Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16140 | 1zjq RC | 6654 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1HT GLY 1 13.044 5.672 3.983
2 2H GLY 1 2HT GLY 1 11.714 6.276 4.852
3 3H GLY 1 3HT GLY 1 11.774 6.438 3.161
4 1HA GLY 1 2HA GLY 1 11.402 4.180 2.788
5 2HA GLY 1 1HA GLY 1 11.783 3.784 4.464
6 H CYS 2 H CYS 2 9.544 6.026 2.774
7 HA CYS 2 HA CYS 2 7.391 5.093 4.649
8 1HB CYS 2 2HB CYS 2 8.491 7.684 4.048
9 2HB CYS 2 1HB CYS 2 6.800 7.651 3.547
10 H GLY 3 H GLY 3 5.942 3.863 3.537
11 1HA GLY 3 2HA GLY 3 5.690 4.052 0.626
12 2HA GLY 3 1HA GLY 3 4.815 2.936 1.674
13 H GLY 4 H GLY 4 4.440 5.593 -0.284
14 1HA GLY 4 2HA GLY 4 2.134 6.683 1.258
15 2HA GLY 4 1HA GLY 4 2.901 7.474 -0.120
16 H LEU 5 H LEU 5 2.103 7.067 -2.164
17 HA LEU 5 HA LEU 5 -0.245 5.226 -2.333
18 1HB LEU 5 2HB LEU 5 0.465 7.862 -3.313
19 2HB LEU 5 1HB LEU 5 -0.020 6.814 -4.648
20 HG LEU 5 HG LEU 5 -1.624 7.028 -2.094
21 1HD1 LEU 5 1HD1 LEU 5 -1.319 9.234 -3.394
22 2HD1 LEU 5 2HD1 LEU 5 -2.972 8.711 -3.074
23 3HD1 LEU 5 3HD1 LEU 5 -2.263 8.466 -4.670
24 1HD2 LEU 5 1HD2 LEU 5 -3.274 5.843 -3.257
25 2HD2 LEU 5 2HD2 LEU 5 -1.798 5.098 -3.870
26 3HD2 LEU 5 3HD2 LEU 5 -2.638 6.312 -4.835
27 H MET 6 H MET 6 3.045 5.256 -3.144
28 HA MET 6 HA MET 6 2.605 3.078 -5.132
29 1HB MET 6 2HB MET 6 3.122 5.627 -5.924
30 2HB MET 6 1HB MET 6 4.768 5.026 -5.727
31 1HG MET 6 2HG MET 6 4.194 4.508 -7.976
32 2HG MET 6 1HG MET 6 4.016 2.988 -7.099
33 1HE MET 6 1HE MET 6 1.101 5.705 -9.090
34 2HE MET 6 2HE MET 6 2.667 6.074 -8.372
35 3HE MET 6 3HE MET 6 1.210 6.177 -7.388
36 H ALA 7 H ALA 7 3.328 2.694 -2.475
37 HA ALA 7 HA ALA 7 6.228 2.596 -2.110
38 1HB ALA 7 1HB ALA 7 4.290 0.940 -0.542
39 2HB ALA 7 2HB ALA 7 4.139 2.696 -0.458
40 3HB ALA 7 3HB ALA 7 5.643 1.916 0.030
41 H GLY 8 H GLY 8 6.460 -0.012 -0.994
42 1HA GLY 8 2HA GLY 8 6.259 -1.697 -3.464
43 2HA GLY 8 1HA GLY 8 7.619 -1.786 -2.348
44 H CYS 9 H CYS 9 4.808 -3.313 -3.208
45 HA CYS 9 HA CYS 9 4.255 -4.358 -0.458
46 1HB CYS 9 2HB CYS 9 2.581 -3.409 -2.358
47 2HB CYS 9 1HB CYS 9 2.611 -5.107 -2.828
48 H ASP 10 H ASP 10 6.563 -5.114 -2.354
49 HA ASP 10 HA ASP 10 6.071 -7.782 -3.347
50 1HB ASP 10 2HB ASP 10 7.854 -6.238 -4.127
51 2HB ASP 10 1HB ASP 10 8.642 -6.372 -2.555
52 H GLY 11 H GLY 11 7.089 -6.490 -0.229
53 1HA GLY 11 2HA GLY 11 8.053 -8.994 0.854
54 2HA GLY 11 1HA GLY 11 7.650 -7.555 1.787
55 H LYS 12 H LYS 12 4.898 -7.793 0.223
56 HA LYS 12 HA LYS 12 2.778 -8.686 0.642
57 1HB LYS 12 2HB LYS 12 2.835 -10.946 0.513
58 2HB LYS 12 1HB LYS 12 4.587 -10.795 0.536
59 1HG LYS 12 2HG LYS 12 4.267 -10.749 3.150
60 2HG LYS 12 1HG LYS 12 2.719 -11.505 2.778
61 1HD LYS 12 2HD LYS 12 3.687 -13.457 2.067
62 2HD LYS 12 1HD LYS 12 5.095 -12.634 1.396
63 1HE LYS 12 2HE LYS 12 4.746 -12.604 4.375
64 2HE LYS 12 1HE LYS 12 5.333 -14.092 3.608
65 1HZ LYS 12 1HZ LYS 12 7.180 -13.052 2.771
66 2HZ LYS 12 2HZ LYS 12 6.996 -12.188 4.222
67 3HZ LYS 12 3HZ LYS 12 6.463 -11.514 2.757
68 H SER 13 H SER 13 4.696 -7.415 2.915
69 HA SER 13 HA SER 13 2.570 -7.402 4.949
70 1HB SER 13 2HB SER 13 4.072 -8.358 6.685
71 2HB SER 13 1HB SER 13 3.777 -9.503 5.381
72 HG SER 13 HG SER 13 5.805 -9.348 4.782
73 H THR 14 H THR 14 3.913 -5.364 3.314
74 HA THR 14 HA THR 14 5.844 -3.941 4.980
75 HB THR 14 HB THR 14 5.680 -3.887 2.459
76 HG1 THR 14 1HG THR 14 6.810 -2.213 3.106
77 1HG2 THR 14 1HG2 THR 14 3.133 -2.406 3.133
78 2HG2 THR 14 2HG2 THR 14 3.341 -3.788 2.056
79 3HG2 THR 14 3HG2 THR 14 3.955 -2.202 1.586
80 H PHE 15 H PHE 15 5.362 -1.666 5.781
81 HA PHE 15 HA PHE 15 2.570 -1.509 6.882
82 1HB PHE 15 2HB PHE 15 4.533 -1.911 8.430
83 2HB PHE 15 1HB PHE 15 5.143 -0.323 7.969
84 HD1 PHE 15 1HD PHE 15 4.852 1.095 9.818
85 HD2 PHE 15 2HD PHE 15 1.643 -1.509 8.636
86 HE1 PHE 15 1HE PHE 15 3.368 2.157 11.497
87 HE2 PHE 15 2HE PHE 15 0.162 -0.445 10.316
88 HZ PHE 15 HZ PHE 15 1.024 1.388 11.746
89 H CYS 16 H CYS 16 4.260 -0.182 4.417
90 HA CYS 16 HA CYS 16 4.231 1.887 3.294
91 1HB CYS 16 2HB CYS 16 1.650 2.259 4.840
92 2HB CYS 16 1HB CYS 16 2.028 2.832 3.217
93 H CYS 17 H CYS 17 2.982 4.362 4.320
94 HA CYS 17 HA CYS 17 5.074 5.089 6.322
95 1HB CYS 17 2HB CYS 17 4.866 6.242 4.082
96 2HB CYS 17 1HB CYS 17 3.295 6.845 4.603
97 H SER 18 H SER 18 1.827 6.424 5.680
98 HA SER 18 HA SER 18 0.838 5.675 8.345
99 1HB SER 18 2HB SER 18 2.423 7.772 8.414
100 2HB SER 18 1HB SER 18 1.037 8.618 7.731
101 HG SER 18 HG SER 18 0.097 8.514 9.608
102 H GLY 19 H GLY 19 -1.212 5.053 7.776
103 1HA GLY 19 2HA GLY 19 -3.451 5.357 7.075
104 2HA GLY 19 1HA GLY 19 -3.022 6.972 6.513
105 H TYR 20 H TYR 20 -1.645 3.794 5.625
106 HA TYR 20 HA TYR 20 -2.708 4.123 2.848
107 1HB TYR 20 2HB TYR 20 0.188 3.961 3.746
108 2HB TYR 20 1HB TYR 20 -0.299 3.582 2.096
109 HD1 TYR 20 1HD TYR 20 -2.070 5.438 1.119
110 HD2 TYR 20 2HD TYR 20 0.944 6.117 4.098
111 HE1 TYR 20 1HE TYR 20 -2.082 7.856 0.579
112 HE2 TYR 20 2HE TYR 20 0.933 8.536 3.561
113 HH TYR 20 HH TYR 20 -1.083 10.154 2.419
114 H ASN 21 H ASN 21 -3.628 2.157 2.373
115 HA ASN 21 HA ASN 21 -2.738 -0.294 3.784
116 1HB ASN 21 2HB ASN 21 -5.125 0.200 3.589
117 2HB ASN 21 1HB ASN 21 -4.981 0.351 1.838
118 1HD2 ASN 21 1HD2 ASN 21 -5.447 -1.525 0.674
119 2HD2 ASN 21 2HD2 ASN 21 -5.430 -3.096 1.317
120 H CYS 22 H CYS 22 -1.960 -2.168 2.593
121 HA CYS 22 HA CYS 22 -0.513 -1.447 0.119
122 1HB CYS 22 2HB CYS 22 0.089 -2.943 2.305
123 2HB CYS 22 1HB CYS 22 -0.437 -4.207 1.193
124 H SER 23 H SER 23 -0.925 -2.311 -1.902
125 HA SER 23 HA SER 23 -3.462 -3.876 -2.203
126 1HB SER 23 2HB SER 23 -2.113 -1.651 -3.610
127 2HB SER 23 1HB SER 23 -2.826 -2.864 -4.668
128 HG SER 23 HG SER 23 -4.748 -2.240 -4.064
129 HA PRO 24 HA PRO 24 -0.738 -7.143 -3.566
130 1HB PRO 24 2HB PRO 24 -2.697 -8.961 -4.143
131 2HB PRO 24 1HB PRO 24 -2.162 -8.606 -2.489
132 1HG PRO 24 2HG PRO 24 -4.588 -7.688 -3.930
133 2HG PRO 24 1HG PRO 24 -4.373 -8.097 -2.222
134 1HD PRO 24 2HD PRO 24 -4.475 -5.530 -3.215
135 2HD PRO 24 1HD PRO 24 -3.713 -5.991 -1.677
136 H THR 25 H THR 25 -3.509 -5.961 -5.427
137 HA THR 25 HA THR 25 -2.717 -7.216 -7.939
138 HB THR 25 HB THR 25 -4.566 -4.874 -7.378
139 HG1 THR 25 1HG THR 25 -5.716 -6.301 -6.387
140 1HG2 THR 25 1HG2 THR 25 -5.444 -6.650 -9.450
141 2HG2 THR 25 2HG2 THR 25 -3.780 -6.172 -9.786
142 3HG2 THR 25 3HG2 THR 25 -5.026 -4.942 -9.573
143 H TRP 26 H TRP 26 -2.085 -4.124 -6.354
144 HA TRP 26 HA TRP 26 -0.750 -3.066 -8.805
145 1HB TRP 26 2HB TRP 26 -1.361 -1.762 -6.132
146 2HB TRP 26 1HB TRP 26 -0.866 -0.944 -7.611
147 HD1 TRP 26 HD TRP 26 -3.839 -2.772 -6.048
148 HE1 TRP 26 1HE TRP 26 -5.959 -2.231 -7.405
149 HE3 TRP 26 3HE TRP 26 -1.762 -0.207 -9.943
150 HZ2 TRP 26 2HZ TRP 26 -6.681 -0.887 -9.821
151 HZ3 TRP 26 3HZ TRP 26 -3.188 0.693 -11.755
152 HH2 TRP 26 HH TRP 26 -5.643 0.357 -11.701
153 H LYS 27 H LYS 27 -0.010 -4.478 -5.720
154 HA LYS 27 HA LYS 27 2.042 -5.067 -4.749
155 1HB LYS 27 2HB LYS 27 2.431 -5.220 -7.399
156 2HB LYS 27 1HB LYS 27 3.563 -3.916 -7.039
157 1HG LYS 27 2HG LYS 27 4.830 -5.916 -6.815
158 2HG LYS 27 1HG LYS 27 4.458 -5.417 -5.164
159 1HD LYS 27 2HD LYS 27 2.601 -6.994 -5.061
160 2HD LYS 27 1HD LYS 27 2.849 -7.439 -6.751
161 1HE LYS 27 2HE LYS 27 5.300 -8.007 -5.945
162 2HE LYS 27 1HE LYS 27 4.528 -8.123 -4.352
163 1HZ LYS 27 1HZ LYS 27 2.870 -9.604 -5.290
164 2HZ LYS 27 2HZ LYS 27 4.426 -10.240 -5.539
165 3HZ LYS 27 3HZ LYS 27 3.594 -9.494 -6.821
166 H TRP 28 H TRP 28 0.889 -2.350 -4.308
167 HA TRP 28 HA TRP 28 3.254 -1.198 -3.038
168 1HB TRP 28 2HB TRP 28 3.198 0.932 -4.236
169 2HB TRP 28 1HB TRP 28 3.466 -0.388 -5.360
170 HD1 TRP 28 HD TRP 28 0.201 1.224 -3.970
171 HE1 TRP 28 1HE TRP 28 -1.300 1.791 -5.986
172 HE3 TRP 28 3HE TRP 28 3.218 -0.313 -7.775
173 HZ2 TRP 28 2HZ TRP 28 -1.225 1.624 -8.839
174 HZ3 TRP 28 3HZ TRP 28 2.492 -0.093 -10.133
175 HH2 TRP 28 HH TRP 28 0.273 0.873 -10.669
176 H CYS 29 H CYS 29 2.688 0.578 -1.577
177 HA CYS 29 HA CYS 29 0.167 0.167 -0.251
178 1HB CYS 29 2HB CYS 29 2.377 2.222 -0.036
179 2HB CYS 29 1HB CYS 29 0.990 2.212 1.049
180 H VAL 30 H VAL 30 -1.704 1.320 -0.348
181 HA VAL 30 HA VAL 30 -1.853 3.771 -2.068
182 HB VAL 30 HB VAL 30 -4.054 2.835 -2.867
183 1HG1 VAL 30 1HG1 VAL 30 -1.984 2.559 -4.196
184 2HG1 VAL 30 2HG1 VAL 30 -3.084 1.197 -4.404
185 3HG1 VAL 30 3HG1 VAL 30 -1.667 1.035 -3.366
186 1HG2 VAL 30 1HG2 VAL 30 -4.220 1.277 -0.819
187 2HG2 VAL 30 2HG2 VAL 30 -3.127 0.206 -1.696
188 3HG2 VAL 30 3HG2 VAL 30 -4.705 0.604 -2.375
189 H TYR 31 H TYR 31 -4.493 4.409 -1.622
190 HA TYR 31 HA TYR 31 -4.497 5.398 1.092
191 1HB TYR 31 2HB TYR 31 -5.658 6.298 -1.025
192 2HB TYR 31 1HB TYR 31 -6.881 5.055 -0.758
193 HD1 TYR 31 1HD TYR 31 -8.433 5.188 1.103
194 HD2 TYR 31 2HD TYR 31 -5.356 8.141 0.588
195 HE1 TYR 31 1HE TYR 31 -9.549 6.642 2.772
196 HE2 TYR 31 2HE TYR 31 -6.472 9.595 2.258
197 HH TYR 31 HH TYR 31 -9.368 9.544 3.094
198 H ALA 32 H ALA 32 -5.487 4.532 2.929
199 HA ALA 32 HA ALA 32 -6.289 1.690 2.795
200 1HB ALA 32 1HB ALA 32 -5.948 3.658 5.081
201 2HB ALA 32 2HB ALA 32 -4.724 2.527 4.503
202 3HB ALA 32 3HB ALA 32 -6.193 1.921 5.266
203 H ARG 33 H ARG 33 -8.338 0.920 3.519
204 HA ARG 33 HA ARG 33 -10.496 2.997 3.772
205 1HB ARG 33 2HB ARG 33 -10.238 0.492 2.121
206 2HB ARG 33 1HB ARG 33 -11.839 1.040 2.615
207 1HG ARG 33 2HG ARG 33 -11.457 3.218 1.573
208 2HG ARG 33 1HG ARG 33 -9.812 2.750 1.146
209 1HD ARG 33 2HD ARG 33 -10.630 1.924 -0.801
210 2HD ARG 33 1HD ARG 33 -11.490 0.693 0.143
211 HE ARG 33 HE ARG 33 -13.103 2.907 0.427
212 1HH1 ARG 33 1HH2 ARG 33 -13.698 0.454 -1.334
213 2HH1 ARG 33 2HH2 ARG 33 -14.072 1.222 -2.840
214 1HH2 ARG 33 1HH1 ARG 33 -12.711 4.284 -1.923
215 2HH2 ARG 33 2HH1 ARG 33 -13.512 3.394 -3.175
216 HA PRO 34 HA PRO 34 -10.454 -0.080 7.322
217 1HB PRO 34 2HB PRO 34 -10.257 1.760 9.341
218 2HB PRO 34 1HB PRO 34 -8.844 1.035 8.551
219 1HG PRO 34 2HG PRO 34 -10.088 3.703 8.123
220 2HG PRO 34 1HG PRO 34 -8.378 3.244 8.144
221 1HD PRO 34 2HD PRO 34 -9.787 3.683 5.852
222 2HD PRO 34 1HD PRO 34 -8.391 2.586 5.954
Start of MODEL 2
1 1H GLY 1 1HT GLY 1 10.305 4.403 7.526
2 2H GLY 1 2HT GLY 1 11.763 4.932 6.833
3 3H GLY 1 3HT GLY 1 10.530 4.303 5.848
4 1HA GLY 1 2HA GLY 1 10.289 6.783 7.463
5 2HA GLY 1 1HA GLY 1 10.679 6.746 5.743
6 H CYS 2 H CYS 2 8.981 6.780 4.342
7 HA CYS 2 HA CYS 2 6.330 5.721 5.214
8 1HB CYS 2 2HB CYS 2 7.161 8.518 4.885
9 2HB CYS 2 1HB CYS 2 5.732 8.114 3.936
10 H GLY 3 H GLY 3 5.532 4.482 3.547
11 1HA GLY 3 2HA GLY 3 6.796 4.452 0.940
12 2HA GLY 3 1HA GLY 3 5.346 3.553 1.391
13 H GLY 4 H GLY 4 3.288 4.828 1.481
14 1HA GLY 4 2HA GLY 4 2.249 7.064 0.905
15 2HA GLY 4 1HA GLY 4 3.331 7.088 -0.486
16 H LEU 5 H LEU 5 1.591 7.153 -1.999
17 HA LEU 5 HA LEU 5 -0.343 4.896 -2.000
18 1HB LEU 5 2HB LEU 5 -0.592 7.546 -2.483
19 2HB LEU 5 1HB LEU 5 -0.316 6.972 -4.129
20 HG LEU 5 HG LEU 5 -2.284 5.513 -2.398
21 1HD1 LEU 5 1HD1 LEU 5 -2.811 8.114 -3.870
22 2HD1 LEU 5 2HD1 LEU 5 -2.932 7.852 -2.130
23 3HD1 LEU 5 3HD1 LEU 5 -4.065 7.056 -3.223
24 1HD2 LEU 5 1HD2 LEU 5 -1.586 5.806 -5.263
25 2HD2 LEU 5 2HD2 LEU 5 -3.312 5.718 -4.920
26 3HD2 LEU 5 3HD2 LEU 5 -2.243 4.415 -4.403
27 H MET 6 H MET 6 2.741 5.398 -3.219
28 HA MET 6 HA MET 6 2.332 3.324 -5.320
29 1HB MET 6 2HB MET 6 3.442 6.117 -5.624
30 2HB MET 6 1HB MET 6 3.931 4.834 -6.728
31 1HG MET 6 2HG MET 6 2.076 5.298 -7.921
32 2HG MET 6 1HG MET 6 1.150 4.598 -6.594
33 1HE MET 6 1HE MET 6 0.136 6.732 -8.653
34 2HE MET 6 2HE MET 6 -0.778 7.842 -7.636
35 3HE MET 6 3HE MET 6 -0.897 6.106 -7.361
36 H ALA 7 H ALA 7 3.457 3.050 -2.707
37 HA ALA 7 HA ALA 7 6.391 3.196 -2.869
38 1HB ALA 7 1HB ALA 7 4.821 1.669 -0.815
39 2HB ALA 7 2HB ALA 7 4.681 3.425 -0.864
40 3HB ALA 7 3HB ALA 7 6.253 2.673 -0.595
41 H GLY 8 H GLY 8 7.092 0.797 -1.619
42 1HA GLY 8 2HA GLY 8 6.484 -1.211 -3.756
43 2HA GLY 8 1HA GLY 8 8.040 -1.106 -2.930
44 H CYS 9 H CYS 9 5.215 -2.828 -3.012
45 HA CYS 9 HA CYS 9 5.290 -3.512 -0.097
46 1HB CYS 9 2HB CYS 9 3.238 -3.700 -2.305
47 2HB CYS 9 1HB CYS 9 3.035 -4.582 -0.793
48 H ASP 10 H ASP 10 7.394 -4.575 -1.582
49 HA ASP 10 HA ASP 10 6.760 -7.210 -2.666
50 1HB ASP 10 2HB ASP 10 9.309 -5.781 -1.845
51 2HB ASP 10 1HB ASP 10 9.297 -7.364 -2.622
52 H GLY 11 H GLY 11 5.651 -8.303 -0.933
53 1HA GLY 11 2HA GLY 11 6.515 -10.174 0.618
54 2HA GLY 11 1HA GLY 11 7.278 -8.855 1.510
55 H LYS 12 H LYS 12 4.914 -10.827 2.046
56 HA LYS 12 HA LYS 12 2.555 -9.173 2.356
57 1HB LYS 12 2HB LYS 12 1.693 -11.124 3.507
58 2HB LYS 12 1HB LYS 12 2.685 -11.688 2.163
59 1HG LYS 12 2HG LYS 12 4.574 -11.545 4.105
60 2HG LYS 12 1HG LYS 12 3.155 -11.911 5.087
61 1HD LYS 12 2HD LYS 12 2.680 -13.893 3.780
62 2HD LYS 12 1HD LYS 12 3.945 -13.485 2.620
63 1HE LYS 12 2HE LYS 12 4.486 -14.006 5.565
64 2HE LYS 12 1HE LYS 12 4.655 -15.236 4.298
65 1HZ LYS 12 1HZ LYS 12 6.018 -13.406 3.111
66 2HZ LYS 12 2HZ LYS 12 6.754 -14.301 4.354
67 3HZ LYS 12 3HZ LYS 12 6.175 -12.733 4.662
68 H SER 13 H SER 13 5.489 -9.099 4.055
69 HA SER 13 HA SER 13 4.146 -8.107 6.549
70 1HB SER 13 2HB SER 13 6.792 -9.459 5.978
71 2HB SER 13 1HB SER 13 6.467 -8.661 7.514
72 HG SER 13 HG SER 13 5.355 -10.974 6.405
73 H THR 14 H THR 14 4.685 -6.517 4.068
74 HA THR 14 HA THR 14 6.968 -4.769 4.716
75 HB THR 14 HB THR 14 6.265 -5.437 2.401
76 HG1 THR 14 1HG THR 14 7.395 -3.644 2.274
77 1HG2 THR 14 1HG2 THR 14 4.282 -4.195 1.450
78 2HG2 THR 14 2HG2 THR 14 3.847 -3.749 3.098
79 3HG2 THR 14 3HG2 THR 14 3.862 -5.446 2.618
80 H PHE 15 H PHE 15 6.333 -2.256 4.474
81 HA PHE 15 HA PHE 15 3.848 -1.648 6.008
82 1HB PHE 15 2HB PHE 15 5.038 -0.612 7.764
83 2HB PHE 15 1HB PHE 15 5.997 -2.049 7.427
84 HD1 PHE 15 1HD PHE 15 5.909 1.590 7.392
85 HD2 PHE 15 2HD PHE 15 8.086 -1.858 6.036
86 HE1 PHE 15 1HE PHE 15 7.880 3.018 6.924
87 HE2 PHE 15 2HE PHE 15 10.056 -0.427 5.568
88 HZ PHE 15 HZ PHE 15 9.953 2.010 6.012
89 H CYS 16 H CYS 16 3.095 0.511 5.691
90 HA CYS 16 HA CYS 16 4.417 1.988 3.433
91 1HB CYS 16 2HB CYS 16 1.525 2.025 4.372
92 2HB CYS 16 1HB CYS 16 2.155 2.713 2.876
93 H CYS 17 H CYS 17 2.522 4.283 4.072
94 HA CYS 17 HA CYS 17 4.245 5.561 6.110
95 1HB CYS 17 2HB CYS 17 3.604 6.568 3.869
96 2HB CYS 17 1HB CYS 17 1.958 6.708 4.485
97 H SER 18 H SER 18 0.714 5.424 5.534
98 HA SER 18 HA SER 18 0.312 5.375 8.510
99 1HB SER 18 2HB SER 18 -1.301 6.737 6.320
100 2HB SER 18 1HB SER 18 -1.722 6.742 8.031
101 HG SER 18 HG SER 18 0.190 8.170 6.658
102 H GLY 19 H GLY 19 -2.698 5.227 7.260
103 1HA GLY 19 2HA GLY 19 -2.988 2.390 7.694
104 2HA GLY 19 1HA GLY 19 -4.238 3.467 7.075
105 H TYR 20 H TYR 20 -1.936 4.184 4.984
106 HA TYR 20 HA TYR 20 -2.871 3.115 2.652
107 1HB TYR 20 2HB TYR 20 -0.117 3.717 3.693
108 2HB TYR 20 1HB TYR 20 -0.284 3.040 2.076
109 HD1 TYR 20 1HD TYR 20 -1.074 5.922 4.247
110 HD2 TYR 20 2HD TYR 20 -1.285 4.311 0.270
111 HE1 TYR 20 1HE TYR 20 -1.637 8.169 3.366
112 HE2 TYR 20 2HE TYR 20 -1.851 6.559 -0.609
113 HH TYR 20 HH TYR 20 -1.268 9.229 0.671
114 H ASN 21 H ASN 21 -3.475 0.986 2.270
115 HA ASN 21 HA ASN 21 -1.917 -1.252 3.437
116 1HB ASN 21 2HB ASN 21 -4.603 -0.722 2.523
117 2HB ASN 21 1HB ASN 21 -3.971 -2.124 1.663
118 1HD2 ASN 21 1HD2 ASN 21 -3.740 -4.084 2.837
119 2HD2 ASN 21 2HD2 ASN 21 -4.085 -4.230 4.493
120 H CYS 22 H CYS 22 -1.789 -3.196 1.586
121 HA CYS 22 HA CYS 22 -0.296 -1.942 -0.699
122 1HB CYS 22 2HB CYS 22 -0.031 -4.544 0.819
123 2HB CYS 22 1HB CYS 22 0.794 -4.271 -0.715
124 H SER 23 H SER 23 -0.705 -2.722 -2.827
125 HA SER 23 HA SER 23 -3.357 -3.957 -3.212
126 1HB SER 23 2HB SER 23 -2.136 -1.999 -4.503
127 2HB SER 23 1HB SER 23 -1.404 -3.320 -5.406
128 HG SER 23 HG SER 23 -4.157 -2.719 -5.078
129 HA PRO 24 HA PRO 24 -1.765 -8.034 -3.742
130 1HB PRO 24 2HB PRO 24 -3.851 -9.123 -5.143
131 2HB PRO 24 1HB PRO 24 -3.925 -8.776 -3.406
132 1HG PRO 24 2HG PRO 24 -5.033 -7.232 -5.692
133 2HG PRO 24 1HG PRO 24 -5.716 -7.518 -4.084
134 1HD PRO 24 2HD PRO 24 -4.495 -5.188 -4.825
135 2HD PRO 24 1HD PRO 24 -4.578 -5.772 -3.150
136 H THR 25 H THR 25 -2.706 -6.064 -6.504
137 HA THR 25 HA THR 25 -1.047 -7.817 -8.287
138 HB THR 25 HB THR 25 -3.363 -7.773 -8.968
139 HG1 THR 25 1HG THR 25 -2.247 -7.650 -10.782
140 1HG2 THR 25 1HG2 THR 25 -3.133 -4.911 -8.251
141 2HG2 THR 25 2HG2 THR 25 -4.515 -5.997 -8.125
142 3HG2 THR 25 3HG2 THR 25 -4.109 -5.263 -9.676
143 H TRP 26 H TRP 26 -1.506 -4.524 -7.112
144 HA TRP 26 HA TRP 26 0.303 -3.362 -9.127
145 1HB TRP 26 2HB TRP 26 -0.865 -2.188 -6.586
146 2HB TRP 26 1HB TRP 26 -0.176 -1.294 -7.930
147 HD1 TRP 26 HD TRP 26 -1.752 -3.568 -9.951
148 HE1 TRP 26 1HE TRP 26 -4.204 -3.022 -10.494
149 HE3 TRP 26 3HE TRP 26 -2.754 -0.200 -6.245
150 HZ2 TRP 26 2HZ TRP 26 -6.315 -1.358 -9.510
151 HZ3 TRP 26 3HZ TRP 26 -4.989 0.854 -6.077
152 HH2 TRP 26 HH TRP 26 -6.769 0.281 -7.703
153 H LYS 27 H LYS 27 0.630 -4.818 -5.993
154 HA LYS 27 HA LYS 27 2.492 -5.164 -4.610
155 1HB LYS 27 2HB LYS 27 3.566 -4.612 -7.334
156 2HB LYS 27 1HB LYS 27 4.720 -4.574 -6.002
157 1HG LYS 27 2HG LYS 27 2.775 -6.859 -6.340
158 2HG LYS 27 1HG LYS 27 4.339 -6.847 -7.154
159 1HD LYS 27 2HD LYS 27 5.472 -7.282 -5.237
160 2HD LYS 27 1HD LYS 27 4.490 -6.159 -4.296
161 1HE LYS 27 2HE LYS 27 2.642 -7.851 -4.273
162 2HE LYS 27 1HE LYS 27 3.725 -8.990 -5.094
163 1HZ LYS 27 1HZ LYS 27 4.278 -7.632 -2.506
164 2HZ LYS 27 2HZ LYS 27 5.330 -8.701 -3.305
165 3HZ LYS 27 3HZ LYS 27 3.850 -9.262 -2.691
166 H TRP 28 H TRP 28 1.261 -2.290 -4.904
167 HA TRP 28 HA TRP 28 3.525 -0.983 -3.459
168 1HB TRP 28 2HB TRP 28 3.154 1.093 -4.664
169 2HB TRP 28 1HB TRP 28 3.425 -0.197 -5.823
170 HD1 TRP 28 HD TRP 28 0.199 1.131 -4.083
171 HE1 TRP 28 1HE TRP 28 -1.567 1.518 -5.921
172 HE3 TRP 28 3HE TRP 28 2.912 -0.166 -8.203
173 HZ2 TRP 28 2HZ TRP 28 -1.796 1.318 -8.762
174 HZ3 TRP 28 3HZ TRP 28 1.901 -0.053 -10.462
175 HH2 TRP 28 HH TRP 28 -0.447 0.689 -10.748
176 H CYS 29 H CYS 29 2.815 0.743 -1.988
177 HA CYS 29 HA CYS 29 0.504 -0.007 -0.450
178 1HB CYS 29 2HB CYS 29 2.332 2.407 -0.469
179 2HB CYS 29 1HB CYS 29 1.103 2.141 0.765
180 H VAL 30 H VAL 30 -1.572 0.768 -0.519
181 HA VAL 30 HA VAL 30 -2.186 3.086 -2.324
182 HB VAL 30 HB VAL 30 -4.281 1.853 -2.855
183 1HG1 VAL 30 1HG1 VAL 30 -2.249 1.538 -4.241
184 2HG1 VAL 30 2HG1 VAL 30 -3.261 0.095 -4.215
185 3HG1 VAL 30 3HG1 VAL 30 -1.794 0.162 -3.238
186 1HG2 VAL 30 1HG2 VAL 30 -3.464 -0.745 -1.869
187 2HG2 VAL 30 2HG2 VAL 30 -4.977 0.118 -1.592
188 3HG2 VAL 30 3HG2 VAL 30 -3.597 0.394 -0.529
189 H TYR 31 H TYR 31 -4.250 4.221 -1.655
190 HA TYR 31 HA TYR 31 -4.269 4.902 1.123
191 1HB TYR 31 2HB TYR 31 -5.153 6.106 -1.029
192 2HB TYR 31 1HB TYR 31 -6.640 5.212 -0.716
193 HD1 TYR 31 1HD TYR 31 -4.111 7.034 1.392
194 HD2 TYR 31 2HD TYR 31 -8.253 6.459 0.405
195 HE1 TYR 31 1HE TYR 31 -4.752 8.697 3.114
196 HE2 TYR 31 2HE TYR 31 -8.893 8.123 2.129
197 HH TYR 31 HH TYR 31 -7.255 8.997 4.538
198 H ALA 32 H ALA 32 -5.653 4.259 2.819
199 HA ALA 32 HA ALA 32 -7.154 1.707 2.356
200 1HB ALA 32 1HB ALA 32 -6.737 1.317 4.714
201 2HB ALA 32 2HB ALA 32 -6.186 2.978 4.936
202 3HB ALA 32 3HB ALA 32 -5.224 1.849 3.981
203 H ARG 33 H ARG 33 -9.234 2.443 1.772
204 HA ARG 33 HA ARG 33 -10.883 3.565 3.914
205 1HB ARG 33 2HB ARG 33 -9.507 5.291 2.112
206 2HB ARG 33 1HB ARG 33 -11.216 5.352 1.682
207 1HG ARG 33 2HG ARG 33 -10.250 5.617 4.537
208 2HG ARG 33 1HG ARG 33 -10.464 7.008 3.474
209 1HD ARG 33 2HD ARG 33 -12.787 5.225 3.414
210 2HD ARG 33 1HD ARG 33 -12.465 5.865 5.038
211 HE ARG 33 HE ARG 33 -12.543 7.686 2.663
212 1HH1 ARG 33 1HH1 ARG 33 -15.068 6.833 4.322
213 2HH1 ARG 33 2HH1 ARG 33 -15.251 8.240 5.317
214 1HH2 ARG 33 1HH2 ARG 33 -12.083 9.480 4.603
215 2HH2 ARG 33 2HH2 ARG 33 -13.555 9.742 5.475
216 HA PRO 34 HA PRO 34 -13.585 1.076 1.368
217 1HB PRO 34 2HB PRO 34 -15.795 1.291 2.973
218 2HB PRO 34 1HB PRO 34 -14.441 0.201 3.329
219 1HG PRO 34 2HG PRO 34 -15.070 2.876 4.474
220 2HG PRO 34 1HG PRO 34 -14.427 1.430 5.269
221 1HD PRO 34 2HD PRO 34 -12.883 3.558 4.550
222 2HD PRO 34 1HD PRO 34 -12.269 1.893 4.660
Start of MODEL 3
1 1H GLY 1 1HT GLY 1 12.253 3.502 6.723
2 2H GLY 1 2HT GLY 1 11.112 4.739 6.968
3 3H GLY 1 3HT GLY 1 11.710 4.427 5.410
4 1HA GLY 1 2HA GLY 1 10.579 2.384 5.245
5 2HA GLY 1 1HA GLY 1 10.192 2.414 6.967
6 H CYS 2 H CYS 2 9.487 3.942 3.855
7 HA CYS 2 HA CYS 2 6.790 4.680 4.886
8 1HB CYS 2 2HB CYS 2 8.207 6.630 5.256
9 2HB CYS 2 1HB CYS 2 8.817 6.544 3.604
10 H GLY 3 H GLY 3 5.221 4.438 3.298
11 1HA GLY 3 2HA GLY 3 6.154 3.547 0.614
12 2HA GLY 3 1HA GLY 3 4.579 3.177 1.315
13 H GLY 4 H GLY 4 2.906 4.392 0.580
14 1HA GLY 4 2HA GLY 4 2.389 6.991 0.373
15 2HA GLY 4 1HA GLY 4 3.519 6.847 -0.973
16 H LEU 5 H LEU 5 2.157 7.104 -2.719
17 HA LEU 5 HA LEU 5 -0.341 5.479 -2.857
18 1HB LEU 5 2HB LEU 5 0.222 8.098 -3.409
19 2HB LEU 5 1HB LEU 5 0.391 7.383 -5.010
20 HG LEU 5 HG LEU 5 -1.937 8.209 -4.462
21 1HD1 LEU 5 1HD1 LEU 5 -1.259 6.256 -6.066
22 2HD1 LEU 5 2HD1 LEU 5 -2.958 6.471 -5.648
23 3HD1 LEU 5 3HD1 LEU 5 -2.002 5.227 -4.842
24 1HD2 LEU 5 1HD2 LEU 5 -1.468 6.697 -2.097
25 2HD2 LEU 5 2HD2 LEU 5 -2.768 5.893 -2.973
26 3HD2 LEU 5 3HD2 LEU 5 -2.922 7.593 -2.535
27 H MET 6 H MET 6 2.901 5.516 -4.054
28 HA MET 6 HA MET 6 2.307 3.190 -5.792
29 1HB MET 6 2HB MET 6 2.516 5.828 -6.760
30 2HB MET 6 1HB MET 6 4.056 5.068 -7.158
31 1HG MET 6 2HG MET 6 3.096 3.562 -8.600
32 2HG MET 6 1HG MET 6 1.597 3.468 -7.673
33 1HE MET 6 1HE MET 6 1.861 3.410 -10.607
34 2HE MET 6 2HE MET 6 0.888 4.656 -11.386
35 3HE MET 6 3HE MET 6 0.169 3.638 -10.140
36 H ALA 7 H ALA 7 3.670 3.279 -3.312
37 HA ALA 7 HA ALA 7 6.583 3.340 -3.840
38 1HB ALA 7 1HB ALA 7 5.682 2.283 -1.279
39 2HB ALA 7 2HB ALA 7 4.856 3.789 -1.682
40 3HB ALA 7 3HB ALA 7 6.616 3.741 -1.613
41 H GLY 8 H GLY 8 7.404 1.249 -2.182
42 1HA GLY 8 2HA GLY 8 6.523 -1.145 -3.747
43 2HA GLY 8 1HA GLY 8 8.146 -0.944 -3.084
44 H CYS 9 H CYS 9 4.927 -2.012 -2.418
45 HA CYS 9 HA CYS 9 5.605 -2.403 0.473
46 1HB CYS 9 2HB CYS 9 3.213 -2.451 0.811
47 2HB CYS 9 1HB CYS 9 3.567 -1.087 -0.245
48 H ASP 10 H ASP 10 6.744 -4.194 -1.497
49 HA ASP 10 HA ASP 10 5.202 -6.611 -1.813
50 1HB ASP 10 2HB ASP 10 7.258 -5.861 -3.095
51 2HB ASP 10 1HB ASP 10 8.214 -6.278 -1.674
52 H GLY 11 H GLY 11 5.736 -8.703 -0.702
53 1HA GLY 11 2HA GLY 11 6.860 -9.784 1.254
54 2HA GLY 11 1HA GLY 11 6.580 -8.285 2.140
55 H LYS 12 H LYS 12 3.822 -8.348 0.561
56 HA LYS 12 HA LYS 12 1.616 -8.978 1.090
57 1HB LYS 12 2HB LYS 12 3.074 -11.473 2.036
58 2HB LYS 12 1HB LYS 12 1.357 -11.369 1.657
59 1HG LYS 12 2HG LYS 12 1.824 -10.900 -0.667
60 2HG LYS 12 1HG LYS 12 3.552 -10.752 -0.340
61 1HD LYS 12 2HD LYS 12 2.337 -13.303 0.537
62 2HD LYS 12 1HD LYS 12 2.354 -13.051 -1.208
63 1HE LYS 12 2HE LYS 12 4.452 -14.050 -0.851
64 2HE LYS 12 1HE LYS 12 4.870 -12.328 -0.773
65 1HZ LYS 12 1HZ LYS 12 4.026 -13.881 1.611
66 2HZ LYS 12 2HZ LYS 12 4.758 -12.348 1.568
67 3HZ LYS 12 3HZ LYS 12 5.653 -13.732 1.155
68 H SER 13 H SER 13 3.579 -7.821 3.235
69 HA SER 13 HA SER 13 1.682 -7.767 5.429
70 1HB SER 13 2HB SER 13 2.926 -10.098 5.371
71 2HB SER 13 1HB SER 13 4.254 -9.188 6.083
72 HG SER 13 HG SER 13 1.684 -9.723 7.083
73 H THR 14 H THR 14 3.267 -5.849 3.857
74 HA THR 14 HA THR 14 5.277 -4.833 5.809
75 HB THR 14 HB THR 14 5.699 -5.152 3.306
76 HG1 THR 14 1HG THR 14 7.125 -3.850 4.250
77 1HG2 THR 14 1HG2 THR 14 3.770 -4.385 2.222
78 2HG2 THR 14 2HG2 THR 14 4.880 -3.030 2.017
79 3HG2 THR 14 3HG2 THR 14 3.632 -2.965 3.258
80 H PHE 15 H PHE 15 5.270 -2.283 5.872
81 HA PHE 15 HA PHE 15 2.456 -1.275 6.118
82 1HB PHE 15 2HB PHE 15 3.590 -1.944 8.287
83 2HB PHE 15 1HB PHE 15 4.775 -0.674 7.980
84 HD1 PHE 15 1HD PHE 15 4.339 1.526 8.678
85 HD2 PHE 15 2HD PHE 15 1.076 -1.232 8.222
86 HE1 PHE 15 1HE PHE 15 2.783 3.209 9.624
87 HE2 PHE 15 2HE PHE 15 -0.479 0.452 9.168
88 HZ PHE 15 HZ PHE 15 0.375 2.672 9.869
89 H CYS 16 H CYS 16 2.153 0.758 5.246
90 HA CYS 16 HA CYS 16 4.334 1.972 3.701
91 1HB CYS 16 2HB CYS 16 1.529 3.006 4.224
92 2HB CYS 16 1HB CYS 16 2.552 3.341 2.829
93 H CYS 17 H CYS 17 3.162 4.741 4.227
94 HA CYS 17 HA CYS 17 4.965 5.474 6.423
95 1HB CYS 17 2HB CYS 17 3.864 6.649 4.112
96 2HB CYS 17 1HB CYS 17 3.175 7.553 5.458
97 H SER 18 H SER 18 1.598 6.481 5.866
98 HA SER 18 HA SER 18 0.625 5.473 8.425
99 1HB SER 18 2HB SER 18 0.374 7.727 9.446
100 2HB SER 18 1HB SER 18 2.062 7.340 9.142
101 HG SER 18 HG SER 18 2.145 8.963 7.821
102 H GLY 19 H GLY 19 -1.383 4.863 7.673
103 1HA GLY 19 2HA GLY 19 -3.659 5.354 7.097
104 2HA GLY 19 1HA GLY 19 -3.148 6.942 6.524
105 H TYR 20 H TYR 20 -1.296 4.191 5.486
106 HA TYR 20 HA TYR 20 -2.677 4.218 2.821
107 1HB TYR 20 2HB TYR 20 0.219 4.538 3.609
108 2HB TYR 20 1HB TYR 20 -0.192 3.879 2.028
109 HD1 TYR 20 1HD TYR 20 -0.391 6.851 4.214
110 HD2 TYR 20 2HD TYR 20 -1.221 5.263 0.309
111 HE1 TYR 20 1HE TYR 20 -0.770 9.147 3.359
112 HE2 TYR 20 2HE TYR 20 -1.602 7.560 -0.541
113 HH TYR 20 HH TYR 20 -0.572 10.132 0.596
114 H ASN 21 H ASN 21 -2.980 2.141 1.967
115 HA ASN 21 HA ASN 21 -1.914 -0.147 3.578
116 1HB ASN 21 2HB ASN 21 -4.451 0.465 3.115
117 2HB ASN 21 1HB ASN 21 -4.143 -0.330 1.572
118 1HD2 ASN 21 1HD2 ASN 21 -4.296 -2.593 1.565
119 2HD2 ASN 21 2HD2 ASN 21 -4.327 -3.559 2.960
120 H CYS 22 H CYS 22 -1.711 -2.220 2.085
121 HA CYS 22 HA CYS 22 -0.189 -1.416 -0.372
122 1HB CYS 22 2HB CYS 22 1.239 -2.397 1.278
123 2HB CYS 22 1HB CYS 22 0.069 -3.666 1.637
124 H SER 23 H SER 23 -0.773 -2.372 -2.327
125 HA SER 23 HA SER 23 -3.256 -3.991 -2.361
126 1HB SER 23 2HB SER 23 -2.950 -2.045 -3.856
127 2HB SER 23 1HB SER 23 -1.518 -2.802 -4.549
128 HG SER 23 HG SER 23 -4.218 -3.395 -4.888
129 HA PRO 24 HA PRO 24 -0.919 -7.732 -2.828
130 1HB PRO 24 2HB PRO 24 -2.974 -9.363 -3.598
131 2HB PRO 24 1HB PRO 24 -2.746 -8.817 -1.925
132 1HG PRO 24 2HG PRO 24 -4.626 -7.816 -4.002
133 2HG PRO 24 1HG PRO 24 -4.871 -8.023 -2.261
134 1HD PRO 24 2HD PRO 24 -4.367 -5.615 -3.453
135 2HD PRO 24 1HD PRO 24 -3.964 -5.989 -1.762
136 H THR 25 H THR 25 -2.724 -6.218 -5.418
137 HA THR 25 HA THR 25 -1.466 -8.020 -7.446
138 HB THR 25 HB THR 25 -3.672 -5.958 -7.742
139 HG1 THR 25 1HG THR 25 -3.732 -8.722 -7.127
140 1HG2 THR 25 1HG2 THR 25 -4.197 -7.633 -9.685
141 2HG2 THR 25 2HG2 THR 25 -2.511 -8.110 -9.490
142 3HG2 THR 25 3HG2 THR 25 -2.913 -6.444 -9.901
143 H TRP 26 H TRP 26 -1.602 -4.657 -6.357
144 HA TRP 26 HA TRP 26 -0.044 -3.699 -8.684
145 1HB TRP 26 2HB TRP 26 -0.907 -2.265 -6.153
146 2HB TRP 26 1HB TRP 26 -0.391 -1.525 -7.661
147 HD1 TRP 26 HD TRP 26 -2.168 -3.831 -9.354
148 HE1 TRP 26 1HE TRP 26 -4.684 -3.344 -9.608
149 HE3 TRP 26 3HE TRP 26 -2.796 -0.433 -5.594
150 HZ2 TRP 26 2HZ TRP 26 -6.698 -1.728 -8.383
151 HZ3 TRP 26 3HZ TRP 26 -5.022 0.566 -5.163
152 HH2 TRP 26 HH TRP 26 -6.972 -0.077 -6.551
153 H LYS 27 H LYS 27 0.483 -4.648 -5.348
154 HA LYS 27 HA LYS 27 2.480 -5.045 -4.178
155 1HB LYS 27 2HB LYS 27 3.079 -5.471 -6.788
156 2HB LYS 27 1HB LYS 27 4.185 -4.142 -6.436
157 1HG LYS 27 2HG LYS 27 4.274 -5.957 -4.232
158 2HG LYS 27 1HG LYS 27 4.444 -6.898 -5.714
159 1HD LYS 27 2HD LYS 27 6.007 -4.513 -5.984
160 2HD LYS 27 1HD LYS 27 6.403 -5.265 -4.440
161 1HE LYS 27 2HE LYS 27 7.800 -6.571 -5.710
162 2HE LYS 27 1HE LYS 27 6.315 -7.456 -6.110
163 1HZ LYS 27 1HZ LYS 27 5.951 -5.985 -7.973
164 2HZ LYS 27 2HZ LYS 27 7.490 -6.689 -8.109
165 3HZ LYS 27 3HZ LYS 27 7.333 -5.081 -7.584
166 H TRP 28 H TRP 28 1.332 -2.084 -4.942
167 HA TRP 28 HA TRP 28 3.619 -0.724 -3.564
168 1HB TRP 28 2HB TRP 28 3.159 1.258 -4.918
169 2HB TRP 28 1HB TRP 28 3.439 -0.121 -5.967
170 HD1 TRP 28 HD TRP 28 0.247 1.325 -4.269
171 HE1 TRP 28 1HE TRP 28 -1.591 1.481 -6.067
172 HE3 TRP 28 3HE TRP 28 2.820 -0.420 -8.313
173 HZ2 TRP 28 2HZ TRP 28 -1.927 0.943 -8.852
174 HZ3 TRP 28 3HZ TRP 28 1.719 -0.588 -10.527
175 HH2 TRP 28 HH TRP 28 -0.649 0.093 -10.803
176 H CYS 29 H CYS 29 2.921 1.171 -2.230
177 HA CYS 29 HA CYS 29 0.592 0.494 -0.631
178 1HB CYS 29 2HB CYS 29 2.679 2.658 -0.667
179 2HB CYS 29 1HB CYS 29 1.289 2.798 0.406
180 H VAL 30 H VAL 30 -1.346 1.633 -0.436
181 HA VAL 30 HA VAL 30 -1.898 3.878 -2.329
182 HB VAL 30 HB VAL 30 -3.998 2.741 -2.980
183 1HG1 VAL 30 1HG1 VAL 30 -1.787 0.715 -3.286
184 2HG1 VAL 30 2HG1 VAL 30 -1.732 2.270 -4.118
185 3HG1 VAL 30 3HG1 VAL 30 -3.052 1.146 -4.436
186 1HG2 VAL 30 1HG2 VAL 30 -4.466 1.486 -0.952
187 2HG2 VAL 30 2HG2 VAL 30 -2.990 0.543 -1.145
188 3HG2 VAL 30 3HG2 VAL 30 -4.318 0.344 -2.287
189 H TYR 31 H TYR 31 -4.440 4.498 -1.681
190 HA TYR 31 HA TYR 31 -4.272 5.508 1.013
191 1HB TYR 31 2HB TYR 31 -5.554 6.454 -0.966
192 2HB TYR 31 1HB TYR 31 -6.743 5.174 -0.714
193 HD1 TYR 31 1HD TYR 31 -8.405 5.368 0.961
194 HD2 TYR 31 2HD TYR 31 -5.027 8.022 0.979
195 HE1 TYR 31 1HE TYR 31 -9.455 6.692 2.774
196 HE2 TYR 31 2HE TYR 31 -6.079 9.347 2.791
197 HH TYR 31 HH TYR 31 -8.968 9.516 3.507
198 H ALA 32 H ALA 32 -4.906 4.563 2.912
199 HA ALA 32 HA ALA 32 -5.959 1.800 2.854
200 1HB ALA 32 1HB ALA 32 -4.074 3.041 4.324
201 2HB ALA 32 2HB ALA 32 -4.996 1.672 4.950
202 3HB ALA 32 3HB ALA 32 -5.465 3.321 5.374
203 H ARG 33 H ARG 33 -8.077 1.295 3.314
204 HA ARG 33 HA ARG 33 -10.057 3.402 3.640
205 1HB ARG 33 2HB ARG 33 -10.326 1.202 2.427
206 2HB ARG 33 1HB ARG 33 -10.322 0.399 3.999
207 1HG ARG 33 2HG ARG 33 -12.284 1.679 4.698
208 2HG ARG 33 1HG ARG 33 -12.270 2.573 3.177
209 1HD ARG 33 2HD ARG 33 -12.415 -0.439 3.140
210 2HD ARG 33 1HD ARG 33 -13.883 0.528 3.380
211 HE ARG 33 HE ARG 33 -12.989 1.804 1.254
212 1HH1 ARG 33 1HH1 ARG 33 -10.854 -0.408 0.979
213 2HH1 ARG 33 2HH1 ARG 33 -11.580 -1.397 -0.242
214 1HH2 ARG 33 1HH2 ARG 33 -14.726 0.041 0.089
215 2HH2 ARG 33 2HH2 ARG 33 -13.778 -1.143 -0.748
216 HA PRO 34 HA PRO 34 -9.474 3.338 8.095
217 1HB PRO 34 2HB PRO 34 -10.923 5.602 8.591
218 2HB PRO 34 1HB PRO 34 -9.252 5.637 7.999
219 1HG PRO 34 2HG PRO 34 -11.786 6.103 6.539
220 2HG PRO 34 1HG PRO 34 -10.188 6.818 6.291
221 1HD PRO 34 2HD PRO 34 -11.297 4.792 4.754
222 2HD PRO 34 1HD PRO 34 -9.571 5.198 4.836
Start of MODEL 4
1 1H GLY 1 1HT GLY 1 10.771 7.551 4.128
2 2H GLY 1 2HT GLY 1 10.843 5.854 4.180
3 3H GLY 1 3HT GLY 1 12.108 6.782 4.832
4 1HA GLY 1 2HA GLY 1 10.925 6.106 6.699
5 2HA GLY 1 1HA GLY 1 10.367 7.751 6.395
6 H CYS 2 H CYS 2 8.506 7.689 4.566
7 HA CYS 2 HA CYS 2 6.468 5.737 5.572
8 1HB CYS 2 2HB CYS 2 6.507 8.577 4.660
9 2HB CYS 2 1HB CYS 2 5.055 7.646 4.294
10 H GLY 3 H GLY 3 4.986 4.819 3.956
11 1HA GLY 3 2HA GLY 3 6.328 3.998 1.521
12 2HA GLY 3 1HA GLY 3 4.665 3.605 1.962
13 H GLY 4 H GLY 4 2.983 4.987 1.278
14 1HA GLY 4 2HA GLY 4 2.723 7.465 0.384
15 2HA GLY 4 1HA GLY 4 3.740 6.844 -0.916
16 H LEU 5 H LEU 5 1.898 7.320 -2.347
17 HA LEU 5 HA LEU 5 -0.492 5.582 -2.044
18 1HB LEU 5 2HB LEU 5 -0.114 8.162 -2.846
19 2HB LEU 5 1HB LEU 5 -0.144 7.338 -4.406
20 HG LEU 5 HG LEU 5 -2.223 6.444 -2.511
21 1HD1 LEU 5 1HD1 LEU 5 -2.718 9.088 -3.837
22 2HD1 LEU 5 2HD1 LEU 5 -1.880 9.058 -2.286
23 3HD1 LEU 5 3HD1 LEU 5 -3.503 8.383 -2.424
24 1HD2 LEU 5 1HD2 LEU 5 -3.398 6.086 -4.464
25 2HD2 LEU 5 2HD2 LEU 5 -1.767 6.090 -5.134
26 3HD2 LEU 5 3HD2 LEU 5 -2.764 7.540 -5.236
27 H MET 6 H MET 6 2.568 5.325 -3.435
28 HA MET 6 HA MET 6 1.704 3.063 -5.142
29 1HB MET 6 2HB MET 6 2.703 5.710 -6.045
30 2HB MET 6 1HB MET 6 3.450 4.316 -6.826
31 1HG MET 6 2HG MET 6 1.034 3.452 -7.156
32 2HG MET 6 1HG MET 6 0.539 5.103 -6.785
33 1HE MET 6 1HE MET 6 0.059 3.470 -9.679
34 2HE MET 6 2HE MET 6 0.058 4.983 -10.583
35 3HE MET 6 3HE MET 6 -0.665 4.924 -8.978
36 H ALA 7 H ALA 7 3.310 3.484 -2.617
37 HA ALA 7 HA ALA 7 6.126 3.130 -3.245
38 1HB ALA 7 1HB ALA 7 4.595 3.782 -1.053
39 2HB ALA 7 2HB ALA 7 6.310 3.375 -0.987
40 3HB ALA 7 3HB ALA 7 5.096 2.136 -0.662
41 H GLY 8 H GLY 8 7.125 1.261 -3.860
42 1HA GLY 8 2HA GLY 8 5.749 -1.166 -4.386
43 2HA GLY 8 1HA GLY 8 7.502 -1.016 -4.273
44 H CYS 9 H CYS 9 4.996 -2.676 -2.994
45 HA CYS 9 HA CYS 9 5.767 -2.632 -0.154
46 1HB CYS 9 2HB CYS 9 3.839 -4.251 -1.845
47 2HB CYS 9 1HB CYS 9 4.014 -4.478 -0.106
48 H ASP 10 H ASP 10 5.631 -5.202 -2.638
49 HA ASP 10 HA ASP 10 6.900 -7.172 -2.901
50 1HB ASP 10 2HB ASP 10 8.468 -5.166 -3.316
51 2HB ASP 10 1HB ASP 10 9.124 -5.501 -1.713
52 H GLY 11 H GLY 11 5.641 -8.157 -1.057
53 1HA GLY 11 2HA GLY 11 6.650 -9.875 0.590
54 2HA GLY 11 1HA GLY 11 7.277 -8.451 1.423
55 H LYS 12 H LYS 12 5.193 -10.572 2.170
56 HA LYS 12 HA LYS 12 2.678 -9.081 2.386
57 1HB LYS 12 2HB LYS 12 1.890 -11.097 3.415
58 2HB LYS 12 1HB LYS 12 3.014 -11.604 2.157
59 1HG LYS 12 2HG LYS 12 4.582 -11.187 4.473
60 2HG LYS 12 1HG LYS 12 3.154 -12.075 5.004
61 1HD LYS 12 2HD LYS 12 3.634 -13.916 3.682
62 2HD LYS 12 1HD LYS 12 4.523 -12.961 2.494
63 1HE LYS 12 2HE LYS 12 5.614 -13.196 5.291
64 2HE LYS 12 1HE LYS 12 5.867 -14.519 4.136
65 1HZ LYS 12 1HZ LYS 12 7.638 -12.899 3.928
66 2HZ LYS 12 2HZ LYS 12 6.512 -11.650 3.685
67 3HZ LYS 12 3HZ LYS 12 6.682 -12.882 2.526
68 H SER 13 H SER 13 5.567 -8.672 3.971
69 HA SER 13 HA SER 13 4.214 -7.856 6.524
70 1HB SER 13 2HB SER 13 6.318 -9.694 6.010
71 2HB SER 13 1HB SER 13 7.059 -8.290 6.774
72 HG SER 13 HG SER 13 5.827 -8.585 8.533
73 H THR 14 H THR 14 4.899 -6.348 3.908
74 HA THR 14 HA THR 14 7.035 -4.485 4.568
75 HB THR 14 HB THR 14 6.282 -5.090 2.268
76 HG1 THR 14 1HG THR 14 5.750 -2.352 2.681
77 1HG2 THR 14 1HG2 THR 14 4.033 -3.360 2.011
78 2HG2 THR 14 2HG2 THR 14 3.717 -4.445 3.364
79 3HG2 THR 14 3HG2 THR 14 4.095 -5.106 1.774
80 H PHE 15 H PHE 15 6.576 -2.088 4.833
81 HA PHE 15 HA PHE 15 4.038 -1.613 6.364
82 1HB PHE 15 2HB PHE 15 6.890 -1.367 7.086
83 2HB PHE 15 1HB PHE 15 5.913 0.039 7.512
84 HD1 PHE 15 1HD PHE 15 7.050 -3.028 8.700
85 HD2 PHE 15 2HD PHE 15 3.467 -0.665 8.490
86 HE1 PHE 15 1HE PHE 15 6.122 -4.258 10.643
87 HE2 PHE 15 2HE PHE 15 2.541 -1.897 10.432
88 HZ PHE 15 HZ PHE 15 3.868 -3.694 11.509
89 H CYS 16 H CYS 16 3.166 0.491 6.192
90 HA CYS 16 HA CYS 16 4.323 2.199 4.009
91 1HB CYS 16 2HB CYS 16 1.910 0.898 4.131
92 2HB CYS 16 1HB CYS 16 1.476 2.477 4.786
93 H CYS 17 H CYS 17 2.389 4.362 4.730
94 HA CYS 17 HA CYS 17 3.939 5.518 6.973
95 1HB CYS 17 2HB CYS 17 3.345 6.605 4.698
96 2HB CYS 17 1HB CYS 17 1.734 6.828 5.377
97 H SER 18 H SER 18 0.460 5.732 6.183
98 HA SER 18 HA SER 18 -0.447 4.485 8.635
99 1HB SER 18 2HB SER 18 -1.258 6.685 9.640
100 2HB SER 18 1HB SER 18 0.486 6.451 9.672
101 HG SER 18 HG SER 18 -1.036 8.291 8.322
102 H GLY 19 H GLY 19 -1.928 3.494 7.139
103 1HA GLY 19 2HA GLY 19 -4.389 3.749 6.706
104 2HA GLY 19 1HA GLY 19 -4.012 5.344 6.048
105 H TYR 20 H TYR 20 -1.593 4.508 4.655
106 HA TYR 20 HA TYR 20 -2.762 3.599 2.167
107 1HB TYR 20 2HB TYR 20 0.048 4.028 3.214
108 2HB TYR 20 1HB TYR 20 -0.262 3.502 1.560
109 HD1 TYR 20 1HD TYR 20 0.267 6.318 3.568
110 HD2 TYR 20 2HD TYR 20 -2.199 4.935 0.337
111 HE1 TYR 20 1HE TYR 20 -0.175 8.664 2.900
112 HE2 TYR 20 2HE TYR 20 -2.643 7.278 -0.330
113 HH TYR 20 HH TYR 20 -2.353 9.784 1.461
114 H ASN 21 H ASN 21 -3.161 1.495 1.595
115 HA ASN 21 HA ASN 21 -1.807 -0.696 3.129
116 1HB ASN 21 2HB ASN 21 -4.470 -0.263 1.828
117 2HB ASN 21 1HB ASN 21 -3.848 -1.913 1.887
118 1HD2 ASN 21 1HD2 ASN 21 -4.735 -2.959 3.672
119 2HD2 ASN 21 2HD2 ASN 21 -4.945 -2.264 5.206
120 H CYS 22 H CYS 22 -1.348 -2.706 1.755
121 HA CYS 22 HA CYS 22 -0.007 -1.872 -0.748
122 1HB CYS 22 2HB CYS 22 -0.073 -4.335 0.997
123 2HB CYS 22 1HB CYS 22 0.719 -4.357 -0.578
124 H SER 23 H SER 23 -0.798 -2.287 -2.762
125 HA SER 23 HA SER 23 -3.466 -3.295 -3.194
126 1HB SER 23 2HB SER 23 -2.620 -3.190 -5.625
127 2HB SER 23 1HB SER 23 -2.523 -1.691 -4.706
128 HG SER 23 HG SER 23 -0.392 -3.549 -4.816
129 HA PRO 24 HA PRO 24 -2.536 -7.617 -3.314
130 1HB PRO 24 2HB PRO 24 -4.770 -8.487 -4.631
131 2HB PRO 24 1HB PRO 24 -4.783 -7.972 -2.932
132 1HG PRO 24 2HG PRO 24 -5.646 -6.496 -5.364
133 2HG PRO 24 1HG PRO 24 -6.355 -6.514 -3.743
134 1HD PRO 24 2HD PRO 24 -4.780 -4.491 -4.700
135 2HD PRO 24 1HD PRO 24 -4.959 -4.880 -2.976
136 H THR 25 H THR 25 -3.032 -5.739 -6.237
137 HA THR 25 HA THR 25 -1.751 -7.943 -7.822
138 HB THR 25 HB THR 25 -3.690 -5.799 -8.739
139 HG1 THR 25 1HG THR 25 -5.077 -7.093 -7.855
140 1HG2 THR 25 1HG2 THR 25 -2.265 -8.079 -10.078
141 2HG2 THR 25 2HG2 THR 25 -2.525 -6.433 -10.659
142 3HG2 THR 25 3HG2 THR 25 -3.858 -7.588 -10.656
143 H TRP 26 H TRP 26 -1.847 -4.432 -7.254
144 HA TRP 26 HA TRP 26 0.167 -3.855 -9.297
145 1HB TRP 26 2HB TRP 26 -0.914 -2.210 -6.991
146 2HB TRP 26 1HB TRP 26 0.007 -1.585 -8.349
147 HD1 TRP 26 HD TRP 26 -1.821 -3.941 -10.138
148 HE1 TRP 26 1HE TRP 26 -4.070 -3.064 -11.022
149 HE3 TRP 26 3HE TRP 26 -2.387 0.189 -7.191
150 HZ2 TRP 26 2HZ TRP 26 -5.872 -0.896 -10.558
151 HZ3 TRP 26 3HZ TRP 26 -4.378 1.644 -7.435
152 HH2 TRP 26 HH TRP 26 -6.121 1.106 -9.113
153 H LYS 27 H LYS 27 0.340 -5.039 -6.074
154 HA LYS 27 HA LYS 27 2.185 -5.565 -4.720
155 1HB LYS 27 2HB LYS 27 3.004 -5.986 -7.179
156 2HB LYS 27 1HB LYS 27 3.986 -4.549 -6.901
157 1HG LYS 27 2HG LYS 27 5.365 -6.374 -6.248
158 2HG LYS 27 1HG LYS 27 4.765 -5.690 -4.737
159 1HD LYS 27 2HD LYS 27 4.301 -7.920 -4.349
160 2HD LYS 27 1HD LYS 27 2.799 -7.447 -5.142
161 1HE LYS 27 2HE LYS 27 3.628 -8.273 -7.296
162 2HE LYS 27 1HE LYS 27 5.192 -8.677 -6.561
163 1HZ LYS 27 1HZ LYS 27 3.832 -10.632 -6.541
164 2HZ LYS 27 2HZ LYS 27 2.535 -9.794 -5.833
165 3HZ LYS 27 3HZ LYS 27 3.958 -10.071 -4.946
166 H TRP 28 H TRP 28 1.262 -2.468 -5.257
167 HA TRP 28 HA TRP 28 3.497 -1.432 -3.556
168 1HB TRP 28 2HB TRP 28 3.402 0.679 -4.790
169 2HB TRP 28 1HB TRP 28 3.705 -0.656 -5.891
170 HD1 TRP 28 HD TRP 28 0.417 0.924 -4.527
171 HE1 TRP 28 1HE TRP 28 -1.115 1.396 -6.541
172 HE3 TRP 28 3HE TRP 28 3.424 -0.692 -8.317
173 HZ2 TRP 28 2HZ TRP 28 -1.079 1.119 -9.384
174 HZ3 TRP 28 3HZ TRP 28 2.651 -0.581 -10.668
175 HH2 TRP 28 HH TRP 28 0.405 0.322 -11.207
176 H CYS 29 H CYS 29 2.859 0.511 -2.257
177 HA CYS 29 HA CYS 29 0.419 0.020 -0.799
178 1HB CYS 29 2HB CYS 29 2.833 1.286 -0.399
179 2HB CYS 29 1HB CYS 29 1.721 2.647 -0.508
180 H VAL 30 H VAL 30 -1.487 1.256 -0.739
181 HA VAL 30 HA VAL 30 -1.840 3.493 -2.682
182 HB VAL 30 HB VAL 30 -3.976 2.336 -3.423
183 1HG1 VAL 30 1HG1 VAL 30 -1.676 2.219 -4.599
184 2HG1 VAL 30 2HG1 VAL 30 -2.891 1.027 -5.059
185 3HG1 VAL 30 3HG1 VAL 30 -1.587 0.578 -3.961
186 1HG2 VAL 30 1HG2 VAL 30 -4.485 0.157 -2.776
187 2HG2 VAL 30 2HG2 VAL 30 -3.781 0.783 -1.284
188 3HG2 VAL 30 3HG2 VAL 30 -2.812 -0.221 -2.362
189 H TYR 31 H TYR 31 -4.067 4.561 -2.243
190 HA TYR 31 HA TYR 31 -4.345 5.120 0.571
191 1HB TYR 31 2HB TYR 31 -4.928 6.729 -1.175
192 2HB TYR 31 1HB TYR 31 -6.156 5.634 -1.814
193 HD1 TYR 31 1HD TYR 31 -5.173 7.360 1.371
194 HD2 TYR 31 2HD TYR 31 -8.367 5.813 -1.051
195 HE1 TYR 31 1HE TYR 31 -6.829 8.259 2.980
196 HE2 TYR 31 2HE TYR 31 -10.022 6.716 0.559
197 HH TYR 31 HH TYR 31 -9.797 7.310 3.286
198 H ALA 32 H ALA 32 -5.595 4.106 2.103
199 HA ALA 32 HA ALA 32 -7.451 1.933 1.179
200 1HB ALA 32 1HB ALA 32 -5.246 1.626 2.631
201 2HB ALA 32 2HB ALA 32 -6.693 0.689 2.999
202 3HB ALA 32 3HB ALA 32 -6.308 2.124 3.947
203 H ARG 33 H ARG 33 -9.286 1.548 2.793
204 HA ARG 33 HA ARG 33 -11.187 2.329 3.947
205 1HB ARG 33 2HB ARG 33 -9.048 3.049 5.362
206 2HB ARG 33 1HB ARG 33 -9.583 4.669 4.914
207 1HG ARG 33 2HG ARG 33 -11.936 3.400 5.679
208 2HG ARG 33 1HG ARG 33 -10.747 2.796 6.833
209 1HD ARG 33 2HD ARG 33 -10.164 5.530 6.628
210 2HD ARG 33 1HD ARG 33 -11.937 5.452 6.658
211 HE ARG 33 HE ARG 33 -10.827 3.641 8.609
212 1HH1 ARG 33 1HH2 ARG 33 -9.239 5.979 9.366
213 2HH1 ARG 33 2HH2 ARG 33 -10.304 6.875 10.396
214 1HH2 ARG 33 1HH1 ARG 33 -13.164 5.220 9.323
215 2HH2 ARG 33 2HH1 ARG 33 -12.531 6.444 10.372
216 HA PRO 34 HA PRO 34 -11.893 5.456 0.615
217 1HB PRO 34 2HB PRO 34 -14.248 4.347 -0.244
218 2HB PRO 34 1HB PRO 34 -12.658 3.834 -0.844
219 1HG PRO 34 2HG PRO 34 -14.399 2.568 1.217
220 2HG PRO 34 1HG PRO 34 -13.429 1.813 -0.057
221 1HD PRO 34 2HD PRO 34 -12.629 1.910 2.532
222 2HD PRO 34 1HD PRO 34 -11.487 1.922 1.169
Start of MODEL 5
1 1H GLY 1 1HT GLY 1 9.872 6.047 7.588
2 2H GLY 1 2HT GLY 1 11.194 5.056 7.991
3 3H GLY 1 3HT GLY 1 9.609 4.548 8.336
4 1HA GLY 1 2HA GLY 1 10.801 4.905 5.640
5 2HA GLY 1 1HA GLY 1 10.398 3.371 6.411
6 H CYS 2 H CYS 2 8.950 6.409 5.247
7 HA CYS 2 HA CYS 2 6.247 5.181 5.246
8 1HB CYS 2 2HB CYS 2 6.303 7.404 6.055
9 2HB CYS 2 1HB CYS 2 7.435 7.922 4.806
10 H GLY 3 H GLY 3 5.340 4.338 3.389
11 1HA GLY 3 2HA GLY 3 6.893 4.453 0.882
12 2HA GLY 3 1HA GLY 3 5.465 3.456 1.173
13 H GLY 4 H GLY 4 3.352 4.679 1.347
14 1HA GLY 4 2HA GLY 4 2.308 6.964 0.905
15 2HA GLY 4 1HA GLY 4 3.375 7.041 -0.496
16 H LEU 5 H LEU 5 1.443 7.246 -1.846
17 HA LEU 5 HA LEU 5 -0.420 4.953 -1.970
18 1HB LEU 5 2HB LEU 5 -0.466 7.716 -2.535
19 2HB LEU 5 1HB LEU 5 -0.643 6.915 -4.098
20 HG LEU 5 HG LEU 5 -2.257 5.998 -1.725
21 1HD1 LEU 5 1HD1 LEU 5 -2.596 8.475 -3.356
22 2HD1 LEU 5 2HD1 LEU 5 -3.029 8.169 -1.675
23 3HD1 LEU 5 3HD1 LEU 5 -4.044 7.545 -2.975
24 1HD2 LEU 5 1HD2 LEU 5 -3.843 5.428 -3.620
25 2HD2 LEU 5 2HD2 LEU 5 -2.315 4.548 -3.646
26 3HD2 LEU 5 3HD2 LEU 5 -2.566 5.909 -4.738
27 H MET 6 H MET 6 2.638 5.605 -3.272
28 HA MET 6 HA MET 6 2.214 3.570 -5.407
29 1HB MET 6 2HB MET 6 2.347 6.357 -5.833
30 2HB MET 6 1HB MET 6 3.924 5.734 -6.319
31 1HG MET 6 2HG MET 6 2.886 4.121 -7.811
32 2HG MET 6 1HG MET 6 1.279 4.577 -7.245
33 1HE MET 6 1HE MET 6 0.245 5.367 -9.714
34 2HE MET 6 2HE MET 6 1.630 4.302 -9.943
35 3HE MET 6 3HE MET 6 1.487 5.767 -10.910
36 H ALA 7 H ALA 7 3.527 3.311 -2.870
37 HA ALA 7 HA ALA 7 6.434 3.568 -3.257
38 1HB ALA 7 1HB ALA 7 5.074 1.951 -1.121
39 2HB ALA 7 2HB ALA 7 4.903 3.705 -1.113
40 3HB ALA 7 3HB ALA 7 6.504 2.974 -0.994
41 H GLY 8 H GLY 8 7.209 1.123 -2.042
42 1HA GLY 8 2HA GLY 8 6.512 -0.857 -4.179
43 2HA GLY 8 1HA GLY 8 8.143 -0.704 -3.520
44 H CYS 9 H CYS 9 5.015 -2.105 -3.049
45 HA CYS 9 HA CYS 9 5.329 -2.796 -0.244
46 1HB CYS 9 2HB CYS 9 3.140 -2.605 -1.284
47 2HB CYS 9 1HB CYS 9 3.559 -3.831 -2.482
48 H ASP 10 H ASP 10 4.960 -5.162 -2.890
49 HA ASP 10 HA ASP 10 6.001 -7.255 -3.221
50 1HB ASP 10 2HB ASP 10 7.786 -5.344 -3.547
51 2HB ASP 10 1HB ASP 10 8.473 -5.985 -2.055
52 H GLY 11 H GLY 11 4.544 -7.589 -1.050
53 1HA GLY 11 2HA GLY 11 5.668 -9.567 0.519
54 2HA GLY 11 1HA GLY 11 6.062 -8.079 1.384
55 H LYS 12 H LYS 12 4.115 -10.368 1.944
56 HA LYS 12 HA LYS 12 1.437 -9.259 1.779
57 1HB LYS 12 2HB LYS 12 0.873 -11.215 3.096
58 2HB LYS 12 1HB LYS 12 2.105 -11.681 1.926
59 1HG LYS 12 2HG LYS 12 3.516 -10.769 4.196
60 2HG LYS 12 1HG LYS 12 2.217 -11.788 4.816
61 1HD LYS 12 2HD LYS 12 3.081 -13.686 3.888
62 2HD LYS 12 1HD LYS 12 3.633 -12.847 2.438
63 1HE LYS 12 2HE LYS 12 5.124 -11.901 4.735
64 2HE LYS 12 1HE LYS 12 5.232 -13.669 4.618
65 1HZ LYS 12 1HZ LYS 12 5.818 -13.481 2.305
66 2HZ LYS 12 2HZ LYS 12 6.890 -12.529 3.217
67 3HZ LYS 12 3HZ LYS 12 5.631 -11.795 2.342
68 H SER 13 H SER 13 4.092 -8.526 3.816
69 HA SER 13 HA SER 13 2.294 -7.029 5.663
70 1HB SER 13 2HB SER 13 3.103 -9.382 6.456
71 2HB SER 13 1HB SER 13 4.670 -8.605 6.657
72 HG SER 13 HG SER 13 3.917 -7.541 8.323
73 H THR 14 H THR 14 3.669 -5.850 3.568
74 HA THR 14 HA THR 14 6.345 -4.966 4.208
75 HB THR 14 HB THR 14 5.009 -5.017 1.977
76 HG1 THR 14 1HG THR 14 6.769 -4.024 1.485
77 1HG2 THR 14 1HG2 THR 14 4.181 -2.277 2.982
78 2HG2 THR 14 2HG2 THR 14 3.099 -3.667 2.898
79 3HG2 THR 14 3HG2 THR 14 3.787 -2.993 1.420
80 H PHE 15 H PHE 15 6.702 -2.433 4.385
81 HA PHE 15 HA PHE 15 4.922 -1.423 6.583
82 1HB PHE 15 2HB PHE 15 7.574 -2.026 6.665
83 2HB PHE 15 1HB PHE 15 7.660 -0.330 6.189
84 HD1 PHE 15 1HD PHE 15 5.943 1.249 7.541
85 HD2 PHE 15 2HD PHE 15 7.516 -2.496 8.943
86 HE1 PHE 15 1HE PHE 15 5.473 1.927 9.878
87 HE2 PHE 15 2HE PHE 15 7.046 -1.816 11.281
88 HZ PHE 15 HZ PHE 15 6.024 0.395 11.749
89 H CYS 16 H CYS 16 3.502 -0.043 5.517
90 HA CYS 16 HA CYS 16 4.442 1.732 3.345
91 1HB CYS 16 2HB CYS 16 1.769 1.409 4.764
92 2HB CYS 16 1HB CYS 16 2.029 2.325 3.281
93 H CYS 17 H CYS 17 2.578 3.919 4.208
94 HA CYS 17 HA CYS 17 4.484 5.415 5.842
95 1HB CYS 17 2HB CYS 17 2.788 6.067 3.877
96 2HB CYS 17 1HB CYS 17 1.724 6.389 5.245
97 H SER 18 H SER 18 1.026 4.596 6.277
98 HA SER 18 HA SER 18 1.452 4.050 9.140
99 1HB SER 18 2HB SER 18 -0.321 5.872 9.662
100 2HB SER 18 1HB SER 18 1.314 6.413 9.297
101 HG SER 18 HG SER 18 -0.217 7.588 8.100
102 H GLY 19 H GLY 19 -1.521 5.214 7.587
103 1HA GLY 19 2HA GLY 19 -2.856 2.677 8.270
104 2HA GLY 19 1HA GLY 19 -3.644 4.129 7.652
105 H TYR 20 H TYR 20 -1.608 4.334 5.440
106 HA TYR 20 HA TYR 20 -2.965 3.196 3.282
107 1HB TYR 20 2HB TYR 20 -0.156 4.042 3.874
108 2HB TYR 20 1HB TYR 20 -0.446 3.183 2.363
109 HD1 TYR 20 1HD TYR 20 -0.478 4.728 0.621
110 HD2 TYR 20 2HD TYR 20 -2.526 5.664 4.278
111 HE1 TYR 20 1HE TYR 20 -1.351 6.809 -0.399
112 HE2 TYR 20 2HE TYR 20 -3.404 7.742 3.254
113 HH TYR 20 HH TYR 20 -2.263 9.256 0.904
114 H ASN 21 H ASN 21 -3.339 1.082 2.719
115 HA ASN 21 HA ASN 21 -1.781 -1.097 3.986
116 1HB ASN 21 2HB ASN 21 -4.417 -0.720 3.346
117 2HB ASN 21 1HB ASN 21 -3.873 -1.664 1.961
118 1HD2 ASN 21 1HD2 ASN 21 -3.733 -3.910 2.274
119 2HD2 ASN 21 2HD2 ASN 21 -3.763 -4.673 3.790
120 H CYS 22 H CYS 22 -1.695 -3.039 2.073
121 HA CYS 22 HA CYS 22 0.016 -1.843 -0.077
122 1HB CYS 22 2HB CYS 22 1.428 -3.149 1.239
123 2HB CYS 22 1HB CYS 22 0.155 -4.299 1.640
124 H SER 23 H SER 23 -0.231 -2.672 -2.207
125 HA SER 23 HA SER 23 -2.754 -4.224 -2.675
126 1HB SER 23 2HB SER 23 -1.423 -1.884 -3.889
127 2HB SER 23 1HB SER 23 -2.060 -3.039 -5.051
128 HG SER 23 HG SER 23 -4.070 -2.874 -4.029
129 HA PRO 24 HA PRO 24 0.000 -7.368 -4.198
130 1HB PRO 24 2HB PRO 24 -1.909 -9.082 -5.140
131 2HB PRO 24 1HB PRO 24 -1.532 -8.904 -3.416
132 1HG PRO 24 2HG PRO 24 -3.808 -7.822 -4.976
133 2HG PRO 24 1HG PRO 24 -3.747 -8.370 -3.296
134 1HD PRO 24 2HD PRO 24 -3.731 -5.727 -4.100
135 2HD PRO 24 1HD PRO 24 -3.160 -6.318 -2.524
136 H THR 25 H THR 25 -2.763 -6.445 -6.273
137 HA THR 25 HA THR 25 -1.448 -7.199 -8.759
138 HB THR 25 HB THR 25 -3.876 -5.513 -8.058
139 HG1 THR 25 1HG THR 25 -3.662 -8.152 -9.073
140 1HG2 THR 25 1HG2 THR 25 -3.429 -4.810 -10.238
141 2HG2 THR 25 2HG2 THR 25 -4.466 -6.208 -10.518
142 3HG2 THR 25 3HG2 THR 25 -2.717 -6.357 -10.698
143 H TRP 26 H TRP 26 -1.441 -4.334 -6.757
144 HA TRP 26 HA TRP 26 -0.334 -2.663 -8.966
145 1HB TRP 26 2HB TRP 26 -1.124 -1.917 -6.132
146 2HB TRP 26 1HB TRP 26 -0.878 -0.820 -7.487
147 HD1 TRP 26 HD TRP 26 -3.342 -3.406 -6.126
148 HE1 TRP 26 1HE TRP 26 -5.579 -3.169 -7.372
149 HE3 TRP 26 3HE TRP 26 -2.007 -0.026 -9.715
150 HZ2 TRP 26 2HZ TRP 26 -6.671 -1.733 -9.585
151 HZ3 TRP 26 3HZ TRP 26 -3.668 0.760 -11.376
152 HH2 TRP 26 HH TRP 26 -5.996 -0.089 -11.317
153 H LYS 27 H LYS 27 0.670 -4.467 -6.193
154 HA LYS 27 HA LYS 27 2.754 -4.786 -5.178
155 1HB LYS 27 2HB LYS 27 3.243 -3.862 -7.948
156 2HB LYS 27 1HB LYS 27 4.628 -3.759 -6.863
157 1HG LYS 27 2HG LYS 27 2.946 -6.261 -7.034
158 2HG LYS 27 1HG LYS 27 4.294 -5.980 -8.135
159 1HD LYS 27 2HD LYS 27 5.886 -6.059 -6.419
160 2HD LYS 27 1HD LYS 27 4.701 -5.678 -5.170
161 1HE LYS 27 2HE LYS 27 4.366 -8.227 -6.728
162 2HE LYS 27 1HE LYS 27 5.571 -8.166 -5.428
163 1HZ LYS 27 1HZ LYS 27 2.698 -7.430 -5.203
164 2HZ LYS 27 2HZ LYS 27 3.847 -7.229 -3.966
165 3HZ LYS 27 3HZ LYS 27 3.443 -8.787 -4.510
166 H TRP 28 H TRP 28 1.301 -2.039 -4.819
167 HA TRP 28 HA TRP 28 3.621 -0.788 -3.453
168 1HB TRP 28 2HB TRP 28 3.180 1.395 -4.436
169 2HB TRP 28 1HB TRP 28 3.461 0.224 -5.713
170 HD1 TRP 28 HD TRP 28 0.236 1.292 -3.809
171 HE1 TRP 28 1HE TRP 28 -1.565 1.823 -5.569
172 HE3 TRP 28 3HE TRP 28 2.904 0.454 -8.080
173 HZ2 TRP 28 2HZ TRP 28 -1.840 1.893 -8.413
174 HZ3 TRP 28 3HZ TRP 28 1.849 0.763 -10.301
175 HH2 TRP 28 HH TRP 28 -0.517 1.481 -10.472
176 H CYS 29 H CYS 29 2.929 0.848 -1.831
177 HA CYS 29 HA CYS 29 0.658 -0.076 -0.309
178 1HB CYS 29 2HB CYS 29 2.481 2.338 -0.146
179 2HB CYS 29 1HB CYS 29 1.257 1.983 1.071
180 H VAL 30 H VAL 30 -1.409 0.746 -0.196
181 HA VAL 30 HA VAL 30 -2.079 3.100 -1.935
182 HB VAL 30 HB VAL 30 -4.206 1.886 -2.388
183 1HG1 VAL 30 1HG1 VAL 30 -1.875 1.479 -3.603
184 2HG1 VAL 30 2HG1 VAL 30 -3.294 0.520 -4.018
185 3HG1 VAL 30 3HG1 VAL 30 -2.072 -0.140 -2.932
186 1HG2 VAL 30 1HG2 VAL 30 -4.856 0.094 -1.170
187 2HG2 VAL 30 2HG2 VAL 30 -3.506 0.440 -0.091
188 3HG2 VAL 30 3HG2 VAL 30 -3.306 -0.711 -1.411
189 H TYR 31 H TYR 31 -4.266 4.079 -1.207
190 HA TYR 31 HA TYR 31 -4.129 4.929 1.521
191 1HB TYR 31 2HB TYR 31 -6.388 5.884 0.994
192 2HB TYR 31 1HB TYR 31 -5.199 6.218 -0.263
193 HD1 TYR 31 1HD TYR 31 -7.710 3.566 0.649
194 HD2 TYR 31 2HD TYR 31 -5.819 5.820 -2.478
195 HE1 TYR 31 1HE TYR 31 -9.168 2.467 -1.019
196 HE2 TYR 31 2HE TYR 31 -7.279 4.716 -4.151
197 HH TYR 31 HH TYR 31 -9.828 3.519 -3.862
198 H ALA 32 H ALA 32 -6.138 4.625 3.052
199 HA ALA 32 HA ALA 32 -7.112 1.794 2.941
200 1HB ALA 32 1HB ALA 32 -6.467 2.917 5.602
201 2HB ALA 32 2HB ALA 32 -5.078 2.686 4.542
202 3HB ALA 32 3HB ALA 32 -6.116 1.319 4.945
203 H ARG 33 H ARG 33 -8.686 3.918 2.113
204 HA ARG 33 HA ARG 33 -10.723 5.048 2.494
205 1HB ARG 33 2HB ARG 33 -11.067 2.480 2.783
206 2HB ARG 33 1HB ARG 33 -11.228 2.850 4.499
207 1HG ARG 33 2HG ARG 33 -12.954 4.616 3.797
208 2HG ARG 33 1HG ARG 33 -12.942 3.839 2.213
209 1HD ARG 33 2HD ARG 33 -13.250 1.647 3.785
210 2HD ARG 33 1HD ARG 33 -14.077 2.860 4.781
211 HE ARG 33 HE ARG 33 -14.722 2.734 1.874
212 1HH1 ARG 33 1HH2 ARG 33 -15.892 0.520 3.665
213 2HH1 ARG 33 2HH2 ARG 33 -17.448 1.191 4.028
214 1HH2 ARG 33 1HH1 ARG 33 -16.601 4.397 2.992
215 2HH2 ARG 33 2HH1 ARG 33 -17.848 3.390 3.646
216 HA PRO 34 HA PRO 34 -9.268 6.965 6.443
217 1HB PRO 34 2HB PRO 34 -9.226 9.529 5.486
218 2HB PRO 34 1HB PRO 34 -7.857 8.413 5.326
219 1HG PRO 34 2HG PRO 34 -9.902 9.198 3.318
220 2HG PRO 34 1HG PRO 34 -8.172 8.881 3.106
221 1HD PRO 34 2HD PRO 34 -10.141 7.098 2.447
222 2HD PRO 34 1HD PRO 34 -8.481 6.631 2.877
Start of MODEL 6
1 1H GLY 1 1HT GLY 1 11.715 5.604 7.506
2 2H GLY 1 2HT GLY 1 10.598 4.344 7.278
3 3H GLY 1 3HT GLY 1 10.095 5.817 7.961
4 1HA GLY 1 2HA GLY 1 10.862 6.876 5.783
5 2HA GLY 1 1HA GLY 1 10.820 5.227 5.159
6 H CYS 2 H CYS 2 9.071 6.113 3.738
7 HA CYS 2 HA CYS 2 6.424 5.653 4.978
8 1HB CYS 2 2HB CYS 2 6.801 7.999 5.425
9 2HB CYS 2 1HB CYS 2 7.339 8.280 3.771
10 H GLY 3 H GLY 3 4.998 4.793 3.471
11 1HA GLY 3 2HA GLY 3 6.030 4.293 0.754
12 2HA GLY 3 1HA GLY 3 4.576 3.587 1.457
13 H GLY 4 H GLY 4 2.753 4.289 0.460
14 1HA GLY 4 2HA GLY 4 1.752 6.844 0.301
15 2HA GLY 4 1HA GLY 4 2.759 6.738 -1.142
16 H LEU 5 H LEU 5 0.809 6.916 -2.446
17 HA LEU 5 HA LEU 5 -1.172 4.725 -2.281
18 1HB LEU 5 2HB LEU 5 -1.008 7.438 -3.237
19 2HB LEU 5 1HB LEU 5 -1.577 6.394 -4.542
20 HG LEU 5 HG LEU 5 -2.739 6.060 -1.796
21 1HD1 LEU 5 1HD1 LEU 5 -4.204 7.856 -1.991
22 2HD1 LEU 5 2HD1 LEU 5 -4.001 7.965 -3.740
23 3HD1 LEU 5 3HD1 LEU 5 -2.729 8.549 -2.666
24 1HD2 LEU 5 1HD2 LEU 5 -4.665 5.297 -3.073
25 2HD2 LEU 5 2HD2 LEU 5 -3.224 4.488 -3.690
26 3HD2 LEU 5 3HD2 LEU 5 -3.926 5.840 -4.580
27 H MET 6 H MET 6 1.814 5.216 -3.833
28 HA MET 6 HA MET 6 1.293 2.924 -5.651
29 1HB MET 6 2HB MET 6 0.992 5.389 -6.634
30 2HB MET 6 1HB MET 6 2.750 5.308 -6.734
31 1HG MET 6 2HG MET 6 1.614 2.835 -7.690
32 2HG MET 6 1HG MET 6 0.878 4.194 -8.539
33 1HE MET 6 1HE MET 6 2.950 3.414 -11.241
34 2HE MET 6 2HE MET 6 1.730 2.681 -10.202
35 3HE MET 6 3HE MET 6 3.368 2.034 -10.217
36 H ALA 7 H ALA 7 2.869 3.373 -3.151
37 HA ALA 7 HA ALA 7 5.695 3.392 -4.018
38 1HB ALA 7 1HB ALA 7 4.364 2.980 -1.320
39 2HB ALA 7 2HB ALA 7 4.897 4.532 -1.966
40 3HB ALA 7 3HB ALA 7 6.081 3.283 -1.582
41 H GLY 8 H GLY 8 6.644 1.529 -4.698
42 1HA GLY 8 2HA GLY 8 5.470 -1.052 -4.602
43 2HA GLY 8 1HA GLY 8 7.182 -0.746 -4.893
44 H CYS 9 H CYS 9 4.981 -2.095 -2.721
45 HA CYS 9 HA CYS 9 6.579 -1.682 -0.286
46 1HB CYS 9 2HB CYS 9 4.764 -2.774 0.768
47 2HB CYS 9 1HB CYS 9 4.015 -1.909 -0.567
48 H ASP 10 H ASP 10 6.032 -4.270 -2.651
49 HA ASP 10 HA ASP 10 7.133 -6.317 -3.011
50 1HB ASP 10 2HB ASP 10 8.934 -4.474 -3.109
51 2HB ASP 10 1HB ASP 10 9.403 -5.014 -1.497
52 H GLY 11 H GLY 11 5.509 -7.075 -1.219
53 1HA GLY 11 2HA GLY 11 6.077 -9.118 0.265
54 2HA GLY 11 1HA GLY 11 6.975 -7.944 1.229
55 H LYS 12 H LYS 12 4.324 -9.618 1.526
56 HA LYS 12 HA LYS 12 2.231 -7.651 1.939
57 1HB LYS 12 2HB LYS 12 1.035 -9.546 2.866
58 2HB LYS 12 1HB LYS 12 1.969 -10.119 1.486
59 1HG LYS 12 2HG LYS 12 3.793 -10.476 3.468
60 2HG LYS 12 1HG LYS 12 2.299 -10.717 4.374
61 1HD LYS 12 2HD LYS 12 2.852 -12.874 3.554
62 2HD LYS 12 1HD LYS 12 1.594 -12.292 2.463
63 1HE LYS 12 2HE LYS 12 3.273 -13.146 1.003
64 2HE LYS 12 1HE LYS 12 3.576 -11.398 1.013
65 1HZ LYS 12 1HZ LYS 12 4.852 -13.281 2.923
66 2HZ LYS 12 2HZ LYS 12 5.248 -11.649 2.655
67 3HZ LYS 12 3HZ LYS 12 5.579 -12.814 1.463
68 H SER 13 H SER 13 5.063 -8.288 3.703
69 HA SER 13 HA SER 13 3.840 -7.432 6.299
70 1HB SER 13 2HB SER 13 6.505 -8.697 5.572
71 2HB SER 13 1HB SER 13 6.007 -8.289 7.213
72 HG SER 13 HG SER 13 5.205 -10.348 5.549
73 H THR 14 H THR 14 4.459 -5.638 3.958
74 HA THR 14 HA THR 14 6.836 -4.088 4.649
75 HB THR 14 HB THR 14 5.845 -4.377 2.362
76 HG1 THR 14 1HG THR 14 5.729 -1.655 3.097
77 1HG2 THR 14 1HG2 THR 14 3.460 -3.741 3.669
78 2HG2 THR 14 2HG2 THR 14 3.685 -3.903 1.927
79 3HG2 THR 14 3HG2 THR 14 3.809 -2.318 2.689
80 H PHE 15 H PHE 15 6.691 -1.761 5.277
81 HA PHE 15 HA PHE 15 4.294 -1.163 6.986
82 1HB PHE 15 2HB PHE 15 6.874 -1.754 7.794
83 2HB PHE 15 1HB PHE 15 6.877 0.008 7.777
84 HD1 PHE 15 1HD PHE 15 6.147 1.111 9.691
85 HD2 PHE 15 2HD PHE 15 4.645 -2.825 8.842
86 HE1 PHE 15 1HE PHE 15 4.880 1.133 11.823
87 HE2 PHE 15 2HE PHE 15 3.378 -2.800 10.972
88 HZ PHE 15 HZ PHE 15 3.496 -0.823 12.463
89 H CYS 16 H CYS 16 3.298 0.304 5.557
90 HA CYS 16 HA CYS 16 4.832 2.366 4.148
91 1HB CYS 16 2HB CYS 16 1.894 1.718 4.522
92 2HB CYS 16 1HB CYS 16 2.456 3.053 3.513
93 H CYS 17 H CYS 17 2.987 4.564 4.497
94 HA CYS 17 HA CYS 17 4.124 5.827 6.835
95 1HB CYS 17 2HB CYS 17 2.657 6.499 4.481
96 2HB CYS 17 1HB CYS 17 1.779 7.170 5.854
97 H SER 18 H SER 18 0.640 5.733 6.198
98 HA SER 18 HA SER 18 -0.010 4.243 8.624
99 1HB SER 18 2HB SER 18 -1.111 6.294 9.673
100 2HB SER 18 1HB SER 18 0.647 6.299 9.683
101 HG SER 18 HG SER 18 0.595 8.007 8.467
102 H GLY 19 H GLY 19 -1.729 3.121 7.826
103 1HA GLY 19 2HA GLY 19 -3.984 2.864 7.111
104 2HA GLY 19 1HA GLY 19 -4.034 4.584 6.727
105 H TYR 20 H TYR 20 -1.458 2.458 5.576
106 HA TYR 20 HA TYR 20 -2.622 2.602 2.812
107 1HB TYR 20 2HB TYR 20 0.103 3.299 3.902
108 2HB TYR 20 1HB TYR 20 -0.073 2.807 2.219
109 HD1 TYR 20 1HD TYR 20 -0.955 5.371 4.728
110 HD2 TYR 20 2HD TYR 20 -1.258 4.188 0.612
111 HE1 TYR 20 1HE TYR 20 -1.742 7.647 4.132
112 HE2 TYR 20 2HE TYR 20 -2.043 6.461 0.015
113 HH TYR 20 HH TYR 20 -3.327 8.419 1.535
114 H ASN 21 H ASN 21 -2.968 0.511 2.144
115 HA ASN 21 HA ASN 21 -1.193 -1.654 3.211
116 1HB ASN 21 2HB ASN 21 -3.769 -1.553 3.524
117 2HB ASN 21 1HB ASN 21 -3.850 -1.994 1.817
118 1HD2 ASN 21 1HD2 ASN 21 -3.433 -4.185 1.260
119 2HD2 ASN 21 2HD2 ASN 21 -2.998 -5.373 2.392
120 H CYS 22 H CYS 22 -0.482 -3.318 1.680
121 HA CYS 22 HA CYS 22 0.086 -2.202 -1.001
122 1HB CYS 22 2HB CYS 22 1.678 -3.427 0.662
123 2HB CYS 22 1HB CYS 22 0.916 -4.900 0.060
124 H SER 23 H SER 23 -0.907 -2.893 -2.863
125 HA SER 23 HA SER 23 -3.214 -4.691 -2.679
126 1HB SER 23 2HB SER 23 -2.951 -2.566 -4.078
127 2HB SER 23 1HB SER 23 -1.902 -3.505 -5.136
128 HG SER 23 HG SER 23 -4.650 -3.644 -4.729
129 HA PRO 24 HA PRO 24 -0.974 -8.344 -3.787
130 1HB PRO 24 2HB PRO 24 -3.097 -9.894 -4.552
131 2HB PRO 24 1HB PRO 24 -2.721 -9.535 -2.855
132 1HG PRO 24 2HG PRO 24 -4.775 -8.329 -4.633
133 2HG PRO 24 1HG PRO 24 -4.858 -8.714 -2.908
134 1HD PRO 24 2HD PRO 24 -4.452 -6.194 -3.894
135 2HD PRO 24 1HD PRO 24 -3.910 -6.734 -2.289
136 H THR 25 H THR 25 -2.988 -6.567 -6.030
137 HA THR 25 HA THR 25 -1.892 -8.111 -8.344
138 HB THR 25 HB THR 25 -4.080 -6.017 -8.313
139 HG1 THR 25 1HG THR 25 -5.387 -7.467 -7.555
140 1HG2 THR 25 1HG2 THR 25 -4.750 -7.020 -10.394
141 2HG2 THR 25 2HG2 THR 25 -3.614 -8.353 -10.181
142 3HG2 THR 25 3HG2 THR 25 -3.014 -6.724 -10.496
143 H TRP 26 H TRP 26 -1.842 -4.935 -6.812
144 HA TRP 26 HA TRP 26 -0.469 -3.723 -9.152
145 1HB TRP 26 2HB TRP 26 -1.258 -2.541 -6.473
146 2HB TRP 26 1HB TRP 26 -0.784 -1.651 -7.912
147 HD1 TRP 26 HD TRP 26 -2.563 -3.690 -9.855
148 HE1 TRP 26 1HE TRP 26 -5.100 -3.250 -9.966
149 HE3 TRP 26 3HE TRP 26 -3.172 -0.948 -5.593
150 HZ2 TRP 26 2HZ TRP 26 -7.120 -1.909 -8.449
151 HZ3 TRP 26 3HZ TRP 26 -5.410 -0.102 -4.949
152 HH2 TRP 26 HH TRP 26 -7.383 -0.578 -6.372
153 H LYS 27 H LYS 27 0.316 -5.141 -6.073
154 HA LYS 27 HA LYS 27 2.386 -5.551 -5.043
155 1HB LYS 27 2HB LYS 27 2.833 -5.262 -7.840
156 2HB LYS 27 1HB LYS 27 4.160 -4.447 -7.015
157 1HG LYS 27 2HG LYS 27 3.229 -7.257 -6.352
158 2HG LYS 27 1HG LYS 27 4.573 -6.897 -7.434
159 1HD LYS 27 2HD LYS 27 4.810 -5.444 -4.920
160 2HD LYS 27 1HD LYS 27 4.720 -7.183 -4.656
161 1HE LYS 27 2HE LYS 27 6.465 -6.556 -6.910
162 2HE LYS 27 1HE LYS 27 7.009 -5.761 -5.421
163 1HZ LYS 27 1HZ LYS 27 7.873 -7.994 -5.477
164 2HZ LYS 27 2HZ LYS 27 6.324 -8.638 -5.741
165 3HZ LYS 27 3HZ LYS 27 6.697 -7.896 -4.258
166 H TRP 28 H TRP 28 1.110 -2.572 -5.270
167 HA TRP 28 HA TRP 28 3.457 -1.346 -3.874
168 1HB TRP 28 2HB TRP 28 2.977 0.776 -4.977
169 2HB TRP 28 1HB TRP 28 3.202 -0.474 -6.192
170 HD1 TRP 28 HD TRP 28 0.060 0.678 -4.199
171 HE1 TRP 28 1HE TRP 28 -1.838 1.081 -5.890
172 HE3 TRP 28 3HE TRP 28 2.522 -0.350 -8.550
173 HZ2 TRP 28 2HZ TRP 28 -2.260 0.987 -8.713
174 HZ3 TRP 28 3HZ TRP 28 1.348 -0.182 -10.726
175 HH2 TRP 28 HH TRP 28 -1.038 0.485 -10.813
176 H CYS 29 H CYS 29 2.776 0.478 -2.404
177 HA CYS 29 HA CYS 29 0.571 -0.380 -0.715
178 1HB CYS 29 2HB CYS 29 2.912 0.882 -0.328
179 2HB CYS 29 1HB CYS 29 1.863 2.295 -0.433
180 H VAL 30 H VAL 30 -1.447 0.579 -0.469
181 HA VAL 30 HA VAL 30 -2.143 2.869 -2.285
182 HB VAL 30 HB VAL 30 -4.287 1.707 -2.697
183 1HG1 VAL 30 1HG1 VAL 30 -2.541 -0.558 -3.289
184 2HG1 VAL 30 2HG1 VAL 30 -1.801 0.987 -3.707
185 3HG1 VAL 30 3HG1 VAL 30 -3.363 0.545 -4.391
186 1HG2 VAL 30 1HG2 VAL 30 -5.014 -0.001 -1.411
187 2HG2 VAL 30 2HG2 VAL 30 -3.631 0.296 -0.361
188 3HG2 VAL 30 3HG2 VAL 30 -3.515 -0.898 -1.652
189 H TYR 31 H TYR 31 -4.257 3.937 -1.494
190 HA TYR 31 HA TYR 31 -4.022 4.458 1.380
191 1HB TYR 31 2HB TYR 31 -4.510 6.111 -0.520
192 2HB TYR 31 1HB TYR 31 -6.136 5.433 -0.560
193 HD1 TYR 31 1HD TYR 31 -7.314 7.413 0.166
194 HD2 TYR 31 2HD TYR 31 -4.117 5.790 2.533
195 HE1 TYR 31 1HE TYR 31 -7.966 8.877 2.059
196 HE2 TYR 31 2HE TYR 31 -4.770 7.250 4.421
197 HH TYR 31 HH TYR 31 -7.245 8.440 5.057
198 H ALA 32 H ALA 32 -5.074 3.263 2.896
199 HA ALA 32 HA ALA 32 -7.307 1.483 2.109
200 1HB ALA 32 1HB ALA 32 -6.878 0.470 4.262
201 2HB ALA 32 2HB ALA 32 -5.959 1.877 4.799
202 3HB ALA 32 3HB ALA 32 -5.310 0.829 3.538
203 H ARG 33 H ARG 33 -8.569 3.634 1.707
204 HA ARG 33 HA ARG 33 -10.103 4.281 4.191
205 1HB ARG 33 2HB ARG 33 -8.179 5.916 3.034
206 2HB ARG 33 1HB ARG 33 -9.676 6.531 2.339
207 1HG ARG 33 2HG ARG 33 -9.304 6.054 5.307
208 2HG ARG 33 1HG ARG 33 -8.994 7.608 4.533
209 1HD ARG 33 2HD ARG 33 -11.652 6.172 4.251
210 2HD ARG 33 1HD ARG 33 -11.329 7.343 5.545
211 HE ARG 33 HE ARG 33 -10.885 8.102 2.683
212 1HH1 ARG 33 1HH1 ARG 33 -13.376 8.169 4.885
213 2HH1 ARG 33 2HH1 ARG 33 -13.568 9.891 4.911
214 1HH2 ARG 33 1HH2 ARG 33 -10.677 10.511 3.089
215 2HH2 ARG 33 2HH2 ARG 33 -12.040 11.216 3.892
216 HA PRO 34 HA PRO 34 -12.679 3.317 0.411
217 1HB PRO 34 2HB PRO 34 -14.209 1.365 1.575
218 2HB PRO 34 1HB PRO 34 -12.662 1.035 0.771
219 1HG PRO 34 2HG PRO 34 -13.270 1.285 3.672
220 2HG PRO 34 1HG PRO 34 -12.169 0.177 2.839
221 1HD PRO 34 2HD PRO 34 -11.342 2.412 4.171
222 2HD PRO 34 1HD PRO 34 -10.457 1.693 2.807
Start of MODEL 7
1 1H GLY 1 1HT GLY 1 11.719 9.738 3.926
2 2H GLY 1 2HT GLY 1 11.225 8.539 5.024
3 3H GLY 1 3HT GLY 1 10.981 10.181 5.385
4 1HA GLY 1 2HA GLY 1 9.008 10.161 4.411
5 2HA GLY 1 1HA GLY 1 9.772 9.640 2.909
6 H CYS 2 H CYS 2 7.204 8.778 4.253
7 HA CYS 2 HA CYS 2 7.697 5.966 5.001
8 1HB CYS 2 2HB CYS 2 5.341 6.002 5.531
9 2HB CYS 2 1HB CYS 2 6.009 7.547 6.053
10 H GLY 3 H GLY 3 5.287 4.898 3.774
11 1HA GLY 3 2HA GLY 3 6.349 4.139 1.191
12 2HA GLY 3 1HA GLY 3 4.768 3.686 1.828
13 H GLY 4 H GLY 4 2.983 4.719 1.000
14 1HA GLY 4 2HA GLY 4 2.288 7.161 0.300
15 2HA GLY 4 1HA GLY 4 3.487 6.900 -0.966
16 H LEU 5 H LEU 5 1.380 7.323 -2.252
17 HA LEU 5 HA LEU 5 -0.607 5.195 -2.393
18 1HB LEU 5 2HB LEU 5 0.129 7.555 -4.144
19 2HB LEU 5 1HB LEU 5 -1.270 6.525 -4.445
20 HG LEU 5 HG LEU 5 -0.753 8.114 -1.914
21 1HD1 LEU 5 1HD1 LEU 5 -2.829 8.451 -4.100
22 2HD1 LEU 5 2HD1 LEU 5 -1.406 9.471 -3.889
23 3HD1 LEU 5 3HD1 LEU 5 -2.668 9.453 -2.657
24 1HD2 LEU 5 1HD2 LEU 5 -3.355 7.353 -1.809
25 2HD2 LEU 5 2HD2 LEU 5 -2.053 6.424 -1.064
26 3HD2 LEU 5 3HD2 LEU 5 -2.669 5.963 -2.651
27 H MET 6 H MET 6 2.581 5.439 -3.607
28 HA MET 6 HA MET 6 2.074 3.141 -5.431
29 1HB MET 6 2HB MET 6 2.033 5.492 -6.535
30 2HB MET 6 1HB MET 6 3.774 5.500 -6.249
31 1HG MET 6 2HG MET 6 3.988 3.379 -7.497
32 2HG MET 6 1HG MET 6 2.249 3.376 -7.786
33 1HE MET 6 1HE MET 6 3.136 3.645 -11.010
34 2HE MET 6 2HE MET 6 1.690 4.617 -10.751
35 3HE MET 6 3HE MET 6 1.985 3.204 -9.742
36 H ALA 7 H ALA 7 3.247 3.128 -2.835
37 HA ALA 7 HA ALA 7 6.186 3.112 -3.165
38 1HB ALA 7 1HB ALA 7 4.751 2.067 -0.755
39 2HB ALA 7 2HB ALA 7 4.581 3.781 -1.134
40 3HB ALA 7 3HB ALA 7 6.180 3.096 -0.846
41 H GLY 8 H GLY 8 6.801 1.355 -4.432
42 1HA GLY 8 2HA GLY 8 5.560 -1.180 -4.575
43 2HA GLY 8 1HA GLY 8 7.258 -0.886 -4.957
44 H CYS 9 H CYS 9 5.296 -2.663 -2.982
45 HA CYS 9 HA CYS 9 7.354 -2.790 -0.806
46 1HB CYS 9 2HB CYS 9 5.347 -3.724 0.512
47 2HB CYS 9 1HB CYS 9 5.314 -2.008 0.118
48 H ASP 10 H ASP 10 5.029 -4.790 -2.643
49 HA ASP 10 HA ASP 10 5.061 -7.089 -3.179
50 1HB ASP 10 2HB ASP 10 7.148 -5.985 -4.258
51 2HB ASP 10 1HB ASP 10 8.063 -6.785 -2.980
52 H GLY 11 H GLY 11 4.312 -7.201 -0.725
53 1HA GLY 11 2HA GLY 11 5.148 -9.506 0.497
54 2HA GLY 11 1HA GLY 11 6.285 -8.314 1.130
55 H LYS 12 H LYS 12 3.611 -9.860 2.006
56 HA LYS 12 HA LYS 12 1.785 -7.817 2.887
57 1HB LYS 12 2HB LYS 12 0.968 -9.691 4.367
58 2HB LYS 12 1HB LYS 12 1.130 -10.144 2.672
59 1HG LYS 12 2HG LYS 12 2.349 -11.896 3.439
60 2HG LYS 12 1HG LYS 12 3.638 -10.720 3.675
61 1HD LYS 12 2HD LYS 12 2.952 -10.354 5.980
62 2HD LYS 12 1HD LYS 12 1.549 -11.402 5.762
63 1HE LYS 12 2HE LYS 12 3.359 -12.648 6.889
64 2HE LYS 12 1HE LYS 12 3.105 -13.310 5.263
65 1HZ LYS 12 1HZ LYS 12 4.927 -12.109 4.419
66 2HZ LYS 12 2HZ LYS 12 5.486 -12.759 5.885
67 3HZ LYS 12 3HZ LYS 12 5.037 -11.124 5.795
68 H SER 13 H SER 13 4.917 -8.676 4.056
69 HA SER 13 HA SER 13 4.361 -7.621 6.790
70 1HB SER 13 2HB SER 13 6.372 -9.348 5.448
71 2HB SER 13 1HB SER 13 6.981 -8.343 6.760
72 HG SER 13 HG SER 13 6.098 -9.737 8.047
73 H THR 14 H THR 14 4.626 -5.992 4.137
74 HA THR 14 HA THR 14 7.065 -4.405 4.515
75 HB THR 14 HB THR 14 5.863 -4.951 2.330
76 HG1 THR 14 1HG THR 14 6.050 -2.166 2.702
77 1HG2 THR 14 1HG2 THR 14 4.056 -2.634 2.793
78 2HG2 THR 14 2HG2 THR 14 3.616 -4.144 3.594
79 3HG2 THR 14 3HG2 THR 14 3.797 -4.096 1.841
80 H PHE 15 H PHE 15 6.801 -1.935 4.725
81 HA PHE 15 HA PHE 15 4.569 -1.250 6.616
82 1HB PHE 15 2HB PHE 15 7.547 -0.712 6.744
83 2HB PHE 15 1HB PHE 15 6.389 0.176 7.735
84 HD1 PHE 15 1HD PHE 15 8.358 -2.793 7.475
85 HD2 PHE 15 2HD PHE 15 4.713 -1.243 9.140
86 HE1 PHE 15 1HE PHE 15 8.297 -4.671 9.094
87 HE2 PHE 15 2HE PHE 15 4.654 -3.121 10.758
88 HZ PHE 15 HZ PHE 15 6.446 -4.834 10.735
89 H CYS 16 H CYS 16 3.652 0.788 6.307
90 HA CYS 16 HA CYS 16 4.807 2.499 4.125
91 1HB CYS 16 2HB CYS 16 1.947 1.677 4.730
92 2HB CYS 16 1HB CYS 16 2.366 2.936 3.570
93 H CYS 17 H CYS 17 2.630 4.470 4.528
94 HA CYS 17 HA CYS 17 3.828 6.091 6.581
95 1HB CYS 17 2HB CYS 17 1.959 6.310 4.453
96 2HB CYS 17 1HB CYS 17 1.150 6.905 5.903
97 H SER 18 H SER 18 0.436 4.949 6.480
98 HA SER 18 HA SER 18 0.597 4.152 9.335
99 1HB SER 18 2HB SER 18 -0.785 6.547 8.205
100 2HB SER 18 1HB SER 18 -1.605 5.674 9.495
101 HG SER 18 HG SER 18 -0.308 7.091 10.527
102 H GLY 19 H GLY 19 -2.194 4.992 7.286
103 1HA GLY 19 2HA GLY 19 -3.188 2.210 7.620
104 2HA GLY 19 1HA GLY 19 -4.174 3.597 7.158
105 H TYR 20 H TYR 20 -1.168 3.491 5.514
106 HA TYR 20 HA TYR 20 -2.452 3.076 2.938
107 1HB TYR 20 2HB TYR 20 0.306 3.540 4.035
108 2HB TYR 20 1HB TYR 20 0.144 3.002 2.364
109 HD1 TYR 20 1HD TYR 20 0.409 4.813 0.926
110 HD2 TYR 20 2HD TYR 20 -1.911 5.317 4.503
111 HE1 TYR 20 1HE TYR 20 -0.178 7.116 0.221
112 HE2 TYR 20 2HE TYR 20 -2.498 7.620 3.799
113 HH TYR 20 HH TYR 20 -2.358 8.735 0.867
114 H ASN 21 H ASN 21 -2.988 1.071 2.164
115 HA ASN 21 HA ASN 21 -1.492 -1.315 3.178
116 1HB ASN 21 2HB ASN 21 -4.172 -0.730 3.075
117 2HB ASN 21 1HB ASN 21 -3.961 -1.653 1.587
118 1HD2 ASN 21 1HD2 ASN 21 -4.618 -3.767 2.072
119 2HD2 ASN 21 2HD2 ASN 21 -4.104 -4.646 3.431
120 H CYS 22 H CYS 22 -0.803 -2.933 1.636
121 HA CYS 22 HA CYS 22 -0.030 -1.797 -0.980
122 1HB CYS 22 2HB CYS 22 0.692 -4.128 0.753
123 2HB CYS 22 1HB CYS 22 1.062 -4.230 -0.969
124 H SER 23 H SER 23 -0.934 -2.396 -2.924
125 HA SER 23 HA SER 23 -3.334 -4.112 -2.899
126 1HB SER 23 2HB SER 23 -2.758 -1.840 -4.169
127 2HB SER 23 1HB SER 23 -2.095 -2.943 -5.370
128 HG SER 23 HG SER 23 -4.694 -2.409 -4.700
129 HA PRO 24 HA PRO 24 -1.082 -7.692 -4.203
130 1HB PRO 24 2HB PRO 24 -3.186 -9.189 -5.103
131 2HB PRO 24 1HB PRO 24 -2.844 -8.934 -3.380
132 1HG PRO 24 2HG PRO 24 -4.855 -7.608 -5.124
133 2HG PRO 24 1HG PRO 24 -4.985 -8.116 -3.434
134 1HD PRO 24 2HD PRO 24 -4.556 -5.533 -4.213
135 2HD PRO 24 1HD PRO 24 -4.034 -6.193 -2.648
136 H THR 25 H THR 25 -3.231 -5.947 -6.388
137 HA THR 25 HA THR 25 -2.154 -7.323 -8.778
138 HB THR 25 HB THR 25 -4.548 -6.779 -8.590
139 HG1 THR 25 1HG THR 25 -4.582 -6.349 -10.634
140 1HG2 THR 25 1HG2 THR 25 -3.452 -4.089 -7.973
141 2HG2 THR 25 2HG2 THR 25 -4.909 -4.876 -7.371
142 3HG2 THR 25 3HG2 THR 25 -4.903 -4.134 -8.971
143 H TRP 26 H TRP 26 -1.642 -4.332 -7.007
144 HA TRP 26 HA TRP 26 -0.055 -3.187 -9.264
145 1HB TRP 26 2HB TRP 26 -0.898 -2.026 -6.591
146 2HB TRP 26 1HB TRP 26 -0.175 -1.137 -7.925
147 HD1 TRP 26 HD TRP 26 -1.980 -2.820 -10.142
148 HE1 TRP 26 1HE TRP 26 -4.423 -2.076 -10.454
149 HE3 TRP 26 3HE TRP 26 -2.679 -0.246 -5.793
150 HZ2 TRP 26 2HZ TRP 26 -6.409 -0.564 -9.058
151 HZ3 TRP 26 3HZ TRP 26 -4.852 0.841 -5.310
152 HH2 TRP 26 HH TRP 26 -6.718 0.684 -6.935
153 H LYS 27 H LYS 27 0.302 -4.684 -6.135
154 HA LYS 27 HA LYS 27 2.224 -5.425 -5.010
155 1HB LYS 27 2HB LYS 27 2.878 -5.329 -7.684
156 2HB LYS 27 1HB LYS 27 4.130 -4.318 -6.960
157 1HG LYS 27 2HG LYS 27 4.999 -6.532 -6.889
158 2HG LYS 27 1HG LYS 27 4.447 -6.201 -5.248
159 1HD LYS 27 2HD LYS 27 2.323 -7.299 -6.934
160 2HD LYS 27 1HD LYS 27 3.704 -8.386 -6.804
161 1HE LYS 27 2HE LYS 27 2.968 -8.998 -4.751
162 2HE LYS 27 1HE LYS 27 3.242 -7.337 -4.193
163 1HZ LYS 27 1HZ LYS 27 0.780 -8.546 -5.277
164 2HZ LYS 27 2HZ LYS 27 1.039 -6.876 -5.451
165 3HZ LYS 27 3HZ LYS 27 0.975 -7.572 -3.903
166 H TRP 28 H TRP 28 1.331 -2.292 -5.281
167 HA TRP 28 HA TRP 28 3.656 -1.393 -3.622
168 1HB TRP 28 2HB TRP 28 3.457 0.815 -4.654
169 2HB TRP 28 1HB TRP 28 3.682 -0.407 -5.895
170 HD1 TRP 28 HD TRP 28 0.494 0.984 -4.140
171 HE1 TRP 28 1HE TRP 28 -1.195 1.620 -5.977
172 HE3 TRP 28 3HE TRP 28 3.218 -0.200 -8.292
173 HZ2 TRP 28 2HZ TRP 28 -1.370 1.632 -8.827
174 HZ3 TRP 28 3HZ TRP 28 2.267 0.136 -10.555
175 HH2 TRP 28 HH TRP 28 -0.021 1.051 -10.827
176 H CYS 29 H CYS 29 2.987 0.608 -2.255
177 HA CYS 29 HA CYS 29 0.605 -0.144 -0.720
178 1HB CYS 29 2HB CYS 29 3.045 0.902 -0.137
179 2HB CYS 29 1HB CYS 29 2.067 2.369 -0.144
180 H VAL 30 H VAL 30 -1.250 1.122 -0.438
181 HA VAL 30 HA VAL 30 -1.580 3.541 -2.174
182 HB VAL 30 HB VAL 30 -3.748 2.642 -2.902
183 1HG1 VAL 30 1HG1 VAL 30 -1.820 0.352 -3.233
184 2HG1 VAL 30 2HG1 VAL 30 -1.487 1.918 -3.973
185 3HG1 VAL 30 3HG1 VAL 30 -2.947 1.031 -4.406
186 1HG2 VAL 30 1HG2 VAL 30 -3.562 -0.075 -2.026
187 2HG2 VAL 30 2HG2 VAL 30 -4.817 1.105 -1.649
188 3HG2 VAL 30 3HG2 VAL 30 -3.404 0.958 -0.605
189 H TYR 31 H TYR 31 -4.134 4.225 -1.514
190 HA TYR 31 HA TYR 31 -3.921 4.818 1.392
191 1HB TYR 31 2HB TYR 31 -4.306 6.720 0.020
192 2HB TYR 31 1HB TYR 31 -5.493 5.872 -0.968
193 HD1 TYR 31 1HD TYR 31 -7.791 5.994 -0.453
194 HD2 TYR 31 2HD TYR 31 -4.886 7.131 2.504
195 HE1 TYR 31 1HE TYR 31 -9.609 6.828 1.012
196 HE2 TYR 31 2HE TYR 31 -6.706 7.965 3.967
197 HH TYR 31 HH TYR 31 -9.579 7.180 3.951
198 H ALA 32 H ALA 32 -5.383 3.999 2.889
199 HA ALA 32 HA ALA 32 -7.191 1.833 1.990
200 1HB ALA 32 1HB ALA 32 -5.886 1.280 3.870
201 2HB ALA 32 2HB ALA 32 -7.435 1.723 4.590
202 3HB ALA 32 3HB ALA 32 -6.098 2.873 4.599
203 H ARG 33 H ARG 33 -9.447 1.911 2.202
204 HA ARG 33 HA ARG 33 -10.856 4.327 1.929
205 1HB ARG 33 2HB ARG 33 -11.502 1.519 2.749
206 2HB ARG 33 1HB ARG 33 -12.764 2.741 2.907
207 1HG ARG 33 2HG ARG 33 -11.192 2.527 0.351
208 2HG ARG 33 1HG ARG 33 -12.540 1.430 0.651
209 1HD ARG 33 2HD ARG 33 -14.123 3.133 0.570
210 2HD ARG 33 1HD ARG 33 -12.966 4.371 1.097
211 HE ARG 33 HE ARG 33 -12.549 3.087 -1.558
212 1HH1 ARG 33 1HH2 ARG 33 -14.808 5.084 -1.572
213 2HH1 ARG 33 2HH2 ARG 33 -13.983 6.553 -1.976
214 1HH2 ARG 33 1HH1 ARG 33 -10.829 5.300 -1.232
215 2HH2 ARG 33 2HH1 ARG 33 -11.727 6.675 -1.783
216 HA PRO 34 HA PRO 34 -11.857 4.338 6.617
217 1HB PRO 34 2HB PRO 34 -10.489 2.619 8.255
218 2HB PRO 34 1HB PRO 34 -12.031 2.199 7.482
219 1HG PRO 34 2HG PRO 34 -9.260 1.451 6.703
220 2HG PRO 34 1HG PRO 34 -10.745 0.490 6.654
221 1HD PRO 34 2HD PRO 34 -9.637 1.660 4.457
222 2HD PRO 34 1HD PRO 34 -11.374 1.327 4.620
Start of MODEL 8
1 1H GLY 1 1HT GLY 1 10.928 6.493 2.722
2 2H GLY 1 2HT GLY 1 11.746 5.130 2.119
3 3H GLY 1 3HT GLY 1 12.612 6.370 2.895
4 1HA GLY 1 2HA GLY 1 12.323 4.419 4.328
5 2HA GLY 1 1HA GLY 1 11.573 5.873 4.990
6 H CYS 2 H CYS 2 9.199 6.169 4.376
7 HA CYS 2 HA CYS 2 7.803 3.567 4.737
8 1HB CYS 2 2HB CYS 2 5.954 4.987 5.452
9 2HB CYS 2 1HB CYS 2 7.432 5.548 6.233
10 H GLY 3 H GLY 3 5.423 3.788 3.600
11 1HA GLY 3 2HA GLY 3 6.023 4.051 0.699
12 2HA GLY 3 1HA GLY 3 4.675 3.147 1.386
13 H GLY 4 H GLY 4 3.106 4.236 0.109
14 1HA GLY 4 2HA GLY 4 1.981 6.611 1.237
15 2HA GLY 4 1HA GLY 4 2.869 7.040 -0.225
16 H LEU 5 H LEU 5 1.729 6.919 -2.103
17 HA LEU 5 HA LEU 5 -0.813 5.329 -2.108
18 1HB LEU 5 2HB LEU 5 -0.353 7.980 -2.583
19 2HB LEU 5 1HB LEU 5 -0.282 7.329 -4.221
20 HG LEU 5 HG LEU 5 -2.476 6.097 -2.838
21 1HD1 LEU 5 1HD1 LEU 5 -3.843 8.214 -2.566
22 2HD1 LEU 5 2HD1 LEU 5 -2.334 9.118 -2.697
23 3HD1 LEU 5 3HD1 LEU 5 -2.574 7.991 -1.362
24 1HD2 LEU 5 1HD2 LEU 5 -3.744 7.226 -4.704
25 2HD2 LEU 5 2HD2 LEU 5 -2.348 6.297 -5.251
26 3HD2 LEU 5 3HD2 LEU 5 -2.251 8.055 -5.145
27 H MET 6 H MET 6 2.332 5.517 -3.533
28 HA MET 6 HA MET 6 1.679 3.255 -5.328
29 1HB MET 6 2HB MET 6 1.843 5.976 -6.170
30 2HB MET 6 1HB MET 6 3.273 5.151 -6.790
31 1HG MET 6 2HG MET 6 2.023 3.644 -8.054
32 2HG MET 6 1HG MET 6 0.587 3.832 -7.047
33 1HE MET 6 1HE MET 6 -0.749 3.854 -9.160
34 2HE MET 6 2HE MET 6 -1.353 5.420 -9.692
35 3HE MET 6 3HE MET 6 -1.429 4.988 -7.986
36 H ALA 7 H ALA 7 3.307 3.665 -2.879
37 HA ALA 7 HA ALA 7 6.126 3.766 -3.572
38 1HB ALA 7 1HB ALA 7 6.111 4.055 -1.332
39 2HB ALA 7 2HB ALA 7 5.670 2.359 -1.138
40 3HB ALA 7 3HB ALA 7 4.414 3.588 -1.266
41 H GLY 8 H GLY 8 7.206 1.537 -2.293
42 1HA GLY 8 2HA GLY 8 6.464 -0.608 -4.223
43 2HA GLY 8 1HA GLY 8 8.018 -0.482 -3.399
44 H CYS 9 H CYS 9 5.159 -2.143 -3.436
45 HA CYS 9 HA CYS 9 5.294 -2.821 -0.521
46 1HB CYS 9 2HB CYS 9 3.191 -2.220 -2.391
47 2HB CYS 9 1HB CYS 9 2.970 -3.863 -1.793
48 H ASP 10 H ASP 10 7.215 -3.974 -2.309
49 HA ASP 10 HA ASP 10 6.349 -6.572 -3.271
50 1HB ASP 10 2HB ASP 10 9.003 -5.225 -2.707
51 2HB ASP 10 1HB ASP 10 8.917 -6.881 -3.311
52 H GLY 11 H GLY 11 5.217 -7.302 -1.294
53 1HA GLY 11 2HA GLY 11 6.225 -9.305 0.178
54 2HA GLY 11 1HA GLY 11 6.885 -7.925 1.062
55 H LYS 12 H LYS 12 4.414 -10.034 1.193
56 HA LYS 12 HA LYS 12 2.085 -8.386 1.598
57 1HB LYS 12 2HB LYS 12 1.143 -10.442 2.473
58 2HB LYS 12 1HB LYS 12 2.204 -10.862 1.129
59 1HG LYS 12 2HG LYS 12 4.029 -11.084 3.015
60 2HG LYS 12 1HG LYS 12 2.631 -11.266 4.074
61 1HD LYS 12 2HD LYS 12 2.293 -13.377 3.374
62 2HD LYS 12 1HD LYS 12 2.299 -12.869 1.686
63 1HE LYS 12 2HE LYS 12 4.876 -13.178 3.249
64 2HE LYS 12 1HE LYS 12 4.143 -14.533 2.370
65 1HZ LYS 12 1HZ LYS 12 5.432 -13.573 0.739
66 2HZ LYS 12 2HZ LYS 12 5.201 -11.994 1.316
67 3HZ LYS 12 3HZ LYS 12 3.955 -12.786 0.474
68 H SER 13 H SER 13 4.903 -8.747 3.522
69 HA SER 13 HA SER 13 3.440 -7.949 6.013
70 1HB SER 13 2HB SER 13 4.984 -10.034 5.762
71 2HB SER 13 1HB SER 13 6.306 -8.870 5.802
72 HG SER 13 HG SER 13 5.489 -9.824 7.876
73 H THR 14 H THR 14 4.260 -6.127 3.716
74 HA THR 14 HA THR 14 6.422 -4.487 4.912
75 HB THR 14 HB THR 14 6.135 -5.054 2.431
76 HG1 THR 14 1HG THR 14 6.118 -2.287 3.033
77 1HG2 THR 14 1HG2 THR 14 4.462 -4.010 1.154
78 2HG2 THR 14 2HG2 THR 14 4.098 -2.836 2.419
79 3HG2 THR 14 3HG2 THR 14 3.597 -4.517 2.604
80 H PHE 15 H PHE 15 6.055 -2.242 5.492
81 HA PHE 15 HA PHE 15 3.203 -1.649 6.214
82 1HB PHE 15 2HB PHE 15 5.846 -1.366 7.572
83 2HB PHE 15 1HB PHE 15 4.642 -0.116 7.895
84 HD1 PHE 15 1HD PHE 15 3.001 -0.490 9.517
85 HD2 PHE 15 2HD PHE 15 4.987 -3.852 7.725
86 HE1 PHE 15 1HE PHE 15 1.814 -2.018 11.068
87 HE2 PHE 15 2HE PHE 15 3.800 -5.379 9.275
88 HZ PHE 15 HZ PHE 15 2.213 -4.463 10.946
89 H CYS 16 H CYS 16 2.528 0.583 6.026
90 HA CYS 16 HA CYS 16 4.016 2.090 3.914
91 1HB CYS 16 2HB CYS 16 1.179 2.391 4.952
92 2HB CYS 16 1HB CYS 16 1.838 3.088 3.474
93 H CYS 17 H CYS 17 2.991 4.636 4.345
94 HA CYS 17 HA CYS 17 4.575 5.544 6.634
95 1HB CYS 17 2HB CYS 17 3.825 6.533 4.162
96 2HB CYS 17 1HB CYS 17 2.825 7.472 5.267
97 H SER 18 H SER 18 1.233 6.446 5.744
98 HA SER 18 HA SER 18 0.137 5.643 8.333
99 1HB SER 18 2HB SER 18 1.326 8.275 7.896
100 2HB SER 18 1HB SER 18 -0.360 8.398 8.386
101 HG SER 18 HG SER 18 0.113 7.520 10.273
102 H GLY 19 H GLY 19 -1.954 5.105 7.856
103 1HA GLY 19 2HA GLY 19 -4.132 5.278 6.972
104 2HA GLY 19 1HA GLY 19 -3.709 6.878 6.367
105 H TYR 20 H TYR 20 -1.822 4.001 5.574
106 HA TYR 20 HA TYR 20 -2.939 4.105 2.791
107 1HB TYR 20 2HB TYR 20 -0.068 3.974 3.755
108 2HB TYR 20 1HB TYR 20 -0.539 3.672 2.084
109 HD1 TYR 20 1HD TYR 20 0.960 6.069 3.884
110 HD2 TYR 20 2HD TYR 20 -2.587 5.619 1.502
111 HE1 TYR 20 1HE TYR 20 0.943 8.509 3.444
112 HE2 TYR 20 2HE TYR 20 -2.603 8.058 1.064
113 HH TYR 20 HH TYR 20 -0.269 9.967 1.227
114 H ASN 21 H ASN 21 -3.503 2.120 2.007
115 HA ASN 21 HA ASN 21 -2.847 -0.287 3.627
116 1HB ASN 21 2HB ASN 21 -5.197 0.184 3.103
117 2HB ASN 21 1HB ASN 21 -4.816 0.276 1.384
118 1HD2 ASN 21 1HD2 ASN 21 -4.675 -1.697 0.207
119 2HD2 ASN 21 2HD2 ASN 21 -4.899 -3.223 0.915
120 H CYS 22 H CYS 22 -1.626 -1.972 2.781
121 HA CYS 22 HA CYS 22 -0.085 -1.402 0.329
122 1HB CYS 22 2HB CYS 22 1.009 -2.165 2.376
123 2HB CYS 22 1HB CYS 22 -0.008 -3.606 2.409
124 H SER 23 H SER 23 -0.455 -2.374 -1.621
125 HA SER 23 HA SER 23 -2.556 -4.504 -1.776
126 1HB SER 23 2HB SER 23 -1.767 -2.133 -3.323
127 2HB SER 23 1HB SER 23 -2.015 -3.555 -4.330
128 HG SER 23 HG SER 23 -3.935 -2.293 -3.909
129 HA PRO 24 HA PRO 24 0.968 -7.120 -2.738
130 1HB PRO 24 2HB PRO 24 -0.448 -9.454 -2.928
131 2HB PRO 24 1HB PRO 24 0.011 -8.726 -1.376
132 1HG PRO 24 2HG PRO 24 -2.601 -8.660 -2.797
133 2HG PRO 24 1HG PRO 24 -2.260 -8.797 -1.066
134 1HD PRO 24 2HD PRO 24 -3.047 -6.480 -2.280
135 2HD PRO 24 1HD PRO 24 -2.079 -6.536 -0.791
136 H THR 25 H THR 25 -2.064 -6.986 -4.560
137 HA THR 25 HA THR 25 -1.009 -8.334 -6.932
138 HB THR 25 HB THR 25 -3.463 -6.612 -6.440
139 HG1 THR 25 1HG THR 25 -4.233 -8.330 -5.554
140 1HG2 THR 25 1HG2 THR 25 -4.319 -7.978 -8.439
141 2HG2 THR 25 2HG2 THR 25 -2.629 -8.379 -8.743
142 3HG2 THR 25 3HG2 THR 25 -3.158 -6.698 -8.794
143 H TRP 26 H TRP 26 -1.256 -5.001 -5.796
144 HA TRP 26 HA TRP 26 -0.436 -3.941 -8.453
145 1HB TRP 26 2HB TRP 26 -1.178 -2.579 -5.841
146 2HB TRP 26 1HB TRP 26 -0.975 -1.780 -7.399
147 HD1 TRP 26 HD TRP 26 -3.336 -4.085 -5.490
148 HE1 TRP 26 1HE TRP 26 -5.573 -4.237 -6.758
149 HE3 TRP 26 3HE TRP 26 -2.093 -1.600 -9.775
150 HZ2 TRP 26 2HZ TRP 26 -6.690 -3.412 -9.256
151 HZ3 TRP 26 3HZ TRP 26 -3.762 -1.298 -11.581
152 HH2 TRP 26 HH TRP 26 -6.056 -2.201 -11.327
153 H LYS 27 H LYS 27 1.011 -4.886 -5.481
154 HA LYS 27 HA LYS 27 3.220 -4.769 -4.713
155 1HB LYS 27 2HB LYS 27 3.253 -4.712 -7.535
156 2HB LYS 27 1HB LYS 27 4.412 -3.488 -7.019
157 1HG LYS 27 2HG LYS 27 5.630 -5.546 -7.134
158 2HG LYS 27 1HG LYS 27 5.359 -5.232 -5.420
159 1HD LYS 27 2HD LYS 27 3.173 -6.653 -5.802
160 2HD LYS 27 1HD LYS 27 4.056 -7.270 -7.200
161 1HE LYS 27 2HE LYS 27 5.981 -7.816 -5.655
162 2HE LYS 27 1HE LYS 27 4.926 -7.389 -4.293
163 1HZ LYS 27 1HZ LYS 27 3.277 -8.966 -5.155
164 2HZ LYS 27 2HZ LYS 27 4.737 -9.741 -4.762
165 3HZ LYS 27 3HZ LYS 27 4.351 -9.422 -6.387
166 H TRP 28 H TRP 28 1.361 -2.371 -4.434
167 HA TRP 28 HA TRP 28 3.418 -0.555 -3.403
168 1HB TRP 28 2HB TRP 28 2.792 1.369 -4.746
169 2HB TRP 28 1HB TRP 28 3.232 0.055 -5.822
170 HD1 TRP 28 HD TRP 28 -0.128 1.156 -4.179
171 HE1 TRP 28 1HE TRP 28 -1.919 1.181 -6.033
172 HE3 TRP 28 3HE TRP 28 2.717 -0.236 -8.172
173 HZ2 TRP 28 2HZ TRP 28 -2.114 0.692 -8.842
174 HZ3 TRP 28 3HZ TRP 28 1.712 -0.440 -10.428
175 HH2 TRP 28 HH TRP 28 -0.699 0.024 -10.768
176 H CYS 29 H CYS 29 2.526 0.932 -1.850
177 HA CYS 29 HA CYS 29 -0.023 0.059 -0.691
178 1HB CYS 29 2HB CYS 29 2.177 0.737 0.478
179 2HB CYS 29 1HB CYS 29 1.698 2.399 0.143
180 H VAL 30 H VAL 30 -1.905 1.333 -0.529
181 HA VAL 30 HA VAL 30 -1.976 3.879 -2.116
182 HB VAL 30 HB VAL 30 -4.196 3.116 -2.943
183 1HG1 VAL 30 1HG1 VAL 30 -2.050 2.582 -4.166
184 2HG1 VAL 30 2HG1 VAL 30 -3.391 1.491 -4.517
185 3HG1 VAL 30 3HG1 VAL 30 -2.105 0.983 -3.422
186 1HG2 VAL 30 1HG2 VAL 30 -5.281 1.355 -2.036
187 2HG2 VAL 30 2HG2 VAL 30 -4.031 1.325 -0.792
188 3HG2 VAL 30 3HG2 VAL 30 -3.872 0.311 -2.226
189 H TYR 31 H TYR 31 -4.571 4.620 -1.589
190 HA TYR 31 HA TYR 31 -4.460 5.584 1.123
191 1HB TYR 31 2HB TYR 31 -5.687 6.395 -1.075
192 2HB TYR 31 1HB TYR 31 -6.999 5.382 -0.473
193 HD1 TYR 31 1HD TYR 31 -8.047 5.852 1.728
194 HD2 TYR 31 2HD TYR 31 -5.074 8.452 0.037
195 HE1 TYR 31 1HE TYR 31 -8.697 7.634 3.324
196 HE2 TYR 31 2HE TYR 31 -5.726 10.235 1.632
197 HH TYR 31 HH TYR 31 -8.350 10.530 3.081
198 H ALA 32 H ALA 32 -5.777 4.935 2.937
199 HA ALA 32 HA ALA 32 -6.455 2.054 2.956
200 1HB ALA 32 1HB ALA 32 -6.844 2.673 5.430
201 2HB ALA 32 2HB ALA 32 -6.235 4.272 5.001
202 3HB ALA 32 3HB ALA 32 -5.201 2.855 4.818
203 H ARG 33 H ARG 33 -8.506 1.415 2.464
204 HA ARG 33 HA ARG 33 -10.784 3.246 3.152
205 1HB ARG 33 2HB ARG 33 -9.834 2.333 0.626
206 2HB ARG 33 1HB ARG 33 -11.364 1.509 0.928
207 1HG ARG 33 2HG ARG 33 -12.340 3.412 0.185
208 2HG ARG 33 1HG ARG 33 -11.902 4.090 1.754
209 1HD ARG 33 2HD ARG 33 -9.658 4.733 0.726
210 2HD ARG 33 1HD ARG 33 -10.362 4.313 -0.849
211 HE ARG 33 HE ARG 33 -12.138 6.008 -0.393
212 1HH1 ARG 33 1HH1 ARG 33 -11.420 6.182 2.596
213 2HH1 ARG 33 2HH1 ARG 33 -10.661 7.737 2.654
214 1HH2 ARG 33 1HH2 ARG 33 -10.234 7.948 -0.789
215 2HH2 ARG 33 2HH2 ARG 33 -9.986 8.740 0.731
216 HA PRO 34 HA PRO 34 -11.489 -0.765 5.258
217 1HB PRO 34 2HB PRO 34 -12.837 0.318 7.384
218 2HB PRO 34 1HB PRO 34 -11.067 0.216 7.310
219 1HG PRO 34 2HG PRO 34 -12.852 2.538 6.789
220 2HG PRO 34 1HG PRO 34 -11.276 2.483 7.591
221 1HD PRO 34 2HD PRO 34 -11.627 3.320 5.018
222 2HD PRO 34 1HD PRO 34 -10.120 2.594 5.620
Start of MODEL 9
1 1H GLY 1 1HT GLY 1 11.081 6.066 8.542
2 2H GLY 1 2HT GLY 1 9.909 4.844 8.390
3 3H GLY 1 3HT GLY 1 9.434 6.455 8.653
4 1HA GLY 1 2HA GLY 1 10.316 7.103 6.503
5 2HA GLY 1 1HA GLY 1 10.811 5.432 6.228
6 H CYS 2 H CYS 2 8.345 7.635 5.691
7 HA CYS 2 HA CYS 2 6.098 5.723 5.745
8 1HB CYS 2 2HB CYS 2 6.554 8.623 5.081
9 2HB CYS 2 1HB CYS 2 5.049 7.848 4.589
10 H GLY 3 H GLY 3 5.162 4.775 3.895
11 1HA GLY 3 2HA GLY 3 6.865 4.544 1.535
12 2HA GLY 3 1HA GLY 3 5.303 3.757 1.768
13 H GLY 4 H GLY 4 3.369 4.954 1.248
14 1HA GLY 4 2HA GLY 4 2.851 7.497 0.547
15 2HA GLY 4 1HA GLY 4 3.826 7.002 -0.837
16 H LEU 5 H LEU 5 1.816 7.432 -2.083
17 HA LEU 5 HA LEU 5 -0.401 5.495 -1.713
18 1HB LEU 5 2HB LEU 5 -0.245 8.130 -2.417
19 2HB LEU 5 1HB LEU 5 -0.371 7.366 -4.003
20 HG LEU 5 HG LEU 5 -2.206 6.233 -2.006
21 1HD1 LEU 5 1HD1 LEU 5 -2.456 8.422 -1.146
22 2HD1 LEU 5 2HD1 LEU 5 -3.763 8.269 -2.320
23 3HD1 LEU 5 3HD1 LEU 5 -2.300 9.159 -2.740
24 1HD2 LEU 5 1HD2 LEU 5 -2.954 5.584 -4.045
25 2HD2 LEU 5 2HD2 LEU 5 -2.042 6.849 -4.868
26 3HD2 LEU 5 3HD2 LEU 5 -3.629 7.206 -4.187
27 H MET 6 H MET 6 2.549 5.465 -3.337
28 HA MET 6 HA MET 6 1.632 3.273 -5.110
29 1HB MET 6 2HB MET 6 2.117 5.983 -5.946
30 2HB MET 6 1HB MET 6 3.357 4.946 -6.651
31 1HG MET 6 2HG MET 6 0.771 3.656 -6.807
32 2HG MET 6 1HG MET 6 0.700 5.257 -7.541
33 1HE MET 6 1HE MET 6 0.476 3.962 -10.320
34 2HE MET 6 2HE MET 6 1.851 4.968 -10.769
35 3HE MET 6 3HE MET 6 0.743 5.513 -9.513
36 H ALA 7 H ALA 7 3.329 3.445 -2.706
37 HA ALA 7 HA ALA 7 6.120 3.182 -3.614
38 1HB ALA 7 1HB ALA 7 4.566 3.226 -1.066
39 2HB ALA 7 2HB ALA 7 6.035 4.101 -1.498
40 3HB ALA 7 3HB ALA 7 6.124 2.402 -1.033
41 H GLY 8 H GLY 8 6.462 1.306 -4.817
42 1HA GLY 8 2HA GLY 8 5.114 -1.166 -4.564
43 2HA GLY 8 1HA GLY 8 6.743 -0.992 -5.217
44 H CYS 9 H CYS 9 4.970 -2.356 -2.715
45 HA CYS 9 HA CYS 9 7.286 -2.368 -0.830
46 1HB CYS 9 2HB CYS 9 5.610 -3.012 0.819
47 2HB CYS 9 1HB CYS 9 5.027 -1.619 -0.083
48 H ASP 10 H ASP 10 5.138 -4.552 -2.636
49 HA ASP 10 HA ASP 10 5.322 -6.851 -3.128
50 1HB ASP 10 2HB ASP 10 7.485 -5.786 -3.981
51 2HB ASP 10 1HB ASP 10 8.251 -6.374 -2.507
52 H GLY 11 H GLY 11 4.160 -7.221 -0.988
53 1HA GLY 11 2HA GLY 11 5.110 -9.361 0.472
54 2HA GLY 11 1HA GLY 11 5.755 -7.966 1.338
55 H LYS 12 H LYS 12 3.704 -9.917 2.217
56 HA LYS 12 HA LYS 12 1.159 -8.423 2.238
57 1HB LYS 12 2HB LYS 12 0.331 -10.395 3.329
58 2HB LYS 12 1HB LYS 12 1.468 -10.948 2.103
59 1HG LYS 12 2HG LYS 12 3.088 -10.545 4.321
60 2HG LYS 12 1HG LYS 12 1.608 -11.198 5.020
61 1HD LYS 12 2HD LYS 12 1.718 -13.162 3.672
62 2HD LYS 12 1HD LYS 12 2.956 -12.464 2.627
63 1HE LYS 12 2HE LYS 12 3.505 -12.785 5.577
64 2HE LYS 12 1HE LYS 12 3.709 -14.162 4.477
65 1HZ LYS 12 1HZ LYS 12 4.931 -11.470 4.147
66 2HZ LYS 12 2HZ LYS 12 5.078 -12.755 3.043
67 3HZ LYS 12 3HZ LYS 12 5.752 -12.884 4.597
68 H SER 13 H SER 13 4.020 -8.102 3.956
69 HA SER 13 HA SER 13 2.632 -6.689 6.172
70 1HB SER 13 2HB SER 13 4.118 -7.937 7.793
71 2HB SER 13 1HB SER 13 2.932 -8.960 6.988
72 HG SER 13 HG SER 13 5.399 -9.469 7.082
73 H THR 14 H THR 14 3.945 -5.464 4.072
74 HA THR 14 HA THR 14 6.769 -4.984 4.579
75 HB THR 14 HB THR 14 5.460 -4.812 2.394
76 HG1 THR 14 1HG THR 14 7.322 -3.883 2.085
77 1HG2 THR 14 1HG2 THR 14 4.764 -2.048 2.651
78 2HG2 THR 14 2HG2 THR 14 3.982 -2.936 3.960
79 3HG2 THR 14 3HG2 THR 14 3.709 -3.411 2.285
80 H PHE 15 H PHE 15 7.142 -2.281 4.531
81 HA PHE 15 HA PHE 15 5.812 -1.308 7.042
82 1HB PHE 15 2HB PHE 15 8.266 -2.006 7.104
83 2HB PHE 15 1HB PHE 15 8.593 -0.650 6.026
84 HD1 PHE 15 1HD PHE 15 8.571 1.621 6.820
85 HD2 PHE 15 2HD PHE 15 7.329 -1.595 9.384
86 HE1 PHE 15 1HE PHE 15 8.591 3.161 8.763
87 HE2 PHE 15 2HE PHE 15 7.351 -0.054 11.326
88 HZ PHE 15 HZ PHE 15 7.981 2.325 11.016
89 H CYS 16 H CYS 16 4.247 0.055 6.124
90 HA CYS 16 HA CYS 16 5.085 2.045 4.061
91 1HB CYS 16 2HB CYS 16 2.930 0.436 4.229
92 2HB CYS 16 1HB CYS 16 2.297 1.818 5.123
93 H CYS 17 H CYS 17 2.858 3.859 5.018
94 HA CYS 17 HA CYS 17 4.438 5.264 7.103
95 1HB CYS 17 2HB CYS 17 3.624 6.307 4.940
96 2HB CYS 17 1HB CYS 17 1.981 6.152 5.556
97 H SER 18 H SER 18 1.067 6.020 7.107
98 HA SER 18 HA SER 18 0.520 4.199 9.409
99 1HB SER 18 2HB SER 18 1.293 6.908 9.586
100 2HB SER 18 1HB SER 18 -0.440 6.892 9.897
101 HG SER 18 HG SER 18 -0.130 5.621 11.618
102 H GLY 19 H GLY 19 -0.500 4.725 6.500
103 1HA GLY 19 2HA GLY 19 -3.266 4.119 7.000
104 2HA GLY 19 1HA GLY 19 -3.100 5.801 6.492
105 H TYR 20 H TYR 20 -1.192 2.981 5.454
106 HA TYR 20 HA TYR 20 -2.332 3.255 2.699
107 1HB TYR 20 2HB TYR 20 0.560 3.304 3.613
108 2HB TYR 20 1HB TYR 20 0.097 3.027 1.935
109 HD1 TYR 20 1HD TYR 20 0.533 5.488 4.562
110 HD2 TYR 20 2HD TYR 20 -1.223 4.797 0.704
111 HE1 TYR 20 1HE TYR 20 0.322 7.935 4.219
112 HE2 TYR 20 2HE TYR 20 -1.436 7.242 0.361
113 HH TYR 20 HH TYR 20 -1.485 9.404 2.527
114 H ASN 21 H ASN 21 -2.592 1.254 1.685
115 HA ASN 21 HA ASN 21 -1.488 -1.156 3.097
116 1HB ASN 21 2HB ASN 21 -4.093 -0.410 2.899
117 2HB ASN 21 1HB ASN 21 -3.935 -1.356 1.418
118 1HD2 ASN 21 1HD2 ASN 21 -3.561 -3.659 1.621
119 2HD2 ASN 21 2HD2 ASN 21 -3.661 -4.459 3.115
120 H CYS 22 H CYS 22 -0.841 -2.922 1.700
121 HA CYS 22 HA CYS 22 0.108 -2.015 -0.950
122 1HB CYS 22 2HB CYS 22 0.562 -4.343 0.899
123 2HB CYS 22 1HB CYS 22 1.099 -4.442 -0.779
124 H SER 23 H SER 23 -0.765 -2.660 -2.879
125 HA SER 23 HA SER 23 -3.234 -4.300 -2.836
126 1HB SER 23 2HB SER 23 -2.586 -2.020 -4.090
127 2HB SER 23 1HB SER 23 -2.022 -3.153 -5.313
128 HG SER 23 HG SER 23 -4.600 -2.630 -4.386
129 HA PRO 24 HA PRO 24 -1.112 -7.894 -4.293
130 1HB PRO 24 2HB PRO 24 -3.227 -9.237 -5.390
131 2HB PRO 24 1HB PRO 24 -2.974 -9.099 -3.638
132 1HG PRO 24 2HG PRO 24 -4.833 -7.600 -5.405
133 2HG PRO 24 1HG PRO 24 -5.063 -8.168 -3.745
134 1HD PRO 24 2HD PRO 24 -4.477 -5.575 -4.418
135 2HD PRO 24 1HD PRO 24 -4.104 -6.308 -2.843
136 H THR 25 H THR 25 -3.289 -6.179 -6.519
137 HA THR 25 HA THR 25 -1.984 -7.318 -8.907
138 HB THR 25 HB THR 25 -4.054 -5.116 -8.643
139 HG1 THR 25 1HG THR 25 -4.317 -7.938 -8.735
140 1HG2 THR 25 1HG2 THR 25 -4.666 -5.742 -10.907
141 2HG2 THR 25 2HG2 THR 25 -3.511 -7.076 -10.890
142 3HG2 THR 25 3HG2 THR 25 -2.934 -5.409 -10.865
143 H TRP 26 H TRP 26 -2.104 -4.222 -7.167
144 HA TRP 26 HA TRP 26 -0.406 -2.849 -9.138
145 1HB TRP 26 2HB TRP 26 -1.245 -2.046 -6.335
146 2HB TRP 26 1HB TRP 26 -0.643 -0.979 -7.592
147 HD1 TRP 26 HD TRP 26 -2.494 -2.675 -9.844
148 HE1 TRP 26 1HE TRP 26 -4.971 -1.987 -10.007
149 HE3 TRP 26 3HE TRP 26 -3.047 -0.292 -5.360
150 HZ2 TRP 26 2HZ TRP 26 -6.928 -0.605 -8.448
151 HZ3 TRP 26 3HZ TRP 26 -5.226 0.702 -4.726
152 HH2 TRP 26 HH TRP 26 -7.165 0.549 -6.263
153 H LYS 27 H LYS 27 -0.006 -4.508 -6.063
154 HA LYS 27 HA LYS 27 1.926 -5.282 -4.977
155 1HB LYS 27 2HB LYS 27 2.499 -5.346 -7.610
156 2HB LYS 27 1HB LYS 27 3.705 -4.169 -7.088
157 1HG LYS 27 2HG LYS 27 4.743 -6.321 -6.904
158 2HG LYS 27 1HG LYS 27 4.352 -5.815 -5.260
159 1HD LYS 27 2HD LYS 27 2.421 -7.231 -5.185
160 2HD LYS 27 1HD LYS 27 2.511 -7.552 -6.918
161 1HE LYS 27 2HE LYS 27 4.820 -8.581 -6.460
162 2HE LYS 27 1HE LYS 27 4.371 -8.543 -4.744
163 1HZ LYS 27 1HZ LYS 27 2.936 -9.898 -6.961
164 2HZ LYS 27 2HZ LYS 27 2.238 -9.641 -5.433
165 3HZ LYS 27 3HZ LYS 27 3.623 -10.613 -5.586
166 H TRP 28 H TRP 28 1.080 -2.142 -5.162
167 HA TRP 28 HA TRP 28 3.481 -1.314 -3.587
168 1HB TRP 28 2HB TRP 28 3.287 0.927 -4.607
169 2HB TRP 28 1HB TRP 28 3.574 -0.316 -5.813
170 HD1 TRP 28 HD TRP 28 0.306 1.084 -4.220
171 HE1 TRP 28 1HE TRP 28 -1.305 1.673 -6.145
172 HE3 TRP 28 3HE TRP 28 3.209 -0.175 -8.222
173 HZ2 TRP 28 2HZ TRP 28 -1.355 1.618 -9.000
174 HZ3 TRP 28 3HZ TRP 28 2.361 0.106 -10.534
175 HH2 TRP 28 HH TRP 28 0.081 1.000 -10.927
176 H CYS 29 H CYS 29 3.004 0.595 -2.154
177 HA CYS 29 HA CYS 29 0.661 0.029 -0.521
178 1HB CYS 29 2HB CYS 29 3.184 0.963 -0.134
179 2HB CYS 29 1HB CYS 29 2.287 2.479 -0.113
180 H VAL 30 H VAL 30 -1.297 1.035 -0.633
181 HA VAL 30 HA VAL 30 -1.509 3.691 -2.019
182 HB VAL 30 HB VAL 30 -3.611 2.884 -3.008
183 1HG1 VAL 30 1HG1 VAL 30 -1.257 2.320 -3.983
184 2HG1 VAL 30 2HG1 VAL 30 -2.676 1.518 -4.655
185 3HG1 VAL 30 3HG1 VAL 30 -1.644 0.667 -3.506
186 1HG2 VAL 30 1HG2 VAL 30 -3.155 0.657 -1.101
187 2HG2 VAL 30 2HG2 VAL 30 -3.759 0.185 -2.687
188 3HG2 VAL 30 3HG2 VAL 30 -4.667 1.332 -1.704
189 H TYR 31 H TYR 31 -3.654 4.784 -1.356
190 HA TYR 31 HA TYR 31 -3.833 5.172 1.432
191 1HB TYR 31 2HB TYR 31 -6.109 6.142 0.838
192 2HB TYR 31 1HB TYR 31 -4.779 6.739 -0.151
193 HD1 TYR 31 1HD TYR 31 -4.863 6.548 -2.493
194 HD2 TYR 31 2HD TYR 31 -7.460 4.117 -0.086
195 HE1 TYR 31 1HE TYR 31 -6.007 5.744 -4.540
196 HE2 TYR 31 2HE TYR 31 -8.604 3.313 -2.131
197 HH TYR 31 HH TYR 31 -7.503 3.291 -4.962
198 H ALA 32 H ALA 32 -5.440 4.450 2.995
199 HA ALA 32 HA ALA 32 -6.598 1.754 2.354
200 1HB ALA 32 1HB ALA 32 -6.359 2.018 5.124
201 2HB ALA 32 2HB ALA 32 -4.931 2.840 4.497
202 3HB ALA 32 3HB ALA 32 -5.239 1.158 4.067
203 H ARG 33 H ARG 33 -8.804 1.729 2.345
204 HA ARG 33 HA ARG 33 -10.279 3.890 3.806
205 1HB ARG 33 2HB ARG 33 -10.422 2.671 1.183
206 2HB ARG 33 1HB ARG 33 -11.966 2.490 2.017
207 1HG ARG 33 2HG ARG 33 -10.610 5.152 2.141
208 2HG ARG 33 1HG ARG 33 -11.403 4.696 0.634
209 1HD ARG 33 2HD ARG 33 -13.139 4.025 2.839
210 2HD ARG 33 1HD ARG 33 -12.644 5.723 2.975
211 HE ARG 33 HE ARG 33 -13.235 5.745 0.401
212 1HH1 ARG 33 1HH2 ARG 33 -14.473 3.072 0.307
213 2HH1 ARG 33 2HH2 ARG 33 -16.140 3.398 0.644
214 1HH2 ARG 33 1HH1 ARG 33 -15.531 6.558 1.956
215 2HH2 ARG 33 2HH1 ARG 33 -16.740 5.377 1.580
216 HA PRO 34 HA PRO 34 -11.545 0.546 6.492
217 1HB PRO 34 2HB PRO 34 -13.185 2.045 8.090
218 2HB PRO 34 1HB PRO 34 -11.415 2.057 8.233
219 1HG PRO 34 2HG PRO 34 -13.220 4.024 6.914
220 2HG PRO 34 1HG PRO 34 -11.759 4.299 7.877
221 1HD PRO 34 2HD PRO 34 -11.808 4.406 5.153
222 2HD PRO 34 1HD PRO 34 -10.364 3.970 6.093
Start of MODEL 10
1 1H GLY 1 1HT GLY 1 11.642 3.932 7.603
2 2H GLY 1 2HT GLY 1 10.204 3.055 7.371
3 3H GLY 1 3HT GLY 1 10.152 4.621 8.032
4 1HA GLY 1 2HA GLY 1 10.988 5.543 5.950
5 2HA GLY 1 1HA GLY 1 10.982 3.917 5.269
6 H CYS 2 H CYS 2 9.168 6.711 5.550
7 HA CYS 2 HA CYS 2 6.493 5.529 5.672
8 1HB CYS 2 2HB CYS 2 6.727 7.749 6.476
9 2HB CYS 2 1HB CYS 2 7.691 8.240 5.084
10 H GLY 3 H GLY 3 5.258 4.859 3.932
11 1HA GLY 3 2HA GLY 3 6.533 4.758 1.278
12 2HA GLY 3 1HA GLY 3 5.014 3.981 1.731
13 H GLY 4 H GLY 4 3.355 4.825 0.579
14 1HA GLY 4 2HA GLY 4 2.474 7.488 0.733
15 2HA GLY 4 1HA GLY 4 3.475 7.397 -0.717
16 H LEU 5 H LEU 5 2.015 7.379 -2.382
17 HA LEU 5 HA LEU 5 -0.412 5.665 -2.175
18 1HB LEU 5 2HB LEU 5 0.312 8.202 -3.323
19 2HB LEU 5 1HB LEU 5 -0.309 7.146 -4.594
20 HG LEU 5 HG LEU 5 -1.720 7.426 -1.943
21 1HD1 LEU 5 1HD1 LEU 5 -1.631 9.284 -4.262
22 2HD1 LEU 5 2HD1 LEU 5 -1.976 9.615 -2.564
23 3HD1 LEU 5 3HD1 LEU 5 -3.228 8.931 -3.600
24 1HD2 LEU 5 1HD2 LEU 5 -2.582 6.580 -4.729
25 2HD2 LEU 5 2HD2 LEU 5 -3.647 6.671 -3.326
26 3HD2 LEU 5 3HD2 LEU 5 -2.321 5.509 -3.353
27 H MET 6 H MET 6 2.736 5.467 -3.450
28 HA MET 6 HA MET 6 1.957 3.126 -5.092
29 1HB MET 6 2HB MET 6 2.025 5.434 -6.366
30 2HB MET 6 1HB MET 6 3.773 5.204 -6.290
31 1HG MET 6 2HG MET 6 3.706 3.260 -7.596
32 2HG MET 6 1HG MET 6 2.006 2.959 -7.234
33 1HE MET 6 1HE MET 6 0.084 5.273 -8.219
34 2HE MET 6 2HE MET 6 0.257 3.520 -8.224
35 3HE MET 6 3HE MET 6 0.014 4.378 -9.744
36 H ALA 7 H ALA 7 3.459 3.554 -2.561
37 HA ALA 7 HA ALA 7 6.307 3.265 -3.089
38 1HB ALA 7 1HB ALA 7 6.356 2.758 -0.672
39 2HB ALA 7 2HB ALA 7 4.604 2.558 -0.672
40 3HB ALA 7 3HB ALA 7 5.310 4.142 -0.986
41 H GLY 8 H GLY 8 7.451 1.357 -3.429
42 1HA GLY 8 2HA GLY 8 6.135 -0.997 -4.309
43 2HA GLY 8 1HA GLY 8 7.835 -0.922 -3.845
44 H CYS 9 H CYS 9 5.010 -2.448 -3.130
45 HA CYS 9 HA CYS 9 5.442 -2.630 -0.197
46 1HB CYS 9 2HB CYS 9 3.175 -2.322 -0.884
47 2HB CYS 9 1HB CYS 9 3.322 -3.526 -2.163
48 H ASP 10 H ASP 10 4.507 -5.191 -2.490
49 HA ASP 10 HA ASP 10 5.262 -7.413 -2.717
50 1HB ASP 10 2HB ASP 10 7.698 -5.669 -2.460
51 2HB ASP 10 1HB ASP 10 7.894 -7.415 -2.602
52 H GLY 11 H GLY 11 4.151 -7.788 -0.516
53 1HA GLY 11 2HA GLY 11 5.165 -9.607 1.105
54 2HA GLY 11 1HA GLY 11 6.080 -8.217 1.697
55 H LYS 12 H LYS 12 3.400 -9.998 2.322
56 HA LYS 12 HA LYS 12 1.340 -8.094 2.868
57 1HB LYS 12 2HB LYS 12 2.104 -10.814 3.937
58 2HB LYS 12 1HB LYS 12 0.643 -9.986 4.476
59 1HG LYS 12 2HG LYS 12 -0.448 -10.400 2.531
60 2HG LYS 12 1HG LYS 12 0.963 -9.989 1.555
61 1HD LYS 12 2HD LYS 12 1.027 -12.540 3.120
62 2HD LYS 12 1HD LYS 12 0.045 -12.487 1.656
63 1HE LYS 12 2HE LYS 12 1.972 -12.937 0.526
64 2HE LYS 12 1HE LYS 12 2.453 -11.270 0.896
65 1HZ LYS 12 1HZ LYS 12 2.900 -13.643 2.634
66 2HZ LYS 12 2HZ LYS 12 3.305 -12.043 3.039
67 3HZ LYS 12 3HZ LYS 12 4.093 -12.821 1.751
68 H SER 13 H SER 13 4.369 -8.609 4.464
69 HA SER 13 HA SER 13 3.398 -7.295 6.973
70 1HB SER 13 2HB SER 13 4.709 -9.536 6.847
71 2HB SER 13 1HB SER 13 6.109 -8.533 6.472
72 HG SER 13 HG SER 13 6.215 -8.336 8.568
73 H THR 14 H THR 14 3.997 -5.918 4.313
74 HA THR 14 HA THR 14 6.495 -4.482 4.561
75 HB THR 14 HB THR 14 5.094 -4.866 2.487
76 HG1 THR 14 1HG THR 14 6.526 -3.335 2.123
77 1HG2 THR 14 1HG2 THR 14 2.878 -4.427 3.186
78 2HG2 THR 14 2HG2 THR 14 3.293 -3.042 2.174
79 3HG2 THR 14 3HG2 THR 14 3.325 -2.893 3.931
80 H PHE 15 H PHE 15 6.195 -1.876 4.542
81 HA PHE 15 HA PHE 15 4.404 -1.098 6.810
82 1HB PHE 15 2HB PHE 15 6.392 0.189 7.711
83 2HB PHE 15 1HB PHE 15 6.573 -1.560 7.772
84 HD1 PHE 15 1HD PHE 15 7.687 1.546 6.130
85 HD2 PHE 15 2HD PHE 15 8.131 -2.725 6.274
86 HE1 PHE 15 1HE PHE 15 9.766 1.715 4.787
87 HE2 PHE 15 2HE PHE 15 10.208 -2.553 4.930
88 HZ PHE 15 HZ PHE 15 11.025 -0.335 4.186
89 H CYS 16 H CYS 16 3.671 1.052 6.727
90 HA CYS 16 HA CYS 16 4.536 2.691 4.369
91 1HB CYS 16 2HB CYS 16 2.174 1.287 4.586
92 2HB CYS 16 1HB CYS 16 1.706 2.878 5.185
93 H CYS 17 H CYS 17 2.716 4.840 4.974
94 HA CYS 17 HA CYS 17 4.186 6.142 7.144
95 1HB CYS 17 2HB CYS 17 2.781 6.867 4.822
96 2HB CYS 17 1HB CYS 17 1.835 7.537 6.150
97 H SER 18 H SER 18 0.660 5.902 6.615
98 HA SER 18 HA SER 18 0.123 4.785 9.251
99 1HB SER 18 2HB SER 18 -1.023 6.945 10.025
100 2HB SER 18 1HB SER 18 0.739 6.973 10.007
101 HG SER 18 HG SER 18 -1.068 8.412 8.542
102 H GLY 19 H GLY 19 -1.251 6.898 6.721
103 1HA GLY 19 2HA GLY 19 -3.804 5.369 6.872
104 2HA GLY 19 1HA GLY 19 -3.616 6.961 6.136
105 H TYR 20 H TYR 20 -1.225 4.481 5.488
106 HA TYR 20 HA TYR 20 -2.381 4.149 2.737
107 1HB TYR 20 2HB TYR 20 0.459 4.524 3.726
108 2HB TYR 20 1HB TYR 20 0.099 3.933 2.105
109 HD1 TYR 20 1HD TYR 20 -1.744 5.369 0.802
110 HD2 TYR 20 2HD TYR 20 0.709 6.836 4.010
111 HE1 TYR 20 1HE TYR 20 -2.129 7.692 0.032
112 HE2 TYR 20 2HE TYR 20 0.324 9.162 3.236
113 HH TYR 20 HH TYR 20 -1.966 10.179 1.570
114 H ASN 21 H ASN 21 -2.743 2.031 2.178
115 HA ASN 21 HA ASN 21 -1.482 -0.122 3.853
116 1HB ASN 21 2HB ASN 21 -4.100 0.515 3.644
117 2HB ASN 21 1HB ASN 21 -3.967 -0.582 2.270
118 1HD2 ASN 21 1HD2 ASN 21 -4.253 -2.757 2.793
119 2HD2 ASN 21 2HD2 ASN 21 -3.995 -3.430 4.328
120 H CYS 22 H CYS 22 -1.112 -2.190 2.638
121 HA CYS 22 HA CYS 22 0.017 -1.644 -0.044
122 1HB CYS 22 2HB CYS 22 1.372 -2.850 1.521
123 2HB CYS 22 1HB CYS 22 0.051 -3.943 1.927
124 H SER 23 H SER 23 -0.851 -2.425 -1.963
125 HA SER 23 HA SER 23 -3.512 -3.741 -1.838
126 1HB SER 23 2HB SER 23 -2.692 -1.692 -3.299
127 2HB SER 23 1HB SER 23 -2.074 -2.955 -4.359
128 HG SER 23 HG SER 23 -4.057 -3.513 -4.854
129 HA PRO 24 HA PRO 24 -1.753 -7.686 -2.777
130 1HB PRO 24 2HB PRO 24 -4.011 -8.946 -3.668
131 2HB PRO 24 1HB PRO 24 -3.708 -8.599 -1.955
132 1HG PRO 24 2HG PRO 24 -5.447 -7.171 -3.897
133 2HG PRO 24 1HG PRO 24 -5.701 -7.493 -2.176
134 1HD PRO 24 2HD PRO 24 -4.881 -5.081 -3.179
135 2HD PRO 24 1HD PRO 24 -4.541 -5.640 -1.528
136 H THR 25 H THR 25 -3.428 -5.780 -5.216
137 HA THR 25 HA THR 25 -2.286 -7.502 -7.384
138 HB THR 25 HB THR 25 -4.469 -5.396 -7.423
139 HG1 THR 25 1HG THR 25 -4.671 -8.221 -7.542
140 1HG2 THR 25 1HG2 THR 25 -3.378 -7.299 -9.494
141 2HG2 THR 25 2HG2 THR 25 -3.607 -5.555 -9.625
142 3HG2 THR 25 3HG2 THR 25 -5.005 -6.630 -9.617
143 H TRP 26 H TRP 26 -2.540 -4.121 -6.291
144 HA TRP 26 HA TRP 26 -1.018 -3.008 -8.500
145 1HB TRP 26 2HB TRP 26 -1.545 -1.929 -5.714
146 2HB TRP 26 1HB TRP 26 -1.072 -0.986 -7.119
147 HD1 TRP 26 HD TRP 26 -3.109 -2.929 -8.989
148 HE1 TRP 26 1HE TRP 26 -5.592 -2.272 -8.994
149 HE3 TRP 26 3HE TRP 26 -3.272 -0.031 -4.784
150 HZ2 TRP 26 2HZ TRP 26 -7.415 -0.707 -7.441
151 HZ3 TRP 26 3HZ TRP 26 -5.396 1.031 -4.074
152 HH2 TRP 26 HH TRP 26 -7.466 0.697 -5.396
153 H LYS 27 H LYS 27 -0.130 -4.583 -5.525
154 HA LYS 27 HA LYS 27 1.970 -5.164 -4.659
155 1HB LYS 27 2HB LYS 27 2.360 -4.555 -7.516
156 2HB LYS 27 1HB LYS 27 3.828 -4.417 -6.550
157 1HG LYS 27 2HG LYS 27 1.990 -6.810 -6.364
158 2HG LYS 27 1HG LYS 27 3.327 -6.733 -7.512
159 1HD LYS 27 2HD LYS 27 4.900 -7.015 -5.895
160 2HD LYS 27 1HD LYS 27 4.049 -5.972 -4.755
161 1HE LYS 27 2HE LYS 27 3.615 -7.945 -3.665
162 2HE LYS 27 1HE LYS 27 2.340 -8.121 -4.886
163 1HZ LYS 27 1HZ LYS 27 3.513 -10.020 -5.289
164 2HZ LYS 27 2HZ LYS 27 4.994 -9.362 -4.777
165 3HZ LYS 27 3HZ LYS 27 4.370 -8.970 -6.311
166 H TRP 28 H TRP 28 0.873 -2.156 -4.667
167 HA TRP 28 HA TRP 28 3.341 -1.134 -3.365
168 1HB TRP 28 2HB TRP 28 3.145 1.011 -4.546
169 2HB TRP 28 1HB TRP 28 3.355 -0.308 -5.685
170 HD1 TRP 28 HD TRP 28 0.221 1.325 -4.047
171 HE1 TRP 28 1HE TRP 28 -1.475 1.807 -5.929
172 HE3 TRP 28 3HE TRP 28 2.838 -0.397 -8.070
173 HZ2 TRP 28 2HZ TRP 28 -1.691 1.513 -8.757
174 HZ3 TRP 28 3HZ TRP 28 1.873 -0.278 -10.348
175 HH2 TRP 28 HH TRP 28 -0.390 0.673 -10.696
176 H CYS 29 H CYS 29 2.883 0.771 -1.959
177 HA CYS 29 HA CYS 29 0.523 0.314 -0.341
178 1HB CYS 29 2HB CYS 29 3.011 1.325 0.046
179 2HB CYS 29 1HB CYS 29 2.093 2.824 -0.074
180 H VAL 30 H VAL 30 -1.384 1.459 -0.294
181 HA VAL 30 HA VAL 30 -1.686 3.886 -2.026
182 HB VAL 30 HB VAL 30 -3.977 2.856 -2.604
183 1HG1 VAL 30 1HG1 VAL 30 -1.882 1.050 -3.693
184 2HG1 VAL 30 2HG1 VAL 30 -1.644 2.783 -3.924
185 3HG1 VAL 30 3HG1 VAL 30 -3.102 2.002 -4.537
186 1HG2 VAL 30 1HG2 VAL 30 -2.654 0.243 -1.875
187 2HG2 VAL 30 2HG2 VAL 30 -4.352 0.554 -2.237
188 3HG2 VAL 30 3HG2 VAL 30 -3.661 1.103 -0.710
189 H TYR 31 H TYR 31 -4.114 4.739 -1.481
190 HA TYR 31 HA TYR 31 -4.129 5.616 1.227
191 1HB TYR 31 2HB TYR 31 -5.287 6.625 -0.766
192 2HB TYR 31 1HB TYR 31 -6.463 5.314 -0.696
193 HD1 TYR 31 1HD TYR 31 -8.488 5.994 0.220
194 HD2 TYR 31 2HD TYR 31 -4.826 7.535 1.862
195 HE1 TYR 31 1HE TYR 31 -9.779 7.235 1.936
196 HE2 TYR 31 2HE TYR 31 -6.117 8.775 3.576
197 HH TYR 31 HH TYR 31 -9.075 8.138 4.465
198 H ALA 32 H ALA 32 -5.510 4.971 3.008
199 HA ALA 32 HA ALA 32 -6.025 2.062 3.107
200 1HB ALA 32 1HB ALA 32 -4.914 2.963 4.995
201 2HB ALA 32 2HB ALA 32 -6.583 2.788 5.541
202 3HB ALA 32 3HB ALA 32 -5.977 4.371 5.052
203 H ARG 33 H ARG 33 -8.008 1.255 2.622
204 HA ARG 33 HA ARG 33 -10.459 2.678 3.467
205 1HB ARG 33 2HB ARG 33 -11.343 2.672 1.141
206 2HB ARG 33 1HB ARG 33 -9.885 3.652 1.278
207 1HG ARG 33 2HG ARG 33 -8.802 1.219 0.685
208 2HG ARG 33 1HG ARG 33 -10.328 1.120 -0.193
209 1HD ARG 33 2HD ARG 33 -9.674 2.681 -1.727
210 2HD ARG 33 1HD ARG 33 -8.915 3.706 -0.493
211 HE ARG 33 HE ARG 33 -6.882 2.632 -1.005
212 1HH1 ARG 33 1HH2 ARG 33 -8.639 1.401 -3.362
213 2HH1 ARG 33 2HH2 ARG 33 -8.088 -0.239 -3.274
214 1HH2 ARG 33 1HH1 ARG 33 -6.554 0.164 -0.181
215 2HH2 ARG 33 2HH1 ARG 33 -6.902 -0.942 -1.469
216 HA PRO 34 HA PRO 34 -11.626 -1.557 4.006
217 1HB PRO 34 2HB PRO 34 -14.319 -1.211 4.351
218 2HB PRO 34 1HB PRO 34 -13.122 -0.803 5.596
219 1HG PRO 34 2HG PRO 34 -14.549 0.980 3.689
220 2HG PRO 34 1HG PRO 34 -14.129 1.249 5.387
221 1HD PRO 34 2HD PRO 34 -12.736 2.321 3.301
222 2HD PRO 34 1HD PRO 34 -12.015 1.964 4.886
Start of MODEL 11
1 1H GLY 1 1HT GLY 1 10.487 6.316 6.480
2 2H GLY 1 2HT GLY 1 11.908 5.410 6.689
3 3H GLY 1 3HT GLY 1 10.634 5.263 7.803
4 1HA GLY 1 2HA GLY 1 10.746 4.299 5.006
5 2HA GLY 1 1HA GLY 1 10.483 3.355 6.473
6 H CYS 2 H CYS 2 9.021 5.882 4.441
7 HA CYS 2 HA CYS 2 6.322 5.005 5.429
8 1HB CYS 2 2HB CYS 2 6.697 7.200 6.234
9 2HB CYS 2 1HB CYS 2 7.526 7.692 4.759
10 H GLY 3 H GLY 3 4.682 4.821 3.809
11 1HA GLY 3 2HA GLY 3 5.653 4.233 1.119
12 2HA GLY 3 1HA GLY 3 3.983 4.088 1.672
13 H GLY 4 H GLY 4 3.203 5.173 -0.229
14 1HA GLY 4 2HA GLY 4 2.783 7.965 0.023
15 2HA GLY 4 1HA GLY 4 4.120 7.740 -1.103
16 H LEU 5 H LEU 5 1.148 5.825 -0.602
17 HA LEU 5 HA LEU 5 -0.649 5.350 -2.045
18 1HB LEU 5 2HB LEU 5 0.125 7.966 -2.570
19 2HB LEU 5 1HB LEU 5 0.101 7.214 -4.167
20 HG LEU 5 HG LEU 5 -2.180 6.512 -2.423
21 1HD1 LEU 5 1HD1 LEU 5 -3.318 8.618 -2.636
22 2HD1 LEU 5 2HD1 LEU 5 -2.026 9.281 -3.638
23 3HD1 LEU 5 3HD1 LEU 5 -1.739 8.957 -1.928
24 1HD2 LEU 5 1HD2 LEU 5 -3.141 6.127 -4.440
25 2HD2 LEU 5 2HD2 LEU 5 -1.521 6.330 -5.104
26 3HD2 LEU 5 3HD2 LEU 5 -2.638 7.694 -5.073
27 H MET 6 H MET 6 2.612 5.012 -2.973
28 HA MET 6 HA MET 6 1.883 2.943 -4.954
29 1HB MET 6 2HB MET 6 2.940 5.611 -5.562
30 2HB MET 6 1HB MET 6 3.943 4.321 -6.226
31 1HG MET 6 2HG MET 6 2.247 3.521 -7.596
32 2HG MET 6 1HG MET 6 0.970 4.144 -6.554
33 1HE MET 6 1HE MET 6 0.486 7.727 -7.379
34 2HE MET 6 2HE MET 6 1.376 7.079 -6.004
35 3HE MET 6 3HE MET 6 -0.060 6.242 -6.587
36 H ALA 7 H ALA 7 3.243 3.221 -2.223
37 HA ALA 7 HA ALA 7 6.066 2.782 -2.479
38 1HB ALA 7 1HB ALA 7 3.928 2.527 -0.453
39 2HB ALA 7 2HB ALA 7 5.540 3.224 -0.306
40 3HB ALA 7 3HB ALA 7 5.321 1.479 -0.183
41 H GLY 8 H GLY 8 6.946 1.108 -3.615
42 1HA GLY 8 2HA GLY 8 5.649 -1.258 -4.436
43 2HA GLY 8 1HA GLY 8 7.400 -1.085 -4.311
44 H CYS 9 H CYS 9 4.888 -2.913 -3.235
45 HA CYS 9 HA CYS 9 5.662 -3.270 -0.437
46 1HB CYS 9 2HB CYS 9 3.774 -4.558 -2.404
47 2HB CYS 9 1HB CYS 9 4.065 -5.310 -0.837
48 H ASP 10 H ASP 10 5.460 -5.766 -2.978
49 HA ASP 10 HA ASP 10 6.812 -7.658 -3.379
50 1HB ASP 10 2HB ASP 10 8.155 -5.412 -3.918
51 2HB ASP 10 1HB ASP 10 9.171 -5.980 -2.594
52 H GLY 11 H GLY 11 5.701 -7.983 -0.969
53 1HA GLY 11 2HA GLY 11 7.030 -9.783 0.520
54 2HA GLY 11 1HA GLY 11 7.757 -8.286 1.120
55 H LYS 12 H LYS 12 5.418 -10.428 1.857
56 HA LYS 12 HA LYS 12 3.083 -8.870 2.425
57 1HB LYS 12 2HB LYS 12 4.317 -11.359 3.625
58 2HB LYS 12 1HB LYS 12 2.715 -10.777 4.075
59 1HG LYS 12 2HG LYS 12 1.780 -11.486 2.133
60 2HG LYS 12 1HG LYS 12 3.153 -10.938 1.170
61 1HD LYS 12 2HD LYS 12 3.537 -13.311 2.956
62 2HD LYS 12 1HD LYS 12 2.637 -13.530 1.455
63 1HE LYS 12 2HE LYS 12 4.702 -13.808 0.509
64 2HE LYS 12 1HE LYS 12 4.812 -12.040 0.613
65 1HZ LYS 12 1HZ LYS 12 5.597 -13.923 2.780
66 2HZ LYS 12 2HZ LYS 12 5.762 -12.231 2.808
67 3HZ LYS 12 3HZ LYS 12 6.685 -13.159 1.727
68 H SER 13 H SER 13 6.191 -8.870 3.929
69 HA SER 13 HA SER 13 5.172 -7.842 6.515
70 1HB SER 13 2HB SER 13 7.534 -9.176 5.431
71 2HB SER 13 1HB SER 13 7.968 -7.819 6.467
72 HG SER 13 HG SER 13 6.750 -10.223 7.069
73 H THR 14 H THR 14 5.389 -6.371 3.660
74 HA THR 14 HA THR 14 7.199 -4.154 4.110
75 HB THR 14 HB THR 14 6.311 -5.030 1.902
76 HG1 THR 14 1HG THR 14 7.016 -3.134 1.386
77 1HG2 THR 14 1HG2 THR 14 4.108 -4.694 1.238
78 2HG2 THR 14 2HG2 THR 14 3.855 -3.374 2.379
79 3HG2 THR 14 3HG2 THR 14 3.889 -5.041 2.952
80 H PHE 15 H PHE 15 6.698 -2.040 4.856
81 HA PHE 15 HA PHE 15 4.003 -1.710 6.140
82 1HB PHE 15 2HB PHE 15 6.027 -2.222 7.623
83 2HB PHE 15 1HB PHE 15 6.644 -0.636 7.159
84 HD1 PHE 15 1HD PHE 15 3.534 -2.261 8.490
85 HD2 PHE 15 2HD PHE 15 6.025 1.239 8.411
86 HE1 PHE 15 1HE PHE 15 2.091 -1.195 10.202
87 HE2 PHE 15 2HE PHE 15 4.582 2.303 10.123
88 HZ PHE 15 HZ PHE 15 2.616 1.087 11.019
89 H CYS 16 H CYS 16 2.997 0.234 5.751
90 HA CYS 16 HA CYS 16 4.382 2.180 3.958
91 1HB CYS 16 2HB CYS 16 1.465 1.813 4.730
92 2HB CYS 16 1HB CYS 16 2.068 2.876 3.458
93 H CYS 17 H CYS 17 2.559 4.362 4.669
94 HA CYS 17 HA CYS 17 3.995 5.416 6.988
95 1HB CYS 17 2HB CYS 17 2.609 6.382 4.729
96 2HB CYS 17 1HB CYS 17 1.702 6.964 6.126
97 H SER 18 H SER 18 0.466 5.450 6.436
98 HA SER 18 HA SER 18 -0.129 3.998 8.902
99 1HB SER 18 2HB SER 18 0.323 6.875 8.887
100 2HB SER 18 1HB SER 18 -1.295 6.486 9.463
101 HG SER 18 HG SER 18 1.128 6.093 10.640
102 H GLY 19 H GLY 19 -1.365 6.391 6.562
103 1HA GLY 19 2HA GLY 19 -4.031 5.068 6.658
104 2HA GLY 19 1HA GLY 19 -3.716 6.670 5.989
105 H TYR 20 H TYR 20 -1.604 3.955 5.294
106 HA TYR 20 HA TYR 20 -2.675 3.883 2.487
107 1HB TYR 20 2HB TYR 20 0.142 3.900 3.610
108 2HB TYR 20 1HB TYR 20 -0.200 3.400 1.956
109 HD1 TYR 20 1HD TYR 20 0.966 6.064 3.722
110 HD2 TYR 20 2HD TYR 20 -2.122 5.159 0.879
111 HE1 TYR 20 1HE TYR 20 0.927 8.438 3.009
112 HE2 TYR 20 2HE TYR 20 -2.164 7.532 0.167
113 HH TYR 20 HH TYR 20 -1.160 9.955 1.784
114 H ASN 21 H ASN 21 -3.193 1.826 1.787
115 HA ASN 21 HA ASN 21 -2.327 -0.498 3.475
116 1HB ASN 21 2HB ASN 21 -4.779 0.103 3.230
117 2HB ASN 21 1HB ASN 21 -4.634 -0.275 1.514
118 1HD2 ASN 21 1HD2 ASN 21 -5.070 -2.426 0.977
119 2HD2 ASN 21 2HD2 ASN 21 -5.003 -3.730 2.061
120 H CYS 22 H CYS 22 -1.502 -2.381 2.378
121 HA CYS 22 HA CYS 22 -0.216 -1.792 -0.215
122 1HB CYS 22 2HB CYS 22 1.066 -2.809 1.592
123 2HB CYS 22 1HB CYS 22 -0.096 -4.129 1.714
124 H SER 23 H SER 23 -0.819 -2.667 -2.157
125 HA SER 23 HA SER 23 -3.213 -4.456 -2.200
126 1HB SER 23 2HB SER 23 -2.080 -2.278 -3.850
127 2HB SER 23 1HB SER 23 -2.736 -3.624 -4.777
128 HG SER 23 HG SER 23 -4.634 -2.885 -4.296
129 HA PRO 24 HA PRO 24 -0.387 -7.694 -3.350
130 1HB PRO 24 2HB PRO 24 -2.261 -9.602 -3.914
131 2HB PRO 24 1HB PRO 24 -1.813 -9.143 -2.259
132 1HG PRO 24 2HG PRO 24 -4.181 -8.339 -3.870
133 2HG PRO 24 1HG PRO 24 -4.064 -8.711 -2.144
134 1HD PRO 24 2HD PRO 24 -4.178 -6.171 -3.142
135 2HD PRO 24 1HD PRO 24 -3.405 -6.593 -1.599
136 H THR 25 H THR 25 -3.104 -6.713 -5.408
137 HA THR 25 HA THR 25 -2.064 -8.067 -7.791
138 HB THR 25 HB THR 25 -4.213 -5.952 -7.435
139 HG1 THR 25 1HG THR 25 -5.247 -7.511 -6.518
140 1HG2 THR 25 1HG2 THR 25 -5.075 -7.290 -9.526
141 2HG2 THR 25 2HG2 THR 25 -3.379 -7.741 -9.699
142 3HG2 THR 25 3HG2 THR 25 -3.847 -6.041 -9.735
143 H TRP 26 H TRP 26 -1.944 -4.805 -6.424
144 HA TRP 26 HA TRP 26 -0.651 -3.706 -8.855
145 1HB TRP 26 2HB TRP 26 -1.336 -2.500 -6.154
146 2HB TRP 26 1HB TRP 26 -0.807 -1.600 -7.570
147 HD1 TRP 26 HD TRP 26 -2.677 -3.692 -9.465
148 HE1 TRP 26 1HE TRP 26 -5.173 -3.090 -9.651
149 HE3 TRP 26 3HE TRP 26 -3.150 -0.620 -5.413
150 HZ2 TRP 26 2HZ TRP 26 -7.116 -1.512 -8.269
151 HZ3 TRP 26 3HZ TRP 26 -5.334 0.419 -4.872
152 HH2 TRP 26 HH TRP 26 -7.316 -0.024 -6.295
153 H LYS 27 H LYS 27 0.270 -5.092 -5.812
154 HA LYS 27 HA LYS 27 2.385 -5.546 -4.901
155 1HB LYS 27 2HB LYS 27 2.780 -5.780 -7.470
156 2HB LYS 27 1HB LYS 27 3.608 -4.230 -7.318
157 1HG LYS 27 2HG LYS 27 5.362 -5.724 -6.963
158 2HG LYS 27 1HG LYS 27 4.837 -5.401 -5.310
159 1HD LYS 27 2HD LYS 27 3.636 -7.451 -5.177
160 2HD LYS 27 1HD LYS 27 3.720 -7.702 -6.921
161 1HE LYS 27 2HE LYS 27 6.272 -7.508 -5.326
162 2HE LYS 27 1HE LYS 27 5.378 -9.039 -5.392
163 1HZ LYS 27 1HZ LYS 27 6.953 -8.865 -7.231
164 2HZ LYS 27 2HZ LYS 27 6.215 -7.426 -7.749
165 3HZ LYS 27 3HZ LYS 27 5.358 -8.892 -7.804
166 H TRP 28 H TRP 28 1.024 -2.673 -4.862
167 HA TRP 28 HA TRP 28 3.322 -1.449 -3.445
168 1HB TRP 28 2HB TRP 28 3.099 0.656 -4.657
169 2HB TRP 28 1HB TRP 28 3.379 -0.650 -5.798
170 HD1 TRP 28 HD TRP 28 0.118 0.776 -4.215
171 HE1 TRP 28 1HE TRP 28 -1.553 1.208 -6.131
172 HE3 TRP 28 3HE TRP 28 2.973 -0.592 -8.210
173 HZ2 TRP 28 2HZ TRP 28 -1.661 1.018 -8.978
174 HZ3 TRP 28 3HZ TRP 28 2.071 -0.448 -10.515
175 HH2 TRP 28 HH TRP 28 -0.242 0.355 -10.903
176 H CYS 29 H CYS 29 2.567 0.545 -2.194
177 HA CYS 29 HA CYS 29 0.091 -0.139 -0.770
178 1HB CYS 29 2HB CYS 29 2.497 0.785 -0.019
179 2HB CYS 29 1HB CYS 29 1.667 2.329 -0.211
180 H VAL 30 H VAL 30 -1.712 1.261 -0.540
181 HA VAL 30 HA VAL 30 -1.876 3.648 -2.332
182 HB VAL 30 HB VAL 30 -4.119 2.799 -3.078
183 1HG1 VAL 30 1HG1 VAL 30 -2.106 0.645 -3.659
184 2HG1 VAL 30 2HG1 VAL 30 -1.815 2.293 -4.214
185 3HG1 VAL 30 3HG1 VAL 30 -3.250 1.422 -4.752
186 1HG2 VAL 30 1HG2 VAL 30 -3.809 1.039 -0.924
187 2HG2 VAL 30 2HG2 VAL 30 -3.616 0.018 -2.348
188 3HG2 VAL 30 3HG2 VAL 30 -5.080 0.979 -2.143
189 H TYR 31 H TYR 31 -4.189 4.720 -1.803
190 HA TYR 31 HA TYR 31 -4.172 5.556 0.915
191 1HB TYR 31 2HB TYR 31 -6.299 6.618 0.336
192 2HB TYR 31 1HB TYR 31 -5.202 6.739 -1.036
193 HD1 TYR 31 1HD TYR 31 -5.628 5.547 -3.101
194 HD2 TYR 31 2HD TYR 31 -8.184 4.997 0.309
195 HE1 TYR 31 1HE TYR 31 -7.290 4.394 -4.533
196 HE2 TYR 31 2HE TYR 31 -9.845 3.841 -1.124
197 HH TYR 31 HH TYR 31 -10.163 4.067 -4.115
198 H ALA 32 H ALA 32 -5.585 5.018 2.684
199 HA ALA 32 HA ALA 32 -6.999 2.380 2.426
200 1HB ALA 32 1HB ALA 32 -4.740 2.368 3.578
201 2HB ALA 32 2HB ALA 32 -6.070 1.785 4.578
202 3HB ALA 32 3HB ALA 32 -5.439 3.414 4.813
203 H ARG 33 H ARG 33 -9.119 2.509 3.037
204 HA ARG 33 HA ARG 33 -9.955 4.335 5.207
205 1HB ARG 33 2HB ARG 33 -9.896 5.268 2.631
206 2HB ARG 33 1HB ARG 33 -11.541 4.638 2.727
207 1HG ARG 33 2HG ARG 33 -12.144 6.100 4.449
208 2HG ARG 33 1HG ARG 33 -10.473 6.351 4.953
209 1HD ARG 33 2HD ARG 33 -10.859 8.355 3.824
210 2HD ARG 33 1HD ARG 33 -10.269 7.362 2.477
211 HE ARG 33 HE ARG 33 -13.165 7.833 3.075
212 1HH1 ARG 33 1HH2 ARG 33 -11.778 9.091 0.693
213 2HH1 ARG 33 2HH2 ARG 33 -12.221 8.004 -0.582
214 1HH2 ARG 33 1HH1 ARG 33 -13.222 5.466 1.574
215 2HH2 ARG 33 2HH1 ARG 33 -13.042 5.946 -0.081
216 HA PRO 34 HA PRO 34 -12.616 0.812 5.700
217 1HB PRO 34 2HB PRO 34 -14.186 1.841 7.699
218 2HB PRO 34 1HB PRO 34 -12.539 1.233 7.972
219 1HG PRO 34 2HG PRO 34 -13.492 4.039 7.652
220 2HG PRO 34 1HG PRO 34 -12.281 3.379 8.763
221 1HD PRO 34 2HD PRO 34 -11.627 4.708 6.492
222 2HD PRO 34 1HD PRO 34 -10.614 3.421 7.185
Start of MODEL 12
1 1H GLY 1 1HT GLY 1 7.256 1.462 5.651
2 2H GLY 1 2HT GLY 1 8.757 0.731 5.334
3 3H GLY 1 3HT GLY 1 8.005 1.682 4.145
4 1HA GLY 1 2HA GLY 1 8.819 2.786 6.771
5 2HA GLY 1 1HA GLY 1 9.906 2.757 5.382
6 H CYS 2 H CYS 2 6.444 3.526 5.897
7 HA CYS 2 HA CYS 2 5.142 5.324 5.114
8 1HB CYS 2 2HB CYS 2 6.913 6.344 6.675
9 2HB CYS 2 1HB CYS 2 7.751 6.852 5.208
10 H GLY 3 H GLY 3 5.090 4.097 2.988
11 1HA GLY 3 2HA GLY 3 6.833 5.088 0.844
12 2HA GLY 3 1HA GLY 3 5.515 3.930 0.659
13 H GLY 4 H GLY 4 3.294 4.803 0.664
14 1HA GLY 4 2HA GLY 4 2.296 7.310 0.787
15 2HA GLY 4 1HA GLY 4 3.183 7.398 -0.737
16 H LEU 5 H LEU 5 1.619 7.329 -2.306
17 HA LEU 5 HA LEU 5 -0.582 5.325 -2.040
18 1HB LEU 5 2HB LEU 5 -0.500 8.026 -2.683
19 2HB LEU 5 1HB LEU 5 -0.703 7.239 -4.250
20 HG LEU 5 HG LEU 5 -2.372 6.167 -2.045
21 1HD1 LEU 5 1HD1 LEU 5 -2.409 8.654 -1.686
22 2HD1 LEU 5 2HD1 LEU 5 -3.977 7.981 -2.129
23 3HD1 LEU 5 3HD1 LEU 5 -3.011 8.836 -3.332
24 1HD2 LEU 5 1HD2 LEU 5 -2.729 6.870 -4.969
25 2HD2 LEU 5 2HD2 LEU 5 -4.056 6.294 -3.959
26 3HD2 LEU 5 3HD2 LEU 5 -2.656 5.262 -4.247
27 H MET 6 H MET 6 2.414 5.653 -3.571
28 HA MET 6 HA MET 6 1.757 3.460 -5.455
29 1HB MET 6 2HB MET 6 1.430 5.796 -6.507
30 2HB MET 6 1HB MET 6 3.183 5.958 -6.395
31 1HG MET 6 2HG MET 6 3.579 4.311 -7.971
32 2HG MET 6 1HG MET 6 2.074 3.463 -7.616
33 1HE MET 6 1HE MET 6 0.412 3.919 -10.596
34 2HE MET 6 2HE MET 6 -0.437 4.249 -9.088
35 3HE MET 6 3HE MET 6 0.856 3.053 -9.120
36 H ALA 7 H ALA 7 3.371 3.709 -2.992
37 HA ALA 7 HA ALA 7 6.195 3.842 -3.697
38 1HB ALA 7 1HB ALA 7 6.184 2.621 -1.326
39 2HB ALA 7 2HB ALA 7 4.488 3.101 -1.346
40 3HB ALA 7 3HB ALA 7 5.752 4.324 -1.467
41 H GLY 8 H GLY 8 7.352 1.609 -2.601
42 1HA GLY 8 2HA GLY 8 6.330 -0.597 -4.350
43 2HA GLY 8 1HA GLY 8 8.041 -0.340 -4.012
44 H CYS 9 H CYS 9 4.996 -1.475 -2.679
45 HA CYS 9 HA CYS 9 6.371 -2.420 -0.208
46 1HB CYS 9 2HB CYS 9 4.127 -2.628 0.652
47 2HB CYS 9 1HB CYS 9 4.202 -1.099 -0.220
48 H ASP 10 H ASP 10 7.310 -3.839 -2.331
49 HA ASP 10 HA ASP 10 5.723 -6.159 -3.050
50 1HB ASP 10 2HB ASP 10 7.549 -5.239 -4.427
51 2HB ASP 10 1HB ASP 10 8.709 -5.592 -3.144
52 H GLY 11 H GLY 11 5.046 -7.328 -1.228
53 1HA GLY 11 2HA GLY 11 6.375 -9.378 -0.092
54 2HA GLY 11 1HA GLY 11 6.992 -8.035 0.872
55 H LYS 12 H LYS 12 4.807 -10.393 1.037
56 HA LYS 12 HA LYS 12 2.341 -9.142 1.796
57 1HB LYS 12 2HB LYS 12 2.039 -11.379 3.009
58 2HB LYS 12 1HB LYS 12 2.394 -11.477 1.286
59 1HG LYS 12 2HG LYS 12 4.272 -12.650 1.694
60 2HG LYS 12 1HG LYS 12 4.866 -11.388 2.771
61 1HD LYS 12 2HD LYS 12 3.719 -12.342 4.657
62 2HD LYS 12 1HD LYS 12 2.843 -13.472 3.625
63 1HE LYS 12 2HE LYS 12 4.813 -14.517 4.826
64 2HE LYS 12 1HE LYS 12 4.926 -14.637 3.060
65 1HZ LYS 12 1HZ LYS 12 6.030 -12.303 4.503
66 2HZ LYS 12 2HZ LYS 12 6.420 -12.873 2.951
67 3HZ LYS 12 3HZ LYS 12 6.944 -13.719 4.326
68 H SER 13 H SER 13 5.385 -9.224 3.423
69 HA SER 13 HA SER 13 4.093 -8.599 6.052
70 1HB SER 13 2HB SER 13 5.804 -10.503 5.671
71 2HB SER 13 1HB SER 13 7.003 -9.224 5.511
72 HG SER 13 HG SER 13 5.546 -10.074 7.731
73 H THR 14 H THR 14 4.422 -6.683 3.741
74 HA THR 14 HA THR 14 6.493 -4.796 4.751
75 HB THR 14 HB THR 14 6.167 -5.450 2.300
76 HG1 THR 14 1HG THR 14 6.825 -3.495 1.729
77 1HG2 THR 14 1HG2 THR 14 3.890 -3.494 2.286
78 2HG2 THR 14 2HG2 THR 14 3.571 -5.190 2.642
79 3HG2 THR 14 3HG2 THR 14 4.299 -4.736 1.103
80 H PHE 15 H PHE 15 5.774 -2.421 4.833
81 HA PHE 15 HA PHE 15 2.920 -2.006 5.529
82 1HB PHE 15 2HB PHE 15 3.360 -1.395 7.778
83 2HB PHE 15 1HB PHE 15 4.347 -2.833 7.531
84 HD1 PHE 15 1HD PHE 15 4.341 0.641 8.440
85 HD2 PHE 15 2HD PHE 15 6.821 -2.493 6.862
86 HE1 PHE 15 1HE PHE 15 6.366 1.939 9.043
87 HE2 PHE 15 2HE PHE 15 8.845 -1.194 7.466
88 HZ PHE 15 HZ PHE 15 8.617 1.022 8.556
89 H CYS 16 H CYS 16 2.283 0.175 5.279
90 HA CYS 16 HA CYS 16 4.191 1.898 3.808
91 1HB CYS 16 2HB CYS 16 1.270 2.356 4.493
92 2HB CYS 16 1HB CYS 16 2.187 3.096 3.183
93 H CYS 17 H CYS 17 2.613 4.333 4.779
94 HA CYS 17 HA CYS 17 4.369 4.978 7.036
95 1HB CYS 17 2HB CYS 17 3.421 6.383 4.974
96 2HB CYS 17 1HB CYS 17 2.128 6.736 6.120
97 H SER 18 H SER 18 0.830 5.357 6.668
98 HA SER 18 HA SER 18 0.270 3.991 9.192
99 1HB SER 18 2HB SER 18 1.232 6.156 9.921
100 2HB SER 18 1HB SER 18 0.017 7.009 8.972
101 HG SER 18 HG SER 18 -1.472 6.502 10.409
102 H GLY 19 H GLY 19 -1.001 6.458 6.933
103 1HA GLY 19 2HA GLY 19 -3.698 5.226 7.139
104 2HA GLY 19 1HA GLY 19 -3.342 6.793 6.414
105 H TYR 20 H TYR 20 -1.294 4.076 5.624
106 HA TYR 20 HA TYR 20 -2.681 3.771 2.983
107 1HB TYR 20 2HB TYR 20 0.276 4.150 3.577
108 2HB TYR 20 1HB TYR 20 -0.374 3.750 1.987
109 HD1 TYR 20 1HD TYR 20 0.030 6.370 4.519
110 HD2 TYR 20 2HD TYR 20 -1.782 5.371 0.754
111 HE1 TYR 20 1HE TYR 20 -0.412 8.773 4.094
112 HE2 TYR 20 2HE TYR 20 -2.224 7.773 0.330
113 HH TYR 20 HH TYR 20 -2.409 10.001 2.397
114 H ASN 21 H ASN 21 -2.614 1.655 2.140
115 HA ASN 21 HA ASN 21 -1.299 -0.432 3.860
116 1HB ASN 21 2HB ASN 21 -4.015 -0.159 2.619
117 2HB ASN 21 1HB ASN 21 -3.332 -1.780 2.772
118 1HD2 ASN 21 1HD2 ASN 21 -2.757 -2.514 5.005
119 2HD2 ASN 21 2HD2 ASN 21 -3.525 -1.810 6.345
120 H CYS 22 H CYS 22 -0.554 -2.357 2.635
121 HA CYS 22 HA CYS 22 0.435 -1.613 -0.051
122 1HB CYS 22 2HB CYS 22 1.963 -2.629 1.528
123 2HB CYS 22 1HB CYS 22 0.858 -3.974 1.803
124 H SER 23 H SER 23 -0.213 -2.590 -1.962
125 HA SER 23 HA SER 23 -2.597 -4.392 -1.808
126 1HB SER 23 2HB SER 23 -1.769 -2.094 -3.390
127 2HB SER 23 1HB SER 23 -2.212 -3.446 -4.427
128 HG SER 23 HG SER 23 -3.802 -1.806 -3.080
129 HA PRO 24 HA PRO 24 0.098 -7.585 -3.321
130 1HB PRO 24 2HB PRO 24 -1.827 -9.462 -3.820
131 2HB PRO 24 1HB PRO 24 -1.256 -9.071 -2.186
132 1HG PRO 24 2HG PRO 24 -3.734 -8.208 -3.581
133 2HG PRO 24 1HG PRO 24 -3.483 -8.630 -1.881
134 1HD PRO 24 2HD PRO 24 -3.664 -6.062 -2.811
135 2HD PRO 24 1HD PRO 24 -2.804 -6.525 -1.327
136 H THR 25 H THR 25 -2.729 -6.449 -5.122
137 HA THR 25 HA THR 25 -1.839 -7.685 -7.648
138 HB THR 25 HB THR 25 -4.115 -5.881 -6.789
139 HG1 THR 25 1HG THR 25 -5.194 -7.698 -6.712
140 1HG2 THR 25 1HG2 THR 25 -5.012 -6.537 -9.138
141 2HG2 THR 25 2HG2 THR 25 -3.320 -6.844 -9.532
142 3HG2 THR 25 3HG2 THR 25 -3.832 -5.231 -9.034
143 H TRP 26 H TRP 26 -1.951 -4.453 -6.181
144 HA TRP 26 HA TRP 26 -0.817 -3.185 -8.601
145 1HB TRP 26 2HB TRP 26 -1.468 -2.070 -5.854
146 2HB TRP 26 1HB TRP 26 -1.192 -1.139 -7.323
147 HD1 TRP 26 HD TRP 26 -3.828 -3.057 -5.471
148 HE1 TRP 26 1HE TRP 26 -6.044 -2.985 -6.780
149 HE3 TRP 26 3HE TRP 26 -2.187 -1.063 -9.875
150 HZ2 TRP 26 2HZ TRP 26 -6.998 -2.186 -9.354
151 HZ3 TRP 26 3HZ TRP 26 -3.769 -0.657 -11.737
152 HH2 TRP 26 HH TRP 26 -6.171 -1.216 -11.484
153 H LYS 27 H LYS 27 0.354 -4.624 -5.695
154 HA LYS 27 HA LYS 27 2.501 -4.842 -4.793
155 1HB LYS 27 2HB LYS 27 2.979 -3.956 -7.630
156 2HB LYS 27 1HB LYS 27 4.338 -4.224 -6.540
157 1HG LYS 27 2HG LYS 27 2.168 -6.295 -6.887
158 2HG LYS 27 1HG LYS 27 3.560 -6.229 -7.967
159 1HD LYS 27 2HD LYS 27 5.091 -6.658 -6.206
160 2HD LYS 27 1HD LYS 27 3.894 -6.288 -4.966
161 1HE LYS 27 2HE LYS 27 3.204 -8.502 -6.843
162 2HE LYS 27 1HE LYS 27 4.481 -8.828 -5.655
163 1HZ LYS 27 1HZ LYS 27 3.071 -8.151 -3.889
164 2HZ LYS 27 2HZ LYS 27 2.164 -9.233 -4.834
165 3HZ LYS 27 3HZ LYS 27 1.887 -7.560 -4.953
166 H TRP 28 H TRP 28 1.051 -1.966 -4.891
167 HA TRP 28 HA TRP 28 3.437 -0.606 -3.715
168 1HB TRP 28 2HB TRP 28 2.844 1.463 -4.874
169 2HB TRP 28 1HB TRP 28 3.099 0.176 -6.038
170 HD1 TRP 28 HD TRP 28 -0.063 1.314 -4.061
171 HE1 TRP 28 1HE TRP 28 -1.974 1.611 -5.762
172 HE3 TRP 28 3HE TRP 28 2.404 0.170 -8.380
173 HZ2 TRP 28 2HZ TRP 28 -2.405 1.398 -8.576
174 HZ3 TRP 28 3HZ TRP 28 1.222 0.230 -10.557
175 HH2 TRP 28 HH TRP 28 -1.178 0.843 -10.660
176 H CYS 29 H CYS 29 2.852 1.116 -2.173
177 HA CYS 29 HA CYS 29 0.705 0.356 -0.412
178 1HB CYS 29 2HB CYS 29 2.681 2.602 -0.664
179 2HB CYS 29 1HB CYS 29 1.363 2.764 0.495
180 H VAL 30 H VAL 30 -1.408 1.024 -0.401
181 HA VAL 30 HA VAL 30 -2.211 3.236 -2.269
182 HB VAL 30 HB VAL 30 -4.393 1.969 -2.348
183 1HG1 VAL 30 1HG1 VAL 30 -3.502 0.088 -3.725
184 2HG1 VAL 30 2HG1 VAL 30 -1.883 0.466 -3.138
185 3HG1 VAL 30 3HG1 VAL 30 -2.763 1.639 -4.116
186 1HG2 VAL 30 1HG2 VAL 30 -4.679 -0.093 -1.289
187 2HG2 VAL 30 2HG2 VAL 30 -3.749 0.791 -0.079
188 3HG2 VAL 30 3HG2 VAL 30 -2.944 -0.370 -1.135
189 H TYR 31 H TYR 31 -4.556 4.048 -1.459
190 HA TYR 31 HA TYR 31 -4.134 5.194 1.193
191 1HB TYR 31 2HB TYR 31 -5.212 6.323 -0.781
192 2HB TYR 31 1HB TYR 31 -6.575 5.216 -0.615
193 HD1 TYR 31 1HD TYR 31 -4.498 7.486 1.547
194 HD2 TYR 31 2HD TYR 31 -8.404 5.955 0.621
195 HE1 TYR 31 1HE TYR 31 -5.485 8.954 3.283
196 HE2 TYR 31 2HE TYR 31 -9.390 7.424 2.358
197 HH TYR 31 HH TYR 31 -8.206 9.965 3.507
198 H ALA 32 H ALA 32 -5.207 4.638 3.110
199 HA ALA 32 HA ALA 32 -6.479 1.967 3.183
200 1HB ALA 32 1HB ALA 32 -6.195 2.262 5.604
201 2HB ALA 32 2HB ALA 32 -5.797 3.963 5.371
202 3HB ALA 32 3HB ALA 32 -4.704 2.712 4.779
203 H ARG 33 H ARG 33 -8.533 2.437 2.174
204 HA ARG 33 HA ARG 33 -10.260 4.579 3.156
205 1HB ARG 33 2HB ARG 33 -10.359 2.326 1.189
206 2HB ARG 33 1HB ARG 33 -11.890 3.031 1.707
207 1HG ARG 33 2HG ARG 33 -10.628 5.312 1.225
208 2HG ARG 33 1HG ARG 33 -9.649 4.291 0.171
209 1HD ARG 33 2HD ARG 33 -12.441 3.646 -0.210
210 2HD ARG 33 1HD ARG 33 -12.194 5.390 -0.417
211 HE ARG 33 HE ARG 33 -10.176 4.639 -1.898
212 1HH1 ARG 33 1HH2 ARG 33 -13.031 4.596 -3.085
213 2HH1 ARG 33 2HH2 ARG 33 -13.003 3.076 -3.915
214 1HH2 ARG 33 1HH1 ARG 33 -10.163 1.930 -2.277
215 2HH2 ARG 33 2HH1 ARG 33 -11.378 1.564 -3.456
216 HA PRO 34 HA PRO 34 -11.864 2.236 6.570
217 1HB PRO 34 2HB PRO 34 -13.973 3.872 7.174
218 2HB PRO 34 1HB PRO 34 -12.293 4.264 7.591
219 1HG PRO 34 2HG PRO 34 -13.972 5.269 5.352
220 2HG PRO 34 1HG PRO 34 -12.781 6.125 6.343
221 1HD PRO 34 2HD PRO 34 -12.286 5.229 3.809
222 2HD PRO 34 1HD PRO 34 -11.026 5.456 5.043
Start of MODEL 13
1 1H GLY 1 1HT GLY 1 8.946 5.970 9.102
2 2H GLY 1 2HT GLY 1 10.306 4.967 9.278
3 3H GLY 1 3HT GLY 1 8.747 4.294 9.266
4 1HA GLY 1 2HA GLY 1 10.150 5.590 6.993
5 2HA GLY 1 1HA GLY 1 9.742 3.882 7.148
6 H CYS 2 H CYS 2 8.852 6.240 5.300
7 HA CYS 2 HA CYS 2 5.920 5.623 5.474
8 1HB CYS 2 2HB CYS 2 7.439 8.202 5.203
9 2HB CYS 2 1HB CYS 2 5.837 8.074 4.477
10 H GLY 3 H GLY 3 5.154 4.757 3.576
11 1HA GLY 3 2HA GLY 3 6.900 4.617 1.226
12 2HA GLY 3 1HA GLY 3 5.308 3.870 1.382
13 H GLY 4 H GLY 4 3.429 5.163 0.944
14 1HA GLY 4 2HA GLY 4 2.911 7.730 0.490
15 2HA GLY 4 1HA GLY 4 3.997 7.444 -0.870
16 H LEU 5 H LEU 5 2.444 7.683 -2.505
17 HA LEU 5 HA LEU 5 0.026 5.945 -2.419
18 1HB LEU 5 2HB LEU 5 0.467 8.553 -3.136
19 2HB LEU 5 1HB LEU 5 0.503 7.750 -4.707
20 HG LEU 5 HG LEU 5 -1.671 6.963 -2.823
21 1HD1 LEU 5 1HD1 LEU 5 -2.441 9.239 -4.472
22 2HD1 LEU 5 2HD1 LEU 5 -1.196 9.674 -3.302
23 3HD1 LEU 5 3HD1 LEU 5 -2.712 8.962 -2.751
24 1HD2 LEU 5 1HD2 LEU 5 -1.015 6.801 -5.644
25 2HD2 LEU 5 2HD2 LEU 5 -2.605 7.528 -5.422
26 3HD2 LEU 5 3HD2 LEU 5 -2.261 5.937 -4.744
27 H MET 6 H MET 6 3.185 5.752 -3.597
28 HA MET 6 HA MET 6 2.438 3.545 -5.430
29 1HB MET 6 2HB MET 6 3.774 6.144 -6.175
30 2HB MET 6 1HB MET 6 4.125 4.678 -7.093
31 1HG MET 6 2HG MET 6 1.397 4.566 -6.954
32 2HG MET 6 1HG MET 6 1.662 6.309 -7.019
33 1HE MET 6 1HE MET 6 0.836 3.515 -8.464
34 2HE MET 6 2HE MET 6 1.754 3.102 -9.909
35 3HE MET 6 3HE MET 6 0.454 4.284 -10.009
36 H ALA 7 H ALA 7 3.682 3.502 -2.863
37 HA ALA 7 HA ALA 7 6.580 3.390 -3.050
38 1HB ALA 7 1HB ALA 7 4.654 3.460 -1.078
39 2HB ALA 7 2HB ALA 7 6.363 3.130 -0.797
40 3HB ALA 7 3HB ALA 7 5.225 1.795 -0.973
41 H GLY 8 H GLY 8 7.283 0.978 -1.914
42 1HA GLY 8 2HA GLY 8 6.498 -1.003 -4.020
43 2HA GLY 8 1HA GLY 8 8.116 -0.917 -3.324
44 H CYS 9 H CYS 9 5.154 -2.502 -3.110
45 HA CYS 9 HA CYS 9 5.192 -3.063 -0.233
46 1HB CYS 9 2HB CYS 9 3.684 -4.217 -2.603
47 2HB CYS 9 1HB CYS 9 3.366 -4.666 -0.928
48 H ASP 10 H ASP 10 5.143 -5.490 -2.835
49 HA ASP 10 HA ASP 10 6.268 -7.557 -3.029
50 1HB ASP 10 2HB ASP 10 7.971 -5.541 -3.330
51 2HB ASP 10 1HB ASP 10 8.653 -6.174 -1.833
52 H GLY 11 H GLY 11 4.801 -8.087 -0.995
53 1HA GLY 11 2HA GLY 11 5.647 -9.918 0.679
54 2HA GLY 11 1HA GLY 11 6.458 -8.538 1.428
55 H LYS 12 H LYS 12 3.761 -10.378 1.688
56 HA LYS 12 HA LYS 12 1.611 -8.527 2.032
57 1HB LYS 12 2HB LYS 12 2.283 -11.199 3.293
58 2HB LYS 12 1HB LYS 12 0.719 -10.409 3.472
59 1HG LYS 12 2HG LYS 12 0.094 -10.854 1.315
60 2HG LYS 12 1HG LYS 12 1.736 -10.675 0.695
61 1HD LYS 12 2HD LYS 12 1.133 -12.995 2.494
62 2HD LYS 12 1HD LYS 12 0.589 -13.065 0.819
63 1HE LYS 12 2HE LYS 12 2.704 -13.894 0.449
64 2HE LYS 12 1HE LYS 12 3.165 -12.182 0.482
65 1HZ LYS 12 1HZ LYS 12 2.945 -13.817 2.949
66 2HZ LYS 12 2HZ LYS 12 3.698 -12.304 2.759
67 3HZ LYS 12 3HZ LYS 12 4.394 -13.694 2.076
68 H SER 13 H SER 13 4.451 -9.052 3.952
69 HA SER 13 HA SER 13 3.229 -7.906 6.410
70 1HB SER 13 2HB SER 13 5.522 -9.574 5.652
71 2HB SER 13 1HB SER 13 5.932 -8.346 6.846
72 HG SER 13 HG SER 13 4.498 -10.614 7.127
73 H THR 14 H THR 14 4.274 -6.525 3.646
74 HA THR 14 HA THR 14 6.257 -4.616 4.560
75 HB THR 14 HB THR 14 5.777 -5.391 2.182
76 HG1 THR 14 1HG THR 14 5.583 -2.585 2.515
77 1HG2 THR 14 1HG2 THR 14 3.941 -4.393 0.975
78 2HG2 THR 14 2HG2 THR 14 3.486 -3.419 2.373
79 3HG2 THR 14 3HG2 THR 14 3.281 -5.169 2.414
80 H PHE 15 H PHE 15 5.851 -2.278 4.853
81 HA PHE 15 HA PHE 15 3.032 -1.578 5.580
82 1HB PHE 15 2HB PHE 15 5.408 -1.869 7.284
83 2HB PHE 15 1HB PHE 15 4.608 -0.309 7.479
84 HD1 PHE 15 1HD PHE 15 2.215 -0.193 8.144
85 HD2 PHE 15 2HD PHE 15 4.342 -3.923 7.979
86 HE1 PHE 15 1HE PHE 15 0.430 -1.271 9.488
87 HE2 PHE 15 2HE PHE 15 2.558 -4.999 9.322
88 HZ PHE 15 HZ PHE 15 0.601 -3.674 10.076
89 H CYS 16 H CYS 16 2.489 0.571 5.149
90 HA CYS 16 HA CYS 16 4.456 2.133 3.553
91 1HB CYS 16 2HB CYS 16 1.498 2.565 4.085
92 2HB CYS 16 1HB CYS 16 2.455 3.325 2.815
93 H CYS 17 H CYS 17 2.688 4.583 4.345
94 HA CYS 17 HA CYS 17 4.385 5.382 6.633
95 1HB CYS 17 2HB CYS 17 4.090 6.760 4.571
96 2HB CYS 17 1HB CYS 17 2.381 6.934 4.966
97 H SER 18 H SER 18 1.060 6.515 6.140
98 HA SER 18 HA SER 18 0.167 5.145 8.624
99 1HB SER 18 2HB SER 18 0.501 8.106 8.170
100 2HB SER 18 1HB SER 18 -0.656 7.501 9.350
101 HG SER 18 HG SER 18 2.114 7.488 9.375
102 H GLY 19 H GLY 19 -0.765 7.498 6.096
103 1HA GLY 19 2HA GLY 19 -3.556 6.472 6.220
104 2HA GLY 19 1HA GLY 19 -3.057 7.972 5.438
105 H TYR 20 H TYR 20 -1.200 5.050 4.948
106 HA TYR 20 HA TYR 20 -2.430 4.699 2.238
107 1HB TYR 20 2HB TYR 20 0.494 4.962 3.019
108 2HB TYR 20 1HB TYR 20 -0.043 4.422 1.429
109 HD1 TYR 20 1HD TYR 20 0.611 7.262 3.540
110 HD2 TYR 20 2HD TYR 20 -1.583 5.971 0.079
111 HE1 TYR 20 1HE TYR 20 0.338 9.622 2.832
112 HE2 TYR 20 2HE TYR 20 -1.857 8.331 -0.627
113 HH TYR 20 HH TYR 20 -0.096 10.741 0.295
114 H ASN 21 H ASN 21 -2.766 2.543 1.758
115 HA ASN 21 HA ASN 21 -1.619 0.497 3.624
116 1HB ASN 21 2HB ASN 21 -4.196 1.023 2.985
117 2HB ASN 21 1HB ASN 21 -3.812 -0.122 1.700
118 1HD2 ASN 21 1HD2 ASN 21 -4.284 -2.239 2.302
119 2HD2 ASN 21 2HD2 ASN 21 -4.163 -2.857 3.879
120 H CYS 22 H CYS 22 -0.597 -1.386 2.666
121 HA CYS 22 HA CYS 22 0.553 -0.865 -0.006
122 1HB CYS 22 2HB CYS 22 1.387 -2.053 2.384
123 2HB CYS 22 1HB CYS 22 1.218 -3.405 1.263
124 H SER 23 H SER 23 -0.331 -1.691 -1.826
125 HA SER 23 HA SER 23 -2.430 -3.779 -1.638
126 1HB SER 23 2HB SER 23 -1.764 -1.499 -3.295
127 2HB SER 23 1HB SER 23 -2.009 -2.924 -4.298
128 HG SER 23 HG SER 23 -4.033 -3.165 -3.437
129 HA PRO 24 HA PRO 24 0.595 -6.796 -2.920
130 1HB PRO 24 2HB PRO 24 -1.131 -8.911 -3.115
131 2HB PRO 24 1HB PRO 24 -0.517 -8.303 -1.565
132 1HG PRO 24 2HG PRO 24 -3.153 -7.862 -2.862
133 2HG PRO 24 1HG PRO 24 -2.757 -8.066 -1.149
134 1HD PRO 24 2HD PRO 24 -3.283 -5.648 -2.331
135 2HD PRO 24 1HD PRO 24 -2.309 -5.851 -0.860
136 H THR 25 H THR 25 -2.525 -6.388 -4.572
137 HA THR 25 HA THR 25 -1.757 -7.703 -7.036
138 HB THR 25 HB THR 25 -3.904 -5.659 -6.373
139 HG1 THR 25 1HG THR 25 -4.550 -7.324 -5.261
140 1HG2 THR 25 1HG2 THR 25 -3.118 -6.899 -8.867
141 2HG2 THR 25 2HG2 THR 25 -4.361 -5.684 -8.574
142 3HG2 THR 25 3HG2 THR 25 -4.750 -7.397 -8.420
143 H TRP 26 H TRP 26 -1.725 -4.333 -5.911
144 HA TRP 26 HA TRP 26 -0.690 -3.363 -8.513
145 1HB TRP 26 2HB TRP 26 -1.238 -1.945 -5.884
146 2HB TRP 26 1HB TRP 26 -0.962 -1.171 -7.443
147 HD1 TRP 26 HD TRP 26 -3.578 -3.062 -5.453
148 HE1 TRP 26 1HE TRP 26 -5.831 -2.965 -6.699
149 HE3 TRP 26 3HE TRP 26 -2.062 -0.975 -9.859
150 HZ2 TRP 26 2HZ TRP 26 -6.858 -2.110 -9.225
151 HZ3 TRP 26 3HZ TRP 26 -3.698 -0.529 -11.666
152 HH2 TRP 26 HH TRP 26 -6.091 -1.093 -11.355
153 H LYS 27 H LYS 27 0.590 -4.565 -5.569
154 HA LYS 27 HA LYS 27 2.772 -4.739 -4.747
155 1HB LYS 27 2HB LYS 27 3.243 -3.883 -7.611
156 2HB LYS 27 1HB LYS 27 4.557 -4.328 -6.524
157 1HG LYS 27 2HG LYS 27 2.187 -6.107 -7.178
158 2HG LYS 27 1HG LYS 27 3.783 -6.247 -7.916
159 1HD LYS 27 2HD LYS 27 4.413 -6.217 -5.243
160 2HD LYS 27 1HD LYS 27 2.875 -7.079 -5.236
161 1HE LYS 27 2HE LYS 27 5.041 -7.824 -7.209
162 2HE LYS 27 1HE LYS 27 5.029 -8.493 -5.566
163 1HZ LYS 27 1HZ LYS 27 3.740 -9.912 -7.002
164 2HZ LYS 27 2HZ LYS 27 2.800 -8.600 -7.532
165 3HZ LYS 27 3HZ LYS 27 2.692 -9.130 -5.922
166 H TRP 28 H TRP 28 1.278 -1.954 -4.771
167 HA TRP 28 HA TRP 28 3.627 -0.515 -3.688
168 1HB TRP 28 2HB TRP 28 3.275 1.443 -5.076
169 2HB TRP 28 1HB TRP 28 3.461 0.041 -6.116
170 HD1 TRP 28 HD TRP 28 0.367 1.664 -4.392
171 HE1 TRP 28 1HE TRP 28 -1.471 1.921 -6.178
172 HE3 TRP 28 3HE TRP 28 2.813 -0.207 -8.461
173 HZ2 TRP 28 2HZ TRP 28 -1.856 1.411 -8.961
174 HZ3 TRP 28 3HZ TRP 28 1.692 -0.304 -10.669
175 HH2 TRP 28 HH TRP 28 -0.639 0.503 -10.923
176 H CYS 29 H CYS 29 3.023 1.314 -2.325
177 HA CYS 29 HA CYS 29 0.724 0.801 -0.678
178 1HB CYS 29 2HB CYS 29 2.683 3.092 -0.967
179 2HB CYS 29 1HB CYS 29 1.439 3.071 0.282
180 H VAL 30 H VAL 30 -1.315 1.652 -0.748
181 HA VAL 30 HA VAL 30 -1.919 3.781 -2.776
182 HB VAL 30 HB VAL 30 -4.113 2.581 -3.020
183 1HG1 VAL 30 1HG1 VAL 30 -3.027 0.419 -4.016
184 2HG1 VAL 30 2HG1 VAL 30 -1.505 1.203 -3.594
185 3HG1 VAL 30 3HG1 VAL 30 -2.621 1.986 -4.711
186 1HG2 VAL 30 1HG2 VAL 30 -4.569 0.549 -1.928
187 2HG2 VAL 30 2HG2 VAL 30 -3.795 1.499 -0.660
188 3HG2 VAL 30 3HG2 VAL 30 -2.874 0.272 -1.530
189 H TYR 31 H TYR 31 -4.443 4.473 -2.063
190 HA TYR 31 HA TYR 31 -4.098 5.902 0.429
191 1HB TYR 31 2HB TYR 31 -6.238 6.818 -0.108
192 2HB TYR 31 1HB TYR 31 -5.472 6.505 -1.662
193 HD1 TYR 31 1HD TYR 31 -6.216 4.641 -3.087
194 HD2 TYR 31 2HD TYR 31 -8.110 5.467 0.681
195 HE1 TYR 31 1HE TYR 31 -8.116 3.178 -3.720
196 HE2 TYR 31 2HE TYR 31 -10.008 4.003 0.047
197 HH TYR 31 HH TYR 31 -10.013 1.780 -1.993
198 H ALA 32 H ALA 32 -5.153 5.532 2.446
199 HA ALA 32 HA ALA 32 -6.105 2.720 2.851
200 1HB ALA 32 1HB ALA 32 -4.102 3.459 4.086
201 2HB ALA 32 2HB ALA 32 -5.434 3.162 5.202
202 3HB ALA 32 3HB ALA 32 -5.007 4.814 4.759
203 H ARG 33 H ARG 33 -8.210 2.395 3.483
204 HA ARG 33 HA ARG 33 -10.136 4.533 3.467
205 1HB ARG 33 2HB ARG 33 -10.023 1.608 3.946
206 2HB ARG 33 1HB ARG 33 -11.390 2.438 4.690
207 1HG ARG 33 2HG ARG 33 -10.951 3.391 1.981
208 2HG ARG 33 1HG ARG 33 -11.175 1.641 2.008
209 1HD ARG 33 2HD ARG 33 -13.034 3.443 3.566
210 2HD ARG 33 1HD ARG 33 -13.313 3.111 1.845
211 HE ARG 33 HE ARG 33 -13.188 1.008 3.972
212 1HH1 ARG 33 1HH2 ARG 33 -15.792 1.692 2.641
213 2HH1 ARG 33 2HH2 ARG 33 -15.901 0.477 1.411
214 1HH2 ARG 33 1HH1 ARG 33 -12.540 -0.387 1.593
215 2HH2 ARG 33 2HH1 ARG 33 -14.056 -0.703 0.817
216 HA PRO 34 HA PRO 34 -10.290 4.056 8.224
217 1HB PRO 34 2HB PRO 34 -8.414 2.493 9.462
218 2HB PRO 34 1HB PRO 34 -9.970 1.863 8.883
219 1HG PRO 34 2HG PRO 34 -7.272 1.662 7.653
220 2HG PRO 34 1HG PRO 34 -8.584 0.476 7.701
221 1HD PRO 34 2HD PRO 34 -7.994 2.018 5.520
222 2HD PRO 34 1HD PRO 34 -9.601 1.337 5.852
Start of MODEL 14
1 1H GLY 1 1HT GLY 1 9.070 4.459 8.302
2 2H GLY 1 2HT GLY 1 10.474 3.570 7.955
3 3H GLY 1 3HT GLY 1 9.122 2.797 8.635
4 1HA GLY 1 2HA GLY 1 9.740 3.239 5.909
5 2HA GLY 1 1HA GLY 1 8.436 2.279 6.607
6 H CYS 2 H CYS 2 8.589 4.346 4.326
7 HA CYS 2 HA CYS 2 6.025 5.662 4.974
8 1HB CYS 2 2HB CYS 2 8.357 6.946 5.613
9 2HB CYS 2 1HB CYS 2 8.088 7.535 3.974
10 H GLY 3 H GLY 3 5.008 4.785 3.159
11 1HA GLY 3 2HA GLY 3 6.347 5.104 0.512
12 2HA GLY 3 1HA GLY 3 5.032 3.979 0.850
13 H GLY 4 H GLY 4 3.115 4.617 0.003
14 1HA GLY 4 2HA GLY 4 1.812 7.056 0.477
15 2HA GLY 4 1HA GLY 4 2.691 7.275 -1.037
16 H LEU 5 H LEU 5 1.306 6.992 -2.716
17 HA LEU 5 HA LEU 5 -0.862 4.946 -2.482
18 1HB LEU 5 2HB LEU 5 -0.406 7.445 -4.108
19 2HB LEU 5 1HB LEU 5 -1.662 6.288 -4.553
20 HG LEU 5 HG LEU 5 -2.203 6.507 -1.923
21 1HD1 LEU 5 1HD1 LEU 5 -0.647 8.933 -2.708
22 2HD1 LEU 5 2HD1 LEU 5 -0.751 8.123 -1.145
23 3HD1 LEU 5 3HD1 LEU 5 -2.065 9.168 -1.685
24 1HD2 LEU 5 1HD2 LEU 5 -3.805 8.411 -2.675
25 2HD2 LEU 5 2HD2 LEU 5 -3.935 6.850 -3.486
26 3HD2 LEU 5 3HD2 LEU 5 -3.086 8.183 -4.270
27 H MET 6 H MET 6 2.228 5.214 -3.781
28 HA MET 6 HA MET 6 1.723 2.942 -5.613
29 1HB MET 6 2HB MET 6 1.564 5.413 -6.634
30 2HB MET 6 1HB MET 6 3.318 5.234 -6.687
31 1HG MET 6 2HG MET 6 2.064 2.813 -7.632
32 2HG MET 6 1HG MET 6 1.434 4.197 -8.524
33 1HE MET 6 1HE MET 6 3.230 1.600 -8.724
34 2HE MET 6 2HE MET 6 4.866 1.908 -8.146
35 3HE MET 6 3HE MET 6 4.540 1.885 -9.877
36 H ALA 7 H ALA 7 3.180 3.381 -3.044
37 HA ALA 7 HA ALA 7 6.044 3.386 -3.668
38 1HB ALA 7 1HB ALA 7 4.758 2.422 -1.115
39 2HB ALA 7 2HB ALA 7 4.735 4.136 -1.533
40 3HB ALA 7 3HB ALA 7 6.273 3.301 -1.321
41 H GLY 8 H GLY 8 7.230 1.592 -4.203
42 1HA GLY 8 2HA GLY 8 6.089 -0.907 -4.840
43 2HA GLY 8 1HA GLY 8 7.810 -0.658 -4.543
44 H CYS 9 H CYS 9 5.189 -2.375 -3.499
45 HA CYS 9 HA CYS 9 5.871 -2.381 -0.620
46 1HB CYS 9 2HB CYS 9 3.541 -2.436 -1.170
47 2HB CYS 9 1HB CYS 9 3.786 -3.704 -2.373
48 H ASP 10 H ASP 10 5.213 -5.125 -2.801
49 HA ASP 10 HA ASP 10 6.306 -7.194 -3.063
50 1HB ASP 10 2HB ASP 10 8.132 -5.075 -3.322
51 2HB ASP 10 1HB ASP 10 8.949 -6.244 -2.284
52 H GLY 11 H GLY 11 5.359 -8.246 -1.225
53 1HA GLY 11 2HA GLY 11 6.693 -9.654 0.583
54 2HA GLY 11 1HA GLY 11 6.833 -8.076 1.353
55 H LYS 12 H LYS 12 3.964 -7.641 0.036
56 HA LYS 12 HA LYS 12 1.741 -7.766 0.784
57 1HB LYS 12 2HB LYS 12 2.761 -10.405 1.892
58 2HB LYS 12 1HB LYS 12 1.068 -9.978 1.664
59 1HG LYS 12 2HG LYS 12 1.213 -10.072 -0.663
60 2HG LYS 12 1HG LYS 12 2.955 -9.795 -0.666
61 1HD LYS 12 2HD LYS 12 2.196 -12.236 0.771
62 2HD LYS 12 1HD LYS 12 1.722 -12.263 -0.927
63 1HE LYS 12 2HE LYS 12 3.888 -12.969 -1.242
64 2HE LYS 12 1HE LYS 12 4.259 -11.238 -1.118
65 1HZ LYS 12 1HZ LYS 12 4.424 -11.524 1.308
66 2HZ LYS 12 2HZ LYS 12 5.580 -12.448 0.475
67 3HZ LYS 12 3HZ LYS 12 4.198 -13.194 1.121
68 H SER 13 H SER 13 4.075 -6.806 2.623
69 HA SER 13 HA SER 13 2.423 -6.141 4.919
70 1HB SER 13 2HB SER 13 3.110 -8.600 5.215
71 2HB SER 13 1HB SER 13 4.758 -8.015 5.408
72 HG SER 13 HG SER 13 2.506 -7.657 7.045
73 H THR 14 H THR 14 3.860 -4.521 3.149
74 HA THR 14 HA THR 14 6.484 -3.850 4.294
75 HB THR 14 HB THR 14 5.712 -3.753 1.838
76 HG1 THR 14 1HG THR 14 7.398 -2.545 1.665
77 1HG2 THR 14 1HG2 THR 14 4.398 -1.968 1.089
78 2HG2 THR 14 2HG2 THR 14 4.698 -1.011 2.541
79 3HG2 THR 14 3HG2 THR 14 3.608 -2.396 2.607
80 H PHE 15 H PHE 15 6.951 -1.696 5.191
81 HA PHE 15 HA PHE 15 4.715 -0.676 6.860
82 1HB PHE 15 2HB PHE 15 7.566 -1.024 7.071
83 2HB PHE 15 1HB PHE 15 7.177 0.675 7.340
84 HD1 PHE 15 1HD PHE 15 4.835 0.936 8.766
85 HD2 PHE 15 2HD PHE 15 7.615 -2.333 8.990
86 HE1 PHE 15 1HE PHE 15 4.002 0.382 11.034
87 HE2 PHE 15 2HE PHE 15 6.782 -2.886 11.259
88 HZ PHE 15 HZ PHE 15 4.973 -1.529 12.281
89 H CYS 16 H CYS 16 3.574 1.060 6.126
90 HA CYS 16 HA CYS 16 4.802 2.855 4.084
91 1HB CYS 16 2HB CYS 16 2.322 1.593 4.387
92 2HB CYS 16 1HB CYS 16 1.996 3.284 4.770
93 H CYS 17 H CYS 17 3.467 5.197 4.456
94 HA CYS 17 HA CYS 17 4.839 6.468 6.627
95 1HB CYS 17 2HB CYS 17 2.551 7.221 4.796
96 2HB CYS 17 1HB CYS 17 3.187 8.350 5.989
97 H SER 18 H SER 18 1.346 6.863 6.368
98 HA SER 18 HA SER 18 0.796 5.519 8.927
99 1HB SER 18 2HB SER 18 0.022 7.718 9.937
100 2HB SER 18 1HB SER 18 1.763 7.591 9.713
101 HG SER 18 HG SER 18 -0.082 9.236 8.498
102 H GLY 19 H GLY 19 -0.755 4.386 7.562
103 1HA GLY 19 2HA GLY 19 -3.292 4.520 7.505
104 2HA GLY 19 1HA GLY 19 -3.075 6.073 6.698
105 H TYR 20 H TYR 20 -0.628 4.669 5.303
106 HA TYR 20 HA TYR 20 -2.164 3.809 2.947
107 1HB TYR 20 2HB TYR 20 0.773 4.151 3.609
108 2HB TYR 20 1HB TYR 20 0.206 3.610 2.030
109 HD1 TYR 20 1HD TYR 20 -2.057 5.166 1.351
110 HD2 TYR 20 2HD TYR 20 1.409 6.384 3.574
111 HE1 TYR 20 1HE TYR 20 -2.468 7.520 0.696
112 HE2 TYR 20 2HE TYR 20 0.999 8.741 2.918
113 HH TYR 20 HH TYR 20 -1.464 10.024 2.116
114 H ASN 21 H ASN 21 -2.184 1.687 2.117
115 HA ASN 21 HA ASN 21 -0.992 -0.438 3.865
116 1HB ASN 21 2HB ASN 21 -3.367 -0.360 4.220
117 2HB ASN 21 1HB ASN 21 -3.684 -0.194 2.495
118 1HD2 ASN 21 1HD2 ASN 21 -2.336 -2.526 4.890
119 2HD2 ASN 21 2HD2 ASN 21 -2.759 -3.909 4.001
120 H CYS 22 H CYS 22 -0.324 -2.378 2.727
121 HA CYS 22 HA CYS 22 0.600 -1.841 -0.028
122 1HB CYS 22 2HB CYS 22 2.223 -2.809 1.381
123 2HB CYS 22 1HB CYS 22 1.062 -3.911 2.117
124 H SER 23 H SER 23 -0.306 -2.737 -1.839
125 HA SER 23 HA SER 23 -2.671 -4.523 -1.493
126 1HB SER 23 2HB SER 23 -2.459 -2.244 -2.844
127 2HB SER 23 1HB SER 23 -1.790 -3.294 -4.089
128 HG SER 23 HG SER 23 -4.362 -3.130 -3.056
129 HA PRO 24 HA PRO 24 -0.129 -7.867 -2.953
130 1HB PRO 24 2HB PRO 24 -2.127 -9.704 -3.289
131 2HB PRO 24 1HB PRO 24 -1.475 -9.264 -1.697
132 1HG PRO 24 2HG PRO 24 -3.984 -8.376 -3.024
133 2HG PRO 24 1HG PRO 24 -3.676 -8.743 -1.320
134 1HD PRO 24 2HD PRO 24 -3.815 -6.206 -2.329
135 2HD PRO 24 1HD PRO 24 -2.890 -6.647 -0.877
136 H THR 25 H THR 25 -2.978 -6.681 -4.674
137 HA THR 25 HA THR 25 -2.248 -8.060 -7.181
138 HB THR 25 HB THR 25 -4.382 -5.978 -6.616
139 HG1 THR 25 1HG THR 25 -4.380 -8.797 -6.321
140 1HG2 THR 25 1HG2 THR 25 -3.747 -6.620 -9.022
141 2HG2 THR 25 2HG2 THR 25 -5.446 -6.784 -8.581
142 3HG2 THR 25 3HG2 THR 25 -4.412 -8.211 -8.650
143 H TRP 26 H TRP 26 -2.181 -4.774 -5.829
144 HA TRP 26 HA TRP 26 -1.139 -3.632 -8.354
145 1HB TRP 26 2HB TRP 26 -1.459 -2.363 -5.618
146 2HB TRP 26 1HB TRP 26 -1.323 -1.537 -7.161
147 HD1 TRP 26 HD TRP 26 -3.396 -3.794 -8.539
148 HE1 TRP 26 1HE TRP 26 -5.908 -3.388 -8.164
149 HE3 TRP 26 3HE TRP 26 -3.200 -0.661 -4.512
150 HZ2 TRP 26 2HZ TRP 26 -7.616 -1.926 -6.402
151 HZ3 TRP 26 3HZ TRP 26 -5.285 0.225 -3.508
152 HH2 TRP 26 HH TRP 26 -7.492 -0.404 -4.446
153 H LYS 27 H LYS 27 0.135 -5.073 -5.495
154 HA LYS 27 HA LYS 27 2.322 -5.386 -4.726
155 1HB LYS 27 2HB LYS 27 2.608 -4.617 -7.610
156 2HB LYS 27 1HB LYS 27 4.060 -4.766 -6.624
157 1HG LYS 27 2HG LYS 27 1.945 -6.927 -6.735
158 2HG LYS 27 1HG LYS 27 3.322 -6.888 -7.835
159 1HD LYS 27 2HD LYS 27 4.556 -7.911 -6.256
160 2HD LYS 27 1HD LYS 27 4.384 -6.475 -5.247
161 1HE LYS 27 2HE LYS 27 3.505 -8.190 -3.875
162 2HE LYS 27 1HE LYS 27 2.045 -7.516 -4.625
163 1HZ LYS 27 1HZ LYS 27 2.134 -9.940 -4.852
164 2HZ LYS 27 2HZ LYS 27 3.612 -9.815 -5.682
165 3HZ LYS 27 3HZ LYS 27 2.192 -9.176 -6.364
166 H TRP 28 H TRP 28 0.954 -2.556 -4.591
167 HA TRP 28 HA TRP 28 3.411 -1.239 -3.584
168 1HB TRP 28 2HB TRP 28 2.940 0.824 -4.814
169 2HB TRP 28 1HB TRP 28 3.143 -0.517 -5.927
170 HD1 TRP 28 HD TRP 28 0.002 0.787 -4.023
171 HE1 TRP 28 1HE TRP 28 -1.874 1.121 -5.760
172 HE3 TRP 28 3HE TRP 28 2.490 -0.508 -8.272
173 HZ2 TRP 28 2HZ TRP 28 -2.265 0.880 -8.580
174 HZ3 TRP 28 3HZ TRP 28 1.354 -0.447 -10.474
175 HH2 TRP 28 HH TRP 28 -1.022 0.245 -10.633
176 H CYS 29 H CYS 29 2.819 0.804 -2.328
177 HA CYS 29 HA CYS 29 0.689 0.160 -0.441
178 1HB CYS 29 2HB CYS 29 3.099 1.397 -0.328
179 2HB CYS 29 1HB CYS 29 2.042 2.804 -0.415
180 H VAL 30 H VAL 30 -1.175 1.435 -0.017
181 HA VAL 30 HA VAL 30 -1.885 3.662 -1.852
182 HB VAL 30 HB VAL 30 -4.095 2.451 -2.282
183 1HG1 VAL 30 1HG1 VAL 30 -1.868 0.778 -3.378
184 2HG1 VAL 30 2HG1 VAL 30 -1.902 2.499 -3.764
185 3HG1 VAL 30 3HG1 VAL 30 -3.263 1.469 -4.205
186 1HG2 VAL 30 1HG2 VAL 30 -4.360 0.196 -1.727
187 2HG2 VAL 30 2HG2 VAL 30 -3.479 0.796 -0.321
188 3HG2 VAL 30 3HG2 VAL 30 -2.623 -0.079 -1.592
189 H TYR 31 H TYR 31 -4.138 4.559 -1.090
190 HA TYR 31 HA TYR 31 -4.015 5.056 1.759
191 1HB TYR 31 2HB TYR 31 -4.929 6.525 -0.141
192 2HB TYR 31 1HB TYR 31 -6.373 5.511 -0.088
193 HD1 TYR 31 1HD TYR 31 -4.089 7.175 2.397
194 HD2 TYR 31 2HD TYR 31 -8.129 6.362 1.182
195 HE1 TYR 31 1HE TYR 31 -4.931 8.478 4.329
196 HE2 TYR 31 2HE TYR 31 -8.971 7.666 3.115
197 HH TYR 31 HH TYR 31 -7.325 9.817 4.735
198 H ALA 32 H ALA 32 -5.071 3.988 3.420
199 HA ALA 32 HA ALA 32 -6.521 1.496 2.756
200 1HB ALA 32 1HB ALA 32 -5.748 2.756 5.410
201 2HB ALA 32 2HB ALA 32 -4.729 1.647 4.492
202 3HB ALA 32 3HB ALA 32 -6.261 1.087 5.163
203 H ARG 33 H ARG 33 -8.633 1.945 2.148
204 HA ARG 33 HA ARG 33 -10.340 3.362 4.154
205 1HB ARG 33 2HB ARG 33 -11.426 4.542 2.227
206 2HB ARG 33 1HB ARG 33 -9.728 4.974 2.420
207 1HG ARG 33 2HG ARG 33 -9.155 4.074 0.419
208 2HG ARG 33 1HG ARG 33 -10.142 2.637 0.684
209 1HD ARG 33 2HD ARG 33 -12.185 4.059 0.173
210 2HD ARG 33 1HD ARG 33 -11.068 5.339 -0.342
211 HE ARG 33 HE ARG 33 -10.214 3.816 -2.074
212 1HH1 ARG 33 1HH2 ARG 33 -13.061 3.903 -2.809
213 2HH1 ARG 33 2HH2 ARG 33 -13.506 2.231 -2.876
214 1HH2 ARG 33 1HH1 ARG 33 -10.738 1.148 -1.074
215 2HH2 ARG 33 2HH1 ARG 33 -12.187 0.668 -1.890
216 HA PRO 34 HA PRO 34 -13.124 0.036 3.416
217 1HB PRO 34 2HB PRO 34 -15.549 1.254 3.790
218 2HB PRO 34 1HB PRO 34 -14.440 0.874 5.122
219 1HG PRO 34 2HG PRO 34 -14.919 3.465 3.739
220 2HG PRO 34 1HG PRO 34 -14.629 3.137 5.455
221 1HD PRO 34 2HD PRO 34 -12.718 4.094 3.764
222 2HD PRO 34 1HD PRO 34 -12.355 3.115 5.201
Start of MODEL 15
1 1H GLY 1 1HT GLY 1 11.438 5.907 4.368
2 2H GLY 1 2HT GLY 1 10.956 4.563 3.447
3 3H GLY 1 3HT GLY 1 12.407 4.516 4.330
4 1HA GLY 1 2HA GLY 1 10.928 3.274 5.618
5 2HA GLY 1 1HA GLY 1 10.993 4.859 6.392
6 H CYS 2 H CYS 2 9.351 6.472 5.178
7 HA CYS 2 HA CYS 2 6.688 5.375 5.640
8 1HB CYS 2 2HB CYS 2 7.922 7.841 5.729
9 2HB CYS 2 1HB CYS 2 6.960 7.965 4.256
10 H GLY 3 H GLY 3 5.184 4.748 4.083
11 1HA GLY 3 2HA GLY 3 6.175 4.400 1.323
12 2HA GLY 3 1HA GLY 3 4.691 3.712 1.983
13 H GLY 4 H GLY 4 3.129 4.497 0.601
14 1HA GLY 4 2HA GLY 4 2.190 7.158 0.835
15 2HA GLY 4 1HA GLY 4 3.180 7.086 -0.621
16 H LEU 5 H LEU 5 1.565 7.236 -2.166
17 HA LEU 5 HA LEU 5 -0.788 5.431 -2.014
18 1HB LEU 5 2HB LEU 5 -0.241 8.036 -2.938
19 2HB LEU 5 1HB LEU 5 -0.565 7.084 -4.389
20 HG LEU 5 HG LEU 5 -2.352 6.914 -1.963
21 1HD1 LEU 5 1HD1 LEU 5 -3.669 8.699 -2.712
22 2HD1 LEU 5 2HD1 LEU 5 -2.972 8.663 -4.331
23 3HD1 LEU 5 3HD1 LEU 5 -2.035 9.302 -2.981
24 1HD2 LEU 5 1HD2 LEU 5 -3.159 5.263 -3.296
25 2HD2 LEU 5 2HD2 LEU 5 -2.284 5.855 -4.708
26 3HD2 LEU 5 3HD2 LEU 5 -3.835 6.570 -4.268
27 H MET 6 H MET 6 2.339 5.441 -3.451
28 HA MET 6 HA MET 6 1.631 3.045 -5.048
29 1HB MET 6 2HB MET 6 2.519 5.721 -6.089
30 2HB MET 6 1HB MET 6 3.042 4.264 -6.936
31 1HG MET 6 2HG MET 6 0.420 3.683 -6.630
32 2HG MET 6 1HG MET 6 0.325 5.443 -6.702
33 1HE MET 6 1HE MET 6 -0.521 3.539 -10.178
34 2HE MET 6 2HE MET 6 -1.223 4.730 -9.086
35 3HE MET 6 3HE MET 6 -0.795 3.133 -8.478
36 H ALA 7 H ALA 7 3.280 3.604 -2.624
37 HA ALA 7 HA ALA 7 6.094 3.527 -3.367
38 1HB ALA 7 1HB ALA 7 6.089 4.135 -1.187
39 2HB ALA 7 2HB ALA 7 5.711 2.462 -0.779
40 3HB ALA 7 3HB ALA 7 4.409 3.630 -1.006
41 H GLY 8 H GLY 8 7.470 1.682 -3.404
42 1HA GLY 8 2HA GLY 8 6.334 -0.783 -4.321
43 2HA GLY 8 1HA GLY 8 8.014 -0.564 -3.828
44 H CYS 9 H CYS 9 5.377 -2.359 -3.135
45 HA CYS 9 HA CYS 9 5.611 -2.329 -0.185
46 1HB CYS 9 2HB CYS 9 3.406 -2.502 -1.147
47 2HB CYS 9 1HB CYS 9 3.913 -3.820 -2.203
48 H ASP 10 H ASP 10 5.509 -5.057 -2.484
49 HA ASP 10 HA ASP 10 6.793 -7.025 -2.624
50 1HB ASP 10 2HB ASP 10 8.507 -5.038 -2.704
51 2HB ASP 10 1HB ASP 10 8.936 -5.575 -1.080
52 H GLY 11 H GLY 11 5.658 -8.426 -1.238
53 1HA GLY 11 2HA GLY 11 6.396 -9.909 0.715
54 2HA GLY 11 1HA GLY 11 6.483 -8.412 1.639
55 H LYS 12 H LYS 12 3.928 -7.706 -0.165
56 HA LYS 12 HA LYS 12 1.597 -7.737 0.169
57 1HB LYS 12 2HB LYS 12 2.109 -10.467 1.378
58 2HB LYS 12 1HB LYS 12 0.660 -9.916 0.544
59 1HG LYS 12 2HG LYS 12 1.932 -9.729 -1.561
60 2HG LYS 12 1HG LYS 12 3.391 -10.266 -0.732
61 1HD LYS 12 2HD LYS 12 0.839 -11.862 -1.109
62 2HD LYS 12 1HD LYS 12 2.391 -12.166 -1.886
63 1HE LYS 12 2HE LYS 12 1.839 -12.346 1.104
64 2HE LYS 12 1HE LYS 12 2.111 -13.710 0.006
65 1HZ LYS 12 1HZ LYS 12 4.016 -11.591 0.806
66 2HZ LYS 12 2HZ LYS 12 4.253 -12.497 -0.612
67 3HZ LYS 12 3HZ LYS 12 4.210 -13.272 0.899
68 H SER 13 H SER 13 3.612 -7.061 2.465
69 HA SER 13 HA SER 13 1.611 -6.485 4.496
70 1HB SER 13 2HB SER 13 2.322 -9.039 4.564
71 2HB SER 13 1HB SER 13 3.749 -8.409 5.381
72 HG SER 13 HG SER 13 1.154 -8.630 6.248
73 H THR 14 H THR 14 3.464 -4.863 3.112
74 HA THR 14 HA THR 14 5.850 -4.419 4.761
75 HB THR 14 HB THR 14 5.565 -4.128 2.232
76 HG1 THR 14 1HG THR 14 7.187 -2.778 2.325
77 1HG2 THR 14 1HG2 THR 14 3.374 -2.783 2.644
78 2HG2 THR 14 2HG2 THR 14 4.466 -2.239 1.371
79 3HG2 THR 14 3HG2 THR 14 4.452 -1.418 2.932
80 H PHE 15 H PHE 15 6.272 -2.205 5.693
81 HA PHE 15 HA PHE 15 3.811 -1.154 7.032
82 1HB PHE 15 2HB PHE 15 6.489 -1.859 7.831
83 2HB PHE 15 1HB PHE 15 6.223 -0.148 8.172
84 HD1 PHE 15 1HD PHE 15 3.901 -3.099 8.207
85 HD2 PHE 15 2HD PHE 15 5.725 0.083 10.445
86 HE1 PHE 15 1HE PHE 15 2.529 -3.703 10.181
87 HE2 PHE 15 2HE PHE 15 4.353 -0.521 12.421
88 HZ PHE 15 HZ PHE 15 2.755 -2.414 12.289
89 H CYS 16 H CYS 16 3.048 0.510 5.747
90 HA CYS 16 HA CYS 16 4.887 2.339 4.347
91 1HB CYS 16 2HB CYS 16 1.865 2.246 4.641
92 2HB CYS 16 1HB CYS 16 2.747 3.243 3.483
93 H CYS 17 H CYS 17 2.824 4.570 4.816
94 HA CYS 17 HA CYS 17 4.205 5.855 7.031
95 1HB CYS 17 2HB CYS 17 1.939 6.499 5.144
96 2HB CYS 17 1HB CYS 17 2.320 7.587 6.479
97 H SER 18 H SER 18 0.796 6.408 7.003
98 HA SER 18 HA SER 18 0.318 4.617 9.337
99 1HB SER 18 2HB SER 18 0.310 7.631 9.250
100 2HB SER 18 1HB SER 18 -0.699 6.777 10.413
101 HG SER 18 HG SER 18 1.057 6.040 11.414
102 H GLY 19 H GLY 19 -0.884 3.870 7.152
103 1HA GLY 19 2HA GLY 19 -3.586 3.787 7.433
104 2HA GLY 19 1HA GLY 19 -3.378 5.343 6.627
105 H TYR 20 H TYR 20 -1.290 4.794 4.885
106 HA TYR 20 HA TYR 20 -2.553 3.610 2.641
107 1HB TYR 20 2HB TYR 20 0.396 3.878 3.336
108 2HB TYR 20 1HB TYR 20 -0.237 3.603 1.716
109 HD1 TYR 20 1HD TYR 20 -2.742 5.389 2.073
110 HD2 TYR 20 2HD TYR 20 1.425 6.020 2.891
111 HE1 TYR 20 1HE TYR 20 -3.057 7.828 1.774
112 HE2 TYR 20 2HE TYR 20 1.111 8.462 2.595
113 HH TYR 20 HH TYR 20 -1.150 9.851 1.058
114 H ASN 21 H ASN 21 -2.922 1.482 2.122
115 HA ASN 21 HA ASN 21 -1.548 -0.631 3.737
116 1HB ASN 21 2HB ASN 21 -4.156 -0.196 3.463
117 2HB ASN 21 1HB ASN 21 -3.925 -1.101 1.968
118 1HD2 ASN 21 1HD2 ASN 21 -5.465 -2.589 3.434
119 2HD2 ASN 21 2HD2 ASN 21 -4.654 -3.758 4.360
120 H CYS 22 H CYS 22 -0.864 -2.595 2.570
121 HA CYS 22 HA CYS 22 0.325 -1.947 -0.058
122 1HB CYS 22 2HB CYS 22 1.765 -2.983 1.523
123 2HB CYS 22 1HB CYS 22 0.546 -4.171 1.977
124 H SER 23 H SER 23 -0.456 -2.722 -1.987
125 HA SER 23 HA SER 23 -2.856 -4.485 -1.953
126 1HB SER 23 2HB SER 23 -1.889 -2.260 -3.488
127 2HB SER 23 1HB SER 23 -2.075 -3.633 -4.574
128 HG SER 23 HG SER 23 -4.161 -3.493 -4.349
129 HA PRO 24 HA PRO 24 -0.141 -7.851 -3.042
130 1HB PRO 24 2HB PRO 24 -2.089 -9.729 -3.450
131 2HB PRO 24 1HB PRO 24 -1.554 -9.219 -1.836
132 1HG PRO 24 2HG PRO 24 -3.975 -8.425 -3.367
133 2HG PRO 24 1HG PRO 24 -3.781 -8.715 -1.633
134 1HD PRO 24 2HD PRO 24 -3.884 -6.226 -2.763
135 2HD PRO 24 1HD PRO 24 -3.066 -6.585 -1.227
136 H THR 25 H THR 25 -2.802 -6.696 -5.034
137 HA THR 25 HA THR 25 -1.943 -8.227 -7.406
138 HB THR 25 HB THR 25 -4.019 -6.040 -7.046
139 HG1 THR 25 1HG THR 25 -4.939 -7.545 -5.911
140 1HG2 THR 25 1HG2 THR 25 -5.036 -7.281 -9.041
141 2HG2 THR 25 2HG2 THR 25 -3.469 -8.069 -9.214
142 3HG2 THR 25 3HG2 THR 25 -3.596 -6.317 -9.371
143 H TRP 26 H TRP 26 -1.628 -4.950 -6.119
144 HA TRP 26 HA TRP 26 -0.370 -4.007 -8.651
145 1HB TRP 26 2HB TRP 26 -1.020 -2.524 -6.086
146 2HB TRP 26 1HB TRP 26 -0.634 -1.811 -7.647
147 HD1 TRP 26 HD TRP 26 -2.529 -4.145 -9.152
148 HE1 TRP 26 1HE TRP 26 -5.060 -3.683 -9.194
149 HE3 TRP 26 3HE TRP 26 -2.864 -0.715 -5.392
150 HZ2 TRP 26 2HZ TRP 26 -6.978 -2.066 -7.823
151 HZ3 TRP 26 3HZ TRP 26 -5.055 0.272 -4.778
152 HH2 TRP 26 HH TRP 26 -7.111 -0.400 -5.989
153 H LYS 27 H LYS 27 0.524 -5.194 -5.532
154 HA LYS 27 HA LYS 27 2.632 -5.539 -4.562
155 1HB LYS 27 2HB LYS 27 3.010 -5.836 -7.168
156 2HB LYS 27 1HB LYS 27 3.931 -4.344 -6.987
157 1HG LYS 27 2HG LYS 27 4.600 -6.160 -4.844
158 2HG LYS 27 1HG LYS 27 4.792 -6.975 -6.395
159 1HD LYS 27 2HD LYS 27 5.995 -4.756 -7.112
160 2HD LYS 27 1HD LYS 27 6.177 -4.509 -5.376
161 1HE LYS 27 2HE LYS 27 8.139 -5.698 -5.890
162 2HE LYS 27 1HE LYS 27 7.046 -7.017 -5.423
163 1HZ LYS 27 1HZ LYS 27 7.348 -6.001 -8.202
164 2HZ LYS 27 2HZ LYS 27 6.448 -7.355 -7.702
165 3HZ LYS 27 3HZ LYS 27 8.144 -7.375 -7.605
166 H TRP 28 H TRP 28 1.251 -2.637 -4.779
167 HA TRP 28 HA TRP 28 3.581 -1.303 -3.472
168 1HB TRP 28 2HB TRP 28 3.173 0.743 -4.718
169 2HB TRP 28 1HB TRP 28 3.377 -0.579 -5.855
170 HD1 TRP 28 HD TRP 28 0.289 0.920 -3.998
171 HE1 TRP 28 1HE TRP 28 -1.592 1.210 -5.735
172 HE3 TRP 28 3HE TRP 28 2.673 -0.795 -8.165
173 HZ2 TRP 28 2HZ TRP 28 -2.027 0.770 -8.531
174 HZ3 TRP 28 3HZ TRP 28 1.511 -0.850 -10.351
175 HH2 TRP 28 HH TRP 28 -0.835 -0.070 -10.540
176 H CYS 29 H CYS 29 2.865 0.621 -2.140
177 HA CYS 29 HA CYS 29 0.538 -0.119 -0.529
178 1HB CYS 29 2HB CYS 29 2.914 0.984 0.016
179 2HB CYS 29 1HB CYS 29 1.996 2.473 -0.212
180 H VAL 30 H VAL 30 -1.462 0.831 -0.574
181 HA VAL 30 HA VAL 30 -1.931 3.067 -2.520
182 HB VAL 30 HB VAL 30 -4.210 2.080 -2.668
183 1HG1 VAL 30 1HG1 VAL 30 -3.054 1.079 -4.356
184 2HG1 VAL 30 2HG1 VAL 30 -3.226 -0.358 -3.349
185 3HG1 VAL 30 3HG1 VAL 30 -1.734 0.580 -3.298
186 1HG2 VAL 30 1HG2 VAL 30 -3.334 -0.337 -1.150
187 2HG2 VAL 30 2HG2 VAL 30 -4.948 0.351 -1.330
188 3HG2 VAL 30 3HG2 VAL 30 -3.799 1.077 -0.206
189 H TYR 31 H TYR 31 -4.418 3.868 -1.694
190 HA TYR 31 HA TYR 31 -3.826 5.233 0.859
191 1HB TYR 31 2HB TYR 31 -5.840 6.548 0.239
192 2HB TYR 31 1HB TYR 31 -4.684 6.475 -1.088
193 HD1 TYR 31 1HD TYR 31 -7.783 4.862 0.243
194 HD2 TYR 31 2HD TYR 31 -5.312 5.597 -3.191
195 HE1 TYR 31 1HE TYR 31 -9.527 3.880 -1.220
196 HE2 TYR 31 2HE TYR 31 -7.055 4.614 -4.656
197 HH TYR 31 HH TYR 31 -9.950 4.344 -4.139
198 H ALA 32 H ALA 32 -5.597 5.346 2.538
199 HA ALA 32 HA ALA 32 -6.875 2.659 2.878
200 1HB ALA 32 1HB ALA 32 -5.918 2.858 4.916
201 2HB ALA 32 2HB ALA 32 -6.976 4.230 5.244
202 3HB ALA 32 3HB ALA 32 -5.385 4.495 4.533
203 H ARG 33 H ARG 33 -8.885 3.135 4.600
204 HA ARG 33 HA ARG 33 -10.641 5.141 3.214
205 1HB ARG 33 2HB ARG 33 -10.891 2.291 3.902
206 2HB ARG 33 1HB ARG 33 -12.287 3.248 4.393
207 1HG ARG 33 2HG ARG 33 -12.995 3.090 2.256
208 2HG ARG 33 1HG ARG 33 -11.694 4.207 1.845
209 1HD ARG 33 2HD ARG 33 -10.644 2.581 0.672
210 2HD ARG 33 1HD ARG 33 -10.607 1.541 2.111
211 HE ARG 33 HE ARG 33 -12.996 1.727 0.307
212 1HH1 ARG 33 1HH1 ARG 33 -12.724 0.402 3.179
213 2HH1 ARG 33 2HH1 ARG 33 -12.717 -1.264 2.707
214 1HH2 ARG 33 1HH2 ARG 33 -12.174 -0.585 -0.655
215 2HH2 ARG 33 2HH2 ARG 33 -12.406 -1.823 0.533
216 HA PRO 34 HA PRO 34 -10.238 6.180 7.753
217 1HB PRO 34 2HB PRO 34 -9.623 8.824 7.397
218 2HB PRO 34 1HB PRO 34 -8.397 7.542 7.449
219 1HG PRO 34 2HG PRO 34 -9.579 8.933 5.098
220 2HG PRO 34 1HG PRO 34 -7.909 8.416 5.382
221 1HD PRO 34 2HD PRO 34 -9.650 7.049 3.796
222 2HD PRO 34 1HD PRO 34 -8.311 6.277 4.674
Start of MODEL 16
1 1H GLY 1 1HT GLY 1 10.802 9.651 3.128
2 2H GLY 1 2HT GLY 1 9.194 9.104 3.120
3 3H GLY 1 3HT GLY 1 10.435 8.109 2.524
4 1HA GLY 1 2HA GLY 1 11.412 7.959 4.732
5 2HA GLY 1 1HA GLY 1 10.109 8.978 5.345
6 H CYS 2 H CYS 2 7.846 8.128 4.926
7 HA CYS 2 HA CYS 2 7.773 5.221 5.538
8 1HB CYS 2 2HB CYS 2 5.539 5.736 6.331
9 2HB CYS 2 1HB CYS 2 6.619 7.006 6.904
10 H GLY 3 H GLY 3 5.362 4.410 4.595
11 1HA GLY 3 2HA GLY 3 5.821 4.153 1.723
12 2HA GLY 3 1HA GLY 3 4.507 3.406 2.634
13 H GLY 4 H GLY 4 3.780 4.421 0.245
14 1HA GLY 4 2HA GLY 4 2.095 6.731 1.021
15 2HA GLY 4 1HA GLY 4 3.149 6.950 -0.375
16 H LEU 5 H LEU 5 2.130 6.588 -2.277
17 HA LEU 5 HA LEU 5 -0.200 4.706 -2.309
18 1HB LEU 5 2HB LEU 5 0.067 7.361 -3.039
19 2HB LEU 5 1HB LEU 5 0.180 6.518 -4.585
20 HG LEU 5 HG LEU 5 -1.930 5.495 -2.791
21 1HD1 LEU 5 1HD1 LEU 5 -3.456 7.367 -3.189
22 2HD1 LEU 5 2HD1 LEU 5 -2.187 8.249 -4.038
23 3HD1 LEU 5 3HD1 LEU 5 -2.036 7.931 -2.309
24 1HD2 LEU 5 1HD2 LEU 5 -3.149 5.359 -4.861
25 2HD2 LEU 5 2HD2 LEU 5 -1.491 4.876 -5.216
26 3HD2 LEU 5 3HD2 LEU 5 -2.050 6.491 -5.651
27 H MET 6 H MET 6 2.996 4.536 -3.026
28 HA MET 6 HA MET 6 2.528 2.509 -5.138
29 1HB MET 6 2HB MET 6 3.163 5.099 -5.809
30 2HB MET 6 1HB MET 6 4.758 4.352 -5.725
31 1HG MET 6 2HG MET 6 4.301 3.708 -7.861
32 2HG MET 6 1HG MET 6 3.372 2.431 -7.077
33 1HE MET 6 1HE MET 6 3.212 6.056 -8.661
34 2HE MET 6 2HE MET 6 1.983 5.615 -9.843
35 3HE MET 6 3HE MET 6 3.464 4.667 -9.726
36 H ALA 7 H ALA 7 3.486 2.547 -2.275
37 HA ALA 7 HA ALA 7 6.366 2.045 -2.318
38 1HB ALA 7 1HB ALA 7 4.982 0.866 -0.075
39 2HB ALA 7 2HB ALA 7 4.275 2.440 -0.434
40 3HB ALA 7 3HB ALA 7 6.001 2.305 -0.102
41 H GLY 8 H GLY 8 7.238 0.205 -3.180
42 1HA GLY 8 2HA GLY 8 5.900 -2.027 -4.170
43 2HA GLY 8 1HA GLY 8 7.570 -2.082 -3.615
44 H CYS 9 H CYS 9 4.840 -3.710 -3.272
45 HA CYS 9 HA CYS 9 5.085 -4.155 -0.320
46 1HB CYS 9 2HB CYS 9 2.912 -3.450 -1.589
47 2HB CYS 9 1HB CYS 9 2.874 -5.129 -2.126
48 H ASP 10 H ASP 10 6.772 -5.329 -2.637
49 HA ASP 10 HA ASP 10 6.113 -8.096 -2.990
50 1HB ASP 10 2HB ASP 10 7.742 -6.555 -4.250
51 2HB ASP 10 1HB ASP 10 8.884 -6.878 -2.944
52 H GLY 11 H GLY 11 7.535 -6.381 -0.290
53 1HA GLY 11 2HA GLY 11 8.840 -8.696 0.899
54 2HA GLY 11 1HA GLY 11 8.551 -7.149 1.692
55 H LYS 12 H LYS 12 5.591 -7.935 0.512
56 HA LYS 12 HA LYS 12 3.622 -8.790 1.461
57 1HB LYS 12 2HB LYS 12 5.642 -10.687 2.713
58 2HB LYS 12 1HB LYS 12 3.908 -10.974 2.596
59 1HG LYS 12 2HG LYS 12 3.979 -11.130 0.226
60 2HG LYS 12 1HG LYS 12 5.592 -10.424 0.149
61 1HD LYS 12 2HD LYS 12 5.442 -12.851 1.808
62 2HD LYS 12 1HD LYS 12 5.055 -13.127 0.112
63 1HE LYS 12 2HE LYS 12 7.394 -13.373 0.112
64 2HE LYS 12 1HE LYS 12 7.222 -11.660 -0.314
65 1HZ LYS 12 1HZ LYS 12 8.727 -12.353 1.680
66 2HZ LYS 12 2HZ LYS 12 7.259 -12.435 2.526
67 3HZ LYS 12 3HZ LYS 12 7.745 -10.979 1.800
68 H SER 13 H SER 13 5.385 -6.753 2.971
69 HA SER 13 HA SER 13 3.725 -6.490 5.317
70 1HB SER 13 2HB SER 13 5.312 -8.511 5.749
71 2HB SER 13 1HB SER 13 6.573 -7.295 5.927
72 HG SER 13 HG SER 13 4.401 -7.889 7.547
73 H THR 14 H THR 14 4.750 -4.756 3.189
74 HA THR 14 HA THR 14 6.910 -3.100 4.198
75 HB THR 14 HB THR 14 6.364 -3.247 1.818
76 HG1 THR 14 1HG THR 14 6.523 -1.117 1.407
77 1HG2 THR 14 1HG2 THR 14 4.011 -1.635 1.656
78 2HG2 THR 14 2HG2 THR 14 3.678 -2.971 2.756
79 3HG2 THR 14 3HG2 THR 14 4.233 -3.296 1.115
80 H PHE 15 H PHE 15 6.591 -2.120 6.178
81 HA PHE 15 HA PHE 15 4.029 -1.211 7.160
82 1HB PHE 15 2HB PHE 15 6.807 -1.386 7.998
83 2HB PHE 15 1HB PHE 15 6.111 0.155 8.492
84 HD1 PHE 15 1HD PHE 15 4.610 -3.271 8.135
85 HD2 PHE 15 2HD PHE 15 5.523 0.015 10.751
86 HE1 PHE 15 1HE PHE 15 3.400 -4.402 9.980
87 HE2 PHE 15 2HE PHE 15 4.313 -1.118 12.596
88 HZ PHE 15 HZ PHE 15 3.251 -3.327 12.209
89 H CYS 16 H CYS 16 3.001 0.359 5.939
90 HA CYS 16 HA CYS 16 4.463 2.553 4.659
91 1HB CYS 16 2HB CYS 16 1.502 1.996 5.053
92 2HB CYS 16 1HB CYS 16 2.179 3.175 3.928
93 H CYS 17 H CYS 17 2.836 4.757 5.078
94 HA CYS 17 HA CYS 17 3.814 5.852 7.533
95 1HB CYS 17 2HB CYS 17 2.419 6.666 5.188
96 2HB CYS 17 1HB CYS 17 1.494 7.246 6.572
97 H SER 18 H SER 18 0.362 5.357 6.701
98 HA SER 18 HA SER 18 -0.277 3.974 9.166
99 1HB SER 18 2HB SER 18 -0.036 6.858 9.183
100 2HB SER 18 1HB SER 18 -1.691 6.389 9.562
101 HG SER 18 HG SER 18 -0.999 5.311 11.305
102 H GLY 19 H GLY 19 -1.587 6.244 6.741
103 1HA GLY 19 2HA GLY 19 -4.121 4.680 6.693
104 2HA GLY 19 1HA GLY 19 -3.925 6.310 6.053
105 H TYR 20 H TYR 20 -1.585 3.754 5.453
106 HA TYR 20 HA TYR 20 -2.477 3.691 2.581
107 1HB TYR 20 2HB TYR 20 0.275 3.720 3.859
108 2HB TYR 20 1HB TYR 20 0.010 3.383 2.151
109 HD1 TYR 20 1HD TYR 20 0.885 5.905 4.347
110 HD2 TYR 20 2HD TYR 20 -1.774 5.172 1.055
111 HE1 TYR 20 1HE TYR 20 0.799 8.337 3.877
112 HE2 TYR 20 2HE TYR 20 -1.862 7.605 0.585
113 HH TYR 20 HH TYR 20 -1.278 9.866 2.481
114 H ASN 21 H ASN 21 -3.166 1.649 2.040
115 HA ASN 21 HA ASN 21 -2.049 -0.709 3.529
116 1HB ASN 21 2HB ASN 21 -4.624 0.128 3.256
117 2HB ASN 21 1HB ASN 21 -4.494 -0.926 1.848
118 1HD2 ASN 21 1HD2 ASN 21 -4.310 -3.214 2.209
119 2HD2 ASN 21 2HD2 ASN 21 -4.422 -3.907 3.754
120 H CYS 22 H CYS 22 -1.903 -2.748 2.095
121 HA CYS 22 HA CYS 22 -0.570 -2.020 -0.449
122 1HB CYS 22 2HB CYS 22 -0.721 -4.344 1.414
123 2HB CYS 22 1HB CYS 22 -0.328 -4.693 -0.269
124 H SER 23 H SER 23 -1.287 -2.668 -2.500
125 HA SER 23 HA SER 23 -4.147 -3.410 -2.725
126 1HB SER 23 2HB SER 23 -2.481 -1.693 -4.065
127 2HB SER 23 1HB SER 23 -2.463 -3.088 -5.138
128 HG SER 23 HG SER 23 -4.522 -1.359 -4.466
129 HA PRO 24 HA PRO 24 -3.220 -7.638 -3.596
130 1HB PRO 24 2HB PRO 24 -5.525 -8.343 -4.882
131 2HB PRO 24 1HB PRO 24 -5.439 -8.074 -3.131
132 1HG PRO 24 2HG PRO 24 -6.485 -6.301 -5.269
133 2HG PRO 24 1HG PRO 24 -7.054 -6.529 -3.609
134 1HD PRO 24 2HD PRO 24 -5.540 -4.394 -4.465
135 2HD PRO 24 1HD PRO 24 -5.646 -4.948 -2.781
136 H THR 25 H THR 25 -4.083 -5.430 -6.209
137 HA THR 25 HA THR 25 -2.924 -7.340 -8.206
138 HB THR 25 HB THR 25 -4.700 -4.909 -8.593
139 HG1 THR 25 1HG THR 25 -6.102 -6.251 -7.776
140 1HG2 THR 25 1HG2 THR 25 -3.266 -5.672 -10.537
141 2HG2 THR 25 2HG2 THR 25 -5.002 -5.715 -10.838
142 3HG2 THR 25 3HG2 THR 25 -4.133 -7.207 -10.480
143 H TRP 26 H TRP 26 -2.654 -4.045 -6.923
144 HA TRP 26 HA TRP 26 -0.705 -3.203 -8.945
145 1HB TRP 26 2HB TRP 26 -1.459 -1.982 -6.272
146 2HB TRP 26 1HB TRP 26 -0.632 -1.169 -7.594
147 HD1 TRP 26 HD TRP 26 -2.780 -2.956 -9.619
148 HE1 TRP 26 1HE TRP 26 -5.050 -1.816 -10.037
149 HE3 TRP 26 3HE TRP 26 -2.794 0.413 -5.791
150 HZ2 TRP 26 2HZ TRP 26 -6.659 0.258 -8.905
151 HZ3 TRP 26 3HZ TRP 26 -4.703 1.960 -5.482
152 HH2 TRP 26 HH TRP 26 -6.635 1.887 -7.034
153 H LYS 27 H LYS 27 -0.568 -4.849 -5.883
154 HA LYS 27 HA LYS 27 1.245 -5.785 -4.723
155 1HB LYS 27 2HB LYS 27 1.932 -5.598 -7.461
156 2HB LYS 27 1HB LYS 27 3.357 -5.077 -6.564
157 1HG LYS 27 2HG LYS 27 1.906 -7.524 -5.631
158 2HG LYS 27 1HG LYS 27 2.930 -7.649 -7.060
159 1HD LYS 27 2HD LYS 27 4.869 -7.262 -5.880
160 2HD LYS 27 1HD LYS 27 4.065 -6.238 -4.691
161 1HE LYS 27 2HE LYS 27 4.181 -8.049 -3.309
162 2HE LYS 27 1HE LYS 27 2.872 -8.726 -4.298
163 1HZ LYS 27 1HZ LYS 27 4.777 -10.221 -4.257
164 2HZ LYS 27 2HZ LYS 27 5.782 -8.990 -4.855
165 3HZ LYS 27 3HZ LYS 27 4.532 -9.615 -5.822
166 H TRP 28 H TRP 28 0.647 -2.696 -4.650
167 HA TRP 28 HA TRP 28 3.104 -2.091 -3.094
168 1HB TRP 28 2HB TRP 28 3.405 0.065 -4.214
169 2HB TRP 28 1HB TRP 28 3.480 -1.242 -5.384
170 HD1 TRP 28 HD TRP 28 0.433 0.718 -3.960
171 HE1 TRP 28 1HE TRP 28 -0.931 1.599 -5.960
172 HE3 TRP 28 3HE TRP 28 3.349 -0.925 -7.803
173 HZ2 TRP 28 2HZ TRP 28 -0.800 1.610 -8.815
174 HZ3 TRP 28 3HZ TRP 28 2.713 -0.466 -10.153
175 HH2 TRP 28 HH TRP 28 0.644 0.800 -10.664
176 H CYS 29 H CYS 29 2.802 -0.060 -1.749
177 HA CYS 29 HA CYS 29 0.327 -0.214 -0.279
178 1HB CYS 29 2HB CYS 29 2.797 0.516 0.335
179 2HB CYS 29 1HB CYS 29 2.205 2.119 -0.101
180 H VAL 30 H VAL 30 -1.470 1.051 -0.378
181 HA VAL 30 HA VAL 30 -1.533 3.417 -2.215
182 HB VAL 30 HB VAL 30 -3.769 2.551 -2.956
183 1HG1 VAL 30 1HG1 VAL 30 -2.417 1.814 -4.608
184 2HG1 VAL 30 2HG1 VAL 30 -2.545 0.234 -3.837
185 3HG1 VAL 30 3HG1 VAL 30 -1.179 1.285 -3.473
186 1HG2 VAL 30 1HG2 VAL 30 -3.037 -0.065 -1.642
187 2HG2 VAL 30 2HG2 VAL 30 -4.603 0.456 -2.260
188 3HG2 VAL 30 3HG2 VAL 30 -3.972 1.148 -0.766
189 H TYR 31 H TYR 31 -3.866 4.509 -1.760
190 HA TYR 31 HA TYR 31 -3.899 5.420 0.955
191 1HB TYR 31 2HB TYR 31 -5.994 6.511 0.259
192 2HB TYR 31 1HB TYR 31 -4.821 6.607 -1.054
193 HD1 TYR 31 1HD TYR 31 -5.189 5.486 -3.146
194 HD2 TYR 31 2HD TYR 31 -7.829 4.797 0.174
195 HE1 TYR 31 1HE TYR 31 -6.759 4.284 -4.642
196 HE2 TYR 31 2HE TYR 31 -9.397 3.596 -1.323
197 HH TYR 31 HH TYR 31 -9.019 2.251 -3.678
198 H ALA 32 H ALA 32 -5.609 5.031 2.578
199 HA ALA 32 HA ALA 32 -6.960 2.361 2.314
200 1HB ALA 32 1HB ALA 32 -5.646 3.509 4.798
201 2HB ALA 32 2HB ALA 32 -4.835 2.394 3.697
202 3HB ALA 32 3HB ALA 32 -6.267 1.873 4.584
203 H ARG 33 H ARG 33 -8.714 2.181 4.123
204 HA ARG 33 HA ARG 33 -10.137 4.817 4.334
205 1HB ARG 33 2HB ARG 33 -10.924 2.005 3.713
206 2HB ARG 33 1HB ARG 33 -12.086 2.981 4.613
207 1HG ARG 33 2HG ARG 33 -11.894 4.755 2.870
208 2HG ARG 33 1HG ARG 33 -10.828 3.695 1.948
209 1HD ARG 33 2HD ARG 33 -12.571 2.097 1.577
210 2HD ARG 33 1HD ARG 33 -13.619 2.855 2.792
211 HE ARG 33 HE ARG 33 -14.158 4.542 1.213
212 1HH1 ARG 33 1HH2 ARG 33 -13.473 2.288 -0.797
213 2HH1 ARG 33 2HH2 ARG 33 -12.483 3.161 -1.919
214 1HH2 ARG 33 1HH1 ARG 33 -11.988 5.864 0.209
215 2HH2 ARG 33 2HH1 ARG 33 -11.642 5.189 -1.349
216 HA PRO 34 HA PRO 34 -9.893 4.355 8.718
217 1HB PRO 34 2HB PRO 34 -11.994 5.957 9.445
218 2HB PRO 34 1HB PRO 34 -10.445 6.595 8.857
219 1HG PRO 34 2HG PRO 34 -13.024 6.259 7.414
220 2HG PRO 34 1HG PRO 34 -11.830 7.562 7.306
221 1HD PRO 34 2HD PRO 34 -12.060 5.561 5.461
222 2HD PRO 34 1HD PRO 34 -10.548 6.436 5.785
Start of MODEL 17
1 1H GLY 1 1HT GLY 1 10.912 4.719 7.042
2 2H GLY 1 2HT GLY 1 11.294 3.900 5.603
3 3H GLY 1 3HT GLY 1 11.827 3.292 7.097
4 1HA GLY 1 2HA GLY 1 9.851 2.131 6.069
5 2HA GLY 1 1HA GLY 1 9.685 2.644 7.748
6 H CYS 2 H CYS 2 9.311 4.191 4.529
7 HA CYS 2 HA CYS 2 6.518 4.928 5.218
8 1HB CYS 2 2HB CYS 2 7.757 6.747 6.180
9 2HB CYS 2 1HB CYS 2 8.818 6.852 4.777
10 H GLY 3 H GLY 3 5.313 4.650 3.380
11 1HA GLY 3 2HA GLY 3 6.727 4.699 0.747
12 2HA GLY 3 1HA GLY 3 5.266 3.766 1.077
13 H GLY 4 H GLY 4 3.450 4.661 0.251
14 1HA GLY 4 2HA GLY 4 2.522 7.273 0.712
15 2HA GLY 4 1HA GLY 4 3.387 7.335 -0.823
16 H LEU 5 H LEU 5 1.917 7.257 -2.450
17 HA LEU 5 HA LEU 5 -0.475 5.483 -2.146
18 1HB LEU 5 2HB LEU 5 -0.171 8.144 -2.839
19 2HB LEU 5 1HB LEU 5 -0.360 7.355 -4.406
20 HG LEU 5 HG LEU 5 -2.215 6.340 -2.369
21 1HD1 LEU 5 1HD1 LEU 5 -1.856 8.924 -1.946
22 2HD1 LEU 5 2HD1 LEU 5 -3.482 8.246 -1.969
23 3HD1 LEU 5 3HD1 LEU 5 -2.857 9.086 -3.388
24 1HD2 LEU 5 1HD2 LEU 5 -3.769 6.483 -4.203
25 2HD2 LEU 5 2HD2 LEU 5 -2.234 5.934 -4.874
26 3HD2 LEU 5 3HD2 LEU 5 -2.729 7.614 -5.070
27 H MET 6 H MET 6 2.553 5.572 -3.691
28 HA MET 6 HA MET 6 1.752 3.358 -5.499
29 1HB MET 6 2HB MET 6 2.339 6.117 -6.261
30 2HB MET 6 1HB MET 6 3.427 4.980 -7.056
31 1HG MET 6 2HG MET 6 1.754 4.627 -8.535
32 2HG MET 6 1HG MET 6 0.953 3.731 -7.244
33 1HE MET 6 1HE MET 6 -0.763 6.954 -9.493
34 2HE MET 6 2HE MET 6 -0.880 5.197 -9.564
35 3HE MET 6 3HE MET 6 0.683 5.979 -9.788
36 H ALA 7 H ALA 7 3.440 3.721 -3.025
37 HA ALA 7 HA ALA 7 6.228 3.412 -3.930
38 1HB ALA 7 1HB ALA 7 5.013 2.966 -1.188
39 2HB ALA 7 2HB ALA 7 5.390 4.570 -1.817
40 3HB ALA 7 3HB ALA 7 6.681 3.398 -1.566
41 H GLY 8 H GLY 8 7.405 1.451 -3.852
42 1HA GLY 8 2HA GLY 8 6.040 -0.968 -4.438
43 2HA GLY 8 1HA GLY 8 7.734 -0.866 -3.959
44 H CYS 9 H CYS 9 4.961 -2.341 -3.109
45 HA CYS 9 HA CYS 9 5.674 -2.365 -0.191
46 1HB CYS 9 2HB CYS 9 3.329 -2.452 0.293
47 2HB CYS 9 1HB CYS 9 3.519 -1.193 -0.925
48 H ASP 10 H ASP 10 6.320 -4.180 -2.666
49 HA ASP 10 HA ASP 10 5.027 -6.656 -2.602
50 1HB ASP 10 2HB ASP 10 6.843 -5.931 -4.137
51 2HB ASP 10 1HB ASP 10 8.004 -6.087 -2.819
52 H GLY 11 H GLY 11 4.444 -7.635 -0.683
53 1HA GLY 11 2HA GLY 11 5.916 -9.277 0.856
54 2HA GLY 11 1HA GLY 11 6.327 -7.724 1.587
55 H LYS 12 H LYS 12 4.542 -10.196 2.343
56 HA LYS 12 HA LYS 12 1.849 -9.209 2.638
57 1HB LYS 12 2HB LYS 12 1.573 -11.188 3.990
58 2HB LYS 12 1HB LYS 12 2.700 -11.600 2.701
59 1HG LYS 12 2HG LYS 12 4.213 -10.535 4.886
60 2HG LYS 12 1HG LYS 12 3.117 -11.760 5.525
61 1HD LYS 12 2HD LYS 12 3.965 -13.430 4.035
62 2HD LYS 12 1HD LYS 12 4.837 -12.229 3.080
63 1HE LYS 12 2HE LYS 12 5.466 -12.535 6.015
64 2HE LYS 12 1HE LYS 12 6.187 -13.642 4.831
65 1HZ LYS 12 1HZ LYS 12 7.586 -11.703 5.077
66 2HZ LYS 12 2HZ LYS 12 6.281 -10.668 4.743
67 3HZ LYS 12 3HZ LYS 12 6.887 -11.695 3.532
68 H SER 13 H SER 13 4.749 -8.393 4.312
69 HA SER 13 HA SER 13 3.133 -7.081 6.470
70 1HB SER 13 2HB SER 13 4.683 -9.294 6.817
71 2HB SER 13 1HB SER 13 5.876 -8.031 7.102
72 HG SER 13 HG SER 13 4.673 -7.266 8.762
73 H THR 14 H THR 14 4.119 -5.870 3.992
74 HA THR 14 HA THR 14 6.593 -4.437 4.454
75 HB THR 14 HB THR 14 5.463 -4.881 2.237
76 HG1 THR 14 1HG THR 14 6.649 -3.280 1.649
77 1HG2 THR 14 1HG2 THR 14 3.188 -4.052 3.365
78 2HG2 THR 14 2HG2 THR 14 3.472 -3.885 1.634
79 3HG2 THR 14 3HG2 THR 14 3.715 -2.504 2.703
80 H PHE 15 H PHE 15 6.841 -2.221 5.119
81 HA PHE 15 HA PHE 15 4.575 -1.205 6.797
82 1HB PHE 15 2HB PHE 15 7.532 -1.343 7.002
83 2HB PHE 15 1HB PHE 15 6.806 0.150 7.596
84 HD1 PHE 15 1HD PHE 15 4.412 -0.418 8.899
85 HD2 PHE 15 2HD PHE 15 7.883 -2.938 8.654
86 HE1 PHE 15 1HE PHE 15 3.714 -1.582 10.975
87 HE2 PHE 15 2HE PHE 15 7.184 -4.101 10.730
88 HZ PHE 15 HZ PHE 15 5.099 -3.425 11.889
89 H CYS 16 H CYS 16 3.589 0.647 6.128
90 HA CYS 16 HA CYS 16 4.878 2.278 3.979
91 1HB CYS 16 2HB CYS 16 2.404 1.137 4.191
92 2HB CYS 16 1HB CYS 16 2.070 2.750 4.821
93 H CYS 17 H CYS 17 3.269 4.635 4.504
94 HA CYS 17 HA CYS 17 4.810 5.756 6.774
95 1HB CYS 17 2HB CYS 17 4.095 6.628 4.246
96 2HB CYS 17 1HB CYS 17 2.970 7.498 5.287
97 H SER 18 H SER 18 1.444 6.287 5.685
98 HA SER 18 HA SER 18 0.267 5.451 8.217
99 1HB SER 18 2HB SER 18 -0.396 7.795 8.867
100 2HB SER 18 1HB SER 18 1.337 7.501 8.962
101 HG SER 18 HG SER 18 -0.071 9.215 7.376
102 H GLY 19 H GLY 19 -1.806 4.856 7.700
103 1HA GLY 19 2HA GLY 19 -3.932 4.900 6.688
104 2HA GLY 19 1HA GLY 19 -3.542 6.498 6.055
105 H TYR 20 H TYR 20 -1.314 3.899 5.387
106 HA TYR 20 HA TYR 20 -2.434 3.640 2.619
107 1HB TYR 20 2HB TYR 20 0.412 4.137 3.543
108 2HB TYR 20 1HB TYR 20 0.003 3.657 1.897
109 HD1 TYR 20 1HD TYR 20 -2.292 5.122 1.114
110 HD2 TYR 20 2HD TYR 20 0.906 6.405 3.679
111 HE1 TYR 20 1HE TYR 20 -2.787 7.483 0.548
112 HE2 TYR 20 2HE TYR 20 0.409 8.768 3.114
113 HH TYR 20 HH TYR 20 -0.826 9.898 0.865
114 H ASN 21 H ASN 21 -2.618 1.519 1.983
115 HA ASN 21 HA ASN 21 -1.168 -0.564 3.591
116 1HB ASN 21 2HB ASN 21 -3.764 -0.224 3.643
117 2HB ASN 21 1HB ASN 21 -3.728 -0.987 2.054
118 1HD2 ASN 21 1HD2 ASN 21 -2.859 -1.529 5.486
119 2HD2 ASN 21 2HD2 ASN 21 -2.859 -3.222 5.381
120 H CYS 22 H CYS 22 -0.716 -2.596 2.314
121 HA CYS 22 HA CYS 22 0.355 -1.888 -0.349
122 1HB CYS 22 2HB CYS 22 1.744 -3.092 1.231
123 2HB CYS 22 1HB CYS 22 0.505 -4.329 1.444
124 H SER 23 H SER 23 -0.467 -2.639 -2.278
125 HA SER 23 HA SER 23 -2.975 -4.273 -2.169
126 1HB SER 23 2HB SER 23 -2.194 -1.855 -3.441
127 2HB SER 23 1HB SER 23 -2.384 -3.051 -4.720
128 HG SER 23 HG SER 23 -4.303 -1.772 -3.787
129 HA PRO 24 HA PRO 24 -0.569 -7.498 -4.063
130 1HB PRO 24 2HB PRO 24 -2.627 -9.202 -4.630
131 2HB PRO 24 1HB PRO 24 -1.979 -8.982 -2.993
132 1HG PRO 24 2HG PRO 24 -4.449 -7.879 -4.215
133 2HG PRO 24 1HG PRO 24 -4.153 -8.420 -2.557
134 1HD PRO 24 2HD PRO 24 -4.209 -5.786 -3.353
135 2HD PRO 24 1HD PRO 24 -3.375 -6.384 -1.904
136 H THR 25 H THR 25 -3.471 -6.190 -5.637
137 HA THR 25 HA THR 25 -2.869 -7.246 -8.280
138 HB THR 25 HB THR 25 -4.647 -4.947 -7.398
139 HG1 THR 25 1HG THR 25 -5.690 -6.482 -6.446
140 1HG2 THR 25 1HG2 THR 25 -3.997 -5.818 -9.962
141 2HG2 THR 25 2HG2 THR 25 -5.409 -4.860 -9.518
142 3HG2 THR 25 3HG2 THR 25 -5.533 -6.616 -9.622
143 H TRP 26 H TRP 26 -2.249 -4.180 -6.606
144 HA TRP 26 HA TRP 26 -0.971 -3.043 -9.046
145 1HB TRP 26 2HB TRP 26 -1.468 -1.810 -6.319
146 2HB TRP 26 1HB TRP 26 -1.106 -0.959 -7.819
147 HD1 TRP 26 HD TRP 26 -3.917 -2.592 -5.911
148 HE1 TRP 26 1HE TRP 26 -6.139 -2.222 -7.159
149 HE3 TRP 26 3HE TRP 26 -2.154 -0.641 -10.288
150 HZ2 TRP 26 2HZ TRP 26 -7.052 -1.223 -9.677
151 HZ3 TRP 26 3HZ TRP 26 -3.721 0.011 -12.092
152 HH2 TRP 26 HH TRP 26 -6.165 -0.277 -11.793
153 H LYS 27 H LYS 27 -0.143 -4.508 -6.002
154 HA LYS 27 HA LYS 27 1.934 -5.135 -5.114
155 1HB LYS 27 2HB LYS 27 2.229 -5.104 -7.825
156 2HB LYS 27 1HB LYS 27 3.479 -3.958 -7.343
157 1HG LYS 27 2HG LYS 27 4.434 -6.198 -7.392
158 2HG LYS 27 1HG LYS 27 4.344 -5.649 -5.718
159 1HD LYS 27 2HD LYS 27 2.372 -6.968 -5.309
160 2HD LYS 27 1HD LYS 27 2.203 -7.351 -7.023
161 1HE LYS 27 2HE LYS 27 4.848 -8.091 -6.040
162 2HE LYS 27 1HE LYS 27 3.560 -8.903 -5.129
163 1HZ LYS 27 1HZ LYS 27 2.510 -9.499 -7.238
164 2HZ LYS 27 2HZ LYS 27 4.079 -10.142 -7.134
165 3HZ LYS 27 3HZ LYS 27 3.782 -8.771 -8.092
166 H TRP 28 H TRP 28 0.869 -2.075 -5.171
167 HA TRP 28 HA TRP 28 3.328 -1.106 -3.783
168 1HB TRP 28 2HB TRP 28 3.105 1.070 -4.887
169 2HB TRP 28 1HB TRP 28 3.267 -0.205 -6.084
170 HD1 TRP 28 HD TRP 28 0.190 1.330 -4.261
171 HE1 TRP 28 1HE TRP 28 -1.580 1.888 -6.047
172 HE3 TRP 28 3HE TRP 28 2.676 -0.150 -8.465
173 HZ2 TRP 28 2HZ TRP 28 -1.905 1.731 -8.878
174 HZ3 TRP 28 3HZ TRP 28 1.614 0.067 -10.694
175 HH2 TRP 28 HH TRP 28 -0.671 1.004 -10.906
176 H CYS 29 H CYS 29 2.852 0.762 -2.312
177 HA CYS 29 HA CYS 29 0.619 0.180 -0.597
178 1HB CYS 29 2HB CYS 29 3.012 1.363 -0.321
179 2HB CYS 29 1HB CYS 29 2.025 2.811 -0.501
180 H VAL 30 H VAL 30 -1.388 1.123 -0.472
181 HA VAL 30 HA VAL 30 -2.003 3.496 -2.188
182 HB VAL 30 HB VAL 30 -4.061 2.329 -2.910
183 1HG1 VAL 30 1HG1 VAL 30 -1.834 0.356 -3.347
184 2HG1 VAL 30 2HG1 VAL 30 -1.717 1.986 -4.011
185 3HG1 VAL 30 3HG1 VAL 30 -3.048 0.932 -4.489
186 1HG2 VAL 30 1HG2 VAL 30 -3.513 -0.354 -2.186
187 2HG2 VAL 30 2HG2 VAL 30 -4.860 0.645 -1.642
188 3HG2 VAL 30 3HG2 VAL 30 -3.367 0.592 -0.707
189 H TYR 31 H TYR 31 -4.529 4.045 -1.535
190 HA TYR 31 HA TYR 31 -4.435 4.838 1.250
191 1HB TYR 31 2HB TYR 31 -5.956 5.342 -1.129
192 2HB TYR 31 1HB TYR 31 -7.083 4.967 0.175
193 HD1 TYR 31 1HD TYR 31 -6.525 6.119 2.503
194 HD2 TYR 31 2HD TYR 31 -5.153 7.522 -1.319
195 HE1 TYR 31 1HE TYR 31 -6.158 8.375 3.463
196 HE2 TYR 31 2HE TYR 31 -4.787 9.780 -0.358
197 HH TYR 31 HH TYR 31 -6.074 10.957 2.110
198 H ALA 32 H ALA 32 -5.360 3.850 3.037
199 HA ALA 32 HA ALA 32 -6.651 1.181 2.601
200 1HB ALA 32 1HB ALA 32 -4.495 1.518 3.946
201 2HB ALA 32 2HB ALA 32 -5.787 0.647 4.773
202 3HB ALA 32 3HB ALA 32 -5.489 2.345 5.146
203 H ARG 33 H ARG 33 -8.861 1.230 2.787
204 HA ARG 33 HA ARG 33 -10.150 2.487 5.089
205 1HB ARG 33 2HB ARG 33 -11.376 4.171 3.816
206 2HB ARG 33 1HB ARG 33 -9.651 4.389 3.532
207 1HG ARG 33 2HG ARG 33 -10.264 4.395 1.336
208 2HG ARG 33 1HG ARG 33 -10.269 2.642 1.530
209 1HD ARG 33 2HD ARG 33 -12.553 2.513 1.427
210 2HD ARG 33 1HD ARG 33 -12.773 4.005 2.359
211 HE ARG 33 HE ARG 33 -12.620 5.257 0.336
212 1HH1 ARG 33 1HH2 ARG 33 -14.088 3.026 -0.957
213 2HH1 ARG 33 2HH2 ARG 33 -13.067 2.621 -2.296
214 1HH2 ARG 33 1HH1 ARG 33 -10.288 4.269 -1.015
215 2HH2 ARG 33 2HH1 ARG 33 -10.908 3.327 -2.328
216 HA PRO 34 HA PRO 34 -13.107 -0.624 4.088
217 1HB PRO 34 2HB PRO 34 -15.308 0.368 5.381
218 2HB PRO 34 1HB PRO 34 -13.932 -0.362 6.233
219 1HG PRO 34 2HG PRO 34 -14.600 2.511 5.827
220 2HG PRO 34 1HG PRO 34 -13.930 1.698 7.250
221 1HD PRO 34 2HD PRO 34 -12.427 3.158 5.510
222 2HD PRO 34 1HD PRO 34 -11.785 1.801 6.463
Start of MODEL 18
1 1H GLY 1 1HT GLY 1 12.528 8.736 7.265
2 2H GLY 1 2HT GLY 1 12.663 7.231 6.491
3 3H GLY 1 3HT GLY 1 11.480 7.473 7.685
4 1HA GLY 1 2HA GLY 1 10.387 9.128 6.271
5 2HA GLY 1 1HA GLY 1 11.582 8.782 5.021
6 H CYS 2 H CYS 2 8.494 8.140 5.737
7 HA CYS 2 HA CYS 2 8.444 5.235 5.237
8 1HB CYS 2 2HB CYS 2 6.008 5.586 5.445
9 2HB CYS 2 1HB CYS 2 6.868 6.380 6.763
10 H GLY 3 H GLY 3 6.462 4.766 3.479
11 1HA GLY 3 2HA GLY 3 7.628 5.595 0.911
12 2HA GLY 3 1HA GLY 3 6.340 4.413 1.131
13 H GLY 4 H GLY 4 4.336 5.061 0.510
14 1HA GLY 4 2HA GLY 4 3.079 7.508 1.091
15 2HA GLY 4 1HA GLY 4 3.854 7.723 -0.479
16 H LEU 5 H LEU 5 2.627 7.161 -2.212
17 HA LEU 5 HA LEU 5 0.322 5.292 -1.767
18 1HB LEU 5 2HB LEU 5 0.464 7.909 -2.719
19 2HB LEU 5 1HB LEU 5 0.296 6.942 -4.184
20 HG LEU 5 HG LEU 5 -1.461 6.241 -1.876
21 1HD1 LEU 5 1HD1 LEU 5 -2.961 8.098 -3.298
22 2HD1 LEU 5 2HD1 LEU 5 -1.390 8.884 -3.136
23 3HD1 LEU 5 3HD1 LEU 5 -2.261 8.349 -1.699
24 1HD2 LEU 5 1HD2 LEU 5 -1.620 4.918 -3.890
25 2HD2 LEU 5 2HD2 LEU 5 -1.737 6.364 -4.894
26 3HD2 LEU 5 3HD2 LEU 5 -3.063 5.930 -3.814
27 H MET 6 H MET 6 3.364 5.038 -2.863
28 HA MET 6 HA MET 6 2.635 2.973 -4.872
29 1HB MET 6 2HB MET 6 3.159 5.446 -5.748
30 2HB MET 6 1HB MET 6 4.823 4.895 -5.564
31 1HG MET 6 2HG MET 6 4.523 3.118 -7.105
32 2HG MET 6 1HG MET 6 2.764 3.250 -7.036
33 1HE MET 6 1HE MET 6 2.554 3.603 -9.995
34 2HE MET 6 2HE MET 6 4.007 2.802 -9.402
35 3HE MET 6 3HE MET 6 4.144 4.089 -10.598
36 H ALA 7 H ALA 7 3.730 2.857 -2.142
37 HA ALA 7 HA ALA 7 6.601 2.407 -2.242
38 1HB ALA 7 1HB ALA 7 5.477 1.000 -0.081
39 2HB ALA 7 2HB ALA 7 4.392 2.363 -0.344
40 3HB ALA 7 3HB ALA 7 6.106 2.647 -0.043
41 H GLY 8 H GLY 8 7.598 0.606 -3.080
42 1HA GLY 8 2HA GLY 8 6.237 -1.551 -4.305
43 2HA GLY 8 1HA GLY 8 7.929 -1.604 -3.809
44 H CYS 9 H CYS 9 4.961 -3.027 -3.313
45 HA CYS 9 HA CYS 9 5.395 -3.690 -0.455
46 1HB CYS 9 2HB CYS 9 3.162 -3.107 -1.127
47 2HB CYS 9 1HB CYS 9 3.222 -4.209 -2.501
48 H ASP 10 H ASP 10 4.187 -5.908 -2.949
49 HA ASP 10 HA ASP 10 4.785 -8.142 -3.422
50 1HB ASP 10 2HB ASP 10 7.382 -6.609 -3.195
51 2HB ASP 10 1HB ASP 10 7.358 -8.302 -3.684
52 H GLY 11 H GLY 11 3.931 -8.212 -0.902
53 1HA GLY 11 2HA GLY 11 5.509 -10.246 0.379
54 2HA GLY 11 1HA GLY 11 5.678 -8.708 1.232
55 H LYS 12 H LYS 12 4.484 -9.238 3.069
56 HA LYS 12 HA LYS 12 1.562 -9.743 2.609
57 1HB LYS 12 2HB LYS 12 1.614 -11.233 4.517
58 2HB LYS 12 1HB LYS 12 2.903 -11.709 3.413
59 1HG LYS 12 2HG LYS 12 3.904 -9.717 5.244
60 2HG LYS 12 1HG LYS 12 3.148 -11.023 6.156
61 1HD LYS 12 2HD LYS 12 4.495 -12.677 4.928
62 2HD LYS 12 1HD LYS 12 5.242 -11.384 3.991
63 1HE LYS 12 2HE LYS 12 5.356 -11.272 7.000
64 2HE LYS 12 1HE LYS 12 6.503 -12.293 6.111
65 1HZ LYS 12 1HZ LYS 12 7.001 -10.366 4.685
66 2HZ LYS 12 2HZ LYS 12 7.405 -10.081 6.310
67 3HZ LYS 12 3HZ LYS 12 5.996 -9.398 5.650
68 H SER 13 H SER 13 3.952 -7.752 4.122
69 HA SER 13 HA SER 13 1.866 -6.041 5.287
70 1HB SER 13 2HB SER 13 3.308 -8.051 6.807
71 2HB SER 13 1HB SER 13 3.668 -6.444 7.429
72 HG SER 13 HG SER 13 1.540 -7.847 7.903
73 H THR 14 H THR 14 3.400 -5.200 3.283
74 HA THR 14 HA THR 14 6.023 -4.227 3.809
75 HB THR 14 HB THR 14 4.860 -4.369 1.596
76 HG1 THR 14 1HG THR 14 5.701 -1.731 2.215
77 1HG2 THR 14 1HG2 THR 14 3.443 -1.833 2.452
78 2HG2 THR 14 2HG2 THR 14 2.682 -3.423 2.470
79 3HG2 THR 14 3HG2 THR 14 3.227 -2.723 0.946
80 H PHE 15 H PHE 15 6.760 -2.189 4.634
81 HA PHE 15 HA PHE 15 4.903 -0.870 6.515
82 1HB PHE 15 2HB PHE 15 7.815 -1.114 6.045
83 2HB PHE 15 1HB PHE 15 7.299 0.443 6.693
84 HD1 PHE 15 1HD PHE 15 6.828 -3.240 7.206
85 HD2 PHE 15 2HD PHE 15 6.878 0.667 8.993
86 HE1 PHE 15 1HE PHE 15 6.544 -4.261 9.447
87 HE2 PHE 15 2HE PHE 15 6.595 -0.355 11.234
88 HZ PHE 15 HZ PHE 15 6.428 -2.819 11.461
89 H CYS 16 H CYS 16 3.878 1.030 6.092
90 HA CYS 16 HA CYS 16 4.828 2.703 3.783
91 1HB CYS 16 2HB CYS 16 2.005 2.062 4.711
92 2HB CYS 16 1HB CYS 16 2.416 3.090 3.339
93 H CYS 17 H CYS 17 3.018 4.829 4.170
94 HA CYS 17 HA CYS 17 4.219 6.179 6.484
95 1HB CYS 17 2HB CYS 17 2.173 6.977 4.387
96 2HB CYS 17 1HB CYS 17 2.842 8.089 5.580
97 H SER 18 H SER 18 0.804 6.541 5.645
98 HA SER 18 HA SER 18 -0.151 5.127 8.038
99 1HB SER 18 2HB SER 18 0.661 7.858 8.146
100 2HB SER 18 1HB SER 18 -1.097 7.840 8.239
101 HG SER 18 HG SER 18 0.803 6.579 9.907
102 H GLY 19 H GLY 19 -2.108 4.290 7.435
103 1HA GLY 19 2HA GLY 19 -4.316 4.287 6.556
104 2HA GLY 19 1HA GLY 19 -4.034 5.906 5.915
105 H TYR 20 H TYR 20 -1.627 3.491 5.214
106 HA TYR 20 HA TYR 20 -2.695 3.276 2.414
107 1HB TYR 20 2HB TYR 20 0.106 3.575 3.533
108 2HB TYR 20 1HB TYR 20 -0.197 3.086 1.867
109 HD1 TYR 20 1HD TYR 20 0.616 5.821 3.779
110 HD2 TYR 20 2HD TYR 20 -2.217 4.651 0.774
111 HE1 TYR 20 1HE TYR 20 0.322 8.196 3.132
112 HE2 TYR 20 2HE TYR 20 -2.514 7.024 0.126
113 HH TYR 20 HH TYR 20 -0.627 9.292 0.551
114 H ASN 21 H ASN 21 -3.024 1.194 1.723
115 HA ASN 21 HA ASN 21 -1.858 -1.037 3.353
116 1HB ASN 21 2HB ASN 21 -4.463 -0.479 2.022
117 2HB ASN 21 1HB ASN 21 -3.900 -2.148 1.948
118 1HD2 ASN 21 1HD2 ASN 21 -5.198 -3.147 3.547
119 2HD2 ASN 21 2HD2 ASN 21 -5.256 -2.642 5.166
120 H CYS 22 H CYS 22 -1.449 -3.068 2.009
121 HA CYS 22 HA CYS 22 0.079 -2.324 -0.411
122 1HB CYS 22 2HB CYS 22 1.183 -3.763 1.120
123 2HB CYS 22 1HB CYS 22 -0.249 -4.768 1.335
124 H SER 23 H SER 23 -0.579 -2.779 -2.485
125 HA SER 23 HA SER 23 -3.194 -4.189 -2.841
126 1HB SER 23 2HB SER 23 -2.315 -1.734 -3.674
127 2HB SER 23 1HB SER 23 -1.926 -2.719 -5.081
128 HG SER 23 HG SER 23 -4.054 -3.329 -5.221
129 HA PRO 24 HA PRO 24 -0.818 -7.459 -4.701
130 1HB PRO 24 2HB PRO 24 -2.922 -8.959 -5.591
131 2HB PRO 24 1HB PRO 24 -2.426 -8.905 -3.888
132 1HG PRO 24 2HG PRO 24 -4.692 -7.554 -5.242
133 2HG PRO 24 1HG PRO 24 -4.580 -8.205 -3.601
134 1HD PRO 24 2HD PRO 24 -4.386 -5.529 -4.256
135 2HD PRO 24 1HD PRO 24 -3.767 -6.258 -2.759
136 H THR 25 H THR 25 -3.442 -5.805 -6.429
137 HA THR 25 HA THR 25 -2.671 -6.707 -9.082
138 HB THR 25 HB THR 25 -4.350 -4.373 -8.104
139 HG1 THR 25 1HG THR 25 -5.062 -6.993 -8.935
140 1HG2 THR 25 1HG2 THR 25 -4.172 -3.814 -10.315
141 2HG2 THR 25 2HG2 THR 25 -5.408 -5.058 -10.494
142 3HG2 THR 25 3HG2 THR 25 -3.716 -5.448 -10.799
143 H TRP 26 H TRP 26 -2.184 -3.692 -7.242
144 HA TRP 26 HA TRP 26 -0.458 -2.559 -9.358
145 1HB TRP 26 2HB TRP 26 -1.248 -1.566 -6.599
146 2HB TRP 26 1HB TRP 26 -0.476 -0.606 -7.859
147 HD1 TRP 26 HD TRP 26 -3.808 -1.769 -6.674
148 HE1 TRP 26 1HE TRP 26 -5.645 -1.038 -8.326
149 HE3 TRP 26 3HE TRP 26 -0.913 -0.206 -10.574
150 HZ2 TRP 26 2HZ TRP 26 -5.859 0.068 -10.956
151 HZ3 TRP 26 3HZ TRP 26 -1.955 0.680 -12.640
152 HH2 TRP 26 HH TRP 26 -4.422 0.820 -12.836
153 H LYS 27 H LYS 27 -0.074 -4.513 -6.561
154 HA LYS 27 HA LYS 27 1.813 -5.355 -5.470
155 1HB LYS 27 2HB LYS 27 2.792 -4.346 -8.111
156 2HB LYS 27 1HB LYS 27 3.988 -4.853 -6.920
157 1HG LYS 27 2HG LYS 27 1.625 -6.566 -7.733
158 2HG LYS 27 1HG LYS 27 3.215 -6.684 -8.490
159 1HD LYS 27 2HD LYS 27 3.601 -8.226 -6.853
160 2HD LYS 27 1HD LYS 27 3.915 -6.802 -5.862
161 1HE LYS 27 2HE LYS 27 2.161 -7.334 -4.532
162 2HE LYS 27 1HE LYS 27 1.070 -7.276 -5.929
163 1HZ LYS 27 1HZ LYS 27 2.808 -9.572 -5.186
164 2HZ LYS 27 2HZ LYS 27 1.776 -9.508 -6.534
165 3HZ LYS 27 3HZ LYS 27 1.129 -9.499 -4.964
166 H TRP 28 H TRP 28 1.001 -2.315 -5.160
167 HA TRP 28 HA TRP 28 3.389 -1.696 -3.511
168 1HB TRP 28 2HB TRP 28 3.600 0.544 -4.459
169 2HB TRP 28 1HB TRP 28 3.745 -0.658 -5.730
170 HD1 TRP 28 HD TRP 28 0.668 1.164 -4.179
171 HE1 TRP 28 1HE TRP 28 -0.745 2.094 -6.124
172 HE3 TRP 28 3HE TRP 28 3.514 -0.328 -8.132
173 HZ2 TRP 28 2HZ TRP 28 -0.677 2.197 -8.978
174 HZ3 TRP 28 3HZ TRP 28 2.826 0.197 -10.455
175 HH2 TRP 28 HH TRP 28 0.734 1.458 -10.882
176 H CYS 29 H CYS 29 2.938 0.178 -2.003
177 HA CYS 29 HA CYS 29 0.476 -0.246 -0.597
178 1HB CYS 29 2HB CYS 29 2.923 0.760 -0.027
179 2HB CYS 29 1HB CYS 29 2.007 2.260 -0.165
180 H VAL 30 H VAL 30 -1.462 0.768 -0.753
181 HA VAL 30 HA VAL 30 -1.686 3.298 -2.346
182 HB VAL 30 HB VAL 30 -3.782 2.304 -3.302
183 1HG1 VAL 30 1HG1 VAL 30 -2.674 1.097 -4.967
184 2HG1 VAL 30 2HG1 VAL 30 -1.556 0.354 -3.822
185 3HG1 VAL 30 3HG1 VAL 30 -1.362 2.048 -4.269
186 1HG2 VAL 30 1HG2 VAL 30 -4.092 0.686 -1.363
187 2HG2 VAL 30 2HG2 VAL 30 -2.812 -0.296 -2.077
188 3HG2 VAL 30 3HG2 VAL 30 -4.311 -0.021 -2.963
189 H TYR 31 H TYR 31 -4.071 4.188 -1.921
190 HA TYR 31 HA TYR 31 -4.330 4.795 0.857
191 1HB TYR 31 2HB TYR 31 -5.208 5.978 -1.271
192 2HB TYR 31 1HB TYR 31 -6.569 4.860 -1.172
193 HD1 TYR 31 1HD TYR 31 -4.811 7.642 0.508
194 HD2 TYR 31 2HD TYR 31 -8.216 5.023 0.602
195 HE1 TYR 31 1HE TYR 31 -5.869 9.079 2.229
196 HE2 TYR 31 2HE TYR 31 -9.274 6.460 2.322
197 HH TYR 31 HH TYR 31 -7.940 8.357 4.206
198 H ALA 32 H ALA 32 -5.471 3.791 2.503
199 HA ALA 32 HA ALA 32 -6.807 1.191 1.862
200 1HB ALA 32 1HB ALA 32 -5.897 2.311 4.529
201 2HB ALA 32 2HB ALA 32 -4.837 1.396 3.456
202 3HB ALA 32 3HB ALA 32 -6.268 0.630 4.146
203 H ARG 33 H ARG 33 -8.863 0.711 2.908
204 HA ARG 33 HA ARG 33 -10.350 3.060 4.016
205 1HB ARG 33 2HB ARG 33 -10.579 1.941 1.412
206 2HB ARG 33 1HB ARG 33 -12.024 1.455 2.298
207 1HG ARG 33 2HG ARG 33 -11.013 4.307 2.265
208 2HG ARG 33 1HG ARG 33 -12.178 3.695 1.093
209 1HD ARG 33 2HD ARG 33 -13.246 2.844 3.512
210 2HD ARG 33 1HD ARG 33 -12.603 4.453 3.894
211 HE ARG 33 HE ARG 33 -13.940 5.357 2.026
212 1HH1 ARG 33 1HH2 ARG 33 -16.007 4.153 3.781
213 2HH1 ARG 33 2HH2 ARG 33 -16.907 3.159 2.687
214 1HH2 ARG 33 1HH1 ARG 33 -14.448 3.176 0.231
215 2HH2 ARG 33 2HH1 ARG 33 -16.023 2.605 0.670
216 HA PRO 34 HA PRO 34 -11.366 -0.264 6.856
217 1HB PRO 34 2HB PRO 34 -12.907 1.255 8.539
218 2HB PRO 34 1HB PRO 34 -11.131 1.272 8.571
219 1HG PRO 34 2HG PRO 34 -13.019 3.206 7.313
220 2HG PRO 34 1HG PRO 34 -11.521 3.512 8.208
221 1HD PRO 34 2HD PRO 34 -11.658 3.595 5.501
222 2HD PRO 34 1HD PRO 34 -10.189 3.111 6.380
Start of MODEL 19
1 1H GLY 1 1HT GLY 1 11.380 4.488 5.596
2 2H GLY 1 2HT GLY 1 11.843 4.096 7.183
3 3H GLY 1 3HT GLY 1 10.858 5.448 6.893
4 1HA GLY 1 2HA GLY 1 9.981 2.729 6.140
5 2HA GLY 1 1HA GLY 1 9.736 3.351 7.771
6 H CYS 2 H CYS 2 9.306 4.468 4.389
7 HA CYS 2 HA CYS 2 6.504 5.203 4.983
8 1HB CYS 2 2HB CYS 2 8.430 7.017 5.556
9 2HB CYS 2 1HB CYS 2 8.173 7.394 3.853
10 H GLY 3 H GLY 3 5.439 4.449 3.195
11 1HA GLY 3 2HA GLY 3 6.854 4.283 0.600
12 2HA GLY 3 1HA GLY 3 5.318 3.508 0.988
13 H GLY 4 H GLY 4 3.389 4.674 0.691
14 1HA GLY 4 2HA GLY 4 2.630 7.202 0.540
15 2HA GLY 4 1HA GLY 4 3.684 7.189 -0.873
16 H LEU 5 H LEU 5 2.345 7.200 -2.625
17 HA LEU 5 HA LEU 5 -0.073 5.438 -2.607
18 1HB LEU 5 2HB LEU 5 0.463 8.107 -3.375
19 2HB LEU 5 1HB LEU 5 0.195 7.222 -4.877
20 HG LEU 5 HG LEU 5 -1.927 8.113 -3.988
21 1HD1 LEU 5 1HD1 LEU 5 -1.892 5.945 -5.224
22 2HD1 LEU 5 2HD1 LEU 5 -3.206 6.032 -4.051
23 3HD1 LEU 5 3HD1 LEU 5 -1.755 5.099 -3.684
24 1HD2 LEU 5 1HD2 LEU 5 -2.750 7.591 -1.843
25 2HD2 LEU 5 2HD2 LEU 5 -1.036 7.880 -1.551
26 3HD2 LEU 5 3HD2 LEU 5 -1.647 6.229 -1.649
27 H MET 6 H MET 6 3.118 5.442 -3.759
28 HA MET 6 HA MET 6 2.455 3.309 -5.729
29 1HB MET 6 2HB MET 6 2.854 5.894 -6.517
30 2HB MET 6 1HB MET 6 4.507 5.280 -6.573
31 1HG MET 6 2HG MET 6 4.056 3.831 -8.295
32 2HG MET 6 1HG MET 6 2.406 3.532 -7.749
33 1HE MET 6 1HE MET 6 0.171 5.129 -9.151
34 2HE MET 6 2HE MET 6 0.581 6.657 -8.378
35 3HE MET 6 3HE MET 6 0.807 5.147 -7.501
36 H ALA 7 H ALA 7 3.663 3.222 -3.059
37 HA ALA 7 HA ALA 7 6.556 3.008 -3.270
38 1HB ALA 7 1HB ALA 7 6.385 2.599 -1.005
39 2HB ALA 7 2HB ALA 7 4.983 1.545 -1.196
40 3HB ALA 7 3HB ALA 7 4.787 3.297 -1.267
41 H GLY 8 H GLY 8 7.168 0.582 -2.114
42 1HA GLY 8 2HA GLY 8 6.178 -1.424 -4.105
43 2HA GLY 8 1HA GLY 8 7.874 -1.336 -3.628
44 H CYS 9 H CYS 9 4.710 -2.428 -2.715
45 HA CYS 9 HA CYS 9 5.284 -3.071 0.043
46 1HB CYS 9 2HB CYS 9 3.245 -4.090 -1.959
47 2HB CYS 9 1HB CYS 9 3.180 -4.411 -0.226
48 H ASP 10 H ASP 10 4.479 -5.515 -2.415
49 HA ASP 10 HA ASP 10 5.324 -7.692 -2.747
50 1HB ASP 10 2HB ASP 10 7.117 -6.062 -3.564
51 2HB ASP 10 1HB ASP 10 7.949 -6.358 -2.037
52 H GLY 11 H GLY 11 4.194 -7.744 -0.321
53 1HA GLY 11 2HA GLY 11 5.156 -9.793 1.145
54 2HA GLY 11 1HA GLY 11 6.173 -8.479 1.740
55 H LYS 12 H LYS 12 3.829 -10.125 2.925
56 HA LYS 12 HA LYS 12 1.703 -8.202 3.428
57 1HB LYS 12 2HB LYS 12 0.921 -9.941 4.965
58 2HB LYS 12 1HB LYS 12 1.484 -10.688 3.472
59 1HG LYS 12 2HG LYS 12 3.706 -10.433 5.281
60 2HG LYS 12 1HG LYS 12 2.370 -11.220 6.121
61 1HD LYS 12 2HD LYS 12 2.267 -12.987 4.563
62 2HD LYS 12 1HD LYS 12 3.165 -12.083 3.344
63 1HE LYS 12 2HE LYS 12 4.427 -12.854 5.989
64 2HE LYS 12 1HE LYS 12 4.480 -13.922 4.573
65 1HZ LYS 12 1HZ LYS 12 5.423 -11.103 4.698
66 2HZ LYS 12 2HZ LYS 12 5.345 -12.028 3.275
67 3HZ LYS 12 3HZ LYS 12 6.393 -12.485 4.533
68 H SER 13 H SER 13 4.886 -8.438 4.624
69 HA SER 13 HA SER 13 4.204 -7.200 7.250
70 1HB SER 13 2HB SER 13 6.325 -8.883 6.115
71 2HB SER 13 1HB SER 13 6.951 -7.561 7.095
72 HG SER 13 HG SER 13 6.030 -8.398 8.828
73 H THR 14 H THR 14 4.765 -6.127 4.153
74 HA THR 14 HA THR 14 6.751 -4.076 4.503
75 HB THR 14 HB THR 14 5.821 -5.088 2.359
76 HG1 THR 14 1HG THR 14 6.844 -3.392 1.701
77 1HG2 THR 14 1HG2 THR 14 3.384 -4.513 3.335
78 2HG2 THR 14 2HG2 THR 14 3.704 -4.614 1.603
79 3HG2 THR 14 3HG2 THR 14 3.655 -3.042 2.401
80 H PHE 15 H PHE 15 6.475 -1.853 5.015
81 HA PHE 15 HA PHE 15 3.790 -1.107 6.133
82 1HB PHE 15 2HB PHE 15 6.149 -1.507 7.498
83 2HB PHE 15 1HB PHE 15 6.187 0.233 7.212
84 HD1 PHE 15 1HD PHE 15 4.106 -2.530 8.591
85 HD2 PHE 15 2HD PHE 15 4.750 1.713 8.400
86 HE1 PHE 15 1HE PHE 15 2.437 -2.196 10.395
87 HE2 PHE 15 2HE PHE 15 3.081 2.047 10.204
88 HZ PHE 15 HZ PHE 15 1.925 0.092 11.201
89 H CYS 16 H CYS 16 2.914 0.658 5.172
90 HA CYS 16 HA CYS 16 4.499 2.239 3.247
91 1HB CYS 16 2HB CYS 16 1.597 2.487 4.100
92 2HB CYS 16 1HB CYS 16 2.314 3.069 2.598
93 H CYS 17 H CYS 17 3.005 4.710 3.614
94 HA CYS 17 HA CYS 17 4.625 5.927 5.723
95 1HB CYS 17 2HB CYS 17 2.724 6.766 3.567
96 2HB CYS 17 1HB CYS 17 3.017 7.906 4.880
97 H SER 18 H SER 18 1.295 6.962 5.359
98 HA SER 18 HA SER 18 0.554 5.795 8.006
99 1HB SER 18 2HB SER 18 1.030 8.631 7.252
100 2HB SER 18 1HB SER 18 -0.404 8.330 8.228
101 HG SER 18 HG SER 18 2.307 7.930 8.818
102 H GLY 19 H GLY 19 -1.436 4.864 7.750
103 1HA GLY 19 2HA GLY 19 -3.657 4.549 7.042
104 2HA GLY 19 1HA GLY 19 -3.651 6.223 6.487
105 H TYR 20 H TYR 20 -1.373 3.718 5.430
106 HA TYR 20 HA TYR 20 -2.651 3.788 2.712
107 1HB TYR 20 2HB TYR 20 0.205 4.171 3.620
108 2HB TYR 20 1HB TYR 20 -0.141 3.601 1.989
109 HD1 TYR 20 1HD TYR 20 -2.486 5.057 1.147
110 HD2 TYR 20 2HD TYR 20 0.814 6.418 3.533
111 HE1 TYR 20 1HE TYR 20 -2.924 7.383 0.422
112 HE2 TYR 20 2HE TYR 20 0.375 8.748 2.809
113 HH TYR 20 HH TYR 20 -2.463 9.726 1.376
114 H ASN 21 H ASN 21 -3.235 1.718 2.166
115 HA ASN 21 HA ASN 21 -1.851 -0.593 3.448
116 1HB ASN 21 2HB ASN 21 -4.486 0.024 3.042
117 2HB ASN 21 1HB ASN 21 -4.164 -0.965 1.619
118 1HD2 ASN 21 1HD2 ASN 21 -5.800 -1.634 4.073
119 2HD2 ASN 21 2HD2 ASN 21 -5.116 -3.061 4.687
120 H CYS 22 H CYS 22 -2.083 -2.562 1.574
121 HA CYS 22 HA CYS 22 -0.534 -1.498 -0.772
122 1HB CYS 22 2HB CYS 22 -0.316 -3.996 0.911
123 2HB CYS 22 1HB CYS 22 0.422 -3.902 -0.688
124 H SER 23 H SER 23 -1.232 -2.128 -2.816
125 HA SER 23 HA SER 23 -3.843 -3.479 -3.011
126 1HB SER 23 2HB SER 23 -2.870 -1.432 -4.334
127 2HB SER 23 1HB SER 23 -2.081 -2.665 -5.314
128 HG SER 23 HG SER 23 -3.979 -3.315 -6.050
129 HA PRO 24 HA PRO 24 -2.068 -7.460 -3.741
130 1HB PRO 24 2HB PRO 24 -4.251 -8.660 -4.884
131 2HB PRO 24 1HB PRO 24 -4.117 -8.343 -3.143
132 1HG PRO 24 2HG PRO 24 -5.587 -6.816 -5.236
133 2HG PRO 24 1HG PRO 24 -6.061 -7.197 -3.573
134 1HD PRO 24 2HD PRO 24 -5.098 -4.769 -4.321
135 2HD PRO 24 1HD PRO 24 -4.880 -5.443 -2.691
136 H THR 25 H THR 25 -3.531 -5.554 -6.324
137 HA THR 25 HA THR 25 -2.179 -7.232 -8.392
138 HB THR 25 HB THR 25 -4.161 -4.955 -8.696
139 HG1 THR 25 1HG THR 25 -4.613 -7.757 -8.604
140 1HG2 THR 25 1HG2 THR 25 -3.388 -7.223 -10.551
141 2HG2 THR 25 2HG2 THR 25 -2.834 -5.555 -10.708
142 3HG2 THR 25 3HG2 THR 25 -4.545 -5.939 -10.903
143 H TRP 26 H TRP 26 -2.321 -3.896 -7.161
144 HA TRP 26 HA TRP 26 -0.438 -2.875 -9.158
145 1HB TRP 26 2HB TRP 26 -1.368 -1.668 -6.534
146 2HB TRP 26 1HB TRP 26 -0.677 -0.811 -7.903
147 HD1 TRP 26 HD TRP 26 -2.474 -2.728 -9.992
148 HE1 TRP 26 1HE TRP 26 -4.919 -2.011 -10.359
149 HE3 TRP 26 3HE TRP 26 -3.164 0.222 -5.881
150 HZ2 TRP 26 2HZ TRP 26 -6.906 -0.400 -9.089
151 HZ3 TRP 26 3HZ TRP 26 -5.342 1.337 -5.485
152 HH2 TRP 26 HH TRP 26 -7.213 1.029 -7.084
153 H LYS 27 H LYS 27 -0.159 -4.373 -6.022
154 HA LYS 27 HA LYS 27 1.720 -4.987 -4.760
155 1HB LYS 27 2HB LYS 27 2.642 -4.555 -7.532
156 2HB LYS 27 1HB LYS 27 3.919 -4.482 -6.319
157 1HG LYS 27 2HG LYS 27 1.948 -6.705 -6.075
158 2HG LYS 27 1HG LYS 27 3.105 -6.801 -7.403
159 1HD LYS 27 2HD LYS 27 4.621 -5.991 -5.179
160 2HD LYS 27 1HD LYS 27 3.538 -7.242 -4.565
161 1HE LYS 27 2HE LYS 27 5.141 -8.667 -5.391
162 2HE LYS 27 1HE LYS 27 4.340 -8.359 -6.945
163 1HZ LYS 27 1HZ LYS 27 6.751 -7.879 -7.002
164 2HZ LYS 27 2HZ LYS 27 6.525 -6.686 -5.814
165 3HZ LYS 27 3HZ LYS 27 5.804 -6.515 -7.344
166 H TRP 28 H TRP 28 0.909 -1.863 -5.225
167 HA TRP 28 HA TRP 28 3.303 -0.912 -3.690
168 1HB TRP 28 2HB TRP 28 3.110 1.234 -4.849
169 2HB TRP 28 1HB TRP 28 3.293 -0.068 -6.013
170 HD1 TRP 28 HD TRP 28 0.185 1.536 -4.304
171 HE1 TRP 28 1HE TRP 28 -1.523 2.083 -6.154
172 HE3 TRP 28 3HE TRP 28 2.778 -0.056 -8.399
173 HZ2 TRP 28 2HZ TRP 28 -1.760 1.877 -8.993
174 HZ3 TRP 28 3HZ TRP 28 1.791 0.131 -10.664
175 HH2 TRP 28 HH TRP 28 -0.473 1.096 -10.967
176 H CYS 29 H CYS 29 2.824 0.906 -2.206
177 HA CYS 29 HA CYS 29 0.521 0.399 -0.584
178 1HB CYS 29 2HB CYS 29 2.551 2.635 -0.727
179 2HB CYS 29 1HB CYS 29 1.315 2.557 0.529
180 H VAL 30 H VAL 30 -1.451 1.384 -0.478
181 HA VAL 30 HA VAL 30 -2.024 3.783 -2.167
182 HB VAL 30 HB VAL 30 -4.133 2.598 -2.875
183 1HG1 VAL 30 1HG1 VAL 30 -1.681 2.472 -3.994
184 2HG1 VAL 30 2HG1 VAL 30 -3.094 1.686 -4.694
185 3HG1 VAL 30 3HG1 VAL 30 -1.962 0.754 -3.715
186 1HG2 VAL 30 1HG2 VAL 30 -2.770 0.171 -1.657
187 2HG2 VAL 30 2HG2 VAL 30 -4.305 0.182 -2.525
188 3HG2 VAL 30 3HG2 VAL 30 -4.171 0.989 -0.963
189 H TYR 31 H TYR 31 -4.508 4.405 -1.549
190 HA TYR 31 HA TYR 31 -4.536 5.136 1.212
191 1HB TYR 31 2HB TYR 31 -6.511 5.013 -1.051
192 2HB TYR 31 1HB TYR 31 -7.108 5.366 0.570
193 HD1 TYR 31 1HD TYR 31 -5.577 6.730 -2.357
194 HD2 TYR 31 2HD TYR 31 -5.875 7.235 1.899
195 HE1 TYR 31 1HE TYR 31 -4.802 9.075 -2.582
196 HE2 TYR 31 2HE TYR 31 -5.099 9.580 1.674
197 HH TYR 31 HH TYR 31 -3.517 10.774 -0.714
198 H ALA 32 H ALA 32 -5.251 4.048 3.026
199 HA ALA 32 HA ALA 32 -6.030 1.212 2.722
200 1HB ALA 32 1HB ALA 32 -5.525 1.114 5.072
201 2HB ALA 32 2HB ALA 32 -5.669 2.863 5.239
202 3HB ALA 32 3HB ALA 32 -4.312 2.171 4.349
203 H ARG 33 H ARG 33 -8.193 0.942 2.252
204 HA ARG 33 HA ARG 33 -10.180 1.945 4.200
205 1HB ARG 33 2HB ARG 33 -9.721 3.691 2.372
206 2HB ARG 33 1HB ARG 33 -10.467 2.558 1.247
207 1HG ARG 33 2HG ARG 33 -12.238 3.986 1.927
208 2HG ARG 33 1HG ARG 33 -12.460 2.515 2.875
209 1HD ARG 33 2HD ARG 33 -11.776 3.526 4.860
210 2HD ARG 33 1HD ARG 33 -10.768 4.723 4.020
211 HE ARG 33 HE ARG 33 -12.728 6.024 3.581
212 1HH1 ARG 33 1HH1 ARG 33 -13.384 4.740 6.347
213 2HH1 ARG 33 2HH1 ARG 33 -15.047 4.321 6.097
214 1HH2 ARG 33 1HH2 ARG 33 -14.901 4.714 2.648
215 2HH2 ARG 33 2HH2 ARG 33 -15.907 4.306 3.997
216 HA PRO 34 HA PRO 34 -10.987 -2.211 2.189
217 1HB PRO 34 2HB PRO 34 -10.951 -3.692 4.492
218 2HB PRO 34 1HB PRO 34 -9.497 -3.371 3.526
219 1HG PRO 34 2HG PRO 34 -10.426 -2.074 6.035
220 2HG PRO 34 1HG PRO 34 -8.786 -2.498 5.521
221 1HD PRO 34 2HD PRO 34 -9.806 0.036 5.402
222 2HD PRO 34 1HD PRO 34 -8.520 -0.565 4.332
Start of MODEL 20
1 1H GLY 1 1HT GLY 1 11.795 5.415 1.638
2 2H GLY 1 2HT GLY 1 12.507 6.141 0.277
3 3H GLY 1 3HT GLY 1 11.657 4.679 0.115
4 1HA GLY 1 2HA GLY 1 10.597 7.394 0.591
5 2HA GLY 1 1HA GLY 1 10.157 6.248 -0.675
6 H CYS 2 H CYS 2 8.860 7.617 1.919
7 HA CYS 2 HA CYS 2 7.825 5.347 3.428
8 1HB CYS 2 2HB CYS 2 8.162 7.832 4.086
9 2HB CYS 2 1HB CYS 2 6.641 8.123 3.243
10 H GLY 3 H GLY 3 5.434 4.863 3.515
11 1HA GLY 3 2HA GLY 3 4.357 4.126 1.010
12 2HA GLY 3 1HA GLY 3 3.407 4.277 2.486
13 H GLY 4 H GLY 4 3.697 5.448 -0.602
14 1HA GLY 4 2HA GLY 4 2.095 7.868 0.091
15 2HA GLY 4 1HA GLY 4 3.466 8.029 -1.008
16 H LEU 5 H LEU 5 0.973 5.483 -0.742
17 HA LEU 5 HA LEU 5 -0.622 4.713 -2.287
18 1HB LEU 5 2HB LEU 5 -0.460 7.498 -2.583
19 2HB LEU 5 1HB LEU 5 -0.398 6.862 -4.227
20 HG LEU 5 HG LEU 5 -2.417 5.786 -2.276
21 1HD1 LEU 5 1HD1 LEU 5 -2.547 8.372 -3.835
22 2HD1 LEU 5 2HD1 LEU 5 -2.873 8.115 -2.120
23 3HD1 LEU 5 3HD1 LEU 5 -4.001 7.508 -3.333
24 1HD2 LEU 5 1HD2 LEU 5 -3.543 5.966 -4.781
25 2HD2 LEU 5 2HD2 LEU 5 -2.722 4.537 -4.153
26 3HD2 LEU 5 3HD2 LEU 5 -1.846 5.683 -5.167
27 H MET 6 H MET 6 2.635 5.177 -3.071
28 HA MET 6 HA MET 6 2.403 3.282 -5.333
29 1HB MET 6 2HB MET 6 2.767 6.130 -5.591
30 2HB MET 6 1HB MET 6 4.218 5.307 -6.165
31 1HG MET 6 2HG MET 6 2.912 3.938 -7.682
32 2HG MET 6 1HG MET 6 1.405 4.576 -7.024
33 1HE MET 6 1HE MET 6 1.523 4.758 -10.078
34 2HE MET 6 2HE MET 6 3.232 4.400 -9.849
35 3HE MET 6 3HE MET 6 2.755 5.819 -10.777
36 H ALA 7 H ALA 7 3.572 3.376 -2.528
37 HA ALA 7 HA ALA 7 6.494 3.282 -2.978
38 1HB ALA 7 1HB ALA 7 5.646 4.312 -0.962
39 2HB ALA 7 2HB ALA 7 6.421 2.800 -0.490
40 3HB ALA 7 3HB ALA 7 4.662 2.896 -0.592
41 H GLY 8 H GLY 8 7.711 1.374 -2.966
42 1HA GLY 8 2HA GLY 8 6.557 -1.064 -3.826
43 2HA GLY 8 1HA GLY 8 8.171 -0.921 -3.132
44 H CYS 9 H CYS 9 5.263 -2.431 -2.694
45 HA CYS 9 HA CYS 9 5.695 -2.666 0.269
46 1HB CYS 9 2HB CYS 9 3.310 -2.745 0.509
47 2HB CYS 9 1HB CYS 9 3.640 -1.416 -0.600
48 H ASP 10 H ASP 10 6.770 -4.360 -2.019
49 HA ASP 10 HA ASP 10 5.431 -6.807 -2.376
50 1HB ASP 10 2HB ASP 10 7.447 -6.256 -3.571
51 2HB ASP 10 1HB ASP 10 8.364 -6.091 -2.073
52 H GLY 11 H GLY 11 4.534 -8.011 -0.744
53 1HA GLY 11 2HA GLY 11 5.561 -9.697 1.008
54 2HA GLY 11 1HA GLY 11 5.936 -8.201 1.870
55 H LYS 12 H LYS 12 3.923 -10.547 2.266
56 HA LYS 12 HA LYS 12 1.276 -9.382 2.116
57 1HB LYS 12 2HB LYS 12 0.660 -11.373 3.385
58 2HB LYS 12 1HB LYS 12 1.860 -11.817 2.172
59 1HG LYS 12 2HG LYS 12 3.361 -11.056 4.419
60 2HG LYS 12 1HG LYS 12 2.024 -12.003 5.070
61 1HD LYS 12 2HD LYS 12 2.819 -13.932 4.191
62 2HD LYS 12 1HD LYS 12 3.189 -13.173 2.643
63 1HE LYS 12 2HE LYS 12 4.937 -12.370 4.916
64 2HE LYS 12 1HE LYS 12 5.125 -14.035 4.339
65 1HZ LYS 12 1HZ LYS 12 5.763 -11.556 3.007
66 2HZ LYS 12 2HZ LYS 12 4.866 -12.625 2.038
67 3HZ LYS 12 3HZ LYS 12 6.343 -13.120 2.712
68 H SER 13 H SER 13 3.885 -8.701 4.219
69 HA SER 13 HA SER 13 2.015 -7.372 6.135
70 1HB SER 13 2HB SER 13 2.941 -9.693 6.837
71 2HB SER 13 1HB SER 13 4.488 -8.873 7.016
72 HG SER 13 HG SER 13 3.749 -7.853 8.723
73 H THR 14 H THR 14 3.351 -6.036 4.070
74 HA THR 14 HA THR 14 5.927 -4.970 4.940
75 HB THR 14 HB THR 14 5.060 -5.232 2.569
76 HG1 THR 14 1HG THR 14 6.491 -3.779 2.145
77 1HG2 THR 14 1HG2 THR 14 3.201 -4.162 1.865
78 2HG2 THR 14 2HG2 THR 14 3.704 -2.642 2.603
79 3HG2 THR 14 3HG2 THR 14 2.861 -3.854 3.567
80 H PHE 15 H PHE 15 5.929 -2.322 4.818
81 HA PHE 15 HA PHE 15 3.768 -1.324 6.643
82 1HB PHE 15 2HB PHE 15 6.700 -1.561 6.991
83 2HB PHE 15 1HB PHE 15 6.013 -0.017 7.493
84 HD1 PHE 15 1HD PHE 15 3.521 -0.455 8.674
85 HD2 PHE 15 2HD PHE 15 6.921 -3.079 8.737
86 HE1 PHE 15 1HE PHE 15 2.668 -1.510 10.749
87 HE2 PHE 15 2HE PHE 15 6.067 -4.134 10.814
88 HZ PHE 15 HZ PHE 15 3.940 -3.349 11.819
89 H CYS 16 H CYS 16 3.241 0.882 6.373
90 HA CYS 16 HA CYS 16 4.601 2.334 4.120
91 1HB CYS 16 2HB CYS 16 1.645 2.049 4.768
92 2HB CYS 16 1HB CYS 16 2.291 3.083 3.493
93 H CYS 17 H CYS 17 3.089 4.719 4.353
94 HA CYS 17 HA CYS 17 4.326 5.917 6.708
95 1HB CYS 17 2HB CYS 17 3.218 6.710 4.194
96 2HB CYS 17 1HB CYS 17 2.417 7.641 5.458
97 H SER 18 H SER 18 0.928 6.375 5.736
98 HA SER 18 HA SER 18 -0.072 5.332 8.305
99 1HB SER 18 2HB SER 18 -1.003 7.587 8.907
100 2HB SER 18 1HB SER 18 0.757 7.541 8.913
101 HG SER 18 HG SER 18 -0.958 8.973 7.354
102 H GLY 19 H GLY 19 -1.987 4.358 7.793
103 1HA GLY 19 2HA GLY 19 -4.121 4.038 6.858
104 2HA GLY 19 1HA GLY 19 -4.055 5.699 6.273
105 H TYR 20 H TYR 20 -1.588 3.291 5.477
106 HA TYR 20 HA TYR 20 -2.629 3.272 2.658
107 1HB TYR 20 2HB TYR 20 0.215 3.394 3.719
108 2HB TYR 20 1HB TYR 20 -0.204 3.234 2.016
109 HD1 TYR 20 1HD TYR 20 1.193 5.529 3.862
110 HD2 TYR 20 2HD TYR 20 -2.564 5.061 1.840
111 HE1 TYR 20 1HE TYR 20 0.977 7.992 3.693
112 HE2 TYR 20 2HE TYR 20 -2.780 7.525 1.671
113 HH TYR 20 HH TYR 20 -0.633 9.566 1.748
114 H ASN 21 H ASN 21 -2.900 1.226 1.814
115 HA ASN 21 HA ASN 21 -1.769 -1.088 3.357
116 1HB ASN 21 2HB ASN 21 -4.347 -0.511 2.923
117 2HB ASN 21 1HB ASN 21 -4.022 -1.342 1.402
118 1HD2 ASN 21 1HD2 ASN 21 -4.598 -1.809 4.796
119 2HD2 ASN 21 2HD2 ASN 21 -4.367 -3.490 4.816
120 H CYS 22 H CYS 22 -1.062 -2.952 2.029
121 HA CYS 22 HA CYS 22 0.300 -2.057 -0.439
122 1HB CYS 22 2HB CYS 22 1.562 -3.298 1.191
123 2HB CYS 22 1HB CYS 22 0.335 -4.561 1.265
124 H SER 23 H SER 23 -0.249 -2.714 -2.495
125 HA SER 23 HA SER 23 -2.699 -4.398 -2.804
126 1HB SER 23 2HB SER 23 -1.351 -2.188 -4.303
127 2HB SER 23 1HB SER 23 -2.273 -3.359 -5.243
128 HG SER 23 HG SER 23 -3.977 -2.341 -4.587
129 HA PRO 24 HA PRO 24 0.080 -7.592 -4.203
130 1HB PRO 24 2HB PRO 24 -1.841 -9.381 -4.976
131 2HB PRO 24 1HB PRO 24 -1.397 -9.109 -3.280
132 1HG PRO 24 2HG PRO 24 -3.727 -8.079 -4.815
133 2HG PRO 24 1HG PRO 24 -3.634 -8.626 -3.134
134 1HD PRO 24 2HD PRO 24 -3.673 -5.997 -3.876
135 2HD PRO 24 1HD PRO 24 -2.924 -6.590 -2.377
136 H THR 25 H THR 25 -2.509 -6.207 -6.159
137 HA THR 25 HA THR 25 -1.539 -7.383 -8.670
138 HB THR 25 HB THR 25 -3.575 -5.209 -8.078
139 HG1 THR 25 1HG THR 25 -4.563 -6.872 -7.253
140 1HG2 THR 25 1HG2 THR 25 -4.487 -5.822 -10.293
141 2HG2 THR 25 2HG2 THR 25 -3.156 -6.956 -10.521
142 3HG2 THR 25 3HG2 THR 25 -2.832 -5.225 -10.423
143 H TRP 26 H TRP 26 -1.348 -4.252 -7.007
144 HA TRP 26 HA TRP 26 0.151 -3.054 -9.276
145 1HB TRP 26 2HB TRP 26 -0.704 -1.914 -6.596
146 2HB TRP 26 1HB TRP 26 -0.132 -0.998 -7.985
147 HD1 TRP 26 HD TRP 26 -1.953 -3.125 -9.933
148 HE1 TRP 26 1HE TRP 26 -4.439 -2.514 -10.194
149 HE3 TRP 26 3HE TRP 26 -2.516 0.009 -5.945
150 HZ2 TRP 26 2HZ TRP 26 -6.410 -0.901 -8.890
151 HZ3 TRP 26 3HZ TRP 26 -4.705 1.071 -5.477
152 HH2 TRP 26 HH TRP 26 -6.652 0.620 -6.945
153 H LYS 27 H LYS 27 0.819 -4.700 -6.332
154 HA LYS 27 HA LYS 27 2.832 -5.207 -5.248
155 1HB LYS 27 2HB LYS 27 3.488 -4.414 -7.978
156 2HB LYS 27 1HB LYS 27 4.810 -4.073 -6.862
157 1HG LYS 27 2HG LYS 27 3.370 -6.736 -6.966
158 2HG LYS 27 1HG LYS 27 4.844 -6.398 -7.873
159 1HD LYS 27 2HD LYS 27 6.163 -6.490 -6.016
160 2HD LYS 27 1HD LYS 27 4.965 -5.676 -5.008
161 1HE LYS 27 2HE LYS 27 4.855 -7.808 -4.085
162 2HE LYS 27 1HE LYS 27 3.656 -8.001 -5.379
163 1HZ LYS 27 1HZ LYS 27 5.433 -8.760 -6.849
164 2HZ LYS 27 2HZ LYS 27 5.310 -9.763 -5.484
165 3HZ LYS 27 3HZ LYS 27 6.561 -8.617 -5.590
166 H TRP 28 H TRP 28 1.553 -2.221 -5.244
167 HA TRP 28 HA TRP 28 3.776 -1.176 -3.547
168 1HB TRP 28 2HB TRP 28 3.525 1.034 -4.546
169 2HB TRP 28 1HB TRP 28 3.853 -0.144 -5.806
170 HD1 TRP 28 HD TRP 28 0.522 1.013 -4.147
171 HE1 TRP 28 1HE TRP 28 -1.120 1.625 -6.031
172 HE3 TRP 28 3HE TRP 28 3.491 0.173 -8.214
173 HZ2 TRP 28 2HZ TRP 28 -1.173 1.748 -8.884
174 HZ3 TRP 28 3HZ TRP 28 2.620 0.548 -10.503
175 HH2 TRP 28 HH TRP 28 0.293 1.334 -10.843
176 H CYS 29 H CYS 29 2.999 0.619 -2.079
177 HA CYS 29 HA CYS 29 0.577 -0.218 -0.702
178 1HB CYS 29 2HB CYS 29 2.870 0.848 0.092
179 2HB CYS 29 1HB CYS 29 2.014 2.366 -0.185
180 H VAL 30 H VAL 30 -1.412 0.859 -0.618
181 HA VAL 30 HA VAL 30 -1.785 3.192 -2.474
182 HB VAL 30 HB VAL 30 -4.005 2.184 -2.962
183 1HG1 VAL 30 1HG1 VAL 30 -3.114 0.083 -4.097
184 2HG1 VAL 30 2HG1 VAL 30 -1.561 0.443 -3.343
185 3HG1 VAL 30 3HG1 VAL 30 -2.272 1.582 -4.487
186 1HG2 VAL 30 1HG2 VAL 30 -3.149 -0.337 -1.572
187 2HG2 VAL 30 2HG2 VAL 30 -4.774 0.217 -1.976
188 3HG2 VAL 30 3HG2 VAL 30 -3.907 0.941 -0.623
189 H TYR 31 H TYR 31 -4.339 3.905 -1.821
190 HA TYR 31 HA TYR 31 -4.033 4.869 0.970
191 1HB TYR 31 2HB TYR 31 -4.514 6.406 -0.924
192 2HB TYR 31 1HB TYR 31 -6.020 5.542 -1.228
193 HD1 TYR 31 1HD TYR 31 -4.380 6.592 1.979
194 HD2 TYR 31 2HD TYR 31 -7.782 6.960 -0.616
195 HE1 TYR 31 1HE TYR 31 -5.523 7.984 3.678
196 HE2 TYR 31 2HE TYR 31 -8.928 8.352 1.085
197 HH TYR 31 HH TYR 31 -8.332 8.441 4.087
198 H ALA 32 H ALA 32 -5.301 4.121 2.637
199 HA ALA 32 HA ALA 32 -7.296 1.990 2.033
200 1HB ALA 32 1HB ALA 32 -5.251 2.081 3.776
201 2HB ALA 32 2HB ALA 32 -6.721 1.169 4.115
202 3HB ALA 32 3HB ALA 32 -6.505 2.779 4.803
203 H ARG 33 H ARG 33 -9.168 2.049 3.820
204 HA ARG 33 HA ARG 33 -10.108 4.720 4.567
205 1HB ARG 33 2HB ARG 33 -10.748 3.527 2.002
206 2HB ARG 33 1HB ARG 33 -12.217 3.776 2.945
207 1HG ARG 33 2HG ARG 33 -10.570 6.087 3.274
208 2HG ARG 33 1HG ARG 33 -10.661 5.729 1.550
209 1HD ARG 33 2HD ARG 33 -12.647 6.871 1.667
210 2HD ARG 33 1HD ARG 33 -13.275 5.347 2.323
211 HE ARG 33 HE ARG 33 -12.197 7.542 4.059
212 1HH1 ARG 33 1HH2 ARG 33 -15.199 7.153 3.529
213 2HH1 ARG 33 2HH2 ARG 33 -15.671 6.284 4.951
214 1HH2 ARG 33 1HH1 ARG 33 -12.416 5.451 5.842
215 2HH2 ARG 33 2HH1 ARG 33 -14.092 5.318 6.264
216 HA PRO 34 HA PRO 34 -13.368 1.556 6.017
217 1HB PRO 34 2HB PRO 34 -13.272 -1.014 5.075
218 2HB PRO 34 1HB PRO 34 -14.181 0.281 4.270
219 1HG PRO 34 2HG PRO 34 -11.517 -0.859 3.600
220 2HG PRO 34 1HG PRO 34 -12.821 -0.327 2.526
221 1HD PRO 34 2HD PRO 34 -10.591 1.154 3.034
222 2HD PRO 34 1HD PRO 34 -12.159 1.858 2.589