 8.084
171 HB2 LYS 26 HB2 LYS 26 13.182 5.365 7.464
172 HB3 LYS 26 HB3 LYS 26 11.781 4.404 7.917
173 HG2 LYS 26 HG2 LYS 26 12.779 4.054 10.145
174 HG3 LYS 26 HG3 LYS 26 14.118 5.106 9.680
175 HD2 LYS 26 HD2 LYS 26 12.472 6.923 9.267
176 HD3 LYS 26 HD3 LYS 26 11.205 5.863 9.888
177 HE2 LYS 26 HE2 LYS 26 11.876 7.298 11.668
178 HE3 LYS 26 HE3 LYS 26 12.512 5.691 12.015
179 HZ1 LYS 26 HZ1 LYS 26 14.573 6.471 12.004
180 HZ2 LYS 26 HZ2 LYS 26 13.934 8.036 11.937
181 HZ3 LYS 26 HZ3 LYS 26 14.366 7.237 10.510
182 H TYR 27 H TYR 27 14.738 1.565 6.161
183 HA TYR 27 HA TYR 27 13.236 2.153 3.753
184 HB2 TYR 27 HB2 TYR 27 15.015 2.878 2.411
185 HB3 TYR 27 HB3 TYR 27 15.247 3.761 3.916
186 HD1 TYR 27 HD2 TYR 27 16.636 2.071 5.686
187 HD2 TYR 27 HD1 TYR 27 17.021 2.286 1.454
188 HE1 TYR 27 HE2 TYR 27 18.926 1.189 5.856
189 HE2 TYR 27 HE1 TYR 27 19.312 1.403 1.612
190 HH TYR 27 HH TYR 27 21.116 1.252 3.256
191 H CYS 28 H CYS 28 13.360 0.524 2.191
192 HA CYS 28 HA CYS 28 13.692 -2.078 3.106
193 HB2 CYS 28 HB2 CYS 28 13.494 -0.861 0.372
194 HB3 CYS 28 HB3 CYS 28 13.833 -2.581 0.541
195 H ALA 29 H ALA 29 15.220 -3.724 2.433
196 HA ALA 29 HA ALA 29 17.856 -2.743 1.624
197 HB1 ALA 29 HB1 ALA 29 17.306 -3.192 4.272
198 HB2 ALA 29 HB2 ALA 29 18.034 -4.716 3.763
199 HB3 ALA 29 HB3 ALA 29 18.910 -3.202 3.539
200 H TRP 30 H TRP 30 19.094 -4.219 0.510
201 HA TRP 30 HA TRP 30 17.685 -6.425 -0.656
202 HB2 TRP 30 HB2 TRP 30 20.261 -5.045 -1.089
203 HB3 TRP 30 HB3 TRP 30 20.237 -6.752 -1.522
204 HD1 TRP 30 HD1 TRP 30 19.992 -3.725 -3.262
205 HE1 TRP 30 HE1 TRP 30 18.426 -3.832 -5.302
206 HE3 TRP 30 HE3 TRP 30 17.407 -7.974 -2.080
207 HZ2 TRP 30 HZ2 TRP 30 16.368 -5.497 -6.281
208 HZ3 TRP 30 HZ3 TRP 30 15.656 -8.756 -3.621
209 HH2 TRP 30 HH2 TRP 30 15.148 -7.542 -5.677
210 H ASP 31 H ASP 31 18.744 -8.609 -0.826
211 HA ASP 31 HA ASP 31 19.284 -10.561 0.217
212 HB2 ASP 31 HB2 ASP 31 21.314 -8.947 1.758
213 HB3 ASP 31 HB3 ASP 31 21.411 -10.638 1.276
214 H GLY 32 H GLY 32 17.222 -8.909 1.446
215 HA2 GLY 32 HA2 GLY 32 15.936 -8.870 3.346
216 HA3 GLY 32 HA3 GLY 32 16.727 -10.384 3.759
217 H THR 33 H THR 33 16.691 -9.807 5.970
218 HA THR 33 HA THR 33 17.880 -7.426 6.958
219 HB THR 33 HB THR 33 18.013 -8.919 9.130
220 HG1 THR 33 HG1 THR 33 16.844 -10.748 9.040
221 HG21 THR 33 HG21 THR 33 15.202 -8.634 8.635
222 HG22 THR 33 HG22 THR 33 16.065 -7.252 7.961
223 HG23 THR 33 HG23 THR 33 16.253 -7.663 9.666
224 H PHE 34 H PHE 34 19.832 -7.251 8.215
225 HA PHE 34 HA PHE 34 21.924 -9.114 7.303
226 HB2 PHE 34 HB2 PHE 34 21.976 -6.150 7.813
227 HB3 PHE 34 HB3 PHE 34 23.459 -7.099 7.817
228 HD1 PHE 34 HD2 PHE 34 23.900 -8.548 5.720
229 HD2 PHE 34 HD1 PHE 34 21.165 -5.288 5.831
230 HE1 PHE 34 HE2 PHE 34 24.024 -8.365 3.270
231 HE2 PHE 34 HE1 PHE 34 21.284 -5.101 3.381
232 HZ PHE 34 HZ PHE 34 22.716 -6.640 2.097
233 H SER 35 H SER 35 22.279 -10.513 8.914
234 HA SER 35 HA SER 35 22.635 -9.422 11.630
235 HB2 SER 35 HB2 SER 35 21.726 -11.378 12.563
236 HB3 SER 35 HB3 SER 35 20.684 -11.057 11.176
237 HG SER 35 HG SER 35 21.352 -13.255 11.296
Start of MODEL 17
1 H1 GLU 1 H GLU 1 0.355 -1.389 -1.746
2 HA GLU 1 HA GLU 1 2.181 0.622 -2.070
3 HB2 GLU 1 HB2 GLU 1 1.040 -0.670 0.384
4 HB3 GLU 1 HB3 GLU 1 2.240 0.606 0.539
5 HG2 GLU 1 HG2 GLU 1 0.288 1.794 0.667
6 HG3 GLU 1 HG3 GLU 1 0.661 1.919 -1.052
7 H CYS 2 H CYS 2 3.739 -1.148 -3.125
8 HA CYS 2 HA CYS 2 5.769 -1.819 -1.096
9 HB2 CYS 2 HB2 CYS 2 5.465 -3.113 -3.808
10 HB3 CYS 2 HB3 CYS 2 6.486 -3.644 -2.476
11 H ARG 3 H ARG 3 7.893 -1.260 -1.456
12 HA ARG 3 HA ARG 3 8.468 0.313 -3.873
13 HB2 ARG 3 HB2 ARG 3 9.464 1.071 -1.128
14 HB3 ARG 3 HB3 ARG 3 9.586 2.005 -2.613
15 HG2 ARG 3 HG2 ARG 3 6.844 1.498 -2.170
16 HG3 ARG 3 HG3 ARG 3 7.539 2.040 -0.641
17 HD2 ARG 3 HD2 ARG 3 8.514 3.982 -1.808
18 HD3 ARG 3 HD3 ARG 3 7.740 3.450 -3.300
19 HE ARG 3 HE ARG 3 5.928 3.826 -1.091
20 HH11 ARG 3 HH11 ARG 3 7.530 5.324 -3.795
21 HH12 ARG 3 HH12 ARG 3 6.358 6.590 -3.956
22 HH21 ARG 3 HH21 ARG 3 4.378 5.488 -1.293
23 HH22 ARG 3 HH22 ARG 3 4.566 6.683 -2.531
24 H TYR 4 H TYR 4 10.935 0.753 -3.981
25 HA TYR 4 HA TYR 4 12.236 -1.838 -3.728
26 HB2 TYR 4 HB2 TYR 4 14.101 -0.446 -4.974
27 HB3 TYR 4 HB3 TYR 4 12.685 -1.033 -5.838
28 HD1 TYR 4 HD2 TYR 4 14.223 1.946 -4.288
29 HD2 TYR 4 HD1 TYR 4 11.107 0.477 -6.784
30 HE1 TYR 4 HE2 TYR 4 13.698 4.248 -4.977
31 HE2 TYR 4 HE1 TYR 4 10.574 2.775 -7.481
32 HH TYR 4 HH TYR 4 10.996 5.220 -6.229
33 H LEU 5 H LEU 5 14.822 -1.378 -3.424
34 HA LEU 5 HA LEU 5 15.227 -1.071 -0.714
35 HB2 LEU 5 HB2 LEU 5 16.781 -1.989 -2.555
36 HB3 LEU 5 HB3 LEU 5 17.342 -0.325 -2.702
37 HG LEU 5 HG LEU 5 17.433 -1.864 -0.115
38 HD11 LEU 5 HD11 LEU 5 19.283 -1.869 -2.437
39 HD12 LEU 5 HD12 LEU 5 18.898 -3.152 -1.291
40 HD13 LEU 5 HD13 LEU 5 19.980 -1.843 -0.817
41 HD21 LEU 5 HD21 LEU 5 17.600 0.423 0.339
42 HD22 LEU 5 HD22 LEU 5 18.571 0.732 -1.101
43 HD23 LEU 5 HD23 LEU 5 19.275 -0.126 0.270
44 H PHE 6 H PHE 6 15.731 1.351 -3.270
45 HA PHE 6 HA PHE 6 16.402 3.415 -1.390
46 HB2 PHE 6 HB2 PHE 6 15.801 3.479 -4.351
47 HB3 PHE 6 HB3 PHE 6 16.261 4.901 -3.421
48 HD1 PHE 6 HD2 PHE 6 18.514 5.010 -2.380
49 HD2 PHE 6 HD1 PHE 6 17.406 1.909 -5.076
50 HE1 PHE 6 HE2 PHE 6 20.889 4.470 -2.729
51 HE2 PHE 6 HE1 PHE 6 19.779 1.363 -5.429
52 HZ PHE 6 HZ PHE 6 21.524 2.644 -4.254
53 H GLY 7 H GLY 7 13.527 1.991 -2.282
54 HA2 GLY 7 HA2 GLY 7 11.698 4.033 -2.611
55 HA3 GLY 7 HA3 GLY 7 11.342 2.514 -1.803
56 H GLY 8 H GLY 8 12.158 2.415 0.531
57 HA2 GLY 8 HA2 GLY 8 12.659 3.626 2.549
58 HA3 GLY 8 HA3 GLY 8 11.938 5.054 1.821
59 H CYS 9 H CYS 9 11.468 2.592 4.003
60 HA CYS 9 HA CYS 9 8.616 3.225 4.175
61 HB2 CYS 9 HB2 CYS 9 8.221 0.745 4.706
62 HB3 CYS 9 HB3 CYS 9 8.464 1.182 3.017
63 H SER 10 H SER 10 7.762 1.954 6.268
64 HA SER 10 HA SER 10 9.676 2.608 8.409
65 HB2 SER 10 HB2 SER 10 7.615 2.922 9.832
66 HB3 SER 10 HB3 SER 10 7.791 4.089 8.522
67 HG SER 10 HG SER 10 6.260 2.961 7.345
68 H SER 11 H SER 11 7.680 0.168 7.029
69 HA SER 11 HA SER 11 8.502 -1.682 9.164
70 HB2 SER 11 HB2 SER 11 6.103 -1.114 9.430
71 HB3 SER 11 HB3 SER 11 5.803 -1.693 7.791
72 HG SER 11 HG SER 11 5.361 -3.280 9.401
73 H THR 12 H THR 12 8.490 -3.966 8.479
74 HA THR 12 HA THR 12 9.833 -4.268 5.987
75 HB THR 12 HB THR 12 9.830 -6.693 6.512
76 HG1 THR 12 HG1 THR 12 8.513 -5.992 8.930
77 HG21 THR 12 HG21 THR 12 10.672 -4.722 8.619
78 HG22 THR 12 HG22 THR 12 11.665 -5.537 7.411
79 HG23 THR 12 HG23 THR 12 11.013 -6.445 8.774
80 H SER 13 H SER 13 6.543 -4.587 7.014
81 HA SER 13 HA SER 13 5.543 -6.340 5.088
82 HB2 SER 13 HB2 SER 13 3.400 -5.581 5.688
83 HB3 SER 13 HB3 SER 13 4.363 -5.300 7.139
84 HG SER 13 HG SER 13 2.928 -3.541 5.936
85 H ASP 14 H ASP 14 6.648 -3.095 4.799
86 HA ASP 14 HA ASP 14 5.224 -2.411 2.425
87 HB2 ASP 14 HB2 ASP 14 7.534 -1.257 3.932
88 HB3 ASP 14 HB3 ASP 14 7.242 -0.713 2.282
89 H CYS 15 H CYS 15 8.377 -3.834 3.103
90 HA CYS 15 HA CYS 15 9.321 -3.768 0.425
91 HB2 CYS 15 HB2 CYS 15 10.138 -5.511 2.759
92 HB3 CYS 15 HB3 CYS 15 11.012 -5.404 1.234
93 H CYS 16 H CYS 16 8.522 -4.872 -1.224
94 HA CYS 16 HA CYS 16 7.401 -7.550 -0.713
95 HB2 CYS 16 HB2 CYS 16 6.558 -5.600 -2.867
96 HB3 CYS 16 HB3 CYS 16 5.848 -7.181 -2.557
97 H LYS 17 H LYS 17 9.831 -5.811 -2.217
98 HA LYS 17 HA LYS 17 10.178 -7.708 -4.410
99 HB2 LYS 17 HB2 LYS 17 10.605 -5.024 -4.289
100 HB3 LYS 17 HB3 LYS 17 12.225 -5.628 -3.967
101 HG2 LYS 17 HG2 LYS 17 12.305 -5.477 -6.235
102 HG3 LYS 17 HG3 LYS 17 11.715 -7.133 -6.068
103 HD2 LYS 17 HD2 LYS 17 10.235 -6.300 -7.617
104 HD3 LYS 17 HD3 LYS 17 9.364 -5.968 -6.118
105 HE2 LYS 17 HE2 LYS 17 9.278 -4.020 -7.531
106 HE3 LYS 17 HE3 LYS 17 10.298 -3.676 -6.135
107 HZ1 LYS 17 HZ1 LYS 17 10.976 -3.726 -8.922
108 HZ2 LYS 17 HZ2 LYS 17 12.050 -4.624 -7.974
109 HZ3 LYS 17 HZ3 LYS 17 11.780 -2.990 -7.629
110 H HIS 18 H HIS 18 10.461 -8.750 -1.800
111 HA HIS 18 HA HIS 18 11.828 -10.138 -0.624
112 HB2 HIS 18 HB2 HIS 18 13.839 -9.814 -2.853
113 HB3 HIS 18 HB3 HIS 18 13.683 -11.163 -1.730
114 HD1 HIS 18 HD1 HIS 18 12.049 -13.002 -2.330
115 HD2 HIS 18 HD2 HIS 18 11.847 -9.743 -4.898
116 HE1 HIS 18 HE1 HIS 18 10.592 -13.742 -4.242
117 H LEU 19 H LEU 19 11.969 -7.218 -0.338
118 HA LEU 19 HA LEU 19 14.750 -6.877 0.548
119 HB2 LEU 19 HB2 LEU 19 12.594 -4.802 0.180
120 HB3 LEU 19 HB3 LEU 19 14.274 -4.490 0.612
121 HG LEU 19 HG LEU 19 13.832 -5.942 -1.923
122 HD11 LEU 19 HD11 LEU 19 13.161 -4.044 -3.175
123 HD12 LEU 19 HD12 LEU 19 13.293 -2.986 -1.771
124 HD13 LEU 19 HD13 LEU 19 12.018 -4.202 -1.841
125 HD21 LEU 19 HD21 LEU 19 16.037 -5.151 -0.925
126 HD22 LEU 19 HD22 LEU 19 15.522 -3.521 -1.363
127 HD23 LEU 19 HD23 LEU 19 15.731 -4.747 -2.615
128 H SER 20 H SER 20 15.041 -5.619 2.588
129 HA SER 20 HA SER 20 12.952 -6.300 4.553
130 HB2 SER 20 HB2 SER 20 15.902 -6.748 4.618
131 HB3 SER 20 HB3 SER 20 15.090 -6.351 6.133
132 HG SER 20 HG SER 20 14.310 -8.294 6.173
133 H CYS 21 H CYS 21 12.084 -4.557 5.435
134 HA CYS 21 HA CYS 21 13.343 -1.979 5.215
135 HB2 CYS 21 HB2 CYS 21 10.773 -2.691 5.193
136 HB3 CYS 21 HB3 CYS 21 10.931 -2.375 6.918
137 H ARG 22 H ARG 22 14.945 -1.446 6.545
138 HA ARG 22 HA ARG 22 15.107 -2.555 9.216
139 HB2 ARG 22 HB2 ARG 22 16.907 -0.728 7.627
140 HB3 ARG 22 HB3 ARG 22 17.227 -1.156 9.302
141 HG2 ARG 22 HG2 ARG 22 17.047 -3.596 8.460
142 HG3 ARG 22 HG3 ARG 22 17.298 -2.882 6.866
143 HD2 ARG 22 HD2 ARG 22 19.443 -3.473 7.622
144 HD3 ARG 22 HD3 ARG 22 19.328 -1.731 7.870
145 HE ARG 22 HE ARG 22 18.528 -3.068 10.214
146 HH11 ARG 22 HH11 ARG 22 21.374 -2.396 8.325
147 HH12 ARG 22 HH12 ARG 22 22.450 -2.467 9.681
148 HH21 ARG 22 HH21 ARG 22 19.934 -3.165 12.007
149 HH22 ARG 22 HH22 ARG 22 21.630 -2.905 11.775
150 H SER 23 H SER 23 14.744 -1.502 11.099
151 HA SER 23 HA SER 23 13.191 0.906 11.009
152 HB2 SER 23 HB2 SER 23 12.989 -1.091 12.660
153 HB3 SER 23 HB3 SER 23 14.291 -0.290 13.539
154 HG SER 23 HG SER 23 11.801 0.221 13.813
155 H ASP 24 H ASP 24 16.450 0.355 10.900
156 HA ASP 24 HA ASP 24 17.356 2.481 12.601
157 HB2 ASP 24 HB2 ASP 24 18.636 0.357 11.761
158 HB3 ASP 24 HB3 ASP 24 19.001 1.360 10.360
159 H TRP 25 H TRP 25 17.402 2.052 9.058
160 HA TRP 25 HA TRP 25 17.549 4.968 8.773
161 HB2 TRP 25 HB2 TRP 25 18.409 2.662 7.108
162 HB3 TRP 25 HB3 TRP 25 17.874 4.107 6.254
163 HD1 TRP 25 HD1 TRP 25 20.286 3.419 9.234
164 HE1 TRP 25 HE1 TRP 25 22.382 4.873 8.894
165 HE3 TRP 25 HE3 TRP 25 18.949 5.768 4.895
166 HZ2 TRP 25 HZ2 TRP 25 23.342 6.766 7.034
167 HZ3 TRP 25 HZ3 TRP 25 20.513 7.387 3.900
168 HH2 TRP 25 HH2 TRP 25 22.663 7.875 4.949
169 H LYS 26 H LYS 26 15.346 2.426 8.618
170 HA LYS 26 HA LYS 26 13.160 2.294 8.002
171 HB2 LYS 26 HB2 LYS 26 13.280 5.257 7.448
172 HB3 LYS 26 HB3 LYS 26 11.867 4.296 7.862
173 HG2 LYS 26 HG2 LYS 26 12.948 3.858 10.089
174 HG3 LYS 26 HG3 LYS 26 14.156 5.068 9.649
175 HD2 LYS 26 HD2 LYS 26 11.230 5.703 9.513
176 HD3 LYS 26 HD3 LYS 26 12.103 5.797 11.045
177 HE2 LYS 26 HE2 LYS 26 12.915 7.237 8.522
178 HE3 LYS 26 HE3 LYS 26 11.968 7.960 9.822
179 HZ1 LYS 26 HZ1 LYS 26 14.064 6.977 11.165
180 HZ2 LYS 26 HZ2 LYS 26 13.969 8.564 10.589
181 HZ3 LYS 26 HZ3 LYS 26 14.801 7.390 9.699
182 H TYR 27 H TYR 27 14.823 1.465 6.096
183 HA TYR 27 HA TYR 27 13.389 2.140 3.669
184 HB2 TYR 27 HB2 TYR 27 15.216 2.852 2.385
185 HB3 TYR 27 HB3 TYR 27 15.427 3.700 3.913
186 HD1 TYR 27 HD2 TYR 27 16.740 1.953 5.683
187 HD2 TYR 27 HD1 TYR 27 17.231 2.230 1.466
188 HE1 TYR 27 HE2 TYR 27 19.006 1.021 5.891
189 HE2 TYR 27 HE1 TYR 27 19.498 1.298 1.662
190 HH TYR 27 HH TYR 27 20.601 -0.369 4.033
191 H CYS 28 H CYS 28 13.368 0.497 2.173
192 HA CYS 28 HA CYS 28 13.713 -2.112 3.028
193 HB2 CYS 28 HB2 CYS 28 13.428 -0.843 0.332
194 HB3 CYS 28 HB3 CYS 28 13.804 -2.560 0.435
195 H ALA 29 H ALA 29 15.238 -3.735 2.538
196 HA ALA 29 HA ALA 29 17.859 -2.792 1.600
197 HB1 ALA 29 HB1 ALA 29 18.913 -4.221 3.372
198 HB2 ALA 29 HB2 ALA 29 18.079 -2.785 3.967
199 HB3 ALA 29 HB3 ALA 29 17.316 -4.369 4.106
200 H TRP 30 H TRP 30 19.029 -4.239 0.402
201 HA TRP 30 HA TRP 30 17.582 -6.426 -0.749
202 HB2 TRP 30 HB2 TRP 30 20.146 -5.044 -1.242
203 HB3 TRP 30 HB3 TRP 30 20.106 -6.744 -1.700
204 HD1 TRP 30 HD1 TRP 30 19.810 -3.691 -3.386
205 HE1 TRP 30 HE1 TRP 30 18.180 -3.765 -5.376
206 HE3 TRP 30 HE3 TRP 30 17.257 -7.955 -2.186
207 HZ2 TRP 30 HZ2 TRP 30 16.088 -5.413 -6.313
208 HZ3 TRP 30 HZ3 TRP 30 15.456 -8.712 -3.682
209 HH2 TRP 30 HH2 TRP 30 14.885 -7.466 -5.702
210 H ASP 31 H ASP 31 18.630 -8.609 -0.987
211 HA ASP 31 HA ASP 31 19.219 -10.577 -0.004
212 HB2 ASP 31 HB2 ASP 31 21.255 -8.995 1.560
213 HB3 ASP 31 HB3 ASP 31 21.363 -10.664 1.006
214 H GLY 32 H GLY 32 17.183 -8.917 1.307
215 HA2 GLY 32 HA2 GLY 32 15.920 -8.942 3.223
216 HA3 GLY 32 HA3 GLY 32 16.712 -10.469 3.582
217 H THR 33 H THR 33 16.449 -9.673 5.820
218 HA THR 33 HA THR 33 17.821 -7.417 6.793
219 HB THR 33 HB THR 33 17.439 -9.852 8.498
220 HG1 THR 33 HG1 THR 33 15.302 -9.672 8.421
221 HG21 THR 33 HG21 THR 33 17.145 -6.879 8.927
222 HG22 THR 33 HG22 THR 33 18.399 -7.934 9.579
223 HG23 THR 33 HG23 THR 33 16.732 -8.098 10.132
224 H PHE 34 H PHE 34 19.725 -7.381 8.169
225 HA PHE 34 HA PHE 34 21.725 -9.375 7.328
226 HB2 PHE 34 HB2 PHE 34 21.853 -6.417 7.642
227 HB3 PHE 34 HB3 PHE 34 23.292 -7.342 8.058
228 HD1 PHE 34 HD2 PHE 34 24.494 -8.605 6.356
229 HD2 PHE 34 HD1 PHE 34 21.105 -6.225 5.373
230 HE1 PHE 34 HE2 PHE 34 25.113 -8.712 3.977
231 HE2 PHE 34 HE1 PHE 34 21.718 -6.328 2.992
232 HZ PHE 34 HZ PHE 34 23.725 -7.572 2.292
233 H SER 35 H SER 35 23.161 -10.189 8.845
234 HA SER 35 HA SER 35 22.278 -9.901 11.623
235 HB2 SER 35 HB2 SER 35 22.377 -12.184 10.669
236 HB3 SER 35 HB3 SER 35 24.106 -11.978 10.392
237 HG SER 35 HG SER 35 24.215 -12.805 12.334
Start of MODEL 18
1 H1 GLU 1 H GLU 1 0.866 0.933 -0.364
2 HA GLU 1 HA GLU 1 1.644 -0.456 -2.718
3 HB2 GLU 1 HB2 GLU 1 1.071 2.076 -2.327
4 HB3 GLU 1 HB3 GLU 1 2.790 2.210 -1.985
5 HG2 GLU 1 HG2 GLU 1 2.662 2.723 -4.231
6 HG3 GLU 1 HG3 GLU 1 3.116 1.020 -4.240
7 H CYS 2 H CYS 2 3.463 -1.509 -3.173
8 HA CYS 2 HA CYS 2 5.552 -1.655 -1.173
9 HB2 CYS 2 HB2 CYS 2 5.476 -3.046 -3.852
10 HB3 CYS 2 HB3 CYS 2 6.414 -3.499 -2.433
11 H ARG 3 H ARG 3 7.753 -1.210 -1.549
12 HA ARG 3 HA ARG 3 8.344 0.441 -3.908
13 HB2 ARG 3 HB2 ARG 3 9.357 1.125 -1.152
14 HB3 ARG 3 HB3 ARG 3 9.440 2.104 -2.610
15 HG2 ARG 3 HG2 ARG 3 6.722 1.619 -2.209
16 HG3 ARG 3 HG3 ARG 3 7.381 1.967 -0.610
17 HD2 ARG 3 HD2 ARG 3 8.406 4.019 -1.505
18 HD3 ARG 3 HD3 ARG 3 7.683 3.676 -3.076
19 HE ARG 3 HE ARG 3 5.793 3.814 -0.906
20 HH11 ARG 3 HH11 ARG 3 7.508 5.598 -3.354
21 HH12 ARG 3 HH12 ARG 3 6.354 6.889 -3.406
22 HH21 ARG 3 HH21 ARG 3 4.267 5.508 -0.965
23 HH22 ARG 3 HH22 ARG 3 4.512 6.837 -2.046
24 H TYR 4 H TYR 4 10.814 0.867 -3.993
25 HA TYR 4 HA TYR 4 12.096 -1.737 -3.820
26 HB2 TYR 4 HB2 TYR 4 13.988 -0.315 -4.982
27 HB3 TYR 4 HB3 TYR 4 12.574 -0.840 -5.889
28 HD1 TYR 4 HD2 TYR 4 14.156 2.038 -4.206
29 HD2 TYR 4 HD1 TYR 4 11.010 0.737 -6.758
30 HE1 TYR 4 HE2 TYR 4 13.673 4.377 -4.792
31 HE2 TYR 4 HE1 TYR 4 10.519 3.073 -7.352
32 HH TYR 4 HH TYR 4 12.093 5.348 -7.333
33 H LEU 5 H LEU 5 14.681 -1.314 -3.461
34 HA LEU 5 HA LEU 5 15.046 -1.121 -0.733
35 HB2 LEU 5 HB2 LEU 5 16.636 -2.074 -2.420
36 HB3 LEU 5 HB3 LEU 5 17.124 -0.423 -2.799
37 HG LEU 5 HG LEU 5 17.342 -1.457 0.003
38 HD11 LEU 5 HD11 LEU 5 19.319 -1.899 -2.228
39 HD12 LEU 5 HD12 LEU 5 18.461 -3.137 -1.310
40 HD13 LEU 5 HD13 LEU 5 19.665 -2.123 -0.513
41 HD21 LEU 5 HD21 LEU 5 17.706 0.862 -0.165
42 HD22 LEU 5 HD22 LEU 5 18.662 0.689 -1.637
43 HD23 LEU 5 HD23 LEU 5 19.314 0.141 -0.091
44 H PHE 6 H PHE 6 15.632 1.390 -3.184
45 HA PHE 6 HA PHE 6 16.281 3.370 -1.205
46 HB2 PHE 6 HB2 PHE 6 15.641 3.776 -4.132
47 HB3 PHE 6 HB3 PHE 6 16.472 4.906 -3.068
48 HD1 PHE 6 HD2 PHE 6 18.492 3.480 -1.740
49 HD2 PHE 6 HD1 PHE 6 17.051 2.898 -5.702
50 HE1 PHE 6 HE2 PHE 6 20.652 2.490 -2.376
51 HE2 PHE 6 HE1 PHE 6 19.209 1.906 -6.345
52 HZ PHE 6 HZ PHE 6 21.013 1.702 -4.682
53 H GLY 7 H GLY 7 13.424 2.004 -2.148
54 HA2 GLY 7 HA2 GLY 7 11.636 4.104 -2.487
55 HA3 GLY 7 HA3 GLY 7 11.229 2.554 -1.766
56 H GLY 8 H GLY 8 11.964 2.328 0.586
57 HA2 GLY 8 HA2 GLY 8 12.447 3.473 2.663
58 HA3 GLY 8 HA3 GLY 8 11.689 4.908 1.988
59 H CYS 9 H CYS 9 11.260 2.837 4.339
60 HA CYS 9 HA CYS 9 8.400 3.209 4.395
61 HB2 CYS 9 HB2 CYS 9 8.057 0.707 4.882
62 HB3 CYS 9 HB3 CYS 9 8.278 1.188 3.202
63 H SER 10 H SER 10 7.558 1.885 6.458
64 HA SER 10 HA SER 10 9.437 2.558 8.623
65 HB2 SER 10 HB2 SER 10 7.652 3.242 9.948
66 HB3 SER 10 HB3 SER 10 7.116 3.741 8.344
67 HG SER 10 HG SER 10 6.008 1.953 10.041
68 H SER 11 H SER 11 7.536 0.061 7.195
69 HA SER 11 HA SER 11 8.481 -1.804 9.262
70 HB2 SER 11 HB2 SER 11 6.087 -1.348 9.651
71 HB3 SER 11 HB3 SER 11 5.729 -1.848 7.998
72 HG SER 11 HG SER 11 5.445 -3.697 9.021
73 H THR 12 H THR 12 8.462 -4.087 8.511
74 HA THR 12 HA THR 12 9.762 -4.291 5.987
75 HB THR 12 HB THR 12 9.919 -6.676 6.431
76 HG1 THR 12 HG1 THR 12 8.058 -7.322 7.335
77 HG21 THR 12 HG21 THR 12 10.511 -6.168 9.118
78 HG22 THR 12 HG22 THR 12 10.751 -4.630 8.288
79 HG23 THR 12 HG23 THR 12 11.615 -6.069 7.747
80 H SER 13 H SER 13 6.493 -4.623 7.040
81 HA SER 13 HA SER 13 5.458 -6.349 5.108
82 HB2 SER 13 HB2 SER 13 3.307 -5.480 5.667
83 HB3 SER 13 HB3 SER 13 4.265 -5.416 7.147
84 HG SER 13 HG SER 13 3.345 -3.444 7.004
85 H ASP 14 H ASP 14 6.574 -3.100 4.841
86 HA ASP 14 HA ASP 14 5.144 -2.402 2.474
87 HB2 ASP 14 HB2 ASP 14 7.495 -1.258 3.942
88 HB3 ASP 14 HB3 ASP 14 7.102 -0.672 2.328
89 H CYS 15 H CYS 15 8.329 -3.776 3.134
90 HA CYS 15 HA CYS 15 9.270 -3.696 0.465
91 HB2 CYS 15 HB2 CYS 15 10.070 -5.484 2.771
92 HB3 CYS 15 HB3 CYS 15 10.954 -5.347 1.254
93 H CYS 16 H CYS 16 8.493 -4.779 -1.208
94 HA CYS 16 HA CYS 16 7.337 -7.451 -0.744
95 HB2 CYS 16 HB2 CYS 16 6.559 -5.442 -2.870
96 HB3 CYS 16 HB3 CYS 16 5.851 -7.040 -2.653
97 H LYS 17 H LYS 17 9.802 -5.711 -2.209
98 HA LYS 17 HA LYS 17 10.181 -7.616 -4.390
99 HB2 LYS 17 HB2 LYS 17 11.403 -4.973 -3.672
100 HB3 LYS 17 HB3 LYS 17 12.239 -6.053 -4.780
101 HG2 LYS 17 HG2 LYS 17 9.383 -5.266 -5.228
102 HG3 LYS 17 HG3 LYS 17 10.721 -4.248 -5.766
103 HD2 LYS 17 HD2 LYS 17 11.583 -6.022 -7.146
104 HD3 LYS 17 HD3 LYS 17 10.385 -7.152 -6.510
105 HE2 LYS 17 HE2 LYS 17 8.636 -6.134 -7.655
106 HE3 LYS 17 HE3 LYS 17 9.524 -4.625 -7.866
107 HZ1 LYS 17 HZ1 LYS 17 9.987 -5.372 -9.892
108 HZ2 LYS 17 HZ2 LYS 17 9.456 -6.939 -9.543
109 HZ3 LYS 17 HZ3 LYS 17 11.040 -6.480 -9.167
110 H HIS 18 H HIS 18 10.427 -8.648 -1.772
111 HA HIS 18 HA HIS 18 11.778 -10.026 -0.566
112 HB2 HIS 18 HB2 HIS 18 12.709 -10.204 -3.215
113 HB3 HIS 18 HB3 HIS 18 14.148 -10.038 -2.213
114 HD1 HIS 18 HD1 HIS 18 15.053 -12.215 -1.509
115 HD2 HIS 18 HD2 HIS 18 10.926 -12.349 -1.965
116 HE1 HIS 18 HE1 HIS 18 14.396 -14.586 -0.990
117 H LEU 19 H LEU 19 11.933 -7.095 -0.322
118 HA LEU 19 HA LEU 19 14.707 -6.740 0.569
119 HB2 LEU 19 HB2 LEU 19 12.504 -4.721 0.177
120 HB3 LEU 19 HB3 LEU 19 14.142 -4.348 0.708
121 HG LEU 19 HG LEU 19 13.883 -5.769 -1.874
122 HD11 LEU 19 HD11 LEU 19 13.278 -2.828 -1.696
123 HD12 LEU 19 HD12 LEU 19 12.031 -4.065 -1.851
124 HD13 LEU 19 HD13 LEU 19 13.236 -3.864 -3.123
125 HD21 LEU 19 HD21 LEU 19 15.498 -3.347 -1.109
126 HD22 LEU 19 HD22 LEU 19 15.770 -4.457 -2.453
127 HD23 LEU 19 HD23 LEU 19 16.025 -5.001 -0.794
128 H SER 20 H SER 20 15.009 -5.509 2.618
129 HA SER 20 HA SER 20 12.957 -6.247 4.601
130 HB2 SER 20 HB2 SER 20 14.711 -6.717 6.205
131 HB3 SER 20 HB3 SER 20 15.018 -7.650 4.740
132 HG SER 20 HG SER 20 16.420 -5.497 5.813
133 H CYS 21 H CYS 21 12.044 -4.526 5.483
134 HA CYS 21 HA CYS 21 13.232 -1.916 5.275
135 HB2 CYS 21 HB2 CYS 21 10.687 -2.680 5.263
136 HB3 CYS 21 HB3 CYS 21 10.847 -2.414 6.996
137 H ARG 22 H ARG 22 15.010 -1.682 6.535
138 HA ARG 22 HA ARG 22 15.117 -2.667 9.232
139 HB2 ARG 22 HB2 ARG 22 16.988 -0.800 7.763
140 HB3 ARG 22 HB3 ARG 22 17.316 -1.569 9.310
141 HG2 ARG 22 HG2 ARG 22 17.094 -3.780 8.163
142 HG3 ARG 22 HG3 ARG 22 17.008 -2.903 6.634
143 HD2 ARG 22 HD2 ARG 22 19.259 -3.472 6.812
144 HD3 ARG 22 HD3 ARG 22 19.207 -1.803 7.379
145 HE ARG 22 HE ARG 22 18.911 -3.420 9.610
146 HH11 ARG 22 HH11 ARG 22 21.307 -2.816 7.157
147 HH12 ARG 22 HH12 ARG 22 22.647 -3.197 8.187
148 HH21 ARG 22 HH21 ARG 22 20.667 -3.924 10.976
149 HH22 ARG 22 HH22 ARG 22 22.282 -3.828 10.359
150 H SER 23 H SER 23 14.912 -1.548 11.119
151 HA SER 23 HA SER 23 13.394 0.883 11.034
152 HB2 SER 23 HB2 SER 23 12.787 -0.584 12.779
153 HB3 SER 23 HB3 SER 23 14.464 -0.841 13.263
154 HG SER 23 HG SER 23 14.386 0.905 14.441
155 H ASP 24 H ASP 24 16.702 0.141 11.092
156 HA ASP 24 HA ASP 24 17.727 2.294 12.590
157 HB2 ASP 24 HB2 ASP 24 18.903 0.166 11.610
158 HB3 ASP 24 HB3 ASP 24 19.190 1.201 10.214
159 H TRP 25 H TRP 25 17.510 1.938 9.045
160 HA TRP 25 HA TRP 25 17.686 4.856 8.807
161 HB2 TRP 25 HB2 TRP 25 18.316 2.573 6.989
162 HB3 TRP 25 HB3 TRP 25 17.852 4.111 6.268
163 HD1 TRP 25 HD1 TRP 25 20.381 2.990 9.009
164 HE1 TRP 25 HE1 TRP 25 22.556 4.319 8.655
165 HE3 TRP 25 HE3 TRP 25 18.952 5.837 5.010
166 HZ2 TRP 25 HZ2 TRP 25 23.537 6.311 6.912
167 HZ3 TRP 25 HZ3 TRP 25 20.569 7.430 4.059
168 HH2 TRP 25 HH2 TRP 25 22.813 7.661 4.992
169 H LYS 26 H LYS 26 15.427 2.367 8.787
170 HA LYS 26 HA LYS 26 13.199 2.287 8.334
171 HB2 LYS 26 HB2 LYS 26 13.342 5.251 7.794
172 HB3 LYS 26 HB3 LYS 26 11.942 4.317 8.305
173 HG2 LYS 26 HG2 LYS 26 13.117 3.857 10.451
174 HG3 LYS 26 HG3 LYS 26 14.390 4.964 9.932
175 HD2 LYS 26 HD2 LYS 26 12.991 6.820 10.045
176 HD3 LYS 26 HD3 LYS 26 11.525 5.840 9.962
177 HE2 LYS 26 HE2 LYS 26 11.636 6.544 12.192
178 HE3 LYS 26 HE3 LYS 26 12.245 4.890 12.220
179 HZ1 LYS 26 HZ1 LYS 26 14.492 6.301 11.830
180 HZ2 LYS 26 HZ2 LYS 26 13.935 5.798 13.345
181 HZ3 LYS 26 HZ3 LYS 26 13.610 7.368 12.803
182 H TYR 27 H TYR 27 14.784 1.507 6.291
183 HA TYR 27 HA TYR 27 13.141 2.156 3.992
184 HB2 TYR 27 HB2 TYR 27 14.816 2.977 2.589
185 HB3 TYR 27 HB3 TYR 27 15.161 3.776 4.119
186 HD1 TYR 27 HD2 TYR 27 16.641 1.907 5.672
187 HD2 TYR 27 HD1 TYR 27 16.776 2.525 1.464
188 HE1 TYR 27 HE2 TYR 27 18.935 1.021 5.621
189 HE2 TYR 27 HE1 TYR 27 19.070 1.639 1.402
190 HH TYR 27 HH TYR 27 20.555 0.187 4.220
191 H CYS 28 H CYS 28 13.241 0.599 2.339
192 HA CYS 28 HA CYS 28 13.617 -2.035 3.138
193 HB2 CYS 28 HB2 CYS 28 13.300 -0.698 0.479
194 HB3 CYS 28 HB3 CYS 28 13.711 -2.410 0.535
195 H ALA 29 H ALA 29 15.158 -3.627 2.493
196 HA ALA 29 HA ALA 29 17.750 -2.614 1.572
197 HB1 ALA 29 HB1 ALA 29 17.222 -4.024 4.160
198 HB2 ALA 29 HB2 ALA 29 18.791 -4.149 3.363
199 HB3 ALA 29 HB3 ALA 29 18.175 -2.572 3.855
200 H TRP 30 H TRP 30 18.964 -4.068 0.407
201 HA TRP 30 HA TRP 30 17.535 -6.324 -0.666
202 HB2 TRP 30 HB2 TRP 30 19.993 -4.824 -1.325
203 HB3 TRP 30 HB3 TRP 30 20.016 -6.533 -1.750
204 HD1 TRP 30 HD1 TRP 30 19.472 -3.535 -3.471
205 HE1 TRP 30 HE1 TRP 30 17.742 -3.732 -5.367
206 HE3 TRP 30 HE3 TRP 30 17.212 -7.896 -2.055
207 HZ2 TRP 30 HZ2 TRP 30 15.690 -5.503 -6.157
208 HZ3 TRP 30 HZ3 TRP 30 15.373 -8.774 -3.435
209 HH2 TRP 30 HH2 TRP 30 14.629 -7.600 -5.443
210 H ASP 31 H ASP 31 18.679 -8.456 -0.924
211 HA ASP 31 HA ASP 31 19.482 -10.362 0.024
212 HB2 ASP 31 HB2 ASP 31 21.379 -8.620 1.591
213 HB3 ASP 31 HB3 ASP 31 21.624 -10.275 1.042
214 H GLY 32 H GLY 32 17.306 -8.911 1.335
215 HA2 GLY 32 HA2 GLY 32 16.059 -9.025 3.258
216 HA3 GLY 32 HA3 GLY 32 16.952 -10.501 3.593
217 H THR 33 H THR 33 16.540 -9.648 5.837
218 HA THR 33 HA THR 33 17.820 -7.357 6.826
219 HB THR 33 HB THR 33 17.462 -9.835 8.490
220 HG1 THR 33 HG1 THR 33 15.413 -7.997 7.740
221 HG21 THR 33 HG21 THR 33 16.497 -7.455 9.695
222 HG22 THR 33 HG22 THR 33 18.074 -7.098 8.991
223 HG23 THR 33 HG23 THR 33 17.904 -8.417 10.148
224 H PHE 34 H PHE 34 19.791 -7.028 7.832
225 HA PHE 34 HA PHE 34 21.839 -9.045 7.219
226 HB2 PHE 34 HB2 PHE 34 21.855 -6.064 7.346
227 HB3 PHE 34 HB3 PHE 34 23.341 -6.920 7.744
228 HD1 PHE 34 HD2 PHE 34 24.261 -8.563 6.036
229 HD2 PHE 34 HD1 PHE 34 21.252 -5.692 5.130
230 HE1 PHE 34 HE2 PHE 34 24.780 -8.780 3.640
231 HE2 PHE 34 HE1 PHE 34 21.765 -5.905 2.733
232 HZ PHE 34 HZ PHE 34 23.531 -7.451 1.985
233 H SER 35 H SER 35 22.758 -10.123 8.829
234 HA SER 35 HA SER 35 22.239 -9.272 11.574
235 HB2 SER 35 HB2 SER 35 21.694 -11.554 11.237
236 HB3 SER 35 HB3 SER 35 23.189 -11.863 10.355
237 HG SER 35 HG SER 35 23.911 -12.480 12.226
Start of MODEL 19
1 H1 GLU 1 H GLU 1 0.834 -0.898 -2.235
2 HA GLU 1 HA GLU 1 2.522 1.321 -1.884
3 HB2 GLU 1 HB2 GLU 1 1.375 -0.644 0.100
4 HB3 GLU 1 HB3 GLU 1 2.279 0.786 0.574
5 HG2 GLU 1 HG2 GLU 1 0.632 2.237 -0.249
6 HG3 GLU 1 HG3 GLU 1 -0.154 0.955 -1.168
7 H CYS 2 H CYS 2 3.823 -0.994 -3.150
8 HA CYS 2 HA CYS 2 5.915 -1.612 -1.184
9 HB2 CYS 2 HB2 CYS 2 5.528 -2.892 -3.892
10 HB3 CYS 2 HB3 CYS 2 6.520 -3.476 -2.559
11 H ARG 3 H ARG 3 8.046 -1.119 -1.547
12 HA ARG 3 HA ARG 3 8.691 0.369 -3.998
13 HB2 ARG 3 HB2 ARG 3 9.670 1.197 -1.268
14 HB3 ARG 3 HB3 ARG 3 9.836 2.074 -2.783
15 HG2 ARG 3 HG2 ARG 3 7.085 1.694 -2.417
16 HG3 ARG 3 HG3 ARG 3 7.729 2.173 -0.846
17 HD2 ARG 3 HD2 ARG 3 8.809 4.111 -1.887
18 HD3 ARG 3 HD3 ARG 3 8.154 3.631 -3.452
19 HE ARG 3 HE ARG 3 6.167 4.011 -1.401
20 HH11 ARG 3 HH11 ARG 3 8.038 5.522 -3.918
21 HH12 ARG 3 HH12 ARG 3 6.918 6.823 -4.149
22 HH21 ARG 3 HH21 ARG 3 4.684 5.719 -1.696
23 HH22 ARG 3 HH22 ARG 3 5.011 6.935 -2.884
24 H TYR 4 H TYR 4 11.168 0.735 -4.091
25 HA TYR 4 HA TYR 4 12.391 -1.879 -3.767
26 HB2 TYR 4 HB2 TYR 4 14.337 -0.549 -4.951
27 HB3 TYR 4 HB3 TYR 4 12.928 -1.083 -5.861
28 HD1 TYR 4 HD2 TYR 4 14.537 1.832 -4.268
29 HD2 TYR 4 HD1 TYR 4 11.423 0.487 -6.837
30 HE1 TYR 4 HE2 TYR 4 14.116 4.153 -4.963
31 HE2 TYR 4 HE1 TYR 4 10.994 2.804 -7.540
32 HH TYR 4 HH TYR 4 13.063 5.258 -7.144
33 H LEU 5 H LEU 5 14.978 -1.502 -3.376
34 HA LEU 5 HA LEU 5 15.298 -1.199 -0.652
35 HB2 LEU 5 HB2 LEU 5 16.886 -2.237 -2.333
36 HB3 LEU 5 HB3 LEU 5 17.461 -0.602 -2.655
37 HG LEU 5 HG LEU 5 17.511 -1.704 0.130
38 HD11 LEU 5 HD11 LEU 5 18.622 -3.400 -1.160
39 HD12 LEU 5 HD12 LEU 5 19.834 -2.444 -0.308
40 HD13 LEU 5 HD13 LEU 5 19.557 -2.184 -2.030
41 HD21 LEU 5 HD21 LEU 5 19.533 -0.185 0.182
42 HD22 LEU 5 HD22 LEU 5 17.968 0.610 0.013
43 HD23 LEU 5 HD23 LEU 5 19.012 0.410 -1.395
44 H PHE 6 H PHE 6 15.988 1.186 -3.199
45 HA PHE 6 HA PHE 6 16.657 3.235 -1.299
46 HB2 PHE 6 HB2 PHE 6 16.470 3.041 -4.266
47 HB3 PHE 6 HB3 PHE 6 16.367 4.643 -3.542
48 HD1 PHE 6 HD1 PHE 6 18.469 1.571 -3.490
49 HD2 PHE 6 HD2 PHE 6 18.305 5.805 -3.085
50 HE1 PHE 6 HE1 PHE 6 20.923 1.647 -3.324
51 HE2 PHE 6 HE2 PHE 6 20.758 5.888 -2.919
52 HZ PHE 6 HZ PHE 6 22.071 3.807 -3.040
53 H GLY 7 H GLY 7 13.780 1.901 -2.237
54 HA2 GLY 7 HA2 GLY 7 12.061 4.050 -2.670
55 HA3 GLY 7 HA3 GLY 7 11.591 2.523 -1.939
56 H GLY 8 H GLY 8 12.261 2.308 0.434
57 HA2 GLY 8 HA2 GLY 8 12.729 3.473 2.505
58 HA3 GLY 8 HA3 GLY 8 12.018 4.914 1.794
59 H CYS 9 H CYS 9 11.486 2.942 4.184
60 HA CYS 9 HA CYS 9 8.630 3.344 4.140
61 HB2 CYS 9 HB2 CYS 9 8.246 0.867 4.714
62 HB3 CYS 9 HB3 CYS 9 8.521 1.278 3.025
63 H SER 10 H SER 10 7.713 2.111 6.228
64 HA SER 10 HA SER 10 9.531 2.860 8.419
65 HB2 SER 10 HB2 SER 10 7.650 3.475 9.717
66 HB3 SER 10 HB3 SER 10 7.314 4.109 8.106
67 HG SER 10 HG SER 10 5.687 2.779 7.924
68 H SER 11 H SER 11 7.655 0.312 7.041
69 HA SER 11 HA SER 11 8.570 -1.481 9.181
70 HB2 SER 11 HB2 SER 11 5.843 -1.730 7.906
71 HB3 SER 11 HB3 SER 11 6.465 -2.601 9.307
72 HG SER 11 HG SER 11 5.030 -0.801 9.784
73 H THR 12 H THR 12 8.493 -3.796 8.511
74 HA THR 12 HA THR 12 9.794 -4.113 5.999
75 HB THR 12 HB THR 12 9.906 -6.480 6.523
76 HG1 THR 12 HG1 THR 12 8.280 -5.953 8.798
77 HG21 THR 12 HG21 THR 12 11.504 -5.071 7.671
78 HG22 THR 12 HG22 THR 12 10.983 -6.362 8.755
79 HG23 THR 12 HG23 THR 12 10.336 -4.732 8.948
80 H SER 13 H SER 13 6.516 -4.372 7.066
81 HA SER 13 HA SER 13 5.466 -6.119 5.156
82 HB2 SER 13 HB2 SER 13 4.354 -3.937 6.856
83 HB3 SER 13 HB3 SER 13 3.361 -4.522 5.522
84 HG SER 13 HG SER 13 2.997 -6.289 6.596
85 H ASP 14 H ASP 14 6.605 -2.885 4.855
86 HA ASP 14 HA ASP 14 5.161 -2.185 2.498
87 HB2 ASP 14 HB2 ASP 14 6.536 -0.720 4.251
88 HB3 ASP 14 HB3 ASP 14 7.816 -0.958 3.064
89 H CYS 15 H CYS 15 8.322 -3.617 3.134
90 HA CYS 15 HA CYS 15 9.224 -3.570 0.444
91 HB2 CYS 15 HB2 CYS 15 10.064 -5.348 2.744
92 HB3 CYS 15 HB3 CYS 15 10.931 -5.182 1.220
93 H CYS 16 H CYS 16 8.464 -4.705 -1.202
94 HA CYS 16 HA CYS 16 7.282 -7.352 -0.664
95 HB2 CYS 16 HB2 CYS 16 6.497 -5.448 -2.879
96 HB3 CYS 16 HB3 CYS 16 5.733 -6.987 -2.492
97 H LYS 17 H LYS 17 9.778 -5.700 -2.135
98 HA LYS 17 HA LYS 17 10.102 -7.609 -4.322
99 HB2 LYS 17 HB2 LYS 17 10.645 -4.926 -4.140
100 HB3 LYS 17 HB3 LYS 17 12.234 -5.638 -3.888
101 HG2 LYS 17 HG2 LYS 17 12.238 -5.416 -6.156
102 HG3 LYS 17 HG3 LYS 17 11.584 -7.049 -6.005
103 HD2 LYS 17 HD2 LYS 17 9.283 -5.946 -6.034
104 HD3 LYS 17 HD3 LYS 17 10.115 -4.489 -6.582
105 HE2 LYS 17 HE2 LYS 17 9.364 -5.597 -8.531
106 HE3 LYS 17 HE3 LYS 17 11.098 -5.896 -8.432
107 HZ1 LYS 17 HZ1 LYS 17 10.792 -8.086 -8.029
108 HZ2 LYS 17 HZ2 LYS 17 9.352 -7.816 -8.875
109 HZ3 LYS 17 HZ3 LYS 17 9.344 -7.863 -7.184
110 H HIS 18 H HIS 18 10.306 -8.650 -1.700
111 HA HIS 18 HA HIS 18 11.608 -10.074 -0.494
112 HB2 HIS 18 HB2 HIS 18 13.660 -9.846 -2.695
113 HB3 HIS 18 HB3 HIS 18 13.429 -11.181 -1.570
114 HD1 HIS 18 HD1 HIS 18 12.749 -10.284 -4.941
115 HD2 HIS 18 HD2 HIS 18 10.683 -12.382 -2.010
116 HE1 HIS 18 HE1 HIS 18 11.035 -11.649 -6.174
117 H LEU 19 H LEU 19 11.871 -7.140 -0.270
118 HA LEU 19 HA LEU 19 14.643 -6.912 0.675
119 HB2 LEU 19 HB2 LEU 19 12.600 -4.742 0.230
120 HB3 LEU 19 HB3 LEU 19 14.291 -4.509 0.670
121 HG LEU 19 HG LEU 19 13.798 -5.992 -1.836
122 HD11 LEU 19 HD11 LEU 19 13.383 -3.013 -1.743
123 HD12 LEU 19 HD12 LEU 19 12.065 -4.181 -1.827
124 HD13 LEU 19 HD13 LEU 19 13.241 -4.083 -3.137
125 HD21 LEU 19 HD21 LEU 19 15.604 -3.655 -1.261
126 HD22 LEU 19 HD22 LEU 19 15.743 -4.848 -2.552
127 HD23 LEU 19 HD23 LEU 19 16.035 -5.322 -0.878
128 H SER 20 H SER 20 14.966 -5.666 2.701
129 HA SER 20 HA SER 20 12.803 -6.200 4.631
130 HB2 SER 20 HB2 SER 20 15.754 -6.695 4.814
131 HB3 SER 20 HB3 SER 20 14.839 -6.352 6.282
132 HG SER 20 HG SER 20 13.379 -8.099 5.215
133 H CYS 21 H CYS 21 11.984 -4.400 5.443
134 HA CYS 21 HA CYS 21 13.285 -1.869 5.162
135 HB2 CYS 21 HB2 CYS 21 10.717 -2.508 5.256
136 HB3 CYS 21 HB3 CYS 21 10.944 -2.235 6.981
137 H ARG 22 H ARG 22 15.052 -1.505 6.364
138 HA ARG 22 HA ARG 22 15.408 -2.544 8.996
139 HB2 ARG 22 HB2 ARG 22 16.939 -0.353 7.582
140 HB3 ARG 22 HB3 ARG 22 17.460 -1.213 9.024
141 HG2 ARG 22 HG2 ARG 22 16.816 -2.863 6.660
142 HG3 ARG 22 HG3 ARG 22 18.266 -1.860 6.566
143 HD2 ARG 22 HD2 ARG 22 17.783 -3.533 8.991
144 HD3 ARG 22 HD3 ARG 22 18.393 -4.292 7.521
145 HE ARG 22 HE ARG 22 19.940 -2.018 8.103
146 HH11 ARG 22 HH11 ARG 22 19.321 -5.230 9.295
147 HH12 ARG 22 HH12 ARG 22 20.895 -5.415 9.994
148 HH21 ARG 22 HH21 ARG 22 22.016 -2.249 9.020
149 HH22 ARG 22 HH22 ARG 22 22.427 -3.718 9.838
150 H SER 23 H SER 23 14.963 -1.662 10.927
151 HA SER 23 HA SER 23 13.296 0.669 11.034
152 HB2 SER 23 HB2 SER 23 12.755 -0.014 13.144
153 HB3 SER 23 HB3 SER 23 13.442 -1.535 12.575
154 HG SER 23 HG SER 23 14.507 0.362 14.331
155 H ASP 24 H ASP 24 16.576 0.283 10.844
156 HA ASP 24 HA ASP 24 17.358 2.385 12.660
157 HB2 ASP 24 HB2 ASP 24 18.791 0.381 12.016
158 HB3 ASP 24 HB3 ASP 24 19.042 1.179 10.466
159 H TRP 25 H TRP 25 17.563 1.996 9.117
160 HA TRP 25 HA TRP 25 17.699 4.905 8.847
161 HB2 TRP 25 HB2 TRP 25 18.490 2.592 7.162
162 HB3 TRP 25 HB3 TRP 25 17.955 4.041 6.315
163 HD1 TRP 25 HD1 TRP 25 20.351 3.456 9.330
164 HE1 TRP 25 HE1 TRP 25 22.483 4.837 8.912
165 HE3 TRP 25 HE3 TRP 25 19.113 5.514 4.817
166 HZ2 TRP 25 HZ2 TRP 25 23.504 6.570 6.932
167 HZ3 TRP 25 HZ3 TRP 25 20.723 7.023 3.728
168 HH2 TRP 25 HH2 TRP 25 22.872 7.539 4.765
169 H LYS 26 H LYS 26 15.424 2.439 8.757
170 HA LYS 26 HA LYS 26 13.225 2.363 8.182
171 HB2 LYS 26 HB2 LYS 26 13.417 5.313 7.581
172 HB3 LYS 26 HB3 LYS 26 11.988 4.399 8.046
173 HG2 LYS 26 HG2 LYS 26 13.333 3.926 10.224
174 HG3 LYS 26 HG3 LYS 26 14.264 5.342 9.728
175 HD2 LYS 26 HD2 LYS 26 12.640 6.336 11.009
176 HD3 LYS 26 HD3 LYS 26 11.875 6.399 9.420
177 HE2 LYS 26 HE2 LYS 26 10.688 4.293 9.960
178 HE3 LYS 26 HE3 LYS 26 11.390 4.346 11.576
179 HZ1 LYS 26 HZ1 LYS 26 9.656 5.571 12.165
180 HZ2 LYS 26 HZ2 LYS 26 9.117 5.713 10.568
181 HZ3 LYS 26 HZ3 LYS 26 10.241 6.817 11.182
182 H TYR 27 H TYR 27 14.849 1.478 6.253
183 HA TYR 27 HA TYR 27 13.374 2.143 3.848
184 HB2 TYR 27 HB2 TYR 27 15.178 2.823 2.519
185 HB3 TYR 27 HB3 TYR 27 15.443 3.676 4.036
186 HD1 TYR 27 HD2 TYR 27 16.768 1.906 5.779
187 HD2 TYR 27 HD1 TYR 27 17.160 2.172 1.551
188 HE1 TYR 27 HE2 TYR 27 19.024 0.936 5.933
189 HE2 TYR 27 HE1 TYR 27 19.416 1.202 1.693
190 HH TYR 27 HH TYR 27 21.266 1.120 3.631
191 H CYS 28 H CYS 28 13.468 0.534 2.254
192 HA CYS 28 HA CYS 28 13.694 -2.091 3.144
193 HB2 CYS 28 HB2 CYS 28 13.570 -0.842 0.420
194 HB3 CYS 28 HB3 CYS 28 13.828 -2.576 0.581
195 H ALA 29 H ALA 29 15.174 -3.778 2.509
196 HA ALA 29 HA ALA 29 17.845 -2.889 1.702
197 HB1 ALA 29 HB1 ALA 29 17.320 -4.550 4.164
198 HB2 ALA 29 HB2 ALA 29 18.907 -4.140 3.510
199 HB3 ALA 29 HB3 ALA 29 17.859 -2.871 4.143
200 H TRP 30 H TRP 30 19.030 -4.401 0.586
201 HA TRP 30 HA TRP 30 17.547 -6.584 -0.547
202 HB2 TRP 30 HB2 TRP 30 20.126 -5.237 -1.063
203 HB3 TRP 30 HB3 TRP 30 20.068 -6.946 -1.486
204 HD1 TRP 30 HD1 TRP 30 19.808 -3.926 -3.235
205 HE1 TRP 30 HE1 TRP 30 18.181 -4.025 -5.227
206 HE3 TRP 30 HE3 TRP 30 17.209 -8.138 -1.953
207 HZ2 TRP 30 HZ2 TRP 30 16.075 -5.670 -6.135
208 HZ3 TRP 30 HZ3 TRP 30 15.403 -8.907 -3.437
209 HH2 TRP 30 HH2 TRP 30 14.849 -7.697 -5.484
210 H ASP 31 H ASP 31 18.572 -8.782 -0.733
211 HA ASP 31 HA ASP 31 19.133 -10.733 0.299
212 HB2 ASP 31 HB2 ASP 31 21.365 -9.345 0.170
213 HB3 ASP 31 HB3 ASP 31 21.192 -9.289 1.922
214 H GLY 32 H GLY 32 17.126 -9.018 1.577
215 HA2 GLY 32 HA2 GLY 32 15.851 -9.028 3.486
216 HA3 GLY 32 HA3 GLY 32 16.701 -10.502 3.924
217 H THR 33 H THR 33 16.778 -9.941 6.109
218 HA THR 33 HA THR 33 17.826 -7.473 7.046
219 HB THR 33 HB THR 33 17.881 -8.507 9.249
220 HG1 THR 33 HG1 THR 33 17.115 -10.819 9.253
221 HG21 THR 33 HG21 THR 33 15.404 -9.732 8.224
222 HG22 THR 33 HG22 THR 33 15.648 -8.039 7.792
223 HG23 THR 33 HG23 THR 33 15.633 -8.524 9.488
224 H PHE 34 H PHE 34 19.860 -6.856 7.502
225 HA PHE 34 HA PHE 34 22.021 -8.615 6.677
226 HB2 PHE 34 HB2 PHE 34 21.894 -5.693 7.413
227 HB3 PHE 34 HB3 PHE 34 23.420 -6.526 7.133
228 HD1 PHE 34 HD2 PHE 34 23.156 -8.107 4.859
229 HD2 PHE 34 HD1 PHE 34 21.269 -4.376 5.655
230 HE1 PHE 34 HE2 PHE 34 22.930 -7.709 2.441
231 HE2 PHE 34 HE1 PHE 34 21.039 -3.973 3.239
232 HZ PHE 34 HZ PHE 34 21.870 -5.640 1.629
233 H SER 35 H SER 35 23.948 -8.880 7.996
234 HA SER 35 HA SER 35 23.449 -8.673 10.887
235 HB2 SER 35 HB2 SER 35 22.986 -10.972 10.344
236 HB3 SER 35 HB3 SER 35 24.461 -11.098 9.387
237 HG SER 35 HG SER 35 24.334 -10.640 12.187
Start of MODEL 20
1 H1 GLU 1 H GLU 1 0.538 -1.350 -1.134
2 HA GLU 1 HA GLU 1 1.996 0.477 -2.851
3 HB2 GLU 1 HB2 GLU 1 0.998 0.523 -0.046
4 HB3 GLU 1 HB3 GLU 1 2.366 1.552 -0.445
5 HG2 GLU 1 HG2 GLU 1 0.642 2.987 -0.836
6 HG3 GLU 1 HG3 GLU 1 0.836 2.284 -2.440
7 H CYS 2 H CYS 2 3.573 -1.314 -3.328
8 HA CYS 2 HA CYS 2 5.570 -1.659 -1.206
9 HB2 CYS 2 HB2 CYS 2 5.485 -3.060 -3.880
10 HB3 CYS 2 HB3 CYS 2 6.417 -3.515 -2.458
11 H ARG 3 H ARG 3 7.773 -1.229 -1.576
12 HA ARG 3 HA ARG 3 8.379 0.412 -3.939
13 HB2 ARG 3 HB2 ARG 3 9.420 1.080 -1.191
14 HB3 ARG 3 HB3 ARG 3 9.486 2.065 -2.647
15 HG2 ARG 3 HG2 ARG 3 6.774 1.595 -2.215
16 HG3 ARG 3 HG3 ARG 3 7.451 1.921 -0.619
17 HD2 ARG 3 HD2 ARG 3 8.496 3.971 -1.528
18 HD3 ARG 3 HD3 ARG 3 7.708 3.655 -3.073
19 HE ARG 3 HE ARG 3 5.881 3.769 -0.861
20 HH11 ARG 3 HH11 ARG 3 7.615 5.640 -3.231
21 HH12 ARG 3 HH12 ARG 3 6.499 6.964 -3.193
22 HH21 ARG 3 HH21 ARG 3 4.405 5.507 -0.803
23 HH22 ARG 3 HH22 ARG 3 4.674 6.888 -1.811
24 H TYR 4 H TYR 4 10.853 0.809 -4.032
25 HA TYR 4 HA TYR 4 12.106 -1.810 -3.857
26 HB2 TYR 4 HB2 TYR 4 14.004 -0.414 -5.043
27 HB3 TYR 4 HB3 TYR 4 12.579 -0.934 -5.935
28 HD1 TYR 4 HD2 TYR 4 14.199 1.943 -4.286
29 HD2 TYR 4 HD1 TYR 4 11.026 0.651 -6.809
30 HE1 TYR 4 HE2 TYR 4 13.732 4.282 -4.887
31 HE2 TYR 4 HE1 TYR 4 10.550 2.986 -7.417
32 HH TYR 4 HH TYR 4 12.628 5.470 -6.934
33 H LEU 5 H LEU 5 14.699 -1.411 -3.521
34 HA LEU 5 HA LEU 5 15.089 -1.207 -0.798
35 HB2 LEU 5 HB2 LEU 5 16.657 -2.176 -2.499
36 HB3 LEU 5 HB3 LEU 5 17.156 -0.530 -2.882
37 HG LEU 5 HG LEU 5 17.385 -1.565 -0.081
38 HD11 LEU 5 HD11 LEU 5 19.702 -2.245 -0.618
39 HD12 LEU 5 HD12 LEU 5 19.338 -2.027 -2.329
40 HD13 LEU 5 HD13 LEU 5 18.483 -3.254 -1.396
41 HD21 LEU 5 HD21 LEU 5 17.761 0.755 -0.264
42 HD22 LEU 5 HD22 LEU 5 18.724 0.564 -1.729
43 HD23 LEU 5 HD23 LEU 5 19.361 0.018 -0.176
44 H PHE 6 H PHE 6 15.674 1.290 -3.264
45 HA PHE 6 HA PHE 6 16.351 3.273 -1.297
46 HB2 PHE 6 HB2 PHE 6 16.079 3.212 -4.269
47 HB3 PHE 6 HB3 PHE 6 16.016 4.774 -3.458
48 HD1 PHE 6 HD1 PHE 6 18.107 1.889 -4.277
49 HD2 PHE 6 HD2 PHE 6 17.962 5.692 -2.371
50 HE1 PHE 6 HE1 PHE 6 20.565 1.937 -4.193
51 HE2 PHE 6 HE2 PHE 6 20.420 5.746 -2.284
52 HZ PHE 6 HZ PHE 6 21.725 3.868 -3.196
53 H GLY 7 H GLY 7 13.477 1.929 -2.237
54 HA2 GLY 7 HA2 GLY 7 11.703 4.039 -2.565
55 HA3 GLY 7 HA3 GLY 7 11.289 2.495 -1.834
56 H GLY 8 H GLY 8 12.038 2.274 0.514
57 HA2 GLY 8 HA2 GLY 8 12.543 3.425 2.582
58 HA3 GLY 8 HA3 GLY 8 11.789 4.861 1.907
59 H CYS 9 H CYS 9 11.363 2.799 4.267
60 HA CYS 9 HA CYS 9 8.507 3.192 4.344
61 HB2 CYS 9 HB2 CYS 9 8.148 0.695 4.837
62 HB3 CYS 9 HB3 CYS 9 8.364 1.169 3.155
63 H SER 10 H SER 10 7.671 1.879 6.416
64 HA SER 10 HA SER 10 9.573 2.537 8.565
65 HB2 SER 10 HB2 SER 10 7.474 3.887 8.497
66 HB3 SER 10 HB3 SER 10 6.554 2.403 8.741
67 HG SER 10 HG SER 10 8.309 3.717 10.512
68 H SER 11 H SER 11 7.633 0.060 7.157
69 HA SER 11 HA SER 11 8.567 -1.811 9.224
70 HB2 SER 11 HB2 SER 11 5.783 -1.386 8.225
71 HB3 SER 11 HB3 SER 11 6.286 -3.026 8.632
72 HG SER 11 HG SER 11 6.921 -2.168 10.705
73 H THR 12 H THR 12 8.526 -4.094 8.480
74 HA THR 12 HA THR 12 9.814 -4.317 5.950
75 HB THR 12 HB THR 12 9.918 -6.718 6.400
76 HG1 THR 12 HG1 THR 12 8.520 -7.629 7.701
77 HG21 THR 12 HG21 THR 12 10.718 -6.339 8.977
78 HG22 THR 12 HG22 THR 12 10.746 -4.689 8.356
79 HG23 THR 12 HG23 THR 12 11.689 -5.947 7.559
80 H SER 13 H SER 13 6.547 -4.621 7.019
81 HA SER 13 HA SER 13 5.490 -6.343 5.097
82 HB2 SER 13 HB2 SER 13 4.148 -5.669 6.983
83 HB3 SER 13 HB3 SER 13 4.234 -3.975 6.500
84 HG SER 13 HG SER 13 2.989 -6.065 5.033
85 H ASP 14 H ASP 14 6.630 -3.105 4.817
86 HA ASP 14 HA ASP 14 5.194 -2.398 2.456
87 HB2 ASP 14 HB2 ASP 14 7.599 -1.278 3.868
88 HB3 ASP 14 HB3 ASP 14 7.122 -0.666 2.287
89 H CYS 15 H CYS 15 8.369 -3.803 3.100
90 HA CYS 15 HA CYS 15 9.295 -3.738 0.425
91 HB2 CYS 15 HB2 CYS 15 10.090 -5.530 2.730
92 HB3 CYS 15 HB3 CYS 15 10.966 -5.405 1.208
93 H CYS 16 H CYS 16 8.496 -4.815 -1.241
94 HA CYS 16 HA CYS 16 7.316 -7.474 -0.766
95 HB2 CYS 16 HB2 CYS 16 6.545 -5.461 -2.889
96 HB3 CYS 16 HB3 CYS 16 5.823 -7.051 -2.667
97 H LYS 17 H LYS 17 9.788 -5.760 -2.251
98 HA LYS 17 HA LYS 17 10.135 -7.675 -4.429
99 HB2 LYS 17 HB2 LYS 17 11.386 -5.041 -3.728
100 HB3 LYS 17 HB3 LYS 17 12.201 -6.131 -4.842
101 HG2 LYS 17 HG2 LYS 17 9.356 -5.265 -5.246
102 HG3 LYS 17 HG3 LYS 17 10.728 -4.335 -5.854
103 HD2 LYS 17 HD2 LYS 17 10.362 -7.256 -6.471
104 HD3 LYS 17 HD3 LYS 17 9.647 -5.985 -7.465
105 HE2 LYS 17 HE2 LYS 17 12.571 -5.971 -6.804
106 HE3 LYS 17 HE3 LYS 17 11.948 -6.945 -8.135
107 HZ1 LYS 17 HZ1 LYS 17 10.802 -4.608 -8.662
108 HZ2 LYS 17 HZ2 LYS 17 12.310 -5.060 -9.281
109 HZ3 LYS 17 HZ3 LYS 17 12.220 -4.062 -7.917
110 H HIS 18 H HIS 18 10.391 -8.698 -1.808
111 HA HIS 18 HA HIS 18 11.739 -10.082 -0.606
112 HB2 HIS 18 HB2 HIS 18 12.624 -10.306 -3.256
113 HB3 HIS 18 HB3 HIS 18 14.088 -10.107 -2.297
114 HD1 HIS 18 HD1 HIS 18 12.680 -12.751 -3.757
115 HD2 HIS 18 HD2 HIS 18 13.259 -11.949 0.278
116 HE1 HIS 18 HE1 HIS 18 12.658 -14.992 -2.616
117 H LEU 19 H LEU 19 11.913 -7.168 -0.345
118 HA LEU 19 HA LEU 19 14.703 -6.830 0.508
119 HB2 LEU 19 HB2 LEU 19 12.515 -4.793 0.119
120 HB3 LEU 19 HB3 LEU 19 14.157 -4.430 0.646
121 HG LEU 19 HG LEU 19 13.887 -5.859 -1.930
122 HD11 LEU 19 HD11 LEU 19 13.250 -3.953 -3.185
123 HD12 LEU 19 HD12 LEU 19 13.289 -2.916 -1.760
124 HD13 LEU 19 HD13 LEU 19 12.041 -4.152 -1.916
125 HD21 LEU 19 HD21 LEU 19 16.036 -5.105 -0.868
126 HD22 LEU 19 HD22 LEU 19 15.514 -3.445 -1.160
127 HD23 LEU 19 HD23 LEU 19 15.774 -4.540 -2.518
128 H SER 20 H SER 20 15.032 -5.591 2.550
129 HA SER 20 HA SER 20 12.990 -6.305 4.552
130 HB2 SER 20 HB2 SER 20 15.984 -6.565 4.647
131 HB3 SER 20 HB3 SER 20 15.048 -6.416 6.134
132 HG SER 20 HG SER 20 14.303 -8.377 5.869
133 H CYS 21 H CYS 21 12.095 -4.576 5.436
134 HA CYS 21 HA CYS 21 13.298 -1.974 5.207
135 HB2 CYS 21 HB2 CYS 21 10.749 -2.718 5.208
136 HB3 CYS 21 HB3 CYS 21 10.918 -2.453 6.941
137 H ARG 22 H ARG 22 15.081 -1.738 6.457
138 HA ARG 22 HA ARG 22 15.194 -2.713 9.159
139 HB2 ARG 22 HB2 ARG 22 17.063 -0.943 7.576
140 HB3 ARG 22 HB3 ARG 22 17.393 -1.518 9.204
141 HG2 ARG 22 HG2 ARG 22 16.947 -3.868 8.097
142 HG3 ARG 22 HG3 ARG 22 17.398 -2.996 6.630
143 HD2 ARG 22 HD2 ARG 22 19.398 -3.925 7.459
144 HD3 ARG 22 HD3 ARG 22 19.451 -2.216 7.891
145 HE ARG 22 HE ARG 22 18.330 -3.715 10.004
146 HH11 ARG 22 HH11 ARG 22 21.367 -3.076 8.428
147 HH12 ARG 22 HH12 ARG 22 22.316 -3.384 9.844
148 HH21 ARG 22 HH21 ARG 22 19.568 -4.123 11.876
149 HH22 ARG 22 HH22 ARG 22 21.292 -3.980 11.805
150 H SER 23 H SER 23 15.009 -1.580 11.040
151 HA SER 23 HA SER 23 13.514 0.864 10.947
152 HB2 SER 23 HB2 SER 23 13.206 -0.963 12.667
153 HB3 SER 23 HB3 SER 23 14.728 -0.442 13.389
154 HG SER 23 HG SER 23 12.678 1.424 12.916
155 H ASP 24 H ASP 24 16.815 0.090 10.997
156 HA ASP 24 HA ASP 24 17.871 2.239 12.477
157 HB2 ASP 24 HB2 ASP 24 19.121 0.188 11.698
158 HB3 ASP 24 HB3 ASP 24 19.176 0.916 10.095
159 H TRP 25 H TRP 25 17.617 1.883 8.934
160 HA TRP 25 HA TRP 25 17.808 4.801 8.695
161 HB2 TRP 25 HB2 TRP 25 18.447 2.514 6.890
162 HB3 TRP 25 HB3 TRP 25 17.953 4.036 6.152
163 HD1 TRP 25 HD1 TRP 25 20.512 3.005 8.901
164 HE1 TRP 25 HE1 TRP 25 22.667 4.357 8.510
165 HE3 TRP 25 HE3 TRP 25 19.027 5.743 4.847
166 HZ2 TRP 25 HZ2 TRP 25 23.611 6.325 6.720
167 HZ3 TRP 25 HZ3 TRP 25 20.616 7.338 3.856
168 HH2 TRP 25 HH2 TRP 25 22.860 7.622 4.774
169 H LYS 26 H LYS 26 15.540 2.323 8.692
170 HA LYS 26 HA LYS 26 13.311 2.249 8.245
171 HB2 LYS 26 HB2 LYS 26 13.447 5.207 7.679
172 HB3 LYS 26 HB3 LYS 26 12.061 4.275 8.231
173 HG2 LYS 26 HG2 LYS 26 13.493 3.796 10.318
174 HG3 LYS 26 HG3 LYS 26 14.469 5.160 9.769
175 HD2 LYS 26 HD2 LYS 26 11.487 5.292 10.193
176 HD3 LYS 26 HD3 LYS 26 12.675 5.745 11.418
177 HE2 LYS 26 HE2 LYS 26 13.634 7.307 9.624
178 HE3 LYS 26 HE3 LYS 26 12.117 7.040 8.767
179 HZ1 LYS 26 HZ1 LYS 26 11.178 7.661 11.152
180 HZ2 LYS 26 HZ2 LYS 26 11.516 8.831 9.979
181 HZ3 LYS 26 HZ3 LYS 26 12.628 8.530 11.218
182 H TYR 27 H TYR 27 14.878 1.447 6.201
183 HA TYR 27 HA TYR 27 13.235 2.100 3.904
184 HB2 TYR 27 HB2 TYR 27 14.915 2.896 2.491
185 HB3 TYR 27 HB3 TYR 27 15.267 3.703 4.015
186 HD1 TYR 27 HD2 TYR 27 16.739 1.847 5.583
187 HD2 TYR 27 HD1 TYR 27 16.867 2.411 1.368
188 HE1 TYR 27 HE2 TYR 27 19.025 0.942 5.538
189 HE2 TYR 27 HE1 TYR 27 19.154 1.506 1.311
190 HH TYR 27 HH TYR 27 20.507 -0.181 2.936
191 H CYS 28 H CYS 28 13.310 0.533 2.262
192 HA CYS 28 HA CYS 28 13.668 -2.100 3.073
193 HB2 CYS 28 HB2 CYS 28 13.345 -0.774 0.410
194 HB3 CYS 28 HB3 CYS 28 13.746 -2.487 0.469
195 H ALA 29 H ALA 29 15.190 -3.710 2.421
196 HA ALA 29 HA ALA 29 17.787 -2.722 1.488
197 HB1 ALA 29 HB1 ALA 29 18.819 -4.271 3.274
198 HB2 ALA 29 HB2 ALA 29 18.226 -2.685 3.768
199 HB3 ALA 29 HB3 ALA 29 17.256 -4.124 4.080
200 H TRP 30 H TRP 30 18.984 -4.187 0.320
201 HA TRP 30 HA TRP 30 17.529 -6.433 -0.745
202 HB2 TRP 30 HB2 TRP 30 19.990 -4.948 -1.425
203 HB3 TRP 30 HB3 TRP 30 20.000 -6.658 -1.848
204 HD1 TRP 30 HD1 TRP 30 19.458 -3.659 -3.568
205 HE1 TRP 30 HE1 TRP 30 17.712 -3.849 -5.450
206 HE3 TRP 30 HE3 TRP 30 17.185 -8.006 -2.129
207 HZ2 TRP 30 HZ2 TRP 30 15.644 -5.608 -6.221
208 HZ3 TRP 30 HZ3 TRP 30 15.331 -8.875 -3.493
209 HH2 TRP 30 HH2 TRP 30 14.577 -7.699 -5.496
210 H ASP 31 H ASP 31 18.657 -8.572 -1.011
211 HA ASP 31 HA ASP 31 19.433 -10.487 -0.057
212 HB2 ASP 31 HB2 ASP 31 21.404 -8.743 1.420
213 HB3 ASP 31 HB3 ASP 31 21.602 -10.422 0.927
214 H GLY 32 H GLY 32 17.243 -9.257 1.230
215 HA2 GLY 32 HA2 GLY 32 16.024 -9.391 3.170
216 HA3 GLY 32 HA3 GLY 32 17.102 -10.708 3.608
217 H THR 33 H THR 33 16.972 -10.035 5.800
218 HA THR 33 HA THR 33 17.964 -7.420 6.533
219 HB THR 33 HB THR 33 17.394 -9.746 8.374
220 HG1 THR 33 HG1 THR 33 15.311 -8.755 8.579
221 HG21 THR 33 HG21 THR 33 18.351 -8.269 9.797
222 HG22 THR 33 HG22 THR 33 16.765 -7.501 9.739
223 HG23 THR 33 HG23 THR 33 18.075 -6.897 8.725
224 H PHE 34 H PHE 34 19.913 -6.940 7.473
225 HA PHE 34 HA PHE 34 22.019 -8.917 7.084
226 HB2 PHE 34 HB2 PHE 34 22.038 -5.948 7.606
227 HB3 PHE 34 HB3 PHE 34 23.508 -6.916 7.654
228 HD1 PHE 34 HD2 PHE 34 24.429 -7.884 5.632
229 HD2 PHE 34 HD1 PHE 34 20.911 -5.490 5.527
230 HE1 PHE 34 HE2 PHE 34 24.659 -7.659 3.192
231 HE2 PHE 34 HE1 PHE 34 21.135 -5.262 3.088
232 HZ PHE 34 HZ PHE 34 23.010 -6.347 1.917
233 H SER 35 H SER 35 22.351 -10.261 8.731
234 HA SER 35 HA SER 35 22.183 -9.204 11.472
235 HB2 SER 35 HB2 SER 35 21.920 -12.027 10.419
236 HB3 SER 35 HB3 SER 35 21.996 -11.627 12.135
237 HG SER 35 HG SER 35 20.115 -10.354 11.834