Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
527933 | 2l9i RC | 17458 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 HH32 ACE 1 38.911 14.494 14.967
2 H2 ACE 1 HH33 ACE 1 38.089 13.608 16.275
3 H3 ACE 1 HH31 ACE 1 37.720 13.231 14.576
4 H SER 2 H SER 2 35.543 13.641 15.821
5 HA SER 2 HA SER 2 34.276 15.763 14.538
6 HB2 SER 2 HB2 SER 2 33.327 14.314 17.038
7 HB3 SER 2 HB3 SER 2 32.311 15.189 15.877
8 HG SER 2 HG SER 2 32.340 12.908 15.479
9 H ASP 3 H ASP 3 35.774 15.862 17.732
10 HA ASP 3 HA ASP 3 34.410 18.183 18.720
11 HB2 ASP 3 HB2 ASP 3 35.690 16.420 20.019
12 HB3 ASP 3 HB3 ASP 3 37.181 17.187 19.463
13 H ALA 4 H ALA 4 36.913 17.938 16.301
14 HA ALA 4 HA ALA 4 38.018 20.578 16.529
15 HB1 ALA 4 HB1 ALA 4 39.021 18.744 15.202
16 HB2 ALA 4 HB2 ALA 4 37.644 18.804 14.076
17 HB3 ALA 4 HB3 ALA 4 38.743 20.191 14.215
18 H ALA 5 H ALA 5 34.949 19.406 15.160
19 HA ALA 5 HA ALA 5 34.251 21.933 13.878
20 HB1 ALA 5 HB1 ALA 5 32.527 19.533 14.620
21 HB2 ALA 5 HB2 ALA 5 32.099 20.842 13.502
22 HB3 ALA 5 HB3 ALA 5 33.420 19.733 13.092
23 H VAL 6 H VAL 6 34.369 20.961 17.125
24 HA VAL 6 HA VAL 6 32.455 23.062 18.028
25 HB VAL 6 HB VAL 6 33.515 20.939 19.859
26 HG11 VAL 6 HG11 VAL 6 30.804 22.350 19.675
27 HG12 VAL 6 HG12 VAL 6 31.328 21.254 20.972
28 HG13 VAL 6 HG13 VAL 6 32.112 22.820 20.773
29 HG21 VAL 6 HG21 VAL 6 31.135 20.516 17.996
30 HG22 VAL 6 HG22 VAL 6 32.629 19.553 18.037
31 HG23 VAL 6 HG23 VAL 6 31.526 19.504 19.405
32 H ASP 7 H ASP 7 35.389 23.094 17.145
33 HA ASP 7 HA ASP 7 37.345 24.075 17.605
34 HB2 ASP 7 HB2 ASP 7 35.807 26.021 17.707
35 HB3 ASP 7 HB3 ASP 7 35.776 25.876 19.465
36 H THR 8 H THR 8 36.970 21.733 18.941
37 HA THR 8 HA THR 8 37.771 20.368 20.488
38 HB THR 8 HB THR 8 39.938 22.354 21.185
39 HG1 THR 8 HG1 THR 8 39.940 22.094 18.955
40 HG21 THR 8 HG21 THR 8 39.829 19.295 21.123
41 HG22 THR 8 HG22 THR 8 41.241 20.287 21.551
42 HG23 THR 8 HG23 THR 8 39.813 20.287 22.592
43 H SER 9 H SER 9 35.691 20.808 21.522
44 HA SER 9 HA SER 9 35.461 22.509 23.838
45 HB2 SER 9 HB2 SER 9 33.370 21.428 24.233
46 HB3 SER 9 HB3 SER 9 33.530 21.719 22.496
47 HG SER 9 HG SER 9 34.188 19.515 22.269
48 H SER 10 H SER 10 36.843 19.333 23.373
49 HA SER 10 HA SER 10 36.737 18.234 25.948
50 HB2 SER 10 HB2 SER 10 39.065 18.103 23.988
51 HB3 SER 10 HB3 SER 10 38.743 16.975 25.316
52 HG SER 10 HG SER 10 37.256 17.443 22.950
53 H GLU 11 H GLU 11 38.622 21.058 25.009
54 HA GLU 11 HA GLU 11 40.318 20.896 27.427
55 HB2 GLU 11 HB2 GLU 11 40.094 23.006 25.256
56 HB3 GLU 11 HB3 GLU 11 41.196 23.083 26.636
57 HG2 GLU 11 HG2 GLU 11 42.216 20.909 25.909
58 HG3 GLU 11 HG3 GLU 11 41.208 20.947 24.463
59 H ILE 12 H ILE 12 37.560 22.716 26.323
60 HA ILE 12 HA ILE 12 37.501 24.328 28.798
61 HB ILE 12 HB ILE 12 35.722 25.648 27.762
62 HG12 ILE 12 HG12 ILE 12 36.097 24.270 25.101
63 HG13 ILE 12 HG13 ILE 12 35.000 23.524 26.262
64 HG21 ILE 12 HG21 ILE 12 38.078 26.271 27.415
65 HG22 ILE 12 HG22 ILE 12 38.131 25.308 25.924
66 HG23 ILE 12 HG23 ILE 12 37.072 26.728 26.030
67 HD11 ILE 12 HD11 ILE 12 34.748 26.388 25.290
68 HD12 ILE 12 HD12 ILE 12 33.782 24.995 24.750
69 HD13 ILE 12 HD13 ILE 12 33.666 25.541 26.432
70 H THR 13 H THR 13 35.959 21.521 27.785
71 HA THR 13 HA THR 13 33.432 21.561 28.717
72 HB THR 13 HB THR 13 34.415 19.688 27.630
73 HG1 THR 13 HG1 THR 13 32.657 19.053 28.789
74 HG21 THR 13 HG21 THR 13 35.989 18.144 28.665
75 HG22 THR 13 HG22 THR 13 36.678 19.773 28.794
76 HG23 THR 13 HG23 THR 13 35.919 19.023 30.207
77 H THR 14 H THR 14 36.183 21.547 31.063
78 HA THR 14 HA THR 14 34.407 20.991 33.286
79 HB THR 14 HB THR 14 37.064 22.452 33.442
80 HG1 THR 14 HG1 THR 14 37.568 20.458 32.709
81 HG21 THR 14 HG21 THR 14 35.254 21.054 35.463
82 HG22 THR 14 HG22 THR 14 36.965 21.452 35.789
83 HG23 THR 14 HG23 THR 14 35.792 22.744 35.483
84 H LYS 15 H LYS 15 35.294 23.987 31.673
85 HA LYS 15 HA LYS 15 33.893 25.796 33.503
86 HB2 LYS 15 HB2 LYS 15 34.548 26.154 30.539
87 HB3 LYS 15 HB3 LYS 15 34.003 27.406 31.648
88 HG2 LYS 15 HG2 LYS 15 36.050 27.158 32.998
89 HG3 LYS 15 HG3 LYS 15 36.628 25.872 31.920
90 HD2 LYS 15 HD2 LYS 15 36.647 27.437 30.010
91 HD3 LYS 15 HD3 LYS 15 36.027 28.736 31.057
92 HE2 LYS 15 HE2 LYS 15 38.048 28.512 32.508
93 HE3 LYS 15 HE3 LYS 15 38.679 27.261 31.431
94 HZ1 LYS 15 HZ1 LYS 15 38.145 30.086 30.638
95 HZ2 LYS 15 HZ2 LYS 15 39.620 29.447 30.908
96 HZ3 LYS 15 HZ3 LYS 15 38.735 28.934 29.637
97 H ASP 16 H ASP 16 33.011 24.021 30.540
98 HA ASP 16 HA ASP 16 30.263 24.857 30.457
99 HB2 ASP 16 HB2 ASP 16 31.497 23.661 28.608
100 HB3 ASP 16 HB3 ASP 16 31.366 22.173 29.543
101 H LEU 17 H LEU 17 31.869 22.248 32.408
102 HA LEU 17 HA LEU 17 29.244 21.268 33.168
103 HB2 LEU 17 HB2 LEU 17 32.103 20.570 33.931
104 HB3 LEU 17 HB3 LEU 17 30.741 19.790 34.745
105 HG LEU 17 HG LEU 17 30.982 19.819 31.715
106 HD11 LEU 17 HD11 LEU 17 33.020 18.764 32.633
107 HD12 LEU 17 HD12 LEU 17 32.027 17.701 33.656
108 HD13 LEU 17 HD13 LEU 17 31.974 17.555 31.883
109 HD21 LEU 17 HD21 LEU 17 29.564 17.795 31.879
110 HD22 LEU 17 HD22 LEU 17 29.502 17.978 33.645
111 HD23 LEU 17 HD23 LEU 17 28.765 19.199 32.585
112 H LYS 18 H LYS 18 31.483 23.547 34.637
113 HA LYS 18 HA LYS 18 29.831 23.815 37.063
114 HB2 LYS 18 HB2 LYS 18 31.940 25.565 35.694
115 HB3 LYS 18 HB3 LYS 18 30.909 26.226 36.959
116 HG2 LYS 18 HG2 LYS 18 32.825 25.572 38.077
117 HG3 LYS 18 HG3 LYS 18 31.608 24.355 38.475
118 HD2 LYS 18 HD2 LYS 18 32.650 22.833 36.748
119 HD3 LYS 18 HD3 LYS 18 33.903 24.048 36.481
120 HE2 LYS 18 HE2 LYS 18 33.301 22.642 39.133
121 HE3 LYS 18 HE3 LYS 18 34.568 22.162 38.005
122 HZ1 LYS 18 HZ1 LYS 18 35.619 24.363 38.360
123 HZ2 LYS 18 HZ2 LYS 18 34.471 24.763 39.461
124 HZ3 LYS 18 HZ3 LYS 18 35.493 23.534 39.758
125 H GLU 19 H GLU 19 29.467 24.918 33.771
126 HA GLU 19 HA GLU 19 27.218 26.647 34.355
127 HB2 GLU 19 HB2 GLU 19 28.692 26.176 32.105
128 HB3 GLU 19 HB3 GLU 19 27.325 25.100 31.789
129 HG2 GLU 19 HG2 GLU 19 25.777 27.020 32.265
130 HG3 GLU 19 HG3 GLU 19 27.198 28.056 32.458
131 H LYS 20 H LYS 20 27.538 23.250 33.354
132 HA LYS 20 HA LYS 20 24.725 22.667 33.465
133 HB2 LYS 20 HB2 LYS 20 27.084 20.743 33.661
134 HB3 LYS 20 HB3 LYS 20 25.416 20.255 33.427
135 HG2 LYS 20 HG2 LYS 20 27.108 21.818 31.457
136 HG3 LYS 20 HG3 LYS 20 26.545 20.157 31.327
137 HD2 LYS 20 HD2 LYS 20 24.163 21.078 31.367
138 HD3 LYS 20 HD3 LYS 20 24.857 22.698 31.192
139 HE2 LYS 20 HE2 LYS 20 25.258 20.363 29.270
140 HE3 LYS 20 HE3 LYS 20 24.097 21.673 29.055
141 HZ1 LYS 20 HZ1 LYS 20 26.011 23.243 28.999
142 HZ2 LYS 20 HZ2 LYS 20 27.077 21.993 29.084
143 HZ3 LYS 20 HZ3 LYS 20 26.093 22.147 27.797
144 H LYS 21 H LYS 21 26.872 22.928 36.082
145 HA LYS 21 HA LYS 21 25.128 21.502 38.026
146 HB2 LYS 21 HB2 LYS 21 27.891 22.736 38.247
147 HB3 LYS 21 HB3 LYS 21 26.962 22.174 39.645
148 HG2 LYS 21 HG2 LYS 21 26.795 19.917 38.691
149 HG3 LYS 21 HG3 LYS 21 27.698 20.423 37.255
150 HD2 LYS 21 HD2 LYS 21 29.656 20.974 38.657
151 HD3 LYS 21 HD3 LYS 21 28.791 20.463 40.111
152 HE2 LYS 21 HE2 LYS 21 29.408 18.661 37.715
153 HE3 LYS 21 HE3 LYS 21 30.416 18.775 39.158
154 HZ1 LYS 21 HZ1 LYS 21 27.593 17.816 39.134
155 HZ2 LYS 21 HZ2 LYS 21 28.919 16.895 39.342
156 HZ3 LYS 21 HZ3 LYS 21 28.509 17.984 40.482
157 H GLU 22 H GLU 22 25.580 24.639 36.787
158 HA GLU 22 HA GLU 22 24.640 26.046 39.259
159 HB2 GLU 22 HB2 GLU 22 26.672 26.963 38.248
160 HB3 GLU 22 HB3 GLU 22 25.836 27.175 36.698
161 HG2 GLU 22 HG2 GLU 22 24.278 28.778 37.750
162 HG3 GLU 22 HG3 GLU 22 25.031 28.503 39.323
163 H VAL 23 H VAL 23 24.070 25.857 35.732
164 HA VAL 23 HA VAL 23 21.444 26.877 35.619
165 HB VAL 23 HB VAL 23 23.096 25.994 33.771
166 HG11 VAL 23 HG11 VAL 23 22.648 23.913 32.738
167 HG12 VAL 23 HG12 VAL 23 23.064 23.605 34.430
168 HG13 VAL 23 HG13 VAL 23 21.372 23.510 33.900
169 HG21 VAL 23 HG21 VAL 23 20.903 27.122 33.351
170 HG22 VAL 23 HG22 VAL 23 21.215 25.832 32.173
171 HG23 VAL 23 HG23 VAL 23 20.091 25.543 33.518
172 H VAL 24 H VAL 24 22.700 23.708 36.628
173 HA VAL 24 HA VAL 24 19.883 22.720 36.728
174 HB VAL 24 HB VAL 24 21.880 21.342 36.078
175 HG11 VAL 24 HG11 VAL 24 22.876 19.948 37.802
176 HG12 VAL 24 HG12 VAL 24 23.007 21.618 38.396
177 HG13 VAL 24 HG13 VAL 24 21.756 20.560 39.040
178 HG21 VAL 24 HG21 VAL 24 20.701 19.285 36.635
179 HG22 VAL 24 HG22 VAL 24 19.660 20.179 37.769
180 HG23 VAL 24 HG23 VAL 24 19.619 20.540 36.024
181 H GLU 25 H GLU 25 22.149 23.817 39.261
182 HA GLU 25 HA GLU 25 20.311 23.245 41.425
183 HB2 GLU 25 HB2 GLU 25 22.684 25.081 41.071
184 HB3 GLU 25 HB3 GLU 25 21.627 25.223 42.489
185 HG2 GLU 25 HG2 GLU 25 21.982 22.796 42.971
186 HG3 GLU 25 HG3 GLU 25 23.162 22.726 41.666
187 H GLU 26 H GLU 26 20.683 26.024 39.240
188 HA GLU 26 HA GLU 26 18.526 27.554 40.402
189 HB2 GLU 26 HB2 GLU 26 19.902 27.614 37.699
190 HB3 GLU 26 HB3 GLU 26 18.566 28.689 38.081
191 HG2 GLU 26 HG2 GLU 26 21.087 28.548 39.782
192 HG3 GLU 26 HG3 GLU 26 20.879 29.651 38.428
193 H ALA 27 H ALA 27 18.405 24.710 38.420
194 HA ALA 27 HA ALA 27 15.592 25.149 37.651
195 HB1 ALA 27 HB1 ALA 27 17.333 22.668 37.378
196 HB2 ALA 27 HB2 ALA 27 15.753 22.953 36.634
197 HB3 ALA 27 HB3 ALA 27 17.144 23.939 36.146
198 H GLU 28 H GLU 28 17.350 23.793 40.359
199 HA GLU 28 HA GLU 28 14.950 22.439 41.477
200 HB2 GLU 28 HB2 GLU 28 17.824 22.666 42.448
201 HB3 GLU 28 HB3 GLU 28 16.517 21.886 43.346
202 HG2 GLU 28 HG2 GLU 28 16.133 20.339 41.421
203 HG3 GLU 28 HG3 GLU 28 17.534 21.028 40.605
204 H ASN 29 H ASN 29 16.765 25.417 41.855
205 HA ASN 29 HA ASN 29 15.822 26.280 44.387
206 HB2 ASN 29 HB2 ASN 29 17.825 27.144 43.179
207 HB3 ASN 29 HB3 ASN 29 16.771 27.884 41.978
208 HD21 ASN 29 HD22 ASN 29 18.177 29.769 42.681
209 HD22 ASN 29 HD21 ASN 29 17.554 30.712 44.049
Start of MODEL 2
1 H1 ACE 1 HH32 ACE 1 39.461 14.228 15.330
2 H2 ACE 1 HH33 ACE 1 38.545 14.009 16.834
3 H3 ACE 1 HH31 ACE 1 38.091 13.026 15.513
4 H SER 2 H SER 2 36.054 14.394 16.310
5 HA SER 2 HA SER 2 35.390 16.377 14.374
6 HB2 SER 2 HB2 SER 2 33.326 16.445 15.435
7 HB3 SER 2 HB3 SER 2 33.858 14.786 14.913
8 HG SER 2 HG SER 2 33.119 15.702 17.289
9 H ASP 3 H ASP 3 36.806 16.523 17.566
10 HA ASP 3 HA ASP 3 35.612 18.879 18.502
11 HB2 ASP 3 HB2 ASP 3 36.875 16.864 19.627
12 HB3 ASP 3 HB3 ASP 3 38.328 17.724 19.316
13 H ALA 4 H ALA 4 38.135 18.490 16.465
14 HA ALA 4 HA ALA 4 39.601 20.937 16.404
15 HB1 ALA 4 HB1 ALA 4 40.271 19.174 15.103
16 HB2 ALA 4 HB2 ALA 4 38.845 19.056 14.111
17 HB3 ALA 4 HB3 ALA 4 39.744 20.520 13.955
18 H ALA 5 H ALA 5 36.435 19.991 14.824
19 HA ALA 5 HA ALA 5 35.892 22.507 13.760
20 HB1 ALA 5 HB1 ALA 5 33.621 21.801 13.324
21 HB2 ALA 5 HB2 ALA 5 34.542 20.249 13.010
22 HB3 ALA 5 HB3 ALA 5 33.725 20.538 14.540
23 H VAL 6 H VAL 6 36.060 22.036 17.172
24 HA VAL 6 HA VAL 6 33.971 23.973 17.724
25 HB VAL 6 HB VAL 6 34.525 21.866 19.671
26 HG11 VAL 6 HG11 VAL 6 32.245 24.011 19.413
27 HG12 VAL 6 HG12 VAL 6 32.146 22.562 20.413
28 HG13 VAL 6 HG13 VAL 6 33.424 23.865 20.588
29 HG21 VAL 6 HG21 VAL 6 32.612 21.913 17.378
30 HG22 VAL 6 HG22 VAL 6 33.552 20.537 17.949
31 HG23 VAL 6 HG23 VAL 6 32.104 21.072 18.824
32 H ASP 7 H ASP 7 37.340 23.714 17.527
33 HA ASP 7 HA ASP 7 39.123 24.607 18.325
34 HB2 ASP 7 HB2 ASP 7 37.772 26.596 18.370
35 HB3 ASP 7 HB3 ASP 7 37.454 26.531 20.121
36 H THR 8 H THR 8 38.507 22.411 19.111
37 HA THR 8 HA THR 8 38.724 20.590 20.449
38 HB THR 8 HB THR 8 41.078 21.770 21.712
39 HG1 THR 8 HG1 THR 8 41.098 22.247 19.433
40 HG21 THR 8 HG21 THR 8 41.954 19.362 21.568
41 HG22 THR 8 HG22 THR 8 40.586 19.636 22.622
42 HG23 THR 8 HG23 THR 8 40.366 18.932 20.998
43 H SER 9 H SER 9 36.607 21.547 21.437
44 HA SER 9 HA SER 9 36.259 22.685 24.024
45 HB2 SER 9 HB2 SER 9 34.083 21.995 23.786
46 HB3 SER 9 HB3 SER 9 34.660 22.316 22.127
47 HG SER 9 HG SER 9 35.135 20.162 22.039
48 H SER 10 H SER 10 37.481 19.363 23.493
49 HA SER 10 HA SER 10 36.505 18.370 26.134
50 HB2 SER 10 HB2 SER 10 38.571 17.102 24.428
51 HB3 SER 10 HB3 SER 10 37.451 16.359 25.637
52 HG SER 10 HG SER 10 36.924 17.432 23.060
53 H GLU 11 H GLU 11 38.654 20.705 25.525
54 HA GLU 11 HA GLU 11 40.520 20.039 27.753
55 HB2 GLU 11 HB2 GLU 11 40.596 22.117 25.517
56 HB3 GLU 11 HB3 GLU 11 41.567 22.271 26.945
57 HG2 GLU 11 HG2 GLU 11 42.536 19.895 26.411
58 HG3 GLU 11 HG3 GLU 11 41.512 19.892 24.955
59 H ILE 12 H ILE 12 37.998 22.256 26.652
60 HA ILE 12 HA ILE 12 38.351 23.824 28.925
61 HB ILE 12 HB ILE 12 36.919 25.366 28.142
62 HG12 ILE 12 HG12 ILE 12 36.519 23.605 25.647
63 HG13 ILE 12 HG13 ILE 12 35.430 23.708 26.932
64 HG21 ILE 12 HG21 ILE 12 39.331 25.422 27.535
65 HG22 ILE 12 HG22 ILE 12 39.091 24.610 26.070
66 HG23 ILE 12 HG23 ILE 12 38.314 26.273 26.314
67 HD11 ILE 12 HD11 ILE 12 36.211 26.198 25.420
68 HD12 ILE 12 HD12 ILE 12 34.806 25.064 25.036
69 HD13 ILE 12 HD13 ILE 12 34.856 25.901 26.566
70 H THR 13 H THR 13 36.224 21.344 28.017
71 HA THR 13 HA THR 13 33.658 21.571 28.771
72 HB THR 13 HB THR 13 34.569 19.779 27.798
73 HG1 THR 13 HG1 THR 13 33.578 18.282 28.904
74 HG21 THR 13 HG21 THR 13 36.756 19.427 28.622
75 HG22 THR 13 HG22 THR 13 36.144 18.951 30.185
76 HG23 THR 13 HG23 THR 13 35.951 17.990 28.802
77 H THR 14 H THR 14 36.299 21.423 31.351
78 HA THR 14 HA THR 14 34.331 20.905 33.402
79 HB THR 14 HB THR 14 36.857 22.533 34.159
80 HG1 THR 14 HG1 THR 14 37.650 20.799 33.123
81 HG21 THR 14 HG21 THR 14 36.522 20.856 36.109
82 HG22 THR 14 HG22 THR 14 35.315 22.244 35.931
83 HG23 THR 14 HG23 THR 14 34.904 20.648 35.348
84 H LYS 15 H LYS 15 35.309 23.992 31.840
85 HA LYS 15 HA LYS 15 33.849 25.747 33.657
86 HB2 LYS 15 HB2 LYS 15 34.407 26.130 30.691
87 HB3 LYS 15 HB3 LYS 15 33.761 27.299 31.853
88 HG2 LYS 15 HG2 LYS 15 35.502 27.563 33.094
89 HG3 LYS 15 HG3 LYS 15 36.300 26.116 32.829
90 HD2 LYS 15 HD2 LYS 15 36.812 26.705 30.467
91 HD3 LYS 15 HD3 LYS 15 36.046 28.317 30.696
92 HE2 LYS 15 HE2 LYS 15 37.543 28.646 32.633
93 HE3 LYS 15 HE3 LYS 15 38.644 27.408 31.856
94 HZ1 LYS 15 HZ1 LYS 15 37.836 29.847 30.488
95 HZ2 LYS 15 HZ2 LYS 15 39.094 29.693 31.381
96 HZ3 LYS 15 HZ3 LYS 15 38.981 28.826 30.060
97 H ASP 16 H ASP 16 33.023 24.100 30.639
98 HA ASP 16 HA ASP 16 30.197 24.828 30.416
99 HB2 ASP 16 HB2 ASP 16 31.409 23.982 28.564
100 HB3 ASP 16 HB3 ASP 16 31.554 22.374 29.246
101 H LEU 17 H LEU 17 31.831 22.357 32.343
102 HA LEU 17 HA LEU 17 29.246 21.225 33.117
103 HB2 LEU 17 HB2 LEU 17 32.117 20.385 33.731
104 HB3 LEU 17 HB3 LEU 17 30.676 19.483 34.410
105 HG LEU 17 HG LEU 17 31.041 19.960 31.452
106 HD11 LEU 17 HD11 LEU 17 32.320 17.832 33.264
107 HD12 LEU 17 HD12 LEU 17 32.464 17.680 31.483
108 HD13 LEU 17 HD13 LEU 17 33.196 18.993 32.342
109 HD21 LEU 17 HD21 LEU 17 29.853 17.645 32.952
110 HD22 LEU 17 HD22 LEU 17 28.907 19.061 32.467
111 HD23 LEU 17 HD23 LEU 17 29.696 17.939 31.307
112 H LYS 18 H LYS 18 31.466 23.245 34.691
113 HA LYS 18 HA LYS 18 29.698 23.627 37.010
114 HB2 LYS 18 HB2 LYS 18 32.029 25.179 35.704
115 HB3 LYS 18 HB3 LYS 18 31.080 25.955 36.991
116 HG2 LYS 18 HG2 LYS 18 32.704 25.075 38.405
117 HG3 LYS 18 HG3 LYS 18 31.491 23.866 38.491
118 HD2 LYS 18 HD2 LYS 18 32.548 22.479 36.802
119 HD3 LYS 18 HD3 LYS 18 33.854 23.737 36.785
120 HE2 LYS 18 HE2 LYS 18 32.846 22.058 39.053
121 HE3 LYS 18 HE3 LYS 18 34.263 21.594 38.213
122 HZ1 LYS 18 HZ1 LYS 18 35.236 23.743 39.001
123 HZ2 LYS 18 HZ2 LYS 18 33.941 23.922 40.027
124 HZ3 LYS 18 HZ3 LYS 18 34.996 22.627 40.125
125 H GLU 19 H GLU 19 29.671 24.979 33.787
126 HA GLU 19 HA GLU 19 27.554 26.661 34.260
127 HB2 GLU 19 HB2 GLU 19 28.985 26.546 32.187
128 HB3 GLU 19 HB3 GLU 19 27.952 25.088 31.692
129 HG2 GLU 19 HG2 GLU 19 26.077 26.455 31.554
130 HG3 GLU 19 HG3 GLU 19 26.955 27.864 32.345
131 H LYS 20 H LYS 20 27.659 23.303 33.386
132 HA LYS 20 HA LYS 20 24.847 22.705 33.399
133 HB2 LYS 20 HB2 LYS 20 27.148 20.749 34.006
134 HB3 LYS 20 HB3 LYS 20 25.444 20.387 33.801
135 HG2 LYS 20 HG2 LYS 20 27.260 21.479 31.768
136 HG3 LYS 20 HG3 LYS 20 26.526 19.904 31.810
137 HD2 LYS 20 HD2 LYS 20 24.228 21.336 31.633
138 HD3 LYS 20 HD3 LYS 20 25.346 22.584 30.985
139 HE2 LYS 20 HE2 LYS 20 25.025 19.801 29.881
140 HE3 LYS 20 HE3 LYS 20 24.429 21.232 29.222
141 HZ1 LYS 20 HZ1 LYS 20 26.224 21.249 28.011
142 HZ2 LYS 20 HZ2 LYS 20 26.770 22.104 29.196
143 HZ3 LYS 20 HZ3 LYS 20 27.153 20.492 29.147
144 H LYS 21 H LYS 21 26.901 23.570 36.003
145 HA LYS 21 HA LYS 21 25.383 21.979 37.982
146 HB2 LYS 21 HB2 LYS 21 28.014 23.335 38.214
147 HB3 LYS 21 HB3 LYS 21 27.102 23.075 39.667
148 HG2 LYS 21 HG2 LYS 21 28.070 20.873 37.707
149 HG3 LYS 21 HG3 LYS 21 28.748 21.187 39.270
150 HD2 LYS 21 HD2 LYS 21 26.629 20.781 40.336
151 HD3 LYS 21 HD3 LYS 21 25.944 20.091 38.914
152 HE2 LYS 21 HE2 LYS 21 27.732 18.560 38.594
153 HE3 LYS 21 HE3 LYS 21 28.398 19.149 40.123
154 HZ1 LYS 21 HZ1 LYS 21 25.842 17.675 39.884
155 HZ2 LYS 21 HZ2 LYS 21 27.225 17.230 40.501
156 HZ3 LYS 21 HZ3 LYS 21 26.484 18.424 41.319
157 H GLU 22 H GLU 22 25.425 25.032 36.550
158 HA GLU 22 HA GLU 22 24.632 26.739 38.892
159 HB2 GLU 22 HB2 GLU 22 26.689 27.367 37.532
160 HB3 GLU 22 HB3 GLU 22 25.508 27.760 36.234
161 HG2 GLU 22 HG2 GLU 22 24.462 29.193 38.113
162 HG3 GLU 22 HG3 GLU 22 25.754 28.807 39.108
163 H VAL 23 H VAL 23 24.041 25.761 35.702
164 HA VAL 23 HA VAL 23 21.330 26.628 35.468
165 HB VAL 23 HB VAL 23 23.123 25.720 33.606
166 HG11 VAL 23 HG11 VAL 23 21.564 23.136 33.770
167 HG12 VAL 23 HG12 VAL 23 22.679 23.808 32.504
168 HG13 VAL 23 HG13 VAL 23 23.174 23.542 34.259
169 HG21 VAL 23 HG21 VAL 23 20.886 25.377 32.178
170 HG22 VAL 23 HG22 VAL 23 19.977 25.341 33.742
171 HG23 VAL 23 HG23 VAL 23 20.720 26.832 33.271
172 H VAL 24 H VAL 24 22.658 23.575 36.490
173 HA VAL 24 HA VAL 24 20.050 22.570 36.648
174 HB VAL 24 HB VAL 24 22.215 21.272 36.068
175 HG11 VAL 24 HG11 VAL 24 23.372 21.793 38.179
176 HG12 VAL 24 HG12 VAL 24 22.130 20.723 39.030
177 HG13 VAL 24 HG13 VAL 24 23.245 19.996 37.813
178 HG21 VAL 24 HG21 VAL 24 21.170 19.165 36.626
179 HG22 VAL 24 HG22 VAL 24 20.231 19.885 37.850
180 HG23 VAL 24 HG23 VAL 24 19.904 20.322 36.120
181 H GLU 25 H GLU 25 22.151 24.004 39.146
182 HA GLU 25 HA GLU 25 20.417 23.157 41.394
183 HB2 GLU 25 HB2 GLU 25 22.710 25.140 41.123
184 HB3 GLU 25 HB3 GLU 25 21.776 24.740 42.604
185 HG2 GLU 25 HG2 GLU 25 23.672 22.832 41.152
186 HG3 GLU 25 HG3 GLU 25 23.984 23.749 42.621
187 H GLU 26 H GLU 26 20.681 26.076 39.311
188 HA GLU 26 HA GLU 26 18.596 27.481 40.798
189 HB2 GLU 26 HB2 GLU 26 19.934 27.794 38.021
190 HB3 GLU 26 HB3 GLU 26 18.684 28.882 38.520
191 HG2 GLU 26 HG2 GLU 26 21.249 28.378 40.050
192 HG3 GLU 26 HG3 GLU 26 21.108 29.759 39.026
193 H ALA 27 H ALA 27 18.447 24.975 38.267
194 HA ALA 27 HA ALA 27 15.633 25.427 37.788
195 HB1 ALA 27 HB1 ALA 27 15.893 23.233 36.719
196 HB2 ALA 27 HB2 ALA 27 17.010 24.510 36.086
197 HB3 ALA 27 HB3 ALA 27 17.622 23.279 37.086
198 H GLU 28 H GLU 28 17.617 23.662 40.153
199 HA GLU 28 HA GLU 28 15.410 22.166 41.214
200 HB2 GLU 28 HB2 GLU 28 17.836 21.610 41.145
201 HB3 GLU 28 HB3 GLU 28 17.984 22.808 42.476
202 HG2 GLU 28 HG2 GLU 28 16.444 21.165 43.797
203 HG3 GLU 28 HG3 GLU 28 16.550 20.058 42.454
204 H ASN 29 H ASN 29 16.392 25.498 41.737
205 HA ASN 29 HA ASN 29 15.914 25.431 44.640
206 HB2 ASN 29 HB2 ASN 29 17.925 26.364 43.768
207 HB3 ASN 29 HB3 ASN 29 17.053 27.595 42.756
208 HD21 ASN 29 HD22 ASN 29 18.641 29.059 43.819
209 HD22 ASN 29 HD21 ASN 29 18.061 29.798 45.231
Start of MODEL 3
1 H1 ACE 1 HH32 ACE 1 41.084 16.364 14.603
2 H2 ACE 1 HH33 ACE 1 41.412 17.783 13.561
3 H3 ACE 1 HH31 ACE 1 41.598 17.918 15.297
4 H SER 2 H SER 2 39.018 15.942 15.062
5 HA SER 2 HA SER 2 36.876 17.356 14.008
6 HB2 SER 2 HB2 SER 2 36.388 15.433 16.301
7 HB3 SER 2 HB3 SER 2 35.446 15.958 14.842
8 HG SER 2 HG SER 2 36.593 13.920 15.050
9 H ASP 3 H ASP 3 37.932 17.440 17.468
10 HA ASP 3 HA ASP 3 36.226 19.383 18.427
11 HB2 ASP 3 HB2 ASP 3 37.925 17.957 19.797
12 HB3 ASP 3 HB3 ASP 3 39.091 19.149 19.388
13 H ALA 4 H ALA 4 38.265 20.153 15.854
14 HA ALA 4 HA ALA 4 38.495 23.109 16.346
15 HB1 ALA 4 HB1 ALA 4 40.025 21.882 14.640
16 HB2 ALA 4 HB2 ALA 4 38.557 21.200 13.948
17 HB3 ALA 4 HB3 ALA 4 38.892 22.989 13.943
18 H ALA 5 H ALA 5 36.237 20.923 14.982
19 HA ALA 5 HA ALA 5 34.444 23.004 14.027
20 HB1 ALA 5 HB1 ALA 5 33.839 20.084 14.603
21 HB2 ALA 5 HB2 ALA 5 32.853 21.114 13.562
22 HB3 ALA 5 HB3 ALA 5 34.401 20.800 12.931
23 H VAL 6 H VAL 6 34.782 21.476 16.984
24 HA VAL 6 HA VAL 6 32.428 22.701 18.101
25 HB VAL 6 HB VAL 6 34.260 20.678 19.446
26 HG11 VAL 6 HG11 VAL 6 32.276 20.124 20.789
27 HG12 VAL 6 HG12 VAL 6 32.600 21.901 20.904
28 HG13 VAL 6 HG13 VAL 6 31.272 21.267 19.913
29 HG21 VAL 6 HG21 VAL 6 31.698 20.225 17.886
30 HG22 VAL 6 HG22 VAL 6 33.333 19.683 17.469
31 HG23 VAL 6 HG23 VAL 6 32.568 18.965 18.844
32 H ASP 7 H ASP 7 35.354 23.749 17.465
33 HA ASP 7 HA ASP 7 36.850 25.374 18.074
34 HB2 ASP 7 HB2 ASP 7 34.887 26.675 18.194
35 HB3 ASP 7 HB3 ASP 7 34.607 26.388 19.886
36 H THR 8 H THR 8 37.620 23.248 19.295
37 HA THR 8 HA THR 8 38.907 22.376 20.915
38 HB THR 8 HB THR 8 39.864 25.169 21.627
39 HG1 THR 8 HG1 THR 8 40.181 25.066 19.546
40 HG21 THR 8 HG21 THR 8 40.737 23.787 23.130
41 HG22 THR 8 HG22 THR 8 41.044 22.482 21.936
42 HG23 THR 8 HG23 THR 8 42.036 24.034 21.879
43 H SER 9 H SER 9 36.376 22.227 21.671
44 HA SER 9 HA SER 9 35.642 23.238 24.286
45 HB2 SER 9 HB2 SER 9 33.774 21.814 24.009
46 HB3 SER 9 HB3 SER 9 34.266 22.187 22.319
47 HG SER 9 HG SER 9 35.067 20.120 22.146
48 H SER 10 H SER 10 37.696 20.643 23.305
49 HA SER 10 HA SER 10 37.427 19.113 25.783
50 HB2 SER 10 HB2 SER 10 39.872 19.049 23.925
51 HB3 SER 10 HB3 SER 10 39.321 17.880 25.184
52 HG SER 10 HG SER 10 38.179 18.795 22.759
53 H GLU 11 H GLU 11 39.057 22.170 25.260
54 HA GLU 11 HA GLU 11 40.864 21.764 27.654
55 HB2 GLU 11 HB2 GLU 11 40.816 23.775 25.485
56 HB3 GLU 11 HB3 GLU 11 41.400 24.230 27.105
57 HG2 GLU 11 HG2 GLU 11 42.882 22.169 27.010
58 HG3 GLU 11 HG3 GLU 11 42.759 22.136 25.336
59 H ILE 12 H ILE 12 37.932 23.470 26.480
60 HA ILE 12 HA ILE 12 37.847 24.997 29.028
61 HB ILE 12 HB ILE 12 35.997 26.246 28.188
62 HG12 ILE 12 HG12 ILE 12 36.373 24.813 25.440
63 HG13 ILE 12 HG13 ILE 12 35.441 23.907 26.623
64 HG21 ILE 12 HG21 ILE 12 38.281 26.189 26.193
65 HG22 ILE 12 HG22 ILE 12 37.044 27.453 26.157
66 HG23 ILE 12 HG23 ILE 12 38.034 27.271 27.593
67 HD11 ILE 12 HD11 ILE 12 33.845 25.367 25.357
68 HD12 ILE 12 HD12 ILE 12 33.841 25.668 27.050
69 HD13 ILE 12 HD13 ILE 12 34.770 26.740 25.993
70 H THR 13 H THR 13 36.396 22.159 27.921
71 HA THR 13 HA THR 13 33.904 22.098 28.749
72 HB THR 13 HB THR 13 35.053 20.332 27.759
73 HG1 THR 13 HG1 THR 13 33.287 19.673 29.066
74 HG21 THR 13 HG21 THR 13 36.565 18.800 28.729
75 HG22 THR 13 HG22 THR 13 37.224 20.489 28.631
76 HG23 THR 13 HG23 THR 13 36.770 19.937 30.168
77 H THR 14 H THR 14 36.466 22.186 31.325
78 HA THR 14 HA THR 14 34.875 21.144 33.385
79 HB THR 14 HB THR 14 36.818 23.386 33.503
80 HG1 THR 14 HG1 THR 14 37.972 21.796 33.021
81 HG21 THR 14 HG21 THR 14 35.506 23.506 35.407
82 HG22 THR 14 HG22 THR 14 35.650 21.697 35.584
83 HG23 THR 14 HG23 THR 14 37.047 22.736 35.949
84 H LYS 15 H LYS 15 35.248 24.463 32.051
85 HA LYS 15 HA LYS 15 33.535 26.071 33.740
86 HB2 LYS 15 HB2 LYS 15 34.374 26.466 30.802
87 HB3 LYS 15 HB3 LYS 15 33.715 27.705 31.869
88 HG2 LYS 15 HG2 LYS 15 35.644 27.601 33.389
89 HG3 LYS 15 HG3 LYS 15 36.338 26.261 32.501
90 HD2 LYS 15 HD2 LYS 15 36.622 27.881 30.566
91 HD3 LYS 15 HD3 LYS 15 35.938 29.192 31.415
92 HE2 LYS 15 HE2 LYS 15 37.403 29.562 32.883
93 HE3 LYS 15 HE3 LYS 15 37.939 27.879 33.032
94 HZ1 LYS 15 HZ1 LYS 15 38.767 29.880 31.025
95 HZ2 LYS 15 HZ2 LYS 15 39.740 28.951 31.970
96 HZ3 LYS 15 HZ3 LYS 15 39.052 28.219 30.780
97 H ASP 16 H ASP 16 32.931 24.481 30.621
98 HA ASP 16 HA ASP 16 30.110 24.883 30.466
99 HB2 ASP 16 HB2 ASP 16 31.585 23.992 28.697
100 HB3 ASP 16 HB3 ASP 16 31.655 22.534 29.546
101 H LEU 17 H LEU 17 31.775 22.565 32.639
102 HA LEU 17 HA LEU 17 29.359 21.006 33.006
103 HB2 LEU 17 HB2 LEU 17 32.238 20.485 33.979
104 HB3 LEU 17 HB3 LEU 17 30.881 19.473 34.456
105 HG LEU 17 HG LEU 17 31.309 20.030 31.506
106 HD11 LEU 17 HD11 LEU 17 33.351 19.061 32.252
107 HD12 LEU 17 HD12 LEU 17 32.481 17.809 33.070
108 HD13 LEU 17 HD13 LEU 17 32.397 18.112 31.219
109 HD21 LEU 17 HD21 LEU 17 29.835 17.584 32.761
110 HD22 LEU 17 HD22 LEU 17 29.074 19.092 32.395
111 HD23 LEU 17 HD23 LEU 17 29.992 18.111 31.158
112 H LYS 18 H LYS 18 31.462 23.256 34.707
113 HA LYS 18 HA LYS 18 29.676 23.347 37.004
114 HB2 LYS 18 HB2 LYS 18 32.203 25.107 36.138
115 HB3 LYS 18 HB3 LYS 18 31.110 25.753 37.184
116 HG2 LYS 18 HG2 LYS 18 32.263 24.612 38.798
117 HG3 LYS 18 HG3 LYS 18 31.298 23.282 38.356
118 HD2 LYS 18 HD2 LYS 18 33.019 22.481 36.794
119 HD3 LYS 18 HD3 LYS 18 33.998 23.955 37.196
120 HE2 LYS 18 HE2 LYS 18 33.313 21.894 39.172
121 HE3 LYS 18 HE3 LYS 18 34.702 21.836 38.080
122 HZ1 LYS 18 HZ1 LYS 18 35.535 23.845 39.225
123 HZ2 LYS 18 HZ2 LYS 18 34.203 24.074 40.093
124 HZ3 LYS 18 HZ3 LYS 18 35.081 22.882 40.416
125 H GLU 19 H GLU 19 29.460 24.836 33.822
126 HA GLU 19 HA GLU 19 27.237 26.538 34.651
127 HB2 GLU 19 HB2 GLU 19 28.558 26.169 32.203
128 HB3 GLU 19 HB3 GLU 19 27.357 25.013 32.016
129 HG2 GLU 19 HG2 GLU 19 25.645 26.749 32.333
130 HG3 GLU 19 HG3 GLU 19 26.853 27.937 32.676
131 H LYS 20 H LYS 20 27.476 23.280 33.229
132 HA LYS 20 HA LYS 20 24.755 22.468 33.382
133 HB2 LYS 20 HB2 LYS 20 27.058 20.562 33.861
134 HB3 LYS 20 HB3 LYS 20 25.495 20.166 33.546
135 HG2 LYS 20 HG2 LYS 20 27.447 21.116 31.541
136 HG3 LYS 20 HG3 LYS 20 26.230 19.774 31.551
137 HD2 LYS 20 HD2 LYS 20 24.550 21.745 31.192
138 HD3 LYS 20 HD3 LYS 20 25.880 22.705 30.862
139 HE2 LYS 20 HE2 LYS 20 25.762 20.115 29.299
140 HE3 LYS 20 HE3 LYS 20 24.608 21.360 28.969
141 HZ1 LYS 20 HZ1 LYS 20 26.504 21.765 27.565
142 HZ2 LYS 20 HZ2 LYS 20 26.637 22.841 28.788
143 HZ3 LYS 20 HZ3 LYS 20 27.499 21.518 28.884
144 H LYS 21 H LYS 21 26.926 22.495 35.992
145 HA LYS 21 HA LYS 21 25.208 21.416 38.051
146 HB2 LYS 21 HB2 LYS 21 27.882 22.846 38.131
147 HB3 LYS 21 HB3 LYS 21 27.001 22.454 39.505
148 HG2 LYS 21 HG2 LYS 21 26.877 20.031 38.966
149 HG3 LYS 21 HG3 LYS 21 27.768 20.237 37.385
150 HD2 LYS 21 HD2 LYS 21 29.575 21.239 38.406
151 HD3 LYS 21 HD3 LYS 21 28.867 20.894 40.061
152 HE2 LYS 21 HE2 LYS 21 29.973 18.975 37.946
153 HE3 LYS 21 HE3 LYS 21 30.699 19.484 39.259
154 HZ1 LYS 21 HZ1 LYS 21 28.296 17.665 39.350
155 HZ2 LYS 21 HZ2 LYS 21 29.733 17.296 39.835
156 HZ3 LYS 21 HZ3 LYS 21 28.919 18.385 40.704
157 H GLU 22 H GLU 22 25.473 24.558 36.523
158 HA GLU 22 HA GLU 22 24.602 25.941 39.056
159 HB2 GLU 22 HB2 GLU 22 26.471 27.003 38.125
160 HB3 GLU 22 HB3 GLU 22 25.621 27.187 36.488
161 HG2 GLU 22 HG2 GLU 22 24.030 28.641 37.635
162 HG3 GLU 22 HG3 GLU 22 24.814 28.593 39.107
163 H VAL 23 H VAL 23 23.966 25.716 35.589
164 HA VAL 23 HA VAL 23 21.188 26.413 35.487
165 HB VAL 23 HB VAL 23 23.178 25.796 33.693
166 HG11 VAL 23 HG11 VAL 23 22.924 23.812 32.463
167 HG12 VAL 23 HG12 VAL 23 23.171 23.401 34.266
168 HG13 VAL 23 HG13 VAL 23 21.609 23.311 33.573
169 HG21 VAL 23 HG21 VAL 23 21.107 26.912 33.077
170 HG22 VAL 23 HG22 VAL 23 21.329 25.591 31.964
171 HG23 VAL 23 HG23 VAL 23 20.220 25.299 33.339
172 H VAL 24 H VAL 24 22.672 23.203 36.339
173 HA VAL 24 HA VAL 24 19.838 22.302 36.645
174 HB VAL 24 HB VAL 24 21.664 20.909 35.732
175 HG11 VAL 24 HG11 VAL 24 23.132 19.641 37.388
176 HG12 VAL 24 HG12 VAL 24 23.008 21.190 38.314
177 HG13 VAL 24 HG13 VAL 24 21.941 19.890 38.696
178 HG21 VAL 24 HG21 VAL 24 20.755 18.839 36.387
179 HG22 VAL 24 HG22 VAL 24 19.868 19.616 37.710
180 HG23 VAL 24 HG23 VAL 24 19.520 20.036 36.138
181 H GLU 25 H GLU 25 21.972 23.533 38.866
182 HA GLU 25 HA GLU 25 20.286 22.800 41.225
183 HB2 GLU 25 HB2 GLU 25 22.681 24.632 40.972
184 HB3 GLU 25 HB3 GLU 25 21.872 24.312 42.544
185 HG2 GLU 25 HG2 GLU 25 23.069 21.949 40.952
186 HG3 GLU 25 HG3 GLU 25 23.863 22.834 42.248
187 H GLU 26 H GLU 26 20.701 25.586 39.123
188 HA GLU 26 HA GLU 26 18.806 27.474 40.389
189 HB2 GLU 26 HB2 GLU 26 19.874 27.469 37.612
190 HB3 GLU 26 HB3 GLU 26 18.765 28.644 38.431
191 HG2 GLU 26 HG2 GLU 26 21.468 27.994 39.495
192 HG3 GLU 26 HG3 GLU 26 21.171 29.358 38.419
193 H ALA 27 H ALA 27 18.475 24.757 38.212
194 HA ALA 27 HA ALA 27 15.633 25.288 37.633
195 HB1 ALA 27 HB1 ALA 27 16.818 22.579 37.825
196 HB2 ALA 27 HB2 ALA 27 15.407 22.971 36.820
197 HB3 ALA 27 HB3 ALA 27 17.063 23.585 36.457
198 H GLU 28 H GLU 28 17.427 23.951 40.323
199 HA GLU 28 HA GLU 28 14.985 23.287 41.932
200 HB2 GLU 28 HB2 GLU 28 17.976 22.942 42.496
201 HB3 GLU 28 HB3 GLU 28 16.761 22.391 43.545
202 HG2 GLU 28 HG2 GLU 28 16.938 21.446 40.680
203 HG3 GLU 28 HG3 GLU 28 17.787 20.610 42.057
204 H ASN 29 H ASN 29 17.196 25.955 41.785
205 HA ASN 29 HA ASN 29 16.958 26.869 44.453
206 HB2 ASN 29 HB2 ASN 29 18.574 27.689 42.711
207 HB3 ASN 29 HB3 ASN 29 17.148 28.471 41.988
208 HD21 ASN 29 HD22 ASN 29 19.500 29.760 42.727
209 HD22 ASN 29 HD21 ASN 29 19.271 30.691 44.173
Start of MODEL 4
1 H1 ACE 1 HH32 ACE 1 35.786 8.176 20.777
2 H2 ACE 1 HH33 ACE 1 37.209 8.485 19.727
3 H3 ACE 1 HH31 ACE 1 36.611 9.778 20.757
4 H SER 2 H SER 2 34.425 10.713 20.497
5 HA SER 2 HA SER 2 33.908 11.214 17.634
6 HB2 SER 2 HB2 SER 2 32.110 11.010 19.980
7 HB3 SER 2 HB3 SER 2 31.492 11.272 18.334
8 HG SER 2 HG SER 2 31.226 9.225 18.641
9 H ASP 3 H ASP 3 35.626 12.658 19.884
10 HA ASP 3 HA ASP 3 34.085 15.055 20.404
11 HB2 ASP 3 HB2 ASP 3 35.195 13.678 22.191
12 HB3 ASP 3 HB3 ASP 3 36.693 14.012 21.392
13 H ALA 4 H ALA 4 36.644 14.053 18.186
14 HA ALA 4 HA ALA 4 37.638 16.747 17.788
15 HB1 ALA 4 HB1 ALA 4 38.639 15.837 15.667
16 HB2 ALA 4 HB2 ALA 4 39.158 15.015 17.119
17 HB3 ALA 4 HB3 ALA 4 37.990 14.360 15.990
18 H ALA 5 H ALA 5 34.942 14.906 16.627
19 HA ALA 5 HA ALA 5 33.924 16.775 14.622
20 HB1 ALA 5 HB1 ALA 5 32.460 14.493 16.121
21 HB2 ALA 5 HB2 ALA 5 31.763 15.480 14.764
22 HB3 ALA 5 HB3 ALA 5 33.087 14.535 14.448
23 H VAL 6 H VAL 6 33.974 16.742 18.037
24 HA VAL 6 HA VAL 6 32.014 18.966 18.007
25 HB VAL 6 HB VAL 6 32.929 17.547 20.430
26 HG11 VAL 6 HG11 VAL 6 31.024 18.558 21.721
27 HG12 VAL 6 HG12 VAL 6 31.787 19.961 20.998
28 HG13 VAL 6 HG13 VAL 6 30.299 19.219 20.314
29 HG21 VAL 6 HG21 VAL 6 30.433 16.614 20.311
30 HG22 VAL 6 HG22 VAL 6 30.401 17.172 18.647
31 HG23 VAL 6 HG23 VAL 6 31.604 16.011 19.173
32 H ASP 7 H ASP 7 34.897 18.871 17.405
33 HA ASP 7 HA ASP 7 36.698 19.839 17.349
34 HB2 ASP 7 HB2 ASP 7 35.402 21.883 16.782
35 HB3 ASP 7 HB3 ASP 7 35.675 22.433 18.309
36 H THR 8 H THR 8 36.542 18.350 19.615
37 HA THR 8 HA THR 8 37.752 17.686 21.322
38 HB THR 8 HB THR 8 39.734 20.032 21.238
39 HG1 THR 8 HG1 THR 8 38.999 18.829 19.179
40 HG21 THR 8 HG21 THR 8 40.883 17.339 21.394
41 HG22 THR 8 HG22 THR 8 40.952 18.799 22.513
42 HG23 THR 8 HG23 THR 8 39.696 17.633 22.638
43 H SER 9 H SER 9 35.626 18.776 21.938
44 HA SER 9 HA SER 9 35.533 20.935 23.716
45 HB2 SER 9 HB2 SER 9 33.363 20.209 24.541
46 HB3 SER 9 HB3 SER 9 33.356 20.222 22.782
47 HG SER 9 HG SER 9 33.892 17.801 23.001
48 H SER 10 H SER 10 36.444 17.566 24.213
49 HA SER 10 HA SER 10 36.680 17.578 27.103
50 HB2 SER 10 HB2 SER 10 38.559 16.124 25.259
51 HB3 SER 10 HB3 SER 10 38.384 15.909 27.048
52 HG SER 10 HG SER 10 36.869 14.956 24.888
53 H GLU 11 H GLU 11 38.819 19.541 25.139
54 HA GLU 11 HA GLU 11 40.378 19.987 27.508
55 HB2 GLU 11 HB2 GLU 11 39.948 21.977 25.281
56 HB3 GLU 11 HB3 GLU 11 41.182 22.031 26.572
57 HG2 GLU 11 HG2 GLU 11 42.148 19.964 25.700
58 HG3 GLU 11 HG3 GLU 11 40.963 19.951 24.398
59 H ILE 12 H ILE 12 37.514 21.629 26.279
60 HA ILE 12 HA ILE 12 37.456 23.765 28.345
61 HB ILE 12 HB ILE 12 35.606 24.841 27.141
62 HG12 ILE 12 HG12 ILE 12 35.657 22.788 24.796
63 HG13 ILE 12 HG13 ILE 12 34.632 22.484 26.195
64 HG21 ILE 12 HG21 ILE 12 37.898 25.323 26.521
65 HG22 ILE 12 HG22 ILE 12 37.831 23.933 25.373
66 HG23 ILE 12 HG23 ILE 12 37.000 25.514 25.119
67 HD11 ILE 12 HD11 ILE 12 34.577 24.989 24.668
68 HD12 ILE 12 HD12 ILE 12 33.491 23.615 24.385
69 HD13 ILE 12 HD13 ILE 12 33.493 24.485 26.015
70 H THR 13 H THR 13 35.865 20.623 28.059
71 HA THR 13 HA THR 13 33.375 21.122 29.151
72 HB THR 13 HB THR 13 34.410 19.048 28.266
73 HG1 THR 13 HG1 THR 13 33.511 17.590 29.536
74 HG21 THR 13 HG21 THR 13 35.952 17.704 29.572
75 HG22 THR 13 HG22 THR 13 36.596 19.421 29.641
76 HG23 THR 13 HG23 THR 13 35.638 18.882 30.940
77 H THR 14 H THR 14 36.265 21.181 31.098
78 HA THR 14 HA THR 14 34.717 21.198 33.553
79 HB THR 14 HB THR 14 37.373 22.754 33.146
80 HG1 THR 14 HG1 THR 14 37.606 20.652 32.679
81 HG21 THR 14 HG21 THR 14 36.280 21.454 35.678
82 HG22 THR 14 HG22 THR 14 37.396 22.819 35.567
83 HG23 THR 14 HG23 THR 14 35.779 23.125 35.215
84 H LYS 15 H LYS 15 35.164 23.799 31.186
85 HA LYS 15 HA LYS 15 34.124 25.908 32.945
86 HB2 LYS 15 HB2 LYS 15 34.270 25.904 29.868
87 HB3 LYS 15 HB3 LYS 15 34.184 27.286 31.033
88 HG2 LYS 15 HG2 LYS 15 36.485 26.890 31.635
89 HG3 LYS 15 HG3 LYS 15 36.587 25.417 30.654
90 HD2 LYS 15 HD2 LYS 15 36.095 26.670 28.600
91 HD3 LYS 15 HD3 LYS 15 36.019 28.150 29.619
92 HE2 LYS 15 HE2 LYS 15 38.269 27.885 30.432
93 HE3 LYS 15 HE3 LYS 15 38.586 26.572 29.342
94 HZ1 LYS 15 HZ1 LYS 15 38.055 28.248 27.496
95 HZ2 LYS 15 HZ2 LYS 15 37.815 29.285 28.594
96 HZ3 LYS 15 HZ3 LYS 15 39.332 28.737 28.446
97 H ASP 16 H ASP 16 32.971 23.969 30.408
98 HA ASP 16 HA ASP 16 30.142 24.551 30.485
99 HB2 ASP 16 HB2 ASP 16 31.583 23.392 28.570
100 HB3 ASP 16 HB3 ASP 16 31.474 21.910 29.575
101 H LEU 17 H LEU 17 31.990 22.194 32.576
102 HA LEU 17 HA LEU 17 29.359 21.207 33.304
103 HB2 LEU 17 HB2 LEU 17 31.972 20.505 34.372
104 HB3 LEU 17 HB3 LEU 17 30.565 19.772 34.794
105 HG LEU 17 HG LEU 17 31.444 19.857 31.975
106 HD11 LEU 17 HD11 LEU 17 31.862 17.353 33.950
107 HD12 LEU 17 HD12 LEU 17 32.632 17.617 32.463
108 HD13 LEU 17 HD13 LEU 17 33.102 18.573 33.736
109 HD21 LEU 17 HD21 LEU 17 29.270 19.360 31.943
110 HD22 LEU 17 HD22 LEU 17 30.023 17.762 31.639
111 HD23 LEU 17 HD23 LEU 17 29.279 18.280 33.233
112 H LYS 18 H LYS 18 31.545 23.766 34.643
113 HA LYS 18 HA LYS 18 29.920 23.986 37.053
114 HB2 LYS 18 HB2 LYS 18 31.744 25.778 35.531
115 HB3 LYS 18 HB3 LYS 18 30.876 26.306 36.972
116 HG2 LYS 18 HG2 LYS 18 33.188 25.669 37.557
117 HG3 LYS 18 HG3 LYS 18 31.873 25.074 38.555
118 HD2 LYS 18 HD2 LYS 18 32.266 22.809 37.553
119 HD3 LYS 18 HD3 LYS 18 33.303 23.472 36.306
120 HE2 LYS 18 HE2 LYS 18 34.499 22.219 37.761
121 HE3 LYS 18 HE3 LYS 18 35.011 23.997 37.880
122 HZ1 LYS 18 HZ1 LYS 18 33.809 24.314 39.806
123 HZ2 LYS 18 HZ2 LYS 18 33.494 22.724 40.111
124 HZ3 LYS 18 HZ3 LYS 18 34.997 23.249 40.110
125 H GLU 19 H GLU 19 29.589 25.191 33.708
126 HA GLU 19 HA GLU 19 27.245 26.755 34.294
127 HB2 GLU 19 HB2 GLU 19 28.713 26.666 32.038
128 HB3 GLU 19 HB3 GLU 19 27.776 25.097 31.782
129 HG2 GLU 19 HG2 GLU 19 25.781 26.672 32.050
130 HG3 GLU 19 HG3 GLU 19 26.913 27.928 31.855
131 H LYS 20 H LYS 20 27.667 23.286 33.365
132 HA LYS 20 HA LYS 20 24.719 22.759 33.550
133 HB2 LYS 20 HB2 LYS 20 26.960 20.792 33.804
134 HB3 LYS 20 HB3 LYS 20 25.315 20.397 33.609
135 HG2 LYS 20 HG2 LYS 20 27.080 21.696 31.517
136 HG3 LYS 20 HG3 LYS 20 26.119 20.220 31.371
137 HD2 LYS 20 HD2 LYS 20 23.992 21.667 31.290
138 HD3 LYS 20 HD3 LYS 20 25.083 23.073 31.318
139 HE2 LYS 20 HE2 LYS 20 25.463 20.915 29.181
140 HE3 LYS 20 HE3 LYS 20 24.349 22.234 29.003
141 HZ1 LYS 20 HZ1 LYS 20 26.270 23.654 29.589
142 HZ2 LYS 20 HZ2 LYS 20 27.231 22.346 29.162
143 HZ3 LYS 20 HZ3 LYS 20 26.119 23.092 28.127
144 H LYS 21 H LYS 21 26.966 23.260 35.999
145 HA LYS 21 HA LYS 21 25.347 21.675 37.940
146 HB2 LYS 21 HB2 LYS 21 28.161 22.989 38.239
147 HB3 LYS 21 HB3 LYS 21 27.225 22.389 39.584
148 HG2 LYS 21 HG2 LYS 21 27.455 20.060 38.721
149 HG3 LYS 21 HG3 LYS 21 27.872 20.671 37.138
150 HD2 LYS 21 HD2 LYS 21 29.911 21.778 38.031
151 HD3 LYS 21 HD3 LYS 21 29.753 21.217 39.593
152 HE2 LYS 21 HE2 LYS 21 29.759 19.498 37.134
153 HE3 LYS 21 HE3 LYS 21 31.272 19.971 37.974
154 HZ1 LYS 21 HZ1 LYS 21 30.783 17.874 38.819
155 HZ2 LYS 21 HZ2 LYS 21 30.107 18.855 39.983
156 HZ3 LYS 21 HZ3 LYS 21 29.218 18.118 38.904
157 H GLU 22 H GLU 22 25.615 24.885 36.776
158 HA GLU 22 HA GLU 22 24.660 26.183 39.404
159 HB2 GLU 22 HB2 GLU 22 26.757 26.972 38.412
160 HB3 GLU 22 HB3 GLU 22 25.968 27.073 36.863
161 HG2 GLU 22 HG2 GLU 22 26.016 29.354 37.883
162 HG3 GLU 22 HG3 GLU 22 24.389 28.821 38.066
163 H VAL 23 H VAL 23 24.297 26.056 35.953
164 HA VAL 23 HA VAL 23 21.482 26.976 35.783
165 HB VAL 23 HB VAL 23 23.464 26.112 34.014
166 HG11 VAL 23 HG11 VAL 23 23.456 23.990 34.410
167 HG12 VAL 23 HG12 VAL 23 21.675 23.778 33.970
168 HG13 VAL 23 HG13 VAL 23 22.933 24.218 32.763
169 HG21 VAL 23 HG21 VAL 23 20.597 26.074 33.461
170 HG22 VAL 23 HG22 VAL 23 21.481 27.539 33.334
171 HG23 VAL 23 HG23 VAL 23 21.740 26.178 32.071
172 H VAL 24 H VAL 24 22.754 23.862 36.686
173 HA VAL 24 HA VAL 24 19.927 22.953 36.710
174 HB VAL 24 HB VAL 24 21.877 21.547 35.820
175 HG11 VAL 24 HG11 VAL 24 22.589 19.945 37.313
176 HG12 VAL 24 HG12 VAL 24 23.227 21.444 37.933
177 HG13 VAL 24 HG13 VAL 24 21.982 20.695 38.823
178 HG21 VAL 24 HG21 VAL 24 19.607 20.280 37.384
179 HG22 VAL 24 HG22 VAL 24 19.652 20.834 35.702
180 HG23 VAL 24 HG23 VAL 24 20.790 19.558 36.191
181 H GLU 25 H GLU 25 22.020 23.884 39.137
182 HA GLU 25 HA GLU 25 20.289 23.147 41.248
183 HB2 GLU 25 HB2 GLU 25 22.559 23.483 41.946
184 HB3 GLU 25 HB3 GLU 25 22.771 25.015 41.212
185 HG2 GLU 25 HG2 GLU 25 21.176 26.046 42.668
186 HG3 GLU 25 HG3 GLU 25 20.831 24.393 43.363
187 H GLU 26 H GLU 26 20.772 26.005 39.258
188 HA GLU 26 HA GLU 26 18.751 27.741 40.540
189 HB2 GLU 26 HB2 GLU 26 20.664 28.221 38.756
190 HB3 GLU 26 HB3 GLU 26 19.375 28.057 37.645
191 HG2 GLU 26 HG2 GLU 26 18.132 29.890 38.697
192 HG3 GLU 26 HG3 GLU 26 19.481 29.990 39.870
193 H ALA 27 H ALA 27 18.380 25.089 38.349
194 HA ALA 27 HA ALA 27 15.497 25.725 38.048
195 HB1 ALA 27 HB1 ALA 27 17.061 23.305 37.074
196 HB2 ALA 27 HB2 ALA 27 15.390 23.848 36.438
197 HB3 ALA 27 HB3 ALA 27 16.840 24.624 35.994
198 H GLU 28 H GLU 28 17.461 23.888 40.180
199 HA GLU 28 HA GLU 28 15.485 21.959 40.910
200 HB2 GLU 28 HB2 GLU 28 18.177 22.827 41.979
201 HB3 GLU 28 HB3 GLU 28 17.198 21.580 42.824
202 HG2 GLU 28 HG2 GLU 28 17.818 21.026 39.883
203 HG3 GLU 28 HG3 GLU 28 18.817 20.470 41.305
204 H ASN 29 H ASN 29 16.768 24.814 42.307
205 HA ASN 29 HA ASN 29 15.596 25.118 44.756
206 HB2 ASN 29 HB2 ASN 29 17.618 26.313 43.781
207 HB3 ASN 29 HB3 ASN 29 16.567 27.302 42.742
208 HD21 ASN 29 HD22 ASN 29 17.253 26.838 46.177
209 HD22 ASN 29 HD21 ASN 29 17.182 28.521 46.516
Start of MODEL 5
1 H1 ACE 1 HH32 ACE 1 39.753 17.864 13.253
2 H2 ACE 1 HH33 ACE 1 39.769 17.290 14.869
3 H3 ACE 1 HH31 ACE 1 39.143 16.202 13.697
4 H SER 2 H SER 2 37.357 16.067 14.992
5 HA SER 2 HA SER 2 35.133 17.527 13.826
6 HB2 SER 2 HB2 SER 2 35.196 15.261 15.748
7 HB3 SER 2 HB3 SER 2 33.732 16.151 15.094
8 HG SER 2 HG SER 2 34.617 14.119 14.152
9 H ASP 3 H ASP 3 36.975 17.864 16.729
10 HA ASP 3 HA ASP 3 35.173 19.393 18.088
11 HB2 ASP 3 HB2 ASP 3 37.227 18.050 18.939
12 HB3 ASP 3 HB3 ASP 3 38.234 19.376 18.469
13 H ALA 4 H ALA 4 37.007 20.308 15.237
14 HA ALA 4 HA ALA 4 37.469 23.094 15.879
15 HB1 ALA 4 HB1 ALA 4 38.884 21.901 14.384
16 HB2 ALA 4 HB2 ALA 4 37.384 21.605 13.421
17 HB3 ALA 4 HB3 ALA 4 38.042 23.256 13.542
18 H ALA 5 H ALA 5 34.757 21.405 14.269
19 HA ALA 5 HA ALA 5 33.305 23.914 13.794
20 HB1 ALA 5 HB1 ALA 5 32.326 21.102 13.877
21 HB2 ALA 5 HB2 ALA 5 31.481 22.435 13.138
22 HB3 ALA 5 HB3 ALA 5 32.931 21.894 12.358
23 H VAL 6 H VAL 6 34.209 22.630 16.540
24 HA VAL 6 HA VAL 6 32.100 23.956 18.164
25 HB VAL 6 HB VAL 6 33.742 21.934 19.401
26 HG11 VAL 6 HG11 VAL 6 31.809 22.006 21.080
27 HG12 VAL 6 HG12 VAL 6 31.865 23.668 20.583
28 HG13 VAL 6 HG13 VAL 6 30.769 22.580 19.798
29 HG21 VAL 6 HG21 VAL 6 31.246 21.311 18.065
30 HG22 VAL 6 HG22 VAL 6 32.900 20.606 17.519
31 HG23 VAL 6 HG23 VAL 6 32.126 20.052 18.936
32 H ASP 7 H ASP 7 34.999 24.525 17.106
33 HA ASP 7 HA ASP 7 36.908 25.348 17.743
34 HB2 ASP 7 HB2 ASP 7 35.125 27.350 17.979
35 HB3 ASP 7 HB3 ASP 7 35.292 27.247 19.657
36 H THR 8 H THR 8 37.201 23.201 18.809
37 HA THR 8 HA THR 8 38.329 21.983 20.414
38 HB THR 8 HB THR 8 39.683 24.642 20.956
39 HG1 THR 8 HG1 THR 8 39.685 24.014 18.755
40 HG21 THR 8 HG21 THR 8 40.760 23.267 22.470
41 HG22 THR 8 HG22 THR 8 40.233 21.747 21.680
42 HG23 THR 8 HG23 THR 8 41.652 22.742 21.074
43 H SER 9 H SER 9 35.948 22.251 21.124
44 HA SER 9 HA SER 9 35.498 23.299 23.683
45 HB2 SER 9 HB2 SER 9 33.367 21.940 23.700
46 HB3 SER 9 HB3 SER 9 33.780 22.723 22.198
47 HG SER 9 HG SER 9 34.699 20.591 21.491
48 H SER 10 H SER 10 36.952 20.313 22.836
49 HA SER 10 HA SER 10 36.874 18.866 25.270
50 HB2 SER 10 HB2 SER 10 39.360 19.273 23.470
51 HB3 SER 10 HB3 SER 10 39.154 18.096 24.791
52 HG SER 10 HG SER 10 37.859 18.492 22.360
53 H GLU 11 H GLU 11 38.459 21.941 24.589
54 HA GLU 11 HA GLU 11 39.983 21.909 27.272
55 HB2 GLU 11 HB2 GLU 11 40.237 23.778 24.759
56 HB3 GLU 11 HB3 GLU 11 40.983 23.966 26.309
57 HG2 GLU 11 HG2 GLU 11 42.264 22.033 26.200
58 HG3 GLU 11 HG3 GLU 11 41.546 21.804 24.489
59 H ILE 12 H ILE 12 37.071 23.106 26.185
60 HA ILE 12 HA ILE 12 36.999 24.915 28.515
61 HB ILE 12 HB ILE 12 34.991 25.868 27.746
62 HG12 ILE 12 HG12 ILE 12 34.971 24.732 24.980
63 HG13 ILE 12 HG13 ILE 12 34.158 23.770 26.313
64 HG21 ILE 12 HG21 ILE 12 37.107 25.867 25.509
65 HG22 ILE 12 HG22 ILE 12 35.847 27.106 25.726
66 HG23 ILE 12 HG23 ILE 12 37.135 26.848 26.937
67 HD11 ILE 12 HD11 ILE 12 32.395 25.050 25.449
68 HD12 ILE 12 HD12 ILE 12 32.845 25.816 26.872
69 HD13 ILE 12 HD13 ILE 12 33.339 26.504 25.300
70 H THR 13 H THR 13 35.914 21.985 27.613
71 HA THR 13 HA THR 13 33.569 21.550 28.725
72 HB THR 13 HB THR 13 34.452 20.188 27.461
73 HG1 THR 13 HG1 THR 13 32.938 19.303 28.985
74 HG21 THR 13 HG21 THR 13 36.383 19.141 29.709
75 HG22 THR 13 HG22 THR 13 36.480 18.658 27.941
76 HG23 THR 13 HG23 THR 13 36.915 20.233 28.551
77 H THR 14 H THR 14 36.290 22.052 30.949
78 HA THR 14 HA THR 14 34.581 20.958 33.209
79 HB THR 14 HB THR 14 37.256 22.356 33.381
80 HG1 THR 14 HG1 THR 14 36.388 19.902 32.734
81 HG21 THR 14 HG21 THR 14 35.885 20.618 35.527
82 HG22 THR 14 HG22 THR 14 37.502 21.133 35.480
83 HG23 THR 14 HG23 THR 14 36.172 22.392 35.564
84 H LYS 15 H LYS 15 35.412 23.924 31.729
85 HA LYS 15 HA LYS 15 34.149 25.786 33.507
86 HB2 LYS 15 HB2 LYS 15 34.628 26.449 30.710
87 HB3 LYS 15 HB3 LYS 15 34.721 27.495 32.091
88 HG2 LYS 15 HG2 LYS 15 36.739 26.813 32.751
89 HG3 LYS 15 HG3 LYS 15 36.788 25.322 31.577
90 HD2 LYS 15 HD2 LYS 15 36.411 27.209 29.733
91 HD3 LYS 15 HD3 LYS 15 36.980 28.284 31.046
92 HE2 LYS 15 HE2 LYS 15 39.062 26.778 31.288
93 HE3 LYS 15 HE3 LYS 15 38.567 26.049 29.724
94 HZ1 LYS 15 HZ1 LYS 15 39.301 28.890 30.156
95 HZ2 LYS 15 HZ2 LYS 15 40.030 27.811 29.215
96 HZ3 LYS 15 HZ3 LYS 15 38.510 28.483 28.908
97 H ASP 16 H ASP 16 33.185 24.382 30.443
98 HA ASP 16 HA ASP 16 30.439 25.127 30.502
99 HB2 ASP 16 HB2 ASP 16 31.622 24.008 28.666
100 HB3 ASP 16 HB3 ASP 16 31.637 22.512 29.692
101 H LEU 17 H LEU 17 32.133 22.510 32.574
102 HA LEU 17 HA LEU 17 29.478 21.445 33.005
103 HB2 LEU 17 HB2 LEU 17 32.246 20.508 33.588
104 HB3 LEU 17 HB3 LEU 17 30.777 19.781 34.482
105 HG LEU 17 HG LEU 17 31.023 20.058 31.460
106 HD11 LEU 17 HD11 LEU 17 32.912 18.686 32.012
107 HD12 LEU 17 HD12 LEU 17 32.043 17.780 33.233
108 HD13 LEU 17 HD13 LEU 17 31.680 17.515 31.541
109 HD21 LEU 17 HD21 LEU 17 29.490 17.860 32.902
110 HD22 LEU 17 HD22 LEU 17 28.951 19.472 33.139
111 HD23 LEU 17 HD23 LEU 17 29.060 18.947 31.454
112 H LYS 18 H LYS 18 31.356 23.762 34.485
113 HA LYS 18 HA LYS 18 29.925 23.792 37.123
114 HB2 LYS 18 HB2 LYS 18 32.036 25.462 35.733
115 HB3 LYS 18 HB3 LYS 18 30.987 26.288 36.748
116 HG2 LYS 18 HG2 LYS 18 32.722 25.798 37.862
117 HG3 LYS 18 HG3 LYS 18 31.469 24.630 38.559
118 HD2 LYS 18 HD2 LYS 18 32.449 22.791 36.930
119 HD3 LYS 18 HD3 LYS 18 33.693 23.913 36.652
120 HE2 LYS 18 HE2 LYS 18 32.695 22.754 39.371
121 HE3 LYS 18 HE3 LYS 18 33.990 22.012 38.384
122 HZ1 LYS 18 HZ1 LYS 18 35.341 23.945 38.683
123 HZ2 LYS 18 HZ2 LYS 18 34.215 24.675 39.631
124 HZ3 LYS 18 HZ3 LYS 18 35.040 23.385 40.158
125 H GLU 19 H GLU 19 29.487 25.173 33.925
126 HA GLU 19 HA GLU 19 27.283 26.616 34.663
127 HB2 GLU 19 HB2 GLU 19 28.879 26.403 32.423
128 HB3 GLU 19 HB3 GLU 19 27.628 25.223 32.048
129 HG2 GLU 19 HG2 GLU 19 25.849 27.093 32.356
130 HG3 GLU 19 HG3 GLU 19 27.232 28.143 32.898
131 H LYS 20 H LYS 20 27.635 23.326 33.412
132 HA LYS 20 HA LYS 20 24.902 22.543 33.183
133 HB2 LYS 20 HB2 LYS 20 27.371 20.849 33.617
134 HB3 LYS 20 HB3 LYS 20 25.756 20.291 33.221
135 HG2 LYS 20 HG2 LYS 20 27.547 21.967 31.285
136 HG3 LYS 20 HG3 LYS 20 27.070 20.338 31.281
137 HD2 LYS 20 HD2 LYS 20 24.656 21.180 31.067
138 HD3 LYS 20 HD3 LYS 20 25.232 22.793 30.722
139 HE2 LYS 20 HE2 LYS 20 25.825 20.129 29.294
140 HE3 LYS 20 HE3 LYS 20 24.614 21.232 28.818
141 HZ1 LYS 20 HZ1 LYS 20 26.520 21.467 27.452
142 HZ2 LYS 20 HZ2 LYS 20 26.357 22.833 28.275
143 HZ3 LYS 20 HZ3 LYS 20 27.506 21.903 28.770
144 H LYS 21 H LYS 21 26.812 23.039 35.878
145 HA LYS 21 HA LYS 21 25.233 21.459 37.892
146 HB2 LYS 21 HB2 LYS 21 27.804 22.956 38.169
147 HB3 LYS 21 HB3 LYS 21 26.947 22.262 39.515
148 HG2 LYS 21 HG2 LYS 21 27.069 19.981 38.724
149 HG3 LYS 21 HG3 LYS 21 27.831 20.472 37.192
150 HD2 LYS 21 HD2 LYS 21 29.771 21.109 38.300
151 HD3 LYS 21 HD3 LYS 21 29.234 20.859 39.966
152 HE2 LYS 21 HE2 LYS 21 28.592 18.463 39.199
153 HE3 LYS 21 HE3 LYS 21 29.746 18.673 37.980
154 HZ1 LYS 21 HZ1 LYS 21 30.221 18.869 41.029
155 HZ2 LYS 21 HZ2 LYS 21 30.742 17.838 40.000
156 HZ3 LYS 21 HZ3 LYS 21 31.419 19.274 39.945
157 H GLU 22 H GLU 22 25.514 24.577 36.628
158 HA GLU 22 HA GLU 22 24.491 26.143 39.071
159 HB2 GLU 22 HB2 GLU 22 26.383 27.062 37.752
160 HB3 GLU 22 HB3 GLU 22 25.199 27.121 36.305
161 HG2 GLU 22 HG2 GLU 22 23.975 28.857 37.520
162 HG3 GLU 22 HG3 GLU 22 24.906 28.629 38.984
163 H VAL 23 H VAL 23 23.901 25.605 35.593
164 HA VAL 23 HA VAL 23 21.277 26.477 35.309
165 HB VAL 23 HB VAL 23 22.976 25.673 33.638
166 HG11 VAL 23 HG11 VAL 23 23.036 23.665 32.712
167 HG12 VAL 23 HG12 VAL 23 23.519 23.390 34.297
168 HG13 VAL 23 HG13 VAL 23 21.867 22.944 33.990
169 HG21 VAL 23 HG21 VAL 23 20.798 26.500 32.983
170 HG22 VAL 23 HG22 VAL 23 21.203 25.083 32.036
171 HG23 VAL 23 HG23 VAL 23 20.000 24.883 33.290
172 H VAL 24 H VAL 24 22.669 23.712 36.481
173 HA VAL 24 HA VAL 24 19.979 22.413 36.789
174 HB VAL 24 HB VAL 24 22.194 21.332 36.019
175 HG11 VAL 24 HG11 VAL 24 23.276 19.888 37.717
176 HG12 VAL 24 HG12 VAL 24 23.107 21.492 38.637
177 HG13 VAL 24 HG13 VAL 24 21.944 20.292 38.860
178 HG21 VAL 24 HG21 VAL 24 21.088 19.100 36.329
179 HG22 VAL 24 HG22 VAL 24 19.991 19.922 37.465
180 HG23 VAL 24 HG23 VAL 24 20.041 20.443 35.752
181 H GLU 25 H GLU 25 22.064 23.870 38.997
182 HA GLU 25 HA GLU 25 20.555 22.945 41.379
183 HB2 GLU 25 HB2 GLU 25 22.616 25.046 40.698
184 HB3 GLU 25 HB3 GLU 25 21.860 25.113 42.290
185 HG2 GLU 25 HG2 GLU 25 23.207 22.674 41.263
186 HG3 GLU 25 HG3 GLU 25 23.995 23.856 42.385
187 H GLU 26 H GLU 26 20.721 25.771 39.304
188 HA GLU 26 HA GLU 26 18.747 27.322 40.584
189 HB2 GLU 26 HB2 GLU 26 19.783 27.493 37.720
190 HB3 GLU 26 HB3 GLU 26 18.531 28.581 38.422
191 HG2 GLU 26 HG2 GLU 26 21.295 28.136 39.576
192 HG3 GLU 26 HG3 GLU 26 20.864 29.426 38.516
193 H ALA 27 H ALA 27 18.386 24.593 38.480
194 HA ALA 27 HA ALA 27 15.562 25.146 37.876
195 HB1 ALA 27 HB1 ALA 27 17.150 22.635 37.661
196 HB2 ALA 27 HB2 ALA 27 15.443 22.806 37.363
197 HB3 ALA 27 HB3 ALA 27 16.751 23.832 36.456
198 H GLU 28 H GLU 28 17.244 23.697 40.445
199 HA GLU 28 HA GLU 28 14.824 22.843 41.793
200 HB2 GLU 28 HB2 GLU 28 17.663 22.737 43.046
201 HB3 GLU 28 HB3 GLU 28 16.155 22.109 43.729
202 HG2 GLU 28 HG2 GLU 28 17.008 21.127 41.020
203 HG3 GLU 28 HG3 GLU 28 17.727 20.486 42.415
204 H ASN 29 H ASN 29 16.586 25.849 41.660
205 HA ASN 29 HA ASN 29 16.265 26.427 44.299
206 HB2 ASN 29 HB2 ASN 29 18.041 27.319 42.951
207 HB3 ASN 29 HB3 ASN 29 16.958 28.204 41.869
208 HD21 ASN 29 HD22 ASN 29 18.161 30.069 42.308
209 HD22 ASN 29 HD21 ASN 29 17.959 30.953 43.802
Start of MODEL 6
1 H1 ACE 1 HH32 ACE 1 37.811 10.807 16.602
2 H2 ACE 1 HH33 ACE 1 38.724 11.769 17.787
3 H3 ACE 1 HH31 ACE 1 37.479 10.795 18.364
4 H SER 2 H SER 2 35.226 11.694 17.989
5 HA SER 2 HA SER 2 34.525 13.633 16.024
6 HB2 SER 2 HB2 SER 2 33.018 12.632 18.449
7 HB3 SER 2 HB3 SER 2 32.293 13.315 16.880
8 HG SER 2 HG SER 2 32.078 11.294 16.748
9 H ASP 3 H ASP 3 35.724 14.010 19.408
10 HA ASP 3 HA ASP 3 34.668 16.631 19.854
11 HB2 ASP 3 HB2 ASP 3 35.591 14.853 21.471
12 HB3 ASP 3 HB3 ASP 3 37.127 15.033 20.751
13 H ALA 4 H ALA 4 37.169 15.504 17.733
14 HA ALA 4 HA ALA 4 39.003 17.643 17.725
15 HB1 ALA 4 HB1 ALA 4 39.681 16.996 15.486
16 HB2 ALA 4 HB2 ALA 4 39.625 15.691 16.742
17 HB3 ALA 4 HB3 ALA 4 38.380 15.725 15.544
18 H ALA 5 H ALA 5 35.853 17.367 16.251
19 HA ALA 5 HA ALA 5 35.901 19.587 14.387
20 HB1 ALA 5 HB1 ALA 5 33.775 17.729 15.633
21 HB2 ALA 5 HB2 ALA 5 33.437 18.829 14.319
22 HB3 ALA 5 HB3 ALA 5 34.391 17.526 14.001
23 H VAL 6 H VAL 6 35.081 18.949 17.768
24 HA VAL 6 HA VAL 6 34.128 21.742 18.081
25 HB VAL 6 HB VAL 6 34.628 19.920 20.276
26 HG11 VAL 6 HG11 VAL 6 33.911 22.353 20.640
27 HG12 VAL 6 HG12 VAL 6 32.354 21.957 19.838
28 HG13 VAL 6 HG13 VAL 6 32.754 21.189 21.302
29 HG21 VAL 6 HG21 VAL 6 32.013 19.775 18.706
30 HG22 VAL 6 HG22 VAL 6 33.242 18.504 18.799
31 HG23 VAL 6 HG23 VAL 6 32.364 18.932 20.245
32 H ASP 7 H ASP 7 37.020 20.656 17.233
33 HA ASP 7 HA ASP 7 39.158 20.940 17.666
34 HB2 ASP 7 HB2 ASP 7 38.175 23.352 17.199
35 HB3 ASP 7 HB3 ASP 7 38.412 23.594 18.946
36 H THR 8 H THR 8 38.387 19.252 19.420
37 HA THR 8 HA THR 8 38.739 18.235 21.221
38 HB THR 8 HB THR 8 41.021 20.201 21.757
39 HG1 THR 8 HG1 THR 8 41.154 19.531 19.677
40 HG21 THR 8 HG21 THR 8 41.149 18.834 23.589
41 HG22 THR 8 HG22 THR 8 40.670 17.315 22.664
42 HG23 THR 8 HG23 THR 8 42.200 18.130 22.454
43 H SER 9 H SER 9 36.682 19.355 21.994
44 HA SER 9 HA SER 9 36.706 21.607 23.965
45 HB2 SER 9 HB2 SER 9 34.388 20.910 24.409
46 HB3 SER 9 HB3 SER 9 34.621 20.943 22.666
47 HG SER 9 HG SER 9 34.851 18.646 23.010
48 H SER 10 H SER 10 37.876 18.317 24.266
49 HA SER 10 HA SER 10 37.145 17.638 26.905
50 HB2 SER 10 HB2 SER 10 39.534 17.097 25.416
51 HB3 SER 10 HB3 SER 10 39.014 16.224 26.948
52 HG SER 10 HG SER 10 37.711 16.432 24.430
53 H GLU 11 H GLU 11 39.785 19.992 25.817
54 HA GLU 11 HA GLU 11 40.671 20.174 28.553
55 HB2 GLU 11 HB2 GLU 11 41.174 21.850 26.047
56 HB3 GLU 11 HB3 GLU 11 41.791 22.467 27.602
57 HG2 GLU 11 HG2 GLU 11 43.233 20.450 27.781
58 HG3 GLU 11 HG3 GLU 11 42.502 19.876 26.254
59 H ILE 12 H ILE 12 38.123 21.654 26.994
60 HA ILE 12 HA ILE 12 38.077 23.642 29.202
61 HB ILE 12 HB ILE 12 36.612 25.233 27.835
62 HG12 ILE 12 HG12 ILE 12 36.958 23.582 25.371
63 HG13 ILE 12 HG13 ILE 12 35.570 23.364 26.579
64 HG21 ILE 12 HG21 ILE 12 39.056 25.674 27.719
65 HG22 ILE 12 HG22 ILE 12 39.202 24.390 26.565
66 HG23 ILE 12 HG23 ILE 12 38.423 25.959 26.121
67 HD11 ILE 12 HD11 ILE 12 36.381 25.950 25.187
68 HD12 ILE 12 HD12 ILE 12 35.003 24.943 24.816
69 HD13 ILE 12 HD13 ILE 12 35.041 25.768 26.404
70 H THR 13 H THR 13 36.305 21.146 28.171
71 HA THR 13 HA THR 13 33.776 21.894 28.755
72 HB THR 13 HB THR 13 34.057 19.797 27.698
73 HG1 THR 13 HG1 THR 13 32.370 19.421 29.058
74 HG21 THR 13 HG21 THR 13 36.372 19.405 28.517
75 HG22 THR 13 HG22 THR 13 35.608 18.666 30.042
76 HG23 THR 13 HG23 THR 13 35.371 17.965 28.439
77 H THR 14 H THR 14 36.215 21.542 31.353
78 HA THR 14 HA THR 14 34.189 20.973 33.445
79 HB THR 14 HB THR 14 36.977 22.246 33.680
80 HG1 THR 14 HG1 THR 14 36.336 19.996 32.814
81 HG21 THR 14 HG21 THR 14 35.381 22.442 35.765
82 HG22 THR 14 HG22 THR 14 35.455 20.678 35.725
83 HG23 THR 14 HG23 THR 14 36.984 21.608 35.860
84 H LYS 15 H LYS 15 35.376 23.804 31.786
85 HA LYS 15 HA LYS 15 34.063 25.953 33.306
86 HB2 LYS 15 HB2 LYS 15 34.722 25.931 30.322
87 HB3 LYS 15 HB3 LYS 15 34.201 27.190 31.407
88 HG2 LYS 15 HG2 LYS 15 36.076 26.766 32.904
89 HG3 LYS 15 HG3 LYS 15 36.786 25.479 31.929
90 HD2 LYS 15 HD2 LYS 15 37.914 27.583 31.567
91 HD3 LYS 15 HD3 LYS 15 37.216 26.975 30.078
92 HE2 LYS 15 HE2 LYS 15 35.317 28.688 30.400
93 HE3 LYS 15 HE3 LYS 15 36.160 29.300 31.742
94 HZ1 LYS 15 HZ1 LYS 15 37.208 29.422 29.013
95 HZ2 LYS 15 HZ2 LYS 15 36.734 30.628 30.051
96 HZ3 LYS 15 HZ3 LYS 15 38.156 29.780 30.224
97 H ASP 16 H ASP 16 32.927 24.140 30.397
98 HA ASP 16 HA ASP 16 30.350 25.161 30.665
99 HB2 ASP 16 HB2 ASP 16 31.102 24.405 28.543
100 HB3 ASP 16 HB3 ASP 16 31.282 22.756 29.052
101 H LEU 17 H LEU 17 31.837 22.738 32.554
102 HA LEU 17 HA LEU 17 29.257 21.315 33.008
103 HB2 LEU 17 HB2 LEU 17 31.995 20.825 33.822
104 HB3 LEU 17 HB3 LEU 17 30.578 20.040 34.579
105 HG LEU 17 HG LEU 17 31.282 20.011 31.578
106 HD11 LEU 17 HD11 LEU 17 32.974 19.029 32.963
107 HD12 LEU 17 HD12 LEU 17 31.782 17.891 33.620
108 HD13 LEU 17 HD13 LEU 17 32.167 17.831 31.878
109 HD21 LEU 17 HD21 LEU 17 28.896 19.471 31.983
110 HD22 LEU 17 HD22 LEU 17 29.775 18.027 31.515
111 HD23 LEU 17 HD23 LEU 17 29.322 18.279 33.230
112 H LYS 18 H LYS 18 31.312 23.749 34.794
113 HA LYS 18 HA LYS 18 29.702 23.691 37.251
114 HB2 LYS 18 HB2 LYS 18 31.621 25.690 35.863
115 HB3 LYS 18 HB3 LYS 18 30.636 26.188 37.191
116 HG2 LYS 18 HG2 LYS 18 32.856 25.746 37.906
117 HG3 LYS 18 HG3 LYS 18 31.625 24.707 38.689
118 HD2 LYS 18 HD2 LYS 18 32.204 22.738 37.151
119 HD3 LYS 18 HD3 LYS 18 33.453 23.638 36.460
120 HE2 LYS 18 HE2 LYS 18 32.941 23.016 39.441
121 HE3 LYS 18 HE3 LYS 18 33.945 22.038 38.491
122 HZ1 LYS 18 HZ1 LYS 18 34.586 24.792 39.331
123 HZ2 LYS 18 HZ2 LYS 18 35.429 23.460 39.594
124 HZ3 LYS 18 HZ3 LYS 18 35.476 24.061 38.149
125 H GLU 19 H GLU 19 29.668 25.262 33.823
126 HA GLU 19 HA GLU 19 27.378 26.764 34.278
127 HB2 GLU 19 HB2 GLU 19 28.805 25.815 32.023
128 HB3 GLU 19 HB3 GLU 19 27.179 25.458 31.808
129 HG2 GLU 19 HG2 GLU 19 26.470 27.563 32.253
130 HG3 GLU 19 HG3 GLU 19 28.202 28.215 32.477
131 H LYS 20 H LYS 20 27.652 23.463 33.492
132 HA LYS 20 HA LYS 20 24.839 22.904 33.287
133 HB2 LYS 20 HB2 LYS 20 27.202 20.967 33.602
134 HB3 LYS 20 HB3 LYS 20 25.472 20.441 33.348
135 HG2 LYS 20 HG2 LYS 20 26.997 22.182 31.376
136 HG3 LYS 20 HG3 LYS 20 27.081 20.451 31.420
137 HD2 LYS 20 HD2 LYS 20 24.731 20.140 31.050
138 HD3 LYS 20 HD3 LYS 20 24.516 22.008 30.980
139 HE2 LYS 20 HE2 LYS 20 25.770 20.161 28.934
140 HE3 LYS 20 HE3 LYS 20 24.319 21.113 28.838
141 HZ1 LYS 20 HZ1 LYS 20 27.094 22.277 29.136
142 HZ2 LYS 20 HZ2 LYS 20 26.216 22.312 27.820
143 HZ3 LYS 20 HZ3 LYS 20 25.776 23.229 29.069
144 H LYS 21 H LYS 21 26.800 23.083 36.032
145 HA LYS 21 HA LYS 21 24.874 21.550 37.709
146 HB2 LYS 21 HB2 LYS 21 27.716 22.601 38.298
147 HB3 LYS 21 HB3 LYS 21 26.581 22.024 39.567
148 HG2 LYS 21 HG2 LYS 21 27.596 20.351 37.247
149 HG3 LYS 21 HG3 LYS 21 28.252 20.310 38.867
150 HD2 LYS 21 HD2 LYS 21 26.296 19.818 40.030
151 HD3 LYS 21 HD3 LYS 21 25.346 19.594 38.653
152 HE2 LYS 21 HE2 LYS 21 26.887 17.912 37.662
153 HE3 LYS 21 HE3 LYS 21 27.782 17.853 39.186
154 HZ1 LYS 21 HZ1 LYS 21 26.082 16.103 39.220
155 HZ2 LYS 21 HZ2 LYS 21 25.390 17.194 40.089
156 HZ3 LYS 21 HZ3 LYS 21 24.920 17.129 38.576
157 H GLU 22 H GLU 22 25.526 24.474 36.721
158 HA GLU 22 HA GLU 22 24.620 25.982 39.101
159 HB2 GLU 22 HB2 GLU 22 26.759 26.724 38.109
160 HB3 GLU 22 HB3 GLU 22 26.047 27.146 36.554
161 HG2 GLU 22 HG2 GLU 22 24.443 28.600 37.725
162 HG3 GLU 22 HG3 GLU 22 25.402 28.177 39.200
163 H VAL 23 H VAL 23 23.941 25.943 35.552
164 HA VAL 23 HA VAL 23 21.371 26.747 35.351
165 HB VAL 23 HB VAL 23 22.879 26.035 33.755
166 HG11 VAL 23 HG11 VAL 23 22.706 23.749 32.614
167 HG12 VAL 23 HG12 VAL 23 23.024 23.621 34.376
168 HG13 VAL 23 HG13 VAL 23 21.485 23.234 33.579
169 HG21 VAL 23 HG21 VAL 23 20.602 26.865 33.319
170 HG22 VAL 23 HG22 VAL 23 20.999 25.637 32.078
171 HG23 VAL 23 HG23 VAL 23 20.021 25.221 33.474
172 H VAL 24 H VAL 24 22.525 23.708 36.556
173 HA VAL 24 HA VAL 24 19.789 22.454 36.973
174 HB VAL 24 HB VAL 24 22.154 21.413 36.387
175 HG11 VAL 24 HG11 VAL 24 23.065 20.111 37.982
176 HG12 VAL 24 HG12 VAL 24 23.057 21.729 38.698
177 HG13 VAL 24 HG13 VAL 24 21.957 20.481 39.275
178 HG21 VAL 24 HG21 VAL 24 21.151 19.464 36.381
179 HG22 VAL 24 HG22 VAL 24 19.885 19.833 37.707
180 HG23 VAL 24 HG23 VAL 24 19.761 20.530 36.175
181 H GLU 25 H GLU 25 22.117 23.999 39.182
182 HA GLU 25 HA GLU 25 20.329 23.330 41.427
183 HB2 GLU 25 HB2 GLU 25 23.108 24.514 41.287
184 HB3 GLU 25 HB3 GLU 25 22.154 24.532 42.866
185 HG2 GLU 25 HG2 GLU 25 22.003 22.332 42.942
186 HG3 GLU 25 HG3 GLU 25 22.970 22.049 41.410
187 H GLU 26 H GLU 26 20.793 25.854 39.230
188 HA GLU 26 HA GLU 26 18.708 27.704 40.484
189 HB2 GLU 26 HB2 GLU 26 19.702 27.522 37.635
190 HB3 GLU 26 HB3 GLU 26 18.574 28.626 38.170
191 HG2 GLU 26 HG2 GLU 26 21.429 28.374 38.886
192 HG3 GLU 26 HG3 GLU 26 20.543 29.736 38.064
193 H ALA 27 H ALA 27 18.575 25.078 38.160
194 HA ALA 27 HA ALA 27 15.704 25.099 37.519
195 HB1 ALA 27 HB1 ALA 27 17.783 22.817 37.366
196 HB2 ALA 27 HB2 ALA 27 16.255 22.795 36.616
197 HB3 ALA 27 HB3 ALA 27 17.535 23.979 36.138
198 H GLU 28 H GLU 28 17.747 23.680 40.013
199 HA GLU 28 HA GLU 28 15.551 22.313 41.356
200 HB2 GLU 28 HB2 GLU 28 17.800 21.443 41.277
201 HB3 GLU 28 HB3 GLU 28 18.409 22.654 42.348
202 HG2 GLU 28 HG2 GLU 28 17.011 21.768 44.195
203 HG3 GLU 28 HG3 GLU 28 16.260 20.660 43.118
204 H ASN 29 H ASN 29 17.016 25.467 41.524
205 HA ASN 29 HA ASN 29 16.372 26.188 44.207
206 HB2 ASN 29 HB2 ASN 29 17.939 27.497 42.911
207 HB3 ASN 29 HB3 ASN 29 16.690 27.902 41.706
208 HD21 ASN 29 HD22 ASN 29 17.483 30.090 42.180
209 HD22 ASN 29 HD21 ASN 29 16.654 30.840 43.571
Start of MODEL 7
1 H1 ACE 1 HH32 ACE 1 35.424 10.297 20.223
2 H2 ACE 1 HH33 ACE 1 34.133 9.093 20.219
3 H3 ACE 1 HH31 ACE 1 35.163 9.168 18.857
4 H SER 2 H SER 2 32.207 10.150 19.782
5 HA SER 2 HA SER 2 31.552 11.823 17.559
6 HB2 SER 2 HB2 SER 2 30.002 11.385 20.097
7 HB3 SER 2 HB3 SER 2 29.362 12.053 18.655
8 HG SER 2 HG SER 2 28.815 9.869 18.592
9 H ASP 3 H ASP 3 33.185 12.918 20.442
10 HA ASP 3 HA ASP 3 31.972 15.265 20.818
11 HB2 ASP 3 HB2 ASP 3 33.381 14.170 22.224
12 HB3 ASP 3 HB3 ASP 3 34.798 14.541 21.114
13 H ALA 4 H ALA 4 33.466 14.451 17.900
14 HA ALA 4 HA ALA 4 34.850 16.773 17.275
15 HB1 ALA 4 HB1 ALA 4 35.408 14.502 16.282
16 HB2 ALA 4 HB2 ALA 4 33.836 14.381 15.534
17 HB3 ALA 4 HB3 ALA 4 34.851 15.728 15.050
18 H ALA 5 H ALA 5 31.432 15.440 16.812
19 HA ALA 5 HA ALA 5 30.591 17.455 15.045
20 HB1 ALA 5 HB1 ALA 5 29.507 15.305 15.405
21 HB2 ALA 5 HB2 ALA 5 29.198 15.577 17.108
22 HB3 ALA 5 HB3 ALA 5 28.299 16.498 15.868
23 H VAL 6 H VAL 6 31.261 17.525 18.538
24 HA VAL 6 HA VAL 6 30.052 20.178 18.977
25 HB VAL 6 HB VAL 6 31.183 18.519 21.074
26 HG11 VAL 6 HG11 VAL 6 30.244 20.968 21.166
27 HG12 VAL 6 HG12 VAL 6 28.604 20.130 21.294
28 HG13 VAL 6 HG13 VAL 6 29.790 19.703 22.430
29 HG21 VAL 6 HG21 VAL 6 28.384 18.160 19.935
30 HG22 VAL 6 HG22 VAL 6 29.518 16.860 20.156
31 HG23 VAL 6 HG23 VAL 6 28.839 17.516 21.576
32 H ASP 7 H ASP 7 32.638 19.314 17.596
33 HA ASP 7 HA ASP 7 34.607 20.513 17.083
34 HB2 ASP 7 HB2 ASP 7 33.050 22.152 16.469
35 HB3 ASP 7 HB3 ASP 7 32.993 22.860 18.112
36 H THR 8 H THR 8 34.779 19.041 19.104
37 HA THR 8 HA THR 8 36.251 18.268 20.660
38 HB THR 8 HB THR 8 38.181 20.679 20.430
39 HG1 THR 8 HG1 THR 8 38.062 19.846 18.477
40 HG21 THR 8 HG21 THR 8 38.602 17.897 21.212
41 HG22 THR 8 HG22 THR 8 39.748 19.305 21.394
42 HG23 THR 8 HG23 THR 8 38.371 19.208 22.365
43 H SER 9 H SER 9 34.019 18.827 21.893
44 HA SER 9 HA SER 9 34.245 21.323 23.532
45 HB2 SER 9 HB2 SER 9 31.987 20.712 24.274
46 HB3 SER 9 HB3 SER 9 32.169 20.164 22.652
47 HG SER 9 HG SER 9 32.499 18.034 23.600
48 H SER 10 H SER 10 35.501 18.032 24.000
49 HA SER 10 HA SER 10 35.800 18.150 26.680
50 HB2 SER 10 HB2 SER 10 37.718 17.100 24.583
51 HB3 SER 10 HB3 SER 10 37.612 16.607 26.441
52 HG SER 10 HG SER 10 36.011 16.097 24.287
53 H GLU 11 H GLU 11 36.855 20.512 24.560
54 HA GLU 11 HA GLU 11 39.430 21.253 25.734
55 HB2 GLU 11 HB2 GLU 11 38.645 21.786 23.425
56 HB3 GLU 11 HB3 GLU 11 37.591 23.007 24.076
57 HG2 GLU 11 HG2 GLU 11 39.731 23.997 25.245
58 HG3 GLU 11 HG3 GLU 11 40.550 22.621 24.403
59 H ILE 12 H ILE 12 36.322 22.580 25.829
60 HA ILE 12 HA ILE 12 36.759 24.198 28.224
61 HB ILE 12 HB ILE 12 34.809 25.317 27.675
62 HG12 ILE 12 HG12 ILE 12 34.505 23.683 25.173
63 HG13 ILE 12 HG13 ILE 12 33.746 23.120 26.585
64 HG21 ILE 12 HG21 ILE 12 36.439 25.133 25.278
65 HG22 ILE 12 HG22 ILE 12 35.251 26.387 25.503
66 HG23 ILE 12 HG23 ILE 12 36.733 26.312 26.540
67 HD11 ILE 12 HD11 ILE 12 32.324 24.356 24.958
68 HD12 ILE 12 HD12 ILE 12 32.173 24.640 26.749
69 HD13 ILE 12 HD13 ILE 12 32.994 25.844 25.850
70 H THR 13 H THR 13 35.316 21.256 27.651
71 HA THR 13 HA THR 13 33.099 20.815 28.911
72 HB THR 13 HB THR 13 34.361 19.268 27.944
73 HG1 THR 13 HG1 THR 13 33.525 17.750 28.739
74 HG21 THR 13 HG21 THR 13 35.991 18.992 30.521
75 HG22 THR 13 HG22 THR 13 36.019 17.993 28.993
76 HG23 THR 13 HG23 THR 13 36.535 19.737 28.978
77 H THR 14 H THR 14 36.069 21.333 30.965
78 HA THR 14 HA THR 14 34.548 21.144 33.435
79 HB THR 14 HB THR 14 37.074 22.828 33.218
80 HG1 THR 14 HG1 THR 14 38.124 20.680 33.583
81 HG21 THR 14 HG21 THR 14 36.309 20.903 35.334
82 HG22 THR 14 HG22 THR 14 37.539 22.150 35.531
83 HG23 THR 14 HG23 THR 14 35.784 22.608 35.300
84 H LYS 15 H LYS 15 35.341 24.042 31.565
85 HA LYS 15 HA LYS 15 33.871 26.049 32.985
86 HB2 LYS 15 HB2 LYS 15 34.101 25.886 29.871
87 HB3 LYS 15 HB3 LYS 15 33.418 27.168 30.908
88 HG2 LYS 15 HG2 LYS 15 35.837 27.346 32.098
89 HG3 LYS 15 HG3 LYS 15 36.288 26.033 31.041
90 HD2 LYS 15 HD2 LYS 15 36.042 27.603 29.061
91 HD3 LYS 15 HD3 LYS 15 35.187 28.777 29.943
92 HE2 LYS 15 HE2 LYS 15 36.910 29.326 31.300
93 HE3 LYS 15 HE3 LYS 15 37.881 27.900 30.651
94 HZ1 LYS 15 HZ1 LYS 15 36.966 30.210 28.938
95 HZ2 LYS 15 HZ2 LYS 15 38.368 30.190 29.517
96 HZ3 LYS 15 HZ3 LYS 15 37.951 28.923 28.558
97 H ASP 16 H ASP 16 32.941 23.872 30.535
98 HA ASP 16 HA ASP 16 30.064 24.312 30.448
99 HB2 ASP 16 HB2 ASP 16 31.721 23.130 28.828
100 HB3 ASP 16 HB3 ASP 16 31.171 21.695 29.721
101 H LEU 17 H LEU 17 31.924 22.214 32.700
102 HA LEU 17 HA LEU 17 29.219 21.052 33.480
103 HB2 LEU 17 HB2 LEU 17 31.989 20.280 34.205
104 HB3 LEU 17 HB3 LEU 17 30.550 19.605 35.044
105 HG LEU 17 HG LEU 17 30.710 19.641 32.069
106 HD11 LEU 17 HD11 LEU 17 32.078 17.685 34.054
107 HD12 LEU 17 HD12 LEU 17 31.918 17.410 32.315
108 HD13 LEU 17 HD13 LEU 17 32.924 18.742 32.866
109 HD21 LEU 17 HD21 LEU 17 29.565 17.725 34.198
110 HD22 LEU 17 HD22 LEU 17 28.570 18.461 32.849
111 HD23 LEU 17 HD23 LEU 17 29.706 17.253 32.525
112 H LYS 18 H LYS 18 31.379 23.654 34.531
113 HA LYS 18 HA LYS 18 30.154 23.981 37.164
114 HB2 LYS 18 HB2 LYS 18 32.117 25.444 35.358
115 HB3 LYS 18 HB3 LYS 18 31.046 26.405 36.398
116 HG2 LYS 18 HG2 LYS 18 32.584 26.148 38.027
117 HG3 LYS 18 HG3 LYS 18 31.782 24.762 38.339
118 HD2 LYS 18 HD2 LYS 18 33.129 23.430 36.770
119 HD3 LYS 18 HD3 LYS 18 34.244 24.892 36.809
120 HE2 LYS 18 HE2 LYS 18 33.613 23.259 39.206
121 HE3 LYS 18 HE3 LYS 18 35.001 22.992 38.287
122 HZ1 LYS 18 HZ1 LYS 18 35.430 24.691 40.159
123 HZ2 LYS 18 HZ2 LYS 18 35.857 25.281 38.768
124 HZ3 LYS 18 HZ3 LYS 18 34.379 25.618 39.475
125 H GLU 19 H GLU 19 29.619 24.981 33.773
126 HA GLU 19 HA GLU 19 27.438 26.778 34.240
127 HB2 GLU 19 HB2 GLU 19 28.637 26.758 32.280
128 HB3 GLU 19 HB3 GLU 19 28.418 24.986 31.906
129 HG2 GLU 19 HG2 GLU 19 26.188 25.208 31.446
130 HG3 GLU 19 HG3 GLU 19 26.153 26.882 31.812
131 H LYS 20 H LYS 20 27.678 23.251 33.417
132 HA LYS 20 HA LYS 20 24.902 22.901 33.271
133 HB2 LYS 20 HB2 LYS 20 27.182 21.115 33.680
134 HB3 LYS 20 HB3 LYS 20 25.625 20.332 33.532
135 HG2 LYS 20 HG2 LYS 20 26.908 21.799 31.238
136 HG3 LYS 20 HG3 LYS 20 26.649 20.111 31.505
137 HD2 LYS 20 HD2 LYS 20 24.053 20.702 31.558
138 HD3 LYS 20 HD3 LYS 20 24.590 22.332 31.248
139 HE2 LYS 20 HE2 LYS 20 24.922 19.747 29.588
140 HE3 LYS 20 HE3 LYS 20 23.954 21.116 29.151
141 HZ1 LYS 20 HZ1 LYS 20 25.907 22.490 28.827
142 HZ2 LYS 20 HZ2 LYS 20 26.946 21.312 28.961
143 HZ3 LYS 20 HZ3 LYS 20 26.048 21.244 27.769
144 H LYS 21 H LYS 21 26.837 23.017 36.061
145 HA LYS 21 HA LYS 21 25.108 21.826 38.192
146 HB2 LYS 21 HB2 LYS 21 27.909 22.746 37.714
147 HB3 LYS 21 HB3 LYS 21 27.264 22.591 39.342
148 HG2 LYS 21 HG2 LYS 21 26.856 20.284 39.180
149 HG3 LYS 21 HG3 LYS 21 27.233 20.126 37.496
150 HD2 LYS 21 HD2 LYS 21 29.546 20.971 38.047
151 HD3 LYS 21 HD3 LYS 21 29.061 21.131 39.753
152 HE2 LYS 21 HE2 LYS 21 28.948 18.397 38.547
153 HE3 LYS 21 HE3 LYS 21 30.509 19.035 38.987
154 HZ1 LYS 21 HZ1 LYS 21 29.624 19.224 41.234
155 HZ2 LYS 21 HZ2 LYS 21 28.104 18.821 40.593
156 HZ3 LYS 21 HZ3 LYS 21 29.268 17.718 40.780
157 H GLU 22 H GLU 22 25.690 24.904 36.691
158 HA GLU 22 HA GLU 22 25.117 26.596 39.008
159 HB2 GLU 22 HB2 GLU 22 26.973 27.474 37.874
160 HB3 GLU 22 HB3 GLU 22 26.193 27.402 36.285
161 HG2 GLU 22 HG2 GLU 22 24.439 28.981 37.017
162 HG3 GLU 22 HG3 GLU 22 25.280 29.170 38.514
163 H VAL 23 H VAL 23 24.197 26.136 35.708
164 HA VAL 23 HA VAL 23 21.627 27.223 35.604
165 HB VAL 23 HB VAL 23 23.147 26.265 33.734
166 HG11 VAL 23 HG11 VAL 23 22.668 24.061 32.772
167 HG12 VAL 23 HG12 VAL 23 23.178 23.845 34.322
168 HG13 VAL 23 HG13 VAL 23 21.379 23.760 33.972
169 HG21 VAL 23 HG21 VAL 23 21.269 26.360 32.314
170 HG22 VAL 23 HG22 VAL 23 20.141 25.802 33.613
171 HG23 VAL 23 HG23 VAL 23 20.890 27.451 33.632
172 H VAL 24 H VAL 24 22.724 24.082 36.722
173 HA VAL 24 HA VAL 24 19.872 23.224 37.185
174 HB VAL 24 HB VAL 24 21.701 21.721 36.177
175 HG11 VAL 24 HG11 VAL 24 21.680 20.494 38.947
176 HG12 VAL 24 HG12 VAL 24 22.696 20.154 37.552
177 HG13 VAL 24 HG13 VAL 24 23.027 21.617 38.419
178 HG21 VAL 24 HG21 VAL 24 19.288 21.220 36.344
179 HG22 VAL 24 HG22 VAL 24 20.142 19.798 36.690
180 HG23 VAL 24 HG23 VAL 24 19.507 20.702 38.026
181 H GLU 25 H GLU 25 22.225 24.635 39.186
182 HA GLU 25 HA GLU 25 20.737 23.698 41.608
183 HB2 GLU 25 HB2 GLU 25 23.115 24.081 41.615
184 HB3 GLU 25 HB3 GLU 25 23.045 25.640 41.054
185 HG2 GLU 25 HG2 GLU 25 21.721 26.441 42.938
186 HG3 GLU 25 HG3 GLU 25 21.668 24.819 43.673
187 H GLU 26 H GLU 26 20.704 26.588 39.335
188 HA GLU 26 HA GLU 26 18.643 28.051 40.734
189 HB2 GLU 26 HB2 GLU 26 19.586 28.068 37.888
190 HB3 GLU 26 HB3 GLU 26 18.177 29.036 38.387
191 HG2 GLU 26 HG2 GLU 26 20.947 29.325 39.386
192 HG3 GLU 26 HG3 GLU 26 19.962 30.374 38.443
193 H ALA 27 H ALA 27 18.665 25.413 38.190
194 HA ALA 27 HA ALA 27 15.752 25.545 37.960
195 HB1 ALA 27 HB1 ALA 27 17.837 23.670 36.870
196 HB2 ALA 27 HB2 ALA 27 16.132 23.942 36.192
197 HB3 ALA 27 HB3 ALA 27 17.365 25.195 36.125
198 H GLU 28 H GLU 28 17.785 23.730 40.236
199 HA GLU 28 HA GLU 28 15.678 21.734 40.676
200 HB2 GLU 28 HB2 GLU 28 18.379 22.078 41.874
201 HB3 GLU 28 HB3 GLU 28 17.168 21.115 42.586
202 HG2 GLU 28 HG2 GLU 28 17.135 19.659 40.525
203 HG3 GLU 28 HG3 GLU 28 18.239 20.708 39.769
204 H ASN 29 H ASN 29 16.249 24.783 41.373
205 HA ASN 29 HA ASN 29 15.424 24.641 44.152
206 HB2 ASN 29 HB2 ASN 29 17.015 26.460 42.947
207 HB3 ASN 29 HB3 ASN 29 15.429 27.241 42.520
208 HD21 ASN 29 HD22 ASN 29 17.602 26.540 45.270
209 HD22 ASN 29 HD21 ASN 29 16.671 27.553 46.385
Start of MODEL 8
1 H1 ACE 1 HH32 ACE 1 35.970 12.713 15.056
2 H2 ACE 1 HH33 ACE 1 37.474 12.981 14.596
3 H3 ACE 1 HH31 ACE 1 37.163 13.479 16.277
4 H SER 2 H SER 2 34.591 14.501 15.758
5 HA SER 2 HA SER 2 34.486 16.747 13.972
6 HB2 SER 2 HB2 SER 2 32.690 15.745 16.358
7 HB3 SER 2 HB3 SER 2 32.289 17.128 15.385
8 HG SER 2 HG SER 2 31.610 14.763 14.678
9 H ASP 3 H ASP 3 35.750 16.294 17.072
10 HA ASP 3 HA ASP 3 35.112 18.788 18.271
11 HB2 ASP 3 HB2 ASP 3 36.162 16.559 19.126
12 HB3 ASP 3 HB3 ASP 3 37.643 17.412 18.788
13 H ALA 4 H ALA 4 37.577 18.005 15.769
14 HA ALA 4 HA ALA 4 39.295 20.322 16.139
15 HB1 ALA 4 HB1 ALA 4 38.412 19.427 13.494
16 HB2 ALA 4 HB2 ALA 4 39.936 20.164 13.795
17 HB3 ALA 4 HB3 ALA 4 39.670 18.489 14.308
18 H ALA 5 H ALA 5 36.101 20.253 14.742
19 HA ALA 5 HA ALA 5 36.471 22.997 13.974
20 HB1 ALA 5 HB1 ALA 5 33.874 21.354 13.990
21 HB2 ALA 5 HB2 ALA 5 34.067 23.025 13.199
22 HB3 ALA 5 HB3 ALA 5 34.973 21.715 12.624
23 H VAL 6 H VAL 6 35.844 21.728 16.979
24 HA VAL 6 HA VAL 6 34.926 24.353 17.958
25 HB VAL 6 HB VAL 6 35.022 22.026 19.745
26 HG11 VAL 6 HG11 VAL 6 34.157 24.661 20.117
27 HG12 VAL 6 HG12 VAL 6 32.814 23.955 19.271
28 HG13 VAL 6 HG13 VAL 6 33.279 23.298 20.881
29 HG21 VAL 6 HG21 VAL 6 32.867 22.346 17.621
30 HG22 VAL 6 HG22 VAL 6 33.995 20.967 17.931
31 HG23 VAL 6 HG23 VAL 6 32.831 21.328 19.098
32 H ASP 7 H ASP 7 37.905 23.200 17.243
33 HA ASP 7 HA ASP 7 39.833 23.338 17.842
34 HB2 ASP 7 HB2 ASP 7 39.359 25.744 17.853
35 HB3 ASP 7 HB3 ASP 7 39.168 25.691 19.576
36 H THR 8 H THR 8 38.419 21.352 19.079
37 HA THR 8 HA THR 8 38.825 19.611 20.398
38 HB THR 8 HB THR 8 41.420 20.719 21.506
39 HG1 THR 8 HG1 THR 8 41.578 20.524 19.495
40 HG21 THR 8 HG21 THR 8 40.422 17.920 21.118
41 HG22 THR 8 HG22 THR 8 41.917 18.370 21.927
42 HG23 THR 8 HG23 THR 8 40.242 18.659 22.643
43 H SER 9 H SER 9 36.870 20.806 21.226
44 HA SER 9 HA SER 9 36.946 22.447 23.677
45 HB2 SER 9 HB2 SER 9 34.705 22.503 23.488
46 HB3 SER 9 HB3 SER 9 35.245 22.704 21.890
47 HG SER 9 HG SER 9 35.006 20.249 21.725
48 H SER 10 H SER 10 37.040 18.946 23.103
49 HA SER 10 HA SER 10 36.328 17.968 25.680
50 HB2 SER 10 HB2 SER 10 38.665 17.307 23.889
51 HB3 SER 10 HB3 SER 10 37.954 16.391 25.294
52 HG SER 10 HG SER 10 36.704 16.804 22.737
53 H GLU 11 H GLU 11 39.259 20.160 24.983
54 HA GLU 11 HA GLU 11 40.288 19.240 27.553
55 HB2 GLU 11 HB2 GLU 11 40.927 21.506 25.723
56 HB3 GLU 11 HB3 GLU 11 42.051 21.252 27.063
57 HG2 GLU 11 HG2 GLU 11 41.936 18.792 25.762
58 HG3 GLU 11 HG3 GLU 11 41.481 19.864 24.463
59 H ILE 12 H ILE 12 38.279 21.848 26.588
60 HA ILE 12 HA ILE 12 38.527 23.324 29.131
61 HB ILE 12 HB ILE 12 37.224 25.055 28.081
62 HG12 ILE 12 HG12 ILE 12 37.055 23.869 25.367
63 HG13 ILE 12 HG13 ILE 12 35.851 23.216 26.446
64 HG21 ILE 12 HG21 ILE 12 39.353 24.116 26.044
65 HG22 ILE 12 HG22 ILE 12 38.797 25.767 26.266
66 HG23 ILE 12 HG23 ILE 12 39.636 25.035 27.641
67 HD11 ILE 12 HD11 ILE 12 36.419 26.182 25.667
68 HD12 ILE 12 HD12 ILE 12 35.064 25.275 25.376
69 HD13 ILE 12 HD13 ILE 12 35.445 25.774 27.141
70 H THR 13 H THR 13 36.308 21.099 27.986
71 HA THR 13 HA THR 13 33.790 21.651 28.876
72 HB THR 13 HB THR 13 34.486 19.612 27.701
73 HG1 THR 13 HG1 THR 13 33.485 18.008 28.760
74 HG21 THR 13 HG21 THR 13 36.699 19.244 29.147
75 HG22 THR 13 HG22 THR 13 35.586 18.300 30.212
76 HG23 THR 13 HG23 THR 13 35.784 17.968 28.502
77 H THR 14 H THR 14 36.270 21.337 31.232
78 HA THR 14 HA THR 14 34.501 20.892 33.409
79 HB THR 14 HB THR 14 36.929 22.654 33.841
80 HG1 THR 14 HG1 THR 14 37.691 20.916 32.598
81 HG21 THR 14 HG21 THR 14 35.377 22.169 35.663
82 HG22 THR 14 HG22 THR 14 35.514 20.473 35.323
83 HG23 THR 14 HG23 THR 14 36.980 21.347 35.866
84 H LYS 15 H LYS 15 35.306 23.745 31.628
85 HA LYS 15 HA LYS 15 34.049 25.786 33.321
86 HB2 LYS 15 HB2 LYS 15 34.589 25.816 30.369
87 HB3 LYS 15 HB3 LYS 15 34.114 27.182 31.268
88 HG2 LYS 15 HG2 LYS 15 35.916 27.294 32.797
89 HG3 LYS 15 HG3 LYS 15 36.481 25.767 32.293
90 HD2 LYS 15 HD2 LYS 15 37.184 26.223 30.247
91 HD3 LYS 15 HD3 LYS 15 36.244 27.710 30.107
92 HE2 LYS 15 HE2 LYS 15 37.746 28.954 31.531
93 HE3 LYS 15 HE3 LYS 15 38.364 27.393 32.303
94 HZ1 LYS 15 HZ1 LYS 15 39.660 27.099 30.373
95 HZ2 LYS 15 HZ2 LYS 15 39.186 28.503 29.752
96 HZ3 LYS 15 HZ3 LYS 15 40.150 28.473 31.108
97 H ASP 16 H ASP 16 33.115 23.858 30.532
98 HA ASP 16 HA ASP 16 30.401 24.632 30.270
99 HB2 ASP 16 HB2 ASP 16 31.778 23.447 28.591
100 HB3 ASP 16 HB3 ASP 16 31.426 21.945 29.567
101 H LEU 17 H LEU 17 31.754 22.161 32.369
102 HA LEU 17 HA LEU 17 29.071 21.158 33.028
103 HB2 LEU 17 HB2 LEU 17 31.832 20.363 33.858
104 HB3 LEU 17 HB3 LEU 17 30.370 19.507 34.527
105 HG LEU 17 HG LEU 17 30.953 19.584 31.610
106 HD11 LEU 17 HD11 LEU 17 32.880 18.581 32.478
107 HD12 LEU 17 HD12 LEU 17 31.845 17.547 33.567
108 HD13 LEU 17 HD13 LEU 17 31.904 17.383 31.796
109 HD21 LEU 17 HD21 LEU 17 29.386 17.687 33.374
110 HD22 LEU 17 HD22 LEU 17 28.665 19.153 32.393
111 HD23 LEU 17 HD23 LEU 17 29.276 17.757 31.592
112 H LYS 18 H LYS 18 31.262 23.660 34.168
113 HA LYS 18 HA LYS 18 29.913 23.818 36.836
114 HB2 LYS 18 HB2 LYS 18 32.157 25.186 35.219
115 HB3 LYS 18 HB3 LYS 18 31.392 26.313 36.190
116 HG2 LYS 18 HG2 LYS 18 33.119 25.564 37.551
117 HG3 LYS 18 HG3 LYS 18 31.601 24.974 38.300
118 HD2 LYS 18 HD2 LYS 18 31.913 22.820 37.449
119 HD3 LYS 18 HD3 LYS 18 33.290 23.277 36.463
120 HE2 LYS 18 HE2 LYS 18 33.981 22.001 38.297
121 HE3 LYS 18 HE3 LYS 18 34.659 23.543 38.527
122 HZ1 LYS 18 HZ1 LYS 18 32.081 23.113 39.743
123 HZ2 LYS 18 HZ2 LYS 18 33.459 22.781 40.633
124 HZ3 LYS 18 HZ3 LYS 18 33.181 24.248 40.000
125 H GLU 19 H GLU 19 29.538 24.917 33.583
126 HA GLU 19 HA GLU 19 27.358 26.749 34.284
127 HB2 GLU 19 HB2 GLU 19 28.676 26.641 32.160
128 HB3 GLU 19 HB3 GLU 19 27.858 25.123 31.750
129 HG2 GLU 19 HG2 GLU 19 25.750 26.553 32.091
130 HG3 GLU 19 HG3 GLU 19 26.965 27.907 31.741
131 H LYS 20 H LYS 20 27.455 23.293 33.172
132 HA LYS 20 HA LYS 20 24.771 22.788 33.516
133 HB2 LYS 20 HB2 LYS 20 27.125 20.871 33.649
134 HB3 LYS 20 HB3 LYS 20 25.354 20.400 33.434
135 HG2 LYS 20 HG2 LYS 20 27.078 21.819 31.436
136 HG3 LYS 20 HG3 LYS 20 26.212 20.355 31.408
137 HD2 LYS 20 HD2 LYS 20 24.070 21.335 31.068
138 HD3 LYS 20 HD3 LYS 20 24.663 22.963 31.460
139 HE2 LYS 20 HE2 LYS 20 24.822 21.386 29.096
140 HE3 LYS 20 HE3 LYS 20 24.316 23.098 29.276
141 HZ1 LYS 20 HZ1 LYS 20 26.510 22.973 28.198
142 HZ2 LYS 20 HZ2 LYS 20 26.625 23.793 29.557
143 HZ3 LYS 20 HZ3 LYS 20 27.269 22.316 29.357
144 H LYS 21 H LYS 21 27.063 22.998 36.206
145 HA LYS 21 HA LYS 21 24.978 21.884 38.094
146 HB2 LYS 21 HB2 LYS 21 27.788 22.977 38.632
147 HB3 LYS 21 HB3 LYS 21 26.648 22.360 39.833
148 HG2 LYS 21 HG2 LYS 21 26.439 20.179 38.916
149 HG3 LYS 21 HG3 LYS 21 27.538 20.574 37.562
150 HD2 LYS 21 HD2 LYS 21 29.423 20.775 39.024
151 HD3 LYS 21 HD3 LYS 21 28.454 20.734 40.458
152 HE2 LYS 21 HE2 LYS 21 27.963 18.335 40.139
153 HE3 LYS 21 HE3 LYS 21 28.527 18.439 38.384
154 HZ1 LYS 21 HZ1 LYS 21 30.060 17.304 39.757
155 HZ2 LYS 21 HZ2 LYS 21 30.726 18.777 39.388
156 HZ3 LYS 21 HZ3 LYS 21 30.138 18.403 40.851
157 H GLU 22 H GLU 22 25.753 24.877 36.689
158 HA GLU 22 HA GLU 22 25.304 26.497 39.086
159 HB2 GLU 22 HB2 GLU 22 27.198 27.196 37.561
160 HB3 GLU 22 HB3 GLU 22 25.878 27.520 36.387
161 HG2 GLU 22 HG2 GLU 22 26.280 29.642 37.546
162 HG3 GLU 22 HG3 GLU 22 24.692 28.898 37.913
163 H VAL 23 H VAL 23 24.240 26.269 35.561
164 HA VAL 23 HA VAL 23 21.902 27.472 35.586
165 HB VAL 23 HB VAL 23 23.387 26.225 33.682
166 HG11 VAL 23 HG11 VAL 23 22.951 23.913 34.344
167 HG12 VAL 23 HG12 VAL 23 21.306 24.149 34.136
168 HG13 VAL 23 HG13 VAL 23 22.295 24.159 32.763
169 HG21 VAL 23 HG21 VAL 23 21.360 26.487 32.142
170 HG22 VAL 23 HG22 VAL 23 20.386 26.415 33.628
171 HG23 VAL 23 HG23 VAL 23 21.467 27.821 33.320
172 H VAL 24 H VAL 24 22.796 24.128 36.678
173 HA VAL 24 HA VAL 24 19.943 23.731 36.766
174 HB VAL 24 HB VAL 24 21.716 21.886 35.985
175 HG11 VAL 24 HG11 VAL 24 22.953 21.984 38.353
176 HG12 VAL 24 HG12 VAL 24 21.415 21.159 38.770
177 HG13 VAL 24 HG13 VAL 24 22.606 20.530 37.444
178 HG21 VAL 24 HG21 VAL 24 20.255 20.089 36.397
179 HG22 VAL 24 HG22 VAL 24 19.497 20.755 37.728
180 HG23 VAL 24 HG23 VAL 24 19.428 21.624 36.060
181 H GLU 25 H GLU 25 22.275 24.495 39.352
182 HA GLU 25 HA GLU 25 20.594 23.652 41.344
183 HB2 GLU 25 HB2 GLU 25 22.771 24.179 41.796
184 HB3 GLU 25 HB3 GLU 25 22.462 25.867 41.248
185 HG2 GLU 25 HG2 GLU 25 21.090 26.159 43.197
186 HG3 GLU 25 HG3 GLU 25 21.671 24.547 43.858
187 H GLU 26 H GLU 26 20.185 26.530 39.216
188 HA GLU 26 HA GLU 26 18.032 27.636 40.805
189 HB2 GLU 26 HB2 GLU 26 17.605 29.173 39.341
190 HB3 GLU 26 HB3 GLU 26 19.384 28.994 39.562
191 HG2 GLU 26 HG2 GLU 26 19.714 28.315 37.496
192 HG3 GLU 26 HG3 GLU 26 18.107 27.593 37.224
193 H ALA 27 H ALA 27 18.315 24.847 38.692
194 HA ALA 27 HA ALA 27 15.458 24.896 37.877
195 HB1 ALA 27 HB1 ALA 27 17.683 22.921 37.292
196 HB2 ALA 27 HB2 ALA 27 15.979 22.990 36.714
197 HB3 ALA 27 HB3 ALA 27 17.109 24.203 36.140
198 H GLU 28 H GLU 28 17.575 23.574 40.308
199 HA GLU 28 HA GLU 28 15.634 21.572 41.137
200 HB2 GLU 28 HB2 GLU 28 18.335 22.428 42.167
201 HB3 GLU 28 HB3 GLU 28 17.428 21.228 42.903
202 HG2 GLU 28 HG2 GLU 28 18.404 21.062 39.949
203 HG3 GLU 28 HG3 GLU 28 19.211 20.278 41.265
204 H ASN 29 H ASN 29 16.808 24.595 42.130
205 HA ASN 29 HA ASN 29 15.011 25.006 44.462
206 HB2 ASN 29 HB2 ASN 29 17.299 26.897 43.513
207 HB3 ASN 29 HB3 ASN 29 16.206 27.118 44.802
208 HD21 ASN 29 HD22 ASN 29 18.928 25.122 43.744
209 HD22 ASN 29 HD21 ASN 29 19.116 24.297 45.296
Start of MODEL 9
1 H1 ACE 1 HH32 ACE 1 32.849 15.037 13.454
2 H2 ACE 1 HH33 ACE 1 33.627 16.626 13.263
3 H3 ACE 1 HH31 ACE 1 33.976 15.568 14.678
4 H SER 2 H SER 2 31.909 14.698 15.545
5 HA SER 2 HA SER 2 29.627 16.215 16.248
6 HB2 SER 2 HB2 SER 2 31.250 14.660 18.213
7 HB3 SER 2 HB3 SER 2 29.538 14.859 18.244
8 HG SER 2 HG SER 2 30.161 12.838 17.410
9 H ASP 3 H ASP 3 32.974 16.583 17.716
10 HA ASP 3 HA ASP 3 32.023 19.001 19.121
11 HB2 ASP 3 HB2 ASP 3 32.958 17.066 20.313
12 HB3 ASP 3 HB3 ASP 3 34.551 17.223 19.378
13 H ALA 4 H ALA 4 33.701 18.272 16.159
14 HA ALA 4 HA ALA 4 35.406 20.638 16.293
15 HB1 ALA 4 HB1 ALA 4 36.113 18.772 15.092
16 HB2 ALA 4 HB2 ALA 4 34.499 18.576 14.269
17 HB3 ALA 4 HB3 ALA 4 35.614 19.852 13.936
18 H ALA 5 H ALA 5 31.898 19.876 15.480
19 HA ALA 5 HA ALA 5 31.513 22.235 13.728
20 HB1 ALA 5 HB1 ALA 5 30.022 20.140 13.685
21 HB2 ALA 5 HB2 ALA 5 29.581 20.687 15.296
22 HB3 ALA 5 HB3 ALA 5 29.181 21.686 13.939
23 H VAL 6 H VAL 6 30.995 21.499 17.129
24 HA VAL 6 HA VAL 6 30.521 24.153 18.216
25 HB VAL 6 HB VAL 6 31.665 21.748 19.696
26 HG11 VAL 6 HG11 VAL 6 29.243 23.412 20.596
27 HG12 VAL 6 HG12 VAL 6 29.982 22.209 21.538
28 HG13 VAL 6 HG13 VAL 6 30.875 23.714 21.086
29 HG21 VAL 6 HG21 VAL 6 30.060 20.570 18.402
30 HG22 VAL 6 HG22 VAL 6 29.437 20.671 20.083
31 HG23 VAL 6 HG23 VAL 6 28.763 21.736 18.848
32 H ASP 7 H ASP 7 33.117 23.321 16.704
33 HA ASP 7 HA ASP 7 35.299 24.101 16.511
34 HB2 ASP 7 HB2 ASP 7 34.029 26.000 16.548
35 HB3 ASP 7 HB3 ASP 7 34.232 26.225 18.365
36 H THR 8 H THR 8 35.011 21.955 18.246
37 HA THR 8 HA THR 8 36.144 20.665 19.392
38 HB THR 8 HB THR 8 38.433 22.526 19.176
39 HG1 THR 8 HG1 THR 8 37.735 21.945 17.272
40 HG21 THR 8 HG21 THR 8 38.756 20.528 20.907
41 HG22 THR 8 HG22 THR 8 38.548 19.467 19.421
42 HG23 THR 8 HG23 THR 8 39.797 20.640 19.518
43 H SER 9 H SER 9 34.447 21.468 21.033
44 HA SER 9 HA SER 9 35.314 23.238 23.149
45 HB2 SER 9 HB2 SER 9 33.157 23.015 23.975
46 HB3 SER 9 HB3 SER 9 33.038 23.418 22.286
47 HG SER 9 HG SER 9 32.907 20.953 22.088
48 H SER 10 H SER 10 35.851 19.933 22.751
49 HA SER 10 HA SER 10 35.619 19.000 25.520
50 HB2 SER 10 HB2 SER 10 37.495 18.061 23.360
51 HB3 SER 10 HB3 SER 10 37.267 17.105 24.750
52 HG SER 10 HG SER 10 35.563 17.757 22.633
53 H GLU 11 H GLU 11 37.543 21.236 24.361
54 HA GLU 11 HA GLU 11 39.603 20.958 26.471
55 HB2 GLU 11 HB2 GLU 11 39.325 23.248 24.564
56 HB3 GLU 11 HB3 GLU 11 40.537 23.254 25.778
57 HG2 GLU 11 HG2 GLU 11 41.233 20.868 24.708
58 HG3 GLU 11 HG3 GLU 11 40.245 21.373 23.402
59 H ILE 12 H ILE 12 36.701 22.899 26.006
60 HA ILE 12 HA ILE 12 37.199 24.191 28.598
61 HB ILE 12 HB ILE 12 35.473 25.730 28.176
62 HG12 ILE 12 HG12 ILE 12 34.959 24.848 25.275
63 HG13 ILE 12 HG13 ILE 12 34.209 23.910 26.323
64 HG21 ILE 12 HG21 ILE 12 37.658 26.556 27.313
65 HG22 ILE 12 HG22 ILE 12 37.079 25.926 25.711
66 HG23 ILE 12 HG23 ILE 12 36.316 27.316 26.485
67 HD11 ILE 12 HD11 ILE 12 32.854 25.813 27.150
68 HD12 ILE 12 HD12 ILE 12 34.049 26.888 26.311
69 HD13 ILE 12 HD13 ILE 12 32.840 25.838 25.394
70 H THR 13 H THR 13 35.501 21.645 27.489
71 HA THR 13 HA THR 13 33.112 21.548 28.500
72 HB THR 13 HB THR 13 34.241 19.947 27.344
73 HG1 THR 13 HG1 THR 13 32.418 19.244 28.155
74 HG21 THR 13 HG21 THR 13 36.448 19.522 28.284
75 HG22 THR 13 HG22 THR 13 35.708 19.125 29.905
76 HG23 THR 13 HG23 THR 13 35.616 18.045 28.616
77 H THR 14 H THR 14 36.007 21.383 30.736
78 HA THR 14 HA THR 14 34.340 20.875 32.991
79 HB THR 14 HB THR 14 36.972 22.382 33.192
80 HG1 THR 14 HG1 THR 14 37.812 20.407 33.198
81 HG21 THR 14 HG21 THR 14 35.318 20.545 35.172
82 HG22 THR 14 HG22 THR 14 36.972 21.060 35.471
83 HG23 THR 14 HG23 THR 14 35.608 22.178 35.435
84 H LYS 15 H LYS 15 35.244 23.974 31.533
85 HA LYS 15 HA LYS 15 33.954 25.588 33.571
86 HB2 LYS 15 HB2 LYS 15 34.351 26.256 30.690
87 HB3 LYS 15 HB3 LYS 15 34.135 27.391 31.945
88 HG2 LYS 15 HG2 LYS 15 36.538 26.860 32.813
89 HG3 LYS 15 HG3 LYS 15 36.712 25.652 31.514
90 HD2 LYS 15 HD2 LYS 15 37.788 27.628 30.935
91 HD3 LYS 15 HD3 LYS 15 36.532 27.364 29.821
92 HE2 LYS 15 HE2 LYS 15 35.081 29.059 31.401
93 HE3 LYS 15 HE3 LYS 15 36.560 29.342 32.207
94 HZ1 LYS 15 HZ1 LYS 15 35.872 30.109 29.476
95 HZ2 LYS 15 HZ2 LYS 15 36.721 30.963 30.615
96 HZ3 LYS 15 HZ3 LYS 15 37.427 29.758 29.829
97 H ASP 16 H ASP 16 32.916 24.204 30.388
98 HA ASP 16 HA ASP 16 30.314 25.054 30.550
99 HB2 ASP 16 HB2 ASP 16 31.368 24.099 28.610
100 HB3 ASP 16 HB3 ASP 16 31.299 22.417 29.493
101 H LEU 17 H LEU 17 31.971 22.419 32.349
102 HA LEU 17 HA LEU 17 29.363 21.403 33.299
103 HB2 LEU 17 HB2 LEU 17 32.191 20.645 33.674
104 HB3 LEU 17 HB3 LEU 17 30.927 19.866 34.718
105 HG LEU 17 HG LEU 17 30.778 19.909 31.719
106 HD11 LEU 17 HD11 LEU 17 31.801 17.297 32.844
107 HD12 LEU 17 HD12 LEU 17 32.040 18.018 31.372
108 HD13 LEU 17 HD13 LEU 17 32.904 18.675 32.799
109 HD21 LEU 17 HD21 LEU 17 29.368 17.878 32.165
110 HD22 LEU 17 HD22 LEU 17 29.565 18.242 33.893
111 HD23 LEU 17 HD23 LEU 17 28.677 19.384 32.977
112 H LYS 18 H LYS 18 31.588 23.874 34.557
113 HA LYS 18 HA LYS 18 29.898 24.111 36.954
114 HB2 LYS 18 HB2 LYS 18 31.751 26.017 35.362
115 HB3 LYS 18 HB3 LYS 18 30.935 26.471 36.839
116 HG2 LYS 18 HG2 LYS 18 32.916 26.233 37.706
117 HG3 LYS 18 HG3 LYS 18 32.061 24.854 38.232
118 HD2 LYS 18 HD2 LYS 18 33.187 23.488 36.401
119 HD3 LYS 18 HD3 LYS 18 34.179 24.928 35.999
120 HE2 LYS 18 HE2 LYS 18 34.102 23.351 38.737
121 HE3 LYS 18 HE3 LYS 18 35.431 23.295 37.534
122 HZ1 LYS 18 HZ1 LYS 18 34.610 25.395 39.454
123 HZ2 LYS 18 HZ2 LYS 18 36.071 24.661 39.173
124 HZ3 LYS 18 HZ3 LYS 18 35.646 25.745 38.266
125 H GLU 19 H GLU 19 29.447 24.882 33.584
126 HA GLU 19 HA GLU 19 27.246 26.691 34.238
127 HB2 GLU 19 HB2 GLU 19 28.589 26.576 31.919
128 HB3 GLU 19 HB3 GLU 19 27.790 25.041 31.733
129 HG2 GLU 19 HG2 GLU 19 25.664 26.093 32.195
130 HG3 GLU 19 HG3 GLU 19 26.410 27.680 32.353
131 H LYS 20 H LYS 20 27.637 23.356 33.457
132 HA LYS 20 HA LYS 20 24.862 22.721 33.574
133 HB2 LYS 20 HB2 LYS 20 27.160 20.787 33.816
134 HB3 LYS 20 HB3 LYS 20 25.596 20.188 33.642
135 HG2 LYS 20 HG2 LYS 20 27.083 21.805 31.523
136 HG3 LYS 20 HG3 LYS 20 26.727 20.108 31.572
137 HD2 LYS 20 HD2 LYS 20 24.239 20.561 31.437
138 HD3 LYS 20 HD3 LYS 20 24.585 22.255 31.342
139 HE2 LYS 20 HE2 LYS 20 25.422 20.173 29.202
140 HE3 LYS 20 HE3 LYS 20 24.213 21.521 29.190
141 HZ1 LYS 20 HZ1 LYS 20 25.914 23.107 29.197
142 HZ2 LYS 20 HZ2 LYS 20 27.105 22.007 29.367
143 HZ3 LYS 20 HZ3 LYS 20 26.356 22.074 27.976
144 H LYS 21 H LYS 21 26.993 22.802 36.144
145 HA LYS 21 HA LYS 21 25.252 21.423 38.072
146 HB2 LYS 21 HB2 LYS 21 28.024 22.774 38.356
147 HB3 LYS 21 HB3 LYS 21 27.200 22.214 39.697
148 HG2 LYS 21 HG2 LYS 21 27.104 19.924 38.734
149 HG3 LYS 21 HG3 LYS 21 28.004 20.451 37.324
150 HD2 LYS 21 HD2 LYS 21 29.952 21.043 38.673
151 HD3 LYS 21 HD3 LYS 21 28.933 20.651 40.143
152 HE2 LYS 21 HE2 LYS 21 29.746 18.753 37.960
153 HE3 LYS 21 HE3 LYS 21 30.600 18.958 39.467
154 HZ1 LYS 21 HZ1 LYS 21 29.100 17.059 39.715
155 HZ2 LYS 21 HZ2 LYS 21 28.443 18.188 40.588
156 HZ3 LYS 21 HZ3 LYS 21 27.775 17.876 39.156
157 H GLU 22 H GLU 22 25.679 24.618 36.961
158 HA GLU 22 HA GLU 22 25.008 25.800 39.612
159 HB2 GLU 22 HB2 GLU 22 27.009 26.706 38.433
160 HB3 GLU 22 HB3 GLU 22 25.967 27.241 37.127
161 HG2 GLU 22 HG2 GLU 22 24.698 28.608 38.693
162 HG3 GLU 22 HG3 GLU 22 25.542 28.133 40.141
163 H VAL 23 H VAL 23 24.276 25.844 36.136
164 HA VAL 23 HA VAL 23 21.537 26.906 35.987
165 HB VAL 23 HB VAL 23 23.160 26.147 34.068
166 HG11 VAL 23 HG11 VAL 23 23.359 23.847 34.769
167 HG12 VAL 23 HG12 VAL 23 21.719 23.493 34.423
168 HG13 VAL 23 HG13 VAL 23 22.881 24.173 33.082
169 HG21 VAL 23 HG21 VAL 23 21.359 26.130 32.619
170 HG22 VAL 23 HG22 VAL 23 20.336 25.395 33.868
171 HG23 VAL 23 HG23 VAL 23 20.852 27.167 33.884
172 H VAL 24 H VAL 24 22.913 23.835 36.837
173 HA VAL 24 HA VAL 24 20.231 22.709 37.047
174 HB VAL 24 HB VAL 24 22.355 21.306 36.725
175 HG11 VAL 24 HG11 VAL 24 22.755 19.601 38.339
176 HG12 VAL 24 HG12 VAL 24 23.125 21.202 38.948
177 HG13 VAL 24 HG13 VAL 24 21.656 20.330 39.500
178 HG21 VAL 24 HG21 VAL 24 19.968 19.852 37.953
179 HG22 VAL 24 HG22 VAL 24 19.982 20.552 36.318
180 HG23 VAL 24 HG23 VAL 24 21.175 19.340 36.683
181 H GLU 25 H GLU 25 22.394 23.790 39.565
182 HA GLU 25 HA GLU 25 20.755 23.336 41.929
183 HB2 GLU 25 HB2 GLU 25 23.151 24.106 42.098
184 HB3 GLU 25 HB3 GLU 25 22.738 25.451 41.015
185 HG2 GLU 25 HG2 GLU 25 21.479 26.605 42.557
186 HG3 GLU 25 HG3 GLU 25 21.466 25.197 43.662
187 H GLU 26 H GLU 26 21.053 25.920 39.638
188 HA GLU 26 HA GLU 26 18.649 27.567 40.412
189 HB2 GLU 26 HB2 GLU 26 20.687 27.892 38.287
190 HB3 GLU 26 HB3 GLU 26 19.032 27.717 37.503
191 HG2 GLU 26 HG2 GLU 26 18.277 29.425 39.096
192 HG3 GLU 26 HG3 GLU 26 19.931 29.748 39.508
193 H ALA 27 H ALA 27 18.824 24.950 38.122
194 HA ALA 27 HA ALA 27 16.055 25.048 37.581
195 HB1 ALA 27 HB1 ALA 27 17.621 24.000 36.170
196 HB2 ALA 27 HB2 ALA 27 17.768 22.621 37.273
197 HB3 ALA 27 HB3 ALA 27 16.224 22.872 36.461
198 H GLU 28 H GLU 28 17.559 23.983 40.523
199 HA GLU 28 HA GLU 28 15.414 22.218 41.374
200 HB2 GLU 28 HB2 GLU 28 17.809 21.856 41.980
201 HB3 GLU 28 HB3 GLU 28 17.562 23.345 42.921
202 HG2 GLU 28 HG2 GLU 28 16.257 22.196 44.584
203 HG3 GLU 28 HG3 GLU 28 15.603 21.174 43.366
204 H ASN 29 H ASN 29 16.054 25.599 41.204
205 HA ASN 29 HA ASN 29 14.758 26.747 43.600
206 HB2 ASN 29 HB2 ASN 29 16.498 27.891 41.993
207 HB3 ASN 29 HB3 ASN 29 15.139 28.052 40.881
208 HD21 ASN 29 HD22 ASN 29 12.968 29.182 41.998
209 HD22 ASN 29 HD21 ASN 29 13.459 30.417 43.139
Start of MODEL 10
1 H1 ACE 1 HH32 ACE 1 35.600 12.317 16.364
2 H2 ACE 1 HH33 ACE 1 34.772 11.660 15.061
3 H3 ACE 1 HH31 ACE 1 36.046 12.850 14.714
4 H SER 2 H SER 2 33.206 12.703 16.912
5 HA SER 2 HA SER 2 31.721 14.746 15.835
6 HB2 SER 2 HB2 SER 2 31.732 13.940 18.716
7 HB3 SER 2 HB3 SER 2 30.391 14.694 17.960
8 HG SER 2 HG SER 2 29.994 12.459 17.926
9 H ASP 3 H ASP 3 34.216 14.988 18.411
10 HA ASP 3 HA ASP 3 33.512 17.609 19.109
11 HB2 ASP 3 HB2 ASP 3 34.695 15.633 20.485
12 HB3 ASP 3 HB3 ASP 3 36.174 16.275 19.846
13 H ALA 4 H ALA 4 35.373 16.521 16.515
14 HA ALA 4 HA ALA 4 37.257 18.741 16.185
15 HB1 ALA 4 HB1 ALA 4 37.804 16.416 15.498
16 HB2 ALA 4 HB2 ALA 4 36.528 16.625 14.227
17 HB3 ALA 4 HB3 ALA 4 37.992 17.628 14.242
18 H ALA 5 H ALA 5 33.929 17.947 15.427
19 HA ALA 5 HA ALA 5 33.692 20.519 13.962
20 HB1 ALA 5 HB1 ALA 5 32.304 18.695 13.047
21 HB2 ALA 5 HB2 ALA 5 31.786 18.250 14.708
22 HB3 ALA 5 HB3 ALA 5 31.221 19.759 13.941
23 H VAL 6 H VAL 6 34.258 20.125 17.236
24 HA VAL 6 HA VAL 6 32.400 22.375 17.898
25 HB VAL 6 HB VAL 6 33.121 20.145 19.855
26 HG11 VAL 6 HG11 VAL 6 32.431 22.113 21.043
27 HG12 VAL 6 HG12 VAL 6 31.033 22.327 19.793
28 HG13 VAL 6 HG13 VAL 6 31.183 21.101 21.077
29 HG21 VAL 6 HG21 VAL 6 30.564 20.555 18.163
30 HG22 VAL 6 HG22 VAL 6 31.578 19.164 17.927
31 HG23 VAL 6 HG23 VAL 6 30.738 19.499 19.487
32 H ASP 7 H ASP 7 35.502 21.766 17.179
33 HA ASP 7 HA ASP 7 37.531 22.455 17.614
34 HB2 ASP 7 HB2 ASP 7 36.341 24.474 17.376
35 HB3 ASP 7 HB3 ASP 7 36.282 24.821 19.071
36 H THR 8 H THR 8 37.229 20.449 18.874
37 HA THR 8 HA THR 8 37.163 19.080 20.859
38 HB THR 8 HB THR 8 39.856 20.523 21.276
39 HG1 THR 8 HG1 THR 8 39.712 19.882 19.165
40 HG21 THR 8 HG21 THR 8 39.262 18.873 23.042
41 HG22 THR 8 HG22 THR 8 39.190 17.552 21.799
42 HG23 THR 8 HG23 THR 8 40.651 18.446 22.065
43 H SER 9 H SER 9 35.339 20.124 21.725
44 HA SER 9 HA SER 9 35.622 21.890 23.947
45 HB2 SER 9 HB2 SER 9 33.333 21.284 24.515
46 HB3 SER 9 HB3 SER 9 33.467 21.271 22.728
47 HG SER 9 HG SER 9 33.759 18.955 22.847
48 H SER 10 H SER 10 36.607 18.584 23.643
49 HA SER 10 HA SER 10 36.336 17.694 26.345
50 HB2 SER 10 HB2 SER 10 38.388 16.817 24.107
51 HB3 SER 10 HB3 SER 10 37.900 15.923 25.556
52 HG SER 10 HG SER 10 36.482 16.717 23.411
53 H GLU 11 H GLU 11 38.405 20.195 25.104
54 HA GLU 11 HA GLU 11 40.260 20.060 27.491
55 HB2 GLU 11 HB2 GLU 11 40.143 22.251 25.436
56 HB3 GLU 11 HB3 GLU 11 41.231 22.030 26.769
57 HG2 GLU 11 HG2 GLU 11 41.949 19.753 25.916
58 HG3 GLU 11 HG3 GLU 11 41.326 20.241 24.431
59 H ILE 12 H ILE 12 37.750 22.189 26.478
60 HA ILE 12 HA ILE 12 38.065 23.609 28.997
61 HB ILE 12 HB ILE 12 36.451 25.188 28.112
62 HG12 ILE 12 HG12 ILE 12 36.491 23.539 25.497
63 HG13 ILE 12 HG13 ILE 12 35.232 23.347 26.613
64 HG21 ILE 12 HG21 ILE 12 38.951 25.322 27.544
65 HG22 ILE 12 HG22 ILE 12 38.604 24.782 26.006
66 HG23 ILE 12 HG23 ILE 12 37.837 26.311 26.510
67 HD11 ILE 12 HD11 ILE 12 34.690 24.961 24.774
68 HD12 ILE 12 HD12 ILE 12 34.450 25.646 26.444
69 HD13 ILE 12 HD13 ILE 12 35.738 26.152 25.471
70 H THR 13 H THR 13 36.136 21.089 27.987
71 HA THR 13 HA THR 13 33.620 21.598 28.912
72 HB THR 13 HB THR 13 34.121 19.613 27.790
73 HG1 THR 13 HG1 THR 13 32.626 19.601 29.837
74 HG21 THR 13 HG21 THR 13 35.843 19.238 30.122
75 HG22 THR 13 HG22 THR 13 35.376 17.769 29.382
76 HG23 THR 13 HG23 THR 13 36.413 19.041 28.499
77 H THR 14 H THR 14 36.077 21.294 31.297
78 HA THR 14 HA THR 14 34.044 20.854 33.288
79 HB THR 14 HB THR 14 36.815 22.221 33.746
80 HG1 THR 14 HG1 THR 14 37.535 20.593 32.954
81 HG21 THR 14 HG21 THR 14 35.080 22.051 35.607
82 HG22 THR 14 HG22 THR 14 35.153 20.357 35.493
83 HG23 THR 14 HG23 THR 14 36.636 21.127 35.993
84 H LYS 15 H LYS 15 35.325 23.604 31.768
85 HA LYS 15 HA LYS 15 34.072 25.513 33.464
86 HB2 LYS 15 HB2 LYS 15 34.807 25.991 30.580
87 HB3 LYS 15 HB3 LYS 15 34.459 27.164 31.961
88 HG2 LYS 15 HG2 LYS 15 36.442 26.456 33.107
89 HG3 LYS 15 HG3 LYS 15 36.901 25.363 31.823
90 HD2 LYS 15 HD2 LYS 15 38.118 27.641 31.613
91 HD3 LYS 15 HD3 LYS 15 37.183 27.176 30.219
92 HE2 LYS 15 HE2 LYS 15 35.516 28.746 30.668
93 HE3 LYS 15 HE3 LYS 15 35.899 28.847 32.372
94 HZ1 LYS 15 HZ1 LYS 15 38.000 29.835 32.046
95 HZ2 LYS 15 HZ2 LYS 15 37.861 29.857 30.476
96 HZ3 LYS 15 HZ3 LYS 15 36.849 30.750 31.442
97 H ASP 16 H ASP 16 32.989 24.111 30.404
98 HA ASP 16 HA ASP 16 30.379 25.213 30.665
99 HB2 ASP 16 HB2 ASP 16 31.624 24.150 28.616
100 HB3 ASP 16 HB3 ASP 16 31.331 22.592 29.370
101 H LEU 17 H LEU 17 31.818 22.452 32.353
102 HA LEU 17 HA LEU 17 29.010 21.360 32.844
103 HB2 LEU 17 HB2 LEU 17 31.851 20.383 33.573
104 HB3 LEU 17 HB3 LEU 17 30.478 19.846 34.395
105 HG LEU 17 HG LEU 17 30.897 19.874 31.327
106 HD11 LEU 17 HD11 LEU 17 32.522 18.662 32.273
107 HD12 LEU 17 HD12 LEU 17 31.285 17.678 33.301
108 HD13 LEU 17 HD13 LEU 17 31.585 17.561 31.497
109 HD21 LEU 17 HD21 LEU 17 29.167 18.067 31.318
110 HD22 LEU 17 HD22 LEU 17 28.941 18.241 33.104
111 HD23 LEU 17 HD23 LEU 17 28.452 19.568 31.966
112 H LYS 18 H LYS 18 31.477 23.516 34.355
113 HA LYS 18 HA LYS 18 29.983 23.605 36.803
114 HB2 LYS 18 HB2 LYS 18 32.128 25.312 35.533
115 HB3 LYS 18 HB3 LYS 18 31.045 26.196 36.545
116 HG2 LYS 18 HG2 LYS 18 32.882 25.860 37.826
117 HG3 LYS 18 HG3 LYS 18 31.922 24.442 38.379
118 HD2 LYS 18 HD2 LYS 18 33.052 23.005 36.770
119 HD3 LYS 18 HD3 LYS 18 34.175 24.269 36.400
120 HE2 LYS 18 HE2 LYS 18 33.805 22.787 39.054
121 HE3 LYS 18 HE3 LYS 18 35.245 22.948 38.015
122 HZ1 LYS 18 HZ1 LYS 18 35.445 24.372 39.989
123 HZ2 LYS 18 HZ2 LYS 18 35.356 25.292 38.773
124 HZ3 LYS 18 HZ3 LYS 18 34.044 25.117 39.662
125 H GLU 19 H GLU 19 29.569 25.022 33.600
126 HA GLU 19 HA GLU 19 27.485 26.702 34.597
127 HB2 GLU 19 HB2 GLU 19 28.652 26.234 32.100
128 HB3 GLU 19 HB3 GLU 19 27.050 25.396 31.905
129 HG2 GLU 19 HG2 GLU 19 26.051 27.598 32.690
130 HG3 GLU 19 HG3 GLU 19 27.658 28.218 32.837
131 H LYS 20 H LYS 20 27.447 23.404 33.173
132 HA LYS 20 HA LYS 20 24.671 22.966 33.501
133 HB2 LYS 20 HB2 LYS 20 26.879 20.723 33.602
134 HB3 LYS 20 HB3 LYS 20 25.130 20.573 33.265
135 HG2 LYS 20 HG2 LYS 20 27.100 22.132 31.541
136 HG3 LYS 20 HG3 LYS 20 26.435 20.418 31.369
137 HD2 LYS 20 HD2 LYS 20 24.149 21.521 31.622
138 HD3 LYS 20 HD3 LYS 20 24.891 23.052 31.215
139 HE2 LYS 20 HE2 LYS 20 24.639 20.567 29.646
140 HE3 LYS 20 HE3 LYS 20 23.878 22.005 29.286
141 HZ1 LYS 20 HZ1 LYS 20 26.307 22.984 29.014
142 HZ2 LYS 20 HZ2 LYS 20 26.805 21.510 29.112
143 HZ3 LYS 20 HZ3 LYS 20 25.842 21.959 27.853
144 H LYS 21 H LYS 21 26.816 23.233 36.011
145 HA LYS 21 HA LYS 21 25.280 21.767 38.036
146 HB2 LYS 21 HB2 LYS 21 27.935 22.920 38.089
147 HB3 LYS 21 HB3 LYS 21 27.190 22.405 39.555
148 HG2 LYS 21 HG2 LYS 21 27.988 20.571 37.221
149 HG3 LYS 21 HG3 LYS 21 28.586 20.577 38.817
150 HD2 LYS 21 HD2 LYS 21 26.356 19.878 39.731
151 HD3 LYS 21 HD3 LYS 21 25.821 19.611 38.136
152 HE2 LYS 21 HE2 LYS 21 27.725 18.053 37.773
153 HE3 LYS 21 HE3 LYS 21 28.361 18.593 39.374
154 HZ1 LYS 21 HZ1 LYS 21 26.645 17.560 40.485
155 HZ2 LYS 21 HZ2 LYS 21 25.655 17.283 39.148
156 HZ3 LYS 21 HZ3 LYS 21 27.058 16.461 39.417
157 H GLU 22 H GLU 22 25.752 24.829 36.885
158 HA GLU 22 HA GLU 22 24.979 26.550 39.273
159 HB2 GLU 22 HB2 GLU 22 26.848 27.184 37.466
160 HB3 GLU 22 HB3 GLU 22 25.402 27.963 36.780
161 HG2 GLU 22 HG2 GLU 22 25.050 29.054 38.956
162 HG3 GLU 22 HG3 GLU 22 26.587 28.359 39.526
163 H VAL 23 H VAL 23 24.115 25.806 35.787
164 HA VAL 23 HA VAL 23 21.402 26.981 35.817
165 HB VAL 23 HB VAL 23 22.904 26.095 33.898
166 HG11 VAL 23 HG11 VAL 23 23.295 23.967 34.521
167 HG12 VAL 23 HG12 VAL 23 21.529 23.508 34.157
168 HG13 VAL 23 HG13 VAL 23 22.574 24.194 32.939
169 HG21 VAL 23 HG21 VAL 23 20.508 27.069 33.719
170 HG22 VAL 23 HG22 VAL 23 20.985 25.716 32.524
171 HG23 VAL 23 HG23 VAL 23 20.011 25.441 34.067
172 H VAL 24 H VAL 24 22.804 23.786 36.509
173 HA VAL 24 HA VAL 24 20.047 22.784 37.145
174 HB VAL 24 HB VAL 24 21.979 21.227 36.205
175 HG11 VAL 24 HG11 VAL 24 23.408 20.329 37.493
176 HG12 VAL 24 HG12 VAL 24 23.045 21.691 38.603
177 HG13 VAL 24 HG13 VAL 24 22.254 20.064 38.860
178 HG21 VAL 24 HG21 VAL 24 20.717 19.280 37.039
179 HG22 VAL 24 HG22 VAL 24 19.756 20.458 38.061
180 HG23 VAL 24 HG23 VAL 24 19.747 20.500 36.304
181 H GLU 25 H GLU 25 22.421 24.356 39.190
182 HA GLU 25 HA GLU 25 20.881 23.742 41.638
183 HB2 GLU 25 HB2 GLU 25 23.230 24.152 41.769
184 HB3 GLU 25 HB3 GLU 25 23.044 25.753 41.066
185 HG2 GLU 25 HG2 GLU 25 21.703 26.572 42.893
186 HG3 GLU 25 HG3 GLU 25 21.625 24.897 43.558
187 H GLU 26 H GLU 26 20.619 26.272 39.145
188 HA GLU 26 HA GLU 26 18.529 27.693 40.558
189 HB2 GLU 26 HB2 GLU 26 20.177 28.862 39.124
190 HB3 GLU 26 HB3 GLU 26 19.786 27.830 37.798
191 HG2 GLU 26 HG2 GLU 26 17.436 28.993 37.786
192 HG3 GLU 26 HG3 GLU 26 18.020 29.944 39.071
193 H ALA 27 H ALA 27 18.641 24.961 38.434
194 HA ALA 27 HA ALA 27 15.853 24.929 37.671
195 HB1 ALA 27 HB1 ALA 27 17.751 23.931 36.386
196 HB2 ALA 27 HB2 ALA 27 17.818 22.654 37.578
197 HB3 ALA 27 HB3 ALA 27 16.307 22.998 36.562
198 H GLU 28 H GLU 28 17.662 23.539 40.371
199 HA GLU 28 HA GLU 28 15.402 21.832 41.314
200 HB2 GLU 28 HB2 GLU 28 17.871 21.338 41.670
201 HB3 GLU 28 HB3 GLU 28 17.979 22.780 42.689
202 HG2 GLU 28 HG2 GLU 28 16.604 21.763 44.394
203 HG3 GLU 28 HG3 GLU 28 16.275 20.331 43.476
204 H ASN 29 H ASN 29 16.348 25.056 41.505
205 HA ASN 29 HA ASN 29 15.622 25.908 44.121
206 HB2 ASN 29 HB2 ASN 29 17.217 26.943 42.724
207 HB3 ASN 29 HB3 ASN 29 16.143 27.609 41.678
208 HD21 ASN 29 HD22 ASN 29 17.646 29.391 42.902
209 HD22 ASN 29 HD21 ASN 29 17.147 29.979 44.430
Start of MODEL 11
1 H1 ACE 1 HH32 ACE 1 38.976 12.809 15.639
2 H2 ACE 1 HH33 ACE 1 37.604 12.042 16.375
3 H3 ACE 1 HH31 ACE 1 37.534 12.068 14.660
4 H SER 2 H SER 2 36.227 13.717 17.380
5 HA SER 2 HA SER 2 35.198 15.465 15.306
6 HB2 SER 2 HB2 SER 2 33.919 14.324 17.809
7 HB3 SER 2 HB3 SER 2 33.081 15.534 16.886
8 HG SER 2 HG SER 2 32.608 13.395 16.264
9 H ASP 3 H ASP 3 37.102 15.725 18.152
10 HA ASP 3 HA ASP 3 35.922 17.979 19.383
11 HB2 ASP 3 HB2 ASP 3 37.384 16.183 20.271
12 HB3 ASP 3 HB3 ASP 3 38.714 17.239 19.737
13 H ALA 4 H ALA 4 37.758 18.098 16.360
14 HA ALA 4 HA ALA 4 38.539 20.876 17.071
15 HB1 ALA 4 HB1 ALA 4 40.152 19.370 15.666
16 HB2 ALA 4 HB2 ALA 4 38.855 19.418 14.410
17 HB3 ALA 4 HB3 ALA 4 39.707 20.865 14.850
18 H ALA 5 H ALA 5 36.023 19.114 15.170
19 HA ALA 5 HA ALA 5 34.836 21.509 14.115
20 HB1 ALA 5 HB1 ALA 5 32.876 20.053 13.843
21 HB2 ALA 5 HB2 ALA 5 34.335 19.154 13.379
22 HB3 ALA 5 HB3 ALA 5 33.461 18.848 14.942
23 H VAL 6 H VAL 6 34.518 19.746 17.221
24 HA VAL 6 HA VAL 6 32.664 21.722 18.464
25 HB VAL 6 HB VAL 6 34.229 19.532 19.771
26 HG11 VAL 6 HG11 VAL 6 31.238 20.230 20.216
27 HG12 VAL 6 HG12 VAL 6 32.113 19.136 21.122
28 HG13 VAL 6 HG13 VAL 6 32.644 20.794 21.323
29 HG21 VAL 6 HG21 VAL 6 32.085 18.098 19.183
30 HG22 VAL 6 HG22 VAL 6 32.011 19.251 17.736
31 HG23 VAL 6 HG23 VAL 6 33.267 18.171 18.058
32 H ASP 7 H ASP 7 35.299 22.563 17.516
33 HA ASP 7 HA ASP 7 37.075 23.792 17.866
34 HB2 ASP 7 HB2 ASP 7 34.965 25.101 17.871
35 HB3 ASP 7 HB3 ASP 7 35.258 25.320 19.599
36 H THR 8 H THR 8 37.582 21.796 19.299
37 HA THR 8 HA THR 8 38.839 20.774 20.859
38 HB THR 8 HB THR 8 40.119 23.428 21.598
39 HG1 THR 8 HG1 THR 8 40.228 23.273 19.361
40 HG21 THR 8 HG21 THR 8 41.375 20.738 21.118
41 HG22 THR 8 HG22 THR 8 42.168 21.977 21.982
42 HG23 THR 8 HG23 THR 8 40.824 21.146 22.752
43 H SER 9 H SER 9 36.579 20.668 21.727
44 HA SER 9 HA SER 9 35.751 22.219 23.920
45 HB2 SER 9 HB2 SER 9 33.965 20.800 24.352
46 HB3 SER 9 HB3 SER 9 34.103 21.145 22.707
47 HG SER 9 HG SER 9 35.233 18.999 22.649
48 H SER 10 H SER 10 37.724 19.278 23.824
49 HA SER 10 HA SER 10 37.633 18.608 26.518
50 HB2 SER 10 HB2 SER 10 40.034 18.181 24.677
51 HB3 SER 10 HB3 SER 10 39.663 17.330 26.265
52 HG SER 10 HG SER 10 38.313 17.203 23.813
53 H GLU 11 H GLU 11 39.400 21.406 25.252
54 HA GLU 11 HA GLU 11 40.879 22.034 27.692
55 HB2 GLU 11 HB2 GLU 11 39.854 23.723 25.383
56 HB3 GLU 11 HB3 GLU 11 40.874 24.261 26.596
57 HG2 GLU 11 HG2 GLU 11 42.662 22.507 25.834
58 HG3 GLU 11 HG3 GLU 11 41.650 22.232 24.408
59 H ILE 12 H ILE 12 37.698 23.047 26.437
60 HA ILE 12 HA ILE 12 37.429 24.577 28.844
61 HB ILE 12 HB ILE 12 35.252 25.308 27.867
62 HG12 ILE 12 HG12 ILE 12 35.907 23.749 25.399
63 HG13 ILE 12 HG13 ILE 12 34.953 23.074 26.656
64 HG21 ILE 12 HG21 ILE 12 36.076 26.873 26.297
65 HG22 ILE 12 HG22 ILE 12 37.299 26.596 27.653
66 HG23 ILE 12 HG23 ILE 12 37.569 26.039 26.004
67 HD11 ILE 12 HD11 ILE 12 34.304 25.489 25.115
68 HD12 ILE 12 HD12 ILE 12 33.372 24.018 25.046
69 HD13 ILE 12 HD13 ILE 12 33.425 25.036 26.575
70 H THR 13 H THR 13 36.331 21.585 28.020
71 HA THR 13 HA THR 13 33.799 21.069 28.941
72 HB THR 13 HB THR 13 34.732 19.327 28.166
73 HG1 THR 13 HG1 THR 13 34.297 17.817 29.510
74 HG21 THR 13 HG21 THR 13 36.748 18.128 29.208
75 HG22 THR 13 HG22 THR 13 37.179 19.721 28.683
76 HG23 THR 13 HG23 THR 13 36.785 19.507 30.407
77 H THR 14 H THR 14 36.418 21.526 31.486
78 HA THR 14 HA THR 14 34.842 21.000 33.697
79 HB THR 14 HB THR 14 37.068 22.874 33.269
80 HG1 THR 14 HG1 THR 14 37.741 20.817 33.250
81 HG21 THR 14 HG21 THR 14 36.301 23.926 35.086
82 HG22 THR 14 HG22 THR 14 35.332 22.609 35.584
83 HG23 THR 14 HG23 THR 14 37.016 22.552 36.047
84 H LYS 15 H LYS 15 35.291 24.176 31.758
85 HA LYS 15 HA LYS 15 33.671 25.763 33.439
86 HB2 LYS 15 HB2 LYS 15 34.425 25.874 30.519
87 HB3 LYS 15 HB3 LYS 15 33.593 27.215 31.433
88 HG2 LYS 15 HG2 LYS 15 35.715 27.628 32.601
89 HG3 LYS 15 HG3 LYS 15 36.332 26.043 31.904
90 HD2 LYS 15 HD2 LYS 15 35.912 27.271 29.562
91 HD3 LYS 15 HD3 LYS 15 35.612 28.716 30.507
92 HE2 LYS 15 HE2 LYS 15 37.685 28.645 31.661
93 HE3 LYS 15 HE3 LYS 15 38.312 27.314 30.639
94 HZ1 LYS 15 HZ1 LYS 15 37.695 29.133 28.832
95 HZ2 LYS 15 HZ2 LYS 15 37.814 30.118 30.147
96 HZ3 LYS 15 HZ3 LYS 15 39.092 29.336 29.612
97 H ASP 16 H ASP 16 33.010 24.024 30.442
98 HA ASP 16 HA ASP 16 30.196 24.533 30.449
99 HB2 ASP 16 HB2 ASP 16 31.404 23.499 28.523
100 HB3 ASP 16 HB3 ASP 16 31.616 22.064 29.528
101 H LEU 17 H LEU 17 31.965 22.044 32.481
102 HA LEU 17 HA LEU 17 29.347 21.012 33.264
103 HB2 LEU 17 HB2 LEU 17 32.161 20.357 34.159
104 HB3 LEU 17 HB3 LEU 17 30.677 19.968 35.022
105 HG LEU 17 HG LEU 17 30.967 19.313 32.129
106 HD11 LEU 17 HD11 LEU 17 31.737 17.572 34.567
107 HD12 LEU 17 HD12 LEU 17 31.590 17.049 32.869
108 HD13 LEU 17 HD13 LEU 17 32.850 18.267 33.307
109 HD21 LEU 17 HD21 LEU 17 29.224 17.486 32.910
110 HD22 LEU 17 HD22 LEU 17 29.258 18.178 34.503
111 HD23 LEU 17 HD23 LEU 17 28.558 19.078 33.140
112 H LYS 18 H LYS 18 31.244 23.636 34.375
113 HA LYS 18 HA LYS 18 29.652 23.795 36.820
114 HB2 LYS 18 HB2 LYS 18 31.784 25.575 35.765
115 HB3 LYS 18 HB3 LYS 18 30.696 26.156 36.930
116 HG2 LYS 18 HG2 LYS 18 32.320 25.484 38.144
117 HG3 LYS 18 HG3 LYS 18 30.957 24.383 38.502
118 HD2 LYS 18 HD2 LYS 18 31.877 22.536 37.398
119 HD3 LYS 18 HD3 LYS 18 33.040 23.466 36.443
120 HE2 LYS 18 HE2 LYS 18 34.133 22.188 37.942
121 HE3 LYS 18 HE3 LYS 18 34.414 23.977 38.228
122 HZ1 LYS 18 HZ1 LYS 18 34.065 22.228 40.130
123 HZ2 LYS 18 HZ2 LYS 18 33.172 23.556 40.319
124 HZ3 LYS 18 HZ3 LYS 18 32.576 22.148 39.658
125 H GLU 19 H GLU 19 29.374 24.726 33.589
126 HA GLU 19 HA GLU 19 27.278 26.706 33.824
127 HB2 GLU 19 HB2 GLU 19 28.590 25.721 31.537
128 HB3 GLU 19 HB3 GLU 19 27.367 24.481 31.706
129 HG2 GLU 19 HG2 GLU 19 25.677 26.535 31.861
130 HG3 GLU 19 HG3 GLU 19 27.051 27.440 31.360
131 H LYS 20 H LYS 20 27.559 23.257 33.290
132 HA LYS 20 HA LYS 20 24.772 22.705 33.302
133 HB2 LYS 20 HB2 LYS 20 27.122 20.974 33.601
134 HB3 LYS 20 HB3 LYS 20 25.491 20.366 33.451
135 HG2 LYS 20 HG2 LYS 20 27.159 21.753 31.259
136 HG3 LYS 20 HG3 LYS 20 26.412 20.155 31.248
137 HD2 LYS 20 HD2 LYS 20 24.331 20.853 31.284
138 HD3 LYS 20 HD3 LYS 20 24.736 22.632 31.082
139 HE2 LYS 20 HE2 LYS 20 25.646 20.486 29.237
140 HE3 LYS 20 HE3 LYS 20 24.358 21.500 28.803
141 HZ1 LYS 20 HZ1 LYS 20 26.132 23.336 29.252
142 HZ2 LYS 20 HZ2 LYS 20 27.226 22.208 29.216
143 HZ3 LYS 20 HZ3 LYS 20 26.291 22.476 27.860
144 H LYS 21 H LYS 21 26.678 23.023 36.064
145 HA LYS 21 HA LYS 21 24.836 21.675 37.958
146 HB2 LYS 21 HB2 LYS 21 27.640 22.722 38.329
147 HB3 LYS 21 HB3 LYS 21 26.735 22.021 39.581
148 HG2 LYS 21 HG2 LYS 21 26.578 19.779 38.585
149 HG3 LYS 21 HG3 LYS 21 27.486 20.286 37.235
150 HD2 LYS 21 HD2 LYS 21 29.399 20.896 38.788
151 HD3 LYS 21 HD3 LYS 21 28.451 20.305 40.099
152 HE2 LYS 21 HE2 LYS 21 28.918 18.553 37.619
153 HE3 LYS 21 HE3 LYS 21 30.142 18.755 38.869
154 HZ1 LYS 21 HZ1 LYS 21 27.373 17.815 39.347
155 HZ2 LYS 21 HZ2 LYS 21 28.597 16.766 38.971
156 HZ3 LYS 21 HZ3 LYS 21 28.650 17.635 40.348
157 H GLU 22 H GLU 22 25.441 24.751 36.622
158 HA GLU 22 HA GLU 22 24.878 26.128 39.256
159 HB2 GLU 22 HB2 GLU 22 26.919 26.900 38.479
160 HB3 GLU 22 HB3 GLU 22 26.187 27.364 36.845
161 HG2 GLU 22 HG2 GLU 22 26.110 29.396 37.910
162 HG3 GLU 22 HG3 GLU 22 24.609 28.804 38.381
163 H VAL 23 H VAL 23 24.222 25.945 35.808
164 HA VAL 23 HA VAL 23 21.671 27.184 35.485
165 HB VAL 23 HB VAL 23 23.210 26.134 33.688
166 HG11 VAL 23 HG11 VAL 23 23.286 23.859 34.672
167 HG12 VAL 23 HG12 VAL 23 21.837 23.450 33.947
168 HG13 VAL 23 HG13 VAL 23 23.178 24.007 32.911
169 HG21 VAL 23 HG21 VAL 23 21.076 27.021 33.169
170 HG22 VAL 23 HG22 VAL 23 21.442 25.576 32.152
171 HG23 VAL 23 HG23 VAL 23 20.300 25.478 33.496
172 H VAL 24 H VAL 24 22.666 24.056 36.614
173 HA VAL 24 HA VAL 24 19.892 23.234 36.943
174 HB VAL 24 HB VAL 24 22.070 21.870 36.158
175 HG11 VAL 24 HG11 VAL 24 22.731 20.107 37.483
176 HG12 VAL 24 HG12 VAL 24 22.948 21.668 38.369
177 HG13 VAL 24 HG13 VAL 24 21.588 20.559 38.740
178 HG21 VAL 24 HG21 VAL 24 19.439 20.733 37.027
179 HG22 VAL 24 HG22 VAL 24 19.894 21.362 35.541
180 HG23 VAL 24 HG23 VAL 24 20.627 19.784 36.216
181 H GLU 25 H GLU 25 22.133 24.480 39.109
182 HA GLU 25 HA GLU 25 20.770 23.581 41.626
183 HB2 GLU 25 HB2 GLU 25 23.047 24.047 41.784
184 HB3 GLU 25 HB3 GLU 25 22.909 25.725 41.301
185 HG2 GLU 25 HG2 GLU 25 21.626 26.249 43.259
186 HG3 GLU 25 HG3 GLU 25 21.410 24.532 43.666
187 H GLU 26 H GLU 26 20.707 26.274 39.384
188 HA GLU 26 HA GLU 26 18.598 27.835 40.710
189 HB2 GLU 26 HB2 GLU 26 20.037 29.313 39.831
190 HB3 GLU 26 HB3 GLU 26 20.336 28.412 38.402
191 HG2 GLU 26 HG2 GLU 26 18.254 28.979 37.395
192 HG3 GLU 26 HG3 GLU 26 17.756 29.743 39.033
193 H ALA 27 H ALA 27 18.675 25.237 38.337
194 HA ALA 27 HA ALA 27 15.771 25.354 37.957
195 HB1 ALA 27 HB1 ALA 27 17.484 24.638 36.184
196 HB2 ALA 27 HB2 ALA 27 17.758 23.186 37.248
197 HB3 ALA 27 HB3 ALA 27 16.181 23.498 36.537
198 H GLU 28 H GLU 28 17.656 23.611 40.124
199 HA GLU 28 HA GLU 28 15.237 22.187 41.069
200 HB2 GLU 28 HB2 GLU 28 18.163 21.862 42.075
201 HB3 GLU 28 HB3 GLU 28 16.850 20.995 42.607
202 HG2 GLU 28 HG2 GLU 28 17.581 20.747 39.635
203 HG3 GLU 28 HG3 GLU 28 18.369 19.785 40.989
204 H ASN 29 H ASN 29 16.741 24.938 41.892
205 HA ASN 29 HA ASN 29 15.759 25.064 44.649
206 HB2 ASN 29 HB2 ASN 29 16.613 27.205 42.592
207 HB3 ASN 29 HB3 ASN 29 15.721 27.834 43.906
208 HD21 ASN 29 HD22 ASN 29 18.847 26.540 43.191
209 HD22 ASN 29 HD21 ASN 29 19.490 27.115 44.775
Start of MODEL 12
1 H1 ACE 1 HH32 ACE 1 43.045 17.666 14.969
2 H2 ACE 1 HH33 ACE 1 42.980 19.136 14.141
3 H3 ACE 1 HH31 ACE 1 42.877 19.245 15.889
4 H SER 2 H SER 2 41.198 16.582 15.615
5 HA SER 2 HA SER 2 38.788 17.308 14.215
6 HB2 SER 2 HB2 SER 2 38.740 15.097 16.305
7 HB3 SER 2 HB3 SER 2 37.711 15.426 15.163
8 HG SER 2 HG SER 2 39.147 13.903 14.384
9 H ASP 3 H ASP 3 39.934 18.225 17.275
10 HA ASP 3 HA ASP 3 37.304 19.128 18.480
11 HB2 ASP 3 HB2 ASP 3 38.647 17.779 19.778
12 HB3 ASP 3 HB3 ASP 3 40.090 18.901 19.626
13 H ALA 4 H ALA 4 39.677 20.245 16.457
14 HA ALA 4 HA ALA 4 39.712 23.086 17.432
15 HB1 ALA 4 HB1 ALA 4 40.803 21.797 14.857
16 HB2 ALA 4 HB2 ALA 4 40.744 23.568 15.427
17 HB3 ALA 4 HB3 ALA 4 41.644 22.158 16.271
18 H ALA 5 H ALA 5 37.810 21.157 15.182
19 HA ALA 5 HA ALA 5 36.358 23.318 13.923
20 HB1 ALA 5 HB1 ALA 5 36.454 20.287 13.990
21 HB2 ALA 5 HB2 ALA 5 34.913 21.071 13.552
22 HB3 ALA 5 HB3 ALA 5 36.265 21.503 12.600
23 H VAL 6 H VAL 6 36.395 21.888 16.874
24 HA VAL 6 HA VAL 6 33.541 22.625 17.613
25 HB VAL 6 HB VAL 6 35.270 21.007 19.554
26 HG11 VAL 6 HG11 VAL 6 32.334 20.802 18.977
27 HG12 VAL 6 HG12 VAL 6 33.252 20.061 20.269
28 HG13 VAL 6 HG13 VAL 6 32.955 21.791 20.338
29 HG21 VAL 6 HG21 VAL 6 33.916 20.078 17.018
30 HG22 VAL 6 HG22 VAL 6 35.480 19.724 17.657
31 HG23 VAL 6 HG23 VAL 6 34.149 19.002 18.500
32 H ASP 7 H ASP 7 36.263 24.157 17.433
33 HA ASP 7 HA ASP 7 37.069 25.935 17.985
34 HB2 ASP 7 HB2 ASP 7 34.972 26.821 18.111
35 HB3 ASP 7 HB3 ASP 7 34.854 26.611 19.854
36 H THR 8 H THR 8 37.821 23.418 19.213
37 HA THR 8 HA THR 8 39.339 22.625 20.694
38 HB THR 8 HB THR 8 39.824 25.347 21.667
39 HG1 THR 8 HG1 THR 8 40.417 25.293 19.456
40 HG21 THR 8 HG21 THR 8 41.218 22.779 22.007
41 HG22 THR 8 HG22 THR 8 42.175 24.378 21.835
42 HG23 THR 8 HG23 THR 8 41.097 24.002 23.188
43 H SER 9 H SER 9 36.621 22.275 21.329
44 HA SER 9 HA SER 9 35.943 23.245 23.841
45 HB2 SER 9 HB2 SER 9 34.271 21.498 23.934
46 HB3 SER 9 HB3 SER 9 34.440 21.893 22.112
47 HG SER 9 HG SER 9 35.799 20.091 21.901
48 H SER 10 H SER 10 38.240 20.799 23.169
49 HA SER 10 HA SER 10 38.249 19.408 25.676
50 HB2 SER 10 HB2 SER 10 40.627 20.386 24.007
51 HB3 SER 10 HB3 SER 10 40.780 19.232 25.301
52 HG SER 10 HG SER 10 39.170 19.060 22.923
53 H GLU 11 H GLU 11 39.148 22.646 25.077
54 HA GLU 11 HA GLU 11 40.357 22.982 27.787
55 HB2 GLU 11 HB2 GLU 11 39.910 24.919 25.517
56 HB3 GLU 11 HB3 GLU 11 40.324 25.409 27.148
57 HG2 GLU 11 HG2 GLU 11 42.321 23.703 26.935
58 HG3 GLU 11 HG3 GLU 11 41.927 23.655 25.267
59 H ILE 12 H ILE 12 37.355 23.823 26.276
60 HA ILE 12 HA ILE 12 36.409 25.238 28.761
61 HB ILE 12 HB ILE 12 34.607 26.048 27.631
62 HG12 ILE 12 HG12 ILE 12 35.186 24.943 25.014
63 HG13 ILE 12 HG13 ILE 12 34.612 23.764 26.149
64 HG21 ILE 12 HG21 ILE 12 37.327 26.335 26.484
65 HG22 ILE 12 HG22 ILE 12 35.994 27.282 25.647
66 HG23 ILE 12 HG23 ILE 12 36.511 27.493 27.360
67 HD11 ILE 12 HD11 ILE 12 32.675 25.130 26.577
68 HD12 ILE 12 HD12 ILE 12 33.440 26.486 25.703
69 HD13 ILE 12 HD13 ILE 12 32.823 24.949 24.832
70 H THR 13 H THR 13 35.859 22.118 27.746
71 HA THR 13 HA THR 13 33.404 21.435 28.677
72 HB THR 13 HB THR 13 34.671 19.926 27.529
73 HG1 THR 13 HG1 THR 13 33.219 19.033 29.022
74 HG21 THR 13 HG21 THR 13 36.937 20.641 29.026
75 HG22 THR 13 HG22 THR 13 36.468 19.115 29.689
76 HG23 THR 13 HG23 THR 13 36.687 19.156 27.960
77 H THR 14 H THR 14 36.340 21.772 30.942
78 HA THR 14 HA THR 14 34.607 21.305 33.220
79 HB THR 14 HB THR 14 37.258 22.999 33.228
80 HG1 THR 14 HG1 THR 14 37.869 21.082 32.491
81 HG21 THR 14 HG21 THR 14 37.317 21.915 35.545
82 HG22 THR 14 HG22 THR 14 36.265 23.310 35.250
83 HG23 THR 14 HG23 THR 14 35.570 21.713 35.299
84 H LYS 15 H LYS 15 35.372 24.512 31.657
85 HA LYS 15 HA LYS 15 33.836 26.101 33.414
86 HB2 LYS 15 HB2 LYS 15 34.009 26.454 30.408
87 HB3 LYS 15 HB3 LYS 15 33.884 27.741 31.628
88 HG2 LYS 15 HG2 LYS 15 36.119 27.427 32.449
89 HG3 LYS 15 HG3 LYS 15 36.474 26.223 31.194
90 HD2 LYS 15 HD2 LYS 15 35.977 27.916 29.383
91 HD3 LYS 15 HD3 LYS 15 35.393 28.953 30.549
92 HE2 LYS 15 HE2 LYS 15 38.229 28.275 31.185
93 HE3 LYS 15 HE3 LYS 15 38.112 28.572 29.504
94 HZ1 LYS 15 HZ1 LYS 15 37.498 30.639 29.814
95 HZ2 LYS 15 HZ2 LYS 15 36.970 30.493 31.369
96 HZ3 LYS 15 HZ3 LYS 15 38.613 30.411 31.008
97 H ASP 16 H ASP 16 32.910 24.178 30.632
98 HA ASP 16 HA ASP 16 30.130 24.810 30.516
99 HB2 ASP 16 HB2 ASP 16 31.367 23.728 28.598
100 HB3 ASP 16 HB3 ASP 16 31.518 22.321 29.595
101 H LEU 17 H LEU 17 31.968 22.472 32.487
102 HA LEU 17 HA LEU 17 29.405 21.333 33.237
103 HB2 LEU 17 HB2 LEU 17 32.245 20.368 33.340
104 HB3 LEU 17 HB3 LEU 17 31.087 19.560 34.409
105 HG LEU 17 HG LEU 17 30.678 20.007 31.434
106 HD11 LEU 17 HD11 LEU 17 32.708 18.656 31.714
107 HD12 LEU 17 HD12 LEU 17 31.839 17.482 32.835
108 HD13 LEU 17 HD13 LEU 17 31.355 17.657 31.192
109 HD21 LEU 17 HD21 LEU 17 29.250 17.876 31.849
110 HD22 LEU 17 HD22 LEU 17 29.236 18.415 33.555
111 HD23 LEU 17 HD23 LEU 17 28.653 19.502 32.288
112 H LYS 18 H LYS 18 31.403 23.641 34.574
113 HA LYS 18 HA LYS 18 29.936 23.694 37.153
114 HB2 LYS 18 HB2 LYS 18 31.924 25.686 35.819
115 HB3 LYS 18 HB3 LYS 18 30.883 26.160 37.081
116 HG2 LYS 18 HG2 LYS 18 32.968 25.627 37.933
117 HG3 LYS 18 HG3 LYS 18 31.924 24.264 38.539
118 HD2 LYS 18 HD2 LYS 18 33.036 22.941 36.521
119 HD3 LYS 18 HD3 LYS 18 33.999 24.376 36.226
120 HE2 LYS 18 HE2 LYS 18 34.052 22.797 38.875
121 HE3 LYS 18 HE3 LYS 18 35.108 22.808 37.560
122 HZ1 LYS 18 HZ1 LYS 18 36.117 24.356 39.166
123 HZ2 LYS 18 HZ2 LYS 18 35.507 25.197 37.890
124 HZ3 LYS 18 HZ3 LYS 18 34.718 25.154 39.313
125 H GLU 19 H GLU 19 29.471 24.790 33.808
126 HA GLU 19 HA GLU 19 27.226 26.543 34.660
127 HB2 GLU 19 HB2 GLU 19 28.548 26.669 32.401
128 HB3 GLU 19 HB3 GLU 19 27.603 25.183 32.009
129 HG2 GLU 19 HG2 GLU 19 25.541 26.537 32.408
130 HG3 GLU 19 HG3 GLU 19 26.525 27.796 32.995
131 H LYS 20 H LYS 20 27.488 23.252 33.468
132 HA LYS 20 HA LYS 20 24.743 22.789 33.541
133 HB2 LYS 20 HB2 LYS 20 27.177 21.069 33.577
134 HB3 LYS 20 HB3 LYS 20 25.681 20.290 33.115
135 HG2 LYS 20 HG2 LYS 20 26.733 22.528 31.465
136 HG3 LYS 20 HG3 LYS 20 27.060 20.767 31.252
137 HD2 LYS 20 HD2 LYS 20 24.474 20.702 31.269
138 HD3 LYS 20 HD3 LYS 20 24.631 22.491 31.159
139 HE2 LYS 20 HE2 LYS 20 25.640 20.528 29.083
140 HE3 LYS 20 HE3 LYS 20 24.218 21.483 28.734
141 HZ1 LYS 20 HZ1 LYS 20 25.991 22.231 27.538
142 HZ2 LYS 20 HZ2 LYS 20 25.696 23.404 28.520
143 HZ3 LYS 20 HZ3 LYS 20 26.951 22.357 28.820
144 H LYS 21 H LYS 21 26.920 22.877 35.915
145 HA LYS 21 HA LYS 21 25.453 21.307 38.017
146 HB2 LYS 21 HB2 LYS 21 28.303 22.302 37.949
147 HB3 LYS 21 HB3 LYS 21 27.523 21.494 39.372
148 HG2 LYS 21 HG2 LYS 21 26.989 19.476 37.958
149 HG3 LYS 21 HG3 LYS 21 27.810 20.243 36.642
150 HD2 LYS 21 HD2 LYS 21 29.909 20.322 38.140
151 HD3 LYS 21 HD3 LYS 21 28.849 19.376 39.299
152 HE2 LYS 21 HE2 LYS 21 29.610 18.498 36.474
153 HE3 LYS 21 HE3 LYS 21 30.377 17.914 37.996
154 HZ1 LYS 21 HZ1 LYS 21 27.551 17.606 37.249
155 HZ2 LYS 21 HZ2 LYS 21 28.627 16.381 37.306
156 HZ3 LYS 21 HZ3 LYS 21 28.120 17.163 38.686
157 H GLU 22 H GLU 22 25.530 24.352 36.827
158 HA GLU 22 HA GLU 22 24.891 25.720 39.366
159 HB2 GLU 22 HB2 GLU 22 26.675 27.042 38.490
160 HB3 GLU 22 HB3 GLU 22 26.106 27.096 36.848
161 HG2 GLU 22 HG2 GLU 22 24.321 28.567 37.406
162 HG3 GLU 22 HG3 GLU 22 24.438 28.020 39.100
163 H VAL 23 H VAL 23 24.004 25.591 35.947
164 HA VAL 23 HA VAL 23 21.471 26.652 36.160
165 HB VAL 23 HB VAL 23 22.985 25.992 34.056
166 HG11 VAL 23 HG11 VAL 23 22.300 24.176 32.845
167 HG12 VAL 23 HG12 VAL 23 23.130 23.520 34.287
168 HG13 VAL 23 HG13 VAL 23 21.320 23.515 33.962
169 HG21 VAL 23 HG21 VAL 23 20.831 27.179 33.998
170 HG22 VAL 23 HG22 VAL 23 20.927 26.126 32.639
171 HG23 VAL 23 HG23 VAL 23 19.878 25.685 34.108
172 H VAL 24 H VAL 24 22.739 23.354 36.568
173 HA VAL 24 HA VAL 24 20.021 22.265 36.817
174 HB VAL 24 HB VAL 24 22.224 21.248 36.157
175 HG11 VAL 24 HG11 VAL 24 23.406 19.872 37.651
176 HG12 VAL 24 HG12 VAL 24 23.173 21.360 38.488
177 HG13 VAL 24 HG13 VAL 24 22.112 19.967 38.892
178 HG21 VAL 24 HG21 VAL 24 21.258 19.016 36.339
179 HG22 VAL 24 HG22 VAL 24 19.936 19.673 37.377
180 HG23 VAL 24 HG23 VAL 24 20.201 20.266 35.700
181 H GLU 25 H GLU 25 22.146 23.589 39.048
182 HA GLU 25 HA GLU 25 20.427 22.856 41.167
183 HB2 GLU 25 HB2 GLU 25 22.950 24.538 41.366
184 HB3 GLU 25 HB3 GLU 25 21.960 24.357 42.772
185 HG2 GLU 25 HG2 GLU 25 23.160 22.072 41.233
186 HG3 GLU 25 HG3 GLU 25 23.934 22.729 42.687
187 H GLU 26 H GLU 26 20.644 25.494 38.947
188 HA GLU 26 HA GLU 26 19.045 27.430 40.390
189 HB2 GLU 26 HB2 GLU 26 20.094 27.318 37.685
190 HB3 GLU 26 HB3 GLU 26 18.882 28.571 38.183
191 HG2 GLU 26 HG2 GLU 26 21.538 28.149 39.522
192 HG3 GLU 26 HG3 GLU 26 21.156 29.391 38.409
193 H ALA 27 H ALA 27 18.524 24.825 38.042
194 HA ALA 27 HA ALA 27 15.810 25.258 37.545
195 HB1 ALA 27 HB1 ALA 27 17.224 22.589 37.796
196 HB2 ALA 27 HB2 ALA 27 15.820 22.862 36.835
197 HB3 ALA 27 HB3 ALA 27 17.324 23.553 36.243
198 H GLU 28 H GLU 28 17.187 23.569 40.264
199 HA GLU 28 HA GLU 28 14.531 23.099 41.517
200 HB2 GLU 28 HB2 GLU 28 17.369 22.527 42.212
201 HB3 GLU 28 HB3 GLU 28 16.027 22.106 43.335
202 HG2 GLU 28 HG2 GLU 28 16.407 20.928 40.623
203 HG3 GLU 28 HG3 GLU 28 16.375 20.190 42.220
204 H ASN 29 H ASN 29 16.471 26.046 41.434
205 HA ASN 29 HA ASN 29 16.133 26.900 44.152
206 HB2 ASN 29 HB2 ASN 29 17.829 27.850 42.510
207 HB3 ASN 29 HB3 ASN 29 16.433 28.462 41.504
208 HD21 ASN 29 HD22 ASN 29 18.172 30.299 41.924
209 HD22 ASN 29 HD21 ASN 29 17.835 31.297 43.282
Start of MODEL 13
1 H1 ACE 1 HH32 ACE 1 36.990 14.956 13.445
2 H2 ACE 1 HH33 ACE 1 37.321 14.667 15.205
3 H3 ACE 1 HH31 ACE 1 36.633 13.415 14.247
4 H SER 2 H SER 2 34.673 13.469 15.702
5 HA SER 2 HA SER 2 32.549 15.245 15.262
6 HB2 SER 2 HB2 SER 2 33.170 13.506 17.622
7 HB3 SER 2 HB3 SER 2 31.500 14.099 17.074
8 HG SER 2 HG SER 2 31.942 12.120 16.348
9 H ASP 3 H ASP 3 34.750 15.220 18.052
10 HA ASP 3 HA ASP 3 33.998 17.772 19.077
11 HB2 ASP 3 HB2 ASP 3 35.013 15.689 20.373
12 HB3 ASP 3 HB3 ASP 3 36.544 16.415 19.964
13 H ALA 4 H ALA 4 36.661 16.771 16.950
14 HA ALA 4 HA ALA 4 37.809 19.547 16.954
15 HB1 ALA 4 HB1 ALA 4 39.035 17.467 15.929
16 HB2 ALA 4 HB2 ALA 4 37.694 17.385 14.794
17 HB3 ALA 4 HB3 ALA 4 38.990 18.821 14.881
18 H ALA 5 H ALA 5 35.066 18.272 15.194
19 HA ALA 5 HA ALA 5 34.596 20.753 13.698
20 HB1 ALA 5 HB1 ALA 5 33.433 18.709 12.960
21 HB2 ALA 5 HB2 ALA 5 32.660 18.576 14.619
22 HB3 ALA 5 HB3 ALA 5 32.250 19.867 13.505
23 H VAL 6 H VAL 6 34.365 20.096 17.145
24 HA VAL 6 HA VAL 6 32.859 22.579 17.503
25 HB VAL 6 HB VAL 6 33.525 20.748 19.755
26 HG11 VAL 6 HG11 VAL 6 31.175 22.698 19.424
27 HG12 VAL 6 HG12 VAL 6 31.586 21.728 20.839
28 HG13 VAL 6 HG13 VAL 6 32.627 23.048 20.360
29 HG21 VAL 6 HG21 VAL 6 31.166 20.591 17.873
30 HG22 VAL 6 HG22 VAL 6 32.388 19.308 18.157
31 HG23 VAL 6 HG23 VAL 6 31.216 19.661 19.382
32 H ASP 7 H ASP 7 35.932 22.065 16.834
33 HA ASP 7 HA ASP 7 37.933 22.564 17.284
34 HB2 ASP 7 HB2 ASP 7 36.982 25.011 17.152
35 HB3 ASP 7 HB3 ASP 7 36.962 24.959 18.939
36 H THR 8 H THR 8 37.138 20.783 18.841
37 HA THR 8 HA THR 8 37.381 19.481 20.609
38 HB THR 8 HB THR 8 40.064 20.928 20.922
39 HG1 THR 8 HG1 THR 8 40.224 20.204 19.010
40 HG21 THR 8 HG21 THR 8 39.226 18.208 21.924
41 HG22 THR 8 HG22 THR 8 40.914 18.758 21.778
42 HG23 THR 8 HG23 THR 8 39.793 19.553 22.919
43 H SER 9 H SER 9 35.609 20.186 21.854
44 HA SER 9 HA SER 9 35.638 22.284 23.946
45 HB2 SER 9 HB2 SER 9 33.381 21.504 24.247
46 HB3 SER 9 HB3 SER 9 33.723 21.260 22.487
47 HG SER 9 HG SER 9 33.925 19.011 22.825
48 H SER 10 H SER 10 36.542 18.886 23.762
49 HA SER 10 HA SER 10 36.453 17.935 26.358
50 HB2 SER 10 HB2 SER 10 38.629 17.672 24.314
51 HB3 SER 10 HB3 SER 10 38.418 16.525 25.698
52 HG SER 10 HG SER 10 36.655 16.758 23.460
53 H GLU 11 H GLU 11 38.372 20.664 25.320
54 HA GLU 11 HA GLU 11 40.311 20.311 27.621
55 HB2 GLU 11 HB2 GLU 11 40.471 22.027 25.222
56 HB3 GLU 11 HB3 GLU 11 41.469 22.451 26.636
57 HG2 GLU 11 HG2 GLU 11 42.423 19.934 26.417
58 HG3 GLU 11 HG3 GLU 11 41.700 20.086 24.817
59 H ILE 12 H ILE 12 37.758 22.436 26.540
60 HA ILE 12 HA ILE 12 37.986 24.180 28.919
61 HB ILE 12 HB ILE 12 36.112 25.515 27.828
62 HG12 ILE 12 HG12 ILE 12 36.742 23.994 25.356
63 HG13 ILE 12 HG13 ILE 12 35.500 23.587 26.466
64 HG21 ILE 12 HG21 ILE 12 38.373 26.394 27.764
65 HG22 ILE 12 HG22 ILE 12 38.806 25.069 26.614
66 HG23 ILE 12 HG23 ILE 12 37.679 26.328 26.051
67 HD11 ILE 12 HD11 ILE 12 35.487 26.244 25.106
68 HD12 ILE 12 HD12 ILE 12 34.374 24.835 24.716
69 HD13 ILE 12 HD13 ILE 12 34.350 25.525 26.231
70 H THR 13 H THR 13 35.763 21.734 27.749
71 HA THR 13 HA THR 13 33.343 21.760 28.809
72 HB THR 13 HB THR 13 34.293 19.750 27.733
73 HG1 THR 13 HG1 THR 13 32.647 19.010 29.203
74 HG21 THR 13 HG21 THR 13 36.096 19.287 30.160
75 HG22 THR 13 HG22 THR 13 35.946 18.279 28.803
76 HG23 THR 13 HG23 THR 13 36.575 19.928 28.510
77 H THR 14 H THR 14 36.063 21.242 31.375
78 HA THR 14 HA THR 14 34.071 20.699 33.486
79 HB THR 14 HB THR 14 36.657 22.127 33.972
80 HG1 THR 14 HG1 THR 14 37.215 20.030 32.855
81 HG21 THR 14 HG21 THR 14 35.177 21.862 35.699
82 HG22 THR 14 HG22 THR 14 34.824 20.155 35.390
83 HG23 THR 14 HG23 THR 14 36.368 20.739 36.147
84 H LYS 15 H LYS 15 35.402 23.700 32.163
85 HA LYS 15 HA LYS 15 33.919 25.558 33.838
86 HB2 LYS 15 HB2 LYS 15 34.673 25.991 30.976
87 HB3 LYS 15 HB3 LYS 15 34.337 27.185 32.308
88 HG2 LYS 15 HG2 LYS 15 36.497 26.742 33.428
89 HG3 LYS 15 HG3 LYS 15 36.741 25.358 32.249
90 HD2 LYS 15 HD2 LYS 15 38.171 27.285 31.691
91 HD3 LYS 15 HD3 LYS 15 37.020 26.726 30.481
92 HE2 LYS 15 HE2 LYS 15 35.559 28.752 31.168
93 HE3 LYS 15 HE3 LYS 15 36.859 29.221 32.219
94 HZ1 LYS 15 HZ1 LYS 15 38.366 29.418 30.377
95 HZ2 LYS 15 HZ2 LYS 15 37.280 28.765 29.345
96 HZ3 LYS 15 HZ3 LYS 15 37.040 30.215 29.989
97 H ASP 16 H ASP 16 33.040 23.951 30.748
98 HA ASP 16 HA ASP 16 30.564 25.125 30.593
99 HB2 ASP 16 HB2 ASP 16 31.912 24.201 28.683
100 HB3 ASP 16 HB3 ASP 16 31.503 22.630 29.155
101 H LEU 17 H LEU 17 31.683 22.295 32.442
102 HA LEU 17 HA LEU 17 28.964 21.510 33.057
103 HB2 LEU 17 HB2 LEU 17 31.709 20.376 33.976
104 HB3 LEU 17 HB3 LEU 17 30.229 19.714 34.500
105 HG LEU 17 HG LEU 17 30.888 20.025 31.555
106 HD11 LEU 17 HD11 LEU 17 32.749 18.690 32.475
107 HD12 LEU 17 HD12 LEU 17 31.526 17.706 33.352
108 HD13 LEU 17 HD13 LEU 17 31.607 17.691 31.581
109 HD21 LEU 17 HD21 LEU 17 29.165 18.052 31.390
110 HD22 LEU 17 HD22 LEU 17 28.890 18.140 33.066
111 HD23 LEU 17 HD23 LEU 17 28.484 19.571 32.064
112 H LYS 18 H LYS 18 31.283 23.447 34.509
113 HA LYS 18 HA LYS 18 29.737 23.819 37.078
114 HB2 LYS 18 HB2 LYS 18 32.057 25.234 35.677
115 HB3 LYS 18 HB3 LYS 18 31.082 26.157 36.779
116 HG2 LYS 18 HG2 LYS 18 32.782 25.339 38.104
117 HG3 LYS 18 HG3 LYS 18 31.461 24.193 38.477
118 HD2 LYS 18 HD2 LYS 18 32.634 22.503 36.980
119 HD3 LYS 18 HD3 LYS 18 33.743 23.801 36.538
120 HE2 LYS 18 HE2 LYS 18 33.273 22.785 39.320
121 HE3 LYS 18 HE3 LYS 18 34.448 22.079 38.273
122 HZ1 LYS 18 HZ1 LYS 18 35.629 23.589 39.484
123 HZ2 LYS 18 HZ2 LYS 18 35.591 24.347 38.122
124 HZ3 LYS 18 HZ3 LYS 18 34.477 24.885 39.245
125 H GLU 19 H GLU 19 29.668 25.032 33.705
126 HA GLU 19 HA GLU 19 27.451 26.814 34.439
127 HB2 GLU 19 HB2 GLU 19 28.849 26.267 31.986
128 HB3 GLU 19 HB3 GLU 19 27.415 25.485 31.733
129 HG2 GLU 19 HG2 GLU 19 26.033 27.406 32.572
130 HG3 GLU 19 HG3 GLU 19 27.538 28.369 32.817
131 H LYS 20 H LYS 20 27.532 23.651 33.081
132 HA LYS 20 HA LYS 20 24.708 23.022 33.197
133 HB2 LYS 20 HB2 LYS 20 27.036 21.225 32.857
134 HB3 LYS 20 HB3 LYS 20 25.470 20.613 33.037
135 HG2 LYS 20 HG2 LYS 20 26.289 22.643 30.820
136 HG3 LYS 20 HG3 LYS 20 25.978 20.916 30.658
137 HD2 LYS 20 HD2 LYS 20 23.549 21.427 31.422
138 HD3 LYS 20 HD3 LYS 20 24.004 23.143 31.136
139 HE2 LYS 20 HE2 LYS 20 23.906 20.750 29.264
140 HE3 LYS 20 HE3 LYS 20 22.915 22.164 29.125
141 HZ1 LYS 20 HZ1 LYS 20 24.882 23.543 28.864
142 HZ2 LYS 20 HZ2 LYS 20 25.802 22.239 28.458
143 HZ3 LYS 20 HZ3 LYS 20 24.442 22.730 27.629
144 H LYS 21 H LYS 21 26.810 23.023 35.795
145 HA LYS 21 HA LYS 21 25.110 21.735 37.844
146 HB2 LYS 21 HB2 LYS 21 27.895 23.134 37.919
147 HB3 LYS 21 HB3 LYS 21 27.045 22.783 39.356
148 HG2 LYS 21 HG2 LYS 21 28.422 20.806 37.400
149 HG3 LYS 21 HG3 LYS 21 28.715 21.116 38.954
150 HD2 LYS 21 HD2 LYS 21 26.560 20.248 39.865
151 HD3 LYS 21 HD3 LYS 21 26.048 19.901 38.259
152 HE2 LYS 21 HE2 LYS 21 27.875 18.144 37.949
153 HE3 LYS 21 HE3 LYS 21 28.727 18.854 39.321
154 HZ1 LYS 21 HZ1 LYS 21 27.326 17.802 40.732
155 HZ2 LYS 21 HZ2 LYS 21 26.090 17.599 39.665
156 HZ3 LYS 21 HZ3 LYS 21 27.459 16.692 39.547
157 H GLU 22 H GLU 22 25.768 24.911 36.661
158 HA GLU 22 HA GLU 22 24.694 26.309 39.120
159 HB2 GLU 22 HB2 GLU 22 26.769 27.151 38.207
160 HB3 GLU 22 HB3 GLU 22 26.079 27.415 36.696
161 HG2 GLU 22 HG2 GLU 22 24.348 28.924 37.804
162 HG3 GLU 22 HG3 GLU 22 25.094 28.759 39.320
163 H VAL 23 H VAL 23 23.981 25.892 35.755
164 HA VAL 23 HA VAL 23 21.317 27.024 35.824
165 HB VAL 23 HB VAL 23 22.887 26.247 33.794
166 HG11 VAL 23 HG11 VAL 23 23.295 24.060 34.286
167 HG12 VAL 23 HG12 VAL 23 21.652 23.614 33.963
168 HG13 VAL 23 HG13 VAL 23 22.693 24.199 32.717
169 HG21 VAL 23 HG21 VAL 23 20.540 27.318 33.620
170 HG22 VAL 23 HG22 VAL 23 20.915 26.103 32.429
171 HG23 VAL 23 HG23 VAL 23 19.937 25.535 33.801
172 H VAL 24 H VAL 24 22.848 23.779 36.717
173 HA VAL 24 HA VAL 24 20.090 22.727 37.190
174 HB VAL 24 HB VAL 24 22.085 21.321 36.216
175 HG11 VAL 24 HG11 VAL 24 22.511 19.581 38.147
176 HG12 VAL 24 HG12 VAL 24 23.321 21.084 38.513
177 HG13 VAL 24 HG13 VAL 24 21.704 20.756 39.201
178 HG21 VAL 24 HG21 VAL 24 20.684 19.386 36.974
179 HG22 VAL 24 HG22 VAL 24 19.705 20.618 37.805
180 HG23 VAL 24 HG23 VAL 24 19.878 20.561 36.022
181 H GLU 25 H GLU 25 22.537 24.295 39.247
182 HA GLU 25 HA GLU 25 20.970 23.692 41.490
183 HB2 GLU 25 HB2 GLU 25 23.331 23.921 41.621
184 HB3 GLU 25 HB3 GLU 25 23.406 25.619 41.124
185 HG2 GLU 25 HG2 GLU 25 22.082 26.165 43.122
186 HG3 GLU 25 HG3 GLU 25 22.114 24.442 43.586
187 H GLU 26 H GLU 26 20.708 26.059 39.064
188 HA GLU 26 HA GLU 26 18.783 27.594 40.593
189 HB2 GLU 26 HB2 GLU 26 20.256 28.400 38.742
190 HB3 GLU 26 HB3 GLU 26 19.513 27.439 37.613
191 HG2 GLU 26 HG2 GLU 26 17.388 28.438 37.700
192 HG3 GLU 26 HG3 GLU 26 17.788 29.206 39.310
193 H ALA 27 H ALA 27 18.733 24.900 38.227
194 HA ALA 27 HA ALA 27 15.970 24.654 37.670
195 HB1 ALA 27 HB1 ALA 27 17.897 23.561 36.483
196 HB2 ALA 27 HB2 ALA 27 17.793 22.399 37.815
197 HB3 ALA 27 HB3 ALA 27 16.467 22.469 36.649
198 H GLU 28 H GLU 28 17.764 23.415 40.441
199 HA GLU 28 HA GLU 28 15.747 21.931 41.863
200 HB2 GLU 28 HB2 GLU 28 18.192 21.458 42.075
201 HB3 GLU 28 HB3 GLU 28 18.371 23.104 42.680
202 HG2 GLU 28 HG2 GLU 28 17.280 22.377 44.756
203 HG3 GLU 28 HG3 GLU 28 16.686 20.874 43.851
204 H ASN 29 H ASN 29 16.389 25.271 41.472
205 HA ASN 29 HA ASN 29 15.121 26.037 44.040
206 HB2 ASN 29 HB2 ASN 29 17.323 26.962 43.414
207 HB3 ASN 29 HB3 ASN 29 16.677 27.722 41.969
208 HD21 ASN 29 HD22 ASN 29 15.095 29.344 42.391
209 HD22 ASN 29 HD21 ASN 29 14.872 30.244 43.910
Start of MODEL 14
1 H1 ACE 1 HH32 ACE 1 38.332 14.600 14.588
2 H2 ACE 1 HH33 ACE 1 37.686 13.945 16.000
3 H3 ACE 1 HH31 ACE 1 37.118 13.387 14.363
4 H SER 2 H SER 2 34.903 13.976 15.767
5 HA SER 2 HA SER 2 33.984 16.346 14.331
6 HB2 SER 2 HB2 SER 2 31.814 15.681 15.332
7 HB3 SER 2 HB3 SER 2 32.575 14.229 14.663
8 HG SER 2 HG SER 2 31.742 14.127 16.968
9 H ASP 3 H ASP 3 35.337 15.915 17.478
10 HA ASP 3 HA ASP 3 34.325 18.456 18.514
11 HB2 ASP 3 HB2 ASP 3 34.551 16.551 19.864
12 HB3 ASP 3 HB3 ASP 3 36.400 16.671 19.659
13 H ALA 4 H ALA 4 36.662 17.825 16.119
14 HA ALA 4 HA ALA 4 38.413 19.837 16.930
15 HB1 ALA 4 HB1 ALA 4 39.145 17.874 15.229
16 HB2 ALA 4 HB2 ALA 4 37.998 18.494 14.159
17 HB3 ALA 4 HB3 ALA 4 39.469 19.398 14.547
18 H ALA 5 H ALA 5 35.357 19.758 15.057
19 HA ALA 5 HA ALA 5 35.763 22.394 13.857
20 HB1 ALA 5 HB1 ALA 5 33.487 22.476 13.311
21 HB2 ALA 5 HB2 ALA 5 34.243 20.936 12.924
22 HB3 ALA 5 HB3 ALA 5 33.233 20.901 14.289
23 H VAL 6 H VAL 6 35.309 21.458 17.032
24 HA VAL 6 HA VAL 6 33.785 23.851 17.987
25 HB VAL 6 HB VAL 6 33.965 21.178 19.424
26 HG11 VAL 6 HG11 VAL 6 31.662 23.095 19.566
27 HG12 VAL 6 HG12 VAL 6 32.290 21.988 20.770
28 HG13 VAL 6 HG13 VAL 6 33.212 23.507 20.443
29 HG21 VAL 6 HG21 VAL 6 32.004 22.243 17.365
30 HG22 VAL 6 HG22 VAL 6 32.791 20.553 17.608
31 HG23 VAL 6 HG23 VAL 6 31.412 21.033 18.489
32 H ASP 7 H ASP 7 36.701 23.218 17.456
33 HA ASP 7 HA ASP 7 38.780 23.984 18.183
34 HB2 ASP 7 HB2 ASP 7 37.461 26.035 18.480
35 HB3 ASP 7 HB3 ASP 7 37.434 25.869 20.209
36 H THR 8 H THR 8 37.390 21.522 19.366
37 HA THR 8 HA THR 8 37.679 19.852 20.782
38 HB THR 8 HB THR 8 40.379 20.919 21.704
39 HG1 THR 8 HG1 THR 8 39.892 20.302 19.560
40 HG21 THR 8 HG21 THR 8 39.368 19.165 23.376
41 HG22 THR 8 HG22 THR 8 38.945 18.117 21.930
42 HG23 THR 8 HG23 THR 8 40.566 18.476 22.420
43 H SER 9 H SER 9 35.785 20.315 21.839
44 HA SER 9 HA SER 9 35.766 22.209 24.157
45 HB2 SER 9 HB2 SER 9 33.464 21.373 24.521
46 HB3 SER 9 HB3 SER 9 33.654 21.955 22.871
47 HG SER 9 HG SER 9 33.916 19.620 22.298
48 H SER 10 H SER 10 36.525 18.926 23.411
49 HA SER 10 HA SER 10 36.231 17.550 25.967
50 HB2 SER 10 HB2 SER 10 38.404 16.995 24.019
51 HB3 SER 10 HB3 SER 10 37.493 15.932 25.093
52 HG SER 10 HG SER 10 36.446 17.221 22.846
53 H GLU 11 H GLU 11 38.564 20.044 25.031
54 HA GLU 11 HA GLU 11 40.338 19.416 27.333
55 HB2 GLU 11 HB2 GLU 11 40.234 21.849 25.737
56 HB3 GLU 11 HB3 GLU 11 41.303 21.435 27.096
57 HG2 GLU 11 HG2 GLU 11 42.187 19.432 25.985
58 HG3 GLU 11 HG3 GLU 11 41.111 19.584 24.661
59 H ILE 12 H ILE 12 38.159 22.021 26.515
60 HA ILE 12 HA ILE 12 38.408 23.226 29.034
61 HB ILE 12 HB ILE 12 36.957 25.121 28.109
62 HG12 ILE 12 HG12 ILE 12 36.550 24.298 25.447
63 HG13 ILE 12 HG13 ILE 12 36.011 22.942 26.416
64 HG21 ILE 12 HG21 ILE 12 39.466 24.870 27.611
65 HG22 ILE 12 HG22 ILE 12 38.924 24.114 26.133
66 HG23 ILE 12 HG23 ILE 12 38.440 25.773 26.364
67 HD11 ILE 12 HD11 ILE 12 34.581 24.462 27.722
68 HD12 ILE 12 HD12 ILE 12 34.925 25.806 26.517
69 HD13 ILE 12 HD13 ILE 12 34.072 24.363 26.169
70 H THR 13 H THR 13 36.233 21.002 27.991
71 HA THR 13 HA THR 13 33.714 21.299 28.830
72 HB THR 13 HB THR 13 34.220 19.382 27.829
73 HG1 THR 13 HG1 THR 13 33.112 17.873 28.853
74 HG21 THR 13 HG21 THR 13 35.534 17.601 28.713
75 HG22 THR 13 HG22 THR 13 36.424 19.046 28.380
76 HG23 THR 13 HG23 THR 13 36.025 18.663 30.087
77 H THR 14 H THR 14 36.086 20.603 31.532
78 HA THR 14 HA THR 14 34.135 20.693 33.594
79 HB THR 14 HB THR 14 36.596 22.020 34.419
80 HG1 THR 14 HG1 THR 14 37.248 20.293 32.999
81 HG21 THR 14 HG21 THR 14 35.041 19.564 35.270
82 HG22 THR 14 HG22 THR 14 36.254 20.283 36.246
83 HG23 THR 14 HG23 THR 14 34.752 21.173 35.957
84 H LYS 15 H LYS 15 35.477 23.505 32.030
85 HA LYS 15 HA LYS 15 34.128 25.556 33.653
86 HB2 LYS 15 HB2 LYS 15 35.337 25.819 30.868
87 HB3 LYS 15 HB3 LYS 15 34.652 27.088 32.021
88 HG2 LYS 15 HG2 LYS 15 36.526 26.811 33.414
89 HG3 LYS 15 HG3 LYS 15 36.859 25.189 32.907
90 HD2 LYS 15 HD2 LYS 15 37.692 26.063 30.686
91 HD3 LYS 15 HD3 LYS 15 37.380 27.689 31.297
92 HE2 LYS 15 HE2 LYS 15 38.767 27.188 33.280
93 HE3 LYS 15 HE3 LYS 15 39.302 25.743 32.584
94 HZ1 LYS 15 HZ1 LYS 15 40.049 28.455 31.548
95 HZ2 LYS 15 HZ2 LYS 15 40.916 27.124 32.054
96 HZ3 LYS 15 HZ3 LYS 15 40.235 27.079 30.665
97 H ASP 16 H ASP 16 33.254 23.795 30.635
98 HA ASP 16 HA ASP 16 30.594 24.989 30.336
99 HB2 ASP 16 HB2 ASP 16 31.821 23.633 28.547
100 HB3 ASP 16 HB3 ASP 16 31.609 22.215 29.401
101 H LEU 17 H LEU 17 31.852 22.428 32.428
102 HA LEU 17 HA LEU 17 29.361 21.665 33.152
103 HB2 LEU 17 HB2 LEU 17 32.024 20.811 33.926
104 HB3 LEU 17 HB3 LEU 17 30.684 20.629 35.224
105 HG LEU 17 HG LEU 17 30.571 19.662 32.379
106 HD11 LEU 17 HD11 LEU 17 31.612 17.954 34.603
107 HD12 LEU 17 HD12 LEU 17 31.461 17.427 32.978
108 HD13 LEU 17 HD13 LEU 17 32.658 18.593 33.260
109 HD21 LEU 17 HD21 LEU 17 29.075 17.961 33.340
110 HD22 LEU 17 HD22 LEU 17 29.423 18.577 34.995
111 HD23 LEU 17 HD23 LEU 17 28.450 19.506 33.728
112 H LYS 18 H LYS 18 31.445 23.981 34.633
113 HA LYS 18 HA LYS 18 29.559 24.401 36.909
114 HB2 LYS 18 HB2 LYS 18 31.553 26.129 35.487
115 HB3 LYS 18 HB3 LYS 18 30.588 26.728 36.806
116 HG2 LYS 18 HG2 LYS 18 32.545 26.179 37.869
117 HG3 LYS 18 HG3 LYS 18 31.359 24.994 38.409
118 HD2 LYS 18 HD2 LYS 18 32.353 23.197 36.881
119 HD3 LYS 18 HD3 LYS 18 33.491 24.305 36.317
120 HE2 LYS 18 HE2 LYS 18 33.126 23.576 39.072
121 HE3 LYS 18 HE3 LYS 18 34.455 22.874 38.169
122 HZ1 LYS 18 HZ1 LYS 18 34.293 25.734 38.993
123 HZ2 LYS 18 HZ2 LYS 18 35.264 24.546 39.544
124 HZ3 LYS 18 HZ3 LYS 18 35.445 25.070 38.000
125 H GLU 19 H GLU 19 29.312 25.192 33.600
126 HA GLU 19 HA GLU 19 27.142 26.992 34.031
127 HB2 GLU 19 HB2 GLU 19 28.145 25.598 31.628
128 HB3 GLU 19 HB3 GLU 19 26.850 26.741 31.579
129 HG2 GLU 19 HG2 GLU 19 28.493 28.414 32.549
130 HG3 GLU 19 HG3 GLU 19 29.836 27.152 32.346
131 H LYS 20 H LYS 20 27.540 23.493 33.324
132 HA LYS 20 HA LYS 20 24.700 23.065 33.153
133 HB2 LYS 20 HB2 LYS 20 27.043 21.093 33.772
134 HB3 LYS 20 HB3 LYS 20 25.295 20.768 33.465
135 HG2 LYS 20 HG2 LYS 20 27.335 21.877 31.536
136 HG3 LYS 20 HG3 LYS 20 26.495 20.366 31.282
137 HD2 LYS 20 HD2 LYS 20 24.360 21.529 31.180
138 HD3 LYS 20 HD3 LYS 20 25.150 23.027 31.027
139 HE2 LYS 20 HE2 LYS 20 25.614 20.653 29.208
140 HE3 LYS 20 HE3 LYS 20 24.615 22.003 28.767
141 HZ1 LYS 20 HZ1 LYS 20 26.962 22.195 27.955
142 HZ2 LYS 20 HZ2 LYS 20 26.516 23.524 28.903
143 HZ3 LYS 20 HZ3 LYS 20 27.472 22.374 29.440
144 H LYS 21 H LYS 21 27.017 23.143 35.775
145 HA LYS 21 HA LYS 21 25.151 21.912 37.666
146 HB2 LYS 21 HB2 LYS 21 27.957 22.898 37.764
147 HB3 LYS 21 HB3 LYS 21 27.188 22.176 39.304
148 HG2 LYS 21 HG2 LYS 21 27.751 20.655 36.730
149 HG3 LYS 21 HG3 LYS 21 28.583 20.585 38.272
150 HD2 LYS 21 HD2 LYS 21 26.855 19.709 39.529
151 HD3 LYS 21 HD3 LYS 21 25.630 20.054 38.290
152 HE2 LYS 21 HE2 LYS 21 26.817 18.486 36.708
153 HE3 LYS 21 HE3 LYS 21 28.176 18.410 37.748
154 HZ1 LYS 21 HZ1 LYS 21 25.656 17.038 38.398
155 HZ2 LYS 21 HZ2 LYS 21 27.172 16.433 38.314
156 HZ3 LYS 21 HZ3 LYS 21 26.776 17.458 39.500
157 H GLU 22 H GLU 22 25.350 24.951 36.506
158 HA GLU 22 HA GLU 22 24.659 26.438 38.979
159 HB2 GLU 22 HB2 GLU 22 26.439 27.481 37.494
160 HB3 GLU 22 HB3 GLU 22 25.250 27.532 36.167
161 HG2 GLU 22 HG2 GLU 22 23.661 28.860 37.462
162 HG3 GLU 22 HG3 GLU 22 24.460 28.477 38.953
163 H VAL 23 H VAL 23 23.851 25.902 35.523
164 HA VAL 23 HA VAL 23 21.114 26.800 35.674
165 HB VAL 23 HB VAL 23 22.455 26.166 33.669
166 HG11 VAL 23 HG11 VAL 23 21.382 23.354 33.857
167 HG12 VAL 23 HG12 VAL 23 22.303 24.115 32.528
168 HG13 VAL 23 HG13 VAL 23 23.000 23.815 34.152
169 HG21 VAL 23 HG21 VAL 23 20.543 25.760 32.261
170 HG22 VAL 23 HG22 VAL 23 19.513 25.289 33.687
171 HG23 VAL 23 HG23 VAL 23 20.097 26.925 33.398
172 H VAL 24 H VAL 24 22.551 23.623 36.466
173 HA VAL 24 HA VAL 24 19.789 22.422 36.747
174 HB VAL 24 HB VAL 24 21.938 21.286 35.847
175 HG11 VAL 24 HG11 VAL 24 23.154 21.785 37.895
176 HG12 VAL 24 HG12 VAL 24 22.254 20.437 38.749
177 HG13 VAL 24 HG13 VAL 24 23.167 20.082 37.314
178 HG21 VAL 24 HG21 VAL 24 19.660 20.214 36.154
179 HG22 VAL 24 HG22 VAL 24 20.963 19.243 35.926
180 HG23 VAL 24 HG23 VAL 24 20.308 19.596 37.631
181 H GLU 25 H GLU 25 21.935 24.063 38.974
182 HA GLU 25 HA GLU 25 20.466 22.983 41.350
183 HB2 GLU 25 HB2 GLU 25 22.783 24.768 40.946
184 HB3 GLU 25 HB3 GLU 25 21.827 24.586 42.505
185 HG2 GLU 25 HG2 GLU 25 23.475 22.558 40.932
186 HG3 GLU 25 HG3 GLU 25 24.034 23.453 42.403
187 H GLU 26 H GLU 26 20.787 25.950 39.338
188 HA GLU 26 HA GLU 26 18.720 27.307 40.793
189 HB2 GLU 26 HB2 GLU 26 19.997 27.660 38.014
190 HB3 GLU 26 HB3 GLU 26 18.684 28.748 38.513
191 HG2 GLU 26 HG2 GLU 26 21.331 28.594 39.913
192 HG3 GLU 26 HG3 GLU 26 20.858 29.711 38.659
193 H ALA 27 H ALA 27 18.563 24.993 38.185
194 HA ALA 27 HA ALA 27 15.652 25.339 37.753
195 HB1 ALA 27 HB1 ALA 27 15.869 23.108 36.603
196 HB2 ALA 27 HB2 ALA 27 16.988 24.385 36.195
197 HB3 ALA 27 HB3 ALA 27 17.547 22.995 37.240
198 H GLU 28 H GLU 28 17.643 23.621 40.191
199 HA GLU 28 HA GLU 28 15.536 22.134 41.440
200 HB2 GLU 28 HB2 GLU 28 17.777 21.274 41.238
201 HB3 GLU 28 HB3 GLU 28 18.394 22.652 42.201
202 HG2 GLU 28 HG2 GLU 28 16.972 21.667 44.123
203 HG3 GLU 28 HG3 GLU 28 16.496 20.401 42.909
204 H ASN 29 H ASN 29 16.660 25.300 41.849
205 HA ASN 29 HA ASN 29 16.117 25.607 44.705
206 HB2 ASN 29 HB2 ASN 29 18.047 26.718 43.823
207 HB3 ASN 29 HB3 ASN 29 17.175 27.356 42.471
208 HD21 ASN 29 HD22 ASN 29 18.354 29.365 43.186
209 HD22 ASN 29 HD21 ASN 29 17.778 30.110 44.675
Start of MODEL 15
1 H1 ACE 1 HH32 ACE 1 38.583 10.475 17.813
2 H2 ACE 1 HH33 ACE 1 37.106 9.613 18.324
3 H3 ACE 1 HH31 ACE 1 37.849 9.220 16.718
4 H SER 2 H SER 2 35.798 11.529 18.628
5 HA SER 2 HA SER 2 34.864 12.672 16.148
6 HB2 SER 2 HB2 SER 2 33.430 12.079 18.839
7 HB3 SER 2 HB3 SER 2 32.627 12.525 17.305
8 HG SER 2 HG SER 2 32.665 10.263 17.804
9 H ASP 3 H ASP 3 36.177 13.421 19.250
10 HA ASP 3 HA ASP 3 35.023 15.883 19.338
11 HB2 ASP 3 HB2 ASP 3 36.265 14.590 21.232
12 HB3 ASP 3 HB3 ASP 3 37.766 15.063 20.434
13 H ALA 4 H ALA 4 37.395 15.048 17.047
14 HA ALA 4 HA ALA 4 38.502 17.599 16.355
15 HB1 ALA 4 HB1 ALA 4 39.363 15.476 15.633
16 HB2 ALA 4 HB2 ALA 4 37.741 15.113 14.807
17 HB3 ALA 4 HB3 ALA 4 38.808 16.308 14.156
18 H ALA 5 H ALA 5 35.259 16.073 15.724
19 HA ALA 5 HA ALA 5 34.477 18.132 13.875
20 HB1 ALA 5 HB1 ALA 5 32.422 17.054 13.946
21 HB2 ALA 5 HB2 ALA 5 33.719 15.825 13.917
22 HB3 ALA 5 HB3 ALA 5 32.793 16.005 15.345
23 H VAL 6 H VAL 6 34.976 18.171 17.172
24 HA VAL 6 HA VAL 6 32.865 20.213 17.801
25 HB VAL 6 HB VAL 6 33.784 18.268 19.888
26 HG11 VAL 6 HG11 VAL 6 31.138 19.496 19.646
27 HG12 VAL 6 HG12 VAL 6 31.699 18.416 20.985
28 HG13 VAL 6 HG13 VAL 6 32.411 20.028 20.729
29 HG21 VAL 6 HG21 VAL 6 31.521 16.881 19.323
30 HG22 VAL 6 HG22 VAL 6 31.523 17.768 17.873
31 HG23 VAL 6 HG23 VAL 6 32.889 16.632 18.275
32 H ASP 7 H ASP 7 35.710 20.481 17.169
33 HA ASP 7 HA ASP 7 37.304 22.271 17.660
34 HB2 ASP 7 HB2 ASP 7 35.165 23.688 17.609
35 HB3 ASP 7 HB3 ASP 7 35.146 23.569 19.378
36 H THR 8 H THR 8 37.712 19.934 18.973
37 HA THR 8 HA THR 8 38.630 18.964 21.135
38 HB THR 8 HB THR 8 40.101 21.522 21.552
39 HG1 THR 8 HG1 THR 8 40.026 21.395 19.477
40 HG21 THR 8 HG21 THR 8 40.597 18.498 21.332
41 HG22 THR 8 HG22 THR 8 41.796 19.693 21.737
42 HG23 THR 8 HG23 THR 8 40.363 19.329 22.895
43 H SER 9 H SER 9 36.028 19.502 21.575
44 HA SER 9 HA SER 9 35.732 21.009 24.021
45 HB2 SER 9 HB2 SER 9 33.553 20.013 24.218
46 HB3 SER 9 HB3 SER 9 33.852 20.172 22.505
47 HG SER 9 HG SER 9 34.620 17.869 22.620
48 H SER 10 H SER 10 37.495 18.008 23.681
49 HA SER 10 HA SER 10 37.141 16.979 26.379
50 HB2 SER 10 HB2 SER 10 39.541 16.819 24.361
51 HB3 SER 10 HB3 SER 10 39.324 15.793 25.770
52 HG SER 10 HG SER 10 37.822 15.970 23.412
53 H GLU 11 H GLU 11 38.894 19.915 25.391
54 HA GLU 11 HA GLU 11 40.439 20.183 27.890
55 HB2 GLU 11 HB2 GLU 11 40.011 22.275 25.945
56 HB3 GLU 11 HB3 GLU 11 41.110 22.257 27.132
57 HG2 GLU 11 HG2 GLU 11 42.290 20.162 26.288
58 HG3 GLU 11 HG3 GLU 11 41.256 20.191 24.933
59 H ILE 12 H ILE 12 37.519 21.400 26.440
60 HA ILE 12 HA ILE 12 37.454 23.495 28.570
61 HB ILE 12 HB ILE 12 35.818 24.800 27.495
62 HG12 ILE 12 HG12 ILE 12 35.758 23.524 24.915
63 HG13 ILE 12 HG13 ILE 12 35.202 22.386 26.090
64 HG21 ILE 12 HG21 ILE 12 37.336 25.433 25.620
65 HG22 ILE 12 HG22 ILE 12 38.262 24.776 27.030
66 HG23 ILE 12 HG23 ILE 12 38.105 23.790 25.656
67 HD11 ILE 12 HD11 ILE 12 34.222 25.334 25.955
68 HD12 ILE 12 HD12 ILE 12 33.461 24.164 24.990
69 HD13 ILE 12 HD13 ILE 12 33.344 23.987 26.704
70 H THR 13 H THR 13 35.698 20.519 28.158
71 HA THR 13 HA THR 13 33.346 20.832 28.855
72 HB THR 13 HB THR 13 34.049 18.706 28.319
73 HG1 THR 13 HG1 THR 13 33.834 17.315 29.942
74 HG21 THR 13 HG21 THR 13 35.766 17.418 29.002
75 HG22 THR 13 HG22 THR 13 36.496 19.056 28.870
76 HG23 THR 13 HG23 THR 13 36.252 18.377 30.413
77 H THR 14 H THR 14 35.900 21.075 31.362
78 HA THR 14 HA THR 14 34.251 20.845 33.726
79 HB THR 14 HB THR 14 36.801 22.535 33.403
80 HG1 THR 14 HG1 THR 14 37.271 20.369 32.899
81 HG21 THR 14 HG21 THR 14 35.725 23.123 35.428
82 HG22 THR 14 HG22 THR 14 35.477 21.611 35.924
83 HG23 THR 14 HG23 THR 14 37.221 22.174 35.767
84 H LYS 15 H LYS 15 35.424 23.748 31.856
85 HA LYS 15 HA LYS 15 33.826 25.782 33.363
86 HB2 LYS 15 HB2 LYS 15 34.782 25.647 30.423
87 HB3 LYS 15 HB3 LYS 15 34.030 27.004 31.321
88 HG2 LYS 15 HG2 LYS 15 35.861 27.376 32.663
89 HG3 LYS 15 HG3 LYS 15 36.676 25.851 32.168
90 HD2 LYS 15 HD2 LYS 15 36.617 26.761 29.732
91 HD3 LYS 15 HD3 LYS 15 36.212 28.273 30.553
92 HE2 LYS 15 HE2 LYS 15 38.228 28.145 31.895
93 HE3 LYS 15 HE3 LYS 15 38.781 26.741 30.886
94 HZ1 LYS 15 HZ1 LYS 15 38.703 28.104 28.991
95 HZ2 LYS 15 HZ2 LYS 15 38.324 29.365 29.836
96 HZ3 LYS 15 HZ3 LYS 15 39.813 28.678 30.052
97 H ASP 16 H ASP 16 33.017 23.571 30.746
98 HA ASP 16 HA ASP 16 30.413 24.627 30.432
99 HB2 ASP 16 HB2 ASP 16 31.524 23.465 28.615
100 HB3 ASP 16 HB3 ASP 16 31.534 21.929 29.574
101 H LEU 17 H LEU 17 31.818 22.153 32.549
102 HA LEU 17 HA LEU 17 29.063 21.346 33.371
103 HB2 LEU 17 HB2 LEU 17 31.863 20.306 34.157
104 HB3 LEU 17 HB3 LEU 17 30.290 19.812 34.876
105 HG LEU 17 HG LEU 17 31.015 19.585 31.846
106 HD11 LEU 17 HD11 LEU 17 31.562 17.641 34.119
107 HD12 LEU 17 HD12 LEU 17 31.345 17.149 32.345
108 HD13 LEU 17 HD13 LEU 17 32.678 18.131 32.877
109 HD21 LEU 17 HD21 LEU 17 29.262 17.842 31.779
110 HD22 LEU 17 HD22 LEU 17 29.130 17.924 33.539
111 HD23 LEU 17 HD23 LEU 17 28.415 19.206 32.463
112 H LYS 18 H LYS 18 31.299 23.477 34.446
113 HA LYS 18 HA LYS 18 29.813 24.164 36.851
114 HB2 LYS 18 HB2 LYS 18 32.156 25.323 35.198
115 HB3 LYS 18 HB3 LYS 18 31.253 26.475 36.178
116 HG2 LYS 18 HG2 LYS 18 33.079 25.652 37.353
117 HG3 LYS 18 HG3 LYS 18 31.502 25.110 38.165
118 HD2 LYS 18 HD2 LYS 18 32.055 22.692 37.385
119 HD3 LYS 18 HD3 LYS 18 33.371 23.341 36.480
120 HE2 LYS 18 HE2 LYS 18 34.071 22.068 38.372
121 HE3 LYS 18 HE3 LYS 18 34.662 23.675 38.599
122 HZ1 LYS 18 HZ1 LYS 18 32.663 24.325 39.884
123 HZ2 LYS 18 HZ2 LYS 18 32.331 22.669 39.971
124 HZ3 LYS 18 HZ3 LYS 18 33.697 23.459 40.594
125 H GLU 19 H GLU 19 29.401 24.853 33.473
126 HA GLU 19 HA GLU 19 27.398 26.870 33.957
127 HB2 GLU 19 HB2 GLU 19 28.645 26.344 31.766
128 HB3 GLU 19 HB3 GLU 19 27.682 25.009 31.405
129 HG2 GLU 19 HG2 GLU 19 25.689 26.768 31.926
130 HG3 GLU 19 HG3 GLU 19 27.055 27.876 31.469
131 H LYS 20 H LYS 20 27.597 23.551 33.394
132 HA LYS 20 HA LYS 20 24.635 23.017 33.611
133 HB2 LYS 20 HB2 LYS 20 26.757 20.889 33.912
134 HB3 LYS 20 HB3 LYS 20 25.028 20.677 33.558
135 HG2 LYS 20 HG2 LYS 20 27.230 21.683 31.673
136 HG3 LYS 20 HG3 LYS 20 26.233 20.284 31.594
137 HD2 LYS 20 HD2 LYS 20 24.144 21.828 31.413
138 HD3 LYS 20 HD3 LYS 20 25.175 23.195 31.437
139 HE2 LYS 20 HE2 LYS 20 25.540 21.083 29.286
140 HE3 LYS 20 HE3 LYS 20 24.418 22.459 29.247
141 HZ1 LYS 20 HZ1 LYS 20 26.349 23.884 29.518
142 HZ2 LYS 20 HZ2 LYS 20 27.368 22.560 29.723
143 HZ3 LYS 20 HZ3 LYS 20 26.920 22.858 28.331
144 H LYS 21 H LYS 21 26.904 23.577 36.048
145 HA LYS 21 HA LYS 21 25.137 22.137 37.999
146 HB2 LYS 21 HB2 LYS 21 28.093 23.159 38.239
147 HB3 LYS 21 HB3 LYS 21 27.137 22.631 39.637
148 HG2 LYS 21 HG2 LYS 21 26.583 20.479 38.683
149 HG3 LYS 21 HG3 LYS 21 27.370 20.903 37.165
150 HD2 LYS 21 HD2 LYS 21 29.595 21.231 38.458
151 HD3 LYS 21 HD3 LYS 21 28.675 20.920 39.900
152 HE2 LYS 21 HE2 LYS 21 29.211 19.053 37.640
153 HE3 LYS 21 HE3 LYS 21 29.880 18.889 39.296
154 HZ1 LYS 21 HZ1 LYS 21 28.251 17.312 39.131
155 HZ2 LYS 21 HZ2 LYS 21 27.567 18.447 39.986
156 HZ3 LYS 21 HZ3 LYS 21 27.143 18.274 38.405
157 H GLU 22 H GLU 22 25.581 25.027 36.702
158 HA GLU 22 HA GLU 22 24.873 26.631 39.214
159 HB2 GLU 22 HB2 GLU 22 27.149 27.352 38.018
160 HB3 GLU 22 HB3 GLU 22 26.092 27.661 36.716
161 HG2 GLU 22 HG2 GLU 22 26.735 29.743 37.949
162 HG3 GLU 22 HG3 GLU 22 25.001 29.532 37.953
163 H VAL 23 H VAL 23 24.207 26.195 35.710
164 HA VAL 23 HA VAL 23 21.880 27.487 35.774
165 HB VAL 23 HB VAL 23 23.215 26.340 33.844
166 HG11 VAL 23 HG11 VAL 23 23.103 24.269 34.465
167 HG12 VAL 23 HG12 VAL 23 21.282 24.168 34.039
168 HG13 VAL 23 HG13 VAL 23 22.593 24.549 32.861
169 HG21 VAL 23 HG21 VAL 23 20.190 26.589 33.711
170 HG22 VAL 23 HG22 VAL 23 21.483 27.752 32.986
171 HG23 VAL 23 HG23 VAL 23 21.003 26.172 32.360
172 H VAL 24 H VAL 24 22.804 24.185 36.682
173 HA VAL 24 HA VAL 24 19.961 23.311 36.879
174 HB VAL 24 HB VAL 24 21.954 21.939 36.060
175 HG11 VAL 24 HG11 VAL 24 22.563 20.270 37.951
176 HG12 VAL 24 HG12 VAL 24 23.022 22.055 38.258
177 HG13 VAL 24 HG13 VAL 24 21.659 21.222 39.088
178 HG21 VAL 24 HG21 VAL 24 19.655 20.728 37.766
179 HG22 VAL 24 HG22 VAL 24 19.439 21.142 36.163
180 HG23 VAL 24 HG23 VAL 24 20.628 19.836 36.601
181 H GLU 25 H GLU 25 22.267 24.345 39.136
182 HA GLU 25 HA GLU 25 20.626 23.629 41.466
183 HB2 GLU 25 HB2 GLU 25 23.103 24.056 41.565
184 HB3 GLU 25 HB3 GLU 25 22.808 25.709 41.013
185 HG2 GLU 25 HG2 GLU 25 21.670 26.239 43.037
186 HG3 GLU 25 HG3 GLU 25 21.770 24.543 43.647
187 H GLU 26 H GLU 26 20.636 26.376 39.155
188 HA GLU 26 HA GLU 26 18.398 27.422 40.648
189 HB2 GLU 26 HB2 GLU 26 19.941 29.015 39.605
190 HB3 GLU 26 HB3 GLU 26 19.887 28.198 38.088
191 HG2 GLU 26 HG2 GLU 26 17.564 28.900 37.767
192 HG3 GLU 26 HG3 GLU 26 17.609 29.671 39.450
193 H ALA 27 H ALA 27 18.616 25.005 38.045
194 HA ALA 27 HA ALA 27 15.801 25.115 37.513
195 HB1 ALA 27 HB1 ALA 27 17.676 22.661 37.334
196 HB2 ALA 27 HB2 ALA 27 16.253 22.961 36.478
197 HB3 ALA 27 HB3 ALA 27 17.601 24.009 36.103
198 H GLU 28 H GLU 28 17.657 23.235 39.609
199 HA GLU 28 HA GLU 28 15.404 21.702 40.787
200 HB2 GLU 28 HB2 GLU 28 18.421 21.784 41.523
201 HB3 GLU 28 HB3 GLU 28 17.218 20.879 42.351
202 HG2 GLU 28 HG2 GLU 28 17.444 20.533 39.437
203 HG3 GLU 28 HG3 GLU 28 18.733 19.764 40.389
204 H ASN 29 H ASN 29 16.674 24.641 41.818
205 HA ASN 29 HA ASN 29 15.949 24.542 44.665
206 HB2 ASN 29 HB2 ASN 29 17.192 26.530 42.806
207 HB3 ASN 29 HB3 ASN 29 16.192 27.205 43.861
208 HD21 ASN 29 HD22 ASN 29 19.242 26.199 43.387
209 HD22 ASN 29 HD21 ASN 29 19.714 25.868 45.016
Start of MODEL 16
1 H1 ACE 1 HH32 ACE 1 38.899 15.815 14.729
2 H2 ACE 1 HH33 ACE 1 38.920 15.860 12.871
3 H3 ACE 1 HH31 ACE 1 39.633 17.145 13.649
4 H SER 2 H SER 2 36.678 15.372 14.370
5 HA SER 2 HA SER 2 34.839 17.162 13.135
6 HB2 SER 2 HB2 SER 2 34.261 15.647 15.594
7 HB3 SER 2 HB3 SER 2 33.052 16.217 14.332
8 HG SER 2 HG SER 2 34.788 14.033 14.342
9 H ASP 3 H ASP 3 36.282 17.220 16.450
10 HA ASP 3 HA ASP 3 34.482 19.112 17.523
11 HB2 ASP 3 HB2 ASP 3 35.563 17.488 18.841
12 HB3 ASP 3 HB3 ASP 3 37.128 18.487 18.610
13 H ALA 4 H ALA 4 36.900 19.649 15.162
14 HA ALA 4 HA ALA 4 37.577 22.398 15.823
15 HB1 ALA 4 HB1 ALA 4 39.083 21.277 14.330
16 HB2 ALA 4 HB2 ALA 4 37.624 20.819 13.336
17 HB3 ALA 4 HB3 ALA 4 38.175 22.486 13.371
18 H ALA 5 H ALA 5 34.855 21.053 13.848
19 HA ALA 5 HA ALA 5 33.628 23.554 13.207
20 HB1 ALA 5 HB1 ALA 5 32.416 20.683 13.554
21 HB2 ALA 5 HB2 ALA 5 31.718 22.051 12.680
22 HB3 ALA 5 HB3 ALA 5 33.259 21.349 12.131
23 H VAL 6 H VAL 6 34.037 22.134 16.264
24 HA VAL 6 HA VAL 6 31.675 23.691 17.344
25 HB VAL 6 HB VAL 6 33.219 21.644 18.846
26 HG11 VAL 6 HG11 VAL 6 30.880 21.654 20.164
27 HG12 VAL 6 HG12 VAL 6 31.448 23.312 19.976
28 HG13 VAL 6 HG13 VAL 6 30.283 22.624 18.838
29 HG21 VAL 6 HG21 VAL 6 30.874 21.056 17.072
30 HG22 VAL 6 HG22 VAL 6 32.575 20.378 17.134
31 HG23 VAL 6 HG23 VAL 6 31.330 20.094 18.476
32 H ASP 7 H ASP 7 34.860 23.967 16.663
33 HA ASP 7 HA ASP 7 36.539 25.339 17.181
34 HB2 ASP 7 HB2 ASP 7 34.857 27.105 17.271
35 HB3 ASP 7 HB3 ASP 7 34.664 26.911 18.946
36 H THR 8 H THR 8 36.365 22.981 18.478
37 HA THR 8 HA THR 8 37.233 21.628 19.976
38 HB THR 8 HB THR 8 39.175 23.868 20.700
39 HG1 THR 8 HG1 THR 8 39.494 23.606 18.759
40 HG21 THR 8 HG21 THR 8 39.368 20.818 21.001
41 HG22 THR 8 HG22 THR 8 40.717 21.823 21.289
42 HG23 THR 8 HG23 THR 8 39.305 21.986 22.372
43 H SER 9 H SER 9 34.938 21.706 20.914
44 HA SER 9 HA SER 9 34.526 22.845 23.462
45 HB2 SER 9 HB2 SER 9 32.709 21.371 23.646
46 HB3 SER 9 HB3 SER 9 32.817 21.885 22.007
47 HG SER 9 HG SER 9 33.904 19.955 21.467
48 H SER 10 H SER 10 36.409 20.023 22.670
49 HA SER 10 HA SER 10 36.634 18.935 25.213
50 HB2 SER 10 HB2 SER 10 38.681 18.901 23.000
51 HB3 SER 10 HB3 SER 10 38.621 17.730 24.185
52 HG SER 10 HG SER 10 36.804 18.278 22.198
53 H GLU 11 H GLU 11 37.995 21.902 24.297
54 HA GLU 11 HA GLU 11 39.788 21.624 26.630
55 HB2 GLU 11 HB2 GLU 11 40.036 23.513 24.401
56 HB3 GLU 11 HB3 GLU 11 40.912 23.630 25.926
57 HG2 GLU 11 HG2 GLU 11 42.070 21.426 25.415
58 HG3 GLU 11 HG3 GLU 11 41.138 21.187 24.016
59 H ILE 12 H ILE 12 36.931 23.298 25.696
60 HA ILE 12 HA ILE 12 37.223 24.897 28.227
61 HB ILE 12 HB ILE 12 35.021 26.050 27.452
62 HG12 ILE 12 HG12 ILE 12 35.328 24.494 24.757
63 HG13 ILE 12 HG13 ILE 12 34.311 23.821 26.032
64 HG21 ILE 12 HG21 ILE 12 37.184 26.069 25.414
65 HG22 ILE 12 HG22 ILE 12 35.851 27.270 25.564
66 HG23 ILE 12 HG23 ILE 12 36.963 27.195 26.886
67 HD11 ILE 12 HD11 ILE 12 32.885 25.808 26.032
68 HD12 ILE 12 HD12 ILE 12 33.899 26.541 24.726
69 HD13 ILE 12 HD13 ILE 12 32.920 25.048 24.544
70 H THR 13 H THR 13 35.759 21.997 27.188
71 HA THR 13 HA THR 13 33.411 21.950 28.472
72 HB THR 13 HB THR 13 34.173 20.059 27.222
73 HG1 THR 13 HG1 THR 13 32.891 19.556 29.270
74 HG21 THR 13 HG21 THR 13 35.945 18.786 27.675
75 HG22 THR 13 HG22 THR 13 36.678 20.347 28.173
76 HG23 THR 13 HG23 THR 13 36.200 19.236 29.414
77 H THR 14 H THR 14 36.429 21.778 30.623
78 HA THR 14 HA THR 14 34.734 21.077 32.850
79 HB THR 14 HB THR 14 37.537 22.420 33.065
80 HG1 THR 14 HG1 THR 14 37.918 20.739 31.819
81 HG21 THR 14 HG21 THR 14 35.970 20.432 34.715
82 HG22 THR 14 HG22 THR 14 37.640 21.012 35.064
83 HG23 THR 14 HG23 THR 14 36.218 22.083 35.141
84 H LYS 15 H LYS 15 35.215 24.054 31.228
85 HA LYS 15 HA LYS 15 34.450 25.981 33.436
86 HB2 LYS 15 HB2 LYS 15 34.707 26.464 30.492
87 HB3 LYS 15 HB3 LYS 15 34.442 27.611 31.721
88 HG2 LYS 15 HG2 LYS 15 36.788 27.161 32.656
89 HG3 LYS 15 HG3 LYS 15 36.998 25.904 31.465
90 HD2 LYS 15 HD2 LYS 15 36.884 27.438 29.726
91 HD3 LYS 15 HD3 LYS 15 36.513 28.793 30.736
92 HE2 LYS 15 HE2 LYS 15 38.577 28.630 32.068
93 HE3 LYS 15 HE3 LYS 15 39.024 27.204 31.167
94 HZ1 LYS 15 HZ1 LYS 15 39.964 29.448 30.490
95 HZ2 LYS 15 HZ2 LYS 15 39.172 28.755 29.208
96 HZ3 LYS 15 HZ3 LYS 15 38.434 29.931 30.039
97 H ASP 16 H ASP 16 33.083 24.146 30.758
98 HA ASP 16 HA ASP 16 30.441 25.193 30.968
99 HB2 ASP 16 HB2 ASP 16 31.694 24.406 28.885
100 HB3 ASP 16 HB3 ASP 16 31.647 22.813 29.479
101 H LEU 17 H LEU 17 32.137 22.624 32.671
102 HA LEU 17 HA LEU 17 29.686 21.192 33.018
103 HB2 LEU 17 HB2 LEU 17 32.527 20.577 33.553
104 HB3 LEU 17 HB3 LEU 17 31.240 19.654 34.404
105 HG LEU 17 HG LEU 17 31.166 20.010 31.510
106 HD11 LEU 17 HD11 LEU 17 33.214 19.045 31.723
107 HD12 LEU 17 HD12 LEU 17 32.582 17.840 32.993
108 HD13 LEU 17 HD13 LEU 17 32.081 17.761 31.233
109 HD21 LEU 17 HD21 LEU 17 30.069 17.642 32.872
110 HD22 LEU 17 HD22 LEU 17 29.104 19.157 32.846
111 HD23 LEU 17 HD23 LEU 17 29.626 18.448 31.375
112 H LYS 18 H LYS 18 31.390 23.698 34.677
113 HA LYS 18 HA LYS 18 30.000 23.377 37.322
114 HB2 LYS 18 HB2 LYS 18 31.946 25.379 36.074
115 HB3 LYS 18 HB3 LYS 18 30.963 25.681 37.507
116 HG2 LYS 18 HG2 LYS 18 32.953 25.143 38.436
117 HG3 LYS 18 HG3 LYS 18 32.166 23.575 38.564
118 HD2 LYS 18 HD2 LYS 18 33.343 23.040 36.270
119 HD3 LYS 18 HD3 LYS 18 34.175 24.521 36.407
120 HE2 LYS 18 HE2 LYS 18 34.271 22.143 38.235
121 HE3 LYS 18 HE3 LYS 18 35.588 22.760 37.218
122 HZ1 LYS 18 HZ1 LYS 18 35.818 24.703 38.686
123 HZ2 LYS 18 HZ2 LYS 18 34.607 24.216 39.629
124 HZ3 LYS 18 HZ3 LYS 18 35.936 23.326 39.559
125 H GLU 19 H GLU 19 29.695 24.898 34.160
126 HA GLU 19 HA GLU 19 27.322 26.375 34.775
127 HB2 GLU 19 HB2 GLU 19 29.041 25.630 32.495
128 HB3 GLU 19 HB3 GLU 19 27.414 25.266 32.048
129 HG2 GLU 19 HG2 GLU 19 26.822 27.625 32.869
130 HG3 GLU 19 HG3 GLU 19 28.457 27.840 33.474
131 H LYS 20 H LYS 20 27.750 23.087 33.682
132 HA LYS 20 HA LYS 20 24.915 22.717 33.364
133 HB2 LYS 20 HB2 LYS 20 27.158 20.769 33.764
134 HB3 LYS 20 HB3 LYS 20 25.612 20.158 33.397
135 HG2 LYS 20 HG2 LYS 20 27.301 21.561 31.323
136 HG3 LYS 20 HG3 LYS 20 26.605 20.004 31.350
137 HD2 LYS 20 HD2 LYS 20 24.379 21.013 31.217
138 HD3 LYS 20 HD3 LYS 20 25.062 22.601 30.846
139 HE2 LYS 20 HE2 LYS 20 25.246 19.948 29.352
140 HE3 LYS 20 HE3 LYS 20 24.417 21.379 28.865
141 HZ1 LYS 20 HZ1 LYS 20 26.565 22.523 28.618
142 HZ2 LYS 20 HZ2 LYS 20 27.369 21.165 29.227
143 HZ3 LYS 20 HZ3 LYS 20 26.655 21.157 27.895
144 H LYS 21 H LYS 21 26.920 22.846 36.138
145 HA LYS 21 HA LYS 21 25.042 21.351 37.975
146 HB2 LYS 21 HB2 LYS 21 27.783 22.461 38.568
147 HB3 LYS 21 HB3 LYS 21 26.686 21.837 39.672
148 HG2 LYS 21 HG2 LYS 21 26.568 19.675 38.840
149 HG3 LYS 21 HG3 LYS 21 27.383 20.130 37.306
150 HD2 LYS 21 HD2 LYS 21 29.484 20.522 38.603
151 HD3 LYS 21 HD3 LYS 21 28.613 20.115 40.091
152 HE2 LYS 21 HE2 LYS 21 29.074 18.335 37.651
153 HE3 LYS 21 HE3 LYS 21 30.181 18.374 39.161
154 HZ1 LYS 21 HZ1 LYS 21 28.567 16.481 39.019
155 HZ2 LYS 21 HZ2 LYS 21 28.322 17.386 40.333
156 HZ3 LYS 21 HZ3 LYS 21 27.332 17.582 39.224
157 H GLU 22 H GLU 22 25.723 24.554 36.860
158 HA GLU 22 HA GLU 22 24.815 26.089 39.200
159 HB2 GLU 22 HB2 GLU 22 26.757 26.689 38.126
160 HB3 GLU 22 HB3 GLU 22 26.064 26.874 36.603
161 HG2 GLU 22 HG2 GLU 22 24.593 28.729 37.480
162 HG3 GLU 22 HG3 GLU 22 25.243 28.580 39.087
163 H VAL 23 H VAL 23 24.018 25.642 35.744
164 HA VAL 23 HA VAL 23 21.482 26.754 35.761
165 HB VAL 23 HB VAL 23 23.074 26.043 33.831
166 HG11 VAL 23 HG11 VAL 23 22.568 23.932 32.568
167 HG12 VAL 23 HG12 VAL 23 23.211 23.542 34.222
168 HG13 VAL 23 HG13 VAL 23 21.474 23.528 33.802
169 HG21 VAL 23 HG21 VAL 23 20.805 27.013 33.376
170 HG22 VAL 23 HG22 VAL 23 21.105 25.630 32.225
171 HG23 VAL 23 HG23 VAL 23 20.175 25.331 33.644
172 H VAL 24 H VAL 24 22.791 23.566 36.620
173 HA VAL 24 HA VAL 24 19.992 22.512 36.703
174 HB VAL 24 HB VAL 24 21.929 21.173 35.964
175 HG11 VAL 24 HG11 VAL 24 23.250 20.016 37.627
176 HG12 VAL 24 HG12 VAL 24 22.912 21.541 38.611
177 HG13 VAL 24 HG13 VAL 24 22.009 20.125 38.910
178 HG21 VAL 24 HG21 VAL 24 20.990 18.992 36.538
179 HG22 VAL 24 HG22 VAL 24 19.874 19.773 37.629
180 HG23 VAL 24 HG23 VAL 24 19.819 20.026 35.981
181 H GLU 25 H GLU 25 22.054 23.864 39.104
182 HA GLU 25 HA GLU 25 20.290 23.417 41.456
183 HB2 GLU 25 HB2 GLU 25 22.723 25.022 40.830
184 HB3 GLU 25 HB3 GLU 25 21.716 25.321 42.322
185 HG2 GLU 25 HG2 GLU 25 23.013 22.739 41.389
186 HG3 GLU 25 HG3 GLU 25 23.736 23.801 42.455
187 H GLU 26 H GLU 26 20.564 25.877 38.963
188 HA GLU 26 HA GLU 26 18.569 27.445 40.300
189 HB2 GLU 26 HB2 GLU 26 19.318 27.222 37.381
190 HB3 GLU 26 HB3 GLU 26 18.101 28.345 37.762
191 HG2 GLU 26 HG2 GLU 26 20.895 28.703 38.709
192 HG3 GLU 26 HG3 GLU 26 19.979 29.702 37.741
193 H ALA 27 H ALA 27 18.182 24.499 38.197
194 HA ALA 27 HA ALA 27 15.381 24.675 37.712
195 HB1 ALA 27 HB1 ALA 27 16.894 22.070 38.094
196 HB2 ALA 27 HB2 ALA 27 15.535 22.717 36.921
197 HB3 ALA 27 HB3 ALA 27 17.153 22.989 36.677
198 H GLU 28 H GLU 28 16.980 23.413 40.537
199 HA GLU 28 HA GLU 28 14.419 23.234 41.989
200 HB2 GLU 28 HB2 GLU 28 16.616 21.561 42.313
201 HB3 GLU 28 HB3 GLU 28 16.650 22.491 43.720
202 HG2 GLU 28 HG2 GLU 28 14.308 22.098 44.391
203 HG3 GLU 28 HG3 GLU 28 14.086 21.118 42.914
204 H ASN 29 H ASN 29 16.530 25.670 41.628
205 HA ASN 29 HA ASN 29 16.094 26.988 44.233
206 HB2 ASN 29 HB2 ASN 29 17.785 27.671 42.296
207 HB3 ASN 29 HB3 ASN 29 16.463 28.214 41.443
208 HD21 ASN 29 HD22 ASN 29 17.775 30.348 41.562
209 HD22 ASN 29 HD21 ASN 29 17.758 31.403 42.994
Start of MODEL 17
1 H1 ACE 1 HH32 ACE 1 43.072 17.497 14.401
2 H2 ACE 1 HH33 ACE 1 43.008 18.934 15.432
3 H3 ACE 1 HH31 ACE 1 42.440 17.358 16.058
4 H SER 2 H SER 2 40.516 16.465 15.426
5 HA SER 2 HA SER 2 38.740 17.652 13.356
6 HB2 SER 2 HB2 SER 2 38.404 15.533 15.382
7 HB3 SER 2 HB3 SER 2 37.155 15.966 14.139
8 HG SER 2 HG SER 2 38.506 14.155 13.568
9 H ASP 3 H ASP 3 38.865 17.730 16.786
10 HA ASP 3 HA ASP 3 36.549 19.351 17.506
11 HB2 ASP 3 HB2 ASP 3 38.259 17.956 18.964
12 HB3 ASP 3 HB3 ASP 3 39.365 19.252 18.717
13 H ALA 4 H ALA 4 39.263 20.426 15.659
14 HA ALA 4 HA ALA 4 39.141 23.180 16.367
15 HB1 ALA 4 HB1 ALA 4 39.527 22.125 13.501
16 HB2 ALA 4 HB2 ALA 4 40.170 23.595 14.158
17 HB3 ALA 4 HB3 ALA 4 40.714 22.056 14.826
18 H ALA 5 H ALA 5 36.874 21.185 14.419
19 HA ALA 5 HA ALA 5 35.346 23.409 13.250
20 HB1 ALA 5 HB1 ALA 5 34.943 20.398 13.510
21 HB2 ALA 5 HB2 ALA 5 33.987 21.508 12.491
22 HB3 ALA 5 HB3 ALA 5 35.787 21.255 12.220
23 H VAL 6 H VAL 6 35.644 22.684 16.365
24 HA VAL 6 HA VAL 6 32.918 23.449 16.980
25 HB VAL 6 HB VAL 6 34.305 21.583 18.891
26 HG11 VAL 6 HG11 VAL 6 31.379 22.294 18.391
27 HG12 VAL 6 HG12 VAL 6 31.834 21.023 19.503
28 HG13 VAL 6 HG13 VAL 6 32.389 22.668 19.822
29 HG21 VAL 6 HG21 VAL 6 32.617 20.460 16.624
30 HG22 VAL 6 HG22 VAL 6 34.304 20.016 17.137
31 HG23 VAL 6 HG23 VAL 6 32.940 19.614 18.184
32 H ASP 7 H ASP 7 35.742 24.572 16.833
33 HA ASP 7 HA ASP 7 37.131 25.973 17.821
34 HB2 ASP 7 HB2 ASP 7 35.148 27.362 17.843
35 HB3 ASP 7 HB3 ASP 7 34.806 26.749 19.467
36 H THR 8 H THR 8 37.807 23.482 18.595
37 HA THR 8 HA THR 8 38.593 22.110 20.365
38 HB THR 8 HB THR 8 39.602 24.776 21.237
39 HG1 THR 8 HG1 THR 8 39.997 24.992 19.221
40 HG21 THR 8 HG21 THR 8 40.907 22.007 21.101
41 HG22 THR 8 HG22 THR 8 41.834 23.591 21.404
42 HG23 THR 8 HG23 THR 8 40.730 23.003 22.543
43 H SER 9 H SER 9 36.339 22.095 20.981
44 HA SER 9 HA SER 9 35.380 23.358 23.434
45 HB2 SER 9 HB2 SER 9 33.557 21.699 23.305
46 HB3 SER 9 HB3 SER 9 33.887 22.322 21.667
47 HG SER 9 HG SER 9 35.277 20.552 21.370
48 H SER 10 H SER 10 37.580 20.632 23.004
49 HA SER 10 HA SER 10 37.070 19.193 25.492
50 HB2 SER 10 HB2 SER 10 39.395 19.315 23.541
51 HB3 SER 10 HB3 SER 10 39.058 17.990 24.774
52 HG SER 10 HG SER 10 37.667 18.588 22.431
53 H GLU 11 H GLU 11 38.571 22.303 24.807
54 HA GLU 11 HA GLU 11 40.350 21.973 27.042
55 HB2 GLU 11 HB2 GLU 11 40.836 23.095 24.687
56 HB3 GLU 11 HB3 GLU 11 39.564 24.192 25.117
57 HG2 GLU 11 HG2 GLU 11 41.005 24.908 27.092
58 HG3 GLU 11 HG3 GLU 11 42.222 23.819 26.395
59 H ILE 12 H ILE 12 37.218 23.427 26.225
60 HA ILE 12 HA ILE 12 37.240 25.115 28.636
61 HB ILE 12 HB ILE 12 35.409 26.267 27.964
62 HG12 ILE 12 HG12 ILE 12 35.252 24.846 25.233
63 HG13 ILE 12 HG13 ILE 12 34.455 24.059 26.491
64 HG21 ILE 12 HG21 ILE 12 37.040 25.927 25.472
65 HG22 ILE 12 HG22 ILE 12 36.241 27.328 25.830
66 HG23 ILE 12 HG23 ILE 12 37.676 26.852 26.824
67 HD11 ILE 12 HD11 ILE 12 32.994 26.092 26.721
68 HD12 ILE 12 HD12 ILE 12 33.903 26.929 25.405
69 HD13 ILE 12 HD13 ILE 12 32.941 25.397 25.149
70 H THR 13 H THR 13 36.142 22.074 27.785
71 HA THR 13 HA THR 13 33.646 21.766 28.718
72 HB THR 13 HB THR 13 34.870 20.031 27.535
73 HG1 THR 13 HG1 THR 13 33.097 19.494 28.754
74 HG21 THR 13 HG21 THR 13 36.995 20.493 28.771
75 HG22 THR 13 HG22 THR 13 36.469 19.418 30.105
76 HG23 THR 13 HG23 THR 13 36.667 18.817 28.446
77 H THR 14 H THR 14 36.220 22.238 30.955
78 HA THR 14 HA THR 14 34.690 21.306 33.360
79 HB THR 14 HB THR 14 37.064 23.198 33.521
80 HG1 THR 14 HG1 THR 14 38.089 21.542 32.483
81 HG21 THR 14 HG21 THR 14 35.611 21.336 35.255
82 HG22 THR 14 HG22 THR 14 37.344 21.982 35.489
83 HG23 THR 14 HG23 THR 14 35.897 23.040 35.434
84 H LYS 15 H LYS 15 35.230 24.196 31.583
85 HA LYS 15 HA LYS 15 33.911 26.041 33.413
86 HB2 LYS 15 HB2 LYS 15 34.829 26.476 30.625
87 HB3 LYS 15 HB3 LYS 15 34.059 27.636 31.533
88 HG2 LYS 15 HG2 LYS 15 36.042 27.407 33.232
89 HG3 LYS 15 HG3 LYS 15 36.684 26.150 32.262
90 HD2 LYS 15 HD2 LYS 15 36.785 27.814 30.230
91 HD3 LYS 15 HD3 LYS 15 35.977 29.055 31.221
92 HE2 LYS 15 HE2 LYS 15 37.807 29.036 32.812
93 HE3 LYS 15 HE3 LYS 15 38.397 27.513 31.951
94 HZ1 LYS 15 HZ1 LYS 15 38.827 29.065 29.966
95 HZ2 LYS 15 HZ2 LYS 15 38.480 30.298 30.825
96 HZ3 LYS 15 HZ3 LYS 15 39.707 29.519 31.326
97 H ASP 16 H ASP 16 33.082 23.948 30.877
98 HA ASP 16 HA ASP 16 30.319 24.809 30.453
99 HB2 ASP 16 HB2 ASP 16 31.633 23.618 28.660
100 HB3 ASP 16 HB3 ASP 16 31.615 22.145 29.614
101 H LEU 17 H LEU 17 31.975 22.327 32.295
102 HA LEU 17 HA LEU 17 29.376 21.266 33.280
103 HB2 LEU 17 HB2 LEU 17 32.285 20.756 33.868
104 HB3 LEU 17 HB3 LEU 17 30.912 19.963 34.821
105 HG LEU 17 HG LEU 17 31.072 19.852 31.687
106 HD11 LEU 17 HD11 LEU 17 33.343 19.092 32.240
107 HD12 LEU 17 HD12 LEU 17 32.848 18.381 33.739
108 HD13 LEU 17 HD13 LEU 17 32.405 17.612 32.208
109 HD21 LEU 17 HD21 LEU 17 30.044 17.631 32.297
110 HD22 LEU 17 HD22 LEU 17 30.190 18.121 34.039
111 HD23 LEU 17 HD23 LEU 17 29.077 18.910 32.960
112 H LYS 18 H LYS 18 31.471 23.806 34.369
113 HA LYS 18 HA LYS 18 29.935 23.965 36.934
114 HB2 LYS 18 HB2 LYS 18 31.978 25.621 35.460
115 HB3 LYS 18 HB3 LYS 18 30.892 26.481 36.573
116 HG2 LYS 18 HG2 LYS 18 32.825 26.006 37.808
117 HG3 LYS 18 HG3 LYS 18 31.600 24.854 38.311
118 HD2 LYS 18 HD2 LYS 18 32.785 23.185 36.668
119 HD3 LYS 18 HD3 LYS 18 33.825 24.327 36.232
120 HE2 LYS 18 HE2 LYS 18 33.860 23.222 39.059
121 HE3 LYS 18 HE3 LYS 18 35.042 22.940 37.814
122 HZ1 LYS 18 HZ1 LYS 18 35.954 24.678 39.233
123 HZ2 LYS 18 HZ2 LYS 18 35.513 25.329 37.807
124 HZ3 LYS 18 HZ3 LYS 18 34.548 25.450 39.151
125 H GLU 19 H GLU 19 29.494 24.972 33.597
126 HA GLU 19 HA GLU 19 27.182 26.694 34.104
127 HB2 GLU 19 HB2 GLU 19 28.601 26.047 31.961
128 HB3 GLU 19 HB3 GLU 19 27.396 24.942 31.626
129 HG2 GLU 19 HG2 GLU 19 25.721 26.770 31.795
130 HG3 GLU 19 HG3 GLU 19 27.017 27.854 32.379
131 H LYS 20 H LYS 20 27.602 23.214 33.361
132 HA LYS 20 HA LYS 20 24.829 22.569 33.323
133 HB2 LYS 20 HB2 LYS 20 27.230 20.617 33.553
134 HB3 LYS 20 HB3 LYS 20 25.604 20.187 33.555
135 HG2 LYS 20 HG2 LYS 20 26.981 21.810 31.462
136 HG3 LYS 20 HG3 LYS 20 26.995 19.982 31.515
137 HD2 LYS 20 HD2 LYS 20 24.518 19.930 30.975
138 HD3 LYS 20 HD3 LYS 20 24.362 21.661 31.183
139 HE2 LYS 20 HE2 LYS 20 25.877 20.073 29.076
140 HE3 LYS 20 HE3 LYS 20 24.487 21.122 28.794
141 HZ1 LYS 20 HZ1 LYS 20 26.364 22.192 28.017
142 HZ2 LYS 20 HZ2 LYS 20 26.036 22.963 29.367
143 HZ3 LYS 20 HZ3 LYS 20 27.257 21.954 29.371
144 H LYS 21 H LYS 21 27.108 22.772 36.021
145 HA LYS 21 HA LYS 21 25.376 21.246 38.034
146 HB2 LYS 21 HB2 LYS 21 28.128 22.638 38.209
147 HB3 LYS 21 HB3 LYS 21 27.352 22.064 39.582
148 HG2 LYS 21 HG2 LYS 21 27.185 19.890 38.742
149 HG3 LYS 21 HG3 LYS 21 27.956 20.340 37.109
150 HD2 LYS 21 HD2 LYS 21 30.047 20.812 38.435
151 HD3 LYS 21 HD3 LYS 21 29.246 20.395 40.001
152 HE2 LYS 21 HE2 LYS 21 29.601 18.297 37.835
153 HE3 LYS 21 HE3 LYS 21 30.655 18.621 39.238
154 HZ1 LYS 21 HZ1 LYS 21 27.846 18.069 39.641
155 HZ2 LYS 21 HZ2 LYS 21 28.894 16.910 39.491
156 HZ3 LYS 21 HZ3 LYS 21 29.158 18.134 40.653
157 H GLU 22 H GLU 22 25.677 24.278 36.979
158 HA GLU 22 HA GLU 22 24.794 25.626 39.555
159 HB2 GLU 22 HB2 GLU 22 26.762 26.620 38.571
160 HB3 GLU 22 HB3 GLU 22 25.911 26.731 37.036
161 HG2 GLU 22 HG2 GLU 22 24.261 28.349 38.128
162 HG3 GLU 22 HG3 GLU 22 25.113 28.278 39.631
163 H VAL 23 H VAL 23 24.148 25.466 35.988
164 HA VAL 23 HA VAL 23 21.435 26.392 36.124
165 HB VAL 23 HB VAL 23 23.081 25.808 34.169
166 HG11 VAL 23 HG11 VAL 23 22.505 23.772 32.812
167 HG12 VAL 23 HG12 VAL 23 23.114 23.376 34.417
168 HG13 VAL 23 HG13 VAL 23 21.355 23.268 34.104
169 HG21 VAL 23 HG21 VAL 23 20.916 26.988 33.794
170 HG22 VAL 23 HG22 VAL 23 20.943 25.696 32.653
171 HG23 VAL 23 HG23 VAL 23 20.084 25.416 34.194
172 H VAL 24 H VAL 24 22.843 23.279 36.825
173 HA VAL 24 HA VAL 24 20.106 22.236 36.632
174 HB VAL 24 HB VAL 24 22.159 20.872 36.134
175 HG11 VAL 24 HG11 VAL 24 23.220 19.559 37.858
176 HG12 VAL 24 HG12 VAL 24 23.057 21.192 38.669
177 HG13 VAL 24 HG13 VAL 24 21.924 19.916 38.997
178 HG21 VAL 24 HG21 VAL 24 19.892 19.507 37.570
179 HG22 VAL 24 HG22 VAL 24 20.164 19.978 35.805
180 HG23 VAL 24 HG23 VAL 24 21.153 18.819 36.571
181 H GLU 25 H GLU 25 22.140 23.292 39.304
182 HA GLU 25 HA GLU 25 20.069 22.552 41.238
183 HB2 GLU 25 HB2 GLU 25 22.563 24.210 41.299
184 HB3 GLU 25 HB3 GLU 25 21.391 24.217 42.664
185 HG2 GLU 25 HG2 GLU 25 22.709 21.654 41.492
186 HG3 GLU 25 HG3 GLU 25 23.642 22.631 42.544
187 H GLU 26 H GLU 26 20.884 25.604 39.495
188 HA GLU 26 HA GLU 26 18.979 27.147 40.768
189 HB2 GLU 26 HB2 GLU 26 20.254 27.266 37.965
190 HB3 GLU 26 HB3 GLU 26 19.167 28.489 38.509
191 HG2 GLU 26 HG2 GLU 26 21.644 27.889 39.920
192 HG3 GLU 26 HG3 GLU 26 21.285 29.237 38.793
193 H ALA 27 H ALA 27 18.459 24.745 38.140
194 HA ALA 27 HA ALA 27 15.765 25.406 37.552
195 HB1 ALA 27 HB1 ALA 27 17.264 22.773 37.576
196 HB2 ALA 27 HB2 ALA 27 15.606 23.053 36.785
197 HB3 ALA 27 HB3 ALA 27 17.158 23.719 36.122
198 H GLU 28 H GLU 28 17.102 23.664 40.340
199 HA GLU 28 HA GLU 28 14.564 23.054 41.549
200 HB2 GLU 28 HB2 GLU 28 17.284 23.212 42.755
201 HB3 GLU 28 HB3 GLU 28 15.885 22.477 43.495
202 HG2 GLU 28 HG2 GLU 28 16.851 21.339 40.831
203 HG3 GLU 28 HG3 GLU 28 17.564 20.784 42.395
204 H ASN 29 H ASN 29 16.331 26.132 41.513
205 HA ASN 29 HA ASN 29 15.871 27.031 44.266
206 HB2 ASN 29 HB2 ASN 29 17.906 27.335 42.906
207 HB3 ASN 29 HB3 ASN 29 17.037 28.491 41.878
208 HD21 ASN 29 HD22 ASN 29 18.994 29.489 42.716
209 HD22 ASN 29 HD21 ASN 29 18.871 30.454 44.231
Start of MODEL 18
1 H1 ACE 1 HH32 ACE 1 38.251 18.270 12.556
2 H2 ACE 1 HH33 ACE 1 38.402 17.600 14.156
3 H3 ACE 1 HH31 ACE 1 37.791 16.633 12.714
4 H SER 2 H SER 2 35.835 16.329 14.119
5 HA SER 2 HA SER 2 33.929 18.284 13.580
6 HB2 SER 2 HB2 SER 2 33.409 16.097 15.706
7 HB3 SER 2 HB3 SER 2 32.323 16.729 14.646
8 HG SER 2 HG SER 2 34.525 15.118 13.812
9 H ASP 3 H ASP 3 35.913 18.616 16.128
10 HA ASP 3 HA ASP 3 33.859 20.122 17.755
11 HB2 ASP 3 HB2 ASP 3 35.711 18.686 18.830
12 HB3 ASP 3 HB3 ASP 3 36.923 19.871 18.252
13 H ALA 4 H ALA 4 35.471 20.882 14.912
14 HA ALA 4 HA ALA 4 36.204 23.672 15.446
15 HB1 ALA 4 HB1 ALA 4 37.094 22.147 13.750
16 HB2 ALA 4 HB2 ALA 4 35.450 22.176 12.906
17 HB3 ALA 4 HB3 ALA 4 36.316 23.663 13.046
18 H ALA 5 H ALA 5 33.435 22.095 14.018
19 HA ALA 5 HA ALA 5 31.686 24.338 13.912
20 HB1 ALA 5 HB1 ALA 5 31.004 21.448 13.699
21 HB2 ALA 5 HB2 ALA 5 29.982 22.647 13.448
22 HB3 ALA 5 HB3 ALA 5 31.353 22.692 12.345
23 H VAL 6 H VAL 6 32.763 22.817 16.791
24 HA VAL 6 HA VAL 6 30.490 24.306 18.083
25 HB VAL 6 HB VAL 6 31.959 21.865 19.305
26 HG11 VAL 6 HG11 VAL 6 29.889 21.905 20.762
27 HG12 VAL 6 HG12 VAL 6 31.151 23.107 21.056
28 HG13 VAL 6 HG13 VAL 6 29.608 23.524 20.343
29 HG21 VAL 6 HG21 VAL 6 29.235 21.943 17.853
30 HG22 VAL 6 HG22 VAL 6 30.613 20.862 17.372
31 HG23 VAL 6 HG23 VAL 6 29.658 20.592 18.838
32 H ASP 7 H ASP 7 33.532 24.951 17.241
33 HA ASP 7 HA ASP 7 35.264 26.023 17.851
34 HB2 ASP 7 HB2 ASP 7 33.244 27.702 18.205
35 HB3 ASP 7 HB3 ASP 7 33.749 27.676 19.910
36 H THR 8 H THR 8 35.786 23.780 18.801
37 HA THR 8 HA THR 8 37.161 22.629 20.164
38 HB THR 8 HB THR 8 38.481 24.990 21.259
39 HG1 THR 8 HG1 THR 8 38.317 25.241 18.932
40 HG21 THR 8 HG21 THR 8 39.545 22.286 20.473
41 HG22 THR 8 HG22 THR 8 40.350 23.464 21.300
42 HG23 THR 8 HG23 THR 8 39.120 22.631 22.157
43 H SER 9 H SER 9 34.697 22.699 21.083
44 HA SER 9 HA SER 9 34.355 23.637 23.736
45 HB2 SER 9 HB2 SER 9 32.618 21.897 23.988
46 HB3 SER 9 HB3 SER 9 32.511 22.881 22.472
47 HG SER 9 HG SER 9 33.545 21.109 21.377
48 H SER 10 H SER 10 35.771 20.623 22.672
49 HA SER 10 HA SER 10 36.295 19.324 25.076
50 HB2 SER 10 HB2 SER 10 38.192 19.150 22.754
51 HB3 SER 10 HB3 SER 10 37.811 18.030 23.943
52 HG SER 10 HG SER 10 36.353 19.007 21.737
53 H GLU 11 H GLU 11 37.487 22.397 24.540
54 HA GLU 11 HA GLU 11 39.716 21.828 26.495
55 HB2 GLU 11 HB2 GLU 11 39.682 23.697 24.049
56 HB3 GLU 11 HB3 GLU 11 40.677 24.046 25.487
57 HG2 GLU 11 HG2 GLU 11 41.437 21.630 25.225
58 HG3 GLU 11 HG3 GLU 11 41.039 21.749 23.581
59 H ILE 12 H ILE 12 36.757 23.629 25.970
60 HA ILE 12 HA ILE 12 37.181 25.052 28.488
61 HB ILE 12 HB ILE 12 35.041 26.217 27.990
62 HG12 ILE 12 HG12 ILE 12 35.156 24.836 25.314
63 HG13 ILE 12 HG13 ILE 12 34.060 24.423 26.674
64 HG21 ILE 12 HG21 ILE 12 36.818 26.627 25.642
65 HG22 ILE 12 HG22 ILE 12 35.852 27.823 26.578
66 HG23 ILE 12 HG23 ILE 12 37.331 26.971 27.220
67 HD11 ILE 12 HD11 ILE 12 33.858 27.256 25.506
68 HD12 ILE 12 HD12 ILE 12 32.918 25.768 25.035
69 HD13 ILE 12 HD13 ILE 12 32.915 26.285 26.672
70 H THR 13 H THR 13 35.622 22.249 27.336
71 HA THR 13 HA THR 13 33.266 21.945 28.549
72 HB THR 13 HB THR 13 34.182 20.345 27.154
73 HG1 THR 13 HG1 THR 13 32.802 19.494 28.785
74 HG21 THR 13 HG21 THR 13 36.077 18.666 27.797
75 HG22 THR 13 HG22 THR 13 36.571 20.326 27.533
76 HG23 THR 13 HG23 THR 13 36.457 19.754 29.227
77 H THR 14 H THR 14 36.192 21.885 30.590
78 HA THR 14 HA THR 14 34.756 21.058 32.777
79 HB THR 14 HB THR 14 37.140 22.916 32.787
80 HG1 THR 14 HG1 THR 14 37.646 21.023 31.868
81 HG21 THR 14 HG21 THR 14 36.882 20.909 34.965
82 HG22 THR 14 HG22 THR 14 37.139 22.619 35.115
83 HG23 THR 14 HG23 THR 14 35.453 21.878 34.930
84 H LYS 15 H LYS 15 35.320 24.340 31.570
85 HA LYS 15 HA LYS 15 33.987 25.721 33.672
86 HB2 LYS 15 HB2 LYS 15 34.563 26.425 30.788
87 HB3 LYS 15 HB3 LYS 15 33.744 27.571 31.844
88 HG2 LYS 15 HG2 LYS 15 35.748 27.779 33.093
89 HG3 LYS 15 HG3 LYS 15 36.581 26.385 32.333
90 HD2 LYS 15 HD2 LYS 15 36.377 27.686 30.108
91 HD3 LYS 15 HD3 LYS 15 36.005 29.050 31.230
92 HE2 LYS 15 HE2 LYS 15 38.339 28.701 32.198
93 HE3 LYS 15 HE3 LYS 15 38.583 27.387 31.146
94 HZ1 LYS 15 HZ1 LYS 15 38.456 30.296 30.595
95 HZ2 LYS 15 HZ2 LYS 15 39.537 29.082 30.352
96 HZ3 LYS 15 HZ3 LYS 15 38.362 29.176 29.331
97 H ASP 16 H ASP 16 32.954 24.227 30.664
98 HA ASP 16 HA ASP 16 30.286 25.076 30.631
99 HB2 ASP 16 HB2 ASP 16 31.414 23.980 28.663
100 HB3 ASP 16 HB3 ASP 16 31.353 22.437 29.597
101 H LEU 17 H LEU 17 32.026 22.375 32.506
102 HA LEU 17 HA LEU 17 29.440 21.343 33.040
103 HB2 LEU 17 HB2 LEU 17 32.265 20.482 33.627
104 HB3 LEU 17 HB3 LEU 17 31.100 19.614 34.511
105 HG LEU 17 HG LEU 17 30.531 19.724 31.677
106 HD11 LEU 17 HD11 LEU 17 32.711 18.824 31.419
107 HD12 LEU 17 HD12 LEU 17 32.611 17.735 32.902
108 HD13 LEU 17 HD13 LEU 17 31.696 17.415 31.436
109 HD21 LEU 17 HD21 LEU 17 30.120 17.398 33.689
110 HD22 LEU 17 HD22 LEU 17 28.950 18.742 33.324
111 HD23 LEU 17 HD23 LEU 17 29.484 17.646 32.078
112 H LYS 18 H LYS 18 31.503 23.597 34.673
113 HA LYS 18 HA LYS 18 29.989 23.548 37.240
114 HB2 LYS 18 HB2 LYS 18 31.756 25.821 36.170
115 HB3 LYS 18 HB3 LYS 18 30.864 25.899 37.605
116 HG2 LYS 18 HG2 LYS 18 33.040 25.235 38.372
117 HG3 LYS 18 HG3 LYS 18 32.037 23.772 38.404
118 HD2 LYS 18 HD2 LYS 18 33.280 23.064 36.339
119 HD3 LYS 18 HD3 LYS 18 34.065 24.617 36.239
120 HE2 LYS 18 HE2 LYS 18 34.620 22.564 38.247
121 HE3 LYS 18 HE3 LYS 18 35.716 23.211 36.962
122 HZ1 LYS 18 HZ1 LYS 18 35.656 25.309 38.396
123 HZ2 LYS 18 HZ2 LYS 18 34.788 24.347 39.455
124 HZ3 LYS 18 HZ3 LYS 18 36.233 23.885 39.187
125 H GLU 19 H GLU 19 29.542 24.775 34.062
126 HA GLU 19 HA GLU 19 27.196 26.429 34.725
127 HB2 GLU 19 HB2 GLU 19 28.292 25.609 32.055
128 HB3 GLU 19 HB3 GLU 19 26.649 26.346 32.196
129 HG2 GLU 19 HG2 GLU 19 27.595 28.358 33.262
130 HG3 GLU 19 HG3 GLU 19 29.201 27.730 33.062
131 H LYS 20 H LYS 20 27.684 23.121 33.389
132 HA LYS 20 HA LYS 20 24.975 22.483 33.484
133 HB2 LYS 20 HB2 LYS 20 27.408 20.727 33.853
134 HB3 LYS 20 HB3 LYS 20 25.807 20.151 33.770
135 HG2 LYS 20 HG2 LYS 20 27.464 21.634 31.597
136 HG3 LYS 20 HG3 LYS 20 26.932 19.942 31.611
137 HD2 LYS 20 HD2 LYS 20 24.560 20.606 31.338
138 HD3 LYS 20 HD3 LYS 20 25.148 22.309 31.170
139 HE2 LYS 20 HE2 LYS 20 26.160 20.101 29.473
140 HE3 LYS 20 HE3 LYS 20 24.648 20.828 29.053
141 HZ1 LYS 20 HZ1 LYS 20 26.052 22.935 28.811
142 HZ2 LYS 20 HZ2 LYS 20 27.285 21.897 29.101
143 HZ3 LYS 20 HZ3 LYS 20 26.209 21.787 27.800
144 H LYS 21 H LYS 21 27.073 23.021 36.138
145 HA LYS 21 HA LYS 21 25.508 21.401 37.999
146 HB2 LYS 21 HB2 LYS 21 28.195 22.661 38.242
147 HB3 LYS 21 HB3 LYS 21 27.346 22.141 39.667
148 HG2 LYS 21 HG2 LYS 21 26.930 19.871 38.312
149 HG3 LYS 21 HG3 LYS 21 28.273 20.550 37.337
150 HD2 LYS 21 HD2 LYS 21 29.637 20.735 39.374
151 HD3 LYS 21 HD3 LYS 21 28.331 19.845 40.263
152 HE2 LYS 21 HE2 LYS 21 28.518 18.026 38.763
153 HE3 LYS 21 HE3 LYS 21 29.921 18.622 37.961
154 HZ1 LYS 21 HZ1 LYS 21 30.965 18.666 40.365
155 HZ2 LYS 21 HZ2 LYS 21 29.796 17.626 40.729
156 HZ3 LYS 21 HZ3 LYS 21 30.859 17.261 39.541
157 H GLU 22 H GLU 22 25.637 24.343 36.805
158 HA GLU 22 HA GLU 22 24.937 25.906 39.177
159 HB2 GLU 22 HB2 GLU 22 26.728 27.046 38.074
160 HB3 GLU 22 HB3 GLU 22 25.914 26.847 36.568
161 HG2 GLU 22 HG2 GLU 22 24.095 28.527 37.561
162 HG3 GLU 22 HG3 GLU 22 24.914 28.391 39.081
163 H VAL 23 H VAL 23 24.010 25.761 35.762
164 HA VAL 23 HA VAL 23 21.329 26.414 35.777
165 HB VAL 23 HB VAL 23 22.954 25.690 33.858
166 HG11 VAL 23 HG11 VAL 23 22.576 23.450 32.846
167 HG12 VAL 23 HG12 VAL 23 23.348 23.318 34.470
168 HG13 VAL 23 HG13 VAL 23 21.553 22.946 34.121
169 HG21 VAL 23 HG21 VAL 23 20.577 26.415 33.699
170 HG22 VAL 23 HG22 VAL 23 21.047 25.321 32.299
171 HG23 VAL 23 HG23 VAL 23 20.079 24.670 33.559
172 H VAL 24 H VAL 24 22.794 23.441 36.573
173 HA VAL 24 HA VAL 24 20.215 22.028 36.744
174 HB VAL 24 HB VAL 24 22.470 21.086 36.130
175 HG11 VAL 24 HG11 VAL 24 23.481 19.904 38.026
176 HG12 VAL 24 HG12 VAL 24 23.573 21.626 38.218
177 HG13 VAL 24 HG13 VAL 24 22.503 20.787 39.275
178 HG21 VAL 24 HG21 VAL 24 21.761 18.867 36.480
179 HG22 VAL 24 HG22 VAL 24 20.623 19.335 37.834
180 HG23 VAL 24 HG23 VAL 24 20.265 19.697 36.187
181 H GLU 25 H GLU 25 22.100 23.642 39.133
182 HA GLU 25 HA GLU 25 20.370 22.851 41.444
183 HB2 GLU 25 HB2 GLU 25 22.630 24.903 41.230
184 HB3 GLU 25 HB3 GLU 25 21.721 24.590 42.661
185 HG2 GLU 25 HG2 GLU 25 23.031 22.231 41.367
186 HG3 GLU 25 HG3 GLU 25 24.035 23.482 42.113
187 H GLU 26 H GLU 26 20.769 25.604 39.399
188 HA GLU 26 HA GLU 26 18.722 27.351 40.475
189 HB2 GLU 26 HB2 GLU 26 19.707 27.216 37.588
190 HB3 GLU 26 HB3 GLU 26 18.613 28.286 38.254
191 HG2 GLU 26 HG2 GLU 26 21.562 28.237 38.680
192 HG3 GLU 26 HG3 GLU 26 20.598 29.554 38.145
193 H ALA 27 H ALA 27 18.423 24.709 38.160
194 HA ALA 27 HA ALA 27 15.722 25.248 37.628
195 HB1 ALA 27 HB1 ALA 27 17.059 22.489 37.649
196 HB2 ALA 27 HB2 ALA 27 15.606 22.855 36.794
197 HB3 ALA 27 HB3 ALA 27 17.210 23.676 36.324
198 H GLU 28 H GLU 28 17.097 24.096 40.462
199 HA GLU 28 HA GLU 28 14.601 23.168 41.667
200 HB2 GLU 28 HB2 GLU 28 17.468 22.973 42.797
201 HB3 GLU 28 HB3 GLU 28 16.016 22.525 43.626
202 HG2 GLU 28 HG2 GLU 28 16.498 21.118 40.897
203 HG3 GLU 28 HG3 GLU 28 17.372 20.601 42.280
204 H ASN 29 H ASN 29 16.424 26.032 41.366
205 HA ASN 29 HA ASN 29 15.993 27.244 43.973
206 HB2 ASN 29 HB2 ASN 29 17.833 27.548 42.423
207 HB3 ASN 29 HB3 ASN 29 16.722 28.486 41.342
208 HD21 ASN 29 HD22 ASN 29 18.188 30.315 41.674
209 HD22 ASN 29 HD21 ASN 29 17.978 31.324 43.107
Start of MODEL 19
1 H1 ACE 1 HH32 ACE 1 38.925 15.956 13.667
2 H2 ACE 1 HH33 ACE 1 38.331 14.538 14.652
3 H3 ACE 1 HH31 ACE 1 37.856 14.870 12.924
4 H SER 2 H SER 2 35.691 14.555 14.367
5 HA SER 2 HA SER 2 34.454 16.961 13.570
6 HB2 SER 2 HB2 SER 2 33.000 15.038 15.531
7 HB3 SER 2 HB3 SER 2 32.534 15.745 13.959
8 HG SER 2 HG SER 2 32.981 13.612 13.488
9 H ASP 3 H ASP 3 35.536 16.331 16.943
10 HA ASP 3 HA ASP 3 33.975 18.589 17.960
11 HB2 ASP 3 HB2 ASP 3 34.573 16.752 19.332
12 HB3 ASP 3 HB3 ASP 3 36.317 17.075 19.086
13 H ALA 4 H ALA 4 37.370 18.415 16.630
14 HA ALA 4 HA ALA 4 38.328 20.881 17.264
15 HB1 ALA 4 HB1 ALA 4 39.781 20.422 15.396
16 HB2 ALA 4 HB2 ALA 4 39.250 18.822 16.028
17 HB3 ALA 4 HB3 ALA 4 38.495 19.431 14.591
18 H ALA 5 H ALA 5 35.715 20.390 14.915
19 HA ALA 5 HA ALA 5 35.710 23.243 14.056
20 HB1 ALA 5 HB1 ALA 5 34.788 21.569 12.586
21 HB2 ALA 5 HB2 ALA 5 33.544 21.017 13.786
22 HB3 ALA 5 HB3 ALA 5 33.578 22.688 13.065
23 H VAL 6 H VAL 6 34.701 21.688 17.017
24 HA VAL 6 HA VAL 6 33.540 24.318 17.765
25 HB VAL 6 HB VAL 6 33.440 21.575 19.180
26 HG11 VAL 6 HG11 VAL 6 31.656 23.956 19.381
27 HG12 VAL 6 HG12 VAL 6 31.228 22.519 20.246
28 HG13 VAL 6 HG13 VAL 6 32.608 23.559 20.661
29 HG21 VAL 6 HG21 VAL 6 31.311 22.624 17.309
30 HG22 VAL 6 HG22 VAL 6 32.437 21.098 17.099
31 HG23 VAL 6 HG23 VAL 6 31.224 21.153 18.331
32 H ASP 7 H ASP 7 36.187 23.590 17.322
33 HA ASP 7 HA ASP 7 38.208 23.684 18.049
34 HB2 ASP 7 HB2 ASP 7 37.480 26.003 18.326
35 HB3 ASP 7 HB3 ASP 7 37.371 25.712 20.064
36 H THR 8 H THR 8 36.836 21.524 19.232
37 HA THR 8 HA THR 8 37.240 19.778 20.626
38 HB THR 8 HB THR 8 39.770 21.005 21.632
39 HG1 THR 8 HG1 THR 8 40.916 20.039 20.018
40 HG21 THR 8 HG21 THR 8 39.144 18.149 20.927
41 HG22 THR 8 HG22 THR 8 40.581 18.741 21.767
42 HG23 THR 8 HG23 THR 8 39.037 18.894 22.596
43 H SER 9 H SER 9 35.413 20.524 21.589
44 HA SER 9 HA SER 9 35.448 22.032 24.034
45 HB2 SER 9 HB2 SER 9 33.172 21.271 24.441
46 HB3 SER 9 HB3 SER 9 33.290 21.868 22.767
47 HG SER 9 HG SER 9 33.613 19.616 22.118
48 H SER 10 H SER 10 36.128 18.836 23.277
49 HA SER 10 HA SER 10 35.967 17.569 25.958
50 HB2 SER 10 HB2 SER 10 37.849 16.929 23.726
51 HB3 SER 10 HB3 SER 10 37.433 15.901 25.008
52 HG SER 10 HG SER 10 35.883 16.884 22.840
53 H GLU 11 H GLU 11 38.315 19.976 24.636
54 HA GLU 11 HA GLU 11 40.095 19.497 27.019
55 HB2 GLU 11 HB2 GLU 11 40.281 21.739 24.975
56 HB3 GLU 11 HB3 GLU 11 41.342 21.294 26.226
57 HG2 GLU 11 HG2 GLU 11 42.057 19.171 25.084
58 HG3 GLU 11 HG3 GLU 11 41.008 19.651 23.753
59 H ILE 12 H ILE 12 37.921 22.051 26.095
60 HA ILE 12 HA ILE 12 38.251 23.367 28.631
61 HB ILE 12 HB ILE 12 36.896 25.169 27.601
62 HG12 ILE 12 HG12 ILE 12 36.071 24.221 25.137
63 HG13 ILE 12 HG13 ILE 12 35.553 23.019 26.279
64 HG21 ILE 12 HG21 ILE 12 37.948 25.685 25.596
65 HG22 ILE 12 HG22 ILE 12 39.136 24.855 26.665
66 HG23 ILE 12 HG23 ILE 12 38.380 24.045 25.245
67 HD11 ILE 12 HD11 ILE 12 33.848 24.661 25.791
68 HD12 ILE 12 HD12 ILE 12 34.059 24.432 27.480
69 HD13 ILE 12 HD13 ILE 12 34.762 25.874 26.761
70 H THR 13 H THR 13 35.800 21.043 27.824
71 HA THR 13 HA THR 13 33.497 21.599 28.893
72 HB THR 13 HB THR 13 33.992 19.479 27.873
73 HG1 THR 13 HG1 THR 13 32.519 19.418 29.658
74 HG21 THR 13 HG21 THR 13 35.463 17.928 28.342
75 HG22 THR 13 HG22 THR 13 36.355 19.483 28.549
76 HG23 THR 13 HG23 THR 13 35.818 18.705 29.995
77 H THR 14 H THR 14 36.253 21.289 31.168
78 HA THR 14 HA THR 14 34.336 20.852 33.277
79 HB THR 14 HB THR 14 36.758 22.412 34.124
80 HG1 THR 14 HG1 THR 14 37.401 20.784 32.562
81 HG21 THR 14 HG21 THR 14 35.190 19.977 35.197
82 HG22 THR 14 HG22 THR 14 36.348 21.052 35.995
83 HG23 THR 14 HG23 THR 14 34.780 21.711 35.550
84 H LYS 15 H LYS 15 35.482 23.849 31.880
85 HA LYS 15 HA LYS 15 34.021 25.669 33.374
86 HB2 LYS 15 HB2 LYS 15 34.507 25.807 30.224
87 HB3 LYS 15 HB3 LYS 15 34.350 27.090 31.397
88 HG2 LYS 15 HG2 LYS 15 36.498 26.340 32.549
89 HG3 LYS 15 HG3 LYS 15 36.769 25.216 31.385
90 HD2 LYS 15 HD2 LYS 15 38.062 27.202 30.966
91 HD3 LYS 15 HD3 LYS 15 36.915 27.068 29.660
92 HE2 LYS 15 HE2 LYS 15 35.467 28.671 30.484
93 HE3 LYS 15 HE3 LYS 15 36.222 28.711 32.099
94 HZ1 LYS 15 HZ1 LYS 15 37.069 29.783 29.547
95 HZ2 LYS 15 HZ2 LYS 15 36.766 30.611 30.739
96 HZ3 LYS 15 HZ3 LYS 15 38.186 29.701 30.728
97 H ASP 16 H ASP 16 32.829 23.734 30.635
98 HA ASP 16 HA ASP 16 30.188 24.955 30.454
99 HB2 ASP 16 HB2 ASP 16 31.423 23.700 28.586
100 HB3 ASP 16 HB3 ASP 16 31.120 22.223 29.512
101 H LEU 17 H LEU 17 31.749 22.363 32.484
102 HA LEU 17 HA LEU 17 29.111 21.344 33.277
103 HB2 LEU 17 HB2 LEU 17 31.867 20.592 34.068
104 HB3 LEU 17 HB3 LEU 17 30.484 19.893 34.900
105 HG LEU 17 HG LEU 17 30.801 19.769 31.828
106 HD11 LEU 17 HD11 LEU 17 32.621 18.570 33.035
107 HD12 LEU 17 HD12 LEU 17 31.357 17.666 33.985
108 HD13 LEU 17 HD13 LEU 17 31.500 17.357 32.354
109 HD21 LEU 17 HD21 LEU 17 29.042 18.482 33.994
110 HD22 LEU 17 HD22 LEU 17 28.537 19.365 32.437
111 HD23 LEU 17 HD23 LEU 17 29.226 17.747 32.381
112 H LYS 18 H LYS 18 31.567 23.612 34.651
113 HA LYS 18 HA LYS 18 30.136 24.222 36.941
114 HB2 LYS 18 HB2 LYS 18 32.043 25.680 35.109
115 HB3 LYS 18 HB3 LYS 18 31.179 26.635 36.085
116 HG2 LYS 18 HG2 LYS 18 33.209 26.356 36.985
117 HG3 LYS 18 HG3 LYS 18 32.183 25.491 38.169
118 HD2 LYS 18 HD2 LYS 18 32.972 23.281 37.193
119 HD3 LYS 18 HD3 LYS 18 33.996 24.316 36.123
120 HE2 LYS 18 HE2 LYS 18 34.237 24.550 39.142
121 HE3 LYS 18 HE3 LYS 18 35.080 23.276 38.199
122 HZ1 LYS 18 HZ1 LYS 18 36.474 25.152 38.456
123 HZ2 LYS 18 HZ2 LYS 18 36.129 24.889 36.982
124 HZ3 LYS 18 HZ3 LYS 18 35.517 26.169 37.835
125 H GLU 19 H GLU 19 29.439 24.868 33.586
126 HA GLU 19 HA GLU 19 27.288 26.796 34.222
127 HB2 GLU 19 HB2 GLU 19 28.281 25.668 31.726
128 HB3 GLU 19 HB3 GLU 19 26.650 25.536 31.776
129 HG2 GLU 19 HG2 GLU 19 26.551 28.095 32.528
130 HG3 GLU 19 HG3 GLU 19 28.240 28.099 32.304
131 H LYS 20 H LYS 20 27.451 23.361 33.160
132 HA LYS 20 HA LYS 20 24.618 23.015 33.488
133 HB2 LYS 20 HB2 LYS 20 26.610 20.713 33.762
134 HB3 LYS 20 HB3 LYS 20 24.931 20.619 33.447
135 HG2 LYS 20 HG2 LYS 20 26.970 21.637 31.605
136 HG3 LYS 20 HG3 LYS 20 25.902 20.201 31.382
137 HD2 LYS 20 HD2 LYS 20 23.892 21.894 31.299
138 HD3 LYS 20 HD3 LYS 20 25.055 23.115 31.171
139 HE2 LYS 20 HE2 LYS 20 25.056 20.598 29.353
140 HE3 LYS 20 HE3 LYS 20 24.039 21.944 28.979
141 HZ1 LYS 20 HZ1 LYS 20 25.939 23.405 28.765
142 HZ2 LYS 20 HZ2 LYS 20 26.988 22.173 29.000
143 HZ3 LYS 20 HZ3 LYS 20 25.986 22.157 27.743
144 H LYS 21 H LYS 21 27.077 22.572 35.915
145 HA LYS 21 HA LYS 21 25.082 21.547 37.868
146 HB2 LYS 21 HB2 LYS 21 28.121 22.063 38.167
147 HB3 LYS 21 HB3 LYS 21 27.160 21.549 39.413
148 HG2 LYS 21 HG2 LYS 21 27.031 20.163 36.713
149 HG3 LYS 21 HG3 LYS 21 28.257 19.778 37.896
150 HD2 LYS 21 HD2 LYS 21 26.418 19.071 39.546
151 HD3 LYS 21 HD3 LYS 21 25.249 19.350 38.131
152 HE2 LYS 21 HE2 LYS 21 26.449 17.591 36.902
153 HE3 LYS 21 HE3 LYS 21 27.807 17.737 37.949
154 HZ1 LYS 21 HZ1 LYS 21 25.211 16.884 38.976
155 HZ2 LYS 21 HZ2 LYS 21 26.361 15.778 38.497
156 HZ3 LYS 21 HZ3 LYS 21 26.600 16.792 39.717
157 H GLU 22 H GLU 22 25.772 24.439 36.830
158 HA GLU 22 HA GLU 22 24.990 26.023 39.280
159 HB2 GLU 22 HB2 GLU 22 26.903 26.994 38.321
160 HB3 GLU 22 HB3 GLU 22 26.015 27.378 36.835
161 HG2 GLU 22 HG2 GLU 22 24.340 28.669 38.374
162 HG3 GLU 22 HG3 GLU 22 25.241 28.259 39.731
163 H VAL 23 H VAL 23 24.207 25.948 35.680
164 HA VAL 23 HA VAL 23 21.558 26.819 35.900
165 HB VAL 23 HB VAL 23 23.129 26.020 33.823
166 HG11 VAL 23 HG11 VAL 23 23.018 23.672 34.278
167 HG12 VAL 23 HG12 VAL 23 21.257 23.671 33.908
168 HG13 VAL 23 HG13 VAL 23 22.390 24.102 32.683
169 HG21 VAL 23 HG21 VAL 23 20.934 27.268 33.401
170 HG22 VAL 23 HG22 VAL 23 21.098 25.988 32.306
171 HG23 VAL 23 HG23 VAL 23 19.982 25.795 33.710
172 H VAL 24 H VAL 24 22.932 23.810 36.630
173 HA VAL 24 HA VAL 24 20.174 22.725 36.888
174 HB VAL 24 HB VAL 24 21.854 21.182 35.867
175 HG11 VAL 24 HG11 VAL 24 21.717 20.030 38.796
176 HG12 VAL 24 HG12 VAL 24 22.833 19.386 37.640
177 HG13 VAL 24 HG13 VAL 24 23.192 20.936 38.312
178 HG21 VAL 24 HG21 VAL 24 19.709 20.316 37.645
179 HG22 VAL 24 HG22 VAL 24 19.638 20.826 36.008
180 HG23 VAL 24 HG23 VAL 24 20.585 19.354 36.348
181 H GLU 25 H GLU 25 22.165 24.249 38.846
182 HA GLU 25 HA GLU 25 20.878 23.459 41.446
183 HB2 GLU 25 HB2 GLU 25 23.184 23.486 41.596
184 HB3 GLU 25 HB3 GLU 25 23.223 25.150 40.899
185 HG2 GLU 25 HG2 GLU 25 21.906 25.846 42.696
186 HG3 GLU 25 HG3 GLU 25 22.009 24.241 43.547
187 H GLU 26 H GLU 26 20.734 26.034 39.011
188 HA GLU 26 HA GLU 26 18.942 27.722 40.813
189 HB2 GLU 26 HB2 GLU 26 20.564 28.634 39.051
190 HB3 GLU 26 HB3 GLU 26 19.505 27.818 37.855
191 HG2 GLU 26 HG2 GLU 26 17.787 29.204 38.049
192 HG3 GLU 26 HG3 GLU 26 17.996 29.512 39.791
193 H ALA 27 H ALA 27 18.707 25.208 38.379
194 HA ALA 27 HA ALA 27 15.904 25.369 37.878
195 HB1 ALA 27 HB1 ALA 27 17.286 24.271 36.277
196 HB2 ALA 27 HB2 ALA 27 17.899 23.104 37.590
197 HB3 ALA 27 HB3 ALA 27 16.280 22.963 36.851
198 H GLU 28 H GLU 28 17.549 24.156 40.589
199 HA GLU 28 HA GLU 28 15.706 22.049 41.502
200 HB2 GLU 28 HB2 GLU 28 17.903 23.506 42.880
201 HB3 GLU 28 HB3 GLU 28 16.666 22.562 43.763
202 HG2 GLU 28 HG2 GLU 28 17.188 20.541 42.346
203 HG3 GLU 28 HG3 GLU 28 18.460 21.419 41.494
204 H ASN 29 H ASN 29 16.188 25.383 42.079
205 HA ASN 29 HA ASN 29 14.461 25.877 44.379
206 HB2 ASN 29 HB2 ASN 29 16.501 27.551 43.699
207 HB3 ASN 29 HB3 ASN 29 15.338 28.004 42.450
208 HD21 ASN 29 HD22 ASN 29 14.115 29.697 43.109
209 HD22 ASN 29 HD21 ASN 29 13.855 30.227 44.750
Start of MODEL 20
1 H1 ACE 1 HH32 ACE 1 33.515 16.186 14.267
2 H2 ACE 1 HH33 ACE 1 33.790 15.172 15.767
3 H3 ACE 1 HH31 ACE 1 32.584 14.695 14.726
4 H SER 2 H SER 2 31.984 14.862 17.155
5 HA SER 2 HA SER 2 29.673 16.406 17.286
6 HB2 SER 2 HB2 SER 2 31.095 14.848 19.479
7 HB3 SER 2 HB3 SER 2 29.362 15.433 19.377
8 HG SER 2 HG SER 2 29.632 13.245 18.575
9 H ASP 3 H ASP 3 32.914 16.988 18.336
10 HA ASP 3 HA ASP 3 32.281 19.266 20.119
11 HB2 ASP 3 HB2 ASP 3 33.426 17.538 21.133
12 HB3 ASP 3 HB3 ASP 3 34.832 17.829 19.979
13 H ALA 4 H ALA 4 33.901 18.515 17.055
14 HA ALA 4 HA ALA 4 34.941 21.207 16.547
15 HB1 ALA 4 HB1 ALA 4 33.739 19.361 14.471
16 HB2 ALA 4 HB2 ALA 4 34.824 20.665 14.248
17 HB3 ALA 4 HB3 ALA 4 35.364 19.230 15.154
18 H ALA 5 H ALA 5 31.711 19.798 16.195
19 HA ALA 5 HA ALA 5 30.225 22.178 15.232
20 HB1 ALA 5 HB1 ALA 5 29.292 19.849 17.003
21 HB2 ALA 5 HB2 ALA 5 28.343 20.779 15.709
22 HB3 ALA 5 HB3 ALA 5 29.571 19.861 15.250
23 H VAL 6 H VAL 6 31.620 21.521 18.314
24 HA VAL 6 HA VAL 6 30.293 23.896 19.477
25 HB VAL 6 HB VAL 6 31.621 21.775 21.274
26 HG11 VAL 6 HG11 VAL 6 29.534 22.643 22.655
27 HG12 VAL 6 HG12 VAL 6 30.788 23.905 22.301
28 HG13 VAL 6 HG13 VAL 6 29.198 23.692 21.315
29 HG21 VAL 6 HG21 VAL 6 28.818 21.580 20.638
30 HG22 VAL 6 HG22 VAL 6 30.238 20.651 19.838
31 HG23 VAL 6 HG23 VAL 6 29.937 20.459 21.520
32 H ASP 7 H ASP 7 32.956 23.637 17.849
33 HA ASP 7 HA ASP 7 34.656 24.809 17.406
34 HB2 ASP 7 HB2 ASP 7 33.197 26.720 18.261
35 HB3 ASP 7 HB3 ASP 7 34.107 26.624 19.669
36 H THR 8 H THR 8 35.118 22.544 18.862
37 HA THR 8 HA THR 8 36.483 21.311 19.971
38 HB THR 8 HB THR 8 38.582 23.392 19.654
39 HG1 THR 8 HG1 THR 8 37.649 22.859 17.691
40 HG21 THR 8 HG21 THR 8 39.275 21.275 21.032
41 HG22 THR 8 HG22 THR 8 38.853 20.393 19.638
42 HG23 THR 8 HG23 THR 8 40.194 21.508 19.448
43 H SER 9 H SER 9 34.898 21.993 21.709
44 HA SER 9 HA SER 9 35.865 23.710 23.797
45 HB2 SER 9 HB2 SER 9 33.849 23.749 24.620
46 HB3 SER 9 HB3 SER 9 33.643 23.635 22.971
47 HG SER 9 HG SER 9 33.271 21.348 23.007
48 H SER 10 H SER 10 36.470 20.429 23.110
49 HA SER 10 HA SER 10 36.279 19.256 25.586
50 HB2 SER 10 HB2 SER 10 38.526 19.023 23.382
51 HB3 SER 10 HB3 SER 10 38.372 17.907 24.646
52 HG SER 10 HG SER 10 36.433 18.428 22.706
53 H GLU 11 H GLU 11 38.476 21.755 24.842
54 HA GLU 11 HA GLU 11 40.437 21.276 27.084
55 HB2 GLU 11 HB2 GLU 11 39.910 23.894 25.478
56 HB3 GLU 11 HB3 GLU 11 41.067 23.712 26.720
57 HG2 GLU 11 HG2 GLU 11 41.932 21.598 25.249
58 HG3 GLU 11 HG3 GLU 11 40.621 22.109 24.192
59 H ILE 12 H ILE 12 37.755 23.300 26.537
60 HA ILE 12 HA ILE 12 37.903 24.280 29.331
61 HB ILE 12 HB ILE 12 36.339 26.171 28.559
62 HG12 ILE 12 HG12 ILE 12 36.249 24.853 25.860
63 HG13 ILE 12 HG13 ILE 12 35.156 24.163 27.095
64 HG21 ILE 12 HG21 ILE 12 38.671 26.477 27.835
65 HG22 ILE 12 HG22 ILE 12 38.236 25.648 26.283
66 HG23 ILE 12 HG23 ILE 12 37.426 27.125 26.684
67 HD11 ILE 12 HD11 ILE 12 35.119 27.189 26.238
68 HD12 ILE 12 HD12 ILE 12 33.908 25.891 25.743
69 HD13 ILE 12 HD13 ILE 12 34.143 26.314 27.441
70 H THR 13 H THR 13 36.131 21.822 27.880
71 HA THR 13 HA THR 13 33.615 21.895 28.778
72 HB THR 13 HB THR 13 34.634 20.146 27.462
73 HG1 THR 13 HG1 THR 13 32.680 19.610 28.298
74 HG21 THR 13 HG21 THR 13 35.756 18.169 28.701
75 HG22 THR 13 HG22 THR 13 36.661 19.744 28.700
76 HG23 THR 13 HG23 THR 13 35.899 19.277 30.138
77 H THR 14 H THR 14 36.109 21.665 31.301
78 HA THR 14 HA THR 14 34.170 20.739 33.270
79 HB THR 14 HB THR 14 36.803 22.364 33.656
80 HG1 THR 14 HG1 THR 14 37.896 20.513 33.621
81 HG21 THR 14 HG21 THR 14 34.865 20.999 35.559
82 HG22 THR 14 HG22 THR 14 36.607 21.100 35.969
83 HG23 THR 14 HG23 THR 14 35.587 22.527 35.785
84 H LYS 15 H LYS 15 35.383 23.789 32.157
85 HA LYS 15 HA LYS 15 33.839 25.566 33.874
86 HB2 LYS 15 HB2 LYS 15 34.750 26.173 31.045
87 HB3 LYS 15 HB3 LYS 15 34.423 27.366 32.331
88 HG2 LYS 15 HG2 LYS 15 36.521 26.626 33.551
89 HG3 LYS 15 HG3 LYS 15 36.875 25.555 32.199
90 HD2 LYS 15 HD2 LYS 15 37.407 27.398 30.764
91 HD3 LYS 15 HD3 LYS 15 36.511 28.603 31.742
92 HE2 LYS 15 HE2 LYS 15 38.275 28.419 33.486
93 HE3 LYS 15 HE3 LYS 15 39.025 27.184 32.556
94 HZ1 LYS 15 HZ1 LYS 15 38.481 29.791 31.452
95 HZ2 LYS 15 HZ2 LYS 15 40.008 29.428 32.100
96 HZ3 LYS 15 HZ3 LYS 15 39.280 28.749 30.715
97 H ASP 16 H ASP 16 33.049 23.699 30.909
98 HA ASP 16 HA ASP 16 30.501 25.098 30.641
99 HB2 ASP 16 HB2 ASP 16 31.527 24.172 28.630
100 HB3 ASP 16 HB3 ASP 16 31.498 22.517 29.272
101 H LEU 17 H LEU 17 31.827 22.411 32.486
102 HA LEU 17 HA LEU 17 29.055 21.492 32.863
103 HB2 LEU 17 HB2 LEU 17 31.776 20.336 33.589
104 HB3 LEU 17 HB3 LEU 17 30.186 19.514 34.100
105 HG LEU 17 HG LEU 17 30.664 20.284 31.172
106 HD11 LEU 17 HD11 LEU 17 31.600 17.722 32.589
107 HD12 LEU 17 HD12 LEU 17 31.303 17.968 30.828
108 HD13 LEU 17 HD13 LEU 17 32.579 18.897 31.639
109 HD21 LEU 17 HD21 LEU 17 29.182 18.494 30.922
110 HD22 LEU 17 HD22 LEU 17 29.172 18.041 32.619
111 HD23 LEU 17 HD23 LEU 17 28.427 19.565 32.197
112 H LYS 18 H LYS 18 31.335 23.483 34.670
113 HA LYS 18 HA LYS 18 29.600 23.596 37.033
114 HB2 LYS 18 HB2 LYS 18 31.879 25.188 35.910
115 HB3 LYS 18 HB3 LYS 18 30.976 26.025 37.200
116 HG2 LYS 18 HG2 LYS 18 32.602 25.200 38.421
117 HG3 LYS 18 HG3 LYS 18 31.419 23.942 38.651
118 HD2 LYS 18 HD2 LYS 18 32.237 22.479 36.936
119 HD3 LYS 18 HD3 LYS 18 33.648 23.578 36.655
120 HE2 LYS 18 HE2 LYS 18 32.834 21.842 39.000
121 HE3 LYS 18 HE3 LYS 18 34.368 21.893 38.150
122 HZ1 LYS 18 HZ1 LYS 18 34.888 23.881 39.053
123 HZ2 LYS 18 HZ2 LYS 18 33.499 24.119 39.833
124 HZ3 LYS 18 HZ3 LYS 18 34.560 22.910 40.398
125 H GLU 19 H GLU 19 29.604 25.111 33.973
126 HA GLU 19 HA GLU 19 27.403 26.750 34.599
127 HB2 GLU 19 HB2 GLU 19 28.977 26.652 32.632
128 HB3 GLU 19 HB3 GLU 19 27.812 25.637 31.772
129 HG2 GLU 19 HG2 GLU 19 26.059 27.086 32.009
130 HG3 GLU 19 HG3 GLU 19 26.925 28.237 32.987
131 H LYS 20 H LYS 20 27.645 23.539 33.121
132 HA LYS 20 HA LYS 20 24.838 22.945 33.192
133 HB2 LYS 20 HB2 LYS 20 27.176 20.976 33.263
134 HB3 LYS 20 HB3 LYS 20 25.529 20.529 33.057
135 HG2 LYS 20 HG2 LYS 20 27.118 22.326 31.183
136 HG3 LYS 20 HG3 LYS 20 26.885 20.679 30.856
137 HD2 LYS 20 HD2 LYS 20 24.383 21.104 30.899
138 HD3 LYS 20 HD3 LYS 20 24.795 22.808 30.986
139 HE2 LYS 20 HE2 LYS 20 25.228 20.780 28.735
140 HE3 LYS 20 HE3 LYS 20 24.312 22.206 28.492
141 HZ1 LYS 20 HZ1 LYS 20 26.359 23.541 28.417
142 HZ2 LYS 20 HZ2 LYS 20 27.218 22.275 29.003
143 HZ3 LYS 20 HZ3 LYS 20 26.601 22.250 27.486
144 H LYS 21 H LYS 21 26.729 23.198 35.776
145 HA LYS 21 HA LYS 21 25.131 21.500 37.713
146 HB2 LYS 21 HB2 LYS 21 27.843 22.856 37.925
147 HB3 LYS 21 HB3 LYS 21 27.009 22.256 39.386
148 HG2 LYS 21 HG2 LYS 21 26.927 20.050 38.558
149 HG3 LYS 21 HG3 LYS 21 27.462 20.419 36.996
150 HD2 LYS 21 HD2 LYS 21 29.727 21.210 38.100
151 HD3 LYS 21 HD3 LYS 21 29.051 20.706 39.697
152 HE2 LYS 21 HE2 LYS 21 28.674 18.528 37.677
153 HE3 LYS 21 HE3 LYS 21 30.285 19.083 37.629
154 HZ1 LYS 21 HZ1 LYS 21 29.982 17.321 39.262
155 HZ2 LYS 21 HZ2 LYS 21 30.337 18.665 40.012
156 HZ3 LYS 21 HZ3 LYS 21 28.788 18.088 40.005
157 H GLU 22 H GLU 22 25.413 24.550 36.492
158 HA GLU 22 HA GLU 22 24.649 25.846 39.017
159 HB2 GLU 22 HB2 GLU 22 26.596 26.907 38.087
160 HB3 GLU 22 HB3 GLU 22 25.851 26.949 36.445
161 HG2 GLU 22 HG2 GLU 22 24.306 28.597 37.135
162 HG3 GLU 22 HG3 GLU 22 24.725 28.301 38.844
163 H VAL 23 H VAL 23 23.836 25.868 35.526
164 HA VAL 23 HA VAL 23 21.235 26.719 35.588
165 HB VAL 23 HB VAL 23 22.518 25.748 33.506
166 HG11 VAL 23 HG11 VAL 23 23.203 23.543 34.469
167 HG12 VAL 23 HG12 VAL 23 21.569 22.981 34.206
168 HG13 VAL 23 HG13 VAL 23 22.506 23.527 32.840
169 HG21 VAL 23 HG21 VAL 23 19.964 26.173 33.756
170 HG22 VAL 23 HG22 VAL 23 20.512 25.270 32.411
171 HG23 VAL 23 HG23 VAL 23 19.856 24.360 33.833
172 H VAL 24 H VAL 24 22.678 23.587 36.472
173 HA VAL 24 HA VAL 24 20.067 22.399 37.132
174 HB VAL 24 HB VAL 24 22.851 21.587 37.111
175 HG11 VAL 24 HG11 VAL 24 22.703 19.539 38.320
176 HG12 VAL 24 HG12 VAL 24 22.554 20.863 39.509
177 HG13 VAL 24 HG13 VAL 24 21.183 19.847 38.947
178 HG21 VAL 24 HG21 VAL 24 20.281 20.103 36.499
179 HG22 VAL 24 HG22 VAL 24 21.261 21.042 35.304
180 HG23 VAL 24 HG23 VAL 24 21.936 19.616 36.145
181 H GLU 25 H GLU 25 22.474 23.942 39.418
182 HA GLU 25 HA GLU 25 20.936 23.522 41.640
183 HB2 GLU 25 HB2 GLU 25 23.269 24.020 41.366
184 HB3 GLU 25 HB3 GLU 25 22.864 25.619 40.811
185 HG2 GLU 25 HG2 GLU 25 21.681 26.024 43.063
186 HG3 GLU 25 HG3 GLU 25 21.982 24.345 43.462
187 H GLU 26 H GLU 26 20.790 25.925 39.138
188 HA GLU 26 HA GLU 26 18.532 27.407 40.306
189 HB2 GLU 26 HB2 GLU 26 19.950 27.692 37.567
190 HB3 GLU 26 HB3 GLU 26 18.637 28.652 38.109
191 HG2 GLU 26 HG2 GLU 26 21.197 28.397 39.807
192 HG3 GLU 26 HG3 GLU 26 21.208 29.486 38.523
193 H ALA 27 H ALA 27 18.573 24.850 38.163
194 HA ALA 27 HA ALA 27 15.701 24.910 37.547
195 HB1 ALA 27 HB1 ALA 27 16.218 22.278 37.236
196 HB2 ALA 27 HB2 ALA 27 16.824 23.598 36.165
197 HB3 ALA 27 HB3 ALA 27 17.886 22.829 37.334
198 H GLU 28 H GLU 28 17.688 23.507 40.272
199 HA GLU 28 HA GLU 28 15.679 22.234 41.776
200 HB2 GLU 28 HB2 GLU 28 17.979 21.494 41.629
201 HB3 GLU 28 HB3 GLU 28 18.562 23.120 42.152
202 HG2 GLU 28 HG2 GLU 28 17.595 22.798 44.295
203 HG3 GLU 28 HG3 GLU 28 17.044 21.176 43.886
204 H ASN 29 H ASN 29 16.792 25.455 41.751
205 HA ASN 29 HA ASN 29 16.064 26.517 44.370
206 HB2 ASN 29 HB2 ASN 29 17.714 27.354 42.692
207 HB3 ASN 29 HB3 ASN 29 16.290 27.993 41.775
208 HD21 ASN 29 HD22 ASN 29 17.784 30.007 42.226
209 HD22 ASN 29 HD21 ASN 29 17.248 30.749 43.759
Start of MODEL 21
1 H1 ACE 1 HH32 ACE 1 38.791 15.966 13.066
2 H2 ACE 1 HH33 ACE 1 39.693 16.579 14.308
3 H3 ACE 1 HH31 ACE 1 38.592 15.246 14.741
4 H SER 2 H SER 2 36.076 16.000 14.443
5 HA SER 2 HA SER 2 35.380 18.554 13.598
6 HB2 SER 2 HB2 SER 2 33.131 17.974 14.849
7 HB3 SER 2 HB3 SER 2 33.752 16.865 13.608
8 HG SER 2 HG SER 2 33.239 15.646 15.342
9 H ASP 3 H ASP 3 36.246 17.492 16.679
10 HA ASP 3 HA ASP 3 35.507 19.931 18.118
11 HB2 ASP 3 HB2 ASP 3 35.616 17.696 19.073
12 HB3 ASP 3 HB3 ASP 3 37.326 17.644 18.903
13 H ALA 4 H ALA 4 38.339 19.477 16.044
14 HA ALA 4 HA ALA 4 40.056 21.321 17.379
15 HB1 ALA 4 HB1 ALA 4 41.157 19.580 16.109
16 HB2 ALA 4 HB2 ALA 4 40.171 19.797 14.648
17 HB3 ALA 4 HB3 ALA 4 41.311 20.933 15.081
18 H ALA 5 H ALA 5 37.454 21.320 14.766
19 HA ALA 5 HA ALA 5 37.896 24.082 14.022
20 HB1 ALA 5 HB1 ALA 5 35.522 23.912 13.108
21 HB2 ALA 5 HB2 ALA 5 36.546 22.523 12.762
22 HB3 ALA 5 HB3 ALA 5 35.263 22.527 14.024
23 H VAL 6 H VAL 6 36.824 22.679 17.131
24 HA VAL 6 HA VAL 6 35.504 25.224 18.004
25 HB VAL 6 HB VAL 6 35.308 22.465 19.068
26 HG11 VAL 6 HG11 VAL 6 33.185 23.464 20.167
27 HG12 VAL 6 HG12 VAL 6 34.485 24.585 20.589
28 HG13 VAL 6 HG13 VAL 6 33.360 24.897 19.303
29 HG21 VAL 6 HG21 VAL 6 33.290 23.701 17.325
30 HG22 VAL 6 HG22 VAL 6 34.198 22.327 16.940
31 HG23 VAL 6 HG23 VAL 6 32.968 22.303 18.361
32 H ASP 7 H ASP 7 38.359 24.328 17.681
33 HA ASP 7 HA ASP 7 40.325 24.567 18.809
34 HB2 ASP 7 HB2 ASP 7 39.229 26.864 19.065
35 HB3 ASP 7 HB3 ASP 7 38.875 26.329 20.731
36 H THR 8 H THR 8 39.086 22.346 19.365
37 HA THR 8 HA THR 8 38.959 20.520 20.561
38 HB THR 8 HB THR 8 41.552 21.336 21.663
39 HG1 THR 8 HG1 THR 8 41.557 21.270 19.569
40 HG21 THR 8 HG21 THR 8 41.689 18.675 21.640
41 HG22 THR 8 HG22 THR 8 40.815 19.484 22.984
42 HG23 THR 8 HG23 THR 8 39.997 18.609 21.586
43 H SER 9 H SER 9 36.957 21.638 21.492
44 HA SER 9 HA SER 9 37.089 22.473 24.078
45 HB2 SER 9 HB2 SER 9 34.497 22.770 23.807
46 HB3 SER 9 HB3 SER 9 35.396 22.938 22.275
47 HG SER 9 HG SER 9 34.789 20.780 21.820
48 H SER 10 H SER 10 37.270 19.494 23.011
49 HA SER 10 HA SER 10 36.259 17.941 25.139
50 HB2 SER 10 HB2 SER 10 38.864 17.390 23.608
51 HB3 SER 10 HB3 SER 10 37.880 16.230 24.584
52 HG SER 10 HG SER 10 37.296 17.407 22.153
53 H GLU 11 H GLU 11 38.923 20.200 25.239
54 HA GLU 11 HA GLU 11 39.754 19.239 27.861
55 HB2 GLU 11 HB2 GLU 11 40.720 21.536 26.117
56 HB3 GLU 11 HB3 GLU 11 41.422 21.231 27.670
57 HG2 GLU 11 HG2 GLU 11 42.131 19.039 27.210
58 HG3 GLU 11 HG3 GLU 11 41.343 19.037 25.543
59 H ILE 12 H ILE 12 37.769 21.708 26.538
60 HA ILE 12 HA ILE 12 38.093 23.639 28.750
61 HB ILE 12 HB ILE 12 36.757 25.141 27.867
62 HG12 ILE 12 HG12 ILE 12 35.860 24.361 25.296
63 HG13 ILE 12 HG13 ILE 12 35.659 23.025 26.214
64 HG21 ILE 12 HG21 ILE 12 39.052 25.140 26.775
65 HG22 ILE 12 HG22 ILE 12 38.406 24.110 25.513
66 HG23 ILE 12 HG23 ILE 12 37.780 25.681 25.647
67 HD11 ILE 12 HD11 ILE 12 34.409 25.846 26.677
68 HD12 ILE 12 HD12 ILE 12 33.647 24.456 26.098
69 HD13 ILE 12 HD13 ILE 12 34.068 24.447 27.830
70 H THR 13 H THR 13 36.109 21.122 28.159
71 HA THR 13 HA THR 13 33.671 21.459 29.031
72 HB THR 13 HB THR 13 34.015 19.511 28.051
73 HG1 THR 13 HG1 THR 13 32.573 19.209 29.743
74 HG21 THR 13 HG21 THR 13 35.589 17.727 28.912
75 HG22 THR 13 HG22 THR 13 36.484 19.316 28.781
76 HG23 THR 13 HG23 THR 13 35.941 18.836 30.340
77 H THR 14 H THR 14 36.264 21.442 31.527
78 HA THR 14 HA THR 14 34.188 21.070 33.585
79 HB THR 14 HB THR 14 36.885 22.195 34.224
80 HG1 THR 14 HG1 THR 14 37.278 20.435 33.180
81 HG21 THR 14 HG21 THR 14 36.278 20.939 36.333
82 HG22 THR 14 HG22 THR 14 35.496 22.556 35.995
83 HG23 THR 14 HG23 THR 14 34.581 21.143 35.767
84 H LYS 15 H LYS 15 35.082 23.743 31.799
85 HA LYS 15 HA LYS 15 33.879 25.790 33.624
86 HB2 LYS 15 HB2 LYS 15 34.834 25.988 30.677
87 HB3 LYS 15 HB3 LYS 15 34.095 27.309 31.612
88 HG2 LYS 15 HG2 LYS 15 35.924 27.599 33.026
89 HG3 LYS 15 HG3 LYS 15 36.551 26.022 32.688
90 HD2 LYS 15 HD2 LYS 15 37.100 26.709 30.468
91 HD3 LYS 15 HD3 LYS 15 36.425 28.418 30.802
92 HE2 LYS 15 HE2 LYS 15 38.215 28.483 32.705
93 HE3 LYS 15 HE3 LYS 15 38.816 26.951 31.986
94 HZ1 LYS 15 HZ1 LYS 15 40.015 28.891 31.185
95 HZ2 LYS 15 HZ2 LYS 15 39.327 27.944 30.061
96 HZ3 LYS 15 HZ3 LYS 15 38.630 29.430 30.510
97 H ASP 16 H ASP 16 33.232 24.045 30.722
98 HA ASP 16 HA ASP 16 30.548 25.011 30.250
99 HB2 ASP 16 HB2 ASP 16 31.952 23.856 28.605
100 HB3 ASP 16 HB3 ASP 16 31.627 22.311 29.480
101 H LEU 17 H LEU 17 31.787 22.533 32.350
102 HA LEU 17 HA LEU 17 29.173 21.421 33.063
103 HB2 LEU 17 HB2 LEU 17 32.002 20.726 33.830
104 HB3 LEU 17 HB3 LEU 17 30.483 19.830 34.374
105 HG LEU 17 HG LEU 17 31.296 20.226 31.492
106 HD11 LEU 17 HD11 LEU 17 31.570 17.923 33.403
107 HD12 LEU 17 HD12 LEU 17 31.911 17.911 31.683
108 HD13 LEU 17 HD13 LEU 17 32.963 18.860 32.785
109 HD21 LEU 17 HD21 LEU 17 28.914 19.782 31.523
110 HD22 LEU 17 HD22 LEU 17 29.830 18.469 30.941
111 HD23 LEU 17 HD23 LEU 17 29.169 18.357 32.635
112 H LYS 18 H LYS 18 31.455 23.554 34.842
113 HA LYS 18 HA LYS 18 29.605 23.767 37.032
114 HB2 LYS 18 HB2 LYS 18 32.147 25.139 36.112
115 HB3 LYS 18 HB3 LYS 18 31.150 26.042 37.250
116 HG2 LYS 18 HG2 LYS 18 32.504 24.949 38.571
117 HG3 LYS 18 HG3 LYS 18 31.074 23.937 38.622
118 HD2 LYS 18 HD2 LYS 18 32.325 22.366 36.851
119 HD3 LYS 18 HD3 LYS 18 33.628 23.481 36.837
120 HE2 LYS 18 HE2 LYS 18 32.554 21.770 39.071
121 HE3 LYS 18 HE3 LYS 18 34.054 21.495 38.269
122 HZ1 LYS 18 HZ1 LYS 18 34.370 22.652 40.597
123 HZ2 LYS 18 HZ2 LYS 18 34.630 23.737 39.452
124 HZ3 LYS 18 HZ3 LYS 18 33.200 23.623 40.207
125 H GLU 19 H GLU 19 29.589 24.983 33.802
126 HA GLU 19 HA GLU 19 27.376 26.792 34.453
127 HB2 GLU 19 HB2 GLU 19 28.913 25.858 32.033
128 HB3 GLU 19 HB3 GLU 19 27.238 25.924 31.689
129 HG2 GLU 19 HG2 GLU 19 27.121 28.280 32.608
130 HG3 GLU 19 HG3 GLU 19 28.803 28.209 32.943
131 H LYS 20 H LYS 20 27.585 23.414 33.127
132 HA LYS 20 HA LYS 20 24.828 22.863 33.191
133 HB2 LYS 20 HB2 LYS 20 27.083 20.789 33.776
134 HB3 LYS 20 HB3 LYS 20 25.419 20.284 33.493
135 HG2 LYS 20 HG2 LYS 20 27.354 21.406 31.334
136 HG3 LYS 20 HG3 LYS 20 26.300 19.919 31.437
137 HD2 LYS 20 HD2 LYS 20 24.409 21.383 31.104
138 HD3 LYS 20 HD3 LYS 20 25.387 22.827 30.983
139 HE2 LYS 20 HE2 LYS 20 25.716 20.552 28.977
140 HE3 LYS 20 HE3 LYS 20 24.732 21.993 28.863
141 HZ1 LYS 20 HZ1 LYS 20 27.123 21.859 28.034
142 HZ2 LYS 20 HZ2 LYS 20 26.707 23.314 28.721
143 HZ3 LYS 20 HZ3 LYS 20 27.648 22.258 29.541
144 H LYS 21 H LYS 21 26.900 22.932 35.921
145 HA LYS 21 HA LYS 21 24.796 21.831 37.753
146 HB2 LYS 21 HB2 LYS 21 27.668 22.760 38.246
147 HB3 LYS 21 HB3 LYS 21 26.637 22.579 39.656
148 HG2 LYS 21 HG2 LYS 21 27.313 20.397 37.642
149 HG3 LYS 21 HG3 LYS 21 27.966 20.687 39.286
150 HD2 LYS 21 HD2 LYS 21 25.567 20.569 40.099
151 HD3 LYS 21 HD3 LYS 21 25.121 19.831 38.506
152 HE2 LYS 21 HE2 LYS 21 26.455 17.996 38.596
153 HE3 LYS 21 HE3 LYS 21 27.562 18.468 39.719
154 HZ1 LYS 21 HZ1 LYS 21 26.078 18.681 41.508
155 HZ2 LYS 21 HZ2 LYS 21 24.875 18.224 40.629
156 HZ3 LYS 21 HZ3 LYS 21 25.985 17.090 40.904
157 H GLU 22 H GLU 22 25.384 24.778 36.528
158 HA GLU 22 HA GLU 22 24.446 26.461 38.936
159 HB2 GLU 22 HB2 GLU 22 26.293 27.347 37.515
160 HB3 GLU 22 HB3 GLU 22 25.267 27.313 36.185
161 HG2 GLU 22 HG2 GLU 22 23.797 28.984 36.774
162 HG3 GLU 22 HG3 GLU 22 23.903 28.591 38.426
163 H VAL 23 H VAL 23 23.853 25.979 35.297
164 HA VAL 23 HA VAL 23 21.060 26.625 35.373
165 HB VAL 23 HB VAL 23 22.812 25.832 33.507
166 HG11 VAL 23 HG11 VAL 23 22.222 23.674 32.387
167 HG12 VAL 23 HG12 VAL 23 23.025 23.702 33.982
168 HG13 VAL 23 HG13 VAL 23 21.314 23.232 33.828
169 HG21 VAL 23 HG21 VAL 23 20.880 25.553 31.849
170 HG22 VAL 23 HG22 VAL 23 19.896 25.152 33.205
171 HG23 VAL 23 HG23 VAL 23 20.489 26.793 33.154
172 H VAL 24 H VAL 24 22.586 23.603 36.514
173 HA VAL 24 HA VAL 24 19.908 22.338 36.494
174 HB VAL 24 HB VAL 24 21.981 21.102 35.921
175 HG11 VAL 24 HG11 VAL 24 22.850 21.312 38.170
176 HG12 VAL 24 HG12 VAL 24 21.576 20.212 38.824
177 HG13 VAL 24 HG13 VAL 24 22.822 19.604 37.712
178 HG21 VAL 24 HG21 VAL 24 19.917 20.373 35.300
179 HG22 VAL 24 HG22 VAL 24 20.727 19.047 36.070
180 HG23 VAL 24 HG23 VAL 24 19.608 19.908 37.007
181 H GLU 25 H GLU 25 22.250 23.584 38.983
182 HA GLU 25 HA GLU 25 20.545 22.817 41.204
183 HB2 GLU 25 HB2 GLU 25 22.838 24.662 41.066
184 HB3 GLU 25 HB3 GLU 25 21.957 24.272 42.521
185 HG2 GLU 25 HG2 GLU 25 23.101 21.908 40.921
186 HG3 GLU 25 HG3 GLU 25 24.011 22.811 42.193
187 H GLU 26 H GLU 26 20.722 25.626 39.166
188 HA GLU 26 HA GLU 26 19.020 27.116 40.953
189 HB2 GLU 26 HB2 GLU 26 19.828 27.500 38.048
190 HB3 GLU 26 HB3 GLU 26 18.847 28.667 38.907
191 HG2 GLU 26 HG2 GLU 26 21.818 27.959 39.668
192 HG3 GLU 26 HG3 GLU 26 21.239 29.259 38.710
193 H ALA 27 H ALA 27 18.572 24.648 38.440
194 HA ALA 27 HA ALA 27 15.764 25.323 37.921
195 HB1 ALA 27 HB1 ALA 27 15.753 23.140 36.849
196 HB2 ALA 27 HB2 ALA 27 17.122 24.190 36.183
197 HB3 ALA 27 HB3 ALA 27 17.414 22.844 37.180
198 H GLU 28 H GLU 28 17.459 23.669 40.407
199 HA GLU 28 HA GLU 28 14.963 22.602 41.706
200 HB2 GLU 28 HB2 GLU 28 17.449 21.502 41.717
201 HB3 GLU 28 HB3 GLU 28 17.667 22.737 43.089
202 HG2 GLU 28 HG2 GLU 28 15.689 21.620 44.196
203 HG3 GLU 28 HG3 GLU 28 15.533 20.489 42.882
204 H ASN 29 H ASN 29 17.264 25.089 42.210
205 HA ASN 29 HA ASN 29 16.293 26.139 44.698
206 HB2 ASN 29 HB2 ASN 29 18.549 26.554 43.845
207 HB3 ASN 29 HB3 ASN 29 17.980 27.436 42.523
208 HD21 ASN 29 HD22 ASN 29 19.409 29.203 43.328
209 HD22 ASN 29 HD21 ASN 29 18.894 30.157 44.750