NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
9985 |
1p5l   |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 HT1 ALA 1 0.242 5.563 16.309
2 2H ALA 1 HT2 ALA 1 -0.845 6.829 15.905
3 3H ALA 1 HT3 ALA 1 0.671 7.193 16.625
4 HA ALA 1 HA ALA 1 1.024 7.683 14.462
5 1HB ALA 1 HB1 ALA 1 2.888 6.454 14.870
6 2HB ALA 1 HB2 ALA 1 2.200 5.462 13.584
7 3HB ALA 1 HB3 ALA 1 1.977 4.998 15.271
8 H LYS 2 HN LYS 2 -0.225 8.012 12.754
9 HA LYS 2 HA LYS 2 -2.026 5.878 11.865
10 1HB LYS 2 HB2 LYS 2 -2.407 8.613 12.236
11 2HB LYS 2 HB1 LYS 2 -2.323 8.423 10.491
12 1HG LYS 2 HG2 LYS 2 -4.021 6.479 11.906
13 2HG LYS 2 HG1 LYS 2 -4.578 8.153 11.926
14 1HD LYS 2 HD2 LYS 2 -4.501 8.245 9.509
15 2HD LYS 2 HD1 LYS 2 -3.819 6.618 9.441
16 1HE LYS 2 HE2 LYS 2 -5.818 5.623 10.117
17 2HE LYS 2 HE1 LYS 2 -6.456 7.132 10.769
18 1HZ LYS 2 HZ1 LYS 2 -7.179 7.799 8.758
19 2HZ LYS 2 HZ2 LYS 2 -7.177 6.142 8.419
20 3HZ LYS 2 HZ3 LYS 2 -5.882 7.108 7.919
21 H LYS 3 HN LYS 3 0.831 5.845 11.288
22 HA LYS 3 HA LYS 3 0.923 6.383 8.404
23 1HB LYS 3 HB2 LYS 3 3.329 5.952 8.598
24 2HB LYS 3 HB1 LYS 3 2.812 7.179 9.747
25 1HG LYS 3 HG2 LYS 3 3.988 5.992 11.227
26 2HG LYS 3 HG1 LYS 3 2.589 4.917 11.239
27 1HD LYS 3 HD2 LYS 3 4.344 4.296 9.034
28 2HD LYS 3 HD1 LYS 3 5.223 4.266 10.563
29 1HE LYS 3 HE2 LYS 3 3.968 2.538 11.408
30 2HE LYS 3 HE1 LYS 3 2.569 2.923 10.406
31 1HZ LYS 3 HZ1 LYS 3 4.209 0.891 9.919
32 2HZ LYS 3 HZ2 LYS 3 4.956 2.083 8.981
33 3HZ LYS 3 HZ3 LYS 3 3.335 1.686 8.708
34 H VAL 4 HN VAL 4 -0.404 4.006 9.988
35 HA VAL 4 HA VAL 4 0.875 1.643 9.174
36 HB VAL 4 HB VAL 4 -2.115 2.084 9.319
37 1HG1 VAL 4 HG11 VAL 4 -1.720 -0.443 10.144
38 2HG1 VAL 4 HG12 VAL 4 -0.380 -0.281 9.009
39 3HG1 VAL 4 HG13 VAL 4 -2.034 -0.005 8.464
40 1HG2 VAL 4 HG21 VAL 4 -0.728 0.846 11.601
41 2HG2 VAL 4 HG22 VAL 4 -2.075 1.983 11.570
42 3HG2 VAL 4 HG23 VAL 4 -0.423 2.568 11.372
43 H SER 5 HN SER 5 -0.647 4.119 7.489
44 HA SER 5 HA SER 5 -1.760 3.190 5.234
45 1HB SER 5 HB2 SER 5 -1.249 5.592 5.949
46 2HB SER 5 HB1 SER 5 0.327 5.357 5.201
47 HG SER 5 HG SER 5 -1.543 6.277 3.906
48 H LYS 6 HN LYS 6 1.585 3.088 6.084
49 HA LYS 6 HA LYS 6 2.704 2.493 3.585
50 1HB LYS 6 HB2 LYS 6 4.016 3.115 5.606
51 2HB LYS 6 HB1 LYS 6 3.651 1.540 6.296
52 1HG LYS 6 HG2 LYS 6 5.446 0.715 5.307
53 2HG LYS 6 HG1 LYS 6 4.724 1.066 3.737
54 1HD LYS 6 HD2 LYS 6 5.866 3.426 5.006
55 2HD LYS 6 HD1 LYS 6 7.056 2.152 4.738
56 1HE LYS 6 HE2 LYS 6 6.781 3.809 2.859
57 2HE LYS 6 HE1 LYS 6 6.627 2.111 2.413
58 1HZ LYS 6 HZ1 LYS 6 4.355 2.304 2.135
59 2HZ LYS 6 HZ2 LYS 6 4.910 3.783 1.533
60 3HZ LYS 6 HZ3 LYS 6 4.237 3.701 3.082
61 H ARG 7 HN ARG 7 1.559 0.340 6.180
62 HA ARG 7 HA ARG 7 2.080 -2.069 4.810
63 1HB ARG 7 HB2 ARG 7 0.682 -1.249 7.228
64 2HB ARG 7 HB1 ARG 7 -0.155 -2.557 6.404
65 1HG ARG 7 HG2 ARG 7 2.372 -3.486 6.326
66 2HG ARG 7 HG1 ARG 7 2.418 -2.554 7.825
67 1HD ARG 7 HD2 ARG 7 0.621 -3.801 8.752
68 2HD ARG 7 HD1 ARG 7 0.266 -4.565 7.203
69 HE ARG 7 HE ARG 7 2.909 -5.162 8.016
70 1HH1 ARG 7 HH11 ARG 7 -0.416 -5.954 8.722
71 2HH1 ARG 7 HH12 ARG 7 -0.043 -7.538 9.315
72 1HH2 ARG 7 HH21 ARG 7 3.401 -7.245 8.795
73 2HH2 ARG 7 HH22 ARG 7 2.124 -8.271 9.357
74 H LEU 8 HN LEU 8 -0.704 0.083 4.917
75 HA LEU 8 HA LEU 8 -2.437 -1.524 3.362
76 1HB LEU 8 HB2 LEU 8 -2.331 1.425 3.956
77 2HB LEU 8 HB1 LEU 8 -3.543 0.751 2.883
78 HG LEU 8 HG LEU 8 -3.324 -0.560 5.519
79 1HD1 LEU 8 HD11 LEU 8 -2.994 1.793 6.131
80 2HD1 LEU 8 HD12 LEU 8 -4.553 1.178 6.682
81 3HD1 LEU 8 HD13 LEU 8 -4.467 2.218 5.260
82 1HD2 LEU 8 HD21 LEU 8 -5.864 0.508 4.472
83 2HD2 LEU 8 HD22 LEU 8 -5.483 -1.083 5.132
84 3HD2 LEU 8 HD23 LEU 8 -5.060 -0.696 3.464
85 H GLU 9 HN GLU 9 -0.127 1.048 2.581
86 HA GLU 9 HA GLU 9 -0.675 1.158 -0.182
87 1HB GLU 9 HB2 GLU 9 1.016 2.487 1.575
88 2HB GLU 9 HB1 GLU 9 2.121 1.649 0.495
89 1HG GLU 9 HG2 GLU 9 1.878 3.484 -0.763
90 2HG GLU 9 HG1 GLU 9 0.401 2.684 -1.297
91 H LYS 10 HN LYS 10 1.142 -1.063 1.780
92 HA LYS 10 HA LYS 10 2.693 -2.206 -0.318
93 1HB LYS 10 HB2 LYS 10 2.332 -2.602 2.508
94 2HB LYS 10 HB1 LYS 10 2.260 -4.155 1.687
95 1HG LYS 10 HG2 LYS 10 4.444 -2.492 0.736
96 2HG LYS 10 HG1 LYS 10 4.538 -2.824 2.466
97 1HD LYS 10 HD2 LYS 10 3.862 -5.136 0.775
98 2HD LYS 10 HD1 LYS 10 5.482 -4.479 0.540
99 1HE LYS 10 HE2 LYS 10 5.261 -4.520 3.267
100 2HE LYS 10 HE1 LYS 10 4.357 -5.960 2.799
101 1HZ LYS 10 HZ1 LYS 10 6.511 -6.229 1.274
102 2HZ LYS 10 HZ2 LYS 10 6.401 -6.870 2.835
103 3HZ LYS 10 HZ3 LYS 10 7.201 -5.402 2.579
104 H LEU 11 HN LEU 11 -0.423 -2.976 1.160
105 HA LEU 11 HA LEU 11 -0.862 -5.354 -0.339
106 1HB LEU 11 HB2 LEU 11 -1.979 -4.629 1.845
107 2HB LEU 11 HB1 LEU 11 -3.006 -3.612 0.853
108 HG LEU 11 HG LEU 11 -3.367 -5.952 -0.418
109 1HD1 LEU 11 HD11 LEU 11 -3.082 -7.811 0.825
110 2HD1 LEU 11 HD12 LEU 11 -3.443 -6.985 2.341
111 3HD1 LEU 11 HD13 LEU 11 -1.844 -6.834 1.614
112 1HD2 LEU 11 HD21 LEU 11 -4.911 -4.257 0.973
113 2HD2 LEU 11 HD22 LEU 11 -4.983 -5.662 2.036
114 3HD2 LEU 11 HD23 LEU 11 -5.487 -5.804 0.351
115 H PHE 12 HN PHE 12 -1.587 -1.958 -0.840
116 HA PHE 12 HA PHE 12 -3.255 -2.442 -3.139
117 1HB PHE 12 HB2 PHE 12 -3.050 -0.363 -1.404
118 2HB PHE 12 HB1 PHE 12 -2.111 0.254 -2.759
119 HD1 PHE 12 HD1 PHE 12 -5.263 -1.723 -2.426
120 HD2 PHE 12 HD2 PHE 12 -3.318 1.688 -4.068
121 HE1 PHE 12 HE1 PHE 12 -7.345 -1.094 -3.575
122 HE2 PHE 12 HE2 PHE 12 -5.397 2.324 -5.219
123 HZ PHE 12 HZ PHE 12 -7.415 0.932 -4.974
124 H SER 13 HN SER 13 0.098 -2.256 -2.578
125 HA SER 13 HA SER 13 1.063 -1.065 -4.900
126 1HB SER 13 HB2 SER 13 2.207 -2.259 -2.720
127 2HB SER 13 HB1 SER 13 2.587 -3.417 -3.994
128 HG SER 13 HG SER 13 3.301 -0.695 -3.804
129 H LYS 14 HN LYS 14 -0.217 -4.275 -4.355
130 HA LYS 14 HA LYS 14 0.683 -5.480 -6.739
131 1HB LYS 14 HB2 LYS 14 -1.113 -6.134 -4.569
132 2HB LYS 14 HB1 LYS 14 -1.796 -6.640 -6.108
133 1HG LYS 14 HG2 LYS 14 1.020 -7.324 -5.838
134 2HG LYS 14 HG1 LYS 14 0.003 -8.053 -4.594
135 1HD LYS 14 HD2 LYS 14 -0.026 -9.618 -6.327
136 2HD LYS 14 HD1 LYS 14 -1.537 -8.731 -6.536
137 1HE LYS 14 HE2 LYS 14 -0.569 -8.951 -8.691
138 2HE LYS 14 HE1 LYS 14 -0.331 -7.276 -8.194
139 1HZ LYS 14 HZ1 LYS 14 1.639 -8.413 -9.227
140 2HZ LYS 14 HZ2 LYS 14 1.743 -9.359 -7.829
141 3HZ LYS 14 HZ3 LYS 14 1.926 -7.681 -7.728
142 H ILE 15 HN ILE 15 -2.311 -3.753 -5.945
143 HA ILE 15 HA ILE 15 -3.472 -4.073 -8.527
144 HB ILE 15 HB ILE 15 -4.134 -1.956 -6.484
145 1HG1 ILE 15 HG12 ILE 15 -4.108 -4.382 -5.645
146 2HG1 ILE 15 HG11 ILE 15 -5.585 -3.461 -5.399
147 1HG2 ILE 15 HG21 ILE 15 -5.448 -1.301 -8.183
148 2HG2 ILE 15 HG22 ILE 15 -6.464 -2.652 -7.680
149 3HG2 ILE 15 HG23 ILE 15 -5.326 -2.853 -9.013
150 1HD1 ILE 15 HD11 ILE 15 -6.062 -5.726 -6.125
151 2HD1 ILE 15 HD12 ILE 15 -5.102 -5.474 -7.583
152 3HD1 ILE 15 HD13 ILE 15 -6.588 -4.557 -7.336
153 H GLN 16 HN GLN 16 -1.360 -1.713 -7.051
154 HA GLN 16 HA GLN 16 -1.704 0.420 -8.825
155 1HB GLN 16 HB2 GLN 16 -0.203 0.016 -6.607
156 2HB GLN 16 HB1 GLN 16 1.043 -0.065 -7.844
157 1HG GLN 16 HG2 GLN 16 0.492 2.129 -8.630
158 2HG GLN 16 HG1 GLN 16 -0.908 2.207 -7.561
159 1HE2 GLN 16 HE21 GLN 16 -0.041 1.423 -5.192
160 2HE2 GLN 16 HE22 GLN 16 1.238 2.430 -4.612
161 H ASN 17 HN ASN 17 0.582 -2.300 -8.943
162 HA ASN 17 HA ASN 17 1.522 -1.481 -11.564
163 1HB ASN 17 HB2 ASN 17 2.278 -3.675 -9.650
164 2HB ASN 17 HB1 ASN 17 2.861 -3.684 -11.312
165 1HD2 ASN 17 HD21 ASN 17 4.957 -3.238 -11.056
166 2HD2 ASN 17 HD22 ASN 17 5.581 -1.817 -10.297
167 H ASP 18 HN ASP 18 -1.024 -1.836 -11.974
168 HA ASP 18 HA ASP 18 -1.525 -4.591 -12.809
169 1HB ASP 18 HB2 ASP 18 -3.165 -2.398 -11.920
170 2HB ASP 18 HB1 ASP 18 -3.727 -2.961 -13.490
171 H LYS 19 HN LYS 19 0.421 -2.903 -14.212
172 HA LYS 19 HA LYS 19 -0.829 -2.204 -16.725
173 1HB LYS 19 HB2 LYS 19 1.279 -1.146 -15.494
174 2HB LYS 19 HB1 LYS 19 2.133 -2.359 -16.437
175 1HG LYS 19 HG2 LYS 19 1.478 -1.411 -18.470
176 2HG LYS 19 HG1 LYS 19 0.196 -0.463 -17.714
177 1HD LYS 19 HD2 LYS 19 1.805 0.964 -16.644
178 2HD LYS 19 HD1 LYS 19 3.138 -0.056 -17.189
179 1HE LYS 19 HE2 LYS 19 1.258 1.332 -19.085
180 2HE LYS 19 HE1 LYS 19 2.745 2.076 -18.498
181 1HZ LYS 19 HZ1 LYS 19 2.761 -0.580 -19.794
182 2HZ LYS 19 HZ2 LYS 19 4.047 0.498 -19.582
183 3HZ LYS 19 HZ3 LYS 19 2.831 0.844 -20.706
184 1HN NH2 20 NH1 NH2 20 -0.641 -3.277 -18.637
185 2HN NH2 20 NH2 NH2 20 0.003 -4.872 -18.792
Start of MODEL 2
1 1H ALA 1 HT1 ALA 1 -0.282 4.258 15.683
2 2H ALA 1 HT2 ALA 1 0.174 3.572 14.176
3 3H ALA 1 HT3 ALA 1 -0.692 2.633 15.323
4 HA ALA 1 HA ALA 1 -2.295 3.196 13.858
5 1HB ALA 1 HB1 ALA 1 -3.772 4.264 15.189
6 2HB ALA 1 HB2 ALA 1 -2.692 5.628 15.479
7 3HB ALA 1 HB3 ALA 1 -2.473 4.123 16.373
8 H LYS 2 HN LYS 2 0.041 5.756 14.270
9 HA LYS 2 HA LYS 2 -1.096 7.260 12.036
10 1HB LYS 2 HB2 LYS 2 0.746 8.904 12.629
11 2HB LYS 2 HB1 LYS 2 -0.508 8.671 13.839
12 1HG LYS 2 HG2 LYS 2 1.729 6.854 14.195
13 2HG LYS 2 HG1 LYS 2 2.210 8.550 14.257
14 1HD LYS 2 HD2 LYS 2 0.001 7.290 15.883
15 2HD LYS 2 HD1 LYS 2 1.617 7.680 16.476
16 1HE LYS 2 HE2 LYS 2 0.829 10.058 15.398
17 2HE LYS 2 HE1 LYS 2 -0.697 9.420 16.009
18 1HZ LYS 2 HZ1 LYS 2 1.668 9.348 17.747
19 2HZ LYS 2 HZ2 LYS 2 0.033 9.480 18.162
20 3HZ LYS 2 HZ3 LYS 2 0.856 10.818 17.537
21 H LYS 3 HN LYS 3 0.361 4.615 11.833
22 HA LYS 3 HA LYS 3 2.154 5.445 9.666
23 1HB LYS 3 HB2 LYS 3 3.319 4.859 11.980
24 2HB LYS 3 HB1 LYS 3 3.069 3.208 11.429
25 1HG LYS 3 HG2 LYS 3 5.207 3.723 10.692
26 2HG LYS 3 HG1 LYS 3 4.205 3.966 9.260
27 1HD LYS 3 HD2 LYS 3 4.685 6.151 9.170
28 2HD LYS 3 HD1 LYS 3 4.437 6.361 10.905
29 1HE LYS 3 HE2 LYS 3 6.884 4.936 10.000
30 2HE LYS 3 HE1 LYS 3 6.813 6.684 9.778
31 1HZ LYS 3 HZ1 LYS 3 7.705 6.533 11.862
32 2HZ LYS 3 HZ2 LYS 3 6.856 5.127 12.265
33 3HZ LYS 3 HZ3 LYS 3 6.062 6.621 12.258
34 H VAL 4 HN VAL 4 -0.546 3.936 10.245
35 HA VAL 4 HA VAL 4 -0.263 1.316 9.269
36 HB VAL 4 HB VAL 4 -2.380 2.121 10.228
37 1HG1 VAL 4 HG11 VAL 4 -3.741 3.426 8.263
38 2HG1 VAL 4 HG12 VAL 4 -2.123 4.107 8.091
39 3HG1 VAL 4 HG13 VAL 4 -2.962 4.204 9.640
40 1HG2 VAL 4 HG21 VAL 4 -2.506 0.175 8.827
41 2HG2 VAL 4 HG22 VAL 4 -2.575 1.171 7.374
42 3HG2 VAL 4 HG23 VAL 4 -3.919 1.183 8.516
43 H SER 5 HN SER 5 0.153 4.341 7.874
44 HA SER 5 HA SER 5 -0.435 4.287 5.261
45 1HB SER 5 HB2 SER 5 0.840 6.037 6.614
46 2HB SER 5 HB1 SER 5 2.284 5.091 6.269
47 HG SER 5 HG SER 5 2.009 5.487 4.091
48 H LYS 6 HN LYS 6 1.998 2.430 6.862
49 HA LYS 6 HA LYS 6 3.455 1.557 4.624
50 1HB LYS 6 HB2 LYS 6 4.115 1.307 7.060
51 2HB LYS 6 HB1 LYS 6 2.990 -0.042 7.146
52 1HG LYS 6 HG2 LYS 6 5.208 -0.887 6.824
53 2HG LYS 6 HG1 LYS 6 4.270 -1.171 5.356
54 1HD LYS 6 HD2 LYS 6 5.788 1.365 5.487
55 2HD LYS 6 HD1 LYS 6 6.737 -0.116 5.347
56 1HE LYS 6 HE2 LYS 6 4.410 0.100 3.550
57 2HE LYS 6 HE1 LYS 6 5.726 1.231 3.241
58 1HZ LYS 6 HZ1 LYS 6 5.650 -1.226 2.247
59 2HZ LYS 6 HZ2 LYS 6 6.497 -1.537 3.677
60 3HZ LYS 6 HZ3 LYS 6 7.095 -0.408 2.569
61 H ARG 7 HN ARG 7 0.757 0.028 6.379
62 HA ARG 7 HA ARG 7 0.508 -2.173 4.625
63 1HB ARG 7 HB2 ARG 7 -1.033 -1.003 6.824
64 2HB ARG 7 HB1 ARG 7 -2.043 -1.739 5.588
65 1HG ARG 7 HG2 ARG 7 -1.657 -3.439 7.140
66 2HG ARG 7 HG1 ARG 7 -0.551 -3.786 5.811
67 1HD ARG 7 HD2 ARG 7 0.405 -2.107 8.079
68 2HD ARG 7 HD1 ARG 7 0.261 -3.848 8.314
69 HE ARG 7 HE ARG 7 1.699 -3.104 5.935
70 1HH1 ARG 7 HH11 ARG 7 1.951 -3.749 9.357
71 2HH1 ARG 7 HH12 ARG 7 3.634 -4.149 9.284
72 1HH2 ARG 7 HH21 ARG 7 3.912 -3.632 5.838
73 2HH2 ARG 7 HH22 ARG 7 4.748 -4.082 7.287
74 H LEU 8 HN LEU 8 -0.837 1.068 4.667
75 HA LEU 8 HA LEU 8 -2.657 0.738 2.527
76 1HB LEU 8 HB2 LEU 8 -1.413 3.036 3.945
77 2HB LEU 8 HB1 LEU 8 -2.081 3.348 2.354
78 HG LEU 8 HG LEU 8 -4.187 2.103 3.385
79 1HD1 LEU 8 HD11 LEU 8 -3.453 3.532 5.849
80 2HD1 LEU 8 HD12 LEU 8 -2.608 2.010 5.567
81 3HD1 LEU 8 HD13 LEU 8 -4.370 2.043 5.626
82 1HD2 LEU 8 HD21 LEU 8 -5.152 4.239 3.807
83 2HD2 LEU 8 HD22 LEU 8 -4.008 4.433 2.479
84 3HD2 LEU 8 HD23 LEU 8 -3.571 4.961 4.104
85 H GLU 9 HN GLU 9 0.717 1.826 2.723
86 HA GLU 9 HA GLU 9 1.037 2.414 -0.015
87 1HB GLU 9 HB2 GLU 9 2.595 2.991 1.942
88 2HB GLU 9 HB1 GLU 9 3.230 1.361 1.767
89 1HG GLU 9 HG2 GLU 9 3.898 1.845 -0.517
90 2HG GLU 9 HG1 GLU 9 3.218 3.466 -0.385
91 H LYS 10 HN LYS 10 1.041 -0.571 1.778
92 HA LYS 10 HA LYS 10 2.317 -2.167 -0.208
93 1HB LYS 10 HB2 LYS 10 2.084 -2.794 2.209
94 2HB LYS 10 HB1 LYS 10 0.369 -3.062 1.925
95 1HG LYS 10 HG2 LYS 10 0.740 -5.094 1.120
96 2HG LYS 10 HG1 LYS 10 1.971 -4.499 0.004
97 1HD LYS 10 HD2 LYS 10 2.701 -4.700 2.874
98 2HD LYS 10 HD1 LYS 10 2.531 -6.206 1.969
99 1HE LYS 10 HE2 LYS 10 4.315 -3.880 1.259
100 2HE LYS 10 HE1 LYS 10 4.835 -5.431 1.916
101 1HZ LYS 10 HZ1 LYS 10 3.562 -6.306 -0.193
102 2HZ LYS 10 HZ2 LYS 10 5.173 -5.800 -0.286
103 3HZ LYS 10 HZ3 LYS 10 3.932 -4.765 -0.785
104 H LEU 11 HN LEU 11 -1.009 -1.280 0.507
105 HA LEU 11 HA LEU 11 -2.209 -3.031 -1.385
106 1HB LEU 11 HB2 LEU 11 -3.315 -0.455 -0.267
107 2HB LEU 11 HB1 LEU 11 -4.233 -1.754 -1.007
108 HG LEU 11 HG LEU 11 -2.604 -2.314 1.439
109 1HD1 LEU 11 HD11 LEU 11 -5.431 -1.560 1.830
110 2HD1 LEU 11 HD12 LEU 11 -4.297 -0.241 1.539
111 3HD1 LEU 11 HD13 LEU 11 -4.038 -1.345 2.890
112 1HD2 LEU 11 HD21 LEU 11 -3.933 -3.982 -0.103
113 2HD2 LEU 11 HD22 LEU 11 -5.305 -3.413 0.847
114 3HD2 LEU 11 HD23 LEU 11 -3.929 -4.168 1.650
115 H PHE 12 HN PHE 12 -1.063 0.304 -1.492
116 HA PHE 12 HA PHE 12 -2.160 1.034 -3.965
117 1HB PHE 12 HB2 PHE 12 -0.462 2.208 -2.066
118 2HB PHE 12 HB1 PHE 12 0.464 2.200 -3.563
119 HD1 PHE 12 HD1 PHE 12 0.359 4.172 -4.711
120 HD2 PHE 12 HD2 PHE 12 -3.096 2.831 -2.619
121 HE1 PHE 12 HE1 PHE 12 -0.874 6.157 -5.482
122 HE2 PHE 12 HE2 PHE 12 -4.336 4.812 -3.387
123 HZ PHE 12 HZ PHE 12 -3.224 6.479 -4.820
124 H SER 13 HN SER 13 0.869 -0.595 -3.156
125 HA SER 13 HA SER 13 1.990 -0.608 -5.729
126 1HB SER 13 HB2 SER 13 2.850 -1.432 -3.292
127 2HB SER 13 HB1 SER 13 2.493 -2.988 -4.042
128 HG SER 13 HG SER 13 4.646 -1.584 -4.369
129 H LYS 14 HN LYS 14 -0.412 -2.637 -4.206
130 HA LYS 14 HA LYS 14 -0.392 -4.730 -6.114
131 1HB LYS 14 HB2 LYS 14 -1.469 -4.622 -3.742
132 2HB LYS 14 HB1 LYS 14 -2.852 -3.940 -4.588
133 1HG LYS 14 HG2 LYS 14 -3.470 -6.100 -4.705
134 2HG LYS 14 HG1 LYS 14 -2.416 -6.093 -6.121
135 1HD LYS 14 HD2 LYS 14 -1.564 -7.911 -5.036
136 2HD LYS 14 HD1 LYS 14 -0.579 -6.650 -4.291
137 1HE LYS 14 HE2 LYS 14 -1.386 -8.078 -2.554
138 2HE LYS 14 HE1 LYS 14 -2.246 -6.543 -2.440
139 1HZ LYS 14 HZ1 LYS 14 -3.382 -8.840 -3.911
140 2HZ LYS 14 HZ2 LYS 14 -4.182 -7.483 -3.295
141 3HZ LYS 14 HZ3 LYS 14 -3.598 -8.670 -2.242
142 H ILE 15 HN ILE 15 -1.927 -1.597 -5.976
143 HA ILE 15 HA ILE 15 -3.789 -2.064 -8.090
144 HB ILE 15 HB ILE 15 -2.721 0.604 -7.170
145 1HG1 ILE 15 HG12 ILE 15 -5.080 -0.968 -6.108
146 2HG1 ILE 15 HG11 ILE 15 -3.562 -0.703 -5.256
147 1HG2 ILE 15 HG21 ILE 15 -5.301 1.008 -7.836
148 2HG2 ILE 15 HG22 ILE 15 -4.883 -0.284 -8.960
149 3HG2 ILE 15 HG23 ILE 15 -3.954 1.215 -8.955
150 1HD1 ILE 15 HD11 ILE 15 -5.708 1.275 -5.917
151 2HD1 ILE 15 HD12 ILE 15 -4.076 1.782 -5.480
152 3HD1 ILE 15 HD13 ILE 15 -5.043 0.844 -4.341
153 H GLN 16 HN GLN 16 -0.452 -1.088 -7.916
154 HA GLN 16 HA GLN 16 -0.431 -0.342 -10.745
155 1HB GLN 16 HB2 GLN 16 0.873 0.727 -8.589
156 2HB GLN 16 HB1 GLN 16 2.117 -0.309 -9.277
157 1HG GLN 16 HG2 GLN 16 1.599 0.818 -11.498
158 2HG GLN 16 HG1 GLN 16 0.699 2.004 -10.554
159 1HE2 GLN 16 HE21 GLN 16 3.133 2.264 -12.190
160 2HE2 GLN 16 HE22 GLN 16 4.326 2.943 -11.142
161 H ASN 17 HN ASN 17 -0.878 -3.094 -9.972
162 HA ASN 17 HA ASN 17 1.586 -4.513 -10.472
163 1HB ASN 17 HB2 ASN 17 -0.671 -5.183 -9.128
164 2HB ASN 17 HB1 ASN 17 -0.981 -5.967 -10.674
165 1HD2 ASN 17 HD21 ASN 17 -0.861 -7.958 -9.517
166 2HD2 ASN 17 HD22 ASN 17 0.675 -8.658 -9.148
167 H ASP 18 HN ASP 18 0.923 -6.561 -12.104
168 HA ASP 18 HA ASP 18 0.718 -5.219 -14.691
169 1HB ASP 18 HB2 ASP 18 2.610 -6.835 -14.074
170 2HB ASP 18 HB1 ASP 18 1.415 -8.117 -14.240
171 H LYS 19 HN LYS 19 -1.694 -5.357 -13.367
172 HA LYS 19 HA LYS 19 -3.164 -7.651 -14.365
173 1HB LYS 19 HB2 LYS 19 -3.958 -5.237 -12.741
174 2HB LYS 19 HB1 LYS 19 -5.128 -6.415 -13.318
175 1HG LYS 19 HG2 LYS 19 -4.423 -8.035 -11.875
176 2HG LYS 19 HG1 LYS 19 -2.777 -7.405 -11.799
177 1HD LYS 19 HD2 LYS 19 -3.257 -6.000 -10.100
178 2HD LYS 19 HD1 LYS 19 -4.859 -5.618 -10.735
179 1HE LYS 19 HE2 LYS 19 -5.495 -6.797 -8.901
180 2HE LYS 19 HE1 LYS 19 -5.307 -8.142 -10.025
181 1HZ LYS 19 HZ1 LYS 19 -3.276 -8.735 -9.090
182 2HZ LYS 19 HZ2 LYS 19 -4.222 -8.339 -7.746
183 3HZ LYS 19 HZ3 LYS 19 -3.068 -7.243 -8.319
184 1HN NH2 20 NH1 NH2 20 -5.007 -7.455 -15.734
185 2HN NH2 20 NH2 NH2 20 -5.099 -6.203 -16.920
Start of MODEL 3
1 1H ALA 1 HT1 ALA 1 1.605 9.479 12.734
2 2H ALA 1 HT2 ALA 1 2.112 7.987 12.055
3 3H ALA 1 HT3 ALA 1 2.595 8.417 13.645
4 HA ALA 1 HA ALA 1 0.941 6.946 14.021
5 1HB ALA 1 HB1 ALA 1 0.470 8.808 15.368
6 2HB ALA 1 HB2 ALA 1 -1.077 8.376 14.638
7 3HB ALA 1 HB3 ALA 1 -0.156 9.741 14.008
8 H LYS 2 HN LYS 2 0.065 9.091 11.356
9 HA LYS 2 HA LYS 2 -2.039 7.235 10.525
10 1HB LYS 2 HB2 LYS 2 -2.695 8.992 8.943
11 2HB LYS 2 HB1 LYS 2 -2.627 9.605 10.590
12 1HG LYS 2 HG2 LYS 2 -1.363 11.256 9.831
13 2HG LYS 2 HG1 LYS 2 -0.086 10.069 9.561
14 1HD LYS 2 HD2 LYS 2 -1.661 9.729 7.351
15 2HD LYS 2 HD1 LYS 2 -1.800 11.465 7.639
16 1HE LYS 2 HE2 LYS 2 0.882 10.140 7.681
17 2HE LYS 2 HE1 LYS 2 0.123 10.554 6.144
18 1HZ LYS 2 HZ1 LYS 2 0.414 12.749 6.488
19 2HZ LYS 2 HZ2 LYS 2 1.672 12.225 7.490
20 3HZ LYS 2 HZ3 LYS 2 0.178 12.650 8.161
21 H LYS 3 HN LYS 3 0.607 6.311 10.300
22 HA LYS 3 HA LYS 3 1.150 6.456 7.406
23 1HB LYS 3 HB2 LYS 3 2.884 6.734 9.493
24 2HB LYS 3 HB1 LYS 3 3.053 5.017 9.151
25 1HG LYS 3 HG2 LYS 3 3.107 6.659 6.749
26 2HG LYS 3 HG1 LYS 3 4.389 7.061 7.894
27 1HD LYS 3 HD2 LYS 3 4.541 4.377 7.956
28 2HD LYS 3 HD1 LYS 3 3.955 4.606 6.307
29 1HE LYS 3 HE2 LYS 3 6.212 4.720 5.952
30 2HE LYS 3 HE1 LYS 3 5.855 6.423 6.237
31 1HZ LYS 3 HZ1 LYS 3 6.924 6.412 8.211
32 2HZ LYS 3 HZ2 LYS 3 7.778 5.135 7.502
33 3HZ LYS 3 HZ3 LYS 3 6.510 4.812 8.574
34 H VAL 4 HN VAL 4 -0.911 4.755 8.966
35 HA VAL 4 HA VAL 4 -0.192 2.052 8.755
36 HB VAL 4 HB VAL 4 -2.937 3.172 8.164
37 1HG1 VAL 4 HG11 VAL 4 -3.053 0.931 7.639
38 2HG1 VAL 4 HG12 VAL 4 -3.510 0.917 9.342
39 3HG1 VAL 4 HG13 VAL 4 -1.871 0.473 8.865
40 1HG2 VAL 4 HG21 VAL 4 -3.104 2.423 10.741
41 2HG2 VAL 4 HG22 VAL 4 -2.737 4.070 10.229
42 3HG2 VAL 4 HG23 VAL 4 -1.432 2.980 10.695
43 H SER 5 HN SER 5 -0.713 4.469 6.474
44 HA SER 5 HA SER 5 -1.603 3.393 4.175
45 1HB SER 5 HB2 SER 5 -0.687 5.737 4.663
46 2HB SER 5 HB1 SER 5 0.898 5.064 4.297
47 HG SER 5 HG SER 5 0.231 4.646 2.215
48 H LYS 6 HN LYS 6 1.406 2.775 5.746
49 HA LYS 6 HA LYS 6 2.816 1.549 3.661
50 1HB LYS 6 HB2 LYS 6 3.763 2.232 5.889
51 2HB LYS 6 HB1 LYS 6 2.980 0.824 6.592
52 1HG LYS 6 HG2 LYS 6 4.317 -0.396 4.641
53 2HG LYS 6 HG1 LYS 6 5.370 1.002 4.861
54 1HD LYS 6 HD2 LYS 6 4.457 -0.451 7.288
55 2HD LYS 6 HD1 LYS 6 5.676 -1.223 6.272
56 1HE LYS 6 HE2 LYS 6 6.955 0.966 6.401
57 2HE LYS 6 HE1 LYS 6 5.831 1.431 7.678
58 1HZ LYS 6 HZ1 LYS 6 7.105 -1.168 7.966
59 2HZ LYS 6 HZ2 LYS 6 6.758 0.004 9.135
60 3HZ LYS 6 HZ3 LYS 6 8.116 0.178 8.142
61 H ARG 7 HN ARG 7 0.634 0.188 6.113
62 HA ARG 7 HA ARG 7 0.857 -2.496 5.288
63 1HB ARG 7 HB2 ARG 7 -0.700 -1.005 7.163
64 2HB ARG 7 HB1 ARG 7 -1.792 -2.010 6.221
65 1HG ARG 7 HG2 ARG 7 0.476 -3.567 6.970
66 2HG ARG 7 HG1 ARG 7 -0.164 -2.755 8.399
67 1HD ARG 7 HD2 ARG 7 -2.270 -3.854 6.733
68 2HD ARG 7 HD1 ARG 7 -1.123 -5.089 7.247
69 HE ARG 7 HE ARG 7 -1.849 -3.485 9.449
70 1HH1 ARG 7 HH11 ARG 7 -3.148 -5.950 7.347
71 2HH1 ARG 7 HH12 ARG 7 -4.244 -6.564 8.538
72 1HH2 ARG 7 HH21 ARG 7 -3.290 -4.292 11.017
73 2HH2 ARG 7 HH22 ARG 7 -4.326 -5.623 10.621
74 H LEU 8 HN LEU 8 -1.356 0.102 4.357
75 HA LEU 8 HA LEU 8 -2.905 -1.439 2.559
76 1HB LEU 8 HB2 LEU 8 -2.358 1.534 2.619
77 2HB LEU 8 HB1 LEU 8 -3.569 0.766 1.610
78 HG LEU 8 HG LEU 8 -3.621 0.507 4.605
79 1HD1 LEU 8 HD11 LEU 8 -5.245 2.354 4.621
80 2HD1 LEU 8 HD12 LEU 8 -4.896 2.655 2.918
81 3HD1 LEU 8 HD13 LEU 8 -3.635 2.879 4.130
82 1HD2 LEU 8 HD21 LEU 8 -6.013 0.095 4.184
83 2HD2 LEU 8 HD22 LEU 8 -4.973 -1.081 3.380
84 3HD2 LEU 8 HD23 LEU 8 -5.711 0.223 2.451
85 H GLU 9 HN GLU 9 -0.006 0.555 2.204
86 HA GLU 9 HA GLU 9 0.211 0.323 -0.602
87 1HB GLU 9 HB2 GLU 9 1.972 1.158 1.627
88 2HB GLU 9 HB1 GLU 9 2.793 0.611 0.171
89 1HG GLU 9 HG2 GLU 9 0.590 2.548 -0.185
90 2HG GLU 9 HG1 GLU 9 2.068 3.141 0.572
91 H LYS 10 HN LYS 10 1.004 -1.798 2.040
92 HA LYS 10 HA LYS 10 2.782 -3.499 0.605
93 1HB LYS 10 HB2 LYS 10 1.360 -3.574 3.206
94 2HB LYS 10 HB1 LYS 10 1.815 -5.129 2.524
95 1HG LYS 10 HG2 LYS 10 4.077 -4.680 2.669
96 2HG LYS 10 HG1 LYS 10 3.830 -2.934 2.723
97 1HD LYS 10 HD2 LYS 10 4.291 -3.294 4.924
98 2HD LYS 10 HD1 LYS 10 2.549 -3.573 4.961
99 1HE LYS 10 HE2 LYS 10 3.048 -5.536 5.904
100 2HE LYS 10 HE1 LYS 10 3.540 -6.042 4.288
101 1HZ LYS 10 HZ1 LYS 10 5.270 -5.005 6.461
102 2HZ LYS 10 HZ2 LYS 10 5.801 -5.182 4.864
103 3HZ LYS 10 HZ3 LYS 10 5.312 -6.539 5.747
104 H LEU 11 HN LEU 11 -0.689 -3.575 1.306
105 HA LEU 11 HA LEU 11 -1.165 -6.048 -0.021
106 1HB LEU 11 HB2 LEU 11 -2.618 -4.345 1.615
107 2HB LEU 11 HB1 LEU 11 -3.444 -4.235 0.072
108 HG LEU 11 HG LEU 11 -2.847 -6.990 0.829
109 1HD1 LEU 11 HD11 LEU 11 -3.929 -7.209 2.798
110 2HD1 LEU 11 HD12 LEU 11 -5.034 -5.875 2.467
111 3HD1 LEU 11 HD13 LEU 11 -3.392 -5.544 3.016
112 1HD2 LEU 11 HD21 LEU 11 -5.487 -6.900 0.519
113 2HD2 LEU 11 HD22 LEU 11 -4.375 -6.899 -0.850
114 3HD2 LEU 11 HD23 LEU 11 -5.076 -5.384 -0.282
115 H PHE 12 HN PHE 12 -1.092 -2.697 -1.018
116 HA PHE 12 HA PHE 12 -2.430 -2.960 -3.481
117 1HB PHE 12 HB2 PHE 12 -1.702 -0.825 -2.200
118 2HB PHE 12 HB1 PHE 12 -0.173 -1.021 -3.050
119 HD1 PHE 12 HD1 PHE 12 -0.102 -0.876 -5.513
120 HD2 PHE 12 HD2 PHE 12 -3.641 -0.024 -3.308
121 HE1 PHE 12 HE1 PHE 12 -1.042 0.278 -7.473
122 HE2 PHE 12 HE2 PHE 12 -4.587 1.130 -5.263
123 HZ PHE 12 HZ PHE 12 -3.287 1.282 -7.350
124 H SER 13 HN SER 13 0.848 -3.654 -2.501
125 HA SER 13 HA SER 13 2.103 -3.729 -4.993
126 1HB SER 13 HB2 SER 13 2.615 -4.932 -2.326
127 2HB SER 13 HB1 SER 13 3.450 -5.663 -3.696
128 HG SER 13 HG SER 13 4.295 -3.638 -2.439
129 H LYS 14 HN LYS 14 0.081 -6.093 -3.366
130 HA LYS 14 HA LYS 14 0.621 -8.282 -5.063
131 1HB LYS 14 HB2 LYS 14 -0.888 -7.867 -2.787
132 2HB LYS 14 HB1 LYS 14 -2.108 -8.188 -4.012
133 1HG LYS 14 HG2 LYS 14 0.256 -9.993 -3.768
134 2HG LYS 14 HG1 LYS 14 -1.093 -10.143 -2.639
135 1HD LYS 14 HD2 LYS 14 -2.496 -10.962 -4.218
136 2HD LYS 14 HD1 LYS 14 -1.806 -9.964 -5.499
137 1HE LYS 14 HE2 LYS 14 -0.515 -11.636 -6.197
138 2HE LYS 14 HE1 LYS 14 0.116 -11.899 -4.572
139 1HZ LYS 14 HZ1 LYS 14 -2.581 -12.863 -5.066
140 2HZ LYS 14 HZ2 LYS 14 -1.321 -13.572 -4.190
141 3HZ LYS 14 HZ3 LYS 14 -1.345 -13.686 -5.877
142 H ILE 15 HN ILE 15 -1.503 -5.527 -5.338
143 HA ILE 15 HA ILE 15 -3.030 -6.582 -7.529
144 HB ILE 15 HB ILE 15 -2.765 -3.685 -6.732
145 1HG1 ILE 15 HG12 ILE 15 -4.775 -5.709 -5.722
146 2HG1 ILE 15 HG11 ILE 15 -3.388 -5.139 -4.800
147 1HG2 ILE 15 HG21 ILE 15 -5.261 -4.863 -7.812
148 2HG2 ILE 15 HG22 ILE 15 -3.917 -4.634 -8.931
149 3HG2 ILE 15 HG23 ILE 15 -4.570 -3.257 -8.044
150 1HD1 ILE 15 HD11 ILE 15 -4.394 -3.222 -4.250
151 2HD1 ILE 15 HD12 ILE 15 -5.875 -4.077 -4.682
152 3HD1 ILE 15 HD13 ILE 15 -5.098 -3.012 -5.853
153 H GLN 16 HN GLN 16 -0.300 -4.359 -7.173
154 HA GLN 16 HA GLN 16 1.207 -3.534 -8.662
155 1HB GLN 16 HB2 GLN 16 1.066 -6.171 -9.180
156 2HB GLN 16 HB1 GLN 16 0.544 -5.546 -10.738
157 1HG GLN 16 HG2 GLN 16 2.579 -4.326 -11.007
158 2HG GLN 16 HG1 GLN 16 3.082 -4.707 -9.361
159 1HE2 GLN 16 HE21 GLN 16 4.880 -5.862 -9.708
160 2HE2 GLN 16 HE22 GLN 16 4.952 -7.327 -10.620
161 H ASN 17 HN ASN 17 -1.120 -2.181 -8.701
162 HA ASN 17 HA ASN 17 -2.462 -1.986 -11.149
163 1HB ASN 17 HB2 ASN 17 -2.739 -0.808 -8.707
164 2HB ASN 17 HB1 ASN 17 -2.127 0.539 -9.663
165 1HD2 ASN 17 HD21 ASN 17 -3.752 1.773 -10.244
166 2HD2 ASN 17 HD22 ASN 17 -5.276 1.234 -10.852
167 H ASP 18 HN ASP 18 -2.230 -0.611 -12.914
168 HA ASP 18 HA ASP 18 0.515 0.268 -13.392
169 1HB ASP 18 HB2 ASP 18 -1.010 -1.178 -14.993
170 2HB ASP 18 HB1 ASP 18 -1.615 0.400 -15.486
171 H LYS 19 HN LYS 19 -0.750 1.882 -11.591
172 HA LYS 19 HA LYS 19 -1.882 4.167 -12.965
173 1HB LYS 19 HB2 LYS 19 -2.373 3.190 -10.534
174 2HB LYS 19 HB1 LYS 19 -1.087 4.307 -10.099
175 1HG LYS 19 HG2 LYS 19 -2.443 6.056 -10.243
176 2HG LYS 19 HG1 LYS 19 -3.022 5.564 -11.836
177 1HD LYS 19 HD2 LYS 19 -4.984 5.288 -10.759
178 2HD LYS 19 HD1 LYS 19 -4.274 3.750 -10.267
179 1HE LYS 19 HE2 LYS 19 -3.835 4.480 -8.134
180 2HE LYS 19 HE1 LYS 19 -3.736 6.172 -8.619
181 1HZ LYS 19 HZ1 LYS 19 -6.059 4.585 -7.879
182 2HZ LYS 19 HZ2 LYS 19 -6.283 5.683 -9.146
183 3HZ LYS 19 HZ3 LYS 19 -5.749 6.231 -7.638
184 1HN NH2 20 NH1 NH2 20 0.884 3.710 -10.777
185 2HN NH2 20 NH2 NH2 20 1.867 4.947 -11.476
Start of MODEL 4
1 1H ALA 1 HT1 ALA 1 0.966 8.697 15.603
2 2H ALA 1 HT2 ALA 1 1.585 7.618 14.420
3 3H ALA 1 HT3 ALA 1 1.033 7.015 15.929
4 HA ALA 1 HA ALA 1 -1.169 7.588 15.446
5 1HB ALA 1 HB1 ALA 1 -0.328 8.572 12.742
6 2HB ALA 1 HB2 ALA 1 -0.413 9.656 14.130
7 3HB ALA 1 HB3 ALA 1 -1.860 8.809 13.582
8 H LYS 2 HN LYS 2 -2.332 6.828 13.099
9 HA LYS 2 HA LYS 2 -1.298 4.104 12.792
10 1HB LYS 2 HB2 LYS 2 -3.808 4.920 13.380
11 2HB LYS 2 HB1 LYS 2 -3.922 4.822 11.628
12 1HG LYS 2 HG2 LYS 2 -4.044 2.608 11.680
13 2HG LYS 2 HG1 LYS 2 -2.618 2.488 12.712
14 1HD LYS 2 HD2 LYS 2 -5.330 3.234 13.781
15 2HD LYS 2 HD1 LYS 2 -4.791 1.559 13.650
16 1HE LYS 2 HE2 LYS 2 -2.684 2.903 14.888
17 2HE LYS 2 HE1 LYS 2 -4.142 3.557 15.634
18 1HZ LYS 2 HZ1 LYS 2 -4.698 0.954 15.647
19 2HZ LYS 2 HZ2 LYS 2 -3.933 1.749 16.929
20 3HZ LYS 2 HZ3 LYS 2 -3.014 0.890 15.799
21 H LYS 3 HN LYS 3 0.290 5.669 11.430
22 HA LYS 3 HA LYS 3 -0.668 6.058 8.709
23 1HB LYS 3 HB2 LYS 3 1.565 6.990 8.288
24 2HB LYS 3 HB1 LYS 3 0.813 7.738 9.691
25 1HG LYS 3 HG2 LYS 3 2.232 5.651 10.786
26 2HG LYS 3 HG1 LYS 3 3.278 6.212 9.481
27 1HD LYS 3 HD2 LYS 3 2.975 8.542 10.378
28 2HD LYS 3 HD1 LYS 3 2.168 7.823 11.774
29 1HE LYS 3 HE2 LYS 3 4.788 6.671 11.065
30 2HE LYS 3 HE1 LYS 3 4.816 8.331 11.657
31 1HZ LYS 3 HZ1 LYS 3 4.912 6.282 13.281
32 2HZ LYS 3 HZ2 LYS 3 3.229 6.381 13.150
33 3HZ LYS 3 HZ3 LYS 3 4.112 7.710 13.710
34 H VAL 4 HN VAL 4 -0.036 3.318 10.167
35 HA VAL 4 HA VAL 4 1.991 2.040 8.717
36 HB VAL 4 HB VAL 4 -0.625 0.783 9.573
37 1HG1 VAL 4 HG11 VAL 4 0.717 -1.280 9.707
38 2HG1 VAL 4 HG12 VAL 4 2.103 -0.399 9.064
39 3HG1 VAL 4 HG13 VAL 4 0.659 -0.618 8.074
40 1HG2 VAL 4 HG21 VAL 4 1.857 1.423 11.128
41 2HG2 VAL 4 HG22 VAL 4 0.803 0.089 11.596
42 3HG2 VAL 4 HG23 VAL 4 0.173 1.736 11.547
43 H SER 5 HN SER 5 -0.989 3.311 7.817
44 HA SER 5 HA SER 5 -1.999 1.954 5.733
45 1HB SER 5 HB2 SER 5 -2.662 4.233 6.693
46 2HB SER 5 HB1 SER 5 -1.465 4.913 5.595
47 HG SER 5 HG SER 5 -3.547 3.211 4.704
48 H LYS 6 HN LYS 6 0.983 3.692 5.832
49 HA LYS 6 HA LYS 6 1.554 3.871 3.101
50 1HB LYS 6 HB2 LYS 6 2.814 4.945 5.049
51 2HB LYS 6 HB1 LYS 6 3.634 3.401 5.235
52 1HG LYS 6 HG2 LYS 6 4.649 3.578 3.105
53 2HG LYS 6 HG1 LYS 6 3.623 4.942 2.655
54 1HD LYS 6 HD2 LYS 6 4.861 6.436 3.836
55 2HD LYS 6 HD1 LYS 6 5.277 5.264 5.089
56 1HE LYS 6 HE2 LYS 6 7.137 4.574 4.011
57 2HE LYS 6 HE1 LYS 6 6.399 4.732 2.418
58 1HZ LYS 6 HZ1 LYS 6 7.173 7.100 4.009
59 2HZ LYS 6 HZ2 LYS 6 6.872 7.002 2.348
60 3HZ LYS 6 HZ3 LYS 6 8.276 6.315 2.994
61 H ARG 7 HN ARG 7 2.386 1.340 5.466
62 HA ARG 7 HA ARG 7 3.682 -0.349 3.604
63 1HB ARG 7 HB2 ARG 7 2.265 -1.031 6.190
64 2HB ARG 7 HB1 ARG 7 3.281 -2.143 5.282
65 1HG ARG 7 HG2 ARG 7 5.011 -0.130 5.560
66 2HG ARG 7 HG1 ARG 7 4.026 0.142 6.999
67 1HD ARG 7 HD2 ARG 7 4.350 -2.346 7.474
68 2HD ARG 7 HD1 ARG 7 5.618 -2.294 6.251
69 HE ARG 7 HE ARG 7 5.783 -1.332 8.924
70 1HH1 ARG 7 HH11 ARG 7 6.907 -0.732 5.676
71 2HH1 ARG 7 HH12 ARG 7 8.363 0.053 6.190
72 1HH2 ARG 7 HH21 ARG 7 7.697 -0.300 9.603
73 2HH2 ARG 7 HH22 ARG 7 8.812 0.297 8.420
74 H LEU 8 HN LEU 8 0.347 0.010 4.641
75 HA LEU 8 HA LEU 8 -0.700 -2.238 3.280
76 1HB LEU 8 HB2 LEU 8 -1.807 0.257 4.467
77 2HB LEU 8 HB1 LEU 8 -2.809 -0.589 3.304
78 HG LEU 8 HG LEU 8 -3.262 -1.162 5.694
79 1HD1 LEU 8 HD11 LEU 8 -2.291 -3.592 4.240
80 2HD1 LEU 8 HD12 LEU 8 -3.659 -2.657 3.638
81 3HD1 LEU 8 HD13 LEU 8 -3.730 -3.391 5.240
82 1HD2 LEU 8 HD21 LEU 8 -0.955 -1.093 6.501
83 2HD2 LEU 8 HD22 LEU 8 -0.566 -2.501 5.514
84 3HD2 LEU 8 HD23 LEU 8 -1.711 -2.648 6.847
85 H GLU 9 HN GLU 9 -0.261 1.164 2.416
86 HA GLU 9 HA GLU 9 -1.474 1.094 -0.106
87 1HB GLU 9 HB2 GLU 9 0.153 2.916 1.403
88 2HB GLU 9 HB1 GLU 9 0.743 2.854 -0.252
89 1HG GLU 9 HG2 GLU 9 -1.805 3.117 -0.826
90 2HG GLU 9 HG1 GLU 9 -1.871 3.797 0.800
91 H LYS 10 HN LYS 10 1.611 -0.083 1.007
92 HA LYS 10 HA LYS 10 2.864 -0.284 -1.538
93 1HB LYS 10 HB2 LYS 10 4.091 -0.335 0.624
94 2HB LYS 10 HB1 LYS 10 3.387 -1.912 0.957
95 1HG LYS 10 HG2 LYS 10 4.545 -2.131 -1.578
96 2HG LYS 10 HG1 LYS 10 5.706 -1.235 -0.597
97 1HD LYS 10 HD2 LYS 10 6.350 -3.351 -0.056
98 2HD LYS 10 HD1 LYS 10 5.091 -3.134 1.161
99 1HE LYS 10 HE2 LYS 10 3.647 -4.052 -0.953
100 2HE LYS 10 HE1 LYS 10 5.175 -4.901 -1.182
101 1HZ LYS 10 HZ1 LYS 10 3.806 -4.865 1.438
102 2HZ LYS 10 HZ2 LYS 10 4.986 -5.941 0.880
103 3HZ LYS 10 HZ3 LYS 10 3.416 -6.010 0.255
104 H LEU 11 HN LEU 11 1.052 -2.571 0.481
105 HA LEU 11 HA LEU 11 1.252 -4.734 -1.358
106 1HB LEU 11 HB2 LEU 11 0.387 -4.406 1.257
107 2HB LEU 11 HB1 LEU 11 -1.081 -4.807 0.387
108 HG LEU 11 HG LEU 11 1.183 -6.550 -0.272
109 1HD1 LEU 11 HD11 LEU 11 1.237 -5.887 2.313
110 2HD1 LEU 11 HD12 LEU 11 1.616 -7.509 1.732
111 3HD1 LEU 11 HD13 LEU 11 0.012 -7.155 2.375
112 1HD2 LEU 11 HD21 LEU 11 -0.448 -8.177 -0.380
113 2HD2 LEU 11 HD22 LEU 11 -1.364 -6.725 -0.782
114 3HD2 LEU 11 HD23 LEU 11 -1.454 -7.402 0.844
115 H PHE 12 HN PHE 12 -0.957 -2.067 -0.941
116 HA PHE 12 HA PHE 12 -3.039 -3.108 -2.588
117 1HB PHE 12 HB2 PHE 12 -2.752 -0.935 -0.881
118 2HB PHE 12 HB1 PHE 12 -2.913 -0.199 -2.472
119 HD1 PHE 12 HD1 PHE 12 -4.473 -3.237 -0.981
120 HD2 PHE 12 HD2 PHE 12 -5.049 0.631 -2.658
121 HE1 PHE 12 HE1 PHE 12 -6.910 -3.560 -0.878
122 HE2 PHE 12 HE2 PHE 12 -7.487 0.316 -2.557
123 HZ PHE 12 HZ PHE 12 -8.420 -1.781 -1.665
124 H SER 13 HN SER 13 -0.026 -1.565 -3.220
125 HA SER 13 HA SER 13 -0.500 -0.298 -5.647
126 1HB SER 13 HB2 SER 13 1.693 -0.649 -4.110
127 2HB SER 13 HB1 SER 13 2.055 -1.782 -5.412
128 HG SER 13 HG SER 13 1.442 0.976 -5.687
129 H LYS 14 HN LYS 14 -0.214 -3.684 -4.896
130 HA LYS 14 HA LYS 14 0.293 -4.661 -7.492
131 1HB LYS 14 HB2 LYS 14 0.316 -5.847 -5.141
132 2HB LYS 14 HB1 LYS 14 -1.355 -6.220 -5.542
133 1HG LYS 14 HG2 LYS 14 -0.676 -7.396 -7.522
134 2HG LYS 14 HG1 LYS 14 1.002 -6.906 -7.283
135 1HD LYS 14 HD2 LYS 14 -0.540 -8.543 -5.279
136 2HD LYS 14 HD1 LYS 14 0.433 -9.259 -6.566
137 1HE LYS 14 HE2 LYS 14 1.779 -7.196 -4.953
138 2HE LYS 14 HE1 LYS 14 1.365 -8.679 -4.093
139 1HZ LYS 14 HZ1 LYS 14 2.508 -9.919 -5.883
140 2HZ LYS 14 HZ2 LYS 14 3.542 -8.903 -5.010
141 3HZ LYS 14 HZ3 LYS 14 3.013 -8.448 -6.551
142 H ILE 15 HN ILE 15 -2.699 -3.937 -5.762
143 HA ILE 15 HA ILE 15 -4.446 -4.976 -7.748
144 HB ILE 15 HB ILE 15 -5.071 -2.837 -5.715
145 1HG1 ILE 15 HG12 ILE 15 -3.999 -4.986 -4.817
146 2HG1 ILE 15 HG11 ILE 15 -5.541 -4.510 -4.120
147 1HG2 ILE 15 HG21 ILE 15 -6.923 -2.886 -7.051
148 2HG2 ILE 15 HG22 ILE 15 -7.337 -4.166 -5.911
149 3HG2 ILE 15 HG23 ILE 15 -6.693 -4.575 -7.501
150 1HD1 ILE 15 HD11 ILE 15 -6.583 -6.343 -4.877
151 2HD1 ILE 15 HD12 ILE 15 -4.948 -6.993 -4.996
152 3HD1 ILE 15 HD13 ILE 15 -5.733 -6.315 -6.422
153 H GLN 16 HN GLN 16 -2.989 -1.830 -7.170
154 HA GLN 16 HA GLN 16 -4.563 -0.420 -9.080
155 1HB GLN 16 HB2 GLN 16 -2.515 0.195 -7.184
156 2HB GLN 16 HB1 GLN 16 -2.047 0.865 -8.741
157 1HG GLN 16 HG2 GLN 16 -3.238 2.586 -7.778
158 2HG GLN 16 HG1 GLN 16 -4.443 1.809 -8.805
159 1HE2 GLN 16 HE21 GLN 16 -3.843 3.014 -5.787
160 2HE2 GLN 16 HE22 GLN 16 -5.107 2.226 -4.913
161 H ASN 17 HN ASN 17 -1.038 -0.845 -9.233
162 HA ASN 17 HA ASN 17 -1.137 -0.824 -12.118
163 1HB ASN 17 HB2 ASN 17 0.733 -0.018 -10.259
164 2HB ASN 17 HB1 ASN 17 1.437 -1.502 -10.894
165 1HD2 ASN 17 HD21 ASN 17 3.082 0.006 -11.668
166 2HD2 ASN 17 HD22 ASN 17 2.836 0.793 -13.186
167 H ASP 18 HN ASP 18 -0.665 -2.497 -13.496
168 HA ASP 18 HA ASP 18 -0.861 -5.170 -12.333
169 1HB ASP 18 HB2 ASP 18 -1.425 -3.988 -15.014
170 2HB ASP 18 HB1 ASP 18 -1.006 -5.697 -14.932
171 H LYS 19 HN LYS 19 1.611 -3.835 -12.000
172 HA LYS 19 HA LYS 19 3.411 -5.066 -13.943
173 1HB LYS 19 HB2 LYS 19 3.610 -2.859 -11.981
174 2HB LYS 19 HB1 LYS 19 5.070 -3.810 -12.217
175 1HG LYS 19 HG2 LYS 19 3.652 -2.877 -14.644
176 2HG LYS 19 HG1 LYS 19 4.504 -1.670 -13.679
177 1HD LYS 19 HD2 LYS 19 6.524 -2.431 -14.298
178 2HD LYS 19 HD1 LYS 19 6.037 -4.120 -14.148
179 1HE LYS 19 HE2 LYS 19 4.932 -2.541 -16.410
180 2HE LYS 19 HE1 LYS 19 6.625 -3.029 -16.491
181 1HZ LYS 19 HZ1 LYS 19 5.998 -5.307 -16.288
182 2HZ LYS 19 HZ2 LYS 19 5.064 -4.627 -17.522
183 3HZ LYS 19 HZ3 LYS 19 4.379 -4.906 -16.001
184 1HN NH2 20 NH1 NH2 20 3.547 -7.192 -13.488
185 2HN NH2 20 NH2 NH2 20 4.072 -7.845 -11.977
Start of MODEL 5
1 1H ALA 1 HT1 ALA 1 2.659 4.487 16.441
2 2H ALA 1 HT2 ALA 1 1.783 3.119 15.887
3 3H ALA 1 HT3 ALA 1 0.946 4.524 16.406
4 HA ALA 1 HA ALA 1 2.120 5.735 14.609
5 1HB ALA 1 HB1 ALA 1 2.947 2.928 14.063
6 2HB ALA 1 HB2 ALA 1 3.860 4.428 13.898
7 3HB ALA 1 HB3 ALA 1 2.638 4.002 12.700
8 H LYS 2 HN LYS 2 0.235 6.555 13.965
9 HA LYS 2 HA LYS 2 -1.921 4.747 13.157
10 1HB LYS 2 HB2 LYS 2 -2.077 6.857 14.772
11 2HB LYS 2 HB1 LYS 2 -2.294 7.701 13.245
12 1HG LYS 2 HG2 LYS 2 -4.336 6.790 12.868
13 2HG LYS 2 HG1 LYS 2 -3.941 5.284 13.698
14 1HD LYS 2 HD2 LYS 2 -3.847 7.038 15.759
15 2HD LYS 2 HD1 LYS 2 -5.087 7.784 14.749
16 1HE LYS 2 HE2 LYS 2 -5.068 4.979 15.851
17 2HE LYS 2 HE1 LYS 2 -6.153 6.294 16.299
18 1HZ LYS 2 HZ1 LYS 2 -6.016 5.099 13.585
19 2HZ LYS 2 HZ2 LYS 2 -7.142 6.233 14.139
20 3HZ LYS 2 HZ3 LYS 2 -7.151 4.661 14.761
21 H LYS 3 HN LYS 3 0.444 5.226 11.490
22 HA LYS 3 HA LYS 3 -0.967 6.188 9.091
23 1HB LYS 3 HB2 LYS 3 1.010 7.663 10.315
24 2HB LYS 3 HB1 LYS 3 1.916 6.760 9.109
25 1HG LYS 3 HG2 LYS 3 -0.561 7.973 8.118
26 2HG LYS 3 HG1 LYS 3 0.664 9.121 8.662
27 1HD LYS 3 HD2 LYS 3 1.464 6.859 6.886
28 2HD LYS 3 HD1 LYS 3 0.650 8.260 6.187
29 1HE LYS 3 HE2 LYS 3 2.735 9.089 6.029
30 2HE LYS 3 HE1 LYS 3 2.507 9.475 7.734
31 1HZ LYS 3 HZ1 LYS 3 3.927 7.867 8.382
32 2HZ LYS 3 HZ2 LYS 3 4.568 8.085 6.832
33 3HZ LYS 3 HZ3 LYS 3 3.501 6.807 7.133
34 H VAL 4 HN VAL 4 -0.040 3.509 10.342
35 HA VAL 4 HA VAL 4 1.916 2.383 8.674
36 HB VAL 4 HB VAL 4 1.065 1.183 10.641
37 1HG1 VAL 4 HG11 VAL 4 -1.237 -0.072 9.968
38 2HG1 VAL 4 HG12 VAL 4 -1.491 1.508 9.226
39 3HG1 VAL 4 HG13 VAL 4 -1.154 1.389 10.953
40 1HG2 VAL 4 HG21 VAL 4 2.031 0.005 8.583
41 2HG2 VAL 4 HG22 VAL 4 0.372 -0.487 8.245
42 3HG2 VAL 4 HG23 VAL 4 1.149 -0.980 9.750
43 H SER 5 HN SER 5 -1.209 3.490 8.116
44 HA SER 5 HA SER 5 -2.356 2.127 6.114
45 1HB SER 5 HB2 SER 5 -3.046 4.335 7.194
46 2HB SER 5 HB1 SER 5 -1.997 5.113 6.013
47 HG SER 5 HG SER 5 -3.275 4.148 4.366
48 H LYS 6 HN LYS 6 0.508 4.052 5.929
49 HA LYS 6 HA LYS 6 0.755 4.281 3.148
50 1HB LYS 6 HB2 LYS 6 2.135 5.447 4.969
51 2HB LYS 6 HB1 LYS 6 3.097 3.976 5.023
52 1HG LYS 6 HG2 LYS 6 4.335 5.178 3.551
53 2HG LYS 6 HG1 LYS 6 3.234 4.391 2.419
54 1HD LYS 6 HD2 LYS 6 2.005 6.783 3.366
55 2HD LYS 6 HD1 LYS 6 3.645 7.166 2.841
56 1HE LYS 6 HE2 LYS 6 2.751 7.291 0.791
57 2HE LYS 6 HE1 LYS 6 2.784 5.529 0.836
58 1HZ LYS 6 HZ1 LYS 6 0.470 6.067 2.079
59 2HZ LYS 6 HZ2 LYS 6 0.606 5.732 0.427
60 3HZ LYS 6 HZ3 LYS 6 0.532 7.335 0.961
61 H ARG 7 HN ARG 7 2.050 1.841 5.392
62 HA ARG 7 HA ARG 7 3.263 0.243 3.407
63 1HB ARG 7 HB2 ARG 7 2.458 -0.125 6.243
64 2HB ARG 7 HB1 ARG 7 2.680 -1.585 5.288
65 1HG ARG 7 HG2 ARG 7 4.837 0.379 5.018
66 2HG ARG 7 HG1 ARG 7 4.648 -0.293 6.639
67 1HD ARG 7 HD2 ARG 7 5.016 -2.483 5.897
68 2HD ARG 7 HD1 ARG 7 4.716 -2.057 4.213
69 HE ARG 7 HE ARG 7 7.193 -1.811 5.651
70 1HH1 ARG 7 HH11 ARG 7 5.330 -0.645 2.940
71 2HH1 ARG 7 HH12 ARG 7 6.719 -0.112 2.054
72 1HH2 ARG 7 HH21 ARG 7 9.021 -1.110 4.488
73 2HH2 ARG 7 HH22 ARG 7 8.815 -0.377 2.932
74 H LEU 8 HN LEU 8 0.033 0.362 4.783
75 HA LEU 8 HA LEU 8 -0.981 -1.964 3.537
76 1HB LEU 8 HB2 LEU 8 -2.119 0.416 4.888
77 2HB LEU 8 HB1 LEU 8 -3.185 -0.426 3.778
78 HG LEU 8 HG LEU 8 -1.779 -1.708 6.123
79 1HD1 LEU 8 HD11 LEU 8 -4.376 -0.335 5.838
80 2HD1 LEU 8 HD12 LEU 8 -3.352 -0.552 7.258
81 3HD1 LEU 8 HD13 LEU 8 -4.390 -1.869 6.709
82 1HD2 LEU 8 HD21 LEU 8 -3.420 -2.728 3.888
83 2HD2 LEU 8 HD22 LEU 8 -3.783 -3.370 5.490
84 3HD2 LEU 8 HD23 LEU 8 -2.156 -3.523 4.827
85 H GLU 9 HN GLU 9 -0.977 1.474 2.634
86 HA GLU 9 HA GLU 9 -2.397 1.178 0.220
87 1HB GLU 9 HB2 GLU 9 -0.532 3.233 1.336
88 2HB GLU 9 HB1 GLU 9 -0.950 3.314 -0.370
89 1HG GLU 9 HG2 GLU 9 -3.399 3.018 0.743
90 2HG GLU 9 HG1 GLU 9 -2.560 3.922 2.003
91 H LYS 10 HN LYS 10 0.925 0.586 1.092
92 HA LYS 10 HA LYS 10 1.966 0.508 -1.559
93 1HB LYS 10 HB2 LYS 10 3.210 0.686 0.732
94 2HB LYS 10 HB1 LYS 10 3.132 -1.071 0.712
95 1HG LYS 10 HG2 LYS 10 4.065 -0.261 -1.823
96 2HG LYS 10 HG1 LYS 10 4.960 0.665 -0.618
97 1HD LYS 10 HD2 LYS 10 6.276 -1.164 -0.556
98 2HD LYS 10 HD1 LYS 10 5.013 -1.797 0.503
99 1HE LYS 10 HE2 LYS 10 3.961 -2.470 -1.858
100 2HE LYS 10 HE1 LYS 10 5.667 -2.480 -2.304
101 1HZ LYS 10 HZ1 LYS 10 4.356 -4.077 -0.177
102 2HZ LYS 10 HZ2 LYS 10 6.034 -3.968 -0.358
103 3HZ LYS 10 HZ3 LYS 10 5.095 -4.651 -1.587
104 H LEU 11 HN LEU 11 0.457 -1.803 0.591
105 HA LEU 11 HA LEU 11 1.053 -4.124 -0.940
106 1HB LEU 11 HB2 LEU 11 -0.125 -3.565 1.534
107 2HB LEU 11 HB1 LEU 11 -1.396 -4.326 0.596
108 HG LEU 11 HG LEU 11 0.823 -5.942 0.147
109 1HD1 LEU 11 HD11 LEU 11 1.578 -4.497 2.290
110 2HD1 LEU 11 HD12 LEU 11 2.070 -6.167 2.007
111 3HD1 LEU 11 HD13 LEU 11 0.719 -5.816 3.085
112 1HD2 LEU 11 HD21 LEU 11 -1.194 -7.019 0.359
113 2HD2 LEU 11 HD22 LEU 11 -1.652 -6.112 1.800
114 3HD2 LEU 11 HD23 LEU 11 -0.450 -7.398 1.912
115 H PHE 12 HN PHE 12 -1.723 -1.924 -0.778
116 HA PHE 12 HA PHE 12 -3.381 -3.357 -2.554
117 1HB PHE 12 HB2 PHE 12 -3.742 -1.186 -0.976
118 2HB PHE 12 HB1 PHE 12 -3.613 -0.406 -2.549
119 HD1 PHE 12 HD1 PHE 12 -5.333 -3.321 -0.975
120 HD2 PHE 12 HD2 PHE 12 -5.547 -0.089 -3.735
121 HE1 PHE 12 HE1 PHE 12 -7.685 -3.876 -1.436
122 HE2 PHE 12 HE2 PHE 12 -7.900 -0.638 -4.201
123 HZ PHE 12 HZ PHE 12 -8.972 -2.533 -3.051
124 H SER 13 HN SER 13 -0.798 -1.055 -3.057
125 HA SER 13 HA SER 13 -1.303 -0.395 -5.736
126 1HB SER 13 HB2 SER 13 0.382 0.674 -4.132
127 2HB SER 13 HB1 SER 13 1.460 -0.658 -4.551
128 HG SER 13 HG SER 13 1.843 1.116 -5.898
129 H LYS 14 HN LYS 14 0.182 -3.189 -4.260
130 HA LYS 14 HA LYS 14 1.421 -4.242 -6.572
131 1HB LYS 14 HB2 LYS 14 0.719 -5.229 -3.872
132 2HB LYS 14 HB1 LYS 14 0.904 -6.462 -5.113
133 1HG LYS 14 HG2 LYS 14 3.042 -4.458 -5.059
134 2HG LYS 14 HG1 LYS 14 2.923 -5.458 -3.610
135 1HD LYS 14 HD2 LYS 14 3.052 -6.532 -6.425
136 2HD LYS 14 HD1 LYS 14 4.440 -6.390 -5.344
137 1HE LYS 14 HE2 LYS 14 3.825 -8.174 -4.112
138 2HE LYS 14 HE1 LYS 14 2.109 -7.782 -4.215
139 1HZ LYS 14 HZ1 LYS 14 3.171 -9.856 -5.445
140 2HZ LYS 14 HZ2 LYS 14 3.400 -8.704 -6.661
141 3HZ LYS 14 HZ3 LYS 14 1.845 -9.015 -6.075
142 H ILE 15 HN ILE 15 -1.808 -4.581 -5.198
143 HA ILE 15 HA ILE 15 -2.670 -6.612 -7.002
144 HB ILE 15 HB ILE 15 -4.407 -4.663 -5.493
145 1HG1 ILE 15 HG12 ILE 15 -2.654 -5.935 -4.115
146 2HG1 ILE 15 HG11 ILE 15 -4.329 -6.065 -3.602
147 1HG2 ILE 15 HG21 ILE 15 -5.580 -5.930 -7.199
148 2HG2 ILE 15 HG22 ILE 15 -6.065 -6.470 -5.592
149 3HG2 ILE 15 HG23 ILE 15 -4.941 -7.438 -6.545
150 1HD1 ILE 15 HD11 ILE 15 -3.118 -8.124 -5.398
151 2HD1 ILE 15 HD12 ILE 15 -4.504 -8.264 -4.317
152 3HD1 ILE 15 HD13 ILE 15 -2.872 -8.178 -3.653
153 H GLN 16 HN GLN 16 -2.562 -3.129 -7.098
154 HA GLN 16 HA GLN 16 -4.129 -3.101 -9.578
155 1HB GLN 16 HB2 GLN 16 -4.260 -1.445 -7.417
156 2HB GLN 16 HB1 GLN 16 -3.182 -0.539 -8.470
157 1HG GLN 16 HG2 GLN 16 -4.798 -0.351 -10.152
158 2HG GLN 16 HG1 GLN 16 -5.799 -1.621 -9.449
159 1HE2 GLN 16 HE21 GLN 16 -6.426 1.161 -10.176
160 2HE2 GLN 16 HE22 GLN 16 -7.054 1.887 -8.740
161 H ASN 17 HN ASN 17 -1.430 -4.147 -9.486
162 HA ASN 17 HA ASN 17 0.361 -2.191 -10.554
163 1HB ASN 17 HB2 ASN 17 0.577 -4.812 -9.565
164 2HB ASN 17 HB1 ASN 17 1.089 -4.902 -11.248
165 1HD2 ASN 17 HD21 ASN 17 2.449 -4.940 -8.504
166 2HD2 ASN 17 HD22 ASN 17 3.775 -3.851 -8.701
167 H ASP 18 HN ASP 18 0.203 -1.341 -12.511
168 HA ASP 18 HA ASP 18 -1.187 -2.808 -14.621
169 1HB ASP 18 HB2 ASP 18 -0.622 0.039 -14.048
170 2HB ASP 18 HB1 ASP 18 -0.609 -0.415 -15.749
171 H LYS 19 HN LYS 19 1.598 -3.425 -13.697
172 HA LYS 19 HA LYS 19 3.170 -2.741 -16.061
173 1HB LYS 19 HB2 LYS 19 3.940 -2.755 -13.517
174 2HB LYS 19 HB1 LYS 19 4.261 -4.446 -13.874
175 1HG LYS 19 HG2 LYS 19 5.438 -3.280 -15.998
176 2HG LYS 19 HG1 LYS 19 5.653 -2.020 -14.781
177 1HD LYS 19 HD2 LYS 19 6.246 -4.704 -13.792
178 2HD LYS 19 HD1 LYS 19 7.280 -4.208 -15.133
179 1HE LYS 19 HE2 LYS 19 7.914 -2.197 -13.947
180 2HE LYS 19 HE1 LYS 19 6.801 -2.586 -12.636
181 1HZ LYS 19 HZ1 LYS 19 8.767 -4.626 -13.274
182 2HZ LYS 19 HZ2 LYS 19 8.210 -4.091 -11.770
183 3HZ LYS 19 HZ3 LYS 19 9.385 -3.202 -12.600
184 1HN NH2 20 NH1 NH2 20 2.316 -5.646 -14.206
185 2HN NH2 20 NH2 NH2 20 2.412 -6.742 -15.538
Start of MODEL 6
1 1H ALA 1 HT1 ALA 1 -2.950 8.577 13.917
2 2H ALA 1 HT2 ALA 1 -4.502 8.353 13.220
3 3H ALA 1 HT3 ALA 1 -3.352 9.369 12.451
4 HA ALA 1 HA ALA 1 -3.416 6.456 12.674
5 1HB ALA 1 HB1 ALA 1 -2.743 8.142 10.288
6 2HB ALA 1 HB2 ALA 1 -4.416 7.826 10.749
7 3HB ALA 1 HB3 ALA 1 -3.345 6.485 10.343
8 H LYS 2 HN LYS 2 -1.555 5.260 12.282
9 HA LYS 2 HA LYS 2 0.937 6.682 12.870
10 1HB LYS 2 HB2 LYS 2 -0.081 4.451 14.012
11 2HB LYS 2 HB1 LYS 2 0.921 3.726 12.762
12 1HG LYS 2 HG2 LYS 2 2.866 4.921 13.610
13 2HG LYS 2 HG1 LYS 2 1.865 5.681 14.849
14 1HD LYS 2 HD2 LYS 2 2.223 2.701 14.558
15 2HD LYS 2 HD1 LYS 2 3.182 3.709 15.644
16 1HE LYS 2 HE2 LYS 2 1.598 3.261 17.161
17 2HE LYS 2 HE1 LYS 2 0.626 4.442 16.283
18 1HZ LYS 2 HZ1 LYS 2 0.568 1.492 16.028
19 2HZ LYS 2 HZ2 LYS 2 -0.153 2.517 14.891
20 3HZ LYS 2 HZ3 LYS 2 -0.691 2.523 16.494
21 H LYS 3 HN LYS 3 -0.312 6.694 10.220
22 HA LYS 3 HA LYS 3 0.156 6.339 8.006
23 1HB LYS 3 HB2 LYS 3 2.417 6.842 7.371
24 2HB LYS 3 HB1 LYS 3 2.001 7.846 8.752
25 1HG LYS 3 HG2 LYS 3 3.395 6.680 10.186
26 2HG LYS 3 HG1 LYS 3 3.437 5.254 9.147
27 1HD LYS 3 HD2 LYS 3 5.432 6.040 8.487
28 2HD LYS 3 HD1 LYS 3 4.490 7.169 7.512
29 1HE LYS 3 HE2 LYS 3 4.660 8.239 10.128
30 2HE LYS 3 HE1 LYS 3 6.279 7.716 9.666
31 1HZ LYS 3 HZ1 LYS 3 5.499 8.955 7.443
32 2HZ LYS 3 HZ2 LYS 3 6.331 9.727 8.696
33 3HZ LYS 3 HZ3 LYS 3 4.649 9.861 8.592
34 H VAL 4 HN VAL 4 -0.052 3.885 9.735
35 HA VAL 4 HA VAL 4 1.760 1.935 8.797
36 HB VAL 4 HB VAL 4 0.237 1.476 10.676
37 1HG1 VAL 4 HG11 VAL 4 -1.716 2.690 9.884
38 2HG1 VAL 4 HG12 VAL 4 -2.137 1.021 10.270
39 3HG1 VAL 4 HG13 VAL 4 -1.940 1.514 8.589
40 1HG2 VAL 4 HG21 VAL 4 -0.499 -0.778 9.990
41 2HG2 VAL 4 HG22 VAL 4 1.153 -0.422 9.486
42 3HG2 VAL 4 HG23 VAL 4 -0.162 -0.355 8.312
43 H SER 5 HN SER 5 -0.705 3.714 7.376
44 HA SER 5 HA SER 5 -1.837 2.303 5.382
45 1HB SER 5 HB2 SER 5 -2.037 4.786 5.962
46 2HB SER 5 HB1 SER 5 -0.617 5.020 4.948
47 HG SER 5 HG SER 5 -2.978 3.736 4.042
48 H LYS 6 HN LYS 6 1.448 3.329 5.626
49 HA LYS 6 HA LYS 6 2.274 2.968 2.973
50 1HB LYS 6 HB2 LYS 6 3.532 3.994 5.019
51 2HB LYS 6 HB1 LYS 6 4.081 2.346 5.288
52 1HG LYS 6 HG2 LYS 6 5.764 3.440 4.041
53 2HG LYS 6 HG1 LYS 6 4.934 2.349 2.929
54 1HD LYS 6 HD2 LYS 6 5.010 4.243 1.645
55 2HD LYS 6 HD1 LYS 6 3.468 4.493 2.466
56 1HE LYS 6 HE2 LYS 6 5.857 5.508 3.864
57 2HE LYS 6 HE1 LYS 6 5.435 6.334 2.365
58 1HZ LYS 6 HZ1 LYS 6 3.247 5.829 4.211
59 2HZ LYS 6 HZ2 LYS 6 3.567 7.188 3.257
60 3HZ LYS 6 HZ3 LYS 6 4.393 6.968 4.717
61 H ARG 7 HN ARG 7 2.350 0.728 5.742
62 HA ARG 7 HA ARG 7 3.390 -1.463 4.299
63 1HB ARG 7 HB2 ARG 7 1.964 -1.112 6.892
64 2HB ARG 7 HB1 ARG 7 2.013 -2.729 6.204
65 1HG ARG 7 HG2 ARG 7 3.850 -2.622 7.647
66 2HG ARG 7 HG1 ARG 7 4.528 -2.415 6.030
67 1HD ARG 7 HD2 ARG 7 5.571 -0.651 6.958
68 2HD ARG 7 HD1 ARG 7 4.026 0.158 6.697
69 HE ARG 7 HE ARG 7 4.066 -1.169 9.204
70 1HH1 ARG 7 HH11 ARG 7 5.266 1.670 7.567
71 2HH1 ARG 7 HH12 ARG 7 5.382 2.610 9.017
72 1HH2 ARG 7 HH21 ARG 7 4.219 0.065 11.112
73 2HH2 ARG 7 HH22 ARG 7 4.789 1.698 11.030
74 H LEU 8 HN LEU 8 0.121 -0.313 4.906
75 HA LEU 8 HA LEU 8 -1.223 -2.500 3.708
76 1HB LEU 8 HB2 LEU 8 -2.189 0.356 3.889
77 2HB LEU 8 HB1 LEU 8 -3.177 -1.080 3.700
78 HG LEU 8 HG LEU 8 -1.532 -0.424 6.145
79 1HD1 LEU 8 HD11 LEU 8 -4.477 -0.517 6.256
80 2HD1 LEU 8 HD12 LEU 8 -3.771 0.870 5.426
81 3HD1 LEU 8 HD13 LEU 8 -3.338 0.530 7.102
82 1HD2 LEU 8 HD21 LEU 8 -1.962 -2.866 5.558
83 2HD2 LEU 8 HD22 LEU 8 -3.663 -2.523 5.877
84 3HD2 LEU 8 HD23 LEU 8 -2.468 -2.323 7.158
85 H GLU 9 HN GLU 9 -0.037 0.614 2.518
86 HA GLU 9 HA GLU 9 -1.074 0.411 -0.092
87 1HB GLU 9 HB2 GLU 9 0.560 2.214 1.347
88 2HB GLU 9 HB1 GLU 9 1.471 1.759 -0.086
89 1HG GLU 9 HG2 GLU 9 -0.466 2.383 -1.476
90 2HG GLU 9 HG1 GLU 9 -1.306 2.916 -0.021
91 H LYS 10 HN LYS 10 1.663 -1.056 1.478
92 HA LYS 10 HA LYS 10 3.083 -1.790 -0.874
93 1HB LYS 10 HB2 LYS 10 3.627 -1.871 1.803
94 2HB LYS 10 HB1 LYS 10 3.336 -3.571 1.460
95 1HG LYS 10 HG2 LYS 10 5.279 -1.846 -0.059
96 2HG LYS 10 HG1 LYS 10 5.715 -2.893 1.294
97 1HD LYS 10 HD2 LYS 10 4.249 -3.987 -1.079
98 2HD LYS 10 HD1 LYS 10 6.001 -3.777 -1.121
99 1HE LYS 10 HE2 LYS 10 5.031 -5.092 1.302
100 2HE LYS 10 HE1 LYS 10 4.677 -5.985 -0.176
101 1HZ LYS 10 HZ1 LYS 10 6.745 -6.763 0.174
102 2HZ LYS 10 HZ2 LYS 10 7.235 -5.424 1.084
103 3HZ LYS 10 HZ3 LYS 10 7.212 -5.335 -0.605
104 H LEU 11 HN LEU 11 0.714 -3.441 1.180
105 HA LEU 11 HA LEU 11 0.726 -5.863 -0.314
106 1HB LEU 11 HB2 LEU 11 -0.703 -4.751 1.970
107 2HB LEU 11 HB1 LEU 11 -1.738 -5.731 0.950
108 HG LEU 11 HG LEU 11 0.890 -6.890 1.699
109 1HD1 LEU 11 HD11 LEU 11 0.535 -6.363 3.867
110 2HD1 LEU 11 HD12 LEU 11 -0.551 -7.751 3.784
111 3HD1 LEU 11 HD13 LEU 11 -1.196 -6.116 3.640
112 1HD2 LEU 11 HD21 LEU 11 -1.235 -7.819 0.339
113 2HD2 LEU 11 HD22 LEU 11 -1.659 -8.348 1.967
114 3HD2 LEU 11 HD23 LEU 11 -0.130 -8.852 1.247
115 H PHE 12 HN PHE 12 -1.118 -2.881 -0.472
116 HA PHE 12 HA PHE 12 -2.950 -3.936 -2.451
117 1HB PHE 12 HB2 PHE 12 -3.166 -1.949 -0.592
118 2HB PHE 12 HB1 PHE 12 -2.857 -1.020 -2.055
119 HD1 PHE 12 HD1 PHE 12 -4.905 -4.000 -1.113
120 HD2 PHE 12 HD2 PHE 12 -4.733 -0.239 -3.098
121 HE1 PHE 12 HE1 PHE 12 -7.269 -4.234 -1.754
122 HE2 PHE 12 HE2 PHE 12 -7.097 -0.466 -3.742
123 HZ PHE 12 HZ PHE 12 -8.368 -2.466 -3.070
124 H SER 13 HN SER 13 0.181 -3.122 -2.669
125 HA SER 13 HA SER 13 0.366 -1.287 -4.767
126 1HB SER 13 HB2 SER 13 2.302 -2.020 -3.427
127 2HB SER 13 HB1 SER 13 2.203 -3.619 -4.165
128 HG SER 13 HG SER 13 2.578 -2.587 -6.195
129 H LYS 14 HN LYS 14 -0.278 -4.733 -4.768
130 HA LYS 14 HA LYS 14 0.132 -5.247 -7.495
131 1HB LYS 14 HB2 LYS 14 -0.656 -6.718 -5.285
132 2HB LYS 14 HB1 LYS 14 -2.074 -6.761 -6.323
133 1HG LYS 14 HG2 LYS 14 -1.111 -8.434 -7.410
134 2HG LYS 14 HG1 LYS 14 0.052 -7.264 -8.037
135 1HD LYS 14 HD2 LYS 14 1.077 -7.781 -5.567
136 2HD LYS 14 HD1 LYS 14 0.379 -9.345 -5.993
137 1HE LYS 14 HE2 LYS 14 1.881 -9.715 -7.636
138 2HE LYS 14 HE1 LYS 14 1.918 -8.021 -8.124
139 1HZ LYS 14 HZ1 LYS 14 3.580 -9.435 -6.207
140 2HZ LYS 14 HZ2 LYS 14 3.117 -7.871 -5.760
141 3HZ LYS 14 HZ3 LYS 14 3.956 -8.123 -7.207
142 H ILE 15 HN ILE 15 -2.793 -4.277 -5.731
143 HA ILE 15 HA ILE 15 -4.463 -4.238 -8.036
144 HB ILE 15 HB ILE 15 -4.900 -2.747 -5.452
145 1HG1 ILE 15 HG12 ILE 15 -4.381 -5.252 -5.248
146 2HG1 ILE 15 HG11 ILE 15 -5.867 -4.677 -4.508
147 1HG2 ILE 15 HG21 ILE 15 -6.641 -1.988 -6.647
148 2HG2 ILE 15 HG22 ILE 15 -7.335 -3.574 -6.312
149 3HG2 ILE 15 HG23 ILE 15 -6.513 -3.276 -7.844
150 1HD1 ILE 15 HD11 ILE 15 -7.091 -6.048 -5.745
151 2HD1 ILE 15 HD12 ILE 15 -5.582 -6.794 -6.271
152 3HD1 ILE 15 HD13 ILE 15 -6.312 -5.509 -7.233
153 H GLN 16 HN GLN 16 -2.417 -1.885 -6.443
154 HA GLN 16 HA GLN 16 -3.458 0.396 -7.802
155 1HB GLN 16 HB2 GLN 16 -2.242 0.553 -5.659
156 2HB GLN 16 HB1 GLN 16 -0.773 0.015 -6.463
157 1HG GLN 16 HG2 GLN 16 -0.289 2.102 -6.990
158 2HG GLN 16 HG1 GLN 16 -1.785 2.224 -7.914
159 1HE2 GLN 16 HE21 GLN 16 -0.175 3.969 -5.932
160 2HE2 GLN 16 HE22 GLN 16 -1.400 4.606 -4.895
161 H ASN 17 HN ASN 17 -0.196 -1.020 -8.070
162 HA ASN 17 HA ASN 17 0.325 0.169 -10.578
163 1HB ASN 17 HB2 ASN 17 1.660 -1.816 -8.829
164 2HB ASN 17 HB1 ASN 17 2.098 -1.866 -10.534
165 1HD2 ASN 17 HD21 ASN 17 1.204 0.925 -8.574
166 2HD2 ASN 17 HD22 ASN 17 2.714 1.748 -8.737
167 H ASP 18 HN ASP 18 -0.807 -0.290 -12.350
168 HA ASP 18 HA ASP 18 -1.757 -3.015 -12.803
169 1HB ASP 18 HB2 ASP 18 -2.795 -0.436 -13.369
170 2HB ASP 18 HB1 ASP 18 -2.496 -1.223 -14.916
171 H LYS 19 HN LYS 19 1.072 -2.397 -13.046
172 HA LYS 19 HA LYS 19 1.714 -2.249 -15.837
173 1HB LYS 19 HB2 LYS 19 3.117 -1.703 -13.600
174 2HB LYS 19 HB1 LYS 19 3.715 -3.323 -13.934
175 1HG LYS 19 HG2 LYS 19 4.656 -2.693 -15.963
176 2HG LYS 19 HG1 LYS 19 3.669 -1.235 -16.077
177 1HD LYS 19 HD2 LYS 19 5.784 -0.434 -15.495
178 2HD LYS 19 HD1 LYS 19 4.910 -0.471 -13.962
179 1HE LYS 19 HE2 LYS 19 5.940 -2.901 -13.843
180 2HE LYS 19 HE1 LYS 19 7.133 -2.196 -14.932
181 1HZ LYS 19 HZ1 LYS 19 7.172 -0.324 -13.152
182 2HZ LYS 19 HZ2 LYS 19 8.041 -1.752 -12.891
183 3HZ LYS 19 HZ3 LYS 19 6.546 -1.522 -12.133
184 1HN NH2 20 NH1 NH2 20 3.317 -4.007 -16.660
185 2HN NH2 20 NH2 NH2 20 2.753 -5.634 -16.517
Start of MODEL 7
1 1H ALA 1 HT1 ALA 1 -0.947 9.371 13.209
2 2H ALA 1 HT2 ALA 1 0.622 8.682 13.301
3 3H ALA 1 HT3 ALA 1 -0.440 8.586 14.645
4 HA ALA 1 HA ALA 1 -0.142 6.561 13.214
5 1HB ALA 1 HB1 ALA 1 -1.805 6.305 14.748
6 2HB ALA 1 HB2 ALA 1 -2.778 6.303 13.277
7 3HB ALA 1 HB3 ALA 1 -2.648 7.771 14.247
8 H LYS 2 HN LYS 2 0.192 8.770 11.333
9 HA LYS 2 HA LYS 2 -1.762 8.113 9.249
10 1HB LYS 2 HB2 LYS 2 -0.856 10.532 10.004
11 2HB LYS 2 HB1 LYS 2 0.331 10.158 8.762
12 1HG LYS 2 HG2 LYS 2 -1.444 9.842 7.133
13 2HG LYS 2 HG1 LYS 2 -2.656 10.157 8.376
14 1HD LYS 2 HD2 LYS 2 -1.087 12.358 8.611
15 2HD LYS 2 HD1 LYS 2 -0.941 12.024 6.884
16 1HE LYS 2 HE2 LYS 2 -3.343 12.069 6.633
17 2HE LYS 2 HE1 LYS 2 -3.552 12.265 8.372
18 1HZ LYS 2 HZ1 LYS 2 -2.128 14.364 8.023
19 2HZ LYS 2 HZ2 LYS 2 -3.759 14.406 7.581
20 3HZ LYS 2 HZ3 LYS 2 -2.568 14.214 6.396
21 H LYS 3 HN LYS 3 0.326 6.249 10.048
22 HA LYS 3 HA LYS 3 1.905 6.166 7.549
23 1HB LYS 3 HB2 LYS 3 3.105 6.374 9.835
24 2HB LYS 3 HB1 LYS 3 2.650 4.692 10.070
25 1HG LYS 3 HG2 LYS 3 4.857 4.705 9.221
26 2HG LYS 3 HG1 LYS 3 3.806 4.177 7.905
27 1HD LYS 3 HD2 LYS 3 3.834 6.446 6.980
28 2HD LYS 3 HD1 LYS 3 4.893 6.966 8.293
29 1HE LYS 3 HE2 LYS 3 5.768 4.625 6.706
30 2HE LYS 3 HE1 LYS 3 5.805 6.192 5.900
31 1HZ LYS 3 HZ1 LYS 3 7.852 6.189 6.854
32 2HZ LYS 3 HZ2 LYS 3 7.384 5.228 8.165
33 3HZ LYS 3 HZ3 LYS 3 6.981 6.871 8.135
34 H VAL 4 HN VAL 4 -0.856 4.986 8.513
35 HA VAL 4 HA VAL 4 -0.648 2.189 8.432
36 HB VAL 4 HB VAL 4 -2.896 3.802 7.210
37 1HG1 VAL 4 HG11 VAL 4 -2.501 1.102 7.192
38 2HG1 VAL 4 HG12 VAL 4 -4.069 1.898 7.071
39 3HG1 VAL 4 HG13 VAL 4 -3.494 1.315 8.633
40 1HG2 VAL 4 HG21 VAL 4 -3.643 4.419 9.224
41 2HG2 VAL 4 HG22 VAL 4 -2.027 4.029 9.813
42 3HG2 VAL 4 HG23 VAL 4 -3.319 2.833 9.924
43 H SER 5 HN SER 5 -0.104 4.594 6.145
44 HA SER 5 HA SER 5 -0.601 3.676 3.673
45 1HB SER 5 HB2 SER 5 0.660 5.772 4.439
46 2HB SER 5 HB1 SER 5 2.098 4.757 4.445
47 HG SER 5 HG SER 5 1.447 4.256 2.180
48 H LYS 6 HN LYS 6 1.733 2.456 5.905
49 HA LYS 6 HA LYS 6 3.290 0.896 4.175
50 1HB LYS 6 HB2 LYS 6 3.767 1.443 6.613
51 2HB LYS 6 HB1 LYS 6 2.625 0.173 7.031
52 1HG LYS 6 HG2 LYS 6 4.343 -1.228 6.980
53 2HG LYS 6 HG1 LYS 6 4.331 -1.043 5.225
54 1HD LYS 6 HD2 LYS 6 5.748 1.121 5.832
55 2HD LYS 6 HD1 LYS 6 6.137 0.154 7.256
56 1HE LYS 6 HE2 LYS 6 7.821 -0.392 5.741
57 2HE LYS 6 HE1 LYS 6 6.672 -1.721 5.587
58 1HZ LYS 6 HZ1 LYS 6 7.371 0.360 3.677
59 2HZ LYS 6 HZ2 LYS 6 5.740 -0.083 3.729
60 3HZ LYS 6 HZ3 LYS 6 6.922 -1.250 3.410
61 H ARG 7 HN ARG 7 0.406 0.061 6.087
62 HA ARG 7 HA ARG 7 0.234 -2.609 5.191
63 1HB ARG 7 HB2 ARG 7 -1.590 -0.688 6.534
64 2HB ARG 7 HB1 ARG 7 -2.344 -2.043 5.705
65 1HG ARG 7 HG2 ARG 7 -2.068 -3.045 7.699
66 2HG ARG 7 HG1 ARG 7 -0.449 -3.358 7.070
67 1HD ARG 7 HD2 ARG 7 0.306 -2.342 8.907
68 2HD ARG 7 HD1 ARG 7 -0.227 -0.837 8.159
69 HE ARG 7 HE ARG 7 -2.293 -2.188 9.629
70 1HH1 ARG 7 HH11 ARG 7 0.378 0.046 9.854
71 2HH1 ARG 7 HH12 ARG 7 -0.223 0.816 11.283
72 1HH2 ARG 7 HH21 ARG 7 -3.085 -1.178 11.510
73 2HH2 ARG 7 HH22 ARG 7 -2.189 0.120 12.224
74 H LEU 8 HN LEU 8 -1.090 0.426 3.982
75 HA LEU 8 HA LEU 8 -2.635 -0.698 1.895
76 1HB LEU 8 HB2 LEU 8 -1.722 1.981 2.695
77 2HB LEU 8 HB1 LEU 8 -1.942 1.786 0.966
78 HG LEU 8 HG LEU 8 -4.125 0.941 2.830
79 1HD1 LEU 8 HD11 LEU 8 -3.258 3.330 3.312
80 2HD1 LEU 8 HD12 LEU 8 -4.986 3.075 3.073
81 3HD1 LEU 8 HD13 LEU 8 -4.003 3.732 1.765
82 1HD2 LEU 8 HD21 LEU 8 -5.513 1.603 0.901
83 2HD2 LEU 8 HD22 LEU 8 -4.340 0.349 0.498
84 3HD2 LEU 8 HD23 LEU 8 -4.045 2.020 0.016
85 H GLU 9 HN GLU 9 0.692 0.484 2.124
86 HA GLU 9 HA GLU 9 1.346 0.202 -0.604
87 1HB GLU 9 HB2 GLU 9 2.709 0.840 1.838
88 2HB GLU 9 HB1 GLU 9 3.656 -0.348 0.954
89 1HG GLU 9 HG2 GLU 9 4.406 1.807 0.308
90 2HG GLU 9 HG1 GLU 9 3.508 1.125 -1.047
91 H LYS 10 HN LYS 10 1.087 -2.076 2.022
92 HA LYS 10 HA LYS 10 2.560 -4.183 0.795
93 1HB LYS 10 HB2 LYS 10 0.705 -3.930 3.112
94 2HB LYS 10 HB1 LYS 10 0.962 -5.538 2.448
95 1HG LYS 10 HG2 LYS 10 3.274 -3.780 3.172
96 2HG LYS 10 HG1 LYS 10 2.447 -4.756 4.388
97 1HD LYS 10 HD2 LYS 10 3.131 -6.748 3.447
98 2HD LYS 10 HD1 LYS 10 3.352 -6.037 1.847
99 1HE LYS 10 HE2 LYS 10 5.536 -6.133 2.385
100 2HE LYS 10 HE1 LYS 10 5.182 -4.642 3.257
101 1HZ LYS 10 HZ1 LYS 10 6.406 -6.458 4.507
102 2HZ LYS 10 HZ2 LYS 10 4.936 -7.292 4.546
103 3HZ LYS 10 HZ3 LYS 10 5.065 -5.774 5.280
104 H LEU 11 HN LEU 11 -0.879 -3.352 0.972
105 HA LEU 11 HA LEU 11 -1.764 -5.583 -0.556
106 1HB LEU 11 HB2 LEU 11 -2.963 -3.085 0.497
107 2HB LEU 11 HB1 LEU 11 -3.774 -3.829 -0.869
108 HG LEU 11 HG LEU 11 -3.645 -5.998 0.592
109 1HD1 LEU 11 HD11 LEU 11 -2.244 -5.095 2.346
110 2HD1 LEU 11 HD12 LEU 11 -3.833 -5.505 2.993
111 3HD1 LEU 11 HD13 LEU 11 -3.422 -3.821 2.665
112 1HD2 LEU 11 HD21 LEU 11 -5.609 -4.278 -0.040
113 2HD2 LEU 11 HD22 LEU 11 -5.615 -4.111 1.716
114 3HD2 LEU 11 HD23 LEU 11 -5.849 -5.697 0.980
115 H PHE 12 HN PHE 12 -0.544 -2.423 -1.350
116 HA PHE 12 HA PHE 12 -1.579 -2.130 -3.934
117 1HB PHE 12 HB2 PHE 12 -0.003 -0.608 -2.337
118 2HB PHE 12 HB1 PHE 12 1.190 -1.186 -3.495
119 HD1 PHE 12 HD1 PHE 12 -0.829 1.467 -2.804
120 HD2 PHE 12 HD2 PHE 12 0.120 -1.137 -6.033
121 HE1 PHE 12 HE1 PHE 12 -1.557 3.190 -4.402
122 HE2 PHE 12 HE2 PHE 12 -0.605 0.581 -7.637
123 HZ PHE 12 HZ PHE 12 -1.445 2.748 -6.822
124 H SER 13 HN SER 13 1.325 -3.777 -2.773
125 HA SER 13 HA SER 13 2.427 -4.405 -5.276
126 1HB SER 13 HB2 SER 13 2.742 -5.412 -2.499
127 2HB SER 13 HB1 SER 13 3.290 -6.479 -3.792
128 HG SER 13 HG SER 13 4.821 -5.077 -4.329
129 H LYS 14 HN LYS 14 -0.128 -5.878 -3.412
130 HA LYS 14 HA LYS 14 -0.250 -8.323 -4.855
131 1HB LYS 14 HB2 LYS 14 -1.433 -7.339 -2.574
132 2HB LYS 14 HB1 LYS 14 -2.777 -7.375 -3.707
133 1HG LYS 14 HG2 LYS 14 -0.989 -9.738 -3.206
134 2HG LYS 14 HG1 LYS 14 -2.471 -9.431 -2.299
135 1HD LYS 14 HD2 LYS 14 -3.721 -10.273 -3.938
136 2HD LYS 14 HD1 LYS 14 -2.959 -9.219 -5.130
137 1HE LYS 14 HE2 LYS 14 -1.320 -11.487 -4.223
138 2HE LYS 14 HE1 LYS 14 -2.769 -11.923 -5.127
139 1HZ LYS 14 HZ1 LYS 14 -0.848 -9.896 -6.108
140 2HZ LYS 14 HZ2 LYS 14 -2.050 -10.704 -6.980
141 3HZ LYS 14 HZ3 LYS 14 -0.677 -11.542 -6.458
142 H ILE 15 HN ILE 15 -1.574 -5.132 -5.336
143 HA ILE 15 HA ILE 15 -3.471 -5.916 -7.341
144 HB ILE 15 HB ILE 15 -2.359 -3.150 -6.877
145 1HG1 ILE 15 HG12 ILE 15 -4.785 -4.414 -5.584
146 2HG1 ILE 15 HG11 ILE 15 -3.237 -4.181 -4.778
147 1HG2 ILE 15 HG21 ILE 15 -5.154 -3.592 -7.701
148 2HG2 ILE 15 HG22 ILE 15 -3.922 -3.995 -8.896
149 3HG2 ILE 15 HG23 ILE 15 -3.994 -2.368 -8.219
150 1HD1 ILE 15 HD11 ILE 15 -3.922 -2.178 -4.150
151 2HD1 ILE 15 HD12 ILE 15 -5.406 -2.356 -5.086
152 3HD1 ILE 15 HD13 ILE 15 -3.961 -1.687 -5.844
153 H GLN 16 HN GLN 16 -0.171 -4.687 -7.312
154 HA GLN 16 HA GLN 16 1.406 -4.476 -8.938
155 1HB GLN 16 HB2 GLN 16 0.686 -6.929 -9.177
156 2HB GLN 16 HB1 GLN 16 -0.213 -6.400 -10.592
157 1HG GLN 16 HG2 GLN 16 1.849 -5.591 -11.609
158 2HG GLN 16 HG1 GLN 16 2.755 -6.104 -10.187
159 1HE2 GLN 16 HE21 GLN 16 0.197 -7.637 -12.106
160 2HE2 GLN 16 HE22 GLN 16 1.084 -9.077 -12.457
161 H ASN 17 HN ASN 17 -1.177 -2.881 -9.052
162 HA ASN 17 HA ASN 17 -1.323 -2.274 -11.906
163 1HB ASN 17 HB2 ASN 17 -3.362 -2.516 -10.315
164 2HB ASN 17 HB1 ASN 17 -2.936 -0.894 -9.779
165 1HD2 ASN 17 HD21 ASN 17 -5.273 -0.845 -10.713
166 2HD2 ASN 17 HD22 ASN 17 -5.381 -0.308 -12.352
167 H ASP 18 HN ASP 18 -0.679 -0.365 -12.800
168 HA ASP 18 HA ASP 18 1.042 1.311 -11.136
169 1HB ASP 18 HB2 ASP 18 1.825 2.237 -13.313
170 2HB ASP 18 HB1 ASP 18 2.053 0.496 -13.174
171 H LYS 19 HN LYS 19 -1.889 1.480 -10.989
172 HA LYS 19 HA LYS 19 -2.453 4.082 -12.188
173 1HB LYS 19 HB2 LYS 19 -4.018 1.873 -11.897
174 2HB LYS 19 HB1 LYS 19 -4.508 2.814 -10.495
175 1HG LYS 19 HG2 LYS 19 -5.423 4.486 -11.762
176 2HG LYS 19 HG1 LYS 19 -4.381 4.156 -13.147
177 1HD LYS 19 HD2 LYS 19 -5.630 2.016 -13.477
178 2HD LYS 19 HD1 LYS 19 -6.745 2.536 -12.212
179 1HE LYS 19 HE2 LYS 19 -7.546 4.324 -13.496
180 2HE LYS 19 HE1 LYS 19 -6.177 4.255 -14.604
181 1HZ LYS 19 HZ1 LYS 19 -7.683 3.193 -15.878
182 2HZ LYS 19 HZ2 LYS 19 -8.617 2.672 -14.568
183 3HZ LYS 19 HZ3 LYS 19 -7.201 1.844 -14.979
184 1HN NH2 20 NH1 NH2 20 -2.598 2.528 -9.002
185 2HN NH2 20 NH2 NH2 20 -2.417 3.981 -8.085
Start of MODEL 8
1 1H ALA 1 HT1 ALA 1 0.056 4.997 14.336
2 2H ALA 1 HT2 ALA 1 0.620 6.532 13.817
3 3H ALA 1 HT3 ALA 1 0.503 5.235 12.699
4 HA ALA 1 HA ALA 1 -1.904 5.187 13.168
5 1HB ALA 1 HB1 ALA 1 -1.056 7.512 14.797
6 2HB ALA 1 HB2 ALA 1 -2.345 6.340 15.074
7 3HB ALA 1 HB3 ALA 1 -2.577 7.649 13.915
8 H LYS 2 HN LYS 2 0.300 7.829 12.331
9 HA LYS 2 HA LYS 2 -1.327 8.435 9.972
10 1HB LYS 2 HB2 LYS 2 0.043 10.449 9.762
11 2HB LYS 2 HB1 LYS 2 -0.659 10.332 11.370
12 1HG LYS 2 HG2 LYS 2 1.432 9.610 12.295
13 2HG LYS 2 HG1 LYS 2 2.155 9.510 10.688
14 1HD LYS 2 HD2 LYS 2 1.623 11.994 10.475
15 2HD LYS 2 HD1 LYS 2 1.318 11.963 12.212
16 1HE LYS 2 HE2 LYS 2 3.601 12.682 11.723
17 2HE LYS 2 HE1 LYS 2 3.583 11.157 12.608
18 1HZ LYS 2 HZ1 LYS 2 5.154 11.315 10.659
19 2HZ LYS 2 HZ2 LYS 2 3.792 11.265 9.658
20 3HZ LYS 2 HZ3 LYS 2 4.135 9.964 10.682
21 H LYS 3 HN LYS 3 0.376 6.020 10.262
22 HA LYS 3 HA LYS 3 1.875 6.362 7.763
23 1HB LYS 3 HB2 LYS 3 3.792 5.112 8.667
24 2HB LYS 3 HB1 LYS 3 3.539 6.621 9.533
25 1HG LYS 3 HG2 LYS 3 2.196 5.150 11.193
26 2HG LYS 3 HG1 LYS 3 3.082 3.817 10.449
27 1HD LYS 3 HD2 LYS 3 4.716 6.142 11.211
28 2HD LYS 3 HD1 LYS 3 3.983 5.265 12.555
29 1HE LYS 3 HE2 LYS 3 5.969 4.130 12.306
30 2HE LYS 3 HE1 LYS 3 4.889 3.163 11.302
31 1HZ LYS 3 HZ1 LYS 3 6.698 3.457 9.939
32 2HZ LYS 3 HZ2 LYS 3 7.009 5.029 10.479
33 3HZ LYS 3 HZ3 LYS 3 5.709 4.735 9.438
34 H VAL 4 HN VAL 4 -0.626 4.912 8.963
35 HA VAL 4 HA VAL 4 -0.220 2.146 8.706
36 HB VAL 4 HB VAL 4 -2.709 3.660 7.889
37 1HG1 VAL 4 HG11 VAL 4 -2.644 1.321 7.164
38 2HG1 VAL 4 HG12 VAL 4 -3.876 1.585 8.398
39 3HG1 VAL 4 HG13 VAL 4 -2.347 0.817 8.827
40 1HG2 VAL 4 HG21 VAL 4 -3.486 3.172 10.212
41 2HG2 VAL 4 HG22 VAL 4 -2.163 4.335 10.119
42 3HG2 VAL 4 HG23 VAL 4 -1.840 2.669 10.599
43 H SER 5 HN SER 5 -0.121 4.687 6.511
44 HA SER 5 HA SER 5 -0.867 3.868 4.071
45 1HB SER 5 HB2 SER 5 0.341 6.002 4.779
46 2HB SER 5 HB1 SER 5 1.835 5.088 4.591
47 HG SER 5 HG SER 5 1.137 4.681 2.392
48 H LYS 6 HN LYS 6 1.806 2.690 5.915
49 HA LYS 6 HA LYS 6 3.201 1.319 3.905
50 1HB LYS 6 HB2 LYS 6 3.634 1.744 6.550
51 2HB LYS 6 HB1 LYS 6 3.135 0.059 6.582
52 1HG LYS 6 HG2 LYS 6 5.412 -0.126 6.362
53 2HG LYS 6 HG1 LYS 6 4.884 -0.220 4.680
54 1HD LYS 6 HD2 LYS 6 5.194 2.404 4.814
55 2HD LYS 6 HD1 LYS 6 6.306 1.966 6.113
56 1HE LYS 6 HE2 LYS 6 7.718 0.808 4.687
57 2HE LYS 6 HE1 LYS 6 6.462 0.574 3.472
58 1HZ LYS 6 HZ1 LYS 6 6.577 3.129 3.278
59 2HZ LYS 6 HZ2 LYS 6 7.779 2.197 2.538
60 3HZ LYS 6 HZ3 LYS 6 8.093 2.964 4.012
61 H ARG 7 HN ARG 7 0.671 0.207 6.147
62 HA ARG 7 HA ARG 7 0.518 -2.420 5.129
63 1HB ARG 7 HB2 ARG 7 -1.009 -0.751 6.964
64 2HB ARG 7 HB1 ARG 7 -2.049 -1.790 6.000
65 1HG ARG 7 HG2 ARG 7 -1.650 -3.322 7.570
66 2HG ARG 7 HG1 ARG 7 -0.092 -3.525 6.768
67 1HD ARG 7 HD2 ARG 7 0.865 -2.979 8.701
68 2HD ARG 7 HD1 ARG 7 0.264 -1.340 8.453
69 HE ARG 7 HE ARG 7 -1.837 -2.587 9.600
70 1HH1 ARG 7 HH11 ARG 7 1.534 -2.340 10.468
71 2HH1 ARG 7 HH12 ARG 7 1.234 -2.455 12.169
72 1HH2 ARG 7 HH21 ARG 7 -2.234 -2.739 11.837
73 2HH2 ARG 7 HH22 ARG 7 -0.905 -2.683 12.947
74 H LEU 8 HN LEU 8 -1.061 0.601 4.267
75 HA LEU 8 HA LEU 8 -2.863 -0.465 2.367
76 1HB LEU 8 HB2 LEU 8 -1.778 2.231 3.006
77 2HB LEU 8 HB1 LEU 8 -2.500 2.010 1.423
78 HG LEU 8 HG LEU 8 -4.080 1.082 3.758
79 1HD1 LEU 8 HD11 LEU 8 -3.128 3.263 4.472
80 2HD1 LEU 8 HD12 LEU 8 -4.882 3.276 4.294
81 3HD1 LEU 8 HD13 LEU 8 -3.864 4.002 3.051
82 1HD2 LEU 8 HD21 LEU 8 -5.835 1.336 2.355
83 2HD2 LEU 8 HD22 LEU 8 -4.576 1.204 1.128
84 3HD2 LEU 8 HD23 LEU 8 -5.173 2.791 1.612
85 H GLU 9 HN GLU 9 0.407 0.902 2.122
86 HA GLU 9 HA GLU 9 0.645 0.648 -0.676
87 1HB GLU 9 HB2 GLU 9 2.169 1.821 1.171
88 2HB GLU 9 HB1 GLU 9 3.052 0.305 1.050
89 1HG GLU 9 HG2 GLU 9 2.974 0.772 -1.505
90 2HG GLU 9 HG1 GLU 9 2.652 2.431 -1.002
91 H LYS 10 HN LYS 10 0.940 -1.624 1.943
92 HA LYS 10 HA LYS 10 2.360 -3.633 0.504
93 1HB LYS 10 HB2 LYS 10 1.640 -3.273 3.128
94 2HB LYS 10 HB1 LYS 10 0.548 -4.557 2.628
95 1HG LYS 10 HG2 LYS 10 2.840 -5.511 1.620
96 2HG LYS 10 HG1 LYS 10 3.475 -4.584 2.981
97 1HD LYS 10 HD2 LYS 10 3.044 -6.454 4.156
98 2HD LYS 10 HD1 LYS 10 1.383 -5.858 4.150
99 1HE LYS 10 HE2 LYS 10 0.804 -7.245 2.310
100 2HE LYS 10 HE1 LYS 10 2.491 -7.663 2.011
101 1HZ LYS 10 HZ1 LYS 10 0.872 -8.456 4.371
102 2HZ LYS 10 HZ2 LYS 10 2.518 -8.793 4.176
103 3HZ LYS 10 HZ3 LYS 10 1.386 -9.469 3.117
104 H LEU 11 HN LEU 11 -1.030 -2.850 0.995
105 HA LEU 11 HA LEU 11 -2.073 -5.199 -0.223
106 1HB LEU 11 HB2 LEU 11 -3.155 -2.571 0.646
107 2HB LEU 11 HB1 LEU 11 -4.097 -3.483 -0.517
108 HG LEU 11 HG LEU 11 -3.184 -4.652 2.105
109 1HD1 LEU 11 HD11 LEU 11 -4.617 -2.619 2.405
110 2HD1 LEU 11 HD12 LEU 11 -5.297 -4.112 3.053
111 3HD1 LEU 11 HD13 LEU 11 -5.887 -3.466 1.522
112 1HD2 LEU 11 HD21 LEU 11 -5.266 -5.451 0.077
113 2HD2 LEU 11 HD22 LEU 11 -5.066 -6.208 1.657
114 3HD2 LEU 11 HD23 LEU 11 -3.771 -6.304 0.463
115 H PHE 12 HN PHE 12 -1.287 -1.956 -1.387
116 HA PHE 12 HA PHE 12 -2.378 -2.266 -3.976
117 1HB PHE 12 HB2 PHE 12 -1.056 -0.236 -2.530
118 2HB PHE 12 HB1 PHE 12 -0.100 -0.500 -3.984
119 HD1 PHE 12 HD1 PHE 12 -1.336 -0.466 -6.224
120 HD2 PHE 12 HD2 PHE 12 -2.990 1.041 -2.605
121 HE1 PHE 12 HE1 PHE 12 -2.940 0.877 -7.521
122 HE2 PHE 12 HE2 PHE 12 -4.598 2.386 -3.894
123 HZ PHE 12 HZ PHE 12 -4.574 2.304 -6.355
124 H SER 13 HN SER 13 0.754 -3.027 -2.582
125 HA SER 13 HA SER 13 2.170 -3.509 -4.952
126 1HB SER 13 HB2 SER 13 2.546 -4.961 -2.324
127 2HB SER 13 HB1 SER 13 3.752 -4.715 -3.587
128 HG SER 13 HG SER 13 3.505 -2.427 -3.167
129 H LYS 14 HN LYS 14 -0.179 -5.411 -3.227
130 HA LYS 14 HA LYS 14 0.406 -7.914 -4.429
131 1HB LYS 14 HB2 LYS 14 -1.974 -6.786 -2.986
132 2HB LYS 14 HB1 LYS 14 -2.062 -8.366 -3.754
133 1HG LYS 14 HG2 LYS 14 -0.868 -9.345 -2.142
134 2HG LYS 14 HG1 LYS 14 0.296 -8.021 -2.070
135 1HD LYS 14 HD2 LYS 14 -0.964 -6.827 -0.532
136 2HD LYS 14 HD1 LYS 14 -2.459 -7.662 -0.959
137 1HE LYS 14 HE2 LYS 14 -1.154 -9.760 -0.053
138 2HE LYS 14 HE1 LYS 14 -0.230 -8.534 0.815
139 1HZ LYS 14 HZ1 LYS 14 -2.678 -7.717 1.363
140 2HZ LYS 14 HZ2 LYS 14 -1.870 -8.858 2.315
141 3HZ LYS 14 HZ3 LYS 14 -3.001 -9.366 1.164
142 H ILE 15 HN ILE 15 -1.595 -5.181 -5.333
143 HA ILE 15 HA ILE 15 -2.935 -6.524 -7.478
144 HB ILE 15 HB ILE 15 -2.597 -3.543 -7.173
145 1HG1 ILE 15 HG12 ILE 15 -4.696 -5.340 -5.934
146 2HG1 ILE 15 HG11 ILE 15 -3.431 -4.481 -5.061
147 1HG2 ILE 15 HG21 ILE 15 -4.421 -3.318 -8.582
148 2HG2 ILE 15 HG22 ILE 15 -4.979 -4.965 -8.291
149 3HG2 ILE 15 HG23 ILE 15 -3.554 -4.681 -9.291
150 1HD1 ILE 15 HD11 ILE 15 -4.558 -2.551 -5.087
151 2HD1 ILE 15 HD12 ILE 15 -5.955 -3.579 -5.406
152 3HD1 ILE 15 HD13 ILE 15 -5.123 -2.783 -6.742
153 H GLN 16 HN GLN 16 -0.068 -4.507 -7.171
154 HA GLN 16 HA GLN 16 1.643 -4.041 -8.594
155 1HB GLN 16 HB2 GLN 16 1.156 -6.697 -8.882
156 2HB GLN 16 HB1 GLN 16 0.948 -6.148 -10.539
157 1HG GLN 16 HG2 GLN 16 3.137 -5.666 -10.803
158 2HG GLN 16 HG1 GLN 16 3.344 -5.168 -9.124
159 1HE2 GLN 16 HE21 GLN 16 4.274 -6.537 -7.753
160 2HE2 GLN 16 HE22 GLN 16 4.639 -8.193 -8.086
161 H ASN 17 HN ASN 17 -1.203 -3.089 -9.138
162 HA ASN 17 HA ASN 17 -1.070 -2.620 -12.018
163 1HB ASN 17 HB2 ASN 17 -3.192 -2.624 -9.990
164 2HB ASN 17 HB1 ASN 17 -3.309 -1.293 -11.137
165 1HD2 ASN 17 HD21 ASN 17 -2.445 -2.364 -13.444
166 2HD2 ASN 17 HD22 ASN 17 -3.476 -3.659 -13.939
167 H ASP 18 HN ASP 18 0.326 -1.032 -12.505
168 HA ASP 18 HA ASP 18 0.427 1.365 -10.837
169 1HB ASP 18 HB2 ASP 18 2.407 1.958 -12.196
170 2HB ASP 18 HB1 ASP 18 2.567 0.376 -11.439
171 H LYS 19 HN LYS 19 -1.858 0.736 -12.628
172 HA LYS 19 HA LYS 19 -1.637 2.815 -14.667
173 1HB LYS 19 HB2 LYS 19 -3.943 1.968 -15.314
174 2HB LYS 19 HB1 LYS 19 -2.613 0.836 -15.518
175 1HG LYS 19 HG2 LYS 19 -3.271 -0.455 -13.693
176 2HG LYS 19 HG1 LYS 19 -4.285 0.831 -13.034
177 1HD LYS 19 HD2 LYS 19 -4.882 -0.391 -15.706
178 2HD LYS 19 HD1 LYS 19 -5.423 -1.163 -14.214
179 1HE LYS 19 HE2 LYS 19 -5.991 1.727 -14.792
180 2HE LYS 19 HE1 LYS 19 -7.038 0.443 -15.393
181 1HZ LYS 19 HZ1 LYS 19 -7.546 1.554 -13.132
182 2HZ LYS 19 HZ2 LYS 19 -6.335 0.534 -12.538
183 3HZ LYS 19 HZ3 LYS 19 -7.704 -0.124 -13.281
184 1HN NH2 20 NH1 NH2 20 -2.261 4.801 -14.237
185 2HN NH2 20 NH2 NH2 20 -3.450 5.280 -13.078
Start of MODEL 9
1 1H ALA 1 HT1 ALA 1 1.752 7.851 14.757
2 2H ALA 1 HT2 ALA 1 1.133 7.650 16.345
3 3H ALA 1 HT3 ALA 1 0.141 8.317 15.112
4 HA ALA 1 HA ALA 1 1.298 5.643 14.871
5 1HB ALA 1 HB1 ALA 1 -0.979 4.864 15.716
6 2HB ALA 1 HB2 ALA 1 -1.144 6.480 16.402
7 3HB ALA 1 HB3 ALA 1 0.178 5.434 16.918
8 H LYS 2 HN LYS 2 0.788 7.820 12.989
9 HA LYS 2 HA LYS 2 -1.551 6.833 11.525
10 1HB LYS 2 HB2 LYS 2 -0.304 9.412 11.843
11 2HB LYS 2 HB1 LYS 2 -0.396 8.998 10.137
12 1HG LYS 2 HG2 LYS 2 -2.844 8.506 11.691
13 2HG LYS 2 HG1 LYS 2 -2.374 10.197 11.513
14 1HD LYS 2 HD2 LYS 2 -2.416 10.042 9.139
15 2HD LYS 2 HD1 LYS 2 -2.566 8.285 9.194
16 1HE LYS 2 HE2 LYS 2 -4.787 8.362 9.542
17 2HE LYS 2 HE1 LYS 2 -4.668 9.741 10.634
18 1HZ LYS 2 HZ1 LYS 2 -5.870 10.210 8.538
19 2HZ LYS 2 HZ2 LYS 2 -4.436 9.942 7.682
20 3HZ LYS 2 HZ3 LYS 2 -4.535 11.220 8.786
21 H LYS 3 HN LYS 3 0.842 5.252 11.680
22 HA LYS 3 HA LYS 3 2.059 5.494 9.025
23 1HB LYS 3 HB2 LYS 3 3.497 3.591 9.852
24 2HB LYS 3 HB1 LYS 3 3.640 5.087 10.764
25 1HG LYS 3 HG2 LYS 3 2.793 4.183 12.643
26 2HG LYS 3 HG1 LYS 3 1.645 3.169 11.767
27 1HD LYS 3 HD2 LYS 3 3.815 1.897 11.021
28 2HD LYS 3 HD1 LYS 3 4.499 2.645 12.466
29 1HE LYS 3 HE2 LYS 3 3.465 1.187 13.791
30 2HE LYS 3 HE1 LYS 3 1.909 1.512 13.029
31 1HZ LYS 3 HZ1 LYS 3 2.290 -0.733 12.636
32 2HZ LYS 3 HZ2 LYS 3 3.931 -0.511 12.292
33 3HZ LYS 3 HZ3 LYS 3 2.758 -0.004 11.182
34 H VAL 4 HN VAL 4 -0.795 4.499 9.676
35 HA VAL 4 HA VAL 4 -0.971 1.777 9.023
36 HB VAL 4 HB VAL 4 -2.910 3.923 8.138
37 1HG1 VAL 4 HG11 VAL 4 -2.973 0.961 8.250
38 2HG1 VAL 4 HG12 VAL 4 -3.704 2.068 7.089
39 3HG1 VAL 4 HG13 VAL 4 -4.454 1.824 8.666
40 1HG2 VAL 4 HG21 VAL 4 -2.674 2.486 10.774
41 2HG2 VAL 4 HG22 VAL 4 -4.128 3.341 10.257
42 3HG2 VAL 4 HG23 VAL 4 -2.617 4.224 10.480
43 H SER 5 HN SER 5 0.003 4.488 7.286
44 HA SER 5 HA SER 5 -0.501 4.145 4.668
45 1HB SER 5 HB2 SER 5 0.973 5.872 5.852
46 2HB SER 5 HB1 SER 5 2.271 4.691 5.707
47 HG SER 5 HG SER 5 0.762 5.648 3.502
48 H LYS 6 HN LYS 6 1.562 2.233 6.669
49 HA LYS 6 HA LYS 6 3.008 0.834 4.732
50 1HB LYS 6 HB2 LYS 6 2.642 0.705 7.549
51 2HB LYS 6 HB1 LYS 6 2.394 -0.916 6.915
52 1HG LYS 6 HG2 LYS 6 4.740 0.492 5.850
53 2HG LYS 6 HG1 LYS 6 4.798 0.121 7.574
54 1HD LYS 6 HD2 LYS 6 5.417 -1.949 7.041
55 2HD LYS 6 HD1 LYS 6 3.817 -2.193 6.338
56 1HE LYS 6 HE2 LYS 6 5.163 -2.712 4.551
57 2HE LYS 6 HE1 LYS 6 4.873 -0.997 4.266
58 1HZ LYS 6 HZ1 LYS 6 7.040 -0.808 5.731
59 2HZ LYS 6 HZ2 LYS 6 7.117 -1.041 4.058
60 3HZ LYS 6 HZ3 LYS 6 7.320 -2.355 5.104
61 H ARG 7 HN ARG 7 -0.117 0.103 6.259
62 HA ARG 7 HA ARG 7 -0.568 -2.320 4.884
63 1HB ARG 7 HB2 ARG 7 -2.250 -0.385 6.395
64 2HB ARG 7 HB1 ARG 7 -3.079 -1.495 5.312
65 1HG ARG 7 HG2 ARG 7 -3.082 -2.900 7.040
66 2HG ARG 7 HG1 ARG 7 -1.380 -3.163 6.657
67 1HD ARG 7 HD2 ARG 7 -1.244 -0.906 8.164
68 2HD ARG 7 HD1 ARG 7 -2.617 -1.730 8.904
69 HE ARG 7 HE ARG 7 -0.680 -3.651 8.677
70 1HH1 ARG 7 HH11 ARG 7 -0.896 -0.513 10.190
71 2HH1 ARG 7 HH12 ARG 7 0.221 -0.907 11.453
72 1HH2 ARG 7 HH21 ARG 7 0.789 -4.170 10.338
73 2HH2 ARG 7 HH22 ARG 7 1.178 -2.983 11.537
74 H LEU 8 HN LEU 8 -1.364 1.039 4.154
75 HA LEU 8 HA LEU 8 -2.821 0.497 1.783
76 1HB LEU 8 HB2 LEU 8 -1.441 2.938 2.869
77 2HB LEU 8 HB1 LEU 8 -2.152 2.945 1.266
78 HG LEU 8 HG LEU 8 -3.908 2.028 3.466
79 1HD1 LEU 8 HD11 LEU 8 -3.261 4.949 3.120
80 2HD1 LEU 8 HD12 LEU 8 -2.665 3.949 4.445
81 3HD1 LEU 8 HD13 LEU 8 -4.396 4.230 4.262
82 1HD2 LEU 8 HD21 LEU 8 -5.417 3.663 2.133
83 2HD2 LEU 8 HD22 LEU 8 -4.978 2.112 1.417
84 3HD2 LEU 8 HD23 LEU 8 -4.138 3.581 0.922
85 H GLU 9 HN GLU 9 0.579 1.165 2.487
86 HA GLU 9 HA GLU 9 1.434 1.280 -0.209
87 1HB GLU 9 HB2 GLU 9 2.638 1.423 2.368
88 2HB GLU 9 HB1 GLU 9 3.501 0.196 1.451
89 1HG GLU 9 HG2 GLU 9 4.658 2.161 1.010
90 2HG GLU 9 HG1 GLU 9 3.638 1.936 -0.411
91 H LYS 10 HN LYS 10 0.652 -1.319 1.955
92 HA LYS 10 HA LYS 10 1.988 -3.394 0.534
93 1HB LYS 10 HB2 LYS 10 0.624 -3.190 2.942
94 2HB LYS 10 HB1 LYS 10 -0.421 -4.215 1.968
95 1HG LYS 10 HG2 LYS 10 2.516 -4.751 2.281
96 2HG LYS 10 HG1 LYS 10 1.308 -5.375 3.405
97 1HD LYS 10 HD2 LYS 10 1.114 -7.117 2.020
98 2HD LYS 10 HD1 LYS 10 0.277 -6.017 0.922
99 1HE LYS 10 HE2 LYS 10 2.014 -5.920 -0.505
100 2HE LYS 10 HE1 LYS 10 3.206 -5.888 0.794
101 1HZ LYS 10 HZ1 LYS 10 2.328 -8.391 0.988
102 2HZ LYS 10 HZ2 LYS 10 3.649 -7.942 0.033
103 3HZ LYS 10 HZ3 LYS 10 2.126 -8.146 -0.674
104 H LEU 11 HN LEU 11 -1.400 -2.296 0.639
105 HA LEU 11 HA LEU 11 -2.254 -4.061 -1.425
106 1HB LEU 11 HB2 LEU 11 -4.310 -2.680 -1.445
107 2HB LEU 11 HB1 LEU 11 -3.870 -3.262 0.149
108 HG LEU 11 HG LEU 11 -2.740 -0.918 0.397
109 1HD1 LEU 11 HD11 LEU 11 -4.519 -0.587 -1.978
110 2HD1 LEU 11 HD12 LEU 11 -2.906 0.063 -1.684
111 3HD1 LEU 11 HD13 LEU 11 -4.299 0.747 -0.845
112 1HD2 LEU 11 HD21 LEU 11 -5.110 -0.004 0.981
113 2HD2 LEU 11 HD22 LEU 11 -4.441 -1.363 1.884
114 3HD2 LEU 11 HD23 LEU 11 -5.625 -1.649 0.608
115 H PHE 12 HN PHE 12 -0.679 -0.995 -1.409
116 HA PHE 12 HA PHE 12 -1.538 -0.029 -3.922
117 1HB PHE 12 HB2 PHE 12 -0.432 1.408 -2.270
118 2HB PHE 12 HB1 PHE 12 1.054 0.481 -2.445
119 HD1 PHE 12 HD1 PHE 12 2.674 1.653 -3.553
120 HD2 PHE 12 HD2 PHE 12 -1.368 2.032 -4.828
121 HE1 PHE 12 HE1 PHE 12 3.392 3.147 -5.371
122 HE2 PHE 12 HE2 PHE 12 -0.658 3.526 -6.650
123 HZ PHE 12 HZ PHE 12 1.725 4.085 -6.923
124 H SER 13 HN SER 13 1.123 -2.131 -2.942
125 HA SER 13 HA SER 13 2.495 -2.246 -5.372
126 1HB SER 13 HB2 SER 13 2.179 -4.399 -3.265
127 2HB SER 13 HB1 SER 13 3.382 -4.413 -4.554
128 HG SER 13 HG SER 13 4.092 -2.344 -3.652
129 H LYS 14 HN LYS 14 -0.419 -3.843 -4.302
130 HA LYS 14 HA LYS 14 -0.530 -5.815 -6.333
131 1HB LYS 14 HB2 LYS 14 -1.872 -5.603 -4.103
132 2HB LYS 14 HB1 LYS 14 -2.988 -4.649 -5.070
133 1HG LYS 14 HG2 LYS 14 -3.916 -6.731 -5.251
134 2HG LYS 14 HG1 LYS 14 -2.886 -6.701 -6.683
135 1HD LYS 14 HD2 LYS 14 -1.590 -7.674 -4.227
136 2HD LYS 14 HD1 LYS 14 -2.894 -8.692 -4.842
137 1HE LYS 14 HE2 LYS 14 -1.718 -9.322 -6.656
138 2HE LYS 14 HE1 LYS 14 -1.012 -7.722 -6.878
139 1HZ LYS 14 HZ1 LYS 14 0.695 -9.296 -6.320
140 2HZ LYS 14 HZ2 LYS 14 -0.132 -9.779 -4.926
141 3HZ LYS 14 HZ3 LYS 14 0.507 -8.216 -5.030
142 H ILE 15 HN ILE 15 -1.480 -2.460 -6.166
143 HA ILE 15 HA ILE 15 -3.090 -2.495 -8.532
144 HB ILE 15 HB ILE 15 -1.780 -0.093 -7.259
145 1HG1 ILE 15 HG12 ILE 15 -4.500 -1.279 -6.663
146 2HG1 ILE 15 HG11 ILE 15 -3.093 -1.424 -5.614
147 1HG2 ILE 15 HG21 ILE 15 -2.641 0.805 -9.142
148 2HG2 ILE 15 HG22 ILE 15 -4.142 0.765 -8.217
149 3HG2 ILE 15 HG23 ILE 15 -3.786 -0.515 -9.377
150 1HD1 ILE 15 HD11 ILE 15 -4.371 0.308 -4.707
151 2HD1 ILE 15 HD12 ILE 15 -4.675 1.030 -6.287
152 3HD1 ILE 15 HD13 ILE 15 -3.064 1.115 -5.573
153 H GLN 16 HN GLN 16 0.292 -2.000 -7.820
154 HA GLN 16 HA GLN 16 1.038 -0.760 -10.246
155 1HB GLN 16 HB2 GLN 16 2.331 -1.266 -7.936
156 2HB GLN 16 HB1 GLN 16 2.989 -2.560 -8.927
157 1HG GLN 16 HG2 GLN 16 4.512 -0.874 -9.261
158 2HG GLN 16 HG1 GLN 16 3.439 -0.676 -10.646
159 1HE2 GLN 16 HE21 GLN 16 5.113 1.009 -8.495
160 2HE2 GLN 16 HE22 GLN 16 4.119 2.412 -8.330
161 H ASN 17 HN ASN 17 0.832 -4.143 -9.250
162 HA ASN 17 HA ASN 17 2.016 -5.296 -11.512
163 1HB ASN 17 HB2 ASN 17 -0.127 -6.385 -9.676
164 2HB ASN 17 HB1 ASN 17 0.749 -7.346 -10.863
165 1HD2 ASN 17 HD21 ASN 17 3.275 -6.675 -10.647
166 2HD2 ASN 17 HD22 ASN 17 3.883 -6.936 -9.051
167 H ASP 18 HN ASP 18 -1.475 -5.130 -10.782
168 HA ASP 18 HA ASP 18 -2.043 -5.395 -13.636
169 1HB ASP 18 HB2 ASP 18 -3.202 -6.654 -11.593
170 2HB ASP 18 HB1 ASP 18 -4.225 -5.220 -11.614
171 H LYS 19 HN LYS 19 -0.910 -2.965 -12.994
172 HA LYS 19 HA LYS 19 -2.926 -0.973 -12.547
173 1HB LYS 19 HB2 LYS 19 -0.257 -0.969 -12.210
174 2HB LYS 19 HB1 LYS 19 -0.345 -0.205 -13.791
175 1HG LYS 19 HG2 LYS 19 -1.937 0.755 -11.431
176 2HG LYS 19 HG1 LYS 19 -0.314 1.340 -11.801
177 1HD LYS 19 HD2 LYS 19 -1.154 1.967 -14.077
178 2HD LYS 19 HD1 LYS 19 -2.780 1.565 -13.521
179 1HE LYS 19 HE2 LYS 19 -2.891 3.716 -12.904
180 2HE LYS 19 HE1 LYS 19 -1.898 3.218 -11.536
181 1HZ LYS 19 HZ1 LYS 19 -1.221 5.180 -13.175
182 2HZ LYS 19 HZ2 LYS 19 -0.480 3.894 -13.985
183 3HZ LYS 19 HZ3 LYS 19 -0.078 4.222 -12.376
184 1HN NH2 20 NH1 NH2 20 -4.340 -0.348 -14.005
185 2HN NH2 20 NH2 NH2 20 -4.107 -0.306 -15.716
Start of MODEL 10
1 1H ALA 1 HT1 ALA 1 0.025 3.939 16.649
2 2H ALA 1 HT2 ALA 1 -1.504 4.566 16.184
3 3H ALA 1 HT3 ALA 1 -0.092 5.526 16.013
4 HA ALA 1 HA ALA 1 0.766 3.817 14.483
5 1HB ALA 1 HB1 ALA 1 -2.029 2.933 14.038
6 2HB ALA 1 HB2 ALA 1 -1.158 2.240 15.406
7 3HB ALA 1 HB3 ALA 1 -0.512 2.074 13.773
8 H LYS 2 HN LYS 2 0.889 6.166 13.938
9 HA LYS 2 HA LYS 2 -1.278 7.065 12.182
10 1HB LYS 2 HB2 LYS 2 -0.178 9.266 12.276
11 2HB LYS 2 HB1 LYS 2 -0.577 8.660 13.877
12 1HG LYS 2 HG2 LYS 2 1.516 9.116 14.448
13 2HG LYS 2 HG1 LYS 2 1.998 7.745 13.447
14 1HD LYS 2 HD2 LYS 2 1.786 9.614 11.543
15 2HD LYS 2 HD1 LYS 2 2.184 10.652 12.914
16 1HE LYS 2 HE2 LYS 2 4.281 9.797 13.129
17 2HE LYS 2 HE1 LYS 2 3.805 8.198 12.560
18 1HZ LYS 2 HZ1 LYS 2 4.033 10.567 10.789
19 2HZ LYS 2 HZ2 LYS 2 3.825 8.954 10.323
20 3HZ LYS 2 HZ3 LYS 2 5.283 9.449 11.024
21 H LYS 3 HN LYS 3 0.695 4.970 11.471
22 HA LYS 3 HA LYS 3 1.512 6.133 8.915
23 1HB LYS 3 HB2 LYS 3 3.385 5.998 10.866
24 2HB LYS 3 HB1 LYS 3 3.554 4.390 10.175
25 1HG LYS 3 HG2 LYS 3 4.074 5.278 8.031
26 2HG LYS 3 HG1 LYS 3 3.646 6.913 8.541
27 1HD LYS 3 HD2 LYS 3 5.497 6.775 10.224
28 2HD LYS 3 HD1 LYS 3 5.979 5.250 9.478
29 1HE LYS 3 HE2 LYS 3 6.048 6.586 7.283
30 2HE LYS 3 HE1 LYS 3 6.029 8.015 8.315
31 1HZ LYS 3 HZ1 LYS 3 8.073 7.446 9.256
32 2HZ LYS 3 HZ2 LYS 3 8.278 7.121 7.609
33 3HZ LYS 3 HZ3 LYS 3 8.009 5.851 8.693
34 H VAL 4 HN VAL 4 -0.380 3.999 10.143
35 HA VAL 4 HA VAL 4 0.402 1.477 9.192
36 HB VAL 4 HB VAL 4 -2.427 2.535 9.109
37 1HG1 VAL 4 HG11 VAL 4 -1.488 0.165 8.230
38 2HG1 VAL 4 HG12 VAL 4 -3.113 0.401 8.873
39 3HG1 VAL 4 HG13 VAL 4 -1.838 -0.236 9.911
40 1HG2 VAL 4 HG21 VAL 4 -0.769 1.636 11.436
41 2HG2 VAL 4 HG22 VAL 4 -2.520 1.426 11.440
42 3HG2 VAL 4 HG23 VAL 4 -1.826 3.041 11.297
43 H SER 5 HN SER 5 -0.395 4.364 7.665
44 HA SER 5 HA SER 5 -1.477 3.881 5.254
45 1HB SER 5 HB2 SER 5 -0.558 6.055 6.248
46 2HB SER 5 HB1 SER 5 0.997 5.563 5.584
47 HG SER 5 HG SER 5 0.010 5.526 3.513
48 H LYS 6 HN LYS 6 1.689 3.015 6.326
49 HA LYS 6 HA LYS 6 2.887 2.416 3.864
50 1HB LYS 6 HB2 LYS 6 3.972 2.551 6.193
51 2HB LYS 6 HB1 LYS 6 3.440 0.888 6.402
52 1HG LYS 6 HG2 LYS 6 5.730 0.912 5.684
53 2HG LYS 6 HG1 LYS 6 4.721 0.255 4.393
54 1HD LYS 6 HD2 LYS 6 4.797 3.002 3.919
55 2HD LYS 6 HD1 LYS 6 6.444 2.579 4.391
56 1HE LYS 6 HE2 LYS 6 5.954 0.563 2.707
57 2HE LYS 6 HE1 LYS 6 4.875 1.772 2.012
58 1HZ LYS 6 HZ1 LYS 6 6.660 3.223 1.620
59 2HZ LYS 6 HZ2 LYS 6 7.215 1.706 1.118
60 3HZ LYS 6 HZ3 LYS 6 7.720 2.342 2.602
61 H ARG 7 HN ARG 7 1.058 0.371 6.123
62 HA ARG 7 HA ARG 7 1.233 -1.999 4.612
63 1HB ARG 7 HB2 ARG 7 -0.649 -0.996 6.719
64 2HB ARG 7 HB1 ARG 7 -1.026 -2.476 5.848
65 1HG ARG 7 HG2 ARG 7 1.577 -2.036 7.284
66 2HG ARG 7 HG1 ARG 7 0.161 -2.767 8.042
67 1HD ARG 7 HD2 ARG 7 1.225 -3.835 5.456
68 2HD ARG 7 HD1 ARG 7 1.971 -4.294 6.986
69 HE ARG 7 HE ARG 7 -0.883 -4.637 6.936
70 1HH1 ARG 7 HH11 ARG 7 2.192 -6.112 6.196
71 2HH1 ARG 7 HH12 ARG 7 1.580 -7.729 6.291
72 1HH2 ARG 7 HH21 ARG 7 -1.689 -6.763 7.061
73 2HH2 ARG 7 HH22 ARG 7 -0.623 -8.099 6.781
74 H LEU 8 HN LEU 8 -1.087 0.661 4.630
75 HA LEU 8 HA LEU 8 -2.869 -0.445 2.732
76 1HB LEU 8 HB2 LEU 8 -2.351 2.270 3.844
77 2HB LEU 8 HB1 LEU 8 -3.264 2.165 2.351
78 HG LEU 8 HG LEU 8 -4.579 0.337 3.874
79 1HD1 LEU 8 HD11 LEU 8 -4.563 0.768 6.084
80 2HD1 LEU 8 HD12 LEU 8 -4.334 2.501 5.855
81 3HD1 LEU 8 HD13 LEU 8 -2.956 1.407 5.738
82 1HD2 LEU 8 HD21 LEU 8 -4.983 3.246 3.344
83 2HD2 LEU 8 HD22 LEU 8 -6.111 2.387 4.393
84 3HD2 LEU 8 HD23 LEU 8 -5.876 1.855 2.729
85 H GLU 9 HN GLU 9 -0.063 1.709 2.482
86 HA GLU 9 HA GLU 9 -0.215 2.109 -0.308
87 1HB GLU 9 HB2 GLU 9 1.736 2.597 1.832
88 2HB GLU 9 HB1 GLU 9 2.473 2.274 0.269
89 1HG GLU 9 HG2 GLU 9 0.239 4.199 0.290
90 2HG GLU 9 HG1 GLU 9 1.730 4.710 1.080
91 H LYS 10 HN LYS 10 0.962 -0.506 1.661
92 HA LYS 10 HA LYS 10 2.563 -1.760 -0.333
93 1HB LYS 10 HB2 LYS 10 2.406 -2.122 2.288
94 2HB LYS 10 HB1 LYS 10 1.235 -3.347 1.820
95 1HG LYS 10 HG2 LYS 10 2.991 -4.307 0.307
96 2HG LYS 10 HG1 LYS 10 4.137 -3.195 1.057
97 1HD LYS 10 HD2 LYS 10 3.629 -4.176 3.253
98 2HD LYS 10 HD1 LYS 10 2.518 -5.307 2.479
99 1HE LYS 10 HE2 LYS 10 4.550 -5.973 1.040
100 2HE LYS 10 HE1 LYS 10 5.506 -5.163 2.281
101 1HZ LYS 10 HZ1 LYS 10 5.103 -6.782 3.774
102 2HZ LYS 10 HZ2 LYS 10 4.841 -7.727 2.396
103 3HZ LYS 10 HZ3 LYS 10 3.526 -7.068 3.231
104 H LEU 11 HN LEU 11 -0.800 -2.038 0.690
105 HA LEU 11 HA LEU 11 -1.435 -4.238 -0.997
106 1HB LEU 11 HB2 LEU 11 -2.937 -2.313 0.683
107 2HB LEU 11 HB1 LEU 11 -3.834 -3.094 -0.605
108 HG LEU 11 HG LEU 11 -4.026 -4.243 1.588
109 1HD1 LEU 11 HD11 LEU 11 -4.011 -5.334 -0.812
110 2HD1 LEU 11 HD12 LEU 11 -4.116 -6.319 0.646
111 3HD1 LEU 11 HD13 LEU 11 -2.571 -6.134 -0.183
112 1HD2 LEU 11 HD21 LEU 11 -1.410 -3.736 1.918
113 2HD2 LEU 11 HD22 LEU 11 -1.322 -5.394 1.323
114 3HD2 LEU 11 HD23 LEU 11 -2.265 -5.024 2.767
115 H PHE 12 HN PHE 12 -1.561 -0.737 -1.358
116 HA PHE 12 HA PHE 12 -3.020 -0.717 -3.790
117 1HB PHE 12 HB2 PHE 12 -2.324 1.208 -2.053
118 2HB PHE 12 HB1 PHE 12 -1.065 1.457 -3.258
119 HD1 PHE 12 HD1 PHE 12 -1.498 2.942 -4.948
120 HD2 PHE 12 HD2 PHE 12 -4.755 0.920 -3.102
121 HE1 PHE 12 HE1 PHE 12 -3.075 4.229 -6.330
122 HE2 PHE 12 HE2 PHE 12 -6.339 2.202 -4.481
123 HZ PHE 12 HZ PHE 12 -5.499 3.859 -6.098
124 H SER 13 HN SER 13 0.401 -0.945 -3.017
125 HA SER 13 HA SER 13 1.456 -0.474 -5.565
126 1HB SER 13 HB2 SER 13 2.423 -1.996 -3.165
127 2HB SER 13 HB1 SER 13 3.334 -2.063 -4.673
128 HG SER 13 HG SER 13 3.476 -0.207 -2.859
129 H LYS 14 HN LYS 14 0.220 -3.423 -4.073
130 HA LYS 14 HA LYS 14 0.985 -5.202 -6.124
131 1HB LYS 14 HB2 LYS 14 0.186 -5.778 -3.774
132 2HB LYS 14 HB1 LYS 14 -1.447 -5.514 -4.368
133 1HG LYS 14 HG2 LYS 14 -1.420 -7.688 -4.855
134 2HG LYS 14 HG1 LYS 14 -0.435 -7.220 -6.242
135 1HD LYS 14 HD2 LYS 14 0.675 -7.980 -3.543
136 2HD LYS 14 HD1 LYS 14 0.521 -9.092 -4.904
137 1HE LYS 14 HE2 LYS 14 1.893 -7.380 -6.219
138 2HE LYS 14 HE1 LYS 14 2.272 -6.665 -4.653
139 1HZ LYS 14 HZ1 LYS 14 4.007 -8.151 -5.131
140 2HZ LYS 14 HZ2 LYS 14 2.953 -9.376 -5.629
141 3HZ LYS 14 HZ3 LYS 14 3.047 -8.955 -3.993
142 H ILE 15 HN ILE 15 -1.918 -3.260 -5.600
143 HA ILE 15 HA ILE 15 -3.304 -4.306 -7.879
144 HB ILE 15 HB ILE 15 -3.872 -1.722 -6.434
145 1HG1 ILE 15 HG12 ILE 15 -3.668 -3.823 -4.963
146 2HG1 ILE 15 HG11 ILE 15 -5.144 -2.880 -4.831
147 1HG2 ILE 15 HG21 ILE 15 -6.264 -2.775 -7.162
148 2HG2 ILE 15 HG22 ILE 15 -5.234 -3.311 -8.490
149 3HG2 ILE 15 HG23 ILE 15 -5.359 -1.594 -8.109
150 1HD1 ILE 15 HD11 ILE 15 -5.266 -5.460 -4.963
151 2HD1 ILE 15 HD12 ILE 15 -5.026 -5.209 -6.692
152 3HD1 ILE 15 HD13 ILE 15 -6.417 -4.490 -5.881
153 H GLN 16 HN GLN 16 -1.133 -1.644 -7.264
154 HA GLN 16 HA GLN 16 -1.705 -0.123 -9.578
155 1HB GLN 16 HB2 GLN 16 -0.490 0.776 -7.631
156 2HB GLN 16 HB1 GLN 16 0.864 -0.286 -7.992
157 1HG GLN 16 HG2 GLN 16 0.567 0.999 -10.358
158 2HG GLN 16 HG1 GLN 16 0.071 2.252 -9.222
159 1HE2 GLN 16 HE21 GLN 16 2.635 -0.125 -9.781
160 2HE2 GLN 16 HE22 GLN 16 3.919 0.857 -9.171
161 H ASN 17 HN ASN 17 0.223 -2.960 -9.021
162 HA ASN 17 HA ASN 17 1.505 -2.744 -11.634
163 1HB ASN 17 HB2 ASN 17 1.920 -4.425 -9.204
164 2HB ASN 17 HB1 ASN 17 2.431 -5.077 -10.758
165 1HD2 ASN 17 HD21 ASN 17 2.633 -2.080 -8.871
166 2HD2 ASN 17 HD22 ASN 17 4.275 -1.732 -9.280
167 H ASP 18 HN ASP 18 -1.211 -2.970 -11.876
168 HA ASP 18 HA ASP 18 -1.793 -5.777 -12.437
169 1HB ASP 18 HB2 ASP 18 -3.405 -3.338 -11.982
170 2HB ASP 18 HB1 ASP 18 -4.059 -4.481 -13.152
171 H LYS 19 HN LYS 19 0.095 -4.120 -14.056
172 HA LYS 19 HA LYS 19 -1.310 -3.932 -16.610
173 1HB LYS 19 HB2 LYS 19 0.546 -2.299 -15.521
174 2HB LYS 19 HB1 LYS 19 1.589 -3.350 -16.468
175 1HG LYS 19 HG2 LYS 19 1.140 -1.638 -17.941
176 2HG LYS 19 HG1 LYS 19 -0.062 -2.848 -18.396
177 1HD LYS 19 HD2 LYS 19 -1.486 -1.531 -16.568
178 2HD LYS 19 HD1 LYS 19 -0.411 -0.221 -17.062
179 1HE LYS 19 HE2 LYS 19 -1.107 -0.419 -19.341
180 2HE LYS 19 HE1 LYS 19 -2.007 -1.894 -18.993
181 1HZ LYS 19 HZ1 LYS 19 -2.645 0.857 -18.085
182 2HZ LYS 19 HZ2 LYS 19 -3.423 -0.523 -17.491
183 3HZ LYS 19 HZ3 LYS 19 -3.552 -0.120 -19.128
184 1HN NH2 20 NH1 NH2 20 1.640 -5.420 -15.311
185 2HN NH2 20 NH2 NH2 20 1.691 -6.728 -16.439
Start of MODEL 11
1 1H ALA 1 HT1 ALA 1 2.233 4.959 13.957
2 2H ALA 1 HT2 ALA 1 1.752 4.384 12.414
3 3H ALA 1 HT3 ALA 1 2.650 3.370 13.469
4 HA ALA 1 HA ALA 1 0.572 2.576 13.718
5 1HB ALA 1 HB1 ALA 1 0.214 4.602 15.831
6 2HB ALA 1 HB2 ALA 1 1.750 3.736 15.835
7 3HB ALA 1 HB3 ALA 1 0.233 2.842 15.934
8 H LYS 2 HN LYS 2 0.543 6.075 13.394
9 HA LYS 2 HA LYS 2 -2.344 6.038 12.907
10 1HB LYS 2 HB2 LYS 2 -1.509 7.730 14.465
11 2HB LYS 2 HB1 LYS 2 -0.437 8.362 13.223
12 1HG LYS 2 HG2 LYS 2 -2.145 9.359 12.059
13 2HG LYS 2 HG1 LYS 2 -3.364 8.247 12.685
14 1HD LYS 2 HD2 LYS 2 -2.140 9.769 14.817
15 2HD LYS 2 HD1 LYS 2 -2.819 10.832 13.583
16 1HE LYS 2 HE2 LYS 2 -4.420 10.261 15.391
17 2HE LYS 2 HE1 LYS 2 -4.971 9.786 13.785
18 1HZ LYS 2 HZ1 LYS 2 -3.564 7.880 15.549
19 2HZ LYS 2 HZ2 LYS 2 -4.565 7.552 14.226
20 3HZ LYS 2 HZ3 LYS 2 -5.235 8.119 15.672
21 H LYS 3 HN LYS 3 0.430 5.682 11.147
22 HA LYS 3 HA LYS 3 -0.948 6.476 8.686
23 1HB LYS 3 HB2 LYS 3 1.024 7.592 7.800
24 2HB LYS 3 HB1 LYS 3 0.518 8.370 9.293
25 1HG LYS 3 HG2 LYS 3 2.345 6.452 10.112
26 2HG LYS 3 HG1 LYS 3 3.029 7.106 8.623
27 1HD LYS 3 HD2 LYS 3 1.938 9.055 10.568
28 2HD LYS 3 HD1 LYS 3 3.428 8.224 11.020
29 1HE LYS 3 HE2 LYS 3 3.840 10.361 9.856
30 2HE LYS 3 HE1 LYS 3 4.510 8.973 8.999
31 1HZ LYS 3 HZ1 LYS 3 2.579 9.003 7.534
32 2HZ LYS 3 HZ2 LYS 3 3.408 10.477 7.478
33 3HZ LYS 3 HZ3 LYS 3 1.962 10.354 8.347
34 H VAL 4 HN VAL 4 0.063 3.960 10.218
35 HA VAL 4 HA VAL 4 2.021 2.699 8.658
36 HB VAL 4 HB VAL 4 -0.379 1.287 9.828
37 1HG1 VAL 4 HG11 VAL 4 2.397 0.203 9.791
38 2HG1 VAL 4 HG12 VAL 4 1.447 0.183 8.306
39 3HG1 VAL 4 HG13 VAL 4 0.853 -0.648 9.743
40 1HG2 VAL 4 HG21 VAL 4 1.488 1.014 11.749
41 2HG2 VAL 4 HG22 VAL 4 0.247 2.267 11.764
42 3HG2 VAL 4 HG23 VAL 4 1.868 2.638 11.177
43 H SER 5 HN SER 5 -1.137 3.668 8.019
44 HA SER 5 HA SER 5 -2.245 2.071 6.165
45 1HB SER 5 HB2 SER 5 -3.003 4.353 7.050
46 2HB SER 5 HB1 SER 5 -2.011 5.046 5.771
47 HG SER 5 HG SER 5 -3.787 4.798 4.649
48 H LYS 6 HN LYS 6 0.553 4.059 5.800
49 HA LYS 6 HA LYS 6 0.790 4.072 3.010
50 1HB LYS 6 HB2 LYS 6 2.160 5.319 4.882
51 2HB LYS 6 HB1 LYS 6 3.224 3.926 4.748
52 1HG LYS 6 HG2 LYS 6 3.730 4.401 2.495
53 2HG LYS 6 HG1 LYS 6 2.415 5.573 2.371
54 1HD LYS 6 HD2 LYS 6 3.613 7.218 3.362
55 2HD LYS 6 HD1 LYS 6 4.430 6.105 4.461
56 1HE LYS 6 HE2 LYS 6 5.428 5.374 2.012
57 2HE LYS 6 HE1 LYS 6 5.262 7.122 1.852
58 1HZ LYS 6 HZ1 LYS 6 6.845 7.507 3.400
59 2HZ LYS 6 HZ2 LYS 6 7.396 5.988 2.899
60 3HZ LYS 6 HZ3 LYS 6 6.475 6.130 4.311
61 H ARG 7 HN ARG 7 2.111 1.830 5.438
62 HA ARG 7 HA ARG 7 3.417 0.136 3.605
63 1HB ARG 7 HB2 ARG 7 2.711 0.077 6.434
64 2HB ARG 7 HB1 ARG 7 2.610 -1.513 5.690
65 1HG ARG 7 HG2 ARG 7 4.933 -1.139 4.814
66 2HG ARG 7 HG1 ARG 7 5.001 0.302 5.830
67 1HD ARG 7 HD2 ARG 7 4.184 -1.463 7.659
68 2HD ARG 7 HD1 ARG 7 5.039 -2.564 6.580
69 HE ARG 7 HE ARG 7 6.550 -0.219 7.269
70 1HH1 ARG 7 HH11 ARG 7 5.697 -3.460 8.245
71 2HH1 ARG 7 HH12 ARG 7 7.118 -3.677 9.210
72 1HH2 ARG 7 HH21 ARG 7 8.419 -0.503 8.539
73 2HH2 ARG 7 HH22 ARG 7 8.664 -1.999 9.377
74 H LEU 8 HN LEU 8 0.146 0.155 4.929
75 HA LEU 8 HA LEU 8 -0.714 -2.244 3.699
76 1HB LEU 8 HB2 LEU 8 -1.972 0.038 5.082
77 2HB LEU 8 HB1 LEU 8 -2.998 -0.769 3.911
78 HG LEU 8 HG LEU 8 -2.469 -2.935 5.104
79 1HD1 LEU 8 HD11 LEU 8 -1.722 -1.323 7.484
80 2HD1 LEU 8 HD12 LEU 8 -0.474 -1.683 6.291
81 3HD1 LEU 8 HD13 LEU 8 -1.341 -2.998 7.085
82 1HD2 LEU 8 HD21 LEU 8 -3.894 -2.125 7.181
83 2HD2 LEU 8 HD22 LEU 8 -4.594 -2.254 5.568
84 3HD2 LEU 8 HD23 LEU 8 -4.076 -0.683 6.182
85 H GLU 9 HN GLU 9 -0.818 1.167 2.754
86 HA GLU 9 HA GLU 9 -2.234 0.807 0.342
87 1HB GLU 9 HB2 GLU 9 -0.340 2.926 1.333
88 2HB GLU 9 HB1 GLU 9 -1.005 2.991 -0.293
89 1HG GLU 9 HG2 GLU 9 -3.230 2.575 1.257
90 2HG GLU 9 HG1 GLU 9 -2.238 3.630 2.262
91 H LYS 10 HN LYS 10 1.082 0.270 1.242
92 HA LYS 10 HA LYS 10 2.168 0.247 -1.391
93 1HB LYS 10 HB2 LYS 10 3.367 0.398 0.928
94 2HB LYS 10 HB1 LYS 10 3.317 -1.358 0.869
95 1HG LYS 10 HG2 LYS 10 4.380 0.095 -1.493
96 2HG LYS 10 HG1 LYS 10 5.379 -0.002 -0.042
97 1HD LYS 10 HD2 LYS 10 4.656 -2.558 -0.193
98 2HD LYS 10 HD1 LYS 10 4.507 -2.144 -1.903
99 1HE LYS 10 HE2 LYS 10 6.955 -1.801 -0.175
100 2HE LYS 10 HE1 LYS 10 6.725 -3.007 -1.440
101 1HZ LYS 10 HZ1 LYS 10 7.963 -1.344 -2.454
102 2HZ LYS 10 HZ2 LYS 10 7.092 -0.091 -1.722
103 3HZ LYS 10 HZ3 LYS 10 6.384 -1.002 -2.960
104 H LEU 11 HN LEU 11 0.783 -2.187 0.746
105 HA LEU 11 HA LEU 11 1.388 -4.417 -0.915
106 1HB LEU 11 HB2 LEU 11 0.755 -4.356 1.591
107 2HB LEU 11 HB1 LEU 11 -0.903 -4.317 1.023
108 HG LEU 11 HG LEU 11 0.004 -6.442 -0.372
109 1HD1 LEU 11 HD11 LEU 11 1.485 -7.776 0.905
110 2HD1 LEU 11 HD12 LEU 11 1.435 -6.654 2.265
111 3HD1 LEU 11 HD13 LEU 11 2.236 -6.186 0.765
112 1HD2 LEU 11 HD21 LEU 11 -1.179 -6.262 2.381
113 2HD2 LEU 11 HD22 LEU 11 -0.917 -7.811 1.580
114 3HD2 LEU 11 HD23 LEU 11 -1.985 -6.611 0.852
115 H PHE 12 HN PHE 12 -1.386 -2.261 -0.588
116 HA PHE 12 HA PHE 12 -3.153 -3.687 -2.257
117 1HB PHE 12 HB2 PHE 12 -3.321 -1.421 -0.706
118 2HB PHE 12 HB1 PHE 12 -3.441 -0.768 -2.336
119 HD1 PHE 12 HD1 PHE 12 -5.284 -1.951 0.337
120 HD2 PHE 12 HD2 PHE 12 -5.071 -2.223 -3.904
121 HE1 PHE 12 HE1 PHE 12 -7.658 -2.591 0.264
122 HE2 PHE 12 HE2 PHE 12 -7.446 -2.863 -3.986
123 HZ PHE 12 HZ PHE 12 -8.743 -3.047 -1.900
124 H SER 13 HN SER 13 -0.537 -1.486 -2.934
125 HA SER 13 HA SER 13 -1.164 -0.708 -5.531
126 1HB SER 13 HB2 SER 13 1.314 -0.919 -3.923
127 2HB SER 13 HB1 SER 13 1.534 -0.877 -5.672
128 HG SER 13 HG SER 13 0.374 1.054 -3.980
129 H LYS 14 HN LYS 14 0.062 -3.733 -4.307
130 HA LYS 14 HA LYS 14 1.001 -4.807 -6.745
131 1HB LYS 14 HB2 LYS 14 0.487 -5.764 -4.035
132 2HB LYS 14 HB1 LYS 14 0.147 -6.983 -5.256
133 1HG LYS 14 HG2 LYS 14 2.688 -5.531 -5.574
134 2HG LYS 14 HG1 LYS 14 2.568 -6.584 -4.163
135 1HD LYS 14 HD2 LYS 14 1.960 -8.458 -5.595
136 2HD LYS 14 HD1 LYS 14 2.017 -7.410 -7.014
137 1HE LYS 14 HE2 LYS 14 4.088 -8.411 -7.103
138 2HE LYS 14 HE1 LYS 14 4.453 -6.934 -6.212
139 1HZ LYS 14 HZ1 LYS 14 4.532 -8.101 -4.195
140 2HZ LYS 14 HZ2 LYS 14 5.387 -9.069 -5.287
141 3HZ LYS 14 HZ3 LYS 14 3.806 -9.482 -4.850
142 H ILE 15 HN ILE 15 -2.167 -4.639 -5.265
143 HA ILE 15 HA ILE 15 -3.422 -6.506 -7.024
144 HB ILE 15 HB ILE 15 -4.760 -4.301 -5.456
145 1HG1 ILE 15 HG12 ILE 15 -4.173 -7.138 -4.580
146 2HG1 ILE 15 HG11 ILE 15 -3.294 -5.717 -4.026
147 1HG2 ILE 15 HG21 ILE 15 -6.060 -6.910 -5.901
148 2HG2 ILE 15 HG22 ILE 15 -5.862 -5.887 -7.324
149 3HG2 ILE 15 HG23 ILE 15 -6.739 -5.282 -5.919
150 1HD1 ILE 15 HD11 ILE 15 -6.253 -5.864 -3.688
151 2HD1 ILE 15 HD12 ILE 15 -5.060 -4.958 -2.758
152 3HD1 ILE 15 HD13 ILE 15 -5.183 -6.707 -2.568
153 H GLN 16 HN GLN 16 -2.846 -3.052 -7.066
154 HA GLN 16 HA GLN 16 -4.299 -2.848 -9.616
155 1HB GLN 16 HB2 GLN 16 -3.725 -0.901 -7.425
156 2HB GLN 16 HB1 GLN 16 -3.902 -0.292 -9.065
157 1HG GLN 16 HG2 GLN 16 -6.124 -1.151 -9.218
158 2HG GLN 16 HG1 GLN 16 -5.953 -2.004 -7.684
159 1HE2 GLN 16 HE21 GLN 16 -7.409 0.523 -9.025
160 2HE2 GLN 16 HE22 GLN 16 -7.484 1.608 -7.682
161 H ASN 17 HN ASN 17 -1.624 -3.964 -9.312
162 HA ASN 17 HA ASN 17 0.306 -2.043 -10.142
163 1HB ASN 17 HB2 ASN 17 0.404 -4.635 -9.211
164 2HB ASN 17 HB1 ASN 17 0.857 -4.819 -10.903
165 1HD2 ASN 17 HD21 ASN 17 1.567 -2.884 -8.029
166 2HD2 ASN 17 HD22 ASN 17 3.250 -2.686 -8.364
167 H ASP 18 HN ASP 18 -0.002 -0.973 -11.999
168 HA ASP 18 HA ASP 18 -1.014 -2.397 -14.341
169 1HB ASP 18 HB2 ASP 18 -1.620 0.068 -13.404
170 2HB ASP 18 HB1 ASP 18 -0.347 0.479 -14.549
171 H LYS 19 HN LYS 19 1.680 -2.908 -13.345
172 HA LYS 19 HA LYS 19 3.424 -1.642 -15.301
173 1HB LYS 19 HB2 LYS 19 4.199 -1.954 -12.974
174 2HB LYS 19 HB1 LYS 19 4.059 -3.696 -13.174
175 1HG LYS 19 HG2 LYS 19 6.085 -3.808 -14.053
176 2HG LYS 19 HG1 LYS 19 5.663 -2.616 -15.284
177 1HD LYS 19 HD2 LYS 19 6.129 -1.504 -12.607
178 2HD LYS 19 HD1 LYS 19 7.544 -2.254 -13.349
179 1HE LYS 19 HE2 LYS 19 7.753 -0.146 -14.193
180 2HE LYS 19 HE1 LYS 19 6.735 -0.858 -15.444
181 1HZ LYS 19 HZ1 LYS 19 5.489 0.951 -15.031
182 2HZ LYS 19 HZ2 LYS 19 6.098 1.172 -13.469
183 3HZ LYS 19 HZ3 LYS 19 4.887 0.024 -13.750
184 1HN NH2 20 NH1 NH2 20 2.547 -4.952 -14.358
185 2HN NH2 20 NH2 NH2 20 2.845 -5.662 -15.905
Start of MODEL 12
1 1H ALA 1 HT1 ALA 1 -1.797 7.448 14.058
2 2H ALA 1 HT2 ALA 1 -0.492 7.727 15.138
3 3H ALA 1 HT3 ALA 1 -0.687 6.188 14.404
4 HA ALA 1 HA ALA 1 0.247 8.704 13.269
5 1HB ALA 1 HB1 ALA 1 1.229 5.939 13.633
6 2HB ALA 1 HB2 ALA 1 2.093 7.474 13.725
7 3HB ALA 1 HB3 ALA 1 1.713 6.768 12.154
8 H LYS 2 HN LYS 2 0.355 8.934 10.992
9 HA LYS 2 HA LYS 2 -1.861 7.601 9.613
10 1HB LYS 2 HB2 LYS 2 -0.853 10.278 9.643
11 2HB LYS 2 HB1 LYS 2 -0.735 9.655 8.004
12 1HG LYS 2 HG2 LYS 2 -3.218 9.763 9.702
13 2HG LYS 2 HG1 LYS 2 -2.840 10.789 8.318
14 1HD LYS 2 HD2 LYS 2 -2.560 8.223 7.325
15 2HD LYS 2 HD1 LYS 2 -3.954 8.104 8.401
16 1HE LYS 2 HE2 LYS 2 -4.474 10.433 7.093
17 2HE LYS 2 HE1 LYS 2 -3.654 9.504 5.839
18 1HZ LYS 2 HZ1 LYS 2 -6.044 9.152 5.791
19 2HZ LYS 2 HZ2 LYS 2 -6.020 8.595 7.388
20 3HZ LYS 2 HZ3 LYS 2 -5.238 7.714 6.174
21 H LYS 3 HN LYS 3 0.730 6.313 10.060
22 HA LYS 3 HA LYS 3 1.856 6.200 7.349
23 1HB LYS 3 HB2 LYS 3 3.077 6.203 9.810
24 2HB LYS 3 HB1 LYS 3 3.050 4.487 9.427
25 1HG LYS 3 HG2 LYS 3 3.912 6.127 7.185
26 2HG LYS 3 HG1 LYS 3 4.940 6.306 8.608
27 1HD LYS 3 HD2 LYS 3 4.153 3.553 7.837
28 2HD LYS 3 HD1 LYS 3 5.311 4.383 6.796
29 1HE LYS 3 HE2 LYS 3 5.808 4.546 9.703
30 2HE LYS 3 HE1 LYS 3 6.014 2.958 8.965
31 1HZ LYS 3 HZ1 LYS 3 8.093 3.935 8.779
32 2HZ LYS 3 HZ2 LYS 3 7.471 5.460 8.393
33 3HZ LYS 3 HZ3 LYS 3 7.418 4.213 7.252
34 H VAL 4 HN VAL 4 -0.762 4.915 8.470
35 HA VAL 4 HA VAL 4 -0.480 2.126 8.347
36 HB VAL 4 HB VAL 4 -2.586 3.187 9.049
37 1HG1 VAL 4 HG11 VAL 4 -2.285 4.851 6.956
38 2HG1 VAL 4 HG12 VAL 4 -3.819 4.593 7.786
39 3HG1 VAL 4 HG13 VAL 4 -3.470 3.728 6.289
40 1HG2 VAL 4 HG21 VAL 4 -3.855 1.447 8.374
41 2HG2 VAL 4 HG22 VAL 4 -2.336 0.874 7.686
42 3HG2 VAL 4 HG23 VAL 4 -3.505 1.715 6.667
43 H SER 5 HN SER 5 -0.153 4.565 6.055
44 HA SER 5 HA SER 5 -0.786 3.657 3.611
45 1HB SER 5 HB2 SER 5 0.453 5.784 4.309
46 2HB SER 5 HB1 SER 5 1.922 4.817 4.226
47 HG SER 5 HG SER 5 1.353 4.363 2.017
48 H LYS 6 HN LYS 6 1.731 2.487 5.665
49 HA LYS 6 HA LYS 6 3.203 0.989 3.804
50 1HB LYS 6 HB2 LYS 6 3.162 1.345 6.643
51 2HB LYS 6 HB1 LYS 6 3.221 -0.379 6.302
52 1HG LYS 6 HG2 LYS 6 5.084 1.456 4.872
53 2HG LYS 6 HG1 LYS 6 5.417 1.002 6.545
54 1HD LYS 6 HD2 LYS 6 6.542 -0.650 5.404
55 2HD LYS 6 HD1 LYS 6 4.976 -1.421 5.659
56 1HE LYS 6 HE2 LYS 6 5.891 -1.655 3.343
57 2HE LYS 6 HE1 LYS 6 4.286 -0.930 3.431
58 1HZ LYS 6 HZ1 LYS 6 6.634 0.830 3.408
59 2HZ LYS 6 HZ2 LYS 6 5.074 1.112 2.820
60 3HZ LYS 6 HZ3 LYS 6 6.137 0.122 1.954
61 H ARG 7 HN ARG 7 0.501 0.064 5.926
62 HA ARG 7 HA ARG 7 0.342 -2.611 5.042
63 1HB ARG 7 HB2 ARG 7 -1.433 -0.744 6.521
64 2HB ARG 7 HB1 ARG 7 -2.203 -2.127 5.755
65 1HG ARG 7 HG2 ARG 7 -1.292 -3.607 7.193
66 2HG ARG 7 HG1 ARG 7 0.215 -2.700 7.343
67 1HD ARG 7 HD2 ARG 7 -1.277 -0.973 8.602
68 2HD ARG 7 HD1 ARG 7 -2.371 -2.341 8.799
69 HE ARG 7 HE ARG 7 0.141 -1.921 10.130
70 1HH1 ARG 7 HH11 ARG 7 -2.187 -4.311 9.106
71 2HH1 ARG 7 HH12 ARG 7 -1.710 -5.470 10.300
72 1HH2 ARG 7 HH21 ARG 7 0.770 -3.444 11.702
73 2HH2 ARG 7 HH22 ARG 7 -0.031 -4.978 11.775
74 H LEU 8 HN LEU 8 -1.116 0.390 3.924
75 HA LEU 8 HA LEU 8 -2.796 -0.788 1.964
76 1HB LEU 8 HB2 LEU 8 -1.754 1.970 2.484
77 2HB LEU 8 HB1 LEU 8 -2.527 1.626 0.947
78 HG LEU 8 HG LEU 8 -4.013 0.816 3.380
79 1HD1 LEU 8 HD11 LEU 8 -2.905 3.230 3.581
80 2HD1 LEU 8 HD12 LEU 8 -4.531 2.877 4.164
81 3HD1 LEU 8 HD13 LEU 8 -4.305 3.654 2.596
82 1HD2 LEU 8 HD21 LEU 8 -4.882 2.264 0.885
83 2HD2 LEU 8 HD22 LEU 8 -5.906 1.442 2.063
84 3HD2 LEU 8 HD23 LEU 8 -4.818 0.508 1.036
85 H GLU 9 HN GLU 9 0.490 0.540 1.923
86 HA GLU 9 HA GLU 9 0.902 0.217 -0.858
87 1HB GLU 9 HB2 GLU 9 2.325 1.393 1.111
88 2HB GLU 9 HB1 GLU 9 3.223 -0.111 0.962
89 1HG GLU 9 HG2 GLU 9 2.908 0.683 -1.649
90 2HG GLU 9 HG1 GLU 9 3.148 2.205 -0.791
91 H LYS 10 HN LYS 10 0.955 -1.959 1.843
92 HA LYS 10 HA LYS 10 2.458 -4.039 0.610
93 1HB LYS 10 HB2 LYS 10 1.948 -3.719 3.106
94 2HB LYS 10 HB1 LYS 10 0.378 -4.429 2.754
95 1HG LYS 10 HG2 LYS 10 1.516 -6.443 1.897
96 2HG LYS 10 HG1 LYS 10 3.063 -5.731 2.359
97 1HD LYS 10 HD2 LYS 10 1.861 -5.492 4.696
98 2HD LYS 10 HD1 LYS 10 0.877 -6.815 4.067
99 1HE LYS 10 HE2 LYS 10 2.877 -8.146 3.688
100 2HE LYS 10 HE1 LYS 10 3.889 -6.813 4.244
101 1HZ LYS 10 HZ1 LYS 10 1.800 -7.882 6.016
102 2HZ LYS 10 HZ2 LYS 10 3.256 -7.121 6.416
103 3HZ LYS 10 HZ3 LYS 10 3.262 -8.718 5.860
104 H LEU 11 HN LEU 11 -1.031 -3.484 1.073
105 HA LEU 11 HA LEU 11 -1.802 -5.784 -0.417
106 1HB LEU 11 HB2 LEU 11 -4.064 -4.803 -0.360
107 2HB LEU 11 HB1 LEU 11 -3.311 -4.885 1.221
108 HG LEU 11 HG LEU 11 -2.675 -2.425 0.846
109 1HD1 LEU 11 HD11 LEU 11 -3.093 -1.738 -1.252
110 2HD1 LEU 11 HD12 LEU 11 -4.738 -1.520 -0.657
111 3HD1 LEU 11 HD13 LEU 11 -4.304 -2.989 -1.530
112 1HD2 LEU 11 HD21 LEU 11 -4.224 -2.647 2.496
113 2HD2 LEU 11 HD22 LEU 11 -5.332 -3.574 1.484
114 3HD2 LEU 11 HD23 LEU 11 -5.220 -1.824 1.296
115 H PHE 12 HN PHE 12 -0.909 -2.550 -1.279
116 HA PHE 12 HA PHE 12 -2.206 -2.511 -3.823
117 1HB PHE 12 HB2 PHE 12 -0.917 -0.637 -2.247
118 2HB PHE 12 HB1 PHE 12 0.182 -0.839 -3.607
119 HD1 PHE 12 HD1 PHE 12 -1.642 -1.309 -5.832
120 HD2 PHE 12 HD2 PHE 12 -1.958 1.399 -2.565
121 HE1 PHE 12 HE1 PHE 12 -3.060 0.167 -7.198
122 HE2 PHE 12 HE2 PHE 12 -3.377 2.880 -3.924
123 HZ PHE 12 HZ PHE 12 -3.930 2.265 -6.244
124 H SER 13 HN SER 13 1.057 -3.310 -2.711
125 HA SER 13 HA SER 13 2.264 -3.652 -5.207
126 1HB SER 13 HB2 SER 13 3.254 -3.716 -2.767
127 2HB SER 13 HB1 SER 13 2.990 -5.453 -2.925
128 HG SER 13 HG SER 13 4.780 -3.789 -4.257
129 H LYS 14 HN LYS 14 0.253 -5.807 -3.301
130 HA LYS 14 HA LYS 14 0.709 -8.148 -4.831
131 1HB LYS 14 HB2 LYS 14 -1.370 -7.271 -2.866
132 2HB LYS 14 HB1 LYS 14 -1.660 -8.716 -3.826
133 1HG LYS 14 HG2 LYS 14 0.902 -8.407 -2.322
134 2HG LYS 14 HG1 LYS 14 -0.566 -8.926 -1.491
135 1HD LYS 14 HD2 LYS 14 -0.002 -10.325 -4.015
136 2HD LYS 14 HD1 LYS 14 1.175 -10.601 -2.729
137 1HE LYS 14 HE2 LYS 14 -1.641 -10.736 -1.895
138 2HE LYS 14 HE1 LYS 14 -1.138 -11.990 -3.027
139 1HZ LYS 14 HZ1 LYS 14 -0.547 -11.726 -0.258
140 2HZ LYS 14 HZ2 LYS 14 0.876 -11.846 -1.163
141 3HZ LYS 14 HZ3 LYS 14 -0.305 -13.050 -1.282
142 H ILE 15 HN ILE 15 -1.705 -5.570 -4.994
143 HA ILE 15 HA ILE 15 -3.140 -6.770 -7.170
144 HB ILE 15 HB ILE 15 -3.258 -3.896 -6.270
145 1HG1 ILE 15 HG12 ILE 15 -3.591 -5.694 -4.451
146 2HG1 ILE 15 HG11 ILE 15 -4.828 -4.459 -4.622
147 1HG2 ILE 15 HG21 ILE 15 -5.154 -5.666 -7.798
148 2HG2 ILE 15 HG22 ILE 15 -4.350 -4.200 -8.361
149 3HG2 ILE 15 HG23 ILE 15 -5.605 -4.099 -7.126
150 1HD1 ILE 15 HD11 ILE 15 -5.680 -6.776 -4.283
151 2HD1 ILE 15 HD12 ILE 15 -5.017 -7.189 -5.864
152 3HD1 ILE 15 HD13 ILE 15 -6.289 -5.974 -5.730
153 H GLN 16 HN GLN 16 -0.296 -4.886 -6.907
154 HA GLN 16 HA GLN 16 1.162 -4.119 -8.478
155 1HB GLN 16 HB2 GLN 16 0.045 -6.194 -9.749
156 2HB GLN 16 HB1 GLN 16 -0.554 -4.901 -10.778
157 1HG GLN 16 HG2 GLN 16 1.840 -4.118 -10.967
158 2HG GLN 16 HG1 GLN 16 2.298 -5.641 -10.206
159 1HE2 GLN 16 HE21 GLN 16 3.270 -6.673 -11.842
160 2HE2 GLN 16 HE22 GLN 16 2.521 -7.060 -13.350
161 H ASN 17 HN ASN 17 0.828 -1.973 -7.978
162 HA ASN 17 HA ASN 17 -1.337 -0.394 -8.737
163 1HB ASN 17 HB2 ASN 17 0.286 1.533 -8.468
164 2HB ASN 17 HB1 ASN 17 0.158 0.449 -7.086
165 1HD2 ASN 17 HD21 ASN 17 1.873 -0.880 -6.561
166 2HD2 ASN 17 HD22 ASN 17 3.453 -0.662 -7.225
167 H ASP 18 HN ASP 18 -1.958 -0.726 -10.856
168 HA ASP 18 HA ASP 18 -0.032 -0.149 -12.976
169 1HB ASP 18 HB2 ASP 18 -2.723 -1.457 -12.878
170 2HB ASP 18 HB1 ASP 18 -2.154 -0.776 -14.399
171 H LYS 19 HN LYS 19 -1.101 1.954 -11.195
172 HA LYS 19 HA LYS 19 -2.778 3.522 -13.000
173 1HB LYS 19 HB2 LYS 19 -2.443 3.366 -10.152
174 2HB LYS 19 HB1 LYS 19 -2.142 5.015 -10.681
175 1HG LYS 19 HG2 LYS 19 -4.339 5.310 -10.634
176 2HG LYS 19 HG1 LYS 19 -4.422 4.281 -12.065
177 1HD LYS 19 HD2 LYS 19 -4.513 2.313 -10.457
178 2HD LYS 19 HD1 LYS 19 -4.796 3.502 -9.184
179 1HE LYS 19 HE2 LYS 19 -6.658 4.334 -10.861
180 2HE LYS 19 HE1 LYS 19 -6.549 2.673 -11.442
181 1HZ LYS 19 HZ1 LYS 19 -6.691 2.266 -8.821
182 2HZ LYS 19 HZ2 LYS 19 -8.052 2.332 -9.822
183 3HZ LYS 19 HZ3 LYS 19 -7.591 3.694 -8.931
184 1HN NH2 20 NH1 NH2 20 -2.055 6.064 -12.427
185 2HN NH2 20 NH2 NH2 20 -0.463 6.394 -13.012
Start of MODEL 13
1 1H ALA 1 HT1 ALA 1 1.566 7.143 13.736
2 2H ALA 1 HT2 ALA 1 0.813 8.548 13.098
3 3H ALA 1 HT3 ALA 1 1.295 7.278 12.049
4 HA ALA 1 HA ALA 1 -0.240 5.854 13.457
5 1HB ALA 1 HB1 ALA 1 -2.238 7.466 14.064
6 2HB ALA 1 HB2 ALA 1 -0.928 8.630 14.265
7 3HB ALA 1 HB3 ALA 1 -0.937 7.141 15.210
8 H LYS 2 HN LYS 2 -0.345 8.653 11.347
9 HA LYS 2 HA LYS 2 -2.534 7.468 9.806
10 1HB LYS 2 HB2 LYS 2 -2.601 9.620 8.619
11 2HB LYS 2 HB1 LYS 2 -2.768 9.828 10.357
12 1HG LYS 2 HG2 LYS 2 -1.177 11.367 10.197
13 2HG LYS 2 HG1 LYS 2 -0.048 10.036 9.941
14 1HD LYS 2 HD2 LYS 2 -1.011 10.332 7.440
15 2HD LYS 2 HD1 LYS 2 -1.145 11.992 8.024
16 1HE LYS 2 HE2 LYS 2 1.005 11.582 6.920
17 2HE LYS 2 HE1 LYS 2 1.209 11.995 8.622
18 1HZ LYS 2 HZ1 LYS 2 1.087 9.176 7.764
19 2HZ LYS 2 HZ2 LYS 2 1.776 9.831 9.162
20 3HZ LYS 2 HZ3 LYS 2 2.537 10.042 7.667
21 H LYS 3 HN LYS 3 0.268 6.441 9.849
22 HA LYS 3 HA LYS 3 0.877 6.753 6.973
23 1HB LYS 3 HB2 LYS 3 3.203 6.121 7.552
24 2HB LYS 3 HB1 LYS 3 2.693 7.610 8.335
25 1HG LYS 3 HG2 LYS 3 2.264 6.341 10.405
26 2HG LYS 3 HG1 LYS 3 2.874 4.888 9.609
27 1HD LYS 3 HD2 LYS 3 4.659 5.795 10.906
28 2HD LYS 3 HD1 LYS 3 5.021 6.120 9.210
29 1HE LYS 3 HE2 LYS 3 4.174 8.400 9.466
30 2HE LYS 3 HE1 LYS 3 3.802 8.074 11.158
31 1HZ LYS 3 HZ1 LYS 3 6.374 7.404 11.080
32 2HZ LYS 3 HZ2 LYS 3 5.832 8.961 11.460
33 3HZ LYS 3 HZ3 LYS 3 6.359 8.609 9.892
34 H VAL 4 HN VAL 4 -0.873 4.789 8.636
35 HA VAL 4 HA VAL 4 0.238 2.222 8.427
36 HB VAL 4 HB VAL 4 -2.665 2.919 7.948
37 1HG1 VAL 4 HG11 VAL 4 -2.899 0.624 9.105
38 2HG1 VAL 4 HG12 VAL 4 -1.204 0.407 8.669
39 3HG1 VAL 4 HG13 VAL 4 -2.411 0.674 7.411
40 1HG2 VAL 4 HG21 VAL 4 -2.610 2.173 10.531
41 2HG2 VAL 4 HG22 VAL 4 -2.508 3.852 10.002
42 3HG2 VAL 4 HG23 VAL 4 -1.039 2.966 10.411
43 H SER 5 HN SER 5 -0.726 4.496 6.144
44 HA SER 5 HA SER 5 -1.548 3.282 3.896
45 1HB SER 5 HB2 SER 5 -0.935 5.730 4.319
46 2HB SER 5 HB1 SER 5 0.711 5.269 3.896
47 HG SER 5 HG SER 5 -1.553 5.480 2.283
48 H LYS 6 HN LYS 6 1.584 3.080 5.335
49 HA LYS 6 HA LYS 6 3.026 2.011 3.178
50 1HB LYS 6 HB2 LYS 6 3.496 2.542 5.933
51 2HB LYS 6 HB1 LYS 6 3.972 0.876 5.630
52 1HG LYS 6 HG2 LYS 6 5.404 1.642 3.785
53 2HG LYS 6 HG1 LYS 6 4.958 3.309 4.155
54 1HD LYS 6 HD2 LYS 6 5.958 3.135 6.346
55 2HD LYS 6 HD1 LYS 6 6.294 1.421 6.092
56 1HE LYS 6 HE2 LYS 6 7.521 3.773 4.668
57 2HE LYS 6 HE1 LYS 6 8.325 2.615 5.726
58 1HZ LYS 6 HZ1 LYS 6 7.357 0.975 3.886
59 2HZ LYS 6 HZ2 LYS 6 8.880 1.698 3.758
60 3HZ LYS 6 HZ3 LYS 6 7.561 2.357 2.931
61 H ARG 7 HN ARG 7 1.318 0.400 5.857
62 HA ARG 7 HA ARG 7 1.808 -2.230 4.948
63 1HB ARG 7 HB2 ARG 7 -0.127 -0.971 6.845
64 2HB ARG 7 HB1 ARG 7 -0.435 -2.615 6.305
65 1HG ARG 7 HG2 ARG 7 2.074 -2.967 7.005
66 2HG ARG 7 HG1 ARG 7 1.752 -1.557 8.016
67 1HD ARG 7 HD2 ARG 7 0.483 -2.732 9.437
68 2HD ARG 7 HD1 ARG 7 -0.361 -3.563 8.132
69 HE ARG 7 HE ARG 7 1.054 -5.336 8.401
70 1HH1 ARG 7 HH11 ARG 7 2.454 -2.546 9.961
71 2HH1 ARG 7 HH12 ARG 7 3.755 -3.440 10.671
72 1HH2 ARG 7 HH21 ARG 7 2.766 -6.513 9.332
73 2HH2 ARG 7 HH22 ARG 7 3.934 -5.692 10.314
74 H LEU 8 HN LEU 8 -0.735 0.115 4.326
75 HA LEU 8 HA LEU 8 -2.412 -1.602 2.819
76 1HB LEU 8 HB2 LEU 8 -2.160 1.335 3.223
77 2HB LEU 8 HB1 LEU 8 -3.026 0.795 1.796
78 HG LEU 8 HG LEU 8 -4.285 -0.712 3.602
79 1HD1 LEU 8 HD11 LEU 8 -4.662 0.665 5.639
80 2HD1 LEU 8 HD12 LEU 8 -3.319 1.693 5.137
81 3HD1 LEU 8 HD13 LEU 8 -3.035 -0.005 5.517
82 1HD2 LEU 8 HD21 LEU 8 -5.903 1.276 3.821
83 2HD2 LEU 8 HD22 LEU 8 -5.555 0.654 2.208
84 3HD2 LEU 8 HD23 LEU 8 -4.767 2.127 2.774
85 H GLU 9 HN GLU 9 0.244 0.587 2.014
86 HA GLU 9 HA GLU 9 0.073 0.346 -0.787
87 1HB GLU 9 HB2 GLU 9 2.131 1.227 1.164
88 2HB GLU 9 HB1 GLU 9 2.706 0.779 -0.436
89 1HG GLU 9 HG2 GLU 9 0.393 2.480 -0.626
90 2HG GLU 9 HG1 GLU 9 1.645 3.227 0.365
91 H LYS 10 HN LYS 10 1.346 -1.743 1.688
92 HA LYS 10 HA LYS 10 2.988 -3.343 0.003
93 1HB LYS 10 HB2 LYS 10 2.257 -3.259 2.771
94 2HB LYS 10 HB1 LYS 10 2.031 -4.899 2.180
95 1HG LYS 10 HG2 LYS 10 4.493 -4.083 1.152
96 2HG LYS 10 HG1 LYS 10 4.459 -3.496 2.816
97 1HD LYS 10 HD2 LYS 10 4.056 -5.685 3.663
98 2HD LYS 10 HD1 LYS 10 3.762 -6.323 2.043
99 1HE LYS 10 HE2 LYS 10 6.031 -6.158 1.452
100 2HE LYS 10 HE1 LYS 10 6.395 -5.104 2.817
101 1HZ LYS 10 HZ1 LYS 10 7.181 -7.398 3.129
102 2HZ LYS 10 HZ2 LYS 10 5.584 -7.950 3.058
103 3HZ LYS 10 HZ3 LYS 10 6.070 -6.931 4.317
104 H LEU 11 HN LEU 11 -0.357 -3.581 1.131
105 HA LEU 11 HA LEU 11 -0.884 -6.083 -0.118
106 1HB LEU 11 HB2 LEU 11 -2.159 -4.718 1.772
107 2HB LEU 11 HB1 LEU 11 -3.075 -4.133 0.396
108 HG LEU 11 HG LEU 11 -3.527 -6.543 -0.204
109 1HD1 LEU 11 HD11 LEU 11 -2.961 -7.338 2.579
110 2HD1 LEU 11 HD12 LEU 11 -1.564 -7.154 1.519
111 3HD1 LEU 11 HD13 LEU 11 -2.859 -8.270 1.086
112 1HD2 LEU 11 HD21 LEU 11 -5.026 -6.768 2.001
113 2HD2 LEU 11 HD22 LEU 11 -5.406 -5.650 0.690
114 3HD2 LEU 11 HD23 LEU 11 -4.576 -5.068 2.134
115 H PHE 12 HN PHE 12 -1.058 -2.746 -1.136
116 HA PHE 12 HA PHE 12 -2.658 -3.135 -3.439
117 1HB PHE 12 HB2 PHE 12 -1.747 -0.948 -2.137
118 2HB PHE 12 HB1 PHE 12 -0.629 -0.978 -3.497
119 HD1 PHE 12 HD1 PHE 12 -3.763 0.130 -2.374
120 HD2 PHE 12 HD2 PHE 12 -1.748 -1.276 -5.849
121 HE1 PHE 12 HE1 PHE 12 -5.470 1.196 -3.790
122 HE2 PHE 12 HE2 PHE 12 -3.450 -0.212 -7.271
123 HZ PHE 12 HZ PHE 12 -5.314 1.026 -6.242
124 H SER 13 HN SER 13 0.722 -3.609 -2.778
125 HA SER 13 HA SER 13 1.787 -3.501 -5.350
126 1HB SER 13 HB2 SER 13 2.555 -4.810 -2.798
127 2HB SER 13 HB1 SER 13 3.320 -5.424 -4.263
128 HG SER 13 HG SER 13 3.226 -2.666 -3.642
129 H LYS 14 HN LYS 14 -0.072 -5.999 -3.762
130 HA LYS 14 HA LYS 14 0.478 -8.078 -5.615
131 1HB LYS 14 HB2 LYS 14 -1.261 -7.659 -3.314
132 2HB LYS 14 HB1 LYS 14 -2.037 -8.616 -4.568
133 1HG LYS 14 HG2 LYS 14 -0.989 -10.142 -3.112
134 2HG LYS 14 HG1 LYS 14 0.011 -10.078 -4.565
135 1HD LYS 14 HD2 LYS 14 1.708 -8.924 -3.505
136 2HD LYS 14 HD1 LYS 14 0.632 -8.274 -2.267
137 1HE LYS 14 HE2 LYS 14 0.877 -10.069 -0.934
138 2HE LYS 14 HE1 LYS 14 0.855 -11.200 -2.287
139 1HZ LYS 14 HZ1 LYS 14 3.149 -9.661 -1.227
140 2HZ LYS 14 HZ2 LYS 14 3.182 -10.365 -2.764
141 3HZ LYS 14 HZ3 LYS 14 2.996 -11.338 -1.393
142 H ILE 15 HN ILE 15 -1.811 -5.444 -5.528
143 HA ILE 15 HA ILE 15 -3.411 -6.467 -7.700
144 HB ILE 15 HB ILE 15 -3.423 -3.645 -6.643
145 1HG1 ILE 15 HG12 ILE 15 -5.045 -5.991 -5.631
146 2HG1 ILE 15 HG11 ILE 15 -3.663 -5.296 -4.790
147 1HG2 ILE 15 HG21 ILE 15 -5.575 -3.477 -7.562
148 2HG2 ILE 15 HG22 ILE 15 -5.714 -5.222 -7.773
149 3HG2 ILE 15 HG23 ILE 15 -4.618 -4.294 -8.797
150 1HD1 ILE 15 HD11 ILE 15 -6.416 -4.442 -4.839
151 2HD1 ILE 15 HD12 ILE 15 -5.321 -3.134 -5.287
152 3HD1 ILE 15 HD13 ILE 15 -5.106 -3.977 -3.753
153 H GLN 16 HN GLN 16 -0.606 -4.479 -7.336
154 HA GLN 16 HA GLN 16 0.611 -3.185 -8.769
155 1HB GLN 16 HB2 GLN 16 1.453 -4.374 -10.595
156 2HB GLN 16 HB1 GLN 16 0.938 -5.629 -9.480
157 1HG GLN 16 HG2 GLN 16 -1.226 -4.988 -11.235
158 2HG GLN 16 HG1 GLN 16 0.228 -5.291 -12.181
159 1HE2 GLN 16 HE21 GLN 16 0.303 -7.296 -12.855
160 2HE2 GLN 16 HE22 GLN 16 -0.184 -8.696 -11.968
161 H ASN 17 HN ASN 17 -2.134 -2.384 -8.615
162 HA ASN 17 HA ASN 17 -2.832 -1.619 -11.342
163 1HB ASN 17 HB2 ASN 17 -4.380 -2.351 -9.211
164 2HB ASN 17 HB1 ASN 17 -4.493 -0.595 -9.139
165 1HD2 ASN 17 HD21 ASN 17 -5.924 -3.262 -10.329
166 2HD2 ASN 17 HD22 ASN 17 -6.737 -2.587 -11.695
167 H ASP 18 HN ASP 18 -0.877 -0.409 -8.971
168 HA ASP 18 HA ASP 18 -1.554 2.391 -9.441
169 1HB ASP 18 HB2 ASP 18 -0.779 1.162 -7.170
170 2HB ASP 18 HB1 ASP 18 0.791 1.689 -7.769
171 H LYS 19 HN LYS 19 -0.418 0.714 -11.572
172 HA LYS 19 HA LYS 19 2.268 1.816 -11.896
173 1HB LYS 19 HB2 LYS 19 0.733 -0.407 -13.148
174 2HB LYS 19 HB1 LYS 19 1.966 0.380 -14.124
175 1HG LYS 19 HG2 LYS 19 2.598 -0.601 -11.371
176 2HG LYS 19 HG1 LYS 19 2.599 -1.701 -12.750
177 1HD LYS 19 HD2 LYS 19 4.556 -0.918 -13.492
178 2HD LYS 19 HD1 LYS 19 4.044 0.759 -13.301
179 1HE LYS 19 HE2 LYS 19 4.877 -0.947 -10.970
180 2HE LYS 19 HE1 LYS 19 6.036 -0.012 -11.914
181 1HZ LYS 19 HZ1 LYS 19 3.876 0.946 -10.158
182 2HZ LYS 19 HZ2 LYS 19 4.429 1.928 -11.419
183 3HZ LYS 19 HZ3 LYS 19 5.500 1.420 -10.212
184 1HN NH2 20 NH1 NH2 20 0.379 3.764 -11.937
185 2HN NH2 20 NH2 NH2 20 0.194 4.391 -13.536
Start of MODEL 14
1 1H ALA 1 HT1 ALA 1 1.099 8.723 14.705
2 2H ALA 1 HT2 ALA 1 -0.557 8.273 14.665
3 3H ALA 1 HT3 ALA 1 0.429 8.051 13.278
4 HA ALA 1 HA ALA 1 1.833 6.591 14.742
5 1HB ALA 1 HB1 ALA 1 0.374 7.461 16.750
6 2HB ALA 1 HB2 ALA 1 0.994 5.810 16.722
7 3HB ALA 1 HB3 ALA 1 -0.680 6.131 16.269
8 H LYS 2 HN LYS 2 -1.423 6.831 13.510
9 HA LYS 2 HA LYS 2 -1.448 4.012 12.752
10 1HB LYS 2 HB2 LYS 2 -3.444 5.570 13.657
11 2HB LYS 2 HB1 LYS 2 -3.653 5.819 11.929
12 1HG LYS 2 HG2 LYS 2 -3.301 3.018 12.656
13 2HG LYS 2 HG1 LYS 2 -4.718 3.768 13.394
14 1HD LYS 2 HD2 LYS 2 -4.160 4.147 10.478
15 2HD LYS 2 HD1 LYS 2 -4.924 2.663 11.049
16 1HE LYS 2 HE2 LYS 2 -6.427 4.469 12.344
17 2HE LYS 2 HE1 LYS 2 -5.976 5.423 10.932
18 1HZ LYS 2 HZ1 LYS 2 -7.915 4.367 10.284
19 2HZ LYS 2 HZ2 LYS 2 -7.515 2.910 11.043
20 3HZ LYS 2 HZ3 LYS 2 -6.721 3.368 9.622
21 H LYS 3 HN LYS 3 0.552 5.330 11.467
22 HA LYS 3 HA LYS 3 -0.463 6.006 8.795
23 1HB LYS 3 HB2 LYS 3 1.787 6.858 10.391
24 2HB LYS 3 HB1 LYS 3 2.353 6.231 8.850
25 1HG LYS 3 HG2 LYS 3 1.993 8.345 8.179
26 2HG LYS 3 HG1 LYS 3 0.332 7.776 7.995
27 1HD LYS 3 HD2 LYS 3 -0.176 8.590 10.262
28 2HD LYS 3 HD1 LYS 3 1.475 9.199 10.399
29 1HE LYS 3 HE2 LYS 3 0.237 11.075 9.776
30 2HE LYS 3 HE1 LYS 3 0.955 10.521 8.264
31 1HZ LYS 3 HZ1 LYS 3 -1.201 10.834 7.632
32 2HZ LYS 3 HZ2 LYS 3 -1.840 10.418 9.142
33 3HZ LYS 3 HZ3 LYS 3 -1.282 9.209 8.099
34 H VAL 4 HN VAL 4 -0.022 3.208 10.159
35 HA VAL 4 HA VAL 4 1.913 1.834 8.659
36 HB VAL 4 HB VAL 4 0.761 0.770 10.550
37 1HG1 VAL 4 HG11 VAL 4 -1.431 1.256 10.678
38 2HG1 VAL 4 HG12 VAL 4 -1.617 -0.196 9.694
39 3HG1 VAL 4 HG13 VAL 4 -1.611 1.394 8.929
40 1HG2 VAL 4 HG21 VAL 4 -0.110 -1.007 8.370
41 2HG2 VAL 4 HG22 VAL 4 0.995 -1.309 9.711
42 3HG2 VAL 4 HG23 VAL 4 1.562 -0.452 8.278
43 H SER 5 HN SER 5 -0.990 3.318 7.843
44 HA SER 5 HA SER 5 -2.125 2.081 5.748
45 1HB SER 5 HB2 SER 5 -2.621 4.371 6.784
46 2HB SER 5 HB1 SER 5 -1.412 5.003 5.672
47 HG SER 5 HG SER 5 -2.710 4.016 3.967
48 H LYS 6 HN LYS 6 0.969 3.609 5.825
49 HA LYS 6 HA LYS 6 1.466 3.810 3.071
50 1HB LYS 6 HB2 LYS 6 2.818 4.652 5.202
51 2HB LYS 6 HB1 LYS 6 3.712 3.164 4.927
52 1HG LYS 6 HG2 LYS 6 4.877 4.885 3.805
53 2HG LYS 6 HG1 LYS 6 4.065 3.929 2.563
54 1HD LYS 6 HD2 LYS 6 2.196 5.632 2.660
55 2HD LYS 6 HD1 LYS 6 3.275 6.626 3.642
56 1HE LYS 6 HE2 LYS 6 4.557 7.197 1.881
57 2HE LYS 6 HE1 LYS 6 4.458 5.591 1.160
58 1HZ LYS 6 HZ1 LYS 6 2.486 6.101 0.095
59 2HZ LYS 6 HZ2 LYS 6 3.345 7.552 -0.035
60 3HZ LYS 6 HZ3 LYS 6 2.125 7.394 1.125
61 H ARG 7 HN ARG 7 2.266 1.238 5.399
62 HA ARG 7 HA ARG 7 3.429 -0.497 3.494
63 1HB ARG 7 HB2 ARG 7 2.157 -0.998 6.186
64 2HB ARG 7 HB1 ARG 7 2.864 -2.286 5.220
65 1HG ARG 7 HG2 ARG 7 4.392 0.160 6.068
66 2HG ARG 7 HG1 ARG 7 4.337 -1.329 7.013
67 1HD ARG 7 HD2 ARG 7 5.242 -2.559 5.082
68 2HD ARG 7 HD1 ARG 7 5.340 -1.047 4.182
69 HE ARG 7 HE ARG 7 6.746 -0.967 6.680
70 1HH1 ARG 7 HH11 ARG 7 6.962 -1.906 3.326
71 2HH1 ARG 7 HH12 ARG 7 8.690 -1.801 3.278
72 1HH2 ARG 7 HH21 ARG 7 9.019 -0.827 6.618
73 2HH2 ARG 7 HH22 ARG 7 9.858 -1.189 5.147
74 H LEU 8 HN LEU 8 0.148 -0.058 4.690
75 HA LEU 8 HA LEU 8 -1.005 -2.249 3.318
76 1HB LEU 8 HB2 LEU 8 -2.045 0.252 4.582
77 2HB LEU 8 HB1 LEU 8 -3.107 -0.660 3.527
78 HG LEU 8 HG LEU 8 -1.752 -1.766 5.988
79 1HD1 LEU 8 HD11 LEU 8 -3.338 -0.503 6.988
80 2HD1 LEU 8 HD12 LEU 8 -4.367 -1.866 6.546
81 3HD1 LEU 8 HD13 LEU 8 -4.342 -0.417 5.541
82 1HD2 LEU 8 HD21 LEU 8 -3.679 -2.936 3.998
83 2HD2 LEU 8 HD22 LEU 8 -3.454 -3.606 5.614
84 3HD2 LEU 8 HD23 LEU 8 -2.100 -3.551 4.486
85 H GLU 9 HN GLU 9 -0.475 1.153 2.518
86 HA GLU 9 HA GLU 9 -1.853 1.168 0.062
87 1HB GLU 9 HB2 GLU 9 -0.973 3.168 1.367
88 2HB GLU 9 HB1 GLU 9 0.608 2.798 0.693
89 1HG GLU 9 HG2 GLU 9 -0.189 3.173 -1.536
90 2HG GLU 9 HG1 GLU 9 -1.843 3.365 -0.956
91 H LYS 10 HN LYS 10 1.258 -0.067 1.006
92 HA LYS 10 HA LYS 10 2.415 -0.198 -1.585
93 1HB LYS 10 HB2 LYS 10 3.477 -0.464 0.814
94 2HB LYS 10 HB1 LYS 10 3.115 -2.166 0.557
95 1HG LYS 10 HG2 LYS 10 4.448 -0.919 -1.715
96 2HG LYS 10 HG1 LYS 10 5.397 -0.873 -0.228
97 1HD LYS 10 HD2 LYS 10 4.468 -3.428 -0.188
98 2HD LYS 10 HD1 LYS 10 4.640 -3.152 -1.922
99 1HE LYS 10 HE2 LYS 10 6.695 -4.065 -1.110
100 2HE LYS 10 HE1 LYS 10 6.966 -2.366 -1.495
101 1HZ LYS 10 HZ1 LYS 10 6.214 -3.066 1.249
102 2HZ LYS 10 HZ2 LYS 10 7.202 -1.812 0.688
103 3HZ LYS 10 HZ3 LYS 10 7.797 -3.394 0.747
104 H LEU 11 HN LEU 11 0.453 -2.402 0.344
105 HA LEU 11 HA LEU 11 0.653 -4.607 -1.442
106 1HB LEU 11 HB2 LEU 11 -0.882 -3.922 0.975
107 2HB LEU 11 HB1 LEU 11 -1.688 -5.034 -0.115
108 HG LEU 11 HG LEU 11 -0.480 -6.267 1.581
109 1HD1 LEU 11 HD11 LEU 11 0.504 -7.828 0.197
110 2HD1 LEU 11 HD12 LEU 11 1.189 -6.604 -0.872
111 3HD1 LEU 11 HD13 LEU 11 -0.539 -6.952 -0.923
112 1HD2 LEU 11 HD21 LEU 11 2.068 -5.055 0.537
113 2HD2 LEU 11 HD22 LEU 11 1.849 -6.085 1.952
114 3HD2 LEU 11 HD23 LEU 11 1.220 -4.437 1.955
115 H PHE 12 HN PHE 12 -1.612 -1.932 -1.076
116 HA PHE 12 HA PHE 12 -3.502 -2.897 -2.974
117 1HB PHE 12 HB2 PHE 12 -3.500 -0.894 -1.108
118 2HB PHE 12 HB1 PHE 12 -3.361 0.020 -2.606
119 HD1 PHE 12 HD1 PHE 12 -5.653 -0.815 -0.334
120 HD2 PHE 12 HD2 PHE 12 -4.981 -1.336 -4.504
121 HE1 PHE 12 HE1 PHE 12 -8.076 -1.045 -0.692
122 HE2 PHE 12 HE2 PHE 12 -7.403 -1.567 -4.870
123 HZ PHE 12 HZ PHE 12 -8.954 -1.421 -2.962
124 H SER 13 HN SER 13 -0.647 -0.865 -3.157
125 HA SER 13 HA SER 13 -1.020 0.204 -5.716
126 1HB SER 13 HB2 SER 13 1.300 -0.235 -3.914
127 2HB SER 13 HB1 SER 13 1.663 0.030 -5.620
128 HG SER 13 HG SER 13 1.270 2.057 -5.301
129 H LYS 14 HN LYS 14 0.233 -2.903 -4.660
130 HA LYS 14 HA LYS 14 1.262 -3.730 -7.166
131 1HB LYS 14 HB2 LYS 14 1.756 -4.726 -4.872
132 2HB LYS 14 HB1 LYS 14 0.216 -5.562 -5.013
133 1HG LYS 14 HG2 LYS 14 1.359 -6.225 -7.371
134 2HG LYS 14 HG1 LYS 14 2.782 -6.087 -6.337
135 1HD LYS 14 HD2 LYS 14 0.342 -7.766 -5.754
136 2HD LYS 14 HD1 LYS 14 1.884 -8.373 -6.363
137 1HE LYS 14 HE2 LYS 14 2.982 -7.958 -4.361
138 2HE LYS 14 HE1 LYS 14 1.780 -6.781 -3.832
139 1HZ LYS 14 HZ1 LYS 14 0.946 -9.567 -4.206
140 2HZ LYS 14 HZ2 LYS 14 0.365 -8.406 -3.122
141 3HZ LYS 14 HZ3 LYS 14 1.843 -9.173 -2.826
142 H ILE 15 HN ILE 15 -1.915 -3.825 -5.716
143 HA ILE 15 HA ILE 15 -3.017 -5.619 -7.680
144 HB ILE 15 HB ILE 15 -4.540 -3.824 -5.795
145 1HG1 ILE 15 HG12 ILE 15 -3.540 -6.643 -5.331
146 2HG1 ILE 15 HG11 ILE 15 -2.908 -5.196 -4.554
147 1HG2 ILE 15 HG21 ILE 15 -6.007 -6.066 -6.055
148 2HG2 ILE 15 HG22 ILE 15 -5.236 -6.012 -7.640
149 3HG2 ILE 15 HG23 ILE 15 -6.199 -4.645 -7.081
150 1HD1 ILE 15 HD11 ILE 15 -4.696 -6.768 -3.399
151 2HD1 ILE 15 HD12 ILE 15 -5.806 -5.723 -4.286
152 3HD1 ILE 15 HD13 ILE 15 -4.665 -5.024 -3.137
153 H GLN 16 HN GLN 16 -2.729 -2.165 -7.251
154 HA GLN 16 HA GLN 16 -4.555 -1.591 -9.436
155 1HB GLN 16 HB2 GLN 16 -4.282 -0.181 -7.308
156 2HB GLN 16 HB1 GLN 16 -2.789 0.402 -8.031
157 1HG GLN 16 HG2 GLN 16 -4.192 2.024 -8.749
158 2HG GLN 16 HG1 GLN 16 -4.392 0.881 -10.076
159 1HE2 GLN 16 HE21 GLN 16 -6.235 2.904 -9.214
160 2HE2 GLN 16 HE22 GLN 16 -7.689 2.097 -8.745
161 H ASN 17 HN ASN 17 -1.112 -1.692 -8.799
162 HA ASN 17 HA ASN 17 -0.212 -0.341 -11.091
163 1HB ASN 17 HB2 ASN 17 0.986 -2.290 -9.176
164 2HB ASN 17 HB1 ASN 17 1.836 -1.984 -10.687
165 1HD2 ASN 17 HD21 ASN 17 3.014 -1.368 -8.323
166 2HD2 ASN 17 HD22 ASN 17 3.109 0.346 -8.135
167 H ASP 18 HN ASP 18 1.212 -1.593 -12.763
168 HA ASP 18 HA ASP 18 -0.570 -3.520 -14.045
169 1HB ASP 18 HB2 ASP 18 0.618 -1.374 -15.108
170 2HB ASP 18 HB1 ASP 18 1.893 -2.552 -15.406
171 H LYS 19 HN LYS 19 1.004 -4.363 -11.782
172 HA LYS 19 HA LYS 19 3.123 -6.006 -12.923
173 1HB LYS 19 HB2 LYS 19 2.314 -5.178 -10.188
174 2HB LYS 19 HB1 LYS 19 3.107 -6.739 -10.344
175 1HG LYS 19 HG2 LYS 19 5.029 -5.708 -11.373
176 2HG LYS 19 HG1 LYS 19 4.227 -4.136 -11.363
177 1HD LYS 19 HD2 LYS 19 5.483 -3.929 -9.467
178 2HD LYS 19 HD1 LYS 19 4.033 -4.660 -8.775
179 1HE LYS 19 HE2 LYS 19 5.617 -6.026 -7.863
180 2HE LYS 19 HE1 LYS 19 5.311 -6.896 -9.366
181 1HZ LYS 19 HZ1 LYS 19 7.332 -6.382 -10.178
182 2HZ LYS 19 HZ2 LYS 19 7.737 -6.206 -8.546
183 3HZ LYS 19 HZ3 LYS 19 7.365 -4.843 -9.475
184 1HN NH2 20 NH1 NH2 20 2.430 -7.776 -13.916
185 2HN NH2 20 NH2 NH2 20 1.272 -8.899 -13.297
Start of MODEL 15
1 1H ALA 1 HT1 ALA 1 2.478 6.164 14.724
2 2H ALA 1 HT2 ALA 1 3.214 4.983 15.729
3 3H ALA 1 HT3 ALA 1 1.535 5.310 15.873
4 HA ALA 1 HA ALA 1 2.705 4.379 13.362
5 1HB ALA 1 HB1 ALA 1 1.440 2.389 15.135
6 2HB ALA 1 HB2 ALA 1 3.056 2.926 15.593
7 3HB ALA 1 HB3 ALA 1 2.780 2.215 14.002
8 H LYS 2 HN LYS 2 0.651 6.292 13.839
9 HA LYS 2 HA LYS 2 -1.829 4.812 13.368
10 1HB LYS 2 HB2 LYS 2 -1.343 7.026 14.887
11 2HB LYS 2 HB1 LYS 2 -1.926 7.756 13.398
12 1HG LYS 2 HG2 LYS 2 -3.959 7.449 14.255
13 2HG LYS 2 HG1 LYS 2 -3.744 5.756 13.806
14 1HD LYS 2 HD2 LYS 2 -2.986 6.937 16.477
15 2HD LYS 2 HD1 LYS 2 -4.486 6.067 16.153
16 1HE LYS 2 HE2 LYS 2 -2.020 4.677 15.350
17 2HE LYS 2 HE1 LYS 2 -2.220 4.914 17.085
18 1HZ LYS 2 HZ1 LYS 2 -3.249 2.856 15.774
19 2HZ LYS 2 HZ2 LYS 2 -4.547 3.932 15.644
20 3HZ LYS 2 HZ3 LYS 2 -3.957 3.502 17.169
21 H LYS 3 HN LYS 3 0.381 5.081 11.384
22 HA LYS 3 HA LYS 3 -1.297 5.918 9.147
23 1HB LYS 3 HB2 LYS 3 0.399 7.781 10.094
24 2HB LYS 3 HB1 LYS 3 1.502 6.916 9.033
25 1HG LYS 3 HG2 LYS 3 0.149 7.355 7.130
26 2HG LYS 3 HG1 LYS 3 -1.162 7.979 8.133
27 1HD LYS 3 HD2 LYS 3 0.145 9.887 8.764
28 2HD LYS 3 HD1 LYS 3 1.580 9.223 7.980
29 1HE LYS 3 HE2 LYS 3 0.258 9.288 5.820
30 2HE LYS 3 HE1 LYS 3 -0.937 10.249 6.689
31 1HZ LYS 3 HZ1 LYS 3 1.830 11.137 6.872
32 2HZ LYS 3 HZ2 LYS 3 0.409 12.044 6.737
33 3HZ LYS 3 HZ3 LYS 3 1.083 11.320 5.365
34 H VAL 4 HN VAL 4 0.106 3.442 10.344
35 HA VAL 4 HA VAL 4 2.057 2.559 8.524
36 HB VAL 4 HB VAL 4 -0.041 0.832 9.856
37 1HG1 VAL 4 HG11 VAL 4 2.172 -0.679 9.783
38 2HG1 VAL 4 HG12 VAL 4 2.435 0.298 8.339
39 3HG1 VAL 4 HG13 VAL 4 0.968 -0.667 8.495
40 1HG2 VAL 4 HG21 VAL 4 2.367 2.180 10.932
41 2HG2 VAL 4 HG22 VAL 4 2.080 0.517 11.443
42 3HG2 VAL 4 HG23 VAL 4 0.854 1.751 11.730
43 H SER 5 HN SER 5 -1.229 3.198 8.243
44 HA SER 5 HA SER 5 -2.334 1.609 6.378
45 1HB SER 5 HB2 SER 5 -3.257 3.712 7.502
46 2HB SER 5 HB1 SER 5 -2.463 4.612 6.214
47 HG SER 5 HG SER 5 -4.332 2.526 5.756
48 H LYS 6 HN LYS 6 0.187 3.921 5.917
49 HA LYS 6 HA LYS 6 0.135 4.138 3.123
50 1HB LYS 6 HB2 LYS 6 1.691 5.183 5.163
51 2HB LYS 6 HB1 LYS 6 2.828 4.188 4.264
52 1HG LYS 6 HG2 LYS 6 2.327 5.383 2.227
53 2HG LYS 6 HG1 LYS 6 1.083 6.323 3.054
54 1HD LYS 6 HD2 LYS 6 3.835 6.353 4.178
55 2HD LYS 6 HD1 LYS 6 3.538 7.258 2.692
56 1HE LYS 6 HE2 LYS 6 1.401 7.970 4.247
57 2HE LYS 6 HE1 LYS 6 2.692 7.811 5.438
58 1HZ LYS 6 HZ1 LYS 6 3.115 9.916 4.822
59 2HZ LYS 6 HZ2 LYS 6 2.358 9.763 3.318
60 3HZ LYS 6 HZ3 LYS 6 3.936 9.192 3.532
61 H ARG 7 HN ARG 7 1.915 1.923 5.257
62 HA ARG 7 HA ARG 7 3.241 0.497 3.227
63 1HB ARG 7 HB2 ARG 7 3.356 0.421 5.910
64 2HB ARG 7 HB1 ARG 7 2.332 -0.981 5.634
65 1HG ARG 7 HG2 ARG 7 4.030 -2.221 4.895
66 2HG ARG 7 HG1 ARG 7 4.669 -0.913 3.898
67 1HD ARG 7 HD2 ARG 7 5.350 0.067 6.258
68 2HD ARG 7 HD1 ARG 7 5.280 -1.634 6.718
69 HE ARG 7 HE ARG 7 6.814 -1.128 4.336
70 1HH1 ARG 7 HH11 ARG 7 6.901 -1.299 7.821
71 2HH1 ARG 7 HH12 ARG 7 8.603 -1.608 7.888
72 1HH2 ARG 7 HH21 ARG 7 9.052 -1.535 4.422
73 2HH2 ARG 7 HH22 ARG 7 9.825 -1.742 5.958
74 H LEU 8 HN LEU 8 0.114 0.023 4.813
75 HA LEU 8 HA LEU 8 -0.598 -2.344 3.448
76 1HB LEU 8 HB2 LEU 8 -2.122 -0.218 4.910
77 2HB LEU 8 HB1 LEU 8 -2.994 -1.423 3.980
78 HG LEU 8 HG LEU 8 -1.780 -3.183 5.337
79 1HD1 LEU 8 HD11 LEU 8 -1.085 -2.223 7.633
80 2HD1 LEU 8 HD12 LEU 8 -0.889 -0.706 6.756
81 3HD1 LEU 8 HD13 LEU 8 0.048 -2.124 6.285
82 1HD2 LEU 8 HD21 LEU 8 -3.669 -1.253 6.671
83 2HD2 LEU 8 HD22 LEU 8 -3.244 -2.832 7.330
84 3HD2 LEU 8 HD23 LEU 8 -4.081 -2.719 5.782
85 H GLU 9 HN GLU 9 -1.198 1.095 2.811
86 HA GLU 9 HA GLU 9 -2.731 0.707 0.469
87 1HB GLU 9 HB2 GLU 9 -2.099 2.870 1.980
88 2HB GLU 9 HB1 GLU 9 -1.024 3.121 0.611
89 1HG GLU 9 HG2 GLU 9 -2.894 3.078 -0.914
90 2HG GLU 9 HG1 GLU 9 -3.998 2.707 0.409
91 H LYS 10 HN LYS 10 0.677 0.618 1.137
92 HA LYS 10 HA LYS 10 1.577 0.967 -1.544
93 1HB LYS 10 HB2 LYS 10 2.951 1.217 0.592
94 2HB LYS 10 HB1 LYS 10 3.028 -0.539 0.630
95 1HG LYS 10 HG2 LYS 10 5.028 0.210 -0.375
96 2HG LYS 10 HG1 LYS 10 4.027 -0.444 -1.672
97 1HD LYS 10 HD2 LYS 10 4.954 1.590 -2.477
98 2HD LYS 10 HD1 LYS 10 3.256 1.910 -2.119
99 1HE LYS 10 HE2 LYS 10 4.043 3.684 -0.994
100 2HE LYS 10 HE1 LYS 10 4.437 2.508 0.260
101 1HZ LYS 10 HZ1 LYS 10 6.473 3.405 0.027
102 2HZ LYS 10 HZ2 LYS 10 6.193 3.949 -1.550
103 3HZ LYS 10 HZ3 LYS 10 6.598 2.330 -1.274
104 H LEU 11 HN LEU 11 0.693 -1.798 0.445
105 HA LEU 11 HA LEU 11 1.518 -3.784 -1.416
106 1HB LEU 11 HB2 LEU 11 0.852 -3.872 1.171
107 2HB LEU 11 HB1 LEU 11 -0.692 -4.346 0.488
108 HG LEU 11 HG LEU 11 0.741 -6.085 -0.843
109 1HD1 LEU 11 HD11 LEU 11 2.572 -5.194 1.346
110 2HD1 LEU 11 HD12 LEU 11 2.933 -5.538 -0.346
111 3HD1 LEU 11 HD13 LEU 11 2.605 -6.861 0.773
112 1HD2 LEU 11 HD21 LEU 11 0.607 -7.611 1.215
113 2HD2 LEU 11 HD22 LEU 11 -0.888 -6.893 0.617
114 3HD2 LEU 11 HD23 LEU 11 -0.089 -6.213 2.035
115 H PHE 12 HN PHE 12 -1.541 -2.136 -0.762
116 HA PHE 12 HA PHE 12 -3.131 -3.678 -2.514
117 1HB PHE 12 HB2 PHE 12 -3.908 -2.067 -0.684
118 2HB PHE 12 HB1 PHE 12 -3.624 -0.778 -1.849
119 HD1 PHE 12 HD1 PHE 12 -5.809 -3.475 -0.833
120 HD2 PHE 12 HD2 PHE 12 -4.962 -0.673 -3.922
121 HE1 PHE 12 HE1 PHE 12 -8.050 -3.846 -1.779
122 HE2 PHE 12 HE2 PHE 12 -7.202 -1.038 -4.873
123 HZ PHE 12 HZ PHE 12 -8.749 -2.626 -3.801
124 H SER 13 HN SER 13 -1.376 -0.629 -2.961
125 HA SER 13 HA SER 13 -2.207 -0.069 -5.566
126 1HB SER 13 HB2 SER 13 -0.151 1.294 -5.737
127 2HB SER 13 HB1 SER 13 -0.982 1.556 -4.205
128 HG SER 13 HG SER 13 0.538 0.319 -3.176
129 H LYS 14 HN LYS 14 0.178 -2.305 -4.350
130 HA LYS 14 HA LYS 14 1.503 -2.798 -6.810
131 1HB LYS 14 HB2 LYS 14 1.965 -3.493 -4.216
132 2HB LYS 14 HB1 LYS 14 1.382 -5.016 -4.871
133 1HG LYS 14 HG2 LYS 14 3.266 -5.379 -6.008
134 2HG LYS 14 HG1 LYS 14 3.356 -3.710 -6.573
135 1HD LYS 14 HD2 LYS 14 3.904 -4.099 -3.708
136 2HD LYS 14 HD1 LYS 14 5.083 -4.821 -4.805
137 1HE LYS 14 HE2 LYS 14 5.739 -2.793 -5.653
138 2HE LYS 14 HE1 LYS 14 4.187 -2.028 -5.312
139 1HZ LYS 14 HZ1 LYS 14 4.812 -1.483 -3.233
140 2HZ LYS 14 HZ2 LYS 14 6.373 -1.597 -3.874
141 3HZ LYS 14 HZ3 LYS 14 5.722 -2.891 -3.000
142 H ILE 15 HN ILE 15 -1.401 -4.037 -5.320
143 HA ILE 15 HA ILE 15 -1.689 -6.296 -7.049
144 HB ILE 15 HB ILE 15 -3.868 -4.909 -5.488
145 1HG1 ILE 15 HG12 ILE 15 -2.074 -7.173 -4.586
146 2HG1 ILE 15 HG11 ILE 15 -1.908 -5.500 -4.064
147 1HG2 ILE 15 HG21 ILE 15 -5.196 -6.677 -5.932
148 2HG2 ILE 15 HG22 ILE 15 -3.861 -7.828 -5.887
149 3HG2 ILE 15 HG23 ILE 15 -4.136 -6.853 -7.330
150 1HD1 ILE 15 HD11 ILE 15 -4.123 -7.426 -3.466
151 2HD1 ILE 15 HD12 ILE 15 -4.292 -5.688 -3.220
152 3HD1 ILE 15 HD13 ILE 15 -3.056 -6.587 -2.341
153 H GLN 16 HN GLN 16 -2.655 -2.939 -7.151
154 HA GLN 16 HA GLN 16 -4.206 -3.420 -9.595
155 1HB GLN 16 HB2 GLN 16 -3.992 -0.896 -7.944
156 2HB GLN 16 HB1 GLN 16 -5.090 -1.171 -9.290
157 1HG GLN 16 HG2 GLN 16 -5.278 -3.133 -7.118
158 2HG GLN 16 HG1 GLN 16 -5.736 -1.487 -6.685
159 1HE2 GLN 16 HE21 GLN 16 -7.613 -3.416 -6.585
160 2HE2 GLN 16 HE22 GLN 16 -8.750 -3.227 -7.872
161 H ASN 17 HN ASN 17 -1.299 -3.551 -9.528
162 HA ASN 17 HA ASN 17 -0.409 -1.127 -10.861
163 1HB ASN 17 HB2 ASN 17 0.938 -2.633 -9.188
164 2HB ASN 17 HB1 ASN 17 1.269 -3.599 -10.622
165 1HD2 ASN 17 HD21 ASN 17 2.064 -0.820 -8.849
166 2HD2 ASN 17 HD22 ASN 17 3.227 -0.162 -9.945
167 H ASP 18 HN ASP 18 0.708 -1.240 -12.944
168 HA ASP 18 HA ASP 18 -0.745 -2.985 -14.782
169 1HB ASP 18 HB2 ASP 18 0.202 -1.469 -16.540
170 2HB ASP 18 HB1 ASP 18 -0.815 -0.652 -15.357
171 H LYS 19 HN LYS 19 1.188 -4.289 -13.261
172 HA LYS 19 HA LYS 19 3.509 -4.607 -15.006
173 1HB LYS 19 HB2 LYS 19 3.239 -4.639 -12.262
174 2HB LYS 19 HB1 LYS 19 3.351 -6.349 -12.657
175 1HG LYS 19 HG2 LYS 19 5.546 -6.161 -12.833
176 2HG LYS 19 HG1 LYS 19 5.343 -5.004 -14.149
177 1HD LYS 19 HD2 LYS 19 4.919 -3.912 -11.451
178 2HD LYS 19 HD1 LYS 19 6.566 -4.449 -11.791
179 1HE LYS 19 HE2 LYS 19 6.250 -3.106 -14.001
180 2HE LYS 19 HE1 LYS 19 4.957 -2.303 -13.111
181 1HZ LYS 19 HZ1 LYS 19 6.838 -2.084 -11.320
182 2HZ LYS 19 HZ2 LYS 19 6.710 -0.971 -12.588
183 3HZ LYS 19 HZ3 LYS 19 7.850 -2.217 -12.670
184 1HN NH2 20 NH1 NH2 20 1.182 -5.446 -16.180
185 2HN NH2 20 NH2 NH2 20 1.177 -7.168 -16.317
Start of MODEL 16
1 1H ALA 1 HT1 ALA 1 2.558 2.094 14.138
2 2H ALA 1 HT2 ALA 1 1.363 2.102 12.906
3 3H ALA 1 HT3 ALA 1 0.934 1.700 14.518
4 HA ALA 1 HA ALA 1 1.225 3.834 15.267
5 1HB ALA 1 HB1 ALA 1 3.341 4.041 13.748
6 2HB ALA 1 HB2 ALA 1 2.460 5.484 14.247
7 3HB ALA 1 HB3 ALA 1 2.218 4.818 12.632
8 H LYS 2 HN LYS 2 0.388 6.057 13.884
9 HA LYS 2 HA LYS 2 -2.277 5.206 13.049
10 1HB LYS 2 HB2 LYS 2 -1.189 7.480 14.452
11 2HB LYS 2 HB1 LYS 2 -2.152 8.015 13.082
12 1HG LYS 2 HG2 LYS 2 -4.042 6.698 13.889
13 2HG LYS 2 HG1 LYS 2 -3.076 6.156 15.264
14 1HD LYS 2 HD2 LYS 2 -4.026 7.910 16.310
15 2HD LYS 2 HD1 LYS 2 -2.788 8.843 15.465
16 1HE LYS 2 HE2 LYS 2 -4.307 9.447 13.738
17 2HE LYS 2 HE1 LYS 2 -5.515 8.297 14.312
18 1HZ LYS 2 HZ1 LYS 2 -5.199 9.808 16.478
19 2HZ LYS 2 HZ2 LYS 2 -6.355 10.124 15.285
20 3HZ LYS 2 HZ3 LYS 2 -4.884 10.959 15.279
21 H LYS 3 HN LYS 3 0.297 5.199 11.372
22 HA LYS 3 HA LYS 3 -0.965 6.317 8.983
23 1HB LYS 3 HB2 LYS 3 1.069 7.456 8.273
24 2HB LYS 3 HB1 LYS 3 0.524 8.098 9.816
25 1HG LYS 3 HG2 LYS 3 2.285 7.169 10.978
26 2HG LYS 3 HG1 LYS 3 2.574 5.931 9.755
27 1HD LYS 3 HD2 LYS 3 2.987 8.845 9.164
28 2HD LYS 3 HD1 LYS 3 4.247 7.872 9.927
29 1HE LYS 3 HE2 LYS 3 4.325 6.387 8.052
30 2HE LYS 3 HE1 LYS 3 2.909 7.146 7.327
31 1HZ LYS 3 HZ1 LYS 3 5.090 7.822 6.356
32 2HZ LYS 3 HZ2 LYS 3 5.455 8.586 7.819
33 3HZ LYS 3 HZ3 LYS 3 4.136 9.110 6.898
34 H VAL 4 HN VAL 4 -0.101 3.626 10.254
35 HA VAL 4 HA VAL 4 1.879 2.467 8.644
36 HB VAL 4 HB VAL 4 0.934 1.291 10.588
37 1HG1 VAL 4 HG11 VAL 4 -1.244 0.606 10.789
38 2HG1 VAL 4 HG12 VAL 4 -1.502 0.544 9.045
39 3HG1 VAL 4 HG13 VAL 4 -1.462 2.099 9.875
40 1HG2 VAL 4 HG21 VAL 4 1.701 -0.557 9.625
41 2HG2 VAL 4 HG22 VAL 4 1.448 0.154 8.031
42 3HG2 VAL 4 HG23 VAL 4 0.157 -0.770 8.799
43 H SER 5 HN SER 5 -1.216 3.618 8.002
44 HA SER 5 HA SER 5 -2.307 2.272 5.950
45 1HB SER 5 HB2 SER 5 -3.022 4.472 7.046
46 2HB SER 5 HB1 SER 5 -1.954 5.260 5.890
47 HG SER 5 HG SER 5 -3.438 5.020 4.428
48 H LYS 6 HN LYS 6 0.573 4.176 5.896
49 HA LYS 6 HA LYS 6 0.915 4.465 3.130
50 1HB LYS 6 HB2 LYS 6 2.291 5.323 5.306
51 2HB LYS 6 HB1 LYS 6 3.362 4.048 4.741
52 1HG LYS 6 HG2 LYS 6 3.647 5.102 2.635
53 2HG LYS 6 HG1 LYS 6 2.351 6.254 2.965
54 1HD LYS 6 HD2 LYS 6 3.650 7.325 4.670
55 2HD LYS 6 HD1 LYS 6 4.892 6.074 4.578
56 1HE LYS 6 HE2 LYS 6 5.076 6.802 2.093
57 2HE LYS 6 HE1 LYS 6 4.265 8.269 2.642
58 1HZ LYS 6 HZ1 LYS 6 6.889 7.992 2.662
59 2HZ LYS 6 HZ2 LYS 6 6.558 7.380 4.203
60 3HZ LYS 6 HZ3 LYS 6 6.069 8.947 3.793
61 H ARG 7 HN ARG 7 2.097 1.963 5.366
62 HA ARG 7 HA ARG 7 3.383 0.400 3.399
63 1HB ARG 7 HB2 ARG 7 2.374 -0.100 6.170
64 2HB ARG 7 HB1 ARG 7 2.817 -1.479 5.172
65 1HG ARG 7 HG2 ARG 7 5.059 -0.574 4.892
66 2HG ARG 7 HG1 ARG 7 4.619 0.833 5.862
67 1HD ARG 7 HD2 ARG 7 4.385 -0.466 7.819
68 2HD ARG 7 HD1 ARG 7 4.402 -1.976 6.909
69 HE ARG 7 HE ARG 7 6.823 -0.904 6.365
70 1HH1 ARG 7 HH11 ARG 7 5.116 -1.546 9.341
71 2HH1 ARG 7 HH12 ARG 7 6.560 -1.807 10.259
72 1HH2 ARG 7 HH21 ARG 7 8.724 -1.247 7.572
73 2HH2 ARG 7 HH22 ARG 7 8.609 -1.637 9.255
74 H LEU 8 HN LEU 8 0.103 0.452 4.676
75 HA LEU 8 HA LEU 8 -0.842 -1.821 3.282
76 1HB LEU 8 HB2 LEU 8 -2.107 0.523 4.634
77 2HB LEU 8 HB1 LEU 8 -3.096 -0.461 3.571
78 HG LEU 8 HG LEU 8 -1.909 -2.364 5.143
79 1HD1 LEU 8 HD11 LEU 8 -0.923 -1.159 6.803
80 2HD1 LEU 8 HD12 LEU 8 -2.547 -1.292 7.476
81 3HD1 LEU 8 HD13 LEU 8 -2.053 0.187 6.651
82 1HD2 LEU 8 HD21 LEU 8 -4.098 -2.441 6.308
83 2HD2 LEU 8 HD22 LEU 8 -4.238 -2.344 4.552
84 3HD2 LEU 8 HD23 LEU 8 -4.519 -0.910 5.540
85 H GLU 9 HN GLU 9 -0.768 1.645 2.556
86 HA GLU 9 HA GLU 9 -2.169 1.513 0.114
87 1HB GLU 9 HB2 GLU 9 -1.244 3.541 1.625
88 2HB GLU 9 HB1 GLU 9 0.006 3.514 0.389
89 1HG GLU 9 HG2 GLU 9 -1.985 3.523 -1.268
90 2HG GLU 9 HG1 GLU 9 -2.907 4.102 0.119
91 H LYS 10 HN LYS 10 1.108 0.755 1.005
92 HA LYS 10 HA LYS 10 2.214 0.837 -1.618
93 1HB LYS 10 HB2 LYS 10 3.100 0.138 1.053
94 2HB LYS 10 HB1 LYS 10 3.692 -1.021 -0.129
95 1HG LYS 10 HG2 LYS 10 4.896 0.593 -1.294
96 2HG LYS 10 HG1 LYS 10 3.982 1.923 -0.581
97 1HD LYS 10 HD2 LYS 10 6.077 1.960 0.493
98 2HD LYS 10 HD1 LYS 10 4.975 1.207 1.648
99 1HE LYS 10 HE2 LYS 10 6.464 -0.547 -0.237
100 2HE LYS 10 HE1 LYS 10 7.347 0.170 1.110
101 1HZ LYS 10 HZ1 LYS 10 4.797 -1.083 1.746
102 2HZ LYS 10 HZ2 LYS 10 6.249 -1.082 2.613
103 3HZ LYS 10 HZ3 LYS 10 6.052 -2.126 1.297
104 H LEU 11 HN LEU 11 0.726 -1.671 0.367
105 HA LEU 11 HA LEU 11 1.233 -3.806 -1.443
106 1HB LEU 11 HB2 LEU 11 -0.093 -3.429 1.099
107 2HB LEU 11 HB1 LEU 11 -1.046 -4.461 0.050
108 HG LEU 11 HG LEU 11 0.497 -5.707 1.545
109 1HD1 LEU 11 HD11 LEU 11 0.768 -7.338 0.013
110 2HD1 LEU 11 HD12 LEU 11 1.567 -6.271 -1.142
111 3HD1 LEU 11 HD13 LEU 11 -0.190 -6.255 -0.996
112 1HD2 LEU 11 HD21 LEU 11 2.341 -4.138 1.607
113 2HD2 LEU 11 HD22 LEU 11 2.625 -4.365 -0.118
114 3HD2 LEU 11 HD23 LEU 11 2.898 -5.699 1.003
115 H PHE 12 HN PHE 12 -1.389 -1.507 -1.015
116 HA PHE 12 HA PHE 12 -3.301 -2.734 -2.658
117 1HB PHE 12 HB2 PHE 12 -3.166 -0.414 -1.154
118 2HB PHE 12 HB1 PHE 12 -3.318 0.185 -2.802
119 HD1 PHE 12 HD1 PHE 12 -5.002 -1.319 -0.012
120 HD2 PHE 12 HD2 PHE 12 -5.262 -0.580 -4.195
121 HE1 PHE 12 HE1 PHE 12 -7.425 -1.743 0.068
122 HE2 PHE 12 HE2 PHE 12 -7.685 -1.002 -4.123
123 HZ PHE 12 HZ PHE 12 -8.769 -1.584 -1.990
124 H SER 13 HN SER 13 -0.507 -0.775 -3.407
125 HA SER 13 HA SER 13 -1.131 -0.062 -6.042
126 1HB SER 13 HB2 SER 13 1.360 -0.295 -4.439
127 2HB SER 13 HB1 SER 13 1.545 -0.265 -6.192
128 HG SER 13 HG SER 13 0.304 1.688 -6.176
129 H LYS 14 HN LYS 14 0.369 -2.970 -4.715
130 HA LYS 14 HA LYS 14 1.071 -4.170 -7.159
131 1HB LYS 14 HB2 LYS 14 0.701 -5.086 -4.360
132 2HB LYS 14 HB1 LYS 14 0.650 -6.324 -5.608
133 1HG LYS 14 HG2 LYS 14 2.850 -5.814 -6.328
134 2HG LYS 14 HG1 LYS 14 2.898 -4.346 -5.350
135 1HD LYS 14 HD2 LYS 14 4.178 -6.048 -4.239
136 2HD LYS 14 HD1 LYS 14 2.699 -5.768 -3.317
137 1HE LYS 14 HE2 LYS 14 1.808 -7.803 -3.866
138 2HE LYS 14 HE1 LYS 14 2.677 -7.892 -5.397
139 1HZ LYS 14 HZ1 LYS 14 4.313 -7.954 -2.996
140 2HZ LYS 14 HZ2 LYS 14 4.460 -8.838 -4.430
141 3HZ LYS 14 HZ3 LYS 14 3.338 -9.313 -3.257
142 H ILE 15 HN ILE 15 -1.932 -4.033 -5.372
143 HA ILE 15 HA ILE 15 -3.271 -6.081 -6.836
144 HB ILE 15 HB ILE 15 -4.538 -3.793 -5.335
145 1HG1 ILE 15 HG12 ILE 15 -2.781 -5.157 -4.055
146 2HG1 ILE 15 HG11 ILE 15 -4.376 -5.020 -3.332
147 1HG2 ILE 15 HG21 ILE 15 -6.141 -5.936 -4.965
148 2HG2 ILE 15 HG22 ILE 15 -5.519 -6.269 -6.581
149 3HG2 ILE 15 HG23 ILE 15 -6.354 -4.751 -6.252
150 1HD1 ILE 15 HD11 ILE 15 -4.648 -7.220 -3.340
151 2HD1 ILE 15 HD12 ILE 15 -2.945 -7.341 -3.783
152 3HD1 ILE 15 HD13 ILE 15 -4.184 -7.342 -5.037
153 H GLN 16 HN GLN 16 -2.835 -2.630 -7.244
154 HA GLN 16 HA GLN 16 -4.744 -2.546 -9.446
155 1HB GLN 16 HB2 GLN 16 -4.035 -0.694 -7.550
156 2HB GLN 16 HB1 GLN 16 -3.116 -0.153 -8.948
157 1HG GLN 16 HG2 GLN 16 -6.000 -0.806 -9.283
158 2HG GLN 16 HG1 GLN 16 -5.545 0.711 -8.507
159 1HE2 GLN 16 HE21 GLN 16 -5.654 -1.082 -11.449
160 2HE2 GLN 16 HE22 GLN 16 -5.155 0.196 -12.499
161 H ASN 17 HN ASN 17 -1.389 -1.401 -9.020
162 HA ASN 17 HA ASN 17 -0.870 -1.413 -11.820
163 1HB ASN 17 HB2 ASN 17 0.684 -0.869 -9.348
164 2HB ASN 17 HB1 ASN 17 1.607 -1.319 -10.779
165 1HD2 ASN 17 HD21 ASN 17 2.315 0.357 -11.856
166 2HD2 ASN 17 HD22 ASN 17 1.508 1.873 -12.042
167 H ASP 18 HN ASP 18 -1.221 -3.445 -12.665
168 HA ASP 18 HA ASP 18 0.271 -5.698 -11.555
169 1HB ASP 18 HB2 ASP 18 -2.254 -5.590 -12.516
170 2HB ASP 18 HB1 ASP 18 -1.396 -6.079 -13.973
171 H LYS 19 HN LYS 19 1.915 -3.782 -12.639
172 HA LYS 19 HA LYS 19 2.611 -4.648 -15.334
173 1HB LYS 19 HB2 LYS 19 2.591 -2.213 -14.600
174 2HB LYS 19 HB1 LYS 19 4.032 -2.578 -13.662
175 1HG LYS 19 HG2 LYS 19 4.824 -3.534 -16.023
176 2HG LYS 19 HG1 LYS 19 3.683 -2.309 -16.584
177 1HD LYS 19 HD2 LYS 19 5.844 -1.726 -14.572
178 2HD LYS 19 HD1 LYS 19 6.089 -1.562 -16.312
179 1HE LYS 19 HE2 LYS 19 3.747 -0.233 -15.026
180 2HE LYS 19 HE1 LYS 19 5.345 0.494 -14.869
181 1HZ LYS 19 HZ1 LYS 19 4.308 -0.295 -17.515
182 2HZ LYS 19 HZ2 LYS 19 5.496 0.848 -17.138
183 3HZ LYS 19 HZ3 LYS 19 3.868 1.187 -16.827
184 1HN NH2 20 NH1 NH2 20 3.771 -6.437 -15.471
185 2HN NH2 20 NH2 NH2 20 5.122 -6.856 -14.479
Start of MODEL 17
1 1H ALA 1 HT1 ALA 1 0.914 3.807 15.489
2 2H ALA 1 HT2 ALA 1 0.303 5.360 15.888
3 3H ALA 1 HT3 ALA 1 1.956 4.988 16.164
4 HA ALA 1 HA ALA 1 2.043 6.213 14.286
5 1HB ALA 1 HB1 ALA 1 2.803 3.636 14.184
6 2HB ALA 1 HB2 ALA 1 3.066 4.784 12.872
7 3HB ALA 1 HB3 ALA 1 1.690 3.682 12.817
8 H LYS 2 HN LYS 2 0.777 7.505 13.143
9 HA LYS 2 HA LYS 2 -1.882 6.563 12.354
10 1HB LYS 2 HB2 LYS 2 -2.313 9.004 11.927
11 2HB LYS 2 HB1 LYS 2 -1.959 8.596 13.600
12 1HG LYS 2 HG2 LYS 2 -0.176 9.921 13.646
13 2HG LYS 2 HG1 LYS 2 0.437 9.279 12.121
14 1HD LYS 2 HD2 LYS 2 -1.597 10.746 11.184
15 2HD LYS 2 HD1 LYS 2 -1.236 11.664 12.648
16 1HE LYS 2 HE2 LYS 2 -0.019 12.459 10.627
17 2HE LYS 2 HE1 LYS 2 1.034 11.991 11.962
18 1HZ LYS 2 HZ1 LYS 2 0.406 9.919 10.016
19 2HZ LYS 2 HZ2 LYS 2 1.858 10.246 10.819
20 3HZ LYS 2 HZ3 LYS 2 1.407 11.172 9.477
21 H LYS 3 HN LYS 3 0.528 5.769 10.917
22 HA LYS 3 HA LYS 3 -0.315 6.632 8.253
23 1HB LYS 3 HB2 LYS 3 1.954 7.117 7.526
24 2HB LYS 3 HB1 LYS 3 1.526 8.158 8.877
25 1HG LYS 3 HG2 LYS 3 2.688 6.097 10.184
26 2HG LYS 3 HG1 LYS 3 3.590 6.081 8.667
27 1HD LYS 3 HD2 LYS 3 3.432 8.772 9.362
28 2HD LYS 3 HD1 LYS 3 3.732 7.937 10.887
29 1HE LYS 3 HE2 LYS 3 5.799 7.236 10.257
30 2HE LYS 3 HE1 LYS 3 5.351 7.094 8.558
31 1HZ LYS 3 HZ1 LYS 3 6.301 9.435 10.040
32 2HZ LYS 3 HZ2 LYS 3 5.229 9.688 8.756
33 3HZ LYS 3 HZ3 LYS 3 6.704 8.907 8.483
34 H VAL 4 HN VAL 4 -0.215 4.132 10.060
35 HA VAL 4 HA VAL 4 1.512 2.248 8.903
36 HB VAL 4 HB VAL 4 0.188 1.733 10.914
37 1HG1 VAL 4 HG11 VAL 4 -2.240 1.045 10.505
38 2HG1 VAL 4 HG12 VAL 4 -2.120 1.972 9.010
39 3HG1 VAL 4 HG13 VAL 4 -1.881 2.771 10.564
40 1HG2 VAL 4 HG21 VAL 4 -0.465 -0.542 10.331
41 2HG2 VAL 4 HG22 VAL 4 1.056 -0.108 9.550
42 3HG2 VAL 4 HG23 VAL 4 -0.441 -0.122 8.618
43 H SER 5 HN SER 5 -1.156 3.932 7.738
44 HA SER 5 HA SER 5 -2.403 2.482 5.843
45 1HB SER 5 HB2 SER 5 -2.644 4.959 6.467
46 2HB SER 5 HB1 SER 5 -1.355 5.252 5.305
47 HG SER 5 HG SER 5 -3.910 5.039 4.793
48 H LYS 6 HN LYS 6 0.838 3.667 5.789
49 HA LYS 6 HA LYS 6 1.445 3.366 3.076
50 1HB LYS 6 HB2 LYS 6 2.864 3.955 5.470
51 2HB LYS 6 HB1 LYS 6 3.732 2.664 4.650
52 1HG LYS 6 HG2 LYS 6 4.702 4.573 3.788
53 2HG LYS 6 HG1 LYS 6 3.512 4.150 2.555
54 1HD LYS 6 HD2 LYS 6 2.500 5.904 4.680
55 2HD LYS 6 HD1 LYS 6 3.775 6.615 3.688
56 1HE LYS 6 HE2 LYS 6 2.157 7.124 2.237
57 2HE LYS 6 HE1 LYS 6 2.139 5.409 1.832
58 1HZ LYS 6 HZ1 LYS 6 0.538 6.339 4.108
59 2HZ LYS 6 HZ2 LYS 6 0.260 5.045 3.055
60 3HZ LYS 6 HZ3 LYS 6 -0.034 6.629 2.542
61 H ARG 7 HN ARG 7 1.690 1.078 5.780
62 HA ARG 7 HA ARG 7 2.782 -1.057 4.305
63 1HB ARG 7 HB2 ARG 7 1.233 -0.850 6.861
64 2HB ARG 7 HB1 ARG 7 1.513 -2.434 6.151
65 1HG ARG 7 HG2 ARG 7 4.007 -1.547 6.069
66 2HG ARG 7 HG1 ARG 7 3.425 -0.547 7.402
67 1HD ARG 7 HD2 ARG 7 4.103 -2.375 8.582
68 2HD ARG 7 HD1 ARG 7 2.446 -2.863 8.228
69 HE ARG 7 HE ARG 7 3.278 -4.567 6.963
70 1HH1 ARG 7 HH11 ARG 7 5.775 -2.159 7.336
71 2HH1 ARG 7 HH12 ARG 7 6.988 -3.114 6.553
72 1HH2 ARG 7 HH21 ARG 7 4.872 -5.826 5.932
73 2HH2 ARG 7 HH22 ARG 7 6.475 -5.196 5.755
74 H LEU 8 HN LEU 8 -0.562 -0.135 5.018
75 HA LEU 8 HA LEU 8 -1.769 -2.306 3.663
76 1HB LEU 8 HB2 LEU 8 -2.657 0.334 4.699
77 2HB LEU 8 HB1 LEU 8 -3.662 -0.412 3.471
78 HG LEU 8 HG LEU 8 -3.007 -2.340 5.513
79 1HD1 LEU 8 HD11 LEU 8 -4.268 0.231 6.448
80 2HD1 LEU 8 HD12 LEU 8 -2.764 -0.487 7.023
81 3HD1 LEU 8 HD13 LEU 8 -4.302 -1.288 7.343
82 1HD2 LEU 8 HD21 LEU 8 -5.750 -1.304 5.259
83 2HD2 LEU 8 HD22 LEU 8 -5.146 -2.959 5.177
84 3HD2 LEU 8 HD23 LEU 8 -5.021 -1.905 3.769
85 H GLU 9 HN GLU 9 -0.809 0.956 2.699
86 HA GLU 9 HA GLU 9 -1.859 0.856 0.081
87 1HB GLU 9 HB2 GLU 9 0.379 2.452 1.324
88 2HB GLU 9 HB1 GLU 9 -0.083 2.642 -0.362
89 1HG GLU 9 HG2 GLU 9 -2.481 2.853 0.959
90 2HG GLU 9 HG1 GLU 9 -1.351 3.649 2.053
91 H LYS 10 HN LYS 10 0.998 -0.472 1.552
92 HA LYS 10 HA LYS 10 2.479 -0.897 -0.841
93 1HB LYS 10 HB2 LYS 10 3.102 -1.060 1.776
94 2HB LYS 10 HB1 LYS 10 2.843 -2.765 1.435
95 1HG LYS 10 HG2 LYS 10 4.416 -2.197 -0.626
96 2HG LYS 10 HG1 LYS 10 4.965 -0.935 0.478
97 1HD LYS 10 HD2 LYS 10 5.745 -2.463 2.040
98 2HD LYS 10 HD1 LYS 10 4.717 -3.761 1.429
99 1HE LYS 10 HE2 LYS 10 6.810 -4.384 0.665
100 2HE LYS 10 HE1 LYS 10 6.136 -3.536 -0.726
101 1HZ LYS 10 HZ1 LYS 10 7.306 -1.503 0.246
102 2HZ LYS 10 HZ2 LYS 10 8.266 -2.674 -0.508
103 3HZ LYS 10 HZ3 LYS 10 8.189 -2.604 1.180
104 H LEU 11 HN LEU 11 0.145 -2.796 0.997
105 HA LEU 11 HA LEU 11 0.424 -5.170 -0.548
106 1HB LEU 11 HB2 LEU 11 -1.248 -4.211 1.639
107 2HB LEU 11 HB1 LEU 11 -2.137 -5.221 0.514
108 HG LEU 11 HG LEU 11 -0.151 -6.876 0.807
109 1HD1 LEU 11 HD11 LEU 11 1.470 -5.898 2.049
110 2HD1 LEU 11 HD12 LEU 11 0.508 -6.560 3.371
111 3HD1 LEU 11 HD13 LEU 11 0.336 -4.864 2.919
112 1HD2 LEU 11 HD21 LEU 11 -1.403 -8.049 2.348
113 2HD2 LEU 11 HD22 LEU 11 -2.602 -6.938 1.685
114 3HD2 LEU 11 HD23 LEU 11 -1.853 -6.600 3.246
115 H PHE 12 HN PHE 12 -1.699 -2.357 -0.705
116 HA PHE 12 HA PHE 12 -3.405 -3.373 -2.733
117 1HB PHE 12 HB2 PHE 12 -3.484 -1.201 -1.097
118 2HB PHE 12 HB1 PHE 12 -3.023 -0.447 -2.619
119 HD1 PHE 12 HD1 PHE 12 -5.666 -2.085 -0.759
120 HD2 PHE 12 HD2 PHE 12 -4.508 -0.598 -4.575
121 HE1 PHE 12 HE1 PHE 12 -8.016 -2.135 -1.487
122 HE2 PHE 12 HE2 PHE 12 -6.855 -0.645 -5.310
123 HZ PHE 12 HZ PHE 12 -8.613 -1.414 -3.765
124 H SER 13 HN SER 13 -0.337 -1.704 -2.758
125 HA SER 13 HA SER 13 -0.294 -0.829 -5.415
126 1HB SER 13 HB2 SER 13 1.746 -1.400 -3.333
127 2HB SER 13 HB1 SER 13 2.316 -1.333 -5.001
128 HG SER 13 HG SER 13 1.192 0.742 -5.106
129 H LYS 14 HN LYS 14 0.348 -3.970 -4.000
130 HA LYS 14 HA LYS 14 1.554 -5.160 -6.264
131 1HB LYS 14 HB2 LYS 14 0.517 -6.036 -3.672
132 2HB LYS 14 HB1 LYS 14 0.297 -7.233 -4.941
133 1HG LYS 14 HG2 LYS 14 2.378 -7.615 -3.782
134 2HG LYS 14 HG1 LYS 14 2.695 -7.121 -5.446
135 1HD LYS 14 HD2 LYS 14 3.041 -4.795 -4.614
136 2HD LYS 14 HD1 LYS 14 2.896 -5.414 -2.968
137 1HE LYS 14 HE2 LYS 14 4.811 -6.885 -3.352
138 2HE LYS 14 HE1 LYS 14 4.950 -6.279 -5.002
139 1HZ LYS 14 HZ1 LYS 14 5.670 -4.218 -4.269
140 2HZ LYS 14 HZ2 LYS 14 6.448 -5.277 -3.205
141 3HZ LYS 14 HZ3 LYS 14 5.070 -4.435 -2.701
142 H ILE 15 HN ILE 15 -1.793 -4.846 -5.206
143 HA ILE 15 HA ILE 15 -2.856 -6.515 -7.276
144 HB ILE 15 HB ILE 15 -4.351 -4.450 -5.662
145 1HG1 ILE 15 HG12 ILE 15 -3.810 -7.353 -4.995
146 2HG1 ILE 15 HG11 ILE 15 -3.098 -5.966 -4.176
147 1HG2 ILE 15 HG21 ILE 15 -6.125 -6.372 -6.035
148 2HG2 ILE 15 HG22 ILE 15 -5.112 -6.705 -7.440
149 3HG2 ILE 15 HG23 ILE 15 -5.854 -5.117 -7.243
150 1HD1 ILE 15 HD11 ILE 15 -5.151 -5.348 -3.220
151 2HD1 ILE 15 HD12 ILE 15 -5.041 -7.098 -3.028
152 3HD1 ILE 15 HD13 ILE 15 -6.061 -6.412 -4.293
153 H GLN 16 HN GLN 16 -2.074 -3.140 -6.958
154 HA GLN 16 HA GLN 16 -3.528 -2.440 -9.385
155 1HB GLN 16 HB2 GLN 16 -2.112 -0.897 -7.248
156 2HB GLN 16 HB1 GLN 16 -2.368 -0.147 -8.817
157 1HG GLN 16 HG2 GLN 16 -4.845 -1.056 -8.348
158 2HG GLN 16 HG1 GLN 16 -4.297 -0.809 -6.690
159 1HE2 GLN 16 HE21 GLN 16 -6.321 0.604 -8.298
160 2HE2 GLN 16 HE22 GLN 16 -5.861 2.268 -8.264
161 H ASN 17 HN ASN 17 -1.688 -4.268 -10.036
162 HA ASN 17 HA ASN 17 0.789 -3.012 -10.839
163 1HB ASN 17 HB2 ASN 17 0.181 -5.566 -10.190
164 2HB ASN 17 HB1 ASN 17 0.072 -5.664 -11.945
165 1HD2 ASN 17 HD21 ASN 17 1.976 -6.982 -10.312
166 2HD2 ASN 17 HD22 ASN 17 3.539 -6.389 -10.747
167 H ASP 18 HN ASP 18 -0.878 -1.446 -12.014
168 HA ASP 18 HA ASP 18 -1.500 -2.426 -14.695
169 1HB ASP 18 HB2 ASP 18 -2.643 -0.206 -14.944
170 2HB ASP 18 HB1 ASP 18 -3.286 -1.209 -13.648
171 H LYS 19 HN LYS 19 1.269 -1.995 -13.857
172 HA LYS 19 HA LYS 19 2.275 0.422 -14.917
173 1HB LYS 19 HB2 LYS 19 3.402 -1.366 -13.380
174 2HB LYS 19 HB1 LYS 19 3.878 -2.112 -14.899
175 1HG LYS 19 HG2 LYS 19 4.650 0.419 -15.369
176 2HG LYS 19 HG1 LYS 19 4.838 0.357 -13.615
177 1HD LYS 19 HD2 LYS 19 6.398 -1.386 -13.730
178 2HD LYS 19 HD1 LYS 19 5.945 -1.800 -15.385
179 1HE LYS 19 HE2 LYS 19 7.000 0.928 -14.897
180 2HE LYS 19 HE1 LYS 19 8.143 -0.411 -14.801
181 1HZ LYS 19 HZ1 LYS 19 7.378 -1.099 -17.031
182 2HZ LYS 19 HZ2 LYS 19 8.109 0.426 -17.024
183 3HZ LYS 19 HZ3 LYS 19 6.425 0.297 -17.116
184 1HN NH2 20 NH1 NH2 20 1.468 0.832 -16.935
185 2HN NH2 20 NH2 NH2 20 1.870 -0.097 -18.335
Start of MODEL 18
1 1H ALA 1 HT1 ALA 1 1.841 6.500 13.602
2 2H ALA 1 HT2 ALA 1 2.849 6.351 14.984
3 3H ALA 1 HT3 ALA 1 1.347 7.173 15.099
4 HA ALA 1 HA ALA 1 1.913 4.323 14.881
5 1HB ALA 1 HB1 ALA 1 0.482 6.165 16.716
6 2HB ALA 1 HB2 ALA 1 1.535 4.797 17.076
7 3HB ALA 1 HB3 ALA 1 -0.127 4.518 16.556
8 H LYS 2 HN LYS 2 -0.301 6.818 13.847
9 HA LYS 2 HA LYS 2 -2.170 4.813 12.817
10 1HB LYS 2 HB2 LYS 2 -3.678 6.708 12.407
11 2HB LYS 2 HB1 LYS 2 -3.155 6.648 14.084
12 1HG LYS 2 HG2 LYS 2 -2.078 8.615 13.958
13 2HG LYS 2 HG1 LYS 2 -1.498 8.313 12.319
14 1HD LYS 2 HD2 LYS 2 -3.139 9.541 11.448
15 2HD LYS 2 HD1 LYS 2 -4.361 8.624 12.330
16 1HE LYS 2 HE2 LYS 2 -4.298 11.097 12.806
17 2HE LYS 2 HE1 LYS 2 -4.198 10.045 14.217
18 1HZ LYS 2 HZ1 LYS 2 -2.543 12.069 13.795
19 2HZ LYS 2 HZ2 LYS 2 -1.667 10.842 13.027
20 3HZ LYS 2 HZ3 LYS 2 -2.096 10.682 14.656
21 H LYS 3 HN LYS 3 0.454 5.204 11.630
22 HA LYS 3 HA LYS 3 -0.348 6.199 8.963
23 1HB LYS 3 HB2 LYS 3 1.664 7.224 10.432
24 2HB LYS 3 HB1 LYS 3 2.538 5.928 9.627
25 1HG LYS 3 HG2 LYS 3 1.943 6.802 7.465
26 2HG LYS 3 HG1 LYS 3 0.919 8.032 8.208
27 1HD LYS 3 HD2 LYS 3 2.738 9.340 8.030
28 2HD LYS 3 HD1 LYS 3 3.289 8.477 9.467
29 1HE LYS 3 HE2 LYS 3 5.108 8.100 8.177
30 2HE LYS 3 HE1 LYS 3 4.121 6.765 7.583
31 1HZ LYS 3 HZ1 LYS 3 4.785 9.308 6.281
32 2HZ LYS 3 HZ2 LYS 3 3.306 8.576 5.911
33 3HZ LYS 3 HZ3 LYS 3 4.752 7.744 5.636
34 H VAL 4 HN VAL 4 -0.441 3.425 10.338
35 HA VAL 4 HA VAL 4 1.352 1.714 9.027
36 HB VAL 4 HB VAL 4 -1.543 1.074 9.619
37 1HG1 VAL 4 HG11 VAL 4 -0.879 -0.796 8.541
38 2HG1 VAL 4 HG12 VAL 4 -0.181 -1.190 10.112
39 3HG1 VAL 4 HG13 VAL 4 0.832 -0.495 8.846
40 1HG2 VAL 4 HG21 VAL 4 0.756 1.476 11.424
41 2HG2 VAL 4 HG22 VAL 4 -0.226 0.042 11.724
42 3HG2 VAL 4 HG23 VAL 4 -0.973 1.640 11.732
43 H SER 5 HN SER 5 -1.184 3.638 7.943
44 HA SER 5 HA SER 5 -2.304 2.564 5.751
45 1HB SER 5 HB2 SER 5 -2.532 4.916 6.730
46 2HB SER 5 HB1 SER 5 -1.129 5.336 5.752
47 HG SER 5 HG SER 5 -2.310 4.775 3.902
48 H LYS 6 HN LYS 6 0.970 3.591 6.124
49 HA LYS 6 HA LYS 6 1.768 3.672 3.439
50 1HB LYS 6 HB2 LYS 6 3.116 4.522 5.361
51 2HB LYS 6 HB1 LYS 6 3.450 2.857 5.818
52 1HG LYS 6 HG2 LYS 6 4.138 3.103 3.099
53 2HG LYS 6 HG1 LYS 6 4.798 4.515 3.927
54 1HD LYS 6 HD2 LYS 6 5.150 1.807 5.135
55 2HD LYS 6 HD1 LYS 6 6.177 2.292 3.785
56 1HE LYS 6 HE2 LYS 6 6.345 4.490 5.344
57 2HE LYS 6 HE1 LYS 6 6.128 3.245 6.574
58 1HZ LYS 6 HZ1 LYS 6 8.418 3.384 6.269
59 2HZ LYS 6 HZ2 LYS 6 8.299 3.503 4.586
60 3HZ LYS 6 HZ3 LYS 6 7.982 2.030 5.353
61 H ARG 7 HN ARG 7 1.890 1.021 5.813
62 HA ARG 7 HA ARG 7 2.953 -0.908 4.056
63 1HB ARG 7 HB2 ARG 7 1.525 -0.956 6.661
64 2HB ARG 7 HB1 ARG 7 1.513 -2.446 5.727
65 1HG ARG 7 HG2 ARG 7 4.032 -2.216 5.589
66 2HG ARG 7 HG1 ARG 7 3.880 -0.957 6.816
67 1HD ARG 7 HD2 ARG 7 2.359 -3.117 7.748
68 2HD ARG 7 HD1 ARG 7 3.847 -3.819 7.116
69 HE ARG 7 HE ARG 7 4.325 -1.549 8.789
70 1HH1 ARG 7 HH11 ARG 7 3.677 -4.979 8.802
71 2HH1 ARG 7 HH12 ARG 7 4.427 -5.241 10.341
72 1HH2 ARG 7 HH21 ARG 7 5.312 -1.893 10.812
73 2HH2 ARG 7 HH22 ARG 7 5.355 -3.490 11.482
74 H LEU 8 HN LEU 8 -0.343 0.078 4.815
75 HA LEU 8 HA LEU 8 -1.651 -1.884 3.252
76 1HB LEU 8 HB2 LEU 8 -2.411 0.752 4.433
77 2HB LEU 8 HB1 LEU 8 -3.458 0.055 3.212
78 HG LEU 8 HG LEU 8 -4.146 -0.437 5.555
79 1HD1 LEU 8 HD11 LEU 8 -5.123 -1.935 4.144
80 2HD1 LEU 8 HD12 LEU 8 -4.139 -3.040 5.104
81 3HD1 LEU 8 HD13 LEU 8 -3.582 -2.518 3.514
82 1HD2 LEU 8 HD21 LEU 8 -2.821 -2.295 6.668
83 2HD2 LEU 8 HD22 LEU 8 -2.111 -0.681 6.709
84 3HD2 LEU 8 HD23 LEU 8 -1.511 -1.879 5.563
85 H GLU 9 HN GLU 9 -0.545 1.420 2.606
86 HA GLU 9 HA GLU 9 -1.527 1.603 -0.026
87 1HB GLU 9 HB2 GLU 9 0.104 3.172 1.721
88 2HB GLU 9 HB1 GLU 9 0.919 3.052 0.168
89 1HG GLU 9 HG2 GLU 9 -0.355 4.914 -0.162
90 2HG GLU 9 HG1 GLU 9 -1.438 3.667 -0.780
91 H LYS 10 HN LYS 10 1.241 0.005 1.348
92 HA LYS 10 HA LYS 10 2.716 -0.296 -1.070
93 1HB LYS 10 HB2 LYS 10 3.640 -0.535 1.267
94 2HB LYS 10 HB1 LYS 10 2.813 -2.084 1.364
95 1HG LYS 10 HG2 LYS 10 4.281 -2.142 -1.024
96 2HG LYS 10 HG1 LYS 10 5.349 -1.447 0.196
97 1HD LYS 10 HD2 LYS 10 3.764 -3.936 0.744
98 2HD LYS 10 HD1 LYS 10 5.320 -4.004 -0.086
99 1HE LYS 10 HE2 LYS 10 5.248 -2.404 2.389
100 2HE LYS 10 HE1 LYS 10 5.033 -4.142 2.593
101 1HZ LYS 10 HZ1 LYS 10 7.139 -4.573 1.933
102 2HZ LYS 10 HZ2 LYS 10 7.407 -3.007 2.514
103 3HZ LYS 10 HZ3 LYS 10 7.208 -3.270 0.856
104 H LEU 11 HN LEU 11 0.398 -2.321 0.680
105 HA LEU 11 HA LEU 11 0.536 -4.507 -1.135
106 1HB LEU 11 HB2 LEU 11 -0.573 -4.075 1.350
107 2HB LEU 11 HB1 LEU 11 -1.985 -4.203 0.318
108 HG LEU 11 HG LEU 11 -1.518 -6.371 1.208
109 1HD1 LEU 11 HD11 LEU 11 -1.760 -7.524 -0.717
110 2HD1 LEU 11 HD12 LEU 11 -0.349 -6.780 -1.469
111 3HD1 LEU 11 HD13 LEU 11 -1.879 -5.906 -1.408
112 1HD2 LEU 11 HD21 LEU 11 1.233 -6.266 0.001
113 2HD2 LEU 11 HD22 LEU 11 0.570 -7.465 1.111
114 3HD2 LEU 11 HD23 LEU 11 0.910 -5.830 1.679
115 H PHE 12 HN PHE 12 -1.333 -1.562 -0.981
116 HA PHE 12 HA PHE 12 -3.348 -2.290 -2.831
117 1HB PHE 12 HB2 PHE 12 -3.133 -0.239 -1.172
118 2HB PHE 12 HB1 PHE 12 -2.443 0.546 -2.588
119 HD1 PHE 12 HD1 PHE 12 -5.235 -1.897 -2.294
120 HD2 PHE 12 HD2 PHE 12 -4.025 2.045 -3.345
121 HE1 PHE 12 HE1 PHE 12 -7.501 -1.429 -3.132
122 HE2 PHE 12 HE2 PHE 12 -6.289 2.521 -4.184
123 HZ PHE 12 HZ PHE 12 -8.030 0.782 -4.077
124 H SER 13 HN SER 13 -0.137 -0.906 -3.176
125 HA SER 13 HA SER 13 -0.293 -0.089 -5.847
126 1HB SER 13 HB2 SER 13 1.570 0.529 -4.369
127 2HB SER 13 HB1 SER 13 2.111 -1.150 -4.341
128 HG SER 13 HG SER 13 1.931 0.491 -6.652
129 H LYS 14 HN LYS 14 0.396 -3.235 -4.420
130 HA LYS 14 HA LYS 14 1.190 -4.523 -6.812
131 1HB LYS 14 HB2 LYS 14 1.448 -5.275 -4.333
132 2HB LYS 14 HB1 LYS 14 -0.154 -5.965 -4.549
133 1HG LYS 14 HG2 LYS 14 1.349 -7.712 -4.977
134 2HG LYS 14 HG1 LYS 14 0.791 -7.176 -6.563
135 1HD LYS 14 HD2 LYS 14 2.989 -7.145 -7.055
136 2HD LYS 14 HD1 LYS 14 2.960 -5.589 -6.225
137 1HE LYS 14 HE2 LYS 14 3.455 -8.158 -4.753
138 2HE LYS 14 HE1 LYS 14 4.762 -7.277 -5.543
139 1HZ LYS 14 HZ1 LYS 14 3.058 -6.391 -3.293
140 2HZ LYS 14 HZ2 LYS 14 3.966 -5.296 -4.208
141 3HZ LYS 14 HZ3 LYS 14 4.745 -6.524 -3.345
142 H ILE 15 HN ILE 15 -1.915 -3.884 -5.339
143 HA ILE 15 HA ILE 15 -3.371 -5.646 -7.091
144 HB ILE 15 HB ILE 15 -4.498 -3.421 -5.395
145 1HG1 ILE 15 HG12 ILE 15 -4.028 -6.313 -4.634
146 2HG1 ILE 15 HG11 ILE 15 -3.090 -4.945 -4.042
147 1HG2 ILE 15 HG21 ILE 15 -5.970 -5.932 -5.880
148 2HG2 ILE 15 HG22 ILE 15 -5.763 -4.866 -7.270
149 3HG2 ILE 15 HG23 ILE 15 -6.550 -4.268 -5.809
150 1HD1 ILE 15 HD11 ILE 15 -5.531 -4.120 -3.350
151 2HD1 ILE 15 HD12 ILE 15 -4.521 -5.128 -2.313
152 3HD1 ILE 15 HD13 ILE 15 -5.789 -5.864 -3.294
153 H GLN 16 HN GLN 16 -2.482 -2.265 -7.024
154 HA GLN 16 HA GLN 16 -4.123 -1.744 -9.397
155 1HB GLN 16 HB2 GLN 16 -2.940 -0.050 -7.260
156 2HB GLN 16 HB1 GLN 16 -3.088 0.664 -8.860
157 1HG GLN 16 HG2 GLN 16 -5.420 -0.682 -7.558
158 2HG GLN 16 HG1 GLN 16 -4.996 0.985 -7.171
159 1HE2 GLN 16 HE21 GLN 16 -4.634 2.379 -9.165
160 2HE2 GLN 16 HE22 GLN 16 -5.793 2.209 -10.435
161 H ASN 17 HN ASN 17 -1.650 -3.344 -9.440
162 HA ASN 17 HA ASN 17 0.202 -1.622 -10.902
163 1HB ASN 17 HB2 ASN 17 0.401 -4.186 -9.471
164 2HB ASN 17 HB1 ASN 17 1.318 -4.120 -10.972
165 1HD2 ASN 17 HD21 ASN 17 3.164 -4.326 -9.550
166 2HD2 ASN 17 HD22 ASN 17 3.818 -2.912 -8.805
167 H ASP 18 HN ASP 18 0.124 -1.470 -13.037
168 HA ASP 18 HA ASP 18 -1.440 -3.422 -14.548
169 1HB ASP 18 HB2 ASP 18 -1.204 -1.751 -16.411
170 2HB ASP 18 HB1 ASP 18 -2.040 -1.142 -14.985
171 H LYS 19 HN LYS 19 1.299 -3.964 -13.511
172 HA LYS 19 HA LYS 19 2.859 -4.158 -15.972
173 1HB LYS 19 HB2 LYS 19 3.458 -4.148 -13.096
174 2HB LYS 19 HB1 LYS 19 4.389 -5.322 -14.015
175 1HG LYS 19 HG2 LYS 19 5.544 -3.172 -13.786
176 2HG LYS 19 HG1 LYS 19 5.220 -3.585 -15.471
177 1HD LYS 19 HD2 LYS 19 3.105 -2.163 -15.214
178 2HD LYS 19 HD1 LYS 19 3.853 -1.546 -13.739
179 1HE LYS 19 HE2 LYS 19 5.469 -0.407 -14.871
180 2HE LYS 19 HE1 LYS 19 5.497 -1.557 -16.207
181 1HZ LYS 19 HZ1 LYS 19 3.656 -0.576 -17.192
182 2HZ LYS 19 HZ2 LYS 19 4.529 0.756 -16.622
183 3HZ LYS 19 HZ3 LYS 19 3.172 0.210 -15.773
184 1HN NH2 20 NH1 NH2 20 3.465 -6.067 -16.896
185 2HN NH2 20 NH2 NH2 20 2.798 -7.601 -16.463
Start of MODEL 19
1 1H ALA 1 HT1 ALA 1 2.427 2.705 14.670
2 2H ALA 1 HT2 ALA 1 0.920 3.467 14.980
3 3H ALA 1 HT3 ALA 1 2.096 4.250 14.006
4 HA ALA 1 HA ALA 1 1.797 2.854 12.259
5 1HB ALA 1 HB1 ALA 1 0.150 0.822 12.717
6 2HB ALA 1 HB2 ALA 1 0.806 0.994 14.345
7 3HB ALA 1 HB3 ALA 1 1.889 0.701 12.984
8 H LYS 2 HN LYS 2 0.400 5.113 13.298
9 HA LYS 2 HA LYS 2 -2.414 4.616 12.769
10 1HB LYS 2 HB2 LYS 2 -2.615 7.094 13.261
11 2HB LYS 2 HB1 LYS 2 -2.045 6.088 14.585
12 1HG LYS 2 HG2 LYS 2 0.093 7.184 12.918
13 2HG LYS 2 HG1 LYS 2 -0.878 8.400 13.749
14 1HD LYS 2 HD2 LYS 2 -0.254 6.215 15.522
15 2HD LYS 2 HD1 LYS 2 1.219 6.876 14.810
16 1HE LYS 2 HE2 LYS 2 -0.903 8.605 16.055
17 2HE LYS 2 HE1 LYS 2 0.434 7.926 16.982
18 1HZ LYS 2 HZ1 LYS 2 1.926 9.302 16.013
19 2HZ LYS 2 HZ2 LYS 2 0.565 10.290 15.833
20 3HZ LYS 2 HZ3 LYS 2 1.110 9.357 14.532
21 H LYS 3 HN LYS 3 0.294 5.317 10.952
22 HA LYS 3 HA LYS 3 -1.387 6.236 8.726
23 1HB LYS 3 HB2 LYS 3 0.378 7.833 8.036
24 2HB LYS 3 HB1 LYS 3 -0.345 8.254 9.583
25 1HG LYS 3 HG2 LYS 3 1.760 6.741 10.383
26 2HG LYS 3 HG1 LYS 3 2.409 7.499 8.927
27 1HD LYS 3 HD2 LYS 3 0.935 9.335 10.666
28 2HD LYS 3 HD1 LYS 3 2.367 8.631 11.420
29 1HE LYS 3 HE2 LYS 3 3.440 10.323 10.399
30 2HE LYS 3 HE1 LYS 3 3.347 9.276 8.983
31 1HZ LYS 3 HZ1 LYS 3 2.576 11.673 8.736
32 2HZ LYS 3 HZ2 LYS 3 1.203 11.211 9.609
33 3HZ LYS 3 HZ3 LYS 3 1.554 10.467 8.131
34 H VAL 4 HN VAL 4 0.328 3.770 9.725
35 HA VAL 4 HA VAL 4 2.301 3.310 7.779
36 HB VAL 4 HB VAL 4 2.045 1.836 9.732
37 1HG1 VAL 4 HG11 VAL 4 0.222 0.494 10.150
38 2HG1 VAL 4 HG12 VAL 4 -0.296 0.489 8.464
39 3HG1 VAL 4 HG13 VAL 4 -0.551 1.922 9.460
40 1HG2 VAL 4 HG21 VAL 4 2.724 1.080 7.189
41 2HG2 VAL 4 HG22 VAL 4 1.543 -0.147 7.645
42 3HG2 VAL 4 HG23 VAL 4 2.973 0.114 8.643
43 H SER 5 HN SER 5 -1.044 3.560 7.631
44 HA SER 5 HA SER 5 -2.043 2.024 5.682
45 1HB SER 5 HB2 SER 5 -3.126 3.948 6.962
46 2HB SER 5 HB1 SER 5 -2.453 5.004 5.724
47 HG SER 5 HG SER 5 -3.905 4.322 4.341
48 H LYS 6 HN LYS 6 0.226 4.602 5.301
49 HA LYS 6 HA LYS 6 0.054 4.949 2.518
50 1HB LYS 6 HB2 LYS 6 1.511 6.111 4.550
51 2HB LYS 6 HB1 LYS 6 2.750 5.266 3.633
52 1HG LYS 6 HG2 LYS 6 2.176 6.450 1.637
53 2HG LYS 6 HG1 LYS 6 0.765 7.171 2.414
54 1HD LYS 6 HD2 LYS 6 2.751 7.922 4.112
55 2HD LYS 6 HD1 LYS 6 3.601 7.924 2.566
56 1HE LYS 6 HE2 LYS 6 1.715 9.314 1.653
57 2HE LYS 6 HE1 LYS 6 1.115 9.455 3.305
58 1HZ LYS 6 HZ1 LYS 6 3.862 10.248 2.528
59 2HZ LYS 6 HZ2 LYS 6 3.036 10.624 3.956
60 3HZ LYS 6 HZ3 LYS 6 2.557 11.325 2.493
61 H ARG 7 HN ARG 7 2.284 2.967 4.471
62 HA ARG 7 HA ARG 7 3.551 1.747 2.259
63 1HB ARG 7 HB2 ARG 7 3.691 1.566 5.101
64 2HB ARG 7 HB1 ARG 7 3.483 -0.061 4.469
65 1HG ARG 7 HG2 ARG 7 5.582 1.837 3.457
66 2HG ARG 7 HG1 ARG 7 5.856 0.697 4.776
67 1HD ARG 7 HD2 ARG 7 4.826 -0.977 2.957
68 2HD ARG 7 HD1 ARG 7 5.543 0.214 1.873
69 HE ARG 7 HE ARG 7 6.929 -1.670 3.548
70 1HH1 ARG 7 HH11 ARG 7 7.166 1.365 1.841
71 2HH1 ARG 7 HH12 ARG 7 8.892 1.301 1.714
72 1HH2 ARG 7 HH21 ARG 7 9.199 -1.755 3.381
73 2HH2 ARG 7 HH22 ARG 7 10.046 -0.470 2.587
74 H LEU 8 HN LEU 8 0.686 1.005 4.138
75 HA LEU 8 HA LEU 8 0.163 -1.543 3.029
76 1HB LEU 8 HB2 LEU 8 -1.442 0.502 4.501
77 2HB LEU 8 HB1 LEU 8 -2.287 -0.801 3.687
78 HG LEU 8 HG LEU 8 -0.118 -1.242 5.737
79 1HD1 LEU 8 HD11 LEU 8 -2.464 -0.116 6.357
80 2HD1 LEU 8 HD12 LEU 8 -1.634 -1.258 7.414
81 3HD1 LEU 8 HD13 LEU 8 -2.946 -1.812 6.373
82 1HD2 LEU 8 HD21 LEU 8 -2.178 -3.267 5.133
83 2HD2 LEU 8 HD22 LEU 8 -0.461 -3.461 5.489
84 3HD2 LEU 8 HD23 LEU 8 -0.978 -2.973 3.875
85 H GLU 9 HN GLU 9 -0.856 1.748 2.183
86 HA GLU 9 HA GLU 9 -2.556 1.043 0.051
87 1HB GLU 9 HB2 GLU 9 -1.937 3.374 1.282
88 2HB GLU 9 HB1 GLU 9 -1.013 3.558 -0.202
89 1HG GLU 9 HG2 GLU 9 -3.879 2.744 -0.331
90 2HG GLU 9 HG1 GLU 9 -3.451 4.433 -0.064
91 H LYS 10 HN LYS 10 0.903 1.235 0.336
92 HA LYS 10 HA LYS 10 1.484 1.379 -2.449
93 1HB LYS 10 HB2 LYS 10 2.992 0.944 0.049
94 2HB LYS 10 HB1 LYS 10 3.688 0.186 -1.377
95 1HG LYS 10 HG2 LYS 10 3.042 3.107 -1.034
96 2HG LYS 10 HG1 LYS 10 4.647 2.373 -1.046
97 1HD LYS 10 HD2 LYS 10 3.706 1.469 -3.399
98 2HD LYS 10 HD1 LYS 10 2.821 2.992 -3.284
99 1HE LYS 10 HE2 LYS 10 4.636 4.053 -3.999
100 2HE LYS 10 HE1 LYS 10 5.469 3.557 -2.526
101 1HZ LYS 10 HZ1 LYS 10 6.337 2.919 -4.926
102 2HZ LYS 10 HZ2 LYS 10 5.309 1.599 -4.682
103 3HZ LYS 10 HZ3 LYS 10 6.563 1.906 -3.590
104 H LEU 11 HN LEU 11 0.991 -1.227 -0.146
105 HA LEU 11 HA LEU 11 1.784 -3.335 -1.882
106 1HB LEU 11 HB2 LEU 11 0.400 -3.115 0.737
107 2HB LEU 11 HB1 LEU 11 0.173 -4.603 -0.163
108 HG LEU 11 HG LEU 11 2.641 -4.889 -0.240
109 1HD1 LEU 11 HD11 LEU 11 2.603 -2.478 1.566
110 2HD1 LEU 11 HD12 LEU 11 3.353 -2.603 -0.026
111 3HD1 LEU 11 HD13 LEU 11 3.995 -3.534 1.328
112 1HD2 LEU 11 HD21 LEU 11 2.077 -4.604 2.640
113 2HD2 LEU 11 HD22 LEU 11 2.632 -6.005 1.722
114 3HD2 LEU 11 HD23 LEU 11 0.923 -5.566 1.716
115 H PHE 12 HN PHE 12 -1.308 -1.798 -1.125
116 HA PHE 12 HA PHE 12 -2.993 -3.587 -2.459
117 1HB PHE 12 HB2 PHE 12 -3.338 -1.253 -1.043
118 2HB PHE 12 HB1 PHE 12 -3.803 -0.776 -2.673
119 HD1 PHE 12 HD1 PHE 12 -5.675 -1.905 -3.805
120 HD2 PHE 12 HD2 PHE 12 -4.685 -2.719 0.253
121 HE1 PHE 12 HE1 PHE 12 -7.886 -2.934 -3.476
122 HE2 PHE 12 HE2 PHE 12 -6.893 -3.751 0.589
123 HZ PHE 12 HZ PHE 12 -8.497 -3.860 -1.277
124 H SER 13 HN SER 13 -0.978 -0.996 -3.659
125 HA SER 13 HA SER 13 -2.107 -0.679 -6.204
126 1HB SER 13 HB2 SER 13 -0.381 0.822 -5.175
127 2HB SER 13 HB1 SER 13 0.825 -0.423 -5.499
128 HG SER 13 HG SER 13 0.976 0.566 -7.351
129 H LYS 14 HN LYS 14 0.028 -3.107 -4.897
130 HA LYS 14 HA LYS 14 0.935 -4.196 -7.343
131 1HB LYS 14 HB2 LYS 14 0.670 -5.396 -4.585
132 2HB LYS 14 HB1 LYS 14 1.414 -6.237 -5.938
133 1HG LYS 14 HG2 LYS 14 2.908 -4.114 -6.088
134 2HG LYS 14 HG1 LYS 14 2.386 -3.860 -4.421
135 1HD LYS 14 HD2 LYS 14 3.061 -6.469 -4.319
136 2HD LYS 14 HD1 LYS 14 4.183 -5.905 -5.559
137 1HE LYS 14 HE2 LYS 14 4.919 -4.114 -4.018
138 2HE LYS 14 HE1 LYS 14 3.863 -4.787 -2.776
139 1HZ LYS 14 HZ1 LYS 14 5.250 -6.945 -3.427
140 2HZ LYS 14 HZ2 LYS 14 5.747 -5.866 -2.223
141 3HZ LYS 14 HZ3 LYS 14 6.414 -5.767 -3.774
142 H ILE 15 HN ILE 15 -1.904 -4.784 -5.349
143 HA ILE 15 HA ILE 15 -2.779 -7.086 -6.795
144 HB ILE 15 HB ILE 15 -4.478 -5.252 -5.104
145 1HG1 ILE 15 HG12 ILE 15 -2.855 -7.663 -4.256
146 2HG1 ILE 15 HG11 ILE 15 -2.479 -5.989 -3.860
147 1HG2 ILE 15 HG21 ILE 15 -5.454 -7.730 -4.726
148 2HG2 ILE 15 HG22 ILE 15 -4.859 -7.883 -6.379
149 3HG2 ILE 15 HG23 ILE 15 -6.036 -6.632 -5.978
150 1HD1 ILE 15 HD11 ILE 15 -4.508 -7.800 -2.725
151 2HD1 ILE 15 HD12 ILE 15 -4.965 -6.106 -2.899
152 3HD1 ILE 15 HD13 ILE 15 -3.542 -6.543 -1.953
153 H GLN 16 HN GLN 16 -3.227 -3.641 -7.125
154 HA GLN 16 HA GLN 16 -5.325 -3.962 -9.114
155 1HB GLN 16 HB2 GLN 16 -4.029 -1.600 -7.786
156 2HB GLN 16 HB1 GLN 16 -5.014 -1.388 -9.227
157 1HG GLN 16 HG2 GLN 16 -6.501 -3.008 -7.478
158 2HG GLN 16 HG1 GLN 16 -5.828 -1.699 -6.507
159 1HE2 GLN 16 HE21 GLN 16 -8.589 -2.199 -7.242
160 2HE2 GLN 16 HE22 GLN 16 -9.129 -0.798 -8.096
161 H ASN 17 HN ASN 17 -2.270 -2.118 -9.081
162 HA ASN 17 HA ASN 17 -2.077 -2.336 -11.959
163 1HB ASN 17 HB2 ASN 17 -0.055 -1.127 -10.068
164 2HB ASN 17 HB1 ASN 17 -0.230 -0.818 -11.793
165 1HD2 ASN 17 HD21 ASN 17 -2.854 -0.380 -12.111
166 2HD2 ASN 17 HD22 ASN 17 -3.361 1.001 -11.205
167 H ASP 18 HN ASP 18 0.603 -2.513 -12.432
168 HA ASP 18 HA ASP 18 1.105 -5.325 -11.817
169 1HB ASP 18 HB2 ASP 18 1.711 -3.533 -14.046
170 2HB ASP 18 HB1 ASP 18 3.091 -4.515 -13.564
171 H LYS 19 HN LYS 19 1.555 -3.208 -9.827
172 HA LYS 19 HA LYS 19 4.353 -2.732 -9.605
173 1HB LYS 19 HB2 LYS 19 1.945 -2.201 -8.003
174 2HB LYS 19 HB1 LYS 19 3.406 -2.442 -7.055
175 1HG LYS 19 HG2 LYS 19 3.980 -0.706 -9.253
176 2HG LYS 19 HG1 LYS 19 2.563 -0.114 -8.384
177 1HD LYS 19 HD2 LYS 19 4.419 0.889 -7.330
178 2HD LYS 19 HD1 LYS 19 3.917 -0.420 -6.259
179 1HE LYS 19 HE2 LYS 19 6.252 -0.596 -6.362
180 2HE LYS 19 HE1 LYS 19 5.659 -1.843 -7.458
181 1HZ LYS 19 HZ1 LYS 19 6.471 0.853 -8.381
182 2HZ LYS 19 HZ2 LYS 19 6.191 -0.523 -9.322
183 3HZ LYS 19 HZ3 LYS 19 7.543 -0.454 -8.309
184 1HN NH2 20 NH1 NH2 20 2.197 -5.232 -8.496
185 2HN NH2 20 NH2 NH2 20 3.394 -6.218 -7.736
Start of MODEL 20
1 1H ALA 1 HT1 ALA 1 1.162 8.847 14.255
2 2H ALA 1 HT2 ALA 1 2.767 8.610 14.817
3 3H ALA 1 HT3 ALA 1 1.542 7.474 15.209
4 HA ALA 1 HA ALA 1 2.345 8.080 12.455
5 1HB ALA 1 HB1 ALA 1 4.339 7.219 13.109
6 2HB ALA 1 HB2 ALA 1 3.475 5.701 12.863
7 3HB ALA 1 HB3 ALA 1 3.644 6.365 14.488
8 H LYS 2 HN LYS 2 -0.160 7.967 12.600
9 HA LYS 2 HA LYS 2 -1.108 5.199 12.624
10 1HB LYS 2 HB2 LYS 2 -2.232 7.454 13.647
11 2HB LYS 2 HB1 LYS 2 -3.029 7.373 12.082
12 1HG LYS 2 HG2 LYS 2 -4.340 5.700 12.730
13 2HG LYS 2 HG1 LYS 2 -2.987 4.800 13.416
14 1HD LYS 2 HD2 LYS 2 -4.348 7.123 14.775
15 2HD LYS 2 HD1 LYS 2 -4.736 5.428 15.077
16 1HE LYS 2 HE2 LYS 2 -2.057 5.383 15.405
17 2HE LYS 2 HE1 LYS 2 -2.412 7.028 15.931
18 1HZ LYS 2 HZ1 LYS 2 -2.481 5.130 17.642
19 2HZ LYS 2 HZ2 LYS 2 -3.988 4.764 16.967
20 3HZ LYS 2 HZ3 LYS 2 -3.721 6.282 17.663
21 H LYS 3 HN LYS 3 0.590 6.015 10.496
22 HA LYS 3 HA LYS 3 -1.296 5.963 8.217
23 1HB LYS 3 HB2 LYS 3 0.469 7.018 6.877
24 2HB LYS 3 HB1 LYS 3 0.034 8.019 8.255
25 1HG LYS 3 HG2 LYS 3 2.075 7.875 9.169
26 2HG LYS 3 HG1 LYS 3 2.261 6.174 8.737
27 1HD LYS 3 HD2 LYS 3 2.298 7.528 6.304
28 2HD LYS 3 HD1 LYS 3 3.246 8.542 7.394
29 1HE LYS 3 HE2 LYS 3 4.711 6.969 6.315
30 2HE LYS 3 HE1 LYS 3 4.574 6.550 8.022
31 1HZ LYS 3 HZ1 LYS 3 3.164 5.227 5.768
32 2HZ LYS 3 HZ2 LYS 3 2.925 4.859 7.401
33 3HZ LYS 3 HZ3 LYS 3 4.430 4.576 6.683
34 H VAL 4 HN VAL 4 -0.031 3.732 9.862
35 HA VAL 4 HA VAL 4 1.871 2.370 8.318
36 HB VAL 4 HB VAL 4 -0.391 1.050 9.828
37 1HG1 VAL 4 HG11 VAL 4 1.073 -0.336 8.316
38 2HG1 VAL 4 HG12 VAL 4 1.034 -0.839 10.006
39 3HG1 VAL 4 HG13 VAL 4 2.417 0.061 9.386
40 1HG2 VAL 4 HG21 VAL 4 0.515 2.499 11.424
41 2HG2 VAL 4 HG22 VAL 4 2.159 2.278 10.826
42 3HG2 VAL 4 HG23 VAL 4 1.357 0.975 11.703
43 H SER 5 HN SER 5 -1.361 3.148 7.800
44 HA SER 5 HA SER 5 -2.470 1.290 6.178
45 1HB SER 5 HB2 SER 5 -3.346 3.582 6.946
46 2HB SER 5 HB1 SER 5 -2.516 4.232 5.536
47 HG SER 5 HG SER 5 -3.786 2.752 4.262
48 H LYS 6 HN LYS 6 0.135 3.442 5.489
49 HA LYS 6 HA LYS 6 0.218 3.286 2.699
50 1HB LYS 6 HB2 LYS 6 1.683 4.601 4.560
51 2HB LYS 6 HB1 LYS 6 2.820 3.336 4.113
52 1HG LYS 6 HG2 LYS 6 2.655 4.010 1.772
53 2HG LYS 6 HG1 LYS 6 1.510 5.277 2.219
54 1HD LYS 6 HD2 LYS 6 3.568 5.813 3.907
55 2HD LYS 6 HD1 LYS 6 4.435 5.177 2.508
56 1HE LYS 6 HE2 LYS 6 2.337 7.323 2.294
57 2HE LYS 6 HE1 LYS 6 4.044 7.680 2.551
58 1HZ LYS 6 HZ1 LYS 6 4.313 6.133 0.482
59 2HZ LYS 6 HZ2 LYS 6 3.918 7.766 0.288
60 3HZ LYS 6 HZ3 LYS 6 2.711 6.587 0.180
61 H ARG 7 HN ARG 7 1.564 1.188 5.204
62 HA ARG 7 HA ARG 7 3.030 -0.514 3.513
63 1HB ARG 7 HB2 ARG 7 2.246 -0.453 6.277
64 2HB ARG 7 HB1 ARG 7 1.980 -2.068 5.636
65 1HG ARG 7 HG2 ARG 7 4.216 -2.415 5.206
66 2HG ARG 7 HG1 ARG 7 4.575 -0.689 5.126
67 1HD ARG 7 HD2 ARG 7 5.375 -0.947 7.199
68 2HD ARG 7 HD1 ARG 7 3.683 -0.967 7.693
69 HE ARG 7 HE ARG 7 5.509 -3.202 7.622
70 1HH1 ARG 7 HH11 ARG 7 2.162 -2.207 7.708
71 2HH1 ARG 7 HH12 ARG 7 1.605 -3.708 8.366
72 1HH2 ARG 7 HH21 ARG 7 4.775 -5.173 8.489
73 2HH2 ARG 7 HH22 ARG 7 3.087 -5.391 8.811
74 H LEU 8 HN LEU 8 -0.292 -0.779 4.767
75 HA LEU 8 HA LEU 8 -0.931 -3.137 3.341
76 1HB LEU 8 HB2 LEU 8 -2.492 -1.002 4.721
77 2HB LEU 8 HB1 LEU 8 -3.345 -2.065 3.617
78 HG LEU 8 HG LEU 8 -1.967 -3.867 5.143
79 1HD1 LEU 8 HD11 LEU 8 -2.761 -1.572 6.928
80 2HD1 LEU 8 HD12 LEU 8 -1.131 -2.192 6.665
81 3HD1 LEU 8 HD13 LEU 8 -2.332 -3.189 7.486
82 1HD2 LEU 8 HD21 LEU 8 -4.675 -2.797 5.899
83 2HD2 LEU 8 HD22 LEU 8 -4.067 -4.445 6.059
84 3HD2 LEU 8 HD23 LEU 8 -4.400 -3.779 4.460
85 H GLU 9 HN GLU 9 -1.248 0.307 2.634
86 HA GLU 9 HA GLU 9 -2.623 0.031 0.185
87 1HB GLU 9 HB2 GLU 9 -1.333 2.158 1.687
88 2HB GLU 9 HB1 GLU 9 -1.035 2.323 -0.037
89 1HG GLU 9 HG2 GLU 9 -2.987 3.574 0.525
90 2HG GLU 9 HG1 GLU 9 -3.474 2.173 -0.427
91 H LYS 10 HN LYS 10 0.721 -0.297 1.110
92 HA LYS 10 HA LYS 10 1.860 -0.075 -1.478
93 1HB LYS 10 HB2 LYS 10 2.832 -0.348 1.093
94 2HB LYS 10 HB1 LYS 10 3.244 -1.890 0.356
95 1HG LYS 10 HG2 LYS 10 4.137 -0.369 -1.583
96 2HG LYS 10 HG1 LYS 10 4.204 0.846 -0.305
97 1HD LYS 10 HD2 LYS 10 5.329 -1.328 0.913
98 2HD LYS 10 HD1 LYS 10 5.879 -1.514 -0.753
99 1HE LYS 10 HE2 LYS 10 6.275 0.857 1.061
100 2HE LYS 10 HE1 LYS 10 7.511 -0.224 0.420
101 1HZ LYS 10 HZ1 LYS 10 6.146 2.000 -0.861
102 2HZ LYS 10 HZ2 LYS 10 6.428 0.647 -1.836
103 3HZ LYS 10 HZ3 LYS 10 7.723 1.427 -1.078
104 H LEU 11 HN LEU 11 0.498 -2.734 0.374
105 HA LEU 11 HA LEU 11 1.305 -4.797 -1.410
106 1HB LEU 11 HB2 LEU 11 0.319 -4.785 1.093
107 2HB LEU 11 HB1 LEU 11 -1.150 -5.155 0.210
108 HG LEU 11 HG LEU 11 -0.043 -7.111 -0.801
109 1HD1 LEU 11 HD11 LEU 11 2.227 -6.573 -0.876
110 2HD1 LEU 11 HD12 LEU 11 2.122 -7.828 0.360
111 3HD1 LEU 11 HD13 LEU 11 2.275 -6.135 0.832
112 1HD2 LEU 11 HD21 LEU 11 -0.524 -8.445 0.964
113 2HD2 LEU 11 HD22 LEU 11 -1.151 -6.937 1.631
114 3HD2 LEU 11 HD23 LEU 11 0.457 -7.501 2.085
115 H PHE 12 HN PHE 12 -1.653 -2.884 -1.038
116 HA PHE 12 HA PHE 12 -3.059 -4.249 -3.120
117 1HB PHE 12 HB2 PHE 12 -4.010 -2.851 -1.147
118 2HB PHE 12 HB1 PHE 12 -3.726 -1.468 -2.198
119 HD1 PHE 12 HD1 PHE 12 -5.261 -4.865 -2.388
120 HD2 PHE 12 HD2 PHE 12 -5.485 -0.758 -3.480
121 HE1 PHE 12 HE1 PHE 12 -7.410 -5.285 -3.509
122 HE2 PHE 12 HE2 PHE 12 -7.636 -1.171 -4.603
123 HZ PHE 12 HZ PHE 12 -8.601 -3.437 -4.618
124 H SER 13 HN SER 13 -1.132 -1.296 -2.940
125 HA SER 13 HA SER 13 -1.735 -0.204 -5.426
126 1HB SER 13 HB2 SER 13 0.242 1.089 -5.214
127 2HB SER 13 HB1 SER 13 -0.302 0.803 -3.562
128 HG SER 13 HG SER 13 1.292 -0.683 -3.289
129 H LYS 14 HN LYS 14 0.298 -2.904 -4.576
130 HA LYS 14 HA LYS 14 1.761 -3.112 -6.973
131 1HB LYS 14 HB2 LYS 14 1.016 -5.059 -4.812
132 2HB LYS 14 HB1 LYS 14 1.843 -5.614 -6.261
133 1HG LYS 14 HG2 LYS 14 3.803 -4.650 -5.682
134 2HG LYS 14 HG1 LYS 14 3.023 -3.286 -4.879
135 1HD LYS 14 HD2 LYS 14 3.007 -4.317 -2.879
136 2HD LYS 14 HD1 LYS 14 2.583 -5.880 -3.579
137 1HE LYS 14 HE2 LYS 14 4.873 -6.270 -4.214
138 2HE LYS 14 HE1 LYS 14 5.333 -4.649 -3.697
139 1HZ LYS 14 HZ1 LYS 14 4.833 -5.235 -1.432
140 2HZ LYS 14 HZ2 LYS 14 5.915 -6.368 -2.068
141 3HZ LYS 14 HZ3 LYS 14 4.280 -6.765 -1.898
142 H ILE 15 HN ILE 15 -1.391 -4.358 -5.992
143 HA ILE 15 HA ILE 15 -1.780 -5.901 -8.374
144 HB ILE 15 HB ILE 15 -3.901 -4.945 -6.457
145 1HG1 ILE 15 HG12 ILE 15 -1.878 -6.163 -5.426
146 2HG1 ILE 15 HG11 ILE 15 -3.480 -6.783 -5.058
147 1HG2 ILE 15 HG21 ILE 15 -5.011 -7.069 -7.190
148 2HG2 ILE 15 HG22 ILE 15 -3.762 -7.216 -8.426
149 3HG2 ILE 15 HG23 ILE 15 -4.860 -5.836 -8.442
150 1HD1 ILE 15 HD11 ILE 15 -2.318 -8.018 -7.415
151 2HD1 ILE 15 HD12 ILE 15 -3.028 -8.755 -5.979
152 3HD1 ILE 15 HD13 ILE 15 -1.341 -8.242 -5.963
153 H GLN 16 HN GLN 16 -1.958 -2.586 -7.704
154 HA GLN 16 HA GLN 16 -3.920 -2.106 -9.827
155 1HB GLN 16 HB2 GLN 16 -3.369 -0.831 -7.353
156 2HB GLN 16 HB1 GLN 16 -2.988 0.320 -8.626
157 1HG GLN 16 HG2 GLN 16 -5.598 -1.153 -8.370
158 2HG GLN 16 HG1 GLN 16 -5.305 0.492 -7.808
159 1HE2 GLN 16 HE21 GLN 16 -6.947 1.242 -9.192
160 2HE2 GLN 16 HE22 GLN 16 -6.683 1.410 -10.891
161 H ASN 17 HN ASN 17 -1.084 -0.211 -8.828
162 HA ASN 17 HA ASN 17 -0.510 0.549 -11.510
163 1HB ASN 17 HB2 ASN 17 1.414 1.709 -10.576
164 2HB ASN 17 HB1 ASN 17 0.001 1.985 -9.562
165 1HD2 ASN 17 HD21 ASN 17 0.288 1.755 -7.472
166 2HD2 ASN 17 HD22 ASN 17 1.535 0.835 -6.709
167 H ASP 18 HN ASP 18 0.837 -1.845 -9.301
168 HA ASP 18 HA ASP 18 2.869 -2.601 -11.245
169 1HB ASP 18 HB2 ASP 18 2.900 -2.564 -8.521
170 2HB ASP 18 HB1 ASP 18 2.537 -4.259 -8.828
171 H LYS 19 HN LYS 19 0.468 -3.017 -12.367
172 HA LYS 19 HA LYS 19 -0.511 -5.677 -11.895
173 1HB LYS 19 HB2 LYS 19 -1.812 -3.632 -12.798
174 2HB LYS 19 HB1 LYS 19 -1.094 -4.043 -14.350
175 1HG LYS 19 HG2 LYS 19 -2.678 -5.543 -14.695
176 2HG LYS 19 HG1 LYS 19 -2.180 -6.416 -13.244
177 1HD LYS 19 HD2 LYS 19 -3.601 -4.860 -11.907
178 2HD LYS 19 HD1 LYS 19 -4.185 -4.169 -13.422
179 1HE LYS 19 HE2 LYS 19 -4.416 -7.081 -12.679
180 2HE LYS 19 HE1 LYS 19 -5.693 -5.890 -12.438
181 1HZ LYS 19 HZ1 LYS 19 -6.180 -5.839 -14.622
182 2HZ LYS 19 HZ2 LYS 19 -5.479 -7.379 -14.622
183 3HZ LYS 19 HZ3 LYS 19 -4.573 -6.038 -15.115
184 1HN NH2 20 NH1 NH2 20 1.269 -4.097 -14.522
185 2HN NH2 20 NH2 NH2 20 1.923 -5.548 -15.196
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