Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
23475 | 2jvx RC | 15499 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA SER 1 HA SER 1 -14.194 -4.662 0.959
2 HG SER 1 HG SER 1 -16.236 -5.297 3.146
3 H1 SER 1 HT1 SER 1 -13.394 -6.326 2.454
4 H2 SER 1 HT2 SER 1 -12.383 -5.206 3.229
5 H3 SER 1 HT3 SER 1 -12.078 -5.646 1.620
6 HB2 SER 1 HB2 SER 1 -14.253 -3.527 3.761
7 HB3 SER 1 HB1 SER 1 -15.508 -3.428 2.524
8 H SER 2 HN SER 2 -13.339 -3.197 -0.364
9 HA SER 2 HA SER 2 -11.985 -1.590 -1.219
10 HG SER 2 HG SER 2 -14.297 -0.345 0.829
11 HB2 SER 2 HB2 SER 2 -12.286 -0.347 1.528
12 HB3 SER 2 HB1 SER 2 -11.749 0.485 0.068
13 H ASP 3 HN ASP 3 -10.450 -3.473 -1.055
14 HA ASP 3 HA ASP 3 -8.335 -3.054 0.937
15 HB2 ASP 3 HB2 ASP 3 -8.828 -5.452 -0.847
16 HB3 ASP 3 HB1 ASP 3 -7.633 -5.341 0.442
17 H PHE 4 HN PHE 4 -7.056 -1.493 0.065
18 HA PHE 4 HA PHE 4 -6.095 -1.785 -2.672
19 HD1 PHE 4 HD2 PHE 4 -6.429 0.717 -4.105
20 HD2 PHE 4 HD1 PHE 4 -7.803 0.910 -0.082
21 HE1 PHE 4 HE2 PHE 4 -8.465 1.868 -4.861
22 HE2 PHE 4 HE1 PHE 4 -9.845 2.065 -0.832
23 HZ PHE 4 HZ PHE 4 -10.176 2.547 -3.224
24 HB2 PHE 4 HB2 PHE 4 -5.542 0.322 -0.566
25 HB3 PHE 4 HB1 PHE 4 -4.918 0.365 -2.209
26 H CYS 5 HN CYS 5 -4.468 -3.183 -2.990
27 HA CYS 5 HA CYS 5 -2.836 -3.893 -0.667
28 HG CYS 5 HG CYS 5 -4.591 -4.531 -4.160
29 HB2 CYS 5 HB2 CYS 5 -2.265 -5.919 -2.082
30 HB3 CYS 5 HB1 CYS 5 -3.943 -5.781 -1.564
31 H CYS 6 HN CYS 6 -0.711 -3.745 -0.590
32 HA CYS 6 HA CYS 6 0.702 -2.161 -2.534
33 HB2 CYS 6 HB2 CYS 6 1.248 -1.888 -0.182
34 HB3 CYS 6 HB1 CYS 6 1.609 -3.602 -0.025
35 HA PRO 7 HA PRO 7 1.905 -5.843 -4.845
36 HB2 PRO 7 HB2 PRO 7 3.070 -4.574 -6.906
37 HB3 PRO 7 HB1 PRO 7 1.313 -4.603 -6.707
38 HG2 PRO 7 HG2 PRO 7 3.261 -2.441 -6.000
39 HG3 PRO 7 HG1 PRO 7 1.687 -2.305 -6.806
40 HD2 PRO 7 HD2 PRO 7 2.061 -1.804 -4.152
41 HD3 PRO 7 HD1 PRO 7 0.530 -2.394 -4.823
42 H LYS 8 HN LYS 8 3.524 -4.882 -2.623
43 HA LYS 8 HA LYS 8 6.184 -5.580 -3.641
44 HB2 LYS 8 HB2 LYS 8 5.885 -3.059 -3.358
45 HB3 LYS 8 HB1 LYS 8 5.765 -3.364 -1.632
46 HG2 LYS 8 HG2 LYS 8 7.996 -2.678 -2.151
47 HG3 LYS 8 HG1 LYS 8 8.020 -4.385 -1.696
48 HD2 LYS 8 HD2 LYS 8 8.202 -5.057 -3.992
49 HD3 LYS 8 HD1 LYS 8 7.941 -3.403 -4.549
50 HE2 LYS 8 HE2 LYS 8 10.298 -4.028 -4.676
51 HE3 LYS 8 HE1 LYS 8 10.041 -2.714 -3.531
52 HZ1 LYS 8 HZ1 LYS 8 10.214 -5.549 -2.682
53 HZ2 LYS 8 HZ2 LYS 8 10.333 -4.158 -1.714
54 HZ3 LYS 8 HZ3 LYS 8 11.573 -4.543 -2.793
55 H CYS 9 HN CYS 9 3.805 -5.588 -1.140
56 HA CYS 9 HA CYS 9 5.041 -7.783 0.218
57 HB2 CYS 9 HB2 CYS 9 5.160 -6.689 2.431
58 HB3 CYS 9 HB1 CYS 9 6.263 -5.936 1.285
59 H GLN 10 HN GLN 10 3.568 -8.352 2.219
60 HA GLN 10 HA GLN 10 0.860 -8.296 1.229
61 HB2 GLN 10 HB2 GLN 10 2.101 -9.558 3.671
62 HB3 GLN 10 HB1 GLN 10 0.372 -9.594 3.367
63 HG2 GLN 10 HG2 GLN 10 1.132 -11.638 2.583
64 HG3 GLN 10 HG1 GLN 10 0.961 -10.660 1.129
65 HE21 GLN 10 HE21 GLN 10 2.798 -10.060 -0.014
66 HE22 GLN 10 HE22 GLN 10 4.355 -10.757 0.294
67 H TYR 11 HN TYR 11 0.334 -6.125 1.322
68 HA TYR 11 HA TYR 11 -0.545 -5.250 3.963
69 HD1 TYR 11 HD1 TYR 11 0.710 -3.426 5.776
70 HD2 TYR 11 HD2 TYR 11 -0.220 -1.494 2.101
71 HE1 TYR 11 HE1 TYR 11 -0.077 -1.454 7.016
72 HE2 TYR 11 HE2 TYR 11 -1.015 0.477 3.330
73 HH TYR 11 HH TYR 11 -0.399 0.935 6.649
74 HB2 TYR 11 HB2 TYR 11 1.669 -4.189 3.608
75 HB3 TYR 11 HB1 TYR 11 1.080 -3.493 2.102
76 H GLN 12 HN GLN 12 -2.653 -4.961 3.720
77 HA GLN 12 HA GLN 12 -3.602 -3.728 1.226
78 HB2 GLN 12 HB2 GLN 12 -5.828 -4.669 1.744
79 HB3 GLN 12 HB1 GLN 12 -4.608 -5.908 1.528
80 HG2 GLN 12 HG2 GLN 12 -5.463 -4.932 4.236
81 HG3 GLN 12 HG1 GLN 12 -6.274 -6.246 3.392
82 HE21 GLN 12 HE21 GLN 12 -5.214 -8.207 3.124
83 HE22 GLN 12 HE22 GLN 12 -3.816 -8.633 4.052
84 H ALA 13 HN ALA 13 -4.032 -1.684 1.382
85 HA ALA 13 HA ALA 13 -4.530 -0.462 3.986
86 HB1 ALA 13 HB1 ALA 13 -2.813 0.506 2.533
87 HB2 ALA 13 HB2 ALA 13 -4.123 1.647 2.842
88 HB3 ALA 13 HB3 ALA 13 -4.030 0.804 1.294
89 HA PRO 14 HA PRO 14 -8.866 -0.055 3.114
90 HB2 PRO 14 HB2 PRO 14 -9.496 1.814 4.968
91 HB3 PRO 14 HB1 PRO 14 -9.124 0.141 5.395
92 HG2 PRO 14 HG2 PRO 14 -7.389 2.565 5.552
93 HG3 PRO 14 HG1 PRO 14 -7.545 1.222 6.698
94 HD2 PRO 14 HD2 PRO 14 -5.502 1.455 4.894
95 HD3 PRO 14 HD1 PRO 14 -6.076 -0.096 5.535
96 H ASP 15 HN ASP 15 -6.785 2.765 3.265
97 HA ASP 15 HA ASP 15 -8.609 4.211 1.473
98 HB2 ASP 15 HB2 ASP 15 -6.405 5.191 3.286
99 HB3 ASP 15 HB1 ASP 15 -7.182 6.217 2.085
100 H MET 16 HN MET 16 -7.901 4.989 -0.484
101 HA MET 16 HA MET 16 -5.667 3.682 -1.700
102 HB2 MET 16 HB2 MET 16 -7.733 4.396 -2.917
103 HB3 MET 16 HB1 MET 16 -7.233 6.068 -2.705
104 HG2 MET 16 HG2 MET 16 -5.210 5.619 -4.009
105 HG3 MET 16 HG1 MET 16 -5.734 3.951 -4.231
106 HE1 MET 16 HE1 MET 16 -4.936 5.757 -6.688
107 HE2 MET 16 HE2 MET 16 -6.247 5.408 -7.814
108 HE3 MET 16 HE3 MET 16 -5.539 4.109 -6.854
109 H ASP 17 HN ASP 17 -6.270 6.728 -0.160
110 HA ASP 17 HA ASP 17 -3.933 8.132 -0.815
111 HB2 ASP 17 HB2 ASP 17 -5.507 8.145 1.777
112 HB3 ASP 17 HB1 ASP 17 -4.332 9.361 1.300
113 H THR 18 HN THR 18 -4.671 5.996 1.915
114 HA THR 18 HA THR 18 -2.206 5.988 3.178
115 HB THR 18 HB THR 18 -4.265 3.780 2.993
116 HG1 THR 18 HG1 THR 18 -3.818 5.929 4.811
117 HG21 THR 18 HG21 THR 18 -3.278 2.883 5.032
118 HG22 THR 18 HG22 THR 18 -2.039 4.138 5.007
119 HG23 THR 18 HG23 THR 18 -2.080 2.913 3.739
120 H LEU 19 HN LEU 19 -3.401 3.898 0.559
121 HA LEU 19 HA LEU 19 -1.207 2.184 0.383
122 HG LEU 19 HG LEU 19 -0.945 2.037 -2.689
123 HB2 LEU 19 HB2 LEU 19 -3.297 1.773 -0.813
124 HB3 LEU 19 HB1 LEU 19 -3.003 3.166 -1.839
125 HD11 LEU 19 HD11 LEU 19 -0.676 -0.349 -2.312
126 HD12 LEU 19 HD12 LEU 19 -2.033 -0.336 -1.186
127 HD13 LEU 19 HD13 LEU 19 -0.557 0.546 -0.798
128 HD21 LEU 19 HD21 LEU 19 -3.478 0.458 -3.069
129 HD22 LEU 19 HD22 LEU 19 -2.104 0.542 -4.171
130 HD23 LEU 19 HD23 LEU 19 -3.095 1.971 -3.886
131 H GLN 20 HN GLN 20 -1.819 5.247 -1.320
132 HA GLN 20 HA GLN 20 0.478 5.336 -2.886
133 HB2 GLN 20 HB2 GLN 20 -1.402 6.914 -3.097
134 HB3 GLN 20 HB1 GLN 20 -0.964 7.645 -1.560
135 HG2 GLN 20 HG2 GLN 20 -0.138 9.068 -3.243
136 HG3 GLN 20 HG1 GLN 20 1.255 8.218 -2.579
137 HE21 GLN 20 HE21 GLN 20 -1.043 6.767 -4.765
138 HE22 GLN 20 HE22 GLN 20 0.021 6.641 -6.123
139 H ILE 21 HN ILE 21 -0.060 6.625 0.372
140 HA ILE 21 HA ILE 21 2.492 7.682 0.823
141 HB ILE 21 HB ILE 21 0.651 6.459 2.893
142 HG12 ILE 21 HG12 ILE 21 0.795 9.323 1.923
143 HG13 ILE 21 HG11 ILE 21 -0.448 8.169 1.447
144 HG21 ILE 21 HG21 ILE 21 2.882 6.863 3.756
145 HG22 ILE 21 HG22 ILE 21 1.755 8.037 4.433
146 HG23 ILE 21 HG23 ILE 21 2.849 8.514 3.136
147 HD11 ILE 21 HD11 ILE 21 -1.266 9.647 3.170
148 HD12 ILE 21 HD12 ILE 21 0.060 9.184 4.235
149 HD13 ILE 21 HD13 ILE 21 -1.162 7.997 3.783
150 H HIS 22 HN HIS 22 1.157 4.485 1.614
151 HA HIS 22 HA HIS 22 3.450 3.459 2.837
152 HD1 HIS 22 HD1 HIS 22 2.853 0.835 4.556
153 HD2 HIS 22 HD2 HIS 22 2.801 -0.080 0.497
154 HE1 HIS 22 HE1 HIS 22 4.024 -1.406 4.306
155 HB2 HIS 22 HB2 HIS 22 1.308 2.365 3.111
156 HB3 HIS 22 HB1 HIS 22 1.223 2.019 1.385
157 H VAL 23 HN VAL 23 2.424 3.353 -0.575
158 HA VAL 23 HA VAL 23 4.438 1.574 -1.419
159 HB VAL 23 HB VAL 23 3.039 3.699 -3.060
160 HG11 VAL 23 HG11 VAL 23 5.060 2.929 -4.160
161 HG12 VAL 23 HG12 VAL 23 3.637 2.294 -4.987
162 HG13 VAL 23 HG13 VAL 23 4.575 1.250 -3.918
163 HG21 VAL 23 HG21 VAL 23 1.584 1.853 -3.784
164 HG22 VAL 23 HG22 VAL 23 1.456 2.162 -2.052
165 HG23 VAL 23 HG23 VAL 23 2.391 0.784 -2.636
166 H MET 24 HN MET 24 4.427 5.085 -1.064
167 HA MET 24 HA MET 24 6.992 5.381 -2.336
168 HB2 MET 24 HB2 MET 24 5.351 7.321 -0.708
169 HB3 MET 24 HB1 MET 24 6.851 7.731 -1.530
170 HG2 MET 24 HG2 MET 24 5.761 6.997 -3.666
171 HG3 MET 24 HG1 MET 24 4.251 6.881 -2.764
172 HE1 MET 24 HE1 MET 24 6.612 10.791 -3.371
173 HE2 MET 24 HE2 MET 24 7.065 9.254 -4.107
174 HE3 MET 24 HE3 MET 24 7.173 9.462 -2.361
175 H GLU 25 HN GLU 25 5.890 4.621 0.812
176 HA GLU 25 HA GLU 25 8.464 5.149 2.048
177 HB2 GLU 25 HB2 GLU 25 5.942 3.800 3.017
178 HB3 GLU 25 HB1 GLU 25 7.412 3.863 3.979
179 HG2 GLU 25 HG2 GLU 25 5.873 6.243 2.975
180 HG3 GLU 25 HG1 GLU 25 5.813 5.595 4.614
181 H CYS 26 HN CYS 26 6.684 2.569 0.607
182 HA CYS 26 HA CYS 26 8.430 0.463 1.540
183 HB2 CYS 26 HB2 CYS 26 5.917 0.288 1.244
184 HB3 CYS 26 HB1 CYS 26 6.190 0.334 -0.488
185 H ILE 27 HN ILE 27 10.177 1.901 0.374
186 HA ILE 27 HA ILE 27 10.349 1.484 -2.492
187 HB ILE 27 HB ILE 27 12.391 2.689 -0.613
188 HG12 ILE 27 HG12 ILE 27 10.304 4.065 -2.320
189 HG13 ILE 27 HG11 ILE 27 10.231 3.895 -0.569
190 HG21 ILE 27 HG21 ILE 27 13.364 1.979 -2.716
191 HG22 ILE 27 HG22 ILE 27 13.295 3.741 -2.641
192 HG23 ILE 27 HG23 ILE 27 12.120 2.853 -3.610
193 HD11 ILE 27 HD11 ILE 27 10.990 6.109 -1.216
194 HD12 ILE 27 HD12 ILE 27 12.336 5.401 -2.103
195 HD13 ILE 27 HD13 ILE 27 12.252 5.237 -0.350
196 H GLU 28 HN GLU 28 11.560 0.035 0.407
197 HA GLU 28 HA GLU 28 13.825 -1.245 -0.755
198 HB2 GLU 28 HB2 GLU 28 12.361 -2.041 1.762
199 HB3 GLU 28 HB1 GLU 28 14.016 -2.443 1.326
200 HG2 GLU 28 HG2 GLU 28 12.918 0.256 2.065
201 HG3 GLU 28 HG1 GLU 28 14.071 -0.726 2.967
Start of MODEL 2
1 HA SER 1 HA SER 1 -14.838 -4.119 1.740
2 HG SER 1 HG SER 1 -14.535 -0.530 3.661
3 H1 SER 1 HT1 SER 1 -13.786 -4.407 3.820
4 H2 SER 1 HT2 SER 1 -12.638 -3.206 3.486
5 H3 SER 1 HT3 SER 1 -12.615 -4.657 2.618
6 HB2 SER 1 HB2 SER 1 -15.434 -1.655 1.906
7 HB3 SER 1 HB1 SER 1 -15.628 -2.579 3.395
8 H SER 2 HN SER 2 -12.896 -1.166 1.753
9 HA SER 2 HA SER 2 -12.047 -1.775 -0.986
10 HG SER 2 HG SER 2 -13.999 0.599 0.038
11 HB2 SER 2 HB2 SER 2 -11.902 0.831 0.560
12 HB3 SER 2 HB1 SER 2 -11.428 0.612 -1.124
13 H ASP 3 HN ASP 3 -10.483 -3.337 -0.345
14 HA ASP 3 HA ASP 3 -8.347 -2.360 1.408
15 HB2 ASP 3 HB2 ASP 3 -9.015 -5.173 0.520
16 HB3 ASP 3 HB1 ASP 3 -7.665 -4.745 1.567
17 H PHE 4 HN PHE 4 -7.306 -1.070 -0.083
18 HA PHE 4 HA PHE 4 -6.414 -2.048 -2.615
19 HD1 PHE 4 HD2 PHE 4 -7.021 0.144 -4.362
20 HD2 PHE 4 HD1 PHE 4 -7.534 1.278 -0.294
21 HE1 PHE 4 HE2 PHE 4 -9.097 1.322 -4.959
22 HE2 PHE 4 HE1 PHE 4 -9.610 2.458 -0.883
23 HZ PHE 4 HZ PHE 4 -10.394 2.485 -3.216
24 HB2 PHE 4 HB2 PHE 4 -5.479 0.354 -1.023
25 HB3 PHE 4 HB1 PHE 4 -5.160 0.059 -2.729
26 H CYS 5 HN CYS 5 -4.712 -3.317 -2.987
27 HA CYS 5 HA CYS 5 -2.977 -3.908 -0.698
28 HG CYS 5 HG CYS 5 -5.789 -5.096 -1.505
29 HB2 CYS 5 HB2 CYS 5 -3.376 -5.496 -3.238
30 HB3 CYS 5 HB1 CYS 5 -2.543 -6.029 -1.779
31 H CYS 6 HN CYS 6 -0.808 -3.681 -0.752
32 HA CYS 6 HA CYS 6 0.419 -2.066 -2.744
33 HB2 CYS 6 HB2 CYS 6 1.236 -2.027 -0.453
34 HB3 CYS 6 HB1 CYS 6 1.624 -3.740 -0.524
35 HA PRO 7 HA PRO 7 1.167 -5.485 -5.531
36 HB2 PRO 7 HB2 PRO 7 2.084 -4.033 -7.597
37 HB3 PRO 7 HB1 PRO 7 0.375 -4.029 -7.144
38 HG2 PRO 7 HG2 PRO 7 2.501 -2.010 -6.546
39 HG3 PRO 7 HG1 PRO 7 0.818 -1.752 -7.043
40 HD2 PRO 7 HD2 PRO 7 1.698 -1.575 -4.452
41 HD3 PRO 7 HD1 PRO 7 0.029 -1.973 -4.906
42 H LYS 8 HN LYS 8 3.041 -5.144 -3.511
43 HA LYS 8 HA LYS 8 5.553 -5.688 -4.871
44 HB2 LYS 8 HB2 LYS 8 5.584 -3.249 -4.514
45 HB3 LYS 8 HB1 LYS 8 5.283 -3.490 -2.801
46 HG2 LYS 8 HG2 LYS 8 7.567 -3.078 -2.939
47 HG3 LYS 8 HG1 LYS 8 7.451 -4.833 -2.788
48 HD2 LYS 8 HD2 LYS 8 7.635 -4.990 -5.263
49 HD3 LYS 8 HD1 LYS 8 7.921 -3.249 -5.311
50 HE2 LYS 8 HE2 LYS 8 9.634 -5.382 -4.054
51 HE3 LYS 8 HE1 LYS 8 10.050 -4.297 -5.379
52 HZ1 LYS 8 HZ1 LYS 8 9.873 -2.432 -3.774
53 HZ2 LYS 8 HZ2 LYS 8 11.102 -3.532 -3.391
54 HZ3 LYS 8 HZ3 LYS 8 9.643 -3.560 -2.526
55 H CYS 9 HN CYS 9 3.767 -5.377 -1.852
56 HA CYS 9 HA CYS 9 4.972 -7.814 -0.836
57 HB2 CYS 9 HB2 CYS 9 5.508 -6.782 1.342
58 HB3 CYS 9 HB1 CYS 9 6.446 -6.053 0.043
59 H GLN 10 HN GLN 10 3.862 -8.285 1.415
60 HA GLN 10 HA GLN 10 1.032 -8.199 0.887
61 HB2 GLN 10 HB2 GLN 10 2.093 -10.230 1.786
62 HB3 GLN 10 HB1 GLN 10 2.538 -9.352 3.240
63 HG2 GLN 10 HG2 GLN 10 0.616 -10.712 3.686
64 HG3 GLN 10 HG1 GLN 10 0.155 -9.014 3.742
65 HE21 GLN 10 HE21 GLN 10 -1.450 -11.426 3.312
66 HE22 GLN 10 HE22 GLN 10 -2.276 -11.172 1.812
67 H TYR 11 HN TYR 11 0.385 -6.127 1.072
68 HA TYR 11 HA TYR 11 -0.102 -5.216 3.771
69 HD1 TYR 11 HD2 TYR 11 -0.393 -1.606 2.084
70 HD2 TYR 11 HD1 TYR 11 1.719 -3.256 5.391
71 HE1 TYR 11 HE2 TYR 11 -1.073 0.308 3.463
72 HE2 TYR 11 HE1 TYR 11 1.051 -1.338 6.779
73 HH TYR 11 HH TYR 11 0.368 1.115 6.329
74 HB2 TYR 11 HB2 TYR 11 2.065 -4.134 3.177
75 HB3 TYR 11 HB1 TYR 11 1.285 -3.404 1.777
76 H GLN 12 HN GLN 12 -2.126 -4.467 3.874
77 HA GLN 12 HA GLN 12 -3.396 -3.578 1.371
78 HB2 GLN 12 HB2 GLN 12 -4.767 -5.037 3.639
79 HB3 GLN 12 HB1 GLN 12 -5.480 -4.572 2.102
80 HG2 GLN 12 HG2 GLN 12 -3.960 -6.103 0.944
81 HG3 GLN 12 HG1 GLN 12 -3.281 -6.588 2.496
82 HE21 GLN 12 HE21 GLN 12 -5.969 -6.833 0.338
83 HE22 GLN 12 HE22 GLN 12 -6.793 -8.099 1.180
84 H ALA 13 HN ALA 13 -4.356 -1.641 1.433
85 HA ALA 13 HA ALA 13 -4.644 -0.338 4.064
86 HB1 ALA 13 HB1 ALA 13 -3.980 0.965 1.427
87 HB2 ALA 13 HB2 ALA 13 -2.825 0.618 2.712
88 HB3 ALA 13 HB3 ALA 13 -4.127 1.776 2.987
89 HA PRO 14 HA PRO 14 -8.936 -0.075 2.945
90 HB2 PRO 14 HB2 PRO 14 -9.185 2.025 4.970
91 HB3 PRO 14 HB1 PRO 14 -9.881 0.402 4.952
92 HG2 PRO 14 HG2 PRO 14 -7.902 1.128 6.648
93 HG3 PRO 14 HG1 PRO 14 -8.074 -0.523 6.028
94 HD2 PRO 14 HD2 PRO 14 -6.199 1.643 5.165
95 HD3 PRO 14 HD1 PRO 14 -5.903 -0.099 5.342
96 H ASP 15 HN ASP 15 -6.915 2.777 3.278
97 HA ASP 15 HA ASP 15 -8.726 4.252 1.497
98 HB2 ASP 15 HB2 ASP 15 -8.185 5.332 3.671
99 HB3 ASP 15 HB1 ASP 15 -6.485 5.345 3.210
100 H MET 16 HN MET 16 -7.993 5.135 -0.398
101 HA MET 16 HA MET 16 -5.977 3.692 -1.740
102 HB2 MET 16 HB2 MET 16 -8.001 4.773 -2.772
103 HB3 MET 16 HB1 MET 16 -7.196 6.323 -2.587
104 HG2 MET 16 HG2 MET 16 -5.939 4.069 -4.113
105 HG3 MET 16 HG1 MET 16 -7.092 5.169 -4.865
106 HE1 MET 16 HE1 MET 16 -5.223 5.715 -6.699
107 HE2 MET 16 HE2 MET 16 -4.088 4.644 -5.878
108 HE3 MET 16 HE3 MET 16 -3.604 6.285 -6.296
109 H ASP 17 HN ASP 17 -6.010 6.952 -0.336
110 HA ASP 17 HA ASP 17 -3.459 7.698 -1.342
111 HB2 ASP 17 HB2 ASP 17 -5.027 8.762 1.013
112 HB3 ASP 17 HB1 ASP 17 -3.517 9.463 0.446
113 H THR 18 HN THR 18 -4.574 6.288 1.694
114 HA THR 18 HA THR 18 -2.200 6.282 3.126
115 HB THR 18 HB THR 18 -4.250 4.062 3.127
116 HG1 THR 18 HG1 THR 18 -4.243 6.670 4.215
117 HG21 THR 18 HG21 THR 18 -2.225 3.513 4.369
118 HG22 THR 18 HG22 THR 18 -3.571 3.785 5.476
119 HG23 THR 18 HG23 THR 18 -2.340 5.030 5.259
120 H LEU 19 HN LEU 19 -3.348 3.994 0.673
121 HA LEU 19 HA LEU 19 -1.215 2.157 0.934
122 HG LEU 19 HG LEU 19 -0.858 1.469 -2.014
123 HB2 LEU 19 HB2 LEU 19 -3.283 1.573 -0.217
124 HB3 LEU 19 HB1 LEU 19 -2.948 2.767 -1.459
125 HD11 LEU 19 HD11 LEU 19 -0.762 -0.862 -1.278
126 HD12 LEU 19 HD12 LEU 19 -2.147 -0.582 -0.226
127 HD13 LEU 19 HD13 LEU 19 -0.628 0.260 0.077
128 HD21 LEU 19 HD21 LEU 19 -2.019 -0.206 -3.316
129 HD22 LEU 19 HD22 LEU 19 -2.910 1.319 -3.350
130 HD23 LEU 19 HD23 LEU 19 -3.463 -0.007 -2.324
131 H GLN 20 HN GLN 20 -1.704 4.962 -1.187
132 HA GLN 20 HA GLN 20 0.652 4.623 -2.695
133 HB2 GLN 20 HB2 GLN 20 -1.341 6.126 -3.229
134 HB3 GLN 20 HB1 GLN 20 -0.652 7.277 -2.094
135 HG2 GLN 20 HG2 GLN 20 -0.041 7.862 -4.355
136 HG3 GLN 20 HG1 GLN 20 1.388 7.381 -3.441
137 HE21 GLN 20 HE21 GLN 20 -0.956 5.106 -4.693
138 HE22 GLN 20 HE22 GLN 20 0.079 4.401 -5.884
139 H ILE 21 HN ILE 21 -0.056 6.431 0.262
140 HA ILE 21 HA ILE 21 2.475 7.551 0.680
141 HB ILE 21 HB ILE 21 0.486 6.591 2.752
142 HG12 ILE 21 HG12 ILE 21 0.939 9.339 1.560
143 HG13 ILE 21 HG11 ILE 21 -0.407 8.268 1.179
144 HG21 ILE 21 HG21 ILE 21 2.718 6.877 3.709
145 HG22 ILE 21 HG22 ILE 21 1.606 8.114 4.295
146 HG23 ILE 21 HG23 ILE 21 2.795 8.511 3.053
147 HD11 ILE 21 HD11 ILE 21 -1.206 8.430 3.463
148 HD12 ILE 21 HD12 ILE 21 -1.050 10.028 2.735
149 HD13 ILE 21 HD13 ILE 21 0.164 9.457 3.880
150 H HIS 22 HN HIS 22 1.160 4.393 1.661
151 HA HIS 22 HA HIS 22 3.428 3.420 2.964
152 HD1 HIS 22 HD1 HIS 22 3.462 0.533 4.156
153 HD2 HIS 22 HD2 HIS 22 2.390 -0.034 0.172
154 HE1 HIS 22 HE1 HIS 22 4.495 -1.667 3.436
155 HB2 HIS 22 HB2 HIS 22 1.468 2.115 3.212
156 HB3 HIS 22 HB1 HIS 22 1.200 2.036 1.473
157 H VAL 23 HN VAL 23 2.490 3.117 -0.461
158 HA VAL 23 HA VAL 23 4.652 1.468 -1.191
159 HB VAL 23 HB VAL 23 3.006 3.331 -2.927
160 HG11 VAL 23 HG11 VAL 23 3.698 1.877 -4.792
161 HG12 VAL 23 HG12 VAL 23 4.799 1.030 -3.704
162 HG13 VAL 23 HG13 VAL 23 5.057 2.737 -4.068
163 HG21 VAL 23 HG21 VAL 23 1.726 1.310 -3.479
164 HG22 VAL 23 HG22 VAL 23 1.652 1.681 -1.757
165 HG23 VAL 23 HG23 VAL 23 2.702 0.387 -2.337
166 H MET 24 HN MET 24 4.364 4.998 -1.130
167 HA MET 24 HA MET 24 6.830 5.456 -2.473
168 HB2 MET 24 HB2 MET 24 5.220 7.218 -0.626
169 HB3 MET 24 HB1 MET 24 6.677 7.750 -1.456
170 HG2 MET 24 HG2 MET 24 5.578 7.178 -3.610
171 HG3 MET 24 HG1 MET 24 4.099 6.852 -2.709
172 HE1 MET 24 HE1 MET 24 4.305 8.914 -5.142
173 HE2 MET 24 HE2 MET 24 3.338 10.251 -4.516
174 HE3 MET 24 HE3 MET 24 2.809 8.586 -4.267
175 H GLU 25 HN GLU 25 5.935 4.957 0.882
176 HA GLU 25 HA GLU 25 8.710 5.295 1.743
177 HB2 GLU 25 HB2 GLU 25 6.679 6.163 3.041
178 HB3 GLU 25 HB1 GLU 25 6.342 4.486 3.436
179 HG2 GLU 25 HG2 GLU 25 7.512 5.613 5.238
180 HG3 GLU 25 HG1 GLU 25 8.476 4.296 4.572
181 H CYS 26 HN CYS 26 7.114 3.018 0.193
182 HA CYS 26 HA CYS 26 7.869 0.682 1.739
183 HB2 CYS 26 HB2 CYS 26 5.713 0.676 0.586
184 HB3 CYS 26 HB1 CYS 26 6.505 0.975 -0.949
185 H ILE 27 HN ILE 27 10.058 0.705 1.730
186 HA ILE 27 HA ILE 27 11.622 0.926 -0.643
187 HB ILE 27 HB ILE 27 12.303 -0.012 2.142
188 HG12 ILE 27 HG12 ILE 27 13.864 2.018 1.910
189 HG13 ILE 27 HG11 ILE 27 12.912 2.430 0.492
190 HG21 ILE 27 HG21 ILE 27 14.174 0.168 -0.216
191 HG22 ILE 27 HG22 ILE 27 13.656 -1.315 0.585
192 HG23 ILE 27 HG23 ILE 27 14.643 -0.141 1.456
193 HD11 ILE 27 HD11 ILE 27 10.913 2.564 1.871
194 HD12 ILE 27 HD12 ILE 27 12.173 3.667 2.424
195 HD13 ILE 27 HD13 ILE 27 11.874 2.162 3.295
196 H GLU 28 HN GLU 28 10.956 -1.849 1.508
197 HA GLU 28 HA GLU 28 11.490 -3.611 -0.774
198 HB2 GLU 28 HB2 GLU 28 11.362 -4.229 2.183
199 HB3 GLU 28 HB1 GLU 28 11.634 -5.425 0.923
200 HG2 GLU 28 HG2 GLU 28 13.636 -3.974 0.253
201 HG3 GLU 28 HG1 GLU 28 13.431 -3.213 1.829
Start of MODEL 3
1 HA SER 1 HA SER 1 -14.984 -4.780 1.573
2 HG SER 1 HG SER 1 -15.271 -2.923 3.978
3 H1 SER 1 HT1 SER 1 -13.177 -6.254 1.958
4 H2 SER 1 HT2 SER 1 -13.475 -5.402 3.391
5 H3 SER 1 HT3 SER 1 -12.150 -4.985 2.420
6 HB2 SER 1 HB2 SER 1 -13.121 -2.531 2.363
7 HB3 SER 1 HB1 SER 1 -14.841 -2.417 1.993
8 H SER 2 HN SER 2 -12.143 -2.770 0.964
9 HA SER 2 HA SER 2 -12.078 -3.783 -1.800
10 HG SER 2 HG SER 2 -11.375 -2.284 -3.369
11 HB2 SER 2 HB2 SER 2 -12.835 -1.398 -1.607
12 HB3 SER 2 HB1 SER 2 -11.291 -1.013 -0.850
13 H ASP 3 HN ASP 3 -10.194 -2.186 0.730
14 HA ASP 3 HA ASP 3 -8.084 -2.456 1.502
15 HB2 ASP 3 HB2 ASP 3 -8.664 -5.347 0.823
16 HB3 ASP 3 HB1 ASP 3 -7.405 -4.783 1.917
17 H PHE 4 HN PHE 4 -7.230 -1.247 -0.306
18 HA PHE 4 HA PHE 4 -6.237 -2.428 -2.656
19 HD1 PHE 4 HD2 PHE 4 -6.900 -0.449 -4.474
20 HD2 PHE 4 HD1 PHE 4 -7.090 1.223 -0.565
21 HE1 PHE 4 HE2 PHE 4 -8.927 0.789 -5.106
22 HE2 PHE 4 HE1 PHE 4 -9.120 2.464 -1.192
23 HZ PHE 4 HZ PHE 4 -10.045 2.252 -3.443
24 HB2 PHE 4 HB2 PHE 4 -5.188 0.029 -1.231
25 HB3 PHE 4 HB1 PHE 4 -4.923 -0.391 -2.920
26 H CYS 5 HN CYS 5 -4.439 -3.586 -3.051
27 HA CYS 5 HA CYS 5 -2.899 -4.314 -0.660
28 HG CYS 5 HG CYS 5 -5.576 -5.411 -1.310
29 HB2 CYS 5 HB2 CYS 5 -3.153 -5.828 -3.264
30 HB3 CYS 5 HB1 CYS 5 -2.437 -6.415 -1.766
31 H CYS 6 HN CYS 6 -0.755 -4.174 -0.542
32 HA CYS 6 HA CYS 6 0.704 -2.578 -2.389
33 HB2 CYS 6 HB2 CYS 6 1.353 -2.497 -0.086
34 HB3 CYS 6 HB1 CYS 6 1.539 -4.243 -0.005
35 HA PRO 7 HA PRO 7 1.877 -5.826 -5.165
36 HB2 PRO 7 HB2 PRO 7 3.710 -4.030 -6.452
37 HB3 PRO 7 HB1 PRO 7 2.104 -4.520 -6.986
38 HG2 PRO 7 HG2 PRO 7 2.752 -1.974 -6.171
39 HG3 PRO 7 HG1 PRO 7 1.114 -2.651 -6.130
40 HD2 PRO 7 HD2 PRO 7 3.098 -2.347 -3.909
41 HD3 PRO 7 HD1 PRO 7 1.338 -2.112 -3.894
42 H LYS 8 HN LYS 8 3.672 -4.980 -2.660
43 HA LYS 8 HA LYS 8 5.997 -6.524 -3.592
44 HB2 LYS 8 HB2 LYS 8 6.067 -4.268 -1.570
45 HB3 LYS 8 HB1 LYS 8 7.434 -5.251 -2.066
46 HG2 LYS 8 HG2 LYS 8 7.149 -4.383 -4.376
47 HG3 LYS 8 HG1 LYS 8 5.899 -3.299 -3.760
48 HD2 LYS 8 HD2 LYS 8 7.553 -2.331 -2.205
49 HD3 LYS 8 HD1 LYS 8 8.792 -3.374 -2.906
50 HE2 LYS 8 HE2 LYS 8 8.319 -2.320 -5.119
51 HE3 LYS 8 HE1 LYS 8 7.246 -1.189 -4.295
52 HZ1 LYS 8 HZ1 LYS 8 9.192 -0.531 -2.915
53 HZ2 LYS 8 HZ2 LYS 8 9.354 -0.150 -4.555
54 HZ3 LYS 8 HZ3 LYS 8 10.179 -1.489 -3.909
55 H CYS 9 HN CYS 9 5.047 -5.310 -0.400
56 HA CYS 9 HA CYS 9 5.029 -8.006 0.679
57 HB2 CYS 9 HB2 CYS 9 4.754 -6.921 2.839
58 HB3 CYS 9 HB1 CYS 9 6.046 -6.117 1.954
59 H GLN 10 HN GLN 10 3.140 -8.719 1.984
60 HA GLN 10 HA GLN 10 0.674 -8.109 0.619
61 HB2 GLN 10 HB2 GLN 10 1.219 -10.417 1.415
62 HB3 GLN 10 HB1 GLN 10 1.060 -9.841 3.069
63 HG2 GLN 10 HG2 GLN 10 -1.269 -9.277 2.667
64 HG3 GLN 10 HG1 GLN 10 -1.117 -9.806 0.993
65 HE21 GLN 10 HE21 GLN 10 0.586 -12.072 1.703
66 HE22 GLN 10 HE22 GLN 10 -0.465 -13.251 2.418
67 H TYR 11 HN TYR 11 0.796 -5.832 1.181
68 HA TYR 11 HA TYR 11 -0.279 -5.281 3.869
69 HD1 TYR 11 HD1 TYR 11 0.966 -3.335 5.609
70 HD2 TYR 11 HD2 TYR 11 -0.341 -1.490 2.001
71 HE1 TYR 11 HE1 TYR 11 0.125 -1.418 6.898
72 HE2 TYR 11 HE2 TYR 11 -1.187 0.425 3.281
73 HH TYR 11 HH TYR 11 -2.016 0.765 5.750
74 HB2 TYR 11 HB2 TYR 11 1.805 -4.068 3.389
75 HB3 TYR 11 HB1 TYR 11 1.098 -3.403 1.921
76 H GLN 12 HN GLN 12 -2.327 -4.601 4.017
77 HA GLN 12 HA GLN 12 -3.682 -3.858 1.507
78 HB2 GLN 12 HB2 GLN 12 -4.869 -5.120 3.989
79 HB3 GLN 12 HB1 GLN 12 -5.748 -4.716 2.520
80 HG2 GLN 12 HG2 GLN 12 -4.473 -6.329 1.263
81 HG3 GLN 12 HG1 GLN 12 -3.477 -6.685 2.673
82 HE21 GLN 12 HE21 GLN 12 -6.564 -7.108 1.159
83 HE22 GLN 12 HE22 GLN 12 -7.130 -8.358 2.210
84 H ALA 13 HN ALA 13 -4.384 -1.840 1.372
85 HA ALA 13 HA ALA 13 -4.715 -0.306 3.870
86 HB1 ALA 13 HB1 ALA 13 -3.980 0.734 1.135
87 HB2 ALA 13 HB2 ALA 13 -2.855 0.487 2.471
88 HB3 ALA 13 HB3 ALA 13 -4.137 1.691 2.608
89 HA PRO 14 HA PRO 14 -8.988 -0.107 2.567
90 HB2 PRO 14 HB2 PRO 14 -9.349 1.752 4.791
91 HB3 PRO 14 HB1 PRO 14 -10.004 0.126 4.585
92 HG2 PRO 14 HG2 PRO 14 -8.110 0.696 6.426
93 HG3 PRO 14 HG1 PRO 14 -8.201 -0.875 5.610
94 HD2 PRO 14 HD2 PRO 14 -6.400 1.455 5.037
95 HD3 PRO 14 HD1 PRO 14 -6.010 -0.279 5.094
96 H ASP 15 HN ASP 15 -6.907 2.614 3.196
97 HA ASP 15 HA ASP 15 -8.644 4.376 1.609
98 HB2 ASP 15 HB2 ASP 15 -8.146 5.333 3.749
99 HB3 ASP 15 HB1 ASP 15 -6.432 4.979 3.578
100 H MET 16 HN MET 16 -7.916 5.314 -0.255
101 HA MET 16 HA MET 16 -5.925 3.879 -1.670
102 HB2 MET 16 HB2 MET 16 -7.904 4.866 -2.752
103 HB3 MET 16 HB1 MET 16 -7.288 6.475 -2.407
104 HG2 MET 16 HG2 MET 16 -5.370 6.076 -3.839
105 HG3 MET 16 HG1 MET 16 -5.921 4.430 -4.142
106 HE1 MET 16 HE1 MET 16 -9.068 4.834 -4.426
107 HE2 MET 16 HE2 MET 16 -8.111 3.829 -5.513
108 HE3 MET 16 HE3 MET 16 -9.216 5.037 -6.172
109 H ASP 17 HN ASP 17 -5.979 7.082 -0.172
110 HA ASP 17 HA ASP 17 -3.448 7.904 -1.159
111 HB2 ASP 17 HB2 ASP 17 -5.041 8.819 1.241
112 HB3 ASP 17 HB1 ASP 17 -3.544 9.582 0.718
113 H THR 18 HN THR 18 -4.512 6.379 1.835
114 HA THR 18 HA THR 18 -2.102 6.214 3.196
115 HB THR 18 HB THR 18 -4.289 4.123 3.118
116 HG1 THR 18 HG1 THR 18 -4.915 6.355 3.662
117 HG21 THR 18 HG21 THR 18 -3.524 3.517 5.353
118 HG22 THR 18 HG22 THR 18 -2.246 4.729 5.268
119 HG23 THR 18 HG23 THR 18 -2.213 3.332 4.191
120 H LEU 19 HN LEU 19 -3.410 4.072 0.678
121 HA LEU 19 HA LEU 19 -1.350 2.161 0.670
122 HG LEU 19 HG LEU 19 -0.998 1.865 -2.327
123 HB2 LEU 19 HB2 LEU 19 -3.427 1.807 -0.547
124 HB3 LEU 19 HB1 LEU 19 -3.073 3.166 -1.598
125 HD11 LEU 19 HD11 LEU 19 -0.943 0.252 -0.527
126 HD12 LEU 19 HD12 LEU 19 -1.136 -0.569 -2.077
127 HD13 LEU 19 HD13 LEU 19 -2.522 -0.369 -1.004
128 HD21 LEU 19 HD21 LEU 19 -2.306 0.501 -3.921
129 HD22 LEU 19 HD22 LEU 19 -2.891 2.158 -3.783
130 HD23 LEU 19 HD23 LEU 19 -3.759 0.850 -2.983
131 H GLN 20 HN GLN 20 -1.762 5.153 -1.190
132 HA GLN 20 HA GLN 20 0.588 4.971 -2.699
133 HB2 GLN 20 HB2 GLN 20 -0.901 7.437 -1.771
134 HB3 GLN 20 HB1 GLN 20 0.351 7.426 -3.006
135 HG2 GLN 20 HG2 GLN 20 -1.019 5.954 -4.387
136 HG3 GLN 20 HG1 GLN 20 -2.273 5.962 -3.150
137 HE21 GLN 20 HE21 GLN 20 -1.837 8.797 -2.538
138 HE22 GLN 20 HE22 GLN 20 -2.561 9.671 -3.844
139 H ILE 21 HN ILE 21 -0.010 6.638 0.392
140 HA ILE 21 HA ILE 21 2.549 7.663 0.801
141 HB ILE 21 HB ILE 21 0.638 6.639 2.911
142 HG12 ILE 21 HG12 ILE 21 0.990 9.423 1.777
143 HG13 ILE 21 HG11 ILE 21 -0.348 8.339 1.409
144 HG21 ILE 21 HG21 ILE 21 1.816 8.173 4.423
145 HG22 ILE 21 HG22 ILE 21 2.958 8.555 3.134
146 HG23 ILE 21 HG23 ILE 21 2.885 6.920 3.794
147 HD11 ILE 21 HD11 ILE 21 -0.987 10.014 3.037
148 HD12 ILE 21 HD12 ILE 21 0.307 9.484 4.112
149 HD13 ILE 21 HD13 ILE 21 -1.036 8.399 3.746
150 H HIS 22 HN HIS 22 1.198 4.507 1.736
151 HA HIS 22 HA HIS 22 3.472 3.460 2.964
152 HD1 HIS 22 HD1 HIS 22 3.281 0.751 4.334
153 HD2 HIS 22 HD2 HIS 22 2.536 -0.061 0.319
154 HE1 HIS 22 HE1 HIS 22 4.324 -1.503 3.853
155 HB2 HIS 22 HB2 HIS 22 1.405 2.262 3.165
156 HB3 HIS 22 HB1 HIS 22 1.259 2.095 1.418
157 H VAL 23 HN VAL 23 2.435 3.187 -0.447
158 HA VAL 23 HA VAL 23 4.603 1.604 -1.269
159 HB VAL 23 HB VAL 23 2.949 3.518 -2.937
160 HG11 VAL 23 HG11 VAL 23 4.714 1.225 -3.791
161 HG12 VAL 23 HG12 VAL 23 5.026 2.939 -4.064
162 HG13 VAL 23 HG13 VAL 23 3.653 2.157 -4.849
163 HG21 VAL 23 HG21 VAL 23 1.588 1.838 -1.829
164 HG22 VAL 23 HG22 VAL 23 2.644 0.559 -2.432
165 HG23 VAL 23 HG23 VAL 23 1.677 1.513 -3.559
166 H MET 24 HN MET 24 4.231 5.115 -1.071
167 HA MET 24 HA MET 24 6.565 5.863 -2.441
168 HB2 MET 24 HB2 MET 24 5.179 7.217 -0.119
169 HB3 MET 24 HB1 MET 24 6.454 7.956 -1.077
170 HG2 MET 24 HG2 MET 24 5.079 7.900 -3.044
171 HG3 MET 24 HG1 MET 24 3.827 7.001 -2.188
172 HE1 MET 24 HE1 MET 24 2.030 10.410 -2.647
173 HE2 MET 24 HE2 MET 24 1.904 8.656 -2.797
174 HE3 MET 24 HE3 MET 24 3.047 9.546 -3.799
175 H GLU 25 HN GLU 25 6.041 4.825 0.878
176 HA GLU 25 HA GLU 25 8.912 5.115 1.466
177 HB2 GLU 25 HB2 GLU 25 7.059 5.949 3.030
178 HB3 GLU 25 HB1 GLU 25 6.727 4.258 3.366
179 HG2 GLU 25 HG2 GLU 25 8.099 4.913 5.110
180 HG3 GLU 25 HG1 GLU 25 9.197 4.092 4.003
181 H CYS 26 HN CYS 26 7.092 2.911 0.004
182 HA CYS 26 HA CYS 26 7.472 0.625 1.676
183 HB2 CYS 26 HB2 CYS 26 5.438 0.773 0.430
184 HB3 CYS 26 HB1 CYS 26 6.314 0.914 -1.086
185 H ILE 27 HN ILE 27 9.718 0.388 1.820
186 HA ILE 27 HA ILE 27 10.919 -0.936 -0.497
187 HB ILE 27 HB ILE 27 12.876 -1.325 0.982
188 HG12 ILE 27 HG12 ILE 27 11.294 0.297 2.987
189 HG13 ILE 27 HG11 ILE 27 11.680 -1.415 3.124
190 HG21 ILE 27 HG21 ILE 27 11.928 1.532 0.829
191 HG22 ILE 27 HG22 ILE 27 12.796 0.646 -0.425
192 HG23 ILE 27 HG23 ILE 27 13.595 1.021 1.103
193 HD11 ILE 27 HD11 ILE 27 13.145 -0.102 4.514
194 HD12 ILE 27 HD12 ILE 27 13.646 0.860 3.124
195 HD13 ILE 27 HD13 ILE 27 14.064 -0.852 3.208
196 H GLU 28 HN GLU 28 8.986 -1.496 2.182
197 HA GLU 28 HA GLU 28 9.404 -4.393 2.130
198 HB2 GLU 28 HB2 GLU 28 8.005 -2.541 4.054
199 HB3 GLU 28 HB1 GLU 28 7.757 -4.279 4.103
200 HG2 GLU 28 HG2 GLU 28 10.469 -3.009 4.303
201 HG3 GLU 28 HG1 GLU 28 9.453 -3.346 5.705
Start of MODEL 4
1 HA SER 1 HA SER 1 -13.821 -3.605 -3.722
2 HG SER 1 HG SER 1 -16.133 -4.692 -1.346
3 H1 SER 1 HT1 SER 1 -12.102 -5.236 -3.134
4 H2 SER 1 HT2 SER 1 -11.503 -4.162 -1.965
5 H3 SER 1 HT3 SER 1 -11.480 -3.733 -3.609
6 HB2 SER 1 HB2 SER 1 -14.259 -5.497 -2.172
7 HB3 SER 1 HB1 SER 1 -13.804 -4.471 -0.814
8 H SER 2 HN SER 2 -13.605 -2.788 -0.351
9 HA SER 2 HA SER 2 -13.117 0.024 -1.049
10 HG SER 2 HG SER 2 -13.366 1.334 0.874
11 HB2 SER 2 HB2 SER 2 -15.181 -0.658 0.305
12 HB3 SER 2 HB1 SER 2 -14.075 -1.059 1.615
13 H ASP 3 HN ASP 3 -11.047 -1.700 -1.234
14 HA ASP 3 HA ASP 3 -9.195 -0.867 0.810
15 HB2 ASP 3 HB2 ASP 3 -8.568 -3.077 1.529
16 HB3 ASP 3 HB1 ASP 3 -10.314 -2.947 1.722
17 H PHE 4 HN PHE 4 -7.010 -1.333 0.187
18 HA PHE 4 HA PHE 4 -6.680 -2.249 -2.586
19 HD1 PHE 4 HD1 PHE 4 -7.467 1.355 -0.959
20 HD2 PHE 4 HD2 PHE 4 -6.499 -0.188 -4.804
21 HE1 PHE 4 HE1 PHE 4 -9.246 2.734 -1.953
22 HE2 PHE 4 HE2 PHE 4 -8.273 1.188 -5.808
23 HZ PHE 4 HZ PHE 4 -9.662 2.622 -4.399
24 HB2 PHE 4 HB2 PHE 4 -5.379 0.193 -1.348
25 HB3 PHE 4 HB1 PHE 4 -4.995 -0.468 -2.935
26 H CYS 5 HN CYS 5 -4.424 -2.921 -3.053
27 HA CYS 5 HA CYS 5 -3.029 -3.828 -0.617
28 HG CYS 5 HG CYS 5 -1.712 -7.188 -2.702
29 HB2 CYS 5 HB2 CYS 5 -4.282 -5.694 -1.601
30 HB3 CYS 5 HB1 CYS 5 -3.503 -5.416 -3.153
31 H CYS 6 HN CYS 6 -0.803 -3.841 -0.685
32 HA CYS 6 HA CYS 6 0.462 -2.222 -2.699
33 HB2 CYS 6 HB2 CYS 6 1.197 -2.145 -0.341
34 HB3 CYS 6 HB1 CYS 6 1.688 -3.833 -0.443
35 HA PRO 7 HA PRO 7 0.835 -5.779 -5.326
36 HB2 PRO 7 HB2 PRO 7 1.965 -4.549 -7.445
37 HB3 PRO 7 HB1 PRO 7 0.265 -4.329 -7.016
38 HG2 PRO 7 HG2 PRO 7 2.604 -2.552 -6.442
39 HG3 PRO 7 HG1 PRO 7 0.982 -2.115 -7.008
40 HD2 PRO 7 HD2 PRO 7 1.751 -1.887 -4.415
41 HD3 PRO 7 HD1 PRO 7 0.079 -2.235 -4.898
42 H LYS 8 HN LYS 8 3.077 -5.176 -3.355
43 HA LYS 8 HA LYS 8 5.152 -6.579 -4.859
44 HB2 LYS 8 HB2 LYS 8 5.631 -4.100 -4.899
45 HB3 LYS 8 HB1 LYS 8 5.819 -4.185 -3.152
46 HG2 LYS 8 HG2 LYS 8 7.611 -5.876 -3.490
47 HG3 LYS 8 HG1 LYS 8 7.482 -5.591 -5.226
48 HD2 LYS 8 HD2 LYS 8 7.979 -3.199 -4.823
49 HD3 LYS 8 HD1 LYS 8 8.218 -3.572 -3.117
50 HE2 LYS 8 HE2 LYS 8 10.363 -3.514 -4.156
51 HE3 LYS 8 HE1 LYS 8 9.982 -5.195 -3.790
52 HZ1 LYS 8 HZ1 LYS 8 9.590 -3.932 -6.452
53 HZ2 LYS 8 HZ2 LYS 8 9.414 -5.578 -6.069
54 HZ3 LYS 8 HZ3 LYS 8 10.943 -4.858 -6.019
55 H CYS 9 HN CYS 9 3.764 -5.616 -1.788
56 HA CYS 9 HA CYS 9 5.067 -7.909 -0.530
57 HB2 CYS 9 HB2 CYS 9 5.640 -6.636 1.459
58 HB3 CYS 9 HB1 CYS 9 6.388 -5.882 0.058
59 H GLN 10 HN GLN 10 4.067 -8.101 1.819
60 HA GLN 10 HA GLN 10 1.228 -8.393 1.343
61 HB2 GLN 10 HB2 GLN 10 3.063 -9.283 3.553
62 HB3 GLN 10 HB1 GLN 10 1.321 -9.447 3.679
63 HG2 GLN 10 HG2 GLN 10 2.287 -11.532 2.975
64 HG3 GLN 10 HG1 GLN 10 1.318 -10.858 1.670
65 HE21 GLN 10 HE21 GLN 10 2.304 -10.263 -0.223
66 HE22 GLN 10 HE22 GLN 10 3.955 -10.638 -0.588
67 H TYR 11 HN TYR 11 0.559 -6.234 1.338
68 HA TYR 11 HA TYR 11 -0.117 -5.254 3.965
69 HD1 TYR 11 HD2 TYR 11 -0.171 -1.688 2.033
70 HD2 TYR 11 HD1 TYR 11 1.377 -3.175 5.712
71 HE1 TYR 11 HE2 TYR 11 -1.013 0.312 3.194
72 HE2 TYR 11 HE1 TYR 11 0.546 -1.179 6.876
73 HH TYR 11 HH TYR 11 -1.698 0.918 5.569
74 HB2 TYR 11 HB2 TYR 11 2.062 -4.154 3.589
75 HB3 TYR 11 HB1 TYR 11 1.472 -3.509 2.062
76 H GLN 12 HN GLN 12 -2.124 -4.430 3.916
77 HA GLN 12 HA GLN 12 -3.130 -3.477 1.330
78 HB2 GLN 12 HB2 GLN 12 -5.306 -4.399 1.791
79 HB3 GLN 12 HB1 GLN 12 -4.117 -5.680 1.945
80 HG2 GLN 12 HG2 GLN 12 -5.369 -6.116 3.778
81 HG3 GLN 12 HG1 GLN 12 -4.220 -4.983 4.489
82 HE21 GLN 12 HE21 GLN 12 -6.790 -4.036 2.307
83 HE22 GLN 12 HE22 GLN 12 -7.720 -3.173 3.483
84 H ALA 13 HN ALA 13 -4.620 -1.744 1.416
85 HA ALA 13 HA ALA 13 -4.580 -0.240 3.948
86 HB1 ALA 13 HB1 ALA 13 -4.138 1.808 2.720
87 HB2 ALA 13 HB2 ALA 13 -4.101 0.910 1.201
88 HB3 ALA 13 HB3 ALA 13 -2.861 0.629 2.424
89 HA PRO 14 HA PRO 14 -8.967 0.060 3.167
90 HB2 PRO 14 HB2 PRO 14 -8.877 2.367 4.994
91 HB3 PRO 14 HB1 PRO 14 -9.763 0.847 5.149
92 HG2 PRO 14 HG2 PRO 14 -7.635 1.395 6.684
93 HG3 PRO 14 HG1 PRO 14 -7.971 -0.250 6.116
94 HD2 PRO 14 HD2 PRO 14 -5.988 1.743 5.086
95 HD3 PRO 14 HD1 PRO 14 -5.807 -0.009 5.322
96 H ASP 15 HN ASP 15 -6.990 2.995 3.326
97 HA ASP 15 HA ASP 15 -8.705 4.246 1.297
98 HB2 ASP 15 HB2 ASP 15 -6.641 5.422 3.168
99 HB3 ASP 15 HB1 ASP 15 -7.415 6.335 1.878
100 H MET 16 HN MET 16 -7.896 4.904 -0.662
101 HA MET 16 HA MET 16 -5.586 3.603 -1.669
102 HB2 MET 16 HB2 MET 16 -7.535 4.322 -3.054
103 HB3 MET 16 HB1 MET 16 -7.024 5.991 -2.845
104 HG2 MET 16 HG2 MET 16 -4.933 5.505 -3.989
105 HG3 MET 16 HG1 MET 16 -5.415 3.818 -4.170
106 HE1 MET 16 HE1 MET 16 -4.469 5.648 -6.601
107 HE2 MET 16 HE2 MET 16 -5.650 5.190 -7.827
108 HE3 MET 16 HE3 MET 16 -4.951 3.960 -6.774
109 H ASP 17 HN ASP 17 -6.160 6.691 -0.201
110 HA ASP 17 HA ASP 17 -3.798 8.040 -0.874
111 HB2 ASP 17 HB2 ASP 17 -5.214 8.166 1.796
112 HB3 ASP 17 HB1 ASP 17 -4.181 9.402 1.088
113 H THR 18 HN THR 18 -4.562 6.070 1.976
114 HA THR 18 HA THR 18 -2.054 6.050 3.160
115 HB THR 18 HB THR 18 -4.017 3.751 3.218
116 HG1 THR 18 HG1 THR 18 -5.191 4.884 4.682
117 HG21 THR 18 HG21 THR 18 -2.020 4.765 5.244
118 HG22 THR 18 HG22 THR 18 -1.877 3.288 4.292
119 HG23 THR 18 HG23 THR 18 -3.154 3.440 5.500
120 H LEU 19 HN LEU 19 -3.417 3.939 0.671
121 HA LEU 19 HA LEU 19 -1.373 2.054 0.502
122 HG LEU 19 HG LEU 19 -1.085 1.868 -2.509
123 HB2 LEU 19 HB2 LEU 19 -3.484 1.813 -0.691
124 HB3 LEU 19 HB1 LEU 19 -3.089 3.190 -1.705
125 HD11 LEU 19 HD11 LEU 19 -1.004 0.247 -0.692
126 HD12 LEU 19 HD12 LEU 19 -1.189 -0.555 -2.252
127 HD13 LEU 19 HD13 LEU 19 -2.578 -0.385 -1.179
128 HD21 LEU 19 HD21 LEU 19 -3.845 0.805 -3.071
129 HD22 LEU 19 HD22 LEU 19 -2.420 0.525 -4.072
130 HD23 LEU 19 HD23 LEU 19 -3.058 2.159 -3.880
131 H GLN 20 HN GLN 20 -1.778 5.056 -1.386
132 HA GLN 20 HA GLN 20 0.644 4.810 -2.793
133 HB2 GLN 20 HB2 GLN 20 -0.966 7.287 -2.143
134 HB3 GLN 20 HB1 GLN 20 0.360 7.227 -3.298
135 HG2 GLN 20 HG2 GLN 20 -0.915 5.497 -4.563
136 HG3 GLN 20 HG1 GLN 20 -2.270 5.775 -3.471
137 HE21 GLN 20 HE21 GLN 20 -3.403 7.714 -3.597
138 HE22 GLN 20 HE22 GLN 20 -3.285 8.763 -4.973
139 H ILE 21 HN ILE 21 -0.142 6.419 0.257
140 HA ILE 21 HA ILE 21 2.348 7.614 0.737
141 HB ILE 21 HB ILE 21 0.396 6.465 2.744
142 HG12 ILE 21 HG12 ILE 21 0.807 9.300 1.761
143 HG13 ILE 21 HG11 ILE 21 -0.524 8.245 1.294
144 HG21 ILE 21 HG21 ILE 21 1.508 7.911 4.386
145 HG22 ILE 21 HG22 ILE 21 2.688 8.387 3.165
146 HG23 ILE 21 HG23 ILE 21 2.622 6.714 3.723
147 HD11 ILE 21 HD11 ILE 21 -1.293 8.207 3.617
148 HD12 ILE 21 HD12 ILE 21 -1.219 9.850 2.978
149 HD13 ILE 21 HD13 ILE 21 0.040 9.267 4.069
150 H HIS 22 HN HIS 22 1.139 4.380 1.648
151 HA HIS 22 HA HIS 22 3.494 3.503 2.894
152 HD1 HIS 22 HD1 HIS 22 3.470 0.625 4.293
153 HD2 HIS 22 HD2 HIS 22 2.571 0.002 0.278
154 HE1 HIS 22 HE1 HIS 22 4.533 -1.590 3.650
155 HB2 HIS 22 HB2 HIS 22 1.565 2.196 3.291
156 HB3 HIS 22 HB1 HIS 22 1.230 2.020 1.572
157 H VAL 23 HN VAL 23 2.463 3.303 -0.503
158 HA VAL 23 HA VAL 23 4.602 1.658 -1.331
159 HB VAL 23 HB VAL 23 3.030 3.625 -3.019
160 HG11 VAL 23 HG11 VAL 23 5.103 2.941 -4.107
161 HG12 VAL 23 HG12 VAL 23 3.711 2.211 -4.908
162 HG13 VAL 23 HG13 VAL 23 4.706 1.244 -3.818
163 HG21 VAL 23 HG21 VAL 23 1.597 1.982 -1.899
164 HG22 VAL 23 HG22 VAL 23 2.591 0.674 -2.545
165 HG23 VAL 23 HG23 VAL 23 1.664 1.701 -3.639
166 H MET 24 HN MET 24 4.323 5.131 -0.896
167 HA MET 24 HA MET 24 6.774 5.823 -2.163
168 HB2 MET 24 HB2 MET 24 5.267 7.238 0.050
169 HB3 MET 24 HB1 MET 24 6.625 7.919 -0.833
170 HG2 MET 24 HG2 MET 24 3.954 7.150 -1.980
171 HG3 MET 24 HG1 MET 24 4.537 8.786 -1.678
172 HE1 MET 24 HE1 MET 24 3.342 7.876 -4.451
173 HE2 MET 24 HE2 MET 24 4.492 8.582 -5.586
174 HE3 MET 24 HE3 MET 24 3.972 9.500 -4.173
175 H GLU 25 HN GLU 25 5.892 4.790 1.066
176 HA GLU 25 HA GLU 25 8.566 5.065 2.134
177 HB2 GLU 25 HB2 GLU 25 6.228 3.512 3.263
178 HB3 GLU 25 HB1 GLU 25 7.659 4.044 4.133
179 HG2 GLU 25 HG2 GLU 25 6.981 6.339 3.952
180 HG3 GLU 25 HG1 GLU 25 5.631 5.897 2.906
181 H CYS 26 HN CYS 26 6.989 2.883 0.155
182 HA CYS 26 HA CYS 26 8.283 0.495 1.188
183 HB2 CYS 26 HB2 CYS 26 5.847 0.521 0.578
184 HB3 CYS 26 HB1 CYS 26 6.319 0.775 -1.097
185 H ILE 27 HN ILE 27 10.101 -0.215 0.367
186 HA ILE 27 HA ILE 27 11.420 0.945 -1.843
187 HB ILE 27 HB ILE 27 12.976 -0.999 -1.678
188 HG12 ILE 27 HG12 ILE 27 11.125 -1.854 0.561
189 HG13 ILE 27 HG11 ILE 27 11.342 -2.695 -0.970
190 HG21 ILE 27 HG21 ILE 27 13.299 1.036 -0.357
191 HG22 ILE 27 HG22 ILE 27 13.876 -0.394 0.499
192 HG23 ILE 27 HG23 ILE 27 12.336 0.341 0.946
193 HD11 ILE 27 HD11 ILE 27 13.677 -3.121 -0.393
194 HD12 ILE 27 HD12 ILE 27 12.568 -3.798 0.799
195 HD13 ILE 27 HD13 ILE 27 13.439 -2.305 1.149
196 H GLU 28 HN GLU 28 11.507 0.366 -3.970
197 HA GLU 28 HA GLU 28 9.828 -1.903 -4.795
198 HB2 GLU 28 HB2 GLU 28 9.092 0.675 -5.167
199 HB3 GLU 28 HB1 GLU 28 10.038 0.424 -6.625
200 HG2 GLU 28 HG2 GLU 28 7.747 -1.329 -5.769
201 HG3 GLU 28 HG1 GLU 28 7.602 0.019 -6.891
Start of MODEL 5
1 HA SER 1 HA SER 1 -8.591 -5.328 4.063
2 HG SER 1 HG SER 1 -9.677 -6.021 6.755
3 H1 SER 1 HT1 SER 1 -10.469 -3.057 4.271
4 H2 SER 1 HT2 SER 1 -8.940 -2.985 3.555
5 H3 SER 1 HT3 SER 1 -9.081 -3.310 5.212
6 HB2 SER 1 HB2 SER 1 -11.502 -5.223 4.890
7 HB3 SER 1 HB1 SER 1 -10.452 -6.643 4.906
8 H SER 2 HN SER 2 -8.451 -6.147 2.101
9 HA SER 2 HA SER 2 -8.760 -6.478 -0.119
10 HG SER 2 HG SER 2 -11.118 -8.909 0.978
11 HB2 SER 2 HB2 SER 2 -11.628 -6.739 0.811
12 HB3 SER 2 HB1 SER 2 -11.026 -7.274 -0.760
13 H ASP 3 HN ASP 3 -8.688 -3.747 0.667
14 HA ASP 3 HA ASP 3 -10.479 -2.488 -1.296
15 HB2 ASP 3 HB2 ASP 3 -8.737 -1.196 0.821
16 HB3 ASP 3 HB1 ASP 3 -9.820 -0.345 -0.275
17 H PHE 4 HN PHE 4 -7.191 -1.875 -0.127
18 HA PHE 4 HA PHE 4 -6.202 -2.063 -2.888
19 HD1 PHE 4 HD2 PHE 4 -6.007 0.379 -4.450
20 HD2 PHE 4 HD1 PHE 4 -7.458 1.146 -0.522
21 HE1 PHE 4 HE2 PHE 4 -7.703 1.900 -5.379
22 HE2 PHE 4 HE1 PHE 4 -9.156 2.666 -1.446
23 HZ PHE 4 HZ PHE 4 -9.282 3.045 -3.876
24 HB2 PHE 4 HB2 PHE 4 -5.387 0.016 -0.839
25 HB3 PHE 4 HB1 PHE 4 -4.683 -0.178 -2.439
26 H CYS 5 HN CYS 5 -4.058 -2.859 -3.064
27 HA CYS 5 HA CYS 5 -2.903 -3.894 -0.565
28 HG CYS 5 HG CYS 5 -2.479 -6.955 -0.148
29 HB2 CYS 5 HB2 CYS 5 -4.207 -5.690 -1.690
30 HB3 CYS 5 HB1 CYS 5 -3.193 -5.502 -3.115
31 H CYS 6 HN CYS 6 -0.665 -4.111 -0.542
32 HA CYS 6 HA CYS 6 0.746 -2.521 -2.504
33 HB2 CYS 6 HB2 CYS 6 1.358 -2.267 -0.165
34 HB3 CYS 6 HB1 CYS 6 1.712 -3.987 -0.038
35 HA PRO 7 HA PRO 7 1.841 -6.170 -4.827
36 HB2 PRO 7 HB2 PRO 7 3.052 -4.949 -6.872
37 HB3 PRO 7 HB1 PRO 7 1.305 -4.826 -6.628
38 HG2 PRO 7 HG2 PRO 7 3.453 -2.851 -5.989
39 HG3 PRO 7 HG1 PRO 7 1.837 -2.573 -6.659
40 HD2 PRO 7 HD2 PRO 7 2.528 -2.237 -3.995
41 HD3 PRO 7 HD1 PRO 7 0.877 -2.493 -4.597
42 H LYS 8 HN LYS 8 3.822 -4.541 -2.868
43 HA LYS 8 HA LYS 8 6.273 -5.819 -3.885
44 HB2 LYS 8 HB2 LYS 8 5.912 -3.306 -2.254
45 HB3 LYS 8 HB1 LYS 8 7.471 -4.091 -2.463
46 HG2 LYS 8 HG2 LYS 8 7.456 -3.698 -4.801
47 HG3 LYS 8 HG1 LYS 8 5.772 -3.181 -4.767
48 HD2 LYS 8 HD2 LYS 8 6.372 -1.205 -3.494
49 HD3 LYS 8 HD1 LYS 8 8.051 -1.746 -3.407
50 HE2 LYS 8 HE2 LYS 8 8.403 -1.402 -5.690
51 HE3 LYS 8 HE1 LYS 8 6.679 -1.351 -6.043
52 HZ1 LYS 8 HZ1 LYS 8 6.603 0.757 -4.756
53 HZ2 LYS 8 HZ2 LYS 8 7.516 0.845 -6.168
54 HZ3 LYS 8 HZ3 LYS 8 8.295 0.737 -4.670
55 H CYS 9 HN CYS 9 4.077 -5.480 -1.284
56 HA CYS 9 HA CYS 9 5.095 -7.807 0.018
57 HB2 CYS 9 HB2 CYS 9 5.465 -6.798 2.217
58 HB3 CYS 9 HB1 CYS 9 6.547 -6.063 1.040
59 H GLN 10 HN GLN 10 3.537 -8.499 1.713
60 HA GLN 10 HA GLN 10 0.911 -7.939 0.707
61 HB2 GLN 10 HB2 GLN 10 1.689 -10.227 1.368
62 HB3 GLN 10 HB1 GLN 10 1.669 -9.698 3.045
63 HG2 GLN 10 HG2 GLN 10 -0.332 -10.953 2.519
64 HG3 GLN 10 HG1 GLN 10 -0.734 -9.276 2.884
65 HE21 GLN 10 HE21 GLN 10 -2.697 -9.447 1.778
66 HE22 GLN 10 HE22 GLN 10 -2.766 -9.474 0.049
67 H TYR 11 HN TYR 11 0.633 -5.789 1.250
68 HA TYR 11 HA TYR 11 -0.069 -5.327 4.067
69 HD1 TYR 11 HD1 TYR 11 0.968 -3.344 5.821
70 HD2 TYR 11 HD2 TYR 11 -0.140 -1.466 2.163
71 HE1 TYR 11 HE1 TYR 11 0.115 -1.413 7.075
72 HE2 TYR 11 HE2 TYR 11 -0.995 0.469 3.412
73 HH TYR 11 HH TYR 11 -0.322 0.971 6.694
74 HB2 TYR 11 HB2 TYR 11 1.929 -4.041 3.593
75 HB3 TYR 11 HB1 TYR 11 1.218 -3.401 2.116
76 H GLN 12 HN GLN 12 -2.168 -5.004 4.283
77 HA GLN 12 HA GLN 12 -3.765 -4.308 1.949
78 HB2 GLN 12 HB2 GLN 12 -4.652 -5.023 4.751
79 HB3 GLN 12 HB1 GLN 12 -5.687 -4.892 3.335
80 HG2 GLN 12 HG2 GLN 12 -3.492 -6.908 3.745
81 HG3 GLN 12 HG1 GLN 12 -5.225 -7.212 3.869
82 HE21 GLN 12 HE21 GLN 12 -6.462 -7.303 2.005
83 HE22 GLN 12 HE22 GLN 12 -5.751 -7.471 0.428
84 H ALA 13 HN ALA 13 -4.512 -2.341 1.580
85 HA ALA 13 HA ALA 13 -4.546 -0.407 3.811
86 HB1 ALA 13 HB1 ALA 13 -4.008 0.143 0.890
87 HB2 ALA 13 HB2 ALA 13 -2.811 0.155 2.185
88 HB3 ALA 13 HB3 ALA 13 -4.102 1.357 2.166
89 HA PRO 14 HA PRO 14 -8.863 -0.244 2.718
90 HB2 PRO 14 HB2 PRO 14 -9.657 1.495 4.613
91 HB3 PRO 14 HB1 PRO 14 -9.219 -0.173 4.992
92 HG2 PRO 14 HG2 PRO 14 -7.668 2.335 5.387
93 HG3 PRO 14 HG1 PRO 14 -7.734 0.883 6.399
94 HD2 PRO 14 HD2 PRO 14 -5.713 1.509 4.593
95 HD3 PRO 14 HD1 PRO 14 -6.033 -0.102 5.259
96 H ASP 15 HN ASP 15 -6.937 2.668 3.167
97 HA ASP 15 HA ASP 15 -8.734 4.145 1.376
98 HB2 ASP 15 HB2 ASP 15 -8.489 5.264 3.476
99 HB3 ASP 15 HB1 ASP 15 -6.736 5.083 3.438
100 H MET 16 HN MET 16 -7.905 5.301 -0.384
101 HA MET 16 HA MET 16 -5.770 3.993 -1.723
102 HB2 MET 16 HB2 MET 16 -7.689 4.957 -2.926
103 HB3 MET 16 HB1 MET 16 -7.174 6.570 -2.447
104 HG2 MET 16 HG2 MET 16 -5.099 6.288 -3.699
105 HG3 MET 16 HG1 MET 16 -5.606 4.669 -4.174
106 HE1 MET 16 HE1 MET 16 -4.676 6.875 -6.284
107 HE2 MET 16 HE2 MET 16 -5.891 6.619 -7.538
108 HE3 MET 16 HE3 MET 16 -5.185 5.239 -6.697
109 H ASP 17 HN ASP 17 -6.035 7.137 -0.106
110 HA ASP 17 HA ASP 17 -3.545 8.197 -0.907
111 HB2 ASP 17 HB2 ASP 17 -5.434 9.421 0.282
112 HB3 ASP 17 HB1 ASP 17 -4.875 8.669 1.761
113 H THR 18 HN THR 18 -4.551 6.525 2.009
114 HA THR 18 HA THR 18 -2.170 6.145 3.326
115 HB THR 18 HB THR 18 -4.356 4.075 3.019
116 HG1 THR 18 HG1 THR 18 -4.231 6.522 4.288
117 HG21 THR 18 HG21 THR 18 -2.318 3.196 4.078
118 HG22 THR 18 HG22 THR 18 -3.649 3.307 5.232
119 HG23 THR 18 HG23 THR 18 -2.360 4.514 5.251
120 H LEU 19 HN LEU 19 -3.471 4.191 0.652
121 HA LEU 19 HA LEU 19 -1.414 2.287 0.533
122 HG LEU 19 HG LEU 19 -1.083 2.105 -2.468
123 HB2 LEU 19 HB2 LEU 19 -3.506 2.012 -0.682
124 HB3 LEU 19 HB1 LEU 19 -3.132 3.401 -1.686
125 HD11 LEU 19 HD11 LEU 19 -2.610 -0.167 -1.210
126 HD12 LEU 19 HD12 LEU 19 -1.034 0.439 -0.700
127 HD13 LEU 19 HD13 LEU 19 -1.217 -0.330 -2.277
128 HD21 LEU 19 HD21 LEU 19 -3.847 1.116 -3.128
129 HD22 LEU 19 HD22 LEU 19 -2.402 0.780 -4.080
130 HD23 LEU 19 HD23 LEU 19 -2.979 2.438 -3.907
131 H GLN 20 HN GLN 20 -1.796 5.384 -1.170
132 HA GLN 20 HA GLN 20 0.494 5.193 -2.776
133 HB2 GLN 20 HB2 GLN 20 -0.712 7.736 -1.662
134 HB3 GLN 20 HB1 GLN 20 0.311 7.597 -3.082
135 HG2 GLN 20 HG2 GLN 20 -2.464 6.482 -2.771
136 HG3 GLN 20 HG1 GLN 20 -2.007 7.907 -3.700
137 HE21 GLN 20 HE21 GLN 20 -2.048 4.455 -3.586
138 HE22 GLN 20 HE22 GLN 20 -1.582 4.188 -5.230
139 H ILE 21 HN ILE 21 0.017 6.723 0.387
140 HA ILE 21 HA ILE 21 2.597 7.675 0.814
141 HB ILE 21 HB ILE 21 0.765 6.504 2.918
142 HG12 ILE 21 HG12 ILE 21 0.969 9.365 1.959
143 HG13 ILE 21 HG11 ILE 21 -0.317 8.250 1.505
144 HG21 ILE 21 HG21 ILE 21 3.005 8.516 3.131
145 HG22 ILE 21 HG22 ILE 21 3.039 6.852 3.714
146 HG23 ILE 21 HG23 ILE 21 1.939 8.021 4.447
147 HD11 ILE 21 HD11 ILE 21 -1.015 8.090 3.824
148 HD12 ILE 21 HD12 ILE 21 -1.009 9.767 3.281
149 HD13 ILE 21 HD13 ILE 21 0.294 9.168 4.303
150 H HIS 22 HN HIS 22 1.200 4.505 1.609
151 HA HIS 22 HA HIS 22 3.482 3.434 2.826
152 HD1 HIS 22 HD1 HIS 22 3.118 0.733 4.357
153 HD2 HIS 22 HD2 HIS 22 2.536 -0.056 0.312
154 HE1 HIS 22 HE1 HIS 22 4.228 -1.497 3.889
155 HB2 HIS 22 HB2 HIS 22 1.393 2.316 3.151
156 HB3 HIS 22 HB1 HIS 22 1.178 2.081 1.418
157 H VAL 23 HN VAL 23 2.432 3.338 -0.577
158 HA VAL 23 HA VAL 23 4.456 1.546 -1.414
159 HB VAL 23 HB VAL 23 2.952 3.614 -3.046
160 HG11 VAL 23 HG11 VAL 23 5.004 2.916 -4.171
161 HG12 VAL 23 HG12 VAL 23 3.579 2.286 -4.997
162 HG13 VAL 23 HG13 VAL 23 4.545 1.224 -3.972
163 HG21 VAL 23 HG21 VAL 23 2.440 0.661 -2.677
164 HG22 VAL 23 HG22 VAL 23 1.526 1.755 -3.716
165 HG23 VAL 23 HG23 VAL 23 1.492 1.970 -1.966
166 H MET 24 HN MET 24 4.343 5.081 -1.264
167 HA MET 24 HA MET 24 6.905 5.459 -2.459
168 HB2 MET 24 HB2 MET 24 5.398 7.288 -0.575
169 HB3 MET 24 HB1 MET 24 6.760 7.748 -1.587
170 HG2 MET 24 HG2 MET 24 4.037 6.869 -2.523
171 HG3 MET 24 HG1 MET 24 4.704 8.499 -2.586
172 HE1 MET 24 HE1 MET 24 3.982 8.567 -5.167
173 HE2 MET 24 HE2 MET 24 3.396 6.907 -5.069
174 HE3 MET 24 HE3 MET 24 4.508 7.375 -6.355
175 H GLU 25 HN GLU 25 5.794 4.586 0.652
176 HA GLU 25 HA GLU 25 8.321 5.107 1.997
177 HB2 GLU 25 HB2 GLU 25 6.219 5.530 3.168
178 HB3 GLU 25 HB1 GLU 25 5.712 3.871 2.910
179 HG2 GLU 25 HG2 GLU 25 7.640 3.149 4.315
180 HG3 GLU 25 HG1 GLU 25 7.933 4.851 4.679
181 H CYS 26 HN CYS 26 6.918 2.696 0.127
182 HA CYS 26 HA CYS 26 7.968 0.430 1.579
183 HB2 CYS 26 HB2 CYS 26 5.733 0.447 0.415
184 HB3 CYS 26 HB1 CYS 26 6.598 0.453 -1.112
185 H ILE 27 HN ILE 27 10.065 1.683 1.196
186 HA ILE 27 HA ILE 27 12.230 1.344 0.603
187 HB ILE 27 HB ILE 27 11.212 -0.772 -1.301
188 HG12 ILE 27 HG12 ILE 27 12.433 -1.038 1.457
189 HG13 ILE 27 HG11 ILE 27 10.726 -1.245 1.087
190 HG21 ILE 27 HG21 ILE 27 14.007 -0.181 -0.325
191 HG22 ILE 27 HG22 ILE 27 13.396 0.067 -1.960
192 HG23 ILE 27 HG23 ILE 27 13.537 -1.564 -1.310
193 HD11 ILE 27 HD11 ILE 27 11.864 -3.381 1.325
194 HD12 ILE 27 HD12 ILE 27 12.973 -2.946 0.026
195 HD13 ILE 27 HD13 ILE 27 11.256 -3.160 -0.315
196 H GLU 28 HN GLU 28 10.694 0.687 -2.540
197 HA GLU 28 HA GLU 28 12.157 3.012 -3.566
198 HB2 GLU 28 HB2 GLU 28 11.898 1.869 -5.814
199 HB3 GLU 28 HB1 GLU 28 12.987 1.104 -4.669
200 HG2 GLU 28 HG2 GLU 28 11.304 -0.552 -4.131
201 HG3 GLU 28 HG1 GLU 28 10.152 0.242 -5.205
Start of MODEL 6
1 HA SER 1 HA SER 1 -8.102 -8.204 -4.887
2 HG SER 1 HG SER 1 -7.441 -4.520 -4.627
3 H1 SER 1 HT1 SER 1 -9.278 -6.041 -6.518
4 H2 SER 1 HT2 SER 1 -9.848 -7.632 -6.365
5 H3 SER 1 HT3 SER 1 -8.363 -7.334 -7.129
6 HB2 SER 1 HB2 SER 1 -6.520 -6.433 -4.115
7 HB3 SER 1 HB1 SER 1 -6.332 -6.826 -5.823
8 H SER 2 HN SER 2 -8.403 -7.953 -2.650
9 HA SER 2 HA SER 2 -10.769 -6.507 -1.890
10 HG SER 2 HG SER 2 -11.323 -8.732 -1.308
11 HB2 SER 2 HB2 SER 2 -8.776 -8.074 -0.231
12 HB3 SER 2 HB1 SER 2 -10.316 -7.448 0.360
13 H ASP 3 HN ASP 3 -10.514 -4.365 -1.968
14 HA ASP 3 HA ASP 3 -9.855 -2.262 -1.456
15 HB2 ASP 3 HB2 ASP 3 -8.460 -3.654 0.833
16 HB3 ASP 3 HB1 ASP 3 -8.450 -1.906 0.619
17 H PHE 4 HN PHE 4 -7.320 -1.371 -0.454
18 HA PHE 4 HA PHE 4 -5.848 -1.647 -2.958
19 HD1 PHE 4 HD2 PHE 4 -5.716 1.022 -4.208
20 HD2 PHE 4 HD1 PHE 4 -7.700 1.047 -0.448
21 HE1 PHE 4 HE2 PHE 4 -7.465 2.478 -5.143
22 HE2 PHE 4 HE1 PHE 4 -9.452 2.501 -1.373
23 HZ PHE 4 HZ PHE 4 -9.336 3.225 -3.725
24 HB2 PHE 4 HB2 PHE 4 -5.455 0.258 -0.638
25 HB3 PHE 4 HB1 PHE 4 -4.588 0.313 -2.166
26 H CYS 5 HN CYS 5 -4.410 -3.261 -3.003
27 HA CYS 5 HA CYS 5 -2.914 -3.857 -0.547
28 HG CYS 5 HG CYS 5 -5.298 -5.142 -0.434
29 HB2 CYS 5 HB2 CYS 5 -3.268 -5.577 -3.010
30 HB3 CYS 5 HB1 CYS 5 -2.469 -6.050 -1.514
31 H CYS 6 HN CYS 6 -0.719 -3.746 -0.489
32 HA CYS 6 HA CYS 6 0.664 -2.275 -2.497
33 HB2 CYS 6 HB2 CYS 6 1.361 -2.189 -0.152
34 HB3 CYS 6 HB1 CYS 6 1.727 -3.908 -0.176
35 HA PRO 7 HA PRO 7 1.430 -5.824 -5.081
36 HB2 PRO 7 HB2 PRO 7 2.796 -4.150 -6.956
37 HB3 PRO 7 HB1 PRO 7 1.136 -4.738 -7.038
38 HG2 PRO 7 HG2 PRO 7 1.860 -2.092 -6.696
39 HG3 PRO 7 HG1 PRO 7 0.285 -2.776 -6.263
40 HD2 PRO 7 HD2 PRO 7 2.634 -2.164 -4.523
41 HD3 PRO 7 HD1 PRO 7 0.900 -1.978 -4.186
42 H LYS 8 HN LYS 8 3.540 -4.546 -3.102
43 HA LYS 8 HA LYS 8 5.892 -5.779 -4.373
44 HB2 LYS 8 HB2 LYS 8 6.026 -3.401 -2.518
45 HB3 LYS 8 HB1 LYS 8 7.298 -4.046 -3.550
46 HG2 LYS 8 HG2 LYS 8 5.891 -3.423 -5.527
47 HG3 LYS 8 HG1 LYS 8 4.804 -2.600 -4.410
48 HD2 LYS 8 HD2 LYS 8 6.723 -1.200 -3.671
49 HD3 LYS 8 HD1 LYS 8 7.705 -1.966 -4.925
50 HE2 LYS 8 HE2 LYS 8 5.863 -1.227 -6.544
51 HE3 LYS 8 HE1 LYS 8 5.322 -0.169 -5.243
52 HZ1 LYS 8 HZ1 LYS 8 7.936 -0.140 -6.637
53 HZ2 LYS 8 HZ2 LYS 8 7.642 0.736 -5.215
54 HZ3 LYS 8 HZ3 LYS 8 6.758 1.081 -6.619
55 H CYS 9 HN CYS 9 3.896 -5.437 -1.620
56 HA CYS 9 HA CYS 9 5.062 -7.737 -0.391
57 HB2 CYS 9 HB2 CYS 9 5.659 -6.782 1.731
58 HB3 CYS 9 HB1 CYS 9 6.501 -5.851 0.500
59 H GLN 10 HN GLN 10 3.696 -8.407 1.508
60 HA GLN 10 HA GLN 10 0.955 -7.917 0.783
61 HB2 GLN 10 HB2 GLN 10 2.083 -9.590 3.033
62 HB3 GLN 10 HB1 GLN 10 0.405 -9.584 2.499
63 HG2 GLN 10 HG2 GLN 10 2.798 -10.476 0.908
64 HG3 GLN 10 HG1 GLN 10 1.552 -11.505 1.611
65 HE21 GLN 10 HE21 GLN 10 -0.635 -9.717 0.893
66 HE22 GLN 10 HE22 GLN 10 -0.841 -9.877 -0.815
67 H TYR 11 HN TYR 11 0.415 -5.906 1.250
68 HA TYR 11 HA TYR 11 0.046 -5.261 4.073
69 HD1 TYR 11 HD1 TYR 11 1.483 -3.174 5.692
70 HD2 TYR 11 HD2 TYR 11 -0.262 -1.557 2.161
71 HE1 TYR 11 HE1 TYR 11 0.740 -1.210 6.967
72 HE2 TYR 11 HE2 TYR 11 -1.008 0.411 3.428
73 HH TYR 11 HH TYR 11 0.182 1.259 6.365
74 HB2 TYR 11 HB2 TYR 11 2.067 -4.041 3.469
75 HB3 TYR 11 HB1 TYR 11 1.289 -3.401 2.026
76 H GLN 12 HN GLN 12 -1.919 -4.438 4.461
77 HA GLN 12 HA GLN 12 -3.657 -4.056 2.124
78 HB2 GLN 12 HB2 GLN 12 -4.228 -5.774 3.893
79 HB3 GLN 12 HB1 GLN 12 -4.484 -4.435 5.005
80 HG2 GLN 12 HG2 GLN 12 -6.586 -5.175 4.099
81 HG3 GLN 12 HG1 GLN 12 -6.219 -3.550 3.513
82 HE21 GLN 12 HE21 GLN 12 -6.507 -6.902 2.693
83 HE22 GLN 12 HE22 GLN 12 -6.492 -6.690 0.973
84 H ALA 13 HN ALA 13 -4.394 -2.086 1.638
85 HA ALA 13 HA ALA 13 -4.391 -0.040 3.763
86 HB1 ALA 13 HB1 ALA 13 -2.608 0.404 2.143
87 HB2 ALA 13 HB2 ALA 13 -3.857 1.649 2.088
88 HB3 ALA 13 HB3 ALA 13 -3.794 0.407 0.838
89 HA PRO 14 HA PRO 14 -8.723 -0.180 2.665
90 HB2 PRO 14 HB2 PRO 14 -9.582 1.514 4.604
91 HB3 PRO 14 HB1 PRO 14 -9.172 -0.176 4.913
92 HG2 PRO 14 HG2 PRO 14 -7.572 2.289 5.435
93 HG3 PRO 14 HG1 PRO 14 -7.729 0.823 6.419
94 HD2 PRO 14 HD2 PRO 14 -5.586 1.354 4.800
95 HD3 PRO 14 HD1 PRO 14 -6.106 -0.284 5.241
96 H ASP 15 HN ASP 15 -6.817 2.743 3.088
97 HA ASP 15 HA ASP 15 -8.698 4.205 1.373
98 HB2 ASP 15 HB2 ASP 15 -6.600 5.165 3.310
99 HB3 ASP 15 HB1 ASP 15 -7.352 6.233 2.129
100 H MET 16 HN MET 16 -7.984 5.325 -0.429
101 HA MET 16 HA MET 16 -5.857 4.148 -1.887
102 HB2 MET 16 HB2 MET 16 -7.840 5.220 -2.938
103 HB3 MET 16 HB1 MET 16 -7.255 6.785 -2.387
104 HG2 MET 16 HG2 MET 16 -5.227 6.474 -3.742
105 HG3 MET 16 HG1 MET 16 -5.878 4.948 -4.332
106 HE1 MET 16 HE1 MET 16 -8.031 4.746 -5.871
107 HE2 MET 16 HE2 MET 16 -9.010 6.122 -6.374
108 HE3 MET 16 HE3 MET 16 -8.986 5.629 -4.681
109 H ASP 17 HN ASP 17 -6.212 7.081 -0.004
110 HA ASP 17 HA ASP 17 -3.767 8.321 -0.486
111 HB2 ASP 17 HB2 ASP 17 -5.323 8.200 2.113
112 HB3 ASP 17 HB1 ASP 17 -4.053 9.359 1.740
113 H THR 18 HN THR 18 -4.644 6.030 2.062
114 HA THR 18 HA THR 18 -2.223 5.787 3.359
115 HB THR 18 HB THR 18 -4.198 3.549 2.905
116 HG1 THR 18 HG1 THR 18 -4.323 5.267 5.128
117 HG21 THR 18 HG21 THR 18 -3.480 2.820 5.130
118 HG22 THR 18 HG22 THR 18 -2.336 4.161 5.203
119 HG23 THR 18 HG23 THR 18 -2.117 2.880 4.010
120 H LEU 19 HN LEU 19 -3.437 3.953 0.560
121 HA LEU 19 HA LEU 19 -1.357 2.097 0.381
122 HG LEU 19 HG LEU 19 -0.925 1.947 -2.560
123 HB2 LEU 19 HB2 LEU 19 -3.443 1.911 -0.906
124 HB3 LEU 19 HB1 LEU 19 -2.966 3.293 -1.877
125 HD11 LEU 19 HD11 LEU 19 -1.035 0.292 -0.762
126 HD12 LEU 19 HD12 LEU 19 -1.076 -0.471 -2.353
127 HD13 LEU 19 HD13 LEU 19 -2.559 -0.312 -1.415
128 HD21 LEU 19 HD21 LEU 19 -2.778 2.331 -4.069
129 HD22 LEU 19 HD22 LEU 19 -3.663 0.981 -3.364
130 HD23 LEU 19 HD23 LEU 19 -2.175 0.684 -4.260
131 H GLN 20 HN GLN 20 -1.728 5.224 -1.275
132 HA GLN 20 HA GLN 20 0.693 5.050 -2.699
133 HB2 GLN 20 HB2 GLN 20 -0.983 7.442 -1.937
134 HB3 GLN 20 HB1 GLN 20 0.394 7.517 -3.031
135 HG2 GLN 20 HG2 GLN 20 -0.713 5.949 -4.538
136 HG3 GLN 20 HG1 GLN 20 -2.095 5.873 -3.447
137 HE21 GLN 20 HE21 GLN 20 -3.477 6.624 -5.047
138 HE22 GLN 20 HE22 GLN 20 -3.489 8.275 -5.552
139 H ILE 21 HN ILE 21 -0.099 6.492 0.443
140 HA ILE 21 HA ILE 21 2.396 7.640 1.004
141 HB ILE 21 HB ILE 21 0.496 6.306 2.953
142 HG12 ILE 21 HG12 ILE 21 0.770 9.219 2.169
143 HG13 ILE 21 HG11 ILE 21 -0.535 8.145 1.670
144 HG21 ILE 21 HG21 ILE 21 1.595 7.691 4.665
145 HG22 ILE 21 HG22 ILE 21 2.749 8.252 3.455
146 HG23 ILE 21 HG23 ILE 21 2.715 6.550 3.916
147 HD11 ILE 21 HD11 ILE 21 -1.226 7.907 3.997
148 HD12 ILE 21 HD12 ILE 21 -1.226 9.596 3.488
149 HD13 ILE 21 HD13 ILE 21 0.084 8.978 4.496
150 H HIS 22 HN HIS 22 1.151 4.391 1.681
151 HA HIS 22 HA HIS 22 3.514 3.394 2.834
152 HD1 HIS 22 HD1 HIS 22 3.291 0.688 4.374
153 HD2 HIS 22 HD2 HIS 22 2.584 -0.120 0.352
154 HE1 HIS 22 HE1 HIS 22 4.393 -1.542 3.883
155 HB2 HIS 22 HB2 HIS 22 1.469 2.215 3.236
156 HB3 HIS 22 HB1 HIS 22 1.196 1.974 1.510
157 H VAL 23 HN VAL 23 2.332 3.290 -0.539
158 HA VAL 23 HA VAL 23 4.301 1.505 -1.453
159 HB VAL 23 HB VAL 23 2.761 3.600 -2.993
160 HG11 VAL 23 HG11 VAL 23 4.478 1.341 -4.018
161 HG12 VAL 23 HG12 VAL 23 4.800 3.067 -4.196
162 HG13 VAL 23 HG13 VAL 23 3.410 2.340 -5.005
163 HG21 VAL 23 HG21 VAL 23 1.433 1.674 -3.750
164 HG22 VAL 23 HG22 VAL 23 1.369 1.861 -1.999
165 HG23 VAL 23 HG23 VAL 23 2.388 0.612 -2.715
166 H MET 24 HN MET 24 4.320 5.036 -1.228
167 HA MET 24 HA MET 24 6.850 5.315 -2.518
168 HB2 MET 24 HB2 MET 24 5.315 7.210 -0.735
169 HB3 MET 24 HB1 MET 24 6.802 7.632 -1.578
170 HG2 MET 24 HG2 MET 24 5.711 7.168 -3.723
171 HG3 MET 24 HG1 MET 24 4.218 6.779 -2.871
172 HE1 MET 24 HE1 MET 24 3.263 10.242 -1.307
173 HE2 MET 24 HE2 MET 24 4.179 8.931 -0.565
174 HE3 MET 24 HE3 MET 24 2.760 8.570 -1.545
175 H GLU 25 HN GLU 25 5.813 4.872 0.792
176 HA GLU 25 HA GLU 25 8.384 5.265 1.988
177 HB2 GLU 25 HB2 GLU 25 6.241 5.466 3.223
178 HB3 GLU 25 HB1 GLU 25 5.969 3.746 2.995
179 HG2 GLU 25 HG2 GLU 25 7.973 3.262 4.312
180 HG3 GLU 25 HG1 GLU 25 8.211 4.993 4.566
181 H CYS 26 HN CYS 26 6.547 2.567 0.775
182 HA CYS 26 HA CYS 26 8.280 0.461 1.551
183 HB2 CYS 26 HB2 CYS 26 5.831 0.333 0.878
184 HB3 CYS 26 HB1 CYS 26 6.354 0.524 -0.786
185 H ILE 27 HN ILE 27 8.183 2.707 -1.052
186 HA ILE 27 HA ILE 27 9.633 3.294 -2.659
187 HB ILE 27 HB ILE 27 11.536 1.334 -1.367
188 HG12 ILE 27 HG12 ILE 27 11.244 4.336 -1.100
189 HG13 ILE 27 HG11 ILE 27 10.806 3.149 0.124
190 HG21 ILE 27 HG21 ILE 27 12.067 3.548 -3.349
191 HG22 ILE 27 HG22 ILE 27 12.148 1.819 -3.689
192 HG23 ILE 27 HG23 ILE 27 13.289 2.550 -2.560
193 HD11 ILE 27 HD11 ILE 27 12.925 4.219 0.630
194 HD12 ILE 27 HD12 ILE 27 13.582 3.673 -0.914
195 HD13 ILE 27 HD13 ILE 27 13.144 2.496 0.325
196 H GLU 28 HN GLU 28 10.821 -0.065 -2.556
197 HA GLU 28 HA GLU 28 9.297 -0.741 -4.918
198 HB2 GLU 28 HB2 GLU 28 11.326 0.647 -5.658
199 HB3 GLU 28 HB1 GLU 28 12.304 -0.721 -5.151
200 HG2 GLU 28 HG2 GLU 28 11.984 -0.895 -7.494
201 HG3 GLU 28 HG1 GLU 28 10.998 -2.144 -6.733
Start of MODEL 7
1 HA SER 1 HA SER 1 -15.425 -0.610 -2.047
2 HG SER 1 HG SER 1 -17.216 -2.650 -0.308
3 H1 SER 1 HT1 SER 1 -15.656 -1.165 -4.382
4 H2 SER 1 HT2 SER 1 -16.953 -1.765 -3.468
5 H3 SER 1 HT3 SER 1 -15.728 -2.812 -3.995
6 HB2 SER 1 HB2 SER 1 -15.155 -3.599 -1.640
7 HB3 SER 1 HB1 SER 1 -15.140 -2.347 -0.396
8 H SER 2 HN SER 2 -13.837 -3.536 -3.331
9 HA SER 2 HA SER 2 -11.774 -3.918 -4.165
10 HG SER 2 HG SER 2 -12.015 -2.600 -6.389
11 HB2 SER 2 HB2 SER 2 -11.510 -0.905 -4.183
12 HB3 SER 2 HB1 SER 2 -10.420 -2.032 -4.992
13 H ASP 3 HN ASP 3 -9.483 -3.855 -3.662
14 HA ASP 3 HA ASP 3 -8.938 -3.075 -0.869
15 HB2 ASP 3 HB2 ASP 3 -7.439 -4.968 -0.679
16 HB3 ASP 3 HB1 ASP 3 -8.994 -5.561 -1.251
17 H PHE 4 HN PHE 4 -7.087 -1.880 -0.511
18 HA PHE 4 HA PHE 4 -5.573 -1.195 -2.928
19 HD1 PHE 4 HD2 PHE 4 -5.938 1.314 -3.843
20 HD2 PHE 4 HD1 PHE 4 -8.060 0.824 -0.188
21 HE1 PHE 4 HE2 PHE 4 -7.868 2.498 -4.806
22 HE2 PHE 4 HE1 PHE 4 -9.993 2.000 -1.150
23 HZ PHE 4 HZ PHE 4 -9.898 2.842 -3.458
24 HB2 PHE 4 HB2 PHE 4 -5.800 0.264 -0.287
25 HB3 PHE 4 HB1 PHE 4 -4.797 0.788 -1.636
26 H CYS 5 HN CYS 5 -4.228 -2.942 -3.014
27 HA CYS 5 HA CYS 5 -2.742 -3.634 -0.590
28 HG CYS 5 HG CYS 5 -2.819 -7.396 -0.934
29 HB2 CYS 5 HB2 CYS 5 -4.092 -5.368 -1.872
30 HB3 CYS 5 HB1 CYS 5 -2.880 -5.237 -3.139
31 H CYS 6 HN CYS 6 -0.561 -3.705 -0.519
32 HA CYS 6 HA CYS 6 0.866 -1.935 -2.240
33 HB2 CYS 6 HB2 CYS 6 1.365 -2.064 0.133
34 HB3 CYS 6 HB1 CYS 6 1.781 -3.766 -0.013
35 HA PRO 7 HA PRO 7 2.203 -5.119 -5.133
36 HB2 PRO 7 HB2 PRO 7 3.525 -3.493 -6.817
37 HB3 PRO 7 HB1 PRO 7 1.759 -3.515 -6.744
38 HG2 PRO 7 HG2 PRO 7 3.681 -1.575 -5.523
39 HG3 PRO 7 HG1 PRO 7 2.145 -1.260 -6.352
40 HD2 PRO 7 HD2 PRO 7 2.432 -1.313 -3.625
41 HD3 PRO 7 HD1 PRO 7 0.912 -1.670 -4.466
42 H LYS 8 HN LYS 8 3.627 -4.904 -2.711
43 HA LYS 8 HA LYS 8 6.356 -5.455 -3.573
44 HB2 LYS 8 HB2 LYS 8 5.592 -3.251 -1.675
45 HB3 LYS 8 HB1 LYS 8 7.149 -4.053 -1.540
46 HG2 LYS 8 HG2 LYS 8 6.214 -2.775 -4.088
47 HG3 LYS 8 HG1 LYS 8 7.079 -1.883 -2.832
48 HD2 LYS 8 HD2 LYS 8 8.921 -3.531 -2.992
49 HD3 LYS 8 HD1 LYS 8 8.065 -4.316 -4.324
50 HE2 LYS 8 HE2 LYS 8 8.260 -2.350 -5.682
51 HE3 LYS 8 HE1 LYS 8 8.910 -1.419 -4.330
52 HZ1 LYS 8 HZ1 LYS 8 10.864 -2.847 -4.333
53 HZ2 LYS 8 HZ2 LYS 8 10.650 -2.116 -5.850
54 HZ3 LYS 8 HZ3 LYS 8 10.230 -3.746 -5.630
55 H CYS 9 HN CYS 9 3.964 -5.293 -1.038
56 HA CYS 9 HA CYS 9 4.867 -7.808 0.091
57 HB2 CYS 9 HB2 CYS 9 4.910 -6.882 2.389
58 HB3 CYS 9 HB1 CYS 9 6.138 -6.128 1.379
59 H GLN 10 HN GLN 10 3.192 -8.531 1.784
60 HA GLN 10 HA GLN 10 0.582 -7.932 0.735
61 HB2 GLN 10 HB2 GLN 10 1.491 -9.769 2.945
62 HB3 GLN 10 HB1 GLN 10 -0.203 -9.539 2.527
63 HG2 GLN 10 HG2 GLN 10 1.974 -10.693 0.806
64 HG3 GLN 10 HG1 GLN 10 0.548 -11.513 1.442
65 HE21 GLN 10 HE21 GLN 10 1.806 -9.430 -1.003
66 HE22 GLN 10 HE22 GLN 10 0.374 -9.346 -1.977
67 H TYR 11 HN TYR 11 0.263 -5.823 1.172
68 HA TYR 11 HA TYR 11 -0.489 -5.220 3.941
69 HD1 TYR 11 HD1 TYR 11 0.890 -3.436 5.763
70 HD2 TYR 11 HD2 TYR 11 -0.296 -1.380 2.233
71 HE1 TYR 11 HE1 TYR 11 0.175 -1.523 7.126
72 HE2 TYR 11 HE2 TYR 11 -1.018 0.540 3.590
73 HH TYR 11 HH TYR 11 -0.137 0.961 6.785
74 HB2 TYR 11 HB2 TYR 11 1.686 -4.133 3.529
75 HB3 TYR 11 HB1 TYR 11 1.037 -3.367 2.084
76 H GLN 12 HN GLN 12 -2.604 -5.027 3.820
77 HA GLN 12 HA GLN 12 -3.817 -4.009 1.353
78 HB2 GLN 12 HB2 GLN 12 -5.026 -5.511 3.683
79 HB3 GLN 12 HB1 GLN 12 -5.884 -5.037 2.220
80 HG2 GLN 12 HG2 GLN 12 -4.693 -6.532 0.889
81 HG3 GLN 12 HG1 GLN 12 -3.421 -6.730 2.091
82 HE21 GLN 12 HE21 GLN 12 -3.766 -8.062 3.848
83 HE22 GLN 12 HE22 GLN 12 -5.027 -9.250 3.867
84 H ALA 13 HN ALA 13 -3.807 -1.851 1.494
85 HA ALA 13 HA ALA 13 -4.543 -0.475 3.925
86 HB1 ALA 13 HB1 ALA 13 -3.996 0.607 1.159
87 HB2 ALA 13 HB2 ALA 13 -2.816 0.453 2.460
88 HB3 ALA 13 HB3 ALA 13 -4.175 1.563 2.631
89 HA PRO 14 HA PRO 14 -8.869 -0.320 2.985
90 HB2 PRO 14 HB2 PRO 14 -9.042 1.981 4.777
91 HB3 PRO 14 HB1 PRO 14 -9.693 0.354 4.988
92 HG2 PRO 14 HG2 PRO 14 -7.641 1.312 6.471
93 HG3 PRO 14 HG1 PRO 14 -7.803 -0.406 6.052
94 HD2 PRO 14 HD2 PRO 14 -6.058 1.693 4.823
95 HD3 PRO 14 HD1 PRO 14 -5.684 -0.002 5.201
96 H ASP 15 HN ASP 15 -7.061 2.729 3.169
97 HA ASP 15 HA ASP 15 -8.858 3.876 1.147
98 HB2 ASP 15 HB2 ASP 15 -8.801 5.163 3.186
99 HB3 ASP 15 HB1 ASP 15 -7.041 5.213 3.154
100 H MET 16 HN MET 16 -7.954 5.126 -0.580
101 HA MET 16 HA MET 16 -5.753 3.826 -1.816
102 HB2 MET 16 HB2 MET 16 -7.660 4.751 -3.075
103 HB3 MET 16 HB1 MET 16 -7.165 6.375 -2.622
104 HG2 MET 16 HG2 MET 16 -5.020 5.995 -3.803
105 HG3 MET 16 HG1 MET 16 -5.645 4.439 -4.346
106 HE1 MET 16 HE1 MET 16 -8.726 5.153 -4.862
107 HE2 MET 16 HE2 MET 16 -7.755 4.179 -5.969
108 HE3 MET 16 HE3 MET 16 -8.683 5.545 -6.584
109 H ASP 17 HN ASP 17 -6.124 6.967 -0.238
110 HA ASP 17 HA ASP 17 -3.669 8.103 -1.047
111 HB2 ASP 17 HB2 ASP 17 -5.608 9.288 0.079
112 HB3 ASP 17 HB1 ASP 17 -5.064 8.580 1.589
113 H THR 18 HN THR 18 -4.631 6.493 1.923
114 HA THR 18 HA THR 18 -2.217 6.372 3.256
115 HB THR 18 HB THR 18 -4.205 4.103 3.240
116 HG1 THR 18 HG1 THR 18 -4.416 6.739 4.204
117 HG21 THR 18 HG21 THR 18 -2.170 3.705 4.518
118 HG22 THR 18 HG22 THR 18 -3.546 3.908 5.602
119 HG23 THR 18 HG23 THR 18 -2.395 5.225 5.380
120 H LEU 19 HN LEU 19 -3.485 4.144 0.793
121 HA LEU 19 HA LEU 19 -1.447 2.247 0.829
122 HG LEU 19 HG LEU 19 -1.054 2.099 -2.299
123 HB2 LEU 19 HB2 LEU 19 -3.437 1.838 -0.460
124 HB3 LEU 19 HB1 LEU 19 -3.132 3.238 -1.472
125 HD11 LEU 19 HD11 LEU 19 -2.219 -0.282 -0.865
126 HD12 LEU 19 HD12 LEU 19 -0.731 0.562 -0.439
127 HD13 LEU 19 HD13 LEU 19 -0.847 -0.305 -1.971
128 HD21 LEU 19 HD21 LEU 19 -3.606 0.575 -2.795
129 HD22 LEU 19 HD22 LEU 19 -2.203 0.678 -3.858
130 HD23 LEU 19 HD23 LEU 19 -3.182 2.111 -3.549
131 H GLN 20 HN GLN 20 -1.727 5.130 -1.263
132 HA GLN 20 HA GLN 20 0.694 4.728 -2.608
133 HB2 GLN 20 HB2 GLN 20 -1.128 6.260 -3.343
134 HB3 GLN 20 HB1 GLN 20 -0.650 7.380 -2.075
135 HG2 GLN 20 HG2 GLN 20 0.227 8.017 -4.268
136 HG3 GLN 20 HG1 GLN 20 1.515 7.684 -3.111
137 HE21 GLN 20 HE21 GLN 20 -0.140 6.557 -5.960
138 HE22 GLN 20 HE22 GLN 20 1.049 5.394 -6.438
139 H ILE 21 HN ILE 21 -0.017 6.515 0.365
140 HA ILE 21 HA ILE 21 2.494 7.663 0.788
141 HB ILE 21 HB ILE 21 0.596 6.568 2.875
142 HG12 ILE 21 HG12 ILE 21 0.878 9.369 1.766
143 HG13 ILE 21 HG11 ILE 21 -0.411 8.244 1.349
144 HG21 ILE 21 HG21 ILE 21 2.824 8.581 3.135
145 HG22 ILE 21 HG22 ILE 21 2.825 6.940 3.780
146 HG23 ILE 21 HG23 ILE 21 1.686 8.133 4.406
147 HD11 ILE 21 HD11 ILE 21 -1.176 9.859 2.971
148 HD12 ILE 21 HD12 ILE 21 0.125 9.406 4.072
149 HD13 ILE 21 HD13 ILE 21 -1.146 8.245 3.685
150 H HIS 22 HN HIS 22 1.244 4.505 1.813
151 HA HIS 22 HA HIS 22 3.653 3.574 2.965
152 HD1 HIS 22 HD1 HIS 22 3.263 0.873 4.796
153 HD2 HIS 22 HD2 HIS 22 2.587 -0.042 0.790
154 HE1 HIS 22 HE1 HIS 22 4.222 -1.447 4.414
155 HB2 HIS 22 HB2 HIS 22 1.592 2.486 3.568
156 HB3 HIS 22 HB1 HIS 22 1.227 2.121 1.886
157 H VAL 23 HN VAL 23 2.324 3.310 -0.324
158 HA VAL 23 HA VAL 23 4.246 1.456 -1.243
159 HB VAL 23 HB VAL 23 2.693 3.493 -2.865
160 HG11 VAL 23 HG11 VAL 23 4.616 2.648 -4.101
161 HG12 VAL 23 HG12 VAL 23 3.116 2.000 -4.765
162 HG13 VAL 23 HG13 VAL 23 4.136 0.992 -3.738
163 HG21 VAL 23 HG21 VAL 23 1.193 1.595 -3.342
164 HG22 VAL 23 HG22 VAL 23 1.225 2.012 -1.630
165 HG23 VAL 23 HG23 VAL 23 2.113 0.604 -2.211
166 H MET 24 HN MET 24 4.250 4.974 -1.045
167 HA MET 24 HA MET 24 6.624 5.359 -2.567
168 HB2 MET 24 HB2 MET 24 5.275 7.115 -0.510
169 HB3 MET 24 HB1 MET 24 6.686 7.611 -1.439
170 HG2 MET 24 HG2 MET 24 5.404 7.282 -3.512
171 HG3 MET 24 HG1 MET 24 3.989 6.864 -2.550
172 HE1 MET 24 HE1 MET 24 2.782 8.545 -0.910
173 HE2 MET 24 HE2 MET 24 3.249 10.232 -0.700
174 HE3 MET 24 HE3 MET 24 4.298 8.947 -0.104
175 H GLU 25 HN GLU 25 6.003 4.844 0.881
176 HA GLU 25 HA GLU 25 8.808 5.095 1.526
177 HB2 GLU 25 HB2 GLU 25 8.126 4.337 3.785
178 HB3 GLU 25 HB1 GLU 25 7.224 5.735 3.226
179 HG2 GLU 25 HG2 GLU 25 5.311 4.384 2.775
180 HG3 GLU 25 HG1 GLU 25 6.220 2.907 3.094
181 H CYS 26 HN CYS 26 6.854 2.710 0.218
182 HA CYS 26 HA CYS 26 8.557 0.519 1.180
183 HB2 CYS 26 HB2 CYS 26 6.021 0.405 1.402
184 HB3 CYS 26 HB1 CYS 26 5.966 0.281 -0.350
185 H ILE 27 HN ILE 27 9.339 2.461 -0.883
186 HA ILE 27 HA ILE 27 9.271 1.243 -3.421
187 HB ILE 27 HB ILE 27 11.438 2.600 -3.790
188 HG12 ILE 27 HG12 ILE 27 10.549 3.754 -1.135
189 HG13 ILE 27 HG11 ILE 27 12.026 2.835 -1.406
190 HG21 ILE 27 HG21 ILE 27 8.851 3.954 -3.049
191 HG22 ILE 27 HG22 ILE 27 9.279 3.291 -4.625
192 HG23 ILE 27 HG23 ILE 27 10.150 4.687 -3.991
193 HD11 ILE 27 HD11 ILE 27 12.837 4.584 -2.895
194 HD12 ILE 27 HD12 ILE 27 12.470 5.215 -1.290
195 HD13 ILE 27 HD13 ILE 27 11.357 5.502 -2.627
196 H GLU 28 HN GLU 28 12.205 1.518 -1.435
197 HA GLU 28 HA GLU 28 12.565 -1.331 -1.297
198 HB2 GLU 28 HB2 GLU 28 14.374 0.391 -2.986
199 HB3 GLU 28 HB1 GLU 28 14.979 -1.062 -2.209
200 HG2 GLU 28 HG2 GLU 28 12.682 -0.976 -4.150
201 HG3 GLU 28 HG1 GLU 28 14.344 -1.383 -4.569
Start of MODEL 8
1 HA SER 1 HA SER 1 -8.232 -8.060 -0.624
2 HG SER 1 HG SER 1 -11.185 -9.365 1.351
3 H1 SER 1 HT1 SER 1 -8.464 -6.517 1.241
4 H2 SER 1 HT2 SER 1 -7.956 -8.055 1.714
5 H3 SER 1 HT3 SER 1 -9.561 -7.582 1.967
6 HB2 SER 1 HB2 SER 1 -10.342 -9.698 -0.629
7 HB3 SER 1 HB1 SER 1 -8.796 -10.166 0.081
8 H SER 2 HN SER 2 -10.729 -6.397 1.066
9 HA SER 2 HA SER 2 -11.905 -5.524 -1.488
10 HG SER 2 HG SER 2 -14.082 -4.695 -1.220
11 HB2 SER 2 HB2 SER 2 -13.424 -6.318 0.369
12 HB3 SER 2 HB1 SER 2 -12.863 -4.956 1.337
13 H ASP 3 HN ASP 3 -9.264 -4.887 -0.305
14 HA ASP 3 HA ASP 3 -9.537 -1.991 0.160
15 HB2 ASP 3 HB2 ASP 3 -7.156 -3.594 1.051
16 HB3 ASP 3 HB1 ASP 3 -7.758 -2.067 1.679
17 H PHE 4 HN PHE 4 -7.004 -1.176 -0.113
18 HA PHE 4 HA PHE 4 -6.269 -1.900 -2.866
19 HD1 PHE 4 HD2 PHE 4 -6.746 0.501 -4.622
20 HD2 PHE 4 HD1 PHE 4 -7.636 1.212 -0.523
21 HE1 PHE 4 HE2 PHE 4 -8.806 1.675 -5.278
22 HE2 PHE 4 HE1 PHE 4 -9.699 2.385 -1.169
23 HZ PHE 4 HZ PHE 4 -10.286 2.618 -3.550
24 HB2 PHE 4 HB2 PHE 4 -5.436 0.502 -1.207
25 HB3 PHE 4 HB1 PHE 4 -5.055 0.230 -2.904
26 H CYS 5 HN CYS 5 -4.538 -3.209 -3.099
27 HA CYS 5 HA CYS 5 -2.969 -3.744 -0.680
28 HG CYS 5 HG CYS 5 -5.733 -5.754 -1.913
29 HB2 CYS 5 HB2 CYS 5 -3.404 -5.376 -3.181
30 HB3 CYS 5 HB1 CYS 5 -2.333 -5.852 -1.869
31 H CYS 6 HN CYS 6 -0.800 -3.710 -0.604
32 HA CYS 6 HA CYS 6 0.658 -2.242 -2.606
33 HB2 CYS 6 HB2 CYS 6 1.200 -1.994 -0.224
34 HB3 CYS 6 HB1 CYS 6 1.579 -3.707 -0.116
35 HA PRO 7 HA PRO 7 1.350 -5.979 -4.930
36 HB2 PRO 7 HB2 PRO 7 2.736 -4.901 -6.973
37 HB3 PRO 7 HB1 PRO 7 1.000 -4.634 -6.766
38 HG2 PRO 7 HG2 PRO 7 3.290 -2.848 -6.034
39 HG3 PRO 7 HG1 PRO 7 1.757 -2.434 -6.824
40 HD2 PRO 7 HD2 PRO 7 2.201 -2.043 -4.168
41 HD3 PRO 7 HD1 PRO 7 0.598 -2.390 -4.843
42 H LYS 8 HN LYS 8 3.322 -5.111 -2.754
43 HA LYS 8 HA LYS 8 5.614 -6.593 -3.824
44 HB2 LYS 8 HB2 LYS 8 5.736 -3.952 -2.363
45 HB3 LYS 8 HB1 LYS 8 7.120 -5.026 -2.517
46 HG2 LYS 8 HG2 LYS 8 5.596 -3.904 -4.861
47 HG3 LYS 8 HG1 LYS 8 7.059 -3.182 -4.188
48 HD2 LYS 8 HD2 LYS 8 6.971 -6.045 -5.103
49 HD3 LYS 8 HD1 LYS 8 7.322 -4.722 -6.217
50 HE2 LYS 8 HE2 LYS 8 8.858 -5.231 -3.671
51 HE3 LYS 8 HE1 LYS 8 9.337 -5.858 -5.249
52 HZ1 LYS 8 HZ1 LYS 8 9.030 -2.984 -4.548
53 HZ2 LYS 8 HZ2 LYS 8 9.471 -3.583 -6.068
54 HZ3 LYS 8 HZ3 LYS 8 10.503 -3.804 -4.739
55 H CYS 9 HN CYS 9 3.492 -5.859 -1.221
56 HA CYS 9 HA CYS 9 4.543 -8.054 0.329
57 HB2 CYS 9 HB2 CYS 9 4.857 -6.746 2.383
58 HB3 CYS 9 HB1 CYS 9 5.946 -6.189 1.116
59 H GLN 10 HN GLN 10 3.162 -8.284 2.389
60 HA GLN 10 HA GLN 10 0.426 -8.179 1.526
61 HB2 GLN 10 HB2 GLN 10 -0.053 -9.350 3.676
62 HB3 GLN 10 HB1 GLN 10 1.127 -10.169 2.663
63 HG2 GLN 10 HG2 GLN 10 2.798 -9.893 4.148
64 HG3 GLN 10 HG1 GLN 10 2.220 -8.311 4.671
65 HE21 GLN 10 HE21 GLN 10 2.466 -8.801 6.837
66 HE22 GLN 10 HE22 GLN 10 1.392 -9.885 7.669
67 H TYR 11 HN TYR 11 0.561 -5.756 1.455
68 HA TYR 11 HA TYR 11 -0.399 -4.724 4.042
69 HD1 TYR 11 HD1 TYR 11 1.191 -2.722 5.527
70 HD2 TYR 11 HD2 TYR 11 -0.589 -1.248 1.957
71 HE1 TYR 11 HE1 TYR 11 0.468 -0.701 6.726
72 HE2 TYR 11 HE2 TYR 11 -1.316 0.777 3.147
73 HH TYR 11 HH TYR 11 -0.107 1.678 6.137
74 HB2 TYR 11 HB2 TYR 11 1.757 -3.672 3.326
75 HB3 TYR 11 HB1 TYR 11 0.947 -3.094 1.872
76 H GLN 12 HN GLN 12 -2.516 -4.665 3.921
77 HA GLN 12 HA GLN 12 -3.772 -3.902 1.369
78 HB2 GLN 12 HB2 GLN 12 -5.068 -5.324 3.704
79 HB3 GLN 12 HB1 GLN 12 -5.723 -5.121 2.084
80 HG2 GLN 12 HG2 GLN 12 -3.949 -6.547 1.190
81 HG3 GLN 12 HG1 GLN 12 -3.299 -6.753 2.815
82 HE21 GLN 12 HE21 GLN 12 -3.580 -8.965 2.818
83 HE22 GLN 12 HE22 GLN 12 -5.140 -9.709 2.893
84 H ALA 13 HN ALA 13 -3.906 -1.728 1.490
85 HA ALA 13 HA ALA 13 -4.748 -0.427 3.962
86 HB1 ALA 13 HB1 ALA 13 -2.862 0.496 2.681
87 HB2 ALA 13 HB2 ALA 13 -4.187 1.647 2.847
88 HB3 ALA 13 HB3 ALA 13 -3.947 0.791 1.322
89 HA PRO 14 HA PRO 14 -8.959 -0.325 2.477
90 HB2 PRO 14 HB2 PRO 14 -9.470 1.522 4.691
91 HB3 PRO 14 HB1 PRO 14 -10.078 -0.118 4.446
92 HG2 PRO 14 HG2 PRO 14 -8.289 0.463 6.377
93 HG3 PRO 14 HG1 PRO 14 -8.281 -1.090 5.517
94 HD2 PRO 14 HD2 PRO 14 -6.563 1.332 5.068
95 HD3 PRO 14 HD1 PRO 14 -6.084 -0.379 5.134
96 H ASP 15 HN ASP 15 -7.017 2.453 3.232
97 HA ASP 15 HA ASP 15 -8.694 4.172 1.534
98 HB2 ASP 15 HB2 ASP 15 -8.365 5.116 3.718
99 HB3 ASP 15 HB1 ASP 15 -6.635 4.815 3.646
100 H MET 16 HN MET 16 -7.892 4.982 -0.353
101 HA MET 16 HA MET 16 -5.722 3.578 -1.510
102 HB2 MET 16 HB2 MET 16 -7.656 4.346 -2.819
103 HB3 MET 16 HB1 MET 16 -7.160 6.014 -2.565
104 HG2 MET 16 HG2 MET 16 -5.104 5.613 -3.791
105 HG3 MET 16 HG1 MET 16 -5.546 3.921 -4.006
106 HE1 MET 16 HE1 MET 16 -7.856 7.440 -5.892
107 HE2 MET 16 HE2 MET 16 -6.418 7.638 -4.891
108 HE3 MET 16 HE3 MET 16 -7.919 7.052 -4.174
109 H ASP 17 HN ASP 17 -6.041 6.931 -0.367
110 HA ASP 17 HA ASP 17 -3.513 7.834 -1.201
111 HB2 ASP 17 HB2 ASP 17 -5.213 8.663 1.157
112 HB3 ASP 17 HB1 ASP 17 -3.698 9.458 0.748
113 H THR 18 HN THR 18 -4.561 6.322 1.804
114 HA THR 18 HA THR 18 -2.192 6.265 3.224
115 HB THR 18 HB THR 18 -4.331 4.131 3.097
116 HG1 THR 18 HG1 THR 18 -5.143 6.193 3.661
117 HG21 THR 18 HG21 THR 18 -2.346 4.714 5.297
118 HG22 THR 18 HG22 THR 18 -2.263 3.341 4.191
119 HG23 THR 18 HG23 THR 18 -3.609 3.482 5.324
120 H LEU 19 HN LEU 19 -3.346 3.968 0.753
121 HA LEU 19 HA LEU 19 -1.144 2.218 0.880
122 HG LEU 19 HG LEU 19 -0.799 1.679 -2.103
123 HB2 LEU 19 HB2 LEU 19 -3.206 1.607 -0.280
124 HB3 LEU 19 HB1 LEU 19 -2.928 2.868 -1.471
125 HD11 LEU 19 HD11 LEU 19 -1.968 -0.513 -0.399
126 HD12 LEU 19 HD12 LEU 19 -0.488 0.390 -0.074
127 HD13 LEU 19 HD13 LEU 19 -0.582 -0.670 -1.479
128 HD21 LEU 19 HD21 LEU 19 -1.922 -0.009 -3.454
129 HD22 LEU 19 HD22 LEU 19 -2.827 1.504 -3.442
130 HD23 LEU 19 HD23 LEU 19 -3.370 0.145 -2.459
131 H GLN 20 HN GLN 20 -1.781 5.013 -1.232
132 HA GLN 20 HA GLN 20 0.555 4.830 -2.753
133 HB2 GLN 20 HB2 GLN 20 -1.168 7.206 -2.068
134 HB3 GLN 20 HB1 GLN 20 0.160 7.277 -3.220
135 HG2 GLN 20 HG2 GLN 20 -0.934 5.528 -4.555
136 HG3 GLN 20 HG1 GLN 20 -2.283 5.534 -3.419
137 HE21 GLN 20 HE21 GLN 20 -0.625 7.322 -5.911
138 HE22 GLN 20 HE22 GLN 20 -1.903 8.445 -6.233
139 H ILE 21 HN ILE 21 -0.063 6.547 0.285
140 HA ILE 21 HA ILE 21 2.481 7.713 0.578
141 HB ILE 21 HB ILE 21 0.650 6.694 2.766
142 HG12 ILE 21 HG12 ILE 21 0.894 9.463 1.563
143 HG13 ILE 21 HG11 ILE 21 -0.417 8.331 1.243
144 HG21 ILE 21 HG21 ILE 21 2.935 7.075 3.554
145 HG22 ILE 21 HG22 ILE 21 1.824 8.272 4.218
146 HG23 ILE 21 HG23 ILE 21 2.896 8.708 2.890
147 HD11 ILE 21 HD11 ILE 21 -1.080 10.015 2.853
148 HD12 ILE 21 HD12 ILE 21 0.252 9.549 3.911
149 HD13 ILE 21 HD13 ILE 21 -1.061 8.414 3.593
150 H HIS 22 HN HIS 22 1.198 4.623 1.782
151 HA HIS 22 HA HIS 22 3.507 3.625 2.953
152 HD1 HIS 22 HD1 HIS 22 3.287 0.910 4.491
153 HD2 HIS 22 HD2 HIS 22 2.496 0.040 0.496
154 HE1 HIS 22 HE1 HIS 22 4.246 -1.395 4.054
155 HB2 HIS 22 HB2 HIS 22 1.455 2.460 3.324
156 HB3 HIS 22 HB1 HIS 22 1.207 2.209 1.600
157 H VAL 23 HN VAL 23 2.420 3.331 -0.425
158 HA VAL 23 HA VAL 23 4.463 1.588 -1.254
159 HB VAL 23 HB VAL 23 2.929 3.612 -2.906
160 HG11 VAL 23 HG11 VAL 23 3.564 2.250 -4.839
161 HG12 VAL 23 HG12 VAL 23 4.563 1.239 -3.794
162 HG13 VAL 23 HG13 VAL 23 4.978 2.937 -4.036
163 HG21 VAL 23 HG21 VAL 23 1.540 1.702 -3.545
164 HG22 VAL 23 HG22 VAL 23 1.491 1.964 -1.802
165 HG23 VAL 23 HG23 VAL 23 2.469 0.657 -2.471
166 H MET 24 HN MET 24 4.353 5.114 -1.023
167 HA MET 24 HA MET 24 6.810 5.598 -2.358
168 HB2 MET 24 HB2 MET 24 5.304 7.230 -0.316
169 HB3 MET 24 HB1 MET 24 6.760 7.792 -1.125
170 HG2 MET 24 HG2 MET 24 5.616 7.552 -3.292
171 HG3 MET 24 HG1 MET 24 4.151 7.070 -2.435
172 HE1 MET 24 HE1 MET 24 6.756 9.848 -1.297
173 HE2 MET 24 HE2 MET 24 6.085 11.254 -2.125
174 HE3 MET 24 HE3 MET 24 6.749 9.912 -3.059
175 H GLU 25 HN GLU 25 5.996 4.733 0.939
176 HA GLU 25 HA GLU 25 8.700 5.037 1.914
177 HB2 GLU 25 HB2 GLU 25 6.461 3.394 3.114
178 HB3 GLU 25 HB1 GLU 25 7.891 4.000 3.935
179 HG2 GLU 25 HG2 GLU 25 7.094 6.269 3.721
180 HG3 GLU 25 HG1 GLU 25 5.693 5.717 2.803
181 H CYS 26 HN CYS 26 6.790 2.649 0.351
182 HA CYS 26 HA CYS 26 8.542 0.443 1.129
183 HB2 CYS 26 HB2 CYS 26 6.031 0.323 1.375
184 HB3 CYS 26 HB1 CYS 26 5.926 0.350 -0.379
185 H ILE 27 HN ILE 27 9.295 2.503 -0.910
186 HA ILE 27 HA ILE 27 9.278 1.067 -3.412
187 HB ILE 27 HB ILE 27 10.925 3.484 -2.633
188 HG12 ILE 27 HG12 ILE 27 8.316 3.304 -4.161
189 HG13 ILE 27 HG11 ILE 27 8.500 3.912 -2.521
190 HG21 ILE 27 HG21 ILE 27 10.321 2.300 -5.341
191 HG22 ILE 27 HG22 ILE 27 11.872 2.246 -4.501
192 HG23 ILE 27 HG23 ILE 27 11.215 3.791 -5.042
193 HD11 ILE 27 HD11 ILE 27 9.703 5.137 -4.994
194 HD12 ILE 27 HD12 ILE 27 9.882 5.740 -3.347
195 HD13 ILE 27 HD13 ILE 27 8.294 5.729 -4.113
196 H GLU 28 HN GLU 28 10.283 -0.866 -3.155
197 HA GLU 28 HA GLU 28 13.109 -0.790 -2.346
198 HB2 GLU 28 HB2 GLU 28 11.686 -2.002 -0.717
199 HB3 GLU 28 HB1 GLU 28 11.154 -3.076 -2.002
200 HG2 GLU 28 HG2 GLU 28 12.826 -4.193 -0.721
201 HG3 GLU 28 HG1 GLU 28 13.499 -3.804 -2.302
Start of MODEL 9
1 HA SER 1 HA SER 1 -13.778 -5.320 3.507
2 HG SER 1 HG SER 1 -15.859 -7.529 1.783
3 H1 SER 1 HT1 SER 1 -14.231 -3.510 1.209
4 H2 SER 1 HT2 SER 1 -12.941 -3.392 2.308
5 H3 SER 1 HT3 SER 1 -14.538 -3.174 2.844
6 HB2 SER 1 HB2 SER 1 -16.148 -5.061 2.796
7 HB3 SER 1 HB1 SER 1 -15.691 -5.541 1.163
8 H SER 2 HN SER 2 -13.125 -4.530 0.181
9 HA SER 2 HA SER 2 -11.306 -6.838 0.069
10 HG SER 2 HG SER 2 -13.113 -7.620 -1.385
11 HB2 SER 2 HB2 SER 2 -12.215 -5.048 -2.200
12 HB3 SER 2 HB1 SER 2 -11.254 -6.520 -2.346
13 H ASP 3 HN ASP 3 -11.548 -3.411 -0.814
14 HA ASP 3 HA ASP 3 -10.172 -1.647 -0.550
15 HB2 ASP 3 HB2 ASP 3 -8.893 -3.452 1.510
16 HB3 ASP 3 HB1 ASP 3 -8.512 -1.743 1.320
17 H PHE 4 HN PHE 4 -7.463 -1.341 -0.164
18 HA PHE 4 HA PHE 4 -6.504 -2.436 -2.710
19 HD1 PHE 4 HD2 PHE 4 -6.562 -0.989 -4.597
20 HD2 PHE 4 HD1 PHE 4 -7.096 1.716 -1.356
21 HE1 PHE 4 HE2 PHE 4 -8.145 0.316 -5.951
22 HE2 PHE 4 HE1 PHE 4 -8.687 3.016 -2.702
23 HZ PHE 4 HZ PHE 4 -9.214 2.318 -5.000
24 HB2 PHE 4 HB2 PHE 4 -5.611 -0.022 -1.120
25 HB3 PHE 4 HB1 PHE 4 -4.821 -0.584 -2.591
26 H CYS 5 HN CYS 5 -4.222 -3.004 -2.876
27 HA CYS 5 HA CYS 5 -2.984 -3.826 -0.360
28 HG CYS 5 HG CYS 5 -0.822 -6.190 -1.894
29 HB2 CYS 5 HB2 CYS 5 -4.150 -5.818 -1.147
30 HB3 CYS 5 HB1 CYS 5 -3.435 -5.639 -2.745
31 H CYS 6 HN CYS 6 -0.771 -3.751 -0.378
32 HA CYS 6 HA CYS 6 0.573 -2.282 -2.381
33 HB2 CYS 6 HB2 CYS 6 1.465 -2.277 -0.148
34 HB3 CYS 6 HB1 CYS 6 1.610 -4.031 -0.137
35 HA PRO 7 HA PRO 7 1.118 -5.464 -5.384
36 HB2 PRO 7 HB2 PRO 7 2.971 -4.278 -6.951
37 HB3 PRO 7 HB1 PRO 7 1.293 -3.727 -6.880
38 HG2 PRO 7 HG2 PRO 7 3.707 -2.627 -5.488
39 HG3 PRO 7 HG1 PRO 7 2.406 -1.757 -6.323
40 HD2 PRO 7 HD2 PRO 7 2.498 -2.030 -3.628
41 HD3 PRO 7 HD1 PRO 7 0.972 -1.923 -4.528
42 H LYS 8 HN LYS 8 3.409 -4.844 -3.036
43 HA LYS 8 HA LYS 8 5.172 -6.946 -4.116
44 HB2 LYS 8 HB2 LYS 8 5.908 -4.659 -2.276
45 HB3 LYS 8 HB1 LYS 8 6.974 -5.995 -2.674
46 HG2 LYS 8 HG2 LYS 8 7.038 -5.322 -4.979
47 HG3 LYS 8 HG1 LYS 8 5.843 -4.057 -4.681
48 HD2 LYS 8 HD2 LYS 8 7.391 -2.926 -3.179
49 HD3 LYS 8 HD1 LYS 8 8.572 -4.217 -3.403
50 HE2 LYS 8 HE2 LYS 8 8.792 -3.661 -5.747
51 HE3 LYS 8 HE1 LYS 8 7.527 -2.442 -5.603
52 HZ1 LYS 8 HZ1 LYS 8 10.124 -2.367 -4.165
53 HZ2 LYS 8 HZ2 LYS 8 8.924 -1.171 -4.132
54 HZ3 LYS 8 HZ3 LYS 8 9.769 -1.488 -5.568
55 H CYS 9 HN CYS 9 4.977 -5.526 -0.877
56 HA CYS 9 HA CYS 9 4.643 -8.115 0.333
57 HB2 CYS 9 HB2 CYS 9 4.617 -6.919 2.442
58 HB3 CYS 9 HB1 CYS 9 5.899 -6.255 1.435
59 H GLN 10 HN GLN 10 2.827 -8.716 1.646
60 HA GLN 10 HA GLN 10 0.314 -7.955 0.461
61 HB2 GLN 10 HB2 GLN 10 0.908 -9.830 2.760
62 HB3 GLN 10 HB1 GLN 10 -0.668 -9.619 2.006
63 HG2 GLN 10 HG2 GLN 10 0.317 -10.376 -0.139
64 HG3 GLN 10 HG1 GLN 10 1.822 -10.710 0.716
65 HE21 GLN 10 HE21 GLN 10 0.051 -12.510 -0.735
66 HE22 GLN 10 HE22 GLN 10 -0.432 -13.729 0.400
67 H TYR 11 HN TYR 11 0.232 -5.778 1.004
68 HA TYR 11 HA TYR 11 -0.338 -5.247 3.839
69 HD1 TYR 11 HD1 TYR 11 1.000 -3.488 5.476
70 HD2 TYR 11 HD2 TYR 11 -0.331 -1.358 2.041
71 HE1 TYR 11 HE1 TYR 11 0.418 -1.576 6.898
72 HE2 TYR 11 HE2 TYR 11 -0.917 0.563 3.454
73 HH TYR 11 HH TYR 11 0.185 1.067 6.439
74 HB2 TYR 11 HB2 TYR 11 1.705 -4.106 3.116
75 HB3 TYR 11 HB1 TYR 11 0.838 -3.378 1.768
76 H GLN 12 HN GLN 12 -2.449 -5.115 4.076
77 HA GLN 12 HA GLN 12 -4.183 -4.233 1.961
78 HB2 GLN 12 HB2 GLN 12 -4.770 -4.887 4.860
79 HB3 GLN 12 HB1 GLN 12 -5.993 -4.516 3.655
80 HG2 GLN 12 HG2 GLN 12 -5.983 -6.845 3.825
81 HG3 GLN 12 HG1 GLN 12 -5.099 -6.490 2.342
82 HE21 GLN 12 HE21 GLN 12 -3.791 -6.108 5.571
83 HE22 GLN 12 HE22 GLN 12 -2.616 -7.378 5.455
84 H ALA 13 HN ALA 13 -4.857 -2.236 1.604
85 HA ALA 13 HA ALA 13 -4.511 -0.226 3.737
86 HB1 ALA 13 HB1 ALA 13 -4.049 0.158 0.780
87 HB2 ALA 13 HB2 ALA 13 -2.799 0.082 2.023
88 HB3 ALA 13 HB3 ALA 13 -3.951 1.418 2.010
89 HA PRO 14 HA PRO 14 -8.928 0.055 3.025
90 HB2 PRO 14 HB2 PRO 14 -9.341 2.131 4.766
91 HB3 PRO 14 HB1 PRO 14 -9.205 0.442 5.263
92 HG2 PRO 14 HG2 PRO 14 -7.142 2.604 5.325
93 HG3 PRO 14 HG1 PRO 14 -7.485 1.350 6.530
94 HD2 PRO 14 HD2 PRO 14 -5.414 1.167 4.811
95 HD3 PRO 14 HD1 PRO 14 -6.308 -0.262 5.373
96 H ASP 15 HN ASP 15 -6.842 2.909 3.165
97 HA ASP 15 HA ASP 15 -8.524 4.213 1.146
98 HB2 ASP 15 HB2 ASP 15 -6.759 5.230 3.313
99 HB3 ASP 15 HB1 ASP 15 -6.809 6.165 1.822
100 H MET 16 HN MET 16 -7.703 4.825 -0.801
101 HA MET 16 HA MET 16 -5.332 3.628 -1.777
102 HB2 MET 16 HB2 MET 16 -7.288 4.334 -3.176
103 HB3 MET 16 HB1 MET 16 -6.821 6.006 -2.918
104 HG2 MET 16 HG2 MET 16 -4.857 4.090 -4.093
105 HG3 MET 16 HG1 MET 16 -6.137 4.761 -5.099
106 HE1 MET 16 HE1 MET 16 -5.438 8.618 -4.661
107 HE2 MET 16 HE2 MET 16 -6.444 7.602 -3.630
108 HE3 MET 16 HE3 MET 16 -6.506 7.415 -5.381
109 H ASP 17 HN ASP 17 -6.098 6.671 -0.276
110 HA ASP 17 HA ASP 17 -3.741 8.118 -0.590
111 HB2 ASP 17 HB2 ASP 17 -5.790 8.899 0.606
112 HB3 ASP 17 HB1 ASP 17 -5.375 7.837 1.938
113 H THR 18 HN THR 18 -4.607 6.050 2.136
114 HA THR 18 HA THR 18 -2.211 5.768 3.426
115 HB THR 18 HB THR 18 -4.228 3.562 2.970
116 HG1 THR 18 HG1 THR 18 -4.305 5.021 5.325
117 HG21 THR 18 HG21 THR 18 -2.271 3.982 5.234
118 HG22 THR 18 HG22 THR 18 -2.139 2.761 3.968
119 HG23 THR 18 HG23 THR 18 -3.470 2.690 5.126
120 H LEU 19 HN LEU 19 -3.398 3.841 0.692
121 HA LEU 19 HA LEU 19 -1.256 2.067 0.478
122 HG LEU 19 HG LEU 19 -1.014 1.972 -2.596
123 HB2 LEU 19 HB2 LEU 19 -3.374 1.798 -0.722
124 HB3 LEU 19 HB1 LEU 19 -3.002 3.203 -1.705
125 HD11 LEU 19 HD11 LEU 19 -0.946 -0.459 -2.305
126 HD12 LEU 19 HD12 LEU 19 -2.257 -0.347 -1.129
127 HD13 LEU 19 HD13 LEU 19 -0.695 0.396 -0.782
128 HD21 LEU 19 HD21 LEU 19 -2.315 0.511 -4.071
129 HD22 LEU 19 HD22 LEU 19 -3.073 2.088 -3.868
130 HD23 LEU 19 HD23 LEU 19 -3.708 0.687 -3.007
131 H GLN 20 HN GLN 20 -1.786 5.148 -1.234
132 HA GLN 20 HA GLN 20 0.603 5.140 -2.688
133 HB2 GLN 20 HB2 GLN 20 -1.279 6.640 -3.171
134 HB3 GLN 20 HB1 GLN 20 -0.977 7.507 -1.672
135 HG2 GLN 20 HG2 GLN 20 1.165 8.253 -2.493
136 HG3 GLN 20 HG1 GLN 20 0.960 7.310 -3.967
137 HE21 GLN 20 HE21 GLN 20 -1.615 9.086 -2.407
138 HE22 GLN 20 HE22 GLN 20 -1.822 10.262 -3.661
139 H ILE 21 HN ILE 21 -0.134 6.454 0.520
140 HA ILE 21 HA ILE 21 2.327 7.674 1.056
141 HB ILE 21 HB ILE 21 0.469 6.282 3.000
142 HG12 ILE 21 HG12 ILE 21 0.666 9.214 2.289
143 HG13 ILE 21 HG11 ILE 21 -0.535 8.116 1.618
144 HG21 ILE 21 HG21 ILE 21 1.504 7.729 4.703
145 HG22 ILE 21 HG22 ILE 21 2.661 8.296 3.498
146 HG23 ILE 21 HG23 ILE 21 2.657 6.602 3.989
147 HD11 ILE 21 HD11 ILE 21 -1.447 9.456 3.420
148 HD12 ILE 21 HD12 ILE 21 -0.228 8.819 4.525
149 HD13 ILE 21 HD13 ILE 21 -1.445 7.742 3.836
150 H HIS 22 HN HIS 22 1.210 4.388 1.811
151 HA HIS 22 HA HIS 22 3.608 3.423 2.884
152 HD1 HIS 22 HD1 HIS 22 3.573 0.561 4.163
153 HD2 HIS 22 HD2 HIS 22 2.558 -0.025 0.171
154 HE1 HIS 22 HE1 HIS 22 4.591 -1.650 3.486
155 HB2 HIS 22 HB2 HIS 22 1.616 2.132 3.205
156 HB3 HIS 22 HB1 HIS 22 1.325 2.027 1.473
157 H VAL 23 HN VAL 23 2.398 3.266 -0.480
158 HA VAL 23 HA VAL 23 4.491 1.702 -1.481
159 HB VAL 23 HB VAL 23 2.783 3.721 -2.957
160 HG11 VAL 23 HG11 VAL 23 4.496 1.498 -4.075
161 HG12 VAL 23 HG12 VAL 23 4.842 3.226 -4.204
162 HG13 VAL 23 HG13 VAL 23 3.420 2.548 -4.999
163 HG21 VAL 23 HG21 VAL 23 2.551 0.729 -2.688
164 HG22 VAL 23 HG22 VAL 23 1.495 1.768 -3.647
165 HG23 VAL 23 HG23 VAL 23 1.526 1.919 -1.888
166 H MET 24 HN MET 24 4.310 5.194 -1.005
167 HA MET 24 HA MET 24 6.693 5.817 -2.426
168 HB2 MET 24 HB2 MET 24 5.294 7.272 -0.179
169 HB3 MET 24 HB1 MET 24 6.677 7.914 -1.055
170 HG2 MET 24 HG2 MET 24 5.392 7.827 -3.138
171 HG3 MET 24 HG1 MET 24 4.002 7.211 -2.245
172 HE1 MET 24 HE1 MET 24 4.310 8.925 0.477
173 HE2 MET 24 HE2 MET 24 2.766 8.613 -0.316
174 HE3 MET 24 HE3 MET 24 3.216 10.261 0.123
175 H GLU 25 HN GLU 25 6.020 5.023 0.941
176 HA GLU 25 HA GLU 25 8.818 5.174 1.700
177 HB2 GLU 25 HB2 GLU 25 6.390 4.196 3.219
178 HB3 GLU 25 HB1 GLU 25 7.987 4.414 3.908
179 HG2 GLU 25 HG2 GLU 25 7.846 6.819 3.423
180 HG3 GLU 25 HG1 GLU 25 6.221 6.570 2.783
181 H CYS 26 HN CYS 26 7.162 3.045 -0.054
182 HA CYS 26 HA CYS 26 7.686 0.622 1.387
183 HB2 CYS 26 HB2 CYS 26 5.571 0.922 0.221
184 HB3 CYS 26 HB1 CYS 26 6.420 1.117 -1.305
185 H ILE 27 HN ILE 27 9.495 -0.409 1.278
186 HA ILE 27 HA ILE 27 10.942 -0.557 -1.278
187 HB ILE 27 HB ILE 27 12.732 -1.702 -0.015
188 HG12 ILE 27 HG12 ILE 27 11.082 -1.061 2.443
189 HG13 ILE 27 HG11 ILE 27 11.286 -2.671 1.761
190 HG21 ILE 27 HG21 ILE 27 12.825 0.714 -0.319
191 HG22 ILE 27 HG22 ILE 27 13.529 0.252 1.230
192 HG23 ILE 27 HG23 ILE 27 11.910 0.948 1.170
193 HD11 ILE 27 HD11 ILE 27 13.478 -0.942 2.887
194 HD12 ILE 27 HD12 ILE 27 13.683 -2.555 2.204
195 HD13 ILE 27 HD13 ILE 27 12.738 -2.334 3.676
196 H GLU 28 HN GLU 28 8.909 -2.216 0.902
197 HA GLU 28 HA GLU 28 8.592 -4.403 -0.986
198 HB2 GLU 28 HB2 GLU 28 10.178 -5.299 0.670
199 HB3 GLU 28 HB1 GLU 28 9.089 -4.835 1.972
200 HG2 GLU 28 HG2 GLU 28 7.386 -6.360 1.014
201 HG3 GLU 28 HG1 GLU 28 8.587 -6.896 -0.157
Start of MODEL 10
1 HA SER 1 HA SER 1 -14.082 -2.058 -4.528
2 HG SER 1 HG SER 1 -15.854 -3.933 -1.779
3 H1 SER 1 HT1 SER 1 -13.215 -4.427 -2.983
4 H2 SER 1 HT2 SER 1 -12.188 -3.351 -3.793
5 H3 SER 1 HT3 SER 1 -13.294 -4.293 -4.671
6 HB2 SER 1 HB2 SER 1 -16.282 -2.544 -3.391
7 HB3 SER 1 HB1 SER 1 -15.783 -3.740 -4.587
8 H SER 2 HN SER 2 -12.431 -3.008 -1.778
9 HA SER 2 HA SER 2 -13.193 -0.497 -0.472
10 HG SER 2 HG SER 2 -12.231 -3.545 1.740
11 HB2 SER 2 HB2 SER 2 -13.062 -1.621 1.752
12 HB3 SER 2 HB1 SER 2 -14.399 -2.198 0.758
13 H ASP 3 HN ASP 3 -10.941 -3.176 0.186
14 HA ASP 3 HA ASP 3 -8.903 -1.202 0.877
15 HB2 ASP 3 HB2 ASP 3 -8.876 -4.208 1.255
16 HB3 ASP 3 HB1 ASP 3 -7.724 -3.061 1.930
17 H PHE 4 HN PHE 4 -6.799 -1.313 0.073
18 HA PHE 4 HA PHE 4 -6.502 -2.736 -2.497
19 HD1 PHE 4 HD2 PHE 4 -7.120 -1.005 -4.568
20 HD2 PHE 4 HD1 PHE 4 -6.644 1.387 -1.078
21 HE1 PHE 4 HE2 PHE 4 -8.988 0.419 -5.297
22 HE2 PHE 4 HE1 PHE 4 -8.516 2.816 -1.802
23 HZ PHE 4 HZ PHE 4 -9.674 2.359 -3.891
24 HB2 PHE 4 HB2 PHE 4 -5.040 -0.237 -1.600
25 HB3 PHE 4 HB1 PHE 4 -4.989 -0.976 -3.195
26 H CYS 5 HN CYS 5 -4.232 -3.394 -2.977
27 HA CYS 5 HA CYS 5 -2.780 -4.047 -0.500
28 HG CYS 5 HG CYS 5 -0.556 -6.462 -2.130
29 HB2 CYS 5 HB2 CYS 5 -3.874 -6.042 -1.447
30 HB3 CYS 5 HB1 CYS 5 -3.044 -5.770 -2.976
31 H CYS 6 HN CYS 6 -0.525 -4.116 -0.621
32 HA CYS 6 HA CYS 6 0.640 -2.329 -2.561
33 HB2 CYS 6 HB2 CYS 6 1.432 -2.190 -0.284
34 HB3 CYS 6 HB1 CYS 6 1.842 -3.903 -0.274
35 HA PRO 7 HA PRO 7 1.738 -5.705 -5.311
36 HB2 PRO 7 HB2 PRO 7 2.871 -4.212 -7.238
37 HB3 PRO 7 HB1 PRO 7 1.121 -4.245 -6.989
38 HG2 PRO 7 HG2 PRO 7 3.123 -2.209 -6.086
39 HG3 PRO 7 HG1 PRO 7 1.530 -1.958 -6.826
40 HD2 PRO 7 HD2 PRO 7 1.967 -1.779 -4.144
41 HD3 PRO 7 HD1 PRO 7 0.418 -2.293 -4.843
42 H LYS 8 HN LYS 8 3.494 -4.928 -3.055
43 HA LYS 8 HA LYS 8 6.067 -5.703 -4.227
44 HB2 LYS 8 HB2 LYS 8 5.681 -3.496 -2.189
45 HB3 LYS 8 HB1 LYS 8 7.233 -4.126 -2.714
46 HG2 LYS 8 HG2 LYS 8 5.283 -2.925 -4.647
47 HG3 LYS 8 HG1 LYS 8 6.428 -1.938 -3.738
48 HD2 LYS 8 HD2 LYS 8 7.201 -4.250 -5.523
49 HD3 LYS 8 HD1 LYS 8 7.217 -2.556 -6.017
50 HE2 LYS 8 HE2 LYS 8 8.793 -2.103 -4.132
51 HE3 LYS 8 HE1 LYS 8 8.864 -3.839 -3.844
52 HZ1 LYS 8 HZ1 LYS 8 10.722 -3.147 -5.182
53 HZ2 LYS 8 HZ2 LYS 8 9.692 -2.437 -6.328
54 HZ3 LYS 8 HZ3 LYS 8 9.694 -4.120 -6.121
55 H CYS 9 HN CYS 9 3.832 -5.666 -1.564
56 HA CYS 9 HA CYS 9 5.006 -7.965 -0.333
57 HB2 CYS 9 HB2 CYS 9 5.445 -6.888 1.855
58 HB3 CYS 9 HB1 CYS 9 6.496 -6.254 0.591
59 H GLN 10 HN GLN 10 3.763 -8.389 1.833
60 HA GLN 10 HA GLN 10 0.963 -8.125 1.237
61 HB2 GLN 10 HB2 GLN 10 2.581 -9.560 3.279
62 HB3 GLN 10 HB1 GLN 10 0.907 -9.209 3.675
63 HG2 GLN 10 HG2 GLN 10 1.063 -11.411 2.749
64 HG3 GLN 10 HG1 GLN 10 0.200 -10.366 1.624
65 HE21 GLN 10 HE21 GLN 10 0.628 -11.684 -0.098
66 HE22 GLN 10 HE22 GLN 10 2.196 -11.819 -0.816
67 H TYR 11 HN TYR 11 0.064 -6.212 1.533
68 HA TYR 11 HA TYR 11 -0.142 -5.158 4.194
69 HD1 TYR 11 HD1 TYR 11 1.336 -3.121 5.682
70 HD2 TYR 11 HD2 TYR 11 -0.234 -1.550 2.057
71 HE1 TYR 11 HE1 TYR 11 0.658 -1.079 6.870
72 HE2 TYR 11 HE2 TYR 11 -0.917 0.498 3.230
73 HH TYR 11 HH TYR 11 -1.455 1.202 5.537
74 HB2 TYR 11 HB2 TYR 11 1.943 -4.076 3.491
75 HB3 TYR 11 HB1 TYR 11 1.166 -3.492 2.023
76 H GLN 12 HN GLN 12 -2.160 -4.480 4.447
77 HA GLN 12 HA GLN 12 -3.751 -3.938 2.041
78 HB2 GLN 12 HB2 GLN 12 -4.647 -4.552 4.861
79 HB3 GLN 12 HB1 GLN 12 -5.713 -4.292 3.489
80 HG2 GLN 12 HG2 GLN 12 -4.692 -6.260 2.386
81 HG3 GLN 12 HG1 GLN 12 -3.762 -6.551 3.856
82 HE21 GLN 12 HE21 GLN 12 -4.722 -8.536 4.225
83 HE22 GLN 12 HE22 GLN 12 -6.365 -8.701 4.748
84 H ALA 13 HN ALA 13 -4.556 -1.986 1.639
85 HA ALA 13 HA ALA 13 -4.481 0.031 3.788
86 HB1 ALA 13 HB1 ALA 13 -3.906 0.476 0.858
87 HB2 ALA 13 HB2 ALA 13 -2.722 0.501 2.165
88 HB3 ALA 13 HB3 ALA 13 -3.985 1.733 2.093
89 HA PRO 14 HA PRO 14 -8.862 -0.070 2.888
90 HB2 PRO 14 HB2 PRO 14 -9.532 1.976 4.584
91 HB3 PRO 14 HB1 PRO 14 -9.269 0.308 5.104
92 HG2 PRO 14 HG2 PRO 14 -7.402 2.643 5.213
93 HG3 PRO 14 HG1 PRO 14 -7.696 1.387 6.432
94 HD2 PRO 14 HD2 PRO 14 -5.538 1.321 4.827
95 HD3 PRO 14 HD1 PRO 14 -6.367 -0.163 5.344
96 H ASP 15 HN ASP 15 -7.080 2.993 3.086
97 HA ASP 15 HA ASP 15 -8.854 4.094 1.020
98 HB2 ASP 15 HB2 ASP 15 -8.644 5.325 3.217
99 HB3 ASP 15 HB1 ASP 15 -6.961 5.638 2.800
100 H MET 16 HN MET 16 -7.917 5.282 -0.724
101 HA MET 16 HA MET 16 -5.684 4.035 -1.908
102 HB2 MET 16 HB2 MET 16 -7.656 5.346 -2.982
103 HB3 MET 16 HB1 MET 16 -6.674 6.769 -2.684
104 HG2 MET 16 HG2 MET 16 -5.695 4.407 -4.257
105 HG3 MET 16 HG1 MET 16 -6.535 5.772 -4.985
106 HE1 MET 16 HE1 MET 16 -3.635 4.710 -5.840
107 HE2 MET 16 HE2 MET 16 -2.776 6.233 -6.067
108 HE3 MET 16 HE3 MET 16 -4.435 6.063 -6.639
109 H ASP 17 HN ASP 17 -6.089 6.927 0.015
110 HA ASP 17 HA ASP 17 -3.627 8.200 -0.415
111 HB2 ASP 17 HB2 ASP 17 -5.690 9.019 0.887
112 HB3 ASP 17 HB1 ASP 17 -5.052 8.105 2.241
113 H THR 18 HN THR 18 -4.624 6.016 2.172
114 HA THR 18 HA THR 18 -2.261 5.654 3.527
115 HB THR 18 HB THR 18 -4.205 3.422 2.945
116 HG1 THR 18 HG1 THR 18 -4.560 4.999 5.214
117 HG21 THR 18 HG21 THR 18 -3.601 2.674 5.196
118 HG22 THR 18 HG22 THR 18 -2.498 4.040 5.359
119 HG23 THR 18 HG23 THR 18 -2.175 2.784 4.165
120 H LEU 19 HN LEU 19 -3.418 3.944 0.649
121 HA LEU 19 HA LEU 19 -1.276 2.116 0.443
122 HG LEU 19 HG LEU 19 -1.060 2.039 -2.626
123 HB2 LEU 19 HB2 LEU 19 -3.406 1.810 -0.742
124 HB3 LEU 19 HB1 LEU 19 -3.071 3.226 -1.721
125 HD11 LEU 19 HD11 LEU 19 -0.914 -0.375 -2.351
126 HD12 LEU 19 HD12 LEU 19 -2.275 -0.340 -1.230
127 HD13 LEU 19 HD13 LEU 19 -0.757 0.447 -0.800
128 HD21 LEU 19 HD21 LEU 19 -3.729 0.705 -3.059
129 HD22 LEU 19 HD22 LEU 19 -2.340 0.625 -4.142
130 HD23 LEU 19 HD23 LEU 19 -3.153 2.165 -3.866
131 H GLN 20 HN GLN 20 -1.890 5.220 -1.168
132 HA GLN 20 HA GLN 20 0.411 5.310 -2.743
133 HB2 GLN 20 HB2 GLN 20 -1.584 6.840 -2.899
134 HB3 GLN 20 HB1 GLN 20 -0.965 7.693 -1.493
135 HG2 GLN 20 HG2 GLN 20 -0.355 8.901 -3.465
136 HG3 GLN 20 HG1 GLN 20 1.096 8.202 -2.752
137 HE21 GLN 20 HE21 GLN 20 -1.135 8.085 -5.413
138 HE22 GLN 20 HE22 GLN 20 -0.165 7.080 -6.440
139 H ILE 21 HN ILE 21 -0.141 6.511 0.552
140 HA ILE 21 HA ILE 21 2.372 7.625 1.042
141 HB ILE 21 HB ILE 21 0.590 6.152 2.993
142 HG12 ILE 21 HG12 ILE 21 0.780 9.113 2.385
143 HG13 ILE 21 HG11 ILE 21 -0.514 8.050 1.842
144 HG21 ILE 21 HG21 ILE 21 2.838 6.380 3.877
145 HG22 ILE 21 HG22 ILE 21 1.748 7.479 4.721
146 HG23 ILE 21 HG23 ILE 21 2.845 8.101 3.488
147 HD11 ILE 21 HD11 ILE 21 0.157 8.678 4.704
148 HD12 ILE 21 HD12 ILE 21 -1.147 7.624 4.155
149 HD13 ILE 21 HD13 ILE 21 -1.185 9.348 3.780
150 H HIS 22 HN HIS 22 1.204 4.334 1.701
151 HA HIS 22 HA HIS 22 3.590 3.348 2.774
152 HD1 HIS 22 HD1 HIS 22 3.399 0.580 4.234
153 HD2 HIS 22 HD2 HIS 22 2.736 -0.111 0.187
154 HE1 HIS 22 HE1 HIS 22 4.498 -1.646 3.697
155 HB2 HIS 22 HB2 HIS 22 1.570 2.110 3.134
156 HB3 HIS 22 HB1 HIS 22 1.307 1.923 1.402
157 H VAL 23 HN VAL 23 2.406 3.303 -0.586
158 HA VAL 23 HA VAL 23 4.464 1.672 -1.594
159 HB VAL 23 HB VAL 23 2.928 3.818 -3.086
160 HG11 VAL 23 HG11 VAL 23 3.507 2.554 -5.094
161 HG12 VAL 23 HG12 VAL 23 4.455 1.427 -4.123
162 HG13 VAL 23 HG13 VAL 23 4.959 3.113 -4.264
163 HG21 VAL 23 HG21 VAL 23 2.386 0.863 -2.797
164 HG22 VAL 23 HG22 VAL 23 1.481 1.984 -3.813
165 HG23 VAL 23 HG23 VAL 23 1.452 2.165 -2.059
166 H MET 24 HN MET 24 4.282 5.137 -1.026
167 HA MET 24 HA MET 24 6.709 5.827 -2.322
168 HB2 MET 24 HB2 MET 24 5.139 7.191 -0.132
169 HB3 MET 24 HB1 MET 24 6.572 7.890 -0.873
170 HG2 MET 24 HG2 MET 24 5.481 7.916 -3.030
171 HG3 MET 24 HG1 MET 24 4.059 7.131 -2.342
172 HE1 MET 24 HE1 MET 24 2.587 9.077 -3.432
173 HE2 MET 24 HE2 MET 24 4.027 9.895 -4.038
174 HE3 MET 24 HE3 MET 24 2.831 10.792 -3.101
175 H GLU 25 HN GLU 25 5.926 4.681 0.900
176 HA GLU 25 HA GLU 25 8.629 5.085 1.874
177 HB2 GLU 25 HB2 GLU 25 6.335 3.583 3.150
178 HB3 GLU 25 HB1 GLU 25 7.821 4.083 3.942
179 HG2 GLU 25 HG2 GLU 25 7.198 6.433 3.565
180 HG3 GLU 25 HG1 GLU 25 5.671 5.892 2.863
181 H CYS 26 HN CYS 26 6.843 2.686 0.248
182 HA CYS 26 HA CYS 26 8.407 0.436 1.174
183 HB2 CYS 26 HB2 CYS 26 5.943 0.331 0.641
184 HB3 CYS 26 HB1 CYS 26 6.360 0.547 -1.052
185 H ILE 27 HN ILE 27 10.190 2.108 0.205
186 HA ILE 27 HA ILE 27 10.666 1.784 -2.615
187 HB ILE 27 HB ILE 27 12.883 2.908 -2.038
188 HG12 ILE 27 HG12 ILE 27 11.479 3.273 0.620
189 HG13 ILE 27 HG11 ILE 27 12.915 2.291 0.352
190 HG21 ILE 27 HG21 ILE 27 11.828 5.108 -1.796
191 HG22 ILE 27 HG22 ILE 27 10.305 4.320 -1.385
192 HG23 ILE 27 HG23 ILE 27 11.001 4.109 -2.992
193 HD11 ILE 27 HD11 ILE 27 12.722 5.274 0.010
194 HD12 ILE 27 HD12 ILE 27 14.160 4.293 -0.273
195 HD13 ILE 27 HD13 ILE 27 13.486 4.421 1.351
196 H GLU 28 HN GLU 28 11.269 -0.132 -3.353
197 HA GLU 28 HA GLU 28 13.789 -1.214 -2.474
198 HB2 GLU 28 HB2 GLU 28 12.069 -2.276 -0.946
199 HB3 GLU 28 HB1 GLU 28 11.372 -3.028 -2.374
200 HG2 GLU 28 HG2 GLU 28 13.539 -4.133 -2.805
201 HG3 GLU 28 HG1 GLU 28 14.155 -3.445 -1.305