Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
23479 | 2jvy RC | 15500 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA SER 1 HA SER 1 11.707 -2.448 5.940
2 HG SER 1 HG SER 1 9.628 -4.443 5.819
3 H1 SER 1 HT1 SER 1 12.122 -1.424 8.089
4 H2 SER 1 HT2 SER 1 11.266 -2.877 8.231
5 H3 SER 1 HT3 SER 1 10.456 -1.393 8.403
6 HB2 SER 1 HB2 SER 1 8.813 -1.966 6.691
7 HB3 SER 1 HB1 SER 1 9.380 -2.479 5.101
8 H SER 2 HN SER 2 12.159 -1.004 4.401
9 HA SER 2 HA SER 2 11.616 1.812 4.899
10 HG SER 2 HG SER 2 12.377 2.782 2.487
11 HB2 SER 2 HB2 SER 2 13.871 1.065 4.158
12 HB3 SER 2 HB1 SER 2 13.164 0.482 2.651
13 H ASP 3 HN ASP 3 9.576 -0.266 4.058
14 HA ASP 3 HA ASP 3 8.385 1.270 1.876
15 HB2 ASP 3 HB2 ASP 3 7.791 -0.731 0.645
16 HB3 ASP 3 HB1 ASP 3 9.533 -0.731 0.900
17 H PHE 4 HN PHE 4 6.084 0.349 1.518
18 HA PHE 4 HA PHE 4 4.895 -0.525 4.059
19 HD1 PHE 4 HD2 PHE 4 3.368 1.375 5.806
20 HD2 PHE 4 HD1 PHE 4 5.607 3.174 2.667
21 HE1 PHE 4 HE2 PHE 4 4.253 3.036 7.389
22 HE2 PHE 4 HE1 PHE 4 6.497 4.834 4.247
23 HZ PHE 4 HZ PHE 4 5.793 4.783 6.608
24 HB2 PHE 4 HB2 PHE 4 3.842 1.606 2.188
25 HB3 PHE 4 HB1 PHE 4 2.891 0.880 3.478
26 H CYS 5 HN CYS 5 4.187 -2.517 3.696
27 HA CYS 5 HA CYS 5 3.531 -3.411 1.032
28 HG CYS 5 HG CYS 5 6.065 -3.798 2.293
29 HB2 CYS 5 HB2 CYS 5 3.331 -4.926 3.636
30 HB3 CYS 5 HB1 CYS 5 3.386 -5.608 2.014
31 H CYS 6 HN CYS 6 1.537 -4.002 0.266
32 HA CYS 6 HA CYS 6 -0.768 -2.869 1.561
33 HB2 CYS 6 HB2 CYS 6 -0.586 -2.852 -0.896
34 HB3 CYS 6 HB1 CYS 6 -0.570 -4.613 -0.911
35 HA PRO 7 HA PRO 7 -1.597 -6.543 3.957
36 HB2 PRO 7 HB2 PRO 7 -4.001 -5.776 4.959
37 HB3 PRO 7 HB1 PRO 7 -2.462 -5.147 5.559
38 HG2 PRO 7 HG2 PRO 7 -4.396 -3.908 3.640
39 HG3 PRO 7 HG1 PRO 7 -3.509 -3.159 4.981
40 HD2 PRO 7 HD2 PRO 7 -2.722 -2.924 2.396
41 HD3 PRO 7 HD1 PRO 7 -1.573 -2.947 3.749
42 H LYS 8 HN LYS 8 -2.995 -5.691 1.127
43 HA LYS 8 HA LYS 8 -4.950 -7.895 1.174
44 HB2 LYS 8 HB2 LYS 8 -4.800 -5.562 -0.750
45 HB3 LYS 8 HB1 LYS 8 -6.052 -6.792 -0.699
46 HG2 LYS 8 HG2 LYS 8 -5.494 -4.863 1.541
47 HG3 LYS 8 HG1 LYS 8 -6.708 -4.611 0.285
48 HD2 LYS 8 HD2 LYS 8 -7.817 -6.700 0.972
49 HD3 LYS 8 HD1 LYS 8 -6.621 -6.892 2.258
50 HE2 LYS 8 HE2 LYS 8 -7.348 -4.793 3.259
51 HE3 LYS 8 HE1 LYS 8 -8.511 -4.559 1.958
52 HZ1 LYS 8 HZ1 LYS 8 -9.557 -5.426 3.956
53 HZ2 LYS 8 HZ2 LYS 8 -8.547 -6.791 3.917
54 HZ3 LYS 8 HZ3 LYS 8 -9.677 -6.540 2.678
55 H CYS 9 HN CYS 9 -1.881 -7.097 0.141
56 HA CYS 9 HA CYS 9 -1.944 -9.012 -2.070
57 HB2 CYS 9 HB2 CYS 9 -0.663 -6.299 -2.356
58 HB3 CYS 9 HB1 CYS 9 -0.936 -7.495 -3.617
59 H GLN 10 HN GLN 10 0.446 -9.197 -2.933
60 HA GLN 10 HA GLN 10 2.287 -9.109 -0.655
61 HB2 GLN 10 HB2 GLN 10 3.820 -10.414 -2.090
62 HB3 GLN 10 HB1 GLN 10 2.267 -11.210 -1.888
63 HG2 GLN 10 HG2 GLN 10 1.576 -10.545 -4.083
64 HG3 GLN 10 HG1 GLN 10 3.027 -9.563 -4.285
65 HE21 GLN 10 HE21 GLN 10 4.754 -11.524 -3.000
66 HE22 GLN 10 HE22 GLN 10 4.958 -12.807 -4.144
67 H TYR 11 HN TYR 11 1.200 -7.005 -2.744
68 HA TYR 11 HA TYR 11 3.563 -5.881 -3.887
69 HD1 TYR 11 HD1 TYR 11 2.907 -4.604 -6.485
70 HD2 TYR 11 HD2 TYR 11 1.545 -2.354 -3.142
71 HE1 TYR 11 HE1 TYR 11 3.732 -2.544 -7.541
72 HE2 TYR 11 HE2 TYR 11 2.370 -0.287 -4.187
73 HH TYR 11 HH TYR 11 3.273 -0.114 -7.442
74 HB2 TYR 11 HB2 TYR 11 1.316 -5.552 -4.881
75 HB3 TYR 11 HB1 TYR 11 0.831 -4.640 -3.455
76 H GLN 12 HN GLN 12 4.889 -4.382 -3.080
77 HA GLN 12 HA GLN 12 4.126 -3.064 -0.573
78 HB2 GLN 12 HB2 GLN 12 6.528 -3.133 0.067
79 HB3 GLN 12 HB1 GLN 12 5.791 -4.724 -0.042
80 HG2 GLN 12 HG2 GLN 12 6.780 -4.913 -2.342
81 HG3 GLN 12 HG1 GLN 12 7.669 -3.430 -2.002
82 HE21 GLN 12 HE21 GLN 12 7.975 -4.159 0.836
83 HE22 GLN 12 HE22 GLN 12 9.207 -5.376 0.867
84 H ALA 13 HN ALA 13 4.312 -0.904 -0.561
85 HA ALA 13 HA ALA 13 5.338 0.352 -3.010
86 HB1 ALA 13 HB1 ALA 13 3.482 1.496 -0.927
87 HB2 ALA 13 HB2 ALA 13 2.979 0.770 -2.452
88 HB3 ALA 13 HB3 ALA 13 3.937 2.251 -2.455
89 HA PRO 14 HA PRO 14 8.824 1.924 -0.840
90 HB2 PRO 14 HB2 PRO 14 9.325 4.141 -2.355
91 HB3 PRO 14 HB1 PRO 14 9.740 2.499 -2.856
92 HG2 PRO 14 HG2 PRO 14 7.377 4.172 -3.619
93 HG3 PRO 14 HG1 PRO 14 8.387 3.128 -4.635
94 HD2 PRO 14 HD2 PRO 14 5.974 2.338 -3.747
95 HD3 PRO 14 HD1 PRO 14 7.323 1.200 -3.938
96 H ASP 15 HN ASP 15 5.944 3.785 -1.235
97 HA ASP 15 HA ASP 15 6.632 5.338 1.141
98 HB2 ASP 15 HB2 ASP 15 7.175 6.728 -0.855
99 HB3 ASP 15 HB1 ASP 15 5.492 6.602 -1.358
100 H MET 16 HN MET 16 4.810 6.139 2.285
101 HA MET 16 HA MET 16 2.650 4.296 2.258
102 HB2 MET 16 HB2 MET 16 1.704 5.698 4.075
103 HB3 MET 16 HB1 MET 16 3.368 5.211 4.355
104 HG2 MET 16 HG2 MET 16 4.140 7.416 3.665
105 HG3 MET 16 HG1 MET 16 2.472 7.905 3.365
106 HE1 MET 16 HE1 MET 16 3.045 10.034 4.954
107 HE2 MET 16 HE2 MET 16 4.652 9.392 5.290
108 HE3 MET 16 HE3 MET 16 3.595 9.868 6.620
109 H ASP 17 HN ASP 17 3.056 7.534 0.954
110 HA ASP 17 HA ASP 17 0.277 7.980 0.451
111 HB2 ASP 17 HB2 ASP 17 1.844 9.858 0.488
112 HB3 ASP 17 HB1 ASP 17 2.723 9.179 -0.876
113 H THR 18 HN THR 18 2.940 6.559 -1.339
114 HA THR 18 HA THR 18 1.586 6.109 -3.764
115 HB THR 18 HB THR 18 3.776 4.397 -2.567
116 HG1 THR 18 HG1 THR 18 4.017 6.731 -4.205
117 HG21 THR 18 HG21 THR 18 4.359 3.975 -4.920
118 HG22 THR 18 HG22 THR 18 2.969 4.935 -5.430
119 HG23 THR 18 HG23 THR 18 2.726 3.429 -4.546
120 H LEU 19 HN LEU 19 1.904 4.181 -0.806
121 HA LEU 19 HA LEU 19 0.492 1.916 -1.726
122 HG LEU 19 HG LEU 19 -0.952 1.146 0.860
123 HB2 LEU 19 HB2 LEU 19 1.912 1.933 0.301
124 HB3 LEU 19 HB1 LEU 19 0.737 2.961 1.101
125 HD11 LEU 19 HD11 LEU 19 1.402 -0.496 -0.049
126 HD12 LEU 19 HD12 LEU 19 0.047 0.012 -1.055
127 HD13 LEU 19 HD13 LEU 19 -0.223 -1.094 0.291
128 HD21 LEU 19 HD21 LEU 19 -0.055 -0.260 2.631
129 HD22 LEU 19 HD22 LEU 19 0.301 1.440 2.938
130 HD23 LEU 19 HD23 LEU 19 1.565 0.369 2.328
131 H GLN 20 HN GLN 20 -0.531 4.920 -0.179
132 HA GLN 20 HA GLN 20 -3.228 4.231 0.230
133 HB2 GLN 20 HB2 GLN 20 -2.123 6.173 1.281
134 HB3 GLN 20 HB1 GLN 20 -2.027 6.958 -0.289
135 HG2 GLN 20 HG2 GLN 20 -3.859 7.831 1.069
136 HG3 GLN 20 HG1 GLN 20 -4.433 7.085 -0.420
137 HE21 GLN 20 HE21 GLN 20 -5.609 5.184 -0.317
138 HE22 GLN 20 HE22 GLN 20 -6.294 4.601 1.163
139 H ILE 21 HN ILE 21 -1.508 5.499 -2.563
140 HA ILE 21 HA ILE 21 -3.842 5.902 -4.167
141 HB ILE 21 HB ILE 21 -0.951 5.547 -4.994
142 HG12 ILE 21 HG12 ILE 21 -2.601 8.058 -4.642
143 HG13 ILE 21 HG11 ILE 21 -1.379 7.483 -3.513
144 HG21 ILE 21 HG21 ILE 21 -1.605 6.565 -7.110
145 HG22 ILE 21 HG22 ILE 21 -3.284 6.621 -6.572
146 HG23 ILE 21 HG23 ILE 21 -2.494 5.066 -6.831
147 HD11 ILE 21 HD11 ILE 21 -0.533 9.275 -4.924
148 HD12 ILE 21 HD12 ILE 21 -0.876 8.313 -6.362
149 HD13 ILE 21 HD13 ILE 21 0.340 7.768 -5.207
150 H HIS 22 HN HIS 22 -1.575 3.270 -3.647
151 HA HIS 22 HA HIS 22 -2.442 1.532 -5.676
152 HD1 HIS 22 HD1 HIS 22 -0.963 -1.086 -6.153
153 HD2 HIS 22 HD2 HIS 22 -1.997 -1.347 -2.131
154 HE1 HIS 22 HE1 HIS 22 -1.353 -3.540 -5.673
155 HB2 HIS 22 HB2 HIS 22 -0.371 1.060 -4.589
156 HB3 HIS 22 HB1 HIS 22 -1.124 1.054 -3.000
157 H VAL 23 HN VAL 23 -3.328 1.583 -2.214
158 HA VAL 23 HA VAL 23 -5.372 -0.378 -2.501
159 HB VAL 23 HB VAL 23 -6.088 0.300 -0.222
160 HG11 VAL 23 HG11 VAL 23 -3.117 -0.104 -0.567
161 HG12 VAL 23 HG12 VAL 23 -4.342 -1.373 -0.526
162 HG13 VAL 23 HG13 VAL 23 -4.035 -0.400 0.912
163 HG21 VAL 23 HG21 VAL 23 -5.587 2.680 -0.353
164 HG22 VAL 23 HG22 VAL 23 -3.863 2.319 -0.453
165 HG23 VAL 23 HG23 VAL 23 -4.763 1.935 1.015
166 H MET 24 HN MET 24 -5.343 3.133 -2.567
167 HA MET 24 HA MET 24 -6.928 4.708 -2.926
168 HB2 MET 24 HB2 MET 24 -6.958 3.387 -5.112
169 HB3 MET 24 HB1 MET 24 -8.417 2.617 -4.510
170 HG2 MET 24 HG2 MET 24 -8.979 4.435 -5.988
171 HG3 MET 24 HG1 MET 24 -9.507 4.795 -4.345
172 HE1 MET 24 HE1 MET 24 -8.571 8.341 -5.709
173 HE2 MET 24 HE2 MET 24 -9.814 7.353 -4.947
174 HE3 MET 24 HE3 MET 24 -9.321 7.022 -6.608
175 H GLU 25 HN GLU 25 -7.260 4.121 -0.560
176 HA GLU 25 HA GLU 25 -8.583 3.905 1.255
177 HB2 GLU 25 HB2 GLU 25 -10.835 4.250 -0.719
178 HB3 GLU 25 HB1 GLU 25 -10.984 4.365 1.027
179 HG2 GLU 25 HG2 GLU 25 -9.317 6.240 0.943
180 HG3 GLU 25 HG1 GLU 25 -9.474 6.201 -0.812
181 H PHE 26 HN PHE 26 -10.931 2.613 1.828
182 HA PHE 26 HA PHE 26 -10.573 -0.103 0.775
183 HD1 PHE 26 HD2 PHE 26 -7.788 -0.801 1.797
184 HD2 PHE 26 HD1 PHE 26 -9.490 2.081 4.433
185 HE1 PHE 26 HE2 PHE 26 -5.570 0.198 2.146
186 HE2 PHE 26 HE1 PHE 26 -7.278 3.085 4.773
187 HZ PHE 26 HZ PHE 26 -5.310 2.140 3.636
188 HB2 PHE 26 HB2 PHE 26 -10.763 0.225 3.745
189 HB3 PHE 26 HB1 PHE 26 -10.055 -1.090 2.812
190 H ILE 27 HN ILE 27 -12.238 -1.581 2.020
191 HA ILE 27 HA ILE 27 -14.819 -0.171 2.036
192 HB ILE 27 HB ILE 27 -14.482 -3.171 2.035
193 HG12 ILE 27 HG12 ILE 27 -14.628 -1.386 -0.407
194 HG13 ILE 27 HG11 ILE 27 -13.176 -2.217 0.143
195 HG21 ILE 27 HG21 ILE 27 -16.664 -1.356 1.003
196 HG22 ILE 27 HG22 ILE 27 -16.705 -2.256 2.519
197 HG23 ILE 27 HG23 ILE 27 -16.687 -3.119 0.981
198 HD11 ILE 27 HD11 ILE 27 -14.253 -3.386 -1.705
199 HD12 ILE 27 HD12 ILE 27 -15.724 -3.552 -0.746
200 HD13 ILE 27 HD13 ILE 27 -14.244 -4.365 -0.238
201 H GLU 28 HN GLU 28 -12.679 -0.390 4.150
202 HA GLU 28 HA GLU 28 -14.304 -1.577 6.299
203 HB2 GLU 28 HB2 GLU 28 -11.289 -1.509 6.014
204 HB3 GLU 28 HB1 GLU 28 -12.150 -2.105 7.427
205 HG2 GLU 28 HG2 GLU 28 -12.945 -3.975 6.315
206 HG3 GLU 28 HG1 GLU 28 -12.691 -3.260 4.725
Start of MODEL 2
1 HA SER 1 HA SER 1 13.089 -2.564 6.924
2 HG SER 1 HG SER 1 15.904 -3.363 7.154
3 H1 SER 1 HT1 SER 1 14.118 -2.688 4.753
4 H2 SER 1 HT2 SER 1 14.035 -1.007 4.589
5 H3 SER 1 HT3 SER 1 12.609 -1.922 4.653
6 HB2 SER 1 HB2 SER 1 15.444 -0.678 6.702
7 HB3 SER 1 HB1 SER 1 15.013 -1.687 8.084
8 H SER 2 HN SER 2 11.990 -0.261 5.110
9 HA SER 2 HA SER 2 10.840 1.249 7.281
10 HG SER 2 HG SER 2 13.542 1.746 5.092
11 HB2 SER 2 HB2 SER 2 11.533 3.455 6.152
12 HB3 SER 2 HB1 SER 2 12.780 2.616 7.073
13 H ASP 3 HN ASP 3 9.867 -0.548 5.402
14 HA ASP 3 HA ASP 3 8.895 0.994 3.113
15 HB2 ASP 3 HB2 ASP 3 8.787 -2.000 3.490
16 HB3 ASP 3 HB1 ASP 3 8.669 -1.094 1.984
17 H PHE 4 HN PHE 4 6.722 0.261 2.277
18 HA PHE 4 HA PHE 4 4.834 -0.274 4.478
19 HD1 PHE 4 HD2 PHE 4 3.414 2.123 5.474
20 HD2 PHE 4 HD1 PHE 4 6.089 3.059 2.296
21 HE1 PHE 4 HE2 PHE 4 4.173 4.111 6.703
22 HE2 PHE 4 HE1 PHE 4 6.851 5.053 3.520
23 HZ PHE 4 HZ PHE 4 5.893 5.580 5.729
24 HB2 PHE 4 HB2 PHE 4 4.354 1.420 2.006
25 HB3 PHE 4 HB1 PHE 4 3.185 1.096 3.278
26 H CYS 5 HN CYS 5 2.821 -1.427 3.669
27 HA CYS 5 HA CYS 5 3.237 -2.892 1.191
28 HG CYS 5 HG CYS 5 2.506 -6.580 2.577
29 HB2 CYS 5 HB2 CYS 5 4.547 -4.092 2.985
30 HB3 CYS 5 HB1 CYS 5 3.022 -4.396 3.808
31 H CYS 6 HN CYS 6 1.396 -4.051 0.482
32 HA CYS 6 HA CYS 6 -1.106 -3.194 1.755
33 HB2 CYS 6 HB2 CYS 6 -0.810 -2.810 -0.697
34 HB3 CYS 6 HB1 CYS 6 -0.693 -4.550 -0.923
35 HA PRO 7 HA PRO 7 -1.106 -7.325 3.491
36 HB2 PRO 7 HB2 PRO 7 -3.270 -7.045 5.067
37 HB3 PRO 7 HB1 PRO 7 -1.722 -6.282 5.454
38 HG2 PRO 7 HG2 PRO 7 -4.157 -5.088 4.182
39 HG3 PRO 7 HG1 PRO 7 -3.113 -4.418 5.450
40 HD2 PRO 7 HD2 PRO 7 -2.923 -3.711 2.824
41 HD3 PRO 7 HD1 PRO 7 -1.540 -3.688 3.937
42 H LYS 8 HN LYS 8 -2.896 -6.273 1.059
43 HA LYS 8 HA LYS 8 -4.649 -8.636 1.035
44 HB2 LYS 8 HB2 LYS 8 -5.278 -5.895 -0.085
45 HB3 LYS 8 HB1 LYS 8 -6.319 -7.308 -0.184
46 HG2 LYS 8 HG2 LYS 8 -6.627 -7.316 2.202
47 HG3 LYS 8 HG1 LYS 8 -5.451 -6.012 2.395
48 HD2 LYS 8 HD2 LYS 8 -6.905 -4.522 1.101
49 HD3 LYS 8 HD1 LYS 8 -8.081 -5.828 0.922
50 HE2 LYS 8 HE2 LYS 8 -8.379 -5.905 3.340
51 HE3 LYS 8 HE1 LYS 8 -7.178 -4.630 3.539
52 HZ1 LYS 8 HZ1 LYS 8 -9.735 -4.342 2.054
53 HZ2 LYS 8 HZ2 LYS 8 -8.596 -3.117 2.345
54 HZ3 LYS 8 HZ3 LYS 8 -9.460 -3.792 3.636
55 H CYS 9 HN CYS 9 -1.974 -7.395 -0.244
56 HA CYS 9 HA CYS 9 -2.338 -8.720 -2.814
57 HB2 CYS 9 HB2 CYS 9 -1.288 -5.890 -2.592
58 HB3 CYS 9 HB1 CYS 9 -1.443 -6.829 -4.072
59 H GLN 10 HN GLN 10 -0.239 -9.074 -3.896
60 HA GLN 10 HA GLN 10 1.943 -9.435 -2.014
61 HB2 GLN 10 HB2 GLN 10 1.989 -9.938 -4.999
62 HB3 GLN 10 HB1 GLN 10 3.085 -10.591 -3.792
63 HG2 GLN 10 HG2 GLN 10 1.770 -12.401 -4.117
64 HG3 GLN 10 HG1 GLN 10 0.847 -11.617 -2.837
65 HE21 GLN 10 HE21 GLN 10 0.992 -12.381 -6.205
66 HE22 GLN 10 HE22 GLN 10 -0.649 -11.976 -6.587
67 H TYR 11 HN TYR 11 1.435 -6.821 -2.086
68 HA TYR 11 HA TYR 11 3.471 -5.667 -3.862
69 HD1 TYR 11 HD1 TYR 11 2.802 -4.386 -6.386
70 HD2 TYR 11 HD2 TYR 11 1.515 -2.168 -2.989
71 HE1 TYR 11 HE1 TYR 11 3.643 -2.320 -7.419
72 HE2 TYR 11 HE2 TYR 11 2.356 -0.101 -4.009
73 HH TYR 11 HH TYR 11 3.317 0.050 -7.317
74 HB2 TYR 11 HB2 TYR 11 1.167 -5.308 -4.775
75 HB3 TYR 11 HB1 TYR 11 0.773 -4.419 -3.306
76 H GLN 12 HN GLN 12 4.899 -4.522 -2.805
77 HA GLN 12 HA GLN 12 4.097 -3.208 -0.296
78 HB2 GLN 12 HB2 GLN 12 6.513 -3.504 0.409
79 HB3 GLN 12 HB1 GLN 12 5.546 -4.972 0.364
80 HG2 GLN 12 HG2 GLN 12 6.513 -5.468 -1.871
81 HG3 GLN 12 HG1 GLN 12 7.567 -4.069 -1.674
82 HE21 GLN 12 HE21 GLN 12 8.146 -6.933 -1.960
83 HE22 GLN 12 HE22 GLN 12 9.139 -7.341 -0.597
84 H ALA 13 HN ALA 13 4.315 -1.068 -0.327
85 HA ALA 13 HA ALA 13 5.691 0.108 -2.634
86 HB1 ALA 13 HB1 ALA 13 3.313 0.631 -2.389
87 HB2 ALA 13 HB2 ALA 13 4.316 2.076 -2.256
88 HB3 ALA 13 HB3 ALA 13 3.635 1.339 -0.805
89 HA PRO 14 HA PRO 14 8.780 1.675 0.143
90 HB2 PRO 14 HB2 PRO 14 10.096 3.254 -1.590
91 HB3 PRO 14 HB1 PRO 14 10.187 1.492 -1.681
92 HG2 PRO 14 HG2 PRO 14 8.536 3.391 -3.302
93 HG3 PRO 14 HG1 PRO 14 9.446 1.965 -3.832
94 HD2 PRO 14 HD2 PRO 14 6.746 1.960 -3.401
95 HD3 PRO 14 HD1 PRO 14 7.770 0.521 -3.234
96 H ASP 15 HN ASP 15 6.153 3.298 -0.958
97 HA ASP 15 HA ASP 15 6.832 5.736 0.518
98 HB2 ASP 15 HB2 ASP 15 7.163 6.292 -1.831
99 HB3 ASP 15 HB1 ASP 15 5.575 5.649 -2.230
100 H MET 16 HN MET 16 5.036 6.829 1.405
101 HA MET 16 HA MET 16 2.927 5.020 2.170
102 HB2 MET 16 HB2 MET 16 3.988 6.570 3.789
103 HB3 MET 16 HB1 MET 16 3.326 7.930 2.893
104 HG2 MET 16 HG2 MET 16 1.053 7.060 3.351
105 HG3 MET 16 HG1 MET 16 1.780 5.806 4.356
106 HE1 MET 16 HE1 MET 16 0.951 9.628 3.997
107 HE2 MET 16 HE2 MET 16 2.709 9.590 3.878
108 HE3 MET 16 HE3 MET 16 1.937 10.323 5.284
109 H ASP 17 HN ASP 17 3.208 8.017 0.305
110 HA ASP 17 HA ASP 17 0.400 8.392 -0.024
111 HB2 ASP 17 HB2 ASP 17 1.957 10.253 -0.269
112 HB3 ASP 17 HB1 ASP 17 2.728 9.457 -1.639
113 H THR 18 HN THR 18 2.942 7.051 -2.060
114 HA THR 18 HA THR 18 1.428 6.313 -4.270
115 HB THR 18 HB THR 18 3.747 4.781 -3.086
116 HG1 THR 18 HG1 THR 18 4.151 7.073 -3.433
117 HG21 THR 18 HG21 THR 18 4.192 4.134 -5.408
118 HG22 THR 18 HG22 THR 18 2.735 4.983 -5.921
119 HG23 THR 18 HG23 THR 18 2.610 3.571 -4.869
120 H LEU 19 HN LEU 19 1.967 4.589 -1.208
121 HA LEU 19 HA LEU 19 0.600 2.224 -1.976
122 HG LEU 19 HG LEU 19 -0.608 1.514 0.746
123 HB2 LEU 19 HB2 LEU 19 2.191 2.245 -0.118
124 HB3 LEU 19 HB1 LEU 19 1.137 3.321 0.786
125 HD11 LEU 19 HD11 LEU 19 1.674 -0.144 -0.308
126 HD12 LEU 19 HD12 LEU 19 0.190 0.262 -1.170
127 HD13 LEU 19 HD13 LEU 19 0.125 -0.769 0.261
128 HD21 LEU 19 HD21 LEU 19 0.809 1.911 2.696
129 HD22 LEU 19 HD22 LEU 19 2.012 0.798 2.043
130 HD23 LEU 19 HD23 LEU 19 0.421 0.200 2.507
131 H GLN 20 HN GLN 20 -0.423 5.219 -0.420
132 HA GLN 20 HA GLN 20 -2.959 4.348 0.422
133 HB2 GLN 20 HB2 GLN 20 -1.993 7.102 -0.334
134 HB3 GLN 20 HB1 GLN 20 -3.574 6.782 0.366
135 HG2 GLN 20 HG2 GLN 20 -0.894 6.293 1.638
136 HG3 GLN 20 HG1 GLN 20 -2.081 7.516 2.087
137 HE21 GLN 20 HE21 GLN 20 -1.192 4.182 2.259
138 HE22 GLN 20 HE22 GLN 20 -2.379 3.698 3.419
139 H ILE 21 HN ILE 21 -1.847 5.665 -2.654
140 HA ILE 21 HA ILE 21 -4.389 5.754 -3.903
141 HB ILE 21 HB ILE 21 -1.680 5.341 -5.185
142 HG12 ILE 21 HG12 ILE 21 -3.254 7.873 -4.678
143 HG13 ILE 21 HG11 ILE 21 -1.802 7.384 -3.811
144 HG21 ILE 21 HG21 ILE 21 -2.728 6.199 -7.215
145 HG22 ILE 21 HG22 ILE 21 -4.273 6.320 -6.375
146 HG23 ILE 21 HG23 ILE 21 -3.545 4.738 -6.659
147 HD11 ILE 21 HD11 ILE 21 -1.322 9.080 -5.483
148 HD12 ILE 21 HD12 ILE 21 -1.965 8.031 -6.747
149 HD13 ILE 21 HD13 ILE 21 -0.511 7.562 -5.864
150 H HIS 22 HN HIS 22 -1.886 3.281 -3.665
151 HA HIS 22 HA HIS 22 -3.074 1.331 -5.298
152 HD1 HIS 22 HD1 HIS 22 -1.035 -1.081 -6.014
153 HD2 HIS 22 HD2 HIS 22 -2.017 -1.346 -1.981
154 HE1 HIS 22 HE1 HIS 22 -1.222 -3.547 -5.493
155 HB2 HIS 22 HB2 HIS 22 -0.758 1.137 -4.670
156 HB3 HIS 22 HB1 HIS 22 -1.168 1.099 -2.959
157 H VAL 23 HN VAL 23 -3.394 1.953 -1.812
158 HA VAL 23 HA VAL 23 -5.236 -0.289 -1.565
159 HB VAL 23 HB VAL 23 -5.270 0.225 0.840
160 HG11 VAL 23 HG11 VAL 23 -2.940 -0.364 1.314
161 HG12 VAL 23 HG12 VAL 23 -2.501 0.048 -0.343
162 HG13 VAL 23 HG13 VAL 23 -3.590 -1.303 -0.028
163 HG21 VAL 23 HG21 VAL 23 -3.358 2.431 0.110
164 HG22 VAL 23 HG22 VAL 23 -3.728 1.901 1.751
165 HG23 VAL 23 HG23 VAL 23 -4.988 2.630 0.755
166 H MET 24 HN MET 24 -5.649 2.666 -2.731
167 HA MET 24 HA MET 24 -7.852 3.678 -1.268
168 HB2 MET 24 HB2 MET 24 -6.500 5.041 -2.836
169 HB3 MET 24 HB1 MET 24 -7.168 4.131 -4.183
170 HG2 MET 24 HG2 MET 24 -8.271 6.280 -3.939
171 HG3 MET 24 HG1 MET 24 -9.396 4.953 -3.653
172 HE1 MET 24 HE1 MET 24 -11.148 6.527 -2.509
173 HE2 MET 24 HE2 MET 24 -10.110 7.925 -2.790
174 HE3 MET 24 HE3 MET 24 -10.777 7.630 -1.184
175 H GLU 25 HN GLU 25 -7.551 1.020 -3.363
176 HA GLU 25 HA GLU 25 -10.165 0.900 -4.433
177 HB2 GLU 25 HB2 GLU 25 -8.295 -1.373 -3.768
178 HB3 GLU 25 HB1 GLU 25 -9.710 -1.479 -4.801
179 HG2 GLU 25 HG2 GLU 25 -8.633 0.187 -6.315
180 HG3 GLU 25 HG1 GLU 25 -7.175 0.044 -5.329
181 H PHE 26 HN PHE 26 -9.010 0.549 -1.273
182 HA PHE 26 HA PHE 26 -11.379 -1.015 -0.473
183 HD1 PHE 26 HD2 PHE 26 -10.385 -3.199 -1.555
184 HD2 PHE 26 HD1 PHE 26 -6.841 -1.600 0.169
185 HE1 PHE 26 HE2 PHE 26 -9.043 -4.354 -3.253
186 HE2 PHE 26 HE1 PHE 26 -5.491 -2.754 -1.528
187 HZ PHE 26 HZ PHE 26 -6.588 -4.141 -3.237
188 HB2 PHE 26 HB2 PHE 26 -8.845 -1.103 1.123
189 HB3 PHE 26 HB1 PHE 26 -10.115 -2.314 0.975
190 H ILE 27 HN ILE 27 -12.421 -0.380 1.412
191 HA ILE 27 HA ILE 27 -11.736 2.315 2.315
192 HB ILE 27 HB ILE 27 -13.941 2.446 3.318
193 HG12 ILE 27 HG12 ILE 27 -14.101 -0.014 3.896
194 HG13 ILE 27 HG11 ILE 27 -15.573 0.715 3.272
195 HG21 ILE 27 HG21 ILE 27 -14.019 1.434 0.484
196 HG22 ILE 27 HG22 ILE 27 -13.743 3.095 1.008
197 HG23 ILE 27 HG23 ILE 27 -15.310 2.333 1.279
198 HD11 ILE 27 HD11 ILE 27 -13.657 -1.023 1.729
199 HD12 ILE 27 HD12 ILE 27 -15.121 -0.282 1.081
200 HD13 ILE 27 HD13 ILE 27 -15.239 -1.501 2.352
201 H GLU 28 HN GLU 28 -11.568 -0.945 3.328
202 HA GLU 28 HA GLU 28 -10.707 -0.038 5.987
203 HB2 GLU 28 HB2 GLU 28 -12.975 -1.053 6.137
204 HB3 GLU 28 HB1 GLU 28 -12.328 -2.536 5.450
205 HG2 GLU 28 HG2 GLU 28 -10.778 -2.688 7.376
206 HG3 GLU 28 HG1 GLU 28 -11.582 -1.288 8.082
Start of MODEL 3
1 HA SER 1 HA SER 1 14.522 -0.141 8.816
2 HG SER 1 HG SER 1 14.115 0.388 11.968
3 H1 SER 1 HT1 SER 1 12.041 1.467 8.772
4 H2 SER 1 HT2 SER 1 13.290 1.549 7.630
5 H3 SER 1 HT3 SER 1 13.572 2.017 9.238
6 HB2 SER 1 HB2 SER 1 12.048 -0.431 10.533
7 HB3 SER 1 HB1 SER 1 13.606 -1.235 10.738
8 H SER 2 HN SER 2 11.027 0.001 8.236
9 HA SER 2 HA SER 2 11.334 -2.198 6.320
10 HG SER 2 HG SER 2 11.297 -3.673 8.234
11 HB2 SER 2 HB2 SER 2 9.043 -1.943 8.287
12 HB3 SER 2 HB1 SER 2 9.252 -3.218 7.085
13 H ASP 3 HN ASP 3 9.718 -2.175 4.634
14 HA ASP 3 HA ASP 3 8.814 0.549 4.075
15 HB2 ASP 3 HB2 ASP 3 8.636 -0.147 1.755
16 HB3 ASP 3 HB1 ASP 3 10.219 -0.583 2.384
17 H PHE 4 HN PHE 4 6.761 0.196 2.352
18 HA PHE 4 HA PHE 4 4.678 -0.730 4.204
19 HD1 PHE 4 HD2 PHE 4 3.292 1.416 5.310
20 HD2 PHE 4 HD1 PHE 4 6.001 2.848 2.357
21 HE1 PHE 4 HE2 PHE 4 3.901 3.294 6.781
22 HE2 PHE 4 HE1 PHE 4 6.617 4.723 3.825
23 HZ PHE 4 HZ PHE 4 5.534 4.965 6.029
24 HB2 PHE 4 HB2 PHE 4 4.499 1.127 1.824
25 HB3 PHE 4 HB1 PHE 4 3.171 0.711 2.898
26 H CYS 5 HN CYS 5 2.965 -2.039 3.495
27 HA CYS 5 HA CYS 5 3.087 -3.075 0.768
28 HG CYS 5 HG CYS 5 2.358 -6.967 1.811
29 HB2 CYS 5 HB2 CYS 5 4.452 -4.605 2.194
30 HB3 CYS 5 HB1 CYS 5 3.024 -4.905 3.178
31 H CYS 6 HN CYS 6 1.117 -3.750 -0.032
32 HA CYS 6 HA CYS 6 -1.232 -2.897 1.393
33 HB2 CYS 6 HB2 CYS 6 -1.100 -2.661 -1.045
34 HB3 CYS 6 HB1 CYS 6 -0.937 -4.402 -1.221
35 HA PRO 7 HA PRO 7 -1.338 -6.656 3.723
36 HB2 PRO 7 HB2 PRO 7 -4.068 -5.800 4.458
37 HB3 PRO 7 HB1 PRO 7 -2.664 -6.102 5.488
38 HG2 PRO 7 HG2 PRO 7 -3.527 -3.617 5.035
39 HG3 PRO 7 HG1 PRO 7 -1.794 -3.981 5.151
40 HD2 PRO 7 HD2 PRO 7 -3.486 -3.543 2.712
41 HD3 PRO 7 HD1 PRO 7 -1.853 -2.937 3.075
42 H LYS 8 HN LYS 8 -3.840 -5.795 1.446
43 HA LYS 8 HA LYS 8 -4.892 -8.532 1.504
44 HB2 LYS 8 HB2 LYS 8 -6.018 -6.084 0.141
45 HB3 LYS 8 HB1 LYS 8 -6.801 -7.654 0.264
46 HG2 LYS 8 HG2 LYS 8 -6.824 -7.398 2.726
47 HG3 LYS 8 HG1 LYS 8 -6.164 -5.773 2.525
48 HD2 LYS 8 HD2 LYS 8 -8.556 -5.633 2.810
49 HD3 LYS 8 HD1 LYS 8 -8.135 -5.181 1.158
50 HE2 LYS 8 HE2 LYS 8 -8.775 -7.392 0.369
51 HE3 LYS 8 HE1 LYS 8 -9.137 -7.895 2.020
52 HZ1 LYS 8 HZ1 LYS 8 -11.169 -7.327 0.944
53 HZ2 LYS 8 HZ2 LYS 8 -10.564 -5.835 0.424
54 HZ3 LYS 8 HZ3 LYS 8 -10.839 -6.103 2.070
55 H CYS 9 HN CYS 9 -2.440 -7.158 0.059
56 HA CYS 9 HA CYS 9 -2.753 -8.729 -2.391
57 HB2 CYS 9 HB2 CYS 9 -1.843 -5.838 -2.350
58 HB3 CYS 9 HB1 CYS 9 -1.758 -6.899 -3.749
59 H GLN 10 HN GLN 10 -0.456 -8.463 -3.618
60 HA GLN 10 HA GLN 10 1.662 -8.381 -1.575
61 HB2 GLN 10 HB2 GLN 10 1.459 -10.081 -4.059
62 HB3 GLN 10 HB1 GLN 10 2.996 -9.781 -3.260
63 HG2 GLN 10 HG2 GLN 10 0.595 -11.033 -1.940
64 HG3 GLN 10 HG1 GLN 10 1.953 -11.927 -2.622
65 HE21 GLN 10 HE21 GLN 10 2.438 -12.839 -0.607
66 HE22 GLN 10 HE22 GLN 10 3.196 -11.917 0.652
67 H TYR 11 HN TYR 11 1.974 -6.223 -1.755
68 HA TYR 11 HA TYR 11 3.424 -5.287 -4.072
69 HD1 TYR 11 HD1 TYR 11 2.551 -3.758 -6.456
70 HD2 TYR 11 HD2 TYR 11 1.518 -1.767 -2.843
71 HE1 TYR 11 HE1 TYR 11 3.237 -1.618 -7.448
72 HE2 TYR 11 HE2 TYR 11 2.201 0.379 -3.819
73 HH TYR 11 HH TYR 11 2.695 0.852 -7.083
74 HB2 TYR 11 HB2 TYR 11 1.122 -4.825 -4.762
75 HB3 TYR 11 HB1 TYR 11 0.805 -4.019 -3.230
76 H GLN 12 HN GLN 12 5.071 -4.162 -3.319
77 HA GLN 12 HA GLN 12 4.849 -3.049 -0.601
78 HB2 GLN 12 HB2 GLN 12 7.206 -4.339 -1.984
79 HB3 GLN 12 HB1 GLN 12 7.293 -3.533 -0.422
80 HG2 GLN 12 HG2 GLN 12 5.855 -5.139 0.578
81 HG3 GLN 12 HG1 GLN 12 5.465 -5.850 -0.986
82 HE21 GLN 12 HE21 GLN 12 6.116 -7.885 -0.282
83 HE22 GLN 12 HE22 GLN 12 7.786 -8.301 -0.072
84 H ALA 13 HN ALA 13 4.972 -0.937 -0.516
85 HA ALA 13 HA ALA 13 6.241 0.511 -2.742
86 HB1 ALA 13 HB1 ALA 13 4.043 1.444 -0.894
87 HB2 ALA 13 HB2 ALA 13 3.826 0.886 -2.554
88 HB3 ALA 13 HB3 ALA 13 4.735 2.364 -2.233
89 HA PRO 14 HA PRO 14 9.170 2.075 0.187
90 HB2 PRO 14 HB2 PRO 14 10.086 4.208 -1.203
91 HB3 PRO 14 HB1 PRO 14 10.494 2.542 -1.627
92 HG2 PRO 14 HG2 PRO 14 8.456 4.362 -2.842
93 HG3 PRO 14 HG1 PRO 14 9.575 3.243 -3.642
94 HD2 PRO 14 HD2 PRO 14 6.949 2.673 -3.201
95 HD3 PRO 14 HD1 PRO 14 8.214 1.432 -3.283
96 H ASP 15 HN ASP 15 6.701 4.203 -1.154
97 HA ASP 15 HA ASP 15 6.900 5.850 1.272
98 HB2 ASP 15 HB2 ASP 15 6.033 7.749 -0.013
99 HB3 ASP 15 HB1 ASP 15 7.527 7.146 -0.718
100 H MET 16 HN MET 16 4.752 7.020 1.703
101 HA MET 16 HA MET 16 2.840 4.868 2.066
102 HB2 MET 16 HB2 MET 16 3.491 6.352 3.942
103 HB3 MET 16 HB1 MET 16 2.793 7.717 3.083
104 HG2 MET 16 HG2 MET 16 0.593 6.551 3.160
105 HG3 MET 16 HG1 MET 16 1.340 5.323 4.180
106 HE1 MET 16 HE1 MET 16 0.912 9.755 5.392
107 HE2 MET 16 HE2 MET 16 0.290 9.093 3.879
108 HE3 MET 16 HE3 MET 16 2.028 9.195 4.149
109 H ASP 17 HN ASP 17 3.181 7.758 0.171
110 HA ASP 17 HA ASP 17 0.441 8.253 -0.337
111 HB2 ASP 17 HB2 ASP 17 2.899 8.997 -1.934
112 HB3 ASP 17 HB1 ASP 17 1.276 9.583 -2.287
113 H THR 18 HN THR 18 2.932 6.548 -2.184
114 HA THR 18 HA THR 18 1.302 5.741 -4.324
115 HB THR 18 HB THR 18 3.690 4.257 -3.202
116 HG1 THR 18 HG1 THR 18 4.349 6.350 -3.577
117 HG21 THR 18 HG21 THR 18 2.575 4.399 -6.007
118 HG22 THR 18 HG22 THR 18 2.399 3.033 -4.905
119 HG23 THR 18 HG23 THR 18 3.997 3.493 -5.492
120 H LEU 19 HN LEU 19 1.999 4.260 -1.199
121 HA LEU 19 HA LEU 19 0.646 1.826 -1.589
122 HG LEU 19 HG LEU 19 -0.615 1.428 1.028
123 HB2 LEU 19 HB2 LEU 19 2.176 2.257 0.293
124 HB3 LEU 19 HB1 LEU 19 1.028 3.403 0.961
125 HD11 LEU 19 HD11 LEU 19 1.982 -0.064 0.734
126 HD12 LEU 19 HD12 LEU 19 0.604 -0.108 -0.367
127 HD13 LEU 19 HD13 LEU 19 0.457 -0.773 1.260
128 HD21 LEU 19 HD21 LEU 19 0.211 2.376 3.040
129 HD22 LEU 19 HD22 LEU 19 1.787 1.622 2.824
130 HD23 LEU 19 HD23 LEU 19 0.377 0.625 3.180
131 H GLN 20 HN GLN 20 -0.399 4.929 -0.282
132 HA GLN 20 HA GLN 20 -2.963 4.286 0.543
133 HB2 GLN 20 HB2 GLN 20 -1.763 6.403 1.010
134 HB3 GLN 20 HB1 GLN 20 -2.013 6.892 -0.658
135 HG2 GLN 20 HG2 GLN 20 -4.394 6.975 -0.325
136 HG3 GLN 20 HG1 GLN 20 -4.220 6.339 1.312
137 HE21 GLN 20 HE21 GLN 20 -2.008 8.634 -0.091
138 HE22 GLN 20 HE22 GLN 20 -2.436 9.972 0.919
139 H ILE 21 HN ILE 21 -1.860 5.368 -2.652
140 HA ILE 21 HA ILE 21 -4.457 5.411 -3.809
141 HB ILE 21 HB ILE 21 -1.765 5.197 -5.167
142 HG12 ILE 21 HG12 ILE 21 -3.523 7.562 -4.495
143 HG13 ILE 21 HG11 ILE 21 -1.950 7.198 -3.799
144 HG21 ILE 21 HG21 ILE 21 -2.904 6.002 -7.168
145 HG22 ILE 21 HG22 ILE 21 -4.444 5.992 -6.309
146 HG23 ILE 21 HG23 ILE 21 -3.600 4.474 -6.625
147 HD11 ILE 21 HD11 ILE 21 -1.762 8.975 -5.413
148 HD12 ILE 21 HD12 ILE 21 -2.501 7.964 -6.654
149 HD13 ILE 21 HD13 ILE 21 -0.920 7.542 -5.999
150 H HIS 22 HN HIS 22 -1.956 2.953 -3.508
151 HA HIS 22 HA HIS 22 -3.195 1.092 -5.274
152 HD1 HIS 22 HD1 HIS 22 -1.179 -1.273 -6.271
153 HD2 HIS 22 HD2 HIS 22 -2.152 -1.773 -2.259
154 HE1 HIS 22 HE1 HIS 22 -1.514 -3.757 -5.926
155 HB2 HIS 22 HB2 HIS 22 -0.834 0.858 -4.804
156 HB3 HIS 22 HB1 HIS 22 -1.151 0.695 -3.079
157 H VAL 23 HN VAL 23 -3.240 1.501 -1.730
158 HA VAL 23 HA VAL 23 -4.850 -0.839 -1.334
159 HB VAL 23 HB VAL 23 -4.433 1.422 0.631
160 HG11 VAL 23 HG11 VAL 23 -5.087 -1.492 1.065
161 HG12 VAL 23 HG12 VAL 23 -6.221 -0.150 1.221
162 HG13 VAL 23 HG13 VAL 23 -4.850 -0.279 2.325
163 HG21 VAL 23 HG21 VAL 23 -2.749 -1.038 0.170
164 HG22 VAL 23 HG22 VAL 23 -2.570 0.087 1.518
165 HG23 VAL 23 HG23 VAL 23 -2.274 0.635 -0.132
166 H MET 24 HN MET 24 -5.542 2.209 -2.502
167 HA MET 24 HA MET 24 -8.092 2.716 -1.408
168 HB2 MET 24 HB2 MET 24 -6.624 4.313 -2.714
169 HB3 MET 24 HB1 MET 24 -7.156 3.485 -4.170
170 HG2 MET 24 HG2 MET 24 -8.426 5.514 -3.820
171 HG3 MET 24 HG1 MET 24 -9.465 4.099 -3.689
172 HE1 MET 24 HE1 MET 24 -7.907 6.395 0.004
173 HE2 MET 24 HE2 MET 24 -7.508 6.869 -1.649
174 HE3 MET 24 HE3 MET 24 -6.909 5.340 -1.000
175 H GLU 25 HN GLU 25 -7.046 0.259 -3.467
176 HA GLU 25 HA GLU 25 -9.221 -0.357 -5.071
177 HB2 GLU 25 HB2 GLU 25 -7.531 -2.282 -3.476
178 HB3 GLU 25 HB1 GLU 25 -8.542 -2.704 -4.849
179 HG2 GLU 25 HG2 GLU 25 -7.147 -1.486 -6.341
180 HG3 GLU 25 HG1 GLU 25 -6.223 -0.803 -5.001
181 H PHE 26 HN PHE 26 -8.880 -0.590 -1.617
182 HA PHE 26 HA PHE 26 -11.244 -2.325 -1.489
183 HD1 PHE 26 HD2 PHE 26 -10.339 -4.304 -2.048
184 HD2 PHE 26 HD1 PHE 26 -7.004 -2.834 0.150
185 HE1 PHE 26 HE2 PHE 26 -8.839 -5.667 -3.429
186 HE2 PHE 26 HE1 PHE 26 -5.495 -4.199 -1.234
187 HZ PHE 26 HZ PHE 26 -6.411 -5.628 -3.020
188 HB2 PHE 26 HB2 PHE 26 -9.108 -2.010 0.620
189 HB3 PHE 26 HB1 PHE 26 -10.350 -3.261 0.519
190 H ILE 27 HN ILE 27 -11.820 0.265 -1.811
191 HA ILE 27 HA ILE 27 -12.650 1.225 0.809
192 HB ILE 27 HB ILE 27 -13.983 2.904 -0.726
193 HG12 ILE 27 HG12 ILE 27 -12.664 3.453 -2.775
194 HG13 ILE 27 HG11 ILE 27 -11.784 1.946 -2.574
195 HG21 ILE 27 HG21 ILE 27 -12.259 3.542 0.825
196 HG22 ILE 27 HG22 ILE 27 -12.025 4.395 -0.700
197 HG23 ILE 27 HG23 ILE 27 -11.005 3.013 -0.296
198 HD11 ILE 27 HD11 ILE 27 -13.520 1.746 -4.252
199 HD12 ILE 27 HD12 ILE 27 -14.738 2.226 -3.071
200 HD13 ILE 27 HD13 ILE 27 -13.869 0.705 -2.870
201 H GLU 28 HN GLU 28 -13.552 -1.110 -1.219
202 HA GLU 28 HA GLU 28 -16.332 -1.059 -0.264
203 HB2 GLU 28 HB2 GLU 28 -15.282 -2.300 -2.814
204 HB3 GLU 28 HB1 GLU 28 -16.942 -2.389 -2.243
205 HG2 GLU 28 HG2 GLU 28 -17.169 0.017 -2.475
206 HG3 GLU 28 HG1 GLU 28 -15.489 0.135 -2.995
Start of MODEL 4
1 HA SER 1 HA SER 1 8.259 1.709 9.383
2 HG SER 1 HG SER 1 10.812 -1.314 8.785
3 H1 SER 1 HT1 SER 1 7.878 -0.764 7.813
4 H2 SER 1 HT2 SER 1 6.660 0.330 8.258
5 H3 SER 1 HT3 SER 1 7.491 -0.549 9.448
6 HB2 SER 1 HB2 SER 1 10.706 1.175 8.962
7 HB3 SER 1 HB1 SER 1 9.878 0.103 10.093
8 H SER 2 HN SER 2 10.130 0.467 6.685
9 HA SER 2 HA SER 2 9.414 2.884 5.177
10 HG SER 2 HG SER 2 12.918 0.854 4.802
11 HB2 SER 2 HB2 SER 2 11.564 2.332 3.919
12 HB3 SER 2 HB1 SER 2 11.753 2.820 5.604
13 H ASP 3 HN ASP 3 9.081 -0.510 5.194
14 HA ASP 3 HA ASP 3 8.450 -0.573 2.340
15 HB2 ASP 3 HB2 ASP 3 8.698 -2.824 4.347
16 HB3 ASP 3 HB1 ASP 3 8.258 -3.037 2.658
17 H PHE 4 HN PHE 4 6.490 0.344 2.121
18 HA PHE 4 HA PHE 4 4.373 -0.271 4.023
19 HD1 PHE 4 HD2 PHE 4 3.458 2.242 5.118
20 HD2 PHE 4 HD1 PHE 4 6.336 2.831 2.036
21 HE1 PHE 4 HE2 PHE 4 4.549 3.983 6.473
22 HE2 PHE 4 HE1 PHE 4 7.429 4.572 3.386
23 HZ PHE 4 HZ PHE 4 6.536 5.149 5.607
24 HB2 PHE 4 HB2 PHE 4 4.379 1.567 1.615
25 HB3 PHE 4 HB1 PHE 4 3.090 1.439 2.806
26 H CYS 5 HN CYS 5 3.579 -2.261 3.679
27 HA CYS 5 HA CYS 5 3.232 -3.218 0.943
28 HG CYS 5 HG CYS 5 5.351 -4.333 4.051
29 HB2 CYS 5 HB2 CYS 5 2.806 -4.711 3.536
30 HB3 CYS 5 HB1 CYS 5 2.968 -5.402 1.926
31 H CYS 6 HN CYS 6 1.281 -3.844 0.080
32 HA CYS 6 HA CYS 6 -1.135 -2.817 1.298
33 HB2 CYS 6 HB2 CYS 6 -0.807 -2.799 -1.179
34 HB3 CYS 6 HB1 CYS 6 -0.802 -4.558 -1.167
35 HA PRO 7 HA PRO 7 -1.478 -6.465 3.828
36 HB2 PRO 7 HB2 PRO 7 -4.265 -5.528 4.212
37 HB3 PRO 7 HB1 PRO 7 -3.013 -5.863 5.413
38 HG2 PRO 7 HG2 PRO 7 -3.706 -3.359 4.833
39 HG3 PRO 7 HG1 PRO 7 -2.012 -3.789 5.138
40 HD2 PRO 7 HD2 PRO 7 -3.409 -3.314 2.526
41 HD3 PRO 7 HD1 PRO 7 -1.792 -2.788 3.051
42 H LYS 8 HN LYS 8 -3.624 -5.679 1.213
43 HA LYS 8 HA LYS 8 -4.760 -8.377 1.211
44 HB2 LYS 8 HB2 LYS 8 -5.432 -6.027 -0.566
45 HB3 LYS 8 HB1 LYS 8 -6.318 -7.542 -0.457
46 HG2 LYS 8 HG2 LYS 8 -6.839 -7.033 1.898
47 HG3 LYS 8 HG1 LYS 8 -6.030 -5.477 1.711
48 HD2 LYS 8 HD2 LYS 8 -7.624 -4.901 -0.086
49 HD3 LYS 8 HD1 LYS 8 -8.458 -6.432 0.195
50 HE2 LYS 8 HE2 LYS 8 -8.133 -4.168 2.160
51 HE3 LYS 8 HE1 LYS 8 -9.615 -4.632 1.328
52 HZ1 LYS 8 HZ1 LYS 8 -8.134 -6.309 3.283
53 HZ2 LYS 8 HZ2 LYS 8 -9.556 -6.753 2.482
54 HZ3 LYS 8 HZ3 LYS 8 -9.574 -5.467 3.587
55 H CYS 9 HN CYS 9 -1.998 -7.171 0.221
56 HA CYS 9 HA CYS 9 -1.874 -8.857 -2.173
57 HB2 CYS 9 HB2 CYS 9 -0.783 -6.032 -2.018
58 HB3 CYS 9 HB1 CYS 9 -0.519 -7.150 -3.348
59 H GLN 10 HN GLN 10 0.590 -8.904 -2.868
60 HA GLN 10 HA GLN 10 2.252 -9.073 -0.435
61 HB2 GLN 10 HB2 GLN 10 2.731 -10.325 -3.154
62 HB3 GLN 10 HB1 GLN 10 3.724 -10.551 -1.718
63 HG2 GLN 10 HG2 GLN 10 1.822 -11.615 -0.588
64 HG3 GLN 10 HG1 GLN 10 0.863 -11.429 -2.056
65 HE21 GLN 10 HE21 GLN 10 1.365 -12.686 -3.870
66 HE22 GLN 10 HE22 GLN 10 2.324 -14.122 -3.733
67 H TYR 11 HN TYR 11 1.392 -6.957 -2.509
68 HA TYR 11 HA TYR 11 3.780 -6.029 -3.757
69 HD1 TYR 11 HD1 TYR 11 3.279 -4.803 -6.299
70 HD2 TYR 11 HD2 TYR 11 1.683 -2.394 -3.173
71 HE1 TYR 11 HE1 TYR 11 4.069 -2.785 -7.455
72 HE2 TYR 11 HE2 TYR 11 2.478 -0.372 -4.322
73 HH TYR 11 HH TYR 11 4.263 0.222 -5.993
74 HB2 TYR 11 HB2 TYR 11 1.549 -5.654 -4.716
75 HB3 TYR 11 HB1 TYR 11 1.101 -4.689 -3.314
76 H GLN 12 HN GLN 12 5.316 -4.836 -2.908
77 HA GLN 12 HA GLN 12 4.783 -3.410 -0.387
78 HB2 GLN 12 HB2 GLN 12 7.456 -4.246 -1.524
79 HB3 GLN 12 HB1 GLN 12 7.158 -3.576 0.073
80 HG2 GLN 12 HG2 GLN 12 5.858 -5.570 0.657
81 HG3 GLN 12 HG1 GLN 12 6.192 -6.245 -0.937
82 HE21 GLN 12 HE21 GLN 12 7.254 -8.031 -0.130
83 HE22 GLN 12 HE22 GLN 12 8.821 -7.929 0.596
84 H ALA 13 HN ALA 13 4.766 -1.255 -0.458
85 HA ALA 13 HA ALA 13 5.847 0.067 -2.853
86 HB1 ALA 13 HB1 ALA 13 4.334 1.910 -2.334
87 HB2 ALA 13 HB2 ALA 13 3.803 1.078 -0.874
88 HB3 ALA 13 HB3 ALA 13 3.447 0.390 -2.457
89 HA PRO 14 HA PRO 14 8.880 1.933 -0.201
90 HB2 PRO 14 HB2 PRO 14 10.049 3.538 -1.990
91 HB3 PRO 14 HB1 PRO 14 10.169 1.779 -2.130
92 HG2 PRO 14 HG2 PRO 14 8.421 3.684 -3.623
93 HG3 PRO 14 HG1 PRO 14 9.278 2.252 -4.217
94 HD2 PRO 14 HD2 PRO 14 6.590 2.338 -3.538
95 HD3 PRO 14 HD1 PRO 14 7.568 0.862 -3.641
96 H ASP 15 HN ASP 15 6.055 3.277 -0.842
97 HA ASP 15 HA ASP 15 6.687 5.718 0.585
98 HB2 ASP 15 HB2 ASP 15 6.931 6.347 -1.792
99 HB3 ASP 15 HB1 ASP 15 5.283 5.808 -2.086
100 H MET 16 HN MET 16 4.939 6.590 1.664
101 HA MET 16 HA MET 16 2.941 4.636 2.336
102 HB2 MET 16 HB2 MET 16 4.029 6.024 4.055
103 HB3 MET 16 HB1 MET 16 3.315 7.461 3.339
104 HG2 MET 16 HG2 MET 16 1.086 6.620 3.859
105 HG3 MET 16 HG1 MET 16 1.796 5.173 4.572
106 HE1 MET 16 HE1 MET 16 0.372 5.619 6.780
107 HE2 MET 16 HE2 MET 16 -0.306 7.091 6.085
108 HE3 MET 16 HE3 MET 16 0.422 7.128 7.690
109 H ASP 17 HN ASP 17 3.033 7.689 0.594
110 HA ASP 17 HA ASP 17 0.167 7.957 0.484
111 HB2 ASP 17 HB2 ASP 17 1.756 9.903 0.401
112 HB3 ASP 17 HB1 ASP 17 2.237 9.372 -1.208
113 H THR 18 HN THR 18 2.757 6.869 -1.630
114 HA THR 18 HA THR 18 1.232 6.271 -3.899
115 HB THR 18 HB THR 18 3.645 4.780 -2.849
116 HG1 THR 18 HG1 THR 18 3.380 7.287 -3.723
117 HG21 THR 18 HG21 THR 18 2.442 3.559 -4.619
118 HG22 THR 18 HG22 THR 18 4.011 4.135 -5.181
119 HG23 THR 18 HG23 THR 18 2.541 4.981 -5.659
120 H LEU 19 HN LEU 19 1.869 4.373 -0.964
121 HA LEU 19 HA LEU 19 0.472 2.056 -1.766
122 HG LEU 19 HG LEU 19 -0.845 1.363 0.914
123 HB2 LEU 19 HB2 LEU 19 1.994 2.069 0.163
124 HB3 LEU 19 HB1 LEU 19 0.908 3.149 1.018
125 HD11 LEU 19 HD11 LEU 19 1.450 -0.352 -0.019
126 HD12 LEU 19 HD12 LEU 19 0.068 0.138 -0.997
127 HD13 LEU 19 HD13 LEU 19 -0.170 -0.906 0.403
128 HD21 LEU 19 HD21 LEU 19 0.071 0.072 2.733
129 HD22 LEU 19 HD22 LEU 19 0.555 1.759 2.905
130 HD23 LEU 19 HD23 LEU 19 1.708 0.566 2.307
131 H GLN 20 HN GLN 20 -0.532 4.975 -0.040
132 HA GLN 20 HA GLN 20 -3.169 4.313 0.520
133 HB2 GLN 20 HB2 GLN 20 -2.110 6.362 1.348
134 HB3 GLN 20 HB1 GLN 20 -2.054 7.008 -0.287
135 HG2 GLN 20 HG2 GLN 20 -4.537 6.924 -0.342
136 HG3 GLN 20 HG1 GLN 20 -4.515 6.440 1.352
137 HE21 GLN 20 HE21 GLN 20 -2.222 8.143 1.961
138 HE22 GLN 20 HE22 GLN 20 -2.814 9.769 1.992
139 H ILE 21 HN ILE 21 -1.797 5.711 -2.434
140 HA ILE 21 HA ILE 21 -4.250 5.906 -3.840
141 HB ILE 21 HB ILE 21 -1.448 5.667 -4.949
142 HG12 ILE 21 HG12 ILE 21 -3.124 8.131 -4.420
143 HG13 ILE 21 HG11 ILE 21 -1.806 7.582 -3.393
144 HG21 ILE 21 HG21 ILE 21 -3.127 5.155 -6.632
145 HG22 ILE 21 HG22 ILE 21 -2.381 6.719 -6.962
146 HG23 ILE 21 HG23 ILE 21 -3.990 6.645 -6.245
147 HD11 ILE 21 HD11 ILE 21 -1.560 8.444 -6.263
148 HD12 ILE 21 HD12 ILE 21 -0.238 7.911 -5.224
149 HD13 ILE 21 HD13 ILE 21 -1.113 9.396 -4.848
150 H HIS 22 HN HIS 22 -1.737 3.417 -3.706
151 HA HIS 22 HA HIS 22 -2.755 1.650 -5.601
152 HD1 HIS 22 HD1 HIS 22 -0.902 -0.821 -6.266
153 HD2 HIS 22 HD2 HIS 22 -2.208 -1.346 -2.348
154 HE1 HIS 22 HE1 HIS 22 -1.238 -3.312 -5.956
155 HB2 HIS 22 HB2 HIS 22 -0.568 1.272 -4.689
156 HB3 HIS 22 HB1 HIS 22 -1.208 1.140 -3.055
157 H VAL 23 HN VAL 23 -3.417 1.821 -2.112
158 HA VAL 23 HA VAL 23 -5.273 -0.357 -2.209
159 HB VAL 23 HB VAL 23 -4.959 1.690 -0.007
160 HG11 VAL 23 HG11 VAL 23 -6.059 -1.114 -0.002
161 HG12 VAL 23 HG12 VAL 23 -6.998 0.372 0.146
162 HG13 VAL 23 HG13 VAL 23 -5.865 -0.084 1.418
163 HG21 VAL 23 HG21 VAL 23 -2.810 0.637 -0.506
164 HG22 VAL 23 HG22 VAL 23 -3.553 -0.956 -0.360
165 HG23 VAL 23 HG23 VAL 23 -3.436 0.097 1.050
166 H MET 24 HN MET 24 -5.533 3.161 -2.073
167 HA MET 24 HA MET 24 -7.215 4.602 -2.493
168 HB2 MET 24 HB2 MET 24 -7.374 3.474 -4.651
169 HB3 MET 24 HB1 MET 24 -8.450 2.267 -3.961
170 HG2 MET 24 HG2 MET 24 -10.110 4.020 -3.518
171 HG3 MET 24 HG1 MET 24 -9.032 5.208 -4.250
172 HE1 MET 24 HE1 MET 24 -8.429 5.278 -6.834
173 HE2 MET 24 HE2 MET 24 -8.906 4.021 -7.975
174 HE3 MET 24 HE3 MET 24 -7.782 3.646 -6.669
175 H GLU 25 HN GLU 25 -9.396 1.790 -2.338
176 HA GLU 25 HA GLU 25 -10.276 2.420 0.304
177 HB2 GLU 25 HB2 GLU 25 -11.207 4.306 -1.005
178 HB3 GLU 25 HB1 GLU 25 -12.107 3.158 -1.977
179 HG2 GLU 25 HG2 GLU 25 -13.327 2.417 -0.006
180 HG3 GLU 25 HG1 GLU 25 -12.418 3.551 0.990
181 H PHE 26 HN PHE 26 -10.728 0.493 1.073
182 HA PHE 26 HA PHE 26 -12.523 -1.242 -0.476
183 HD1 PHE 26 HD1 PHE 26 -9.218 -0.563 -1.164
184 HD2 PHE 26 HD2 PHE 26 -11.143 -4.338 -1.466
185 HE1 PHE 26 HE1 PHE 26 -8.308 -0.843 -3.433
186 HE2 PHE 26 HE2 PHE 26 -10.237 -4.640 -3.707
187 HZ PHE 26 HZ PHE 26 -8.883 -2.759 -4.757
188 HB2 PHE 26 HB2 PHE 26 -9.962 -2.068 0.891
189 HB3 PHE 26 HB1 PHE 26 -11.240 -3.223 0.519
190 H ILE 27 HN ILE 27 -12.142 0.569 2.137
191 HA ILE 27 HA ILE 27 -13.340 0.860 4.033
192 HB ILE 27 HB ILE 27 -14.851 -1.629 3.226
193 HG12 ILE 27 HG12 ILE 27 -15.572 1.293 2.890
194 HG13 ILE 27 HG11 ILE 27 -15.008 0.242 1.595
195 HG21 ILE 27 HG21 ILE 27 -15.053 -1.193 5.612
196 HG22 ILE 27 HG22 ILE 27 -16.573 -0.843 4.790
197 HG23 ILE 27 HG23 ILE 27 -15.513 0.477 5.282
198 HD11 ILE 27 HD11 ILE 27 -17.408 0.507 1.511
199 HD12 ILE 27 HD12 ILE 27 -17.553 -0.079 3.168
200 HD13 ILE 27 HD13 ILE 27 -16.992 -1.163 1.894
201 H GLU 28 HN GLU 28 -13.107 -2.693 3.773
202 HA GLU 28 HA GLU 28 -12.162 -2.768 6.525
203 HB2 GLU 28 HB2 GLU 28 -12.388 -5.284 6.182
204 HB3 GLU 28 HB1 GLU 28 -13.871 -4.340 6.157
205 HG2 GLU 28 HG2 GLU 28 -13.988 -4.470 3.773
206 HG3 GLU 28 HG1 GLU 28 -12.394 -5.219 3.689
Start of MODEL 5
1 HA SER 1 HA SER 1 8.066 -1.210 7.660
2 HG SER 1 HG SER 1 9.183 -2.423 9.690
3 H1 SER 1 HT1 SER 1 10.081 -2.405 7.174
4 H2 SER 1 HT2 SER 1 10.886 -0.965 6.787
5 H3 SER 1 HT3 SER 1 9.602 -1.502 5.821
6 HB2 SER 1 HB2 SER 1 10.399 0.075 9.088
7 HB3 SER 1 HB1 SER 1 8.780 -0.218 9.727
8 H SER 2 HN SER 2 10.667 0.818 6.410
9 HA SER 2 HA SER 2 9.035 3.187 6.320
10 HG SER 2 HG SER 2 11.836 4.289 6.850
11 HB2 SER 2 HB2 SER 2 11.590 2.523 4.822
12 HB3 SER 2 HB1 SER 2 10.877 4.127 4.999
13 H ASP 3 HN ASP 3 9.552 0.386 4.454
14 HA ASP 3 HA ASP 3 8.031 1.345 2.181
15 HB2 ASP 3 HB2 ASP 3 8.289 -0.965 1.351
16 HB3 ASP 3 HB1 ASP 3 9.844 -0.275 1.803
17 H PHE 4 HN PHE 4 5.915 0.770 1.764
18 HA PHE 4 HA PHE 4 4.476 -0.414 4.049
19 HD1 PHE 4 HD1 PHE 4 5.400 3.225 2.731
20 HD2 PHE 4 HD2 PHE 4 2.767 1.611 5.663
21 HE1 PHE 4 HE1 PHE 4 6.155 4.923 4.342
22 HE2 PHE 4 HE2 PHE 4 3.519 3.308 7.276
23 HZ PHE 4 HZ PHE 4 5.214 4.968 6.618
24 HB2 PHE 4 HB2 PHE 4 3.554 1.732 2.124
25 HB3 PHE 4 HB1 PHE 4 2.549 1.000 3.368
26 H CYS 5 HN CYS 5 3.667 -2.347 3.585
27 HA CYS 5 HA CYS 5 3.250 -3.061 0.791
28 HG CYS 5 HG CYS 5 2.000 -5.334 4.142
29 HB2 CYS 5 HB2 CYS 5 3.064 -5.382 1.655
30 HB3 CYS 5 HB1 CYS 5 4.595 -4.612 2.056
31 H CYS 6 HN CYS 6 1.311 -3.871 -0.012
32 HA CYS 6 HA CYS 6 -1.070 -2.963 1.343
33 HB2 CYS 6 HB2 CYS 6 -0.853 -2.831 -1.130
34 HB3 CYS 6 HB1 CYS 6 -0.792 -4.587 -1.204
35 HA PRO 7 HA PRO 7 -1.185 -6.716 3.767
36 HB2 PRO 7 HB2 PRO 7 -3.922 -5.742 4.379
37 HB3 PRO 7 HB1 PRO 7 -2.606 -6.170 5.480
38 HG2 PRO 7 HG2 PRO 7 -3.253 -3.621 5.080
39 HG3 PRO 7 HG1 PRO 7 -1.554 -4.107 5.228
40 HD2 PRO 7 HD2 PRO 7 -3.133 -3.456 2.766
41 HD3 PRO 7 HD1 PRO 7 -1.465 -3.010 3.186
42 H LYS 8 HN LYS 8 -3.568 -5.765 1.425
43 HA LYS 8 HA LYS 8 -4.789 -8.422 1.415
44 HB2 LYS 8 HB2 LYS 8 -5.608 -6.027 -0.228
45 HB3 LYS 8 HB1 LYS 8 -6.573 -7.447 0.166
46 HG2 LYS 8 HG2 LYS 8 -6.536 -6.779 2.538
47 HG3 LYS 8 HG1 LYS 8 -5.644 -5.328 2.094
48 HD2 LYS 8 HD2 LYS 8 -7.905 -4.678 2.308
49 HD3 LYS 8 HD1 LYS 8 -7.580 -4.754 0.576
50 HE2 LYS 8 HE2 LYS 8 -8.707 -6.833 0.374
51 HE3 LYS 8 HE1 LYS 8 -8.797 -7.025 2.124
52 HZ1 LYS 8 HZ1 LYS 8 -10.250 -5.065 2.192
53 HZ2 LYS 8 HZ2 LYS 8 -10.913 -6.329 1.280
54 HZ3 LYS 8 HZ3 LYS 8 -10.224 -4.998 0.500
55 H CYS 9 HN CYS 9 -2.123 -7.281 0.230
56 HA CYS 9 HA CYS 9 -2.228 -8.931 -2.185
57 HB2 CYS 9 HB2 CYS 9 -1.077 -6.128 -2.101
58 HB3 CYS 9 HB1 CYS 9 -0.908 -7.251 -3.443
59 H GLN 10 HN GLN 10 0.289 -8.768 -3.062
60 HA GLN 10 HA GLN 10 2.007 -9.189 -0.699
61 HB2 GLN 10 HB2 GLN 10 2.455 -10.124 -3.544
62 HB3 GLN 10 HB1 GLN 10 3.459 -10.504 -2.152
63 HG2 GLN 10 HG2 GLN 10 1.558 -11.701 -1.143
64 HG3 GLN 10 HG1 GLN 10 0.613 -11.375 -2.597
65 HE21 GLN 10 HE21 GLN 10 1.358 -13.932 -1.458
66 HE22 GLN 10 HE22 GLN 10 2.280 -14.762 -2.670
67 H TYR 11 HN TYR 11 1.131 -6.897 -2.698
68 HA TYR 11 HA TYR 11 3.583 -5.943 -3.815
69 HD1 TYR 11 HD1 TYR 11 3.219 -4.780 -6.381
70 HD2 TYR 11 HD2 TYR 11 1.480 -2.311 -3.385
71 HE1 TYR 11 HE1 TYR 11 4.093 -2.791 -7.522
72 HE2 TYR 11 HE2 TYR 11 2.354 -0.314 -4.515
73 HH TYR 11 HH TYR 11 4.205 0.268 -6.110
74 HB2 TYR 11 HB2 TYR 11 1.391 -5.588 -4.888
75 HB3 TYR 11 HB1 TYR 11 0.889 -4.599 -3.520
76 H GLN 12 HN GLN 12 5.017 -4.590 -2.939
77 HA GLN 12 HA GLN 12 4.191 -3.051 -0.572
78 HB2 GLN 12 HB2 GLN 12 6.596 -3.042 0.077
79 HB3 GLN 12 HB1 GLN 12 5.863 -4.637 0.077
80 HG2 GLN 12 HG2 GLN 12 7.845 -5.107 -0.933
81 HG3 GLN 12 HG1 GLN 12 6.862 -4.744 -2.349
82 HE21 GLN 12 HE21 GLN 12 8.046 -2.331 -0.112
83 HE22 GLN 12 HE22 GLN 12 9.156 -1.578 -1.209
84 H ALA 13 HN ALA 13 4.551 -0.897 -0.499
85 HA ALA 13 HA ALA 13 5.577 0.341 -2.968
86 HB1 ALA 13 HB1 ALA 13 3.615 1.447 -0.956
87 HB2 ALA 13 HB2 ALA 13 3.211 0.790 -2.542
88 HB3 ALA 13 HB3 ALA 13 4.167 2.267 -2.417
89 HA PRO 14 HA PRO 14 8.875 1.925 -0.567
90 HB2 PRO 14 HB2 PRO 14 9.686 4.000 -2.089
91 HB3 PRO 14 HB1 PRO 14 9.905 2.316 -2.576
92 HG2 PRO 14 HG2 PRO 14 7.834 4.289 -3.445
93 HG3 PRO 14 HG1 PRO 14 8.712 3.087 -4.409
94 HD2 PRO 14 HD2 PRO 14 6.153 2.745 -3.500
95 HD3 PRO 14 HD1 PRO 14 7.265 1.409 -3.852
96 H ASP 15 HN ASP 15 6.085 3.897 -1.049
97 HA ASP 15 HA ASP 15 6.840 5.443 1.305
98 HB2 ASP 15 HB2 ASP 15 7.465 6.720 -0.833
99 HB3 ASP 15 HB1 ASP 15 5.733 6.898 -1.086
100 H MET 16 HN MET 16 4.987 6.737 2.132
101 HA MET 16 HA MET 16 2.823 4.989 2.569
102 HB2 MET 16 HB2 MET 16 3.642 6.637 4.222
103 HB3 MET 16 HB1 MET 16 3.032 7.938 3.210
104 HG2 MET 16 HG2 MET 16 0.751 7.044 3.485
105 HG3 MET 16 HG1 MET 16 1.393 5.807 4.564
106 HE1 MET 16 HE1 MET 16 -0.989 7.662 5.432
107 HE2 MET 16 HE2 MET 16 -0.499 8.108 7.065
108 HE3 MET 16 HE3 MET 16 -0.255 6.459 6.490
109 H ASP 17 HN ASP 17 3.111 7.967 0.652
110 HA ASP 17 HA ASP 17 0.372 8.201 0.013
111 HB2 ASP 17 HB2 ASP 17 0.975 9.952 -1.373
112 HB3 ASP 17 HB1 ASP 17 2.395 9.880 -0.337
113 H THR 18 HN THR 18 2.998 6.397 -1.394
114 HA THR 18 HA THR 18 1.777 5.854 -3.881
115 HB THR 18 HB THR 18 3.825 4.080 -2.574
116 HG1 THR 18 HG1 THR 18 4.029 6.739 -2.996
117 HG21 THR 18 HG21 THR 18 3.406 4.968 -5.429
118 HG22 THR 18 HG22 THR 18 2.932 3.405 -4.760
119 HG23 THR 18 HG23 THR 18 4.638 3.842 -4.858
120 H LEU 19 HN LEU 19 1.941 4.067 -0.815
121 HA LEU 19 HA LEU 19 0.473 1.818 -1.768
122 HG LEU 19 HG LEU 19 -1.018 1.154 0.804
123 HB2 LEU 19 HB2 LEU 19 1.902 1.675 0.225
124 HB3 LEU 19 HB1 LEU 19 0.850 2.804 1.064
125 HD11 LEU 19 HD11 LEU 19 -0.462 -1.153 0.253
126 HD12 LEU 19 HD12 LEU 19 1.201 -0.674 -0.103
127 HD13 LEU 19 HD13 LEU 19 -0.124 -0.073 -1.099
128 HD21 LEU 19 HD21 LEU 19 1.417 0.205 2.308
129 HD22 LEU 19 HD22 LEU 19 -0.238 -0.339 2.582
130 HD23 LEU 19 HD23 LEU 19 0.202 1.340 2.898
131 H GLN 20 HN GLN 20 -0.347 4.840 -0.199
132 HA GLN 20 HA GLN 20 -3.005 4.314 0.479
133 HB2 GLN 20 HB2 GLN 20 -1.528 6.323 1.093
134 HB3 GLN 20 HB1 GLN 20 -2.007 7.000 -0.456
135 HG2 GLN 20 HG2 GLN 20 -3.394 7.915 1.263
136 HG3 GLN 20 HG1 GLN 20 -4.369 6.850 0.251
137 HE21 GLN 20 HE21 GLN 20 -2.867 7.283 3.352
138 HE22 GLN 20 HE22 GLN 20 -3.731 6.025 4.174
139 H ILE 21 HN ILE 21 -1.566 5.430 -2.543
140 HA ILE 21 HA ILE 21 -4.094 5.754 -3.861
141 HB ILE 21 HB ILE 21 -1.348 5.519 -5.109
142 HG12 ILE 21 HG12 ILE 21 -2.914 7.978 -4.292
143 HG13 ILE 21 HG11 ILE 21 -1.479 7.362 -3.480
144 HG21 ILE 21 HG21 ILE 21 -2.383 6.720 -6.996
145 HG22 ILE 21 HG22 ILE 21 -3.945 6.611 -6.184
146 HG23 ILE 21 HG23 ILE 21 -3.124 5.144 -6.714
147 HD11 ILE 21 HD11 ILE 21 -0.937 9.250 -4.888
148 HD12 ILE 21 HD12 ILE 21 -1.609 8.425 -6.294
149 HD13 ILE 21 HD13 ILE 21 -0.165 7.786 -5.499
150 H HIS 22 HN HIS 22 -1.660 3.207 -3.630
151 HA HIS 22 HA HIS 22 -2.706 1.508 -5.620
152 HD1 HIS 22 HD1 HIS 22 -0.969 -1.137 -6.313
153 HD2 HIS 22 HD2 HIS 22 -2.078 -1.413 -2.308
154 HE1 HIS 22 HE1 HIS 22 -1.423 -3.586 -5.866
155 HB2 HIS 22 HB2 HIS 22 -0.504 1.031 -4.873
156 HB3 HIS 22 HB1 HIS 22 -0.999 0.983 -3.187
157 H VAL 23 HN VAL 23 -3.184 1.504 -2.081
158 HA VAL 23 HA VAL 23 -5.061 -0.636 -2.171
159 HB VAL 23 HB VAL 23 -3.614 -0.087 -0.206
160 HG11 VAL 23 HG11 VAL 23 -5.545 2.193 0.153
161 HG12 VAL 23 HG12 VAL 23 -3.816 2.308 -0.178
162 HG13 VAL 23 HG13 VAL 23 -4.378 1.649 1.359
163 HG21 VAL 23 HG21 VAL 23 -6.573 -0.212 0.325
164 HG22 VAL 23 HG22 VAL 23 -5.304 -0.587 1.491
165 HG23 VAL 23 HG23 VAL 23 -5.493 -1.576 0.046
166 H MET 24 HN MET 24 -5.217 2.714 -2.667
167 HA MET 24 HA MET 24 -6.843 4.120 -3.317
168 HB2 MET 24 HB2 MET 24 -8.537 1.629 -3.571
169 HB3 MET 24 HB1 MET 24 -8.980 3.218 -4.174
170 HG2 MET 24 HG2 MET 24 -7.002 3.179 -5.641
171 HG3 MET 24 HG1 MET 24 -6.648 1.546 -5.078
172 HE1 MET 24 HE1 MET 24 -6.632 0.488 -7.443
173 HE2 MET 24 HE2 MET 24 -6.840 2.102 -8.121
174 HE3 MET 24 HE3 MET 24 -7.871 0.780 -8.664
175 H GLU 25 HN GLU 25 -9.103 1.867 -1.726
176 HA GLU 25 HA GLU 25 -9.219 3.344 0.691
177 HB2 GLU 25 HB2 GLU 25 -10.688 4.425 -1.497
178 HB3 GLU 25 HB1 GLU 25 -11.826 3.828 -0.294
179 HG2 GLU 25 HG2 GLU 25 -9.695 5.909 0.024
180 HG3 GLU 25 HG1 GLU 25 -11.435 6.063 0.282
181 H PHE 26 HN PHE 26 -9.971 2.071 2.191
182 HA PHE 26 HA PHE 26 -12.387 0.500 1.753
183 HD1 PHE 26 HD1 PHE 26 -8.606 -0.420 0.800
184 HD2 PHE 26 HD2 PHE 26 -12.310 -2.496 0.940
185 HE1 PHE 26 HE1 PHE 26 -8.127 -1.409 -1.400
186 HE2 PHE 26 HE2 PHE 26 -11.841 -3.501 -1.239
187 HZ PHE 26 HZ PHE 26 -9.735 -2.916 -2.442
188 HB2 PHE 26 HB2 PHE 26 -9.841 -0.698 2.878
189 HB3 PHE 26 HB1 PHE 26 -11.415 -1.481 2.892
190 H ILE 27 HN ILE 27 -10.973 2.832 3.371
191 HA ILE 27 HA ILE 27 -10.621 3.561 5.492
192 HB ILE 27 HB ILE 27 -13.176 2.052 6.085
193 HG12 ILE 27 HG12 ILE 27 -12.782 4.902 5.137
194 HG13 ILE 27 HG11 ILE 27 -13.400 3.579 4.155
195 HG21 ILE 27 HG21 ILE 27 -11.895 4.414 7.464
196 HG22 ILE 27 HG22 ILE 27 -12.007 2.770 8.095
197 HG23 ILE 27 HG23 ILE 27 -13.472 3.725 7.859
198 HD11 ILE 27 HD11 ILE 27 -14.713 4.737 6.601
199 HD12 ILE 27 HD12 ILE 27 -15.331 3.392 5.643
200 HD13 ILE 27 HD13 ILE 27 -15.200 4.997 4.927
201 H GLU 28 HN GLU 28 -8.726 2.298 5.735
202 HA GLU 28 HA GLU 28 -9.027 -0.219 7.208
203 HB2 GLU 28 HB2 GLU 28 -6.710 0.922 5.645
204 HB3 GLU 28 HB1 GLU 28 -6.602 -0.542 6.611
205 HG2 GLU 28 HG2 GLU 28 -8.483 -0.138 4.295
206 HG3 GLU 28 HG1 GLU 28 -6.936 -0.980 4.211
Start of MODEL 6
1 HA SER 1 HA SER 1 9.263 -0.683 8.196
2 HG SER 1 HG SER 1 10.914 -0.710 10.408
3 H1 SER 1 HT1 SER 1 11.374 -1.754 7.875
4 H2 SER 1 HT2 SER 1 11.882 -0.532 6.823
5 H3 SER 1 HT3 SER 1 10.597 -1.550 6.382
6 HB2 SER 1 HB2 SER 1 11.448 1.366 8.561
7 HB3 SER 1 HB1 SER 1 10.022 1.111 9.568
8 H SER 2 HN SER 2 11.357 0.968 5.857
9 HA SER 2 HA SER 2 9.309 2.920 5.214
10 HG SER 2 HG SER 2 11.803 3.180 6.156
11 HB2 SER 2 HB2 SER 2 11.943 2.316 3.843
12 HB3 SER 2 HB1 SER 2 10.920 3.723 3.541
13 H ASP 3 HN ASP 3 9.118 -0.103 4.843
14 HA ASP 3 HA ASP 3 8.258 -0.102 2.041
15 HB2 ASP 3 HB2 ASP 3 8.257 -2.634 2.353
16 HB3 ASP 3 HB1 ASP 3 9.830 -1.849 2.330
17 H PHE 4 HN PHE 4 6.224 0.504 1.981
18 HA PHE 4 HA PHE 4 4.353 -0.376 4.053
19 HD1 PHE 4 HD1 PHE 4 6.053 2.843 2.711
20 HD2 PHE 4 HD2 PHE 4 2.608 2.047 5.069
21 HE1 PHE 4 HE1 PHE 4 6.782 4.540 4.335
22 HE2 PHE 4 HE2 PHE 4 3.327 3.740 6.703
23 HZ PHE 4 HZ PHE 4 5.417 4.989 6.338
24 HB2 PHE 4 HB2 PHE 4 4.105 1.643 1.808
25 HB3 PHE 4 HB1 PHE 4 2.777 1.193 2.867
26 H CYS 5 HN CYS 5 3.916 -2.496 3.570
27 HA CYS 5 HA CYS 5 3.330 -3.228 0.817
28 HG CYS 5 HG CYS 5 4.490 -4.788 4.706
29 HB2 CYS 5 HB2 CYS 5 3.255 -5.539 1.678
30 HB3 CYS 5 HB1 CYS 5 4.761 -4.732 2.105
31 H CYS 6 HN CYS 6 1.351 -3.842 0.059
32 HA CYS 6 HA CYS 6 -0.969 -3.122 1.596
33 HB2 CYS 6 HB2 CYS 6 -0.924 -2.851 -0.865
34 HB3 CYS 6 HB1 CYS 6 -0.781 -4.596 -1.046
35 HA PRO 7 HA PRO 7 -0.893 -6.962 3.816
36 HB2 PRO 7 HB2 PRO 7 -3.640 -6.208 4.600
37 HB3 PRO 7 HB1 PRO 7 -2.224 -6.516 5.609
38 HG2 PRO 7 HG2 PRO 7 -3.183 -4.035 5.246
39 HG3 PRO 7 HG1 PRO 7 -1.448 -4.353 5.418
40 HD2 PRO 7 HD2 PRO 7 -3.038 -3.772 2.953
41 HD3 PRO 7 HD1 PRO 7 -1.396 -3.252 3.390
42 H LYS 8 HN LYS 8 -3.443 -5.987 1.656
43 HA LYS 8 HA LYS 8 -4.531 -8.699 1.558
44 HB2 LYS 8 HB2 LYS 8 -5.571 -6.120 0.374
45 HB3 LYS 8 HB1 LYS 8 -6.417 -7.665 0.377
46 HG2 LYS 8 HG2 LYS 8 -6.539 -7.642 2.785
47 HG3 LYS 8 HG1 LYS 8 -5.573 -6.168 2.849
48 HD2 LYS 8 HD2 LYS 8 -7.342 -4.936 1.723
49 HD3 LYS 8 HD1 LYS 8 -8.306 -6.413 1.591
50 HE2 LYS 8 HE2 LYS 8 -8.452 -6.579 3.993
51 HE3 LYS 8 HE1 LYS 8 -7.370 -5.204 4.192
52 HZ1 LYS 8 HZ1 LYS 8 -9.715 -4.638 4.519
53 HZ2 LYS 8 HZ2 LYS 8 -10.058 -5.072 2.918
54 HZ3 LYS 8 HZ3 LYS 8 -9.027 -3.764 3.246
55 H CYS 9 HN CYS 9 -2.026 -7.400 0.200
56 HA CYS 9 HA CYS 9 -2.354 -8.885 -2.290
57 HB2 CYS 9 HB2 CYS 9 -1.375 -6.025 -2.191
58 HB3 CYS 9 HB1 CYS 9 -1.318 -7.062 -3.611
59 H GLN 10 HN GLN 10 -0.033 -8.717 -3.485
60 HA GLN 10 HA GLN 10 2.006 -9.211 -1.428
61 HB2 GLN 10 HB2 GLN 10 1.801 -9.989 -4.332
62 HB3 GLN 10 HB1 GLN 10 3.316 -10.094 -3.457
63 HG2 GLN 10 HG2 GLN 10 2.338 -12.255 -3.498
64 HG3 GLN 10 HG1 GLN 10 2.212 -11.645 -1.852
65 HE21 GLN 10 HE21 GLN 10 0.231 -11.353 -0.952
66 HE22 GLN 10 HE22 GLN 10 -1.245 -11.827 -1.720
67 H TYR 11 HN TYR 11 0.905 -6.661 -2.942
68 HA TYR 11 HA TYR 11 3.262 -5.598 -4.205
69 HD1 TYR 11 HD1 TYR 11 2.624 -3.948 -6.597
70 HD2 TYR 11 HD2 TYR 11 1.347 -2.099 -2.985
71 HE1 TYR 11 HE1 TYR 11 3.460 -1.782 -7.415
72 HE2 TYR 11 HE2 TYR 11 2.181 0.067 -3.791
73 HH TYR 11 HH TYR 11 3.915 0.880 -5.431
74 HB2 TYR 11 HB2 TYR 11 1.031 -5.062 -5.070
75 HB3 TYR 11 HB1 TYR 11 0.602 -4.315 -3.536
76 H GLN 12 HN GLN 12 4.730 -4.263 -3.354
77 HA GLN 12 HA GLN 12 4.230 -3.172 -0.666
78 HB2 GLN 12 HB2 GLN 12 6.900 -4.032 -1.800
79 HB3 GLN 12 HB1 GLN 12 6.608 -3.408 -0.182
80 HG2 GLN 12 HG2 GLN 12 5.158 -5.382 0.250
81 HG3 GLN 12 HG1 GLN 12 5.651 -6.025 -1.316
82 HE21 GLN 12 HE21 GLN 12 7.778 -6.741 -1.596
83 HE22 GLN 12 HE22 GLN 12 8.815 -7.061 -0.251
84 H ALA 13 HN ALA 13 4.479 -1.025 -0.442
85 HA ALA 13 HA ALA 13 5.536 0.485 -2.741
86 HB1 ALA 13 HB1 ALA 13 3.193 0.946 -2.135
87 HB2 ALA 13 HB2 ALA 13 4.221 2.364 -1.917
88 HB3 ALA 13 HB3 ALA 13 3.717 1.417 -0.518
89 HA PRO 14 HA PRO 14 8.860 1.779 -0.088
90 HB2 PRO 14 HB2 PRO 14 9.916 3.723 -1.584
91 HB3 PRO 14 HB1 PRO 14 9.963 2.034 -2.103
92 HG2 PRO 14 HG2 PRO 14 8.150 4.242 -2.987
93 HG3 PRO 14 HG1 PRO 14 8.918 2.966 -3.949
94 HD2 PRO 14 HD2 PRO 14 6.298 2.919 -3.047
95 HD3 PRO 14 HD1 PRO 14 7.234 1.489 -3.521
96 H ASP 15 HN ASP 15 6.087 3.555 -0.469
97 HA ASP 15 HA ASP 15 6.776 5.386 1.642
98 HB2 ASP 15 HB2 ASP 15 6.218 7.430 0.399
99 HB3 ASP 15 HB1 ASP 15 7.626 6.626 -0.290
100 H MET 16 HN MET 16 4.824 6.945 1.996
101 HA MET 16 HA MET 16 2.584 5.241 2.474
102 HB2 MET 16 HB2 MET 16 2.693 8.243 2.814
103 HB3 MET 16 HB1 MET 16 1.583 7.131 3.595
104 HG2 MET 16 HG2 MET 16 3.120 7.687 5.243
105 HG3 MET 16 HG1 MET 16 3.640 6.097 4.680
106 HE1 MET 16 HE1 MET 16 5.959 6.604 5.958
107 HE2 MET 16 HE2 MET 16 5.395 8.219 6.389
108 HE3 MET 16 HE3 MET 16 6.967 8.010 5.615
109 H ASP 17 HN ASP 17 3.226 7.939 0.279
110 HA ASP 17 HA ASP 17 0.557 8.393 -0.514
111 HB2 ASP 17 HB2 ASP 17 2.442 9.990 -0.840
112 HB3 ASP 17 HB1 ASP 17 3.070 8.938 -2.104
113 H THR 18 HN THR 18 3.161 6.488 -1.994
114 HA THR 18 HA THR 18 1.766 5.566 -4.232
115 HB THR 18 HB THR 18 3.896 4.117 -2.639
116 HG1 THR 18 HG1 THR 18 5.021 5.775 -3.365
117 HG21 THR 18 HG21 THR 18 3.058 3.748 -5.520
118 HG22 THR 18 HG22 THR 18 2.671 2.643 -4.201
119 HG23 THR 18 HG23 THR 18 4.348 2.884 -4.684
120 H LEU 19 HN LEU 19 1.840 4.339 -0.908
121 HA LEU 19 HA LEU 19 0.257 2.025 -1.460
122 HG LEU 19 HG LEU 19 -1.153 1.610 1.019
123 HB2 LEU 19 HB2 LEU 19 1.748 2.256 0.534
124 HB3 LEU 19 HB1 LEU 19 0.624 3.434 1.184
125 HD11 LEU 19 HD11 LEU 19 0.086 0.125 -0.468
126 HD12 LEU 19 HD12 LEU 19 -0.348 -0.683 1.038
127 HD13 LEU 19 HD13 LEU 19 1.304 -0.119 0.785
128 HD21 LEU 19 HD21 LEU 19 -0.188 2.369 3.135
129 HD22 LEU 19 HD22 LEU 19 1.133 1.221 2.941
130 HD23 LEU 19 HD23 LEU 19 -0.514 0.637 3.153
131 H GLN 20 HN GLN 20 -0.388 5.320 -0.424
132 HA GLN 20 HA GLN 20 -3.086 5.098 0.250
133 HB2 GLN 20 HB2 GLN 20 -1.718 7.116 0.649
134 HB3 GLN 20 HB1 GLN 20 -1.681 7.423 -1.082
135 HG2 GLN 20 HG2 GLN 20 -3.309 8.860 -0.123
136 HG3 GLN 20 HG1 GLN 20 -4.155 7.619 -1.044
137 HE21 GLN 20 HE21 GLN 20 -3.509 8.932 2.075
138 HE22 GLN 20 HE22 GLN 20 -4.668 7.986 2.949
139 H ILE 21 HN ILE 21 -1.528 5.531 -2.878
140 HA ILE 21 HA ILE 21 -3.956 5.773 -4.352
141 HB ILE 21 HB ILE 21 -1.175 5.034 -5.284
142 HG12 ILE 21 HG12 ILE 21 -2.686 7.651 -5.294
143 HG13 ILE 21 HG11 ILE 21 -1.314 7.252 -4.268
144 HG21 ILE 21 HG21 ILE 21 -2.853 4.259 -6.868
145 HG22 ILE 21 HG22 ILE 21 -1.969 5.633 -7.527
146 HG23 ILE 21 HG23 ILE 21 -3.595 5.858 -6.885
147 HD11 ILE 21 HD11 ILE 21 0.127 7.103 -6.221
148 HD12 ILE 21 HD12 ILE 21 -0.659 8.679 -6.133
149 HD13 ILE 21 HD13 ILE 21 -1.245 7.465 -7.271
150 H HIS 22 HN HIS 22 -1.664 3.121 -3.797
151 HA HIS 22 HA HIS 22 -2.969 1.184 -5.340
152 HD1 HIS 22 HD1 HIS 22 -1.126 -1.241 -6.023
153 HD2 HIS 22 HD2 HIS 22 -2.316 -1.576 -2.049
154 HE1 HIS 22 HE1 HIS 22 -1.570 -3.701 -5.613
155 HB2 HIS 22 HB2 HIS 22 -0.682 0.883 -4.536
156 HB3 HIS 22 HB1 HIS 22 -1.250 0.825 -2.872
157 H VAL 23 HN VAL 23 -3.262 1.946 -1.883
158 HA VAL 23 HA VAL 23 -5.535 0.114 -1.697
159 HB VAL 23 HB VAL 23 -4.212 1.600 0.582
160 HG11 VAL 23 HG11 VAL 23 -5.939 -0.876 0.536
161 HG12 VAL 23 HG12 VAL 23 -6.442 0.729 1.069
162 HG13 VAL 23 HG13 VAL 23 -5.210 -0.151 1.970
163 HG21 VAL 23 HG21 VAL 23 -2.494 0.269 -0.438
164 HG22 VAL 23 HG22 VAL 23 -3.566 -1.127 -0.537
165 HG23 VAL 23 HG23 VAL 23 -3.018 -0.548 1.037
166 H MET 24 HN MET 24 -5.640 2.757 -3.106
167 HA MET 24 HA MET 24 -7.551 4.280 -1.640
168 HB2 MET 24 HB2 MET 24 -6.407 5.059 -3.762
169 HB3 MET 24 HB1 MET 24 -7.448 3.954 -4.651
170 HG2 MET 24 HG2 MET 24 -9.414 5.152 -3.800
171 HG3 MET 24 HG1 MET 24 -8.356 6.280 -2.958
172 HE1 MET 24 HE1 MET 24 -8.092 4.661 -6.578
173 HE2 MET 24 HE2 MET 24 -8.840 5.946 -7.530
174 HE3 MET 24 HE3 MET 24 -9.792 5.062 -6.338
175 H GLU 25 HN GLU 25 -7.601 1.394 -3.553
176 HA GLU 25 HA GLU 25 -10.433 0.930 -3.210
177 HB2 GLU 25 HB2 GLU 25 -8.139 -0.655 -4.323
178 HB3 GLU 25 HB1 GLU 25 -9.655 -1.454 -3.928
179 HG2 GLU 25 HG2 GLU 25 -9.523 -0.856 -6.288
180 HG3 GLU 25 HG1 GLU 25 -10.847 -0.025 -5.475
181 H PHE 26 HN PHE 26 -11.315 -0.609 -1.835
182 HA PHE 26 HA PHE 26 -11.632 -1.690 0.123
183 HD1 PHE 26 HD2 PHE 26 -11.587 -3.235 -1.657
184 HD2 PHE 26 HD1 PHE 26 -7.412 -3.619 -0.938
185 HE1 PHE 26 HE2 PHE 26 -11.351 -4.529 -3.733
186 HE2 PHE 26 HE1 PHE 26 -7.173 -4.920 -3.003
187 HZ PHE 26 HZ PHE 26 -9.090 -5.279 -4.464
188 HB2 PHE 26 HB2 PHE 26 -8.691 -2.223 0.421
189 HB3 PHE 26 HB1 PHE 26 -10.053 -3.239 0.878
190 H ILE 27 HN ILE 27 -12.012 0.638 0.742
191 HA ILE 27 HA ILE 27 -10.158 2.081 2.293
192 HB ILE 27 HB ILE 27 -13.172 2.080 2.552
193 HG12 ILE 27 HG12 ILE 27 -12.447 2.590 0.253
194 HG13 ILE 27 HG11 ILE 27 -13.131 4.011 1.036
195 HG21 ILE 27 HG21 ILE 27 -11.143 4.150 3.390
196 HG22 ILE 27 HG22 ILE 27 -12.063 3.099 4.468
197 HG23 ILE 27 HG23 ILE 27 -12.897 4.316 3.501
198 HD11 ILE 27 HD11 ILE 27 -10.203 3.432 0.665
199 HD12 ILE 27 HD12 ILE 27 -10.880 4.854 1.458
200 HD13 ILE 27 HD13 ILE 27 -11.167 4.582 -0.260
201 H GLU 28 HN GLU 28 -13.011 0.344 3.492
202 HA GLU 28 HA GLU 28 -11.754 -1.497 5.104
203 HB2 GLU 28 HB2 GLU 28 -11.082 0.748 6.280
204 HB3 GLU 28 HB1 GLU 28 -12.731 0.713 6.890
205 HG2 GLU 28 HG2 GLU 28 -11.067 -0.254 8.442
206 HG3 GLU 28 HG1 GLU 28 -12.350 -1.376 7.989
Start of MODEL 7
1 HA SER 1 HA SER 1 13.298 -0.377 5.369
2 HG SER 1 HG SER 1 16.060 1.853 5.507
3 H1 SER 1 HT1 SER 1 12.673 0.475 3.239
4 H2 SER 1 HT2 SER 1 14.322 0.769 3.520
5 H3 SER 1 HT3 SER 1 13.206 2.031 3.658
6 HB2 SER 1 HB2 SER 1 14.105 2.476 5.975
7 HB3 SER 1 HB1 SER 1 14.124 1.132 7.117
8 H SER 2 HN SER 2 11.833 2.799 4.711
9 HA SER 2 HA SER 2 9.579 2.172 6.446
10 HG SER 2 HG SER 2 10.647 5.623 6.458
11 HB2 SER 2 HB2 SER 2 10.022 4.532 4.598
12 HB3 SER 2 HB1 SER 2 8.750 4.387 5.810
13 H ASP 3 HN ASP 3 9.721 0.210 4.701
14 HA ASP 3 HA ASP 3 8.253 0.810 2.268
15 HB2 ASP 3 HB2 ASP 3 9.369 -1.811 3.296
16 HB3 ASP 3 HB1 ASP 3 8.664 -1.558 1.704
17 H PHE 4 HN PHE 4 6.129 0.938 2.372
18 HA PHE 4 HA PHE 4 4.683 -0.611 4.393
19 HD1 PHE 4 HD2 PHE 4 4.110 1.155 6.236
20 HD2 PHE 4 HD1 PHE 4 4.711 3.528 2.755
21 HE1 PHE 4 HE2 PHE 4 5.053 2.955 7.628
22 HE2 PHE 4 HE1 PHE 4 5.644 5.330 4.137
23 HZ PHE 4 HZ PHE 4 5.821 5.047 6.579
24 HB2 PHE 4 HB2 PHE 4 3.605 1.542 2.560
25 HB3 PHE 4 HB1 PHE 4 2.809 0.857 3.970
26 H CYS 5 HN CYS 5 3.923 -2.538 3.758
27 HA CYS 5 HA CYS 5 3.472 -3.018 0.910
28 HG CYS 5 HG CYS 5 6.004 -3.576 2.704
29 HB2 CYS 5 HB2 CYS 5 3.385 -4.964 3.222
30 HB3 CYS 5 HB1 CYS 5 3.390 -5.373 1.509
31 H CYS 6 HN CYS 6 1.487 -3.674 0.075
32 HA CYS 6 HA CYS 6 -0.838 -2.898 1.595
33 HB2 CYS 6 HB2 CYS 6 -0.738 -2.525 -0.854
34 HB3 CYS 6 HB1 CYS 6 -0.662 -4.262 -1.109
35 HA PRO 7 HA PRO 7 -0.770 -6.896 3.519
36 HB2 PRO 7 HB2 PRO 7 -2.933 -6.574 5.130
37 HB3 PRO 7 HB1 PRO 7 -1.361 -5.837 5.461
38 HG2 PRO 7 HG2 PRO 7 -3.816 -4.619 4.271
39 HG3 PRO 7 HG1 PRO 7 -2.667 -3.924 5.429
40 HD2 PRO 7 HD2 PRO 7 -2.664 -3.346 2.759
41 HD3 PRO 7 HD1 PRO 7 -1.209 -3.279 3.778
42 H LYS 8 HN LYS 8 -3.248 -5.695 1.535
43 HA LYS 8 HA LYS 8 -4.659 -8.268 1.525
44 HB2 LYS 8 HB2 LYS 8 -5.499 -5.646 0.275
45 HB3 LYS 8 HB1 LYS 8 -6.476 -7.103 0.399
46 HG2 LYS 8 HG2 LYS 8 -5.536 -5.357 2.670
47 HG3 LYS 8 HG1 LYS 8 -7.187 -5.515 2.063
48 HD2 LYS 8 HD2 LYS 8 -7.131 -7.916 2.704
49 HD3 LYS 8 HD1 LYS 8 -5.542 -7.650 3.422
50 HE2 LYS 8 HE2 LYS 8 -7.144 -7.548 5.181
51 HE3 LYS 8 HE1 LYS 8 -6.587 -5.903 4.878
52 HZ1 LYS 8 HZ1 LYS 8 -9.014 -6.076 5.165
53 HZ2 LYS 8 HZ2 LYS 8 -9.096 -7.052 3.780
54 HZ3 LYS 8 HZ3 LYS 8 -8.581 -5.445 3.651
55 H CYS 9 HN CYS 9 -2.084 -7.100 0.119
56 HA CYS 9 HA CYS 9 -2.569 -8.479 -2.410
57 HB2 CYS 9 HB2 CYS 9 -1.479 -5.660 -2.209
58 HB3 CYS 9 HB1 CYS 9 -1.434 -6.641 -3.668
59 H GLN 10 HN GLN 10 -0.173 -8.049 -3.649
60 HA GLN 10 HA GLN 10 1.776 -9.053 -1.674
61 HB2 GLN 10 HB2 GLN 10 2.940 -10.095 -3.600
62 HB3 GLN 10 HB1 GLN 10 1.302 -10.698 -3.396
63 HG2 GLN 10 HG2 GLN 10 1.569 -8.415 -5.227
64 HG3 GLN 10 HG1 GLN 10 2.369 -9.894 -5.748
65 HE21 GLN 10 HE21 GLN 10 -0.465 -10.065 -3.751
66 HE22 GLN 10 HE22 GLN 10 -1.544 -10.620 -4.983
67 H TYR 11 HN TYR 11 0.910 -6.339 -3.108
68 HA TYR 11 HA TYR 11 3.380 -5.422 -4.241
69 HD1 TYR 11 HD1 TYR 11 3.241 -3.792 -6.405
70 HD2 TYR 11 HD2 TYR 11 1.459 -1.722 -3.144
71 HE1 TYR 11 HE1 TYR 11 4.297 -1.711 -7.159
72 HE2 TYR 11 HE2 TYR 11 2.510 0.370 -3.891
73 HH TYR 11 HH TYR 11 4.521 1.033 -5.228
74 HB2 TYR 11 HB2 TYR 11 1.217 -4.682 -5.137
75 HB3 TYR 11 HB1 TYR 11 0.825 -3.937 -3.588
76 H GLN 12 HN GLN 12 4.978 -4.404 -3.252
77 HA GLN 12 HA GLN 12 4.544 -3.306 -0.566
78 HB2 GLN 12 HB2 GLN 12 6.303 -4.905 -0.541
79 HB3 GLN 12 HB1 GLN 12 6.994 -4.279 -2.033
80 HG2 GLN 12 HG2 GLN 12 7.528 -2.189 -0.839
81 HG3 GLN 12 HG1 GLN 12 6.973 -2.938 0.657
82 HE21 GLN 12 HE21 GLN 12 9.440 -2.877 -1.784
83 HE22 GLN 12 HE22 GLN 12 10.608 -3.815 -0.910
84 H ALA 13 HN ALA 13 4.427 -1.155 -0.394
85 HA ALA 13 HA ALA 13 5.440 0.481 -2.619
86 HB1 ALA 13 HB1 ALA 13 3.046 0.710 -2.170
87 HB2 ALA 13 HB2 ALA 13 3.905 2.216 -1.843
88 HB3 ALA 13 HB3 ALA 13 3.400 1.180 -0.507
89 HA PRO 14 HA PRO 14 8.618 1.588 0.302
90 HB2 PRO 14 HB2 PRO 14 10.068 3.130 -1.373
91 HB3 PRO 14 HB1 PRO 14 10.064 1.365 -1.475
92 HG2 PRO 14 HG2 PRO 14 8.564 3.364 -3.118
93 HG3 PRO 14 HG1 PRO 14 9.403 1.891 -3.638
94 HD2 PRO 14 HD2 PRO 14 6.706 2.034 -3.285
95 HD3 PRO 14 HD1 PRO 14 7.638 0.539 -3.077
96 H ASP 15 HN ASP 15 6.088 3.394 -0.617
97 HA ASP 15 HA ASP 15 6.801 5.524 1.204
98 HB2 ASP 15 HB2 ASP 15 7.496 6.367 -1.052
99 HB3 ASP 15 HB1 ASP 15 5.820 6.216 -1.576
100 H MET 16 HN MET 16 4.935 6.727 1.915
101 HA MET 16 HA MET 16 2.734 4.995 2.355
102 HB2 MET 16 HB2 MET 16 3.603 6.698 3.974
103 HB3 MET 16 HB1 MET 16 2.907 7.948 2.950
104 HG2 MET 16 HG2 MET 16 0.688 6.936 3.281
105 HG3 MET 16 HG1 MET 16 1.419 5.770 4.384
106 HE1 MET 16 HE1 MET 16 -0.347 6.466 6.235
107 HE2 MET 16 HE2 MET 16 -1.058 7.660 5.151
108 HE3 MET 16 HE3 MET 16 -0.593 8.123 6.789
109 H ASP 17 HN ASP 17 3.258 7.780 0.253
110 HA ASP 17 HA ASP 17 0.562 8.297 -0.392
111 HB2 ASP 17 HB2 ASP 17 3.153 8.899 -1.784
112 HB3 ASP 17 HB1 ASP 17 1.613 9.277 -2.551
113 H THR 18 HN THR 18 3.021 6.400 -2.083
114 HA THR 18 HA THR 18 1.443 5.605 -4.240
115 HB THR 18 HB THR 18 3.666 3.954 -3.025
116 HG1 THR 18 HG1 THR 18 5.102 5.309 -4.050
117 HG21 THR 18 HG21 THR 18 4.074 3.307 -5.353
118 HG22 THR 18 HG22 THR 18 2.733 4.326 -5.876
119 HG23 THR 18 HG23 THR 18 2.425 2.910 -4.871
120 H LEU 19 HN LEU 19 1.881 4.158 -1.045
121 HA LEU 19 HA LEU 19 0.450 1.777 -1.555
122 HG LEU 19 HG LEU 19 -0.965 1.493 1.122
123 HB2 LEU 19 HB2 LEU 19 1.913 2.040 0.397
124 HB3 LEU 19 HB1 LEU 19 0.827 3.252 1.055
125 HD11 LEU 19 HD11 LEU 19 -0.269 -0.842 1.006
126 HD12 LEU 19 HD12 LEU 19 1.353 -0.339 0.530
127 HD13 LEU 19 HD13 LEU 19 -0.017 -0.019 -0.535
128 HD21 LEU 19 HD21 LEU 19 -0.090 0.395 3.124
129 HD22 LEU 19 HD22 LEU 19 0.264 2.124 3.122
130 HD23 LEU 19 HD23 LEU 19 1.529 0.964 2.722
131 H GLN 20 HN GLN 20 -0.529 4.917 -0.243
132 HA GLN 20 HA GLN 20 -3.165 4.227 0.421
133 HB2 GLN 20 HB2 GLN 20 -1.898 6.265 1.169
134 HB3 GLN 20 HB1 GLN 20 -2.184 6.956 -0.423
135 HG2 GLN 20 HG2 GLN 20 -3.766 7.808 1.201
136 HG3 GLN 20 HG1 GLN 20 -4.586 6.863 -0.041
137 HE21 GLN 20 HE21 GLN 20 -6.356 6.514 1.310
138 HE22 GLN 20 HE22 GLN 20 -6.290 5.407 2.638
139 H ILE 21 HN ILE 21 -1.764 5.460 -2.572
140 HA ILE 21 HA ILE 21 -4.282 5.714 -3.910
141 HB ILE 21 HB ILE 21 -1.515 5.536 -5.119
142 HG12 ILE 21 HG12 ILE 21 -3.165 7.907 -4.228
143 HG13 ILE 21 HG11 ILE 21 -1.644 7.369 -3.526
144 HG21 ILE 21 HG21 ILE 21 -3.265 5.119 -6.755
145 HG22 ILE 21 HG22 ILE 21 -2.547 6.707 -7.027
146 HG23 ILE 21 HG23 ILE 21 -4.119 6.576 -6.240
147 HD11 ILE 21 HD11 ILE 21 -0.493 7.914 -5.616
148 HD12 ILE 21 HD12 ILE 21 -1.304 9.317 -4.918
149 HD13 ILE 21 HD13 ILE 21 -2.018 8.481 -6.297
150 H HIS 22 HN HIS 22 -1.825 3.237 -3.626
151 HA HIS 22 HA HIS 22 -2.836 1.505 -5.617
152 HD1 HIS 22 HD1 HIS 22 -1.231 -1.121 -6.290
153 HD2 HIS 22 HD2 HIS 22 -1.840 -1.269 -2.177
154 HE1 HIS 22 HE1 HIS 22 -1.548 -3.567 -5.705
155 HB2 HIS 22 HB2 HIS 22 -0.617 1.096 -4.950
156 HB3 HIS 22 HB1 HIS 22 -1.031 1.113 -3.240
157 H VAL 23 HN VAL 23 -3.267 1.550 -2.081
158 HA VAL 23 HA VAL 23 -4.891 -0.771 -2.079
159 HB VAL 23 HB VAL 23 -3.511 -0.046 -0.155
160 HG11 VAL 23 HG11 VAL 23 -4.410 1.654 1.381
161 HG12 VAL 23 HG12 VAL 23 -5.616 2.080 0.167
162 HG13 VAL 23 HG13 VAL 23 -3.902 2.319 -0.170
163 HG21 VAL 23 HG21 VAL 23 -5.270 -1.681 0.137
164 HG22 VAL 23 HG22 VAL 23 -6.442 -0.396 0.428
165 HG23 VAL 23 HG23 VAL 23 -5.123 -0.665 1.569
166 H MET 24 HN MET 24 -5.566 2.682 -2.219
167 HA MET 24 HA MET 24 -7.441 3.833 -2.789
168 HB2 MET 24 HB2 MET 24 -8.557 1.119 -3.519
169 HB3 MET 24 HB1 MET 24 -9.265 2.665 -3.961
170 HG2 MET 24 HG2 MET 24 -7.501 3.171 -5.429
171 HG3 MET 24 HG1 MET 24 -6.487 1.885 -4.776
172 HE1 MET 24 HE1 MET 24 -8.497 -0.540 -4.541
173 HE2 MET 24 HE2 MET 24 -6.876 -0.691 -5.220
174 HE3 MET 24 HE3 MET 24 -8.265 -1.332 -6.099
175 H GLU 25 HN GLU 25 -9.053 0.873 -1.728
176 HA GLU 25 HA GLU 25 -9.958 2.222 0.708
177 HB2 GLU 25 HB2 GLU 25 -12.239 1.387 0.363
178 HB3 GLU 25 HB1 GLU 25 -11.759 2.472 -0.932
179 HG2 GLU 25 HG2 GLU 25 -11.205 0.455 -2.303
180 HG3 GLU 25 HG1 GLU 25 -11.932 -0.528 -1.032
181 H PHE 26 HN PHE 26 -10.356 0.788 2.437
182 HA PHE 26 HA PHE 26 -9.656 -2.003 2.035
183 HD1 PHE 26 HD2 PHE 26 -7.341 1.166 1.663
184 HD2 PHE 26 HD1 PHE 26 -7.908 -0.225 5.644
185 HE1 PHE 26 HE2 PHE 26 -6.738 3.389 2.517
186 HE2 PHE 26 HE1 PHE 26 -7.298 1.994 6.512
187 HZ PHE 26 HZ PHE 26 -6.712 3.809 4.946
188 HB2 PHE 26 HB2 PHE 26 -7.820 -1.763 3.820
189 HB3 PHE 26 HB1 PHE 26 -7.449 -1.224 2.185
190 H ILE 27 HN ILE 27 -10.441 -3.325 3.542
191 HA ILE 27 HA ILE 27 -11.720 -2.107 5.898
192 HB ILE 27 HB ILE 27 -12.294 -4.776 4.577
193 HG12 ILE 27 HG12 ILE 27 -14.635 -3.695 4.420
194 HG13 ILE 27 HG11 ILE 27 -13.809 -2.173 4.726
195 HG21 ILE 27 HG21 ILE 27 -12.479 -4.980 6.984
196 HG22 ILE 27 HG22 ILE 27 -14.081 -5.018 6.245
197 HG23 ILE 27 HG23 ILE 27 -13.513 -3.553 7.045
198 HD11 ILE 27 HD11 ILE 27 -14.202 -2.540 2.351
199 HD12 ILE 27 HD12 ILE 27 -13.257 -4.028 2.422
200 HD13 ILE 27 HD13 ILE 27 -12.479 -2.473 2.718
201 H GLU 28 HN GLU 28 -10.218 -2.113 7.445
202 HA GLU 28 HA GLU 28 -9.212 -4.624 8.430
203 HB2 GLU 28 HB2 GLU 28 -7.553 -4.121 6.690
204 HB3 GLU 28 HB1 GLU 28 -7.299 -2.525 7.380
205 HG2 GLU 28 HG2 GLU 28 -6.444 -3.581 9.436
206 HG3 GLU 28 HG1 GLU 28 -6.630 -5.162 8.672
Start of MODEL 8
1 HA SER 1 HA SER 1 14.508 -2.645 5.576
2 HG SER 1 HG SER 1 12.733 -6.086 6.270
3 H1 SER 1 HT1 SER 1 12.733 -1.846 7.031
4 H2 SER 1 HT2 SER 1 13.874 -2.810 7.833
5 H3 SER 1 HT3 SER 1 12.357 -3.451 7.432
6 HB2 SER 1 HB2 SER 1 14.118 -5.180 4.963
7 HB3 SER 1 HB1 SER 1 15.115 -4.745 6.351
8 H SER 2 HN SER 2 11.203 -3.937 5.855
9 HA SER 2 HA SER 2 10.727 -3.268 3.049
10 HG SER 2 HG SER 2 10.483 -6.065 4.609
11 HB2 SER 2 HB2 SER 2 8.936 -4.605 5.093
12 HB3 SER 2 HB1 SER 2 8.561 -4.400 3.381
13 H ASP 3 HN ASP 3 9.334 -1.642 2.410
14 HA ASP 3 HA ASP 3 9.143 0.487 4.344
15 HB2 ASP 3 HB2 ASP 3 8.322 0.421 1.434
16 HB3 ASP 3 HB1 ASP 3 8.368 1.861 2.445
17 H PHE 4 HN PHE 4 6.617 0.109 1.952
18 HA PHE 4 HA PHE 4 4.680 -0.284 4.133
19 HD1 PHE 4 HD2 PHE 4 3.272 2.025 5.296
20 HD2 PHE 4 HD1 PHE 4 6.298 3.078 2.494
21 HE1 PHE 4 HE2 PHE 4 4.086 3.766 6.834
22 HE2 PHE 4 HE1 PHE 4 7.118 4.818 4.025
23 HZ PHE 4 HZ PHE 4 6.009 5.168 6.198
24 HB2 PHE 4 HB2 PHE 4 4.460 1.683 1.842
25 HB3 PHE 4 HB1 PHE 4 3.156 1.305 2.963
26 H CYS 5 HN CYS 5 4.033 -2.310 3.749
27 HA CYS 5 HA CYS 5 3.612 -3.240 1.029
28 HG CYS 5 HG CYS 5 4.328 -3.902 5.023
29 HB2 CYS 5 HB2 CYS 5 3.054 -5.404 2.227
30 HB3 CYS 5 HB1 CYS 5 4.695 -4.808 2.456
31 H CYS 6 HN CYS 6 1.620 -3.928 0.200
32 HA CYS 6 HA CYS 6 -0.744 -2.816 1.476
33 HB2 CYS 6 HB2 CYS 6 -0.493 -2.677 -1.000
34 HB3 CYS 6 HB1 CYS 6 -0.505 -4.435 -1.082
35 HA PRO 7 HA PRO 7 -1.121 -6.649 3.831
36 HB2 PRO 7 HB2 PRO 7 -3.750 -5.387 4.430
37 HB3 PRO 7 HB1 PRO 7 -2.546 -6.059 5.535
38 HG2 PRO 7 HG2 PRO 7 -2.828 -3.426 5.292
39 HG3 PRO 7 HG1 PRO 7 -1.219 -4.154 5.458
40 HD2 PRO 7 HD2 PRO 7 -2.570 -3.081 3.018
41 HD3 PRO 7 HD1 PRO 7 -0.863 -2.986 3.500
42 H LYS 8 HN LYS 8 -3.569 -5.289 1.720
43 HA LYS 8 HA LYS 8 -5.123 -7.686 1.532
44 HB2 LYS 8 HB2 LYS 8 -5.142 -5.292 -0.314
45 HB3 LYS 8 HB1 LYS 8 -6.410 -6.495 -0.135
46 HG2 LYS 8 HG2 LYS 8 -5.536 -4.543 1.986
47 HG3 LYS 8 HG1 LYS 8 -6.973 -4.395 0.972
48 HD2 LYS 8 HD2 LYS 8 -7.809 -6.521 1.918
49 HD3 LYS 8 HD1 LYS 8 -6.402 -6.570 2.982
50 HE2 LYS 8 HE2 LYS 8 -7.087 -4.465 4.003
51 HE3 LYS 8 HE1 LYS 8 -8.477 -4.383 2.919
52 HZ1 LYS 8 HZ1 LYS 8 -9.212 -5.235 5.000
53 HZ2 LYS 8 HZ2 LYS 8 -7.979 -6.395 5.045
54 HZ3 LYS 8 HZ3 LYS 8 -9.226 -6.523 3.898
55 H CYS 9 HN CYS 9 -2.161 -6.809 0.198
56 HA CYS 9 HA CYS 9 -2.490 -8.685 -2.039
57 HB2 CYS 9 HB2 CYS 9 -1.207 -5.954 -2.281
58 HB3 CYS 9 HB1 CYS 9 -1.323 -7.158 -3.558
59 H GLN 10 HN GLN 10 -0.042 -8.551 -3.168
60 HA GLN 10 HA GLN 10 1.819 -9.205 -0.983
61 HB2 GLN 10 HB2 GLN 10 2.042 -9.788 -3.948
62 HB3 GLN 10 HB1 GLN 10 3.132 -10.359 -2.695
63 HG2 GLN 10 HG2 GLN 10 0.219 -11.083 -2.907
64 HG3 GLN 10 HG1 GLN 10 1.560 -12.082 -3.464
65 HE21 GLN 10 HE21 GLN 10 2.910 -13.052 -1.948
66 HE22 GLN 10 HE22 GLN 10 2.427 -13.261 -0.302
67 H TYR 11 HN TYR 11 1.086 -7.017 -3.470
68 HA TYR 11 HA TYR 11 3.446 -5.811 -4.186
69 HD1 TYR 11 HD2 TYR 11 1.791 -2.256 -3.288
70 HD2 TYR 11 HD1 TYR 11 2.630 -4.462 -6.829
71 HE1 TYR 11 HE2 TYR 11 2.721 -0.232 -4.323
72 HE2 TYR 11 HE1 TYR 11 3.576 -2.446 -7.868
73 HH TYR 11 HH TYR 11 3.335 0.083 -7.587
74 HB2 TYR 11 HB2 TYR 11 1.174 -5.367 -5.109
75 HB3 TYR 11 HB1 TYR 11 0.801 -4.445 -3.658
76 H GLN 12 HN GLN 12 4.895 -4.523 -3.241
77 HA GLN 12 HA GLN 12 4.168 -3.191 -0.712
78 HB2 GLN 12 HB2 GLN 12 6.886 -4.230 -1.541
79 HB3 GLN 12 HB1 GLN 12 6.537 -3.353 -0.057
80 HG2 GLN 12 HG2 GLN 12 5.021 -5.177 0.621
81 HG3 GLN 12 HG1 GLN 12 5.488 -6.064 -0.831
82 HE21 GLN 12 HE21 GLN 12 7.532 -6.964 -0.959
83 HE22 GLN 12 HE22 GLN 12 8.558 -7.133 0.424
84 H ALA 13 HN ALA 13 4.559 -1.039 -0.577
85 HA ALA 13 HA ALA 13 5.737 0.246 -2.953
86 HB1 ALA 13 HB1 ALA 13 4.302 2.156 -2.500
87 HB2 ALA 13 HB2 ALA 13 3.669 1.362 -1.059
88 HB3 ALA 13 HB3 ALA 13 3.335 0.690 -2.655
89 HA PRO 14 HA PRO 14 8.811 1.944 -0.271
90 HB2 PRO 14 HB2 PRO 14 9.647 4.043 -1.721
91 HB3 PRO 14 HB1 PRO 14 9.947 2.376 -2.229
92 HG2 PRO 14 HG2 PRO 14 7.841 4.289 -3.163
93 HG3 PRO 14 HG1 PRO 14 8.854 3.188 -4.116
94 HD2 PRO 14 HD2 PRO 14 6.274 2.631 -3.414
95 HD3 PRO 14 HD1 PRO 14 7.504 1.382 -3.692
96 H ASP 15 HN ASP 15 5.938 3.614 -0.960
97 HA ASP 15 HA ASP 15 6.464 5.541 1.177
98 HB2 ASP 15 HB2 ASP 15 6.969 6.860 -0.725
99 HB3 ASP 15 HB1 ASP 15 5.616 6.206 -1.637
100 H MET 16 HN MET 16 4.585 6.353 2.192
101 HA MET 16 HA MET 16 2.539 4.387 2.425
102 HB2 MET 16 HB2 MET 16 3.279 5.701 4.354
103 HB3 MET 16 HB1 MET 16 2.682 7.171 3.594
104 HG2 MET 16 HG2 MET 16 0.399 6.114 3.604
105 HG3 MET 16 HG1 MET 16 1.083 4.840 4.610
106 HE1 MET 16 HE1 MET 16 1.886 8.702 4.606
107 HE2 MET 16 HE2 MET 16 0.789 9.273 5.863
108 HE3 MET 16 HE3 MET 16 0.142 8.633 4.353
109 H ASP 17 HN ASP 17 2.690 7.604 0.947
110 HA ASP 17 HA ASP 17 -0.121 7.702 0.405
111 HB2 ASP 17 HB2 ASP 17 2.199 9.305 -0.671
112 HB3 ASP 17 HB1 ASP 17 0.533 9.578 -1.171
113 H THR 18 HN THR 18 2.758 6.808 -1.392
114 HA THR 18 HA THR 18 1.574 6.198 -3.850
115 HB THR 18 HB THR 18 3.860 4.725 -2.524
116 HG1 THR 18 HG1 THR 18 4.013 7.124 -2.751
117 HG21 THR 18 HG21 THR 18 3.136 5.078 -5.437
118 HG22 THR 18 HG22 THR 18 3.002 3.585 -4.508
119 HG23 THR 18 HG23 THR 18 4.590 4.282 -4.830
120 H LEU 19 HN LEU 19 2.010 4.229 -0.932
121 HA LEU 19 HA LEU 19 0.738 1.903 -1.896
122 HG LEU 19 HG LEU 19 -0.666 1.035 0.679
123 HB2 LEU 19 HB2 LEU 19 2.153 1.957 0.122
124 HB3 LEU 19 HB1 LEU 19 0.943 2.928 0.938
125 HD11 LEU 19 HD11 LEU 19 0.381 -0.060 -1.224
126 HD12 LEU 19 HD12 LEU 19 0.216 -1.173 0.134
127 HD13 LEU 19 HD13 LEU 19 1.786 -0.459 -0.235
128 HD21 LEU 19 HD21 LEU 19 1.882 0.424 2.172
129 HD22 LEU 19 HD22 LEU 19 0.308 -0.316 2.465
130 HD23 LEU 19 HD23 LEU 19 0.542 1.407 2.764
131 H GLN 20 HN GLN 20 -0.450 4.745 -0.176
132 HA GLN 20 HA GLN 20 -3.087 3.988 0.252
133 HB2 GLN 20 HB2 GLN 20 -2.064 5.988 1.215
134 HB3 GLN 20 HB1 GLN 20 -1.970 6.727 -0.378
135 HG2 GLN 20 HG2 GLN 20 -4.416 6.733 -0.503
136 HG3 GLN 20 HG1 GLN 20 -4.493 6.015 1.105
137 HE21 GLN 20 HE21 GLN 20 -2.100 8.383 0.227
138 HE22 GLN 20 HE22 GLN 20 -2.720 9.665 1.204
139 H ILE 21 HN ILE 21 -1.615 5.523 -2.590
140 HA ILE 21 HA ILE 21 -3.988 5.713 -4.119
141 HB ILE 21 HB ILE 21 -1.136 5.448 -5.098
142 HG12 ILE 21 HG12 ILE 21 -2.813 7.927 -4.637
143 HG13 ILE 21 HG11 ILE 21 -1.531 7.371 -3.568
144 HG21 ILE 21 HG21 ILE 21 -2.769 4.946 -6.842
145 HG22 ILE 21 HG22 ILE 21 -1.958 6.479 -7.159
146 HG23 ILE 21 HG23 ILE 21 -3.600 6.466 -6.514
147 HD11 ILE 21 HD11 ILE 21 0.095 7.676 -5.360
148 HD12 ILE 21 HD12 ILE 21 -0.763 9.174 -4.994
149 HD13 ILE 21 HD13 ILE 21 -1.189 8.239 -6.429
150 H HIS 22 HN HIS 22 -1.542 3.191 -3.781
151 HA HIS 22 HA HIS 22 -2.580 1.428 -5.716
152 HD1 HIS 22 HD1 HIS 22 -0.917 -1.116 -6.404
153 HD2 HIS 22 HD2 HIS 22 -1.802 -1.476 -2.358
154 HE1 HIS 22 HE1 HIS 22 -1.259 -3.581 -5.974
155 HB2 HIS 22 HB2 HIS 22 -0.372 1.029 -4.903
156 HB3 HIS 22 HB1 HIS 22 -0.924 0.963 -3.234
157 H VAL 23 HN VAL 23 -3.149 1.627 -2.199
158 HA VAL 23 HA VAL 23 -4.999 -0.554 -2.234
159 HB VAL 23 HB VAL 23 -4.749 1.528 -0.054
160 HG11 VAL 23 HG11 VAL 23 -6.688 0.064 0.150
161 HG12 VAL 23 HG12 VAL 23 -5.496 -0.312 1.394
162 HG13 VAL 23 HG13 VAL 23 -5.650 -1.352 -0.023
163 HG21 VAL 23 HG21 VAL 23 -3.162 -1.010 -0.437
164 HG22 VAL 23 HG22 VAL 23 -3.125 0.013 1.000
165 HG23 VAL 23 HG23 VAL 23 -2.538 0.636 -0.543
166 H MET 24 HN MET 24 -5.250 2.604 -3.285
167 HA MET 24 HA MET 24 -7.968 3.137 -2.632
168 HB2 MET 24 HB2 MET 24 -6.331 4.883 -3.308
169 HB3 MET 24 HB1 MET 24 -6.334 4.221 -4.936
170 HG2 MET 24 HG2 MET 24 -8.656 4.796 -5.212
171 HG3 MET 24 HG1 MET 24 -8.753 5.340 -3.539
172 HE1 MET 24 HE1 MET 24 -6.139 7.463 -6.703
173 HE2 MET 24 HE2 MET 24 -7.130 6.051 -7.079
174 HE3 MET 24 HE3 MET 24 -5.747 5.895 -5.996
175 H GLU 25 HN GLU 25 -6.500 0.959 -4.775
176 HA GLU 25 HA GLU 25 -8.462 0.669 -6.759
177 HB2 GLU 25 HB2 GLU 25 -6.734 -1.444 -5.468
178 HB3 GLU 25 HB1 GLU 25 -7.646 -1.657 -6.955
179 HG2 GLU 25 HG2 GLU 25 -6.289 -0.056 -8.097
180 HG3 GLU 25 HG1 GLU 25 -5.478 0.402 -6.599
181 H PHE 26 HN PHE 26 -8.387 -0.200 -3.420
182 HA PHE 26 HA PHE 26 -11.065 -1.390 -3.666
183 HD1 PHE 26 HD1 PHE 26 -7.236 -2.484 -3.516
184 HD2 PHE 26 HD2 PHE 26 -10.906 -4.626 -3.519
185 HE1 PHE 26 HE1 PHE 26 -6.299 -4.082 -5.135
186 HE2 PHE 26 HE2 PHE 26 -9.984 -6.230 -5.123
187 HZ PHE 26 HZ PHE 26 -7.647 -5.875 -6.010
188 HB2 PHE 26 HB2 PHE 26 -8.938 -2.257 -1.688
189 HB3 PHE 26 HB1 PHE 26 -10.531 -2.977 -1.907
190 H ILE 27 HN ILE 27 -11.908 -1.506 -1.167
191 HA ILE 27 HA ILE 27 -11.276 1.069 0.076
192 HB ILE 27 HB ILE 27 -13.636 1.445 0.644
193 HG12 ILE 27 HG12 ILE 27 -14.352 -0.970 0.395
194 HG13 ILE 27 HG11 ILE 27 -15.446 0.215 -0.301
195 HG21 ILE 27 HG21 ILE 27 -13.048 1.251 -2.298
196 HG22 ILE 27 HG22 ILE 27 -12.722 2.615 -1.230
197 HG23 ILE 27 HG23 ILE 27 -14.386 2.161 -1.596
198 HD11 ILE 27 HD11 ILE 27 -13.473 -1.481 -1.817
199 HD12 ILE 27 HD12 ILE 27 -14.549 -0.276 -2.527
200 HD13 ILE 27 HD13 ILE 27 -15.221 -1.709 -1.748
201 H GLU 28 HN GLU 28 -11.153 1.073 2.239
202 HA GLU 28 HA GLU 28 -12.365 -1.094 3.742
203 HB2 GLU 28 HB2 GLU 28 -10.287 -1.464 5.067
204 HB3 GLU 28 HB1 GLU 28 -10.163 -1.994 3.398
205 HG2 GLU 28 HG2 GLU 28 -8.899 0.013 2.848
206 HG3 GLU 28 HG1 GLU 28 -9.044 0.567 4.516
Start of MODEL 9
1 HA SER 1 HA SER 1 11.799 -5.640 5.809
2 HG SER 1 HG SER 1 12.926 -5.672 2.458
3 H1 SER 1 HT1 SER 1 10.108 -4.580 3.624
4 H2 SER 1 HT2 SER 1 9.530 -5.372 5.009
5 H3 SER 1 HT3 SER 1 10.508 -6.207 3.907
6 HB2 SER 1 HB2 SER 1 12.474 -3.871 3.446
7 HB3 SER 1 HB1 SER 1 13.597 -4.402 4.696
8 H SER 2 HN SER 2 10.994 -2.552 4.198
9 HA SER 2 HA SER 2 10.086 -1.483 6.757
10 HG SER 2 HG SER 2 12.366 -1.784 7.198
11 HB2 SER 2 HB2 SER 2 12.179 -0.086 5.058
12 HB3 SER 2 HB1 SER 2 11.433 0.562 6.518
13 H ASP 3 HN ASP 3 8.874 -2.367 4.325
14 HA ASP 3 HA ASP 3 8.326 0.013 2.728
15 HB2 ASP 3 HB2 ASP 3 7.315 -2.737 2.082
16 HB3 ASP 3 HB1 ASP 3 7.766 -1.436 0.986
17 H PHE 4 HN PHE 4 6.189 0.575 2.137
18 HA PHE 4 HA PHE 4 4.149 -0.156 4.084
19 HD1 PHE 4 HD2 PHE 4 3.111 2.298 5.326
20 HD2 PHE 4 HD1 PHE 4 6.057 3.092 2.359
21 HE1 PHE 4 HE2 PHE 4 4.167 3.943 6.822
22 HE2 PHE 4 HE1 PHE 4 7.118 4.738 3.850
23 HZ PHE 4 HZ PHE 4 6.133 5.196 6.080
24 HB2 PHE 4 HB2 PHE 4 4.097 1.852 1.815
25 HB3 PHE 4 HB1 PHE 4 2.805 1.611 2.986
26 H CYS 5 HN CYS 5 3.476 -2.180 3.565
27 HA CYS 5 HA CYS 5 2.964 -2.793 0.746
28 HG CYS 5 HG CYS 5 2.312 -4.366 4.372
29 HB2 CYS 5 HB2 CYS 5 2.933 -5.174 1.573
30 HB3 CYS 5 HB1 CYS 5 4.473 -4.340 1.758
31 H CYS 6 HN CYS 6 1.026 -3.619 0.028
32 HA CYS 6 HA CYS 6 -1.328 -3.004 1.566
33 HB2 CYS 6 HB2 CYS 6 -1.256 -2.755 -0.905
34 HB3 CYS 6 HB1 CYS 6 -1.052 -4.493 -1.062
35 HA PRO 7 HA PRO 7 -1.191 -6.792 3.837
36 HB2 PRO 7 HB2 PRO 7 -4.073 -6.373 4.337
37 HB3 PRO 7 HB1 PRO 7 -2.733 -6.458 5.485
38 HG2 PRO 7 HG2 PRO 7 -3.947 -4.137 4.937
39 HG3 PRO 7 HG1 PRO 7 -2.201 -4.225 5.234
40 HD2 PRO 7 HD2 PRO 7 -3.670 -4.001 2.630
41 HD3 PRO 7 HD1 PRO 7 -2.185 -3.178 3.162
42 H LYS 8 HN LYS 8 -3.902 -6.257 1.624
43 HA LYS 8 HA LYS 8 -4.537 -9.062 1.467
44 HB2 LYS 8 HB2 LYS 8 -5.491 -6.778 -0.267
45 HB3 LYS 8 HB1 LYS 8 -6.181 -8.394 -0.220
46 HG2 LYS 8 HG2 LYS 8 -6.751 -8.020 2.164
47 HG3 LYS 8 HG1 LYS 8 -6.190 -6.353 1.990
48 HD2 LYS 8 HD2 LYS 8 -7.852 -5.964 0.250
49 HD3 LYS 8 HD1 LYS 8 -8.396 -7.637 0.376
50 HE2 LYS 8 HE2 LYS 8 -9.007 -7.208 2.739
51 HE3 LYS 8 HE1 LYS 8 -8.564 -5.517 2.512
52 HZ1 LYS 8 HZ1 LYS 8 -10.277 -5.348 0.795
53 HZ2 LYS 8 HZ2 LYS 8 -10.944 -5.837 2.277
54 HZ3 LYS 8 HZ3 LYS 8 -10.701 -6.970 1.042
55 H CYS 9 HN CYS 9 -2.148 -7.178 0.126
56 HA CYS 9 HA CYS 9 -1.938 -8.925 -2.241
57 HB2 CYS 9 HB2 CYS 9 -1.084 -6.028 -2.040
58 HB3 CYS 9 HB1 CYS 9 -0.905 -7.061 -3.451
59 H GLN 10 HN GLN 10 0.408 -8.763 -3.142
60 HA GLN 10 HA GLN 10 2.303 -8.834 -0.893
61 HB2 GLN 10 HB2 GLN 10 2.662 -9.938 -3.689
62 HB3 GLN 10 HB1 GLN 10 3.728 -10.198 -2.312
63 HG2 GLN 10 HG2 GLN 10 1.799 -11.315 -1.162
64 HG3 GLN 10 HG1 GLN 10 0.927 -11.219 -2.687
65 HE21 GLN 10 HE21 GLN 10 1.680 -13.524 -1.160
66 HE22 GLN 10 HE22 GLN 10 2.674 -14.506 -2.189
67 H TYR 11 HN TYR 11 1.090 -6.690 -2.774
68 HA TYR 11 HA TYR 11 3.308 -5.469 -4.086
69 HD1 TYR 11 HD1 TYR 11 2.309 -4.070 -6.552
70 HD2 TYR 11 HD2 TYR 11 1.346 -2.039 -2.941
71 HE1 TYR 11 HE1 TYR 11 2.955 -1.934 -7.587
72 HE2 TYR 11 HE2 TYR 11 1.987 0.099 -3.964
73 HH TYR 11 HH TYR 11 3.455 0.889 -5.818
74 HB2 TYR 11 HB2 TYR 11 0.969 -5.148 -4.823
75 HB3 TYR 11 HB1 TYR 11 0.612 -4.321 -3.312
76 H GLN 12 HN GLN 12 4.829 -4.228 -3.230
77 HA GLN 12 HA GLN 12 4.324 -3.009 -0.588
78 HB2 GLN 12 HB2 GLN 12 6.766 -3.167 -0.198
79 HB3 GLN 12 HB1 GLN 12 6.016 -4.747 -0.403
80 HG2 GLN 12 HG2 GLN 12 6.793 -4.784 -2.736
81 HG3 GLN 12 HG1 GLN 12 7.583 -3.230 -2.477
82 HE21 GLN 12 HE21 GLN 12 9.411 -3.122 -1.199
83 HE22 GLN 12 HE22 GLN 12 10.329 -4.525 -0.781
84 H ALA 13 HN ALA 13 4.785 -0.859 -0.346
85 HA ALA 13 HA ALA 13 5.915 0.520 -2.692
86 HB1 ALA 13 HB1 ALA 13 4.507 2.451 -2.124
87 HB2 ALA 13 HB2 ALA 13 3.797 1.539 -0.791
88 HB3 ALA 13 HB3 ALA 13 3.533 1.019 -2.455
89 HA PRO 14 HA PRO 14 9.080 1.778 0.188
90 HB2 PRO 14 HB2 PRO 14 10.135 3.793 -1.329
91 HB3 PRO 14 HB1 PRO 14 10.481 2.081 -1.596
92 HG2 PRO 14 HG2 PRO 14 8.552 3.870 -3.021
93 HG3 PRO 14 HG1 PRO 14 9.642 2.638 -3.684
94 HD2 PRO 14 HD2 PRO 14 7.003 2.187 -3.318
95 HD3 PRO 14 HD1 PRO 14 8.215 0.904 -3.140
96 H ASP 15 HN ASP 15 6.745 3.953 -1.229
97 HA ASP 15 HA ASP 15 6.971 5.687 1.139
98 HB2 ASP 15 HB2 ASP 15 6.160 7.554 -0.260
99 HB3 ASP 15 HB1 ASP 15 7.692 6.913 -0.842
100 H MET 16 HN MET 16 5.019 6.521 1.988
101 HA MET 16 HA MET 16 2.941 4.565 1.957
102 HB2 MET 16 HB2 MET 16 1.813 6.051 3.592
103 HB3 MET 16 HB1 MET 16 3.469 5.660 4.028
104 HG2 MET 16 HG2 MET 16 4.220 7.828 3.301
105 HG3 MET 16 HG1 MET 16 2.602 8.234 2.727
106 HE1 MET 16 HE1 MET 16 0.547 8.763 4.317
107 HE2 MET 16 HE2 MET 16 0.565 8.443 6.050
108 HE3 MET 16 HE3 MET 16 0.714 7.110 4.906
109 H ASP 17 HN ASP 17 3.415 7.588 0.325
110 HA ASP 17 HA ASP 17 0.734 8.222 -0.242
111 HB2 ASP 17 HB2 ASP 17 3.299 8.842 -1.708
112 HB3 ASP 17 HB1 ASP 17 1.734 9.439 -2.251
113 H THR 18 HN THR 18 3.128 6.344 -2.081
114 HA THR 18 HA THR 18 1.480 5.675 -4.238
115 HB THR 18 HB THR 18 3.756 4.092 -3.030
116 HG1 THR 18 HG1 THR 18 4.554 6.024 -3.720
117 HG21 THR 18 HG21 THR 18 2.444 3.874 -5.747
118 HG22 THR 18 HG22 THR 18 2.417 2.656 -4.471
119 HG23 THR 18 HG23 THR 18 3.934 3.062 -5.274
120 H LEU 19 HN LEU 19 1.960 4.001 -1.129
121 HA LEU 19 HA LEU 19 0.312 1.783 -1.717
122 HG LEU 19 HG LEU 19 -1.014 1.509 1.053
123 HB2 LEU 19 HB2 LEU 19 1.861 1.750 0.165
124 HB3 LEU 19 HB1 LEU 19 0.965 3.040 0.950
125 HD11 LEU 19 HD11 LEU 19 -0.441 -0.002 -0.737
126 HD12 LEU 19 HD12 LEU 19 -0.602 -0.899 0.773
127 HD13 LEU 19 HD13 LEU 19 1.000 -0.534 0.134
128 HD21 LEU 19 HD21 LEU 19 0.403 1.848 2.994
129 HD22 LEU 19 HD22 LEU 19 1.495 0.580 2.440
130 HD23 LEU 19 HD23 LEU 19 -0.155 0.175 2.919
131 H GLN 20 HN GLN 20 -0.339 4.947 -0.319
132 HA GLN 20 HA GLN 20 -3.009 4.464 0.442
133 HB2 GLN 20 HB2 GLN 20 -1.558 6.366 1.199
134 HB3 GLN 20 HB1 GLN 20 -1.802 7.108 -0.377
135 HG2 GLN 20 HG2 GLN 20 -4.172 7.282 0.032
136 HG3 GLN 20 HG1 GLN 20 -3.996 6.425 1.562
137 HE21 GLN 20 HE21 GLN 20 -5.042 9.094 1.020
138 HE22 GLN 20 HE22 GLN 20 -4.077 10.186 1.966
139 H ILE 21 HN ILE 21 -1.562 5.581 -2.576
140 HA ILE 21 HA ILE 21 -4.073 6.022 -3.880
141 HB ILE 21 HB ILE 21 -1.324 5.611 -5.076
142 HG12 ILE 21 HG12 ILE 21 -2.865 8.149 -4.486
143 HG13 ILE 21 HG11 ILE 21 -1.505 7.546 -3.546
144 HG21 ILE 21 HG21 ILE 21 -2.248 6.679 -7.082
145 HG22 ILE 21 HG22 ILE 21 -3.841 6.718 -6.323
146 HG23 ILE 21 HG23 ILE 21 -3.084 5.171 -6.705
147 HD11 ILE 21 HD11 ILE 21 -1.400 8.386 -6.431
148 HD12 ILE 21 HD12 ILE 21 -0.039 7.828 -5.458
149 HD13 ILE 21 HD13 ILE 21 -0.848 9.342 -5.056
150 H HIS 22 HN HIS 22 -1.910 3.311 -3.468
151 HA HIS 22 HA HIS 22 -3.047 1.576 -5.386
152 HD1 HIS 22 HD1 HIS 22 -1.400 -1.008 -6.023
153 HD2 HIS 22 HD2 HIS 22 -2.659 -1.391 -2.071
154 HE1 HIS 22 HE1 HIS 22 -1.925 -3.459 -5.673
155 HB2 HIS 22 HB2 HIS 22 -0.881 1.065 -4.450
156 HB3 HIS 22 HB1 HIS 22 -1.539 1.010 -2.820
157 H VAL 23 HN VAL 23 -3.592 1.803 -1.859
158 HA VAL 23 HA VAL 23 -5.775 -0.072 -2.003
159 HB VAL 23 HB VAL 23 -6.081 0.337 0.397
160 HG11 VAL 23 HG11 VAL 23 -3.205 -0.076 -0.398
161 HG12 VAL 23 HG12 VAL 23 -4.459 -1.312 -0.336
162 HG13 VAL 23 HG13 VAL 23 -3.923 -0.526 1.147
163 HG21 VAL 23 HG21 VAL 23 -5.567 2.696 0.518
164 HG22 VAL 23 HG22 VAL 23 -3.896 2.390 0.048
165 HG23 VAL 23 HG23 VAL 23 -4.495 1.806 1.600
166 H MET 24 HN MET 24 -5.423 3.360 -2.090
167 HA MET 24 HA MET 24 -6.855 5.070 -2.415
168 HB2 MET 24 HB2 MET 24 -7.854 3.473 -4.113
169 HB3 MET 24 HB1 MET 24 -9.053 3.063 -2.894
170 HG2 MET 24 HG2 MET 24 -9.822 5.361 -2.839
171 HG3 MET 24 HG1 MET 24 -8.574 5.824 -3.997
172 HE1 MET 24 HE1 MET 24 -11.715 6.162 -6.238
173 HE2 MET 24 HE2 MET 24 -10.211 6.907 -5.697
174 HE3 MET 24 HE3 MET 24 -11.521 6.635 -4.549
175 H GLU 25 HN GLU 25 -9.527 3.085 -1.232
176 HA GLU 25 HA GLU 25 -9.265 4.138 1.437
177 HB2 GLU 25 HB2 GLU 25 -11.369 5.134 -0.448
178 HB3 GLU 25 HB1 GLU 25 -11.711 5.032 1.272
179 HG2 GLU 25 HG2 GLU 25 -9.793 6.498 1.722
180 HG3 GLU 25 HG1 GLU 25 -9.508 6.630 -0.013
181 H PHE 26 HN PHE 26 -9.369 2.136 2.336
182 HA PHE 26 HA PHE 26 -12.025 0.909 2.296
183 HD1 PHE 26 HD1 PHE 26 -9.221 0.609 -0.201
184 HD2 PHE 26 HD2 PHE 26 -12.491 -1.918 0.777
185 HE1 PHE 26 HE1 PHE 26 -9.755 0.381 -2.591
186 HE2 PHE 26 HE2 PHE 26 -13.029 -2.165 -1.592
187 HZ PHE 26 HZ PHE 26 -11.695 -0.816 -3.303
188 HB2 PHE 26 HB2 PHE 26 -9.418 -0.606 2.009
189 HB3 PHE 26 HB1 PHE 26 -10.954 -1.367 2.415
190 H ILE 27 HN ILE 27 -12.507 1.790 4.252
191 HA ILE 27 HA ILE 27 -10.843 0.915 6.510
192 HB ILE 27 HB ILE 27 -10.594 3.260 6.407
193 HG12 ILE 27 HG12 ILE 27 -12.772 2.628 8.391
194 HG13 ILE 27 HG11 ILE 27 -11.044 2.431 8.651
195 HG21 ILE 27 HG21 ILE 27 -12.423 4.852 6.205
196 HG22 ILE 27 HG22 ILE 27 -13.582 3.528 6.127
197 HG23 ILE 27 HG23 ILE 27 -12.405 3.744 4.834
198 HD11 ILE 27 HD11 ILE 27 -11.928 4.422 9.761
199 HD12 ILE 27 HD12 ILE 27 -12.446 5.058 8.197
200 HD13 ILE 27 HD13 ILE 27 -10.730 4.830 8.534
201 H GLU 28 HN GLU 28 -11.875 -0.818 7.232
202 HA GLU 28 HA GLU 28 -14.506 -0.503 8.383
203 HB2 GLU 28 HB2 GLU 28 -14.941 -1.200 6.006
204 HB3 GLU 28 HB1 GLU 28 -14.034 -2.673 6.324
205 HG2 GLU 28 HG2 GLU 28 -15.662 -3.275 8.063
206 HG3 GLU 28 HG1 GLU 28 -16.577 -1.816 7.689
Start of MODEL 10
1 HA SER 1 HA SER 1 8.869 -4.642 6.011
2 HG SER 1 HG SER 1 9.607 -6.676 6.686
3 H1 SER 1 HT1 SER 1 10.777 -5.572 4.875
4 H2 SER 1 HT2 SER 1 11.660 -4.157 5.177
5 H3 SER 1 HT3 SER 1 10.275 -4.103 4.193
6 HB2 SER 1 HB2 SER 1 11.430 -4.726 7.626
7 HB3 SER 1 HB1 SER 1 9.800 -4.851 8.292
8 H SER 2 HN SER 2 11.540 -2.419 5.620
9 HA SER 2 HA SER 2 10.289 -0.323 7.150
10 HG SER 2 HG SER 2 13.546 -0.851 5.072
11 HB2 SER 2 HB2 SER 2 12.037 1.123 6.087
12 HB3 SER 2 HB1 SER 2 12.705 -0.290 6.904
13 H ASP 3 HN ASP 3 9.836 -1.732 4.158
14 HA ASP 3 HA ASP 3 8.715 0.514 2.757
15 HB2 ASP 3 HB2 ASP 3 7.970 -1.247 1.148
16 HB3 ASP 3 HB1 ASP 3 9.697 -1.312 1.492
17 H PHE 4 HN PHE 4 6.404 0.290 1.926
18 HA PHE 4 HA PHE 4 4.659 -0.595 4.130
19 HD1 PHE 4 HD2 PHE 4 4.180 1.288 5.870
20 HD2 PHE 4 HD1 PHE 4 5.745 3.306 2.466
21 HE1 PHE 4 HE2 PHE 4 5.389 2.838 7.349
22 HE2 PHE 4 HE1 PHE 4 6.959 4.860 3.938
23 HZ PHE 4 HZ PHE 4 6.785 4.627 6.384
24 HB2 PHE 4 HB2 PHE 4 4.159 1.658 2.169
25 HB3 PHE 4 HB1 PHE 4 3.115 1.194 3.507
26 H CYS 5 HN CYS 5 3.803 -2.481 3.512
27 HA CYS 5 HA CYS 5 3.245 -2.918 0.678
28 HG CYS 5 HG CYS 5 2.356 -5.189 4.107
29 HB2 CYS 5 HB2 CYS 5 3.031 -5.327 1.419
30 HB3 CYS 5 HB1 CYS 5 4.628 -4.610 1.606
31 H CYS 6 HN CYS 6 1.256 -3.573 -0.089
32 HA CYS 6 HA CYS 6 -1.064 -2.816 1.403
33 HB2 CYS 6 HB2 CYS 6 -1.021 -2.683 -1.062
34 HB3 CYS 6 HB1 CYS 6 -0.850 -4.431 -1.156
35 HA PRO 7 HA PRO 7 -1.082 -6.638 3.694
36 HB2 PRO 7 HB2 PRO 7 -3.322 -6.154 5.145
37 HB3 PRO 7 HB1 PRO 7 -1.768 -5.391 5.494
38 HG2 PRO 7 HG2 PRO 7 -4.129 -4.288 4.021
39 HG3 PRO 7 HG1 PRO 7 -3.084 -3.498 5.217
40 HD2 PRO 7 HD2 PRO 7 -2.821 -3.103 2.546
41 HD3 PRO 7 HD1 PRO 7 -1.446 -3.041 3.669
42 H LYS 8 HN LYS 8 -3.175 -5.699 1.309
43 HA LYS 8 HA LYS 8 -4.862 -8.095 1.527
44 HB2 LYS 8 HB2 LYS 8 -5.231 -5.636 -0.202
45 HB3 LYS 8 HB1 LYS 8 -6.367 -6.965 -0.034
46 HG2 LYS 8 HG2 LYS 8 -6.902 -6.366 2.180
47 HG3 LYS 8 HG1 LYS 8 -5.526 -5.263 2.287
48 HD2 LYS 8 HD2 LYS 8 -6.532 -3.769 0.692
49 HD3 LYS 8 HD1 LYS 8 -7.846 -4.905 0.392
50 HE2 LYS 8 HE2 LYS 8 -7.310 -3.715 3.101
51 HE3 LYS 8 HE1 LYS 8 -8.370 -2.951 1.918
52 HZ1 LYS 8 HZ1 LYS 8 -9.608 -4.307 3.491
53 HZ2 LYS 8 HZ2 LYS 8 -8.726 -5.685 3.041
54 HZ3 LYS 8 HZ3 LYS 8 -9.750 -4.931 1.919
55 H CYS 9 HN CYS 9 -2.050 -7.130 0.118
56 HA CYS 9 HA CYS 9 -2.411 -8.869 -2.211
57 HB2 CYS 9 HB2 CYS 9 -1.315 -6.053 -2.380
58 HB3 CYS 9 HB1 CYS 9 -1.372 -7.208 -3.705
59 H GLN 10 HN GLN 10 -0.195 -8.968 -3.417
60 HA GLN 10 HA GLN 10 1.953 -9.179 -1.420
61 HB2 GLN 10 HB2 GLN 10 1.714 -10.374 -4.195
62 HB3 GLN 10 HB1 GLN 10 3.093 -10.586 -3.122
63 HG2 GLN 10 HG2 GLN 10 0.275 -11.519 -2.630
64 HG3 GLN 10 HG1 GLN 10 1.665 -12.526 -3.041
65 HE21 GLN 10 HE21 GLN 10 3.504 -11.038 -1.333
66 HE22 GLN 10 HE22 GLN 10 3.100 -11.479 0.293
67 H TYR 11 HN TYR 11 1.547 -6.684 -1.856
68 HA TYR 11 HA TYR 11 3.465 -5.816 -3.909
69 HD1 TYR 11 HD1 TYR 11 2.794 -4.280 -6.321
70 HD2 TYR 11 HD2 TYR 11 1.395 -2.299 -2.828
71 HE1 TYR 11 HE1 TYR 11 3.524 -2.131 -7.256
72 HE2 TYR 11 HE2 TYR 11 2.124 -0.136 -3.752
73 HH TYR 11 HH TYR 11 2.930 0.285 -6.995
74 HB2 TYR 11 HB2 TYR 11 1.224 -5.372 -4.757
75 HB3 TYR 11 HB1 TYR 11 0.780 -4.575 -3.252
76 H GLN 12 HN GLN 12 5.067 -4.690 -3.044
77 HA GLN 12 HA GLN 12 4.570 -3.266 -0.518
78 HB2 GLN 12 HB2 GLN 12 6.997 -3.311 -0.173
79 HB3 GLN 12 HB1 GLN 12 6.349 -4.931 -0.367
80 HG2 GLN 12 HG2 GLN 12 7.166 -5.016 -2.646
81 HG3 GLN 12 HG1 GLN 12 7.737 -3.354 -2.520
82 HE21 GLN 12 HE21 GLN 12 7.991 -5.638 0.102
83 HE22 GLN 12 HE22 GLN 12 9.710 -5.809 0.045
84 H ALA 13 HN ALA 13 4.814 -1.110 -0.406
85 HA ALA 13 HA ALA 13 5.730 0.276 -2.841
86 HB1 ALA 13 HB1 ALA 13 3.349 0.617 -2.400
87 HB2 ALA 13 HB2 ALA 13 4.251 2.122 -2.206
88 HB3 ALA 13 HB3 ALA 13 3.730 1.218 -0.784
89 HA PRO 14 HA PRO 14 8.918 1.906 -0.238
90 HB2 PRO 14 HB2 PRO 14 9.916 3.768 -1.887
91 HB3 PRO 14 HB1 PRO 14 10.092 2.040 -2.223
92 HG2 PRO 14 HG2 PRO 14 8.141 4.004 -3.366
93 HG3 PRO 14 HG1 PRO 14 9.070 2.739 -4.193
94 HD2 PRO 14 HD2 PRO 14 6.446 2.469 -3.450
95 HD3 PRO 14 HD1 PRO 14 7.566 1.103 -3.627
96 H ASP 15 HN ASP 15 6.069 3.469 -0.858
97 HA ASP 15 HA ASP 15 6.675 5.579 1.041
98 HB2 ASP 15 HB2 ASP 15 7.187 6.576 -1.169
99 HB3 ASP 15 HB1 ASP 15 5.547 6.207 -1.691
100 H MET 16 HN MET 16 4.857 6.407 2.066
101 HA MET 16 HA MET 16 2.721 4.517 2.250
102 HB2 MET 16 HB2 MET 16 1.822 6.004 4.004
103 HB3 MET 16 HB1 MET 16 3.507 5.584 4.261
104 HG2 MET 16 HG2 MET 16 4.178 7.766 3.379
105 HG3 MET 16 HG1 MET 16 2.481 8.184 3.148
106 HE1 MET 16 HE1 MET 16 3.659 10.408 6.185
107 HE2 MET 16 HE2 MET 16 2.998 10.420 4.549
108 HE3 MET 16 HE3 MET 16 4.661 9.900 4.826
109 H ASP 17 HN ASP 17 3.055 7.679 0.721
110 HA ASP 17 HA ASP 17 0.229 8.047 0.373
111 HB2 ASP 17 HB2 ASP 17 1.850 9.945 0.336
112 HB3 ASP 17 HB1 ASP 17 2.472 9.338 -1.197
113 H THR 18 HN THR 18 2.874 6.785 -1.560
114 HA THR 18 HA THR 18 1.446 6.162 -3.895
115 HB THR 18 HB THR 18 3.708 4.524 -2.728
116 HG1 THR 18 HG1 THR 18 3.681 7.070 -3.959
117 HG21 THR 18 HG21 THR 18 2.632 3.526 -4.674
118 HG22 THR 18 HG22 THR 18 4.246 4.104 -5.096
119 HG23 THR 18 HG23 THR 18 2.825 5.032 -5.573
120 H LEU 19 HN LEU 19 1.883 4.418 -0.853
121 HA LEU 19 HA LEU 19 0.590 2.031 -1.592
122 HG LEU 19 HG LEU 19 -0.874 1.475 1.074
123 HB2 LEU 19 HB2 LEU 19 1.973 2.233 0.423
124 HB3 LEU 19 HB1 LEU 19 0.794 3.321 1.133
125 HD11 LEU 19 HD11 LEU 19 -0.094 -0.811 0.724
126 HD12 LEU 19 HD12 LEU 19 1.498 -0.201 0.266
127 HD13 LEU 19 HD13 LEU 19 0.090 0.165 -0.734
128 HD21 LEU 19 HD21 LEU 19 0.365 1.968 3.105
129 HD22 LEU 19 HD22 LEU 19 1.671 0.902 2.584
130 HD23 LEU 19 HD23 LEU 19 0.079 0.235 2.952
131 H GLN 20 HN GLN 20 -0.646 5.016 -0.111
132 HA GLN 20 HA GLN 20 -3.291 4.172 0.264
133 HB2 GLN 20 HB2 GLN 20 -2.228 6.943 -0.301
134 HB3 GLN 20 HB1 GLN 20 -3.865 6.595 0.234
135 HG2 GLN 20 HG2 GLN 20 -1.325 6.061 1.759
136 HG3 GLN 20 HG1 GLN 20 -2.515 7.316 2.097
137 HE21 GLN 20 HE21 GLN 20 -1.560 5.183 3.815
138 HE22 GLN 20 HE22 GLN 20 -2.950 4.260 4.268
139 H ILE 21 HN ILE 21 -1.656 5.439 -2.571
140 HA ILE 21 HA ILE 21 -3.973 5.715 -4.191
141 HB ILE 21 HB ILE 21 -1.111 5.221 -5.041
142 HG12 ILE 21 HG12 ILE 21 -2.658 7.807 -4.769
143 HG13 ILE 21 HG11 ILE 21 -1.433 7.239 -3.639
144 HG21 ILE 21 HG21 ILE 21 -1.796 6.181 -7.188
145 HG22 ILE 21 HG22 ILE 21 -3.456 6.298 -6.608
146 HG23 ILE 21 HG23 ILE 21 -2.707 4.717 -6.820
147 HD11 ILE 21 HD11 ILE 21 -0.536 8.925 -5.139
148 HD12 ILE 21 HD12 ILE 21 -0.973 7.935 -6.532
149 HD13 ILE 21 HD13 ILE 21 0.253 7.369 -5.398
150 H HIS 22 HN HIS 22 -1.629 3.101 -3.709
151 HA HIS 22 HA HIS 22 -2.667 1.289 -5.573
152 HD1 HIS 22 HD1 HIS 22 -0.710 -1.283 -6.029
153 HD2 HIS 22 HD2 HIS 22 -2.524 -1.541 -2.290
154 HE1 HIS 22 HE1 HIS 22 -1.264 -3.730 -5.670
155 HB2 HIS 22 HB2 HIS 22 -0.512 0.867 -4.595
156 HB3 HIS 22 HB1 HIS 22 -1.194 0.825 -2.973
157 H VAL 23 HN VAL 23 -3.432 1.742 -2.127
158 HA VAL 23 HA VAL 23 -5.345 -0.352 -2.045
159 HB VAL 23 HB VAL 23 -5.342 2.051 -0.225
160 HG11 VAL 23 HG11 VAL 23 -6.297 0.465 1.379
161 HG12 VAL 23 HG12 VAL 23 -6.225 -0.805 0.156
162 HG13 VAL 23 HG13 VAL 23 -7.287 0.584 -0.076
163 HG21 VAL 23 HG21 VAL 23 -3.737 -0.493 0.076
164 HG22 VAL 23 HG22 VAL 23 -3.828 0.829 1.241
165 HG23 VAL 23 HG23 VAL 23 -3.074 1.089 -0.332
166 H MET 24 HN MET 24 -5.667 3.166 -2.335
167 HA MET 24 HA MET 24 -7.153 4.482 -3.413
168 HB2 MET 24 HB2 MET 24 -6.942 2.888 -5.279
169 HB3 MET 24 HB1 MET 24 -8.244 1.924 -4.599
170 HG2 MET 24 HG2 MET 24 -9.096 3.266 -6.395
171 HG3 MET 24 HG1 MET 24 -9.768 3.834 -4.867
172 HE1 MET 24 HE1 MET 24 -10.545 6.106 -5.939
173 HE2 MET 24 HE2 MET 24 -9.944 5.556 -7.503
174 HE3 MET 24 HE3 MET 24 -9.496 7.151 -6.899
175 H GLU 25 HN GLU 25 -8.764 1.546 -2.214
176 HA GLU 25 HA GLU 25 -10.947 3.258 -1.219
177 HB2 GLU 25 HB2 GLU 25 -11.040 0.355 -2.029
178 HB3 GLU 25 HB1 GLU 25 -12.382 1.302 -1.408
179 HG2 GLU 25 HG2 GLU 25 -12.493 2.625 -3.344
180 HG3 GLU 25 HG1 GLU 25 -10.913 2.073 -3.902
181 H PHE 26 HN PHE 26 -10.995 3.442 0.908
182 HA PHE 26 HA PHE 26 -9.840 1.263 2.522
183 HD1 PHE 26 HD1 PHE 26 -7.538 2.262 1.496
184 HD2 PHE 26 HD2 PHE 26 -9.443 5.912 2.593
185 HE1 PHE 26 HE1 PHE 26 -6.209 3.459 -0.173
186 HE2 PHE 26 HE2 PHE 26 -8.091 7.113 0.932
187 HZ PHE 26 HZ PHE 26 -6.467 5.892 -0.454
188 HB2 PHE 26 HB2 PHE 26 -10.050 3.997 3.674
189 HB3 PHE 26 HB1 PHE 26 -8.783 2.787 3.869
190 H ILE 27 HN ILE 27 -12.547 3.212 1.854
191 HA ILE 27 HA ILE 27 -14.728 3.031 2.423
192 HB ILE 27 HB ILE 27 -13.984 0.803 4.328
193 HG12 ILE 27 HG12 ILE 27 -13.158 0.290 2.074
194 HG13 ILE 27 HG11 ILE 27 -14.528 -0.736 2.483
195 HG21 ILE 27 HG21 ILE 27 -16.578 1.519 2.964
196 HG22 ILE 27 HG22 ILE 27 -16.219 1.668 4.684
197 HG23 ILE 27 HG23 ILE 27 -16.307 0.074 3.937
198 HD11 ILE 27 HD11 ILE 27 -14.638 0.053 0.175
199 HD12 ILE 27 HD12 ILE 27 -14.642 1.722 0.747
200 HD13 ILE 27 HD13 ILE 27 -15.992 0.657 1.132
201 H GLU 28 HN GLU 28 -12.271 3.843 4.477
202 HA GLU 28 HA GLU 28 -14.113 5.510 5.998
203 HB2 GLU 28 HB2 GLU 28 -11.915 3.851 7.257
204 HB3 GLU 28 HB1 GLU 28 -12.737 5.170 8.073
205 HG2 GLU 28 HG2 GLU 28 -14.879 3.923 7.744
206 HG3 GLU 28 HG1 GLU 28 -13.919 2.569 7.148