Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608961 | 5kj3 RC | 30119 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 HA1 ACE 0 -13.709 -0.381 -3.966
2 H2 ACE 0 HA2 ACE 0 -14.582 1.059 -3.447
3 H3 ACE 0 HA3 ACE 0 -15.027 -0.502 -2.762
4 H MET 1 HN MET 1 -12.274 1.719 -3.071
5 HA MET 1 HA MET 1 -11.642 1.270 -0.272
6 HB2 MET 1 HB1 MET 1 -10.302 -0.393 -1.503
7 HB3 MET 1 HB2 MET 1 -9.579 0.919 -2.433
8 HG2 MET 1 HG1 MET 1 -8.335 -0.092 -0.386
9 HG3 MET 1 HG2 MET 1 -8.289 1.650 -0.688
10 HE1 MET 1 HE1 MET 1 -10.923 -0.424 2.505
11 HE2 MET 1 HE2 MET 1 -9.758 -1.268 1.485
12 HE3 MET 1 HE3 MET 1 -11.219 -0.582 0.773
13 H ASP 2 HN ASP 2 -12.384 3.426 -2.461
14 HA ASP 2 HA ASP 2 -12.026 5.694 -2.645
15 HB2 ASP 2 HB2 ASP 2 -11.159 4.973 0.097
16 HB3 ASP 2 HB1 ASP 2 -10.553 6.485 -0.525
17 H TRP 3 HN TRP 3 -10.179 3.447 -3.238
18 HA TRP 3 HA TRP 3 -7.693 3.531 -2.987
19 HB2 TRP 3 HB1 TRP 3 -9.318 3.023 -5.302
20 HB3 TRP 3 HB2 TRP 3 -7.593 3.182 -5.581
21 HD1 TRP 3 HD1 TRP 3 -9.435 0.572 -5.583
22 HE1 TRP 3 HE1 TRP 3 -8.606 -1.530 -4.336
23 HE3 TRP 3 HE3 TRP 3 -6.366 2.865 -2.333
24 HZ2 TRP 3 HZ2 TRP 3 -6.839 -2.058 -2.175
25 HZ3 TRP 3 HZ3 TRP 3 -5.159 1.532 -0.684
26 HH2 TRP 3 HH2 TRP 3 -5.385 -0.875 -0.606
27 H GLY 4 HN GLY 4 -6.091 4.126 -3.643
28 HA2 GLY 4 HA2 GLY 4 -4.820 5.817 -5.057
29 HA3 GLY 4 HA1 GLY 4 -5.706 6.986 -4.061
30 H THR 5 HN THR 5 -5.616 4.418 -2.292
31 HA THR 5 HA THR 5 -3.256 5.089 -0.763
32 HB THR 5 HB THR 5 -5.970 4.100 -0.167
33 HG1 THR 5 HG1 THR 5 -5.662 6.089 0.592
34 HG21 THR 5 HG21 THR 5 -4.270 2.300 0.565
35 HG22 THR 5 HG22 THR 5 -5.462 2.859 1.741
36 HG23 THR 5 HG23 THR 5 -3.803 3.459 1.810
37 H LEU 6 HN LEU 6 -4.223 3.036 -3.078
38 HA LEU 6 HA LEU 6 -3.085 0.606 -2.087
39 HB2 LEU 6 HB1 LEU 6 -3.531 -0.302 -4.340
40 HB3 LEU 6 HB2 LEU 6 -4.925 0.341 -3.517
41 HG LEU 6 HG LEU 6 -3.535 1.601 -5.856
42 HD11 LEU 6 HD11 LEU 6 -6.363 0.703 -5.542
43 HD12 LEU 6 HD12 LEU 6 -5.098 -0.406 -6.106
44 HD13 LEU 6 HD13 LEU 6 -5.489 1.040 -7.045
45 HD21 LEU 6 HD21 LEU 6 -5.915 2.554 -4.315
46 HD22 LEU 6 HD22 LEU 6 -5.300 3.251 -5.824
47 HD23 LEU 6 HD23 LEU 6 -4.329 3.344 -4.356
48 H GLN 7 HN GLN 7 -2.299 2.028 -5.151
49 HA GLN 7 HA GLN 7 0.139 1.346 -5.649
50 HB2 GLN 7 HB1 GLN 7 0.527 4.077 -5.850
51 HB3 GLN 7 HB2 GLN 7 -0.169 3.043 -7.097
52 HG2 GLN 7 HG1 GLN 7 -1.632 4.880 -6.776
53 HG3 GLN 7 HG2 GLN 7 -2.384 3.463 -6.031
54 HE21 GLN 7 HE21 GLN 7 -2.511 3.312 -3.828
55 HE22 GLN 7 HE22 GLN 7 -2.259 4.645 -2.777
56 H THR 8 HN THR 8 -0.697 3.267 -2.857
57 HA THR 8 HA THR 8 2.091 3.582 -2.089
58 HB THR 8 HB THR 8 0.658 5.559 -1.863
59 HG1 THR 8 HG1 THR 8 1.196 4.797 0.785
60 HG21 THR 8 HG21 THR 8 -1.151 3.673 -0.856
61 HG22 THR 8 HG22 THR 8 -1.389 5.421 -1.008
62 HG23 THR 8 HG23 THR 8 -0.760 4.744 0.496
63 H ILE 9 HN ILE 9 -0.829 2.008 -1.090
64 HA ILE 9 HA ILE 9 0.661 0.573 0.958
65 HB ILE 9 HB ILE 9 -2.315 0.973 0.888
66 HG12 ILE 9 HG11 ILE 9 -1.131 3.048 1.446
67 HG13 ILE 9 HG12 ILE 9 -1.976 2.413 2.854
68 HG21 ILE 9 HG21 ILE 9 -0.554 -0.345 2.947
69 HG22 ILE 9 HG22 ILE 9 -1.724 -1.143 1.897
70 HG23 ILE 9 HG23 ILE 9 -2.276 -0.019 3.139
71 HD11 ILE 9 HD11 ILE 9 0.969 2.147 2.298
72 HD12 ILE 9 HD12 ILE 9 0.122 1.514 3.710
73 HD13 ILE 9 HD13 ILE 9 0.219 3.255 3.447
74 H LEU 10 HN LEU 10 -1.680 0.381 -1.523
75 HA LEU 10 HA LEU 10 -2.572 -1.243 -2.801
76 HB2 LEU 10 HB2 LEU 10 -0.274 -0.986 -3.619
77 HB3 LEU 10 HB1 LEU 10 0.199 -2.367 -2.648
78 HG LEU 10 HG LEU 10 -1.136 -3.848 -3.990
79 HD11 LEU 10 HD11 LEU 10 -2.945 -1.995 -4.313
80 HD12 LEU 10 HD12 LEU 10 -2.714 -3.216 -5.562
81 HD13 LEU 10 HD13 LEU 10 -2.021 -1.607 -5.763
82 HD21 LEU 10 HD21 LEU 10 0.402 -1.857 -5.615
83 HD22 LEU 10 HD22 LEU 10 -0.153 -3.410 -6.242
84 HD23 LEU 10 HD23 LEU 10 1.013 -3.356 -4.916
85 H GLY 11 HN GLY 11 -2.896 -3.556 -3.209
86 HA2 GLY 11 HA1 GLY 11 -4.076 -4.826 -1.079
87 HA3 GLY 11 HA2 GLY 11 -3.560 -5.603 -2.567
88 H GLY 12 HN GLY 12 -0.736 -4.709 -1.916
89 HA2 GLY 12 HA2 GLY 12 0.223 -5.736 0.453
90 HA3 GLY 12 HA1 GLY 12 0.067 -7.120 -0.618
91 H VAL 13 HN VAL 13 0.921 -3.854 -1.642
92 HA VAL 13 HA VAL 13 3.094 -4.678 -3.175
93 HB VAL 13 HB VAL 13 1.992 -2.538 -3.554
94 HG11 VAL 13 HG11 VAL 13 1.980 -2.219 -0.947
95 HG12 VAL 13 HG12 VAL 13 1.902 -0.842 -2.045
96 HG13 VAL 13 HG13 VAL 13 3.434 -1.285 -1.288
97 HG21 VAL 13 HG21 VAL 13 4.922 -2.244 -2.888
98 HG22 VAL 13 HG22 VAL 13 3.988 -1.164 -3.924
99 HG23 VAL 13 HG23 VAL 13 4.257 -2.838 -4.410
100 H ASN 14 HN ASN 14 5.274 -4.795 -2.850
101 HA ASN 14 HA ASN 14 6.271 -4.228 -0.143
102 HB2 ASN 14 HB1 ASN 14 5.835 -6.672 -0.435
103 HB3 ASN 14 HB2 ASN 14 6.992 -6.680 -1.762
104 HD21 ASN 14 HD21 ASN 14 8.725 -5.624 1.758
105 HD22 ASN 14 HD22 ASN 14 7.378 -4.750 1.121
106 H LYS 15 HN LYS 15 6.424 -3.182 -3.094
107 HA LYS 15 HA LYS 15 9.233 -3.307 -3.685
108 HB2 LYS 15 HB1 LYS 15 7.075 -1.533 -4.842
109 HB3 LYS 15 HB2 LYS 15 8.695 -1.729 -5.495
110 HG2 LYS 15 HG2 LYS 15 8.242 -4.085 -5.935
111 HG3 LYS 15 HG1 LYS 15 6.619 -3.899 -5.264
112 HD2 LYS 15 HD1 LYS 15 6.091 -2.259 -7.007
113 HD3 LYS 15 HD2 LYS 15 7.711 -2.458 -7.681
114 HE2 LYS 15 HE1 LYS 15 5.608 -4.608 -7.455
115 HE3 LYS 15 HE2 LYS 15 6.064 -3.758 -8.930
116 HZ1 LYS 15 HZ1 LYS 15 7.132 -5.918 -8.784
117 HZ2 LYS 15 HZ2 LYS 15 7.856 -5.491 -7.316
118 HZ3 LYS 15 HZ3 LYS 15 8.285 -4.681 -8.738
119 H HIS 16 HN HIS 16 7.452 -1.597 -1.461
120 HA HIS 16 HA HIS 16 9.257 0.720 -1.511
121 HB2 HIS 16 HB1 HIS 16 6.664 0.318 -0.007
122 HB3 HIS 16 HB2 HIS 16 7.635 1.786 0.007
123 HD1 HIS 16 HD1 HIS 16 5.063 -0.001 -1.931
124 HD2 HIS 16 HD2 HIS 16 7.631 3.219 -2.479
125 HE1 HIS 16 HE1 HIS 16 4.190 1.218 -3.949
126 HE2 HIS 16 HE2 HIS 16 5.758 3.165 -4.263
127 H SER 17 HN SER 17 9.589 1.593 0.862
128 HA SER 17 HA SER 17 11.056 -0.477 2.237
129 HB2 SER 17 HB1 SER 17 12.035 1.758 1.990
130 HB3 SER 17 HB2 SER 17 10.697 2.457 2.901
131 HG SER 17 HG SER 17 12.940 1.521 3.863
132 H THR 18 HN THR 18 10.909 -0.589 4.674
133 HA THR 18 HA THR 18 8.311 -1.403 5.417
134 HB THR 18 HB THR 18 9.239 -1.694 7.686
135 HG1 THR 18 HG1 THR 18 10.674 -0.049 7.944
136 HG21 THR 18 HG21 THR 18 9.595 -3.445 6.021
137 HG22 THR 18 HG22 THR 18 10.981 -3.324 7.105
138 HG23 THR 18 HG23 THR 18 11.070 -2.644 5.480
139 H SER 19 HN SER 19 6.715 0.063 5.539
140 HA SER 19 HA SER 19 6.701 1.948 7.669
141 HB2 SER 19 HB1 SER 19 8.013 3.254 6.043
142 HB3 SER 19 HB2 SER 19 6.724 3.059 4.855
143 HG SER 19 HG SER 19 5.819 4.049 7.227
144 H ILE 20 HN ILE 20 5.240 -0.213 5.963
145 HA ILE 20 HA ILE 20 2.608 1.104 5.911
146 HB ILE 20 HB ILE 20 1.889 -0.743 4.439
147 HG12 ILE 20 HG12 ILE 20 4.812 -1.525 4.530
148 HG13 ILE 20 HG11 ILE 20 3.478 -2.446 5.214
149 HG21 ILE 20 HG21 ILE 20 4.327 0.736 3.461
150 HG22 ILE 20 HG22 ILE 20 2.679 1.363 3.490
151 HG23 ILE 20 HG23 ILE 20 3.087 0.001 2.446
152 HD11 ILE 20 HD11 ILE 20 3.923 -1.878 2.295
153 HD12 ILE 20 HD12 ILE 20 2.559 -2.768 2.970
154 HD13 ILE 20 HD13 ILE 20 4.194 -3.412 3.121
155 H GLY 21 HN GLY 21 0.874 -0.900 6.059
156 HA2 GLY 21 HA1 GLY 21 -0.101 -2.493 7.412
157 HA3 GLY 21 HA2 GLY 21 1.496 -2.855 8.050
158 H LYS 22 HN LYS 22 0.894 -2.969 10.187
159 HA LYS 22 HA LYS 22 -0.507 -0.731 11.401
160 HB2 LYS 22 HB2 LYS 22 0.465 -3.376 12.481
161 HB3 LYS 22 HB1 LYS 22 -0.245 -2.136 13.504
162 HG2 LYS 22 HG1 LYS 22 -1.966 -3.668 13.007
163 HG3 LYS 22 HG2 LYS 22 -2.280 -2.232 12.032
164 HD2 LYS 22 HD1 LYS 22 -2.642 -4.195 10.684
165 HD3 LYS 22 HD2 LYS 22 -1.202 -3.356 10.105
166 HE2 LYS 22 HE2 LYS 22 -0.837 -5.764 10.180
167 HE3 LYS 22 HE1 LYS 22 0.213 -4.930 11.325
168 HZ1 LYS 22 HZ1 LYS 22 -0.758 -6.902 12.309
169 HZ2 LYS 22 HZ2 LYS 22 -2.319 -6.330 11.997
170 HZ3 LYS 22 HZ3 LYS 22 -1.325 -5.517 13.099
Start of MODEL 2
1 H1 ACE 0 HA1 ACE 0 -15.474 1.208 -1.431
2 H2 ACE 0 HA2 ACE 0 -14.247 0.694 -2.587
3 H3 ACE 0 HA3 ACE 0 -14.732 2.388 -2.553
4 H MET 1 HN MET 1 -12.073 1.397 -2.281
5 HA MET 1 HA MET 1 -11.422 1.738 0.530
6 HB2 MET 1 HB1 MET 1 -10.293 -0.024 -0.775
7 HB3 MET 1 HB2 MET 1 -9.596 1.225 -1.804
8 HG2 MET 1 HG1 MET 1 -8.223 0.195 0.154
9 HG3 MET 1 HG2 MET 1 -8.107 1.920 -0.215
10 HE1 MET 1 HE1 MET 1 -7.066 2.369 2.193
11 HE2 MET 1 HE2 MET 1 -7.152 0.644 2.548
12 HE3 MET 1 HE3 MET 1 -7.797 1.814 3.699
13 H ASP 2 HN ASP 2 -12.265 3.872 -1.645
14 HA ASP 2 HA ASP 2 -11.812 6.113 -1.933
15 HB2 ASP 2 HB2 ASP 2 -10.726 5.418 0.737
16 HB3 ASP 2 HB1 ASP 2 -10.102 6.877 0.015
17 H TRP 3 HN TRP 3 -10.145 3.757 -2.627
18 HA TRP 3 HA TRP 3 -7.645 3.715 -2.613
19 HB2 TRP 3 HB1 TRP 3 -9.505 3.236 -4.749
20 HB3 TRP 3 HB2 TRP 3 -7.808 3.297 -5.192
21 HD1 TRP 3 HD1 TRP 3 -9.772 0.788 -4.942
22 HE1 TRP 3 HE1 TRP 3 -8.935 -1.322 -3.715
23 HE3 TRP 3 HE3 TRP 3 -6.295 2.999 -2.068
24 HZ2 TRP 3 HZ2 TRP 3 -6.998 -1.887 -1.715
25 HZ3 TRP 3 HZ3 TRP 3 -5.003 1.645 -0.500
26 HH2 TRP 3 HH2 TRP 3 -5.343 -0.742 -0.328
27 H GLY 4 HN GLY 4 -6.085 4.210 -3.431
28 HA2 GLY 4 HA2 GLY 4 -4.870 5.797 -5.007
29 HA3 GLY 4 HA1 GLY 4 -5.598 7.034 -3.968
30 H THR 5 HN THR 5 -5.471 4.510 -2.139
31 HA THR 5 HA THR 5 -2.945 5.095 -0.858
32 HB THR 5 HB THR 5 -5.635 4.261 0.018
33 HG1 THR 5 HG1 THR 5 -4.968 5.616 1.811
34 HG21 THR 5 HG21 THR 5 -3.960 2.395 0.638
35 HG22 THR 5 HG22 THR 5 -5.010 3.039 1.902
36 HG23 THR 5 HG23 THR 5 -3.325 3.559 1.803
37 H LEU 6 HN LEU 6 -4.225 3.040 -3.014
38 HA LEU 6 HA LEU 6 -3.115 0.580 -2.063
39 HB2 LEU 6 HB1 LEU 6 -3.822 -0.362 -4.234
40 HB3 LEU 6 HB2 LEU 6 -5.098 0.374 -3.302
41 HG LEU 6 HG LEU 6 -3.879 1.500 -5.801
42 HD11 LEU 6 HD11 LEU 6 -6.706 0.759 -5.194
43 HD12 LEU 6 HD12 LEU 6 -5.557 -0.431 -5.837
44 HD13 LEU 6 HD13 LEU 6 -5.962 1.008 -6.783
45 HD21 LEU 6 HD21 LEU 6 -6.052 2.614 -4.072
46 HD22 LEU 6 HD22 LEU 6 -5.549 3.240 -5.652
47 HD23 LEU 6 HD23 LEU 6 -4.439 3.319 -4.285
48 H GLN 7 HN GLN 7 -2.562 1.880 -5.232
49 HA GLN 7 HA GLN 7 -0.218 1.068 -5.938
50 HB2 GLN 7 HB1 GLN 7 0.280 3.770 -6.250
51 HB3 GLN 7 HB2 GLN 7 -0.581 2.745 -7.397
52 HG2 GLN 7 HG1 GLN 7 -1.916 4.660 -6.990
53 HG3 GLN 7 HG2 GLN 7 -2.661 3.302 -6.139
54 HE21 GLN 7 HE21 GLN 7 -2.584 3.210 -3.930
55 HE22 GLN 7 HE22 GLN 7 -2.167 4.552 -2.945
56 H THR 8 HN THR 8 -0.689 3.101 -3.137
57 HA THR 8 HA THR 8 2.172 3.287 -2.644
58 HB THR 8 HB THR 8 0.875 5.340 -2.330
59 HG1 THR 8 HG1 THR 8 2.703 4.472 -0.801
60 HG21 THR 8 HG21 THR 8 -0.930 3.569 -1.117
61 HG22 THR 8 HG22 THR 8 -1.098 5.320 -1.308
62 HG23 THR 8 HG23 THR 8 -0.372 4.659 0.159
63 H ILE 9 HN ILE 9 -0.713 1.894 -1.324
64 HA ILE 9 HA ILE 9 0.896 0.422 0.606
65 HB ILE 9 HB ILE 9 -2.057 0.934 0.795
66 HG12 ILE 9 HG11 ILE 9 -0.775 2.988 1.169
67 HG13 ILE 9 HG12 ILE 9 -1.490 2.422 2.674
68 HG21 ILE 9 HG21 ILE 9 -1.364 -1.180 1.806
69 HG22 ILE 9 HG22 ILE 9 -1.885 -0.020 3.028
70 HG23 ILE 9 HG23 ILE 9 -0.166 -0.324 2.777
71 HD11 ILE 9 HD11 ILE 9 0.664 1.484 3.341
72 HD12 ILE 9 HD12 ILE 9 0.768 3.216 3.028
73 HD13 ILE 9 HD13 ILE 9 1.378 2.067 1.838
74 H LEU 10 HN LEU 10 -1.678 0.285 -1.637
75 HA LEU 10 HA LEU 10 -2.749 -1.322 -2.795
76 HB2 LEU 10 HB2 LEU 10 -0.517 -1.172 -3.819
77 HB3 LEU 10 HB1 LEU 10 -0.028 -2.569 -2.880
78 HG LEU 10 HG LEU 10 -1.540 -3.992 -4.084
79 HD11 LEU 10 HD11 LEU 10 -3.306 -2.095 -4.241
80 HD12 LEU 10 HD12 LEU 10 -3.217 -3.291 -5.532
81 HD13 LEU 10 HD13 LEU 10 -2.497 -1.697 -5.755
82 HD21 LEU 10 HD21 LEU 10 -0.091 -2.072 -5.872
83 HD22 LEU 10 HD22 LEU 10 -0.755 -3.613 -6.419
84 HD23 LEU 10 HD23 LEU 10 0.535 -3.582 -5.211
85 H GLY 11 HN GLY 11 -3.146 -3.657 -3.136
86 HA2 GLY 11 HA1 GLY 11 -4.215 -4.837 -0.905
87 HA3 GLY 11 HA2 GLY 11 -3.796 -5.675 -2.391
88 H GLY 12 HN GLY 12 -0.917 -4.854 -1.950
89 HA2 GLY 12 HA2 GLY 12 0.107 -5.854 0.427
90 HA3 GLY 12 HA1 GLY 12 -0.087 -7.234 -0.642
91 H VAL 13 HN VAL 13 0.703 -4.035 -1.844
92 HA VAL 13 HA VAL 13 2.942 -4.956 -3.265
93 HB VAL 13 HB VAL 13 1.625 -2.910 -3.840
94 HG11 VAL 13 HG11 VAL 13 2.251 -2.212 -1.254
95 HG12 VAL 13 HG12 VAL 13 1.497 -1.170 -2.461
96 HG13 VAL 13 HG13 VAL 13 3.248 -1.136 -2.230
97 HG21 VAL 13 HG21 VAL 13 4.613 -2.562 -3.600
98 HG22 VAL 13 HG22 VAL 13 3.553 -1.640 -4.666
99 HG23 VAL 13 HG23 VAL 13 3.763 -3.374 -4.915
100 H ASN 14 HN ASN 14 5.160 -4.652 -2.964
101 HA ASN 14 HA ASN 14 6.094 -3.575 -0.433
102 HB2 ASN 14 HB1 ASN 14 5.623 -5.912 0.122
103 HB3 ASN 14 HB2 ASN 14 6.617 -6.446 -1.230
104 HD21 ASN 14 HD21 ASN 14 9.142 -6.841 1.131
105 HD22 ASN 14 HD22 ASN 14 7.995 -7.606 0.089
106 H LYS 15 HN LYS 15 7.266 -2.037 -1.502
107 HA LYS 15 HA LYS 15 9.730 -2.941 -2.722
108 HB2 LYS 15 HB1 LYS 15 9.440 -1.518 -4.734
109 HB3 LYS 15 HB2 LYS 15 8.309 -2.863 -4.673
110 HG2 LYS 15 HG2 LYS 15 6.560 -1.356 -3.871
111 HG3 LYS 15 HG1 LYS 15 7.696 -0.007 -3.941
112 HD2 LYS 15 HD2 LYS 15 7.944 -0.342 -6.353
113 HD3 LYS 15 HD1 LYS 15 6.810 -1.692 -6.282
114 HE2 LYS 15 HE1 LYS 15 5.054 -0.183 -5.505
115 HE3 LYS 15 HE2 LYS 15 6.186 1.168 -5.559
116 HZ1 LYS 15 HZ1 LYS 15 5.323 -0.452 -7.894
117 HZ2 LYS 15 HZ2 LYS 15 6.398 0.852 -7.942
118 HZ3 LYS 15 HZ3 LYS 15 4.780 1.107 -7.522
119 H HIS 16 HN HIS 16 8.163 -1.002 -0.661
120 HA HIS 16 HA HIS 16 9.888 1.334 -1.026
121 HB2 HIS 16 HB1 HIS 16 7.568 0.870 0.858
122 HB3 HIS 16 HB2 HIS 16 8.478 2.371 0.728
123 HD1 HIS 16 HD1 HIS 16 5.675 0.532 -0.754
124 HD2 HIS 16 HD2 HIS 16 8.122 3.723 -1.804
125 HE1 HIS 16 HE1 HIS 16 4.495 1.689 -2.650
126 HE2 HIS 16 HE2 HIS 16 5.994 3.617 -3.270
127 H SER 17 HN SER 17 10.457 2.309 1.309
128 HA SER 17 HA SER 17 12.383 0.500 2.395
129 HB2 SER 17 HB1 SER 17 12.947 2.366 3.912
130 HB3 SER 17 HB2 SER 17 12.858 2.897 2.232
131 HG SER 17 HG SER 17 11.664 4.378 3.236
132 H THR 18 HN THR 18 12.551 0.569 4.957
133 HA THR 18 HA THR 18 10.132 -0.750 5.898
134 HB THR 18 HB THR 18 11.475 -1.469 7.811
135 HG1 THR 18 HG1 THR 18 12.870 0.240 8.123
136 HG21 THR 18 HG21 THR 18 11.569 -2.687 5.615
137 HG22 THR 18 HG22 THR 18 12.967 -2.935 6.659
138 HG23 THR 18 HG23 THR 18 13.078 -1.838 5.283
139 H SER 19 HN SER 19 10.730 2.297 5.643
140 HA SER 19 HA SER 19 10.387 3.196 8.371
141 HB2 SER 19 HB2 SER 19 10.358 4.735 5.768
142 HB3 SER 19 HB1 SER 19 10.356 5.458 7.376
143 HG SER 19 HG SER 19 12.459 5.265 6.311
144 H ILE 20 HN ILE 20 8.372 1.643 6.570
145 HA ILE 20 HA ILE 20 6.054 3.402 7.003
146 HB ILE 20 HB ILE 20 4.847 1.899 5.454
147 HG12 ILE 20 HG12 ILE 20 7.565 0.612 5.100
148 HG13 ILE 20 HG11 ILE 20 6.165 -0.136 5.863
149 HG21 ILE 20 HG21 ILE 20 7.410 3.044 4.352
150 HG22 ILE 20 HG22 ILE 20 5.909 3.928 4.621
151 HG23 ILE 20 HG23 ILE 20 5.972 2.646 3.411
152 HD11 ILE 20 HD11 ILE 20 4.961 -0.042 3.742
153 HD12 ILE 20 HD12 ILE 20 6.463 -0.956 3.607
154 HD13 ILE 20 HD13 ILE 20 6.371 0.689 2.978
155 H GLY 21 HN GLY 21 3.998 1.682 7.111
156 HA2 GLY 21 HA2 GLY 21 4.439 -0.540 8.852
157 HA3 GLY 21 HA1 GLY 21 3.848 0.863 9.732
158 H LYS 22 HN LYS 22 2.285 -1.252 9.889
159 HA LYS 22 HA LYS 22 0.141 -0.783 7.926
160 HB2 LYS 22 HB1 LYS 22 -0.657 -3.096 8.605
161 HB3 LYS 22 HB2 LYS 22 0.823 -3.028 7.661
162 HG2 LYS 22 HG2 LYS 22 0.953 -3.137 10.643
163 HG3 LYS 22 HG1 LYS 22 0.676 -4.605 9.705
164 HD2 LYS 22 HD2 LYS 22 2.735 -4.178 8.442
165 HD3 LYS 22 HD1 LYS 22 3.015 -2.723 9.401
166 HE2 LYS 22 HE2 LYS 22 3.150 -4.083 11.427
167 HE3 LYS 22 HE1 LYS 22 2.863 -5.538 10.473
168 HZ1 LYS 22 HZ1 LYS 22 5.193 -3.716 10.195
169 HZ2 LYS 22 HZ2 LYS 22 4.919 -5.108 9.273
170 HZ3 LYS 22 HZ3 LYS 22 5.211 -5.239 10.934
Start of MODEL 3
1 H1 ACE 0 HA1 ACE 0 -14.862 1.614 -1.017
2 H2 ACE 0 HA2 ACE 0 -14.680 -0.134 -0.892
3 H3 ACE 0 HA3 ACE 0 -13.825 0.724 -2.172
4 H MET 1 HN MET 1 -12.170 2.249 -1.541
5 HA MET 1 HA MET 1 -11.095 1.945 1.141
6 HB2 MET 1 HB1 MET 1 -10.083 0.121 -0.175
7 HB3 MET 1 HB2 MET 1 -9.455 1.321 -1.302
8 HG2 MET 1 HG1 MET 1 -7.948 0.350 0.587
9 HG3 MET 1 HG2 MET 1 -7.844 2.059 0.143
10 HE1 MET 1 HE1 MET 1 -6.611 2.560 2.451
11 HE2 MET 1 HE2 MET 1 -6.708 0.853 2.884
12 HE3 MET 1 HE3 MET 1 -7.242 2.085 4.028
13 H ASP 2 HN ASP 2 -12.081 4.000 -1.049
14 HA ASP 2 HA ASP 2 -11.633 6.222 -1.462
15 HB2 ASP 2 HB2 ASP 2 -10.354 5.623 1.146
16 HB3 ASP 2 HB1 ASP 2 -9.779 7.047 0.319
17 H TRP 3 HN TRP 3 -10.043 3.822 -2.184
18 HA TRP 3 HA TRP 3 -7.548 3.755 -2.356
19 HB2 TRP 3 HB1 TRP 3 -9.570 3.209 -4.325
20 HB3 TRP 3 HB2 TRP 3 -7.910 3.233 -4.897
21 HD1 TRP 3 HD1 TRP 3 -9.871 0.759 -4.396
22 HE1 TRP 3 HE1 TRP 3 -8.960 -1.310 -3.150
23 HE3 TRP 3 HE3 TRP 3 -6.169 3.044 -1.883
24 HZ2 TRP 3 HZ2 TRP 3 -6.882 -1.815 -1.279
25 HZ3 TRP 3 HZ3 TRP 3 -4.773 1.741 -0.363
26 HH2 TRP 3 HH2 TRP 3 -5.118 -0.635 -0.068
27 H GLY 4 HN GLY 4 -6.053 4.197 -3.316
28 HA2 GLY 4 HA2 GLY 4 -4.948 5.703 -5.040
29 HA3 GLY 4 HA1 GLY 4 -5.587 6.991 -4.005
30 H THR 5 HN THR 5 -5.342 4.543 -2.086
31 HA THR 5 HA THR 5 -2.724 5.153 -1.021
32 HB THR 5 HB THR 5 -5.347 4.384 0.086
33 HG1 THR 5 HG1 THR 5 -4.848 6.373 0.687
34 HG21 THR 5 HG21 THR 5 -3.646 2.530 0.661
35 HG22 THR 5 HG22 THR 5 -4.591 3.241 1.972
36 HG23 THR 5 HG23 THR 5 -2.916 3.735 1.721
37 H LEU 6 HN LEU 6 -4.178 3.023 -2.986
38 HA LEU 6 HA LEU 6 -3.020 0.594 -2.018
39 HB2 LEU 6 HB1 LEU 6 -3.892 -0.428 -4.088
40 HB3 LEU 6 HB2 LEU 6 -5.090 0.358 -3.096
41 HG LEU 6 HG LEU 6 -4.053 1.367 -5.723
42 HD11 LEU 6 HD11 LEU 6 -6.831 0.683 -4.875
43 HD12 LEU 6 HD12 LEU 6 -5.744 -0.545 -5.555
44 HD13 LEU 6 HD13 LEU 6 -6.209 0.859 -6.524
45 HD21 LEU 6 HD21 LEU 6 -6.079 2.576 -3.884
46 HD22 LEU 6 HD22 LEU 6 -5.694 3.130 -5.522
47 HD23 LEU 6 HD23 LEU 6 -4.482 3.253 -4.248
48 H GLN 7 HN GLN 7 -2.693 1.759 -5.269
49 HA GLN 7 HA GLN 7 -0.415 0.892 -6.113
50 HB2 GLN 7 HB1 GLN 7 0.083 3.572 -6.571
51 HB3 GLN 7 HB2 GLN 7 -0.869 2.512 -7.608
52 HG2 GLN 7 HG1 GLN 7 -2.154 4.457 -7.184
53 HG3 GLN 7 HG2 GLN 7 -2.845 3.143 -6.224
54 HE21 GLN 7 HE21 GLN 7 -2.606 3.139 -4.027
55 HE22 GLN 7 HE22 GLN 7 -2.106 4.516 -3.131
56 H THR 8 HN THR 8 -0.659 3.041 -3.370
57 HA THR 8 HA THR 8 2.232 3.211 -3.097
58 HB THR 8 HB THR 8 0.980 5.291 -2.775
59 HG1 THR 8 HG1 THR 8 2.950 4.814 -1.543
60 HG21 THR 8 HG21 THR 8 -0.746 3.596 -1.357
61 HG22 THR 8 HG22 THR 8 -0.909 5.340 -1.605
62 HG23 THR 8 HG23 THR 8 -0.081 4.727 -0.172
63 H ILE 9 HN ILE 9 -0.562 1.911 -1.508
64 HA ILE 9 HA ILE 9 1.173 0.504 0.360
65 HB ILE 9 HB ILE 9 -1.753 1.064 0.737
66 HG12 ILE 9 HG11 ILE 9 -0.415 3.106 0.943
67 HG13 ILE 9 HG12 ILE 9 -1.034 2.610 2.514
68 HG21 ILE 9 HG21 ILE 9 0.264 -0.195 2.589
69 HG22 ILE 9 HG22 ILE 9 -1.080 -1.012 1.791
70 HG23 ILE 9 HG23 ILE 9 -1.397 0.217 3.015
71 HD11 ILE 9 HD11 ILE 9 1.762 2.161 1.501
72 HD12 ILE 9 HD12 ILE 9 1.142 1.664 3.075
73 HD13 ILE 9 HD13 ILE 9 1.259 3.378 2.674
74 H LEU 10 HN LEU 10 -1.554 0.298 -1.689
75 HA LEU 10 HA LEU 10 -2.719 -1.346 -2.693
76 HB2 LEU 10 HB2 LEU 10 -0.571 -1.255 -3.887
77 HB3 LEU 10 HB1 LEU 10 -0.018 -2.615 -2.931
78 HG LEU 10 HG LEU 10 -1.622 -4.075 -3.958
79 HD11 LEU 10 HD11 LEU 10 -3.382 -2.163 -4.065
80 HD12 LEU 10 HD12 LEU 10 -3.403 -3.425 -5.296
81 HD13 LEU 10 HD13 LEU 10 -2.690 -1.853 -5.656
82 HD21 LEU 10 HD21 LEU 10 -0.300 -2.243 -5.927
83 HD22 LEU 10 HD22 LEU 10 -1.010 -3.800 -6.358
84 HD23 LEU 10 HD23 LEU 10 0.364 -3.729 -5.251
85 H GLY 11 HN GLY 11 -3.162 -3.682 -2.909
86 HA2 GLY 11 HA1 GLY 11 -4.043 -4.764 -0.540
87 HA3 GLY 11 HA2 GLY 11 -3.794 -5.652 -2.036
88 H GLY 12 HN GLY 12 -0.871 -4.882 -1.913
89 HA2 GLY 12 HA2 GLY 12 0.378 -5.835 0.372
90 HA3 GLY 12 HA1 GLY 12 0.042 -7.243 -0.623
91 H VAL 13 HN VAL 13 0.792 -4.079 -1.955
92 HA VAL 13 HA VAL 13 2.786 -5.055 -3.648
93 HB VAL 13 HB VAL 13 1.581 -2.948 -4.058
94 HG11 VAL 13 HG11 VAL 13 2.107 -2.378 -1.511
95 HG12 VAL 13 HG12 VAL 13 1.693 -1.148 -2.706
96 HG13 VAL 13 HG13 VAL 13 3.383 -1.438 -2.281
97 HG21 VAL 13 HG21 VAL 13 3.489 -1.669 -4.909
98 HG22 VAL 13 HG22 VAL 13 3.661 -3.392 -5.251
99 HG23 VAL 13 HG23 VAL 13 4.582 -2.657 -3.939
100 H ASN 14 HN ASN 14 5.036 -4.939 -3.612
101 HA ASN 14 HA ASN 14 6.178 -4.744 -0.916
102 HB2 ASN 14 HB1 ASN 14 7.282 -6.043 -3.414
103 HB3 ASN 14 HB2 ASN 14 8.078 -6.028 -1.844
104 HD21 ASN 14 HD21 ASN 14 5.105 -7.993 -0.590
105 HD22 ASN 14 HD22 ASN 14 5.572 -6.343 -0.386
106 H LYS 15 HN LYS 15 6.735 -2.661 -0.586
107 HA LYS 15 HA LYS 15 8.812 -1.557 -2.316
108 HB2 LYS 15 HB1 LYS 15 6.268 -0.104 -1.580
109 HB3 LYS 15 HB2 LYS 15 7.694 0.690 -2.231
110 HG2 LYS 15 HG2 LYS 15 7.512 -0.678 -4.261
111 HG3 LYS 15 HG1 LYS 15 6.052 -1.425 -3.608
112 HD2 LYS 15 HD2 LYS 15 4.936 0.732 -3.569
113 HD3 LYS 15 HD1 LYS 15 6.405 1.522 -4.147
114 HE2 LYS 15 HE1 LYS 15 4.804 -0.550 -5.643
115 HE3 LYS 15 HE2 LYS 15 4.803 1.184 -5.960
116 HZ1 LYS 15 HZ1 LYS 15 7.152 1.049 -6.509
117 HZ2 LYS 15 HZ2 LYS 15 6.250 0.009 -7.491
118 HZ3 LYS 15 HZ3 LYS 15 7.152 -0.616 -6.205
119 H HIS 16 HN HIS 16 7.665 -2.280 0.703
120 HA HIS 16 HA HIS 16 8.927 -0.096 2.127
121 HB2 HIS 16 HB2 HIS 16 7.686 -2.654 3.159
122 HB3 HIS 16 HB1 HIS 16 8.213 -1.300 4.153
123 HD1 HIS 16 HD1 HIS 16 5.355 -2.561 2.258
124 HD2 HIS 16 HD2 HIS 16 6.632 1.104 3.741
125 HE1 HIS 16 HE1 HIS 16 3.326 -1.075 2.216
126 HE2 HIS 16 HE2 HIS 16 4.122 1.139 3.119
127 H SER 17 HN SER 17 10.144 -2.613 0.509
128 HA SER 17 HA SER 17 12.105 -3.762 0.522
129 HB2 SER 17 HB1 SER 17 12.901 -1.642 2.533
130 HB3 SER 17 HB2 SER 17 14.015 -2.728 1.704
131 HG SER 17 HG SER 17 12.307 -0.825 0.470
132 H THR 18 HN THR 18 13.896 -4.563 2.337
133 HA THR 18 HA THR 18 12.411 -6.445 3.904
134 HB THR 18 HB THR 18 14.613 -7.283 4.624
135 HG1 THR 18 HG1 THR 18 15.793 -5.310 2.964
136 HG21 THR 18 HG21 THR 18 13.690 -8.052 2.494
137 HG22 THR 18 HG22 THR 18 15.448 -7.947 2.415
138 HG23 THR 18 HG23 THR 18 14.455 -6.697 1.665
139 H SER 19 HN SER 19 14.083 -6.693 6.158
140 HA SER 19 HA SER 19 14.321 -5.983 8.300
141 HB2 SER 19 HB2 SER 19 14.130 -3.221 7.085
142 HB3 SER 19 HB1 SER 19 14.678 -3.580 8.722
143 HG SER 19 HG SER 19 16.572 -3.925 7.910
144 H ILE 20 HN ILE 20 11.627 -6.045 6.755
145 HA ILE 20 HA ILE 20 10.011 -4.667 8.793
146 HB ILE 20 HB ILE 20 8.134 -4.861 7.194
147 HG12 ILE 20 HG12 ILE 20 10.260 -5.884 5.296
148 HG13 ILE 20 HG11 ILE 20 8.961 -6.852 5.986
149 HG21 ILE 20 HG21 ILE 20 10.588 -3.503 6.089
150 HG22 ILE 20 HG22 ILE 20 9.475 -2.828 7.278
151 HG23 ILE 20 HG23 ILE 20 8.922 -3.148 5.635
152 HD11 ILE 20 HD11 ILE 20 8.452 -6.215 3.708
153 HD12 ILE 20 HD12 ILE 20 8.618 -4.511 4.130
154 HD13 ILE 20 HD13 ILE 20 7.315 -5.470 4.831
155 H GLY 21 HN GLY 21 7.634 -5.969 8.549
156 HA2 GLY 21 HA2 GLY 21 7.514 -8.700 8.414
157 HA3 GLY 21 HA1 GLY 21 8.137 -8.375 10.025
158 H LYS 22 HN LYS 22 6.021 -9.607 10.406
159 HA LYS 22 HA LYS 22 3.672 -7.880 10.282
160 HB2 LYS 22 HB1 LYS 22 4.050 -10.785 10.999
161 HB3 LYS 22 HB2 LYS 22 2.522 -9.948 11.233
162 HG2 LYS 22 HG1 LYS 22 2.360 -11.102 9.181
163 HG3 LYS 22 HG2 LYS 22 2.562 -9.395 8.785
164 HD2 LYS 22 HD1 LYS 22 3.944 -10.710 7.317
165 HD3 LYS 22 HD2 LYS 22 4.980 -9.810 8.425
166 HE2 LYS 22 HE1 LYS 22 5.763 -12.104 8.155
167 HE3 LYS 22 HE2 LYS 22 5.240 -11.800 9.812
168 HZ1 LYS 22 HZ1 LYS 22 3.145 -12.895 9.315
169 HZ2 LYS 22 HZ2 LYS 22 4.445 -13.934 9.011
170 HZ3 LYS 22 HZ3 LYS 22 3.644 -13.184 7.724
Start of MODEL 4
1 H1 ACE 0 HA1 ACE 0 -13.805 1.205 -2.704
2 H2 ACE 0 HA2 ACE 0 -14.960 1.272 -1.375
3 H3 ACE 0 HA3 ACE 0 -14.305 -0.291 -1.859
4 H MET 1 HN MET 1 -12.095 2.289 -1.979
5 HA MET 1 HA MET 1 -11.140 1.899 0.731
6 HB2 MET 1 HB1 MET 1 -10.076 0.091 -0.567
7 HB3 MET 1 HB2 MET 1 -9.382 1.306 -1.637
8 HG2 MET 1 HG1 MET 1 -7.979 0.289 0.307
9 HG3 MET 1 HG2 MET 1 -7.842 2.006 -0.098
10 HE1 MET 1 HE1 MET 1 -7.439 1.931 3.816
11 HE2 MET 1 HE2 MET 1 -6.736 2.478 2.294
12 HE3 MET 1 HE3 MET 1 -6.842 0.754 2.647
13 H ASP 2 HN ASP 2 -12.000 4.001 -1.470
14 HA ASP 2 HA ASP 2 -11.515 6.226 -1.818
15 HB2 ASP 2 HB2 ASP 2 -10.377 5.571 0.840
16 HB3 ASP 2 HB1 ASP 2 -9.747 7.003 0.071
17 H TRP 3 HN TRP 3 -9.907 3.826 -2.499
18 HA TRP 3 HA TRP 3 -7.409 3.742 -2.546
19 HB2 TRP 3 HB1 TRP 3 -9.330 3.248 -4.626
20 HB3 TRP 3 HB2 TRP 3 -7.643 3.270 -5.111
21 HD1 TRP 3 HD1 TRP 3 -9.644 0.803 -4.758
22 HE1 TRP 3 HE1 TRP 3 -8.813 -1.295 -3.506
23 HE3 TRP 3 HE3 TRP 3 -6.058 3.011 -2.019
24 HZ2 TRP 3 HZ2 TRP 3 -6.838 -1.852 -1.543
25 HZ3 TRP 3 HZ3 TRP 3 -4.751 1.669 -0.454
26 HH2 TRP 3 HH2 TRP 3 -5.128 -0.709 -0.222
27 H GLY 4 HN GLY 4 -5.861 4.188 -3.417
28 HA2 GLY 4 HA2 GLY 4 -4.659 5.718 -5.055
29 HA3 GLY 4 HA1 GLY 4 -5.340 6.992 -4.027
30 H THR 5 HN THR 5 -5.210 4.504 -2.147
31 HA THR 5 HA THR 5 -2.644 5.073 -0.941
32 HB THR 5 HB THR 5 -5.326 4.307 0.019
33 HG1 THR 5 HG1 THR 5 -4.979 6.066 1.132
34 HG21 THR 5 HG21 THR 5 -3.669 2.425 0.640
35 HG22 THR 5 HG22 THR 5 -4.675 3.116 1.916
36 HG23 THR 5 HG23 THR 5 -2.985 3.603 1.761
37 H LEU 6 HN LEU 6 -4.013 2.994 -3.018
38 HA LEU 6 HA LEU 6 -2.923 0.537 -2.041
39 HB2 LEU 6 HB1 LEU 6 -3.701 -0.439 -4.171
40 HB3 LEU 6 HB2 LEU 6 -4.940 0.340 -3.225
41 HG LEU 6 HG LEU 6 -3.764 1.388 -5.778
42 HD11 LEU 6 HD11 LEU 6 -6.587 0.712 -5.084
43 HD12 LEU 6 HD12 LEU 6 -5.477 -0.512 -5.730
44 HD13 LEU 6 HD13 LEU 6 -5.880 0.913 -6.695
45 HD21 LEU 6 HD21 LEU 6 -5.872 2.579 -4.020
46 HD22 LEU 6 HD22 LEU 6 -5.400 3.161 -5.626
47 HD23 LEU 6 HD23 LEU 6 -4.253 3.251 -4.290
48 H GLN 7 HN GLN 7 -2.428 1.764 -5.250
49 HA GLN 7 HA GLN 7 -0.118 0.893 -5.998
50 HB2 GLN 7 HB1 GLN 7 0.424 3.579 -6.375
51 HB3 GLN 7 HB2 GLN 7 -0.485 2.549 -7.480
52 HG2 GLN 7 HG1 GLN 7 -1.774 4.496 -7.079
53 HG3 GLN 7 HG2 GLN 7 -2.521 3.168 -6.181
54 HE21 GLN 7 HE21 GLN 7 -2.390 3.118 -3.975
55 HE22 GLN 7 HE22 GLN 7 -1.925 4.471 -3.027
56 H THR 8 HN THR 8 -0.479 2.988 -3.226
57 HA THR 8 HA THR 8 2.396 3.125 -2.807
58 HB THR 8 HB THR 8 1.146 5.209 -2.500
59 HG1 THR 8 HG1 THR 8 1.815 5.321 -0.063
60 HG21 THR 8 HG21 THR 8 -0.662 3.500 -1.210
61 HG22 THR 8 HG22 THR 8 -0.795 5.252 -1.418
62 HG23 THR 8 HG23 THR 8 -0.043 4.591 0.036
63 H ILE 9 HN ILE 9 -0.484 1.819 -1.385
64 HA ILE 9 HA ILE 9 1.143 0.351 0.532
65 HB ILE 9 HB ILE 9 -1.796 0.927 0.768
66 HG12 ILE 9 HG11 ILE 9 -0.450 2.950 1.098
67 HG13 ILE 9 HG12 ILE 9 -1.162 2.421 2.619
68 HG21 ILE 9 HG21 ILE 9 0.110 -0.401 2.688
69 HG22 ILE 9 HG22 ILE 9 -1.200 -1.180 1.801
70 HG23 ILE 9 HG23 ILE 9 -1.566 0.020 3.040
71 HD11 ILE 9 HD11 ILE 9 0.970 1.438 3.277
72 HD12 ILE 9 HD12 ILE 9 1.126 3.159 2.926
73 HD13 ILE 9 HD13 ILE 9 1.683 1.966 1.752
74 H LEU 10 HN LEU 10 -1.484 0.214 -1.650
75 HA LEU 10 HA LEU 10 -2.606 -1.395 -2.755
76 HB2 LEU 10 HB2 LEU 10 -0.397 -1.295 -3.834
77 HB3 LEU 10 HB1 LEU 10 0.093 -2.684 -2.884
78 HG LEU 10 HG LEU 10 -1.469 -4.102 -4.028
79 HD11 LEU 10 HD11 LEU 10 -3.210 -2.179 -4.174
80 HD12 LEU 10 HD12 LEU 10 -3.172 -3.400 -5.444
81 HD13 LEU 10 HD13 LEU 10 -2.432 -1.822 -5.715
82 HD21 LEU 10 HD21 LEU 10 -0.036 -2.234 -5.883
83 HD22 LEU 10 HD22 LEU 10 -0.736 -3.773 -6.387
84 HD23 LEU 10 HD23 LEU 10 0.583 -3.743 -5.212
85 H GLY 11 HN GLY 11 -3.057 -3.720 -3.045
86 HA2 GLY 11 HA1 GLY 11 -4.076 -4.847 -0.761
87 HA3 GLY 11 HA2 GLY 11 -3.737 -5.708 -2.253
88 H GLY 12 HN GLY 12 -0.823 -4.975 -1.945
89 HA2 GLY 12 HA2 GLY 12 0.260 -5.984 0.409
90 HA3 GLY 12 HA1 GLY 12 -0.005 -7.361 -0.650
91 H VAL 13 HN VAL 13 0.826 -4.180 -1.875
92 HA VAL 13 HA VAL 13 2.984 -5.147 -3.384
93 HB VAL 13 HB VAL 13 1.714 -3.062 -3.894
94 HG11 VAL 13 HG11 VAL 13 2.267 -2.416 -1.338
95 HG12 VAL 13 HG12 VAL 13 1.749 -1.259 -2.565
96 HG13 VAL 13 HG13 VAL 13 3.465 -1.445 -2.189
97 HG21 VAL 13 HG21 VAL 13 4.716 -2.809 -3.731
98 HG22 VAL 13 HG22 VAL 13 3.661 -1.805 -4.726
99 HG23 VAL 13 HG23 VAL 13 3.795 -3.535 -5.049
100 H ASN 14 HN ASN 14 5.237 -4.809 -3.179
101 HA ASN 14 HA ASN 14 6.118 -4.662 -0.386
102 HB2 ASN 14 HB2 ASN 14 7.552 -5.714 -2.832
103 HB3 ASN 14 HB1 ASN 14 8.190 -5.738 -1.191
104 HD21 ASN 14 HD21 ASN 14 5.590 -6.340 -0.016
105 HD22 ASN 14 HD22 ASN 14 5.287 -8.007 -0.358
106 H LYS 15 HN LYS 15 5.555 -2.430 -2.453
107 HA LYS 15 HA LYS 15 8.179 -1.124 -2.427
108 HB2 LYS 15 HB1 LYS 15 5.633 -0.368 -3.872
109 HB3 LYS 15 HB2 LYS 15 7.162 0.493 -3.993
110 HG2 LYS 15 HG2 LYS 15 8.209 -1.484 -4.967
111 HG3 LYS 15 HG1 LYS 15 6.684 -2.361 -4.829
112 HD2 LYS 15 HD1 LYS 15 6.924 -1.576 -7.089
113 HD3 LYS 15 HD2 LYS 15 5.633 -0.664 -6.305
114 HE2 LYS 15 HE1 LYS 15 7.179 1.186 -5.903
115 HE3 LYS 15 HE2 LYS 15 8.475 0.276 -6.678
116 HZ1 LYS 15 HZ1 LYS 15 5.969 1.176 -7.994
117 HZ2 LYS 15 HZ2 LYS 15 7.213 0.304 -8.738
118 HZ3 LYS 15 HZ3 LYS 15 7.495 1.880 -8.191
119 H HIS 16 HN HIS 16 8.505 -0.146 -0.519
120 HA HIS 16 HA HIS 16 6.615 1.935 0.272
121 HB2 HIS 16 HB1 HIS 16 7.592 -0.256 2.109
122 HB3 HIS 16 HB2 HIS 16 6.841 1.231 2.677
123 HD1 HIS 16 HD1 HIS 16 6.053 -2.137 1.579
124 HD2 HIS 16 HD2 HIS 16 4.077 1.516 1.723
125 HE1 HIS 16 HE1 HIS 16 3.608 -2.684 1.354
126 HE2 HIS 16 HE2 HIS 16 2.432 -0.459 1.443
127 H SER 17 HN SER 17 7.619 3.191 2.216
128 HA SER 17 HA SER 17 10.520 3.456 1.781
129 HB2 SER 17 HB1 SER 17 8.521 5.705 2.120
130 HB3 SER 17 HB2 SER 17 10.270 5.904 2.016
131 HG SER 17 HG SER 17 8.802 6.069 0.021
132 H THR 18 HN THR 18 8.106 2.801 3.938
133 HA THR 18 HA THR 18 9.841 3.476 6.213
134 HB THR 18 HB THR 18 7.840 3.978 7.580
135 HG1 THR 18 HG1 THR 18 5.949 3.530 6.764
136 HG21 THR 18 HG21 THR 18 8.195 5.682 5.115
137 HG22 THR 18 HG22 THR 18 9.080 5.828 6.633
138 HG23 THR 18 HG23 THR 18 7.354 6.193 6.579
139 H SER 19 HN SER 19 10.337 1.744 7.370
140 HA SER 19 HA SER 19 9.380 -0.818 6.840
141 HB2 SER 19 HB1 SER 19 10.694 0.236 9.353
142 HB3 SER 19 HB2 SER 19 10.455 -1.471 8.979
143 HG SER 19 HG SER 19 12.174 -1.384 7.792
144 H ILE 20 HN ILE 20 7.895 -2.150 7.824
145 HA ILE 20 HA ILE 20 6.203 -1.038 9.927
146 HB ILE 20 HB ILE 20 4.168 -1.700 8.686
147 HG12 ILE 20 HG12 ILE 20 6.109 -2.057 6.392
148 HG13 ILE 20 HG11 ILE 20 5.189 -3.336 7.177
149 HG21 ILE 20 HG21 ILE 20 5.974 0.375 7.459
150 HG22 ILE 20 HG22 ILE 20 4.728 0.610 8.688
151 HG23 ILE 20 HG23 ILE 20 4.268 0.202 7.035
152 HD11 ILE 20 HD11 ILE 20 4.040 -1.063 5.580
153 HD12 ILE 20 HD12 ILE 20 3.111 -2.324 6.387
154 HD13 ILE 20 HD13 ILE 20 4.193 -2.740 5.058
155 H GLY 21 HN GLY 21 4.283 -2.917 10.108
156 HA2 GLY 21 HA1 GLY 21 3.813 -5.076 10.754
157 HA3 GLY 21 HA2 GLY 21 5.215 -5.592 9.829
158 H LYS 22 HN LYS 22 7.060 -6.118 10.877
159 HA LYS 22 HA LYS 22 6.930 -6.236 13.773
160 HB2 LYS 22 HB1 LYS 22 8.878 -7.355 11.759
161 HB3 LYS 22 HB2 LYS 22 9.117 -7.496 13.494
162 HG2 LYS 22 HG1 LYS 22 8.158 -9.526 12.802
163 HG3 LYS 22 HG2 LYS 22 6.860 -8.624 13.587
164 HD2 LYS 22 HD2 LYS 22 6.007 -7.933 11.410
165 HD3 LYS 22 HD1 LYS 22 7.322 -8.797 10.610
166 HE2 LYS 22 HE1 LYS 22 6.501 -10.904 11.561
167 HE3 LYS 22 HE2 LYS 22 5.178 -10.033 12.334
168 HZ1 LYS 22 HZ1 LYS 22 5.643 -10.227 9.407
169 HZ2 LYS 22 HZ2 LYS 22 4.374 -9.389 10.147
170 HZ3 LYS 22 HZ3 LYS 22 4.464 -11.073 10.279
Start of MODEL 5
1 H1 ACE 0 HA1 ACE 0 -15.231 0.178 -2.733
2 H2 ACE 0 HA2 ACE 0 -14.038 -0.735 -3.653
3 H3 ACE 0 HA3 ACE 0 -14.125 1.012 -3.865
4 H MET 1 HN MET 1 -12.269 1.774 -3.113
5 HA MET 1 HA MET 1 -11.660 1.350 -0.302
6 HB2 MET 1 HB1 MET 1 -10.330 -0.334 -1.515
7 HB3 MET 1 HB2 MET 1 -9.590 0.964 -2.450
8 HG2 MET 1 HG1 MET 1 -8.369 -0.046 -0.386
9 HG3 MET 1 HG2 MET 1 -8.301 1.693 -0.706
10 HE1 MET 1 HE1 MET 1 -9.813 -1.183 1.493
11 HE2 MET 1 HE2 MET 1 -11.262 -0.490 0.764
12 HE3 MET 1 HE3 MET 1 -10.976 -0.313 2.495
13 H ASP 2 HN ASP 2 -12.375 3.494 -2.512
14 HA ASP 2 HA ASP 2 -11.995 5.757 -2.713
15 HB2 ASP 2 HB2 ASP 2 -11.144 5.050 0.039
16 HB3 ASP 2 HB1 ASP 2 -10.527 6.554 -0.593
17 H TRP 3 HN TRP 3 -10.166 3.490 -3.280
18 HA TRP 3 HA TRP 3 -7.681 3.556 -3.018
19 HB2 TRP 3 HB1 TRP 3 -9.299 3.040 -5.335
20 HB3 TRP 3 HB2 TRP 3 -7.572 3.183 -5.608
21 HD1 TRP 3 HD1 TRP 3 -9.433 0.588 -5.595
22 HE1 TRP 3 HE1 TRP 3 -8.626 -1.510 -4.326
23 HE3 TRP 3 HE3 TRP 3 -6.362 2.885 -2.350
24 HZ2 TRP 3 HZ2 TRP 3 -6.873 -2.032 -2.153
25 HZ3 TRP 3 HZ3 TRP 3 -5.173 1.557 -0.683
26 HH2 TRP 3 HH2 TRP 3 -5.418 -0.847 -0.587
27 H GLY 4 HN GLY 4 -6.072 4.134 -3.666
28 HA2 GLY 4 HA2 GLY 4 -4.781 5.804 -5.089
29 HA3 GLY 4 HA1 GLY 4 -5.661 6.987 -4.106
30 H THR 5 HN THR 5 -5.602 4.433 -2.316
31 HA THR 5 HA THR 5 -3.243 5.098 -0.783
32 HB THR 5 HB THR 5 -5.966 4.132 -0.190
33 HG1 THR 5 HG1 THR 5 -4.920 5.381 1.854
34 HG21 THR 5 HG21 THR 5 -4.282 2.329 0.565
35 HG22 THR 5 HG22 THR 5 -5.473 2.907 1.732
36 HG23 THR 5 HG23 THR 5 -3.810 3.496 1.801
37 H LEU 6 HN LEU 6 -4.214 3.033 -3.085
38 HA LEU 6 HA LEU 6 -3.099 0.603 -2.069
39 HB2 LEU 6 HB1 LEU 6 -3.541 -0.319 -4.318
40 HB3 LEU 6 HB2 LEU 6 -4.935 0.340 -3.506
41 HG LEU 6 HG LEU 6 -3.524 1.572 -5.849
42 HD11 LEU 6 HD11 LEU 6 -6.361 0.696 -5.540
43 HD12 LEU 6 HD12 LEU 6 -5.102 -0.425 -6.093
44 HD13 LEU 6 HD13 LEU 6 -5.480 1.019 -7.041
45 HD21 LEU 6 HD21 LEU 6 -5.904 2.556 -4.326
46 HD22 LEU 6 HD22 LEU 6 -5.277 3.236 -5.837
47 HD23 LEU 6 HD23 LEU 6 -4.311 3.332 -4.366
48 H GLN 7 HN GLN 7 -2.291 1.992 -5.141
49 HA GLN 7 HA GLN 7 0.147 1.289 -5.622
50 HB2 GLN 7 HB1 GLN 7 0.552 4.014 -5.851
51 HB3 GLN 7 HB2 GLN 7 -0.147 2.972 -7.088
52 HG2 GLN 7 HG1 GLN 7 -1.598 4.824 -6.791
53 HG3 GLN 7 HG2 GLN 7 -2.362 3.419 -6.035
54 HE21 GLN 7 HE21 GLN 7 -2.499 3.290 -3.832
55 HE22 GLN 7 HE22 GLN 7 -2.241 4.630 -2.792
56 H THR 8 HN THR 8 -0.691 3.244 -2.853
57 HA THR 8 HA THR 8 2.096 3.550 -2.077
58 HB THR 8 HB THR 8 0.676 5.539 -1.877
59 HG1 THR 8 HG1 THR 8 1.093 5.001 0.795
60 HG21 THR 8 HG21 THR 8 -1.150 3.673 -0.859
61 HG22 THR 8 HG22 THR 8 -1.379 5.419 -1.037
62 HG23 THR 8 HG23 THR 8 -0.762 4.760 0.480
63 H ILE 9 HN ILE 9 -0.838 2.005 -1.072
64 HA ILE 9 HA ILE 9 0.640 0.581 0.993
65 HB ILE 9 HB ILE 9 -2.335 0.978 0.917
66 HG12 ILE 9 HG11 ILE 9 -1.172 3.074 1.424
67 HG13 ILE 9 HG12 ILE 9 -1.998 2.464 2.853
68 HG21 ILE 9 HG21 ILE 9 -1.651 -1.120 1.970
69 HG22 ILE 9 HG22 ILE 9 -2.333 0.002 3.146
70 HG23 ILE 9 HG23 ILE 9 -0.587 -0.228 3.055
71 HD11 ILE 9 HD11 ILE 9 0.945 2.212 2.280
72 HD12 ILE 9 HD12 ILE 9 0.114 1.609 3.714
73 HD13 ILE 9 HD13 ILE 9 0.194 3.343 3.406
74 H LEU 10 HN LEU 10 -1.694 0.376 -1.493
75 HA LEU 10 HA LEU 10 -2.594 -1.260 -2.752
76 HB2 LEU 10 HB2 LEU 10 -0.297 -1.012 -3.575
77 HB3 LEU 10 HB1 LEU 10 0.176 -2.385 -2.595
78 HG LEU 10 HG LEU 10 -1.166 -3.874 -3.922
79 HD11 LEU 10 HD11 LEU 10 -2.970 -2.019 -4.261
80 HD12 LEU 10 HD12 LEU 10 -2.741 -3.250 -5.501
81 HD13 LEU 10 HD13 LEU 10 -2.044 -1.644 -5.713
82 HD21 LEU 10 HD21 LEU 10 0.376 -1.901 -5.567
83 HD22 LEU 10 HD22 LEU 10 -0.179 -3.460 -6.177
84 HD23 LEU 10 HD23 LEU 10 0.985 -3.392 -4.851
85 H GLY 11 HN GLY 11 -2.912 -3.579 -3.143
86 HA2 GLY 11 HA1 GLY 11 -4.068 -4.834 -0.981
87 HA3 GLY 11 HA2 GLY 11 -3.592 -5.614 -2.482
88 H GLY 12 HN GLY 12 -0.752 -4.719 -1.889
89 HA2 GLY 12 HA2 GLY 12 0.258 -5.765 0.453
90 HA3 GLY 12 HA1 GLY 12 0.083 -7.140 -0.628
91 H VAL 13 HN VAL 13 0.916 -3.853 -1.613
92 HA VAL 13 HA VAL 13 3.038 -4.632 -3.228
93 HB VAL 13 HB VAL 13 1.973 -2.476 -3.514
94 HG11 VAL 13 HG11 VAL 13 1.903 -2.259 -0.917
95 HG12 VAL 13 HG12 VAL 13 1.909 -0.823 -1.941
96 HG13 VAL 13 HG13 VAL 13 3.399 -1.360 -1.158
97 HG21 VAL 13 HG21 VAL 13 4.246 -2.737 -4.366
98 HG22 VAL 13 HG22 VAL 13 4.895 -2.194 -2.819
99 HG23 VAL 13 HG23 VAL 13 3.961 -1.084 -3.822
100 H ASN 14 HN ASN 14 5.231 -4.773 -2.978
101 HA ASN 14 HA ASN 14 6.295 -4.374 -0.263
102 HB2 ASN 14 HB2 ASN 14 7.688 -6.402 -0.571
103 HB3 ASN 14 HB1 ASN 14 5.964 -6.763 -0.571
104 HD21 ASN 14 HD21 ASN 14 5.862 -7.923 -3.855
105 HD22 ASN 14 HD22 ASN 14 4.963 -7.386 -2.481
106 H LYS 15 HN LYS 15 6.370 -3.019 -3.058
107 HA LYS 15 HA LYS 15 9.109 -3.112 -3.854
108 HB2 LYS 15 HB1 LYS 15 6.966 -1.071 -4.476
109 HB3 LYS 15 HB2 LYS 15 8.527 -1.181 -5.279
110 HG2 LYS 15 HG1 LYS 15 7.941 -3.412 -6.101
111 HG3 LYS 15 HG2 LYS 15 6.368 -3.281 -5.313
112 HD2 LYS 15 HD1 LYS 15 6.107 -2.741 -7.639
113 HD3 LYS 15 HD2 LYS 15 5.906 -1.266 -6.692
114 HE2 LYS 15 HE2 LYS 15 7.271 -0.880 -8.688
115 HE3 LYS 15 HE1 LYS 15 8.185 -0.598 -7.207
116 HZ1 LYS 15 HZ1 LYS 15 8.303 -3.064 -8.858
117 HZ2 LYS 15 HZ2 LYS 15 9.193 -2.775 -7.449
118 HZ3 LYS 15 HZ3 LYS 15 9.473 -1.842 -8.831
119 H HIS 16 HN HIS 16 7.552 -1.675 -1.254
120 HA HIS 16 HA HIS 16 9.459 0.532 -1.045
121 HB2 HIS 16 HB2 HIS 16 7.098 -0.159 0.714
122 HB3 HIS 16 HB1 HIS 16 8.080 1.297 0.831
123 HD1 HIS 16 HD1 HIS 16 5.224 -0.172 -0.978
124 HD2 HIS 16 HD2 HIS 16 7.709 3.140 -1.335
125 HE1 HIS 16 HE1 HIS 16 4.067 1.365 -2.597
126 HE2 HIS 16 HE2 HIS 16 5.589 3.364 -2.799
127 H SER 17 HN SER 17 8.094 -1.681 1.382
128 HA SER 17 HA SER 17 9.024 -2.728 3.173
129 HB2 SER 17 HB2 SER 17 9.991 -4.135 1.421
130 HB3 SER 17 HB1 SER 17 11.350 -3.022 1.257
131 HG SER 17 HG SER 17 12.255 -3.942 2.906
132 H THR 18 HN THR 18 9.037 -0.675 4.312
133 HA THR 18 HA THR 18 11.655 -0.080 5.346
134 HB THR 18 HB THR 18 10.092 2.140 4.017
135 HG1 THR 18 HG1 THR 18 11.890 2.183 2.587
136 HG21 THR 18 HG21 THR 18 12.752 2.169 5.447
137 HG22 THR 18 HG22 THR 18 11.252 2.888 6.030
138 HG23 THR 18 HG23 THR 18 12.035 3.533 4.588
139 H SER 19 HN SER 19 10.839 -0.755 7.318
140 HA SER 19 HA SER 19 9.839 -0.556 9.351
141 HB2 SER 19 HB1 SER 19 10.863 1.686 9.292
142 HB3 SER 19 HB2 SER 19 9.424 2.309 8.484
143 HG SER 19 HG SER 19 8.493 2.455 10.353
144 H ILE 20 HN ILE 20 8.240 -0.819 6.702
145 HA ILE 20 HA ILE 20 5.585 -0.232 7.823
146 HB ILE 20 HB ILE 20 4.754 -0.451 5.485
147 HG12 ILE 20 HG11 ILE 20 6.725 -0.078 3.772
148 HG13 ILE 20 HG12 ILE 20 7.671 -0.914 4.999
149 HG21 ILE 20 HG21 ILE 20 6.909 1.614 5.903
150 HG22 ILE 20 HG22 ILE 20 5.244 1.728 6.476
151 HG23 ILE 20 HG23 ILE 20 5.583 1.720 4.745
152 HD11 ILE 20 HD11 ILE 20 6.815 -2.390 3.214
153 HD12 ILE 20 HD12 ILE 20 5.174 -2.018 3.742
154 HD13 ILE 20 HD13 ILE 20 6.282 -2.855 4.829
155 H GLY 21 HN GLY 21 3.875 -1.818 6.767
156 HA2 GLY 21 HA1 GLY 21 3.232 -4.028 6.290
157 HA3 GLY 21 HA2 GLY 21 4.869 -4.559 6.646
158 H LYS 22 HN LYS 22 5.191 -5.581 8.506
159 HA LYS 22 HA LYS 22 4.813 -6.502 10.548
160 HB2 LYS 22 HB1 LYS 22 3.451 -3.856 11.085
161 HB3 LYS 22 HB2 LYS 22 3.958 -5.011 12.309
162 HG2 LYS 22 HG1 LYS 22 5.805 -3.591 10.400
163 HG3 LYS 22 HG2 LYS 22 5.511 -3.124 12.077
164 HD2 LYS 22 HD1 LYS 22 6.373 -5.284 12.833
165 HD3 LYS 22 HD2 LYS 22 6.661 -5.759 11.157
166 HE2 LYS 22 HE2 LYS 22 8.239 -3.905 10.906
167 HE3 LYS 22 HE1 LYS 22 7.951 -3.433 12.580
168 HZ1 LYS 22 HZ1 LYS 22 8.835 -5.562 13.298
169 HZ2 LYS 22 HZ2 LYS 22 9.973 -4.732 12.363
170 HZ3 LYS 22 HZ3 LYS 22 9.108 -6.020 11.691
Start of MODEL 6
1 H1 ACE 0 HA1 ACE 0 -14.524 1.036 -1.882
2 H2 ACE 0 HA2 ACE 0 -14.495 2.713 -2.423
3 H3 ACE 0 HA3 ACE 0 -15.541 2.270 -1.077
4 H MET 1 HN MET 1 -12.115 2.013 -2.017
5 HA MET 1 HA MET 1 -11.366 2.402 0.778
6 HB2 MET 1 HB1 MET 1 -10.371 0.502 -0.437
7 HB3 MET 1 HB2 MET 1 -9.640 1.642 -1.566
8 HG2 MET 1 HG1 MET 1 -8.260 0.667 0.411
9 HG3 MET 1 HG2 MET 1 -8.072 2.361 -0.061
10 HE1 MET 1 HE1 MET 1 -11.008 0.608 1.937
11 HE2 MET 1 HE2 MET 1 -10.486 0.878 3.600
12 HE3 MET 1 HE3 MET 1 -9.549 -0.177 2.543
13 H ASP 2 HN ASP 2 -12.156 4.438 -1.509
14 HA ASP 2 HA ASP 2 -11.594 6.628 -1.953
15 HB2 ASP 2 HB2 ASP 2 -10.469 6.044 0.728
16 HB3 ASP 2 HB1 ASP 2 -9.791 7.420 -0.103
17 H TRP 3 HN TRP 3 -10.074 4.144 -2.534
18 HA TRP 3 HA TRP 3 -7.582 3.966 -2.582
19 HB2 TRP 3 HB1 TRP 3 -9.527 3.455 -4.634
20 HB3 TRP 3 HB2 TRP 3 -7.844 3.395 -5.125
21 HD1 TRP 3 HD1 TRP 3 -9.928 1.019 -4.662
22 HE1 TRP 3 HE1 TRP 3 -9.166 -1.053 -3.324
23 HE3 TRP 3 HE3 TRP 3 -6.257 3.213 -2.027
24 HZ2 TRP 3 HZ2 TRP 3 -7.204 -1.594 -1.342
25 HZ3 TRP 3 HZ3 TRP 3 -4.994 1.895 -0.410
26 HH2 TRP 3 HH2 TRP 3 -5.450 -0.455 -0.075
27 H GLY 4 HN GLY 4 -6.022 4.319 -3.464
28 HA2 GLY 4 HA2 GLY 4 -4.769 5.732 -5.172
29 HA3 GLY 4 HA1 GLY 4 -5.396 7.072 -4.197
30 H THR 5 HN THR 5 -5.354 4.665 -2.211
31 HA THR 5 HA THR 5 -2.764 5.187 -1.038
32 HB THR 5 HB THR 5 -5.467 4.573 -0.035
33 HG1 THR 5 HG1 THR 5 -3.877 5.820 1.715
34 HG21 THR 5 HG21 THR 5 -3.881 2.648 0.649
35 HG22 THR 5 HG22 THR 5 -4.864 3.421 1.894
36 HG23 THR 5 HG23 THR 5 -3.156 3.837 1.731
37 H LEU 6 HN LEU 6 -4.224 3.066 -3.015
38 HA LEU 6 HA LEU 6 -3.220 0.611 -1.941
39 HB2 LEU 6 HB1 LEU 6 -4.034 -0.412 -4.035
40 HB3 LEU 6 HB2 LEU 6 -5.241 0.448 -3.122
41 HG LEU 6 HG LEU 6 -4.033 1.350 -5.713
42 HD11 LEU 6 HD11 LEU 6 -6.877 0.809 -4.990
43 HD12 LEU 6 HD12 LEU 6 -5.814 -0.479 -5.591
44 HD13 LEU 6 HD13 LEU 6 -6.168 0.922 -6.609
45 HD21 LEU 6 HD21 LEU 6 -6.092 2.691 -4.007
46 HD22 LEU 6 HD22 LEU 6 -5.594 3.190 -5.632
47 HD23 LEU 6 HD23 LEU 6 -4.448 3.287 -4.297
48 H GLN 7 HN GLN 7 -2.685 1.571 -5.232
49 HA GLN 7 HA GLN 7 -0.407 0.656 -5.987
50 HB2 GLN 7 HB1 GLN 7 0.227 3.340 -6.334
51 HB3 GLN 7 HB2 GLN 7 -0.677 2.326 -7.456
52 HG2 GLN 7 HG1 GLN 7 -2.005 4.221 -7.116
53 HG3 GLN 7 HG2 GLN 7 -2.708 2.958 -6.098
54 HE21 GLN 7 HE21 GLN 7 -2.549 3.073 -3.923
55 HE22 GLN 7 HE22 GLN 7 -2.057 4.481 -3.076
56 H THR 8 HN THR 8 -0.625 2.884 -3.279
57 HA THR 8 HA THR 8 2.256 2.849 -2.848
58 HB THR 8 HB THR 8 1.266 5.032 -2.693
59 HG1 THR 8 HG1 THR 8 1.777 4.126 -0.039
60 HG21 THR 8 HG21 THR 8 -0.813 3.534 -1.390
61 HG22 THR 8 HG22 THR 8 -0.853 5.187 -2.030
62 HG23 THR 8 HG23 THR 8 -0.308 4.896 -0.376
63 H ILE 9 HN ILE 9 -0.717 1.960 -1.299
64 HA ILE 9 HA ILE 9 0.758 0.335 0.623
65 HB ILE 9 HB ILE 9 -1.898 1.559 1.250
66 HG12 ILE 9 HG11 ILE 9 -0.297 3.384 0.847
67 HG13 ILE 9 HG12 ILE 9 -0.742 3.289 2.546
68 HG21 ILE 9 HG21 ILE 9 -1.335 -0.350 2.604
69 HG22 ILE 9 HG22 ILE 9 -1.205 1.108 3.588
70 HG23 ILE 9 HG23 ILE 9 0.251 0.330 2.968
71 HD11 ILE 9 HD11 ILE 9 1.356 2.169 3.046
72 HD12 ILE 9 HD12 ILE 9 1.632 3.723 2.260
73 HD13 ILE 9 HD13 ILE 9 1.800 2.229 1.340
74 H LEU 10 HN LEU 10 -0.285 -0.241 -1.942
75 HA LEU 10 HA LEU 10 -2.629 -1.404 -2.374
76 HB2 LEU 10 HB2 LEU 10 -0.715 -1.332 -3.914
77 HB3 LEU 10 HB1 LEU 10 -0.035 -2.715 -3.090
78 HG LEU 10 HG LEU 10 -1.790 -4.144 -3.863
79 HD11 LEU 10 HD11 LEU 10 -3.498 -2.148 -3.670
80 HD12 LEU 10 HD12 LEU 10 -3.785 -3.483 -4.783
81 HD13 LEU 10 HD13 LEU 10 -3.128 -1.959 -5.383
82 HD21 LEU 10 HD21 LEU 10 -0.800 -2.277 -5.986
83 HD22 LEU 10 HD22 LEU 10 -1.585 -3.820 -6.327
84 HD23 LEU 10 HD23 LEU 10 -0.046 -3.781 -5.461
85 H GLY 11 HN GLY 11 -3.361 -3.581 -2.474
86 HA2 GLY 11 HA1 GLY 11 -3.777 -4.805 -0.089
87 HA3 GLY 11 HA2 GLY 11 -3.848 -5.618 -1.644
88 H GLY 12 HN GLY 12 -0.922 -5.049 -2.063
89 HA2 GLY 12 HA2 GLY 12 0.486 -6.412 0.018
90 HA3 GLY 12 HA1 GLY 12 0.140 -7.481 -1.331
91 H VAL 13 HN VAL 13 0.777 -4.054 -1.766
92 HA VAL 13 HA VAL 13 2.775 -4.499 -3.676
93 HB VAL 13 HB VAL 13 1.566 -2.417 -3.676
94 HG11 VAL 13 HG11 VAL 13 1.658 -2.504 -1.046
95 HG12 VAL 13 HG12 VAL 13 1.397 -0.993 -1.916
96 HG13 VAL 13 HG13 VAL 13 3.001 -1.392 -1.296
97 HG21 VAL 13 HG21 VAL 13 4.485 -1.960 -3.064
98 HG22 VAL 13 HG22 VAL 13 3.417 -0.835 -3.904
99 HG23 VAL 13 HG23 VAL 13 3.812 -2.391 -4.636
100 H ASN 14 HN ASN 14 4.962 -4.625 -3.597
101 HA ASN 14 HA ASN 14 6.181 -4.579 -0.916
102 HB2 ASN 14 HB1 ASN 14 6.191 -6.808 -1.940
103 HB3 ASN 14 HB2 ASN 14 7.019 -6.164 -3.353
104 HD21 ASN 14 HD21 ASN 14 9.281 -5.860 0.011
105 HD22 ASN 14 HD22 ASN 14 7.706 -5.157 -0.081
106 H LYS 15 HN LYS 15 6.686 -2.372 -0.985
107 HA LYS 15 HA LYS 15 9.006 -1.755 -2.670
108 HB2 LYS 15 HB1 LYS 15 6.618 0.056 -2.270
109 HB3 LYS 15 HB2 LYS 15 8.126 0.542 -3.031
110 HG2 LYS 15 HG2 LYS 15 6.322 -1.644 -4.044
111 HG3 LYS 15 HG1 LYS 15 6.342 0.013 -4.646
112 HD2 LYS 15 HD2 LYS 15 8.691 -0.257 -5.295
113 HD3 LYS 15 HD1 LYS 15 8.659 -1.920 -4.705
114 HE2 LYS 15 HE2 LYS 15 6.928 -2.469 -6.342
115 HE3 LYS 15 HE1 LYS 15 6.953 -0.806 -6.929
116 HZ1 LYS 15 HZ1 LYS 15 9.258 -1.114 -7.590
117 HZ2 LYS 15 HZ2 LYS 15 8.262 -2.255 -8.343
118 HZ3 LYS 15 HZ3 LYS 15 9.230 -2.711 -7.032
119 H HIS 16 HN HIS 16 7.410 -1.651 0.325
120 HA HIS 16 HA HIS 16 9.249 0.339 1.431
121 HB2 HIS 16 HB1 HIS 16 7.839 0.159 3.473
122 HB3 HIS 16 HB2 HIS 16 6.928 0.640 2.045
123 HD1 HIS 16 HD1 HIS 16 5.065 -0.897 1.266
124 HD2 HIS 16 HD2 HIS 16 7.298 -2.484 4.390
125 HE1 HIS 16 HE1 HIS 16 3.794 -2.925 2.039
126 HE2 HIS 16 HE2 HIS 16 5.163 -3.870 3.931
127 H SER 17 HN SER 17 10.575 -0.109 3.226
128 HA SER 17 HA SER 17 11.641 -2.786 3.238
129 HB2 SER 17 HB2 SER 17 13.160 -0.869 3.343
130 HB3 SER 17 HB1 SER 17 12.416 -0.344 4.854
131 HG SER 17 HG SER 17 13.717 -1.649 5.837
132 H THR 18 HN THR 18 10.378 -0.622 5.778
133 HA THR 18 HA THR 18 10.202 -2.696 7.721
134 HB THR 18 HB THR 18 8.926 -1.061 9.066
135 HG1 THR 18 HG1 THR 18 8.737 1.091 8.094
136 HG21 THR 18 HG21 THR 18 11.364 -1.002 9.119
137 HG22 THR 18 HG22 THR 18 10.703 0.627 9.255
138 HG23 THR 18 HG23 THR 18 11.382 0.075 7.723
139 H SER 19 HN SER 19 8.917 -4.387 7.221
140 HA SER 19 HA SER 19 6.503 -4.252 5.799
141 HB2 SER 19 HB2 SER 19 6.073 -6.524 6.709
142 HB3 SER 19 HB1 SER 19 7.688 -6.356 6.021
143 HG SER 19 HG SER 19 7.294 -7.344 8.271
144 H ILE 20 HN ILE 20 4.351 -4.321 6.467
145 HA ILE 20 HA ILE 20 3.787 -3.847 9.291
146 HB ILE 20 HB ILE 20 2.295 -1.956 8.704
147 HG12 ILE 20 HG12 ILE 20 3.689 -2.119 6.022
148 HG13 ILE 20 HG11 ILE 20 2.000 -2.523 6.317
149 HG21 ILE 20 HG21 ILE 20 5.237 -1.718 8.125
150 HG22 ILE 20 HG22 ILE 20 4.398 -1.407 9.646
151 HG23 ILE 20 HG23 ILE 20 4.172 -0.320 8.277
152 HD11 ILE 20 HD11 ILE 20 2.208 -0.328 5.319
153 HD12 ILE 20 HD12 ILE 20 3.246 0.195 6.645
154 HD13 ILE 20 HD13 ILE 20 1.558 -0.209 6.954
155 H GLY 21 HN GLY 21 3.301 -5.927 7.114
156 HA2 GLY 21 HA2 GLY 21 0.518 -5.945 6.547
157 HA3 GLY 21 HA1 GLY 21 1.607 -7.317 6.416
158 H LYS 22 HN LYS 22 -0.920 -5.902 8.166
159 HA LYS 22 HA LYS 22 -2.107 -6.516 10.003
160 HB2 LYS 22 HB1 LYS 22 -0.800 -9.150 9.325
161 HB3 LYS 22 HB2 LYS 22 -1.984 -8.980 10.614
162 HG2 LYS 22 HG1 LYS 22 -3.148 -9.774 8.721
163 HG3 LYS 22 HG2 LYS 22 -3.573 -8.070 8.894
164 HD2 LYS 22 HD1 LYS 22 -1.969 -7.477 7.159
165 HD3 LYS 22 HD2 LYS 22 -1.493 -9.170 7.005
166 HE2 LYS 22 HE2 LYS 22 -3.763 -9.746 6.303
167 HE3 LYS 22 HE1 LYS 22 -4.243 -8.056 6.464
168 HZ1 LYS 22 HZ1 LYS 22 -3.762 -8.625 4.169
169 HZ2 LYS 22 HZ2 LYS 22 -2.191 -9.094 4.585
170 HZ3 LYS 22 HZ3 LYS 22 -2.658 -7.475 4.738
Start of MODEL 7
1 H1 ACE 0 HA1 ACE 0 -14.943 2.726 0.408
2 H2 ACE 0 HA2 ACE 0 -14.275 1.214 -0.200
3 H3 ACE 0 HA3 ACE 0 -13.957 2.703 -1.085
4 H MET 1 HN MET 1 -11.740 2.520 -0.940
5 HA MET 1 HA MET 1 -10.607 2.758 1.758
6 HB2 MET 1 HB1 MET 1 -9.850 0.784 0.484
7 HB3 MET 1 HB2 MET 1 -9.224 1.865 -0.760
8 HG2 MET 1 HG1 MET 1 -7.649 0.881 1.068
9 HG3 MET 1 HG2 MET 1 -7.450 2.549 0.511
10 HE1 MET 1 HE1 MET 1 -6.537 2.753 4.327
11 HE2 MET 1 HE2 MET 1 -6.000 3.070 2.678
12 HE3 MET 1 HE3 MET 1 -6.197 1.409 3.236
13 H ASP 2 HN ASP 2 -11.608 4.759 -0.477
14 HA ASP 2 HA ASP 2 -11.025 6.910 -1.061
15 HB2 ASP 2 HB2 ASP 2 -9.591 6.356 1.474
16 HB3 ASP 2 HB1 ASP 2 -8.974 7.678 0.519
17 H TRP 3 HN TRP 3 -9.688 4.350 -1.748
18 HA TRP 3 HA TRP 3 -7.229 4.067 -2.103
19 HB2 TRP 3 HB1 TRP 3 -9.437 3.581 -3.875
20 HB3 TRP 3 HB2 TRP 3 -7.833 3.437 -4.573
21 HD1 TRP 3 HD1 TRP 3 -9.930 1.163 -3.771
22 HE1 TRP 3 HE1 TRP 3 -9.082 -0.900 -2.472
23 HE3 TRP 3 HE3 TRP 3 -5.873 3.277 -1.696
24 HZ2 TRP 3 HZ2 TRP 3 -6.905 -1.467 -0.737
25 HZ3 TRP 3 HZ3 TRP 3 -4.464 1.953 -0.208
26 HH2 TRP 3 HH2 TRP 3 -4.962 -0.366 0.260
27 H GLY 4 HN GLY 4 -5.781 4.333 -3.184
28 HA2 GLY 4 HA2 GLY 4 -4.702 5.646 -5.081
29 HA3 GLY 4 HA1 GLY 4 -5.152 7.035 -4.078
30 H THR 5 HN THR 5 -4.948 4.684 -2.036
31 HA THR 5 HA THR 5 -2.211 5.132 -1.215
32 HB THR 5 HB THR 5 -4.787 4.657 0.138
33 HG1 THR 5 HG1 THR 5 -3.927 6.663 0.383
34 HG21 THR 5 HG21 THR 5 -3.198 2.689 0.679
35 HG22 THR 5 HG22 THR 5 -3.989 3.533 2.013
36 HG23 THR 5 HG23 THR 5 -2.302 3.877 1.625
37 H LEU 6 HN LEU 6 -3.990 3.020 -2.925
38 HA LEU 6 HA LEU 6 -2.951 0.556 -1.906
39 HB2 LEU 6 HB1 LEU 6 -4.058 -0.490 -3.849
40 HB3 LEU 6 HB2 LEU 6 -5.109 0.443 -2.819
41 HG LEU 6 HG LEU 6 -4.207 1.224 -5.569
42 HD11 LEU 6 HD11 LEU 6 -6.953 0.820 -4.476
43 HD12 LEU 6 HD12 LEU 6 -6.025 -0.527 -5.165
44 HD13 LEU 6 HD13 LEU 6 -6.453 0.861 -6.174
45 HD21 LEU 6 HD21 LEU 6 -5.981 2.694 -3.662
46 HD22 LEU 6 HD22 LEU 6 -5.674 3.128 -5.352
47 HD23 LEU 6 HD23 LEU 6 -4.366 3.213 -4.174
48 H GLN 7 HN GLN 7 -2.797 1.402 -5.269
49 HA GLN 7 HA GLN 7 -0.670 0.377 -6.272
50 HB2 GLN 7 HB1 GLN 7 0.024 3.022 -6.774
51 HB3 GLN 7 HB2 GLN 7 -1.054 2.021 -7.745
52 HG2 GLN 7 HG1 GLN 7 -2.252 3.980 -7.299
53 HG3 GLN 7 HG2 GLN 7 -2.872 2.772 -6.164
54 HE21 GLN 7 HE21 GLN 7 -2.440 2.935 -4.032
55 HE22 GLN 7 HE22 GLN 7 -1.790 4.339 -3.293
56 H THR 8 HN THR 8 -0.455 2.683 -3.628
57 HA THR 8 HA THR 8 2.452 2.531 -3.556
58 HB THR 8 HB THR 8 1.581 4.757 -3.334
59 HG1 THR 8 HG1 THR 8 3.390 4.128 -1.965
60 HG21 THR 8 HG21 THR 8 -0.381 3.382 -1.749
61 HG22 THR 8 HG22 THR 8 -0.430 5.021 -2.422
62 HG23 THR 8 HG23 THR 8 0.301 4.739 -0.840
63 H ILE 9 HN ILE 9 -0.335 1.816 -1.615
64 HA ILE 9 HA ILE 9 1.304 0.171 0.151
65 HB ILE 9 HB ILE 9 -1.230 1.485 1.046
66 HG12 ILE 9 HG11 ILE 9 0.352 3.260 0.422
67 HG13 ILE 9 HG12 ILE 9 0.120 3.205 2.165
68 HG21 ILE 9 HG21 ILE 9 -0.561 -0.410 2.374
69 HG22 ILE 9 HG22 ILE 9 -0.285 1.065 3.300
70 HG23 ILE 9 HG23 ILE 9 1.071 0.236 2.537
71 HD11 ILE 9 HD11 ILE 9 2.468 2.066 0.667
72 HD12 ILE 9 HD12 ILE 9 2.237 2.027 2.415
73 HD13 ILE 9 HD13 ILE 9 2.448 3.571 1.587
74 H LEU 10 HN LEU 10 -0.049 -0.419 -2.267
75 HA LEU 10 HA LEU 10 -2.457 -1.519 -2.395
76 HB2 LEU 10 HB2 LEU 10 -0.726 -1.523 -4.147
77 HB3 LEU 10 HB1 LEU 10 -0.011 -2.925 -3.391
78 HG LEU 10 HG LEU 10 -1.892 -4.290 -3.943
79 HD11 LEU 10 HD11 LEU 10 -3.503 -2.261 -3.552
80 HD12 LEU 10 HD12 LEU 10 -3.954 -3.556 -4.657
81 HD13 LEU 10 HD13 LEU 10 -3.314 -2.039 -5.289
82 HD21 LEU 10 HD21 LEU 10 -1.109 -2.469 -6.189
83 HD22 LEU 10 HD22 LEU 10 -1.966 -3.994 -6.413
84 HD23 LEU 10 HD23 LEU 10 -0.334 -3.987 -5.740
85 H GLY 11 HN GLY 11 -3.241 -3.682 -2.387
86 HA2 GLY 11 HA1 GLY 11 -3.413 -4.854 0.058
87 HA3 GLY 11 HA2 GLY 11 -3.700 -5.682 -1.463
88 H GLY 12 HN GLY 12 -0.823 -5.260 -2.252
89 HA2 GLY 12 HA2 GLY 12 0.685 -6.742 -0.290
90 HA3 GLY 12 HA1 GLY 12 0.233 -7.700 -1.689
91 H VAL 13 HN VAL 13 0.908 -4.298 -2.076
92 HA VAL 13 HA VAL 13 2.995 -4.854 -3.927
93 HB VAL 13 HB VAL 13 1.500 -2.857 -4.072
94 HG11 VAL 13 HG11 VAL 13 2.287 -2.495 -1.476
95 HG12 VAL 13 HG12 VAL 13 1.407 -1.326 -2.460
96 HG13 VAL 13 HG13 VAL 13 3.166 -1.233 -2.335
97 HG21 VAL 13 HG21 VAL 13 3.215 -1.345 -4.898
98 HG22 VAL 13 HG22 VAL 13 3.581 -3.006 -5.366
99 HG23 VAL 13 HG23 VAL 13 4.455 -2.252 -4.032
100 H ASN 14 HN ASN 14 5.199 -3.928 -3.779
101 HA ASN 14 HA ASN 14 6.550 -4.880 -1.512
102 HB2 ASN 14 HB1 ASN 14 7.511 -2.944 -3.627
103 HB3 ASN 14 HB2 ASN 14 8.545 -3.795 -2.484
104 HD21 ASN 14 HD21 ASN 14 8.512 -3.867 -5.398
105 HD22 ASN 14 HD22 ASN 14 8.284 -5.523 -5.832
106 H LYS 15 HN LYS 15 4.720 -2.125 -1.810
107 HA LYS 15 HA LYS 15 4.389 -0.295 -0.510
108 HB2 LYS 15 HB1 LYS 15 6.219 -1.735 1.419
109 HB3 LYS 15 HB2 LYS 15 5.208 -0.350 1.812
110 HG2 LYS 15 HG2 LYS 15 3.210 -1.663 1.313
111 HG3 LYS 15 HG1 LYS 15 4.223 -3.052 0.916
112 HD2 LYS 15 HD2 LYS 15 5.097 -3.066 3.204
113 HD3 LYS 15 HD1 LYS 15 4.077 -1.682 3.601
114 HE2 LYS 15 HE2 LYS 15 2.083 -3.010 3.108
115 HE3 LYS 15 HE1 LYS 15 3.102 -4.393 2.712
116 HZ1 LYS 15 HZ1 LYS 15 3.919 -4.395 4.988
117 HZ2 LYS 15 HZ2 LYS 15 2.235 -4.556 4.956
118 HZ3 LYS 15 HZ3 LYS 15 2.935 -3.072 5.367
119 H HIS 16 HN HIS 16 5.262 1.389 -1.556
120 HA HIS 16 HA HIS 16 8.143 1.889 -1.228
121 HB2 HIS 16 HB2 HIS 16 6.262 2.984 -3.328
122 HB3 HIS 16 HB1 HIS 16 7.998 3.266 -3.244
123 HD1 HIS 16 HD1 HIS 16 5.515 0.495 -3.900
124 HD2 HIS 16 HD2 HIS 16 9.555 1.328 -4.410
125 HE1 HIS 16 HE1 HIS 16 6.415 -1.379 -5.314
126 HE2 HIS 16 HE2 HIS 16 8.861 -0.856 -5.612
127 H SER 17 HN SER 17 8.633 4.348 -1.401
128 HA SER 17 HA SER 17 7.285 5.601 0.808
129 HB2 SER 17 HB1 SER 17 9.716 5.816 0.550
130 HB3 SER 17 HB2 SER 17 9.488 6.641 -0.992
131 HG SER 17 HG SER 17 8.655 8.378 0.049
132 H THR 18 HN THR 18 6.675 7.971 0.623
133 HA THR 18 HA THR 18 4.898 8.265 -1.682
134 HB THR 18 HB THR 18 3.757 9.993 -0.387
135 HG1 THR 18 HG1 THR 18 4.954 10.981 1.054
136 HG21 THR 18 HG21 THR 18 3.237 7.560 -0.046
137 HG22 THR 18 HG22 THR 18 2.808 8.604 1.310
138 HG23 THR 18 HG23 THR 18 4.261 7.608 1.389
139 H SER 19 HN SER 19 7.945 9.000 -1.172
140 HA SER 19 HA SER 19 7.917 11.800 -1.927
141 HB2 SER 19 HB2 SER 19 10.223 9.879 -1.560
142 HB3 SER 19 HB1 SER 19 10.378 11.615 -1.826
143 HG SER 19 HG SER 19 10.391 11.545 0.308
144 H ILE 20 HN ILE 20 7.113 9.303 -3.601
145 HA ILE 20 HA ILE 20 8.724 9.918 -5.985
146 HB ILE 20 HB ILE 20 7.882 7.784 -6.897
147 HG12 ILE 20 HG12 ILE 20 6.658 7.456 -4.148
148 HG13 ILE 20 HG11 ILE 20 5.764 7.696 -5.646
149 HG21 ILE 20 HG21 ILE 20 9.179 7.518 -4.189
150 HG22 ILE 20 HG22 ILE 20 10.017 7.886 -5.696
151 HG23 ILE 20 HG23 ILE 20 9.225 6.325 -5.487
152 HD11 ILE 20 HD11 ILE 20 5.720 5.373 -4.985
153 HD12 ILE 20 HD12 ILE 20 7.482 5.321 -4.971
154 HD13 ILE 20 HD13 ILE 20 6.619 5.566 -6.490
155 H GLY 21 HN GLY 21 7.172 9.144 -8.012
156 HA2 GLY 21 HA2 GLY 21 4.473 9.777 -8.018
157 HA3 GLY 21 HA1 GLY 21 5.330 11.289 -8.283
158 H LYS 22 HN LYS 22 3.804 8.868 -9.832
159 HA LYS 22 HA LYS 22 5.596 8.537 -12.068
160 HB2 LYS 22 HB2 LYS 22 2.749 7.661 -11.577
161 HB3 LYS 22 HB1 LYS 22 3.599 7.348 -13.083
162 HG2 LYS 22 HG1 LYS 22 3.775 5.384 -11.798
163 HG3 LYS 22 HG2 LYS 22 5.353 6.167 -11.716
164 HD2 LYS 22 HD2 LYS 22 4.814 7.071 -9.523
165 HD3 LYS 22 HD1 LYS 22 3.205 6.348 -9.605
166 HE2 LYS 22 HE1 LYS 22 4.717 5.003 -8.237
167 HE3 LYS 22 HE2 LYS 22 4.193 4.124 -9.674
168 HZ1 LYS 22 HZ1 LYS 22 6.293 4.647 -10.729
169 HZ2 LYS 22 HZ2 LYS 22 6.562 3.850 -9.262
170 HZ3 LYS 22 HZ3 LYS 22 6.796 5.521 -9.371
Start of MODEL 8
1 H1 ACE 0 HA1 ACE 0 -14.044 1.479 -4.178
2 H2 ACE 0 HA2 ACE 0 -15.040 2.818 -3.614
3 H3 ACE 0 HA3 ACE 0 -15.383 1.192 -3.027
4 H MET 1 HN MET 1 -12.111 2.248 -3.446
5 HA MET 1 HA MET 1 -11.806 2.325 -0.527
6 HB2 MET 1 HB1 MET 1 -10.628 0.468 -1.645
7 HB3 MET 1 HB2 MET 1 -9.725 1.649 -2.593
8 HG2 MET 1 HG1 MET 1 -8.689 0.584 -0.453
9 HG3 MET 1 HG2 MET 1 -8.417 2.291 -0.831
10 HE1 MET 1 HE1 MET 1 -8.632 2.249 3.093
11 HE2 MET 1 HE2 MET 1 -7.673 2.726 1.691
12 HE3 MET 1 HE3 MET 1 -7.918 1.018 2.051
13 H ASP 2 HN ASP 2 -12.222 4.452 -2.831
14 HA ASP 2 HA ASP 2 -11.596 6.654 -3.095
15 HB2 ASP 2 HB2 ASP 2 -10.914 5.962 -0.294
16 HB3 ASP 2 HB1 ASP 2 -10.107 7.361 -0.952
17 H TRP 3 HN TRP 3 -10.003 4.183 -3.521
18 HA TRP 3 HA TRP 3 -7.535 3.991 -3.179
19 HB2 TRP 3 HB1 TRP 3 -9.128 3.571 -5.532
20 HB3 TRP 3 HB2 TRP 3 -7.387 3.520 -5.751
21 HD1 TRP 3 HD1 TRP 3 -9.519 1.140 -5.717
22 HE1 TRP 3 HE1 TRP 3 -8.980 -0.986 -4.355
23 HE3 TRP 3 HE3 TRP 3 -6.315 3.211 -2.450
24 HZ2 TRP 3 HZ2 TRP 3 -7.358 -1.613 -2.108
25 HZ3 TRP 3 HZ3 TRP 3 -5.325 1.825 -0.702
26 HH2 TRP 3 HH2 TRP 3 -5.829 -0.533 -0.535
27 H GLY 4 HN GLY 4 -5.855 4.371 -3.781
28 HA2 GLY 4 HA2 GLY 4 -4.345 5.842 -5.211
29 HA3 GLY 4 HA1 GLY 4 -5.123 7.146 -4.296
30 H THR 5 HN THR 5 -5.396 4.664 -2.425
31 HA THR 5 HA THR 5 -3.026 5.126 -0.835
32 HB THR 5 HB THR 5 -5.853 4.485 -0.300
33 HG1 THR 5 HG1 THR 5 -3.819 5.936 1.071
34 HG21 THR 5 HG21 THR 5 -4.385 2.527 0.548
35 HG22 THR 5 HG22 THR 5 -5.566 3.245 1.645
36 HG23 THR 5 HG23 THR 5 -3.858 3.668 1.785
37 H LEU 6 HN LEU 6 -4.157 3.090 -3.101
38 HA LEU 6 HA LEU 6 -3.328 0.592 -1.980
39 HB2 LEU 6 HB1 LEU 6 -3.796 -0.347 -4.215
40 HB3 LEU 6 HB2 LEU 6 -5.136 0.484 -3.474
41 HG LEU 6 HG LEU 6 -3.531 1.479 -5.802
42 HD11 LEU 6 HD11 LEU 6 -6.453 0.925 -5.563
43 HD12 LEU 6 HD12 LEU 6 -5.307 -0.345 -6.035
44 HD13 LEU 6 HD13 LEU 6 -5.495 1.096 -7.043
45 HD21 LEU 6 HD21 LEU 6 -5.836 2.764 -4.395
46 HD22 LEU 6 HD22 LEU 6 -5.086 3.323 -5.900
47 HD23 LEU 6 HD23 LEU 6 -4.168 3.361 -4.395
48 H GLN 7 HN GLN 7 -2.279 1.669 -5.106
49 HA GLN 7 HA GLN 7 0.091 0.783 -5.524
50 HB2 GLN 7 HB1 GLN 7 0.769 3.474 -5.662
51 HB3 GLN 7 HB2 GLN 7 0.051 2.509 -6.951
52 HG2 GLN 7 HG1 GLN 7 -1.314 4.398 -6.748
53 HG3 GLN 7 HG2 GLN 7 -2.167 3.099 -5.903
54 HE21 GLN 7 HE21 GLN 7 -2.354 3.128 -3.730
55 HE22 GLN 7 HE22 GLN 7 -2.001 4.497 -2.759
56 H THR 8 HN THR 8 -0.551 2.914 -2.802
57 HA THR 8 HA THR 8 2.225 2.853 -1.927
58 HB THR 8 HB THR 8 1.209 5.027 -1.831
59 HG1 THR 8 HG1 THR 8 2.458 5.044 -0.093
60 HG21 THR 8 HG21 THR 8 -1.039 3.476 -0.945
61 HG22 THR 8 HG22 THR 8 -0.987 5.161 -1.493
62 HG23 THR 8 HG23 THR 8 -0.706 4.779 0.208
63 H ILE 9 HN ILE 9 -0.946 1.902 -0.895
64 HA ILE 9 HA ILE 9 0.223 0.204 1.169
65 HB ILE 9 HB ILE 9 -2.533 1.348 1.375
66 HG12 ILE 9 HG11 ILE 9 -0.949 3.225 1.335
67 HG13 ILE 9 HG12 ILE 9 -1.653 3.032 2.935
68 HG21 ILE 9 HG21 ILE 9 -2.165 -0.606 2.729
69 HG22 ILE 9 HG22 ILE 9 -2.237 0.807 3.780
70 HG23 ILE 9 HG23 ILE 9 -0.680 0.080 3.386
71 HD11 ILE 9 HD11 ILE 9 1.082 2.106 2.093
72 HD12 ILE 9 HD12 ILE 9 0.376 1.918 3.698
73 HD13 ILE 9 HD13 ILE 9 0.716 3.530 3.067
74 H LEU 10 HN LEU 10 -0.363 -0.258 -1.569
75 HA LEU 10 HA LEU 10 -2.578 -1.454 -2.421
76 HB2 LEU 10 HB2 LEU 10 -0.436 -1.225 -3.629
77 HB3 LEU 10 HB1 LEU 10 0.135 -2.658 -2.810
78 HG LEU 10 HG LEU 10 -1.440 -4.043 -3.954
79 HD11 LEU 10 HD11 LEU 10 -3.230 -2.145 -3.867
80 HD12 LEU 10 HD12 LEU 10 -3.267 -3.328 -5.172
81 HD13 LEU 10 HD13 LEU 10 -2.585 -1.726 -5.452
82 HD21 LEU 10 HD21 LEU 10 -0.194 -2.003 -5.761
83 HD22 LEU 10 HD22 LEU 10 -0.866 -3.535 -6.322
84 HD23 LEU 10 HD23 LEU 10 0.521 -3.524 -5.231
85 H GLY 11 HN GLY 11 -3.150 -3.672 -2.785
86 HA2 GLY 11 HA1 GLY 11 -3.890 -5.054 -0.565
87 HA3 GLY 11 HA2 GLY 11 -3.659 -5.774 -2.150
88 H GLY 12 HN GLY 12 -0.741 -5.028 -2.037
89 HA2 GLY 12 HA2 GLY 12 0.438 -6.359 0.170
90 HA3 GLY 12 HA1 GLY 12 0.288 -7.467 -1.184
91 H VAL 13 HN VAL 13 0.877 -4.021 -1.580
92 HA VAL 13 HA VAL 13 3.087 -4.433 -3.255
93 HB VAL 13 HB VAL 13 1.801 -2.385 -3.396
94 HG11 VAL 13 HG11 VAL 13 1.701 -2.420 -0.763
95 HG12 VAL 13 HG12 VAL 13 1.464 -0.936 -1.684
96 HG13 VAL 13 HG13 VAL 13 3.029 -1.277 -0.941
97 HG21 VAL 13 HG21 VAL 13 4.653 -1.844 -2.571
98 HG22 VAL 13 HG22 VAL 13 3.629 -0.771 -3.527
99 HG23 VAL 13 HG23 VAL 13 4.118 -2.336 -4.178
100 H ASN 14 HN ASN 14 5.275 -4.348 -2.948
101 HA ASN 14 HA ASN 14 6.240 -4.030 -0.189
102 HB2 ASN 14 HB1 ASN 14 6.055 -6.451 -0.792
103 HB3 ASN 14 HB2 ASN 14 7.196 -6.169 -2.103
104 HD21 ASN 14 HD21 ASN 14 8.834 -5.393 1.534
105 HD22 ASN 14 HD22 ASN 14 7.397 -4.593 1.006
106 H LYS 15 HN LYS 15 6.238 -2.573 -2.945
107 HA LYS 15 HA LYS 15 8.823 -1.390 -2.605
108 HB2 LYS 15 HB2 LYS 15 9.643 -1.871 -4.891
109 HB3 LYS 15 HB1 LYS 15 9.531 -3.313 -3.891
110 HG2 LYS 15 HG2 LYS 15 7.407 -3.887 -4.975
111 HG3 LYS 15 HG1 LYS 15 7.560 -2.459 -6.001
112 HD2 LYS 15 HD2 LYS 15 9.649 -3.344 -6.922
113 HD3 LYS 15 HD1 LYS 15 9.492 -4.774 -5.898
114 HE2 LYS 15 HE2 LYS 15 7.386 -5.336 -7.018
115 HE3 LYS 15 HE1 LYS 15 7.559 -3.915 -8.048
116 HZ1 LYS 15 HZ1 LYS 15 9.428 -6.222 -7.956
117 HZ2 LYS 15 HZ2 LYS 15 9.600 -4.857 -8.940
118 HZ3 LYS 15 HZ3 LYS 15 8.299 -5.911 -9.178
119 H HIS 16 HN HIS 16 8.826 0.673 -3.302
120 HA HIS 16 HA HIS 16 7.260 1.628 -5.471
121 HB2 HIS 16 HB2 HIS 16 5.788 3.133 -4.085
122 HB3 HIS 16 HB1 HIS 16 5.383 1.422 -4.003
123 HD1 HIS 16 HD1 HIS 16 5.512 0.292 -1.741
124 HD2 HIS 16 HD2 HIS 16 6.979 4.180 -1.708
125 HE1 HIS 16 HE1 HIS 16 5.849 0.862 0.684
126 HE2 HIS 16 HE2 HIS 16 6.738 3.221 0.682
127 H SER 17 HN SER 17 7.810 3.717 -6.061
128 HA SER 17 HA SER 17 9.498 5.288 -4.282
129 HB2 SER 17 HB1 SER 17 11.259 5.553 -6.000
130 HB3 SER 17 HB2 SER 17 11.109 3.879 -5.463
131 HG SER 17 HG SER 17 10.348 3.313 -7.373
132 H THR 18 HN THR 18 8.386 7.124 -4.248
133 HA THR 18 HA THR 18 7.216 8.965 -4.898
134 HB THR 18 HB THR 18 8.080 10.200 -6.802
135 HG1 THR 18 HG1 THR 18 9.922 8.253 -7.522
136 HG21 THR 18 HG21 THR 18 9.423 10.198 -4.763
137 HG22 THR 18 HG22 THR 18 10.455 10.283 -6.190
138 HG23 THR 18 HG23 THR 18 10.281 8.761 -5.318
139 H SER 19 HN SER 19 6.267 9.961 -7.230
140 HA SER 19 HA SER 19 4.514 9.835 -8.667
141 HB2 SER 19 HB1 SER 19 6.026 8.326 -9.902
142 HB3 SER 19 HB2 SER 19 5.398 6.960 -8.980
143 HG SER 19 HG SER 19 3.684 6.931 -10.202
144 H ILE 20 HN ILE 20 4.414 8.713 -5.770
145 HA ILE 20 HA ILE 20 1.708 7.577 -6.012
146 HB ILE 20 HB ILE 20 2.156 6.352 -3.895
147 HG12 ILE 20 HG12 ILE 20 5.015 7.205 -4.406
148 HG13 ILE 20 HG11 ILE 20 4.000 7.774 -3.086
149 HG21 ILE 20 HG21 ILE 20 3.999 5.702 -6.190
150 HG22 ILE 20 HG22 ILE 20 2.307 5.224 -6.046
151 HG23 ILE 20 HG23 ILE 20 3.504 4.583 -4.921
152 HD11 ILE 20 HD11 ILE 20 4.919 4.941 -3.501
153 HD12 ILE 20 HD12 ILE 20 3.902 5.515 -2.180
154 HD13 ILE 20 HD13 ILE 20 5.563 6.088 -2.326
155 H GLY 21 HN GLY 21 2.894 10.356 -5.516
156 HA2 GLY 21 HA1 GLY 21 1.111 10.986 -3.274
157 HA3 GLY 21 HA2 GLY 21 2.782 11.521 -3.181
158 H LYS 22 HN LYS 22 0.797 13.370 -3.028
159 HA LYS 22 HA LYS 22 0.426 14.532 -5.671
160 HB2 LYS 22 HB1 LYS 22 -0.578 15.314 -2.933
161 HB3 LYS 22 HB2 LYS 22 -0.859 16.287 -4.371
162 HG2 LYS 22 HG1 LYS 22 -2.807 15.006 -4.040
163 HG3 LYS 22 HG2 LYS 22 -1.953 14.261 -5.391
164 HD2 LYS 22 HD2 LYS 22 -1.069 12.544 -3.917
165 HD3 LYS 22 HD1 LYS 22 -1.844 13.310 -2.529
166 HE2 LYS 22 HE2 LYS 22 -3.260 12.141 -4.922
167 HE3 LYS 22 HE1 LYS 22 -3.125 11.386 -3.334
168 HZ1 LYS 22 HZ1 LYS 22 -4.358 13.234 -2.387
169 HZ2 LYS 22 HZ2 LYS 22 -5.255 12.487 -3.611
170 HZ3 LYS 22 HZ3 LYS 22 -4.484 13.963 -3.909
Start of MODEL 9
1 H1 ACE 0 HA1 ACE 0 -13.446 -0.565 -0.625
2 H2 ACE 0 HA2 ACE 0 -14.385 -0.307 0.844
3 H3 ACE 0 HA3 ACE 0 -13.728 -1.910 0.521
4 H MET 1 HN MET 1 -11.879 0.929 -0.202
5 HA MET 1 HA MET 1 -10.374 0.746 2.277
6 HB2 MET 1 HB1 MET 1 -9.311 -0.877 0.755
7 HB3 MET 1 HB2 MET 1 -9.049 0.426 -0.404
8 HG2 MET 1 HG1 MET 1 -7.143 -0.330 1.201
9 HG3 MET 1 HG2 MET 1 -7.368 1.383 0.816
10 HE1 MET 1 HE1 MET 1 -5.898 2.047 2.938
11 HE2 MET 1 HE2 MET 1 -5.654 0.337 3.296
12 HE3 MET 1 HE3 MET 1 -6.193 1.436 4.566
13 H ASP 2 HN ASP 2 -11.980 2.663 0.340
14 HA ASP 2 HA ASP 2 -11.938 4.934 -0.043
15 HB2 ASP 2 HB2 ASP 2 -10.203 4.493 2.320
16 HB3 ASP 2 HB1 ASP 2 -9.978 6.003 1.477
17 H TRP 3 HN TRP 3 -10.132 2.821 -1.086
18 HA TRP 3 HA TRP 3 -7.712 3.142 -1.627
19 HB2 TRP 3 HB1 TRP 3 -9.903 2.325 -3.297
20 HB3 TRP 3 HB2 TRP 3 -8.373 2.617 -4.106
21 HD1 TRP 3 HD1 TRP 3 -9.838 -0.140 -3.423
22 HE1 TRP 3 HE1 TRP 3 -8.448 -2.063 -2.410
23 HE3 TRP 3 HE3 TRP 3 -6.185 2.647 -1.393
24 HZ2 TRP 3 HZ2 TRP 3 -6.058 -2.273 -0.887
25 HZ3 TRP 3 HZ3 TRP 3 -4.395 1.550 -0.148
26 HH2 TRP 3 HH2 TRP 3 -4.329 -0.854 0.097
27 H GLY 4 HN GLY 4 -6.461 3.828 -2.772
28 HA2 GLY 4 HA2 GLY 4 -5.871 5.520 -4.578
29 HA3 GLY 4 HA1 GLY 4 -6.532 6.674 -3.408
30 H THR 5 HN THR 5 -5.630 4.257 -1.650
31 HA THR 5 HA THR 5 -3.004 5.248 -0.959
32 HB THR 5 HB THR 5 -5.280 4.062 0.493
33 HG1 THR 5 HG1 THR 5 -4.997 6.090 1.101
34 HG21 THR 5 HG21 THR 5 -3.249 2.483 0.726
35 HG22 THR 5 HG22 THR 5 -4.084 3.006 2.190
36 HG23 THR 5 HG23 THR 5 -2.561 3.764 1.725
37 H LEU 6 HN LEU 6 -4.404 2.954 -2.774
38 HA LEU 6 HA LEU 6 -2.754 0.718 -2.092
39 HB2 LEU 6 HB1 LEU 6 -3.773 -0.392 -4.046
40 HB3 LEU 6 HB2 LEU 6 -4.909 0.185 -2.857
41 HG LEU 6 HG LEU 6 -4.450 1.384 -5.567
42 HD11 LEU 6 HD11 LEU 6 -6.932 0.266 -4.347
43 HD12 LEU 6 HD12 LEU 6 -5.789 -0.769 -5.224
44 HD13 LEU 6 HD13 LEU 6 -6.599 0.561 -6.060
45 HD21 LEU 6 HD21 LEU 6 -6.332 2.234 -3.401
46 HD22 LEU 6 HD22 LEU 6 -6.286 2.869 -5.055
47 HD23 LEU 6 HD23 LEU 6 -4.928 3.156 -3.969
48 H GLN 7 HN GLN 7 -3.118 1.978 -5.305
49 HA GLN 7 HA GLN 7 -0.893 1.495 -6.517
50 HB2 GLN 7 HB1 GLN 7 -0.887 4.228 -6.931
51 HB3 GLN 7 HB2 GLN 7 -1.816 3.052 -7.857
52 HG2 GLN 7 HG1 GLN 7 -3.302 4.761 -7.162
53 HG3 GLN 7 HG2 GLN 7 -3.625 3.338 -6.164
54 HE21 GLN 7 HE21 GLN 7 -3.049 3.334 -4.030
55 HE22 GLN 7 HE22 GLN 7 -2.630 4.755 -3.164
56 H THR 8 HN THR 8 -1.034 3.536 -3.684
57 HA THR 8 HA THR 8 1.803 4.152 -3.842
58 HB THR 8 HB THR 8 0.309 5.997 -3.235
59 HG1 THR 8 HG1 THR 8 1.735 6.743 -1.804
60 HG21 THR 8 HG21 THR 8 -0.891 4.022 -1.656
61 HG22 THR 8 HG22 THR 8 -1.343 5.730 -1.771
62 HG23 THR 8 HG23 THR 8 -0.210 5.199 -0.526
63 H ILE 9 HN ILE 9 -0.475 2.399 -1.902
64 HA ILE 9 HA ILE 9 1.724 1.237 -0.389
65 HB ILE 9 HB ILE 9 -1.162 1.306 0.436
66 HG12 ILE 9 HG11 ILE 9 -0.133 3.529 0.555
67 HG13 ILE 9 HG12 ILE 9 -0.433 2.894 2.167
68 HG21 ILE 9 HG21 ILE 9 1.279 0.327 1.906
69 HG22 ILE 9 HG22 ILE 9 -0.031 -0.667 1.268
70 HG23 ILE 9 HG23 ILE 9 -0.341 0.460 2.590
71 HD11 ILE 9 HD11 ILE 9 1.717 4.009 2.041
72 HD12 ILE 9 HD12 ILE 9 2.221 2.916 0.753
73 HD13 ILE 9 HD13 ILE 9 1.918 2.288 2.373
74 H LEU 10 HN LEU 10 -1.232 0.637 -2.000
75 HA LEU 10 HA LEU 10 -2.263 -1.146 -2.905
76 HB2 LEU 10 HB2 LEU 10 -0.368 -0.679 -4.404
77 HB3 LEU 10 HB1 LEU 10 0.530 -1.958 -3.612
78 HG LEU 10 HG LEU 10 -0.964 -3.630 -4.460
79 HD11 LEU 10 HD11 LEU 10 -2.996 -2.029 -4.187
80 HD12 LEU 10 HD12 LEU 10 -3.021 -3.247 -5.460
81 HD13 LEU 10 HD13 LEU 10 -2.635 -1.571 -5.850
82 HD21 LEU 10 HD21 LEU 10 -0.290 -1.550 -6.510
83 HD22 LEU 10 HD22 LEU 10 -0.805 -3.190 -6.907
84 HD23 LEU 10 HD23 LEU 10 0.704 -2.925 -6.030
85 H GLY 11 HN GLY 11 -2.380 -3.508 -3.160
86 HA2 GLY 11 HA1 GLY 11 -2.684 -4.775 -0.738
87 HA3 GLY 11 HA2 GLY 11 -2.568 -5.572 -2.298
88 H GLY 12 HN GLY 12 0.195 -4.403 -2.636
89 HA2 GLY 12 HA2 GLY 12 1.904 -5.273 -0.603
90 HA3 GLY 12 HA1 GLY 12 1.644 -6.630 -1.687
91 H VAL 13 HN VAL 13 1.743 -3.261 -2.723
92 HA VAL 13 HA VAL 13 3.746 -3.850 -4.659
93 HB VAL 13 HB VAL 13 1.921 -2.115 -4.907
94 HG11 VAL 13 HG11 VAL 13 2.996 -1.174 -2.584
95 HG12 VAL 13 HG12 VAL 13 1.870 -0.295 -3.620
96 HG13 VAL 13 HG13 VAL 13 3.610 -0.031 -3.779
97 HG21 VAL 13 HG21 VAL 13 3.803 -2.315 -6.476
98 HG22 VAL 13 HG22 VAL 13 4.743 -1.210 -5.472
99 HG23 VAL 13 HG23 VAL 13 3.281 -0.642 -6.277
100 H ASN 14 HN ASN 14 4.090 -3.612 -1.498
101 HA ASN 14 HA ASN 14 6.827 -2.572 -1.712
102 HB2 ASN 14 HB1 ASN 14 4.867 -1.901 0.493
103 HB3 ASN 14 HB2 ASN 14 6.576 -1.476 0.497
104 HD21 ASN 14 HD21 ASN 14 4.336 1.293 -0.775
105 HD22 ASN 14 HD22 ASN 14 4.191 0.217 0.570
106 H LYS 15 HN LYS 15 5.182 -5.214 -1.306
107 HA LYS 15 HA LYS 15 5.478 -7.215 -0.273
108 HB2 LYS 15 HB1 LYS 15 8.211 -6.075 0.336
109 HB3 LYS 15 HB2 LYS 15 7.762 -7.768 0.475
110 HG2 LYS 15 HG2 LYS 15 7.338 -7.863 -1.924
111 HG3 LYS 15 HG1 LYS 15 7.768 -6.157 -2.070
112 HD2 LYS 15 HD1 LYS 15 10.025 -6.658 -1.267
113 HD3 LYS 15 HD2 LYS 15 9.594 -8.364 -1.123
114 HE2 LYS 15 HE2 LYS 15 9.176 -8.466 -3.528
115 HE3 LYS 15 HE1 LYS 15 9.593 -6.759 -3.676
116 HZ1 LYS 15 HZ1 LYS 15 11.426 -8.912 -2.768
117 HZ2 LYS 15 HZ2 LYS 15 11.826 -7.276 -2.912
118 HZ3 LYS 15 HZ3 LYS 15 11.444 -8.177 -4.292
119 H HIS 16 HN HIS 16 3.934 -6.925 1.330
120 HA HIS 16 HA HIS 16 4.774 -5.797 3.884
121 HB2 HIS 16 HB2 HIS 16 2.115 -6.636 2.754
122 HB3 HIS 16 HB1 HIS 16 2.316 -6.304 4.471
123 HD1 HIS 16 HD1 HIS 16 3.034 -4.499 1.189
124 HD2 HIS 16 HD2 HIS 16 1.814 -3.729 5.086
125 HE1 HIS 16 HE1 HIS 16 2.551 -2.033 1.268
126 HE2 HIS 16 HE2 HIS 16 1.815 -1.587 3.635
127 H SER 17 HN SER 17 5.979 -7.198 5.021
128 HA SER 17 HA SER 17 5.092 -9.988 5.227
129 HB2 SER 17 HB2 SER 17 7.431 -9.672 4.563
130 HB3 SER 17 HB1 SER 17 7.725 -8.713 6.013
131 HG SER 17 HG SER 17 7.055 -10.651 7.197
132 H THR 18 HN THR 18 5.737 -7.096 7.088
133 HA THR 18 HA THR 18 4.403 -8.336 9.394
134 HB THR 18 HB THR 18 5.923 -7.133 10.927
135 HG1 THR 18 HG1 THR 18 6.721 -5.970 8.642
136 HG21 THR 18 HG21 THR 18 7.310 -8.990 8.992
137 HG22 THR 18 HG22 THR 18 6.382 -9.467 10.413
138 HG23 THR 18 HG23 THR 18 7.892 -8.577 10.604
139 H SER 19 HN SER 19 3.297 -6.858 10.784
140 HA SER 19 HA SER 19 1.819 -4.904 9.509
141 HB2 SER 19 HB2 SER 19 1.277 -4.065 11.807
142 HB3 SER 19 HB1 SER 19 1.036 -5.800 11.594
143 HG SER 19 HG SER 19 2.152 -5.626 13.461
144 H ILE 20 HN ILE 20 2.112 -2.830 8.995
145 HA ILE 20 HA ILE 20 4.218 -1.284 10.279
146 HB ILE 20 HB ILE 20 5.040 -0.551 8.006
147 HG12 ILE 20 HG11 ILE 20 4.699 -2.569 6.323
148 HG13 ILE 20 HG12 ILE 20 3.210 -2.784 7.241
149 HG21 ILE 20 HG21 ILE 20 5.458 -3.382 8.944
150 HG22 ILE 20 HG22 ILE 20 6.414 -1.956 9.359
151 HG23 ILE 20 HG23 ILE 20 6.457 -2.599 7.717
152 HD11 ILE 20 HD11 ILE 20 2.936 -1.435 5.193
153 HD12 ILE 20 HD12 ILE 20 4.014 -0.223 5.886
154 HD13 ILE 20 HD13 ILE 20 2.473 -0.580 6.665
155 H GLY 21 HN GLY 21 4.232 1.017 9.239
156 HA2 GLY 21 HA2 GLY 21 1.866 1.976 8.005
157 HA3 GLY 21 HA1 GLY 21 1.781 2.227 9.742
158 H LYS 22 HN LYS 22 1.900 4.433 9.740
159 HA LYS 22 HA LYS 22 4.511 5.570 9.441
160 HB2 LYS 22 HB2 LYS 22 3.688 7.367 7.832
161 HB3 LYS 22 HB1 LYS 22 4.008 5.779 7.149
162 HG2 LYS 22 HG1 LYS 22 1.577 5.287 7.299
163 HG3 LYS 22 HG2 LYS 22 1.320 6.953 7.819
164 HD2 LYS 22 HD1 LYS 22 2.316 7.753 5.724
165 HD3 LYS 22 HD2 LYS 22 2.543 6.081 5.203
166 HE2 LYS 22 HE1 LYS 22 0.120 5.728 5.301
167 HE3 LYS 22 HE2 LYS 22 -0.100 7.403 5.805
168 HZ1 LYS 22 HZ1 LYS 22 0.845 8.126 3.703
169 HZ2 LYS 22 HZ2 LYS 22 -0.498 7.130 3.439
170 HZ3 LYS 22 HZ3 LYS 22 1.065 6.519 3.220
Start of MODEL 10
1 H1 ACE 0 HA1 ACE 0 -13.779 -0.354 1.146
2 H2 ACE 0 HA2 ACE 0 -13.969 1.193 0.323
3 H3 ACE 0 HA3 ACE 0 -14.689 0.979 1.917
4 H MET 1 HN MET 1 -11.536 0.769 0.282
5 HA MET 1 HA MET 1 -10.191 1.466 2.758
6 HB2 MET 1 HB1 MET 1 -9.271 -0.321 1.328
7 HB3 MET 1 HB2 MET 1 -9.022 0.869 0.051
8 HG2 MET 1 HG1 MET 1 -7.061 0.172 1.609
9 HG3 MET 1 HG2 MET 1 -7.248 1.858 1.106
10 HE1 MET 1 HE1 MET 1 -9.288 -0.226 3.786
11 HE2 MET 1 HE2 MET 1 -8.411 0.181 5.261
12 HE3 MET 1 HE3 MET 1 -7.623 -0.766 4.000
13 H ASP 2 HN ASP 2 -11.821 3.283 0.746
14 HA ASP 2 HA ASP 2 -11.713 5.511 0.171
15 HB2 ASP 2 HB2 ASP 2 -9.877 5.194 2.478
16 HB3 ASP 2 HB1 ASP 2 -9.636 6.618 1.499
17 H TRP 3 HN TRP 3 -10.045 3.245 -0.776
18 HA TRP 3 HA TRP 3 -7.646 3.416 -1.457
19 HB2 TRP 3 HB1 TRP 3 -9.950 2.558 -2.943
20 HB3 TRP 3 HB2 TRP 3 -8.455 2.718 -3.849
21 HD1 TRP 3 HD1 TRP 3 -9.985 0.090 -2.865
22 HE1 TRP 3 HE1 TRP 3 -8.616 -1.801 -1.765
23 HE3 TRP 3 HE3 TRP 3 -6.129 2.879 -1.259
24 HZ2 TRP 3 HZ2 TRP 3 -6.159 -1.984 -0.350
25 HZ3 TRP 3 HZ3 TRP 3 -4.319 1.815 -0.016
26 HH2 TRP 3 HH2 TRP 3 -4.327 -0.561 0.426
27 H GLY 4 HN GLY 4 -6.429 3.952 -2.713
28 HA2 GLY 4 HA2 GLY 4 -5.868 5.461 -4.685
29 HA3 GLY 4 HA1 GLY 4 -6.418 6.735 -3.583
30 H THR 5 HN THR 5 -5.526 4.440 -1.669
31 HA THR 5 HA THR 5 -2.828 5.365 -1.196
32 HB THR 5 HB THR 5 -5.071 4.412 0.462
33 HG1 THR 5 HG1 THR 5 -2.905 6.139 1.114
34 HG21 THR 5 HG21 THR 5 -3.097 2.761 0.721
35 HG22 THR 5 HG22 THR 5 -3.840 3.431 2.174
36 HG23 THR 5 HG23 THR 5 -2.309 4.082 1.584
37 H LEU 6 HN LEU 6 -4.416 2.982 -2.731
38 HA LEU 6 HA LEU 6 -2.824 0.739 -1.946
39 HB2 LEU 6 HB1 LEU 6 -3.977 -0.469 -3.766
40 HB3 LEU 6 HB2 LEU 6 -5.030 0.243 -2.575
41 HG LEU 6 HG LEU 6 -4.660 1.210 -5.388
42 HD11 LEU 6 HD11 LEU 6 -7.119 0.299 -3.964
43 HD12 LEU 6 HD12 LEU 6 -6.065 -0.847 -4.815
44 HD13 LEU 6 HD13 LEU 6 -6.865 0.451 -5.711
45 HD21 LEU 6 HD21 LEU 6 -6.394 2.310 -3.214
46 HD22 LEU 6 HD22 LEU 6 -6.403 2.811 -4.913
47 HD23 LEU 6 HD23 LEU 6 -4.983 3.121 -3.916
48 H GLN 7 HN GLN 7 -3.278 1.628 -5.267
49 HA GLN 7 HA GLN 7 -1.156 1.019 -6.574
50 HB2 GLN 7 HB1 GLN 7 -1.031 3.750 -7.077
51 HB3 GLN 7 HB2 GLN 7 -2.029 2.574 -7.930
52 HG2 GLN 7 HG1 GLN 7 -3.492 4.275 -7.267
53 HG3 GLN 7 HG2 GLN 7 -3.722 2.966 -6.099
54 HE21 GLN 7 HE21 GLN 7 -3.043 3.190 -4.038
55 HE22 GLN 7 HE22 GLN 7 -2.564 4.685 -3.347
56 H THR 8 HN THR 8 -1.008 3.305 -3.909
57 HA THR 8 HA THR 8 1.860 3.695 -4.228
58 HB THR 8 HB THR 8 0.637 5.720 -3.821
59 HG1 THR 8 HG1 THR 8 1.645 5.473 -1.274
60 HG21 THR 8 HG21 THR 8 -0.812 3.992 -2.040
61 HG22 THR 8 HG22 THR 8 -1.250 5.599 -2.648
62 HG23 THR 8 HG23 THR 8 -0.275 5.447 -1.184
63 H ILE 9 HN ILE 9 -0.457 2.465 -1.955
64 HA ILE 9 HA ILE 9 1.684 1.142 -0.479
65 HB ILE 9 HB ILE 9 -0.899 1.950 0.794
66 HG12 ILE 9 HG11 ILE 9 0.212 3.997 0.014
67 HG13 ILE 9 HG12 ILE 9 0.247 3.890 1.770
68 HG21 ILE 9 HG21 ILE 9 0.293 0.213 1.959
69 HG22 ILE 9 HG22 ILE 9 0.417 1.710 2.883
70 HG23 ILE 9 HG23 ILE 9 1.783 1.156 1.915
71 HD11 ILE 9 HD11 ILE 9 2.529 3.227 -0.074
72 HD12 ILE 9 HD12 ILE 9 2.561 3.142 1.687
73 HD13 ILE 9 HD13 ILE 9 2.358 4.698 0.881
74 H LEU 10 HN LEU 10 0.137 0.326 -2.709
75 HA LEU 10 HA LEU 10 -2.023 -1.202 -2.540
76 HB2 LEU 10 HB2 LEU 10 -0.593 -0.875 -4.515
77 HB3 LEU 10 HB1 LEU 10 0.472 -2.121 -3.910
78 HG LEU 10 HG LEU 10 -1.183 -3.812 -4.234
79 HD11 LEU 10 HD11 LEU 10 -3.068 -2.109 -3.567
80 HD12 LEU 10 HD12 LEU 10 -3.426 -3.478 -4.616
81 HD13 LEU 10 HD13 LEU 10 -3.179 -1.876 -5.310
82 HD21 LEU 10 HD21 LEU 10 -1.071 -1.868 -6.510
83 HD22 LEU 10 HD22 LEU 10 -1.669 -3.522 -6.661
84 HD23 LEU 10 HD23 LEU 10 0.016 -3.226 -6.220
85 H GLY 11 HN GLY 11 -2.409 -3.456 -2.474
86 HA2 GLY 11 HA1 GLY 11 -1.936 -4.649 -0.060
87 HA3 GLY 11 HA2 GLY 11 -2.406 -5.491 -1.527
88 H GLY 12 HN GLY 12 0.175 -4.593 -2.830
89 HA2 GLY 12 HA2 GLY 12 2.210 -5.948 -1.283
90 HA3 GLY 12 HA1 GLY 12 1.657 -6.848 -2.684
91 H VAL 13 HN VAL 13 1.816 -3.351 -2.774
92 HA VAL 13 HA VAL 13 3.682 -3.488 -4.950
93 HB VAL 13 HB VAL 13 1.814 -1.814 -4.826
94 HG11 VAL 13 HG11 VAL 13 2.828 -1.331 -2.357
95 HG12 VAL 13 HG12 VAL 13 1.697 -0.279 -3.208
96 HG13 VAL 13 HG13 VAL 13 3.432 0.051 -3.268
97 HG21 VAL 13 HG21 VAL 13 4.565 -0.633 -5.185
98 HG22 VAL 13 HG22 VAL 13 3.059 -0.034 -5.879
99 HG23 VAL 13 HG23 VAL 13 3.709 -1.590 -6.393
100 H ASN 14 HN ASN 14 4.251 -3.983 -1.907
101 HA ASN 14 HA ASN 14 7.002 -3.316 -2.030
102 HB2 ASN 14 HB1 ASN 14 6.123 -1.066 -1.517
103 HB3 ASN 14 HB2 ASN 14 5.340 -1.710 -0.077
104 HD21 ASN 14 HD21 ASN 14 8.229 -1.786 1.872
105 HD22 ASN 14 HD22 ASN 14 6.595 -2.313 1.690
106 H LYS 15 HN LYS 15 4.250 -4.641 -0.529
107 HA LYS 15 HA LYS 15 3.930 -6.265 1.024
108 HB2 LYS 15 HB1 LYS 15 6.859 -6.824 0.529
109 HB3 LYS 15 HB2 LYS 15 5.741 -7.904 1.351
110 HG2 LYS 15 HG2 LYS 15 4.418 -8.087 -0.701
111 HG3 LYS 15 HG1 LYS 15 5.557 -7.019 -1.523
112 HD2 LYS 15 HD2 LYS 15 6.290 -9.662 -0.264
113 HD3 LYS 15 HD1 LYS 15 5.946 -9.432 -1.980
114 HE2 LYS 15 HE1 LYS 15 7.801 -7.837 -2.131
115 HE3 LYS 15 HE2 LYS 15 8.150 -8.088 -0.422
116 HZ1 LYS 15 HZ1 LYS 15 9.610 -9.402 -1.820
117 HZ2 LYS 15 HZ2 LYS 15 8.283 -10.169 -2.537
118 HZ3 LYS 15 HZ3 LYS 15 8.615 -10.412 -0.896
119 H HIS 16 HN HIS 16 3.457 -5.134 2.843
120 HA HIS 16 HA HIS 16 5.691 -4.325 4.575
121 HB2 HIS 16 HB2 HIS 16 2.790 -3.473 4.675
122 HB3 HIS 16 HB1 HIS 16 4.078 -2.868 5.712
123 HD1 HIS 16 HD1 HIS 16 2.391 -2.224 2.559
124 HD2 HIS 16 HD2 HIS 16 6.108 -1.373 4.213
125 HE1 HIS 16 HE1 HIS 16 3.343 -0.367 1.155
126 HE2 HIS 16 HE2 HIS 16 5.592 0.133 2.175
127 H SER 17 HN SER 17 5.117 -4.462 6.983
128 HA SER 17 HA SER 17 4.418 -7.210 7.543
129 HB2 SER 17 HB2 SER 17 5.283 -4.972 9.392
130 HB3 SER 17 HB1 SER 17 5.095 -6.663 9.859
131 HG SER 17 HG SER 17 6.722 -7.171 8.318
132 H THR 18 HN THR 18 2.583 -4.628 6.980
133 HA THR 18 HA THR 18 0.799 -4.558 9.187
134 HB THR 18 HB THR 18 -0.722 -3.345 7.699
135 HG1 THR 18 HG1 THR 18 -0.597 -4.048 5.685
136 HG21 THR 18 HG21 THR 18 1.118 -2.115 8.733
137 HG22 THR 18 HG22 THR 18 0.758 -1.470 7.132
138 HG23 THR 18 HG23 THR 18 2.162 -2.511 7.368
139 H SER 19 HN SER 19 -1.087 -5.614 9.567
140 HA SER 19 HA SER 19 -1.508 -8.091 8.116
141 HB2 SER 19 HB1 SER 19 -1.538 -8.093 10.582
142 HB3 SER 19 HB2 SER 19 -2.906 -6.980 10.554
143 HG SER 19 HG SER 19 -4.191 -8.597 10.167
144 H ILE 20 HN ILE 20 -2.265 -5.203 7.285
145 HA ILE 20 HA ILE 20 -5.106 -5.673 6.715
146 HB ILE 20 HB ILE 20 -5.159 -3.258 6.084
147 HG12 ILE 20 HG11 ILE 20 -3.169 -1.949 7.155
148 HG13 ILE 20 HG12 ILE 20 -2.289 -3.458 6.952
149 HG21 ILE 20 HG21 ILE 20 -4.207 -3.896 8.872
150 HG22 ILE 20 HG22 ILE 20 -5.867 -4.018 8.285
151 HG23 ILE 20 HG23 ILE 20 -5.084 -2.441 8.394
152 HD11 ILE 20 HD11 ILE 20 -1.912 -1.875 5.118
153 HD12 ILE 20 HD12 ILE 20 -3.632 -1.936 4.733
154 HD13 ILE 20 HD13 ILE 20 -2.640 -3.383 4.567
155 H GLY 21 HN GLY 21 -5.782 -4.587 4.537
156 HA2 GLY 21 HA1 GLY 21 -5.482 -4.347 2.235
157 HA3 GLY 21 HA2 GLY 21 -3.819 -4.884 2.420
158 H LYS 22 HN LYS 22 -3.335 -7.080 2.344
159 HA LYS 22 HA LYS 22 -5.499 -8.750 1.255
160 HB2 LYS 22 HB1 LYS 22 -2.505 -8.998 0.904
161 HB3 LYS 22 HB2 LYS 22 -3.697 -10.091 0.217
162 HG2 LYS 22 HG1 LYS 22 -3.506 -7.148 -0.396
163 HG3 LYS 22 HG2 LYS 22 -2.845 -8.441 -1.400
164 HD2 LYS 22 HD1 LYS 22 -5.084 -9.359 -1.713
165 HD3 LYS 22 HD2 LYS 22 -5.756 -8.092 -0.683
166 HE2 LYS 22 HE1 LYS 22 -4.311 -7.663 -3.295
167 HE3 LYS 22 HE2 LYS 22 -6.057 -7.584 -3.059
168 HZ1 LYS 22 HZ1 LYS 22 -4.055 -5.804 -1.776
169 HZ2 LYS 22 HZ2 LYS 22 -5.728 -5.730 -1.542
170 HZ3 LYS 22 HZ3 LYS 22 -5.072 -5.384 -3.062
Start of MODEL 11
1 H1 ACE 0 HA1 ACE 0 -14.337 1.173 1.342
2 H2 ACE 0 HA2 ACE 0 -13.733 1.942 -0.124
3 H3 ACE 0 HA3 ACE 0 -14.568 2.927 1.076
4 H MET 1 HN MET 1 -11.621 2.237 -0.118
5 HA MET 1 HA MET 1 -10.252 2.577 2.451
6 HB2 MET 1 HB1 MET 1 -9.570 0.626 1.103
7 HB3 MET 1 HB2 MET 1 -9.092 1.724 -0.190
8 HG2 MET 1 HG1 MET 1 -7.326 0.778 1.474
9 HG3 MET 1 HG2 MET 1 -7.224 2.451 0.909
10 HE1 MET 1 HE1 MET 1 -5.961 2.643 4.631
11 HE2 MET 1 HE2 MET 1 -5.588 3.012 2.947
12 HE3 MET 1 HE3 MET 1 -5.689 1.335 3.480
13 H ASP 2 HN ASP 2 -11.515 4.551 0.327
14 HA ASP 2 HA ASP 2 -11.048 6.716 -0.306
15 HB2 ASP 2 HB2 ASP 2 -9.367 6.204 2.081
16 HB3 ASP 2 HB1 ASP 2 -8.876 7.540 1.073
17 H TRP 3 HN TRP 3 -9.714 4.193 -1.122
18 HA TRP 3 HA TRP 3 -7.293 3.977 -1.711
19 HB2 TRP 3 HB1 TRP 3 -9.647 3.429 -3.265
20 HB3 TRP 3 HB2 TRP 3 -8.114 3.328 -4.113
21 HD1 TRP 3 HD1 TRP 3 -10.062 0.998 -3.118
22 HE1 TRP 3 HE1 TRP 3 -9.037 -1.039 -1.910
23 HE3 TRP 3 HE3 TRP 3 -5.884 3.224 -1.439
24 HZ2 TRP 3 HZ2 TRP 3 -6.688 -1.545 -0.393
25 HZ3 TRP 3 HZ3 TRP 3 -4.302 1.940 -0.095
26 HH2 TRP 3 HH2 TRP 3 -4.688 -0.390 0.414
27 H GLY 4 HN GLY 4 -5.965 4.279 -2.931
28 HA2 GLY 4 HA2 GLY 4 -5.107 5.619 -4.917
29 HA3 GLY 4 HA1 GLY 4 -5.500 6.999 -3.876
30 H THR 5 HN THR 5 -5.034 4.651 -1.870
31 HA THR 5 HA THR 5 -2.248 5.181 -1.308
32 HB THR 5 HB THR 5 -4.670 4.635 0.281
33 HG1 THR 5 HG1 THR 5 -3.194 5.991 1.743
34 HG21 THR 5 HG21 THR 5 -2.984 2.714 0.671
35 HG22 THR 5 HG22 THR 5 -3.667 3.540 2.073
36 HG23 THR 5 HG23 THR 5 -2.034 3.928 1.527
37 H LEU 6 HN LEU 6 -4.116 3.020 -2.846
38 HA LEU 6 HA LEU 6 -2.911 0.585 -1.939
39 HB2 LEU 6 HB1 LEU 6 -4.179 -0.496 -3.761
40 HB3 LEU 6 HB2 LEU 6 -5.149 0.411 -2.632
41 HG LEU 6 HG LEU 6 -4.542 1.212 -5.457
42 HD11 LEU 6 HD11 LEU 6 -7.158 0.734 -4.105
43 HD12 LEU 6 HD12 LEU 6 -6.262 -0.589 -4.876
44 HD13 LEU 6 HD13 LEU 6 -6.822 0.780 -5.844
45 HD21 LEU 6 HD21 LEU 6 -6.163 2.634 -3.386
46 HD22 LEU 6 HD22 LEU 6 -6.033 3.074 -5.097
47 HD23 LEU 6 HD23 LEU 6 -4.620 3.198 -4.051
48 H GLN 7 HN GLN 7 -3.120 1.462 -5.293
49 HA GLN 7 HA GLN 7 -1.074 0.483 -6.508
50 HB2 GLN 7 HB1 GLN 7 -0.523 3.147 -7.078
51 HB3 GLN 7 HB2 GLN 7 -1.659 2.108 -7.936
52 HG2 GLN 7 HG1 GLN 7 -2.867 4.031 -7.370
53 HG3 GLN 7 HG2 GLN 7 -3.333 2.806 -6.183
54 HE21 GLN 7 HE21 GLN 7 -2.690 2.980 -4.102
55 HE22 GLN 7 HE22 GLN 7 -2.017 4.408 -3.429
56 H THR 8 HN THR 8 -0.679 2.776 -3.881
57 HA THR 8 HA THR 8 2.226 2.725 -4.103
58 HB THR 8 HB THR 8 1.303 4.925 -3.818
59 HG1 THR 8 HG1 THR 8 2.473 4.004 -1.381
60 HG21 THR 8 HG21 THR 8 -0.436 3.506 -2.026
61 HG22 THR 8 HG22 THR 8 -0.608 5.137 -2.697
62 HG23 THR 8 HG23 THR 8 0.294 4.891 -1.200
63 H ILE 9 HN ILE 9 -0.337 1.935 -1.897
64 HA ILE 9 HA ILE 9 1.523 0.355 -0.298
65 HB ILE 9 HB ILE 9 -0.899 1.658 0.878
66 HG12 ILE 9 HG11 ILE 9 0.594 3.429 0.034
67 HG13 ILE 9 HG12 ILE 9 0.539 3.413 1.792
68 HG21 ILE 9 HG21 ILE 9 1.579 0.458 2.105
69 HG22 ILE 9 HG22 ILE 9 -0.050 -0.216 2.137
70 HG23 ILE 9 HG23 ILE 9 0.304 1.275 3.008
71 HD11 ILE 9 HD11 ILE 9 2.734 2.246 0.101
72 HD12 ILE 9 HD12 ILE 9 2.682 2.271 1.863
73 HD13 ILE 9 HD13 ILE 9 2.795 3.783 0.961
74 H LEU 10 HN LEU 10 -0.102 -0.294 -2.522
75 HA LEU 10 HA LEU 10 -2.486 -1.418 -2.359
76 HB2 LEU 10 HB2 LEU 10 -1.022 -1.483 -4.298
77 HB3 LEU 10 HB1 LEU 10 -0.123 -2.794 -3.576
78 HG LEU 10 HG LEU 10 -1.975 -4.294 -3.801
79 HD11 LEU 10 HD11 LEU 10 -3.596 -2.157 -3.443
80 HD12 LEU 10 HD12 LEU 10 -4.139 -3.710 -4.074
81 HD13 LEU 10 HD13 LEU 10 -3.751 -2.393 -5.182
82 HD21 LEU 10 HD21 LEU 10 -1.569 -2.576 -6.223
83 HD22 LEU 10 HD22 LEU 10 -2.375 -4.146 -6.259
84 HD23 LEU 10 HD23 LEU 10 -0.676 -4.034 -5.794
85 H GLY 11 HN GLY 11 -3.362 -3.436 -2.042
86 HA2 GLY 11 HA1 GLY 11 -2.981 -4.561 0.452
87 HA3 GLY 11 HA2 GLY 11 -3.855 -5.282 -0.888
88 H GLY 12 HN GLY 12 -1.253 -5.182 -2.478
89 HA2 GLY 12 HA1 GLY 12 0.022 -7.504 -1.168
90 HA3 GLY 12 HA2 GLY 12 -0.330 -7.482 -2.887
91 H VAL 13 HN VAL 13 0.475 -4.555 -2.948
92 HA VAL 13 HA VAL 13 3.062 -4.879 -3.884
93 HB VAL 13 HB VAL 13 1.439 -2.886 -4.192
94 HG11 VAL 13 HG11 VAL 13 1.857 -2.574 -1.559
95 HG12 VAL 13 HG12 VAL 13 1.343 -1.275 -2.635
96 HG13 VAL 13 HG13 VAL 13 3.047 -1.444 -2.202
97 HG21 VAL 13 HG21 VAL 13 3.597 -3.074 -5.313
98 HG22 VAL 13 HG22 VAL 13 4.411 -2.449 -3.878
99 HG23 VAL 13 HG23 VAL 13 3.310 -1.415 -4.789
100 H ASN 14 HN ASN 14 5.106 -4.189 -3.078
101 HA ASN 14 HA ASN 14 5.292 -3.899 -0.169
102 HB2 ASN 14 HB2 ASN 14 7.166 -5.519 -0.100
103 HB3 ASN 14 HB1 ASN 14 5.645 -6.269 -0.576
104 HD21 ASN 14 HD21 ASN 14 8.556 -7.285 -2.754
105 HD22 ASN 14 HD22 ASN 14 8.389 -7.130 -1.042
106 H LYS 15 HN LYS 15 6.203 -1.970 0.067
107 HA LYS 15 HA LYS 15 8.841 -1.470 -0.881
108 HB2 LYS 15 HB2 LYS 15 8.244 0.600 -2.177
109 HB3 LYS 15 HB1 LYS 15 7.805 -0.912 -2.956
110 HG2 LYS 15 HG2 LYS 15 5.496 -0.629 -2.246
111 HG3 LYS 15 HG1 LYS 15 5.925 0.870 -1.418
112 HD2 LYS 15 HD2 LYS 15 6.263 0.394 -4.377
113 HD3 LYS 15 HD1 LYS 15 4.887 1.224 -3.648
114 HE2 LYS 15 HE2 LYS 15 6.402 2.908 -2.717
115 HE3 LYS 15 HE1 LYS 15 7.772 2.081 -3.457
116 HZ1 LYS 15 HZ1 LYS 15 6.810 2.511 -5.632
117 HZ2 LYS 15 HZ2 LYS 15 7.055 3.957 -4.790
118 HZ3 LYS 15 HZ3 LYS 15 5.499 3.309 -4.920
119 H HIS 16 HN HIS 16 6.287 -0.978 1.162
120 HA HIS 16 HA HIS 16 7.270 1.569 2.210
121 HB2 HIS 16 HB1 HIS 16 5.264 1.501 3.655
122 HB3 HIS 16 HB2 HIS 16 4.857 1.377 1.947
123 HD1 HIS 16 HD1 HIS 16 3.884 -0.869 1.117
124 HD2 HIS 16 HD2 HIS 16 4.683 -0.763 5.194
125 HE1 HIS 16 HE1 HIS 16 2.728 -2.884 2.081
126 HE2 HIS 16 HE2 HIS 16 3.226 -2.802 4.550
127 H SER 17 HN SER 17 6.962 -1.824 3.066
128 HA SER 17 HA SER 17 9.109 -1.688 4.918
129 HB2 SER 17 HB2 SER 17 7.407 -0.673 6.360
130 HB3 SER 17 HB1 SER 17 6.338 -2.049 6.089
131 HG SER 17 HG SER 17 8.728 -1.912 7.564
132 H THR 18 HN THR 18 9.828 -3.734 5.553
133 HA THR 18 HA THR 18 8.646 -5.930 4.023
134 HB THR 18 HB THR 18 11.303 -5.827 5.467
135 HG1 THR 18 HG1 THR 18 11.890 -4.737 3.756
136 HG21 THR 18 HG21 THR 18 10.193 -7.823 3.490
137 HG22 THR 18 HG22 THR 18 10.459 -8.104 5.210
138 HG23 THR 18 HG23 THR 18 11.832 -7.827 4.139
139 H SER 19 HN SER 19 6.917 -6.554 5.287
140 HA SER 19 HA SER 19 7.562 -8.225 7.536
141 HB2 SER 19 HB2 SER 19 5.786 -5.808 7.931
142 HB3 SER 19 HB1 SER 19 6.008 -7.103 9.106
143 HG SER 19 HG SER 19 8.289 -6.542 9.048
144 H ILE 20 HN ILE 20 6.101 -7.885 4.808
145 HA ILE 20 HA ILE 20 3.622 -9.278 5.576
146 HB ILE 20 HB ILE 20 2.732 -8.599 3.378
147 HG12 ILE 20 HG12 ILE 20 5.310 -7.025 3.176
148 HG13 ILE 20 HG11 ILE 20 4.866 -8.407 2.180
149 HG21 ILE 20 HG21 ILE 20 3.748 -6.293 5.034
150 HG22 ILE 20 HG22 ILE 20 2.304 -7.245 5.377
151 HG23 ILE 20 HG23 ILE 20 2.381 -6.252 3.922
152 HD11 ILE 20 HD11 ILE 20 3.489 -5.733 2.232
153 HD12 ILE 20 HD12 ILE 20 2.982 -7.124 1.273
154 HD13 ILE 20 HD13 ILE 20 4.538 -6.357 0.960
155 H GLY 21 HN GLY 21 2.884 -10.486 3.307
156 HA2 GLY 21 HA1 GLY 21 3.363 -12.157 1.769
157 HA3 GLY 21 HA2 GLY 21 5.075 -11.908 2.079
158 H LYS 22 HN LYS 22 6.113 -13.453 3.154
159 HA LYS 22 HA LYS 22 4.494 -15.452 4.578
160 HB2 LYS 22 HB2 LYS 22 6.542 -16.923 4.276
161 HB3 LYS 22 HB1 LYS 22 5.644 -16.529 2.818
162 HG2 LYS 22 HG2 LYS 22 7.997 -14.870 3.604
163 HG3 LYS 22 HG1 LYS 22 8.235 -16.429 2.813
164 HD2 LYS 22 HD2 LYS 22 6.808 -15.689 0.955
165 HD3 LYS 22 HD1 LYS 22 6.613 -14.121 1.741
166 HE2 LYS 22 HE1 LYS 22 8.312 -14.014 0.000
167 HE3 LYS 22 HE2 LYS 22 9.023 -13.742 1.591
168 HZ1 LYS 22 HZ1 LYS 22 9.784 -16.030 1.610
169 HZ2 LYS 22 HZ2 LYS 22 10.378 -15.225 0.246
170 HZ3 LYS 22 HZ3 LYS 22 9.086 -16.307 0.093
Start of MODEL 12
1 H1 ACE 0 HA1 ACE 0 -15.549 1.143 -2.726
2 H2 ACE 0 HA2 ACE 0 -14.226 0.450 -3.662
3 H3 ACE 0 HA3 ACE 0 -14.581 2.167 -3.829
4 H MET 1 HN MET 1 -12.048 1.207 -3.181
5 HA MET 1 HA MET 1 -11.709 1.573 -0.324
6 HB2 MET 1 HB1 MET 1 -10.410 -0.157 -1.504
7 HB3 MET 1 HB2 MET 1 -9.634 1.110 -2.453
8 HG2 MET 1 HG1 MET 1 -8.447 0.104 -0.370
9 HG3 MET 1 HG2 MET 1 -8.341 1.836 -0.711
10 HE1 MET 1 HE1 MET 1 -9.930 -0.981 1.504
11 HE2 MET 1 HE2 MET 1 -11.363 -0.260 0.772
12 HE3 MET 1 HE3 MET 1 -11.070 -0.079 2.501
13 H ASP 2 HN ASP 2 -12.358 3.704 -2.567
14 HA ASP 2 HA ASP 2 -11.924 5.955 -2.795
15 HB2 ASP 2 HB2 ASP 2 -11.112 5.265 -0.029
16 HB3 ASP 2 HB1 ASP 2 -10.447 6.741 -0.675
17 H TRP 3 HN TRP 3 -10.145 3.636 -3.319
18 HA TRP 3 HA TRP 3 -7.660 3.646 -3.041
19 HB2 TRP 3 HB1 TRP 3 -9.275 3.140 -5.363
20 HB3 TRP 3 HB2 TRP 3 -7.542 3.240 -5.625
21 HD1 TRP 3 HD1 TRP 3 -9.467 0.689 -5.591
22 HE1 TRP 3 HE1 TRP 3 -8.719 -1.410 -4.291
23 HE3 TRP 3 HE3 TRP 3 -6.361 2.954 -2.357
24 HZ2 TRP 3 HZ2 TRP 3 -6.992 -1.947 -2.100
25 HZ3 TRP 3 HZ3 TRP 3 -5.213 1.619 -0.667
26 HH2 TRP 3 HH2 TRP 3 -5.518 -0.777 -0.540
27 H GLY 4 HN GLY 4 -6.033 4.177 -3.686
28 HA2 GLY 4 HA2 GLY 4 -4.693 5.800 -5.117
29 HA3 GLY 4 HA1 GLY 4 -5.555 7.015 -4.158
30 H THR 5 HN THR 5 -5.564 4.478 -2.337
31 HA THR 5 HA THR 5 -3.205 5.112 -0.792
32 HB THR 5 HB THR 5 -5.952 4.213 -0.208
33 HG1 THR 5 HG1 THR 5 -4.173 5.644 1.473
34 HG21 THR 5 HG21 THR 5 -4.307 2.382 0.577
35 HG22 THR 5 HG22 THR 5 -5.502 2.991 1.725
36 HG23 THR 5 HG23 THR 5 -3.830 3.551 1.809
37 H LEU 6 HN LEU 6 -4.207 3.041 -3.077
38 HA LEU 6 HA LEU 6 -3.140 0.602 -2.027
39 HB2 LEU 6 HB1 LEU 6 -3.601 -0.342 -4.260
40 HB3 LEU 6 HB2 LEU 6 -4.983 0.364 -3.465
41 HG LEU 6 HG LEU 6 -3.534 1.525 -5.820
42 HD11 LEU 6 HD11 LEU 6 -6.392 0.724 -5.516
43 HD12 LEU 6 HD12 LEU 6 -5.158 -0.440 -6.036
44 HD13 LEU 6 HD13 LEU 6 -5.489 0.994 -7.016
45 HD21 LEU 6 HD21 LEU 6 -5.900 2.586 -4.327
46 HD22 LEU 6 HD22 LEU 6 -5.244 3.231 -5.842
47 HD23 LEU 6 HD23 LEU 6 -4.288 3.325 -4.364
48 H GLN 7 HN GLN 7 -2.300 1.945 -5.116
49 HA GLN 7 HA GLN 7 0.125 1.191 -5.581
50 HB2 GLN 7 HB1 GLN 7 0.585 3.906 -5.831
51 HB3 GLN 7 HB2 GLN 7 -0.128 2.867 -7.064
52 HG2 GLN 7 HG1 GLN 7 -1.545 4.747 -6.790
53 HG3 GLN 7 HG2 GLN 7 -2.339 3.364 -6.022
54 HE21 GLN 7 HE21 GLN 7 -2.482 3.259 -3.817
55 HE22 GLN 7 HE22 GLN 7 -2.204 4.605 -2.791
56 H THR 8 HN THR 8 -0.682 3.193 -2.836
57 HA THR 8 HA THR 8 2.106 3.448 -2.050
58 HB THR 8 HB THR 8 0.718 5.463 -1.863
59 HG1 THR 8 HG1 THR 8 1.876 4.264 0.411
60 HG21 THR 8 HG21 THR 8 -1.142 3.637 -0.844
61 HG22 THR 8 HG22 THR 8 -1.334 5.389 -1.012
62 HG23 THR 8 HG23 THR 8 -0.729 4.708 0.501
63 H ILE 9 HN ILE 9 -0.859 1.966 -1.045
64 HA ILE 9 HA ILE 9 0.580 0.526 1.036
65 HB ILE 9 HB ILE 9 -2.389 0.958 0.904
66 HG12 ILE 9 HG11 ILE 9 -1.198 3.028 1.457
67 HG13 ILE 9 HG12 ILE 9 -2.070 2.419 2.860
68 HG21 ILE 9 HG21 ILE 9 -0.684 -0.347 3.018
69 HG22 ILE 9 HG22 ILE 9 -1.834 -1.151 1.951
70 HG23 ILE 9 HG23 ILE 9 -2.408 -0.008 3.164
71 HD11 ILE 9 HD11 ILE 9 0.009 1.509 3.756
72 HD12 ILE 9 HD12 ILE 9 0.119 3.247 3.482
73 HD13 ILE 9 HD13 ILE 9 0.881 2.127 2.353
74 H LEU 10 HN LEU 10 -1.747 0.326 -1.462
75 HA LEU 10 HA LEU 10 -2.643 -1.307 -2.728
76 HB2 LEU 10 HB2 LEU 10 -0.332 -1.048 -3.537
77 HB3 LEU 10 HB1 LEU 10 0.123 -2.443 -2.578
78 HG LEU 10 HG LEU 10 -1.211 -3.900 -3.938
79 HD11 LEU 10 HD11 LEU 10 -3.029 -2.062 -4.230
80 HD12 LEU 10 HD12 LEU 10 -2.784 -3.245 -5.513
81 HD13 LEU 10 HD13 LEU 10 -2.104 -1.624 -5.666
82 HD21 LEU 10 HD21 LEU 10 0.312 -1.892 -5.559
83 HD22 LEU 10 HD22 LEU 10 -0.232 -3.450 -6.184
84 HD23 LEU 10 HD23 LEU 10 0.939 -3.385 -4.864
85 H GLY 11 HN GLY 11 -2.914 -3.646 -3.133
86 HA2 GLY 11 HA1 GLY 11 -4.071 -4.909 -0.967
87 HA3 GLY 11 HA2 GLY 11 -3.597 -5.679 -2.473
88 H GLY 12 HN GLY 12 -0.759 -4.769 -1.890
89 HA2 GLY 12 HA2 GLY 12 0.259 -5.829 0.447
90 HA3 GLY 12 HA1 GLY 12 0.103 -7.190 -0.653
91 H VAL 13 HN VAL 13 0.892 -3.890 -1.616
92 HA VAL 13 HA VAL 13 3.045 -4.640 -3.211
93 HB VAL 13 HB VAL 13 1.916 -2.509 -3.516
94 HG11 VAL 13 HG11 VAL 13 1.908 -2.270 -0.904
95 HG12 VAL 13 HG12 VAL 13 1.809 -0.858 -1.956
96 HG13 VAL 13 HG13 VAL 13 3.349 -1.306 -1.215
97 HG21 VAL 13 HG21 VAL 13 4.842 -2.169 -2.858
98 HG22 VAL 13 HG22 VAL 13 3.879 -1.088 -3.864
99 HG23 VAL 13 HG23 VAL 13 4.184 -2.743 -4.390
100 H ASN 14 HN ASN 14 5.262 -4.621 -2.952
101 HA ASN 14 HA ASN 14 6.298 -4.142 -0.248
102 HB2 ASN 14 HB1 ASN 14 7.669 -6.182 -0.389
103 HB3 ASN 14 HB2 ASN 14 5.949 -6.556 -0.449
104 HD21 ASN 14 HD21 ASN 14 8.384 -7.368 -3.586
105 HD22 ASN 14 HD22 ASN 14 8.924 -6.441 -2.233
106 H LYS 15 HN LYS 15 6.368 -2.935 -3.094
107 HA LYS 15 HA LYS 15 9.116 -3.074 -3.881
108 HB2 LYS 15 HB1 LYS 15 6.957 -1.109 -4.669
109 HB3 LYS 15 HB2 LYS 15 8.521 -1.271 -5.456
110 HG2 LYS 15 HG2 LYS 15 7.957 -3.553 -6.119
111 HG3 LYS 15 HG1 LYS 15 6.388 -3.394 -5.327
112 HD2 LYS 15 HD2 LYS 15 7.350 -1.640 -7.585
113 HD3 LYS 15 HD1 LYS 15 6.300 -3.045 -7.785
114 HE2 LYS 15 HE1 LYS 15 4.626 -1.994 -6.339
115 HE3 LYS 15 HE2 LYS 15 5.674 -0.590 -6.146
116 HZ1 LYS 15 HZ1 LYS 15 4.509 -1.536 -8.709
117 HZ2 LYS 15 HZ2 LYS 15 5.515 -0.190 -8.524
118 HZ3 LYS 15 HZ3 LYS 15 3.979 -0.199 -7.815
119 H HIS 16 HN HIS 16 7.485 -1.429 -1.438
120 HA HIS 16 HA HIS 16 9.192 0.905 -1.403
121 HB2 HIS 16 HB1 HIS 16 7.188 -0.076 0.638
122 HB3 HIS 16 HB2 HIS 16 7.971 1.500 0.643
123 HD1 HIS 16 HD1 HIS 16 5.040 -0.251 -0.614
124 HD2 HIS 16 HD2 HIS 16 7.196 3.146 -1.650
125 HE1 HIS 16 HE1 HIS 16 3.527 1.071 -2.126
126 HE2 HIS 16 HE2 HIS 16 4.851 3.124 -2.739
127 H SER 17 HN SER 17 10.919 1.274 -0.100
128 HA SER 17 HA SER 17 12.369 -0.926 0.902
129 HB2 SER 17 HB1 SER 17 12.727 2.028 1.468
130 HB3 SER 17 HB2 SER 17 13.911 0.772 1.825
131 HG SER 17 HG SER 17 12.908 1.050 -0.784
132 H THR 18 HN THR 18 10.690 1.711 2.613
133 HA THR 18 HA THR 18 11.131 0.683 5.205
134 HB THR 18 HB THR 18 8.857 2.476 4.334
135 HG1 THR 18 HG1 THR 18 11.338 2.999 4.007
136 HG21 THR 18 HG21 THR 18 10.231 2.130 7.000
137 HG22 THR 18 HG22 THR 18 8.609 1.573 6.591
138 HG23 THR 18 HG23 THR 18 8.962 3.300 6.643
139 H SER 19 HN SER 19 9.656 -0.346 6.638
140 HA SER 19 HA SER 19 8.089 -2.389 5.380
141 HB2 SER 19 HB1 SER 19 9.438 -2.688 7.501
142 HB3 SER 19 HB2 SER 19 8.198 -1.737 8.317
143 HG SER 19 HG SER 19 8.168 -4.331 7.752
144 H ILE 20 HN ILE 20 7.444 0.709 5.813
145 HA ILE 20 HA ILE 20 5.622 2.036 6.115
146 HB ILE 20 HB ILE 20 3.885 1.573 4.648
147 HG12 ILE 20 HG12 ILE 20 4.462 -1.386 4.933
148 HG13 ILE 20 HG11 ILE 20 3.136 -0.543 5.726
149 HG21 ILE 20 HG21 ILE 20 6.352 0.076 3.819
150 HG22 ILE 20 HG22 ILE 20 5.874 1.723 3.396
151 HG23 ILE 20 HG23 ILE 20 4.996 0.349 2.720
152 HD11 ILE 20 HD11 ILE 20 2.216 0.024 3.514
153 HD12 ILE 20 HD12 ILE 20 2.318 -1.714 3.798
154 HD13 ILE 20 HD13 ILE 20 3.506 -0.918 2.766
155 H GLY 21 HN GLY 21 2.959 1.633 6.530
156 HA2 GLY 21 HA1 GLY 21 1.395 0.620 8.014
157 HA3 GLY 21 HA2 GLY 21 2.739 -0.029 8.942
158 H LYS 22 HN LYS 22 4.202 1.790 9.872
159 HA LYS 22 HA LYS 22 2.614 4.085 10.752
160 HB2 LYS 22 HB1 LYS 22 4.015 2.166 12.623
161 HB3 LYS 22 HB2 LYS 22 3.303 3.700 13.103
162 HG2 LYS 22 HG2 LYS 22 1.111 2.935 12.614
163 HG3 LYS 22 HG1 LYS 22 1.729 1.487 11.816
164 HD2 LYS 22 HD2 LYS 22 2.608 0.670 13.930
165 HD3 LYS 22 HD1 LYS 22 2.057 2.137 14.744
166 HE2 LYS 22 HE1 LYS 22 0.307 0.087 13.390
167 HE3 LYS 22 HE2 LYS 22 0.515 0.287 15.129
168 HZ1 LYS 22 HZ1 LYS 22 -0.636 2.310 13.285
169 HZ2 LYS 22 HZ2 LYS 22 -0.442 2.498 14.954
170 HZ3 LYS 22 HZ3 LYS 22 -1.515 1.338 14.354
Start of MODEL 13
1 H1 ACE 0 HA1 ACE 0 -13.965 0.032 -0.913
2 H2 ACE 0 HA2 ACE 0 -14.682 1.611 -0.606
3 H3 ACE 0 HA3 ACE 0 -15.031 0.287 0.502
4 H MET 1 HN MET 1 -11.867 0.795 -0.868
5 HA MET 1 HA MET 1 -10.799 1.184 1.805
6 HB2 MET 1 HB1 MET 1 -9.772 -0.492 0.317
7 HB3 MET 1 HB2 MET 1 -9.342 0.803 -0.800
8 HG2 MET 1 HG1 MET 1 -7.596 -0.120 0.891
9 HG3 MET 1 HG2 MET 1 -7.672 1.613 0.540
10 HE1 MET 1 HE1 MET 1 -8.453 -1.259 3.095
11 HE2 MET 1 HE2 MET 1 -10.068 -0.632 2.760
12 HE3 MET 1 HE3 MET 1 -9.348 -0.407 4.354
13 H ASP 2 HN ASP 2 -12.129 3.255 -0.177
14 HA ASP 2 HA ASP 2 -11.887 5.523 -0.505
15 HB2 ASP 2 HB2 ASP 2 -10.337 4.903 1.945
16 HB3 ASP 2 HB1 ASP 2 -9.945 6.406 1.151
17 H TRP 3 HN TRP 3 -10.192 3.293 -1.490
18 HA TRP 3 HA TRP 3 -7.726 3.431 -1.880
19 HB2 TRP 3 HB1 TRP 3 -9.870 2.820 -3.693
20 HB3 TRP 3 HB2 TRP 3 -8.276 3.004 -4.405
21 HD1 TRP 3 HD1 TRP 3 -9.992 0.360 -3.871
22 HE1 TRP 3 HE1 TRP 3 -8.820 -1.685 -2.823
23 HE3 TRP 3 HE3 TRP 3 -6.259 2.810 -1.568
24 HZ2 TRP 3 HZ2 TRP 3 -6.550 -2.113 -1.169
25 HZ3 TRP 3 HZ3 TRP 3 -4.639 1.551 -0.247
26 HH2 TRP 3 HH2 TRP 3 -4.776 -0.855 -0.053
27 H GLY 4 HN GLY 4 -6.359 4.036 -2.934
28 HA2 GLY 4 HA2 GLY 4 -5.532 5.708 -4.665
29 HA3 GLY 4 HA1 GLY 4 -6.167 6.888 -3.506
30 H THR 5 HN THR 5 -5.567 4.379 -1.754
31 HA THR 5 HA THR 5 -2.915 5.141 -0.892
32 HB THR 5 HB THR 5 -5.361 4.117 0.398
33 HG1 THR 5 HG1 THR 5 -3.937 5.432 2.107
34 HG21 THR 5 HG21 THR 5 -3.482 2.375 0.717
35 HG22 THR 5 HG22 THR 5 -4.354 2.943 2.143
36 HG23 THR 5 HG23 THR 5 -2.749 3.579 1.776
37 H LEU 6 HN LEU 6 -4.380 3.002 -2.837
38 HA LEU 6 HA LEU 6 -2.960 0.627 -2.108
39 HB2 LEU 6 HB1 LEU 6 -3.941 -0.361 -4.149
40 HB3 LEU 6 HB2 LEU 6 -5.097 0.281 -3.015
41 HG LEU 6 HG LEU 6 -4.382 1.494 -5.663
42 HD11 LEU 6 HD11 LEU 6 -7.013 0.551 -4.616
43 HD12 LEU 6 HD12 LEU 6 -5.903 -0.552 -5.452
44 HD13 LEU 6 HD13 LEU 6 -6.556 0.856 -6.300
45 HD21 LEU 6 HD21 LEU 6 -6.318 2.447 -3.591
46 HD22 LEU 6 HD22 LEU 6 -6.125 3.109 -5.224
47 HD23 LEU 6 HD23 LEU 6 -4.815 3.266 -4.053
48 H GLN 7 HN GLN 7 -3.020 1.969 -5.308
49 HA GLN 7 HA GLN 7 -0.771 1.326 -6.395
50 HB2 GLN 7 HB1 GLN 7 -0.517 4.058 -6.743
51 HB3 GLN 7 HB2 GLN 7 -1.477 2.979 -7.751
52 HG2 GLN 7 HG1 GLN 7 -2.860 4.792 -7.108
53 HG3 GLN 7 HG2 GLN 7 -3.361 3.382 -6.165
54 HE21 GLN 7 HE21 GLN 7 -2.921 3.290 -4.000
55 HE22 GLN 7 HE22 GLN 7 -2.446 4.656 -3.077
56 H THR 8 HN THR 8 -0.919 3.317 -3.527
57 HA THR 8 HA THR 8 1.963 3.698 -3.498
58 HB THR 8 HB THR 8 0.599 5.655 -2.946
59 HG1 THR 8 HG1 THR 8 1.776 6.198 -1.098
60 HG21 THR 8 HG21 THR 8 -0.864 3.758 -1.488
61 HG22 THR 8 HG22 THR 8 -1.175 5.496 -1.617
62 HG23 THR 8 HG23 THR 8 -0.178 4.873 -0.299
63 H ILE 9 HN ILE 9 -0.568 2.107 -1.746
64 HA ILE 9 HA ILE 9 1.429 0.741 -0.125
65 HB ILE 9 HB ILE 9 -1.485 1.050 0.533
66 HG12 ILE 9 HG11 ILE 9 -0.283 3.175 0.751
67 HG13 ILE 9 HG12 ILE 9 -0.724 2.548 2.334
68 HG21 ILE 9 HG21 ILE 9 0.775 -0.157 2.119
69 HG22 ILE 9 HG22 ILE 9 -0.582 -1.021 1.399
70 HG23 ILE 9 HG23 ILE 9 -0.862 0.114 2.719
71 HD11 ILE 9 HD11 ILE 9 1.997 2.372 1.064
72 HD12 ILE 9 HD12 ILE 9 1.556 1.737 2.649
73 HD13 ILE 9 HD13 ILE 9 1.513 3.475 2.352
74 H LEU 10 HN LEU 10 -1.461 0.426 -1.926
75 HA LEU 10 HA LEU 10 -2.585 -1.247 -2.926
76 HB2 LEU 10 HB2 LEU 10 -0.566 -0.937 -4.293
77 HB3 LEU 10 HB1 LEU 10 0.169 -2.293 -3.461
78 HG LEU 10 HG LEU 10 -1.400 -3.827 -4.427
79 HD11 LEU 10 HD11 LEU 10 -3.301 -2.056 -4.268
80 HD12 LEU 10 HD12 LEU 10 -3.347 -3.264 -5.550
81 HD13 LEU 10 HD13 LEU 10 -2.795 -1.627 -5.902
82 HD21 LEU 10 HD21 LEU 10 -0.423 -1.796 -6.404
83 HD22 LEU 10 HD22 LEU 10 -1.036 -3.389 -6.851
84 HD23 LEU 10 HD23 LEU 10 0.426 -3.247 -5.870
85 H GLY 11 HN GLY 11 -2.886 -3.592 -3.230
86 HA2 GLY 11 HA1 GLY 11 -3.493 -4.855 -0.874
87 HA3 GLY 11 HA2 GLY 11 -3.275 -5.654 -2.424
88 H GLY 12 HN GLY 12 -0.416 -4.671 -2.463
89 HA2 GLY 12 HA2 GLY 12 0.996 -5.689 -0.269
90 HA3 GLY 12 HA1 GLY 12 0.780 -6.997 -1.421
91 H VAL 13 HN VAL 13 1.195 -3.624 -2.367
92 HA VAL 13 HA VAL 13 3.467 -4.353 -3.969
93 HB VAL 13 HB VAL 13 1.665 -2.628 -4.578
94 HG11 VAL 13 HG11 VAL 13 3.112 -1.277 -2.431
95 HG12 VAL 13 HG12 VAL 13 1.476 -1.017 -3.027
96 HG13 VAL 13 HG13 VAL 13 2.849 -0.295 -3.868
97 HG21 VAL 13 HG21 VAL 13 3.251 -1.331 -5.918
98 HG22 VAL 13 HG22 VAL 13 3.638 -3.050 -5.942
99 HG23 VAL 13 HG23 VAL 13 4.582 -1.949 -4.940
100 H ASN 14 HN ASN 14 3.424 -4.184 -0.876
101 HA ASN 14 HA ASN 14 5.498 -2.250 -0.338
102 HB2 ASN 14 HB1 ASN 14 4.273 -4.367 1.439
103 HB3 ASN 14 HB2 ASN 14 5.382 -3.109 1.974
104 HD21 ASN 14 HD21 ASN 14 4.226 -1.106 0.199
105 HD22 ASN 14 HD22 ASN 14 2.720 -0.650 0.912
106 H LYS 15 HN LYS 15 7.192 -2.981 -1.672
107 HA LYS 15 HA LYS 15 8.611 -5.317 -0.585
108 HB2 LYS 15 HB1 LYS 15 8.303 -4.554 -3.493
109 HB3 LYS 15 HB2 LYS 15 9.483 -5.723 -2.913
110 HG2 LYS 15 HG1 LYS 15 7.763 -7.085 -3.586
111 HG3 LYS 15 HG2 LYS 15 7.413 -6.897 -1.868
112 HD2 LYS 15 HD2 LYS 15 5.365 -6.629 -3.070
113 HD3 LYS 15 HD1 LYS 15 5.850 -5.044 -2.466
114 HE2 LYS 15 HE1 LYS 15 5.050 -4.906 -4.767
115 HE3 LYS 15 HE2 LYS 15 6.756 -4.472 -4.654
116 HZ1 LYS 15 HZ1 LYS 15 7.334 -6.689 -5.422
117 HZ2 LYS 15 HZ2 LYS 15 6.336 -5.911 -6.544
118 HZ3 LYS 15 HZ3 LYS 15 5.697 -7.105 -5.531
119 H HIS 16 HN HIS 16 8.612 -2.061 -1.100
120 HA HIS 16 HA HIS 16 11.557 -1.944 -1.083
121 HB2 HIS 16 HB1 HIS 16 11.411 0.232 -2.197
122 HB3 HIS 16 HB2 HIS 16 10.637 -1.016 -3.166
123 HD1 HIS 16 HD1 HIS 16 8.038 -0.922 -3.368
124 HD2 HIS 16 HD2 HIS 16 9.730 2.254 -1.289
125 HE1 HIS 16 HE1 HIS 16 6.226 0.814 -3.201
126 HE2 HIS 16 HE2 HIS 16 7.272 2.727 -1.938
127 H SER 17 HN SER 17 8.578 -0.963 0.362
128 HA SER 17 HA SER 17 8.072 0.059 2.324
129 HB2 SER 17 HB2 SER 17 9.771 -1.411 3.310
130 HB3 SER 17 HB1 SER 17 11.031 -0.248 2.896
131 HG SER 17 HG SER 17 9.575 -0.320 5.082
132 H THR 18 HN THR 18 7.883 2.123 3.143
133 HA THR 18 HA THR 18 8.012 4.394 3.194
134 HB THR 18 HB THR 18 10.836 4.021 2.179
135 HG1 THR 18 HG1 THR 18 9.666 3.592 4.623
136 HG21 THR 18 HG21 THR 18 9.517 6.352 3.575
137 HG22 THR 18 HG22 THR 18 10.026 6.304 1.887
138 HG23 THR 18 HG23 THR 18 11.230 6.234 3.174
139 H SER 19 HN SER 19 6.941 5.647 1.833
140 HA SER 19 HA SER 19 6.622 5.143 -0.877
141 HB2 SER 19 HB2 SER 19 5.684 7.437 -1.023
142 HB3 SER 19 HB1 SER 19 5.032 6.520 0.335
143 HG SER 19 HG SER 19 5.623 8.225 1.425
144 H ILE 20 HN ILE 20 7.499 5.991 -2.742
145 HA ILE 20 HA ILE 20 9.796 7.780 -2.503
146 HB ILE 20 HB ILE 20 11.123 6.320 -3.996
147 HG12 ILE 20 HG12 ILE 20 8.895 4.343 -3.457
148 HG13 ILE 20 HG11 ILE 20 9.282 5.070 -5.013
149 HG21 ILE 20 HG21 ILE 20 10.247 5.227 -1.331
150 HG22 ILE 20 HG22 ILE 20 11.646 6.244 -1.683
151 HG23 ILE 20 HG23 ILE 20 11.611 4.572 -2.241
152 HD11 ILE 20 HD11 ILE 20 10.979 3.138 -3.458
153 HD12 ILE 20 HD12 ILE 20 11.482 3.946 -4.942
154 HD13 ILE 20 HD13 ILE 20 10.115 2.831 -4.965
155 H GLY 21 HN GLY 21 6.967 7.714 -3.659
156 HA2 GLY 21 HA1 GLY 21 7.026 9.501 -5.620
157 HA3 GLY 21 HA2 GLY 21 7.492 8.057 -6.508
158 H LYS 22 HN LYS 22 5.983 6.234 -6.480
159 HA LYS 22 HA LYS 22 3.240 7.207 -6.657
160 HB2 LYS 22 HB1 LYS 22 4.433 4.554 -7.489
161 HB3 LYS 22 HB2 LYS 22 2.787 5.083 -7.813
162 HG2 LYS 22 HG2 LYS 22 5.274 6.432 -8.844
163 HG3 LYS 22 HG1 LYS 22 4.260 5.317 -9.761
164 HD2 LYS 22 HD1 LYS 22 2.362 6.843 -9.516
165 HD3 LYS 22 HD2 LYS 22 3.376 7.958 -8.599
166 HE2 LYS 22 HE1 LYS 22 4.841 8.219 -10.545
167 HE3 LYS 22 HE2 LYS 22 3.817 7.113 -11.461
168 HZ1 LYS 22 HZ1 LYS 22 1.983 8.666 -11.222
169 HZ2 LYS 22 HZ2 LYS 22 3.304 9.418 -11.965
170 HZ3 LYS 22 HZ3 LYS 22 2.962 9.726 -10.337
Start of MODEL 14
1 H1 ACE 0 HA1 ACE 0 -13.913 -0.349 -1.582
2 H2 ACE 0 HA2 ACE 0 -14.624 1.261 -1.497
3 H3 ACE 0 HA3 ACE 0 -15.148 0.035 -0.345
4 H MET 1 HN MET 1 -11.837 0.573 -1.384
5 HA MET 1 HA MET 1 -11.067 1.002 1.383
6 HB2 MET 1 HB1 MET 1 -9.820 -0.619 0.004
7 HB3 MET 1 HB2 MET 1 -9.329 0.707 -1.051
8 HG2 MET 1 HG2 MET 1 -7.631 1.202 0.277
9 HG3 MET 1 HG1 MET 1 -8.717 1.373 1.660
10 HE1 MET 1 HE1 MET 1 -5.915 -0.898 3.148
11 HE2 MET 1 HE2 MET 1 -6.855 0.581 3.350
12 HE3 MET 1 HE3 MET 1 -5.721 0.434 2.008
13 H ASP 2 HN ASP 2 -12.291 3.031 -0.676
14 HA ASP 2 HA ASP 2 -12.114 5.309 -0.975
15 HB2 ASP 2 HB2 ASP 2 -10.687 4.734 1.560
16 HB3 ASP 2 HB1 ASP 2 -10.290 6.246 0.787
17 H TRP 3 HN TRP 3 -10.302 3.130 -1.857
18 HA TRP 3 HA TRP 3 -7.824 3.340 -2.115
19 HB2 TRP 3 HB1 TRP 3 -9.848 2.665 -4.038
20 HB3 TRP 3 HB2 TRP 3 -8.224 2.896 -4.665
21 HD1 TRP 3 HD1 TRP 3 -9.884 0.200 -4.219
22 HE1 TRP 3 HE1 TRP 3 -8.707 -1.806 -3.102
23 HE3 TRP 3 HE3 TRP 3 -6.356 2.767 -1.729
24 HZ2 TRP 3 HZ2 TRP 3 -6.514 -2.161 -1.333
25 HZ3 TRP 3 HZ3 TRP 3 -4.767 1.561 -0.323
26 HH2 TRP 3 HH2 TRP 3 -4.840 -0.849 -0.130
27 H GLY 4 HN GLY 4 -6.420 3.982 -3.097
28 HA2 GLY 4 HA2 GLY 4 -5.545 5.675 -4.783
29 HA3 GLY 4 HA1 GLY 4 -6.277 6.839 -3.664
30 H THR 5 HN THR 5 -5.697 4.342 -1.879
31 HA THR 5 HA THR 5 -3.122 5.185 -0.875
32 HB THR 5 HB THR 5 -5.602 4.091 0.284
33 HG1 THR 5 HG1 THR 5 -5.177 6.169 0.809
34 HG21 THR 5 HG21 THR 5 -3.682 2.407 0.702
35 HG22 THR 5 HG22 THR 5 -4.661 2.934 2.073
36 HG23 THR 5 HG23 THR 5 -3.060 3.630 1.810
37 H LEU 6 HN LEU 6 -4.416 3.004 -2.892
38 HA LEU 6 HA LEU 6 -2.960 0.675 -2.090
39 HB2 LEU 6 HB1 LEU 6 -3.807 -0.344 -4.171
40 HB3 LEU 6 HB2 LEU 6 -5.040 0.267 -3.102
41 HG LEU 6 HG LEU 6 -4.222 1.491 -5.715
42 HD11 LEU 6 HD11 LEU 6 -6.877 0.481 -4.800
43 HD12 LEU 6 HD12 LEU 6 -5.695 -0.594 -5.574
44 HD13 LEU 6 HD13 LEU 6 -6.343 0.793 -6.460
45 HD21 LEU 6 HD21 LEU 6 -6.288 2.398 -3.753
46 HD22 LEU 6 HD22 LEU 6 -6.023 3.062 -5.375
47 HD23 LEU 6 HD23 LEU 6 -4.785 3.256 -4.135
48 H GLN 7 HN GLN 7 -2.903 2.012 -5.291
49 HA GLN 7 HA GLN 7 -0.580 1.448 -6.261
50 HB2 GLN 7 HB1 GLN 7 -0.405 4.184 -6.606
51 HB3 GLN 7 HB2 GLN 7 -1.277 3.071 -7.657
52 HG2 GLN 7 HG1 GLN 7 -2.752 4.837 -7.089
53 HG3 GLN 7 HG2 GLN 7 -3.250 3.412 -6.167
54 HE21 GLN 7 HE21 GLN 7 -2.914 3.340 -3.983
55 HE22 GLN 7 HE22 GLN 7 -2.531 4.723 -3.042
56 H THR 8 HN THR 8 -0.943 3.436 -3.411
57 HA THR 8 HA THR 8 1.918 3.923 -3.240
58 HB THR 8 HB THR 8 0.452 5.827 -2.764
59 HG1 THR 8 HG1 THR 8 2.376 4.846 -1.110
60 HG21 THR 8 HG21 THR 8 -1.007 3.882 -1.374
61 HG22 THR 8 HG22 THR 8 -1.370 5.609 -1.510
62 HG23 THR 8 HG23 THR 8 -0.413 5.013 -0.152
63 H ILE 9 HN ILE 9 -0.637 2.241 -1.611
64 HA ILE 9 HA ILE 9 1.326 0.953 0.110
65 HB ILE 9 HB ILE 9 -1.626 1.147 0.629
66 HG12 ILE 9 HG11 ILE 9 -0.530 3.324 0.886
67 HG13 ILE 9 HG12 ILE 9 -1.012 2.685 2.453
68 HG21 ILE 9 HG21 ILE 9 -0.604 -0.883 1.530
69 HG22 ILE 9 HG22 ILE 9 -1.116 0.211 2.814
70 HG23 ILE 9 HG23 ILE 9 0.589 0.096 2.380
71 HD11 ILE 9 HD11 ILE 9 1.178 3.711 2.565
72 HD12 ILE 9 HD12 ILE 9 1.767 2.628 1.304
73 HD13 ILE 9 HD13 ILE 9 1.286 1.978 2.872
74 H LEU 10 HN LEU 10 -1.460 0.531 -1.828
75 HA LEU 10 HA LEU 10 -2.475 -1.189 -2.869
76 HB2 LEU 10 HB2 LEU 10 -0.402 -0.787 -4.141
77 HB3 LEU 10 HB1 LEU 10 0.338 -2.127 -3.290
78 HG LEU 10 HG LEU 10 -1.133 -3.701 -4.340
79 HD11 LEU 10 HD11 LEU 10 -3.111 -2.022 -4.246
80 HD12 LEU 10 HD12 LEU 10 -3.040 -3.188 -5.565
81 HD13 LEU 10 HD13 LEU 10 -2.540 -1.519 -5.835
82 HD21 LEU 10 HD21 LEU 10 -0.143 -1.614 -6.251
83 HD22 LEU 10 HD22 LEU 10 -0.680 -3.222 -6.740
84 HD23 LEU 10 HD23 LEU 10 0.732 -3.040 -5.695
85 H GLY 11 HN GLY 11 -2.612 -3.567 -3.201
86 HA2 GLY 11 HA1 GLY 11 -3.279 -4.859 -0.873
87 HA3 GLY 11 HA2 GLY 11 -2.941 -5.643 -2.408
88 H GLY 12 HN GLY 12 -0.145 -4.486 -2.289
89 HA2 GLY 12 HA2 GLY 12 1.244 -5.380 -0.050
90 HA3 GLY 12 HA1 GLY 12 1.112 -6.750 -1.140
91 H VAL 13 HN VAL 13 1.351 -3.468 -2.337
92 HA VAL 13 HA VAL 13 3.568 -4.081 -3.966
93 HB VAL 13 HB VAL 13 1.875 -2.255 -4.388
94 HG11 VAL 13 HG11 VAL 13 2.907 -1.356 -1.939
95 HG12 VAL 13 HG12 VAL 13 1.667 -0.595 -2.935
96 HG13 VAL 13 HG13 VAL 13 3.365 -0.163 -3.152
97 HG21 VAL 13 HG21 VAL 13 3.484 -0.796 -5.511
98 HG22 VAL 13 HG22 VAL 13 3.895 -2.496 -5.738
99 HG23 VAL 13 HG23 VAL 13 4.795 -1.519 -4.578
100 H ASN 14 HN ASN 14 5.691 -3.115 -3.930
101 HA ASN 14 HA ASN 14 7.682 -2.586 -2.982
102 HB2 ASN 14 HB1 ASN 14 5.994 -1.499 -0.723
103 HB3 ASN 14 HB2 ASN 14 7.716 -1.207 -0.942
104 HD21 ASN 14 HD21 ASN 14 5.491 0.674 -0.848
105 HD22 ASN 14 HD22 ASN 14 5.547 1.553 -2.334
106 H LYS 15 HN LYS 15 5.585 -4.811 -1.727
107 HA LYS 15 HA LYS 15 5.760 -6.600 -0.335
108 HB2 LYS 15 HB1 LYS 15 8.700 -6.247 -0.945
109 HB3 LYS 15 HB2 LYS 15 7.973 -7.690 -0.252
110 HG2 LYS 15 HG2 LYS 15 7.330 -6.559 -2.969
111 HG3 LYS 15 HG1 LYS 15 8.419 -7.912 -2.655
112 HD2 LYS 15 HD2 LYS 15 5.496 -7.850 -1.909
113 HD3 LYS 15 HD1 LYS 15 6.149 -8.622 -3.355
114 HE2 LYS 15 HE2 LYS 15 7.505 -10.099 -1.952
115 HE3 LYS 15 HE1 LYS 15 6.846 -9.331 -0.508
116 HZ1 LYS 15 HZ1 LYS 15 5.711 -11.402 -1.000
117 HZ2 LYS 15 HZ2 LYS 15 5.279 -10.835 -2.533
118 HZ3 LYS 15 HZ3 LYS 15 4.645 -10.096 -1.150
119 H HIS 16 HN HIS 16 5.059 -5.737 1.598
120 HA HIS 16 HA HIS 16 7.103 -5.466 3.635
121 HB2 HIS 16 HB1 HIS 16 6.258 -3.318 4.475
122 HB3 HIS 16 HB2 HIS 16 6.876 -3.161 2.834
123 HD1 HIS 16 HD1 HIS 16 5.228 -2.485 1.010
124 HD2 HIS 16 HD2 HIS 16 3.444 -3.058 4.719
125 HE1 HIS 16 HE1 HIS 16 2.897 -1.571 0.784
126 HE2 HIS 16 HE2 HIS 16 1.835 -1.928 3.040
127 H SER 17 HN SER 17 5.960 -5.023 5.837
128 HA SER 17 HA SER 17 3.718 -6.903 5.982
129 HB2 SER 17 HB1 SER 17 5.531 -5.840 8.163
130 HB3 SER 17 HB2 SER 17 4.257 -7.038 8.391
131 HG SER 17 HG SER 17 6.394 -7.929 8.100
132 H THR 18 HN THR 18 4.699 -3.896 7.638
133 HA THR 18 HA THR 18 1.915 -2.981 7.471
134 HB THR 18 HB THR 18 2.037 -2.093 9.767
135 HG1 THR 18 HG1 THR 18 3.795 -2.957 11.092
136 HG21 THR 18 HG21 THR 18 1.009 -4.280 9.394
137 HG22 THR 18 HG22 THR 18 1.830 -4.230 10.954
138 HG23 THR 18 HG23 THR 18 2.579 -5.060 9.589
139 H SER 19 HN SER 19 2.279 -0.599 8.908
140 HA SER 19 HA SER 19 3.089 1.178 6.984
141 HB2 SER 19 HB1 SER 19 3.220 1.556 9.983
142 HB3 SER 19 HB2 SER 19 3.299 2.853 8.792
143 HG SER 19 HG SER 19 1.169 1.380 8.239
144 H ILE 20 HN ILE 20 4.946 2.365 6.557
145 HA ILE 20 HA ILE 20 7.417 1.460 7.852
146 HB ILE 20 HB ILE 20 8.537 1.348 5.686
147 HG12 ILE 20 HG12 ILE 20 5.779 1.800 4.521
148 HG13 ILE 20 HG11 ILE 20 7.097 2.967 4.495
149 HG21 ILE 20 HG21 ILE 20 6.071 -0.351 6.006
150 HG22 ILE 20 HG22 ILE 20 7.718 -0.717 6.527
151 HG23 ILE 20 HG23 ILE 20 7.326 -0.680 4.808
152 HD11 ILE 20 HD11 ILE 20 6.883 1.866 2.356
153 HD12 ILE 20 HD12 ILE 20 7.076 0.290 3.123
154 HD13 ILE 20 HD13 ILE 20 8.416 1.438 3.116
155 H GLY 21 HN GLY 21 9.312 2.898 6.869
156 HA2 GLY 21 HA2 GLY 21 8.605 5.585 6.171
157 HA3 GLY 21 HA1 GLY 21 9.070 5.446 7.860
158 H LYS 22 HN LYS 22 10.251 4.229 4.719
159 HA LYS 22 HA LYS 22 12.990 4.708 5.635
160 HB2 LYS 22 HB2 LYS 22 11.852 3.108 3.347
161 HB3 LYS 22 HB1 LYS 22 13.570 3.443 3.497
162 HG2 LYS 22 HG1 LYS 22 13.227 1.292 4.394
163 HG3 LYS 22 HG2 LYS 22 13.472 2.368 5.770
164 HD2 LYS 22 HD2 LYS 22 11.059 2.476 6.126
165 HD3 LYS 22 HD1 LYS 22 10.801 1.420 4.737
166 HE2 LYS 22 HE1 LYS 22 12.066 -0.354 5.861
167 HE3 LYS 22 HE2 LYS 22 12.299 0.703 7.254
168 HZ1 LYS 22 HZ1 LYS 22 9.684 -0.268 6.233
169 HZ2 LYS 22 HZ2 LYS 22 9.899 0.757 7.562
170 HZ3 LYS 22 HZ3 LYS 22 10.478 -0.832 7.617
Start of MODEL 15
1 H1 ACE 0 HA1 ACE 0 -14.065 2.458 0.862
2 H2 ACE 0 HA2 ACE 0 -14.226 0.874 1.617
3 H3 ACE 0 HA3 ACE 0 -13.457 0.992 0.036
4 H MET 1 HN MET 1 -11.634 2.789 0.113
5 HA MET 1 HA MET 1 -10.084 2.602 2.565
6 HB2 MET 1 HB1 MET 1 -9.425 0.640 1.224
7 HB3 MET 1 HB2 MET 1 -8.973 1.725 -0.089
8 HG2 MET 1 HG1 MET 1 -7.173 0.795 1.542
9 HG3 MET 1 HG2 MET 1 -7.084 2.466 0.970
10 HE1 MET 1 HE1 MET 1 -8.571 1.171 5.158
11 HE2 MET 1 HE2 MET 1 -7.926 0.058 3.951
12 HE3 MET 1 HE3 MET 1 -9.479 0.849 3.681
13 H ASP 2 HN ASP 2 -11.376 4.567 0.452
14 HA ASP 2 HA ASP 2 -10.914 6.727 -0.201
15 HB2 ASP 2 HB2 ASP 2 -9.192 6.223 2.158
16 HB3 ASP 2 HB1 ASP 2 -8.716 7.552 1.135
17 H TRP 3 HN TRP 3 -9.602 4.195 -1.026
18 HA TRP 3 HA TRP 3 -7.195 3.967 -1.656
19 HB2 TRP 3 HB1 TRP 3 -9.577 3.419 -3.165
20 HB3 TRP 3 HB2 TRP 3 -8.059 3.310 -4.040
21 HD1 TRP 3 HD1 TRP 3 -9.996 0.990 -2.999
22 HE1 TRP 3 HE1 TRP 3 -8.957 -1.044 -1.799
23 HE3 TRP 3 HE3 TRP 3 -5.781 3.210 -1.405
24 HZ2 TRP 3 HZ2 TRP 3 -6.584 -1.550 -0.321
25 HZ3 TRP 3 HZ3 TRP 3 -4.181 1.928 -0.083
26 HH2 TRP 3 HH2 TRP 3 -4.567 -0.398 0.444
27 H GLY 4 HN GLY 4 -5.887 4.258 -2.901
28 HA2 GLY 4 HA2 GLY 4 -5.060 5.584 -4.909
29 HA3 GLY 4 HA1 GLY 4 -5.429 6.970 -3.869
30 H THR 5 HN THR 5 -4.935 4.630 -1.859
31 HA THR 5 HA THR 5 -2.136 5.153 -1.352
32 HB THR 5 HB THR 5 -4.531 4.626 0.286
33 HG1 THR 5 HG1 THR 5 -3.832 6.594 0.691
34 HG21 THR 5 HG21 THR 5 -2.848 2.702 0.656
35 HG22 THR 5 HG22 THR 5 -3.494 3.542 2.067
36 HG23 THR 5 HG23 THR 5 -1.872 3.917 1.481
37 H LEU 6 HN LEU 6 -4.041 2.991 -2.842
38 HA LEU 6 HA LEU 6 -2.829 0.557 -1.944
39 HB2 LEU 6 HB1 LEU 6 -4.135 -0.528 -3.736
40 HB3 LEU 6 HB2 LEU 6 -5.080 0.388 -2.595
41 HG LEU 6 HG LEU 6 -4.519 1.170 -5.435
42 HD11 LEU 6 HD11 LEU 6 -7.113 0.711 -4.035
43 HD12 LEU 6 HD12 LEU 6 -6.237 -0.620 -4.815
44 HD13 LEU 6 HD13 LEU 6 -6.809 0.747 -5.779
45 HD21 LEU 6 HD21 LEU 6 -6.099 2.611 -3.344
46 HD22 LEU 6 HD22 LEU 6 -5.998 3.041 -5.060
47 HD23 LEU 6 HD23 LEU 6 -4.565 3.165 -4.040
48 H GLN 7 HN GLN 7 -3.096 1.424 -5.296
49 HA GLN 7 HA GLN 7 -1.078 0.425 -6.544
50 HB2 GLN 7 HB1 GLN 7 -0.528 3.083 -7.143
51 HB3 GLN 7 HB2 GLN 7 -1.687 2.043 -7.971
52 HG2 GLN 7 HG1 GLN 7 -2.873 3.977 -7.393
53 HG3 GLN 7 HG2 GLN 7 -3.322 2.760 -6.190
54 HE21 GLN 7 HE21 GLN 7 -2.638 2.942 -4.123
55 HE22 GLN 7 HE22 GLN 7 -1.946 4.369 -3.471
56 H THR 8 HN THR 8 -0.627 2.727 -3.936
57 HA THR 8 HA THR 8 2.273 2.669 -4.212
58 HB THR 8 HB THR 8 1.352 4.874 -3.924
59 HG1 THR 8 HG1 THR 8 2.561 4.005 -1.488
60 HG21 THR 8 HG21 THR 8 -0.344 3.466 -2.087
61 HG22 THR 8 HG22 THR 8 -0.523 5.103 -2.746
62 HG23 THR 8 HG23 THR 8 0.416 4.844 -1.273
63 H ILE 9 HN ILE 9 -0.255 1.889 -1.964
64 HA ILE 9 HA ILE 9 1.630 0.315 -0.389
65 HB ILE 9 HB ILE 9 -0.740 1.691 0.818
66 HG12 ILE 9 HG11 ILE 9 0.818 3.391 -0.048
67 HG13 ILE 9 HG12 ILE 9 0.790 3.383 1.711
68 HG21 ILE 9 HG21 ILE 9 1.687 0.359 2.008
69 HG22 ILE 9 HG22 ILE 9 0.014 -0.191 2.101
70 HG23 ILE 9 HG23 ILE 9 0.506 1.281 2.938
71 HD11 ILE 9 HD11 ILE 9 3.049 3.626 0.683
72 HD12 ILE 9 HD12 ILE 9 2.887 1.977 0.084
73 HD13 ILE 9 HD13 ILE 9 2.891 2.289 1.819
74 H LEU 10 HN LEU 10 -0.050 -0.343 -2.565
75 HA LEU 10 HA LEU 10 -2.444 -1.438 -2.334
76 HB2 LEU 10 HB2 LEU 10 -1.027 -1.541 -4.307
77 HB3 LEU 10 HB1 LEU 10 -0.124 -2.852 -3.590
78 HG LEU 10 HG LEU 10 -1.992 -4.338 -3.756
79 HD11 LEU 10 HD11 LEU 10 -3.586 -2.175 -3.391
80 HD12 LEU 10 HD12 LEU 10 -4.156 -3.738 -3.969
81 HD13 LEU 10 HD13 LEU 10 -3.792 -2.451 -5.119
82 HD21 LEU 10 HD21 LEU 10 -1.628 -2.649 -6.204
83 HD22 LEU 10 HD22 LEU 10 -2.452 -4.210 -6.206
84 HD23 LEU 10 HD23 LEU 10 -0.741 -4.114 -5.781
85 H GLY 11 HN GLY 11 -3.332 -3.445 -1.978
86 HA2 GLY 11 HA1 GLY 11 -2.922 -4.544 0.518
87 HA3 GLY 11 HA2 GLY 11 -3.812 -5.280 -0.802
88 H GLY 12 HN GLY 12 -1.204 -5.197 -2.406
89 HA2 GLY 12 HA1 GLY 12 0.094 -7.483 -1.059
90 HA3 GLY 12 HA2 GLY 12 -0.327 -7.546 -2.762
91 H VAL 13 HN VAL 13 0.476 -4.622 -2.992
92 HA VAL 13 HA VAL 13 3.017 -4.994 -4.027
93 HB VAL 13 HB VAL 13 1.385 -3.003 -4.331
94 HG11 VAL 13 HG11 VAL 13 2.012 -2.589 -1.728
95 HG12 VAL 13 HG12 VAL 13 1.348 -1.365 -2.811
96 HG13 VAL 13 HG13 VAL 13 3.088 -1.450 -2.533
97 HG21 VAL 13 HG21 VAL 13 3.223 -1.581 -5.101
98 HG22 VAL 13 HG22 VAL 13 3.483 -3.265 -5.555
99 HG23 VAL 13 HG23 VAL 13 4.370 -2.570 -4.199
100 H ASN 14 HN ASN 14 5.083 -4.099 -3.341
101 HA ASN 14 HA ASN 14 5.390 -4.147 -0.411
102 HB2 ASN 14 HB1 ASN 14 7.676 -5.104 -0.833
103 HB3 ASN 14 HB2 ASN 14 6.346 -6.172 -1.268
104 HD21 ASN 14 HD21 ASN 14 8.950 -4.827 -4.054
105 HD22 ASN 14 HD22 ASN 14 8.984 -4.267 -2.420
106 H LYS 15 HN LYS 15 5.749 -2.128 0.223
107 HA LYS 15 HA LYS 15 7.912 -0.630 -1.061
108 HB2 LYS 15 HB1 LYS 15 5.165 0.489 -0.477
109 HB3 LYS 15 HB2 LYS 15 6.560 1.458 -0.932
110 HG2 LYS 15 HG2 LYS 15 5.360 -0.715 -2.637
111 HG3 LYS 15 HG1 LYS 15 5.011 1.007 -2.804
112 HD2 LYS 15 HD1 LYS 15 7.764 -0.205 -3.032
113 HD3 LYS 15 HD2 LYS 15 6.721 0.168 -4.405
114 HE2 LYS 15 HE2 LYS 15 6.701 2.527 -3.743
115 HE3 LYS 15 HE1 LYS 15 7.755 2.149 -2.381
116 HZ1 LYS 15 HZ1 LYS 15 8.444 1.788 -5.247
117 HZ2 LYS 15 HZ2 LYS 15 9.456 1.436 -3.939
118 HZ3 LYS 15 HZ3 LYS 15 9.003 3.035 -4.249
119 H HIS 16 HN HIS 16 6.323 -1.716 1.693
120 HA HIS 16 HA HIS 16 6.938 0.303 3.559
121 HB2 HIS 16 HB2 HIS 16 6.627 -2.674 3.992
122 HB3 HIS 16 HB1 HIS 16 6.615 -1.455 5.262
123 HD1 HIS 16 HD1 HIS 16 4.495 -2.971 2.614
124 HD2 HIS 16 HD2 HIS 16 4.269 0.122 5.380
125 HE1 HIS 16 HE1 HIS 16 2.069 -2.313 2.689
126 HE2 HIS 16 HE2 HIS 16 1.954 -0.437 4.369
127 H SER 17 HN SER 17 8.518 -2.885 3.354
128 HA SER 17 HA SER 17 11.142 -1.673 3.429
129 HB2 SER 17 HB1 SER 17 10.177 -3.392 5.727
130 HB3 SER 17 HB2 SER 17 11.839 -2.852 5.488
131 HG SER 17 HG SER 17 9.571 -1.194 5.895
132 H THR 18 HN THR 18 9.973 -4.857 4.488
133 HA THR 18 HA THR 18 11.033 -6.061 2.043
134 HB THR 18 HB THR 18 12.166 -7.848 3.373
135 HG1 THR 18 HG1 THR 18 12.428 -7.592 5.544
136 HG21 THR 18 HG21 THR 18 13.196 -5.043 3.801
137 HG22 THR 18 HG22 THR 18 13.468 -6.042 2.375
138 HG23 THR 18 HG23 THR 18 14.155 -6.517 3.928
139 H SER 19 HN SER 19 9.835 -7.197 5.209
140 HA SER 19 HA SER 19 8.110 -9.103 3.862
141 HB2 SER 19 HB2 SER 19 7.580 -9.876 6.163
142 HB3 SER 19 HB1 SER 19 9.310 -9.883 5.824
143 HG SER 19 HG SER 19 9.437 -7.871 6.932
144 H ILE 20 HN ILE 20 5.855 -9.202 4.115
145 HA ILE 20 HA ILE 20 4.540 -6.849 5.250
146 HB ILE 20 HB ILE 20 3.098 -6.647 3.271
147 HG12 ILE 20 HG12 ILE 20 5.017 -8.622 2.017
148 HG13 ILE 20 HG11 ILE 20 3.346 -8.966 2.453
149 HG21 ILE 20 HG21 ILE 20 6.061 -6.370 2.818
150 HG22 ILE 20 HG22 ILE 20 4.945 -5.145 3.426
151 HG23 ILE 20 HG23 ILE 20 4.838 -5.681 1.749
152 HD11 ILE 20 HD11 ILE 20 2.605 -7.261 0.843
153 HD12 ILE 20 HD12 ILE 20 3.510 -8.574 0.089
154 HD13 ILE 20 HD13 ILE 20 4.286 -7.014 0.367
155 H GLY 21 HN GLY 21 4.826 -9.845 5.772
156 HA2 GLY 21 HA1 GLY 21 2.123 -10.254 6.630
157 HA3 GLY 21 HA2 GLY 21 2.547 -11.289 5.274
158 H LYS 22 HN LYS 22 4.710 -12.472 5.588
159 HA LYS 22 HA LYS 22 4.722 -13.566 8.316
160 HB2 LYS 22 HB1 LYS 22 5.837 -15.564 7.206
161 HB3 LYS 22 HB2 LYS 22 4.143 -15.299 6.825
162 HG2 LYS 22 HG1 LYS 22 6.258 -14.193 5.031
163 HG3 LYS 22 HG2 LYS 22 5.824 -15.901 4.942
164 HD2 LYS 22 HD2 LYS 22 3.847 -13.635 4.713
165 HD3 LYS 22 HD1 LYS 22 4.589 -14.449 3.334
166 HE2 LYS 22 HE2 LYS 22 2.871 -15.747 5.447
167 HE3 LYS 22 HE1 LYS 22 2.367 -15.346 3.806
168 HZ1 LYS 22 HZ1 LYS 22 4.515 -17.264 4.531
169 HZ2 LYS 22 HZ2 LYS 22 4.025 -16.883 2.957
170 HZ3 LYS 22 HZ3 LYS 22 2.960 -17.677 4.005
Start of MODEL 16
1 H1 ACE 0 HA1 ACE 0 -14.881 0.744 -0.498
2 H2 ACE 0 HA2 ACE 0 -14.618 -0.989 -0.328
3 H3 ACE 0 HA3 ACE 0 -13.833 -0.134 -1.653
4 H MET 1 HN MET 1 -12.165 1.368 -1.171
5 HA MET 1 HA MET 1 -11.000 1.142 1.502
6 HB2 MET 1 HB1 MET 1 -9.904 -0.523 0.048
7 HB3 MET 1 HB2 MET 1 -9.437 0.781 -1.043
8 HG2 MET 1 HG1 MET 1 -7.761 -0.143 0.724
9 HG3 MET 1 HG2 MET 1 -7.826 1.588 0.364
10 HE1 MET 1 HE1 MET 1 -6.526 2.081 2.640
11 HE2 MET 1 HE2 MET 1 -6.459 0.352 2.983
12 HE3 MET 1 HE3 MET 1 -7.036 1.474 4.215
13 H ASP 2 HN ASP 2 -12.270 3.200 -0.538
14 HA ASP 2 HA ASP 2 -12.036 5.470 -0.858
15 HB2 ASP 2 HB2 ASP 2 -10.583 4.867 1.656
16 HB3 ASP 2 HB1 ASP 2 -10.174 6.373 0.877
17 H TRP 3 HN TRP 3 -10.282 3.256 -1.769
18 HA TRP 3 HA TRP 3 -7.803 3.417 -2.058
19 HB2 TRP 3 HB1 TRP 3 -9.864 2.787 -3.958
20 HB3 TRP 3 HB2 TRP 3 -8.244 2.984 -4.603
21 HD1 TRP 3 HD1 TRP 3 -9.954 0.326 -4.139
22 HE1 TRP 3 HE1 TRP 3 -8.807 -1.709 -3.042
23 HE3 TRP 3 HE3 TRP 3 -6.345 2.811 -1.685
24 HZ2 TRP 3 HZ2 TRP 3 -6.604 -2.114 -1.295
25 HZ3 TRP 3 HZ3 TRP 3 -4.768 1.569 -0.296
26 HH2 TRP 3 HH2 TRP 3 -4.891 -0.839 -0.107
27 H GLY 4 HN GLY 4 -6.399 4.036 -3.055
28 HA2 GLY 4 HA2 GLY 4 -5.516 5.715 -4.750
29 HA3 GLY 4 HA1 GLY 4 -6.212 6.890 -3.621
30 H THR 5 HN THR 5 -5.661 4.387 -1.842
31 HA THR 5 HA THR 5 -3.056 5.176 -0.868
32 HB THR 5 HB THR 5 -5.544 4.125 0.317
33 HG1 THR 5 HG1 THR 5 -3.468 5.804 1.322
34 HG21 THR 5 HG21 THR 5 -3.661 2.404 0.715
35 HG22 THR 5 HG22 THR 5 -4.599 2.962 2.102
36 HG23 THR 5 HG23 THR 5 -2.987 3.618 1.804
37 H LEU 6 HN LEU 6 -4.417 3.021 -2.872
38 HA LEU 6 HA LEU 6 -3.006 0.660 -2.085
39 HB2 LEU 6 HB1 LEU 6 -3.889 -0.336 -4.164
40 HB3 LEU 6 HB2 LEU 6 -5.099 0.294 -3.078
41 HG LEU 6 HG LEU 6 -4.285 1.514 -5.695
42 HD11 LEU 6 HD11 LEU 6 -6.948 0.545 -4.759
43 HD12 LEU 6 HD12 LEU 6 -5.793 -0.546 -5.550
44 HD13 LEU 6 HD13 LEU 6 -6.426 0.856 -6.423
45 HD21 LEU 6 HD21 LEU 6 -6.315 2.449 -3.706
46 HD22 LEU 6 HD22 LEU 6 -6.061 3.112 -5.330
47 HD23 LEU 6 HD23 LEU 6 -4.802 3.283 -4.108
48 H GLN 7 HN GLN 7 -2.945 2.004 -5.283
49 HA GLN 7 HA GLN 7 -0.646 1.381 -6.275
50 HB2 GLN 7 HB1 GLN 7 -0.406 4.114 -6.618
51 HB3 GLN 7 HB2 GLN 7 -1.314 3.023 -7.662
52 HG2 GLN 7 HG1 GLN 7 -2.739 4.825 -7.079
53 HG3 GLN 7 HG2 GLN 7 -3.264 3.412 -6.157
54 HE21 GLN 7 HE21 GLN 7 -2.916 3.326 -3.976
55 HE22 GLN 7 HE22 GLN 7 -2.490 4.696 -3.034
56 H THR 8 HN THR 8 -0.934 3.372 -3.419
57 HA THR 8 HA THR 8 1.940 3.786 -3.273
58 HB THR 8 HB THR 8 0.533 5.728 -2.781
59 HG1 THR 8 HG1 THR 8 2.555 4.868 -1.376
60 HG21 THR 8 HG21 THR 8 -0.968 3.817 -1.381
61 HG22 THR 8 HG22 THR 8 -1.295 5.549 -1.530
62 HG23 THR 8 HG23 THR 8 -0.349 4.944 -0.168
63 H ILE 9 HN ILE 9 -0.644 2.168 -1.624
64 HA ILE 9 HA ILE 9 1.300 0.828 0.081
65 HB ILE 9 HB ILE 9 -1.642 1.093 0.621
66 HG12 ILE 9 HG11 ILE 9 -0.494 3.244 0.868
67 HG13 ILE 9 HG12 ILE 9 -0.981 2.617 2.439
68 HG21 ILE 9 HG21 ILE 9 -0.662 -0.961 1.515
69 HG22 ILE 9 HG22 ILE 9 -1.136 0.146 2.804
70 HG23 ILE 9 HG23 ILE 9 0.563 -0.009 2.355
71 HD11 ILE 9 HD11 ILE 9 1.302 1.857 2.843
72 HD12 ILE 9 HD12 ILE 9 1.234 3.592 2.533
73 HD13 ILE 9 HD13 ILE 9 1.789 2.493 1.271
74 H LEU 10 HN LEU 10 -1.511 0.478 -1.834
75 HA LEU 10 HA LEU 10 -2.575 -1.207 -2.877
76 HB2 LEU 10 HB2 LEU 10 -0.511 -0.877 -4.165
77 HB3 LEU 10 HB1 LEU 10 0.209 -2.221 -3.301
78 HG LEU 10 HG LEU 10 -1.308 -3.777 -4.318
79 HD11 LEU 10 HD11 LEU 10 -3.229 -2.015 -4.248
80 HD12 LEU 10 HD12 LEU 10 -3.216 -3.241 -5.515
81 HD13 LEU 10 HD13 LEU 10 -2.661 -1.604 -5.866
82 HD21 LEU 10 HD21 LEU 10 -0.268 -1.748 -6.263
83 HD22 LEU 10 HD22 LEU 10 -0.853 -3.346 -6.728
84 HD23 LEU 10 HD23 LEU 10 0.568 -3.191 -5.691
85 H GLY 11 HN GLY 11 -2.878 -3.534 -3.177
86 HA2 GLY 11 HA1 GLY 11 -3.523 -4.803 -0.826
87 HA3 GLY 11 HA2 GLY 11 -3.315 -5.590 -2.383
88 H GLY 12 HN GLY 12 -0.446 -4.655 -2.421
89 HA2 GLY 12 HA2 GLY 12 0.966 -5.694 -0.242
90 HA3 GLY 12 HA1 GLY 12 0.713 -7.004 -1.382
91 H VAL 13 HN VAL 13 1.215 -3.622 -2.271
92 HA VAL 13 HA VAL 13 3.361 -4.355 -4.008
93 HB VAL 13 HB VAL 13 1.696 -2.481 -4.415
94 HG11 VAL 13 HG11 VAL 13 2.681 -1.609 -2.003
95 HG12 VAL 13 HG12 VAL 13 1.650 -0.691 -3.101
96 HG13 VAL 13 HG13 VAL 13 3.405 -0.506 -3.172
97 HG21 VAL 13 HG21 VAL 13 3.673 -2.836 -5.816
98 HG22 VAL 13 HG22 VAL 13 4.629 -1.843 -4.716
99 HG23 VAL 13 HG23 VAL 13 3.307 -1.121 -5.634
100 H ASN 14 HN ASN 14 3.480 -4.405 -0.895
101 HA ASN 14 HA ASN 14 5.615 -2.653 -0.207
102 HB2 ASN 14 HB2 ASN 14 4.619 -5.154 1.173
103 HB3 ASN 14 HB1 ASN 14 5.750 -3.997 1.868
104 HD21 ASN 14 HD21 ASN 14 1.771 -3.231 1.753
105 HD22 ASN 14 HD22 ASN 14 2.462 -4.581 0.925
106 H LYS 15 HN LYS 15 7.483 -2.842 -1.292
107 HA LYS 15 HA LYS 15 9.013 -5.277 -0.959
108 HB2 LYS 15 HB2 LYS 15 9.556 -5.464 -3.365
109 HB3 LYS 15 HB1 LYS 15 7.858 -5.773 -3.029
110 HG2 LYS 15 HG2 LYS 15 7.307 -3.500 -3.756
111 HG3 LYS 15 HG1 LYS 15 9.010 -3.213 -4.117
112 HD2 LYS 15 HD2 LYS 15 7.870 -3.766 -6.160
113 HD3 LYS 15 HD1 LYS 15 8.935 -5.104 -5.726
114 HE2 LYS 15 HE2 LYS 15 6.760 -5.911 -6.492
115 HE3 LYS 15 HE1 LYS 15 7.042 -6.328 -4.802
116 HZ1 LYS 15 HZ1 LYS 15 4.797 -5.518 -5.148
117 HZ2 LYS 15 HZ2 LYS 15 5.387 -4.059 -5.768
118 HZ3 LYS 15 HZ3 LYS 15 5.658 -4.460 -4.147
119 H HIS 16 HN HIS 16 8.777 -2.016 -0.972
120 HA HIS 16 HA HIS 16 11.484 -1.449 -1.875
121 HB2 HIS 16 HB2 HIS 16 10.896 0.911 -1.342
122 HB3 HIS 16 HB1 HIS 16 9.783 0.160 -2.482
123 HD1 HIS 16 HD1 HIS 16 7.353 -0.089 -1.771
124 HD2 HIS 16 HD2 HIS 16 9.803 1.408 1.234
125 HE1 HIS 16 HE1 HIS 16 5.794 0.705 0.036
126 HE2 HIS 16 HE2 HIS 16 7.298 1.607 1.845
127 H SER 17 HN SER 17 12.878 -0.063 -0.453
128 HA SER 17 HA SER 17 12.536 -0.592 2.403
129 HB2 SER 17 HB2 SER 17 14.872 -1.373 2.607
130 HB3 SER 17 HB1 SER 17 13.913 -2.445 1.588
131 HG SER 17 HG SER 17 15.950 -0.657 0.876
132 H THR 18 HN THR 18 14.584 0.932 -0.071
133 HA THR 18 HA THR 18 14.811 3.277 1.696
134 HB THR 18 HB THR 18 17.066 3.695 0.791
135 HG1 THR 18 HG1 THR 18 17.042 1.073 -0.276
136 HG21 THR 18 HG21 THR 18 16.842 2.477 2.898
137 HG22 THR 18 HG22 THR 18 18.232 1.895 1.984
138 HG23 THR 18 HG23 THR 18 16.741 0.954 2.017
139 H SER 19 HN SER 19 16.089 5.001 -0.005
140 HA SER 19 HA SER 19 15.679 6.523 -1.647
141 HB2 SER 19 HB2 SER 19 14.575 4.103 -3.097
142 HB3 SER 19 HB1 SER 19 14.972 5.649 -3.848
143 HG SER 19 HG SER 19 17.029 5.167 -3.770
144 H ILE 20 HN ILE 20 13.308 6.000 -3.539
145 HA ILE 20 HA ILE 20 11.253 6.927 -3.771
146 HB ILE 20 HB ILE 20 9.546 5.814 -2.649
147 HG12 ILE 20 HG12 ILE 20 11.438 5.197 -0.372
148 HG13 ILE 20 HG11 ILE 20 10.238 6.484 -0.342
149 HG21 ILE 20 HG21 ILE 20 11.887 3.940 -2.392
150 HG22 ILE 20 HG22 ILE 20 11.094 4.344 -3.917
151 HG23 ILE 20 HG23 ILE 20 10.196 3.509 -2.650
152 HD11 ILE 20 HD11 ILE 20 9.670 3.540 -0.574
153 HD12 ILE 20 HD12 ILE 20 8.461 4.825 -0.569
154 HD13 ILE 20 HD13 ILE 20 9.452 4.540 0.862
155 H GLY 21 HN GLY 21 9.286 7.781 -2.091
156 HA2 GLY 21 HA1 GLY 21 8.650 9.454 -0.628
157 HA3 GLY 21 HA2 GLY 21 10.308 9.532 -0.056
158 H LYS 22 HN LYS 22 9.076 11.867 -0.247
159 HA LYS 22 HA LYS 22 9.558 13.054 -2.853
160 HB2 LYS 22 HB2 LYS 22 8.464 14.157 -0.265
161 HB3 LYS 22 HB1 LYS 22 8.759 15.160 -1.678
162 HG2 LYS 22 HG1 LYS 22 6.467 14.623 -1.708
163 HG3 LYS 22 HG2 LYS 22 7.223 13.624 -2.952
164 HD2 LYS 22 HD2 LYS 22 7.241 11.719 -1.435
165 HD3 LYS 22 HD1 LYS 22 6.528 12.712 -0.162
166 HE2 LYS 22 HE2 LYS 22 4.539 13.054 -1.546
167 HE3 LYS 22 HE1 LYS 22 5.251 12.058 -2.814
168 HZ1 LYS 22 HZ1 LYS 22 5.250 10.181 -1.291
169 HZ2 LYS 22 HZ2 LYS 22 3.687 10.798 -1.480
170 HZ3 LYS 22 HZ3 LYS 22 4.565 11.138 -0.075
Start of MODEL 17
1 H1 ACE 0 HA1 ACE 0 -15.069 -0.109 -2.455
2 H2 ACE 0 HA2 ACE 0 -13.840 0.171 -3.686
3 H3 ACE 0 HA3 ACE 0 -14.706 1.551 -3.016
4 H MET 1 HN MET 1 -12.266 2.061 -2.806
5 HA MET 1 HA MET 1 -11.577 1.569 -0.024
6 HB2 MET 1 HB1 MET 1 -10.355 -0.138 -1.321
7 HB3 MET 1 HB2 MET 1 -9.598 1.154 -2.251
8 HG2 MET 1 HG1 MET 1 -8.354 0.051 -0.246
9 HG3 MET 1 HG2 MET 1 -8.221 1.790 -0.541
10 HE1 MET 1 HE1 MET 1 -7.467 0.372 2.235
11 HE2 MET 1 HE2 MET 1 -8.176 1.508 3.383
12 HE3 MET 1 HE3 MET 1 -7.333 2.108 1.955
13 H ASP 2 HN ASP 2 -12.290 3.778 -2.173
14 HA ASP 2 HA ASP 2 -11.834 6.029 -2.349
15 HB2 ASP 2 HB2 ASP 2 -10.922 5.243 0.361
16 HB3 ASP 2 HB1 ASP 2 -10.265 6.733 -0.265
17 H TRP 3 HN TRP 3 -10.110 3.709 -3.016
18 HA TRP 3 HA TRP 3 -7.615 3.679 -2.839
19 HB2 TRP 3 HB1 TRP 3 -9.329 3.266 -5.108
20 HB3 TRP 3 HB2 TRP 3 -7.607 3.353 -5.438
21 HD1 TRP 3 HD1 TRP 3 -9.564 0.826 -5.406
22 HE1 TRP 3 HE1 TRP 3 -8.794 -1.323 -4.202
23 HE3 TRP 3 HE3 TRP 3 -6.299 2.949 -2.231
24 HZ2 TRP 3 HZ2 TRP 3 -6.989 -1.949 -2.100
25 HZ3 TRP 3 HZ3 TRP 3 -5.105 1.547 -0.630
26 HH2 TRP 3 HH2 TRP 3 -5.437 -0.848 -0.567
27 H GLY 4 HN GLY 4 -6.008 4.209 -3.540
28 HA2 GLY 4 HA2 GLY 4 -4.706 5.858 -4.973
29 HA3 GLY 4 HA1 GLY 4 -5.509 7.054 -3.943
30 H THR 5 HN THR 5 -5.485 4.467 -2.199
31 HA THR 5 HA THR 5 -3.054 5.021 -0.732
32 HB THR 5 HB THR 5 -5.789 4.140 -0.067
33 HG1 THR 5 HG1 THR 5 -4.340 5.333 1.898
34 HG21 THR 5 HG21 THR 5 -4.145 2.264 0.598
35 HG22 THR 5 HG22 THR 5 -5.280 2.858 1.812
36 HG23 THR 5 HG23 THR 5 -3.597 3.389 1.841
37 H LEU 6 HN LEU 6 -4.174 3.034 -3.038
38 HA LEU 6 HA LEU 6 -3.109 0.550 -2.101
39 HB2 LEU 6 HB1 LEU 6 -3.663 -0.319 -4.346
40 HB3 LEU 6 HB2 LEU 6 -5.004 0.376 -3.476
41 HG LEU 6 HG LEU 6 -3.632 1.596 -5.847
42 HD11 LEU 6 HD11 LEU 6 -6.487 0.821 -5.455
43 HD12 LEU 6 HD12 LEU 6 -5.290 -0.341 -6.061
44 HD13 LEU 6 HD13 LEU 6 -5.642 1.127 -6.981
45 HD21 LEU 6 HD21 LEU 6 -5.922 2.637 -4.228
46 HD22 LEU 6 HD22 LEU 6 -5.321 3.320 -5.750
47 HD23 LEU 6 HD23 LEU 6 -4.304 3.357 -4.309
48 H GLN 7 HN GLN 7 -2.359 1.961 -5.181
49 HA GLN 7 HA GLN 7 0.034 1.189 -5.756
50 HB2 GLN 7 HB1 GLN 7 0.530 3.904 -5.940
51 HB3 GLN 7 HB2 GLN 7 -0.243 2.915 -7.176
52 HG2 GLN 7 HG1 GLN 7 -1.620 4.806 -6.794
53 HG3 GLN 7 HG2 GLN 7 -2.407 3.415 -6.040
54 HE21 GLN 7 HE21 GLN 7 -2.476 3.246 -3.836
55 HE22 GLN 7 HE22 GLN 7 -2.136 4.555 -2.780
56 H THR 8 HN THR 8 -0.635 3.122 -2.924
57 HA THR 8 HA THR 8 2.185 3.306 -2.235
58 HB THR 8 HB THR 8 0.849 5.338 -1.935
59 HG1 THR 8 HG1 THR 8 1.773 5.808 -0.008
60 HG21 THR 8 HG21 THR 8 -1.014 3.515 -0.909
61 HG22 THR 8 HG22 THR 8 -1.181 5.272 -1.034
62 HG23 THR 8 HG23 THR 8 -0.544 4.549 0.445
63 H ILE 9 HN ILE 9 -0.769 1.850 -1.158
64 HA ILE 9 HA ILE 9 0.719 0.322 0.824
65 HB ILE 9 HB ILE 9 -2.245 0.808 0.816
66 HG12 ILE 9 HG11 ILE 9 -1.000 2.844 1.376
67 HG13 ILE 9 HG12 ILE 9 -1.830 2.212 2.793
68 HG21 ILE 9 HG21 ILE 9 -0.483 -0.577 2.830
69 HG22 ILE 9 HG22 ILE 9 -1.686 -1.337 1.787
70 HG23 ILE 9 HG23 ILE 9 -2.196 -0.217 3.050
71 HD11 ILE 9 HD11 ILE 9 0.265 1.246 3.588
72 HD12 ILE 9 HD12 ILE 9 0.393 2.989 3.357
73 HD13 ILE 9 HD13 ILE 9 1.095 1.888 2.171
74 H LEU 10 HN LEU 10 -1.698 0.241 -1.595
75 HA LEU 10 HA LEU 10 -2.666 -1.336 -2.880
76 HB2 LEU 10 HB2 LEU 10 -0.367 -1.100 -3.744
77 HB3 LEU 10 HB1 LEU 10 0.079 -2.535 -2.844
78 HG LEU 10 HG LEU 10 -1.311 -3.919 -4.219
79 HD11 LEU 10 HD11 LEU 10 -3.116 -2.063 -4.382
80 HD12 LEU 10 HD12 LEU 10 -2.914 -3.179 -5.731
81 HD13 LEU 10 HD13 LEU 10 -2.228 -1.558 -5.819
82 HD21 LEU 10 HD21 LEU 10 0.183 -1.872 -5.820
83 HD22 LEU 10 HD22 LEU 10 -0.394 -3.407 -6.473
84 HD23 LEU 10 HD23 LEU 10 0.820 -3.391 -5.189
85 H GLY 11 HN GLY 11 -2.942 -3.687 -3.348
86 HA2 GLY 11 HA1 GLY 11 -4.141 -4.979 -1.247
87 HA3 GLY 11 HA2 GLY 11 -3.584 -5.748 -2.724
88 H GLY 12 HN GLY 12 -0.778 -4.836 -2.024
89 HA2 GLY 12 HA2 GLY 12 0.090 -5.908 0.386
90 HA3 GLY 12 HA1 GLY 12 0.049 -7.237 -0.761
91 H VAL 13 HN VAL 13 0.785 -3.962 -1.765
92 HA VAL 13 HA VAL 13 3.203 -4.739 -2.983
93 HB VAL 13 HB VAL 13 1.799 -2.764 -3.656
94 HG11 VAL 13 HG11 VAL 13 2.592 -1.950 -1.018
95 HG12 VAL 13 HG12 VAL 13 1.352 -1.272 -2.071
96 HG13 VAL 13 HG13 VAL 13 3.027 -0.733 -2.215
97 HG21 VAL 13 HG21 VAL 13 4.747 -2.289 -3.227
98 HG22 VAL 13 HG22 VAL 13 3.718 -1.414 -4.362
99 HG23 VAL 13 HG23 VAL 13 4.017 -3.137 -4.591
100 H ASN 14 HN ASN 14 5.365 -4.137 -2.499
101 HA ASN 14 HA ASN 14 5.935 -3.163 0.181
102 HB2 ASN 14 HB2 ASN 14 5.710 -5.600 0.474
103 HB3 ASN 14 HB1 ASN 14 6.927 -5.858 -0.771
104 HD21 ASN 14 HD21 ASN 14 8.432 -3.901 2.458
105 HD22 ASN 14 HD22 ASN 14 7.073 -3.286 1.587
106 H LYS 15 HN LYS 15 6.783 -3.747 -3.078
107 HA LYS 15 HA LYS 15 9.519 -2.796 -2.724
108 HB2 LYS 15 HB2 LYS 15 9.727 -3.247 -5.164
109 HB3 LYS 15 HB1 LYS 15 9.274 -4.660 -4.221
110 HG2 LYS 15 HG2 LYS 15 6.941 -4.358 -4.898
111 HG3 LYS 15 HG1 LYS 15 7.411 -2.955 -5.860
112 HD2 LYS 15 HD2 LYS 15 8.864 -4.376 -7.223
113 HD3 LYS 15 HD1 LYS 15 8.390 -5.779 -6.264
114 HE2 LYS 15 HE2 LYS 15 6.067 -5.473 -6.967
115 HE3 LYS 15 HE1 LYS 15 6.543 -4.074 -7.930
116 HZ1 LYS 15 HZ1 LYS 15 7.944 -5.521 -9.269
117 HZ2 LYS 15 HZ2 LYS 15 6.337 -6.051 -9.295
118 HZ3 LYS 15 HZ3 LYS 15 7.478 -6.862 -8.347
119 H HIS 16 HN HIS 16 10.084 -0.746 -2.988
120 HA HIS 16 HA HIS 16 8.526 0.983 -4.753
121 HB2 HIS 16 HB2 HIS 16 9.042 1.549 -1.831
122 HB3 HIS 16 HB1 HIS 16 8.557 2.786 -2.985
123 HD1 HIS 16 HD1 HIS 16 7.242 -0.036 -0.971
124 HD2 HIS 16 HD2 HIS 16 5.884 2.563 -3.915
125 HE1 HIS 16 HE1 HIS 16 4.738 -0.268 -0.970
126 HE2 HIS 16 HE2 HIS 16 3.937 1.314 -2.759
127 H SER 17 HN SER 17 11.127 1.328 -2.334
128 HA SER 17 HA SER 17 13.119 1.789 -4.339
129 HB2 SER 17 HB2 SER 17 12.018 3.978 -4.396
130 HB3 SER 17 HB1 SER 17 12.216 4.136 -2.651
131 HG SER 17 HG SER 17 13.929 4.807 -4.553
132 H THR 18 HN THR 18 12.535 2.887 -0.993
133 HA THR 18 HA THR 18 15.119 1.751 -0.220
134 HB THR 18 HB THR 18 14.829 3.005 1.886
135 HG1 THR 18 HG1 THR 18 12.281 3.167 1.000
136 HG21 THR 18 HG21 THR 18 14.418 4.649 -0.614
137 HG22 THR 18 HG22 THR 18 15.963 4.094 0.030
138 HG23 THR 18 HG23 THR 18 15.005 5.271 0.928
139 H SER 19 HN SER 19 14.859 1.179 2.379
140 HA SER 19 HA SER 19 13.391 -1.288 2.334
141 HB2 SER 19 HB2 SER 19 14.787 -0.040 4.693
142 HB3 SER 19 HB1 SER 19 14.404 -1.744 4.458
143 HG SER 19 HG SER 19 16.119 -1.967 3.252
144 H ILE 20 HN ILE 20 12.359 1.701 2.685
145 HA ILE 20 HA ILE 20 10.673 2.805 3.734
146 HB ILE 20 HB ILE 20 8.600 1.797 3.481
147 HG12 ILE 20 HG12 ILE 20 9.901 -0.922 3.768
148 HG13 ILE 20 HG11 ILE 20 9.008 -0.102 5.046
149 HG21 ILE 20 HG21 ILE 20 10.615 0.516 1.663
150 HG22 ILE 20 HG22 ILE 20 9.588 1.920 1.354
151 HG23 ILE 20 HG23 ILE 20 8.877 0.307 1.430
152 HD11 ILE 20 HD11 ILE 20 6.986 -0.182 3.680
153 HD12 ILE 20 HD12 ILE 20 7.643 -1.791 3.982
154 HD13 ILE 20 HD13 ILE 20 7.881 -1.021 2.413
155 H GLY 21 HN GLY 21 8.745 2.176 5.544
156 HA2 GLY 21 HA2 GLY 21 9.044 0.746 7.757
157 HA3 GLY 21 HA1 GLY 21 10.329 1.924 7.981
158 H LYS 22 HN LYS 22 6.859 1.775 7.196
159 HA LYS 22 HA LYS 22 6.453 4.030 9.037
160 HB2 LYS 22 HB2 LYS 22 4.459 4.458 7.258
161 HB3 LYS 22 HB1 LYS 22 6.019 5.264 7.195
162 HG2 LYS 22 HG2 LYS 22 5.463 4.487 5.005
163 HG3 LYS 22 HG1 LYS 22 6.805 3.521 5.619
164 HD2 LYS 22 HD2 LYS 22 5.250 1.730 6.212
165 HD3 LYS 22 HD1 LYS 22 3.902 2.698 5.612
166 HE2 LYS 22 HE2 LYS 22 6.233 1.705 3.976
167 HE3 LYS 22 HE1 LYS 22 4.607 1.023 3.973
168 HZ1 LYS 22 HZ1 LYS 22 5.324 3.782 3.136
169 HZ2 LYS 22 HZ2 LYS 22 3.766 3.125 3.131
170 HZ3 LYS 22 HZ3 LYS 22 4.949 2.501 2.096
Start of MODEL 18
1 H1 ACE 0 HA1 ACE 0 -15.511 2.769 -1.011
2 H2 ACE 0 HA2 ACE 0 -14.595 1.453 -1.743
3 H3 ACE 0 HA3 ACE 0 -14.418 3.081 -2.393
4 H MET 1 HN MET 1 -12.114 2.153 -1.899
5 HA MET 1 HA MET 1 -11.323 2.619 0.856
6 HB2 MET 1 HB1 MET 1 -10.396 0.690 -0.369
7 HB3 MET 1 HB2 MET 1 -9.641 1.809 -1.503
8 HG2 MET 1 HG1 MET 1 -8.273 0.795 0.462
9 HG3 MET 1 HG2 MET 1 -8.040 2.482 -0.013
10 HE1 MET 1 HE1 MET 1 -9.557 -0.014 2.601
11 HE2 MET 1 HE2 MET 1 -11.004 0.811 2.023
12 HE3 MET 1 HE3 MET 1 -10.448 1.062 3.677
13 H ASP 2 HN ASP 2 -12.077 4.674 -1.426
14 HA ASP 2 HA ASP 2 -11.457 6.847 -1.878
15 HB2 ASP 2 HB2 ASP 2 -10.326 6.235 0.794
16 HB3 ASP 2 HB1 ASP 2 -9.618 7.591 -0.045
17 H TRP 3 HN TRP 3 -10.016 4.321 -2.471
18 HA TRP 3 HA TRP 3 -7.529 4.073 -2.541
19 HB2 TRP 3 HB1 TRP 3 -9.507 3.614 -4.572
20 HB3 TRP 3 HB2 TRP 3 -7.830 3.507 -5.080
21 HD1 TRP 3 HD1 TRP 3 -9.974 1.189 -4.593
22 HE1 TRP 3 HE1 TRP 3 -9.257 -0.901 -3.260
23 HE3 TRP 3 HE3 TRP 3 -6.220 3.285 -1.996
24 HZ2 TRP 3 HZ2 TRP 3 -7.292 -1.495 -1.295
25 HZ3 TRP 3 HZ3 TRP 3 -4.979 1.933 -0.389
26 HH2 TRP 3 HH2 TRP 3 -5.496 -0.402 -0.047
27 H GLY 4 HN GLY 4 -5.967 4.385 -3.435
28 HA2 GLY 4 HA2 GLY 4 -4.691 5.761 -5.156
29 HA3 GLY 4 HA1 GLY 4 -5.274 7.118 -4.177
30 H THR 5 HN THR 5 -5.281 4.714 -2.189
31 HA THR 5 HA THR 5 -2.667 5.164 -1.039
32 HB THR 5 HB THR 5 -5.378 4.625 -0.013
33 HG1 THR 5 HG1 THR 5 -3.703 6.557 0.164
34 HG21 THR 5 HG21 THR 5 -3.837 2.659 0.660
35 HG22 THR 5 HG22 THR 5 -4.792 3.457 1.912
36 HG23 THR 5 HG23 THR 5 -3.075 3.830 1.736
37 H LEU 6 HN LEU 6 -4.204 3.084 -3.002
38 HA LEU 6 HA LEU 6 -3.257 0.603 -1.934
39 HB2 LEU 6 HB1 LEU 6 -4.114 -0.399 -4.023
40 HB3 LEU 6 HB2 LEU 6 -5.291 0.493 -3.100
41 HG LEU 6 HG LEU 6 -4.081 1.364 -5.701
42 HD11 LEU 6 HD11 LEU 6 -6.932 0.897 -4.951
43 HD12 LEU 6 HD12 LEU 6 -5.909 -0.416 -5.567
44 HD13 LEU 6 HD13 LEU 6 -6.237 0.997 -6.578
45 HD21 LEU 6 HD21 LEU 6 -6.088 2.758 -3.976
46 HD22 LEU 6 HD22 LEU 6 -5.592 3.245 -5.606
47 HD23 LEU 6 HD23 LEU 6 -4.431 3.310 -4.282
48 H GLN 7 HN GLN 7 -2.723 1.540 -5.232
49 HA GLN 7 HA GLN 7 -0.477 0.570 -6.004
50 HB2 GLN 7 HB1 GLN 7 0.227 3.236 -6.356
51 HB3 GLN 7 HB2 GLN 7 -0.715 2.247 -7.471
52 HG2 GLN 7 HG1 GLN 7 -1.988 4.177 -7.119
53 HG3 GLN 7 HG2 GLN 7 -2.715 2.932 -6.094
54 HE21 GLN 7 HE21 GLN 7 -2.533 3.045 -3.922
55 HE22 GLN 7 HE22 GLN 7 -1.997 4.440 -3.080
56 H THR 8 HN THR 8 -0.610 2.807 -3.297
57 HA THR 8 HA THR 8 2.272 2.694 -2.891
58 HB THR 8 HB THR 8 1.343 4.902 -2.719
59 HG1 THR 8 HG1 THR 8 1.841 5.249 -0.371
60 HG21 THR 8 HG21 THR 8 -0.765 3.458 -1.406
61 HG22 THR 8 HG22 THR 8 -0.765 5.113 -2.038
62 HG23 THR 8 HG23 THR 8 -0.217 4.800 -0.390
63 H ILE 9 HN ILE 9 -0.709 1.891 -1.307
64 HA ILE 9 HA ILE 9 0.742 0.222 0.595
65 HB ILE 9 HB ILE 9 -1.896 1.479 1.228
66 HG12 ILE 9 HG11 ILE 9 -0.278 3.288 0.834
67 HG13 ILE 9 HG12 ILE 9 -0.710 3.185 2.536
68 HG21 ILE 9 HG21 ILE 9 0.237 0.213 2.939
69 HG22 ILE 9 HG22 ILE 9 -1.359 -0.441 2.575
70 HG23 ILE 9 HG23 ILE 9 -1.205 1.010 3.565
71 HD11 ILE 9 HD11 ILE 9 1.379 2.032 3.006
72 HD12 ILE 9 HD12 ILE 9 1.667 3.592 2.235
73 HD13 ILE 9 HD13 ILE 9 1.810 2.105 1.297
74 H LEU 10 HN LEU 10 -0.312 -0.324 -1.974
75 HA LEU 10 HA LEU 10 -2.674 -1.451 -2.405
76 HB2 LEU 10 HB2 LEU 10 -0.752 -1.386 -3.947
77 HB3 LEU 10 HB1 LEU 10 -0.106 -2.799 -3.147
78 HG LEU 10 HG LEU 10 -1.887 -4.173 -3.949
79 HD11 LEU 10 HD11 LEU 10 -3.566 -2.177 -3.692
80 HD12 LEU 10 HD12 LEU 10 -3.868 -3.449 -4.871
81 HD13 LEU 10 HD13 LEU 10 -3.188 -1.907 -5.390
82 HD21 LEU 10 HD21 LEU 10 -0.882 -2.276 -6.040
83 HD22 LEU 10 HD22 LEU 10 -1.688 -3.803 -6.405
84 HD23 LEU 10 HD23 LEU 10 -0.143 -3.800 -5.550
85 H GLY 11 HN GLY 11 -3.411 -3.634 -2.543
86 HA2 GLY 11 HA1 GLY 11 -3.864 -4.871 -0.174
87 HA3 GLY 11 HA2 GLY 11 -3.914 -5.676 -1.733
88 H GLY 12 HN GLY 12 -0.979 -5.150 -2.119
89 HA2 GLY 12 HA2 GLY 12 0.356 -6.552 -0.003
90 HA3 GLY 12 HA1 GLY 12 0.054 -7.581 -1.393
91 H VAL 13 HN VAL 13 0.694 -4.166 -1.803
92 HA VAL 13 HA VAL 13 2.852 -4.657 -3.549
93 HB VAL 13 HB VAL 13 1.491 -2.626 -3.717
94 HG11 VAL 13 HG11 VAL 13 1.755 -2.502 -1.046
95 HG12 VAL 13 HG12 VAL 13 1.224 -1.150 -2.046
96 HG13 VAL 13 HG13 VAL 13 2.912 -1.267 -1.537
97 HG21 VAL 13 HG21 VAL 13 3.712 -2.633 -4.721
98 HG22 VAL 13 HG22 VAL 13 4.414 -2.080 -3.200
99 HG23 VAL 13 HG23 VAL 13 3.314 -1.032 -4.096
100 H ASN 14 HN ASN 14 5.064 -4.409 -3.310
101 HA ASN 14 HA ASN 14 6.059 -3.980 -0.583
102 HB2 ASN 14 HB1 ASN 14 7.707 -5.815 -0.923
103 HB3 ASN 14 HB2 ASN 14 6.040 -6.380 -0.879
104 HD21 ASN 14 HD21 ASN 14 8.051 -7.859 -3.715
105 HD22 ASN 14 HD22 ASN 14 8.420 -7.601 -2.048
106 H LYS 15 HN LYS 15 6.736 -1.912 -1.150
107 HA LYS 15 HA LYS 15 9.198 -1.856 -2.728
108 HB2 LYS 15 HB1 LYS 15 6.875 0.031 -3.148
109 HB3 LYS 15 HB2 LYS 15 8.476 0.250 -3.839
110 HG2 LYS 15 HG1 LYS 15 8.231 -1.848 -5.071
111 HG3 LYS 15 HG2 LYS 15 6.617 -2.055 -4.386
112 HD2 LYS 15 HD1 LYS 15 5.894 0.021 -5.452
113 HD3 LYS 15 HD2 LYS 15 7.509 0.242 -6.128
114 HE2 LYS 15 HE1 LYS 15 5.991 -0.690 -7.790
115 HE3 LYS 15 HE2 LYS 15 7.269 -1.836 -7.389
116 HZ1 LYS 15 HZ1 LYS 15 5.723 -2.987 -5.926
117 HZ2 LYS 15 HZ2 LYS 15 5.126 -2.928 -7.507
118 HZ3 LYS 15 HZ3 LYS 15 4.496 -1.892 -6.327
119 H HIS 16 HN HIS 16 7.569 -1.112 0.047
120 HA HIS 16 HA HIS 16 9.108 1.300 0.639
121 HB2 HIS 16 HB2 HIS 16 7.743 1.388 2.708
122 HB3 HIS 16 HB1 HIS 16 6.760 1.369 1.247
123 HD1 HIS 16 HD1 HIS 16 5.107 -0.515 0.983
124 HD2 HIS 16 HD2 HIS 16 7.700 -1.079 4.182
125 HE1 HIS 16 HE1 HIS 16 4.196 -2.489 2.248
126 HE2 HIS 16 HE2 HIS 16 5.780 -2.813 4.180
127 H SER 17 HN SER 17 10.497 1.462 2.428
128 HA SER 17 HA SER 17 11.282 -1.045 3.727
129 HB2 SER 17 HB1 SER 17 13.213 0.865 2.389
130 HB3 SER 17 HB2 SER 17 13.672 -0.526 3.370
131 HG SER 17 HG SER 17 13.378 -0.603 0.861
132 H THR 18 HN THR 18 10.798 -0.596 5.780
133 HA THR 18 HA THR 18 10.669 0.448 7.797
134 HB THR 18 HB THR 18 12.695 1.480 8.636
135 HG1 THR 18 HG1 THR 18 13.962 1.290 6.136
136 HG21 THR 18 HG21 THR 18 12.691 -0.958 8.413
137 HG22 THR 18 HG22 THR 18 14.308 -0.301 8.159
138 HG23 THR 18 HG23 THR 18 13.339 -0.813 6.779
139 H SER 19 HN SER 19 11.407 2.859 8.807
140 HA SER 19 HA SER 19 10.662 5.004 9.001
141 HB2 SER 19 HB2 SER 19 11.045 4.976 5.997
142 HB3 SER 19 HB1 SER 19 10.860 6.423 6.987
143 HG SER 19 HG SER 19 12.768 5.195 8.153
144 H ILE 20 HN ILE 20 9.202 6.156 6.496
145 HA ILE 20 HA ILE 20 7.043 6.704 6.074
146 HB ILE 20 HB ILE 20 5.779 5.017 5.066
147 HG12 ILE 20 HG12 ILE 20 7.329 2.939 6.628
148 HG13 ILE 20 HG11 ILE 20 5.701 3.477 7.028
149 HG21 ILE 20 HG21 ILE 20 8.621 4.046 4.881
150 HG22 ILE 20 HG22 ILE 20 7.985 5.457 4.035
151 HG23 ILE 20 HG23 ILE 20 7.350 3.853 3.673
152 HD11 ILE 20 HD11 ILE 20 4.908 2.636 4.868
153 HD12 ILE 20 HD12 ILE 20 5.634 1.370 5.857
154 HD13 ILE 20 HD13 ILE 20 6.537 2.062 4.510
155 H GLY 21 HN GLY 21 7.749 6.245 8.965
156 HA2 GLY 21 HA1 GLY 21 5.421 6.943 10.190
157 HA3 GLY 21 HA2 GLY 21 5.357 5.187 10.172
158 H LYS 22 HN LYS 22 7.301 4.066 11.088
159 HA LYS 22 HA LYS 22 9.009 5.483 12.874
160 HB2 LYS 22 HB1 LYS 22 8.085 4.342 14.953
161 HB3 LYS 22 HB2 LYS 22 7.156 5.693 14.319
162 HG2 LYS 22 HG2 LYS 22 5.705 4.007 13.145
163 HG3 LYS 22 HG1 LYS 22 6.542 2.762 14.075
164 HD2 LYS 22 HD1 LYS 22 5.856 3.897 16.156
165 HD3 LYS 22 HD2 LYS 22 4.957 5.071 15.192
166 HE2 LYS 22 HE2 LYS 22 3.566 3.273 14.295
167 HE3 LYS 22 HE1 LYS 22 4.464 2.097 15.256
168 HZ1 LYS 22 HZ1 LYS 22 3.698 3.197 17.261
169 HZ2 LYS 22 HZ2 LYS 22 2.381 2.712 16.316
170 HZ3 LYS 22 HZ3 LYS 22 2.847 4.337 16.346
Start of MODEL 19
1 H1 ACE 0 HA1 ACE 0 -13.926 1.984 -4.294
2 H2 ACE 0 HA2 ACE 0 -13.971 0.391 -3.543
3 H3 ACE 0 HA3 ACE 0 -13.024 0.615 -5.011
4 H MET 1 HN MET 1 -13.077 0.835 -1.604
5 HA MET 1 HA MET 1 -11.488 1.303 -0.051
6 HB2 MET 1 HB1 MET 1 -10.234 -0.381 -1.365
7 HB3 MET 1 HB2 MET 1 -9.531 0.935 -2.304
8 HG2 MET 1 HG1 MET 1 -8.231 -0.109 -0.307
9 HG3 MET 1 HG2 MET 1 -8.177 1.635 -0.595
10 HE1 MET 1 HE1 MET 1 -11.081 -0.584 0.954
11 HE2 MET 1 HE2 MET 1 -10.704 -0.453 2.673
12 HE3 MET 1 HE3 MET 1 -9.594 -1.290 1.588
13 H ASP 2 HN ASP 2 -12.312 3.441 -2.268
14 HA ASP 2 HA ASP 2 -11.935 5.702 -2.494
15 HB2 ASP 2 HB2 ASP 2 -11.009 5.010 0.237
16 HB3 ASP 2 HB1 ASP 2 -10.407 6.508 -0.420
17 H TRP 3 HN TRP 3 -10.112 3.430 -3.096
18 HA TRP 3 HA TRP 3 -7.621 3.504 -2.906
19 HB2 TRP 3 HB1 TRP 3 -9.301 2.978 -5.177
20 HB3 TRP 3 HB2 TRP 3 -7.583 3.130 -5.500
21 HD1 TRP 3 HD1 TRP 3 -9.435 0.527 -5.429
22 HE1 TRP 3 HE1 TRP 3 -8.579 -1.567 -4.184
23 HE3 TRP 3 HE3 TRP 3 -6.276 2.841 -2.282
24 HZ2 TRP 3 HZ2 TRP 3 -6.759 -2.079 -2.064
25 HZ3 TRP 3 HZ3 TRP 3 -5.031 1.520 -0.652
26 HH2 TRP 3 HH2 TRP 3 -5.260 -0.883 -0.545
27 H GLY 4 HN GLY 4 -6.032 4.086 -3.596
28 HA2 GLY 4 HA2 GLY 4 -4.783 5.757 -5.054
29 HA3 GLY 4 HA1 GLY 4 -5.643 6.940 -4.053
30 H THR 5 HN THR 5 -5.521 4.381 -2.266
31 HA THR 5 HA THR 5 -3.128 5.062 -0.793
32 HB THR 5 HB THR 5 -5.832 4.097 -0.127
33 HG1 THR 5 HG1 THR 5 -4.859 5.332 1.896
34 HG21 THR 5 HG21 THR 5 -4.124 2.288 0.573
35 HG22 THR 5 HG22 THR 5 -5.298 2.850 1.764
36 HG23 THR 5 HG23 THR 5 -3.637 3.446 1.811
37 H LEU 6 HN LEU 6 -4.150 2.991 -3.069
38 HA LEU 6 HA LEU 6 -2.991 0.561 -2.092
39 HB2 LEU 6 HB1 LEU 6 -3.500 -0.354 -4.328
40 HB3 LEU 6 HB2 LEU 6 -4.871 0.299 -3.474
41 HG LEU 6 HG LEU 6 -3.539 1.538 -5.857
42 HD11 LEU 6 HD11 LEU 6 -6.361 0.652 -5.464
43 HD12 LEU 6 HD12 LEU 6 -5.115 -0.465 -6.054
44 HD13 LEU 6 HD13 LEU 6 -5.525 0.977 -6.990
45 HD21 LEU 6 HD21 LEU 6 -5.879 2.512 -4.269
46 HD22 LEU 6 HD22 LEU 6 -5.287 3.199 -5.792
47 HD23 LEU 6 HD23 LEU 6 -4.289 3.292 -4.343
48 H GLN 7 HN GLN 7 -2.281 1.885 -5.221
49 HA GLN 7 HA GLN 7 0.141 1.258 -5.829
50 HB2 GLN 7 HB1 GLN 7 0.507 4.013 -5.905
51 HB3 GLN 7 HB2 GLN 7 -0.181 3.013 -7.184
52 HG2 GLN 7 HG1 GLN 7 -1.730 4.729 -6.825
53 HG3 GLN 7 HG2 GLN 7 -2.378 3.315 -5.984
54 HE21 GLN 7 HE21 GLN 7 -2.420 3.248 -3.801
55 HE22 GLN 7 HE22 GLN 7 -2.165 4.617 -2.800
56 H THR 8 HN THR 8 -0.565 3.169 -2.976
57 HA THR 8 HA THR 8 2.254 3.394 -2.269
58 HB THR 8 HB THR 8 1.020 5.451 -2.069
59 HG1 THR 8 HG1 THR 8 1.275 5.709 0.314
60 HG21 THR 8 HG21 THR 8 -0.987 3.657 -1.071
61 HG22 THR 8 HG22 THR 8 -1.147 5.347 -1.581
62 HG23 THR 8 HG23 THR 8 -0.712 4.967 0.088
63 H ILE 9 HN ILE 9 -0.743 2.089 -1.107
64 HA ILE 9 HA ILE 9 0.705 0.447 0.818
65 HB ILE 9 HB ILE 9 -2.055 1.469 1.353
66 HG12 ILE 9 HG11 ILE 9 -0.496 3.387 1.200
67 HG13 ILE 9 HG12 ILE 9 -1.109 3.159 2.833
68 HG21 ILE 9 HG21 ILE 9 -1.490 -0.510 2.594
69 HG22 ILE 9 HG22 ILE 9 -1.487 0.866 3.695
70 HG23 ILE 9 HG23 ILE 9 0.038 0.201 3.111
71 HD11 ILE 9 HD11 ILE 9 0.973 2.115 3.494
72 HD12 ILE 9 HD12 ILE 9 1.269 3.710 2.802
73 HD13 ILE 9 HD13 ILE 9 1.588 2.262 1.848
74 H LEU 10 HN LEU 10 -0.117 -0.017 -1.831
75 HA LEU 10 HA LEU 10 -2.324 -1.262 -2.551
76 HB2 LEU 10 HB2 LEU 10 -0.338 -1.057 -3.917
77 HB3 LEU 10 HB1 LEU 10 0.417 -2.368 -3.041
78 HG LEU 10 HG LEU 10 -1.116 -3.964 -3.959
79 HD11 LEU 10 HD11 LEU 10 -2.971 -1.976 -3.991
80 HD12 LEU 10 HD12 LEU 10 -3.140 -3.512 -4.840
81 HD13 LEU 10 HD13 LEU 10 -2.559 -2.087 -5.702
82 HD21 LEU 10 HD21 LEU 10 -0.150 -1.984 -5.991
83 HD22 LEU 10 HD22 LEU 10 -0.745 -3.596 -6.398
84 HD23 LEU 10 HD23 LEU 10 0.707 -3.411 -5.408
85 H GLY 11 HN GLY 11 -3.161 -3.310 -2.671
86 HA2 GLY 11 HA1 GLY 11 -3.621 -4.694 -0.389
87 HA3 GLY 11 HA2 GLY 11 -3.701 -5.396 -1.999
88 H GLY 12 HN GLY 12 -1.054 -5.365 -2.748
89 HA2 GLY 12 HA2 GLY 12 0.171 -7.164 -0.752
90 HA3 GLY 12 HA1 GLY 12 0.295 -7.421 -2.486
91 H VAL 13 HN VAL 13 0.449 -4.180 -1.435
92 HA VAL 13 HA VAL 13 2.692 -3.365 -2.575
93 HB VAL 13 HB VAL 13 0.971 -2.226 -0.843
94 HG11 VAL 13 HG21 VAL 13 2.167 -3.104 1.129
95 HG12 VAL 13 HG22 VAL 13 2.160 -1.342 1.071
96 HG13 VAL 13 HG23 VAL 13 3.612 -2.233 0.617
97 HG21 VAL 13 HG11 VAL 13 2.567 -1.386 -2.678
98 HG22 VAL 13 HG12 VAL 13 3.595 -0.903 -1.329
99 HG23 VAL 13 HG13 VAL 13 1.958 -0.254 -1.472
100 H ASN 14 HN ASN 14 4.847 -3.339 -2.296
101 HA ASN 14 HA ASN 14 6.233 -3.964 0.039
102 HB2 ASN 14 HB1 ASN 14 5.283 -6.236 -0.376
103 HB3 ASN 14 HB2 ASN 14 6.142 -6.274 -1.912
104 HD21 ASN 14 HD21 ASN 14 8.083 -6.916 1.594
105 HD22 ASN 14 HD22 ASN 14 6.460 -6.325 1.553
106 H LYS 15 HN LYS 15 6.025 -2.763 -2.926
107 HA LYS 15 HA LYS 15 8.526 -3.265 -4.120
108 HB2 LYS 15 HB1 LYS 15 6.736 -0.841 -4.369
109 HB3 LYS 15 HB2 LYS 15 8.077 -1.224 -5.440
110 HG2 LYS 15 HG2 LYS 15 5.639 -2.947 -5.048
111 HG3 LYS 15 HG1 LYS 15 5.885 -1.822 -6.385
112 HD2 LYS 15 HD1 LYS 15 7.863 -3.075 -7.084
113 HD3 LYS 15 HD2 LYS 15 7.635 -4.194 -5.738
114 HE2 LYS 15 HE1 LYS 15 6.778 -5.138 -7.815
115 HE3 LYS 15 HE2 LYS 15 5.477 -4.869 -6.655
116 HZ1 LYS 15 HZ1 LYS 15 6.151 -3.095 -8.940
117 HZ2 LYS 15 HZ2 LYS 15 4.907 -2.833 -7.826
118 HZ3 LYS 15 HZ3 LYS 15 4.840 -4.161 -8.870
119 H HIS 16 HN HIS 16 7.789 -1.628 -1.292
120 HA HIS 16 HA HIS 16 9.629 0.507 -1.342
121 HB2 HIS 16 HB1 HIS 16 8.628 -1.070 1.037
122 HB3 HIS 16 HB2 HIS 16 9.402 0.510 1.102
123 HD1 HIS 16 HD1 HIS 16 6.146 -1.084 0.804
124 HD2 HIS 16 HD2 HIS 16 7.801 2.598 -0.184
125 HE1 HIS 16 HE1 HIS 16 4.192 0.455 0.438
126 HE2 HIS 16 HE2 HIS 16 5.216 2.678 -0.156
127 H SER 17 HN SER 17 11.485 0.542 0.369
128 HA SER 17 HA SER 17 13.526 -1.134 -0.557
129 HB2 SER 17 HB2 SER 17 14.855 -0.237 1.340
130 HB3 SER 17 HB1 SER 17 14.009 1.030 0.451
131 HG SER 17 HG SER 17 13.841 1.194 2.771
132 H THR 18 HN THR 18 12.106 -1.115 2.720
133 HA THR 18 HA THR 18 12.174 -4.026 2.760
134 HB THR 18 HB THR 18 13.562 -2.401 4.902
135 HG1 THR 18 HG1 THR 18 14.761 -4.265 3.125
136 HG21 THR 18 HG21 THR 18 12.453 -4.438 5.734
137 HG22 THR 18 HG22 THR 18 14.211 -4.559 5.826
138 HG23 THR 18 HG23 THR 18 13.335 -5.392 4.541
139 H SER 19 HN SER 19 11.910 -1.583 5.335
140 HA SER 19 HA SER 19 9.594 -2.809 6.428
141 HB2 SER 19 HB2 SER 19 9.481 -0.799 7.881
142 HB3 SER 19 HB1 SER 19 11.087 -1.533 7.862
143 HG SER 19 HG SER 19 11.568 0.522 7.500
144 H ILE 20 HN ILE 20 7.521 -1.635 6.764
145 HA ILE 20 HA ILE 20 6.808 0.190 4.601
146 HB ILE 20 HB ILE 20 4.751 -1.160 4.149
147 HG12 ILE 20 HG11 ILE 20 6.251 -3.392 5.519
148 HG13 ILE 20 HG12 ILE 20 4.959 -2.484 6.300
149 HG21 ILE 20 HG21 ILE 20 7.437 -2.385 3.542
150 HG22 ILE 20 HG22 ILE 20 6.560 -1.198 2.574
151 HG23 ILE 20 HG23 ILE 20 5.932 -2.839 2.736
152 HD11 ILE 20 HD11 ILE 20 3.444 -3.203 4.463
153 HD12 ILE 20 HD12 ILE 20 4.056 -4.522 5.460
154 HD13 ILE 20 HD13 ILE 20 4.744 -4.231 3.862
155 H GLY 21 HN GLY 21 4.664 1.173 4.918
156 HA2 GLY 21 HA2 GLY 21 2.852 1.852 6.247
157 HA3 GLY 21 HA1 GLY 21 3.527 0.947 7.593
158 H LYS 22 HN LYS 22 3.160 3.999 6.166
159 HA LYS 22 HA LYS 22 5.306 5.200 7.745
160 HB2 LYS 22 HB2 LYS 22 3.472 6.292 5.614
161 HB3 LYS 22 HB1 LYS 22 4.527 7.324 6.568
162 HG2 LYS 22 HG1 LYS 22 5.641 6.897 4.528
163 HG3 LYS 22 HG2 LYS 22 6.456 5.936 5.763
164 HD2 LYS 22 HD2 LYS 22 6.184 4.606 3.772
165 HD3 LYS 22 HD1 LYS 22 5.141 3.967 5.044
166 HE2 LYS 22 HE1 LYS 22 3.977 4.025 2.901
167 HE3 LYS 22 HE2 LYS 22 3.225 5.118 4.063
168 HZ1 LYS 22 HZ1 LYS 22 3.421 6.151 1.897
169 HZ2 LYS 22 HZ2 LYS 22 5.095 5.913 1.897
170 HZ3 LYS 22 HZ3 LYS 22 4.393 6.964 3.020
Start of MODEL 20
1 H1 ACE 0 HA1 ACE 0 -13.668 -0.411 -3.795
2 H2 ACE 0 HA2 ACE 0 -14.196 1.263 -3.640
3 H3 ACE 0 HA3 ACE 0 -15.032 0.016 -2.716
4 H MET 1 HN MET 1 -12.112 1.910 -3.012
5 HA MET 1 HA MET 1 -11.582 1.486 -0.187
6 HB2 MET 1 HB1 MET 1 -10.227 -0.210 -1.365
7 HB3 MET 1 HB2 MET 1 -9.445 1.091 -2.265
8 HG2 MET 1 HG2 MET 1 -7.997 1.422 -0.628
9 HG3 MET 1 HG1 MET 1 -9.307 1.655 0.533
10 HE1 MET 1 HE1 MET 1 -10.449 -0.283 1.912
11 HE2 MET 1 HE2 MET 1 -9.992 -1.982 1.790
12 HE3 MET 1 HE3 MET 1 -10.786 -1.182 0.432
13 H ASP 2 HN ASP 2 -12.239 3.636 -2.379
14 HA ASP 2 HA ASP 2 -11.837 5.896 -2.573
15 HB2 ASP 2 HB2 ASP 2 -10.969 5.173 0.167
16 HB3 ASP 2 HB1 ASP 2 -10.313 6.658 -0.472
17 H TRP 3 HN TRP 3 -10.058 3.593 -3.160
18 HA TRP 3 HA TRP 3 -7.571 3.605 -2.941
19 HB2 TRP 3 HB1 TRP 3 -9.238 3.128 -5.231
20 HB3 TRP 3 HB2 TRP 3 -7.512 3.238 -5.536
21 HD1 TRP 3 HD1 TRP 3 -9.424 0.676 -5.492
22 HE1 TRP 3 HE1 TRP 3 -8.635 -1.436 -4.237
23 HE3 TRP 3 HE3 TRP 3 -6.248 2.913 -2.307
24 HZ2 TRP 3 HZ2 TRP 3 -6.850 -1.993 -2.101
25 HZ3 TRP 3 HZ3 TRP 3 -5.050 1.560 -0.667
26 HH2 TRP 3 HH2 TRP 3 -5.338 -0.836 -0.566
27 H GLY 4 HN GLY 4 -5.959 4.148 -3.612
28 HA2 GLY 4 HA2 GLY 4 -4.651 5.792 -5.049
29 HA3 GLY 4 HA1 GLY 4 -5.492 6.993 -4.053
30 H THR 5 HN THR 5 -5.454 4.423 -2.273
31 HA THR 5 HA THR 5 -3.060 5.040 -0.772
32 HB THR 5 HB THR 5 -5.796 4.145 -0.136
33 HG1 THR 5 HG1 THR 5 -5.595 5.703 1.346
34 HG21 THR 5 HG21 THR 5 -4.135 2.291 0.574
35 HG22 THR 5 HG22 THR 5 -5.315 2.872 1.750
36 HG23 THR 5 HG23 THR 5 -3.642 3.432 1.827
37 H LEU 6 HN LEU 6 -4.108 3.002 -3.066
38 HA LEU 6 HA LEU 6 -3.017 0.543 -2.084
39 HB2 LEU 6 HB1 LEU 6 -3.526 -0.354 -4.326
40 HB3 LEU 6 HB2 LEU 6 -4.889 0.334 -3.488
41 HG LEU 6 HG LEU 6 -3.498 1.539 -5.854
42 HD11 LEU 6 HD11 LEU 6 -6.347 0.731 -5.490
43 HD12 LEU 6 HD12 LEU 6 -5.126 -0.420 -6.067
44 HD13 LEU 6 HD13 LEU 6 -5.486 1.033 -7.009
45 HD21 LEU 6 HD21 LEU 6 -5.826 2.575 -4.291
46 HD22 LEU 6 HD22 LEU 6 -5.199 3.248 -5.806
47 HD23 LEU 6 HD23 LEU 6 -4.215 3.311 -4.344
48 H GLN 7 HN GLN 7 -2.238 1.852 -5.203
49 HA GLN 7 HA GLN 7 0.174 1.177 -5.782
50 HB2 GLN 7 HB1 GLN 7 0.606 3.923 -5.839
51 HB3 GLN 7 HB2 GLN 7 -0.087 2.946 -7.132
52 HG2 GLN 7 HG1 GLN 7 -1.602 4.694 -6.786
53 HG3 GLN 7 HG2 GLN 7 -2.293 3.293 -5.957
54 HE21 GLN 7 HE21 GLN 7 -2.362 3.222 -3.774
55 HE22 GLN 7 HE22 GLN 7 -2.087 4.583 -2.768
56 H THR 8 HN THR 8 -0.517 3.106 -2.933
57 HA THR 8 HA THR 8 2.297 3.255 -2.191
58 HB THR 8 HB THR 8 1.117 5.339 -1.984
59 HG1 THR 8 HG1 THR 8 1.469 4.214 0.614
60 HG21 THR 8 HG21 THR 8 -0.952 3.587 -1.034
61 HG22 THR 8 HG22 THR 8 -1.064 5.282 -1.543
62 HG23 THR 8 HG23 THR 8 -0.667 4.889 0.133
63 H ILE 9 HN ILE 9 -0.743 2.022 -1.062
64 HA ILE 9 HA ILE 9 0.649 0.339 0.873
65 HB ILE 9 HB ILE 9 -2.119 1.371 1.346
66 HG12 ILE 9 HG11 ILE 9 -0.573 3.292 1.237
67 HG13 ILE 9 HG12 ILE 9 -1.192 3.048 2.865
68 HG21 ILE 9 HG21 ILE 9 -1.598 -0.605 2.599
69 HG22 ILE 9 HG22 ILE 9 -1.587 0.767 3.705
70 HG23 ILE 9 HG23 ILE 9 -0.065 0.083 3.136
71 HD11 ILE 9 HD11 ILE 9 1.513 2.172 1.884
72 HD12 ILE 9 HD12 ILE 9 0.891 2.005 3.526
73 HD13 ILE 9 HD13 ILE 9 1.183 3.608 2.852
74 H LEU 10 HN LEU 10 -0.119 -0.094 -1.805
75 HA LEU 10 HA LEU 10 -2.327 -1.321 -2.572
76 HB2 LEU 10 HB2 LEU 10 -0.305 -1.089 -3.899
77 HB3 LEU 10 HB1 LEU 10 0.412 -2.439 -3.050
78 HG LEU 10 HG LEU 10 -1.146 -3.976 -4.032
79 HD11 LEU 10 HD11 LEU 10 -2.978 -2.013 -4.019
80 HD12 LEU 10 HD12 LEU 10 -3.114 -3.447 -5.036
81 HD13 LEU 10 HD13 LEU 10 -2.490 -1.943 -5.711
82 HD21 LEU 10 HD21 LEU 10 -0.085 -1.975 -5.994
83 HD22 LEU 10 HD22 LEU 10 -0.709 -3.561 -6.452
84 HD23 LEU 10 HD23 LEU 10 0.723 -3.434 -5.425
85 H GLY 11 HN GLY 11 -3.114 -3.402 -2.776
86 HA2 GLY 11 HA1 GLY 11 -3.624 -4.819 -0.519
87 HA3 GLY 11 HA2 GLY 11 -3.653 -5.498 -2.139
88 H GLY 12 HN GLY 12 -0.947 -5.352 -2.776
89 HA2 GLY 12 HA2 GLY 12 0.235 -7.185 -0.786
90 HA3 GLY 12 HA1 GLY 12 0.414 -7.416 -2.518
91 H VAL 13 HN VAL 13 0.471 -4.184 -1.472
92 HA VAL 13 HA VAL 13 2.750 -3.338 -2.521
93 HB VAL 13 HB VAL 13 0.924 -2.250 -0.811
94 HG11 VAL 13 HG21 VAL 13 3.599 -2.043 0.574
95 HG12 VAL 13 HG22 VAL 13 2.225 -2.980 1.161
96 HG13 VAL 13 HG23 VAL 13 2.106 -1.225 1.036
97 HG21 VAL 13 HG11 VAL 13 2.531 -1.432 -2.706
98 HG22 VAL 13 HG12 VAL 13 3.411 -0.733 -1.347
99 HG23 VAL 13 HG13 VAL 13 1.723 -0.294 -1.632
100 H ASN 14 HN ASN 14 4.885 -3.197 -2.098
101 HA ASN 14 HA ASN 14 6.144 -3.813 0.310
102 HB2 ASN 14 HB1 ASN 14 5.360 -6.111 -0.165
103 HB3 ASN 14 HB2 ASN 14 6.228 -6.076 -1.696
104 HD21 ASN 14 HD21 ASN 14 8.733 -5.768 1.492
105 HD22 ASN 14 HD22 ASN 14 7.433 -4.655 1.260
106 H LYS 15 HN LYS 15 6.115 -3.060 -2.972
107 HA LYS 15 HA LYS 15 8.906 -2.199 -2.831
108 HB2 LYS 15 HB2 LYS 15 9.353 -3.018 -5.106
109 HB3 LYS 15 HB1 LYS 15 8.984 -4.334 -4.001
110 HG2 LYS 15 HG1 LYS 15 6.744 -4.502 -4.883
111 HG3 LYS 15 HG2 LYS 15 7.023 -3.104 -5.924
112 HD2 LYS 15 HD2 LYS 15 8.778 -4.333 -7.105
113 HD3 LYS 15 HD1 LYS 15 8.502 -5.731 -6.062
114 HE2 LYS 15 HE2 LYS 15 7.392 -5.986 -8.229
115 HE3 LYS 15 HE1 LYS 15 6.231 -5.935 -6.903
116 HZ1 LYS 15 HZ1 LYS 15 6.913 -3.659 -8.685
117 HZ2 LYS 15 HZ2 LYS 15 5.794 -3.617 -7.418
118 HZ3 LYS 15 HZ3 LYS 15 5.503 -4.590 -8.770
119 H HIS 16 HN HIS 16 9.421 -0.439 -4.195
120 HA HIS 16 HA HIS 16 7.181 0.822 -5.602
121 HB2 HIS 16 HB1 HIS 16 8.962 2.310 -3.664
122 HB3 HIS 16 HB2 HIS 16 7.614 2.977 -4.579
123 HD1 HIS 16 HD1 HIS 16 5.192 1.992 -3.901
124 HD2 HIS 16 HD2 HIS 16 8.292 1.302 -1.221
125 HE1 HIS 16 HE1 HIS 16 4.081 1.356 -1.737
126 HE2 HIS 16 HE2 HIS 16 5.975 0.946 -0.127
127 H SER 17 HN SER 17 7.736 1.867 -7.445
128 HA SER 17 HA SER 17 10.404 1.476 -8.443
129 HB2 SER 17 HB2 SER 17 8.474 1.180 -9.924
130 HB3 SER 17 HB1 SER 17 8.020 2.867 -9.689
131 HG SER 17 HG SER 17 9.234 3.159 -11.385
132 H THR 18 HN THR 18 8.959 3.838 -6.586
133 HA THR 18 HA THR 18 11.063 5.764 -7.294
134 HB THR 18 HB THR 18 9.491 7.628 -6.857
135 HG1 THR 18 HG1 THR 18 7.906 6.584 -5.645
136 HG21 THR 18 HG21 THR 18 8.701 5.727 -9.064
137 HG22 THR 18 HG22 THR 18 9.917 7.001 -9.151
138 HG23 THR 18 HG23 THR 18 8.213 7.419 -8.973
139 H SER 19 HN SER 19 12.321 6.122 -5.602
140 HA SER 19 HA SER 19 11.818 5.195 -3.019
141 HB2 SER 19 HB1 SER 19 13.698 7.385 -3.926
142 HB3 SER 19 HB2 SER 19 13.713 6.643 -2.327
143 HG SER 19 HG SER 19 15.033 5.812 -4.365
144 H ILE 20 HN ILE 20 11.139 6.179 -1.133
145 HA ILE 20 HA ILE 20 10.125 8.911 -1.281
146 HB ILE 20 HB ILE 20 7.979 8.197 -0.260
147 HG12 ILE 20 HG12 ILE 20 8.965 5.431 -0.992
148 HG13 ILE 20 HG11 ILE 20 8.733 6.042 0.643
149 HG21 ILE 20 HG21 ILE 20 8.701 7.156 -2.992
150 HG22 ILE 20 HG22 ILE 20 7.960 8.705 -2.579
151 HG23 ILE 20 HG23 ILE 20 7.043 7.212 -2.386
152 HD11 ILE 20 HD11 ILE 20 6.910 4.590 -0.007
153 HD12 ILE 20 HD12 ILE 20 6.568 5.614 -1.402
154 HD13 ILE 20 HD13 ILE 20 6.336 6.240 0.230
155 H GLY 21 HN GLY 21 12.253 7.268 0.155
156 HA2 GLY 21 HA1 GLY 21 11.601 8.271 2.845
157 HA3 GLY 21 HA2 GLY 21 12.188 6.625 2.650
158 H LYS 22 HN LYS 22 13.408 8.713 4.194
159 HA LYS 22 HA LYS 22 15.736 9.551 2.672
160 HB2 LYS 22 HB2 LYS 22 14.882 10.028 5.528
161 HB3 LYS 22 HB1 LYS 22 16.413 10.592 4.877
162 HG2 LYS 22 HG1 LYS 22 14.949 12.427 4.775
163 HG3 LYS 22 HG2 LYS 22 15.071 11.820 3.123
164 HD2 LYS 22 HD2 LYS 22 12.951 10.651 3.376
165 HD3 LYS 22 HD1 LYS 22 12.836 11.196 5.051
166 HE2 LYS 22 HE1 LYS 22 12.872 12.966 2.609
167 HE3 LYS 22 HE2 LYS 22 11.451 12.561 3.572
168 HZ1 LYS 22 HZ1 LYS 22 12.326 14.726 4.169
169 HZ2 LYS 22 HZ2 LYS 22 13.831 14.049 4.542
170 HZ3 LYS 22 HZ3 LYS 22 12.473 13.656 5.470