Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608967 | 5kjg RC | 30120 | 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 5.921 -0.773 -9.085
2 H2 ACE 0 HA2 ACE 0 5.993 0.981 -9.234
3 H3 ACE 0 HA3 ACE 0 5.391 0.276 -7.736
4 H MET 1 HN MET 1 7.496 2.133 -7.864
5 HA MET 1 HA MET 1 9.956 0.623 -7.535
6 HB2 MET 1 HB2 MET 1 10.025 2.796 -8.672
7 HB3 MET 1 HB1 MET 1 9.398 3.580 -7.228
8 HG2 MET 1 HG2 MET 1 11.410 2.914 -6.002
9 HG3 MET 1 HG1 MET 1 12.040 2.156 -7.464
10 HE1 MET 1 HE1 MET 1 12.528 5.245 -9.826
11 HE2 MET 1 HE2 MET 1 11.084 4.239 -9.704
12 HE3 MET 1 HE3 MET 1 12.683 3.495 -9.662
13 H ASP 2 HN ASP 2 11.053 0.325 -5.626
14 HA ASP 2 HA ASP 2 9.969 1.414 -3.156
15 HB2 ASP 2 HB2 ASP 2 10.168 -1.563 -3.657
16 HB3 ASP 2 HB1 ASP 2 9.845 -0.825 -2.091
17 H TRP 3 HN TRP 3 11.558 1.887 -1.755
18 HA TRP 3 HA TRP 3 13.637 2.075 -0.837
19 HB2 TRP 3 HB2 TRP 3 13.407 -0.309 -0.350
20 HB3 TRP 3 HB1 TRP 3 13.971 -0.704 -1.967
21 HD1 TRP 3 HD1 TRP 3 16.424 -1.490 -1.957
22 HE1 TRP 3 HE1 TRP 3 18.519 -0.984 -0.545
23 HE3 TRP 3 HE3 TRP 3 14.418 1.911 1.182
24 HZ2 TRP 3 HZ2 TRP 3 19.215 0.677 1.646
25 HZ3 TRP 3 HZ3 TRP 3 15.830 2.943 2.931
26 HH2 TRP 3 HH2 TRP 3 18.188 2.331 3.151
27 H GLY 4 HN GLY 4 15.991 2.171 -1.382
28 HA2 GLY 4 HA1 GLY 4 16.458 3.537 -3.756
29 HA3 GLY 4 HA2 GLY 4 17.697 2.792 -2.751
30 H THR 5 HN THR 5 16.092 0.210 -3.197
31 HA THR 5 HA THR 5 16.047 -0.592 -5.838
32 HB THR 5 HB THR 5 18.390 -0.214 -6.086
33 HG1 THR 5 HG1 THR 5 17.387 -2.448 -6.579
34 HG21 THR 5 HG21 THR 5 18.984 -0.088 -3.708
35 HG22 THR 5 HG22 THR 5 20.076 -1.156 -4.589
36 HG23 THR 5 HG23 THR 5 18.806 -1.837 -3.572
37 H LEU 6 HN LEU 6 14.259 -1.378 -4.410
38 HA LEU 6 HA LEU 6 14.735 -4.153 -3.661
39 HB2 LEU 6 HB1 LEU 6 15.031 -2.477 -1.676
40 HB3 LEU 6 HB2 LEU 6 13.284 -2.391 -1.721
41 HG LEU 6 HG LEU 6 13.963 -5.136 -1.654
42 HD11 LEU 6 HD21 LEU 6 15.496 -3.462 0.336
43 HD12 LEU 6 HD22 LEU 6 16.179 -4.539 -0.885
44 HD13 LEU 6 HD23 LEU 6 15.251 -5.206 0.459
45 HD21 LEU 6 HD11 LEU 6 12.890 -3.213 0.408
46 HD22 LEU 6 HD12 LEU 6 12.872 -4.970 0.577
47 HD23 LEU 6 HD13 LEU 6 11.954 -4.198 -0.716
48 H GLN 7 HN GLN 7 12.308 -4.644 -2.426
49 HA GLN 7 HA GLN 7 10.243 -3.533 -4.118
50 HB2 GLN 7 HB2 GLN 7 10.533 -5.352 -5.483
51 HB3 GLN 7 HB1 GLN 7 11.222 -6.336 -4.201
52 HG2 GLN 7 HG1 GLN 7 9.171 -7.327 -4.801
53 HG3 GLN 7 HG2 GLN 7 8.928 -6.534 -3.244
54 HE21 GLN 7 HE21 GLN 7 7.549 -4.798 -3.098
55 HE22 GLN 7 HE22 GLN 7 6.501 -4.315 -4.383
56 H THR 8 HN THR 8 10.715 -6.143 -1.704
57 HA THR 8 HA THR 8 8.196 -5.769 -0.512
58 HB THR 8 HB THR 8 9.254 -7.840 -0.046
59 HG1 THR 8 HG1 THR 8 8.234 -6.548 1.805
60 HG21 THR 8 HG21 THR 8 11.572 -7.142 -0.417
61 HG22 THR 8 HG22 THR 8 11.412 -8.038 1.093
62 HG23 THR 8 HG23 THR 8 11.563 -6.282 1.123
63 H ILE 9 HN ILE 9 7.825 -3.663 -0.188
64 HA ILE 9 HA ILE 9 8.926 -2.504 2.207
65 HB ILE 9 HB ILE 9 9.647 -1.675 -0.506
66 HG12 ILE 9 HG12 ILE 9 11.262 -2.520 1.134
67 HG13 ILE 9 HG11 ILE 9 11.672 -0.894 0.598
68 HG21 ILE 9 HG21 ILE 9 9.867 0.726 0.121
69 HG22 ILE 9 HG22 ILE 9 8.892 0.394 1.553
70 HG23 ILE 9 HG23 ILE 9 8.201 0.175 -0.055
71 HD11 ILE 9 HD11 ILE 9 10.338 -1.613 3.199
72 HD12 ILE 9 HD12 ILE 9 10.745 0.018 2.664
73 HD13 ILE 9 HD13 ILE 9 12.026 -1.152 2.984
74 H LEU 10 HN LEU 10 6.891 -2.130 -0.614
75 HA LEU 10 HA LEU 10 4.641 -1.340 0.996
76 HB2 LEU 10 HB2 LEU 10 5.445 0.823 0.877
77 HB3 LEU 10 HB1 LEU 10 6.128 0.591 -0.720
78 HG LEU 10 HG LEU 10 3.267 0.318 -0.838
79 HD11 LEU 10 HD11 LEU 10 3.325 1.720 1.180
80 HD12 LEU 10 HD12 LEU 10 2.614 2.552 -0.204
81 HD13 LEU 10 HD13 LEU 10 4.264 2.923 0.296
82 HD21 LEU 10 HD21 LEU 10 3.492 1.912 -2.589
83 HD22 LEU 10 HD22 LEU 10 4.897 0.844 -2.661
84 HD23 LEU 10 HD23 LEU 10 5.050 2.460 -1.969
85 H GLY 11 HN GLY 11 2.808 -2.063 0.086
86 HA2 GLY 11 HA2 GLY 11 2.726 -2.453 -2.822
87 HA3 GLY 11 HA1 GLY 11 2.410 -3.833 -1.782
88 H ARG 12 HN ARG 12 1.398 -0.700 -0.745
89 HA ARG 12 HA ARG 12 -0.651 0.197 -0.336
90 HB2 ARG 12 HB2 ARG 12 -0.563 0.174 -2.894
91 HB3 ARG 12 HB1 ARG 12 -1.603 -1.240 -2.809
92 HG2 ARG 12 HG1 ARG 12 -2.940 0.712 -3.207
93 HG3 ARG 12 HG2 ARG 12 -3.275 0.101 -1.586
94 HD2 ARG 12 HD2 ARG 12 -3.080 2.536 -1.597
95 HD3 ARG 12 HD1 ARG 12 -1.808 1.793 -0.629
96 HE ARG 12 HE ARG 12 -0.888 2.204 -3.262
97 HH11 ARG 12 HH11 ARG 12 -0.588 5.259 -0.690
98 HH12 ARG 12 HH12 ARG 12 -1.688 3.962 -0.361
99 HH21 ARG 12 HH21 ARG 12 0.691 5.228 -2.589
100 HH22 ARG 12 HH22 ARG 12 0.563 3.907 -3.702
101 H VAL 13 HN VAL 13 0.021 -2.626 0.518
102 HA VAL 13 HA VAL 13 -2.523 -3.982 0.608
103 HB VAL 13 HB VAL 13 -1.371 -5.634 2.022
104 HG11 VAL 13 HG11 VAL 13 0.251 -6.404 0.352
105 HG12 VAL 13 HG12 VAL 13 0.190 -4.825 -0.429
106 HG13 VAL 13 HG13 VAL 13 -1.245 -5.849 -0.399
107 HG21 VAL 13 HG21 VAL 13 0.095 -4.142 3.257
108 HG22 VAL 13 HG22 VAL 13 0.994 -3.777 1.785
109 HG23 VAL 13 HG23 VAL 13 1.035 -5.404 2.462
110 H ASN 14 HN ASN 14 -3.371 -4.753 2.757
111 HA ASN 14 HA ASN 14 -4.391 -4.282 4.731
112 HB2 ASN 14 HB2 ASN 14 -2.119 -4.445 5.621
113 HB3 ASN 14 HB1 ASN 14 -1.836 -2.748 5.247
114 HD21 ASN 14 HD21 ASN 14 -1.403 -2.224 7.371
115 HD22 ASN 14 HD22 ASN 14 -2.635 -2.155 8.580
116 H LYS 15 HN LYS 15 -6.140 -3.093 4.118
117 HA LYS 15 HA LYS 15 -6.112 -0.302 4.802
118 HB2 LYS 15 HB1 LYS 15 -7.165 0.291 2.514
119 HB3 LYS 15 HB2 LYS 15 -5.417 0.147 2.629
120 HG2 LYS 15 HG2 LYS 15 -6.022 -0.944 0.642
121 HG3 LYS 15 HG1 LYS 15 -5.686 -2.227 1.806
122 HD2 LYS 15 HD2 LYS 15 -8.074 -2.498 2.216
123 HD3 LYS 15 HD1 LYS 15 -8.426 -1.189 1.087
124 HE2 LYS 15 HE2 LYS 15 -7.099 -3.814 0.419
125 HE3 LYS 15 HE1 LYS 15 -8.759 -3.360 0.034
126 HZ1 LYS 15 HZ1 LYS 15 -7.908 -1.578 -1.361
127 HZ2 LYS 15 HZ2 LYS 15 -7.310 -3.075 -1.871
128 HZ3 LYS 15 HZ3 LYS 15 -6.317 -2.022 -0.997
129 H HIS 16 HN HIS 16 -8.313 0.674 4.595
130 HA HIS 16 HA HIS 16 -10.477 -1.295 4.557
131 HB2 HIS 16 HB2 HIS 16 -9.965 0.628 6.837
132 HB3 HIS 16 HB1 HIS 16 -11.421 -0.345 6.651
133 HD1 HIS 16 HD1 HIS 16 -7.978 -0.466 7.924
134 HD2 HIS 16 HD2 HIS 16 -10.976 -3.177 6.958
135 HE1 HIS 16 HE1 HIS 16 -7.294 -2.635 8.997
136 HE2 HIS 16 HE2 HIS 16 -9.123 -4.262 8.400
137 H SER 17 HN SER 17 -12.154 -0.581 3.419
138 HA SER 17 HA SER 17 -12.666 2.303 3.271
139 HB2 SER 17 HB1 SER 17 -11.370 1.724 1.265
140 HB3 SER 17 HB2 SER 17 -12.535 0.461 0.869
141 HG SER 17 HG SER 17 -14.052 1.988 0.434
142 H THR 18 HN THR 18 -13.825 -0.529 4.189
143 HA THR 18 HA THR 18 -16.316 -0.854 2.968
144 HB THR 18 HB THR 18 -15.665 -1.404 5.871
145 HG1 THR 18 HG1 THR 18 -14.433 -2.385 3.843
146 HG21 THR 18 HG21 THR 18 -17.388 -3.144 5.665
147 HG22 THR 18 HG22 THR 18 -17.714 -2.620 4.013
148 HG23 THR 18 HG23 THR 18 -18.051 -1.537 5.363
149 H SER 19 HN SER 19 -15.180 1.544 5.143
150 HA SER 19 HA SER 19 -17.527 2.352 6.412
151 HB2 SER 19 HB2 SER 19 -15.135 3.984 5.530
152 HB3 SER 19 HB1 SER 19 -16.396 4.576 6.614
153 HG SER 19 HG SER 19 -15.844 2.758 7.989
154 H ILE 20 HN ILE 20 -19.306 3.388 5.759
155 HA ILE 20 HA ILE 20 -19.513 4.145 2.952
156 HB ILE 20 HB ILE 20 -21.930 4.376 3.405
157 HG12 ILE 20 HG12 ILE 20 -21.225 3.388 6.179
158 HG13 ILE 20 HG11 ILE 20 -21.711 5.036 5.793
159 HG21 ILE 20 HG21 ILE 20 -20.730 1.767 4.325
160 HG22 ILE 20 HG22 ILE 20 -21.017 2.246 2.653
161 HG23 ILE 20 HG23 ILE 20 -22.379 1.995 3.744
162 HD11 ILE 20 HD11 ILE 20 -23.396 2.568 5.450
163 HD12 ILE 20 HD12 ILE 20 -23.884 4.213 5.040
164 HD13 ILE 20 HD13 ILE 20 -23.559 3.781 6.719
165 H GLY 21 HN GLY 21 -20.470 6.171 2.305
166 HA2 GLY 21 HA2 GLY 21 -21.161 8.337 3.787
167 HA3 GLY 21 HA1 GLY 21 -19.405 8.380 3.822
168 H LYS 22 HN LYS 22 -19.385 7.139 1.067
169 HA LYS 22 HA LYS 22 -19.683 9.662 -0.376
170 HB2 LYS 22 HB1 LYS 22 -17.528 8.484 -0.526
171 HB3 LYS 22 HB2 LYS 22 -18.342 7.081 -1.204
172 HG2 LYS 22 HG1 LYS 22 -18.999 8.390 -3.152
173 HG3 LYS 22 HG2 LYS 22 -18.201 9.809 -2.471
174 HD2 LYS 22 HD2 LYS 22 -16.057 8.628 -2.527
175 HD3 LYS 22 HD1 LYS 22 -16.856 7.213 -3.215
176 HE2 LYS 22 HE1 LYS 22 -16.707 9.946 -4.480
177 HE3 LYS 22 HE2 LYS 22 -15.740 8.545 -4.937
178 HZ1 LYS 22 HZ1 LYS 22 -18.698 8.734 -5.115
179 HZ2 LYS 22 HZ2 LYS 22 -17.770 7.390 -5.555
180 HZ3 LYS 22 HZ3 LYS 22 -17.622 8.837 -6.417
Start of MODEL 2
1 H1 ACE 0 HA1 ACE 0 6.113 -0.610 -8.993
2 H2 ACE 0 HA2 ACE 0 6.798 -2.125 -9.575
3 H3 ACE 0 HA3 ACE 0 6.802 -0.723 -10.641
4 H MET 1 HN MET 1 7.358 0.428 -7.632
5 HA MET 1 HA MET 1 10.215 -0.119 -7.572
6 HB2 MET 1 HB2 MET 1 10.022 1.792 -9.097
7 HB3 MET 1 HB1 MET 1 9.116 2.681 -7.880
8 HG2 MET 1 HG2 MET 1 11.063 2.659 -6.409
9 HG3 MET 1 HG1 MET 1 11.972 1.766 -7.627
10 HE1 MET 1 HE1 MET 1 12.219 4.374 -10.536
11 HE2 MET 1 HE2 MET 1 10.985 3.132 -10.321
12 HE3 MET 1 HE3 MET 1 12.677 2.764 -9.981
13 H ASP 2 HN ASP 2 11.004 -0.144 -5.549
14 HA ASP 2 HA ASP 2 9.667 1.315 -3.419
15 HB2 ASP 2 HB2 ASP 2 9.940 -1.697 -3.378
16 HB3 ASP 2 HB1 ASP 2 9.471 -0.713 -1.995
17 H TRP 3 HN TRP 3 11.070 1.963 -1.864
18 HA TRP 3 HA TRP 3 13.047 2.336 -0.787
19 HB2 TRP 3 HB2 TRP 3 12.862 -0.011 -0.104
20 HB3 TRP 3 HB1 TRP 3 13.608 -0.514 -1.614
21 HD1 TRP 3 HD1 TRP 3 16.062 -1.201 -1.248
22 HE1 TRP 3 HE1 TRP 3 17.981 -0.443 0.296
23 HE3 TRP 3 HE3 TRP 3 13.623 2.428 1.250
24 HZ2 TRP 3 HZ2 TRP 3 18.384 1.486 2.339
25 HZ3 TRP 3 HZ3 TRP 3 14.803 3.719 3.001
26 HH2 TRP 3 HH2 TRP 3 17.145 3.248 3.530
27 H GLY 4 HN GLY 4 15.423 2.549 -1.142
28 HA2 GLY 4 HA1 GLY 4 16.062 3.733 -3.544
29 HA3 GLY 4 HA2 GLY 4 17.239 3.039 -2.433
30 H THR 5 HN THR 5 16.104 0.388 -2.641
31 HA THR 5 HA THR 5 16.072 -0.576 -5.301
32 HB THR 5 HB THR 5 18.632 -1.119 -3.766
33 HG1 THR 5 HG1 THR 5 18.339 0.217 -6.261
34 HG21 THR 5 HG21 THR 5 17.880 -3.055 -5.047
35 HG22 THR 5 HG22 THR 5 19.315 -2.342 -5.784
36 HG23 THR 5 HG23 THR 5 17.725 -2.055 -6.491
37 H LEU 6 HN LEU 6 14.195 -1.439 -4.204
38 HA LEU 6 HA LEU 6 14.630 -4.071 -3.113
39 HB2 LEU 6 HB1 LEU 6 14.843 -2.279 -1.242
40 HB3 LEU 6 HB2 LEU 6 13.105 -2.140 -1.400
41 HG LEU 6 HG LEU 6 13.795 -4.900 -1.062
42 HD11 LEU 6 HD21 LEU 6 14.951 -2.983 0.964
43 HD12 LEU 6 HD22 LEU 6 15.847 -4.138 -0.027
44 HD13 LEU 6 HD23 LEU 6 14.743 -4.717 1.221
45 HD21 LEU 6 HD11 LEU 6 12.372 -4.582 0.956
46 HD22 LEU 6 HD12 LEU 6 11.638 -3.974 -0.528
47 HD23 LEU 6 HD13 LEU 6 12.362 -2.849 0.624
48 H GLN 7 HN GLN 7 12.211 -4.646 -2.085
49 HA GLN 7 HA GLN 7 10.166 -3.532 -3.800
50 HB2 GLN 7 HB2 GLN 7 11.061 -6.393 -3.907
51 HB3 GLN 7 HB1 GLN 7 9.392 -5.975 -4.269
52 HG2 GLN 7 HG2 GLN 7 11.681 -4.632 -5.658
53 HG3 GLN 7 HG1 GLN 7 11.040 -6.177 -6.210
54 HE21 GLN 7 HE21 GLN 7 8.181 -3.282 -6.227
55 HE22 GLN 7 HE22 GLN 7 9.027 -3.694 -4.780
56 H THR 8 HN THR 8 10.800 -6.066 -1.355
57 HA THR 8 HA THR 8 8.168 -6.044 -0.343
58 HB THR 8 HB THR 8 9.464 -7.935 0.259
59 HG1 THR 8 HG1 THR 8 8.218 -6.624 2.032
60 HG21 THR 8 HG21 THR 8 11.463 -6.060 1.530
61 HG22 THR 8 HG22 THR 8 11.685 -6.910 0.001
62 HG23 THR 8 HG23 THR 8 11.557 -7.821 1.505
63 H ILE 9 HN ILE 9 7.502 -3.999 -0.136
64 HA ILE 9 HA ILE 9 8.331 -2.600 2.255
65 HB ILE 9 HB ILE 9 8.930 -1.776 -0.496
66 HG12 ILE 9 HG12 ILE 9 10.653 -2.324 1.171
67 HG13 ILE 9 HG11 ILE 9 10.826 -0.682 0.562
68 HG21 ILE 9 HG21 ILE 9 8.813 0.653 0.068
69 HG22 ILE 9 HG22 ILE 9 7.874 0.221 1.497
70 HG23 ILE 9 HG23 ILE 9 7.247 -0.133 -0.114
71 HD11 ILE 9 HD11 ILE 9 9.606 -1.464 3.201
72 HD12 ILE 9 HD12 ILE 9 9.788 0.181 2.594
73 HD13 ILE 9 HD13 ILE 9 11.216 -0.788 2.956
74 H LEU 10 HN LEU 10 6.451 -2.095 -0.687
75 HA LEU 10 HA LEU 10 3.989 -1.955 0.837
76 HB2 LEU 10 HB1 LEU 10 5.266 0.365 -0.494
77 HB3 LEU 10 HB2 LEU 10 3.543 0.187 -0.740
78 HG LEU 10 HG LEU 10 3.540 1.566 1.082
79 HD11 LEU 10 HD21 LEU 10 3.096 0.309 3.125
80 HD12 LEU 10 HD22 LEU 10 3.806 -1.131 2.394
81 HD13 LEU 10 HD23 LEU 10 2.326 -0.444 1.727
82 HD21 LEU 10 HD11 LEU 10 5.197 1.542 2.875
83 HD22 LEU 10 HD12 LEU 10 5.950 1.729 1.291
84 HD23 LEU 10 HD13 LEU 10 5.999 0.170 2.112
85 H GLY 11 HN GLY 11 2.089 -2.175 -0.452
86 HA2 GLY 11 HA2 GLY 11 2.428 -2.673 -3.297
87 HA3 GLY 11 HA1 GLY 11 1.984 -4.070 -2.328
88 H ARG 12 HN ARG 12 0.816 -1.005 -1.311
89 HA ARG 12 HA ARG 12 -1.274 -0.123 -1.156
90 HB2 ARG 12 HB1 ARG 12 -1.599 -1.408 -3.874
91 HB3 ARG 12 HB2 ARG 12 -2.674 -0.196 -3.191
92 HG2 ARG 12 HG2 ARG 12 -0.878 1.432 -3.183
93 HG3 ARG 12 HG1 ARG 12 0.247 0.218 -3.794
94 HD2 ARG 12 HD2 ARG 12 -2.212 1.225 -5.221
95 HD3 ARG 12 HD1 ARG 12 -0.549 1.687 -5.581
96 HE ARG 12 HE ARG 12 -0.917 -1.135 -5.709
97 HH11 ARG 12 HH11 ARG 12 -1.414 1.833 -7.467
98 HH12 ARG 12 HH12 ARG 12 -1.371 1.069 -9.021
99 HH21 ARG 12 HH21 ARG 12 -1.055 -1.193 -9.182
100 HH22 ARG 12 HH22 ARG 12 -0.858 -2.148 -7.752
101 H VAL 13 HN VAL 13 -0.727 -2.989 -0.349
102 HA VAL 13 HA VAL 13 -3.498 -3.984 -0.393
103 HB VAL 13 HB VAL 13 -2.530 -6.192 0.222
104 HG11 VAL 13 HG11 VAL 13 -1.634 -6.700 -2.004
105 HG12 VAL 13 HG12 VAL 13 -1.477 -4.974 -2.329
106 HG13 VAL 13 HG13 VAL 13 -3.074 -5.686 -2.095
107 HG21 VAL 13 HG21 VAL 13 -0.122 -6.550 -0.060
108 HG22 VAL 13 HG22 VAL 13 -0.464 -5.420 1.251
109 HG23 VAL 13 HG23 VAL 13 0.103 -4.818 -0.306
110 H ASN 14 HN ASN 14 -1.231 -2.486 1.559
111 HA ASN 14 HA ASN 14 -2.315 -3.638 4.030
112 HB2 ASN 14 HB2 ASN 14 0.062 -1.818 3.596
113 HB3 ASN 14 HB1 ASN 14 -0.453 -2.458 5.154
114 HD21 ASN 14 HD21 ASN 14 1.001 -3.193 2.088
115 HD22 ASN 14 HD22 ASN 14 1.619 -4.745 2.524
116 H LYS 15 HN LYS 15 -3.581 -2.506 5.390
117 HA LYS 15 HA LYS 15 -3.728 0.364 5.320
118 HB2 LYS 15 HB1 LYS 15 -5.159 -0.302 3.392
119 HB3 LYS 15 HB2 LYS 15 -6.173 -1.215 4.502
120 HG2 LYS 15 HG1 LYS 15 -6.770 0.822 5.674
121 HG3 LYS 15 HG2 LYS 15 -5.704 1.758 4.623
122 HD2 LYS 15 HD2 LYS 15 -7.057 1.077 2.682
123 HD3 LYS 15 HD1 LYS 15 -8.144 0.205 3.765
124 HE2 LYS 15 HE2 LYS 15 -8.693 2.291 4.905
125 HE3 LYS 15 HE1 LYS 15 -7.590 3.168 3.846
126 HZ1 LYS 15 HZ1 LYS 15 -8.963 2.546 1.958
127 HZ2 LYS 15 HZ2 LYS 15 -9.880 3.379 3.110
128 HZ3 LYS 15 HZ3 LYS 15 -10.019 1.698 2.973
129 H HIS 16 HN HIS 16 -5.499 -2.560 6.319
130 HA HIS 16 HA HIS 16 -5.479 -1.536 9.069
131 HB2 HIS 16 HB2 HIS 16 -7.882 -2.644 7.606
132 HB3 HIS 16 HB1 HIS 16 -7.814 -2.427 9.353
133 HD1 HIS 16 HD1 HIS 16 -8.846 -0.738 6.364
134 HD2 HIS 16 HD2 HIS 16 -7.278 0.437 10.030
135 HE1 HIS 16 HE1 HIS 16 -9.398 1.706 6.579
136 HE2 HIS 16 HE2 HIS 16 -8.439 2.398 8.804
137 H SER 17 HN SER 17 -5.743 -3.184 10.700
138 HA SER 17 HA SER 17 -5.187 -5.162 11.673
139 HB2 SER 17 HB1 SER 17 -6.223 -6.305 9.066
140 HB3 SER 17 HB2 SER 17 -5.940 -7.226 10.544
141 HG SER 17 HG SER 17 -7.594 -4.965 10.644
142 H THR 18 HN THR 18 -3.323 -3.756 9.672
143 HA THR 18 HA THR 18 -1.686 -5.628 8.404
144 HB THR 18 HB THR 18 -0.795 -3.016 9.646
145 HG1 THR 18 HG1 THR 18 -2.134 -3.639 7.238
146 HG21 THR 18 HG21 THR 18 1.066 -4.447 8.970
147 HG22 THR 18 HG22 THR 18 0.928 -3.056 7.894
148 HG23 THR 18 HG23 THR 18 0.351 -4.638 7.369
149 H SER 19 HN SER 19 -2.036 -4.829 11.732
150 HA SER 19 HA SER 19 0.457 -5.620 12.742
151 HB2 SER 19 HB1 SER 19 -1.101 -4.402 14.132
152 HB3 SER 19 HB2 SER 19 -2.293 -5.696 14.004
153 HG SER 19 HG SER 19 -1.302 -6.067 15.906
154 H ILE 20 HN ILE 20 1.406 -7.543 12.841
155 HA ILE 20 HA ILE 20 0.032 -9.909 11.977
156 HB ILE 20 HB ILE 20 2.184 -11.056 12.393
157 HG12 ILE 20 HG12 ILE 20 3.164 -8.317 13.236
158 HG13 ILE 20 HG11 ILE 20 2.870 -9.658 14.338
159 HG21 ILE 20 HG21 ILE 20 3.455 -9.878 10.663
160 HG22 ILE 20 HG22 ILE 20 2.406 -8.473 10.852
161 HG23 ILE 20 HG23 ILE 20 1.745 -9.991 10.246
162 HD11 ILE 20 HD11 ILE 20 4.899 -9.608 12.118
163 HD12 ILE 20 HD12 ILE 20 4.597 -10.962 13.207
164 HD13 ILE 20 HD13 ILE 20 5.228 -9.443 13.843
165 H GLY 21 HN GLY 21 -0.580 -11.677 13.158
166 HA2 GLY 21 HA2 GLY 21 -1.141 -11.236 15.937
167 HA3 GLY 21 HA1 GLY 21 -1.527 -12.680 15.012
168 H LYS 22 HN LYS 22 1.600 -12.281 14.367
169 HA LYS 22 HA LYS 22 3.507 -13.337 15.013
170 HB2 LYS 22 HB1 LYS 22 2.443 -12.747 17.782
171 HB3 LYS 22 HB2 LYS 22 4.095 -13.216 17.405
172 HG2 LYS 22 HG2 LYS 22 4.391 -11.179 16.103
173 HG3 LYS 22 HG1 LYS 22 2.725 -10.711 16.449
174 HD2 LYS 22 HD2 LYS 22 3.241 -10.646 18.841
175 HD3 LYS 22 HD1 LYS 22 4.908 -11.108 18.493
176 HE2 LYS 22 HE2 LYS 22 3.534 -8.601 17.538
177 HE3 LYS 22 HE1 LYS 22 4.701 -8.698 18.856
178 HZ1 LYS 22 HZ1 LYS 22 5.247 -9.361 16.013
179 HZ2 LYS 22 HZ2 LYS 22 6.366 -9.450 17.277
180 HZ3 LYS 22 HZ3 LYS 22 5.738 -7.951 16.809
Start of MODEL 3
1 H1 ACE 0 HA1 ACE 0 7.594 0.630 -10.884
2 H2 ACE 0 HA2 ACE 0 7.050 1.665 -9.565
3 H3 ACE 0 HA3 ACE 0 6.871 -0.080 -9.409
4 H MET 1 HN MET 1 8.301 1.865 -7.716
5 HA MET 1 HA MET 1 10.800 0.378 -7.558
6 HB2 MET 1 HB1 MET 1 11.340 2.333 -8.952
7 HB3 MET 1 HB2 MET 1 10.728 3.399 -7.695
8 HG2 MET 1 HG2 MET 1 12.471 2.608 -6.177
9 HG3 MET 1 HG1 MET 1 13.088 1.547 -7.442
10 HE1 MET 1 HE1 MET 1 13.169 6.155 -7.672
11 HE2 MET 1 HE2 MET 1 12.561 5.253 -6.284
12 HE3 MET 1 HE3 MET 1 11.686 5.213 -7.814
13 H ASP 2 HN ASP 2 11.671 0.282 -5.495
14 HA ASP 2 HA ASP 2 10.383 1.808 -3.365
15 HB2 ASP 2 HB2 ASP 2 10.493 -1.214 -3.408
16 HB3 ASP 2 HB1 ASP 2 10.015 -0.244 -2.019
17 H TRP 3 HN TRP 3 11.586 1.852 -1.395
18 HA TRP 3 HA TRP 3 13.502 2.032 -0.177
19 HB2 TRP 3 HB2 TRP 3 13.545 -0.327 0.034
20 HB3 TRP 3 HB1 TRP 3 14.020 -0.547 -1.646
21 HD1 TRP 3 HD1 TRP 3 16.437 -1.423 -1.734
22 HE1 TRP 3 HE1 TRP 3 18.622 -0.952 -0.449
23 HE3 TRP 3 HE3 TRP 3 14.662 1.961 1.556
24 HZ2 TRP 3 HZ2 TRP 3 19.468 0.683 1.711
25 HZ3 TRP 3 HZ3 TRP 3 16.190 2.965 3.224
26 HH2 TRP 3 HH2 TRP 3 18.552 2.331 3.292
27 H GLY 4 HN GLY 4 15.184 0.488 -2.769
28 HA2 GLY 4 HA1 GLY 4 16.029 2.730 -4.239
29 HA3 GLY 4 HA2 GLY 4 17.205 2.383 -2.970
30 H THR 5 HN THR 5 15.381 -0.224 -4.123
31 HA THR 5 HA THR 5 16.410 -1.271 -6.345
32 HB THR 5 HB THR 5 18.712 -0.995 -5.552
33 HG1 THR 5 HG1 THR 5 17.748 -3.139 -6.540
34 HG21 THR 5 HG21 THR 5 18.289 -1.054 -3.142
35 HG22 THR 5 HG22 THR 5 19.530 -2.224 -3.591
36 HG23 THR 5 HG23 THR 5 17.889 -2.769 -3.249
37 H LEU 6 HN LEU 6 15.512 -1.622 -3.076
38 HA LEU 6 HA LEU 6 14.908 -4.409 -3.009
39 HB2 LEU 6 HB1 LEU 6 15.260 -2.628 -1.106
40 HB3 LEU 6 HB2 LEU 6 13.541 -2.354 -1.309
41 HG LEU 6 HG LEU 6 13.959 -5.159 -1.026
42 HD11 LEU 6 HD21 LEU 6 16.088 -4.658 0.008
43 HD12 LEU 6 HD22 LEU 6 14.939 -5.173 1.242
44 HD13 LEU 6 HD23 LEU 6 15.328 -3.461 1.058
45 HD21 LEU 6 HD11 LEU 6 12.768 -3.044 0.765
46 HD22 LEU 6 HD12 LEU 6 12.579 -4.782 0.996
47 HD23 LEU 6 HD13 LEU 6 11.919 -4.009 -0.443
48 H GLN 7 HN GLN 7 12.399 -4.651 -2.061
49 HA GLN 7 HA GLN 7 10.578 -3.281 -3.840
50 HB2 GLN 7 HB2 GLN 7 11.124 -6.221 -3.961
51 HB3 GLN 7 HB1 GLN 7 9.512 -5.621 -4.325
52 HG2 GLN 7 HG2 GLN 7 12.081 -5.011 -5.753
53 HG3 GLN 7 HG1 GLN 7 10.655 -5.834 -6.381
54 HE21 GLN 7 HE21 GLN 7 8.942 -2.450 -6.013
55 HE22 GLN 7 HE22 GLN 7 8.883 -3.862 -5.020
56 H THR 8 HN THR 8 10.771 -5.905 -1.413
57 HA THR 8 HA THR 8 8.139 -5.508 -0.482
58 HB THR 8 HB THR 8 9.132 -7.577 0.126
59 HG1 THR 8 HG1 THR 8 7.977 -6.186 1.855
60 HG21 THR 8 HG21 THR 8 11.484 -6.875 -0.031
61 HG22 THR 8 HG22 THR 8 11.169 -7.779 1.450
62 HG23 THR 8 HG23 THR 8 11.325 -6.024 1.505
63 H ILE 9 HN ILE 9 7.799 -3.375 -0.286
64 HA ILE 9 HA ILE 9 8.743 -2.140 2.154
65 HB ILE 9 HB ILE 9 9.560 -1.410 -0.558
66 HG12 ILE 9 HG12 ILE 9 11.115 -2.166 1.189
67 HG13 ILE 9 HG11 ILE 9 11.535 -0.566 0.585
68 HG21 ILE 9 HG21 ILE 9 9.735 1.025 0.010
69 HG22 ILE 9 HG22 ILE 9 8.659 0.719 1.374
70 HG23 ILE 9 HG23 ILE 9 8.097 0.440 -0.276
71 HD11 ILE 9 HD11 ILE 9 10.100 -1.158 3.165
72 HD12 ILE 9 HD12 ILE 9 10.528 0.444 2.563
73 HD13 ILE 9 HD13 ILE 9 11.795 -0.705 2.995
74 H LEU 10 HN LEU 10 6.827 -1.866 -0.766
75 HA LEU 10 HA LEU 10 4.508 -1.042 0.738
76 HB2 LEU 10 HB2 LEU 10 5.288 1.118 0.548
77 HB3 LEU 10 HB1 LEU 10 6.044 0.822 -1.004
78 HG LEU 10 HG LEU 10 3.192 0.516 -1.235
79 HD11 LEU 10 HD11 LEU 10 4.119 3.181 -0.181
80 HD12 LEU 10 HD12 LEU 10 3.155 2.009 0.718
81 HD13 LEU 10 HD13 LEU 10 2.495 2.769 -0.731
82 HD21 LEU 10 HD21 LEU 10 4.891 0.975 -3.010
83 HD22 LEU 10 HD22 LEU 10 5.009 2.621 -2.386
84 HD23 LEU 10 HD23 LEU 10 3.481 2.035 -3.044
85 H GLY 11 HN GLY 11 2.638 -1.607 -0.270
86 HA2 GLY 11 HA2 GLY 11 2.658 -2.189 -3.131
87 HA3 GLY 11 HA1 GLY 11 2.342 -3.542 -2.054
88 H ARG 12 HN ARG 12 1.283 -0.232 -1.516
89 HA ARG 12 HA ARG 12 -0.779 0.685 -1.256
90 HB2 ARG 12 HB1 ARG 12 -1.530 -1.327 -3.384
91 HB3 ARG 12 HB2 ARG 12 -2.505 0.055 -2.902
92 HG2 ARG 12 HG1 ARG 12 -0.743 1.567 -3.663
93 HG3 ARG 12 HG2 ARG 12 0.234 0.180 -4.149
94 HD2 ARG 12 HD2 ARG 12 -1.512 -0.492 -5.729
95 HD3 ARG 12 HD1 ARG 12 -2.481 0.899 -5.247
96 HE ARG 12 HE ARG 12 0.025 1.818 -6.079
97 HH11 ARG 12 HH11 ARG 12 -2.605 0.985 -8.981
98 HH12 ARG 12 HH12 ARG 12 -2.814 0.295 -7.406
99 HH21 ARG 12 HH21 ARG 12 0.309 2.729 -8.150
100 HH22 ARG 12 HH22 ARG 12 -0.830 2.368 -9.404
101 H VAL 13 HN VAL 13 0.017 -1.825 0.227
102 HA VAL 13 HA VAL 13 -2.471 -3.189 0.737
103 HB VAL 13 HB VAL 13 -0.390 -4.439 0.890
104 HG11 VAL 13 HG21 VAL 13 1.219 -4.017 2.691
105 HG12 VAL 13 HG22 VAL 13 0.303 -2.587 3.166
106 HG13 VAL 13 HG23 VAL 13 1.093 -2.645 1.591
107 HG21 VAL 13 HG11 VAL 13 -1.718 -4.124 3.579
108 HG22 VAL 13 HG12 VAL 13 -0.725 -5.492 3.076
109 HG23 VAL 13 HG13 VAL 13 -2.260 -5.172 2.268
110 H ASN 14 HN ASN 14 -3.810 -2.969 2.473
111 HA ASN 14 HA ASN 14 -3.104 -1.139 4.625
112 HB2 ASN 14 HB2 ASN 14 -5.181 0.162 4.374
113 HB3 ASN 14 HB1 ASN 14 -4.138 0.329 2.965
114 HD21 ASN 14 HD21 ASN 14 -6.358 -1.156 0.725
115 HD22 ASN 14 HD22 ASN 14 -4.741 -0.624 1.022
116 H LYS 15 HN LYS 15 -4.917 -3.736 3.325
117 HA LYS 15 HA LYS 15 -6.197 -5.369 4.244
118 HB2 LYS 15 HB2 LYS 15 -5.010 -4.358 6.835
119 HB3 LYS 15 HB1 LYS 15 -5.871 -5.878 6.638
120 HG2 LYS 15 HG2 LYS 15 -3.317 -5.152 5.218
121 HG3 LYS 15 HG1 LYS 15 -3.423 -6.144 6.674
122 HD2 LYS 15 HD2 LYS 15 -4.785 -7.777 5.469
123 HD3 LYS 15 HD1 LYS 15 -4.696 -6.782 4.013
124 HE2 LYS 15 HE2 LYS 15 -3.096 -8.621 3.920
125 HE3 LYS 15 HE1 LYS 15 -2.274 -7.061 3.958
126 HZ1 LYS 15 HZ1 LYS 15 -1.212 -8.649 5.429
127 HZ2 LYS 15 HZ2 LYS 15 -2.656 -8.873 6.281
128 HZ3 LYS 15 HZ3 LYS 15 -1.875 -7.374 6.323
129 H HIS 16 HN HIS 16 -6.476 -3.305 7.089
130 HA HIS 16 HA HIS 16 -8.954 -2.122 6.354
131 HB2 HIS 16 HB1 HIS 16 -9.704 -4.464 6.701
132 HB3 HIS 16 HB2 HIS 16 -9.101 -4.389 8.354
133 HD1 HIS 16 HD1 HIS 16 -11.929 -3.308 6.196
134 HD2 HIS 16 HD2 HIS 16 -10.657 -2.833 10.124
135 HE1 HIS 16 HE1 HIS 16 -13.903 -2.360 7.433
136 HE2 HIS 16 HE2 HIS 16 -13.112 -2.081 9.809
137 H SER 17 HN SER 17 -9.130 -0.304 7.492
138 HA SER 17 HA SER 17 -8.018 -0.210 10.210
139 HB2 SER 17 HB1 SER 17 -7.066 2.023 9.741
140 HB3 SER 17 HB2 SER 17 -6.347 0.780 8.716
141 HG SER 17 HG SER 17 -6.854 2.481 7.400
142 H THR 18 HN THR 18 -8.530 2.553 10.590
143 HA THR 18 HA THR 18 -10.167 3.984 11.257
144 HB THR 18 HB THR 18 -12.066 2.659 9.326
145 HG1 THR 18 HG1 THR 18 -9.905 4.428 8.794
146 HG21 THR 18 HG21 THR 18 -13.022 4.380 10.752
147 HG22 THR 18 HG22 THR 18 -12.912 4.970 9.094
148 HG23 THR 18 HG23 THR 18 -11.739 5.502 10.298
149 H SER 19 HN SER 19 -10.036 0.920 11.991
150 HA SER 19 HA SER 19 -12.668 0.671 13.243
151 HB2 SER 19 HB2 SER 19 -10.398 -1.296 12.884
152 HB3 SER 19 HB1 SER 19 -11.867 -1.655 13.793
153 HG SER 19 HG SER 19 -12.448 -0.622 11.362
154 H ILE 20 HN ILE 20 -12.966 1.186 15.301
155 HA ILE 20 HA ILE 20 -10.648 1.153 17.120
156 HB ILE 20 HB ILE 20 -12.878 3.193 17.143
157 HG12 ILE 20 HG11 ILE 20 -9.958 3.544 16.420
158 HG13 ILE 20 HG12 ILE 20 -11.273 3.455 15.253
159 HG21 ILE 20 HG21 ILE 20 -11.532 4.302 18.870
160 HG22 ILE 20 HG22 ILE 20 -10.386 2.962 18.827
161 HG23 ILE 20 HG23 ILE 20 -12.042 2.689 19.370
162 HD11 ILE 20 HD11 ILE 20 -12.253 5.478 16.204
163 HD12 ILE 20 HD12 ILE 20 -10.604 5.749 15.639
164 HD13 ILE 20 HD13 ILE 20 -10.928 5.570 17.364
165 H GLY 21 HN GLY 21 -10.961 -0.401 18.570
166 HA2 GLY 21 HA2 GLY 21 -12.059 -1.178 20.538
167 HA3 GLY 21 HA1 GLY 21 -13.576 -0.568 19.896
168 H LYS 22 HN LYS 22 -12.461 -1.911 17.265
169 HA LYS 22 HA LYS 22 -14.056 -4.257 17.510
170 HB2 LYS 22 HB1 LYS 22 -12.119 -3.445 15.334
171 HB3 LYS 22 HB2 LYS 22 -13.292 -4.749 15.215
172 HG2 LYS 22 HG1 LYS 22 -13.976 -1.845 15.624
173 HG3 LYS 22 HG2 LYS 22 -14.020 -2.695 14.079
174 HD2 LYS 22 HD2 LYS 22 -15.700 -4.238 14.985
175 HD3 LYS 22 HD1 LYS 22 -15.666 -3.364 16.518
176 HE2 LYS 22 HE1 LYS 22 -16.476 -2.227 13.845
177 HE3 LYS 22 HE2 LYS 22 -17.570 -2.682 15.150
178 HZ1 LYS 22 HZ1 LYS 22 -15.497 -0.559 15.291
179 HZ2 LYS 22 HZ2 LYS 22 -16.542 -0.998 16.548
180 HZ3 LYS 22 HZ3 LYS 22 -17.162 -0.305 15.134
Start of MODEL 4
1 H1 ACE 0 HA1 ACE 0 7.044 2.482 -9.429
2 H2 ACE 0 HA2 ACE 0 6.979 0.727 -9.286
3 H3 ACE 0 HA3 ACE 0 7.681 1.440 -10.737
4 H MET 1 HN MET 1 8.131 2.350 -7.347
5 HA MET 1 HA MET 1 10.819 1.267 -7.330
6 HB2 MET 1 HB1 MET 1 11.124 3.446 -8.420
7 HB3 MET 1 HB2 MET 1 10.332 4.239 -7.066
8 HG2 MET 1 HG2 MET 1 12.123 3.512 -5.582
9 HG3 MET 1 HG1 MET 1 12.915 2.700 -6.932
10 HE1 MET 1 HE1 MET 1 12.429 4.750 -9.311
11 HE2 MET 1 HE2 MET 1 13.979 3.965 -9.005
12 HE3 MET 1 HE3 MET 1 13.904 5.713 -9.226
13 H ASP 2 HN ASP 2 11.605 0.907 -5.286
14 HA ASP 2 HA ASP 2 10.198 2.016 -2.989
15 HB2 ASP 2 HB2 ASP 2 10.403 -0.963 -3.483
16 HB3 ASP 2 HB1 ASP 2 9.857 -0.224 -1.981
17 H TRP 3 HN TRP 3 11.377 1.849 -1.029
18 HA TRP 3 HA TRP 3 13.247 1.817 0.274
19 HB2 TRP 3 HB2 TRP 3 13.497 -0.509 0.063
20 HB3 TRP 3 HB1 TRP 3 13.890 -0.404 -1.649
21 HD1 TRP 3 HD1 TRP 3 16.359 -1.030 -2.030
22 HE1 TRP 3 HE1 TRP 3 18.576 -0.665 -0.765
23 HE3 TRP 3 HE3 TRP 3 14.548 1.468 1.956
24 HZ2 TRP 3 HZ2 TRP 3 19.430 0.554 1.652
25 HZ3 TRP 3 HZ3 TRP 3 16.095 2.225 3.734
26 HH2 TRP 3 HH2 TRP 3 18.494 1.773 3.574
27 H GLY 4 HN GLY 4 14.772 1.052 -2.773
28 HA2 GLY 4 HA1 GLY 4 15.636 3.586 -3.549
29 HA3 GLY 4 HA2 GLY 4 16.866 2.884 -2.494
30 H THR 5 HN THR 5 16.169 0.196 -3.257
31 HA THR 5 HA THR 5 16.517 -0.164 -6.077
32 HB THR 5 HB THR 5 18.770 -1.184 -4.341
33 HG1 THR 5 HG1 THR 5 18.834 1.150 -5.976
34 HG21 THR 5 HG21 THR 5 19.922 -1.399 -6.508
35 HG22 THR 5 HG22 THR 5 18.478 -0.801 -7.323
36 HG23 THR 5 HG23 THR 5 18.431 -2.338 -6.460
37 H LEU 6 HN LEU 6 14.905 -0.880 -3.640
38 HA LEU 6 HA LEU 6 15.059 -3.824 -3.760
39 HB2 LEU 6 HB1 LEU 6 15.311 -2.420 -1.554
40 HB3 LEU 6 HB2 LEU 6 13.567 -2.293 -1.658
41 HG LEU 6 HG LEU 6 14.247 -5.039 -1.949
42 HD11 LEU 6 HD21 LEU 6 15.605 -3.667 0.370
43 HD12 LEU 6 HD22 LEU 6 16.391 -4.556 -0.938
44 HD13 LEU 6 HD23 LEU 6 15.370 -5.409 0.220
45 HD21 LEU 6 HD11 LEU 6 12.162 -4.235 -1.051
46 HD22 LEU 6 HD12 LEU 6 13.000 -3.436 0.280
47 HD23 LEU 6 HD13 LEU 6 12.982 -5.197 0.180
48 H GLN 7 HN GLN 7 12.611 -4.475 -2.788
49 HA GLN 7 HA GLN 7 10.602 -3.013 -4.267
50 HB2 GLN 7 HB2 GLN 7 11.420 -5.824 -4.905
51 HB3 GLN 7 HB1 GLN 7 9.750 -5.327 -5.139
52 HG2 GLN 7 HG2 GLN 7 12.026 -3.785 -6.329
53 HG3 GLN 7 HG1 GLN 7 11.343 -5.198 -7.130
54 HE21 GLN 7 HE21 GLN 7 8.541 -2.304 -6.546
55 HE22 GLN 7 HE22 GLN 7 9.420 -2.976 -5.222
56 H THR 8 HN THR 8 11.128 -6.000 -2.366
57 HA THR 8 HA THR 8 8.513 -6.022 -1.312
58 HB THR 8 HB THR 8 9.694 -8.071 -1.125
59 HG1 THR 8 HG1 THR 8 8.605 -6.989 0.942
60 HG21 THR 8 HG21 THR 8 11.818 -6.605 0.445
61 HG22 THR 8 HG22 THR 8 11.970 -7.152 -1.225
62 HG23 THR 8 HG23 THR 8 11.801 -8.330 0.078
63 H ILE 9 HN ILE 9 8.000 -4.006 -0.710
64 HA ILE 9 HA ILE 9 8.941 -3.165 1.894
65 HB ILE 9 HB ILE 9 9.556 -1.859 -0.657
66 HG12 ILE 9 HG12 ILE 9 11.265 -2.793 0.841
67 HG13 ILE 9 HG11 ILE 9 11.511 -1.071 0.562
68 HG21 ILE 9 HG21 ILE 9 7.952 -0.246 0.057
69 HG22 ILE 9 HG22 ILE 9 9.555 0.425 0.357
70 HG23 ILE 9 HG23 ILE 9 8.609 -0.229 1.694
71 HD11 ILE 9 HD11 ILE 9 10.277 -2.302 3.017
72 HD12 ILE 9 HD12 ILE 9 10.527 -0.578 2.740
73 HD13 ILE 9 HD13 ILE 9 11.914 -1.659 2.882
74 H LEU 10 HN LEU 10 6.852 -2.625 -0.857
75 HA LEU 10 HA LEU 10 4.647 -1.970 0.957
76 HB2 LEU 10 HB1 LEU 10 5.936 -0.080 -0.672
77 HB3 LEU 10 HB2 LEU 10 4.427 -0.443 -1.473
78 HG LEU 10 HG LEU 10 4.336 1.520 0.073
79 HD11 LEU 10 HD11 LEU 10 2.540 -0.792 0.788
80 HD12 LEU 10 HD12 LEU 10 2.323 0.292 -0.585
81 HD13 LEU 10 HD13 LEU 10 2.200 0.916 1.060
82 HD21 LEU 10 HD21 LEU 10 4.637 -0.594 2.199
83 HD22 LEU 10 HD22 LEU 10 4.229 1.100 2.474
84 HD23 LEU 10 HD23 LEU 10 5.809 0.668 1.818
85 H GLY 11 HN GLY 11 2.541 -2.176 -0.029
86 HA2 GLY 11 HA2 GLY 11 2.230 -3.312 -2.610
87 HA3 GLY 11 HA1 GLY 11 2.122 -4.549 -1.365
88 H ARG 12 HN ARG 12 1.107 -1.367 -0.566
89 HA ARG 12 HA ARG 12 -0.894 -0.520 0.085
90 HB2 ARG 12 HB1 ARG 12 -1.839 -2.050 -2.348
91 HB3 ARG 12 HB2 ARG 12 -2.754 -0.794 -1.523
92 HG2 ARG 12 HG1 ARG 12 -1.010 0.833 -2.072
93 HG3 ARG 12 HG2 ARG 12 -0.108 -0.429 -2.915
94 HD2 ARG 12 HD2 ARG 12 -1.967 -0.728 -4.469
95 HD3 ARG 12 HD1 ARG 12 -2.882 0.519 -3.622
96 HE ARG 12 HE ARG 12 -0.400 1.564 -4.449
97 HH11 ARG 12 HH11 ARG 12 -3.394 1.590 -7.108
98 HH12 ARG 12 HH12 ARG 12 -3.466 0.529 -5.741
99 HH21 ARG 12 HH21 ARG 12 -0.297 2.965 -6.245
100 HH22 ARG 12 HH22 ARG 12 -1.592 2.974 -7.395
101 H VAL 13 HN VAL 13 -0.085 -3.179 1.118
102 HA VAL 13 HA VAL 13 -2.224 -4.948 1.348
103 HB VAL 13 HB VAL 13 0.023 -5.550 2.066
104 HG11 VAL 13 HG21 VAL 13 -0.417 -3.599 4.323
105 HG12 VAL 13 HG22 VAL 13 0.726 -3.417 2.993
106 HG13 VAL 13 HG23 VAL 13 0.947 -4.705 4.177
107 HG21 VAL 13 HG11 VAL 13 -0.532 -6.680 4.166
108 HG22 VAL 13 HG12 VAL 13 -1.846 -6.803 2.996
109 HG23 VAL 13 HG13 VAL 13 -1.961 -5.660 4.335
110 H ASN 14 HN ASN 14 -1.544 -1.969 3.057
111 HA ASN 14 HA ASN 14 -3.614 -2.390 5.024
112 HB2 ASN 14 HB1 ASN 14 -1.985 0.073 4.367
113 HB3 ASN 14 HB2 ASN 14 -3.065 -0.089 5.747
114 HD21 ASN 14 HD21 ASN 14 -0.042 -1.052 4.342
115 HD22 ASN 14 HD22 ASN 14 0.634 -1.746 5.773
116 H LYS 15 HN LYS 15 -5.688 -2.200 4.527
117 HA LYS 15 HA LYS 15 -6.571 -0.756 2.205
118 HB2 LYS 15 HB2 LYS 15 -8.154 -2.107 4.399
119 HB3 LYS 15 HB1 LYS 15 -8.828 -1.483 2.900
120 HG2 LYS 15 HG1 LYS 15 -7.479 -3.076 1.629
121 HG3 LYS 15 HG2 LYS 15 -6.809 -3.705 3.136
122 HD2 LYS 15 HD1 LYS 15 -9.046 -4.380 3.855
123 HD3 LYS 15 HD2 LYS 15 -9.723 -3.742 2.355
124 HE2 LYS 15 HE1 LYS 15 -9.452 -6.159 2.226
125 HE3 LYS 15 HE2 LYS 15 -8.398 -5.344 1.072
126 HZ1 LYS 15 HZ1 LYS 15 -6.554 -5.633 2.607
127 HZ2 LYS 15 HZ2 LYS 15 -7.243 -7.127 2.215
128 HZ3 LYS 15 HZ3 LYS 15 -7.566 -6.415 3.714
129 H HIS 16 HN HIS 16 -6.238 -0.100 5.577
130 HA HIS 16 HA HIS 16 -7.288 2.594 5.136
131 HB2 HIS 16 HB1 HIS 16 -9.127 1.283 6.139
132 HB3 HIS 16 HB2 HIS 16 -8.080 0.869 7.493
133 HD1 HIS 16 HD1 HIS 16 -10.138 3.642 6.099
134 HD2 HIS 16 HD2 HIS 16 -7.639 2.944 9.345
135 HE1 HIS 16 HE1 HIS 16 -10.530 5.563 7.675
136 HE2 HIS 16 HE2 HIS 16 -9.009 5.120 9.633
137 H SER 17 HN SER 17 -5.961 4.099 5.915
138 HA SER 17 HA SER 17 -4.310 3.554 8.248
139 HB2 SER 17 HB1 SER 17 -3.107 4.337 5.581
140 HB3 SER 17 HB2 SER 17 -2.232 4.251 7.110
141 HG SER 17 HG SER 17 -1.925 2.243 6.604
142 H THR 18 HN THR 18 -4.028 5.992 5.688
143 HA THR 18 HA THR 18 -3.843 8.273 5.870
144 HB THR 18 HB THR 18 -6.257 7.896 5.494
145 HG1 THR 18 HG1 THR 18 -5.099 10.084 6.570
146 HG21 THR 18 HG21 THR 18 -6.462 8.129 8.499
147 HG22 THR 18 HG22 THR 18 -6.822 6.697 7.536
148 HG23 THR 18 HG23 THR 18 -7.824 8.139 7.379
149 H SER 19 HN SER 19 -2.594 6.865 8.069
150 HA SER 19 HA SER 19 -3.118 8.555 10.389
151 HB2 SER 19 HB1 SER 19 -1.711 7.020 11.619
152 HB3 SER 19 HB2 SER 19 -2.841 6.078 10.642
153 HG SER 19 HG SER 19 -1.108 5.917 9.074
154 H ILE 20 HN ILE 20 -2.003 10.354 10.715
155 HA ILE 20 HA ILE 20 0.828 10.485 10.198
156 HB ILE 20 HB ILE 20 -0.022 11.026 7.975
157 HG12 ILE 20 HG11 ILE 20 1.016 13.286 7.727
158 HG13 ILE 20 HG12 ILE 20 1.072 13.410 9.483
159 HG21 ILE 20 HG21 ILE 20 -1.394 13.022 7.600
160 HG22 ILE 20 HG22 ILE 20 -1.523 13.253 9.343
161 HG23 ILE 20 HG23 ILE 20 -2.231 11.826 8.588
162 HD11 ILE 20 HD11 ILE 20 2.489 11.341 7.822
163 HD12 ILE 20 HD12 ILE 20 2.553 11.481 9.579
164 HD13 ILE 20 HD13 ILE 20 3.224 12.760 8.567
165 H GLY 21 HN GLY 21 1.841 12.016 11.434
166 HA2 GLY 21 HA2 GLY 21 0.288 14.120 12.709
167 HA3 GLY 21 HA1 GLY 21 0.928 12.889 13.787
168 H LYS 22 HN LYS 22 3.136 12.961 11.439
169 HA LYS 22 HA LYS 22 4.867 14.748 12.959
170 HB2 LYS 22 HB2 LYS 22 5.508 12.844 10.698
171 HB3 LYS 22 HB1 LYS 22 6.690 13.760 11.623
172 HG2 LYS 22 HG1 LYS 22 6.031 12.569 13.651
173 HG3 LYS 22 HG2 LYS 22 4.845 11.649 12.722
174 HD2 LYS 22 HD2 LYS 22 6.644 10.721 11.346
175 HD3 LYS 22 HD1 LYS 22 7.830 11.637 12.279
176 HE2 LYS 22 HE1 LYS 22 7.727 9.326 13.037
177 HE3 LYS 22 HE2 LYS 22 7.181 10.429 14.300
178 HZ1 LYS 22 HZ1 LYS 22 5.422 8.844 12.506
179 HZ2 LYS 22 HZ2 LYS 22 4.895 9.906 13.712
180 HZ3 LYS 22 HZ3 LYS 22 5.741 8.503 14.132
Start of MODEL 5
1 H1 ACE 0 HA1 ACE 0 12.873 -1.298 -9.542
2 H2 ACE 0 HA2 ACE 0 11.934 -2.038 -8.247
3 H3 ACE 0 HA3 ACE 0 13.401 -1.151 -7.838
4 H MET 1 HN MET 1 10.601 -0.771 -6.973
5 HA MET 1 HA MET 1 10.439 2.080 -7.627
6 HB2 MET 1 HB1 MET 1 7.991 1.940 -7.830
7 HB3 MET 1 HB2 MET 1 8.806 0.994 -9.068
8 HG2 MET 1 HG1 MET 1 8.401 -1.040 -7.758
9 HG3 MET 1 HG2 MET 1 7.545 -0.078 -6.555
10 HE1 MET 1 HE1 MET 1 6.093 -0.665 -10.897
11 HE2 MET 1 HE2 MET 1 7.552 -1.408 -10.240
12 HE3 MET 1 HE3 MET 1 7.482 0.338 -10.476
13 H ASP 2 HN ASP 2 11.262 0.311 -5.311
14 HA ASP 2 HA ASP 2 9.865 1.849 -3.267
15 HB2 ASP 2 HB2 ASP 2 10.028 -1.173 -3.204
16 HB3 ASP 2 HB1 ASP 2 9.476 -0.161 -1.872
17 H TRP 3 HN TRP 3 10.990 1.871 -1.219
18 HA TRP 3 HA TRP 3 12.839 1.999 0.108
19 HB2 TRP 3 HB2 TRP 3 13.169 -0.323 0.114
20 HB3 TRP 3 HB1 TRP 3 13.571 -0.367 -1.600
21 HD1 TRP 3 HD1 TRP 3 16.070 -0.923 -1.924
22 HE1 TRP 3 HE1 TRP 3 18.260 -0.377 -0.680
23 HE3 TRP 3 HE3 TRP 3 14.138 1.825 1.838
24 HZ2 TRP 3 HZ2 TRP 3 19.050 1.064 1.634
25 HZ3 TRP 3 HZ3 TRP 3 15.643 2.777 3.556
26 HH2 TRP 3 HH2 TRP 3 18.057 2.399 3.446
27 H GLY 4 HN GLY 4 14.377 1.038 -2.881
28 HA2 GLY 4 HA1 GLY 4 15.203 3.478 -3.883
29 HA3 GLY 4 HA2 GLY 4 16.423 2.967 -2.711
30 H THR 5 HN THR 5 15.744 0.163 -3.233
31 HA THR 5 HA THR 5 16.238 -0.503 -5.951
32 HB THR 5 HB THR 5 18.520 0.206 -5.372
33 HG1 THR 5 HG1 THR 5 18.027 -1.794 -6.657
34 HG21 THR 5 HG21 THR 5 19.804 -0.989 -3.662
35 HG22 THR 5 HG22 THR 5 18.363 -1.900 -3.214
36 HG23 THR 5 HG23 THR 5 18.419 -0.158 -2.954
37 H LEU 6 HN LEU 6 14.582 -1.033 -3.514
38 HA LEU 6 HA LEU 6 14.910 -3.957 -3.295
39 HB2 LEU 6 HB1 LEU 6 15.045 -2.315 -1.245
40 HB3 LEU 6 HB2 LEU 6 13.299 -2.314 -1.378
41 HG LEU 6 HG LEU 6 14.125 -5.024 -1.385
42 HD11 LEU 6 HD21 LEU 6 15.302 -5.136 0.778
43 HD12 LEU 6 HD22 LEU 6 15.439 -3.376 0.774
44 HD13 LEU 6 HD23 LEU 6 16.257 -4.329 -0.466
45 HD21 LEU 6 HD11 LEU 6 12.868 -5.072 0.724
46 HD22 LEU 6 HD12 LEU 6 12.013 -4.173 -0.528
47 HD23 LEU 6 HD13 LEU 6 12.864 -3.309 0.753
48 H GLN 7 HN GLN 7 12.445 -4.564 -2.233
49 HA GLN 7 HA GLN 7 10.431 -3.432 -3.973
50 HB2 GLN 7 HB2 GLN 7 10.843 -5.153 -5.426
51 HB3 GLN 7 HB1 GLN 7 11.524 -6.183 -4.176
52 HG2 GLN 7 HG1 GLN 7 9.551 -7.231 -4.905
53 HG3 GLN 7 HG2 GLN 7 9.195 -6.525 -3.330
54 HE21 GLN 7 HE21 GLN 7 6.732 -4.357 -4.493
55 HE22 GLN 7 HE22 GLN 7 7.740 -4.849 -3.180
56 H THR 8 HN THR 8 10.878 -6.158 -1.686
57 HA THR 8 HA THR 8 8.291 -5.951 -0.615
58 HB THR 8 HB THR 8 9.425 -7.995 -0.199
59 HG1 THR 8 HG1 THR 8 9.145 -6.411 2.139
60 HG21 THR 8 HG21 THR 8 11.577 -6.401 1.198
61 HG22 THR 8 HG22 THR 8 11.722 -7.162 -0.386
62 HG23 THR 8 HG23 THR 8 11.518 -8.157 1.055
63 H ILE 9 HN ILE 9 7.803 -3.886 -0.210
64 HA ILE 9 HA ILE 9 8.735 -2.793 2.289
65 HB ILE 9 HB ILE 9 9.516 -1.791 -0.353
66 HG12 ILE 9 HG12 ILE 9 11.120 -2.654 1.284
67 HG13 ILE 9 HG11 ILE 9 11.463 -0.978 0.870
68 HG21 ILE 9 HG21 ILE 9 8.602 0.120 1.792
69 HG22 ILE 9 HG22 ILE 9 7.974 -0.033 0.150
70 HG23 ILE 9 HG23 ILE 9 9.606 0.578 0.416
71 HD11 ILE 9 HD11 ILE 9 10.408 -0.257 2.956
72 HD12 ILE 9 HD12 ILE 9 11.754 -1.360 3.241
73 HD13 ILE 9 HD13 ILE 9 10.095 -1.943 3.371
74 H LEU 10 HN LEU 10 6.782 -2.448 -0.586
75 HA LEU 10 HA LEU 10 4.420 -1.904 0.907
76 HB2 LEU 10 HB2 LEU 10 5.272 0.294 1.111
77 HB3 LEU 10 HB1 LEU 10 5.819 0.325 -0.548
78 HG LEU 10 HG LEU 10 3.793 1.746 0.048
79 HD11 LEU 10 HD21 LEU 10 2.830 1.480 -2.088
80 HD12 LEU 10 HD22 LEU 10 3.315 -0.213 -2.177
81 HD13 LEU 10 HD23 LEU 10 4.534 1.057 -2.258
82 HD21 LEU 10 HD11 LEU 10 2.415 -0.932 0.004
83 HD22 LEU 10 HD12 LEU 10 1.631 0.645 0.076
84 HD23 LEU 10 HD13 LEU 10 2.632 0.096 1.420
85 H GLY 11 HN GLY 11 2.795 -2.783 -0.203
86 HA2 GLY 11 HA2 GLY 11 2.885 -2.725 -3.142
87 HA3 GLY 11 HA1 GLY 11 2.691 -4.268 -2.324
88 H ARG 12 HN ARG 12 1.274 -1.045 -1.787
89 HA ARG 12 HA ARG 12 -0.881 -0.355 -1.550
90 HB2 ARG 12 HB1 ARG 12 -1.422 -2.615 -3.486
91 HB3 ARG 12 HB2 ARG 12 -2.534 -1.307 -3.106
92 HG2 ARG 12 HG2 ARG 12 -0.950 0.310 -4.027
93 HG3 ARG 12 HG1 ARG 12 0.162 -1.005 -4.414
94 HD2 ARG 12 HD1 ARG 12 -1.103 -0.343 -6.383
95 HD3 ARG 12 HD2 ARG 12 -1.518 -1.986 -5.897
96 HE ARG 12 HE ARG 12 -3.345 -0.263 -4.695
97 HH11 ARG 12 HH11 ARG 12 -4.010 -1.053 -8.564
98 HH12 ARG 12 HH12 ARG 12 -2.431 -1.290 -7.895
99 HH21 ARG 12 HH21 ARG 12 -5.715 -0.288 -7.239
100 HH22 ARG 12 HH22 ARG 12 -5.429 0.054 -5.565
101 H VAL 13 HN VAL 13 0.185 -2.451 0.236
102 HA VAL 13 HA VAL 13 -1.649 -4.436 0.860
103 HB VAL 13 HB VAL 13 0.026 -2.885 2.838
104 HG11 VAL 13 HG11 VAL 13 -0.066 -4.942 4.170
105 HG12 VAL 13 HG12 VAL 13 -1.141 -5.663 2.972
106 HG13 VAL 13 HG13 VAL 13 -1.672 -4.263 3.904
107 HG21 VAL 13 HG21 VAL 13 1.716 -4.628 2.492
108 HG22 VAL 13 HG22 VAL 13 1.399 -3.723 1.013
109 HG23 VAL 13 HG23 VAL 13 0.718 -5.336 1.223
110 H ASN 14 HN ASN 14 -3.573 -4.505 1.865
111 HA ASN 14 HA ASN 14 -5.093 -2.154 2.209
112 HB2 ASN 14 HB1 ASN 14 -6.018 -4.427 1.698
113 HB3 ASN 14 HB2 ASN 14 -5.677 -4.887 3.363
114 HD21 ASN 14 HD21 ASN 14 -9.218 -3.684 2.851
115 HD22 ASN 14 HD22 ASN 14 -8.215 -4.760 1.945
116 H LYS 15 HN LYS 15 -4.931 -0.716 3.784
117 HA LYS 15 HA LYS 15 -4.945 -1.477 6.538
118 HB2 LYS 15 HB1 LYS 15 -2.558 -1.795 6.067
119 HB3 LYS 15 HB2 LYS 15 -2.452 -0.152 5.450
120 HG2 LYS 15 HG1 LYS 15 -1.560 -0.248 7.683
121 HG3 LYS 15 HG2 LYS 15 -3.046 0.702 7.679
122 HD2 LYS 15 HD1 LYS 15 -4.286 -1.244 8.505
123 HD3 LYS 15 HD2 LYS 15 -2.793 -2.184 8.522
124 HE2 LYS 15 HE2 LYS 15 -1.836 -0.643 10.156
125 HE3 LYS 15 HE1 LYS 15 -3.318 0.312 10.131
126 HZ1 LYS 15 HZ1 LYS 15 -3.096 -2.517 11.009
127 HZ2 LYS 15 HZ2 LYS 15 -4.521 -1.607 10.979
128 HZ3 LYS 15 HZ3 LYS 15 -3.266 -1.176 12.026
129 H HIS 16 HN HIS 16 -3.888 1.247 4.489
130 HA HIS 16 HA HIS 16 -5.897 2.922 5.839
131 HB2 HIS 16 HB2 HIS 16 -4.321 4.824 5.709
132 HB3 HIS 16 HB1 HIS 16 -3.709 3.521 6.722
133 HD1 HIS 16 HD1 HIS 16 -2.922 5.509 3.729
134 HD2 HIS 16 HD2 HIS 16 -1.575 2.011 5.524
135 HE1 HIS 16 HE1 HIS 16 -0.703 5.012 2.653
136 HE2 HIS 16 HE2 HIS 16 0.094 2.890 3.755
137 H SER 17 HN SER 17 -5.725 5.206 4.441
138 HA SER 17 HA SER 17 -6.603 6.184 2.577
139 HB2 SER 17 HB1 SER 17 -5.352 5.809 0.518
140 HB3 SER 17 HB2 SER 17 -4.243 5.866 1.886
141 HG SER 17 HG SER 17 -3.829 4.120 0.424
142 H THR 18 HN THR 18 -7.973 3.799 3.564
143 HA THR 18 HA THR 18 -8.912 2.359 1.252
144 HB THR 18 HB THR 18 -10.258 2.370 3.948
145 HG1 THR 18 HG1 THR 18 -7.717 1.753 3.502
146 HG21 THR 18 HG21 THR 18 -10.765 0.039 3.352
147 HG22 THR 18 HG22 THR 18 -9.920 0.253 1.819
148 HG23 THR 18 HG23 THR 18 -11.391 1.167 2.149
149 H SER 19 HN SER 19 -9.208 5.224 1.162
150 HA SER 19 HA SER 19 -11.982 5.848 1.609
151 HB2 SER 19 HB2 SER 19 -10.069 7.500 1.805
152 HB3 SER 19 HB1 SER 19 -9.959 7.460 0.045
153 HG SER 19 HG SER 19 -11.296 9.130 0.485
154 H ILE 20 HN ILE 20 -11.021 3.723 -0.369
155 HA ILE 20 HA ILE 20 -12.042 4.757 -2.891
156 HB ILE 20 HB ILE 20 -10.076 3.326 -2.981
157 HG12 ILE 20 HG11 ILE 20 -12.491 1.883 -4.102
158 HG13 ILE 20 HG12 ILE 20 -11.728 3.285 -4.846
159 HG21 ILE 20 HG21 ILE 20 -10.494 2.001 -0.978
160 HG22 ILE 20 HG22 ILE 20 -10.187 0.962 -2.368
161 HG23 ILE 20 HG23 ILE 20 -11.835 1.188 -1.784
162 HD11 ILE 20 HD11 ILE 20 -11.031 1.236 -5.928
163 HD12 ILE 20 HD12 ILE 20 -10.436 0.608 -4.391
164 HD13 ILE 20 HD13 ILE 20 -9.666 2.013 -5.127
165 H GLY 21 HN GLY 21 -13.953 4.197 -3.825
166 HA2 GLY 21 HA1 GLY 21 -15.672 2.296 -2.368
167 HA3 GLY 21 HA2 GLY 21 -16.280 3.882 -2.812
168 H LYS 22 HN LYS 22 -14.126 2.605 -5.088
169 HA LYS 22 HA LYS 22 -14.377 1.876 -7.226
170 HB2 LYS 22 HB2 LYS 22 -16.747 0.416 -6.047
171 HB3 LYS 22 HB1 LYS 22 -16.022 0.078 -7.613
172 HG2 LYS 22 HG1 LYS 22 -13.934 -0.551 -6.520
173 HG3 LYS 22 HG2 LYS 22 -14.650 -0.200 -4.946
174 HD2 LYS 22 HD2 LYS 22 -16.335 -1.933 -5.325
175 HD3 LYS 22 HD1 LYS 22 -15.621 -2.283 -6.901
176 HE2 LYS 22 HE1 LYS 22 -14.890 -3.896 -5.221
177 HE3 LYS 22 HE2 LYS 22 -13.536 -2.940 -5.824
178 HZ1 LYS 22 HZ1 LYS 22 -13.664 -1.567 -3.846
179 HZ2 LYS 22 HZ2 LYS 22 -13.452 -3.190 -3.423
180 HZ3 LYS 22 HZ3 LYS 22 -14.974 -2.469 -3.269
Start of MODEL 6
1 H1 ACE 0 HA1 ACE 0 11.237 -2.592 -9.111
2 H2 ACE 0 HA2 ACE 0 12.536 -1.916 -8.131
3 H3 ACE 0 HA3 ACE 0 12.538 -1.626 -9.869
4 H MET 1 HN MET 1 10.387 -1.209 -7.062
5 HA MET 1 HA MET 1 10.006 1.576 -7.798
6 HB2 MET 1 HB2 MET 1 7.544 1.400 -7.734
7 HB3 MET 1 HB1 MET 1 8.244 0.485 -9.063
8 HG2 MET 1 HG2 MET 1 8.003 -1.575 -7.773
9 HG3 MET 1 HG1 MET 1 7.298 -0.657 -6.443
10 HE1 MET 1 HE1 MET 1 4.961 0.578 -6.570
11 HE2 MET 1 HE2 MET 1 3.951 0.621 -8.015
12 HE3 MET 1 HE3 MET 1 5.498 1.467 -7.995
13 H ASP 2 HN ASP 2 11.101 -0.142 -5.572
14 HA ASP 2 HA ASP 2 9.879 1.371 -3.404
15 HB2 ASP 2 HB1 ASP 2 10.127 -1.644 -3.350
16 HB3 ASP 2 HB2 ASP 2 9.700 -0.643 -1.966
17 H TRP 3 HN TRP 3 11.301 1.878 -1.777
18 HA TRP 3 HA TRP 3 13.306 2.210 -0.744
19 HB2 TRP 3 HB2 TRP 3 13.196 -0.176 -0.231
20 HB3 TRP 3 HB1 TRP 3 13.875 -0.557 -1.807
21 HD1 TRP 3 HD1 TRP 3 16.366 -1.190 -1.646
22 HE1 TRP 3 HE1 TRP 3 18.342 -0.537 -0.128
23 HE3 TRP 3 HE3 TRP 3 13.979 2.117 1.321
24 HZ2 TRP 3 HZ2 TRP 3 18.809 1.191 2.073
25 HZ3 TRP 3 HZ3 TRP 3 15.223 3.257 3.130
26 HH2 TRP 3 HH2 TRP 3 17.599 2.796 3.492
27 H GLY 4 HN GLY 4 15.680 2.444 -1.151
28 HA2 GLY 4 HA1 GLY 4 16.201 3.814 -3.512
29 HA3 GLY 4 HA2 GLY 4 17.422 3.160 -2.426
30 H THR 5 HN THR 5 16.011 0.477 -2.936
31 HA THR 5 HA THR 5 16.185 -0.347 -5.566
32 HB THR 5 HB THR 5 18.512 0.163 -5.670
33 HG1 THR 5 HG1 THR 5 17.641 -2.209 -6.062
34 HG21 THR 5 HG21 THR 5 18.826 -1.363 -3.081
35 HG22 THR 5 HG22 THR 5 18.974 0.381 -3.287
36 HG23 THR 5 HG23 THR 5 20.146 -0.698 -4.043
37 H LEU 6 HN LEU 6 14.356 -1.235 -4.279
38 HA LEU 6 HA LEU 6 14.924 -3.969 -3.468
39 HB2 LEU 6 HB1 LEU 6 15.064 -2.278 -1.481
40 HB3 LEU 6 HB2 LEU 6 13.318 -2.256 -1.604
41 HG LEU 6 HG LEU 6 14.126 -4.976 -1.484
42 HD11 LEU 6 HD21 LEU 6 15.259 -4.956 0.716
43 HD12 LEU 6 HD22 LEU 6 15.412 -3.200 0.592
44 HD13 LEU 6 HD23 LEU 6 16.243 -4.245 -0.564
45 HD21 LEU 6 HD11 LEU 6 12.870 -4.851 0.663
46 HD22 LEU 6 HD12 LEU 6 12.005 -4.151 -0.705
47 HD23 LEU 6 HD13 LEU 6 12.797 -3.098 0.467
48 H GLN 7 HN GLN 7 12.482 -4.605 -2.373
49 HA GLN 7 HA GLN 7 10.422 -3.533 -4.087
50 HB2 GLN 7 HB1 GLN 7 10.714 -5.213 -5.574
51 HB3 GLN 7 HB2 GLN 7 11.634 -6.185 -4.437
52 HG2 GLN 7 HG1 GLN 7 9.747 -7.456 -4.899
53 HG3 GLN 7 HG2 GLN 7 9.411 -6.720 -3.336
54 HE21 GLN 7 HE21 GLN 7 7.257 -4.252 -5.234
55 HE22 GLN 7 HE22 GLN 7 8.808 -4.100 -4.493
56 H THR 8 HN THR 8 11.103 -6.107 -1.696
57 HA THR 8 HA THR 8 8.473 -6.067 -0.645
58 HB THR 8 HB THR 8 9.703 -8.043 -0.196
59 HG1 THR 8 HG1 THR 8 8.481 -6.948 1.642
60 HG21 THR 8 HG21 THR 8 11.805 -6.324 1.129
61 HG22 THR 8 HG22 THR 8 11.956 -7.106 -0.445
62 HG23 THR 8 HG23 THR 8 11.824 -8.085 1.016
63 H ILE 9 HN ILE 9 7.916 -3.993 -0.309
64 HA ILE 9 HA ILE 9 8.806 -2.820 2.174
65 HB ILE 9 HB ILE 9 9.539 -1.856 -0.486
66 HG12 ILE 9 HG12 ILE 9 11.154 -2.572 1.223
67 HG13 ILE 9 HG11 ILE 9 11.432 -0.910 0.709
68 HG21 ILE 9 HG21 ILE 9 8.483 0.078 1.572
69 HG22 ILE 9 HG22 ILE 9 7.899 -0.169 -0.076
70 HG23 ILE 9 HG23 ILE 9 9.488 0.543 0.199
71 HD11 ILE 9 HD11 ILE 9 10.342 -0.102 2.736
72 HD12 ILE 9 HD12 ILE 9 11.707 -1.156 3.109
73 HD13 ILE 9 HD13 ILE 9 10.059 -1.766 3.248
74 H LEU 10 HN LEU 10 6.834 -2.528 -0.706
75 HA LEU 10 HA LEU 10 4.435 -2.160 0.764
76 HB2 LEU 10 HB2 LEU 10 5.184 0.063 1.112
77 HB3 LEU 10 HB1 LEU 10 5.737 0.218 -0.539
78 HG LEU 10 HG LEU 10 3.625 1.485 0.144
79 HD11 LEU 10 HD21 LEU 10 3.373 -0.319 -2.247
80 HD12 LEU 10 HD22 LEU 10 4.426 1.091 -2.181
81 HD13 LEU 10 HD23 LEU 10 2.679 1.289 -2.030
82 HD21 LEU 10 HD11 LEU 10 2.545 -0.348 1.350
83 HD22 LEU 10 HD12 LEU 10 2.404 -1.252 -0.156
84 HD23 LEU 10 HD13 LEU 10 1.533 0.268 0.044
85 H GLY 11 HN GLY 11 2.943 -3.147 -0.414
86 HA2 GLY 11 HA2 GLY 11 3.071 -2.907 -3.350
87 HA3 GLY 11 HA1 GLY 11 2.878 -4.482 -2.595
88 H ARG 12 HN ARG 12 1.411 -1.280 -2.065
89 HA ARG 12 HA ARG 12 -0.750 -0.615 -1.858
90 HB2 ARG 12 HB2 ARG 12 -0.781 -1.287 -4.245
91 HB3 ARG 12 HB1 ARG 12 -1.299 -2.897 -3.764
92 HG2 ARG 12 HG2 ARG 12 -3.349 -1.958 -2.821
93 HG3 ARG 12 HG1 ARG 12 -2.830 -0.344 -3.312
94 HD2 ARG 12 HD2 ARG 12 -2.830 -1.055 -5.651
95 HD3 ARG 12 HD1 ARG 12 -3.343 -2.669 -5.163
96 HE ARG 12 HE ARG 12 -5.195 -0.854 -4.150
97 HH11 ARG 12 HH11 ARG 12 -5.580 -1.715 -8.042
98 HH12 ARG 12 HH12 ARG 12 -4.068 -1.992 -7.245
99 HH21 ARG 12 HH21 ARG 12 -7.191 -0.488 -5.191
100 HH22 ARG 12 HH22 ARG 12 -7.356 -0.861 -6.875
101 H VAL 13 HN VAL 13 -0.529 -1.431 0.377
102 HA VAL 13 HA VAL 13 -2.186 -3.807 0.887
103 HB VAL 13 HB VAL 13 0.044 -3.936 1.862
104 HG11 VAL 13 HG21 VAL 13 0.750 -2.383 3.621
105 HG12 VAL 13 HG22 VAL 13 -0.705 -1.423 3.353
106 HG13 VAL 13 HG23 VAL 13 0.509 -1.558 2.080
107 HG21 VAL 13 HG11 VAL 13 -1.795 -4.996 3.059
108 HG22 VAL 13 HG12 VAL 13 -2.090 -3.503 3.950
109 HG23 VAL 13 HG13 VAL 13 -0.582 -4.387 4.185
110 H ASN 14 HN ASN 14 -3.984 -3.697 2.164
111 HA ASN 14 HA ASN 14 -5.099 -1.053 2.582
112 HB2 ASN 14 HB1 ASN 14 -7.169 -2.264 3.156
113 HB3 ASN 14 HB2 ASN 14 -6.519 -2.784 1.605
114 HD21 ASN 14 HD21 ASN 14 -6.796 -5.349 4.731
115 HD22 ASN 14 HD22 ASN 14 -7.092 -3.657 4.913
116 H LYS 15 HN LYS 15 -6.338 -0.676 4.663
117 HA LYS 15 HA LYS 15 -4.564 -1.327 6.901
118 HB2 LYS 15 HB1 LYS 15 -5.011 1.053 6.456
119 HB3 LYS 15 HB2 LYS 15 -6.731 0.771 6.685
120 HG2 LYS 15 HG2 LYS 15 -6.315 0.134 9.009
121 HG3 LYS 15 HG1 LYS 15 -4.591 0.434 8.776
122 HD2 LYS 15 HD1 LYS 15 -5.077 2.780 8.257
123 HD3 LYS 15 HD2 LYS 15 -6.797 2.475 8.510
124 HE2 LYS 15 HE1 LYS 15 -6.342 1.857 10.834
125 HE3 LYS 15 HE2 LYS 15 -4.626 2.169 10.580
126 HZ1 LYS 15 HZ1 LYS 15 -5.153 4.482 10.113
127 HZ2 LYS 15 HZ2 LYS 15 -5.708 4.040 11.649
128 HZ3 LYS 15 HZ3 LYS 15 -6.799 4.181 10.365
129 H HIS 16 HN HIS 16 -5.266 -2.309 8.754
130 HA HIS 16 HA HIS 16 -7.836 -3.687 8.562
131 HB2 HIS 16 HB1 HIS 16 -5.652 -4.901 9.055
132 HB3 HIS 16 HB2 HIS 16 -5.682 -4.123 10.634
133 HD1 HIS 16 HD1 HIS 16 -7.213 -5.105 12.396
134 HD2 HIS 16 HD2 HIS 16 -7.722 -6.829 8.649
135 HE1 HIS 16 HE1 HIS 16 -8.686 -7.107 12.772
136 HE2 HIS 16 HE2 HIS 16 -8.983 -8.136 10.491
137 H SER 17 HN SER 17 -8.938 -4.041 10.784
138 HA SER 17 HA SER 17 -9.667 -1.459 11.778
139 HB2 SER 17 HB2 SER 17 -11.222 -2.715 13.237
140 HB3 SER 17 HB1 SER 17 -11.341 -3.231 11.555
141 HG SER 17 HG SER 17 -11.256 -5.044 12.868
142 H THR 18 HN THR 18 -6.950 -3.012 12.342
143 HA THR 18 HA THR 18 -6.852 -2.948 15.225
144 HB THR 18 HB THR 18 -4.473 -3.115 13.370
145 HG1 THR 18 HG1 THR 18 -6.475 -4.985 13.908
146 HG21 THR 18 HG21 THR 18 -3.975 -2.797 15.743
147 HG22 THR 18 HG22 THR 18 -3.505 -4.414 15.219
148 HG23 THR 18 HG23 THR 18 -4.985 -4.183 16.151
149 H SER 19 HN SER 19 -7.726 -0.533 14.402
150 HA SER 19 HA SER 19 -5.567 1.353 14.128
151 HB2 SER 19 HB1 SER 19 -7.281 3.024 13.991
152 HB3 SER 19 HB2 SER 19 -7.859 1.618 13.092
153 HG SER 19 HG SER 19 -9.504 2.346 14.419
154 H ILE 20 HN ILE 20 -5.872 -0.396 16.577
155 HA ILE 20 HA ILE 20 -5.474 -0.248 18.810
156 HB ILE 20 HB ILE 20 -4.846 2.652 18.242
157 HG12 ILE 20 HG11 ILE 20 -2.981 0.271 18.369
158 HG13 ILE 20 HG12 ILE 20 -3.526 1.034 16.878
159 HG21 ILE 20 HG21 ILE 20 -5.213 2.213 20.605
160 HG22 ILE 20 HG22 ILE 20 -3.506 2.525 20.292
161 HG23 ILE 20 HG23 ILE 20 -4.068 0.872 20.549
162 HD11 ILE 20 HD11 ILE 20 -1.883 2.338 19.034
163 HD12 ILE 20 HD12 ILE 20 -2.439 3.115 17.551
164 HD13 ILE 20 HD13 ILE 20 -1.299 1.772 17.469
165 H GLY 21 HN GLY 21 -7.366 -0.578 19.828
166 HA2 GLY 21 HA2 GLY 21 -8.662 1.551 21.146
167 HA3 GLY 21 HA1 GLY 21 -9.617 1.083 19.747
168 H LYS 22 HN LYS 22 -8.233 -1.702 20.428
169 HA LYS 22 HA LYS 22 -9.678 -2.493 22.785
170 HB2 LYS 22 HB1 LYS 22 -10.973 -4.277 21.495
171 HB3 LYS 22 HB2 LYS 22 -11.563 -2.625 21.383
172 HG2 LYS 22 HG1 LYS 22 -10.476 -2.382 19.206
173 HG3 LYS 22 HG2 LYS 22 -9.893 -4.044 19.317
174 HD2 LYS 22 HD2 LYS 22 -12.199 -4.853 19.390
175 HD3 LYS 22 HD1 LYS 22 -12.787 -3.191 19.293
176 HE2 LYS 22 HE1 LYS 22 -11.137 -4.609 17.204
177 HE3 LYS 22 HE2 LYS 22 -12.871 -4.300 17.115
178 HZ1 LYS 22 HZ1 LYS 22 -11.622 -2.673 15.848
179 HZ2 LYS 22 HZ2 LYS 22 -10.752 -2.224 17.227
180 HZ3 LYS 22 HZ3 LYS 22 -12.415 -1.928 17.144
Start of MODEL 7
1 H1 ACE 0 HA1 ACE 0 12.148 -0.660 -6.910
2 H2 ACE 0 HA2 ACE 0 13.441 0.520 -7.106
3 H3 ACE 0 HA3 ACE 0 12.618 -0.090 -8.540
4 H MET 1 HN MET 1 10.220 0.090 -6.430
5 HA MET 1 HA MET 1 9.600 2.887 -7.116
6 HB2 MET 1 HB1 MET 1 7.698 0.559 -6.788
7 HB3 MET 1 HB2 MET 1 7.222 2.218 -7.121
8 HG2 MET 1 HG2 MET 1 8.881 0.462 -8.916
9 HG3 MET 1 HG1 MET 1 7.176 0.854 -9.131
10 HE1 MET 1 HE1 MET 1 7.660 1.645 -11.621
11 HE2 MET 1 HE2 MET 1 9.366 1.251 -11.412
12 HE3 MET 1 HE3 MET 1 8.898 2.828 -12.045
13 H ASP 2 HN ASP 2 10.839 1.531 -4.676
14 HA ASP 2 HA ASP 2 9.320 3.047 -2.724
15 HB2 ASP 2 HB1 ASP 2 9.819 0.090 -2.409
16 HB3 ASP 2 HB2 ASP 2 9.258 1.148 -1.119
17 H TRP 3 HN TRP 3 11.469 0.505 -1.861
18 HA TRP 3 HA TRP 3 13.191 2.027 -0.318
19 HB2 TRP 3 HB2 TRP 3 13.136 -0.388 -0.126
20 HB3 TRP 3 HB1 TRP 3 13.703 -0.562 -1.780
21 HD1 TRP 3 HD1 TRP 3 16.208 -1.136 -1.932
22 HE1 TRP 3 HE1 TRP 3 18.283 -0.746 -0.455
23 HE3 TRP 3 HE3 TRP 3 14.028 1.542 1.740
24 HZ2 TRP 3 HZ2 TRP 3 18.897 0.557 1.989
25 HZ3 TRP 3 HZ3 TRP 3 15.390 2.350 3.641
26 HH2 TRP 3 HH2 TRP 3 17.783 1.860 3.755
27 H GLY 4 HN GLY 4 15.551 2.377 -0.725
28 HA2 GLY 4 HA1 GLY 4 16.050 4.105 -2.805
29 HA3 GLY 4 HA2 GLY 4 17.292 3.201 -1.945
30 H THR 5 HN THR 5 15.829 0.704 -2.870
31 HA THR 5 HA THR 5 15.755 0.398 -5.609
32 HB THR 5 HB THR 5 18.066 0.938 -5.836
33 HG1 THR 5 HG1 THR 5 17.241 -1.117 -6.815
34 HG21 THR 5 HG21 THR 5 18.633 -1.055 -3.638
35 HG22 THR 5 HG22 THR 5 18.733 0.699 -3.493
36 HG23 THR 5 HG23 THR 5 19.844 -0.162 -4.559
37 H LEU 6 HN LEU 6 14.044 -0.750 -4.406
38 HA LEU 6 HA LEU 6 14.669 -3.576 -4.148
39 HB2 LEU 6 HB1 LEU 6 14.987 -2.298 -1.904
40 HB3 LEU 6 HB2 LEU 6 13.238 -2.229 -1.883
41 HG LEU 6 HG LEU 6 14.013 -4.936 -2.318
42 HD11 LEU 6 HD21 LEU 6 15.235 -5.307 -0.197
43 HD12 LEU 6 HD22 LEU 6 15.397 -3.557 -0.017
44 HD13 LEU 6 HD23 LEU 6 16.171 -4.383 -1.372
45 HD21 LEU 6 HD11 LEU 6 12.864 -5.182 -0.107
46 HD22 LEU 6 HD12 LEU 6 11.934 -4.299 -1.318
47 HD23 LEU 6 HD13 LEU 6 12.762 -3.421 -0.032
48 H GLN 7 HN GLN 7 12.349 -4.484 -3.063
49 HA GLN 7 HA GLN 7 10.143 -3.108 -4.319
50 HB2 GLN 7 HB2 GLN 7 11.200 -5.735 -5.232
51 HB3 GLN 7 HB1 GLN 7 9.454 -5.513 -5.216
52 HG2 GLN 7 HG2 GLN 7 11.406 -3.697 -6.608
53 HG3 GLN 7 HG1 GLN 7 10.484 -4.982 -7.390
54 HE21 GLN 7 HE21 GLN 7 10.237 -1.924 -5.682
55 HE22 GLN 7 HE22 GLN 7 8.689 -1.482 -6.307
56 H THR 8 HN THR 8 11.069 -6.064 -2.534
57 HA THR 8 HA THR 8 8.509 -6.357 -1.354
58 HB THR 8 HB THR 8 9.850 -8.315 -1.338
59 HG1 THR 8 HG1 THR 8 8.807 -7.416 0.835
60 HG21 THR 8 HG21 THR 8 12.038 -8.463 -0.272
61 HG22 THR 8 HG22 THR 8 11.948 -6.761 0.179
62 HG23 THR 8 HG23 THR 8 12.042 -7.218 -1.522
63 H ILE 9 HN ILE 9 7.913 -4.382 -0.648
64 HA ILE 9 HA ILE 9 8.916 -3.613 1.952
65 HB ILE 9 HB ILE 9 9.422 -2.183 -0.547
66 HG12 ILE 9 HG12 ILE 9 11.178 -3.091 0.917
67 HG13 ILE 9 HG11 ILE 9 11.358 -1.357 0.667
68 HG21 ILE 9 HG21 ILE 9 9.325 0.067 0.524
69 HG22 ILE 9 HG22 ILE 9 8.441 -0.663 1.866
70 HG23 ILE 9 HG23 ILE 9 7.749 -0.671 0.242
71 HD11 ILE 9 HD11 ILE 9 10.198 -2.677 3.111
72 HD12 ILE 9 HD12 ILE 9 10.381 -0.941 2.864
73 HD13 ILE 9 HD13 ILE 9 11.808 -1.972 2.972
74 H LEU 10 HN LEU 10 6.677 -3.119 -0.678
75 HA LEU 10 HA LEU 10 4.549 -2.543 1.251
76 HB2 LEU 10 HB1 LEU 10 5.678 -0.623 -0.466
77 HB3 LEU 10 HB2 LEU 10 4.136 -1.043 -1.167
78 HG LEU 10 HG LEU 10 4.076 0.932 0.365
79 HD11 LEU 10 HD11 LEU 10 2.068 -0.370 -0.154
80 HD12 LEU 10 HD12 LEU 10 2.026 0.275 1.487
81 HD13 LEU 10 HD13 LEU 10 2.405 -1.427 1.217
82 HD21 LEU 10 HD21 LEU 10 5.685 0.136 2.018
83 HD22 LEU 10 HD22 LEU 10 4.568 -1.145 2.490
84 HD23 LEU 10 HD23 LEU 10 4.139 0.544 2.766
85 H GLY 11 HN GLY 11 2.386 -2.743 0.293
86 HA2 GLY 11 HA2 GLY 11 2.137 -4.111 -2.218
87 HA3 GLY 11 HA1 GLY 11 1.829 -5.144 -0.826
88 H ARG 12 HN ARG 12 1.093 -1.831 -0.482
89 HA ARG 12 HA ARG 12 -0.840 -0.706 -0.117
90 HB2 ARG 12 HB1 ARG 12 -1.890 -2.449 -2.354
91 HB3 ARG 12 HB2 ARG 12 -2.572 -0.921 -1.819
92 HG2 ARG 12 HG1 ARG 12 0.159 -1.275 -3.038
93 HG3 ARG 12 HG2 ARG 12 -1.277 -0.694 -3.884
94 HD2 ARG 12 HD1 ARG 12 -1.406 1.213 -2.359
95 HD3 ARG 12 HD2 ARG 12 0.026 0.632 -1.509
96 HE ARG 12 HE ARG 12 0.502 1.002 -4.300
97 HH11 ARG 12 HH11 ARG 12 1.307 3.963 -1.728
98 HH12 ARG 12 HH12 ARG 12 0.274 2.659 -1.243
99 HH21 ARG 12 HH21 ARG 12 2.209 3.995 -3.831
100 HH22 ARG 12 HH22 ARG 12 1.861 2.715 -4.945
101 H VAL 13 HN VAL 13 -0.385 -3.377 1.204
102 HA VAL 13 HA VAL 13 -3.013 -4.490 1.582
103 HB VAL 13 HB VAL 13 -1.952 -5.920 3.279
104 HG11 VAL 13 HG11 VAL 13 -0.386 -5.705 0.710
105 HG12 VAL 13 HG12 VAL 13 -1.889 -6.599 0.943
106 HG13 VAL 13 HG13 VAL 13 -0.421 -7.109 1.778
107 HG21 VAL 13 HG21 VAL 13 0.538 -4.326 2.671
108 HG22 VAL 13 HG22 VAL 13 0.466 -5.783 3.664
109 HG23 VAL 13 HG23 VAL 13 -0.361 -4.316 4.189
110 H ASN 14 HN ASN 14 -1.470 -1.776 2.751
111 HA ASN 14 HA ASN 14 -2.757 -1.850 5.371
112 HB2 ASN 14 HB2 ASN 14 -0.902 0.198 4.143
113 HB3 ASN 14 HB1 ASN 14 -1.522 0.251 5.790
114 HD21 ASN 14 HD21 ASN 14 1.546 -2.202 4.779
115 HD22 ASN 14 HD22 ASN 14 0.636 -1.343 3.587
116 H LYS 15 HN LYS 15 -3.711 -1.132 2.352
117 HA LYS 15 HA LYS 15 -5.397 1.129 3.200
118 HB2 LYS 15 HB2 LYS 15 -4.602 0.282 0.408
119 HB3 LYS 15 HB1 LYS 15 -5.657 1.634 0.797
120 HG2 LYS 15 HG1 LYS 15 -3.817 2.728 1.981
121 HG3 LYS 15 HG2 LYS 15 -2.759 1.375 1.574
122 HD2 LYS 15 HD1 LYS 15 -3.080 1.844 -0.809
123 HD3 LYS 15 HD2 LYS 15 -4.131 3.202 -0.399
124 HE2 LYS 15 HE1 LYS 15 -2.270 4.286 0.765
125 HE3 LYS 15 HE2 LYS 15 -1.222 2.931 0.349
126 HZ1 LYS 15 HZ1 LYS 15 -0.903 4.778 -1.164
127 HZ2 LYS 15 HZ2 LYS 15 -2.540 4.757 -1.586
128 HZ3 LYS 15 HZ3 LYS 15 -1.547 3.450 -1.992
129 H HIS 16 HN HIS 16 -7.601 1.055 2.880
130 HA HIS 16 HA HIS 16 -8.682 -1.606 2.235
131 HB2 HIS 16 HB2 HIS 16 -10.640 -0.963 3.585
132 HB3 HIS 16 HB1 HIS 16 -9.151 -0.884 4.521
133 HD1 HIS 16 HD1 HIS 16 -11.969 1.174 3.315
134 HD2 HIS 16 HD2 HIS 16 -8.277 1.769 5.129
135 HE1 HIS 16 HE1 HIS 16 -12.009 3.542 4.161
136 HE2 HIS 16 HE2 HIS 16 -9.765 3.881 5.256
137 H SER 17 HN SER 17 -8.388 1.510 1.052
138 HA SER 17 HA SER 17 -10.927 1.530 -0.368
139 HB2 SER 17 HB1 SER 17 -10.056 3.644 0.543
140 HB3 SER 17 HB2 SER 17 -8.614 3.484 -0.459
141 HG SER 17 HG SER 17 -11.017 3.320 -1.809
142 H THR 18 HN THR 18 -8.284 -0.195 -0.793
143 HA THR 18 HA THR 18 -7.381 0.283 -3.397
144 HB THR 18 HB THR 18 -7.586 -2.416 -2.044
145 HG1 THR 18 HG1 THR 18 -5.206 -0.972 -2.008
146 HG21 THR 18 HG21 THR 18 -5.736 -1.387 -4.200
147 HG22 THR 18 HG22 THR 18 -7.039 -2.555 -4.419
148 HG23 THR 18 HG23 THR 18 -5.636 -2.972 -3.435
149 H SER 19 HN SER 19 -10.347 -0.986 -2.257
150 HA SER 19 HA SER 19 -11.143 -2.674 -4.317
151 HB2 SER 19 HB2 SER 19 -12.801 -0.791 -2.624
152 HB3 SER 19 HB1 SER 19 -13.471 -2.063 -3.647
153 HG SER 19 HG SER 19 -11.498 -2.713 -1.764
154 H ILE 20 HN ILE 20 -11.215 -2.277 -6.421
155 HA ILE 20 HA ILE 20 -12.610 0.042 -7.427
156 HB ILE 20 HB ILE 20 -10.364 0.963 -7.145
157 HG12 ILE 20 HG11 ILE 20 -10.966 0.423 -10.062
158 HG13 ILE 20 HG12 ILE 20 -11.772 1.645 -9.083
159 HG21 ILE 20 HG21 ILE 20 -9.468 -1.264 -8.971
160 HG22 ILE 20 HG22 ILE 20 -9.101 -1.119 -7.252
161 HG23 ILE 20 HG23 ILE 20 -8.463 0.065 -8.393
162 HD11 ILE 20 HD11 ILE 20 -9.640 2.791 -8.766
163 HD12 ILE 20 HD12 ILE 20 -10.055 2.635 -10.474
164 HD13 ILE 20 HD13 ILE 20 -8.842 1.572 -9.761
165 H GLY 21 HN GLY 21 -13.429 -0.266 -9.471
166 HA2 GLY 21 HA2 GLY 21 -13.139 -1.409 -11.659
167 HA3 GLY 21 HA1 GLY 21 -12.780 -2.859 -10.735
168 H LYS 22 HN LYS 22 -14.836 -2.448 -8.754
169 HA LYS 22 HA LYS 22 -17.218 -2.939 -10.415
170 HB2 LYS 22 HB2 LYS 22 -17.962 -4.402 -8.462
171 HB3 LYS 22 HB1 LYS 22 -16.663 -5.022 -9.471
172 HG2 LYS 22 HG2 LYS 22 -15.024 -4.306 -7.807
173 HG3 LYS 22 HG1 LYS 22 -16.328 -3.685 -6.793
174 HD2 LYS 22 HD1 LYS 22 -15.679 -5.848 -5.974
175 HD3 LYS 22 HD2 LYS 22 -17.281 -5.975 -6.703
176 HE2 LYS 22 HE1 LYS 22 -16.282 -6.874 -8.746
177 HE3 LYS 22 HE2 LYS 22 -14.679 -6.740 -8.023
178 HZ1 LYS 22 HZ1 LYS 22 -16.892 -8.448 -7.020
179 HZ2 LYS 22 HZ2 LYS 22 -15.358 -8.318 -6.320
180 HZ3 LYS 22 HZ3 LYS 22 -15.528 -8.990 -7.863
Start of MODEL 8
1 H1 ACE 0 HA1 ACE 0 10.347 0.639 -10.065
2 H2 ACE 0 HA2 ACE 0 9.278 -0.402 -9.130
3 H3 ACE 0 HA3 ACE 0 10.756 -1.083 -9.805
4 H MET 1 HN MET 1 10.738 2.115 -8.471
5 HA MET 1 HA MET 1 12.547 1.196 -6.365
6 HB2 MET 1 HB2 MET 1 11.931 3.990 -7.342
7 HB3 MET 1 HB1 MET 1 13.125 3.583 -6.119
8 HG2 MET 1 HG1 MET 1 14.374 2.288 -7.773
9 HG3 MET 1 HG2 MET 1 13.181 2.712 -8.999
10 HE1 MET 1 HE1 MET 1 16.316 3.196 -9.358
11 HE2 MET 1 HE2 MET 1 16.313 4.807 -10.075
12 HE3 MET 1 HE3 MET 1 15.114 3.615 -10.578
13 H ASP 2 HN ASP 2 11.977 1.115 -4.293
14 HA ASP 2 HA ASP 2 9.864 2.827 -3.263
15 HB2 ASP 2 HB2 ASP 2 8.660 0.875 -2.248
16 HB3 ASP 2 HB1 ASP 2 8.541 0.961 -4.003
17 H TRP 3 HN TRP 3 12.796 2.121 -2.965
18 HA TRP 3 HA TRP 3 12.985 2.542 -0.157
19 HB2 TRP 3 HB2 TRP 3 12.645 0.204 0.131
20 HB3 TRP 3 HB1 TRP 3 13.654 -0.186 -1.259
21 HD1 TRP 3 HD1 TRP 3 15.729 -1.437 -0.295
22 HE1 TRP 3 HE1 TRP 3 17.390 -1.008 1.628
23 HE3 TRP 3 HE3 TRP 3 13.562 2.660 1.655
24 HZ2 TRP 3 HZ2 TRP 3 17.719 0.879 3.727
25 HZ3 TRP 3 HZ3 TRP 3 14.572 3.767 3.630
26 HH2 TRP 3 HH2 TRP 3 16.619 2.884 4.639
27 H GLY 4 HN GLY 4 14.539 1.374 -3.052
28 HA2 GLY 4 HA1 GLY 4 16.334 3.148 -3.728
29 HA3 GLY 4 HA2 GLY 4 17.078 2.545 -2.241
30 H THR 5 HN THR 5 15.604 -0.033 -2.967
31 HA THR 5 HA THR 5 16.445 -1.232 -5.282
32 HB THR 5 HB THR 5 18.765 -0.800 -4.614
33 HG1 THR 5 HG1 THR 5 18.197 -2.830 -5.656
34 HG21 THR 5 HG21 THR 5 18.451 -0.686 -2.195
35 HG22 THR 5 HG22 THR 5 19.711 -1.850 -2.606
36 HG23 THR 5 HG23 THR 5 18.103 -2.415 -2.148
37 H LEU 6 HN LEU 6 14.349 -1.222 -3.374
38 HA LEU 6 HA LEU 6 14.281 -4.057 -2.551
39 HB2 LEU 6 HB1 LEU 6 14.480 -2.196 -0.754
40 HB3 LEU 6 HB2 LEU 6 12.798 -1.877 -1.117
41 HG LEU 6 HG LEU 6 13.147 -4.681 -0.605
42 HD11 LEU 6 HD21 LEU 6 15.121 -4.078 0.657
43 HD12 LEU 6 HD22 LEU 6 13.817 -4.495 1.769
44 HD13 LEU 6 HD23 LEU 6 14.234 -2.802 1.493
45 HD21 LEU 6 HD11 LEU 6 11.050 -3.506 -0.392
46 HD22 LEU 6 HD12 LEU 6 11.735 -2.437 0.834
47 HD23 LEU 6 HD13 LEU 6 11.514 -4.153 1.182
48 H GLN 7 HN GLN 7 11.766 -4.398 -1.835
49 HA GLN 7 HA GLN 7 9.990 -3.154 -3.742
50 HB2 GLN 7 HB2 GLN 7 10.706 -6.065 -3.801
51 HB3 GLN 7 HB1 GLN 7 9.110 -5.539 -4.318
52 HG2 GLN 7 HG2 GLN 7 11.601 -4.332 -5.462
53 HG3 GLN 7 HG1 GLN 7 10.928 -5.835 -6.090
54 HE21 GLN 7 HE21 GLN 7 8.252 -2.785 -6.358
55 HE22 GLN 7 HE22 GLN 7 8.923 -3.255 -4.841
56 H THR 8 HN THR 8 10.286 -5.645 -1.212
57 HA THR 8 HA THR 8 7.553 -5.534 -0.490
58 HB THR 8 HB THR 8 8.710 -7.475 0.233
59 HG1 THR 8 HG1 THR 8 7.379 -6.039 1.900
60 HG21 THR 8 HG21 THR 8 10.981 -6.535 0.214
61 HG22 THR 8 HG22 THR 8 10.663 -7.437 1.694
62 HG23 THR 8 HG23 THR 8 10.631 -5.674 1.713
63 H ILE 9 HN ILE 9 6.990 -3.437 -0.376
64 HA ILE 9 HA ILE 9 7.579 -2.098 2.116
65 HB ILE 9 HB ILE 9 8.606 -1.312 -0.506
66 HG12 ILE 9 HG12 ILE 9 10.011 -1.891 1.433
67 HG13 ILE 9 HG11 ILE 9 10.355 -0.277 0.821
68 HG21 ILE 9 HG21 ILE 9 7.310 0.749 1.273
69 HG22 ILE 9 HG22 ILE 9 6.931 0.384 -0.412
70 HG23 ILE 9 HG23 ILE 9 8.473 1.132 0.003
71 HD11 ILE 9 HD11 ILE 9 10.348 -0.342 3.255
72 HD12 ILE 9 HD12 ILE 9 8.681 -0.917 3.240
73 HD13 ILE 9 HD13 ILE 9 9.063 0.696 2.638
74 H LEU 10 HN LEU 10 5.886 -2.159 -0.940
75 HA LEU 10 HA LEU 10 3.486 -1.133 0.384
76 HB2 LEU 10 HB1 LEU 10 5.031 0.357 -1.436
77 HB3 LEU 10 HB2 LEU 10 3.627 -0.176 -2.332
78 HG LEU 10 HG LEU 10 3.361 2.069 -1.297
79 HD11 LEU 10 HD11 LEU 10 1.135 1.667 -0.380
80 HD12 LEU 10 HD12 LEU 10 1.494 -0.055 -0.253
81 HD13 LEU 10 HD13 LEU 10 1.409 0.714 -1.838
82 HD21 LEU 10 HD21 LEU 10 4.659 1.637 0.740
83 HD22 LEU 10 HD22 LEU 10 3.397 0.540 1.298
84 HD23 LEU 10 HD23 LEU 10 3.048 2.257 1.098
85 H GLY 11 HN GLY 11 2.060 -0.999 -2.134
86 HA2 GLY 11 HA2 GLY 11 1.771 -2.715 -3.947
87 HA3 GLY 11 HA1 GLY 11 1.805 -3.891 -2.643
88 H ARG 12 HN ARG 12 0.348 -1.022 -1.720
89 HA ARG 12 HA ARG 12 -1.771 -0.471 -1.126
90 HB2 ARG 12 HB1 ARG 12 -2.412 -1.854 -3.738
91 HB3 ARG 12 HB2 ARG 12 -3.514 -0.809 -2.852
92 HG2 ARG 12 HG1 ARG 12 -1.974 1.067 -3.150
93 HG3 ARG 12 HG2 ARG 12 -0.878 0.017 -4.051
94 HD2 ARG 12 HD2 ARG 12 -3.711 0.702 -4.826
95 HD3 ARG 12 HD1 ARG 12 -2.251 1.372 -5.551
96 HE ARG 12 HE ARG 12 -2.180 -1.436 -5.723
97 HH11 ARG 12 HH11 ARG 12 -4.185 0.532 -8.577
98 HH12 ARG 12 HH12 ARG 12 -3.852 1.311 -7.066
99 HH21 ARG 12 HH21 ARG 12 -3.480 -1.616 -8.942
100 HH22 ARG 12 HH22 ARG 12 -2.613 -2.468 -7.709
101 H VAL 13 HN VAL 13 -0.666 -3.184 -0.419
102 HA VAL 13 HA VAL 13 -3.191 -4.636 -0.012
103 HB VAL 13 HB VAL 13 -1.481 -5.961 -1.120
104 HG11 VAL 13 HG21 VAL 13 0.626 -6.520 0.002
105 HG12 VAL 13 HG22 VAL 13 0.221 -5.408 1.308
106 HG13 VAL 13 HG23 VAL 13 0.496 -4.791 -0.321
107 HG21 VAL 13 HG11 VAL 13 -1.879 -6.823 1.743
108 HG22 VAL 13 HG12 VAL 13 -1.405 -7.871 0.406
109 HG23 VAL 13 HG13 VAL 13 -2.995 -7.108 0.407
110 H ASN 14 HN ASN 14 -0.417 -3.249 1.637
111 HA ASN 14 HA ASN 14 -1.593 -3.969 4.230
112 HB2 ASN 14 HB2 ASN 14 1.178 -2.953 3.570
113 HB3 ASN 14 HB1 ASN 14 0.607 -3.375 5.181
114 HD21 ASN 14 HD21 ASN 14 -0.947 -5.646 4.212
115 HD22 ASN 14 HD22 ASN 14 0.199 -6.887 3.849
116 H LYS 15 HN LYS 15 -2.891 -2.476 5.057
117 HA LYS 15 HA LYS 15 -1.983 0.222 5.413
118 HB2 LYS 15 HB1 LYS 15 -2.851 0.367 3.123
119 HB3 LYS 15 HB2 LYS 15 -4.396 -0.277 3.662
120 HG2 LYS 15 HG1 LYS 15 -4.719 1.690 5.080
121 HG3 LYS 15 HG2 LYS 15 -3.173 2.337 4.525
122 HD2 LYS 15 HD1 LYS 15 -5.508 1.699 2.723
123 HD3 LYS 15 HD2 LYS 15 -5.138 3.306 3.352
124 HE2 LYS 15 HE2 LYS 15 -2.952 3.228 2.243
125 HE3 LYS 15 HE1 LYS 15 -3.341 1.633 1.600
126 HZ1 LYS 15 HZ1 LYS 15 -4.819 4.140 1.006
127 HZ2 LYS 15 HZ2 LYS 15 -5.188 2.609 0.389
128 HZ3 LYS 15 HZ3 LYS 15 -3.735 3.362 -0.035
129 H HIS 16 HN HIS 16 -2.570 0.711 7.411
130 HA HIS 16 HA HIS 16 -4.994 -0.528 8.520
131 HB2 HIS 16 HB1 HIS 16 -2.903 -1.035 9.714
132 HB3 HIS 16 HB2 HIS 16 -2.624 0.687 9.956
133 HD1 HIS 16 HD1 HIS 16 -3.709 1.760 11.950
134 HD2 HIS 16 HD2 HIS 16 -5.155 -2.064 11.203
135 HE1 HIS 16 HE1 HIS 16 -5.150 1.187 13.930
136 HE2 HIS 16 HE2 HIS 16 -6.016 -1.131 13.457
137 H SER 17 HN SER 17 -6.628 0.681 9.326
138 HA SER 17 HA SER 17 -8.021 2.475 9.488
139 HB2 SER 17 HB2 SER 17 -7.188 4.328 10.844
140 HB3 SER 17 HB1 SER 17 -6.610 2.796 11.497
141 HG SER 17 HG SER 17 -4.603 3.212 10.723
142 H THR 18 HN THR 18 -7.556 5.236 9.284
143 HA THR 18 HA THR 18 -7.515 6.914 7.746
144 HB THR 18 HB THR 18 -5.488 5.340 6.165
145 HG1 THR 18 HG1 THR 18 -5.092 6.821 8.569
146 HG21 THR 18 HG21 THR 18 -5.881 8.291 6.682
147 HG22 THR 18 HG22 THR 18 -6.229 7.437 5.178
148 HG23 THR 18 HG23 THR 18 -4.565 7.591 5.740
149 H SER 19 HN SER 19 -8.935 4.167 7.297
150 HA SER 19 HA SER 19 -9.397 4.260 4.430
151 HB2 SER 19 HB2 SER 19 -10.426 2.432 6.608
152 HB3 SER 19 HB1 SER 19 -10.894 2.290 4.913
153 HG SER 19 HG SER 19 -8.284 2.411 4.922
154 H ILE 20 HN ILE 20 -10.281 6.377 6.418
155 HA ILE 20 HA ILE 20 -13.115 6.428 5.609
156 HB ILE 20 HB ILE 20 -13.611 7.707 7.664
157 HG12 ILE 20 HG12 ILE 20 -10.810 6.927 8.505
158 HG13 ILE 20 HG11 ILE 20 -11.295 8.551 8.029
159 HG21 ILE 20 HG21 ILE 20 -12.371 5.000 8.144
160 HG22 ILE 20 HG22 ILE 20 -14.014 5.305 7.582
161 HG23 ILE 20 HG23 ILE 20 -13.529 5.805 9.202
162 HD11 ILE 20 HD11 ILE 20 -11.189 8.342 10.439
163 HD12 ILE 20 HD12 ILE 20 -12.350 7.014 10.391
164 HD13 ILE 20 HD13 ILE 20 -12.844 8.639 9.912
165 H GLY 21 HN GLY 21 -13.999 8.468 5.093
166 HA2 GLY 21 HA1 GLY 21 -13.689 10.901 4.995
167 HA3 GLY 21 HA2 GLY 21 -11.994 10.594 4.655
168 H LYS 22 HN LYS 22 -12.223 8.584 2.749
169 HA LYS 22 HA LYS 22 -12.395 8.313 0.499
170 HB2 LYS 22 HB1 LYS 22 -15.029 9.739 0.914
171 HB3 LYS 22 HB2 LYS 22 -14.576 8.842 -0.529
172 HG2 LYS 22 HG1 LYS 22 -14.440 6.789 0.782
173 HG3 LYS 22 HG2 LYS 22 -14.882 7.686 2.236
174 HD2 LYS 22 HD2 LYS 22 -17.027 8.280 1.218
175 HD3 LYS 22 HD1 LYS 22 -16.586 7.384 -0.238
176 HE2 LYS 22 HE1 LYS 22 -16.907 6.223 2.528
177 HE3 LYS 22 HE2 LYS 22 -18.062 6.075 1.203
178 HZ1 LYS 22 HZ1 LYS 22 -16.400 4.873 -0.068
179 HZ2 LYS 22 HZ2 LYS 22 -16.692 4.100 1.407
180 HZ3 LYS 22 HZ3 LYS 22 -15.287 5.019 1.199
Start of MODEL 9
1 H1 ACE 0 HA1 ACE 0 6.206 -0.704 -8.748
2 H2 ACE 0 HA2 ACE 0 6.046 -1.457 -7.162
3 H3 ACE 0 HA3 ACE 0 7.599 -1.535 -7.991
4 H MET 1 HN MET 1 9.028 0.060 -7.742
5 HA MET 1 HA MET 1 10.038 1.895 -6.865
6 HB2 MET 1 HB1 MET 1 8.562 3.086 -8.415
7 HB3 MET 1 HB2 MET 1 7.288 3.105 -7.203
8 HG2 MET 1 HG1 MET 1 8.398 5.253 -7.332
9 HG3 MET 1 HG2 MET 1 8.666 4.502 -5.761
10 HE1 MET 1 HE1 MET 1 10.647 6.217 -5.277
11 HE2 MET 1 HE2 MET 1 10.366 6.968 -6.848
12 HE3 MET 1 HE3 MET 1 11.997 6.481 -6.381
13 H ASP 2 HN ASP 2 10.576 1.242 -4.834
14 HA ASP 2 HA ASP 2 9.228 2.488 -2.651
15 HB2 ASP 2 HB2 ASP 2 8.651 0.439 -1.410
16 HB3 ASP 2 HB1 ASP 2 7.732 0.569 -2.907
17 H TRP 3 HN TRP 3 10.351 2.129 -0.595
18 HA TRP 3 HA TRP 3 12.225 1.986 0.691
19 HB2 TRP 3 HB2 TRP 3 12.413 -0.339 0.400
20 HB3 TRP 3 HB1 TRP 3 12.812 -0.186 -1.309
21 HD1 TRP 3 HD1 TRP 3 15.283 -0.823 -1.709
22 HE1 TRP 3 HE1 TRP 3 17.497 -0.538 -0.424
23 HE3 TRP 3 HE3 TRP 3 13.493 1.547 2.368
24 HZ2 TRP 3 HZ2 TRP 3 18.360 0.575 2.037
25 HZ3 TRP 3 HZ3 TRP 3 15.045 2.213 4.176
26 HH2 TRP 3 HH2 TRP 3 17.437 1.733 4.004
27 H GLY 4 HN GLY 4 13.654 1.300 -2.421
28 HA2 GLY 4 HA1 GLY 4 14.616 3.758 -3.184
29 HA3 GLY 4 HA2 GLY 4 15.800 3.105 -2.046
30 H THR 5 HN THR 5 14.933 0.376 -2.870
31 HA THR 5 HA THR 5 15.419 -0.091 -5.600
32 HB THR 5 HB THR 5 17.715 0.596 -5.065
33 HG1 THR 5 HG1 THR 5 17.409 -1.128 -6.564
34 HG21 THR 5 HG21 THR 5 17.725 0.069 -2.680
35 HG22 THR 5 HG22 THR 5 19.078 -0.712 -3.499
36 HG23 THR 5 HG23 THR 5 17.656 -1.654 -3.051
37 H LEU 6 HN LEU 6 13.804 -0.847 -3.220
38 HA LEU 6 HA LEU 6 14.243 -3.767 -3.186
39 HB2 LEU 6 HB1 LEU 6 14.285 -2.278 -1.027
40 HB3 LEU 6 HB2 LEU 6 12.542 -2.309 -1.192
41 HG LEU 6 HG LEU 6 13.392 -4.989 -1.381
42 HD11 LEU 6 HD21 LEU 6 14.619 -5.267 0.735
43 HD12 LEU 6 HD22 LEU 6 14.753 -3.513 0.871
44 HD13 LEU 6 HD23 LEU 6 15.545 -4.358 -0.460
45 HD21 LEU 6 HD11 LEU 6 12.153 -3.417 0.874
46 HD22 LEU 6 HD12 LEU 6 12.204 -5.178 0.779
47 HD23 LEU 6 HD13 LEU 6 11.301 -4.257 -0.424
48 H GLN 7 HN GLN 7 11.796 -4.545 -2.196
49 HA GLN 7 HA GLN 7 9.765 -3.414 -3.917
50 HB2 GLN 7 HB2 GLN 7 10.278 -5.059 -5.427
51 HB3 GLN 7 HB1 GLN 7 10.963 -6.114 -4.202
52 HG2 GLN 7 HG1 GLN 7 9.041 -7.190 -5.032
53 HG3 GLN 7 HG2 GLN 7 8.637 -6.577 -3.429
54 HE21 GLN 7 HE21 GLN 7 7.117 -4.968 -3.218
55 HE22 GLN 7 HE22 GLN 7 6.116 -4.440 -4.521
56 H THR 8 HN THR 8 10.276 -6.213 -1.736
57 HA THR 8 HA THR 8 7.663 -6.138 -0.703
58 HB THR 8 HB THR 8 8.841 -8.166 -0.358
59 HG1 THR 8 HG1 THR 8 7.706 -6.966 1.600
60 HG21 THR 8 HG21 THR 8 10.928 -8.326 0.916
61 HG22 THR 8 HG22 THR 8 10.946 -6.574 1.110
62 HG23 THR 8 HG23 THR 8 11.119 -7.285 -0.494
63 H ILE 9 HN ILE 9 7.115 -4.103 -0.217
64 HA ILE 9 HA ILE 9 7.957 -3.112 2.353
65 HB ILE 9 HB ILE 9 8.789 -1.964 -0.213
66 HG12 ILE 9 HG12 ILE 9 10.364 -2.884 1.426
67 HG13 ILE 9 HG11 ILE 9 10.690 -1.185 1.097
68 HG21 ILE 9 HG21 ILE 9 7.779 -0.185 2.001
69 HG22 ILE 9 HG22 ILE 9 7.205 -0.262 0.334
70 HG23 ILE 9 HG23 ILE 9 8.816 0.362 0.683
71 HD11 ILE 9 HD11 ILE 9 10.926 -1.686 3.458
72 HD12 ILE 9 HD12 ILE 9 9.265 -2.276 3.514
73 HD13 ILE 9 HD13 ILE 9 9.584 -0.573 3.186
74 H LEU 10 HN LEU 10 6.056 -2.713 -0.545
75 HA LEU 10 HA LEU 10 3.839 -1.687 1.074
76 HB2 LEU 10 HB1 LEU 10 5.252 -0.215 -0.813
77 HB3 LEU 10 HB2 LEU 10 3.784 -0.695 -1.640
78 HG LEU 10 HG LEU 10 3.566 1.511 -0.586
79 HD11 LEU 10 HD11 LEU 10 1.464 1.103 0.585
80 HD12 LEU 10 HD12 LEU 10 1.858 -0.612 0.703
81 HD13 LEU 10 HD13 LEU 10 1.582 0.123 -0.877
82 HD21 LEU 10 HD21 LEU 10 3.497 1.698 1.852
83 HD22 LEU 10 HD22 LEU 10 5.086 1.183 1.283
84 HD23 LEU 10 HD23 LEU 10 3.979 0.008 1.993
85 H GLY 11 HN GLY 11 4.116 -2.276 -2.349
86 HA2 GLY 11 HA2 GLY 11 3.015 -3.701 -3.768
87 HA3 GLY 11 HA1 GLY 11 2.882 -4.809 -2.409
88 H ARG 12 HN ARG 12 1.602 -1.649 -2.022
89 HA ARG 12 HA ARG 12 -0.500 -0.855 -1.704
90 HB2 ARG 12 HB1 ARG 12 -1.213 -2.862 -3.852
91 HB3 ARG 12 HB2 ARG 12 -2.210 -1.507 -3.339
92 HG2 ARG 12 HG2 ARG 12 -0.520 0.056 -4.133
93 HG3 ARG 12 HG1 ARG 12 0.507 -1.294 -4.622
94 HD2 ARG 12 HD1 ARG 12 -1.249 -2.043 -6.172
95 HD3 ARG 12 HD2 ARG 12 -2.232 -0.656 -5.708
96 HE ARG 12 HE ARG 12 0.196 0.358 -6.550
97 HH11 ARG 12 HH11 ARG 12 -2.406 -1.515 -7.914
98 HH12 ARG 12 HH12 ARG 12 -2.164 -0.920 -9.523
99 HH21 ARG 12 HH21 ARG 12 0.523 1.146 -8.665
100 HH22 ARG 12 HH22 ARG 12 -0.498 0.593 -9.950
101 H VAL 13 HN VAL 13 0.456 -3.353 -0.295
102 HA VAL 13 HA VAL 13 -2.053 -4.716 0.288
103 HB VAL 13 HB VAL 13 0.692 -5.222 1.442
104 HG11 VAL 13 HG11 VAL 13 -1.097 -6.051 2.863
105 HG12 VAL 13 HG12 VAL 13 -0.249 -7.395 2.098
106 HG13 VAL 13 HG13 VAL 13 -1.825 -6.885 1.491
107 HG21 VAL 13 HG21 VAL 13 0.701 -5.575 -0.960
108 HG22 VAL 13 HG22 VAL 13 -0.735 -6.592 -0.835
109 HG23 VAL 13 HG23 VAL 13 0.787 -7.121 -0.114
110 H ASN 14 HN ASN 14 -3.289 -3.291 1.449
111 HA ASN 14 HA ASN 14 -4.053 -2.103 3.230
112 HB2 ASN 14 HB1 ASN 14 -2.011 -3.769 4.718
113 HB3 ASN 14 HB2 ASN 14 -3.321 -2.857 5.463
114 HD21 ASN 14 HD21 ASN 14 -5.438 -3.576 5.239
115 HD22 ASN 14 HD22 ASN 14 -5.810 -5.186 4.735
116 H LYS 15 HN LYS 15 -2.952 -1.009 5.451
117 HA LYS 15 HA LYS 15 -1.824 0.819 6.186
118 HB2 LYS 15 HB1 LYS 15 0.108 -0.687 5.991
119 HB3 LYS 15 HB2 LYS 15 0.325 -0.197 4.317
120 HG2 LYS 15 HG1 LYS 15 0.799 2.084 5.037
121 HG3 LYS 15 HG2 LYS 15 0.563 1.604 6.720
122 HD2 LYS 15 HD2 LYS 15 2.430 0.031 6.531
123 HD3 LYS 15 HD1 LYS 15 2.665 0.511 4.850
124 HE2 LYS 15 HE1 LYS 15 2.915 2.314 7.254
125 HE3 LYS 15 HE2 LYS 15 4.253 1.630 6.334
126 HZ1 LYS 15 HZ1 LYS 15 2.206 3.503 5.274
127 HZ2 LYS 15 HZ2 LYS 15 3.490 2.845 4.389
128 HZ3 LYS 15 HZ3 LYS 15 3.802 3.904 5.671
129 H HIS 16 HN HIS 16 -3.117 2.430 5.388
130 HA HIS 16 HA HIS 16 -3.730 4.240 4.157
131 HB2 HIS 16 HB2 HIS 16 -0.850 4.104 3.241
132 HB3 HIS 16 HB1 HIS 16 -1.921 5.484 3.024
133 HD1 HIS 16 HD1 HIS 16 0.354 3.914 5.439
134 HD2 HIS 16 HD2 HIS 16 -2.629 6.807 5.488
135 HE1 HIS 16 HE1 HIS 16 0.644 5.141 7.616
136 HE2 HIS 16 HE2 HIS 16 -1.172 6.889 7.623
137 H SER 17 HN SER 17 -3.328 5.188 1.708
138 HA SER 17 HA SER 17 -3.338 3.084 -0.271
139 HB2 SER 17 HB1 SER 17 -5.848 4.696 0.257
140 HB3 SER 17 HB2 SER 17 -5.607 3.606 -1.108
141 HG SER 17 HG SER 17 -6.307 3.038 1.451
142 H THR 18 HN THR 18 -2.309 5.932 0.607
143 HA THR 18 HA THR 18 -2.915 7.748 -1.432
144 HB THR 18 HB THR 18 -0.282 7.527 0.042
145 HG1 THR 18 HG1 THR 18 -2.791 8.625 0.767
146 HG21 THR 18 HG21 THR 18 -1.656 9.872 -1.279
147 HG22 THR 18 HG22 THR 18 -0.203 9.057 -1.856
148 HG23 THR 18 HG23 THR 18 -0.165 9.956 -0.340
149 H SER 19 HN SER 19 -1.022 4.898 -1.474
150 HA SER 19 HA SER 19 0.881 5.401 -3.422
151 HB2 SER 19 HB1 SER 19 0.859 3.314 -2.185
152 HB3 SER 19 HB2 SER 19 -0.691 2.866 -2.898
153 HG SER 19 HG SER 19 1.859 2.754 -3.967
154 H ILE 20 HN ILE 20 0.570 6.295 -5.347
155 HA ILE 20 HA ILE 20 -1.939 6.055 -6.747
156 HB ILE 20 HB ILE 20 -0.876 7.479 -8.464
157 HG12 ILE 20 HG12 ILE 20 1.528 7.435 -6.624
158 HG13 ILE 20 HG11 ILE 20 1.433 6.595 -8.168
159 HG21 ILE 20 HG21 ILE 20 -0.536 8.464 -5.634
160 HG22 ILE 20 HG22 ILE 20 -2.029 8.490 -6.573
161 HG23 ILE 20 HG23 ILE 20 -0.656 9.479 -7.071
162 HD11 ILE 20 HD11 ILE 20 1.176 8.736 -9.312
163 HD12 ILE 20 HD12 ILE 20 2.669 8.665 -8.377
164 HD13 ILE 20 HD13 ILE 20 1.286 9.572 -7.764
165 H GLY 21 HN GLY 21 -2.046 5.405 -9.031
166 HA2 GLY 21 HA1 GLY 21 -0.141 4.016 -10.453
167 HA3 GLY 21 HA2 GLY 21 -0.882 2.823 -9.397
168 H LYS 22 HN LYS 22 -3.041 5.278 -10.199
169 HA LYS 22 HA LYS 22 -4.522 3.473 -11.920
170 HB2 LYS 22 HB1 LYS 22 -5.177 6.162 -10.716
171 HB3 LYS 22 HB2 LYS 22 -6.254 5.327 -11.825
172 HG2 LYS 22 HG1 LYS 22 -7.031 4.849 -9.654
173 HG3 LYS 22 HG2 LYS 22 -6.223 3.387 -10.221
174 HD2 LYS 22 HD2 LYS 22 -4.232 3.977 -8.947
175 HD3 LYS 22 HD1 LYS 22 -5.005 5.469 -8.407
176 HE2 LYS 22 HE1 LYS 22 -6.736 4.159 -7.278
177 HE3 LYS 22 HE2 LYS 22 -5.962 2.669 -7.817
178 HZ1 LYS 22 HZ1 LYS 22 -4.000 3.268 -6.541
179 HZ2 LYS 22 HZ2 LYS 22 -5.363 3.200 -5.541
180 HZ3 LYS 22 HZ3 LYS 22 -4.742 4.698 -6.023
Start of MODEL 10
1 H1 ACE 0 HA1 ACE 0 8.049 -1.902 -10.804
2 H2 ACE 0 HA2 ACE 0 9.223 -0.702 -11.337
3 H3 ACE 0 HA3 ACE 0 7.890 -0.191 -10.304
4 H MET 1 HN MET 1 10.644 0.229 -9.763
5 HA MET 1 HA MET 1 11.288 -1.679 -7.651
6 HB2 MET 1 HB1 MET 1 13.419 -0.431 -7.490
7 HB3 MET 1 HB2 MET 1 13.111 -1.042 -9.110
8 HG2 MET 1 HG1 MET 1 12.348 1.175 -9.799
9 HG3 MET 1 HG2 MET 1 12.673 1.786 -8.178
10 HE1 MET 1 HE1 MET 1 14.165 3.726 -9.250
11 HE2 MET 1 HE2 MET 1 13.842 3.086 -10.861
12 HE3 MET 1 HE3 MET 1 15.500 3.423 -10.361
13 H ASP 2 HN ASP 2 11.915 -0.899 -5.513
14 HA ASP 2 HA ASP 2 10.862 1.692 -4.707
15 HB2 ASP 2 HB2 ASP 2 9.841 -0.895 -3.514
16 HB3 ASP 2 HB1 ASP 2 9.476 0.718 -2.911
17 H TRP 3 HN TRP 3 11.386 2.172 -2.407
18 HA TRP 3 HA TRP 3 12.854 2.326 -0.671
19 HB2 TRP 3 HB2 TRP 3 12.414 0.144 0.071
20 HB3 TRP 3 HB1 TRP 3 13.140 -0.588 -1.355
21 HD1 TRP 3 HD1 TRP 3 15.335 -1.790 -0.731
22 HE1 TRP 3 HE1 TRP 3 17.264 -1.371 0.927
23 HE3 TRP 3 HE3 TRP 3 13.628 2.474 1.354
24 HZ2 TRP 3 HZ2 TRP 3 17.959 0.561 2.884
25 HZ3 TRP 3 HZ3 TRP 3 14.955 3.587 3.121
26 HH2 TRP 3 HH2 TRP 3 17.084 2.641 3.866
27 H GLY 4 HN GLY 4 14.616 0.042 -2.640
28 HA2 GLY 4 HA1 GLY 4 16.373 1.723 -3.970
29 HA3 GLY 4 HA2 GLY 4 17.084 1.367 -2.392
30 H THR 5 HN THR 5 15.686 -1.192 -2.306
31 HA THR 5 HA THR 5 16.490 -2.852 -4.474
32 HB THR 5 HB THR 5 18.699 -2.558 -3.426
33 HG1 THR 5 HG1 THR 5 17.686 -4.757 -4.128
34 HG21 THR 5 HG21 THR 5 17.977 -2.043 -1.151
35 HG22 THR 5 HG22 THR 5 19.113 -3.392 -1.153
36 HG23 THR 5 HG23 THR 5 17.387 -3.693 -0.953
37 H LEU 6 HN LEU 6 14.281 -2.087 -2.591
38 HA LEU 6 HA LEU 6 13.578 -4.746 -1.520
39 HB2 LEU 6 HB1 LEU 6 13.801 -2.573 -0.046
40 HB3 LEU 6 HB2 LEU 6 12.215 -2.209 -0.695
41 HG LEU 6 HG LEU 6 12.117 -4.867 0.279
42 HD11 LEU 6 HD21 LEU 6 12.713 -4.493 2.644
43 HD12 LEU 6 HD22 LEU 6 13.407 -2.931 2.201
44 HD13 LEU 6 HD23 LEU 6 14.115 -4.422 1.575
45 HD21 LEU 6 HD11 LEU 6 10.258 -3.297 0.196
46 HD22 LEU 6 HD12 LEU 6 11.050 -2.274 1.394
47 HD23 LEU 6 HD13 LEU 6 10.495 -3.889 1.840
48 H GLN 7 HN GLN 7 10.885 -4.329 -1.138
49 HA GLN 7 HA GLN 7 9.768 -3.411 -3.642
50 HB2 GLN 7 HB2 GLN 7 9.894 -5.569 -4.396
51 HB3 GLN 7 HB1 GLN 7 9.927 -6.244 -2.774
52 HG2 GLN 7 HG1 GLN 7 7.924 -6.968 -3.774
53 HG3 GLN 7 HG2 GLN 7 7.494 -5.720 -2.605
54 HE21 GLN 7 HE21 GLN 7 6.144 -3.528 -4.947
55 HE22 GLN 7 HE22 GLN 7 6.640 -3.795 -3.316
56 H THR 8 HN THR 8 8.804 -5.220 -0.698
57 HA THR 8 HA THR 8 6.260 -4.039 -0.555
58 HB THR 8 HB THR 8 6.544 -6.025 0.712
59 HG1 THR 8 HG1 THR 8 5.576 -3.915 1.789
60 HG21 THR 8 HG21 THR 8 8.976 -5.905 1.003
61 HG22 THR 8 HG22 THR 8 8.164 -6.262 2.528
62 HG23 THR 8 HG23 THR 8 8.769 -4.635 2.210
63 H ILE 9 HN ILE 9 6.383 -1.906 -0.864
64 HA ILE 9 HA ILE 9 7.084 -0.296 1.422
65 HB ILE 9 HB ILE 9 8.664 -0.457 -1.043
66 HG12 ILE 9 HG12 ILE 9 9.534 -1.082 1.163
67 HG13 ILE 9 HG11 ILE 9 10.477 0.218 0.439
68 HG21 ILE 9 HG21 ILE 9 9.350 1.931 -0.937
69 HG22 ILE 9 HG22 ILE 9 8.005 2.225 0.167
70 HG23 ILE 9 HG23 ILE 9 7.692 1.686 -1.484
71 HD11 ILE 9 HD11 ILE 9 8.393 0.527 2.587
72 HD12 ILE 9 HD12 ILE 9 9.322 1.837 1.857
73 HD13 ILE 9 HD13 ILE 9 10.141 0.597 2.807
74 H LEU 10 HN LEU 10 6.147 -0.297 -1.967
75 HA LEU 10 HA LEU 10 3.924 1.506 -1.344
76 HB2 LEU 10 HB1 LEU 10 6.243 2.260 -2.786
77 HB3 LEU 10 HB2 LEU 10 4.931 2.153 -3.935
78 HG LEU 10 HG LEU 10 5.311 4.435 -2.925
79 HD11 LEU 10 HD11 LEU 10 3.231 3.847 -4.038
80 HD12 LEU 10 HD12 LEU 10 2.920 4.887 -2.649
81 HD13 LEU 10 HD13 LEU 10 2.608 3.155 -2.540
82 HD21 LEU 10 HD21 LEU 10 5.760 3.642 -0.626
83 HD22 LEU 10 HD22 LEU 10 4.065 3.167 -0.491
84 HD23 LEU 10 HD23 LEU 10 4.492 4.866 -0.701
85 H GLY 11 HN GLY 11 4.500 -1.399 -2.162
86 HA2 GLY 11 HA2 GLY 11 3.310 -1.657 -4.741
87 HA3 GLY 11 HA1 GLY 11 3.612 -2.968 -3.608
88 H ARG 12 HN ARG 12 1.884 -0.286 -2.405
89 HA ARG 12 HA ARG 12 -0.226 -0.020 -1.624
90 HB2 ARG 12 HB2 ARG 12 -0.712 0.138 -4.036
91 HB3 ARG 12 HB1 ARG 12 -0.953 -1.602 -4.098
92 HG2 ARG 12 HG1 ARG 12 -3.086 -0.514 -4.040
93 HG3 ARG 12 HG2 ARG 12 -2.833 -1.360 -2.511
94 HD2 ARG 12 HD1 ARG 12 -2.165 0.743 -1.457
95 HD3 ARG 12 HD2 ARG 12 -2.410 1.589 -2.983
96 HE ARG 12 HE ARG 12 -4.765 0.216 -2.208
97 HH11 ARG 12 HH11 ARG 12 -4.199 3.952 -0.881
98 HH12 ARG 12 HH12 ARG 12 -2.854 3.038 -1.478
99 HH21 ARG 12 HH21 ARG 12 -6.541 1.413 -1.426
100 HH22 ARG 12 HH22 ARG 12 -6.295 3.029 -0.851
101 H VAL 13 HN VAL 13 0.029 -1.249 0.249
102 HA VAL 13 HA VAL 13 -1.425 -3.795 0.211
103 HB VAL 13 HB VAL 13 0.921 -4.424 0.187
104 HG11 VAL 13 HG21 VAL 13 1.189 -2.722 2.662
105 HG12 VAL 13 HG22 VAL 13 1.881 -2.374 1.077
106 HG13 VAL 13 HG23 VAL 13 2.439 -3.773 1.996
107 HG21 VAL 13 HG11 VAL 13 0.999 -5.762 2.238
108 HG22 VAL 13 HG12 VAL 13 -0.599 -5.803 1.493
109 HG23 VAL 13 HG13 VAL 13 -0.313 -4.798 2.914
110 H ASN 14 HN ASN 14 -2.723 -4.142 1.947
111 HA ASN 14 HA ASN 14 -2.701 -2.083 4.055
112 HB2 ASN 14 HB1 ASN 14 -5.046 -3.606 2.904
113 HB3 ASN 14 HB2 ASN 14 -5.142 -2.510 4.277
114 HD21 ASN 14 HD21 ASN 14 -6.093 -0.107 1.947
115 HD22 ASN 14 HD22 ASN 14 -6.575 -1.149 3.238
116 H LYS 15 HN LYS 15 -4.121 -3.005 6.005
117 HA LYS 15 HA LYS 15 -4.188 -4.394 7.797
118 HB2 LYS 15 HB2 LYS 15 -3.805 -6.437 5.615
119 HB3 LYS 15 HB1 LYS 15 -3.975 -6.893 7.303
120 HG2 LYS 15 HG1 LYS 15 -6.107 -7.113 6.314
121 HG3 LYS 15 HG2 LYS 15 -6.161 -5.660 7.314
122 HD2 LYS 15 HD2 LYS 15 -5.817 -4.275 5.332
123 HD3 LYS 15 HD1 LYS 15 -5.740 -5.724 4.326
124 HE2 LYS 15 HE2 LYS 15 -8.111 -4.814 5.954
125 HE3 LYS 15 HE1 LYS 15 -7.942 -4.676 4.204
126 HZ1 LYS 15 HZ1 LYS 15 -8.013 -7.219 5.737
127 HZ2 LYS 15 HZ2 LYS 15 -7.852 -7.086 4.059
128 HZ3 LYS 15 HZ3 LYS 15 -9.282 -6.587 4.813
129 H HIS 16 HN HIS 16 -1.821 -6.304 5.985
130 HA HIS 16 HA HIS 16 0.357 -6.819 6.365
131 HB2 HIS 16 HB1 HIS 16 0.674 -4.357 6.261
132 HB3 HIS 16 HB2 HIS 16 0.424 -4.275 8.001
133 HD1 HIS 16 HD1 HIS 16 2.418 -4.678 9.465
134 HD2 HIS 16 HD2 HIS 16 3.097 -5.753 5.508
135 HE1 HIS 16 HE1 HIS 16 4.875 -5.194 9.320
136 HE2 HIS 16 HE2 HIS 16 5.265 -5.843 6.917
137 H SER 17 HN SER 17 1.780 -7.718 7.965
138 HA SER 17 HA SER 17 0.380 -8.975 10.093
139 HB2 SER 17 HB2 SER 17 3.352 -8.868 9.518
140 HB3 SER 17 HB1 SER 17 2.574 -9.965 10.658
141 HG SER 17 HG SER 17 1.281 -10.248 8.405
142 H THR 18 HN THR 18 2.247 -9.020 12.168
143 HA THR 18 HA THR 18 2.791 -7.949 14.102
144 HB THR 18 HB THR 18 2.861 -5.342 12.590
145 HG1 THR 18 HG1 THR 18 4.641 -7.542 12.463
146 HG21 THR 18 HG21 THR 18 4.736 -4.884 14.129
147 HG22 THR 18 HG22 THR 18 4.476 -6.453 14.889
148 HG23 THR 18 HG23 THR 18 3.232 -5.208 14.990
149 H SER 19 HN SER 19 -0.020 -7.859 12.769
150 HA SER 19 HA SER 19 -1.342 -5.593 13.846
151 HB2 SER 19 HB2 SER 19 -2.207 -6.984 11.955
152 HB3 SER 19 HB1 SER 19 -2.544 -8.272 13.112
153 HG SER 19 HG SER 19 -3.593 -5.659 13.392
154 H ILE 20 HN ILE 20 -3.008 -5.660 15.530
155 HA ILE 20 HA ILE 20 -2.987 -7.769 17.469
156 HB ILE 20 HB ILE 20 -0.890 -6.695 18.097
157 HG12 ILE 20 HG12 ILE 20 -1.452 -6.139 20.463
158 HG13 ILE 20 HG11 ILE 20 -3.158 -6.142 20.024
159 HG21 ILE 20 HG21 ILE 20 -0.852 -4.376 18.904
160 HG22 ILE 20 HG22 ILE 20 -2.538 -4.190 18.419
161 HG23 ILE 20 HG23 ILE 20 -1.297 -4.478 17.200
162 HD11 ILE 20 HD11 ILE 20 -2.514 -8.224 21.090
163 HD12 ILE 20 HD12 ILE 20 -1.290 -8.494 19.849
164 HD13 ILE 20 HD13 ILE 20 -3.000 -8.496 19.417
165 H GLY 21 HN GLY 21 -4.763 -7.695 18.782
166 HA2 GLY 21 HA1 GLY 21 -6.274 -5.946 19.937
167 HA3 GLY 21 HA2 GLY 21 -6.616 -5.467 18.282
168 H LYS 22 HN LYS 22 -6.061 -8.805 18.776
169 HA LYS 22 HA LYS 22 -7.392 -10.636 18.582
170 HB2 LYS 22 HB2 LYS 22 -8.131 -9.911 20.815
171 HB3 LYS 22 HB1 LYS 22 -9.368 -8.903 20.078
172 HG2 LYS 22 HG1 LYS 22 -10.442 -10.896 19.155
173 HG3 LYS 22 HG2 LYS 22 -9.203 -11.906 19.903
174 HD2 LYS 22 HD1 LYS 22 -9.893 -11.113 22.114
175 HD3 LYS 22 HD2 LYS 22 -11.134 -10.106 21.365
176 HE2 LYS 22 HE2 LYS 22 -10.970 -13.114 21.219
177 HE3 LYS 22 HE1 LYS 22 -12.074 -12.188 22.235
178 HZ1 LYS 22 HZ1 LYS 22 -13.159 -12.948 20.219
179 HZ2 LYS 22 HZ2 LYS 22 -12.014 -12.149 19.266
180 HZ3 LYS 22 HZ3 LYS 22 -13.072 -11.258 20.239
Start of MODEL 11
1 H1 ACE 0 HA1 ACE 0 6.866 -4.516 -10.111
2 H2 ACE 0 HA2 ACE 0 7.388 -5.740 -8.955
3 H3 ACE 0 HA3 ACE 0 8.277 -5.558 -10.466
4 H MET 1 HN MET 1 7.516 -2.525 -9.755
5 HA MET 1 HA MET 1 10.111 -2.044 -8.505
6 HB2 MET 1 HB2 MET 1 9.553 -0.812 -10.561
7 HB3 MET 1 HB1 MET 1 8.154 -0.111 -9.761
8 HG2 MET 1 HG1 MET 1 9.988 1.466 -9.842
9 HG3 MET 1 HG2 MET 1 9.617 1.023 -8.177
10 HE1 MET 1 HE1 MET 1 11.946 2.053 -7.395
11 HE2 MET 1 HE2 MET 1 12.310 2.489 -9.066
12 HE3 MET 1 HE3 MET 1 13.497 1.605 -8.107
13 H ASP 2 HN ASP 2 10.265 -1.690 -6.400
14 HA ASP 2 HA ASP 2 8.182 -0.194 -5.013
15 HB2 ASP 2 HB2 ASP 2 9.108 -2.923 -4.090
16 HB3 ASP 2 HB1 ASP 2 8.038 -1.849 -3.194
17 H TRP 3 HN TRP 3 8.882 0.714 -3.009
18 HA TRP 3 HA TRP 3 10.364 1.712 -1.591
19 HB2 TRP 3 HB2 TRP 3 11.254 -0.317 -0.818
20 HB3 TRP 3 HB1 TRP 3 11.974 -0.704 -2.377
21 HD1 TRP 3 HD1 TRP 3 14.534 -0.535 -2.254
22 HE1 TRP 3 HE1 TRP 3 16.241 0.956 -1.028
23 HE3 TRP 3 HE3 TRP 3 11.299 2.412 0.243
24 HZ2 TRP 3 HZ2 TRP 3 16.189 3.137 0.787
25 HZ3 TRP 3 HZ3 TRP 3 12.160 4.199 1.720
26 HH2 TRP 3 HH2 TRP 3 14.567 4.550 1.979
27 H GLY 4 HN GLY 4 12.585 0.440 -3.963
28 HA2 GLY 4 HA1 GLY 4 13.012 2.597 -5.605
29 HA3 GLY 4 HA2 GLY 4 14.037 2.859 -4.190
30 H THR 5 HN THR 5 14.115 -0.104 -3.848
31 HA THR 5 HA THR 5 15.311 -1.392 -6.034
32 HB THR 5 HB THR 5 17.164 0.178 -5.663
33 HG1 THR 5 HG1 THR 5 17.425 -2.271 -6.024
34 HG21 THR 5 HG21 THR 5 16.786 0.654 -3.294
35 HG22 THR 5 HG22 THR 5 18.445 0.124 -3.572
36 HG23 THR 5 HG23 THR 5 17.269 -0.991 -2.879
37 H LEU 6 HN LEU 6 13.453 -1.687 -3.755
38 HA LEU 6 HA LEU 6 14.631 -4.048 -2.428
39 HB2 LEU 6 HB1 LEU 6 13.881 -1.875 -1.122
40 HB3 LEU 6 HB2 LEU 6 12.287 -2.578 -1.296
41 HG LEU 6 HG LEU 6 13.941 -4.634 -0.306
42 HD11 LEU 6 HD21 LEU 6 14.386 -2.013 1.120
43 HD12 LEU 6 HD22 LEU 6 15.610 -2.988 0.304
44 HD13 LEU 6 HD23 LEU 6 14.817 -3.602 1.755
45 HD21 LEU 6 HD11 LEU 6 11.970 -2.846 1.113
46 HD22 LEU 6 HD12 LEU 6 12.509 -4.436 1.658
47 HD23 LEU 6 HD13 LEU 6 11.568 -4.283 0.175
48 H GLN 7 HN GLN 7 12.320 -5.044 -1.307
49 HA GLN 7 HA GLN 7 10.398 -5.392 -3.453
50 HB2 GLN 7 HB2 GLN 7 11.816 -7.717 -2.135
51 HB3 GLN 7 HB1 GLN 7 10.453 -7.860 -3.235
52 HG2 GLN 7 HG1 GLN 7 12.042 -8.167 -4.775
53 HG3 GLN 7 HG2 GLN 7 12.149 -6.408 -4.747
54 HE21 GLN 7 HE21 GLN 7 14.988 -6.926 -2.275
55 HE22 GLN 7 HE22 GLN 7 13.343 -6.462 -2.037
56 H THR 8 HN THR 8 11.221 -6.712 -0.235
57 HA THR 8 HA THR 8 8.431 -6.767 0.508
58 HB THR 8 HB THR 8 9.753 -8.548 1.396
59 HG1 THR 8 HG1 THR 8 8.507 -6.747 2.974
60 HG21 THR 8 HG21 THR 8 11.954 -7.478 1.288
61 HG22 THR 8 HG22 THR 8 11.666 -8.169 2.885
62 HG23 THR 8 HG23 THR 8 11.517 -6.430 2.638
63 H ILE 9 HN ILE 9 8.609 -4.326 -0.081
64 HA ILE 9 HA ILE 9 9.158 -2.774 2.333
65 HB ILE 9 HB ILE 9 10.590 -1.949 0.708
66 HG12 ILE 9 HG11 ILE 9 9.700 0.228 -0.015
67 HG13 ILE 9 HG12 ILE 9 8.074 -0.329 0.381
68 HG21 ILE 9 HG21 ILE 9 8.354 -2.281 -1.266
69 HG22 ILE 9 HG22 ILE 9 9.824 -3.246 -1.147
70 HG23 ILE 9 HG23 ILE 9 9.915 -1.555 -1.637
71 HD11 ILE 9 HD11 ILE 9 8.693 -0.491 2.730
72 HD12 ILE 9 HD12 ILE 9 8.973 1.136 2.108
73 HD13 ILE 9 HD13 ILE 9 10.331 0.034 2.339
74 H LEU 10 HN LEU 10 7.088 -2.963 -0.488
75 HA LEU 10 HA LEU 10 4.936 -2.481 -0.909
76 HB2 LEU 10 HB1 LEU 10 4.882 -2.951 2.036
77 HB3 LEU 10 HB2 LEU 10 3.430 -2.578 1.136
78 HG LEU 10 HG LEU 10 5.060 -4.802 0.083
79 HD11 LEU 10 HD21 LEU 10 4.134 -6.384 1.733
80 HD12 LEU 10 HD22 LEU 10 3.555 -5.014 2.682
81 HD13 LEU 10 HD23 LEU 10 5.286 -5.248 2.434
82 HD21 LEU 10 HD11 LEU 10 2.851 -5.790 -0.258
83 HD22 LEU 10 HD12 LEU 10 2.947 -4.166 -0.939
84 HD23 LEU 10 HD13 LEU 10 2.112 -4.432 0.592
85 H GLY 11 HN GLY 11 3.577 -0.719 -1.096
86 HA2 GLY 11 HA2 GLY 11 4.701 1.725 -0.000
87 HA3 GLY 11 HA1 GLY 11 3.502 1.628 -1.285
88 H ARG 12 HN ARG 12 3.318 -0.012 1.819
89 HA ARG 12 HA ARG 12 1.815 0.075 3.517
90 HB2 ARG 12 HB1 ARG 12 1.691 2.994 2.738
91 HB3 ARG 12 HB2 ARG 12 1.008 2.319 4.211
92 HG2 ARG 12 HG1 ARG 12 3.926 2.242 3.472
93 HG3 ARG 12 HG2 ARG 12 3.184 3.414 4.563
94 HD2 ARG 12 HD2 ARG 12 3.257 0.425 4.954
95 HD3 ARG 12 HD1 ARG 12 4.255 1.604 5.804
96 HE ARG 12 HE ARG 12 1.636 2.354 6.245
97 HH11 ARG 12 HH11 ARG 12 3.630 -0.430 6.888
98 HH12 ARG 12 HH12 ARG 12 2.764 -0.879 8.320
99 HH21 ARG 12 HH21 ARG 12 0.981 0.372 9.025
100 HH22 ARG 12 HH22 ARG 12 0.492 1.771 8.128
101 H VAL 13 HN VAL 13 0.948 -0.319 0.657
102 HA VAL 13 HA VAL 13 -1.645 0.782 0.345
103 HB VAL 13 HB VAL 13 -1.961 -0.887 -1.421
104 HG11 VAL 13 HG11 VAL 13 -0.086 -0.225 -2.854
105 HG12 VAL 13 HG12 VAL 13 0.785 0.362 -1.436
106 HG13 VAL 13 HG13 VAL 13 -0.717 1.142 -1.934
107 HG21 VAL 13 HG21 VAL 13 0.660 -2.022 -0.454
108 HG22 VAL 13 HG22 VAL 13 -0.178 -2.501 -1.931
109 HG23 VAL 13 HG23 VAL 13 -0.918 -2.802 -0.359
110 H ASN 14 HN ASN 14 -3.499 -0.971 -0.099
111 HA ASN 14 HA ASN 14 -4.250 -1.923 2.465
112 HB2 ASN 14 HB2 ASN 14 -5.445 -2.311 -0.279
113 HB3 ASN 14 HB1 ASN 14 -6.171 -2.979 1.178
114 HD21 ASN 14 HD21 ASN 14 -5.912 1.073 1.345
115 HD22 ASN 14 HD22 ASN 14 -4.511 0.093 1.108
116 H LYS 15 HN LYS 15 -5.123 -4.243 2.695
117 HA LYS 15 HA LYS 15 -2.896 -6.021 2.298
118 HB2 LYS 15 HB2 LYS 15 -5.618 -6.527 3.514
119 HB3 LYS 15 HB1 LYS 15 -4.256 -7.637 3.573
120 HG2 LYS 15 HG2 LYS 15 -4.288 -4.877 4.776
121 HG3 LYS 15 HG1 LYS 15 -4.559 -6.378 5.661
122 HD2 LYS 15 HD2 LYS 15 -2.318 -7.147 5.046
123 HD3 LYS 15 HD1 LYS 15 -2.047 -5.646 4.158
124 HE2 LYS 15 HE2 LYS 15 -1.001 -5.563 6.357
125 HE3 LYS 15 HE1 LYS 15 -2.294 -4.372 6.225
126 HZ1 LYS 15 HZ1 LYS 15 -3.754 -5.879 7.427
127 HZ2 LYS 15 HZ2 LYS 15 -2.378 -5.519 8.341
128 HZ3 LYS 15 HZ3 LYS 15 -2.507 -7.015 7.561
129 H HIS 16 HN HIS 16 -6.368 -6.433 1.586
130 HA HIS 16 HA HIS 16 -5.602 -8.075 -0.732
131 HB2 HIS 16 HB2 HIS 16 -8.196 -8.038 0.825
132 HB3 HIS 16 HB1 HIS 16 -7.853 -9.073 -0.557
133 HD1 HIS 16 HD1 HIS 16 -6.614 -11.220 -0.117
134 HD2 HIS 16 HD2 HIS 16 -6.673 -8.690 3.179
135 HE1 HIS 16 HE1 HIS 16 -5.692 -12.577 1.789
136 HE2 HIS 16 HE2 HIS 16 -5.736 -11.026 3.774
137 H SER 17 HN SER 17 -6.070 -7.388 -2.721
138 HA SER 17 HA SER 17 -8.135 -5.327 -3.064
139 HB2 SER 17 HB2 SER 17 -5.369 -5.256 -4.300
140 HB3 SER 17 HB1 SER 17 -6.676 -4.129 -4.662
141 HG SER 17 HG SER 17 -5.809 -3.044 -3.075
142 H THR 18 HN THR 18 -7.545 -8.332 -3.673
143 HA THR 18 HA THR 18 -7.798 -8.443 -6.546
144 HB THR 18 HB THR 18 -8.307 -10.747 -4.670
145 HG1 THR 18 HG1 THR 18 -5.817 -9.640 -5.497
146 HG21 THR 18 HG21 THR 18 -7.157 -10.569 -7.458
147 HG22 THR 18 HG22 THR 18 -8.778 -11.122 -7.036
148 HG23 THR 18 HG23 THR 18 -7.368 -12.054 -6.531
149 H SER 19 HN SER 19 -9.806 -6.929 -5.162
150 HA SER 19 HA SER 19 -12.221 -8.486 -5.073
151 HB2 SER 19 HB1 SER 19 -13.300 -6.462 -4.410
152 HB3 SER 19 HB2 SER 19 -11.716 -6.454 -3.633
153 HG SER 19 HG SER 19 -12.648 -4.922 -5.792
154 H ILE 20 HN ILE 20 -10.561 -8.053 -7.617
155 HA ILE 20 HA ILE 20 -12.688 -6.948 -9.322
156 HB ILE 20 HB ILE 20 -10.965 -6.789 -11.087
157 HG12 ILE 20 HG12 ILE 20 -9.032 -7.570 -8.891
158 HG13 ILE 20 HG11 ILE 20 -9.511 -8.616 -10.223
159 HG21 ILE 20 HG21 ILE 20 -9.749 -4.899 -10.114
160 HG22 ILE 20 HG22 ILE 20 -10.251 -5.408 -8.502
161 HG23 ILE 20 HG23 ILE 20 -11.456 -4.868 -9.672
162 HD11 ILE 20 HD11 ILE 20 -8.531 -7.041 -11.809
163 HD12 ILE 20 HD12 ILE 20 -7.346 -7.614 -10.635
164 HD13 ILE 20 HD13 ILE 20 -8.043 -6.002 -10.470
165 H GLY 21 HN GLY 21 -12.697 -8.009 -11.585
166 HA2 GLY 21 HA1 GLY 21 -11.966 -10.382 -12.447
167 HA3 GLY 21 HA2 GLY 21 -13.032 -10.884 -11.143
168 H LYS 22 HN LYS 22 -14.435 -8.156 -12.050
169 HA LYS 22 HA LYS 22 -16.336 -9.542 -13.763
170 HB2 LYS 22 HB1 LYS 22 -16.448 -6.789 -12.516
171 HB3 LYS 22 HB2 LYS 22 -17.755 -7.550 -13.413
172 HG2 LYS 22 HG1 LYS 22 -17.881 -9.319 -11.732
173 HG3 LYS 22 HG2 LYS 22 -16.569 -8.555 -10.833
174 HD2 LYS 22 HD2 LYS 22 -17.943 -6.552 -10.532
175 HD3 LYS 22 HD1 LYS 22 -19.254 -7.315 -11.432
176 HE2 LYS 22 HE1 LYS 22 -19.634 -7.475 -9.030
177 HE3 LYS 22 HE2 LYS 22 -19.403 -9.070 -9.744
178 HZ1 LYS 22 HZ1 LYS 22 -18.188 -8.848 -7.671
179 HZ2 LYS 22 HZ2 LYS 22 -17.338 -7.518 -8.279
180 HZ3 LYS 22 HZ3 LYS 22 -17.115 -9.047 -8.964
Start of MODEL 12
1 H1 ACE 0 HA1 ACE 0 8.473 -2.010 -10.677
2 H2 ACE 0 HA2 ACE 0 7.262 -0.864 -10.109
3 H3 ACE 0 HA3 ACE 0 7.365 -2.445 -9.340
4 H MET 1 HN MET 1 8.085 0.705 -8.921
5 HA MET 1 HA MET 1 10.611 0.255 -7.520
6 HB2 MET 1 HB1 MET 1 9.084 2.810 -8.053
7 HB3 MET 1 HB2 MET 1 10.654 2.713 -7.268
8 HG2 MET 1 HG2 MET 1 11.621 1.782 -9.304
9 HG3 MET 1 HG1 MET 1 10.047 1.868 -10.092
10 HE1 MET 1 HE1 MET 1 11.647 4.476 -7.611
11 HE2 MET 1 HE2 MET 1 12.449 5.569 -8.739
12 HE3 MET 1 HE3 MET 1 13.023 3.912 -8.559
13 H ASP 2 HN ASP 2 10.748 0.045 -5.381
14 HA ASP 2 HA ASP 2 8.677 1.138 -3.650
15 HB2 ASP 2 HB2 ASP 2 9.386 -1.804 -3.659
16 HB3 ASP 2 HB1 ASP 2 8.367 -1.010 -2.463
17 H TRP 3 HN TRP 3 9.315 1.219 -1.410
18 HA TRP 3 HA TRP 3 10.786 1.593 0.292
19 HB2 TRP 3 HB2 TRP 3 11.439 -0.683 0.298
20 HB3 TRP 3 HB1 TRP 3 12.288 -0.529 -1.235
21 HD1 TRP 3 HD1 TRP 3 14.822 -0.796 -0.797
22 HE1 TRP 3 HE1 TRP 3 16.477 0.031 1.000
23 HE3 TRP 3 HE3 TRP 3 11.550 1.597 2.190
24 HZ2 TRP 3 HZ2 TRP 3 16.374 1.533 3.408
25 HZ3 TRP 3 HZ3 TRP 3 12.357 2.726 4.242
26 HH2 TRP 3 HH2 TRP 3 14.731 2.690 4.831
27 H GLY 4 HN GLY 4 13.147 0.958 -2.189
28 HA2 GLY 4 HA1 GLY 4 13.755 3.572 -2.972
29 HA3 GLY 4 HA2 GLY 4 14.784 3.137 -1.603
30 H THR 5 HN THR 5 14.729 0.344 -2.257
31 HA THR 5 HA THR 5 15.804 -0.077 -4.885
32 HB THR 5 HB THR 5 17.662 -0.672 -2.578
33 HG1 THR 5 HG1 THR 5 17.708 1.612 -4.288
34 HG21 THR 5 HG21 THR 5 18.080 -0.452 -5.562
35 HG22 THR 5 HG22 THR 5 18.040 -1.942 -4.621
36 HG23 THR 5 HG23 THR 5 19.345 -0.782 -4.378
37 H LEU 6 HN LEU 6 13.744 -0.924 -2.866
38 HA LEU 6 HA LEU 6 14.324 -3.811 -2.704
39 HB2 LEU 6 HB1 LEU 6 13.719 -2.164 -0.676
40 HB3 LEU 6 HB2 LEU 6 12.093 -2.582 -1.163
41 HG LEU 6 HG LEU 6 13.480 -5.020 -0.974
42 HD11 LEU 6 HD21 LEU 6 15.272 -3.930 0.227
43 HD12 LEU 6 HD22 LEU 6 14.336 -4.924 1.343
44 HD13 LEU 6 HD23 LEU 6 14.116 -3.172 1.323
45 HD21 LEU 6 HD11 LEU 6 11.138 -4.653 -0.419
46 HD22 LEU 6 HD12 LEU 6 11.608 -3.659 0.959
47 HD23 LEU 6 HD13 LEU 6 11.988 -5.382 0.943
48 H GLN 7 HN GLN 7 11.593 -4.486 -2.130
49 HA GLN 7 HA GLN 7 10.034 -3.571 -4.372
50 HB2 GLN 7 HB1 GLN 7 9.647 -5.788 -5.322
51 HB3 GLN 7 HB2 GLN 7 11.350 -5.367 -5.390
52 HG2 GLN 7 HG2 GLN 7 10.100 -7.166 -3.330
53 HG3 GLN 7 HG1 GLN 7 10.954 -7.710 -4.770
54 HE21 GLN 7 HE21 GLN 7 11.270 -6.187 -1.649
55 HE22 GLN 7 HE22 GLN 7 12.980 -6.384 -1.510
56 H THR 8 HN THR 8 10.083 -6.236 -1.977
57 HA THR 8 HA THR 8 7.255 -5.903 -1.522
58 HB THR 8 HB THR 8 7.958 -8.163 -1.380
59 HG1 THR 8 HG1 THR 8 6.751 -7.055 0.578
60 HG21 THR 8 HG21 THR 8 10.354 -7.763 -1.062
61 HG22 THR 8 HG22 THR 8 9.745 -8.942 0.099
62 HG23 THR 8 HG23 THR 8 10.055 -7.283 0.609
63 H ILE 9 HN ILE 9 7.026 -3.879 -0.736
64 HA ILE 9 HA ILE 9 7.441 -3.502 2.039
65 HB ILE 9 HB ILE 9 9.462 -2.687 0.201
66 HG12 ILE 9 HG12 ILE 9 9.745 -3.809 2.364
67 HG13 ILE 9 HG11 ILE 9 10.752 -2.369 2.215
68 HG21 ILE 9 HG21 ILE 9 8.391 -0.565 0.002
69 HG22 ILE 9 HG22 ILE 9 9.808 -0.375 1.033
70 HG23 ILE 9 HG23 ILE 9 8.199 -0.436 1.751
71 HD11 ILE 9 HD11 ILE 9 9.166 -1.125 3.595
72 HD12 ILE 9 HD12 ILE 9 9.782 -2.548 4.436
73 HD13 ILE 9 HD13 ILE 9 8.162 -2.568 3.739
74 H LEU 10 HN LEU 10 6.538 -2.259 -1.068
75 HA LEU 10 HA LEU 10 4.445 -0.644 0.197
76 HB2 LEU 10 HB1 LEU 10 6.714 0.386 -1.136
77 HB3 LEU 10 HB2 LEU 10 5.341 0.656 -2.184
78 HG LEU 10 HG LEU 10 5.892 2.555 -0.622
79 HD11 LEU 10 HD11 LEU 10 3.716 2.358 -1.693
80 HD12 LEU 10 HD12 LEU 10 3.555 2.999 -0.060
81 HD13 LEU 10 HD13 LEU 10 3.155 1.314 -0.387
82 HD21 LEU 10 HD21 LEU 10 5.248 2.390 1.691
83 HD22 LEU 10 HD22 LEU 10 6.443 1.142 1.334
84 HD23 LEU 10 HD23 LEU 10 4.735 0.717 1.466
85 H GLY 11 HN GLY 11 4.660 -3.248 -1.314
86 HA2 GLY 11 HA2 GLY 11 3.424 -2.767 -3.841
87 HA3 GLY 11 HA1 GLY 11 3.590 -4.332 -3.052
88 H ARG 12 HN ARG 12 2.154 -1.761 -1.281
89 HA ARG 12 HA ARG 12 0.082 -1.399 -0.453
90 HB2 ARG 12 HB2 ARG 12 -0.457 -0.913 -2.801
91 HB3 ARG 12 HB1 ARG 12 -0.813 -2.612 -3.075
92 HG2 ARG 12 HG1 ARG 12 -2.664 -2.490 -1.493
93 HG3 ARG 12 HG2 ARG 12 -2.301 -0.788 -1.197
94 HD2 ARG 12 HD2 ARG 12 -4.145 -1.015 -2.767
95 HD3 ARG 12 HD1 ARG 12 -2.744 -0.284 -3.548
96 HE ARG 12 HE ARG 12 -2.662 -3.054 -3.964
97 HH11 ARG 12 HH11 ARG 12 -5.022 -0.941 -6.414
98 HH12 ARG 12 HH12 ARG 12 -4.544 -0.271 -4.890
99 HH21 ARG 12 HH21 ARG 12 -4.308 -3.029 -7.027
100 HH22 ARG 12 HH22 ARG 12 -3.287 -3.944 -5.968
101 H VAL 13 HN VAL 13 0.018 -2.725 1.292
102 HA VAL 13 HA VAL 13 -1.161 -5.398 0.885
103 HB VAL 13 HB VAL 13 0.698 -4.575 3.120
104 HG11 VAL 13 HG11 VAL 13 -0.448 -7.264 2.375
105 HG12 VAL 13 HG12 VAL 13 -0.885 -6.297 3.783
106 HG13 VAL 13 HG13 VAL 13 0.739 -6.970 3.646
107 HG21 VAL 13 HG21 VAL 13 1.894 -4.672 1.006
108 HG22 VAL 13 HG22 VAL 13 1.237 -6.277 0.690
109 HG23 VAL 13 HG23 VAL 13 2.349 -6.030 2.036
110 H ASN 14 HN ASN 14 -1.009 -2.538 2.943
111 HA ASN 14 HA ASN 14 -3.746 -3.014 3.791
112 HB2 ASN 14 HB1 ASN 14 -2.369 -4.176 5.492
113 HB3 ASN 14 HB2 ASN 14 -1.523 -2.666 5.814
114 HD21 ASN 14 HD21 ASN 14 -5.225 -3.357 7.319
115 HD22 ASN 14 HD22 ASN 14 -4.514 -4.403 6.142
116 H LYS 15 HN LYS 15 -1.293 -1.010 2.827
117 HA LYS 15 HA LYS 15 -1.078 1.233 2.545
118 HB2 LYS 15 HB2 LYS 15 -4.026 1.240 3.218
119 HB3 LYS 15 HB1 LYS 15 -3.142 2.591 2.525
120 HG2 LYS 15 HG2 LYS 15 -2.666 1.274 0.531
121 HG3 LYS 15 HG1 LYS 15 -3.529 -0.099 1.228
122 HD2 LYS 15 HD1 LYS 15 -4.989 1.024 -0.315
123 HD3 LYS 15 HD2 LYS 15 -5.576 1.305 1.325
124 HE2 LYS 15 HE1 LYS 15 -4.517 3.507 1.332
125 HE3 LYS 15 HE2 LYS 15 -3.918 3.227 -0.303
126 HZ1 LYS 15 HZ1 LYS 15 -6.205 3.086 -1.076
127 HZ2 LYS 15 HZ2 LYS 15 -5.916 4.573 -0.324
128 HZ3 LYS 15 HZ3 LYS 15 -6.776 3.366 0.492
129 H HIS 16 HN HIS 16 0.279 1.851 4.143
130 HA HIS 16 HA HIS 16 -0.834 2.426 6.794
131 HB2 HIS 16 HB2 HIS 16 2.046 2.277 5.876
132 HB3 HIS 16 HB1 HIS 16 1.516 2.556 7.532
133 HD1 HIS 16 HD1 HIS 16 0.966 0.535 8.925
134 HD2 HIS 16 HD2 HIS 16 1.484 -0.377 4.904
135 HE1 HIS 16 HE1 HIS 16 0.984 -1.977 8.802
136 HE2 HIS 16 HE2 HIS 16 1.298 -2.508 6.359
137 H SER 17 HN SER 17 -0.076 4.410 7.892
138 HA SER 17 HA SER 17 0.844 6.597 6.260
139 HB2 SER 17 HB1 SER 17 -1.140 8.020 6.625
140 HB3 SER 17 HB2 SER 17 -1.535 6.590 5.670
141 HG SER 17 HG SER 17 -3.017 7.115 7.433
142 H THR 18 HN THR 18 0.870 4.998 9.035
143 HA THR 18 HA THR 18 0.614 6.879 11.083
144 HB THR 18 HB THR 18 2.582 4.582 10.997
145 HG1 THR 18 HG1 THR 18 0.337 4.006 10.584
146 HG21 THR 18 HG21 THR 18 2.988 6.128 12.841
147 HG22 THR 18 HG22 THR 18 2.329 4.608 13.444
148 HG23 THR 18 HG23 THR 18 1.293 6.029 13.315
149 H SER 19 HN SER 19 3.022 6.502 8.662
150 HA SER 19 HA SER 19 5.252 7.662 9.874
151 HB2 SER 19 HB1 SER 19 5.439 6.551 7.732
152 HB3 SER 19 HB2 SER 19 4.351 7.722 6.985
153 HG SER 19 HG SER 19 6.373 8.407 6.490
154 H ILE 20 HN ILE 20 6.119 9.797 9.693
155 HA ILE 20 HA ILE 20 4.048 11.880 9.439
156 HB ILE 20 HB ILE 20 5.333 13.209 11.077
157 HG12 ILE 20 HG12 ILE 20 6.931 10.669 11.483
158 HG13 ILE 20 HG11 ILE 20 7.529 12.107 10.661
159 HG21 ILE 20 HG21 ILE 20 3.435 11.865 11.805
160 HG22 ILE 20 HG22 ILE 20 4.677 11.928 13.055
161 HG23 ILE 20 HG23 ILE 20 4.500 10.482 12.061
162 HD11 ILE 20 HD11 ILE 20 7.274 13.388 12.722
163 HD12 ILE 20 HD12 ILE 20 8.342 12.002 12.938
164 HD13 ILE 20 HD13 ILE 20 6.686 11.943 13.543
165 H GLY 21 HN GLY 21 5.028 14.100 9.020
166 HA2 GLY 21 HA1 GLY 21 6.705 15.436 7.999
167 HA3 GLY 21 HA2 GLY 21 7.460 13.972 7.386
168 H LYS 22 HN LYS 22 4.044 14.252 7.067
169 HA LYS 22 HA LYS 22 4.325 15.128 4.274
170 HB2 LYS 22 HB2 LYS 22 2.658 12.798 5.239
171 HB3 LYS 22 HB1 LYS 22 2.665 13.429 3.599
172 HG2 LYS 22 HG1 LYS 22 5.031 12.838 3.385
173 HG3 LYS 22 HG2 LYS 22 5.009 12.188 5.026
174 HD2 LYS 22 HD1 LYS 22 3.267 11.203 2.768
175 HD3 LYS 22 HD2 LYS 22 4.783 10.449 3.268
176 HE2 LYS 22 HE1 LYS 22 2.324 10.799 4.979
177 HE3 LYS 22 HE2 LYS 22 2.864 9.294 4.236
178 HZ1 LYS 22 HZ1 LYS 22 4.359 10.845 6.281
179 HZ2 LYS 22 HZ2 LYS 22 4.878 9.402 5.567
180 HZ3 LYS 22 HZ3 LYS 22 3.507 9.409 6.558
Start of MODEL 13
1 H1 ACE 0 HA1 ACE 0 9.002 0.105 -10.758
2 H2 ACE 0 HA2 ACE 0 8.170 1.273 -9.735
3 H3 ACE 0 HA3 ACE 0 8.303 -0.397 -9.189
4 H MET 1 HN MET 1 9.213 2.140 -7.960
5 HA MET 1 HA MET 1 11.955 1.270 -7.433
6 HB2 MET 1 HB1 MET 1 12.125 3.066 -9.105
7 HB3 MET 1 HB2 MET 1 11.198 4.130 -8.056
8 HG2 MET 1 HG1 MET 1 12.966 4.025 -6.379
9 HG3 MET 1 HG2 MET 1 13.894 2.951 -7.424
10 HE1 MET 1 HE1 MET 1 16.001 4.552 -7.248
11 HE2 MET 1 HE2 MET 1 15.092 5.627 -6.186
12 HE3 MET 1 HE3 MET 1 15.945 6.283 -7.583
13 H ASP 2 HN ASP 2 12.198 1.007 -5.324
14 HA ASP 2 HA ASP 2 11.078 2.933 -3.457
15 HB2 ASP 2 HB1 ASP 2 10.374 -0.007 -3.338
16 HB3 ASP 2 HB2 ASP 2 10.031 1.161 -2.066
17 H TRP 3 HN TRP 3 11.879 2.555 -1.223
18 HA TRP 3 HA TRP 3 13.567 2.209 0.270
19 HB2 TRP 3 HB2 TRP 3 13.303 -0.127 0.166
20 HB3 TRP 3 HB1 TRP 3 13.894 -0.210 -1.490
21 HD1 TRP 3 HD1 TRP 3 16.187 -1.396 -1.542
22 HE1 TRP 3 HE1 TRP 3 18.276 -1.439 -0.033
23 HE3 TRP 3 HE3 TRP 3 14.562 1.705 2.090
24 HZ2 TRP 3 HZ2 TRP 3 19.115 -0.274 2.415
25 HZ3 TRP 3 HZ3 TRP 3 16.037 2.224 4.006
26 HH2 TRP 3 HH2 TRP 3 18.276 1.247 4.157
27 H GLY 4 HN GLY 4 15.186 0.923 -2.537
28 HA2 GLY 4 HA1 GLY 4 16.661 3.158 -3.327
29 HA3 GLY 4 HA2 GLY 4 17.593 2.271 -2.116
30 H THR 5 HN THR 5 16.411 -0.244 -2.816
31 HA THR 5 HA THR 5 16.932 -0.855 -5.569
32 HB THR 5 HB THR 5 18.706 -2.233 -3.547
33 HG1 THR 5 HG1 THR 5 19.174 0.088 -3.767
34 HG21 THR 5 HG21 THR 5 18.789 -2.017 -6.560
35 HG22 THR 5 HG22 THR 5 18.330 -3.440 -5.625
36 HG23 THR 5 HG23 THR 5 19.988 -2.844 -5.568
37 H LEU 6 HN LEU 6 14.986 -1.050 -3.250
38 HA LEU 6 HA LEU 6 14.491 -3.955 -3.233
39 HB2 LEU 6 HB1 LEU 6 14.760 -2.504 -1.080
40 HB3 LEU 6 HB2 LEU 6 13.134 -1.960 -1.448
41 HG LEU 6 HG LEU 6 13.133 -4.805 -1.524
42 HD11 LEU 6 HD21 LEU 6 14.429 -3.627 0.934
43 HD12 LEU 6 HD22 LEU 6 15.161 -4.766 -0.198
44 HD13 LEU 6 HD23 LEU 6 13.800 -5.271 0.805
45 HD21 LEU 6 HD11 LEU 6 11.211 -3.437 -1.010
46 HD22 LEU 6 HD12 LEU 6 12.016 -2.786 0.419
47 HD23 LEU 6 HD13 LEU 6 11.561 -4.490 0.361
48 H GLN 7 HN GLN 7 11.932 -4.211 -2.757
49 HA GLN 7 HA GLN 7 10.356 -2.392 -4.338
50 HB2 GLN 7 HB2 GLN 7 11.043 -5.147 -5.263
51 HB3 GLN 7 HB1 GLN 7 9.439 -4.516 -5.612
52 HG2 GLN 7 HG2 GLN 7 12.014 -3.155 -6.356
53 HG3 GLN 7 HG1 GLN 7 11.059 -4.167 -7.439
54 HE21 GLN 7 HE21 GLN 7 9.899 -0.368 -6.555
55 HE22 GLN 7 HE22 GLN 7 11.149 -1.159 -5.662
56 H THR 8 HN THR 8 10.596 -5.082 -2.148
57 HA THR 8 HA THR 8 7.745 -5.273 -1.794
58 HB THR 8 HB THR 8 8.193 -6.924 -0.083
59 HG1 THR 8 HG1 THR 8 10.394 -5.522 0.210
60 HG21 THR 8 HG21 THR 8 8.397 -7.692 -2.403
61 HG22 THR 8 HG22 THR 8 9.523 -8.551 -1.351
62 HG23 THR 8 HG23 THR 8 10.107 -7.259 -2.400
63 H ILE 9 HN ILE 9 8.481 -2.763 -1.506
64 HA ILE 9 HA ILE 9 8.766 -2.070 1.280
65 HB ILE 9 HB ILE 9 8.978 -0.766 -1.324
66 HG12 ILE 9 HG12 ILE 9 10.927 -1.291 0.061
67 HG13 ILE 9 HG11 ILE 9 10.805 0.443 -0.212
68 HG21 ILE 9 HG21 ILE 9 7.143 0.564 -0.535
69 HG22 ILE 9 HG22 ILE 9 8.618 1.523 -0.420
70 HG23 ILE 9 HG23 ILE 9 7.923 0.797 1.030
71 HD11 ILE 9 HD11 ILE 9 11.448 -0.053 2.074
72 HD12 ILE 9 HD12 ILE 9 9.978 -1.003 2.292
73 HD13 ILE 9 HD13 ILE 9 9.871 0.736 2.017
74 H LEU 10 HN LEU 10 6.357 -2.114 -1.218
75 HA LEU 10 HA LEU 10 4.228 -1.922 0.716
76 HB2 LEU 10 HB2 LEU 10 4.406 0.367 0.538
77 HB3 LEU 10 HB1 LEU 10 4.924 0.305 -1.134
78 HG LEU 10 HG LEU 10 2.236 -0.698 -0.909
79 HD11 LEU 10 HD11 LEU 10 2.662 2.088 0.149
80 HD12 LEU 10 HD12 LEU 10 2.188 0.693 1.118
81 HD13 LEU 10 HD13 LEU 10 1.114 1.294 -0.146
82 HD21 LEU 10 HD21 LEU 10 3.259 1.820 -2.202
83 HD22 LEU 10 HD22 LEU 10 1.824 0.888 -2.636
84 HD23 LEU 10 HD23 LEU 10 3.432 0.213 -2.906
85 H GLY 11 HN GLY 11 2.392 -2.911 0.006
86 HA2 GLY 11 HA2 GLY 11 2.115 -3.479 -2.857
87 HA3 GLY 11 HA1 GLY 11 2.192 -4.842 -1.751
88 H ARG 12 HN ARG 12 0.620 -1.773 -1.062
89 HA ARG 12 HA ARG 12 -1.527 -1.244 -0.534
90 HB2 ARG 12 HB1 ARG 12 -2.024 -3.311 -2.676
91 HB3 ARG 12 HB2 ARG 12 -3.312 -2.375 -1.935
92 HG2 ARG 12 HG1 ARG 12 -2.790 -1.293 -3.957
93 HG3 ARG 12 HG2 ARG 12 -2.079 -0.306 -2.679
94 HD2 ARG 12 HD2 ARG 12 0.103 -1.300 -3.103
95 HD3 ARG 12 HD1 ARG 12 -0.596 -2.332 -4.350
96 HE ARG 12 HE ARG 12 -1.162 0.333 -4.988
97 HH11 ARG 12 HH11 ARG 12 1.569 -1.819 -4.755
98 HH12 ARG 12 HH12 ARG 12 2.491 -0.988 -5.963
99 HH21 ARG 12 HH21 ARG 12 1.624 0.861 -7.000
100 HH22 ARG 12 HH22 ARG 12 0.045 1.433 -6.579
101 H VAL 13 HN VAL 13 -0.118 -3.521 0.839
102 HA VAL 13 HA VAL 13 -1.926 -5.542 1.536
103 HB VAL 13 HB VAL 13 0.250 -4.382 3.279
104 HG11 VAL 13 HG11 VAL 13 0.278 -6.613 4.309
105 HG12 VAL 13 HG12 VAL 13 -1.094 -7.082 3.305
106 HG13 VAL 13 HG13 VAL 13 -1.278 -5.809 4.513
107 HG21 VAL 13 HG21 VAL 13 1.682 -6.138 2.344
108 HG22 VAL 13 HG22 VAL 13 1.131 -5.014 1.100
109 HG23 VAL 13 HG23 VAL 13 0.384 -6.605 1.246
110 H ASN 14 HN ASN 14 -1.029 -2.687 3.485
111 HA ASN 14 HA ASN 14 -3.401 -3.018 5.115
112 HB2 ASN 14 HB2 ASN 14 -1.276 -2.392 6.175
113 HB3 ASN 14 HB1 ASN 14 -1.227 -0.918 5.214
114 HD21 ASN 14 HD21 ASN 14 -2.764 -2.573 7.851
115 HD22 ASN 14 HD22 ASN 14 -3.560 -1.193 8.519
116 H LYS 15 HN LYS 15 -5.290 -2.135 4.634
117 HA LYS 15 HA LYS 15 -5.413 0.001 2.650
118 HB2 LYS 15 HB2 LYS 15 -7.615 -1.649 3.905
119 HB3 LYS 15 HB1 LYS 15 -7.837 -0.467 2.623
120 HG2 LYS 15 HG1 LYS 15 -6.431 -1.802 1.140
121 HG3 LYS 15 HG2 LYS 15 -6.200 -2.987 2.427
122 HD2 LYS 15 HD1 LYS 15 -8.608 -3.422 2.459
123 HD3 LYS 15 HD2 LYS 15 -8.839 -2.236 1.173
124 HE2 LYS 15 HE1 LYS 15 -7.216 -4.769 0.973
125 HE3 LYS 15 HE2 LYS 15 -8.823 -4.516 0.293
126 HZ1 LYS 15 HZ1 LYS 15 -7.917 -2.776 -1.114
127 HZ2 LYS 15 HZ2 LYS 15 -7.099 -4.233 -1.374
128 HZ3 LYS 15 HZ3 LYS 15 -6.375 -3.010 -0.458
129 H HIS 16 HN HIS 16 -4.982 -0.076 5.841
130 HA HIS 16 HA HIS 16 -5.275 1.387 7.554
131 HB2 HIS 16 HB2 HIS 16 -6.137 3.263 5.343
132 HB3 HIS 16 HB1 HIS 16 -5.738 3.744 6.988
133 HD1 HIS 16 HD1 HIS 16 -3.299 4.075 7.544
134 HD2 HIS 16 HD2 HIS 16 -3.887 2.362 3.804
135 HE1 HIS 16 HE1 HIS 16 -1.043 4.094 6.434
136 HE2 HIS 16 HE2 HIS 16 -1.422 3.053 4.171
137 H SER 17 HN SER 17 -6.861 0.623 8.821
138 HA SER 17 HA SER 17 -9.605 1.510 8.226
139 HB2 SER 17 HB1 SER 17 -9.432 -0.897 7.782
140 HB3 SER 17 HB2 SER 17 -8.789 -1.159 9.404
141 HG SER 17 HG SER 17 -10.960 -1.581 9.486
142 H THR 18 HN THR 18 -7.052 1.802 10.253
143 HA THR 18 HA THR 18 -8.281 1.686 12.811
144 HB THR 18 HB THR 18 -5.855 1.574 12.600
145 HG1 THR 18 HG1 THR 18 -6.472 2.373 14.568
146 HG21 THR 18 HG21 THR 18 -5.566 3.048 10.672
147 HG22 THR 18 HG22 THR 18 -4.543 3.564 12.012
148 HG23 THR 18 HG23 THR 18 -6.033 4.437 11.653
149 H SER 19 HN SER 19 -8.817 3.723 10.269
150 HA SER 19 HA SER 19 -8.969 6.274 11.387
151 HB2 SER 19 HB2 SER 19 -10.608 4.996 9.187
152 HB3 SER 19 HB1 SER 19 -10.648 6.719 9.570
153 HG SER 19 HG SER 19 -9.095 5.772 7.877
154 H ILE 20 HN ILE 20 -10.271 7.170 12.843
155 HA ILE 20 HA ILE 20 -12.542 5.622 13.837
156 HB ILE 20 HB ILE 20 -10.956 6.422 15.504
157 HG12 ILE 20 HG11 ILE 20 -13.560 7.956 15.680
158 HG13 ILE 20 HG12 ILE 20 -13.376 6.249 16.069
159 HG21 ILE 20 HG21 ILE 20 -11.686 9.189 14.550
160 HG22 ILE 20 HG22 ILE 20 -10.132 8.386 14.325
161 HG23 ILE 20 HG23 ILE 20 -10.676 8.814 15.947
162 HD11 ILE 20 HD11 ILE 20 -12.026 8.536 17.480
163 HD12 ILE 20 HD12 ILE 20 -11.829 6.827 17.865
164 HD13 ILE 20 HD13 ILE 20 -13.399 7.602 18.076
165 H GLY 21 HN GLY 21 -14.636 6.351 13.839
166 HA2 GLY 21 HA2 GLY 21 -15.170 8.987 12.651
167 HA3 GLY 21 HA1 GLY 21 -15.908 7.562 11.937
168 H LYS 22 HN LYS 22 -15.905 6.613 14.944
169 HA LYS 22 HA LYS 22 -18.465 7.926 15.576
170 HB2 LYS 22 HB1 LYS 22 -18.897 5.804 16.921
171 HB3 LYS 22 HB2 LYS 22 -18.931 5.652 15.171
172 HG2 LYS 22 HG2 LYS 22 -16.647 4.761 15.213
173 HG3 LYS 22 HG1 LYS 22 -16.644 4.882 16.973
174 HD2 LYS 22 HD2 LYS 22 -18.601 3.239 15.372
175 HD3 LYS 22 HD1 LYS 22 -17.147 2.599 16.139
176 HE2 LYS 22 HE2 LYS 22 -17.988 3.314 18.324
177 HE3 LYS 22 HE1 LYS 22 -19.444 3.945 17.556
178 HZ1 LYS 22 HZ1 LYS 22 -18.586 1.101 17.557
179 HZ2 LYS 22 HZ2 LYS 22 -19.984 1.707 16.823
180 HZ3 LYS 22 HZ3 LYS 22 -19.823 1.760 18.505
Start of MODEL 14
1 H1 ACE 0 HA1 ACE 0 6.422 2.520 -8.636
2 H2 ACE 0 HA2 ACE 0 6.172 1.035 -9.551
3 H3 ACE 0 HA3 ACE 0 7.406 2.172 -10.090
4 H MET 1 HN MET 1 9.086 2.689 -8.384
5 HA MET 1 HA MET 1 10.126 0.156 -7.418
6 HB2 MET 1 HB1 MET 1 12.187 1.436 -6.968
7 HB3 MET 1 HB2 MET 1 11.641 1.618 -8.629
8 HG2 MET 1 HG1 MET 1 10.683 3.792 -8.083
9 HG3 MET 1 HG2 MET 1 11.217 3.610 -6.413
10 HE1 MET 1 HE1 MET 1 13.140 2.545 -9.684
11 HE2 MET 1 HE2 MET 1 14.093 3.995 -10.003
12 HE3 MET 1 HE3 MET 1 12.336 4.046 -10.147
13 H ASP 2 HN ASP 2 11.503 0.535 -5.249
14 HA ASP 2 HA ASP 2 9.974 2.017 -3.267
15 HB2 ASP 2 HB1 ASP 2 10.349 -0.980 -3.103
16 HB3 ASP 2 HB2 ASP 2 9.727 0.031 -1.803
17 H TRP 3 HN TRP 3 11.066 2.074 -1.157
18 HA TRP 3 HA TRP 3 12.898 2.392 0.162
19 HB2 TRP 3 HB2 TRP 3 13.433 0.106 0.169
20 HB3 TRP 3 HB1 TRP 3 13.850 0.102 -1.540
21 HD1 TRP 3 HD1 TRP 3 16.388 -0.223 -1.844
22 HE1 TRP 3 HE1 TRP 3 18.511 0.522 -0.587
23 HE3 TRP 3 HE3 TRP 3 14.191 2.345 1.901
24 HZ2 TRP 3 HZ2 TRP 3 19.153 2.033 1.727
25 HZ3 TRP 3 HZ3 TRP 3 15.592 3.433 3.625
26 HH2 TRP 3 HH2 TRP 3 18.032 3.276 3.530
27 H GLY 4 HN GLY 4 14.565 1.544 -2.783
28 HA2 GLY 4 HA1 GLY 4 15.148 4.071 -3.792
29 HA3 GLY 4 HA2 GLY 4 16.419 3.638 -2.643
30 H THR 5 HN THR 5 16.067 0.819 -3.134
31 HA THR 5 HA THR 5 16.533 0.199 -5.883
32 HB THR 5 HB THR 5 18.875 -0.306 -4.041
33 HG1 THR 5 HG1 THR 5 18.631 1.835 -5.911
34 HG21 THR 5 HG21 THR 5 20.081 -0.592 -6.171
35 HG22 THR 5 HG22 THR 5 18.582 -0.288 -7.049
36 HG23 THR 5 HG23 THR 5 18.731 -1.716 -6.024
37 H LEU 6 HN LEU 6 14.991 -0.471 -3.373
38 HA LEU 6 HA LEU 6 15.576 -3.357 -3.178
39 HB2 LEU 6 HB1 LEU 6 15.581 -1.730 -1.121
40 HB3 LEU 6 HB2 LEU 6 13.838 -1.854 -1.253
41 HG LEU 6 HG LEU 6 14.891 -4.496 -1.270
42 HD11 LEU 6 HD21 LEU 6 15.979 -2.741 0.931
43 HD12 LEU 6 HD22 LEU 6 16.918 -3.623 -0.276
44 HD13 LEU 6 HD23 LEU 6 15.994 -4.506 0.938
45 HD21 LEU 6 HD11 LEU 6 12.680 -3.802 -0.487
46 HD22 LEU 6 HD12 LEU 6 13.425 -2.929 0.852
47 HD23 LEU 6 HD13 LEU 6 13.553 -4.688 0.763
48 H GLN 7 HN GLN 7 13.406 -4.490 -2.384
49 HA GLN 7 HA GLN 7 11.039 -3.437 -3.629
50 HB2 GLN 7 HB2 GLN 7 12.485 -5.823 -4.751
51 HB3 GLN 7 HB1 GLN 7 10.742 -5.669 -4.917
52 HG2 GLN 7 HG2 GLN 7 12.852 -3.818 -5.990
53 HG3 GLN 7 HG1 GLN 7 11.761 -4.855 -6.907
54 HE21 GLN 7 HE21 GLN 7 9.503 -4.193 -5.120
55 HE22 GLN 7 HE22 GLN 7 8.998 -2.607 -5.584
56 H THR 8 HN THR 8 9.292 -5.338 -3.567
57 HA THR 8 HA THR 8 7.931 -6.547 -2.223
58 HB THR 8 HB THR 8 10.155 -7.553 -0.520
59 HG1 THR 8 HG1 THR 8 10.704 -7.328 -2.956
60 HG21 THR 8 HG21 THR 8 7.895 -8.458 -0.291
61 HG22 THR 8 HG22 THR 8 9.006 -9.693 -0.882
62 HG23 THR 8 HG23 THR 8 7.892 -8.905 -1.997
63 H ILE 9 HN ILE 9 9.405 -3.990 -1.436
64 HA ILE 9 HA ILE 9 9.509 -3.593 1.272
65 HB ILE 9 HB ILE 9 8.954 -1.928 -1.098
66 HG12 ILE 9 HG12 ILE 9 11.255 -2.451 -0.394
67 HG13 ILE 9 HG11 ILE 9 10.943 -0.720 -0.339
68 HG21 ILE 9 HG21 ILE 9 7.341 -0.973 0.387
69 HG22 ILE 9 HG22 ILE 9 8.727 0.116 0.320
70 HG23 ILE 9 HG23 ILE 9 8.502 -0.939 1.715
71 HD11 ILE 9 HD11 ILE 9 12.236 -1.442 1.579
72 HD12 ILE 9 HD12 ILE 9 10.965 -2.581 2.024
73 HD13 ILE 9 HD13 ILE 9 10.652 -0.847 2.078
74 H LEU 10 HN LEU 10 6.759 -3.163 -0.856
75 HA LEU 10 HA LEU 10 4.935 -3.767 1.338
76 HB2 LEU 10 HB1 LEU 10 5.091 -1.202 -0.178
77 HB3 LEU 10 HB2 LEU 10 3.545 -1.752 0.442
78 HG LEU 10 HG LEU 10 5.821 -1.658 2.346
79 HD11 LEU 10 HD21 LEU 10 6.067 0.413 1.058
80 HD12 LEU 10 HD22 LEU 10 5.568 0.716 2.723
81 HD13 LEU 10 HD23 LEU 10 4.389 0.822 1.416
82 HD21 LEU 10 HD11 LEU 10 4.059 -0.936 3.873
83 HD22 LEU 10 HD12 LEU 10 3.621 -2.433 3.050
84 HD23 LEU 10 HD13 LEU 10 2.909 -0.904 2.536
85 H GLY 11 HN GLY 11 2.705 -4.121 0.583
86 HA2 GLY 11 HA2 GLY 11 2.677 -5.093 -2.208
87 HA3 GLY 11 HA1 GLY 11 1.841 -5.899 -0.889
88 H ARG 12 HN ARG 12 1.923 -2.425 -1.310
89 HA ARG 12 HA ARG 12 0.293 -0.881 -1.644
90 HB2 ARG 12 HB1 ARG 12 -0.911 -3.068 -3.351
91 HB3 ARG 12 HB2 ARG 12 -1.413 -1.383 -3.363
92 HG2 ARG 12 HG2 ARG 12 0.816 -0.728 -4.136
93 HG3 ARG 12 HG1 ARG 12 1.304 -2.425 -4.141
94 HD2 ARG 12 HD1 ARG 12 -0.411 -2.922 -5.803
95 HD3 ARG 12 HD2 ARG 12 -0.927 -1.236 -5.785
96 HE ARG 12 HE ARG 12 1.820 -1.380 -6.393
97 HH11 ARG 12 HH11 ARG 12 -0.766 -1.828 -9.416
98 HH12 ARG 12 HH12 ARG 12 -1.300 -2.068 -7.786
99 HH21 ARG 12 HH21 ARG 12 2.529 -1.062 -8.536
100 HH22 ARG 12 HH22 ARG 12 1.409 -1.257 -9.843
101 H VAL 13 HN VAL 13 0.048 -3.018 0.486
102 HA VAL 13 HA VAL 13 -2.689 -3.584 0.897
103 HB VAL 13 HB VAL 13 -2.061 -4.111 3.214
104 HG11 VAL 13 HG11 VAL 13 -0.437 -5.879 2.713
105 HG12 VAL 13 HG12 VAL 13 -0.094 -5.116 1.160
106 HG13 VAL 13 HG13 VAL 13 -1.696 -5.779 1.483
107 HG21 VAL 13 HG21 VAL 13 0.274 -3.868 3.939
108 HG22 VAL 13 HG22 VAL 13 -0.485 -2.309 3.618
109 HG23 VAL 13 HG23 VAL 13 0.636 -3.001 2.446
110 H ASN 14 HN ASN 14 -4.188 -2.646 2.322
111 HA ASN 14 HA ASN 14 -3.563 -0.069 3.513
112 HB2 ASN 14 HB1 ASN 14 -4.253 0.518 1.230
113 HB3 ASN 14 HB2 ASN 14 -5.751 -0.380 1.447
114 HD21 ASN 14 HD21 ASN 14 -5.299 3.348 2.973
115 HD22 ASN 14 HD22 ASN 14 -3.972 2.478 2.291
116 H LYS 15 HN LYS 15 -5.068 0.600 5.094
117 HA LYS 15 HA LYS 15 -7.095 -1.405 5.824
118 HB2 LYS 15 HB1 LYS 15 -5.133 -1.679 7.271
119 HB3 LYS 15 HB2 LYS 15 -5.214 0.021 7.716
120 HG2 LYS 15 HG1 LYS 15 -6.137 -1.314 9.483
121 HG3 LYS 15 HG2 LYS 15 -7.429 -0.381 8.724
122 HD2 LYS 15 HD2 LYS 15 -8.088 -2.348 7.427
123 HD3 LYS 15 HD1 LYS 15 -6.793 -3.281 8.181
124 HE2 LYS 15 HE2 LYS 15 -7.825 -2.943 10.372
125 HE3 LYS 15 HE1 LYS 15 -9.116 -2.005 9.622
126 HZ1 LYS 15 HZ1 LYS 15 -8.528 -4.867 9.087
127 HZ2 LYS 15 HZ2 LYS 15 -9.770 -3.966 8.375
128 HZ3 LYS 15 HZ3 LYS 15 -9.801 -4.282 10.036
129 H HIS 16 HN HIS 16 -5.992 1.793 6.962
130 HA HIS 16 HA HIS 16 -8.794 2.695 6.825
131 HB2 HIS 16 HB1 HIS 16 -8.203 4.310 8.612
132 HB3 HIS 16 HB2 HIS 16 -8.005 2.635 9.120
133 HD1 HIS 16 HD1 HIS 16 -5.662 1.856 9.742
134 HD2 HIS 16 HD2 HIS 16 -5.777 5.750 8.293
135 HE1 HIS 16 HE1 HIS 16 -3.389 2.820 10.221
136 HE2 HIS 16 HE2 HIS 16 -3.480 5.176 9.335
137 H SER 17 HN SER 17 -9.204 4.842 6.140
138 HA SER 17 HA SER 17 -7.003 6.336 4.952
139 HB2 SER 17 HB2 SER 17 -9.387 5.395 3.338
140 HB3 SER 17 HB1 SER 17 -8.162 6.533 2.775
141 HG SER 17 HG SER 17 -6.668 4.933 2.760
142 H THR 18 HN THR 18 -9.365 6.433 7.004
143 HA THR 18 HA THR 18 -11.106 8.491 6.244
144 HB THR 18 HB THR 18 -11.563 7.137 8.208
145 HG1 THR 18 HG1 THR 18 -12.415 9.271 8.188
146 HG21 THR 18 HG21 THR 18 -10.287 7.431 10.285
147 HG22 THR 18 HG22 THR 18 -9.165 8.500 9.441
148 HG23 THR 18 HG23 THR 18 -9.272 6.799 8.987
149 H SER 19 HN SER 19 -7.787 8.563 6.934
150 HA SER 19 HA SER 19 -7.529 11.165 8.009
151 HB2 SER 19 HB1 SER 19 -5.712 9.574 8.203
152 HB3 SER 19 HB2 SER 19 -5.574 9.461 6.448
153 HG SER 19 HG SER 19 -4.312 11.126 6.529
154 H ILE 20 HN ILE 20 -7.523 13.118 7.080
155 HA ILE 20 HA ILE 20 -7.733 14.763 5.527
156 HB ILE 20 HB ILE 20 -6.323 12.826 3.686
157 HG12 ILE 20 HG11 ILE 20 -5.173 15.033 5.410
158 HG13 ILE 20 HG12 ILE 20 -5.091 13.318 5.796
159 HG21 ILE 20 HG21 ILE 20 -5.662 14.838 2.447
160 HG22 ILE 20 HG22 ILE 20 -6.647 15.820 3.532
161 HG23 ILE 20 HG23 ILE 20 -7.414 14.632 2.478
162 HD11 ILE 20 HD11 ILE 20 -3.776 12.926 3.780
163 HD12 ILE 20 HD12 ILE 20 -3.007 14.100 4.847
164 HD13 ILE 20 HD13 ILE 20 -3.853 14.647 3.399
165 H GLY 21 HN GLY 21 -9.859 15.010 5.132
166 HA2 GLY 21 HA1 GLY 21 -10.964 13.515 2.845
167 HA3 GLY 21 HA2 GLY 21 -11.886 13.653 4.334
168 H LYS 22 HN LYS 22 -9.945 16.342 3.425
169 HA LYS 22 HA LYS 22 -10.453 18.475 2.828
170 HB2 LYS 22 HB1 LYS 22 -12.548 17.084 1.147
171 HB3 LYS 22 HB2 LYS 22 -12.053 18.762 0.962
172 HG2 LYS 22 HG1 LYS 22 -9.787 18.032 0.403
173 HG3 LYS 22 HG2 LYS 22 -10.289 16.350 0.583
174 HD2 LYS 22 HD2 LYS 22 -11.906 16.636 -1.228
175 HD3 LYS 22 HD1 LYS 22 -11.415 18.322 -1.405
176 HE2 LYS 22 HE2 LYS 22 -10.351 16.922 -3.091
177 HE3 LYS 22 HE1 LYS 22 -9.155 17.608 -1.992
178 HZ1 LYS 22 HZ1 LYS 22 -9.097 15.505 -0.802
179 HZ2 LYS 22 HZ2 LYS 22 -8.711 15.278 -2.433
180 HZ3 LYS 22 HZ3 LYS 22 -10.243 14.846 -1.860
Start of MODEL 15
1 H1 ACE 0 HA1 ACE 0 4.455 2.285 -8.104
2 H2 ACE 0 HA2 ACE 0 3.639 1.799 -6.620
3 H3 ACE 0 HA3 ACE 0 3.525 0.758 -8.037
4 H MET 1 HN MET 1 6.363 2.436 -6.769
5 HA MET 1 HA MET 1 7.776 -0.116 -6.717
6 HB2 MET 1 HB1 MET 1 8.800 2.708 -6.370
7 HB3 MET 1 HB2 MET 1 9.803 1.265 -6.442
8 HG2 MET 1 HG1 MET 1 9.040 0.844 -8.722
9 HG3 MET 1 HG2 MET 1 8.033 2.288 -8.650
10 HE1 MET 1 HE1 MET 1 9.148 3.176 -10.890
11 HE2 MET 1 HE2 MET 1 10.166 1.738 -10.965
12 HE3 MET 1 HE3 MET 1 10.889 3.339 -11.120
13 H ASP 2 HN ASP 2 9.644 0.091 -4.854
14 HA ASP 2 HA ASP 2 8.462 0.881 -2.317
15 HB2 ASP 2 HB1 ASP 2 9.234 -1.983 -2.910
16 HB3 ASP 2 HB2 ASP 2 8.827 -1.359 -1.315
17 H TRP 3 HN TRP 3 9.981 1.490 -0.852
18 HA TRP 3 HA TRP 3 12.024 2.038 0.009
19 HB2 TRP 3 HB2 TRP 3 12.342 -0.386 0.201
20 HB3 TRP 3 HB1 TRP 3 12.893 -0.449 -1.466
21 HD1 TRP 3 HD1 TRP 3 15.456 -0.711 -1.583
22 HE1 TRP 3 HE1 TRP 3 17.457 0.107 -0.179
23 HE3 TRP 3 HE3 TRP 3 12.915 1.865 1.923
24 HZ2 TRP 3 HZ2 TRP 3 17.879 1.671 2.152
25 HZ3 TRP 3 HZ3 TRP 3 14.148 3.015 3.735
26 HH2 TRP 3 HH2 TRP 3 16.589 2.915 3.838
27 H GLY 4 HN GLY 4 14.256 2.741 -0.615
28 HA2 GLY 4 HA1 GLY 4 14.277 4.449 -2.776
29 HA3 GLY 4 HA2 GLY 4 15.721 3.792 -2.010
30 H THR 5 HN THR 5 15.038 1.062 -2.604
31 HA THR 5 HA THR 5 14.684 0.622 -5.384
32 HB THR 5 HB THR 5 17.514 0.246 -4.359
33 HG1 THR 5 HG1 THR 5 17.020 2.447 -4.843
34 HG21 THR 5 HG21 THR 5 16.842 -1.466 -5.962
35 HG22 THR 5 HG22 THR 5 18.019 -0.368 -6.684
36 HG23 THR 5 HG23 THR 5 16.308 -0.218 -7.088
37 H LEU 6 HN LEU 6 13.167 -0.720 -4.159
38 HA LEU 6 HA LEU 6 14.191 -3.400 -3.745
39 HB2 LEU 6 HB1 LEU 6 14.326 -1.945 -1.576
40 HB3 LEU 6 HB2 LEU 6 12.595 -2.192 -1.518
41 HG LEU 6 HG LEU 6 13.819 -4.739 -1.845
42 HD11 LEU 6 HD21 LEU 6 15.889 -3.784 -1.036
43 HD12 LEU 6 HD22 LEU 6 15.174 -4.780 0.232
44 HD13 LEU 6 HD23 LEU 6 15.045 -3.020 0.313
45 HD21 LEU 6 HD11 LEU 6 12.473 -3.371 0.484
46 HD22 LEU 6 HD12 LEU 6 12.797 -5.103 0.382
47 HD23 LEU 6 HD13 LEU 6 11.690 -4.344 -0.763
48 H GLN 7 HN GLN 7 12.021 -4.530 -2.510
49 HA GLN 7 HA GLN 7 9.632 -3.607 -3.851
50 HB2 GLN 7 HB1 GLN 7 10.118 -5.053 -5.555
51 HB3 GLN 7 HB2 GLN 7 11.134 -6.070 -4.543
52 HG2 GLN 7 HG1 GLN 7 9.289 -7.382 -5.165
53 HG3 GLN 7 HG2 GLN 7 9.037 -6.927 -3.479
54 HE21 GLN 7 HE21 GLN 7 7.342 -5.597 -2.942
55 HE22 GLN 7 HE22 GLN 7 6.096 -5.158 -4.054
56 H THR 8 HN THR 8 10.866 -6.410 -1.986
57 HA THR 8 HA THR 8 8.447 -6.835 -0.621
58 HB THR 8 HB THR 8 9.975 -8.646 -0.584
59 HG1 THR 8 HG1 THR 8 8.922 -7.806 1.570
60 HG21 THR 8 HG21 THR 8 12.218 -8.507 0.406
61 HG22 THR 8 HG22 THR 8 11.976 -6.785 0.704
62 HG23 THR 8 HG23 THR 8 12.039 -7.393 -0.951
63 H ILE 9 HN ILE 9 7.643 -4.959 0.094
64 HA ILE 9 HA ILE 9 8.677 -3.975 2.595
65 HB ILE 9 HB ILE 9 8.919 -2.570 0.041
66 HG12 ILE 9 HG12 ILE 9 10.831 -3.246 1.426
67 HG13 ILE 9 HG11 ILE 9 10.804 -1.507 1.153
68 HG21 ILE 9 HG21 ILE 9 7.901 -1.107 2.473
69 HG22 ILE 9 HG22 ILE 9 7.131 -1.227 0.890
70 HG23 ILE 9 HG23 ILE 9 8.631 -0.320 1.074
71 HD11 ILE 9 HD11 ILE 9 9.910 -2.910 3.661
72 HD12 ILE 9 HD12 ILE 9 9.894 -1.168 3.389
73 HD13 ILE 9 HD13 ILE 9 11.427 -2.038 3.439
74 H LEU 10 HN LEU 10 6.339 -3.621 0.011
75 HA LEU 10 HA LEU 10 4.148 -3.694 1.864
76 HB2 LEU 10 HB2 LEU 10 4.448 -1.412 2.117
77 HB3 LEU 10 HB1 LEU 10 4.949 -1.204 0.450
78 HG LEU 10 HG LEU 10 2.227 -2.143 0.559
79 HD11 LEU 10 HD11 LEU 10 1.197 -0.239 1.630
80 HD12 LEU 10 HD12 LEU 10 2.783 0.430 2.022
81 HD13 LEU 10 HD13 LEU 10 2.251 -1.076 2.771
82 HD21 LEU 10 HD21 LEU 10 3.442 -0.984 -1.297
83 HD22 LEU 10 HD22 LEU 10 3.322 0.505 -0.356
84 HD23 LEU 10 HD23 LEU 10 1.858 -0.310 -0.909
85 H GLY 11 HN GLY 11 5.238 -3.118 -1.388
86 HA2 GLY 11 HA1 GLY 11 4.578 -4.127 -3.367
87 HA3 GLY 11 HA2 GLY 11 3.418 -5.072 -2.446
88 H ARG 12 HN ARG 12 1.428 -3.984 -1.774
89 HA ARG 12 HA ARG 12 0.663 -1.490 -2.881
90 HB2 ARG 12 HB2 ARG 12 0.739 -3.024 -4.918
91 HB3 ARG 12 HB1 ARG 12 -0.633 -3.866 -4.213
92 HG2 ARG 12 HG1 ARG 12 -1.949 -1.819 -4.289
93 HG3 ARG 12 HG2 ARG 12 -0.568 -0.950 -4.962
94 HD2 ARG 12 HD1 ARG 12 -1.979 -3.286 -6.243
95 HD3 ARG 12 HD2 ARG 12 -2.164 -1.593 -6.701
96 HE ARG 12 HE ARG 12 0.558 -2.385 -6.809
97 HH11 ARG 12 HH11 ARG 12 -1.720 -2.864 -10.066
98 HH12 ARG 12 HH12 ARG 12 -2.466 -2.651 -8.517
99 HH21 ARG 12 HH21 ARG 12 0.562 -2.871 -10.252
100 HH22 ARG 12 HH22 ARG 12 1.549 -2.664 -8.844
101 H VAL 13 HN VAL 13 0.530 -3.246 -0.447
102 HA VAL 13 HA VAL 13 -2.250 -3.811 -0.018
103 HB VAL 13 HB VAL 13 -1.603 -4.304 2.295
104 HG11 VAL 13 HG11 VAL 13 -1.328 -6.041 0.623
105 HG12 VAL 13 HG12 VAL 13 -0.040 -6.144 1.822
106 HG13 VAL 13 HG13 VAL 13 0.285 -5.443 0.236
107 HG21 VAL 13 HG21 VAL 13 1.129 -3.330 1.465
108 HG22 VAL 13 HG22 VAL 13 0.746 -4.131 2.989
109 HG23 VAL 13 HG23 VAL 13 0.049 -2.552 2.622
110 H ASN 14 HN ASN 14 -3.257 -2.913 2.092
111 HA ASN 14 HA ASN 14 -3.099 0.012 1.930
112 HB2 ASN 14 HB1 ASN 14 -5.332 0.001 2.973
113 HB3 ASN 14 HB2 ASN 14 -5.303 -0.947 1.489
114 HD21 ASN 14 HD21 ASN 14 -5.466 -3.183 1.600
115 HD22 ASN 14 HD22 ASN 14 -6.025 -3.992 3.020
116 H LYS 15 HN LYS 15 -4.019 0.934 4.207
117 HA LYS 15 HA LYS 15 -2.550 -0.342 6.395
118 HB2 LYS 15 HB2 LYS 15 -1.541 1.772 7.071
119 HB3 LYS 15 HB1 LYS 15 -1.042 1.344 5.442
120 HG2 LYS 15 HG2 LYS 15 -3.321 3.225 5.951
121 HG3 LYS 15 HG1 LYS 15 -1.646 3.775 5.895
122 HD2 LYS 15 HD1 LYS 15 -1.430 2.842 3.631
123 HD3 LYS 15 HD2 LYS 15 -3.122 2.341 3.689
124 HE2 LYS 15 HE2 LYS 15 -2.119 5.177 3.891
125 HE3 LYS 15 HE1 LYS 15 -2.835 4.440 2.458
126 HZ1 LYS 15 HZ1 LYS 15 -4.206 4.820 5.065
127 HZ2 LYS 15 HZ2 LYS 15 -4.891 4.133 3.681
128 HZ3 LYS 15 HZ3 LYS 15 -4.445 5.764 3.681
129 H HIS 16 HN HIS 16 -2.977 1.065 8.488
130 HA HIS 16 HA HIS 16 -5.758 0.896 8.986
131 HB2 HIS 16 HB2 HIS 16 -3.575 2.198 10.629
132 HB3 HIS 16 HB1 HIS 16 -5.200 1.837 11.203
133 HD1 HIS 16 HD1 HIS 16 -1.872 0.365 10.783
134 HD2 HIS 16 HD2 HIS 16 -5.749 -1.001 11.395
135 HE1 HIS 16 HE1 HIS 16 -1.632 -2.023 11.534
136 HE2 HIS 16 HE2 HIS 16 -3.991 -2.830 11.900
137 H SER 17 HN SER 17 -3.669 3.772 9.297
138 HA SER 17 HA SER 17 -4.075 5.989 8.994
139 HB2 SER 17 HB1 SER 17 -4.353 5.267 6.645
140 HB3 SER 17 HB2 SER 17 -6.071 4.999 6.942
141 HG SER 17 HG SER 17 -5.673 7.046 6.004
142 H THR 18 HN THR 18 -5.768 4.342 10.865
143 HA THR 18 HA THR 18 -8.395 5.288 10.957
144 HB THR 18 HB THR 18 -7.692 3.420 12.341
145 HG1 THR 18 HG1 THR 18 -9.166 5.441 13.166
146 HG21 THR 18 HG21 THR 18 -5.418 4.164 12.855
147 HG22 THR 18 HG22 THR 18 -6.297 3.754 14.329
148 HG23 THR 18 HG23 THR 18 -6.063 5.444 13.882
149 H SER 19 HN SER 19 -5.460 6.910 11.534
150 HA SER 19 HA SER 19 -6.260 8.827 13.435
151 HB2 SER 19 HB1 SER 19 -3.913 8.491 12.935
152 HB3 SER 19 HB2 SER 19 -4.165 8.965 11.255
153 HG SER 19 HG SER 19 -3.567 10.839 12.056
154 H ILE 20 HN ILE 20 -7.667 10.437 13.272
155 HA ILE 20 HA ILE 20 -8.101 11.703 10.662
156 HB ILE 20 HB ILE 20 -9.925 10.111 10.939
157 HG12 ILE 20 HG12 ILE 20 -11.838 11.709 10.817
158 HG13 ILE 20 HG11 ILE 20 -10.758 12.989 11.358
159 HG21 ILE 20 HG21 ILE 20 -10.505 11.563 13.515
160 HG22 ILE 20 HG22 ILE 20 -9.901 9.914 13.360
161 HG23 ILE 20 HG23 ILE 20 -11.518 10.317 12.787
162 HD11 ILE 20 HD11 ILE 20 -11.079 13.047 8.952
163 HD12 ILE 20 HD12 ILE 20 -10.464 11.400 8.822
164 HD13 ILE 20 HD13 ILE 20 -9.400 12.699 9.361
165 H GLY 21 HN GLY 21 -8.477 13.883 10.719
166 HA2 GLY 21 HA1 GLY 21 -9.103 15.223 13.207
167 HA3 GLY 21 HA2 GLY 21 -7.463 15.495 12.634
168 H LYS 22 HN LYS 22 -9.684 14.989 10.126
169 HA LYS 22 HA LYS 22 -9.511 17.796 9.379
170 HB2 LYS 22 HB1 LYS 22 -8.996 16.078 7.700
171 HB3 LYS 22 HB2 LYS 22 -10.617 15.419 7.870
172 HG2 LYS 22 HG1 LYS 22 -10.501 16.757 5.879
173 HG3 LYS 22 HG2 LYS 22 -11.539 17.559 7.059
174 HD2 LYS 22 HD1 LYS 22 -10.121 19.206 6.035
175 HD3 LYS 22 HD2 LYS 22 -9.613 18.985 7.710
176 HE2 LYS 22 HE2 LYS 22 -7.799 17.523 6.971
177 HE3 LYS 22 HE1 LYS 22 -8.311 17.731 5.296
178 HZ1 LYS 22 HZ1 LYS 22 -6.457 19.175 5.839
179 HZ2 LYS 22 HZ2 LYS 22 -7.343 19.893 7.088
180 HZ3 LYS 22 HZ3 LYS 22 -7.833 20.092 5.481
Start of MODEL 16
1 H1 ACE 0 HA1 ACE 0 7.334 1.993 -9.553
2 H2 ACE 0 HA2 ACE 0 8.330 2.624 -10.863
3 H3 ACE 0 HA3 ACE 0 7.858 3.705 -9.554
4 H MET 1 HN MET 1 8.880 3.585 -7.580
5 HA MET 1 HA MET 1 11.061 1.665 -7.278
6 HB2 MET 1 HB2 MET 1 12.653 3.447 -6.670
7 HB3 MET 1 HB1 MET 1 12.119 3.579 -8.340
8 HG2 MET 1 HG2 MET 1 10.554 5.343 -7.703
9 HG3 MET 1 HG1 MET 1 11.091 5.211 -6.029
10 HE1 MET 1 HE1 MET 1 13.784 6.654 -9.488
11 HE2 MET 1 HE2 MET 1 12.088 6.213 -9.688
12 HE3 MET 1 HE3 MET 1 13.281 4.975 -9.297
13 H ASP 2 HN ASP 2 11.762 1.367 -5.126
14 HA ASP 2 HA ASP 2 10.373 2.802 -3.008
15 HB2 ASP 2 HB1 ASP 2 10.131 -0.194 -3.355
16 HB3 ASP 2 HB2 ASP 2 9.599 0.705 -1.936
17 H TRP 3 HN TRP 3 11.309 2.450 -0.907
18 HA TRP 3 HA TRP 3 13.041 2.177 0.551
19 HB2 TRP 3 HB2 TRP 3 12.988 -0.164 0.335
20 HB3 TRP 3 HB1 TRP 3 13.558 -0.114 -1.329
21 HD1 TRP 3 HD1 TRP 3 15.949 -1.077 -1.469
22 HE1 TRP 3 HE1 TRP 3 18.056 -1.006 0.013
23 HE3 TRP 3 HE3 TRP 3 14.106 1.675 2.336
24 HZ2 TRP 3 HZ2 TRP 3 18.825 0.105 2.508
25 HZ3 TRP 3 HZ3 TRP 3 15.559 2.228 4.262
26 HH2 TRP 3 HH2 TRP 3 17.878 1.453 4.337
27 H GLY 4 HN GLY 4 14.716 1.189 -2.343
28 HA2 GLY 4 HA1 GLY 4 15.978 3.576 -3.037
29 HA3 GLY 4 HA2 GLY 4 17.003 2.727 -1.874
30 H THR 5 HN THR 5 16.024 0.148 -2.687
31 HA THR 5 HA THR 5 16.564 -0.292 -5.465
32 HB THR 5 HB THR 5 18.490 -1.593 -3.535
33 HG1 THR 5 HG1 THR 5 19.004 0.705 -5.144
34 HG21 THR 5 HG21 THR 5 18.516 -1.205 -6.531
35 HG22 THR 5 HG22 THR 5 18.193 -2.713 -5.676
36 HG23 THR 5 HG23 THR 5 19.793 -1.979 -5.594
37 H LEU 6 HN LEU 6 14.674 -0.767 -3.146
38 HA LEU 6 HA LEU 6 14.455 -3.705 -3.253
39 HB2 LEU 6 HB1 LEU 6 14.633 -2.339 -1.035
40 HB3 LEU 6 HB2 LEU 6 12.957 -1.933 -1.352
41 HG LEU 6 HG LEU 6 13.219 -4.758 -1.569
42 HD11 LEU 6 HD21 LEU 6 15.260 -4.587 -0.269
43 HD12 LEU 6 HD22 LEU 6 13.973 -5.275 0.720
44 HD13 LEU 6 HD23 LEU 6 14.440 -3.586 0.930
45 HD21 LEU 6 HD11 LEU 6 11.188 -3.607 -0.960
46 HD22 LEU 6 HD12 LEU 6 11.955 -2.948 0.485
47 HD23 LEU 6 HD13 LEU 6 11.662 -4.683 0.354
48 H GLN 7 HN GLN 7 11.973 -4.271 -2.805
49 HA GLN 7 HA GLN 7 10.191 -2.516 -4.251
50 HB2 GLN 7 HB2 GLN 7 10.944 -5.256 -5.249
51 HB3 GLN 7 HB1 GLN 7 9.414 -4.507 -5.683
52 HG2 GLN 7 HG2 GLN 7 12.015 -3.102 -6.151
53 HG3 GLN 7 HG1 GLN 7 11.393 -4.290 -7.293
54 HE21 GLN 7 HE21 GLN 7 8.777 -1.222 -6.774
55 HE22 GLN 7 HE22 GLN 7 9.300 -2.188 -5.444
56 H THR 8 HN THR 8 10.725 -5.281 -2.206
57 HA THR 8 HA THR 8 7.916 -5.751 -1.800
58 HB THR 8 HB THR 8 8.559 -7.424 -0.173
59 HG1 THR 8 HG1 THR 8 10.629 -5.835 0.135
60 HG21 THR 8 HG21 THR 8 10.435 -7.477 -2.543
61 HG22 THR 8 HG22 THR 8 8.773 -8.066 -2.531
62 HG23 THR 8 HG23 THR 8 9.998 -8.862 -1.543
63 H ILE 9 HN ILE 9 8.445 -3.190 -1.408
64 HA ILE 9 HA ILE 9 8.744 -2.580 1.387
65 HB ILE 9 HB ILE 9 8.642 -1.161 -1.167
66 HG12 ILE 9 HG12 ILE 9 10.727 -1.512 0.068
67 HG13 ILE 9 HG11 ILE 9 10.388 0.206 -0.112
68 HG21 ILE 9 HG21 ILE 9 7.566 0.157 1.323
69 HG22 ILE 9 HG22 ILE 9 6.729 -0.085 -0.211
70 HG23 ILE 9 HG23 ILE 9 8.091 1.031 -0.117
71 HD11 ILE 9 HD11 ILE 9 9.910 -1.433 2.366
72 HD12 ILE 9 HD12 ILE 9 9.575 0.289 2.185
73 HD13 ILE 9 HD13 ILE 9 11.235 -0.300 2.103
74 H LEU 10 HN LEU 10 6.234 -2.497 -1.057
75 HA LEU 10 HA LEU 10 4.169 -2.916 0.901
76 HB2 LEU 10 HB2 LEU 10 4.182 -0.628 1.246
77 HB3 LEU 10 HB1 LEU 10 4.587 -0.275 -0.422
78 HG LEU 10 HG LEU 10 2.010 -1.556 -0.276
79 HD11 LEU 10 HD11 LEU 10 1.992 -0.611 1.993
80 HD12 LEU 10 HD12 LEU 10 0.794 0.140 0.936
81 HD13 LEU 10 HD13 LEU 10 2.296 0.987 1.311
82 HD21 LEU 10 HD21 LEU 10 1.356 0.285 -1.625
83 HD22 LEU 10 HD22 LEU 10 3.000 -0.154 -2.100
84 HD23 LEU 10 HD23 LEU 10 2.724 1.253 -1.074
85 H GLY 11 HN GLY 11 2.378 -3.849 0.010
86 HA2 GLY 11 HA2 GLY 11 2.211 -3.909 -2.933
87 HA3 GLY 11 HA1 GLY 11 2.125 -5.398 -2.003
88 H ARG 12 HN ARG 12 0.651 -2.213 -1.446
89 HA ARG 12 HA ARG 12 -1.501 -1.577 -1.085
90 HB2 ARG 12 HB1 ARG 12 -2.084 -3.854 -2.988
91 HB3 ARG 12 HB2 ARG 12 -3.229 -2.601 -2.527
92 HG2 ARG 12 HG2 ARG 12 -1.794 -0.908 -3.539
93 HG3 ARG 12 HG1 ARG 12 -0.636 -2.159 -3.994
94 HD2 ARG 12 HD1 ARG 12 -3.498 -1.980 -4.930
95 HD3 ARG 12 HD2 ARG 12 -2.077 -1.531 -5.873
96 HE ARG 12 HE ARG 12 -1.837 -4.198 -4.990
97 HH11 ARG 12 HH11 ARG 12 -3.861 -3.533 -8.380
98 HH12 ARG 12 HH12 ARG 12 -3.609 -2.236 -7.259
99 HH21 ARG 12 HH21 ARG 12 -2.163 -5.911 -6.460
100 HH22 ARG 12 HH22 ARG 12 -3.039 -5.621 -7.926
101 H VAL 13 HN VAL 13 -0.242 -3.809 0.518
102 HA VAL 13 HA VAL 13 -2.541 -5.364 1.376
103 HB VAL 13 HB VAL 13 -0.942 -6.390 2.991
104 HG11 VAL 13 HG21 VAL 13 -1.323 -7.407 0.816
105 HG12 VAL 13 HG22 VAL 13 0.362 -7.601 1.300
106 HG13 VAL 13 HG23 VAL 13 -0.077 -6.384 0.101
107 HG21 VAL 13 HG11 VAL 13 0.560 -4.492 3.275
108 HG22 VAL 13 HG12 VAL 13 1.076 -4.636 1.596
109 HG23 VAL 13 HG13 VAL 13 1.449 -5.920 2.746
110 H ASN 14 HN ASN 14 -1.280 -2.353 2.056
111 HA ASN 14 HA ASN 14 -2.581 -2.329 4.699
112 HB2 ASN 14 HB1 ASN 14 -0.154 -2.142 4.971
113 HB3 ASN 14 HB2 ASN 14 -0.124 -0.777 3.859
114 HD21 ASN 14 HD21 ASN 14 -1.248 -0.308 7.726
115 HD22 ASN 14 HD22 ASN 14 -1.010 -1.872 7.033
116 H LYS 15 HN LYS 15 -4.043 -0.750 5.062
117 HA LYS 15 HA LYS 15 -4.143 1.582 3.326
118 HB2 LYS 15 HB1 LYS 15 -5.488 -0.086 2.131
119 HB3 LYS 15 HB2 LYS 15 -6.464 -0.340 3.570
120 HG2 LYS 15 HG1 LYS 15 -7.267 1.955 3.449
121 HG3 LYS 15 HG2 LYS 15 -6.265 2.236 2.024
122 HD2 LYS 15 HD1 LYS 15 -7.506 0.514 0.808
123 HD3 LYS 15 HD2 LYS 15 -8.505 0.224 2.234
124 HE2 LYS 15 HE1 LYS 15 -8.322 2.819 0.709
125 HE3 LYS 15 HE2 LYS 15 -9.642 1.655 0.603
126 HZ1 LYS 15 HZ1 LYS 15 -10.192 3.478 2.083
127 HZ2 LYS 15 HZ2 LYS 15 -8.843 3.143 3.046
128 HZ3 LYS 15 HZ3 LYS 15 -10.108 2.024 2.945
129 H HIS 16 HN HIS 16 -3.970 3.060 4.901
130 HA HIS 16 HA HIS 16 -4.494 4.370 6.681
131 HB2 HIS 16 HB2 HIS 16 -7.189 3.026 6.396
132 HB3 HIS 16 HB1 HIS 16 -6.870 4.436 7.400
133 HD1 HIS 16 HD1 HIS 16 -7.757 3.450 4.001
134 HD2 HIS 16 HD2 HIS 16 -6.104 6.783 5.852
135 HE1 HIS 16 HE1 HIS 16 -7.981 5.324 2.338
136 HE2 HIS 16 HE2 HIS 16 -6.974 7.332 3.479
137 H SER 17 HN SER 17 -3.339 3.818 8.412
138 HA SER 17 HA SER 17 -3.791 1.332 9.811
139 HB2 SER 17 HB1 SER 17 -1.914 2.064 11.241
140 HB3 SER 17 HB2 SER 17 -1.503 2.157 9.528
141 HG SER 17 HG SER 17 -2.584 4.476 10.287
142 H THR 18 HN THR 18 -5.627 3.888 9.764
143 HA THR 18 HA THR 18 -5.845 4.844 12.388
144 HB THR 18 HB THR 18 -8.108 4.541 10.402
145 HG1 THR 18 HG1 THR 18 -6.568 6.886 10.727
146 HG21 THR 18 HG21 THR 18 -9.037 6.501 11.560
147 HG22 THR 18 HG22 THR 18 -7.691 6.461 12.698
148 HG23 THR 18 HG23 THR 18 -8.848 5.131 12.653
149 H SER 19 HN SER 19 -6.647 1.813 11.049
150 HA SER 19 HA SER 19 -8.814 0.961 12.543
151 HB2 SER 19 HB2 SER 19 -6.400 -0.617 11.624
152 HB3 SER 19 HB1 SER 19 -7.892 -1.338 12.229
153 HG SER 19 HG SER 19 -7.515 -0.925 9.812
154 H ILE 20 HN ILE 20 -9.137 0.265 14.584
155 HA ILE 20 HA ILE 20 -6.825 0.357 16.407
156 HB ILE 20 HB ILE 20 -8.657 0.698 18.190
157 HG12 ILE 20 HG12 ILE 20 -10.610 2.024 17.197
158 HG13 ILE 20 HG11 ILE 20 -10.161 1.317 15.649
159 HG21 ILE 20 HG21 ILE 20 -8.021 2.867 16.196
160 HG22 ILE 20 HG22 ILE 20 -7.035 2.394 17.580
161 HG23 ILE 20 HG23 ILE 20 -8.620 3.125 17.835
162 HD11 ILE 20 HD11 ILE 20 -11.988 0.113 16.737
163 HD12 ILE 20 HD12 ILE 20 -10.932 -0.238 18.105
164 HD13 ILE 20 HD13 ILE 20 -10.564 -0.902 16.514
165 H GLY 21 HN GLY 21 -8.593 -1.824 14.834
166 HA2 GLY 21 HA1 GLY 21 -9.447 -3.598 16.890
167 HA3 GLY 21 HA2 GLY 21 -9.225 -4.007 15.195
168 H LYS 22 HN LYS 22 -6.362 -2.767 15.861
169 HA LYS 22 HA LYS 22 -5.068 -5.288 16.051
170 HB2 LYS 22 HB1 LYS 22 -3.940 -2.503 16.384
171 HB3 LYS 22 HB2 LYS 22 -2.988 -3.968 16.179
172 HG2 LYS 22 HG2 LYS 22 -3.947 -4.293 13.963
173 HG3 LYS 22 HG1 LYS 22 -4.925 -2.839 14.168
174 HD2 LYS 22 HD2 LYS 22 -3.000 -2.281 12.848
175 HD3 LYS 22 HD1 LYS 22 -2.825 -1.534 14.437
176 HE2 LYS 22 HE1 LYS 22 -0.723 -2.523 13.700
177 HE3 LYS 22 HE2 LYS 22 -1.342 -3.345 15.133
178 HZ1 LYS 22 HZ1 LYS 22 -1.588 -4.315 12.336
179 HZ2 LYS 22 HZ2 LYS 22 -2.200 -5.100 13.705
180 HZ3 LYS 22 HZ3 LYS 22 -0.529 -4.925 13.508
Start of MODEL 17
1 H1 ACE 0 HA1 ACE 0 4.053 -4.163 -4.663
2 H2 ACE 0 HA2 ACE 0 4.165 -4.349 -6.412
3 H3 ACE 0 HA3 ACE 0 3.347 -2.933 -5.755
4 H MET 1 HN MET 1 4.515 -1.199 -6.125
5 HA MET 1 HA MET 1 7.408 -1.350 -6.249
6 HB2 MET 1 HB2 MET 1 6.181 -0.022 -7.910
7 HB3 MET 1 HB1 MET 1 5.539 0.997 -6.629
8 HG2 MET 1 HG1 MET 1 7.373 2.090 -7.772
9 HG3 MET 1 HG2 MET 1 7.790 1.756 -6.092
10 HE1 MET 1 HE1 MET 1 7.704 -0.786 -9.112
11 HE2 MET 1 HE2 MET 1 9.371 -0.677 -9.682
12 HE3 MET 1 HE3 MET 1 8.294 0.712 -9.830
13 H ASP 2 HN ASP 2 8.817 -0.575 -4.771
14 HA ASP 2 HA ASP 2 8.083 1.267 -2.717
15 HB2 ASP 2 HB2 ASP 2 8.485 -0.276 -0.803
16 HB3 ASP 2 HB1 ASP 2 7.033 -0.671 -1.718
17 H TRP 3 HN TRP 3 9.930 1.497 -1.091
18 HA TRP 3 HA TRP 3 12.123 1.954 -0.683
19 HB2 TRP 3 HB2 TRP 3 12.660 -0.344 -0.601
20 HB3 TRP 3 HB1 TRP 3 12.410 -0.553 -2.332
21 HD1 TRP 3 HD1 TRP 3 14.679 -0.981 -3.490
22 HE1 TRP 3 HE1 TRP 3 17.085 -0.101 -3.219
23 HE3 TRP 3 HE3 TRP 3 13.915 2.125 0.408
24 HZ2 TRP 3 HZ2 TRP 3 18.475 1.712 -1.535
25 HZ3 TRP 3 HZ3 TRP 3 15.808 3.424 1.329
26 HH2 TRP 3 HH2 TRP 3 18.047 3.216 0.365
27 H GLY 4 HN GLY 4 12.553 0.658 -3.886
28 HA2 GLY 4 HA1 GLY 4 12.589 3.001 -5.391
29 HA3 GLY 4 HA2 GLY 4 14.222 2.714 -4.780
30 H THR 5 HN THR 5 13.833 -0.141 -4.699
31 HA THR 5 HA THR 5 13.201 -1.165 -7.286
32 HB THR 5 HB THR 5 16.112 -1.401 -6.518
33 HG1 THR 5 HG1 THR 5 15.005 0.460 -8.375
34 HG21 THR 5 HG21 THR 5 16.363 -1.983 -8.901
35 HG22 THR 5 HG22 THR 5 14.621 -1.806 -9.114
36 HG23 THR 5 HG23 THR 5 15.257 -3.074 -8.067
37 H LEU 6 HN LEU 6 12.835 -1.472 -4.304
38 HA LEU 6 HA LEU 6 13.687 -4.272 -3.957
39 HB2 LEU 6 HB1 LEU 6 14.246 -2.320 -2.295
40 HB3 LEU 6 HB2 LEU 6 12.598 -2.558 -1.753
41 HG LEU 6 HG LEU 6 13.816 -5.109 -1.788
42 HD11 LEU 6 HD21 LEU 6 15.990 -4.036 -1.863
43 HD12 LEU 6 HD22 LEU 6 15.719 -4.737 -0.267
44 HD13 LEU 6 HD23 LEU 6 15.548 -2.997 -0.508
45 HD21 LEU 6 HD11 LEU 6 12.073 -4.402 -0.264
46 HD22 LEU 6 HD12 LEU 6 13.157 -3.215 0.463
47 HD23 LEU 6 HD13 LEU 6 13.484 -4.938 0.649
48 H GLN 7 HN GLN 7 11.953 -5.046 -1.991
49 HA GLN 7 HA GLN 7 9.264 -4.515 -2.908
50 HB2 GLN 7 HB1 GLN 7 9.440 -6.368 -4.239
51 HB3 GLN 7 HB2 GLN 7 10.728 -7.068 -3.272
52 HG2 GLN 7 HG1 GLN 7 8.880 -8.506 -3.071
53 HG3 GLN 7 HG2 GLN 7 9.003 -7.621 -1.550
54 HE21 GLN 7 HE21 GLN 7 5.895 -6.079 -1.818
55 HE22 GLN 7 HE22 GLN 7 7.393 -6.210 -0.968
56 H THR 8 HN THR 8 11.070 -6.713 -0.726
57 HA THR 8 HA THR 8 9.058 -6.738 1.239
58 HB THR 8 HB THR 8 10.647 -8.491 1.385
59 HG1 THR 8 HG1 THR 8 10.008 -7.318 3.431
60 HG21 THR 8 HG21 THR 8 12.495 -7.381 0.217
61 HG22 THR 8 HG22 THR 8 13.045 -8.134 1.715
62 HG23 THR 8 HG23 THR 8 12.802 -6.389 1.643
63 H ILE 9 HN ILE 9 8.348 -4.726 1.583
64 HA ILE 9 HA ILE 9 9.874 -3.114 3.423
65 HB ILE 9 HB ILE 9 9.427 -2.447 0.602
66 HG12 ILE 9 HG12 ILE 9 11.653 -2.787 1.580
67 HG13 ILE 9 HG11 ILE 9 11.483 -1.178 0.888
68 HG21 ILE 9 HG21 ILE 9 8.984 -0.379 2.749
69 HG22 ILE 9 HG22 ILE 9 7.856 -0.881 1.488
70 HG23 ILE 9 HG23 ILE 9 9.321 0.004 1.060
71 HD11 ILE 9 HD11 ILE 9 11.146 -0.255 3.122
72 HD12 ILE 9 HD12 ILE 9 12.683 -1.110 2.995
73 HD13 ILE 9 HD13 ILE 9 11.318 -1.868 3.813
74 H LEU 10 HN LEU 10 6.980 -3.609 1.540
75 HA LEU 10 HA LEU 10 4.768 -3.330 1.960
76 HB2 LEU 10 HB1 LEU 10 5.925 -4.073 4.377
77 HB3 LEU 10 HB2 LEU 10 4.923 -2.706 4.768
78 HG LEU 10 HG LEU 10 3.738 -4.840 5.084
79 HD11 LEU 10 HD11 LEU 10 1.717 -4.257 3.843
80 HD12 LEU 10 HD12 LEU 10 2.652 -3.158 2.831
81 HD13 LEU 10 HD13 LEU 10 2.469 -2.829 4.553
82 HD21 LEU 10 HD21 LEU 10 4.060 -5.151 2.104
83 HD22 LEU 10 HD22 LEU 10 3.108 -6.191 3.162
84 HD23 LEU 10 HD23 LEU 10 4.861 -6.127 3.335
85 H GLY 11 HN GLY 11 4.256 -1.440 0.977
86 HA2 GLY 11 HA2 GLY 11 4.785 0.976 2.536
87 HA3 GLY 11 HA1 GLY 11 4.538 0.958 0.793
88 H ARG 12 HN ARG 12 2.493 -0.998 2.742
89 HA ARG 12 HA ARG 12 0.264 -0.976 3.161
90 HB2 ARG 12 HB1 ARG 12 0.856 1.968 3.478
91 HB3 ARG 12 HB2 ARG 12 -0.711 1.260 3.839
92 HG2 ARG 12 HG1 ARG 12 0.407 1.432 5.896
93 HG3 ARG 12 HG2 ARG 12 0.494 -0.273 5.449
94 HD2 ARG 12 HD1 ARG 12 2.766 0.050 4.625
95 HD3 ARG 12 HD2 ARG 12 2.681 1.763 5.033
96 HE ARG 12 HE ARG 12 2.132 0.251 7.332
97 HH11 ARG 12 HH11 ARG 12 5.990 0.795 6.407
98 HH12 ARG 12 HH12 ARG 12 4.776 0.999 5.190
99 HH21 ARG 12 HH21 ARG 12 3.724 -0.022 8.942
100 HH22 ARG 12 HH22 ARG 12 5.392 0.214 8.541
101 H VAL 13 HN VAL 13 1.323 -0.504 0.378
102 HA VAL 13 HA VAL 13 -0.780 1.050 -0.879
103 HB VAL 13 HB VAL 13 0.350 0.502 -2.996
104 HG11 VAL 13 HG11 VAL 13 1.064 2.458 -1.732
105 HG12 VAL 13 HG12 VAL 13 2.432 1.718 -2.565
106 HG13 VAL 13 HG13 VAL 13 2.216 1.470 -0.832
107 HG21 VAL 13 HG21 VAL 13 1.137 -1.731 -2.455
108 HG22 VAL 13 HG22 VAL 13 2.244 -1.070 -1.252
109 HG23 VAL 13 HG23 VAL 13 2.485 -0.714 -2.963
110 H ASN 14 HN ASN 14 -0.600 -1.995 0.329
111 HA ASN 14 HA ASN 14 -2.194 -3.233 -1.795
112 HB2 ASN 14 HB2 ASN 14 -1.856 -5.333 -0.546
113 HB3 ASN 14 HB1 ASN 14 -0.326 -4.556 -0.943
114 HD21 ASN 14 HD21 ASN 14 -2.550 -5.387 1.585
115 HD22 ASN 14 HD22 ASN 14 -1.486 -5.062 2.907
116 H LYS 15 HN LYS 15 -3.891 -4.858 -0.734
117 HA LYS 15 HA LYS 15 -5.876 -3.181 0.457
118 HB2 LYS 15 HB1 LYS 15 -6.462 -4.943 -1.151
119 HB3 LYS 15 HB2 LYS 15 -5.883 -6.167 -0.029
120 HG2 LYS 15 HG2 LYS 15 -7.621 -5.535 1.565
121 HG3 LYS 15 HG1 LYS 15 -8.198 -4.299 0.446
122 HD2 LYS 15 HD1 LYS 15 -9.602 -6.238 0.240
123 HD3 LYS 15 HD2 LYS 15 -8.629 -6.087 -1.224
124 HE2 LYS 15 HE1 LYS 15 -8.732 -8.405 -0.466
125 HE3 LYS 15 HE2 LYS 15 -7.085 -7.778 -0.386
126 HZ1 LYS 15 HZ1 LYS 15 -8.959 -8.043 1.904
127 HZ2 LYS 15 HZ2 LYS 15 -7.394 -7.409 1.990
128 HZ3 LYS 15 HZ3 LYS 15 -7.624 -9.036 1.591
129 H HIS 16 HN HIS 16 -4.653 -6.339 1.582
130 HA HIS 16 HA HIS 16 -4.132 -5.341 4.222
131 HB2 HIS 16 HB1 HIS 16 -6.595 -5.589 4.285
132 HB3 HIS 16 HB2 HIS 16 -6.421 -7.285 3.851
133 HD1 HIS 16 HD1 HIS 16 -6.062 -4.920 6.708
134 HD2 HIS 16 HD2 HIS 16 -5.523 -8.966 5.923
135 HE1 HIS 16 HE1 HIS 16 -5.802 -6.013 8.958
136 HE2 HIS 16 HE2 HIS 16 -5.478 -8.462 8.459
137 H SER 17 HN SER 17 -4.538 -8.077 2.054
138 HA SER 17 HA SER 17 -2.138 -9.288 3.188
139 HB2 SER 17 HB1 SER 17 -3.194 -11.521 3.290
140 HB3 SER 17 HB2 SER 17 -3.968 -10.383 4.392
141 HG SER 17 HG SER 17 -5.128 -11.817 2.542
142 H THR 18 HN THR 18 -3.659 -8.159 0.587
143 HA THR 18 HA THR 18 -3.407 -10.129 -1.391
144 HB THR 18 HB THR 18 -3.060 -7.149 -1.777
145 HG1 THR 18 HG1 THR 18 -5.441 -8.720 -1.826
146 HG21 THR 18 HG21 THR 18 -2.429 -8.466 -3.732
147 HG22 THR 18 HG22 THR 18 -3.938 -7.602 -4.030
148 HG23 THR 18 HG23 THR 18 -3.967 -9.327 -3.664
149 H SER 19 HN SER 19 -1.046 -8.336 0.306
150 HA SER 19 HA SER 19 1.044 -8.127 -1.505
151 HB2 SER 19 HB1 SER 19 1.173 -7.098 0.684
152 HB3 SER 19 HB2 SER 19 1.128 -8.677 1.470
153 HG SER 19 HG SER 19 3.257 -7.888 1.329
154 H ILE 20 HN ILE 20 1.970 -9.637 -2.706
155 HA ILE 20 HA ILE 20 1.944 -12.419 -1.809
156 HB ILE 20 HB ILE 20 1.137 -11.996 -4.072
157 HG12 ILE 20 HG11 ILE 20 2.641 -13.566 -5.301
158 HG13 ILE 20 HG12 ILE 20 3.796 -13.439 -3.978
159 HG21 ILE 20 HG21 ILE 20 2.415 -9.982 -4.553
160 HG22 ILE 20 HG22 ILE 20 2.638 -11.185 -5.824
161 HG23 ILE 20 HG23 ILE 20 3.902 -10.928 -4.622
162 HD11 ILE 20 HD11 ILE 20 0.997 -14.523 -3.782
163 HD12 ILE 20 HD12 ILE 20 2.145 -14.384 -2.450
164 HD13 ILE 20 HD13 ILE 20 2.487 -15.466 -3.800
165 H GLY 21 HN GLY 21 3.766 -13.620 -1.450
166 HA2 GLY 21 HA2 GLY 21 6.341 -13.261 -2.214
167 HA3 GLY 21 HA1 GLY 21 6.179 -12.142 -0.868
168 H LYS 22 HN LYS 22 4.202 -13.995 0.422
169 HA LYS 22 HA LYS 22 6.194 -15.707 1.698
170 HB2 LYS 22 HB1 LYS 22 3.356 -15.049 2.511
171 HB3 LYS 22 HB2 LYS 22 4.486 -16.012 3.453
172 HG2 LYS 22 HG1 LYS 22 5.962 -14.082 3.670
173 HG3 LYS 22 HG2 LYS 22 4.836 -13.113 2.717
174 HD2 LYS 22 HD2 LYS 22 3.103 -13.466 4.413
175 HD3 LYS 22 HD1 LYS 22 4.238 -14.422 5.369
176 HE2 LYS 22 HE2 LYS 22 4.558 -11.515 4.631
177 HE3 LYS 22 HE1 LYS 22 4.065 -12.131 6.208
178 HZ1 LYS 22 HZ1 LYS 22 6.408 -11.577 6.181
179 HZ2 LYS 22 HZ2 LYS 22 6.679 -12.637 4.892
180 HZ3 LYS 22 HZ3 LYS 22 6.206 -13.242 6.399
Start of MODEL 18
1 H1 ACE 0 HA1 ACE 0 7.666 -1.214 -10.569
2 H2 ACE 0 HA2 ACE 0 8.993 -1.043 -11.715
3 H3 ACE 0 HA3 ACE 0 8.381 0.393 -10.896
4 H MET 1 HN MET 1 10.268 0.975 -9.915
5 HA MET 1 HA MET 1 11.492 -0.965 -8.083
6 HB2 MET 1 HB2 MET 1 12.534 1.697 -9.073
7 HB3 MET 1 HB1 MET 1 13.398 0.595 -8.009
8 HG2 MET 1 HG1 MET 1 12.555 0.020 -10.840
9 HG3 MET 1 HG2 MET 1 14.184 0.422 -10.302
10 HE1 MET 1 HE1 MET 1 14.380 -1.163 -7.560
11 HE2 MET 1 HE2 MET 1 15.671 -1.159 -8.761
12 HE3 MET 1 HE3 MET 1 15.092 -2.685 -8.092
13 H ASP 2 HN ASP 2 12.351 0.018 -6.007
14 HA ASP 2 HA ASP 2 11.078 2.322 -4.925
15 HB2 ASP 2 HB2 ASP 2 9.738 1.122 -3.191
16 HB3 ASP 2 HB1 ASP 2 9.116 0.925 -4.827
17 H TRP 3 HN TRP 3 11.699 2.720 -2.699
18 HA TRP 3 HA TRP 3 13.239 2.828 -1.026
19 HB2 TRP 3 HB2 TRP 3 12.410 0.590 -0.441
20 HB3 TRP 3 HB1 TRP 3 13.547 -0.129 -1.577
21 HD1 TRP 3 HD1 TRP 3 15.572 -1.140 -0.338
22 HE1 TRP 3 HE1 TRP 3 16.923 -0.561 1.776
23 HE3 TRP 3 HE3 TRP 3 13.046 2.996 1.065
24 HZ2 TRP 3 HZ2 TRP 3 16.901 1.433 3.793
25 HZ3 TRP 3 HZ3 TRP 3 13.741 4.220 3.098
26 HH2 TRP 3 HH2 TRP 3 15.638 3.445 4.433
27 H GLY 4 HN GLY 4 15.581 2.582 -0.528
28 HA2 GLY 4 HA1 GLY 4 17.197 3.422 -2.631
29 HA3 GLY 4 HA2 GLY 4 17.772 2.771 -1.099
30 H THR 5 HN THR 5 16.081 0.322 -1.819
31 HA THR 5 HA THR 5 16.924 -0.995 -4.082
32 HB THR 5 HB THR 5 19.215 -0.883 -3.447
33 HG1 THR 5 HG1 THR 5 18.768 -2.934 -4.166
34 HG21 THR 5 HG21 THR 5 20.059 -1.605 -1.269
35 HG22 THR 5 HG22 THR 5 18.414 -1.946 -0.735
36 HG23 THR 5 HG23 THR 5 18.901 -0.288 -1.086
37 H LEU 6 HN LEU 6 14.656 -1.433 -3.498
38 HA LEU 6 HA LEU 6 14.406 -3.974 -2.103
39 HB2 LEU 6 HB1 LEU 6 14.113 -1.980 -0.486
40 HB3 LEU 6 HB2 LEU 6 12.593 -1.715 -1.313
41 HG LEU 6 HG LEU 6 12.682 -4.444 -0.523
42 HD11 LEU 6 HD21 LEU 6 14.383 -3.854 1.095
43 HD12 LEU 6 HD22 LEU 6 12.853 -4.137 1.926
44 HD13 LEU 6 HD23 LEU 6 13.417 -2.486 1.653
45 HD21 LEU 6 HD11 LEU 6 11.146 -2.037 0.446
46 HD22 LEU 6 HD12 LEU 6 10.748 -3.709 0.851
47 HD23 LEU 6 HD13 LEU 6 10.663 -3.163 -0.824
48 H GLN 7 HN GLN 7 11.806 -4.368 -2.015
49 HA GLN 7 HA GLN 7 10.491 -3.352 -4.365
50 HB2 GLN 7 HB2 GLN 7 11.355 -6.222 -4.123
51 HB3 GLN 7 HB1 GLN 7 9.956 -5.776 -5.089
52 HG2 GLN 7 HG2 GLN 7 12.801 -4.894 -5.492
53 HG3 GLN 7 HG1 GLN 7 11.855 -5.967 -6.522
54 HE21 GLN 7 HE21 GLN 7 9.692 -2.921 -7.206
55 HE22 GLN 7 HE22 GLN 7 9.444 -4.297 -6.190
56 H THR 8 HN THR 8 10.443 -5.273 -1.450
57 HA THR 8 HA THR 8 7.579 -5.569 -1.498
58 HB THR 8 HB THR 8 7.798 -6.655 0.667
59 HG1 THR 8 HG1 THR 8 9.946 -5.125 0.796
60 HG21 THR 8 HG21 THR 8 10.006 -7.509 -1.216
61 HG22 THR 8 HG22 THR 8 8.318 -8.008 -1.316
62 HG23 THR 8 HG23 THR 8 9.300 -8.498 0.064
63 H ILE 9 HN ILE 9 8.086 -3.030 -1.793
64 HA ILE 9 HA ILE 9 7.797 -1.691 0.775
65 HB ILE 9 HB ILE 9 8.996 -1.092 -1.728
66 HG12 ILE 9 HG12 ILE 9 10.033 -0.771 0.468
67 HG13 ILE 9 HG11 ILE 9 10.056 0.722 -0.462
68 HG21 ILE 9 HG21 ILE 9 8.224 1.238 -2.037
69 HG22 ILE 9 HG22 ILE 9 6.945 0.942 -0.859
70 HG23 ILE 9 HG23 ILE 9 6.972 0.043 -2.376
71 HD11 ILE 9 HD11 ILE 9 8.126 0.053 1.747
72 HD12 ILE 9 HD12 ILE 9 8.156 1.553 0.819
73 HD13 ILE 9 HD13 ILE 9 9.513 1.138 1.865
74 H LEU 10 HN LEU 10 6.041 -2.653 -1.992
75 HA LEU 10 HA LEU 10 3.619 -1.398 -0.911
76 HB2 LEU 10 HB1 LEU 10 4.915 -0.582 -3.259
77 HB3 LEU 10 HB2 LEU 10 3.533 -1.508 -3.789
78 HG LEU 10 HG LEU 10 3.148 0.965 -3.601
79 HD11 LEU 10 HD11 LEU 10 0.948 0.745 -2.612
80 HD12 LEU 10 HD12 LEU 10 1.419 -0.771 -1.845
81 HD13 LEU 10 HD13 LEU 10 1.313 -0.667 -3.602
82 HD21 LEU 10 HD21 LEU 10 4.470 1.301 -1.546
83 HD22 LEU 10 HD22 LEU 10 3.242 0.414 -0.642
84 HD23 LEU 10 HD23 LEU 10 2.830 1.941 -1.420
85 H GLY 11 HN GLY 11 1.636 -2.342 -1.772
86 HA2 GLY 11 HA2 GLY 11 1.679 -4.760 -3.243
87 HA3 GLY 11 HA1 GLY 11 1.519 -5.090 -1.522
88 H ARG 12 HN ARG 12 0.230 -2.163 -2.816
89 HA ARG 12 HA ARG 12 -1.870 -1.331 -2.972
90 HB2 ARG 12 HB2 ARG 12 -1.892 -3.119 -4.792
91 HB3 ARG 12 HB1 ARG 12 -2.760 -4.134 -3.651
92 HG2 ARG 12 HG1 ARG 12 -4.328 -3.094 -5.133
93 HG3 ARG 12 HG2 ARG 12 -4.527 -2.410 -3.518
94 HD2 ARG 12 HD1 ARG 12 -3.180 -0.470 -4.188
95 HD3 ARG 12 HD2 ARG 12 -3.018 -1.149 -5.806
96 HE ARG 12 HE ARG 12 -5.740 -0.966 -5.207
97 HH11 ARG 12 HH11 ARG 12 -3.975 2.426 -6.397
98 HH12 ARG 12 HH12 ARG 12 -3.013 1.129 -5.767
99 HH21 ARG 12 HH21 ARG 12 -6.248 2.201 -6.546
100 HH22 ARG 12 HH22 ARG 12 -7.014 0.735 -6.033
101 H VAL 13 HN VAL 13 -0.894 -2.715 -0.468
102 HA VAL 13 HA VAL 13 -3.529 -3.008 0.820
103 HB VAL 13 HB VAL 13 -2.426 -5.176 0.769
104 HG11 VAL 13 HG21 VAL 13 -0.291 -5.550 1.904
105 HG12 VAL 13 HG22 VAL 13 -0.154 -3.821 2.218
106 HG13 VAL 13 HG23 VAL 13 -0.118 -4.422 0.561
107 HG21 VAL 13 HG11 VAL 13 -2.421 -5.670 3.166
108 HG22 VAL 13 HG12 VAL 13 -3.775 -4.632 2.722
109 HG23 VAL 13 HG13 VAL 13 -2.361 -3.943 3.520
110 H ASN 14 HN ASN 14 -3.859 -1.931 2.718
111 HA ASN 14 HA ASN 14 -1.610 -0.351 3.775
112 HB2 ASN 14 HB1 ASN 14 -4.466 0.587 3.429
113 HB3 ASN 14 HB2 ASN 14 -3.173 1.509 4.190
114 HD21 ASN 14 HD21 ASN 14 -1.466 1.444 0.824
115 HD22 ASN 14 HD22 ASN 14 -1.162 0.593 2.296
116 H LYS 15 HN LYS 15 -1.179 -1.398 5.626
117 HA LYS 15 HA LYS 15 -1.394 -2.184 7.744
118 HB2 LYS 15 HB1 LYS 15 -2.311 0.066 8.156
119 HB3 LYS 15 HB2 LYS 15 -3.920 -0.523 7.760
120 HG2 LYS 15 HG2 LYS 15 -3.849 -2.036 9.668
121 HG3 LYS 15 HG1 LYS 15 -2.221 -1.476 10.057
122 HD2 LYS 15 HD2 LYS 15 -3.087 0.791 10.398
123 HD3 LYS 15 HD1 LYS 15 -4.714 0.224 10.020
124 HE2 LYS 15 HE2 LYS 15 -4.633 -1.291 11.937
125 HE3 LYS 15 HE1 LYS 15 -3.005 -0.730 12.314
126 HZ1 LYS 15 HZ1 LYS 15 -3.891 1.488 12.680
127 HZ2 LYS 15 HZ2 LYS 15 -4.656 0.367 13.690
128 HZ3 LYS 15 HZ3 LYS 15 -5.453 0.950 12.317
129 H HIS 16 HN HIS 16 -4.883 -1.970 7.240
130 HA HIS 16 HA HIS 16 -5.158 -4.757 6.599
131 HB2 HIS 16 HB1 HIS 16 -4.743 -4.882 9.028
132 HB3 HIS 16 HB2 HIS 16 -6.097 -3.793 9.310
133 HD1 HIS 16 HD1 HIS 16 -5.278 -7.331 8.502
134 HD2 HIS 16 HD2 HIS 16 -8.650 -4.950 8.984
135 HE1 HIS 16 HE1 HIS 16 -7.213 -8.930 8.665
136 HE2 HIS 16 HE2 HIS 16 -9.245 -7.467 8.957
137 H SER 17 HN SER 17 -6.675 -4.641 5.086
138 HA SER 17 HA SER 17 -9.281 -3.606 5.699
139 HB2 SER 17 HB1 SER 17 -9.361 -1.973 3.844
140 HB3 SER 17 HB2 SER 17 -8.173 -1.515 5.063
141 HG SER 17 HG SER 17 -7.191 -1.291 3.097
142 H THR 18 HN THR 18 -7.486 -5.888 4.459
143 HA THR 18 HA THR 18 -8.720 -6.367 1.914
144 HB THR 18 HB THR 18 -6.479 -7.231 2.371
145 HG1 THR 18 HG1 THR 18 -7.806 -8.398 0.898
146 HG21 THR 18 HG21 THR 18 -7.833 -9.002 4.408
147 HG22 THR 18 HG22 THR 18 -6.726 -7.676 4.764
148 HG23 THR 18 HG23 THR 18 -6.144 -9.107 3.912
149 H SER 19 HN SER 19 -10.137 -6.265 4.729
150 HA SER 19 HA SER 19 -11.483 -8.807 4.832
151 HB2 SER 19 HB1 SER 19 -11.068 -7.621 6.906
152 HB3 SER 19 HB2 SER 19 -11.946 -6.210 6.317
153 HG SER 19 HG SER 19 -12.907 -8.655 7.253
154 H ILE 20 HN ILE 20 -11.678 -6.865 2.470
155 HA ILE 20 HA ILE 20 -14.575 -6.442 2.409
156 HB ILE 20 HB ILE 20 -14.154 -5.161 0.339
157 HG12 ILE 20 HG12 ILE 20 -11.228 -5.625 0.965
158 HG13 ILE 20 HG11 ILE 20 -12.107 -6.407 -0.344
159 HG21 ILE 20 HG21 ILE 20 -13.049 -3.256 1.410
160 HG22 ILE 20 HG22 ILE 20 -12.480 -4.314 2.701
161 HG23 ILE 20 HG23 ILE 20 -14.208 -4.026 2.492
162 HD11 ILE 20 HD11 ILE 20 -11.617 -3.452 -0.065
163 HD12 ILE 20 HD12 ILE 20 -12.509 -4.230 -1.372
164 HD13 ILE 20 HD13 ILE 20 -10.787 -4.552 -1.167
165 H GLY 21 HN GLY 21 -15.738 -6.993 0.396
166 HA2 GLY 21 HA1 GLY 21 -15.736 -8.291 -1.678
167 HA3 GLY 21 HA2 GLY 21 -14.612 -9.396 -0.902
168 H LYS 22 HN LYS 22 -17.177 -8.205 1.044
169 HA LYS 22 HA LYS 22 -18.940 -10.432 0.435
170 HB2 LYS 22 HB1 LYS 22 -18.991 -11.064 2.903
171 HB3 LYS 22 HB2 LYS 22 -17.579 -11.567 1.987
172 HG2 LYS 22 HG2 LYS 22 -16.319 -9.675 2.893
173 HG3 LYS 22 HG1 LYS 22 -17.736 -9.186 3.825
174 HD2 LYS 22 HD1 LYS 22 -16.356 -11.855 4.087
175 HD3 LYS 22 HD2 LYS 22 -16.067 -10.472 5.144
176 HE2 LYS 22 HE1 LYS 22 -18.428 -10.485 5.798
177 HE3 LYS 22 HE2 LYS 22 -18.708 -11.875 4.751
178 HZ1 LYS 22 HZ1 LYS 22 -18.419 -12.554 7.044
179 HZ2 LYS 22 HZ2 LYS 22 -16.897 -11.820 7.104
180 HZ3 LYS 22 HZ3 LYS 22 -17.154 -13.152 6.094
Start of MODEL 19
1 H1 ACE 0 HA1 ACE 0 5.735 -4.492 -8.276
2 H2 ACE 0 HA2 ACE 0 5.104 -2.958 -7.681
3 H3 ACE 0 HA3 ACE 0 4.894 -4.406 -6.699
4 H MET 1 HN MET 1 6.667 -1.662 -7.026
5 HA MET 1 HA MET 1 8.849 -2.803 -5.421
6 HB2 MET 1 HB1 MET 1 9.172 -0.785 -7.651
7 HB3 MET 1 HB2 MET 1 10.450 -1.303 -6.560
8 HG2 MET 1 HG2 MET 1 10.239 -3.589 -7.406
9 HG3 MET 1 HG1 MET 1 8.973 -3.056 -8.511
10 HE1 MET 1 HE1 MET 1 10.941 -0.636 -10.883
11 HE2 MET 1 HE2 MET 1 10.062 -0.205 -9.417
12 HE3 MET 1 HE3 MET 1 9.382 -1.386 -10.537
13 H ASP 2 HN ASP 2 10.246 -0.673 -4.701
14 HA ASP 2 HA ASP 2 8.685 1.608 -4.018
15 HB2 ASP 2 HB1 ASP 2 7.744 -0.025 -2.413
16 HB3 ASP 2 HB2 ASP 2 9.363 -0.285 -1.771
17 H TRP 3 HN TRP 3 11.135 -0.072 -2.180
18 HA TRP 3 HA TRP 3 12.815 2.067 -1.699
19 HB2 TRP 3 HB2 TRP 3 13.087 -0.076 -0.558
20 HB3 TRP 3 HB1 TRP 3 13.557 -0.833 -2.074
21 HD1 TRP 3 HD1 TRP 3 16.120 -1.198 -2.199
22 HE1 TRP 3 HE1 TRP 3 18.197 0.029 -1.292
23 HE3 TRP 3 HE3 TRP 3 13.788 2.610 0.129
24 HZ2 TRP 3 HZ2 TRP 3 18.753 2.357 0.236
25 HZ3 TRP 3 HZ3 TRP 3 15.121 4.330 1.310
26 HH2 TRP 3 HH2 TRP 3 17.563 4.197 1.357
27 H GLY 4 HN GLY 4 15.014 2.440 -2.590
28 HA2 GLY 4 HA1 GLY 4 15.065 3.133 -5.234
29 HA3 GLY 4 HA2 GLY 4 16.503 2.719 -4.304
30 H THR 5 HN THR 5 15.648 0.023 -3.784
31 HA THR 5 HA THR 5 15.092 -1.444 -6.128
32 HB THR 5 HB THR 5 18.002 -1.529 -5.280
33 HG1 THR 5 HG1 THR 5 16.925 -0.601 -7.747
34 HG21 THR 5 HG21 THR 5 17.146 -3.685 -6.052
35 HG22 THR 5 HG22 THR 5 18.278 -3.003 -7.220
36 HG23 THR 5 HG23 THR 5 16.542 -2.926 -7.525
37 H LEU 6 HN LEU 6 13.704 -2.044 -4.212
38 HA LEU 6 HA LEU 6 14.846 -4.395 -2.901
39 HB2 LEU 6 HB1 LEU 6 14.763 -2.099 -1.540
40 HB3 LEU 6 HB2 LEU 6 13.140 -2.647 -1.210
41 HG LEU 6 HG LEU 6 14.655 -4.875 -0.630
42 HD11 LEU 6 HD21 LEU 6 16.740 -3.684 -0.938
43 HD12 LEU 6 HD22 LEU 6 16.506 -4.031 0.776
44 HD13 LEU 6 HD23 LEU 6 16.202 -2.406 0.156
45 HD21 LEU 6 HD11 LEU 6 12.893 -4.111 0.774
46 HD22 LEU 6 HD12 LEU 6 13.735 -2.599 1.113
47 HD23 LEU 6 HD13 LEU 6 14.362 -4.122 1.751
48 H GLN 7 HN GLN 7 12.441 -4.556 -1.150
49 HA GLN 7 HA GLN 7 10.129 -4.568 -2.777
50 HB2 GLN 7 HB1 GLN 7 9.959 -7.176 -2.688
51 HB3 GLN 7 HB2 GLN 7 10.885 -6.406 -3.970
52 HG2 GLN 7 HG1 GLN 7 12.030 -8.348 -2.981
53 HG3 GLN 7 HG2 GLN 7 12.949 -6.851 -2.823
54 HE21 GLN 7 HE21 GLN 7 13.024 -5.816 -0.763
55 HE22 GLN 7 HE22 GLN 7 12.776 -6.724 0.685
56 H THR 8 HN THR 8 8.323 -5.936 -1.765
57 HA THR 8 HA THR 8 6.962 -6.315 0.026
58 HB THR 8 HB THR 8 9.242 -6.616 1.921
59 HG1 THR 8 HG1 THR 8 9.630 -7.568 -0.357
60 HG21 THR 8 HG21 THR 8 7.939 -8.571 2.633
61 HG22 THR 8 HG22 THR 8 6.797 -8.290 1.319
62 HG23 THR 8 HG23 THR 8 6.948 -7.113 2.623
63 H ILE 9 HN ILE 9 8.642 -3.778 -0.483
64 HA ILE 9 HA ILE 9 8.269 -2.398 2.067
65 HB ILE 9 HB ILE 9 9.555 -1.344 -0.450
66 HG12 ILE 9 HG12 ILE 9 10.790 -3.300 0.188
67 HG13 ILE 9 HG11 ILE 9 11.716 -1.889 0.681
68 HG21 ILE 9 HG21 ILE 9 9.630 -0.462 2.416
69 HG22 ILE 9 HG22 ILE 9 9.003 0.426 1.027
70 HG23 ILE 9 HG23 ILE 9 10.735 0.129 1.178
71 HD11 ILE 9 HD11 ILE 9 10.930 -2.174 2.974
72 HD12 ILE 9 HD12 ILE 9 11.772 -3.608 2.389
73 HD13 ILE 9 HD13 ILE 9 10.011 -3.595 2.481
74 H LEU 10 HN LEU 10 6.284 -3.174 -0.224
75 HA LEU 10 HA LEU 10 5.218 -0.765 -1.231
76 HB2 LEU 10 HB1 LEU 10 4.322 -3.583 -1.016
77 HB3 LEU 10 HB2 LEU 10 3.098 -2.371 -1.334
78 HG LEU 10 HG LEU 10 3.853 -3.356 -3.417
79 HD11 LEU 10 HD21 LEU 10 4.379 -1.339 -4.618
80 HD12 LEU 10 HD22 LEU 10 4.940 -0.561 -3.138
81 HD13 LEU 10 HD23 LEU 10 3.233 -0.958 -3.332
82 HD21 LEU 10 HD11 LEU 10 6.154 -3.097 -4.191
83 HD22 LEU 10 HD12 LEU 10 6.080 -4.056 -2.713
84 HD23 LEU 10 HD13 LEU 10 6.596 -2.371 -2.645
85 H GLY 11 HN GLY 11 4.894 0.721 0.408
86 HA2 GLY 11 HA2 GLY 11 3.243 -0.077 2.652
87 HA3 GLY 11 HA1 GLY 11 4.005 1.498 2.440
88 H ARG 12 HN ARG 12 2.369 0.271 -0.274
89 HA ARG 12 HA ARG 12 0.165 2.151 0.179
90 HB2 ARG 12 HB1 ARG 12 1.215 1.012 -2.414
91 HB3 ARG 12 HB2 ARG 12 -0.110 2.158 -2.270
92 HG2 ARG 12 HG1 ARG 12 1.441 3.795 -1.287
93 HG3 ARG 12 HG2 ARG 12 2.763 2.648 -1.518
94 HD2 ARG 12 HD2 ARG 12 1.043 3.848 -3.684
95 HD3 ARG 12 HD1 ARG 12 2.712 4.285 -3.319
96 HE ARG 12 HE ARG 12 2.761 1.586 -3.806
97 HH11 ARG 12 HH11 ARG 12 2.146 3.756 -7.116
98 HH12 ARG 12 HH12 ARG 12 1.776 4.430 -5.564
99 HH21 ARG 12 HH21 ARG 12 3.252 0.692 -5.846
100 HH22 ARG 12 HH22 ARG 12 2.985 1.631 -7.276
101 H VAL 13 HN VAL 13 0.624 -0.857 0.826
102 HA VAL 13 HA VAL 13 -2.030 -1.720 -0.119
103 HB VAL 13 HB VAL 13 0.338 -3.557 0.252
104 HG11 VAL 13 HG11 VAL 13 -1.812 -4.625 0.636
105 HG12 VAL 13 HG12 VAL 13 -1.092 -5.206 -0.865
106 HG13 VAL 13 HG13 VAL 13 -2.404 -4.027 -0.914
107 HG21 VAL 13 HG21 VAL 13 0.384 -3.736 -2.191
108 HG22 VAL 13 HG22 VAL 13 0.717 -2.090 -1.655
109 HG23 VAL 13 HG23 VAL 13 -0.870 -2.502 -2.303
110 H ASN 14 HN ASN 14 -3.334 -2.715 1.364
111 HA ASN 14 HA ASN 14 -2.315 -3.629 3.897
112 HB2 ASN 14 HB2 ASN 14 -2.490 -1.152 4.199
113 HB3 ASN 14 HB1 ASN 14 -4.217 -1.279 3.880
114 HD21 ASN 14 HD21 ASN 14 -5.568 -2.103 5.431
115 HD22 ASN 14 HD22 ASN 14 -5.060 -2.411 7.053
116 H LYS 15 HN LYS 15 -4.265 -4.028 1.404
117 HA LYS 15 HA LYS 15 -6.769 -4.670 2.591
118 HB2 LYS 15 HB2 LYS 15 -5.537 -5.452 -0.051
119 HB3 LYS 15 HB1 LYS 15 -7.172 -5.890 0.420
120 HG2 LYS 15 HG1 LYS 15 -7.479 -4.001 -0.878
121 HG3 LYS 15 HG2 LYS 15 -7.524 -3.366 0.768
122 HD2 LYS 15 HD2 LYS 15 -6.125 -1.856 -0.266
123 HD3 LYS 15 HD1 LYS 15 -4.964 -3.008 0.396
124 HE2 LYS 15 HE1 LYS 15 -6.007 -2.985 -2.434
125 HE3 LYS 15 HE2 LYS 15 -4.426 -2.404 -1.915
126 HZ1 LYS 15 HZ1 LYS 15 -4.268 -4.622 -2.824
127 HZ2 LYS 15 HZ2 LYS 15 -5.403 -5.200 -1.712
128 HZ3 LYS 15 HZ3 LYS 15 -3.897 -4.651 -1.173
129 H HIS 16 HN HIS 16 -3.837 -6.119 2.956
130 HA HIS 16 HA HIS 16 -4.396 -8.863 2.721
131 HB2 HIS 16 HB2 HIS 16 -2.459 -7.426 4.548
132 HB3 HIS 16 HB1 HIS 16 -2.478 -9.167 4.284
133 HD1 HIS 16 HD1 HIS 16 -0.850 -6.211 3.128
134 HD2 HIS 16 HD2 HIS 16 -2.104 -9.754 1.353
135 HE1 HIS 16 HE1 HIS 16 0.460 -6.392 0.990
136 HE2 HIS 16 HE2 HIS 16 -0.314 -8.543 -0.069
137 H SER 17 HN SER 17 -4.282 -6.877 5.684
138 HA SER 17 HA SER 17 -5.326 -7.069 7.695
139 HB2 SER 17 HB2 SER 17 -7.437 -8.467 6.029
140 HB3 SER 17 HB1 SER 17 -7.665 -7.883 7.678
141 HG SER 17 HG SER 17 -8.419 -6.319 6.288
142 H THR 18 HN THR 18 -3.632 -9.331 6.537
143 HA THR 18 HA THR 18 -4.627 -11.727 7.750
144 HB THR 18 HB THR 18 -3.101 -11.830 5.829
145 HG1 THR 18 HG1 THR 18 -1.894 -12.924 8.169
146 HG21 THR 18 HG21 THR 18 -0.714 -11.327 6.117
147 HG22 THR 18 HG22 THR 18 -1.042 -10.715 7.738
148 HG23 THR 18 HG23 THR 18 -1.710 -9.888 6.330
149 H SER 19 HN SER 19 -3.760 -9.014 9.174
150 HA SER 19 HA SER 19 -1.776 -9.530 11.029
151 HB2 SER 19 HB2 SER 19 -2.960 -7.335 10.624
152 HB3 SER 19 HB1 SER 19 -4.295 -7.955 11.596
153 HG SER 19 HG SER 19 -2.796 -8.200 13.326
154 H ILE 20 HN ILE 20 -1.592 -11.061 12.516
155 HA ILE 20 HA ILE 20 -4.035 -12.283 13.608
156 HB ILE 20 HB ILE 20 -2.563 -13.866 12.488
157 HG12 ILE 20 HG11 ILE 20 -2.413 -14.213 15.492
158 HG13 ILE 20 HG12 ILE 20 -3.832 -14.569 14.513
159 HG21 ILE 20 HG21 ILE 20 -0.461 -12.662 12.743
160 HG22 ILE 20 HG22 ILE 20 -0.309 -14.321 13.320
161 HG23 ILE 20 HG23 ILE 20 -0.466 -12.997 14.475
162 HD11 ILE 20 HD11 ILE 20 -1.156 -15.926 14.301
163 HD12 ILE 20 HD12 ILE 20 -2.574 -16.281 13.314
164 HD13 ILE 20 HD13 ILE 20 -2.608 -16.589 15.050
165 H GLY 21 HN GLY 21 -4.403 -12.364 15.781
166 HA2 GLY 21 HA2 GLY 21 -3.889 -12.175 18.065
167 HA3 GLY 21 HA1 GLY 21 -2.325 -11.499 17.634
168 H LYS 22 HN LYS 22 -3.567 -9.558 15.777
169 HA LYS 22 HA LYS 22 -4.900 -7.789 17.712
170 HB2 LYS 22 HB1 LYS 22 -2.696 -6.996 15.798
171 HB3 LYS 22 HB2 LYS 22 -3.601 -5.889 16.821
172 HG2 LYS 22 HG1 LYS 22 -2.718 -6.985 18.810
173 HG3 LYS 22 HG2 LYS 22 -1.824 -8.118 17.793
174 HD2 LYS 22 HD1 LYS 22 -0.559 -6.254 16.832
175 HD3 LYS 22 HD2 LYS 22 -1.451 -5.124 17.852
176 HE2 LYS 22 HE1 LYS 22 0.333 -7.353 18.826
177 HE3 LYS 22 HE2 LYS 22 0.751 -5.640 18.788
178 HZ1 LYS 22 HZ1 LYS 22 -1.051 -5.203 20.337
179 HZ2 LYS 22 HZ2 LYS 22 0.036 -6.325 20.987
180 HZ3 LYS 22 HZ3 LYS 22 -1.452 -6.847 20.374
Start of MODEL 20
1 H1 ACE 0 HA1 ACE 0 9.884 -0.839 -13.762
2 H2 ACE 0 HA2 ACE 0 9.043 0.306 -12.719
3 H3 ACE 0 HA3 ACE 0 8.505 -1.372 -12.752
4 H MET 1 HN MET 1 9.717 0.557 -10.670
5 HA MET 1 HA MET 1 11.407 -1.485 -9.453
6 HB2 MET 1 HB1 MET 1 13.117 0.182 -8.820
7 HB3 MET 1 HB2 MET 1 13.014 -0.048 -10.560
8 HG2 MET 1 HG2 MET 1 11.699 1.999 -10.755
9 HG3 MET 1 HG1 MET 1 11.806 2.232 -9.011
10 HE1 MET 1 HE1 MET 1 12.625 4.460 -11.120
11 HE2 MET 1 HE2 MET 1 14.134 5.054 -10.427
12 HE3 MET 1 HE3 MET 1 12.764 4.694 -9.377
13 H ASP 2 HN ASP 2 12.070 -0.625 -7.147
14 HA ASP 2 HA ASP 2 9.734 0.719 -5.953
15 HB2 ASP 2 HB1 ASP 2 11.227 -1.647 -4.803
16 HB3 ASP 2 HB2 ASP 2 9.870 -0.817 -4.049
17 H TRP 3 HN TRP 3 11.288 0.016 -3.350
18 HA TRP 3 HA TRP 3 12.219 2.312 -2.445
19 HB2 TRP 3 HB2 TRP 3 12.669 0.694 -0.900
20 HB3 TRP 3 HB1 TRP 3 13.198 -0.460 -2.118
21 HD1 TRP 3 HD1 TRP 3 15.757 -0.913 -2.154
22 HE1 TRP 3 HE1 TRP 3 17.839 0.276 -1.212
23 HE3 TRP 3 HE3 TRP 3 13.521 3.254 -0.398
24 HZ2 TRP 3 HZ2 TRP 3 18.439 2.711 0.116
25 HZ3 TRP 3 HZ3 TRP 3 14.882 5.001 0.705
26 HH2 TRP 3 HH2 TRP 3 17.300 4.726 0.951
27 H GLY 4 HN GLY 4 14.131 0.189 -4.469
28 HA2 GLY 4 HA1 GLY 4 15.393 1.823 -6.161
29 HA3 GLY 4 HA2 GLY 4 16.296 2.091 -4.663
30 H THR 5 HN THR 5 15.496 -0.693 -3.914
31 HA THR 5 HA THR 5 16.521 -2.629 -5.634
32 HB THR 5 HB THR 5 18.691 -1.522 -5.310
33 HG1 THR 5 HG1 THR 5 18.449 -3.914 -5.344
34 HG21 THR 5 HG21 THR 5 18.268 -2.100 -2.374
35 HG22 THR 5 HG22 THR 5 18.268 -0.504 -3.125
36 HG23 THR 5 HG23 THR 5 19.746 -1.465 -3.098
37 H LEU 6 HN LEU 6 14.480 -1.994 -3.594
38 HA LEU 6 HA LEU 6 14.867 -4.276 -1.763
39 HB2 LEU 6 HB1 LEU 6 14.736 -1.821 -0.860
40 HB3 LEU 6 HB2 LEU 6 13.021 -1.987 -1.170
41 HG LEU 6 HG LEU 6 13.812 -4.264 0.318
42 HD11 LEU 6 HD21 LEU 6 14.842 -1.673 1.470
43 HD12 LEU 6 HD22 LEU 6 15.818 -3.057 0.975
44 HD13 LEU 6 HD23 LEU 6 14.711 -3.202 2.342
45 HD21 LEU 6 HD11 LEU 6 12.273 -3.334 1.966
46 HD22 LEU 6 HD12 LEU 6 11.617 -3.179 0.336
47 HD23 LEU 6 HD13 LEU 6 12.319 -1.775 1.142
48 H GLN 7 HN GLN 7 12.390 -4.604 -0.786
49 HA GLN 7 HA GLN 7 10.418 -4.504 -2.857
50 HB2 GLN 7 HB1 GLN 7 11.239 -6.493 -3.681
51 HB3 GLN 7 HB2 GLN 7 11.862 -7.006 -2.120
52 HG2 GLN 7 HG1 GLN 7 10.145 -8.484 -2.493
53 HG3 GLN 7 HG2 GLN 7 9.401 -7.261 -1.471
54 HE21 GLN 7 HE21 GLN 7 9.245 -5.327 -3.685
55 HE22 GLN 7 HE22 GLN 7 7.939 -5.861 -4.679
56 H THR 8 HN THR 8 8.291 -5.206 -2.074
57 HA THR 8 HA THR 8 6.618 -5.333 -0.534
58 HB THR 8 HB THR 8 8.452 -5.683 1.788
59 HG1 THR 8 HG1 THR 8 9.187 -6.954 -0.138
60 HG21 THR 8 HG21 THR 8 6.750 -7.330 2.437
61 HG22 THR 8 HG22 THR 8 5.904 -7.050 0.915
62 HG23 THR 8 HG23 THR 8 6.030 -5.755 2.104
63 H ILE 9 HN ILE 9 8.887 -3.103 -0.742
64 HA ILE 9 HA ILE 9 8.593 -1.480 1.521
65 HB ILE 9 HB ILE 9 10.074 -1.372 -0.810
66 HG12 ILE 9 HG12 ILE 9 10.818 -0.708 1.423
67 HG13 ILE 9 HG11 ILE 9 11.186 0.543 0.242
68 HG21 ILE 9 HG21 ILE 9 9.711 0.820 -1.776
69 HG22 ILE 9 HG22 ILE 9 8.340 1.088 -0.700
70 HG23 ILE 9 HG23 ILE 9 8.259 -0.169 -1.935
71 HD11 ILE 9 HD11 ILE 9 10.381 1.509 2.310
72 HD12 ILE 9 HD12 ILE 9 8.893 0.569 2.191
73 HD13 ILE 9 HD13 ILE 9 9.244 1.820 0.998
74 H LEU 10 HN LEU 10 6.402 -2.262 -0.829
75 HA LEU 10 HA LEU 10 4.933 0.103 -1.161
76 HB2 LEU 10 HB1 LEU 10 4.500 -2.785 -1.560
77 HB3 LEU 10 HB2 LEU 10 3.057 -1.796 -1.451
78 HG LEU 10 HG LEU 10 3.669 -2.094 -3.776
79 HD11 LEU 10 HD21 LEU 10 2.696 0.054 -3.053
80 HD12 LEU 10 HD22 LEU 10 3.744 0.220 -4.464
81 HD13 LEU 10 HD23 LEU 10 4.326 0.703 -2.871
82 HD21 LEU 10 HD11 LEU 10 6.307 -0.837 -3.032
83 HD22 LEU 10 HD12 LEU 10 5.779 -1.249 -4.664
84 HD23 LEU 10 HD13 LEU 10 6.052 -2.525 -3.476
85 H GLY 11 HN GLY 11 4.681 1.091 0.867
86 HA2 GLY 11 HA2 GLY 11 3.216 -0.415 2.875
87 HA3 GLY 11 HA1 GLY 11 3.923 1.183 3.101
88 H ARG 12 HN ARG 12 2.149 0.683 0.232
89 HA ARG 12 HA ARG 12 -0.103 2.219 1.331
90 HB2 ARG 12 HB1 ARG 12 0.954 2.142 -1.498
91 HB3 ARG 12 HB2 ARG 12 -0.451 3.058 -0.968
92 HG2 ARG 12 HG2 ARG 12 0.945 4.419 0.473
93 HG3 ARG 12 HG1 ARG 12 2.363 3.469 0.024
94 HD2 ARG 12 HD2 ARG 12 0.681 5.110 -1.865
95 HD3 ARG 12 HD1 ARG 12 2.243 5.591 -1.206
96 HE ARG 12 HE ARG 12 2.295 3.077 -2.599
97 HH11 ARG 12 HH11 ARG 12 3.452 6.465 -4.390
98 HH12 ARG 12 HH12 ARG 12 2.536 6.538 -2.923
99 HH21 ARG 12 HH21 ARG 12 3.503 2.972 -4.531
100 HH22 ARG 12 HH22 ARG 12 4.002 4.440 -5.304
101 H VAL 13 HN VAL 13 0.470 -0.783 0.973
102 HA VAL 13 HA VAL 13 -1.741 -1.545 -0.771
103 HB VAL 13 HB VAL 13 -1.032 -3.859 -0.359
104 HG11 VAL 13 HG11 VAL 13 -0.018 -2.635 -2.195
105 HG12 VAL 13 HG12 VAL 13 1.155 -3.735 -1.470
106 HG13 VAL 13 HG13 VAL 13 1.227 -2.008 -1.114
107 HG21 VAL 13 HG21 VAL 13 1.018 -4.313 0.914
108 HG22 VAL 13 HG22 VAL 13 -0.252 -3.633 1.931
109 HG23 VAL 13 HG23 VAL 13 1.086 -2.617 1.393
110 H ASN 14 HN ASN 14 -3.194 -3.338 0.077
111 HA ASN 14 HA ASN 14 -3.782 -3.094 2.930
112 HB2 ASN 14 HB1 ASN 14 -6.175 -2.700 2.485
113 HB3 ASN 14 HB2 ASN 14 -5.174 -1.386 1.875
114 HD21 ASN 14 HD21 ASN 14 -5.975 -1.880 -1.482
115 HD22 ASN 14 HD22 ASN 14 -4.913 -1.129 -0.345
116 H LYS 15 HN LYS 15 -4.622 -4.916 3.835
117 HA LYS 15 HA LYS 15 -5.695 -7.033 2.172
118 HB2 LYS 15 HB1 LYS 15 -3.258 -7.408 2.064
119 HB3 LYS 15 HB2 LYS 15 -3.199 -7.479 3.819
120 HG2 LYS 15 HG2 LYS 15 -4.620 -9.462 3.794
121 HG3 LYS 15 HG1 LYS 15 -4.692 -9.388 2.033
122 HD2 LYS 15 HD1 LYS 15 -2.261 -9.680 1.925
123 HD3 LYS 15 HD2 LYS 15 -2.197 -9.769 3.687
124 HE2 LYS 15 HE2 LYS 15 -3.673 -11.674 1.873
125 HE3 LYS 15 HE1 LYS 15 -2.132 -11.992 2.669
126 HZ1 LYS 15 HZ1 LYS 15 -4.710 -11.465 4.046
127 HZ2 LYS 15 HZ2 LYS 15 -3.232 -11.774 4.808
128 HZ3 LYS 15 HZ3 LYS 15 -3.971 -12.978 3.880
129 H HIS 16 HN HIS 16 -4.956 -5.663 5.276
130 HA HIS 16 HA HIS 16 -5.908 -5.859 7.328
131 HB2 HIS 16 HB2 HIS 16 -8.172 -7.111 5.758
132 HB3 HIS 16 HB1 HIS 16 -8.273 -6.576 7.432
133 HD1 HIS 16 HD1 HIS 16 -8.668 -4.113 7.852
134 HD2 HIS 16 HD2 HIS 16 -7.958 -4.989 3.853
135 HE1 HIS 16 HE1 HIS 16 -9.203 -2.001 6.596
136 HE2 HIS 16 HE2 HIS 16 -8.766 -2.554 4.177
137 H SER 17 HN SER 17 -4.710 -7.217 8.518
138 HA SER 17 HA SER 17 -4.614 -10.040 8.027
139 HB2 SER 17 HB2 SER 17 -3.564 -8.413 10.356
140 HB3 SER 17 HB1 SER 17 -3.194 -10.111 10.051
141 HG SER 17 HG SER 17 -2.741 -8.463 7.903
142 H THR 18 HN THR 18 -5.241 -8.562 11.181
143 HA THR 18 HA THR 18 -6.508 -9.358 12.925
144 HB THR 18 HB THR 18 -8.010 -7.787 11.753
145 HG1 THR 18 HG1 THR 18 -8.949 -8.534 13.567
146 HG21 THR 18 HG21 THR 18 -9.825 -8.667 10.342
147 HG22 THR 18 HG22 THR 18 -9.090 -10.268 10.410
148 HG23 THR 18 HG23 THR 18 -8.240 -8.941 9.619
149 H SER 19 HN SER 19 -5.297 -11.482 11.384
150 HA SER 19 HA SER 19 -7.276 -13.579 11.168
151 HB2 SER 19 HB2 SER 19 -5.334 -13.389 9.599
152 HB3 SER 19 HB1 SER 19 -4.264 -13.781 10.946
153 HG SER 19 HG SER 19 -5.535 -15.460 9.371
154 H ILE 20 HN ILE 20 -6.520 -15.786 12.162
155 HA ILE 20 HA ILE 20 -6.708 -15.503 14.981
156 HB ILE 20 HB ILE 20 -6.470 -17.962 15.051
157 HG12 ILE 20 HG12 ILE 20 -6.158 -17.743 12.046
158 HG13 ILE 20 HG11 ILE 20 -4.855 -18.139 13.162
159 HG21 ILE 20 HG21 ILE 20 -8.652 -16.949 14.678
160 HG22 ILE 20 HG22 ILE 20 -8.512 -18.471 13.798
161 HG23 ILE 20 HG23 ILE 20 -8.364 -16.938 12.937
162 HD11 ILE 20 HD11 ILE 20 -5.718 -20.133 12.104
163 HD12 ILE 20 HD12 ILE 20 -7.339 -19.768 12.691
164 HD13 ILE 20 HD13 ILE 20 -6.055 -20.160 13.834
165 H GLY 21 HN GLY 21 -5.179 -16.952 16.386
166 HA2 GLY 21 HA2 GLY 21 -2.918 -17.682 16.774
167 HA3 GLY 21 HA1 GLY 21 -2.381 -16.514 15.576
168 H LYS 22 HN LYS 22 -4.656 -14.925 17.277
169 HA LYS 22 HA LYS 22 -2.943 -14.175 19.517
170 HB2 LYS 22 HB1 LYS 22 -2.296 -12.666 17.687
171 HB3 LYS 22 HB2 LYS 22 -3.974 -12.177 17.495
172 HG2 LYS 22 HG1 LYS 22 -3.962 -11.227 19.743
173 HG3 LYS 22 HG2 LYS 22 -2.281 -11.725 19.945
174 HD2 LYS 22 HD2 LYS 22 -2.332 -9.395 19.356
175 HD3 LYS 22 HD1 LYS 22 -1.682 -10.310 17.994
176 HE2 LYS 22 HE2 LYS 22 -3.260 -8.613 17.237
177 HE3 LYS 22 HE1 LYS 22 -3.860 -10.236 16.896
178 HZ1 LYS 22 HZ1 LYS 22 -5.603 -8.822 17.777
179 HZ2 LYS 22 HZ2 LYS 22 -4.697 -8.524 19.175
180 HZ3 LYS 22 HZ3 LYS 22 -5.269 -10.083 18.856