Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
587927 | 2mnq RC | 19901 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 H1 ACE 0 8.284 -0.748 -13.187
2 H2 ACE 0 H2 ACE 0 7.569 0.507 -12.175
3 H3 ACE 0 H3 ACE 0 7.069 -1.173 -11.981
4 H SER 1 H SER 1 9.690 1.125 -11.484
5 HA SER 1 HA SER 1 11.561 -0.597 -10.277
6 HB2 SER 1 HB2 SER 1 12.750 1.303 -10.220
7 HB3 SER 1 HB3 SER 1 11.330 2.170 -10.796
8 HG SER 1 HG SER 1 12.378 2.711 -8.632
9 H ASP 2 H ASP 2 8.669 0.937 -9.059
10 HA ASP 2 HA ASP 2 9.135 0.761 -6.301
11 HB2 ASP 2 HB2 ASP 2 7.240 1.991 -7.236
12 HB3 ASP 2 HB3 ASP 2 6.531 0.485 -7.817
13 H ALA 3 H ALA 3 8.009 -1.640 -8.624
14 HA ALA 3 HA ALA 3 7.118 -3.625 -6.876
15 HB1 ALA 3 HB1 ALA 3 7.011 -4.946 -8.725
16 HB2 ALA 3 HB2 ALA 3 8.655 -4.552 -9.226
17 HB3 ALA 3 HB3 ALA 3 7.337 -3.432 -9.571
18 H ALA 4 H ALA 4 10.302 -2.465 -7.474
19 HA ALA 4 HA ALA 4 11.954 -4.602 -6.968
20 HB1 ALA 4 HB1 ALA 4 13.547 -2.983 -6.022
21 HB2 ALA 4 HB2 ALA 4 12.255 -1.791 -5.883
22 HB3 ALA 4 HB3 ALA 4 12.779 -2.342 -7.475
23 H VAL 5 H VAL 5 9.591 -3.317 -4.897
24 HA VAL 5 HA VAL 5 10.656 -3.722 -2.358
25 HB VAL 5 HB VAL 5 8.568 -2.614 -2.491
26 HG11 VAL 5 HG11 VAL 5 7.592 -5.087 -3.949
27 HG12 VAL 5 HG12 VAL 5 7.798 -3.473 -4.630
28 HG13 VAL 5 HG13 VAL 5 6.546 -3.768 -3.423
29 HG21 VAL 5 HG21 VAL 5 7.943 -5.409 -1.490
30 HG22 VAL 5 HG22 VAL 5 7.164 -3.908 -0.990
31 HG23 VAL 5 HG23 VAL 5 8.850 -4.210 -0.567
32 H ASP 6 H ASP 6 9.159 -6.017 -4.602
33 HA ASP 6 HA ASP 6 9.032 -8.213 -2.834
34 HB2 ASP 6 HB2 ASP 6 9.347 -8.057 -5.836
35 HB3 ASP 6 HB3 ASP 6 9.177 -9.584 -4.971
36 H THR 7 H THR 7 11.569 -6.958 -4.922
37 HA THR 7 HA THR 7 13.468 -9.013 -4.514
38 HB THR 7 HB THR 7 13.898 -6.077 -5.129
39 HG1 THR 7 HG1 THR 7 14.328 -7.865 -7.103
40 HG21 THR 7 HG21 THR 7 16.048 -6.640 -4.647
41 HG22 THR 7 HG22 THR 7 15.994 -7.445 -6.215
42 HG23 THR 7 HG23 THR 7 15.716 -8.370 -4.739
43 H SER 8 H SER 8 12.611 -6.107 -2.735
44 HA SER 8 HA SER 8 14.673 -5.706 -1.010
45 HB2 SER 8 HB2 SER 8 13.187 -4.551 0.272
46 HB3 SER 8 HB3 SER 8 12.111 -4.842 -1.092
47 HG SER 8 HG SER 8 11.388 -5.461 1.125
48 H SER 9 H SER 9 12.943 -8.594 -1.387
49 HA SER 9 HA SER 9 12.972 -9.758 1.141
50 HB2 SER 9 HB2 SER 9 12.174 -10.637 -1.243
51 HB3 SER 9 HB3 SER 9 13.738 -11.445 -1.197
52 HG SER 9 HG SER 9 11.466 -11.817 0.363
53 H GLU 10 H GLU 10 15.569 -9.546 -1.265
54 HA GLU 10 HA GLU 10 17.429 -11.145 0.185
55 HB2 GLU 10 HB2 GLU 10 17.333 -9.920 -2.332
56 HB3 GLU 10 HB3 GLU 10 18.685 -9.149 -1.503
57 HG2 GLU 10 HG2 GLU 10 18.314 -12.151 -1.552
58 HG3 GLU 10 HG3 GLU 10 19.233 -11.291 -2.786
59 H ILE 11 H ILE 11 16.187 -8.083 0.784
60 HA ILE 11 HA ILE 11 16.717 -6.465 2.328
61 HB ILE 11 HB ILE 11 18.836 -8.406 3.272
62 HG12 ILE 11 HG12 ILE 11 16.601 -9.475 3.154
63 HG13 ILE 11 HG13 ILE 11 17.121 -9.244 4.822
64 HG21 ILE 11 HG21 ILE 11 18.181 -5.777 4.049
65 HG22 ILE 11 HG22 ILE 11 19.208 -6.918 4.917
66 HG23 ILE 11 HG23 ILE 11 17.485 -6.826 5.284
67 HD11 ILE 11 HD11 ILE 11 14.847 -8.056 3.391
68 HD12 ILE 11 HD12 ILE 11 15.808 -6.874 4.278
69 HD13 ILE 11 HD13 ILE 11 15.105 -8.252 5.124
70 H THR 12 H THR 12 17.475 -5.178 0.527
71 HA THR 12 HA THR 12 20.270 -4.446 0.855
72 HB THR 12 HB THR 12 19.694 -4.590 -1.983
73 HG1 THR 12 HG1 THR 12 20.096 -7.060 -1.650
74 HG21 THR 12 HG21 THR 12 21.797 -5.990 -0.314
75 HG22 THR 12 HG22 THR 12 21.920 -4.313 -0.845
76 HG23 THR 12 HG23 THR 12 21.883 -5.614 -2.035
77 H THR 13 H THR 13 17.144 -3.877 -0.677
78 HA THR 13 HA THR 13 17.506 -1.398 -1.804
79 HB THR 13 HB THR 13 15.096 -1.595 -0.103
80 HG1 THR 13 HG1 THR 13 15.623 -3.469 -2.166
81 HG21 THR 13 HG21 THR 13 15.241 -1.487 -3.105
82 HG22 THR 13 HG22 THR 13 15.652 -0.066 -2.146
83 HG23 THR 13 HG23 THR 13 14.041 -0.774 -2.027
84 H LYS 14 H LYS 14 17.136 -2.237 1.600
85 HA LYS 14 HA LYS 14 17.221 0.485 2.525
86 HB2 LYS 14 HB2 LYS 14 17.558 -0.623 4.770
87 HB3 LYS 14 HB3 LYS 14 16.099 -1.118 3.912
88 HG2 LYS 14 HG2 LYS 14 16.998 -3.207 3.327
89 HG3 LYS 14 HG3 LYS 14 18.657 -2.672 3.589
90 HD2 LYS 14 HD2 LYS 14 16.748 -2.655 5.902
91 HD3 LYS 14 HD3 LYS 14 17.452 -4.188 5.389
92 HE2 LYS 14 HE2 LYS 14 19.445 -2.057 5.535
93 HE3 LYS 14 HE3 LYS 14 18.648 -2.331 7.083
94 HZ1 LYS 14 HZ1 LYS 14 19.447 -4.696 5.582
95 HZ2 LYS 14 HZ2 LYS 14 19.480 -4.406 7.256
96 HZ3 LYS 14 HZ3 LYS 14 20.700 -3.772 6.256
97 H ASP 15 H ASP 15 19.531 -2.124 2.056
98 HA ASP 15 HA ASP 15 21.725 -1.137 3.459
99 HB2 ASP 15 HB2 ASP 15 21.597 -2.666 0.860
100 HB3 ASP 15 HB3 ASP 15 23.094 -2.346 1.731
101 H LEU 16 H LEU 16 20.390 -0.219 0.357
102 HA LEU 16 HA LEU 16 22.487 1.267 -0.714
103 HB2 LEU 16 HB2 LEU 16 20.460 0.910 -1.991
104 HB3 LEU 16 HB3 LEU 16 19.502 1.781 -0.793
105 HG LEU 16 HG LEU 16 21.811 3.275 -1.886
106 HD11 LEU 16 HD11 LEU 16 20.983 2.091 -3.904
107 HD12 LEU 16 HD12 LEU 16 20.663 3.823 -3.984
108 HD13 LEU 16 HD13 LEU 16 19.361 2.704 -3.582
109 HD21 LEU 16 HD21 LEU 16 20.430 5.097 -1.483
110 HD22 LEU 16 HD22 LEU 16 19.770 3.948 -0.319
111 HD23 LEU 16 HD23 LEU 16 18.961 4.199 -1.866
112 H LYS 17 H LYS 17 20.312 1.912 1.915
113 HA LYS 17 HA LYS 17 20.886 4.705 2.186
114 HB2 LYS 17 HB2 LYS 17 19.874 2.745 4.262
115 HB3 LYS 17 HB3 LYS 17 19.798 4.504 4.370
116 HG2 LYS 17 HG2 LYS 17 18.665 3.815 1.867
117 HG3 LYS 17 HG3 LYS 17 17.977 2.697 3.046
118 HD2 LYS 17 HD2 LYS 17 17.115 4.459 4.379
119 HD3 LYS 17 HD3 LYS 17 18.121 5.667 3.578
120 HE2 LYS 17 HE2 LYS 17 15.909 5.926 2.685
121 HE3 LYS 17 HE3 LYS 17 16.865 5.129 1.436
122 HZ1 LYS 17 HZ1 LYS 17 15.792 3.168 3.122
123 HZ2 LYS 17 HZ2 LYS 17 15.461 3.440 1.478
124 HZ3 LYS 17 HZ3 LYS 17 14.533 4.212 2.673
125 H GLU 18 H GLU 18 22.063 1.772 3.763
126 HA GLU 18 HA GLU 18 23.916 3.092 5.466
127 HB2 GLU 18 HB2 GLU 18 23.098 0.768 5.838
128 HB3 GLU 18 HB3 GLU 18 24.025 0.249 4.430
129 HG2 GLU 18 HG2 GLU 18 26.103 0.853 5.469
130 HG3 GLU 18 HG3 GLU 18 25.272 1.685 6.784
131 H LYS 19 H LYS 19 24.167 1.568 2.283
132 HA LYS 19 HA LYS 19 26.926 1.824 1.894
133 HB2 LYS 19 HB2 LYS 19 24.801 0.921 0.379
134 HB3 LYS 19 HB3 LYS 19 25.338 2.347 -0.511
135 HG2 LYS 19 HG2 LYS 19 27.581 1.502 -0.676
136 HG3 LYS 19 HG3 LYS 19 27.231 0.189 0.448
137 HD2 LYS 19 HD2 LYS 19 25.884 -0.953 -1.114
138 HD3 LYS 19 HD3 LYS 19 25.680 0.482 -2.120
139 HE2 LYS 19 HE2 LYS 19 27.312 -1.290 -2.995
140 HE3 LYS 19 HE3 LYS 19 27.921 0.363 -2.922
141 HZ1 LYS 19 HZ1 LYS 19 28.283 -1.262 -0.535
142 HZ2 LYS 19 HZ2 LYS 19 29.327 -0.126 -1.248
143 HZ3 LYS 19 HZ3 LYS 19 29.215 -1.697 -1.884
144 H LYS 20 H LYS 20 24.305 4.146 1.531
145 HA LYS 20 HA LYS 20 25.963 6.168 0.326
146 HB2 LYS 20 HB2 LYS 20 23.278 5.826 0.450
147 HB3 LYS 20 HB3 LYS 20 23.503 6.975 1.770
148 HG2 LYS 20 HG2 LYS 20 23.237 8.393 -0.075
149 HG3 LYS 20 HG3 LYS 20 24.993 8.267 0.049
150 HD2 LYS 20 HD2 LYS 20 25.037 6.546 -1.674
151 HD3 LYS 20 HD3 LYS 20 23.274 6.527 -1.743
152 HE2 LYS 20 HE2 LYS 20 24.355 7.885 -3.572
153 HE3 LYS 20 HE3 LYS 20 23.216 8.794 -2.580
154 HZ1 LYS 20 HZ1 LYS 20 25.716 8.935 -1.355
155 HZ2 LYS 20 HZ2 LYS 20 24.837 10.192 -2.084
156 HZ3 LYS 20 HZ3 LYS 20 25.947 9.286 -2.998
157 H GLU 21 H GLU 21 24.876 5.317 3.547
158 HA GLU 21 HA GLU 21 25.806 7.647 4.870
159 HB2 GLU 21 HB2 GLU 21 24.195 6.150 5.919
160 HB3 GLU 21 HB3 GLU 21 25.374 4.838 5.912
161 HG2 GLU 21 HG2 GLU 21 26.604 7.110 7.128
162 HG3 GLU 21 HG3 GLU 21 25.023 6.889 7.874
163 H VAL 22 H VAL 22 27.307 4.471 4.250
164 HA VAL 22 HA VAL 22 29.656 4.924 5.744
165 HB VAL 22 HB VAL 22 30.668 3.182 4.210
166 HG11 VAL 22 HG11 VAL 22 29.766 2.214 6.111
167 HG12 VAL 22 HG12 VAL 22 28.725 1.488 4.886
168 HG13 VAL 22 HG13 VAL 22 28.159 2.878 5.812
169 HG21 VAL 22 HG21 VAL 22 27.903 3.402 3.021
170 HG22 VAL 22 HG22 VAL 22 28.973 2.034 2.736
171 HG23 VAL 22 HG23 VAL 22 29.432 3.646 2.183
172 H VAL 23 H VAL 23 28.652 6.097 2.628
173 HA VAL 23 HA VAL 23 30.970 6.635 1.286
174 HB VAL 23 HB VAL 23 28.524 7.347 0.757
175 HG11 VAL 23 HG11 VAL 23 27.874 9.536 1.381
176 HG12 VAL 23 HG12 VAL 23 29.504 9.963 1.902
177 HG13 VAL 23 HG13 VAL 23 28.536 8.845 2.863
178 HG21 VAL 23 HG21 VAL 23 30.691 7.751 -0.587
179 HG22 VAL 23 HG22 VAL 23 30.662 9.379 0.090
180 HG23 VAL 23 HG23 VAL 23 29.331 8.821 -0.923
181 H GLU 24 H GLU 24 29.840 8.079 4.251
182 HA GLU 24 HA GLU 24 31.513 10.336 4.364
183 HB2 GLU 24 HB2 GLU 24 29.936 8.734 6.258
184 HB3 GLU 24 HB3 GLU 24 31.341 9.520 6.976
185 HG2 GLU 24 HG2 GLU 24 29.624 11.137 5.139
186 HG3 GLU 24 HG3 GLU 24 29.010 10.795 6.755
187 H GLU 25 H GLU 25 32.047 6.952 5.165
188 HA GLU 25 HA GLU 25 34.521 7.167 6.467
189 HB2 GLU 25 HB2 GLU 25 32.993 5.097 6.119
190 HB3 GLU 25 HB3 GLU 25 33.867 4.899 4.600
191 HG2 GLU 25 HG2 GLU 25 35.000 3.586 6.286
192 HG3 GLU 25 HG3 GLU 25 36.016 4.976 5.904
193 H ALA 26 H ALA 26 33.645 7.845 3.261
194 HA ALA 26 HA ALA 26 35.737 7.151 1.653
195 HB1 ALA 26 HB1 ALA 26 35.426 9.516 0.624
196 HB2 ALA 26 HB2 ALA 26 34.141 9.695 1.819
197 HB3 ALA 26 HB3 ALA 26 34.054 8.408 0.616
198 H GLU 27 H GLU 27 35.802 9.342 4.347
199 HA GLU 27 HA GLU 27 38.257 10.661 3.701
200 HB2 GLU 27 HB2 GLU 27 36.701 10.303 6.264
201 HB3 GLU 27 HB3 GLU 27 38.232 11.176 6.205
202 HG2 GLU 27 HG2 GLU 27 37.351 12.794 4.672
203 HG3 GLU 27 HG3 GLU 27 35.898 11.835 4.397
204 H ASN 28 H ASN 28 37.740 7.511 4.147
205 HA ASN 28 HA ASN 28 39.067 5.715 4.674
206 HB2 ASN 28 HB2 ASN 28 40.755 6.825 3.316
207 HB3 ASN 28 HB3 ASN 28 41.226 7.837 4.681
208 HD21 ASN 28 HD21 ASN 28 40.395 4.404 5.053
209 HD22 ASN 28 HD22 ASN 28 41.964 3.895 5.453
Start of MODEL 2
1 H1 ACE 0 H1 ACE 0 19.379 -25.865 -5.268
2 H2 ACE 0 H2 ACE 0 17.793 -26.489 -4.815
3 H3 ACE 0 H3 ACE 0 19.006 -26.181 -3.573
4 H SER 1 H SER 1 16.769 -25.005 -2.980
5 HA SER 1 HA SER 1 16.161 -22.531 -4.192
6 HB2 SER 1 HB2 SER 1 15.564 -23.809 -1.559
7 HB3 SER 1 HB3 SER 1 15.269 -22.082 -1.736
8 HG SER 1 HG SER 1 13.672 -23.945 -2.463
9 H ASP 2 H ASP 2 18.736 -23.497 -2.137
10 HA ASP 2 HA ASP 2 19.360 -21.156 -0.761
11 HB2 ASP 2 HB2 ASP 2 21.415 -22.981 -2.012
12 HB3 ASP 2 HB3 ASP 2 21.568 -22.025 -0.539
13 H ALA 3 H ALA 3 20.027 -22.082 -4.099
14 HA ALA 3 HA ALA 3 21.793 -20.010 -4.782
15 HB1 ALA 3 HB1 ALA 3 21.266 -20.517 -7.070
16 HB2 ALA 3 HB2 ALA 3 19.730 -21.253 -6.609
17 HB3 ALA 3 HB3 ALA 3 21.249 -22.038 -6.175
18 H ALA 4 H ALA 4 18.337 -20.050 -4.355
19 HA ALA 4 HA ALA 4 17.456 -17.890 -5.804
20 HB1 ALA 4 HB1 ALA 4 15.701 -17.639 -4.190
21 HB2 ALA 4 HB2 ALA 4 16.678 -18.386 -2.925
22 HB3 ALA 4 HB3 ALA 4 16.083 -19.359 -4.271
23 H VAL 5 H VAL 5 19.367 -17.901 -2.869
24 HA VAL 5 HA VAL 5 19.218 -15.382 -1.903
25 HB VAL 5 HB VAL 5 21.585 -15.563 -1.275
26 HG11 VAL 5 HG11 VAL 5 21.270 -18.224 -0.642
27 HG12 VAL 5 HG12 VAL 5 19.608 -17.719 -0.945
28 HG13 VAL 5 HG13 VAL 5 20.575 -16.885 0.271
29 HG21 VAL 5 HG21 VAL 5 22.579 -16.383 -3.305
30 HG22 VAL 5 HG22 VAL 5 21.541 -17.809 -3.309
31 HG23 VAL 5 HG23 VAL 5 22.808 -17.643 -2.093
32 H ASP 6 H ASP 6 20.643 -16.400 -4.944
33 HA ASP 6 HA ASP 6 22.090 -14.095 -5.590
34 HB2 ASP 6 HB2 ASP 6 22.190 -16.070 -7.012
35 HB3 ASP 6 HB3 ASP 6 20.477 -15.916 -7.397
36 H THR 7 H THR 7 18.665 -14.854 -5.878
37 HA THR 7 HA THR 7 17.862 -12.445 -7.139
38 HB THR 7 HB THR 7 15.598 -13.011 -6.231
39 HG1 THR 7 HG1 THR 7 16.273 -15.464 -5.368
40 HG21 THR 7 HG21 THR 7 16.649 -14.012 -8.341
41 HG22 THR 7 HG22 THR 7 15.297 -14.902 -7.638
42 HG23 THR 7 HG23 THR 7 16.951 -15.456 -7.375
43 H SER 8 H SER 8 18.355 -13.431 -3.794
44 HA SER 8 HA SER 8 17.177 -11.264 -2.476
45 HB2 SER 8 HB2 SER 8 19.706 -12.655 -1.591
46 HB3 SER 8 HB3 SER 8 18.498 -11.871 -0.577
47 HG SER 8 HG SER 8 17.201 -13.604 -2.043
48 H SER 9 H SER 9 20.300 -11.522 -4.062
49 HA SER 9 HA SER 9 21.574 -9.272 -3.011
50 HB2 SER 9 HB2 SER 9 23.150 -9.672 -4.591
51 HB3 SER 9 HB3 SER 9 22.222 -11.140 -4.879
52 HG SER 9 HG SER 9 22.333 -10.193 -6.834
53 H GLU 10 H GLU 10 19.267 -9.537 -5.688
54 HA GLU 10 HA GLU 10 19.421 -6.899 -6.627
55 HB2 GLU 10 HB2 GLU 10 17.251 -8.981 -6.660
56 HB3 GLU 10 HB3 GLU 10 16.965 -7.367 -7.311
57 HG2 GLU 10 HG2 GLU 10 18.383 -7.680 -9.085
58 HG3 GLU 10 HG3 GLU 10 19.479 -8.705 -8.160
59 H ILE 11 H ILE 11 18.046 -8.192 -3.739
60 HA ILE 11 HA ILE 11 16.434 -5.793 -3.254
61 HB ILE 11 HB ILE 11 16.656 -8.494 -1.974
62 HG12 ILE 11 HG12 ILE 11 14.307 -6.748 -2.783
63 HG13 ILE 11 HG13 ILE 11 15.016 -8.007 -3.795
64 HG21 ILE 11 HG21 ILE 11 16.738 -7.241 0.003
65 HG22 ILE 11 HG22 ILE 11 15.002 -7.428 -0.241
66 HG23 ILE 11 HG23 ILE 11 15.798 -5.916 -0.680
67 HD11 ILE 11 HD11 ILE 11 13.192 -8.260 -1.515
68 HD12 ILE 11 HD12 ILE 11 14.600 -9.316 -1.393
69 HD13 ILE 11 HD13 ILE 11 13.545 -9.411 -2.802
70 H THR 12 H THR 12 17.585 -4.092 -2.564
71 HA THR 12 HA THR 12 18.784 -4.023 -0.032
72 HB THR 12 HB THR 12 20.593 -5.344 -0.858
73 HG1 THR 12 HG1 THR 12 21.231 -2.584 -0.949
74 HG21 THR 12 HG21 THR 12 21.792 -4.804 -2.922
75 HG22 THR 12 HG22 THR 12 20.748 -3.407 -3.185
76 HG23 THR 12 HG23 THR 12 20.078 -5.036 -3.267
77 H THR 13 H THR 13 17.088 -2.498 -1.935
78 HA THR 13 HA THR 13 18.480 -0.139 -2.722
79 HB THR 13 HB THR 13 15.531 -0.599 -2.199
80 HG1 THR 13 HG1 THR 13 15.816 -0.385 -4.670
81 HG21 THR 13 HG21 THR 13 16.032 1.772 -2.076
82 HG22 THR 13 HG22 THR 13 15.268 1.442 -3.631
83 HG23 THR 13 HG23 THR 13 17.013 1.678 -3.539
84 H LYS 14 H LYS 14 16.338 -0.884 0.025
85 HA LYS 14 HA LYS 14 16.728 1.627 1.322
86 HB2 LYS 14 HB2 LYS 14 16.090 -0.524 3.154
87 HB3 LYS 14 HB3 LYS 14 15.097 0.848 2.662
88 HG2 LYS 14 HG2 LYS 14 13.896 -1.076 1.938
89 HG3 LYS 14 HG3 LYS 14 14.668 -0.441 0.486
90 HD2 LYS 14 HD2 LYS 14 15.375 -2.603 0.251
91 HD3 LYS 14 HD3 LYS 14 16.632 -2.085 1.375
92 HE2 LYS 14 HE2 LYS 14 15.886 -3.897 2.566
93 HE3 LYS 14 HE3 LYS 14 14.699 -2.728 3.147
94 HZ1 LYS 14 HZ1 LYS 14 14.200 -4.272 0.685
95 HZ2 LYS 14 HZ2 LYS 14 13.082 -3.535 1.731
96 HZ3 LYS 14 HZ3 LYS 14 13.883 -4.958 2.203
97 H ASP 15 H ASP 15 18.395 -1.439 1.329
98 HA ASP 15 HA ASP 15 19.978 -0.998 3.659
99 HB2 ASP 15 HB2 ASP 15 20.097 -2.817 1.296
100 HB3 ASP 15 HB3 ASP 15 21.533 -2.642 2.301
101 H LEU 16 H LEU 16 20.160 -0.056 0.321
102 HA LEU 16 HA LEU 16 22.841 0.636 0.057
103 HB2 LEU 16 HB2 LEU 16 20.557 0.921 -1.480
104 HB3 LEU 16 HB3 LEU 16 21.012 2.589 -1.131
105 HG LEU 16 HG LEU 16 23.396 1.907 -1.805
106 HD11 LEU 16 HD11 LEU 16 23.794 -0.142 -2.736
107 HD12 LEU 16 HD12 LEU 16 22.201 -0.222 -3.489
108 HD13 LEU 16 HD13 LEU 16 22.388 -0.615 -1.780
109 HD21 LEU 16 HD21 LEU 16 22.765 2.016 -4.281
110 HD22 LEU 16 HD22 LEU 16 22.139 3.320 -3.273
111 HD23 LEU 16 HD23 LEU 16 21.082 1.994 -3.756
112 H LYS 17 H LYS 17 20.233 2.159 1.792
113 HA LYS 17 HA LYS 17 21.354 4.733 2.130
114 HB2 LYS 17 HB2 LYS 17 19.385 3.108 3.705
115 HB3 LYS 17 HB3 LYS 17 19.980 4.639 4.345
116 HG2 LYS 17 HG2 LYS 17 19.103 5.875 2.531
117 HG3 LYS 17 HG3 LYS 17 18.907 4.434 1.533
118 HD2 LYS 17 HD2 LYS 17 17.160 3.607 3.072
119 HD3 LYS 17 HD3 LYS 17 17.342 5.061 4.053
120 HE2 LYS 17 HE2 LYS 17 16.366 4.878 1.194
121 HE3 LYS 17 HE3 LYS 17 15.472 5.452 2.601
122 HZ1 LYS 17 HZ1 LYS 17 16.847 7.348 2.759
123 HZ2 LYS 17 HZ2 LYS 17 16.405 7.221 1.123
124 HZ3 LYS 17 HZ3 LYS 17 17.956 6.743 1.627
125 H GLU 18 H GLU 18 21.563 1.834 4.153
126 HA GLU 18 HA GLU 18 23.299 2.948 6.095
127 HB2 GLU 18 HB2 GLU 18 22.025 0.898 6.522
128 HB3 GLU 18 HB3 GLU 18 22.931 0.061 5.262
129 HG2 GLU 18 HG2 GLU 18 24.583 1.416 7.307
130 HG3 GLU 18 HG3 GLU 18 23.637 0.048 7.893
131 H LYS 19 H LYS 19 23.871 1.017 3.182
132 HA LYS 19 HA LYS 19 26.675 0.842 3.388
133 HB2 LYS 19 HB2 LYS 19 24.894 -0.247 1.712
134 HB3 LYS 19 HB3 LYS 19 25.434 1.086 0.691
135 HG2 LYS 19 HG2 LYS 19 26.919 -0.687 0.175
136 HG3 LYS 19 HG3 LYS 19 27.828 0.335 1.289
137 HD2 LYS 19 HD2 LYS 19 28.150 -1.551 2.500
138 HD3 LYS 19 HD3 LYS 19 26.467 -1.366 2.995
139 HE2 LYS 19 HE2 LYS 19 27.621 -3.140 0.858
140 HE3 LYS 19 HE3 LYS 19 26.499 -3.553 2.155
141 HZ1 LYS 19 HZ1 LYS 19 25.908 -2.759 -0.466
142 HZ2 LYS 19 HZ2 LYS 19 25.319 -1.564 0.590
143 HZ3 LYS 19 HZ3 LYS 19 24.830 -3.181 0.773
144 H LYS 20 H LYS 20 24.529 3.299 2.063
145 HA LYS 20 HA LYS 20 26.518 4.890 0.814
146 HB2 LYS 20 HB2 LYS 20 23.999 5.029 0.472
147 HB3 LYS 20 HB3 LYS 20 23.933 5.906 2.002
148 HG2 LYS 20 HG2 LYS 20 25.932 7.264 0.773
149 HG3 LYS 20 HG3 LYS 20 24.980 6.780 -0.632
150 HD2 LYS 20 HD2 LYS 20 23.818 8.144 1.814
151 HD3 LYS 20 HD3 LYS 20 24.279 8.990 0.336
152 HE2 LYS 20 HE2 LYS 20 22.670 7.740 -0.962
153 HE3 LYS 20 HE3 LYS 20 22.307 6.693 0.409
154 HZ1 LYS 20 HZ1 LYS 20 20.606 8.244 0.438
155 HZ2 LYS 20 HZ2 LYS 20 21.627 9.538 0.028
156 HZ3 LYS 20 HZ3 LYS 20 21.691 8.862 1.585
157 H GLU 21 H GLU 21 25.095 4.868 4.053
158 HA GLU 21 HA GLU 21 26.257 7.199 5.074
159 HB2 GLU 21 HB2 GLU 21 24.563 5.434 6.112
160 HB3 GLU 21 HB3 GLU 21 26.042 4.791 6.827
161 HG2 GLU 21 HG2 GLU 21 25.136 6.407 8.372
162 HG3 GLU 21 HG3 GLU 21 26.567 7.122 7.633
163 H VAL 22 H VAL 22 27.499 3.885 4.910
164 HA VAL 22 HA VAL 22 29.888 4.276 6.330
165 HB VAL 22 HB VAL 22 29.225 2.387 4.062
166 HG11 VAL 22 HG11 VAL 22 31.202 1.096 5.013
167 HG12 VAL 22 HG12 VAL 22 31.632 2.565 5.887
168 HG13 VAL 22 HG13 VAL 22 31.615 2.563 4.124
169 HG21 VAL 22 HG21 VAL 22 28.224 2.470 6.609
170 HG22 VAL 22 HG22 VAL 22 29.632 1.431 6.828
171 HG23 VAL 22 HG23 VAL 22 28.386 0.993 5.658
172 H VAL 23 H VAL 23 28.915 5.289 3.177
173 HA VAL 23 HA VAL 23 31.314 5.489 1.798
174 HB VAL 23 HB VAL 23 28.908 6.086 1.051
175 HG11 VAL 23 HG11 VAL 23 29.689 8.911 1.591
176 HG12 VAL 23 HG12 VAL 23 29.044 7.985 2.945
177 HG13 VAL 23 HG13 VAL 23 28.083 8.192 1.480
178 HG21 VAL 23 HG21 VAL 23 31.375 7.667 0.279
179 HG22 VAL 23 HG22 VAL 23 29.864 7.742 -0.628
180 HG23 VAL 23 HG23 VAL 23 30.740 6.217 -0.500
181 H GLU 24 H GLU 24 30.228 7.269 4.563
182 HA GLU 24 HA GLU 24 31.644 9.641 4.396
183 HB2 GLU 24 HB2 GLU 24 30.318 8.189 6.418
184 HB3 GLU 24 HB3 GLU 24 31.930 8.537 7.043
185 HG2 GLU 24 HG2 GLU 24 31.628 10.926 6.436
186 HG3 GLU 24 HG3 GLU 24 29.994 10.563 5.884
187 H GLU 25 H GLU 25 32.770 6.408 5.194
188 HA GLU 25 HA GLU 25 35.347 6.984 6.101
189 HB2 GLU 25 HB2 GLU 25 34.101 4.715 5.938
190 HB3 GLU 25 HB3 GLU 25 34.754 4.643 4.302
191 HG2 GLU 25 HG2 GLU 25 37.010 4.726 5.100
192 HG3 GLU 25 HG3 GLU 25 36.486 5.145 6.731
193 H ALA 26 H ALA 26 33.923 7.489 3.063
194 HA ALA 26 HA ALA 26 36.127 7.172 1.327
195 HB1 ALA 26 HB1 ALA 26 33.864 7.460 0.464
196 HB2 ALA 26 HB2 ALA 26 34.902 8.741 -0.161
197 HB3 ALA 26 HB3 ALA 26 33.781 9.080 1.158
198 H GLU 27 H GLU 27 35.294 9.607 3.647
199 HA GLU 27 HA GLU 27 36.946 11.703 2.637
200 HB2 GLU 27 HB2 GLU 27 35.027 11.604 4.529
201 HB3 GLU 27 HB3 GLU 27 36.457 11.529 5.558
202 HG2 GLU 27 HG2 GLU 27 37.242 13.492 3.897
203 HG3 GLU 27 HG3 GLU 27 35.498 13.732 3.802
204 H ASN 28 H ASN 28 37.636 8.733 4.065
205 HA ASN 28 HA ASN 28 40.435 9.138 4.037
206 HB2 ASN 28 HB2 ASN 28 39.360 10.277 6.272
207 HB3 ASN 28 HB3 ASN 28 39.706 8.647 6.850
208 HD21 ASN 28 HD21 ASN 28 41.110 11.694 6.350
209 HD22 ASN 28 HD22 ASN 28 42.740 11.222 6.400
Start of MODEL 3
1 H1 ACE 0 H1 ACE 0 28.636 -20.682 -0.539
2 H2 ACE 0 H2 ACE 0 30.001 -19.622 -0.899
3 H3 ACE 0 H3 ACE 0 28.742 -19.881 -2.108
4 H SER 1 H SER 1 27.237 -19.769 0.832
5 HA SER 1 HA SER 1 25.915 -18.218 1.892
6 HB2 SER 1 HB2 SER 1 27.357 -15.813 1.174
7 HB3 SER 1 HB3 SER 1 27.161 -16.565 2.754
8 HG SER 1 HG SER 1 28.926 -17.818 2.376
9 H ASP 2 H ASP 2 26.251 -18.430 -1.320
10 HA ASP 2 HA ASP 2 25.178 -16.135 -2.457
11 HB2 ASP 2 HB2 ASP 2 24.213 -18.733 -3.513
12 HB3 ASP 2 HB3 ASP 2 24.973 -17.383 -4.355
13 H ALA 3 H ALA 3 23.545 -18.807 -0.822
14 HA ALA 3 HA ALA 3 20.900 -18.185 -1.519
15 HB1 ALA 3 HB1 ALA 3 20.391 -19.896 -0.143
16 HB2 ALA 3 HB2 ALA 3 21.218 -19.150 1.224
17 HB3 ALA 3 HB3 ALA 3 22.133 -20.091 0.047
18 H ALA 4 H ALA 4 23.085 -16.685 0.724
19 HA ALA 4 HA ALA 4 21.320 -15.407 2.466
20 HB1 ALA 4 HB1 ALA 4 23.858 -15.440 2.579
21 HB2 ALA 4 HB2 ALA 4 23.101 -13.892 2.948
22 HB3 ALA 4 HB3 ALA 4 23.843 -14.156 1.370
23 H VAL 5 H VAL 5 22.039 -14.773 -0.871
24 HA VAL 5 HA VAL 5 21.237 -12.102 -1.079
25 HB VAL 5 HB VAL 5 20.988 -14.343 -3.100
26 HG11 VAL 5 HG11 VAL 5 20.280 -11.477 -3.146
27 HG12 VAL 5 HG12 VAL 5 19.734 -12.787 -4.191
28 HG13 VAL 5 HG13 VAL 5 21.284 -12.004 -4.496
29 HG21 VAL 5 HG21 VAL 5 23.111 -12.231 -2.599
30 HG22 VAL 5 HG22 VAL 5 23.081 -13.304 -3.998
31 HG23 VAL 5 HG23 VAL 5 23.294 -13.971 -2.379
32 H ASP 6 H ASP 6 19.363 -15.108 -1.133
33 HA ASP 6 HA ASP 6 16.886 -13.982 -1.868
34 HB2 ASP 6 HB2 ASP 6 17.764 -16.467 -0.477
35 HB3 ASP 6 HB3 ASP 6 16.073 -15.999 -0.311
36 H THR 7 H THR 7 18.491 -14.393 1.237
37 HA THR 7 HA THR 7 16.389 -13.441 2.874
38 HB THR 7 HB THR 7 17.976 -13.378 4.613
39 HG1 THR 7 HG1 THR 7 19.673 -12.649 2.538
40 HG21 THR 7 HG21 THR 7 19.124 -15.319 2.587
41 HG22 THR 7 HG22 THR 7 17.694 -15.632 3.572
42 HG23 THR 7 HG23 THR 7 19.267 -15.425 4.341
43 H SER 8 H SER 8 18.994 -11.884 1.104
44 HA SER 8 HA SER 8 19.017 -9.339 2.138
45 HB2 SER 8 HB2 SER 8 20.362 -10.327 0.179
46 HB3 SER 8 HB3 SER 8 19.021 -9.805 -0.835
47 HG SER 8 HG SER 8 19.375 -7.709 -0.188
48 H SER 9 H SER 9 16.443 -10.857 0.371
49 HA SER 9 HA SER 9 15.104 -8.649 -0.685
50 HB2 SER 9 HB2 SER 9 14.497 -11.394 -0.194
51 HB3 SER 9 HB3 SER 9 13.143 -10.423 0.365
52 HG SER 9 HG SER 9 13.996 -9.397 -1.922
53 H GLU 10 H GLU 10 15.012 -9.984 2.595
54 HA GLU 10 HA GLU 10 12.975 -8.265 3.574
55 HB2 GLU 10 HB2 GLU 10 14.658 -10.343 4.601
56 HB3 GLU 10 HB3 GLU 10 14.736 -8.963 5.695
57 HG2 GLU 10 HG2 GLU 10 12.396 -8.966 6.049
58 HG3 GLU 10 HG3 GLU 10 12.099 -9.980 4.638
59 H ILE 11 H ILE 11 16.224 -7.695 2.739
60 HA ILE 11 HA ILE 11 16.066 -5.006 3.894
61 HB ILE 11 HB ILE 11 18.629 -5.479 4.484
62 HG12 ILE 11 HG12 ILE 11 17.314 -8.139 5.079
63 HG13 ILE 11 HG13 ILE 11 18.297 -7.878 3.639
64 HG21 ILE 11 HG21 ILE 11 17.558 -4.756 6.353
65 HG22 ILE 11 HG22 ILE 11 17.442 -6.470 6.758
66 HG23 ILE 11 HG23 ILE 11 16.089 -5.657 5.972
67 HD11 ILE 11 HD11 ILE 11 19.644 -8.828 5.479
68 HD12 ILE 11 HD12 ILE 11 19.221 -7.449 6.494
69 HD13 ILE 11 HD13 ILE 11 20.203 -7.212 5.048
70 H THR 12 H THR 12 16.031 -4.001 1.942
71 HA THR 12 HA THR 12 18.491 -4.165 0.351
72 HB THR 12 HB THR 12 16.360 -3.792 -1.487
73 HG1 THR 12 HG1 THR 12 15.119 -5.565 -1.138
74 HG21 THR 12 HG21 THR 12 17.348 -5.670 -2.582
75 HG22 THR 12 HG22 THR 12 17.998 -6.300 -1.068
76 HG23 THR 12 HG23 THR 12 18.673 -4.832 -1.775
77 H THR 13 H THR 13 15.319 -2.568 0.138
78 HA THR 13 HA THR 13 16.146 -0.138 -0.868
79 HB THR 13 HB THR 13 14.145 0.770 0.569
80 HG1 THR 13 HG1 THR 13 14.420 -1.398 1.775
81 HG21 THR 13 HG21 THR 13 12.600 -0.697 -1.006
82 HG22 THR 13 HG22 THR 13 14.147 -1.171 -1.711
83 HG23 THR 13 HG23 THR 13 13.672 0.527 -1.685
84 H LYS 14 H LYS 14 16.060 -1.206 2.505
85 HA LYS 14 HA LYS 14 17.027 1.290 3.557
86 HB2 LYS 14 HB2 LYS 14 16.705 -1.485 4.700
87 HB3 LYS 14 HB3 LYS 14 17.439 -0.175 5.622
88 HG2 LYS 14 HG2 LYS 14 14.903 0.552 4.305
89 HG3 LYS 14 HG3 LYS 14 14.742 -0.700 5.536
90 HD2 LYS 14 HD2 LYS 14 16.147 0.835 7.048
91 HD3 LYS 14 HD3 LYS 14 15.836 2.098 5.857
92 HE2 LYS 14 HE2 LYS 14 14.119 2.309 7.513
93 HE3 LYS 14 HE3 LYS 14 13.360 1.555 6.111
94 HZ1 LYS 14 HZ1 LYS 14 13.341 -0.509 7.127
95 HZ2 LYS 14 HZ2 LYS 14 12.969 0.535 8.415
96 HZ3 LYS 14 HZ3 LYS 14 14.538 -0.093 8.253
97 H ASP 15 H ASP 15 18.437 -1.757 2.535
98 HA ASP 15 HA ASP 15 21.019 -1.439 3.600
99 HB2 ASP 15 HB2 ASP 15 19.735 -3.306 2.045
100 HB3 ASP 15 HB3 ASP 15 20.934 -2.639 0.939
101 H LEU 16 H LEU 16 19.451 -0.084 0.793
102 HA LEU 16 HA LEU 16 21.634 0.789 -0.690
103 HB2 LEU 16 HB2 LEU 16 18.807 1.405 -0.506
104 HB3 LEU 16 HB3 LEU 16 19.747 2.867 -0.806
105 HG LEU 16 HG LEU 16 20.190 0.323 -2.376
106 HD11 LEU 16 HD11 LEU 16 17.870 0.936 -2.731
107 HD12 LEU 16 HD12 LEU 16 18.797 1.410 -4.155
108 HD13 LEU 16 HD13 LEU 16 18.313 2.626 -2.972
109 HD21 LEU 16 HD21 LEU 16 21.138 3.147 -2.466
110 HD22 LEU 16 HD22 LEU 16 20.826 2.365 -4.016
111 HD23 LEU 16 HD23 LEU 16 21.986 1.661 -2.892
112 H LYS 17 H LYS 17 20.311 1.897 2.317
113 HA LYS 17 HA LYS 17 21.599 4.451 2.398
114 HB2 LYS 17 HB2 LYS 17 20.533 2.654 4.585
115 HB3 LYS 17 HB3 LYS 17 21.182 4.266 4.880
116 HG2 LYS 17 HG2 LYS 17 19.496 5.290 3.511
117 HG3 LYS 17 HG3 LYS 17 18.953 3.726 2.904
118 HD2 LYS 17 HD2 LYS 17 17.391 3.891 4.549
119 HD3 LYS 17 HD3 LYS 17 18.704 3.356 5.600
120 HE2 LYS 17 HE2 LYS 17 17.774 6.186 5.088
121 HE3 LYS 17 HE3 LYS 17 17.821 5.324 6.626
122 HZ1 LYS 17 HZ1 LYS 17 20.087 6.352 5.028
123 HZ2 LYS 17 HZ2 LYS 17 20.306 5.170 6.228
124 HZ3 LYS 17 HZ3 LYS 17 19.692 6.699 6.640
125 H GLU 18 H GLU 18 22.590 1.195 3.223
126 HA GLU 18 HA GLU 18 24.889 1.856 4.737
127 HB2 GLU 18 HB2 GLU 18 24.165 -0.390 4.882
128 HB3 GLU 18 HB3 GLU 18 24.109 -0.574 3.129
129 HG2 GLU 18 HG2 GLU 18 26.416 -0.765 2.934
130 HG3 GLU 18 HG3 GLU 18 26.718 0.126 4.424
131 H LYS 19 H LYS 19 24.224 1.718 1.311
132 HA LYS 19 HA LYS 19 26.922 1.708 0.398
133 HB2 LYS 19 HB2 LYS 19 24.488 2.838 -1.007
134 HB3 LYS 19 HB3 LYS 19 26.006 2.337 -1.753
135 HG2 LYS 19 HG2 LYS 19 24.229 0.467 -0.167
136 HG3 LYS 19 HG3 LYS 19 24.156 0.625 -1.922
137 HD2 LYS 19 HD2 LYS 19 26.804 0.265 -1.655
138 HD3 LYS 19 HD3 LYS 19 26.266 -0.604 -0.217
139 HE2 LYS 19 HE2 LYS 19 24.557 -1.737 -1.811
140 HE3 LYS 19 HE3 LYS 19 25.607 -1.156 -3.104
141 HZ1 LYS 19 HZ1 LYS 19 26.181 -3.108 -0.983
142 HZ2 LYS 19 HZ2 LYS 19 27.456 -2.206 -1.653
143 HZ3 LYS 19 HZ3 LYS 19 26.504 -3.203 -2.645
144 H LYS 20 H LYS 20 24.590 4.273 1.140
145 HA LYS 20 HA LYS 20 26.322 6.406 0.315
146 HB2 LYS 20 HB2 LYS 20 24.078 6.699 2.303
147 HB3 LYS 20 HB3 LYS 20 24.670 7.875 1.133
148 HG2 LYS 20 HG2 LYS 20 23.439 5.253 0.273
149 HG3 LYS 20 HG3 LYS 20 22.464 6.694 0.559
150 HD2 LYS 20 HD2 LYS 20 23.678 7.933 -1.126
151 HD3 LYS 20 HD3 LYS 20 24.835 6.617 -1.323
152 HE2 LYS 20 HE2 LYS 20 21.912 6.069 -1.729
153 HE3 LYS 20 HE3 LYS 20 22.829 6.857 -3.013
154 HZ1 LYS 20 HZ1 LYS 20 24.440 5.025 -2.878
155 HZ2 LYS 20 HZ2 LYS 20 22.890 4.496 -3.324
156 HZ3 LYS 20 HZ3 LYS 20 23.453 4.249 -1.739
157 H GLU 21 H GLU 21 25.797 4.599 3.243
158 HA GLU 21 HA GLU 21 27.146 6.418 4.992
159 HB2 GLU 21 HB2 GLU 21 25.924 3.775 5.166
160 HB3 GLU 21 HB3 GLU 21 27.398 3.897 6.127
161 HG2 GLU 21 HG2 GLU 21 25.179 5.956 6.227
162 HG3 GLU 21 HG3 GLU 21 25.282 4.591 7.338
163 H VAL 22 H VAL 22 28.139 3.615 3.069
164 HA VAL 22 HA VAL 22 30.730 3.296 4.108
165 HB VAL 22 HB VAL 22 29.588 2.708 1.375
166 HG11 VAL 22 HG11 VAL 22 31.690 1.110 1.425
167 HG12 VAL 22 HG12 VAL 22 32.337 2.334 2.515
168 HG13 VAL 22 HG13 VAL 22 31.859 2.778 0.877
169 HG21 VAL 22 HG21 VAL 22 29.124 0.602 2.207
170 HG22 VAL 22 HG22 VAL 22 28.957 1.534 3.695
171 HG23 VAL 22 HG23 VAL 22 30.450 0.654 3.368
172 H VAL 23 H VAL 23 29.555 5.378 1.451
173 HA VAL 23 HA VAL 23 32.114 6.228 0.599
174 HB VAL 23 HB VAL 23 30.841 8.252 -0.294
175 HG11 VAL 23 HG11 VAL 23 30.994 5.603 -1.162
176 HG12 VAL 23 HG12 VAL 23 30.507 6.990 -2.135
177 HG13 VAL 23 HG13 VAL 23 29.286 6.010 -1.325
178 HG21 VAL 23 HG21 VAL 23 29.051 8.113 1.460
179 HG22 VAL 23 HG22 VAL 23 28.471 6.641 0.678
180 HG23 VAL 23 HG23 VAL 23 28.424 8.177 -0.187
181 H GLU 24 H GLU 24 29.953 7.406 3.111
182 HA GLU 24 HA GLU 24 31.081 9.841 3.744
183 HB2 GLU 24 HB2 GLU 24 29.479 7.838 5.120
184 HB3 GLU 24 HB3 GLU 24 30.547 8.704 6.222
185 HG2 GLU 24 HG2 GLU 24 29.652 10.822 5.579
186 HG3 GLU 24 HG3 GLU 24 28.823 10.128 4.188
187 H GLU 25 H GLU 25 32.230 6.612 4.604
188 HA GLU 25 HA GLU 25 34.248 7.366 6.415
189 HB2 GLU 25 HB2 GLU 25 33.396 5.001 5.844
190 HB3 GLU 25 HB3 GLU 25 34.524 5.063 4.490
191 HG2 GLU 25 HG2 GLU 25 36.280 5.776 6.264
192 HG3 GLU 25 HG3 GLU 25 35.127 5.152 7.441
193 H ALA 26 H ALA 26 33.899 7.920 3.107
194 HA ALA 26 HA ALA 26 36.315 7.808 1.893
195 HB1 ALA 26 HB1 ALA 26 34.643 8.794 0.603
196 HB2 ALA 26 HB2 ALA 26 35.686 10.172 0.960
197 HB3 ALA 26 HB3 ALA 26 34.197 9.932 1.875
198 H GLU 27 H GLU 27 35.402 9.951 4.510
199 HA GLU 27 HA GLU 27 37.793 11.558 4.346
200 HB2 GLU 27 HB2 GLU 27 35.550 11.334 6.347
201 HB3 GLU 27 HB3 GLU 27 36.961 12.355 6.635
202 HG2 GLU 27 HG2 GLU 27 35.481 12.569 4.030
203 HG3 GLU 27 HG3 GLU 27 34.845 13.378 5.460
204 H ASN 28 H ASN 28 36.768 8.669 6.006
205 HA ASN 28 HA ASN 28 37.835 7.263 7.487
206 HB2 ASN 28 HB2 ASN 28 39.642 7.960 5.361
207 HB3 ASN 28 HB3 ASN 28 40.552 7.722 6.850
208 HD21 ASN 28 HD21 ASN 28 37.862 6.118 5.041
209 HD22 ASN 28 HD22 ASN 28 38.392 4.541 5.380
Start of MODEL 4
1 H1 ACE 0 H1 ACE 0 16.954 8.276 -13.746
2 H2 ACE 0 H2 ACE 0 15.437 8.513 -12.878
3 H3 ACE 0 H3 ACE 0 15.540 7.303 -14.156
4 H SER 1 H SER 1 15.949 5.259 -13.558
5 HA SER 1 HA SER 1 16.632 3.444 -12.320
6 HB2 SER 1 HB2 SER 1 18.626 5.307 -11.903
7 HB3 SER 1 HB3 SER 1 18.121 4.899 -10.265
8 HG SER 1 HG SER 1 18.300 2.736 -11.931
9 H ASP 2 H ASP 2 15.623 6.316 -10.562
10 HA ASP 2 HA ASP 2 14.952 5.276 -8.097
11 HB2 ASP 2 HB2 ASP 2 14.452 7.651 -9.490
12 HB3 ASP 2 HB3 ASP 2 12.858 7.038 -9.054
13 H ALA 3 H ALA 3 13.217 5.013 -11.151
14 HA ALA 3 HA ALA 3 10.786 3.992 -10.220
15 HB1 ALA 3 HB1 ALA 3 10.513 4.277 -12.440
16 HB2 ALA 3 HB2 ALA 3 11.193 2.657 -12.596
17 HB3 ALA 3 HB3 ALA 3 12.234 4.071 -12.766
18 H ALA 4 H ALA 4 13.922 2.534 -10.435
19 HA ALA 4 HA ALA 4 13.456 -0.157 -10.604
20 HB1 ALA 4 HB1 ALA 4 15.398 -0.428 -9.017
21 HB2 ALA 4 HB2 ALA 4 15.363 1.318 -8.775
22 HB3 ALA 4 HB3 ALA 4 15.709 0.657 -10.372
23 H VAL 5 H VAL 5 12.216 1.964 -8.278
24 HA VAL 5 HA VAL 5 12.017 0.656 -5.917
25 HB VAL 5 HB VAL 5 10.078 2.343 -7.446
26 HG11 VAL 5 HG11 VAL 5 9.461 0.632 -5.046
27 HG12 VAL 5 HG12 VAL 5 8.480 0.912 -6.485
28 HG13 VAL 5 HG13 VAL 5 8.647 2.181 -5.271
29 HG21 VAL 5 HG21 VAL 5 10.717 3.953 -5.942
30 HG22 VAL 5 HG22 VAL 5 12.132 2.913 -5.772
31 HG23 VAL 5 HG23 VAL 5 10.814 2.807 -4.604
32 H ASP 6 H ASP 6 10.332 -0.097 -8.922
33 HA ASP 6 HA ASP 6 8.584 -2.068 -7.894
34 HB2 ASP 6 HB2 ASP 6 8.530 -1.093 -10.234
35 HB3 ASP 6 HB3 ASP 6 9.915 -2.114 -10.615
36 H THR 7 H THR 7 11.909 -2.125 -9.022
37 HA THR 7 HA THR 7 12.375 -4.909 -8.781
38 HB THR 7 HB THR 7 14.704 -4.373 -8.933
39 HG1 THR 7 HG1 THR 7 15.386 -2.204 -8.612
40 HG21 THR 7 HG21 THR 7 14.030 -3.929 -11.066
41 HG22 THR 7 HG22 THR 7 14.458 -2.275 -10.629
42 HG23 THR 7 HG23 THR 7 12.777 -2.803 -10.545
43 H SER 8 H SER 8 12.006 -2.361 -6.496
44 HA SER 8 HA SER 8 13.530 -2.907 -4.346
45 HB2 SER 8 HB2 SER 8 11.616 -2.360 -2.885
46 HB3 SER 8 HB3 SER 8 11.713 -1.268 -4.261
47 HG SER 8 HG SER 8 9.585 -2.168 -3.802
48 H SER 9 H SER 9 11.290 -5.069 -5.812
49 HA SER 9 HA SER 9 10.682 -6.859 -3.778
50 HB2 SER 9 HB2 SER 9 9.687 -7.609 -5.688
51 HB3 SER 9 HB3 SER 9 10.994 -7.025 -6.715
52 HG SER 9 HG SER 9 10.791 -9.421 -5.241
53 H GLU 10 H GLU 10 13.570 -6.700 -5.828
54 HA GLU 10 HA GLU 10 14.935 -8.870 -4.568
55 HB2 GLU 10 HB2 GLU 10 15.487 -6.862 -6.633
56 HB3 GLU 10 HB3 GLU 10 16.899 -7.286 -5.666
57 HG2 GLU 10 HG2 GLU 10 16.560 -9.657 -6.135
58 HG3 GLU 10 HG3 GLU 10 15.070 -9.298 -7.007
59 H ILE 11 H ILE 11 13.986 -6.061 -3.305
60 HA ILE 11 HA ILE 11 14.595 -4.727 -1.557
61 HB ILE 11 HB ILE 11 15.574 -5.793 0.324
62 HG12 ILE 11 HG12 ILE 11 16.485 -8.201 -1.202
63 HG13 ILE 11 HG13 ILE 11 17.516 -6.773 -1.245
64 HG21 ILE 11 HG21 ILE 11 14.342 -8.101 -1.175
65 HG22 ILE 11 HG22 ILE 11 13.377 -6.713 -0.673
66 HG23 ILE 11 HG23 ILE 11 14.198 -7.700 0.536
67 HD11 ILE 11 HD11 ILE 11 16.452 -7.611 1.410
68 HD12 ILE 11 HD12 ILE 11 18.003 -6.881 1.000
69 HD13 ILE 11 HD13 ILE 11 17.728 -8.596 0.696
70 H THR 12 H THR 12 17.113 -4.713 -0.138
71 HA THR 12 HA THR 12 19.349 -4.052 -0.387
72 HB THR 12 HB THR 12 18.948 -3.492 -3.303
73 HG1 THR 12 HG1 THR 12 19.680 -6.038 -2.368
74 HG21 THR 12 HG21 THR 12 21.323 -4.898 -2.254
75 HG22 THR 12 HG22 THR 12 21.081 -3.273 -1.612
76 HG23 THR 12 HG23 THR 12 21.221 -3.523 -3.353
77 H THR 13 H THR 13 16.503 -2.498 -1.359
78 HA THR 13 HA THR 13 17.396 0.083 -1.999
79 HB THR 13 HB THR 13 14.859 -0.786 -0.595
80 HG1 THR 13 HG1 THR 13 14.061 -0.969 -2.591
81 HG21 THR 13 HG21 THR 13 13.985 1.392 -1.482
82 HG22 THR 13 HG22 THR 13 15.636 1.819 -1.930
83 HG23 THR 13 HG23 THR 13 15.216 1.582 -0.234
84 H LYS 14 H LYS 14 16.500 -1.329 1.147
85 HA LYS 14 HA LYS 14 17.101 1.018 2.650
86 HB2 LYS 14 HB2 LYS 14 15.641 -0.858 3.452
87 HB3 LYS 14 HB3 LYS 14 17.091 -1.845 3.629
88 HG2 LYS 14 HG2 LYS 14 17.699 0.591 4.901
89 HG3 LYS 14 HG3 LYS 14 16.053 0.201 5.402
90 HD2 LYS 14 HD2 LYS 14 16.997 -2.200 5.798
91 HD3 LYS 14 HD3 LYS 14 18.571 -1.404 5.792
92 HE2 LYS 14 HE2 LYS 14 16.243 -0.621 7.570
93 HE3 LYS 14 HE3 LYS 14 17.623 -1.589 8.086
94 HZ1 LYS 14 HZ1 LYS 14 18.998 0.361 7.200
95 HZ2 LYS 14 HZ2 LYS 14 18.204 0.551 8.690
96 HZ3 LYS 14 HZ3 LYS 14 17.553 1.246 7.283
97 H ASP 15 H ASP 15 18.929 -1.832 1.687
98 HA ASP 15 HA ASP 15 21.212 -1.493 3.275
99 HB2 ASP 15 HB2 ASP 15 20.774 -2.661 0.540
100 HB3 ASP 15 HB3 ASP 15 22.383 -2.585 1.255
101 H LEU 16 H LEU 16 20.183 0.048 0.298
102 HA LEU 16 HA LEU 16 22.540 1.302 -0.499
103 HB2 LEU 16 HB2 LEU 16 19.946 1.351 -1.359
104 HB3 LEU 16 HB3 LEU 16 20.105 2.966 -0.667
105 HG LEU 16 HG LEU 16 20.746 2.999 -3.035
106 HD11 LEU 16 HD11 LEU 16 23.329 3.155 -1.498
107 HD12 LEU 16 HD12 LEU 16 22.024 4.290 -1.159
108 HD13 LEU 16 HD13 LEU 16 22.734 4.218 -2.772
109 HD21 LEU 16 HD21 LEU 16 23.210 1.450 -2.713
110 HD22 LEU 16 HD22 LEU 16 21.998 1.374 -3.993
111 HD23 LEU 16 HD23 LEU 16 21.762 0.467 -2.498
112 H LYS 17 H LYS 17 20.359 1.958 2.125
113 HA LYS 17 HA LYS 17 21.287 4.591 2.734
114 HB2 LYS 17 HB2 LYS 17 19.107 3.657 3.514
115 HB3 LYS 17 HB3 LYS 17 19.997 2.588 4.598
116 HG2 LYS 17 HG2 LYS 17 20.839 4.398 5.875
117 HG3 LYS 17 HG3 LYS 17 20.415 5.577 4.633
118 HD2 LYS 17 HD2 LYS 17 18.144 3.986 5.650
119 HD3 LYS 17 HD3 LYS 17 18.883 5.062 6.837
120 HE2 LYS 17 HE2 LYS 17 18.542 6.982 5.435
121 HE3 LYS 17 HE3 LYS 17 18.080 5.972 4.064
122 HZ1 LYS 17 HZ1 LYS 17 16.063 5.442 5.024
123 HZ2 LYS 17 HZ2 LYS 17 16.250 7.073 5.464
124 HZ3 LYS 17 HZ3 LYS 17 16.570 5.842 6.592
125 H GLU 18 H GLU 18 22.185 1.351 3.782
126 HA GLU 18 HA GLU 18 24.079 2.263 5.747
127 HB2 GLU 18 HB2 GLU 18 22.997 0.063 5.947
128 HB3 GLU 18 HB3 GLU 18 23.757 -0.449 4.440
129 HG2 GLU 18 HG2 GLU 18 25.681 0.660 6.342
130 HG3 GLU 18 HG3 GLU 18 24.837 -0.752 6.977
131 H LYS 19 H LYS 19 24.189 1.194 2.392
132 HA LYS 19 HA LYS 19 27.052 1.219 2.202
133 HB2 LYS 19 HB2 LYS 19 25.887 -0.165 0.647
134 HB3 LYS 19 HB3 LYS 19 24.846 1.166 0.138
135 HG2 LYS 19 HG2 LYS 19 26.397 1.980 -1.299
136 HG3 LYS 19 HG3 LYS 19 27.711 1.750 -0.146
137 HD2 LYS 19 HD2 LYS 19 27.910 -0.579 -0.716
138 HD3 LYS 19 HD3 LYS 19 26.431 -0.528 -1.675
139 HE2 LYS 19 HE2 LYS 19 27.504 1.066 -3.233
140 HE3 LYS 19 HE3 LYS 19 28.990 0.983 -2.286
141 HZ1 LYS 19 HZ1 LYS 19 29.238 -0.531 -4.053
142 HZ2 LYS 19 HZ2 LYS 19 27.689 -1.190 -3.820
143 HZ3 LYS 19 HZ3 LYS 19 28.918 -1.479 -2.683
144 H LYS 20 H LYS 20 24.481 3.553 1.703
145 HA LYS 20 HA LYS 20 26.116 5.487 0.346
146 HB2 LYS 20 HB2 LYS 20 23.822 5.729 -0.074
147 HB3 LYS 20 HB3 LYS 20 23.397 5.541 1.627
148 HG2 LYS 20 HG2 LYS 20 24.310 7.704 2.172
149 HG3 LYS 20 HG3 LYS 20 25.004 7.876 0.560
150 HD2 LYS 20 HD2 LYS 20 22.529 7.570 -0.249
151 HD3 LYS 20 HD3 LYS 20 22.122 8.038 1.402
152 HE2 LYS 20 HE2 LYS 20 23.935 9.644 -0.419
153 HE3 LYS 20 HE3 LYS 20 22.220 9.979 -0.184
154 HZ1 LYS 20 HZ1 LYS 20 22.843 11.196 1.547
155 HZ2 LYS 20 HZ2 LYS 20 24.435 10.603 1.505
156 HZ3 LYS 20 HZ3 LYS 20 23.229 9.751 2.345
157 H GLU 21 H GLU 21 25.285 4.772 3.669
158 HA GLU 21 HA GLU 21 26.238 7.218 4.778
159 HB2 GLU 21 HB2 GLU 21 25.161 6.350 6.540
160 HB3 GLU 21 HB3 GLU 21 25.022 4.798 5.720
161 HG2 GLU 21 HG2 GLU 21 26.196 4.504 7.839
162 HG3 GLU 21 HG3 GLU 21 27.308 4.207 6.505
163 H VAL 22 H VAL 22 27.709 4.052 4.171
164 HA VAL 22 HA VAL 22 30.136 4.497 5.521
165 HB VAL 22 HB VAL 22 29.207 2.323 4.430
166 HG11 VAL 22 HG11 VAL 22 31.057 2.871 2.184
167 HG12 VAL 22 HG12 VAL 22 29.520 3.729 2.115
168 HG13 VAL 22 HG13 VAL 22 29.541 1.970 2.201
169 HG21 VAL 22 HG21 VAL 22 31.409 2.684 5.657
170 HG22 VAL 22 HG22 VAL 22 32.152 2.939 4.078
171 HG23 VAL 22 HG23 VAL 22 31.418 1.383 4.465
172 H VAL 23 H VAL 23 28.954 5.652 2.455
173 HA VAL 23 HA VAL 23 31.306 6.267 1.122
174 HB VAL 23 HB VAL 23 28.872 8.056 1.213
175 HG11 VAL 23 HG11 VAL 23 29.546 8.620 -1.062
176 HG12 VAL 23 HG12 VAL 23 30.863 7.449 -0.994
177 HG13 VAL 23 HG13 VAL 23 30.911 8.888 0.024
178 HG21 VAL 23 HG21 VAL 23 29.380 5.592 -0.484
179 HG22 VAL 23 HG22 VAL 23 27.973 6.649 -0.588
180 HG23 VAL 23 HG23 VAL 23 28.242 5.676 0.859
181 H GLU 24 H GLU 24 29.716 7.996 3.758
182 HA GLU 24 HA GLU 24 31.250 10.349 3.692
183 HB2 GLU 24 HB2 GLU 24 29.352 9.116 5.451
184 HB3 GLU 24 HB3 GLU 24 30.712 9.712 6.404
185 HG2 GLU 24 HG2 GLU 24 29.149 11.334 4.372
186 HG3 GLU 24 HG3 GLU 24 28.982 11.457 6.123
187 H GLU 25 H GLU 25 31.843 7.221 5.222
188 HA GLU 25 HA GLU 25 34.154 7.933 6.672
189 HB2 GLU 25 HB2 GLU 25 32.805 5.771 6.851
190 HB3 GLU 25 HB3 GLU 25 33.673 5.227 5.415
191 HG2 GLU 25 HG2 GLU 25 35.406 6.362 7.515
192 HG3 GLU 25 HG3 GLU 25 34.565 4.888 7.988
193 H ALA 26 H ALA 26 33.557 7.722 3.360
194 HA ALA 26 HA ALA 26 35.789 6.762 2.133
195 HB1 ALA 26 HB1 ALA 26 35.468 8.603 0.433
196 HB2 ALA 26 HB2 ALA 26 34.240 9.280 1.503
197 HB3 ALA 26 HB3 ALA 26 34.015 7.675 0.806
198 H GLU 27 H GLU 27 35.509 9.747 3.954
199 HA GLU 27 HA GLU 27 37.838 11.062 3.216
200 HB2 GLU 27 HB2 GLU 27 37.733 12.182 5.353
201 HB3 GLU 27 HB3 GLU 27 36.085 11.938 4.776
202 HG2 GLU 27 HG2 GLU 27 35.911 9.899 6.174
203 HG3 GLU 27 HG3 GLU 27 37.542 10.190 6.779
204 H ASN 28 H ASN 28 37.565 8.004 4.573
205 HA ASN 28 HA ASN 28 39.068 6.522 5.480
206 HB2 ASN 28 HB2 ASN 28 40.235 7.346 3.327
207 HB3 ASN 28 HB3 ASN 28 41.253 8.293 4.409
208 HD21 ASN 28 HD21 ASN 28 40.344 5.570 6.130
209 HD22 ASN 28 HD22 ASN 28 41.677 4.579 5.782
Start of MODEL 5
1 H1 ACE 0 H1 ACE 0 10.582 -13.768 14.613
2 H2 ACE 0 H2 ACE 0 11.006 -14.839 13.278
3 H3 ACE 0 H3 ACE 0 9.356 -14.814 13.898
4 H SER 1 H SER 1 11.631 -12.215 13.016
5 HA SER 1 HA SER 1 9.826 -11.366 10.863
6 HB2 SER 1 HB2 SER 1 10.102 -10.030 13.418
7 HB3 SER 1 HB3 SER 1 10.613 -8.978 12.102
8 HG SER 1 HG SER 1 8.590 -9.673 11.060
9 H ASP 2 H ASP 2 12.938 -11.377 12.417
10 HA ASP 2 HA ASP 2 14.347 -9.590 10.774
11 HB2 ASP 2 HB2 ASP 2 15.179 -12.041 12.318
12 HB3 ASP 2 HB3 ASP 2 16.338 -11.095 11.385
13 H ALA 3 H ALA 3 13.412 -12.947 10.293
14 HA ALA 3 HA ALA 3 15.063 -13.597 8.129
15 HB1 ALA 3 HB1 ALA 3 12.284 -14.506 8.880
16 HB2 ALA 3 HB2 ALA 3 13.810 -15.349 9.142
17 HB3 ALA 3 HB3 ALA 3 13.166 -15.178 7.508
18 H ALA 4 H ALA 4 12.418 -11.412 8.326
19 HA ALA 4 HA ALA 4 11.417 -11.451 5.715
20 HB1 ALA 4 HB1 ALA 4 10.249 -10.141 7.307
21 HB2 ALA 4 HB2 ALA 4 10.935 -8.977 6.173
22 HB3 ALA 4 HB3 ALA 4 11.698 -9.236 7.744
23 H VAL 5 H VAL 5 14.473 -10.465 6.902
24 HA VAL 5 HA VAL 5 15.232 -8.527 5.030
25 HB VAL 5 HB VAL 5 16.665 -10.430 6.820
26 HG11 VAL 5 HG11 VAL 5 17.913 -8.986 4.469
27 HG12 VAL 5 HG12 VAL 5 18.015 -10.704 4.855
28 HG13 VAL 5 HG13 VAL 5 18.844 -9.522 5.868
29 HG21 VAL 5 HG21 VAL 5 15.805 -7.908 7.135
30 HG22 VAL 5 HG22 VAL 5 17.379 -7.560 6.418
31 HG23 VAL 5 HG23 VAL 5 17.278 -8.493 7.911
32 H ASP 6 H ASP 6 15.287 -12.065 4.873
33 HA ASP 6 HA ASP 6 16.767 -12.309 2.488
34 HB2 ASP 6 HB2 ASP 6 14.461 -14.101 3.259
35 HB3 ASP 6 HB3 ASP 6 15.901 -14.523 2.335
36 H THR 7 H THR 7 13.350 -11.786 3.130
37 HA THR 7 HA THR 7 12.428 -11.901 0.456
38 HB THR 7 HB THR 7 11.233 -10.098 2.552
39 HG1 THR 7 HG1 THR 7 10.955 -12.914 2.355
40 HG21 THR 7 HG21 THR 7 9.137 -10.970 1.485
41 HG22 THR 7 HG22 THR 7 10.144 -11.842 0.328
42 HG23 THR 7 HG23 THR 7 10.176 -10.079 0.374
43 H SER 8 H SER 8 13.829 -9.376 2.460
44 HA SER 8 HA SER 8 13.320 -7.088 1.023
45 HB2 SER 8 HB2 SER 8 14.731 -7.447 3.171
46 HB3 SER 8 HB3 SER 8 16.087 -7.639 2.063
47 HG SER 8 HG SER 8 15.904 -5.585 1.462
48 H SER 9 H SER 9 15.341 -9.770 0.122
49 HA SER 9 HA SER 9 17.130 -8.775 -1.674
50 HB2 SER 9 HB2 SER 9 15.535 -11.263 -1.538
51 HB3 SER 9 HB3 SER 9 16.222 -10.882 -3.114
52 HG SER 9 HG SER 9 18.123 -11.341 -2.351
53 H GLU 10 H GLU 10 13.706 -8.573 -1.838
54 HA GLU 10 HA GLU 10 13.428 -8.177 -4.648
55 HB2 GLU 10 HB2 GLU 10 11.721 -8.183 -2.324
56 HB3 GLU 10 HB3 GLU 10 11.364 -6.780 -3.331
57 HG2 GLU 10 HG2 GLU 10 10.001 -8.604 -4.123
58 HG3 GLU 10 HG3 GLU 10 11.268 -8.330 -5.316
59 H ILE 11 H ILE 11 13.786 -6.003 -1.888
60 HA ILE 11 HA ILE 11 14.524 -3.844 -3.766
61 HB ILE 11 HB ILE 11 13.469 -2.253 -2.114
62 HG12 ILE 11 HG12 ILE 11 12.471 -4.891 -1.013
63 HG13 ILE 11 HG13 ILE 11 13.308 -3.604 -0.144
64 HG21 ILE 11 HG21 ILE 11 11.336 -2.437 -3.110
65 HG22 ILE 11 HG22 ILE 11 11.434 -4.195 -3.201
66 HG23 ILE 11 HG23 ILE 11 12.411 -3.202 -4.280
67 HD11 ILE 11 HD11 ILE 11 10.959 -3.447 0.405
68 HD12 ILE 11 HD12 ILE 11 10.509 -3.504 -1.300
69 HD13 ILE 11 HD13 ILE 11 11.353 -2.095 -0.657
70 H THR 12 H THR 12 16.441 -2.931 -3.337
71 HA THR 12 HA THR 12 17.616 -3.359 -0.654
72 HB THR 12 HB THR 12 19.772 -3.648 -1.647
73 HG1 THR 12 HG1 THR 12 19.542 -3.666 -4.160
74 HG21 THR 12 HG21 THR 12 19.152 -5.784 -1.986
75 HG22 THR 12 HG22 THR 12 18.775 -5.347 -3.652
76 HG23 THR 12 HG23 THR 12 17.515 -5.291 -2.420
77 H THR 13 H THR 13 16.123 -1.070 -2.132
78 HA THR 13 HA THR 13 17.967 1.053 -2.467
79 HB THR 13 HB THR 13 16.068 1.862 -3.359
80 HG1 THR 13 HG1 THR 13 15.583 2.149 -0.599
81 HG21 THR 13 HG21 THR 13 13.816 0.893 -2.711
82 HG22 THR 13 HG22 THR 13 14.678 -0.161 -1.590
83 HG23 THR 13 HG23 THR 13 14.983 -0.278 -3.323
84 H LYS 14 H LYS 14 15.825 0.207 0.260
85 HA LYS 14 HA LYS 14 16.759 2.281 1.957
86 HB2 LYS 14 HB2 LYS 14 15.555 -0.364 2.801
87 HB3 LYS 14 HB3 LYS 14 15.577 1.141 3.723
88 HG2 LYS 14 HG2 LYS 14 14.365 2.116 1.595
89 HG3 LYS 14 HG3 LYS 14 13.949 0.428 1.304
90 HD2 LYS 14 HD2 LYS 14 12.965 0.275 3.559
91 HD3 LYS 14 HD3 LYS 14 13.385 1.962 3.858
92 HE2 LYS 14 HE2 LYS 14 11.680 2.752 2.564
93 HE3 LYS 14 HE3 LYS 14 11.859 1.466 1.371
94 HZ1 LYS 14 HZ1 LYS 14 10.227 0.342 2.324
95 HZ2 LYS 14 HZ2 LYS 14 9.954 1.653 3.369
96 HZ3 LYS 14 HZ3 LYS 14 10.995 0.392 3.835
97 H ASP 15 H ASP 15 17.765 -1.051 1.425
98 HA ASP 15 HA ASP 15 19.577 -1.250 3.597
99 HB2 ASP 15 HB2 ASP 15 19.075 -2.699 1.068
100 HB3 ASP 15 HB3 ASP 15 20.697 -2.854 1.737
101 H LEU 16 H LEU 16 19.737 0.124 0.406
102 HA LEU 16 HA LEU 16 22.480 0.416 0.025
103 HB2 LEU 16 HB2 LEU 16 20.501 1.031 -1.531
104 HB3 LEU 16 HB3 LEU 16 20.509 2.579 -0.686
105 HG LEU 16 HG LEU 16 23.092 2.514 -1.193
106 HD11 LEU 16 HD11 LEU 16 23.834 1.017 -2.730
107 HD12 LEU 16 HD12 LEU 16 22.391 1.197 -3.729
108 HD13 LEU 16 HD13 LEU 16 22.371 0.112 -2.339
109 HD21 LEU 16 HD21 LEU 16 22.097 4.298 -2.233
110 HD22 LEU 16 HD22 LEU 16 20.756 3.326 -2.838
111 HD23 LEU 16 HD23 LEU 16 22.309 3.302 -3.673
112 H LYS 17 H LYS 17 20.261 2.060 2.127
113 HA LYS 17 HA LYS 17 21.602 4.419 2.718
114 HB2 LYS 17 HB2 LYS 17 20.009 2.607 4.539
115 HB3 LYS 17 HB3 LYS 17 20.523 4.237 4.974
116 HG2 LYS 17 HG2 LYS 17 19.279 5.170 3.090
117 HG3 LYS 17 HG3 LYS 17 18.828 3.550 2.555
118 HD2 LYS 17 HD2 LYS 17 17.478 3.183 4.493
119 HD3 LYS 17 HD3 LYS 17 18.137 4.605 5.304
120 HE2 LYS 17 HE2 LYS 17 17.143 6.024 3.485
121 HE3 LYS 17 HE3 LYS 17 16.364 4.576 2.847
122 HZ1 LYS 17 HZ1 LYS 17 15.265 6.187 4.668
123 HZ2 LYS 17 HZ2 LYS 17 15.994 5.035 5.682
124 HZ3 LYS 17 HZ3 LYS 17 14.873 4.545 4.503
125 H GLU 18 H GLU 18 22.092 1.192 4.070
126 HA GLU 18 HA GLU 18 24.084 1.947 5.952
127 HB2 GLU 18 HB2 GLU 18 22.669 -0.267 5.705
128 HB3 GLU 18 HB3 GLU 18 24.049 -0.784 4.736
129 HG2 GLU 18 HG2 GLU 18 24.129 0.216 7.598
130 HG3 GLU 18 HG3 GLU 18 24.419 -1.437 7.054
131 H LYS 19 H LYS 19 24.214 0.765 2.626
132 HA LYS 19 HA LYS 19 27.057 0.570 2.497
133 HB2 LYS 19 HB2 LYS 19 24.803 0.509 0.546
134 HB3 LYS 19 HB3 LYS 19 26.414 0.852 -0.082
135 HG2 LYS 19 HG2 LYS 19 27.255 -1.198 1.071
136 HG3 LYS 19 HG3 LYS 19 25.599 -1.563 1.561
137 HD2 LYS 19 HD2 LYS 19 24.994 -1.421 -0.925
138 HD3 LYS 19 HD3 LYS 19 26.729 -1.454 -1.242
139 HE2 LYS 19 HE2 LYS 19 26.075 -3.726 -1.364
140 HE3 LYS 19 HE3 LYS 19 26.770 -3.563 0.250
141 HZ1 LYS 19 HZ1 LYS 19 24.815 -4.570 0.763
142 HZ2 LYS 19 HZ2 LYS 19 23.976 -3.896 -0.551
143 HZ3 LYS 19 HZ3 LYS 19 24.295 -2.957 0.826
144 H LYS 20 H LYS 20 24.739 3.139 1.908
145 HA LYS 20 HA LYS 20 26.619 4.910 0.659
146 HB2 LYS 20 HB2 LYS 20 23.862 5.253 1.826
147 HB3 LYS 20 HB3 LYS 20 24.805 6.641 1.281
148 HG2 LYS 20 HG2 LYS 20 24.368 4.235 -0.490
149 HG3 LYS 20 HG3 LYS 20 23.213 5.566 -0.435
150 HD2 LYS 20 HD2 LYS 20 24.534 6.867 -1.715
151 HD3 LYS 20 HD3 LYS 20 25.928 6.566 -0.676
152 HE2 LYS 20 HE2 LYS 20 26.209 5.768 -3.060
153 HE3 LYS 20 HE3 LYS 20 26.446 4.519 -1.839
154 HZ1 LYS 20 HZ1 LYS 20 24.339 3.625 -2.252
155 HZ2 LYS 20 HZ2 LYS 20 24.982 3.934 -3.794
156 HZ3 LYS 20 HZ3 LYS 20 23.825 4.984 -3.127
157 H GLU 21 H GLU 21 25.624 4.181 3.908
158 HA GLU 21 HA GLU 21 26.633 6.502 5.184
159 HB2 GLU 21 HB2 GLU 21 25.939 3.725 6.091
160 HB3 GLU 21 HB3 GLU 21 26.726 4.852 7.196
161 HG2 GLU 21 HG2 GLU 21 24.240 5.581 5.638
162 HG3 GLU 21 HG3 GLU 21 24.172 4.849 7.240
163 H VAL 22 H VAL 22 28.056 3.290 4.568
164 HA VAL 22 HA VAL 22 30.483 3.737 5.924
165 HB VAL 22 HB VAL 22 31.373 1.972 4.278
166 HG11 VAL 22 HG11 VAL 22 30.634 1.350 6.489
167 HG12 VAL 22 HG12 VAL 22 29.923 0.205 5.353
168 HG13 VAL 22 HG13 VAL 22 28.941 1.508 6.024
169 HG21 VAL 22 HG21 VAL 22 29.584 0.769 3.045
170 HG22 VAL 22 HG22 VAL 22 29.786 2.422 2.462
171 HG23 VAL 22 HG23 VAL 22 28.435 2.018 3.523
172 H VAL 23 H VAL 23 29.393 4.701 2.744
173 HA VAL 23 HA VAL 23 31.787 5.251 1.462
174 HB VAL 23 HB VAL 23 29.173 6.770 1.379
175 HG11 VAL 23 HG11 VAL 23 31.778 7.343 0.192
176 HG12 VAL 23 HG12 VAL 23 30.322 8.338 0.227
177 HG13 VAL 23 HG13 VAL 23 30.530 7.122 -1.033
178 HG21 VAL 23 HG21 VAL 23 28.921 5.502 -0.757
179 HG22 VAL 23 HG22 VAL 23 29.019 4.438 0.645
180 HG23 VAL 23 HG23 VAL 23 30.424 4.650 -0.399
181 H GLU 24 H GLU 24 30.154 7.071 3.989
182 HA GLU 24 HA GLU 24 31.427 9.517 3.862
183 HB2 GLU 24 HB2 GLU 24 29.709 8.434 5.597
184 HB3 GLU 24 HB3 GLU 24 31.185 8.259 6.546
185 HG2 GLU 24 HG2 GLU 24 30.435 10.879 5.239
186 HG3 GLU 24 HG3 GLU 24 29.872 10.448 6.852
187 H GLU 25 H GLU 25 32.627 6.463 5.138
188 HA GLU 25 HA GLU 25 34.981 7.383 6.355
189 HB2 GLU 25 HB2 GLU 25 34.464 4.757 4.931
190 HB3 GLU 25 HB3 GLU 25 35.818 5.078 6.016
191 HG2 GLU 25 HG2 GLU 25 33.573 5.899 7.460
192 HG3 GLU 25 HG3 GLU 25 33.056 4.414 6.663
193 H ALA 26 H ALA 26 34.014 7.389 3.124
194 HA ALA 26 HA ALA 26 36.432 6.976 1.747
195 HB1 ALA 26 HB1 ALA 26 35.375 8.271 -0.080
196 HB2 ALA 26 HB2 ALA 26 34.091 8.750 1.030
197 HB3 ALA 26 HB3 ALA 26 34.288 7.054 0.587
198 H GLU 27 H GLU 27 34.990 9.929 3.041
199 HA GLU 27 HA GLU 27 36.926 11.736 2.105
200 HB2 GLU 27 HB2 GLU 27 34.652 12.236 3.186
201 HB3 GLU 27 HB3 GLU 27 35.486 12.059 4.729
202 HG2 GLU 27 HG2 GLU 27 37.174 13.753 3.903
203 HG3 GLU 27 HG3 GLU 27 36.116 14.032 2.521
204 H ASN 28 H ASN 28 36.806 9.750 5.011
205 HA ASN 28 HA ASN 28 39.172 10.910 6.164
206 HB2 ASN 28 HB2 ASN 28 38.549 9.776 8.001
207 HB3 ASN 28 HB3 ASN 28 37.092 9.346 7.111
208 HD21 ASN 28 HD21 ASN 28 36.984 7.181 6.162
209 HD22 ASN 28 HD22 ASN 28 38.073 5.964 6.626
Start of MODEL 6
1 H1 ACE 0 H1 ACE 0 26.002 -15.308 -14.303
2 H2 ACE 0 H2 ACE 0 26.227 -17.023 -14.647
3 H3 ACE 0 H3 ACE 0 27.618 -16.012 -14.252
4 H SER 1 H SER 1 24.408 -16.241 -12.735
5 HA SER 1 HA SER 1 23.807 -17.081 -10.652
6 HB2 SER 1 HB2 SER 1 25.254 -18.383 -9.392
7 HB3 SER 1 HB3 SER 1 25.937 -18.572 -11.004
8 HG SER 1 HG SER 1 27.646 -17.971 -9.835
9 H ASP 2 H ASP 2 26.989 -15.713 -9.943
10 HA ASP 2 HA ASP 2 26.283 -14.189 -7.763
11 HB2 ASP 2 HB2 ASP 2 28.217 -12.626 -8.860
12 HB3 ASP 2 HB3 ASP 2 28.540 -14.109 -7.964
13 H ALA 3 H ALA 3 25.933 -13.424 -11.174
14 HA ALA 3 HA ALA 3 25.408 -10.689 -11.019
15 HB1 ALA 3 HB1 ALA 3 24.296 -10.923 -13.151
16 HB2 ALA 3 HB2 ALA 3 24.063 -12.652 -12.886
17 HB3 ALA 3 HB3 ALA 3 25.687 -12.007 -13.129
18 H ALA 4 H ALA 4 23.517 -13.378 -9.965
19 HA ALA 4 HA ALA 4 20.924 -12.321 -10.080
20 HB1 ALA 4 HB1 ALA 4 21.905 -14.002 -7.781
21 HB2 ALA 4 HB2 ALA 4 21.696 -14.685 -9.393
22 HB3 ALA 4 HB3 ALA 4 20.314 -13.998 -8.542
23 H VAL 5 H VAL 5 23.545 -11.779 -7.810
24 HA VAL 5 HA VAL 5 22.139 -10.502 -5.756
25 HB VAL 5 HB VAL 5 24.970 -10.300 -6.757
26 HG11 VAL 5 HG11 VAL 5 23.558 -8.612 -4.700
27 HG12 VAL 5 HG12 VAL 5 24.696 -8.109 -5.949
28 HG13 VAL 5 HG13 VAL 5 25.274 -8.978 -4.529
29 HG21 VAL 5 HG21 VAL 5 23.679 -12.118 -5.157
30 HG22 VAL 5 HG22 VAL 5 24.318 -10.992 -3.959
31 HG23 VAL 5 HG23 VAL 5 25.411 -11.790 -5.089
32 H ASP 6 H ASP 6 23.426 -9.312 -8.824
33 HA ASP 6 HA ASP 6 22.980 -6.561 -8.392
34 HB2 ASP 6 HB2 ASP 6 24.144 -7.820 -10.389
35 HB3 ASP 6 HB3 ASP 6 22.523 -7.815 -11.082
36 H THR 7 H THR 7 20.955 -9.211 -9.471
37 HA THR 7 HA THR 7 18.647 -7.749 -10.167
38 HB THR 7 HB THR 7 18.481 -10.456 -8.883
39 HG1 THR 7 HG1 THR 7 20.340 -10.268 -10.358
40 HG21 THR 7 HG21 THR 7 16.810 -10.788 -10.656
41 HG22 THR 7 HG22 THR 7 17.190 -9.198 -11.320
42 HG23 THR 7 HG23 THR 7 16.448 -9.335 -9.727
43 H SER 8 H SER 8 19.908 -8.988 -7.117
44 HA SER 8 HA SER 8 17.666 -8.566 -5.478
45 HB2 SER 8 HB2 SER 8 20.508 -8.068 -4.596
46 HB3 SER 8 HB3 SER 8 19.161 -8.678 -3.639
47 HG SER 8 HG SER 8 20.851 -10.190 -4.616
48 H SER 9 H SER 9 19.803 -6.356 -7.011
49 HA SER 9 HA SER 9 19.704 -4.109 -5.385
50 HB2 SER 9 HB2 SER 9 21.017 -4.358 -7.511
51 HB3 SER 9 HB3 SER 9 19.521 -4.103 -8.406
52 HG SER 9 HG SER 9 20.609 -2.329 -6.469
53 H GLU 10 H GLU 10 17.208 -5.581 -7.298
54 HA GLU 10 HA GLU 10 15.452 -3.445 -7.672
55 HB2 GLU 10 HB2 GLU 10 15.357 -6.048 -8.317
56 HB3 GLU 10 HB3 GLU 10 14.280 -6.069 -6.919
57 HG2 GLU 10 HG2 GLU 10 13.087 -4.075 -7.982
58 HG3 GLU 10 HG3 GLU 10 14.012 -4.424 -9.443
59 H ILE 11 H ILE 11 15.967 -5.532 -4.880
60 HA ILE 11 HA ILE 11 14.130 -3.821 -3.321
61 HB ILE 11 HB ILE 11 15.117 -6.492 -2.359
62 HG12 ILE 11 HG12 ILE 11 14.193 -6.706 -4.729
63 HG13 ILE 11 HG13 ILE 11 13.368 -7.660 -3.498
64 HG21 ILE 11 HG21 ILE 11 12.485 -6.245 -1.670
65 HG22 ILE 11 HG22 ILE 11 12.985 -4.556 -1.682
66 HG23 ILE 11 HG23 ILE 11 13.825 -5.717 -0.656
67 HD11 ILE 11 HD11 ILE 11 11.487 -6.291 -3.496
68 HD12 ILE 11 HD12 ILE 11 11.965 -6.201 -5.190
69 HD13 ILE 11 HD13 ILE 11 12.379 -4.890 -4.086
70 H THR 12 H THR 12 15.091 -4.621 -0.772
71 HA THR 12 HA THR 12 16.579 -3.772 0.783
72 HB THR 12 HB THR 12 18.860 -4.578 0.494
73 HG1 THR 12 HG1 THR 12 18.010 -4.816 -2.182
74 HG21 THR 12 HG21 THR 12 17.897 -6.943 -0.658
75 HG22 THR 12 HG22 THR 12 16.488 -6.205 0.101
76 HG23 THR 12 HG23 THR 12 17.928 -6.548 1.059
77 H THR 13 H THR 13 15.821 -2.049 -1.595
78 HA THR 13 HA THR 13 18.023 -0.431 -2.314
79 HB THR 13 HB THR 13 15.430 0.941 -2.126
80 HG1 THR 13 HG1 THR 13 14.275 -0.605 -2.908
81 HG21 THR 13 HG21 THR 13 17.448 1.595 -3.508
82 HG22 THR 13 HG22 THR 13 15.937 1.491 -4.410
83 HG23 THR 13 HG23 THR 13 17.121 0.189 -4.520
84 H LYS 14 H LYS 14 15.621 -0.164 0.287
85 HA LYS 14 HA LYS 14 16.643 2.295 1.315
86 HB2 LYS 14 HB2 LYS 14 15.378 1.048 3.438
87 HB3 LYS 14 HB3 LYS 14 14.602 2.106 2.259
88 HG2 LYS 14 HG2 LYS 14 13.940 0.248 0.897
89 HG3 LYS 14 HG3 LYS 14 14.943 -0.868 1.822
90 HD2 LYS 14 HD2 LYS 14 13.546 -0.468 3.820
91 HD3 LYS 14 HD3 LYS 14 12.534 0.634 2.887
92 HE2 LYS 14 HE2 LYS 14 11.286 -1.242 2.517
93 HE3 LYS 14 HE3 LYS 14 12.494 -1.552 1.269
94 HZ1 LYS 14 HZ1 LYS 14 13.520 -2.441 3.709
95 HZ2 LYS 14 HZ2 LYS 14 13.087 -3.369 2.354
96 HZ3 LYS 14 HZ3 LYS 14 11.944 -3.055 3.571
97 H ASP 15 H ASP 15 17.230 -1.109 1.992
98 HA ASP 15 HA ASP 15 18.822 -0.768 4.312
99 HB2 ASP 15 HB2 ASP 15 18.282 -2.905 2.359
100 HB3 ASP 15 HB3 ASP 15 19.865 -2.990 3.131
101 H LEU 16 H LEU 16 19.424 -0.595 0.890
102 HA LEU 16 HA LEU 16 22.203 -0.698 0.785
103 HB2 LEU 16 HB2 LEU 16 20.120 -0.102 -0.983
104 HB3 LEU 16 HB3 LEU 16 21.121 1.352 -0.968
105 HG LEU 16 HG LEU 16 23.123 -0.296 -1.193
106 HD11 LEU 16 HD11 LEU 16 21.333 -2.225 -0.823
107 HD12 LEU 16 HD12 LEU 16 22.717 -2.467 -1.890
108 HD13 LEU 16 HD13 LEU 16 21.138 -2.065 -2.568
109 HD21 LEU 16 HD21 LEU 16 22.088 -0.579 -3.778
110 HD22 LEU 16 HD22 LEU 16 23.048 0.775 -3.181
111 HD23 LEU 16 HD23 LEU 16 21.287 0.859 -3.140
112 H LYS 17 H LYS 17 20.057 1.786 1.916
113 HA LYS 17 HA LYS 17 21.566 4.089 1.793
114 HB2 LYS 17 HB2 LYS 17 19.724 3.063 3.950
115 HB3 LYS 17 HB3 LYS 17 20.475 4.654 4.047
116 HG2 LYS 17 HG2 LYS 17 18.958 3.783 1.587
117 HG3 LYS 17 HG3 LYS 17 18.132 4.514 2.964
118 HD2 LYS 17 HD2 LYS 17 20.010 6.348 2.747
119 HD3 LYS 17 HD3 LYS 17 20.144 5.735 1.099
120 HE2 LYS 17 HE2 LYS 17 18.543 7.621 1.238
121 HE3 LYS 17 HE3 LYS 17 17.745 6.129 0.740
122 HZ1 LYS 17 HZ1 LYS 17 16.442 6.234 2.509
123 HZ2 LYS 17 HZ2 LYS 17 17.125 7.737 2.912
124 HZ3 LYS 17 HZ3 LYS 17 17.777 6.305 3.554
125 H GLU 18 H GLU 18 21.979 1.328 3.910
126 HA GLU 18 HA GLU 18 23.805 2.504 5.732
127 HB2 GLU 18 HB2 GLU 18 23.268 -0.347 4.904
128 HB3 GLU 18 HB3 GLU 18 24.490 0.067 6.106
129 HG2 GLU 18 HG2 GLU 18 22.553 -0.347 7.394
130 HG3 GLU 18 HG3 GLU 18 22.607 1.411 7.267
131 H LYS 19 H LYS 19 24.206 0.803 2.665
132 HA LYS 19 HA LYS 19 27.035 0.644 2.705
133 HB2 LYS 19 HB2 LYS 19 24.894 0.341 0.677
134 HB3 LYS 19 HB3 LYS 19 26.499 0.733 0.061
135 HG2 LYS 19 HG2 LYS 19 27.458 -1.171 1.263
136 HG3 LYS 19 HG3 LYS 19 25.883 -1.549 1.961
137 HD2 LYS 19 HD2 LYS 19 24.985 -1.845 -0.359
138 HD3 LYS 19 HD3 LYS 19 26.619 -1.615 -0.980
139 HE2 LYS 19 HE2 LYS 19 26.704 -3.892 -0.793
140 HE3 LYS 19 HE3 LYS 19 27.100 -3.520 0.884
141 HZ1 LYS 19 HZ1 LYS 19 24.539 -3.492 1.154
142 HZ2 LYS 19 HZ2 LYS 19 25.361 -4.978 1.114
143 HZ3 LYS 19 HZ3 LYS 19 24.548 -4.418 -0.267
144 H LYS 20 H LYS 20 24.804 3.025 1.281
145 HA LYS 20 HA LYS 20 26.815 4.699 0.188
146 HB2 LYS 20 HB2 LYS 20 23.909 4.897 0.731
147 HB3 LYS 20 HB3 LYS 20 24.779 6.428 0.637
148 HG2 LYS 20 HG2 LYS 20 25.534 5.990 -1.570
149 HG3 LYS 20 HG3 LYS 20 25.123 4.278 -1.455
150 HD2 LYS 20 HD2 LYS 20 22.753 5.794 -0.923
151 HD3 LYS 20 HD3 LYS 20 23.486 6.420 -2.401
152 HE2 LYS 20 HE2 LYS 20 21.890 4.512 -2.786
153 HE3 LYS 20 HE3 LYS 20 23.517 4.217 -3.398
154 HZ1 LYS 20 HZ1 LYS 20 24.027 2.946 -1.443
155 HZ2 LYS 20 HZ2 LYS 20 22.606 2.329 -2.141
156 HZ3 LYS 20 HZ3 LYS 20 22.520 3.307 -0.754
157 H GLU 21 H GLU 21 25.179 4.605 3.312
158 HA GLU 21 HA GLU 21 26.129 7.003 4.394
159 HB2 GLU 21 HB2 GLU 21 24.450 5.243 5.351
160 HB3 GLU 21 HB3 GLU 21 25.892 4.519 6.066
161 HG2 GLU 21 HG2 GLU 21 25.477 5.995 7.756
162 HG3 GLU 21 HG3 GLU 21 26.301 7.132 6.689
163 H VAL 22 H VAL 22 27.661 3.874 3.973
164 HA VAL 22 HA VAL 22 29.868 4.201 5.672
165 HB VAL 22 HB VAL 22 29.030 2.187 4.119
166 HG11 VAL 22 HG11 VAL 22 30.213 1.919 2.127
167 HG12 VAL 22 HG12 VAL 22 31.490 3.032 2.618
168 HG13 VAL 22 HG13 VAL 22 29.918 3.658 2.122
169 HG21 VAL 22 HG21 VAL 22 30.723 2.158 5.979
170 HG22 VAL 22 HG22 VAL 22 31.953 2.623 4.804
171 HG23 VAL 22 HG23 VAL 22 31.123 1.076 4.646
172 H VAL 23 H VAL 23 29.046 5.745 2.709
173 HA VAL 23 HA VAL 23 31.383 6.413 1.477
174 HB VAL 23 HB VAL 23 29.169 7.250 0.772
175 HG11 VAL 23 HG11 VAL 23 27.861 8.526 2.102
176 HG12 VAL 23 HG12 VAL 23 29.197 9.600 2.515
177 HG13 VAL 23 HG13 VAL 23 28.966 8.098 3.409
178 HG21 VAL 23 HG21 VAL 23 30.615 9.796 1.169
179 HG22 VAL 23 HG22 VAL 23 30.120 9.007 -0.327
180 HG23 VAL 23 HG23 VAL 23 31.594 8.495 0.493
181 H GLU 24 H GLU 24 30.427 7.236 4.685
182 HA GLU 24 HA GLU 24 31.881 9.527 5.226
183 HB2 GLU 24 HB2 GLU 24 31.152 7.115 6.839
184 HB3 GLU 24 HB3 GLU 24 32.294 8.270 7.521
185 HG2 GLU 24 HG2 GLU 24 30.323 9.209 8.270
186 HG3 GLU 24 HG3 GLU 24 30.441 10.024 6.714
187 H GLU 25 H GLU 25 32.999 6.210 4.853
188 HA GLU 25 HA GLU 25 35.605 6.435 5.808
189 HB2 GLU 25 HB2 GLU 25 34.424 4.820 3.550
190 HB3 GLU 25 HB3 GLU 25 36.131 4.708 3.977
191 HG2 GLU 25 HG2 GLU 25 34.092 4.469 6.157
192 HG3 GLU 25 HG3 GLU 25 34.356 3.089 5.092
193 H ALA 26 H ALA 26 34.097 7.960 3.164
194 HA ALA 26 HA ALA 26 36.271 8.363 1.413
195 HB1 ALA 26 HB1 ALA 26 34.956 10.328 0.616
196 HB2 ALA 26 HB2 ALA 26 33.844 10.084 1.962
197 HB3 ALA 26 HB3 ALA 26 34.000 8.849 0.714
198 H GLU 27 H GLU 27 35.538 9.686 4.505
199 HA GLU 27 HA GLU 27 36.891 12.159 4.351
200 HB2 GLU 27 HB2 GLU 27 36.901 12.116 6.763
201 HB3 GLU 27 HB3 GLU 27 35.372 11.430 6.214
202 HG2 GLU 27 HG2 GLU 27 36.542 9.144 6.356
203 HG3 GLU 27 HG3 GLU 27 37.795 9.975 7.276
204 H ASN 28 H ASN 28 38.039 8.949 4.299
205 HA ASN 28 HA ASN 28 40.703 9.656 5.284
206 HB2 ASN 28 HB2 ASN 28 40.143 7.537 6.054
207 HB3 ASN 28 HB3 ASN 28 39.311 7.103 4.563
208 HD21 ASN 28 HD21 ASN 28 42.606 8.493 4.911
209 HD22 ASN 28 HD22 ASN 28 43.399 7.173 4.197
Start of MODEL 7
1 H1 ACE 0 H1 ACE 0 0.727 10.720 -4.883
2 H2 ACE 0 H2 ACE 0 1.405 9.158 -5.345
3 H3 ACE 0 H3 ACE 0 1.720 10.584 -6.335
4 H SER 1 H SER 1 4.001 10.098 -6.068
5 HA SER 1 HA SER 1 6.056 10.202 -5.016
6 HB2 SER 1 HB2 SER 1 5.984 12.501 -5.209
7 HB3 SER 1 HB3 SER 1 4.527 12.644 -4.228
8 HG SER 1 HG SER 1 7.033 12.939 -3.470
9 H ASP 2 H ASP 2 4.801 11.784 -2.234
10 HA ASP 2 HA ASP 2 5.940 10.149 -0.345
11 HB2 ASP 2 HB2 ASP 2 3.455 11.073 0.714
12 HB3 ASP 2 HB3 ASP 2 5.070 11.722 0.986
13 H ALA 3 H ALA 3 2.910 9.710 -2.055
14 HA ALA 3 HA ALA 3 1.731 7.746 -0.438
15 HB1 ALA 3 HB1 ALA 3 1.501 7.498 -3.402
16 HB2 ALA 3 HB2 ALA 3 0.922 8.986 -2.654
17 HB3 ALA 3 HB3 ALA 3 0.245 7.433 -2.166
18 H ALA 4 H ALA 4 4.445 7.620 -2.572
19 HA ALA 4 HA ALA 4 4.544 4.884 -3.183
20 HB1 ALA 4 HB1 ALA 4 6.044 6.339 -4.327
21 HB2 ALA 4 HB2 ALA 4 7.055 5.298 -3.324
22 HB3 ALA 4 HB3 ALA 4 6.714 6.951 -2.814
23 H VAL 5 H VAL 5 4.819 6.452 -0.190
24 HA VAL 5 HA VAL 5 6.666 5.169 1.319
25 HB VAL 5 HB VAL 5 4.762 6.800 2.028
26 HG11 VAL 5 HG11 VAL 5 3.482 4.194 2.871
27 HG12 VAL 5 HG12 VAL 5 3.010 5.028 1.390
28 HG13 VAL 5 HG13 VAL 5 2.802 5.819 2.953
29 HG21 VAL 5 HG21 VAL 5 5.645 4.520 3.826
30 HG22 VAL 5 HG22 VAL 5 5.017 6.073 4.377
31 HG23 VAL 5 HG23 VAL 5 6.556 5.999 3.520
32 H ASP 6 H ASP 6 3.603 3.871 0.158
33 HA ASP 6 HA ASP 6 3.693 1.412 1.549
34 HB2 ASP 6 HB2 ASP 6 1.816 2.500 0.021
35 HB3 ASP 6 HB3 ASP 6 2.592 1.529 -1.231
36 H THR 7 H THR 7 5.049 2.527 -1.491
37 HA THR 7 HA THR 7 6.103 0.067 -2.398
38 HB THR 7 HB THR 7 7.237 2.832 -2.875
39 HG1 THR 7 HG1 THR 7 5.605 1.724 -4.764
40 HG21 THR 7 HG21 THR 7 7.485 0.146 -4.210
41 HG22 THR 7 HG22 THR 7 8.762 1.269 -3.741
42 HG23 THR 7 HG23 THR 7 7.735 1.631 -5.128
43 H SER 8 H SER 8 7.328 2.582 -0.238
44 HA SER 8 HA SER 8 9.983 1.855 0.017
45 HB2 SER 8 HB2 SER 8 8.154 3.455 1.468
46 HB3 SER 8 HB3 SER 8 8.926 2.389 2.639
47 HG SER 8 HG SER 8 10.945 3.038 1.508
48 H SER 9 H SER 9 7.237 -0.011 0.800
49 HA SER 9 HA SER 9 8.059 -1.576 2.940
50 HB2 SER 9 HB2 SER 9 6.430 -2.243 0.492
51 HB3 SER 9 HB3 SER 9 6.719 -3.421 1.767
52 HG SER 9 HG SER 9 5.996 -1.432 3.117
53 H GLU 10 H GLU 10 9.409 -1.333 -0.195
54 HA GLU 10 HA GLU 10 10.556 -3.919 -0.445
55 HB2 GLU 10 HB2 GLU 10 11.162 -1.222 -1.636
56 HB3 GLU 10 HB3 GLU 10 12.218 -2.601 -1.945
57 HG2 GLU 10 HG2 GLU 10 9.460 -3.392 -2.272
58 HG3 GLU 10 HG3 GLU 10 9.793 -1.970 -3.257
59 H ILE 11 H ILE 11 11.365 -1.110 1.398
60 HA ILE 11 HA ILE 11 13.123 -0.568 2.765
61 HB ILE 11 HB ILE 11 12.057 -2.473 3.973
62 HG12 ILE 11 HG12 ILE 11 15.071 -2.432 4.287
63 HG13 ILE 11 HG13 ILE 11 14.024 -1.127 4.846
64 HG21 ILE 11 HG21 ILE 11 12.408 -4.365 2.608
65 HG22 ILE 11 HG22 ILE 11 13.522 -4.608 3.950
66 HG23 ILE 11 HG23 ILE 11 14.124 -4.018 2.405
67 HD11 ILE 11 HD11 ILE 11 12.735 -2.869 6.165
68 HD12 ILE 11 HD12 ILE 11 14.385 -2.584 6.723
69 HD13 ILE 11 HD13 ILE 11 14.015 -4.014 5.759
70 H THR 12 H THR 12 13.706 -2.250 -0.040
71 HA THR 12 HA THR 12 16.427 -2.988 0.263
72 HB THR 12 HB THR 12 15.569 -2.082 -2.412
73 HG1 THR 12 HG1 THR 12 13.767 -3.125 -2.428
74 HG21 THR 12 HG21 THR 12 17.558 -3.613 -1.542
75 HG22 THR 12 HG22 THR 12 16.778 -3.929 -3.092
76 HG23 THR 12 HG23 THR 12 16.332 -4.875 -1.672
77 H THR 13 H THR 13 14.805 0.016 -0.531
78 HA THR 13 HA THR 13 17.100 1.417 -1.450
79 HB THR 13 HB THR 13 15.664 3.144 -1.725
80 HG1 THR 13 HG1 THR 13 14.444 2.644 0.774
81 HG21 THR 13 HG21 THR 13 13.401 2.478 -1.966
82 HG22 THR 13 HG22 THR 13 13.522 1.309 -0.650
83 HG23 THR 13 HG23 THR 13 14.329 0.996 -2.186
84 H LYS 14 H LYS 14 15.762 0.728 1.710
85 HA LYS 14 HA LYS 14 17.392 2.620 3.119
86 HB2 LYS 14 HB2 LYS 14 15.187 1.179 3.807
87 HB3 LYS 14 HB3 LYS 14 16.455 0.224 4.578
88 HG2 LYS 14 HG2 LYS 14 17.333 2.552 5.405
89 HG3 LYS 14 HG3 LYS 14 15.689 3.089 5.063
90 HD2 LYS 14 HD2 LYS 14 15.531 2.413 7.300
91 HD3 LYS 14 HD3 LYS 14 14.982 0.977 6.435
92 HE2 LYS 14 HE2 LYS 14 17.028 -0.150 6.761
93 HE3 LYS 14 HE3 LYS 14 17.892 1.339 7.140
94 HZ1 LYS 14 HZ1 LYS 14 16.050 -0.217 8.823
95 HZ2 LYS 14 HZ2 LYS 14 16.219 1.452 9.092
96 HZ3 LYS 14 HZ3 LYS 14 17.570 0.428 9.207
97 H ASP 15 H ASP 15 17.594 -0.822 2.354
98 HA ASP 15 HA ASP 15 19.912 -1.459 3.816
99 HB2 ASP 15 HB2 ASP 15 18.430 -2.584 1.537
100 HB3 ASP 15 HB3 ASP 15 20.153 -2.949 1.521
101 H LEU 16 H LEU 16 19.368 0.031 0.698
102 HA LEU 16 HA LEU 16 21.965 0.109 -0.326
103 HB2 LEU 16 HB2 LEU 16 19.771 0.847 -1.434
104 HB3 LEU 16 HB3 LEU 16 19.976 2.371 -0.570
105 HG LEU 16 HG LEU 16 22.421 1.506 -1.942
106 HD11 LEU 16 HD11 LEU 16 21.362 2.341 -4.183
107 HD12 LEU 16 HD12 LEU 16 19.839 1.836 -3.451
108 HD13 LEU 16 HD13 LEU 16 21.127 0.661 -3.705
109 HD21 LEU 16 HD21 LEU 16 20.699 4.001 -1.919
110 HD22 LEU 16 HD22 LEU 16 22.239 3.881 -2.770
111 HD23 LEU 16 HD23 LEU 16 22.188 3.731 -1.014
112 H LYS 17 H LYS 17 20.396 1.946 2.182
113 HA LYS 17 HA LYS 17 22.099 4.152 2.388
114 HB2 LYS 17 HB2 LYS 17 19.937 3.736 3.657
115 HB3 LYS 17 HB3 LYS 17 20.879 2.717 4.747
116 HG2 LYS 17 HG2 LYS 17 22.318 5.154 4.393
117 HG3 LYS 17 HG3 LYS 17 20.642 5.571 4.753
118 HD2 LYS 17 HD2 LYS 17 22.244 3.567 6.362
119 HD3 LYS 17 HD3 LYS 17 22.105 5.272 6.794
120 HE2 LYS 17 HE2 LYS 17 19.518 4.016 6.210
121 HE3 LYS 17 HE3 LYS 17 20.353 3.282 7.580
122 HZ1 LYS 17 HZ1 LYS 17 20.364 6.188 7.466
123 HZ2 LYS 17 HZ2 LYS 17 20.194 5.152 8.801
124 HZ3 LYS 17 HZ3 LYS 17 18.865 5.463 7.790
125 H GLU 18 H GLU 18 22.401 0.891 3.693
126 HA GLU 18 HA GLU 18 24.645 1.257 5.326
127 HB2 GLU 18 HB2 GLU 18 23.078 -0.867 4.713
128 HB3 GLU 18 HB3 GLU 18 24.523 -1.266 3.784
129 HG2 GLU 18 HG2 GLU 18 24.701 -2.211 6.034
130 HG3 GLU 18 HG3 GLU 18 25.901 -0.938 5.824
131 H LYS 19 H LYS 19 24.377 0.620 1.866
132 HA LYS 19 HA LYS 19 27.201 0.394 1.417
133 HB2 LYS 19 HB2 LYS 19 26.016 -0.655 -0.269
134 HB3 LYS 19 HB3 LYS 19 24.750 0.570 -0.287
135 HG2 LYS 19 HG2 LYS 19 26.032 2.064 -1.565
136 HG3 LYS 19 HG3 LYS 19 27.551 1.275 -1.136
137 HD2 LYS 19 HD2 LYS 19 27.135 -0.564 -2.570
138 HD3 LYS 19 HD3 LYS 19 25.423 -0.167 -2.718
139 HE2 LYS 19 HE2 LYS 19 25.793 1.414 -4.324
140 HE3 LYS 19 HE3 LYS 19 27.298 1.957 -3.582
141 HZ1 LYS 19 HZ1 LYS 19 28.272 0.857 -5.241
142 HZ2 LYS 19 HZ2 LYS 19 26.869 -0.018 -5.628
143 HZ3 LYS 19 HZ3 LYS 19 27.892 -0.554 -4.381
144 H LYS 20 H LYS 20 24.812 2.980 1.200
145 HA LYS 20 HA LYS 20 26.592 4.913 0.069
146 HB2 LYS 20 HB2 LYS 20 23.980 4.908 0.180
147 HB3 LYS 20 HB3 LYS 20 24.222 5.636 1.768
148 HG2 LYS 20 HG2 LYS 20 25.931 7.150 0.338
149 HG3 LYS 20 HG3 LYS 20 24.772 6.756 -0.932
150 HD2 LYS 20 HD2 LYS 20 22.932 7.503 0.606
151 HD3 LYS 20 HD3 LYS 20 24.168 8.051 1.739
152 HE2 LYS 20 HE2 LYS 20 23.203 9.786 0.071
153 HE3 LYS 20 HE3 LYS 20 24.954 9.714 0.267
154 HZ1 LYS 20 HZ1 LYS 20 24.099 9.746 -2.085
155 HZ2 LYS 20 HZ2 LYS 20 23.523 8.171 -1.815
156 HZ3 LYS 20 HZ3 LYS 20 25.186 8.499 -1.711
157 H GLU 21 H GLU 21 25.827 3.781 3.262
158 HA GLU 21 HA GLU 21 26.828 5.904 4.805
159 HB2 GLU 21 HB2 GLU 21 25.453 4.021 5.676
160 HB3 GLU 21 HB3 GLU 21 26.844 2.955 5.482
161 HG2 GLU 21 HG2 GLU 21 27.972 5.009 6.875
162 HG3 GLU 21 HG3 GLU 21 26.332 5.033 7.521
163 H VAL 22 H VAL 22 28.448 3.041 3.446
164 HA VAL 22 HA VAL 22 30.925 3.373 4.724
165 HB VAL 22 HB VAL 22 31.835 1.920 3.041
166 HG11 VAL 22 HG11 VAL 22 28.921 1.155 3.335
167 HG12 VAL 22 HG12 VAL 22 30.073 1.051 4.668
168 HG13 VAL 22 HG13 VAL 22 30.314 0.078 3.216
169 HG21 VAL 22 HG21 VAL 22 29.937 3.294 1.356
170 HG22 VAL 22 HG22 VAL 22 29.686 1.555 1.226
171 HG23 VAL 22 HG23 VAL 22 31.271 2.245 0.882
172 H VAL 23 H VAL 23 29.532 5.057 1.994
173 HA VAL 23 HA VAL 23 31.862 6.091 0.821
174 HB VAL 23 HB VAL 23 29.116 7.345 1.043
175 HG11 VAL 23 HG11 VAL 23 30.489 8.082 -1.334
176 HG12 VAL 23 HG12 VAL 23 31.599 8.363 0.006
177 HG13 VAL 23 HG13 VAL 23 30.012 9.129 0.001
178 HG21 VAL 23 HG21 VAL 23 28.712 5.419 -0.166
179 HG22 VAL 23 HG22 VAL 23 30.381 5.293 -0.718
180 HG23 VAL 23 HG23 VAL 23 29.287 6.449 -1.478
181 H GLU 24 H GLU 24 30.006 7.200 3.604
182 HA GLU 24 HA GLU 24 31.189 9.711 3.948
183 HB2 GLU 24 HB2 GLU 24 29.492 7.974 5.446
184 HB3 GLU 24 HB3 GLU 24 30.775 8.544 6.513
185 HG2 GLU 24 HG2 GLU 24 30.273 10.851 5.998
186 HG3 GLU 24 HG3 GLU 24 29.136 10.372 4.738
187 H GLU 25 H GLU 25 32.276 6.498 4.885
188 HA GLU 25 HA GLU 25 34.440 7.214 6.521
189 HB2 GLU 25 HB2 GLU 25 34.417 4.876 4.603
190 HB3 GLU 25 HB3 GLU 25 35.267 5.002 6.144
191 HG2 GLU 25 HG2 GLU 25 33.170 5.023 7.362
192 HG3 GLU 25 HG3 GLU 25 32.251 5.084 5.859
193 H ALA 26 H ALA 26 33.891 7.736 3.220
194 HA ALA 26 HA ALA 26 36.455 7.562 2.106
195 HB1 ALA 26 HB1 ALA 26 34.351 7.925 0.820
196 HB2 ALA 26 HB2 ALA 26 35.639 9.045 0.374
197 HB3 ALA 26 HB3 ALA 26 34.321 9.586 1.414
198 H GLU 27 H GLU 27 34.876 10.252 3.764
199 HA GLU 27 HA GLU 27 37.016 12.095 3.411
200 HB2 GLU 27 HB2 GLU 27 34.859 12.077 5.533
201 HB3 GLU 27 HB3 GLU 27 35.862 13.453 5.078
202 HG2 GLU 27 HG2 GLU 27 34.428 13.964 3.426
203 HG3 GLU 27 HG3 GLU 27 34.702 12.384 2.695
204 H ASN 28 H ASN 28 37.157 9.268 4.956
205 HA ASN 28 HA ASN 28 38.952 10.312 7.066
206 HB2 ASN 28 HB2 ASN 28 37.545 7.646 7.171
207 HB3 ASN 28 HB3 ASN 28 38.353 8.504 8.482
208 HD21 ASN 28 HD21 ASN 28 37.258 10.438 9.367
209 HD22 ASN 28 HD22 ASN 28 35.593 10.664 9.127
Start of MODEL 8
1 H1 ACE 0 H1 ACE 0 0.093 -10.633 -5.363
2 H2 ACE 0 H2 ACE 0 1.625 -10.740 -6.231
3 H3 ACE 0 H3 ACE 0 0.211 -10.044 -7.021
4 H SER 1 H SER 1 2.103 -8.369 -7.267
5 HA SER 1 HA SER 1 3.170 -6.424 -6.570
6 HB2 SER 1 HB2 SER 1 0.533 -6.062 -7.080
7 HB3 SER 1 HB3 SER 1 0.627 -5.434 -5.439
8 HG SER 1 HG SER 1 2.360 -4.111 -6.149
9 H ASP 2 H ASP 2 0.699 -6.372 -4.053
10 HA ASP 2 HA ASP 2 2.362 -5.504 -2.007
11 HB2 ASP 2 HB2 ASP 2 0.022 -7.355 -1.552
12 HB3 ASP 2 HB3 ASP 2 0.619 -6.073 -0.499
13 H ALA 3 H ALA 3 1.668 -8.765 -3.137
14 HA ALA 3 HA ALA 3 2.753 -10.310 -1.115
15 HB1 ALA 3 HB1 ALA 3 3.325 -10.947 -3.997
16 HB2 ALA 3 HB2 ALA 3 1.671 -10.999 -3.385
17 HB3 ALA 3 HB3 ALA 3 2.907 -12.042 -2.680
18 H ALA 4 H ALA 4 4.343 -8.262 -3.442
19 HA ALA 4 HA ALA 4 6.917 -9.201 -3.541
20 HB1 ALA 4 HB1 ALA 4 6.359 -7.224 -4.764
21 HB2 ALA 4 HB2 ALA 4 7.606 -6.759 -3.606
22 HB3 ALA 4 HB3 ALA 4 5.917 -6.359 -3.292
23 H VAL 5 H VAL 5 5.212 -8.008 -0.801
24 HA VAL 5 HA VAL 5 7.176 -7.095 0.889
25 HB VAL 5 HB VAL 5 4.635 -8.623 1.355
26 HG11 VAL 5 HG11 VAL 5 5.757 -9.486 3.189
27 HG12 VAL 5 HG12 VAL 5 5.221 -7.945 3.860
28 HG13 VAL 5 HG13 VAL 5 6.876 -8.126 3.277
29 HG21 VAL 5 HG21 VAL 5 5.486 -5.945 2.460
30 HG22 VAL 5 HG22 VAL 5 3.853 -6.548 2.175
31 HG23 VAL 5 HG23 VAL 5 4.874 -6.089 0.812
32 H ASP 6 H ASP 6 6.312 -10.398 0.020
33 HA ASP 6 HA ASP 6 7.928 -11.748 1.886
34 HB2 ASP 6 HB2 ASP 6 6.354 -12.434 -0.397
35 HB3 ASP 6 HB3 ASP 6 7.941 -13.179 -0.585
36 H THR 7 H THR 7 8.596 -10.362 -1.284
37 HA THR 7 HA THR 7 11.233 -11.330 -1.577
38 HB THR 7 HB THR 7 10.004 -8.758 -2.610
39 HG1 THR 7 HG1 THR 7 8.978 -10.374 -3.594
40 HG21 THR 7 HG21 THR 7 12.344 -8.444 -2.719
41 HG22 THR 7 HG22 THR 7 11.910 -9.053 -4.316
42 HG23 THR 7 HG23 THR 7 12.635 -10.134 -3.126
43 H SER 8 H SER 8 9.817 -8.611 0.153
44 HA SER 8 HA SER 8 11.973 -7.026 0.741
45 HB2 SER 8 HB2 SER 8 10.169 -7.927 2.970
46 HB3 SER 8 HB3 SER 8 10.849 -6.330 2.675
47 HG SER 8 HG SER 8 9.205 -5.906 1.446
48 H SER 9 H SER 9 11.356 -10.284 1.829
49 HA SER 9 HA SER 9 13.103 -10.509 3.982
50 HB2 SER 9 HB2 SER 9 12.886 -12.794 3.738
51 HB3 SER 9 HB3 SER 9 11.500 -12.255 2.797
52 HG SER 9 HG SER 9 14.087 -12.749 1.733
53 H GLU 10 H GLU 10 13.767 -10.873 0.506
54 HA GLU 10 HA GLU 10 16.519 -11.470 0.744
55 HB2 GLU 10 HB2 GLU 10 15.165 -9.995 -1.526
56 HB3 GLU 10 HB3 GLU 10 16.667 -10.918 -1.603
57 HG2 GLU 10 HG2 GLU 10 14.495 -12.509 -0.495
58 HG3 GLU 10 HG3 GLU 10 14.095 -11.898 -2.100
59 H ILE 11 H ILE 11 14.794 -8.682 1.457
60 HA ILE 11 HA ILE 11 15.336 -6.446 1.685
61 HB ILE 11 HB ILE 11 17.387 -6.163 3.121
62 HG12 ILE 11 HG12 ILE 11 17.501 -9.187 2.902
63 HG13 ILE 11 HG13 ILE 11 18.633 -8.094 2.103
64 HG21 ILE 11 HG21 ILE 11 16.358 -7.172 5.024
65 HG22 ILE 11 HG22 ILE 11 15.614 -8.434 4.042
66 HG23 ILE 11 HG23 ILE 11 15.036 -6.772 3.927
67 HD11 ILE 11 HD11 ILE 11 18.138 -8.083 5.092
68 HD12 ILE 11 HD12 ILE 11 19.418 -7.243 4.215
69 HD13 ILE 11 HD13 ILE 11 19.435 -9.003 4.328
70 H THR 12 H THR 12 17.529 -4.981 1.708
71 HA THR 12 HA THR 12 19.616 -4.653 0.414
72 HB THR 12 HB THR 12 17.842 -5.545 -1.875
73 HG1 THR 12 HG1 THR 12 18.798 -7.388 -1.606
74 HG21 THR 12 HG21 THR 12 19.199 -3.868 -2.786
75 HG22 THR 12 HG22 THR 12 20.153 -5.326 -3.061
76 HG23 THR 12 HG23 THR 12 20.552 -4.251 -1.722
77 H THR 13 H THR 13 16.488 -3.617 0.699
78 HA THR 13 HA THR 13 16.642 -1.297 -1.021
79 HB THR 13 HB THR 13 14.651 -1.022 1.029
80 HG1 THR 13 HG1 THR 13 14.289 -3.399 -0.387
81 HG21 THR 13 HG21 THR 13 14.511 -0.109 -1.248
82 HG22 THR 13 HG22 THR 13 13.140 -1.170 -0.922
83 HG23 THR 13 HG23 THR 13 14.483 -1.744 -1.910
84 H LYS 14 H LYS 14 16.723 -1.910 2.478
85 HA LYS 14 HA LYS 14 17.320 0.817 3.146
86 HB2 LYS 14 HB2 LYS 14 16.548 -1.511 4.534
87 HB3 LYS 14 HB3 LYS 14 18.134 -1.078 5.173
88 HG2 LYS 14 HG2 LYS 14 17.403 1.108 5.784
89 HG3 LYS 14 HG3 LYS 14 15.918 0.952 4.844
90 HD2 LYS 14 HD2 LYS 14 16.473 -1.008 7.050
91 HD3 LYS 14 HD3 LYS 14 15.850 0.593 7.451
92 HE2 LYS 14 HE2 LYS 14 14.577 -1.442 5.602
93 HE3 LYS 14 HE3 LYS 14 13.961 -0.896 7.162
94 HZ1 LYS 14 HZ1 LYS 14 12.805 0.278 5.475
95 HZ2 LYS 14 HZ2 LYS 14 14.245 0.703 4.680
96 HZ3 LYS 14 HZ3 LYS 14 13.877 1.377 6.195
97 H ASP 15 H ASP 15 19.160 -2.098 2.530
98 HA ASP 15 HA ASP 15 21.651 -1.348 3.559
99 HB2 ASP 15 HB2 ASP 15 20.944 -3.016 1.147
100 HB3 ASP 15 HB3 ASP 15 22.568 -2.892 1.821
101 H LEU 16 H LEU 16 20.066 -0.589 0.516
102 HA LEU 16 HA LEU 16 22.176 0.517 -0.915
103 HB2 LEU 16 HB2 LEU 16 19.495 0.239 -1.330
104 HB3 LEU 16 HB3 LEU 16 19.608 1.977 -1.060
105 HG LEU 16 HG LEU 16 21.668 1.772 -2.717
106 HD11 LEU 16 HD11 LEU 16 21.026 -0.840 -2.687
107 HD12 LEU 16 HD12 LEU 16 21.710 -0.058 -4.112
108 HD13 LEU 16 HD13 LEU 16 19.969 -0.317 -3.998
109 HD21 LEU 16 HD21 LEU 16 18.720 1.928 -3.266
110 HD22 LEU 16 HD22 LEU 16 19.841 1.917 -4.627
111 HD23 LEU 16 HD23 LEU 16 19.949 3.186 -3.408
112 H LYS 17 H LYS 17 20.325 1.745 1.766
113 HA LYS 17 HA LYS 17 21.195 4.469 1.563
114 HB2 LYS 17 HB2 LYS 17 20.102 2.924 3.926
115 HB3 LYS 17 HB3 LYS 17 20.358 4.668 3.892
116 HG2 LYS 17 HG2 LYS 17 18.578 3.151 1.960
117 HG3 LYS 17 HG3 LYS 17 18.002 4.046 3.367
118 HD2 LYS 17 HD2 LYS 17 19.622 5.894 2.110
119 HD3 LYS 17 HD3 LYS 17 18.880 5.048 0.751
120 HE2 LYS 17 HE2 LYS 17 17.437 6.373 3.065
121 HE3 LYS 17 HE3 LYS 17 17.448 6.910 1.385
122 HZ1 LYS 17 HZ1 LYS 17 16.639 4.352 1.169
123 HZ2 LYS 17 HZ2 LYS 17 15.598 5.695 1.222
124 HZ3 LYS 17 HZ3 LYS 17 15.920 4.809 2.635
125 H GLU 18 H GLU 18 22.431 1.581 3.110
126 HA GLU 18 HA GLU 18 24.314 2.771 4.828
127 HB2 GLU 18 HB2 GLU 18 23.536 0.218 4.380
128 HB3 GLU 18 HB3 GLU 18 25.085 0.220 3.535
129 HG2 GLU 18 HG2 GLU 18 25.579 -0.393 5.791
130 HG3 GLU 18 HG3 GLU 18 26.076 1.290 5.629
131 H LYS 19 H LYS 19 24.385 2.021 1.399
132 HA LYS 19 HA LYS 19 27.155 2.374 0.971
133 HB2 LYS 19 HB2 LYS 19 24.720 2.609 -0.785
134 HB3 LYS 19 HB3 LYS 19 26.311 3.047 -1.402
135 HG2 LYS 19 HG2 LYS 19 26.897 0.646 -0.274
136 HG3 LYS 19 HG3 LYS 19 25.215 0.372 -0.728
137 HD2 LYS 19 HD2 LYS 19 27.367 1.406 -2.598
138 HD3 LYS 19 HD3 LYS 19 26.788 -0.259 -2.548
139 HE2 LYS 19 HE2 LYS 19 24.666 0.317 -3.365
140 HE3 LYS 19 HE3 LYS 19 24.844 2.010 -2.903
141 HZ1 LYS 19 HZ1 LYS 19 26.590 2.214 -4.594
142 HZ2 LYS 19 HZ2 LYS 19 25.090 1.783 -5.267
143 HZ3 LYS 19 HZ3 LYS 19 26.306 0.613 -5.077
144 H LYS 20 H LYS 20 24.434 4.652 0.956
145 HA LYS 20 HA LYS 20 25.996 6.905 0.156
146 HB2 LYS 20 HB2 LYS 20 23.310 6.625 1.508
147 HB3 LYS 20 HB3 LYS 20 24.033 8.201 1.185
148 HG2 LYS 20 HG2 LYS 20 22.809 7.909 -0.764
149 HG3 LYS 20 HG3 LYS 20 24.343 7.188 -1.250
150 HD2 LYS 20 HD2 LYS 20 23.234 5.011 -0.173
151 HD3 LYS 20 HD3 LYS 20 21.749 5.862 -0.596
152 HE2 LYS 20 HE2 LYS 20 24.027 5.255 -2.502
153 HE3 LYS 20 HE3 LYS 20 22.488 4.396 -2.442
154 HZ1 LYS 20 HZ1 LYS 20 22.751 7.312 -2.924
155 HZ2 LYS 20 HZ2 LYS 20 21.334 6.382 -3.030
156 HZ3 LYS 20 HZ3 LYS 20 22.587 6.157 -4.154
157 H GLU 21 H GLU 21 24.782 5.812 3.323
158 HA GLU 21 HA GLU 21 26.079 7.827 4.834
159 HB2 GLU 21 HB2 GLU 21 24.674 5.289 5.370
160 HB3 GLU 21 HB3 GLU 21 25.899 5.718 6.566
161 HG2 GLU 21 HG2 GLU 21 24.038 7.867 5.645
162 HG3 GLU 21 HG3 GLU 21 23.404 6.645 6.747
163 H VAL 22 H VAL 22 27.057 4.649 3.685
164 HA VAL 22 HA VAL 22 29.414 4.337 5.178
165 HB VAL 22 HB VAL 22 28.463 3.294 2.529
166 HG11 VAL 22 HG11 VAL 22 31.230 3.223 3.675
167 HG12 VAL 22 HG12 VAL 22 30.720 3.320 1.990
168 HG13 VAL 22 HG13 VAL 22 30.620 1.786 2.854
169 HG21 VAL 22 HG21 VAL 22 27.981 1.403 3.730
170 HG22 VAL 22 HG22 VAL 22 27.959 2.533 5.085
171 HG23 VAL 22 HG23 VAL 22 29.403 1.573 4.759
172 H VAL 23 H VAL 23 28.755 6.149 2.224
173 HA VAL 23 HA VAL 23 31.263 6.605 1.211
174 HB VAL 23 HB VAL 23 28.910 8.474 1.481
175 HG11 VAL 23 HG11 VAL 23 30.470 10.122 1.173
176 HG12 VAL 23 HG12 VAL 23 30.393 9.576 -0.502
177 HG13 VAL 23 HG13 VAL 23 31.682 9.000 0.555
178 HG21 VAL 23 HG21 VAL 23 30.121 7.227 -0.994
179 HG22 VAL 23 HG22 VAL 23 28.510 7.917 -0.799
180 HG23 VAL 23 HG23 VAL 23 28.913 6.386 -0.024
181 H GLU 24 H GLU 24 29.912 7.814 4.189
182 HA GLU 24 HA GLU 24 31.671 9.946 4.683
183 HB2 GLU 24 HB2 GLU 24 29.909 8.211 6.304
184 HB3 GLU 24 HB3 GLU 24 31.223 9.004 7.176
185 HG2 GLU 24 HG2 GLU 24 29.452 10.541 5.277
186 HG3 GLU 24 HG3 GLU 24 28.988 10.293 6.959
187 H GLU 25 H GLU 25 31.995 6.478 5.225
188 HA GLU 25 HA GLU 25 34.350 6.505 6.756
189 HB2 GLU 25 HB2 GLU 25 32.705 4.543 5.903
190 HB3 GLU 25 HB3 GLU 25 34.039 4.325 4.769
191 HG2 GLU 25 HG2 GLU 25 35.623 4.279 6.698
192 HG3 GLU 25 HG3 GLU 25 34.245 4.379 7.794
193 H ALA 26 H ALA 26 33.795 7.420 3.546
194 HA ALA 26 HA ALA 26 36.223 6.720 2.293
195 HB1 ALA 26 HB1 ALA 26 35.681 8.409 0.659
196 HB2 ALA 26 HB2 ALA 26 34.577 9.206 1.779
197 HB3 ALA 26 HB3 ALA 26 34.182 7.611 1.138
198 H GLU 27 H GLU 27 35.412 9.211 4.585
199 HA GLU 27 HA GLU 27 37.350 11.124 4.224
200 HB2 GLU 27 HB2 GLU 27 37.234 11.539 6.624
201 HB3 GLU 27 HB3 GLU 27 35.620 11.173 6.012
202 HG2 GLU 27 HG2 GLU 27 35.771 8.890 6.805
203 HG3 GLU 27 HG3 GLU 27 37.457 9.116 7.265
204 H ASN 28 H ASN 28 37.878 7.852 4.588
205 HA ASN 28 HA ASN 28 40.698 8.328 5.348
206 HB2 ASN 28 HB2 ASN 28 39.400 7.208 7.178
207 HB3 ASN 28 HB3 ASN 28 39.093 5.869 6.072
208 HD21 ASN 28 HD21 ASN 28 41.317 5.106 4.939
209 HD22 ASN 28 HD22 ASN 28 42.615 4.909 6.015
Start of MODEL 9
1 H1 ACE 0 H1 ACE 0 15.632 -22.427 -6.823
2 H2 ACE 0 H2 ACE 0 14.366 -21.221 -7.052
3 H3 ACE 0 H3 ACE 0 13.972 -22.791 -6.351
4 H SER 1 H SER 1 15.203 -23.314 -4.286
5 HA SER 1 HA SER 1 14.605 -21.527 -2.270
6 HB2 SER 1 HB2 SER 1 15.063 -23.612 -1.418
7 HB3 SER 1 HB3 SER 1 16.431 -23.867 -2.497
8 HG SER 1 HG SER 1 16.946 -23.455 -0.230
9 H ASP 2 H ASP 2 17.876 -22.178 -3.486
10 HA ASP 2 HA ASP 2 19.128 -20.022 -2.191
11 HB2 ASP 2 HB2 ASP 2 20.316 -20.690 -4.773
12 HB3 ASP 2 HB3 ASP 2 20.988 -20.847 -3.150
13 H ALA 3 H ALA 3 17.536 -20.257 -5.335
14 HA ALA 3 HA ALA 3 18.352 -17.862 -6.490
15 HB1 ALA 3 HB1 ALA 3 15.870 -19.524 -6.715
16 HB2 ALA 3 HB2 ALA 3 17.110 -19.196 -7.924
17 HB3 ALA 3 HB3 ALA 3 15.933 -17.951 -7.508
18 H ALA 4 H ALA 4 16.176 -18.413 -3.840
19 HA ALA 4 HA ALA 4 14.550 -16.209 -3.802
20 HB1 ALA 4 HB1 ALA 4 14.462 -17.902 -2.056
21 HB2 ALA 4 HB2 ALA 4 14.688 -16.315 -1.321
22 HB3 ALA 4 HB3 ALA 4 16.054 -17.420 -1.470
23 H VAL 5 H VAL 5 17.978 -16.279 -3.604
24 HA VAL 5 HA VAL 5 18.641 -14.005 -2.200
25 HB VAL 5 HB VAL 5 20.315 -15.520 -3.166
26 HG11 VAL 5 HG11 VAL 5 19.516 -14.260 -5.807
27 HG12 VAL 5 HG12 VAL 5 19.144 -15.914 -5.318
28 HG13 VAL 5 HG13 VAL 5 20.820 -15.423 -5.567
29 HG21 VAL 5 HG21 VAL 5 21.089 -13.073 -4.587
30 HG22 VAL 5 HG22 VAL 5 21.838 -13.839 -3.186
31 HG23 VAL 5 HG23 VAL 5 20.464 -12.756 -2.969
32 H ASP 6 H ASP 6 17.368 -14.304 -5.481
33 HA ASP 6 HA ASP 6 17.705 -11.644 -6.311
34 HB2 ASP 6 HB2 ASP 6 15.602 -12.127 -7.703
35 HB3 ASP 6 HB3 ASP 6 16.984 -13.191 -7.961
36 H THR 7 H THR 7 15.225 -13.230 -4.386
37 HA THR 7 HA THR 7 13.467 -11.028 -4.120
38 HB THR 7 HB THR 7 13.980 -13.250 -2.122
39 HG1 THR 7 HG1 THR 7 13.047 -13.346 -4.590
40 HG21 THR 7 HG21 THR 7 11.607 -11.426 -2.592
41 HG22 THR 7 HG22 THR 7 12.699 -11.374 -1.208
42 HG23 THR 7 HG23 THR 7 11.646 -12.768 -1.447
43 H SER 8 H SER 8 16.372 -12.071 -2.428
44 HA SER 8 HA SER 8 16.339 -10.444 -0.189
45 HB2 SER 8 HB2 SER 8 18.107 -12.169 -0.977
46 HB3 SER 8 HB3 SER 8 18.850 -10.802 -1.806
47 HG SER 8 HG SER 8 19.740 -10.688 0.150
48 H SER 9 H SER 9 17.156 -9.602 -3.517
49 HA SER 9 HA SER 9 18.301 -7.108 -3.182
50 HB2 SER 9 HB2 SER 9 17.209 -8.571 -5.328
51 HB3 SER 9 HB3 SER 9 16.405 -7.005 -5.353
52 HG SER 9 HG SER 9 19.207 -7.300 -5.046
53 H GLU 10 H GLU 10 15.070 -8.101 -2.512
54 HA GLU 10 HA GLU 10 13.795 -5.559 -2.690
55 HB2 GLU 10 HB2 GLU 10 12.524 -7.665 -2.692
56 HB3 GLU 10 HB3 GLU 10 13.051 -7.985 -1.039
57 HG2 GLU 10 HG2 GLU 10 11.863 -6.084 -0.197
58 HG3 GLU 10 HG3 GLU 10 11.563 -5.470 -1.821
59 H ILE 11 H ILE 11 15.489 -7.280 -0.129
60 HA ILE 11 HA ILE 11 14.863 -5.253 1.854
61 HB ILE 11 HB ILE 11 15.225 -7.786 2.270
62 HG12 ILE 11 HG12 ILE 11 16.565 -5.625 3.923
63 HG13 ILE 11 HG13 ILE 11 14.909 -6.211 4.088
64 HG21 ILE 11 HG21 ILE 11 17.669 -7.276 1.113
65 HG22 ILE 11 HG22 ILE 11 17.325 -8.650 2.159
66 HG23 ILE 11 HG23 ILE 11 18.059 -7.195 2.830
67 HD11 ILE 11 HD11 ILE 11 16.127 -7.329 5.798
68 HD12 ILE 11 HD12 ILE 11 17.475 -7.679 4.715
69 HD13 ILE 11 HD13 ILE 11 15.940 -8.523 4.514
70 H THR 12 H THR 12 16.430 -4.672 -0.669
71 HA THR 12 HA THR 12 19.023 -3.870 0.435
72 HB THR 12 HB THR 12 17.954 -3.616 -2.385
73 HG1 THR 12 HG1 THR 12 18.173 -5.746 -1.978
74 HG21 THR 12 HG21 THR 12 20.745 -3.737 -2.371
75 HG22 THR 12 HG22 THR 12 20.345 -2.662 -1.032
76 HG23 THR 12 HG23 THR 12 19.763 -2.299 -2.656
77 H THR 13 H THR 13 15.922 -2.586 -0.015
78 HA THR 13 HA THR 13 16.389 0.053 -0.774
79 HB THR 13 HB THR 13 14.331 -1.003 1.178
80 HG1 THR 13 HG1 THR 13 13.366 -1.662 -0.552
81 HG21 THR 13 HG21 THR 13 14.594 1.625 -0.300
82 HG22 THR 13 HG22 THR 13 14.484 1.381 1.443
83 HG23 THR 13 HG23 THR 13 13.083 1.069 0.420
84 H LYS 14 H LYS 14 16.363 -1.328 2.520
85 HA LYS 14 HA LYS 14 17.128 1.157 3.743
86 HB2 LYS 14 HB2 LYS 14 17.192 -1.680 4.805
87 HB3 LYS 14 HB3 LYS 14 17.458 -0.232 5.774
88 HG2 LYS 14 HG2 LYS 14 15.105 0.379 4.495
89 HG3 LYS 14 HG3 LYS 14 14.942 -1.360 4.744
90 HD2 LYS 14 HD2 LYS 14 15.837 -0.753 7.171
91 HD3 LYS 14 HD3 LYS 14 15.173 0.832 6.770
92 HE2 LYS 14 HE2 LYS 14 13.200 -0.016 7.489
93 HE3 LYS 14 HE3 LYS 14 13.165 -0.866 5.946
94 HZ1 LYS 14 HZ1 LYS 14 12.896 -2.542 7.503
95 HZ2 LYS 14 HZ2 LYS 14 14.016 -1.868 8.588
96 HZ3 LYS 14 HZ3 LYS 14 14.555 -2.616 7.161
97 H ASP 15 H ASP 15 18.810 -1.653 2.503
98 HA ASP 15 HA ASP 15 21.343 -1.104 3.671
99 HB2 ASP 15 HB2 ASP 15 20.617 -2.558 1.132
100 HB3 ASP 15 HB3 ASP 15 22.222 -2.545 1.854
101 H LEU 16 H LEU 16 19.609 0.140 0.927
102 HA LEU 16 HA LEU 16 21.660 1.207 -0.622
103 HB2 LEU 16 HB2 LEU 16 18.835 1.499 -0.430
104 HB3 LEU 16 HB3 LEU 16 19.524 3.121 -0.423
105 HG LEU 16 HG LEU 16 20.255 0.982 -2.441
106 HD11 LEU 16 HD11 LEU 16 17.960 2.780 -2.267
107 HD12 LEU 16 HD12 LEU 16 18.253 1.449 -3.385
108 HD13 LEU 16 HD13 LEU 16 18.902 3.051 -3.733
109 HD21 LEU 16 HD21 LEU 16 20.947 3.247 -3.623
110 HD22 LEU 16 HD22 LEU 16 22.026 2.500 -2.444
111 HD23 LEU 16 HD23 LEU 16 21.000 3.852 -1.967
112 H LYS 17 H LYS 17 20.323 2.149 2.444
113 HA LYS 17 HA LYS 17 21.550 4.740 2.564
114 HB2 LYS 17 HB2 LYS 17 19.705 4.428 4.021
115 HB3 LYS 17 HB3 LYS 17 20.355 2.911 4.643
116 HG2 LYS 17 HG2 LYS 17 22.039 3.997 5.888
117 HG3 LYS 17 HG3 LYS 17 21.866 5.497 4.974
118 HD2 LYS 17 HD2 LYS 17 19.341 4.785 6.188
119 HD3 LYS 17 HD3 LYS 17 20.608 4.833 7.415
120 HE2 LYS 17 HE2 LYS 17 20.347 7.043 5.382
121 HE3 LYS 17 HE3 LYS 17 19.376 7.049 6.856
122 HZ1 LYS 17 HZ1 LYS 17 22.337 7.009 6.662
123 HZ2 LYS 17 HZ2 LYS 17 21.481 6.795 8.114
124 HZ3 LYS 17 HZ3 LYS 17 21.367 8.264 7.265
125 H GLU 18 H GLU 18 22.418 1.504 3.637
126 HA GLU 18 HA GLU 18 24.792 2.255 5.017
127 HB2 GLU 18 HB2 GLU 18 23.569 -0.288 4.064
128 HB3 GLU 18 HB3 GLU 18 25.296 -0.299 4.423
129 HG2 GLU 18 HG2 GLU 18 23.141 0.683 6.315
130 HG3 GLU 18 HG3 GLU 18 23.919 -0.896 6.407
131 H LYS 19 H LYS 19 24.129 1.105 1.731
132 HA LYS 19 HA LYS 19 26.802 0.925 0.862
133 HB2 LYS 19 HB2 LYS 19 24.888 -0.016 -0.397
134 HB3 LYS 19 HB3 LYS 19 24.345 1.621 -0.770
135 HG2 LYS 19 HG2 LYS 19 25.612 1.342 -2.647
136 HG3 LYS 19 HG3 LYS 19 26.946 1.763 -1.573
137 HD2 LYS 19 HD2 LYS 19 27.300 -0.641 -1.084
138 HD3 LYS 19 HD3 LYS 19 25.994 -1.048 -2.198
139 HE2 LYS 19 HE2 LYS 19 27.731 -1.223 -3.685
140 HE3 LYS 19 HE3 LYS 19 27.474 0.516 -3.821
141 HZ1 LYS 19 HZ1 LYS 19 29.807 -0.651 -3.146
142 HZ2 LYS 19 HZ2 LYS 19 29.168 -0.258 -1.622
143 HZ3 LYS 19 HZ3 LYS 19 29.391 0.954 -2.790
144 H LYS 20 H LYS 20 24.528 3.627 0.979
145 HA LYS 20 HA LYS 20 26.297 5.452 -0.373
146 HB2 LYS 20 HB2 LYS 20 23.654 5.529 0.103
147 HB3 LYS 20 HB3 LYS 20 24.209 6.472 1.486
148 HG2 LYS 20 HG2 LYS 20 25.702 7.665 -0.363
149 HG3 LYS 20 HG3 LYS 20 24.426 7.086 -1.434
150 HD2 LYS 20 HD2 LYS 20 23.545 9.138 -0.794
151 HD3 LYS 20 HD3 LYS 20 22.843 8.086 0.435
152 HE2 LYS 20 HE2 LYS 20 24.596 8.674 2.013
153 HE3 LYS 20 HE3 LYS 20 25.436 9.615 0.782
154 HZ1 LYS 20 HZ1 LYS 20 23.793 10.726 2.490
155 HZ2 LYS 20 HZ2 LYS 20 22.643 10.276 1.324
156 HZ3 LYS 20 HZ3 LYS 20 23.936 11.292 0.897
157 H GLU 21 H GLU 21 25.727 4.395 2.896
158 HA GLU 21 HA GLU 21 26.985 6.467 4.310
159 HB2 GLU 21 HB2 GLU 21 25.670 4.616 5.356
160 HB3 GLU 21 HB3 GLU 21 27.009 3.520 5.010
161 HG2 GLU 21 HG2 GLU 21 28.467 4.640 6.489
162 HG3 GLU 21 HG3 GLU 21 27.461 6.086 6.524
163 H VAL 22 H VAL 22 28.267 3.757 2.479
164 HA VAL 22 HA VAL 22 30.870 3.640 3.446
165 HB VAL 22 HB VAL 22 31.485 2.637 1.383
166 HG11 VAL 22 HG11 VAL 22 28.511 2.197 1.792
167 HG12 VAL 22 HG12 VAL 22 29.798 1.381 2.677
168 HG13 VAL 22 HG13 VAL 22 29.605 1.103 0.946
169 HG21 VAL 22 HG21 VAL 22 29.349 4.432 0.298
170 HG22 VAL 22 HG22 VAL 22 29.658 2.913 -0.541
171 HG23 VAL 22 HG23 VAL 22 30.956 4.091 -0.343
172 H VAL 23 H VAL 23 29.343 6.033 1.376
173 HA VAL 23 HA VAL 23 31.654 7.310 0.406
174 HB VAL 23 HB VAL 23 30.252 9.172 -0.103
175 HG11 VAL 23 HG11 VAL 23 28.084 7.951 -0.847
176 HG12 VAL 23 HG12 VAL 23 28.843 6.506 -0.181
177 HG13 VAL 23 HG13 VAL 23 29.619 7.378 -1.502
178 HG21 VAL 23 HG21 VAL 23 29.106 9.869 1.763
179 HG22 VAL 23 HG22 VAL 23 28.782 8.224 2.308
180 HG23 VAL 23 HG23 VAL 23 27.808 8.935 1.021
181 H GLU 24 H GLU 24 29.915 7.603 3.455
182 HA GLU 24 HA GLU 24 31.240 9.868 4.472
183 HB2 GLU 24 HB2 GLU 24 30.005 7.478 5.842
184 HB3 GLU 24 HB3 GLU 24 30.666 8.853 6.724
185 HG2 GLU 24 HG2 GLU 24 28.819 9.532 4.509
186 HG3 GLU 24 HG3 GLU 24 28.082 8.715 5.886
187 H GLU 25 H GLU 25 32.080 6.453 4.406
188 HA GLU 25 HA GLU 25 34.264 6.451 6.148
189 HB2 GLU 25 HB2 GLU 25 33.113 4.503 4.814
190 HB3 GLU 25 HB3 GLU 25 34.331 4.873 3.594
191 HG2 GLU 25 HG2 GLU 25 35.749 3.576 4.774
192 HG3 GLU 25 HG3 GLU 25 35.760 4.851 5.992
193 H ALA 26 H ALA 26 33.815 8.000 3.151
194 HA ALA 26 HA ALA 26 36.328 8.058 1.989
195 HB1 ALA 26 HB1 ALA 26 34.326 9.100 0.993
196 HB2 ALA 26 HB2 ALA 26 35.685 10.224 1.038
197 HB3 ALA 26 HB3 ALA 26 34.384 10.364 2.221
198 H GLU 27 H GLU 27 35.114 9.910 4.727
199 HA GLU 27 HA GLU 27 37.284 11.688 5.006
200 HB2 GLU 27 HB2 GLU 27 35.018 11.783 6.176
201 HB3 GLU 27 HB3 GLU 27 35.658 10.578 7.294
202 HG2 GLU 27 HG2 GLU 27 37.674 12.226 7.522
203 HG3 GLU 27 HG3 GLU 27 36.551 13.417 6.868
204 H ASN 28 H ASN 28 36.805 8.369 6.027
205 HA ASN 28 HA ASN 28 39.191 8.329 7.676
206 HB2 ASN 28 HB2 ASN 28 36.993 6.459 7.016
207 HB3 ASN 28 HB3 ASN 28 38.553 5.717 7.364
208 HD21 ASN 28 HD21 ASN 28 36.664 5.151 9.233
209 HD22 ASN 28 HD22 ASN 28 36.877 6.079 10.639
Start of MODEL 10
1 H1 ACE 0 H1 ACE 0 27.312 -3.117 -14.607
2 H2 ACE 0 H2 ACE 0 26.669 -4.634 -13.981
3 H3 ACE 0 H3 ACE 0 28.362 -4.219 -13.715
4 H SER 1 H SER 1 27.450 -1.345 -13.267
5 HA SER 1 HA SER 1 26.625 -1.709 -10.455
6 HB2 SER 1 HB2 SER 1 28.748 -0.667 -10.475
7 HB3 SER 1 HB3 SER 1 28.309 0.384 -11.817
8 HG SER 1 HG SER 1 28.213 1.492 -9.831
9 H ASP 2 H ASP 2 26.566 1.148 -12.530
10 HA ASP 2 HA ASP 2 24.235 2.259 -11.576
11 HB2 ASP 2 HB2 ASP 2 25.747 3.426 -13.120
12 HB3 ASP 2 HB3 ASP 2 25.257 2.348 -14.426
13 H ALA 3 H ALA 3 24.639 -0.231 -14.037
14 HA ALA 3 HA ALA 3 21.998 -0.333 -14.989
15 HB1 ALA 3 HB1 ALA 3 22.957 -1.877 -16.296
16 HB2 ALA 3 HB2 ALA 3 23.058 -2.975 -14.920
17 HB3 ALA 3 HB3 ALA 3 24.389 -1.872 -15.268
18 H ALA 4 H ALA 4 23.409 -1.386 -12.010
19 HA ALA 4 HA ALA 4 21.689 -3.400 -11.179
20 HB1 ALA 4 HB1 ALA 4 23.751 -2.398 -9.991
21 HB2 ALA 4 HB2 ALA 4 22.411 -2.949 -8.986
22 HB3 ALA 4 HB3 ALA 4 22.618 -1.229 -9.311
23 H VAL 5 H VAL 5 21.043 -0.061 -11.696
24 HA VAL 5 HA VAL 5 19.015 0.610 -10.007
25 HB VAL 5 HB VAL 5 19.870 2.047 -11.852
26 HG11 VAL 5 HG11 VAL 5 19.835 0.304 -13.615
27 HG12 VAL 5 HG12 VAL 5 18.935 1.739 -14.108
28 HG13 VAL 5 HG13 VAL 5 18.072 0.300 -13.564
29 HG21 VAL 5 HG21 VAL 5 16.950 1.940 -12.377
30 HG22 VAL 5 HG22 VAL 5 17.947 3.288 -11.832
31 HG23 VAL 5 HG23 VAL 5 17.418 2.063 -10.680
32 H ASP 6 H ASP 6 18.893 -1.567 -12.777
33 HA ASP 6 HA ASP 6 16.104 -2.010 -12.800
34 HB2 ASP 6 HB2 ASP 6 18.451 -3.719 -13.635
35 HB3 ASP 6 HB3 ASP 6 16.788 -4.278 -13.793
36 H THR 7 H THR 7 18.771 -3.390 -10.985
37 HA THR 7 HA THR 7 17.384 -5.457 -9.660
38 HB THR 7 HB THR 7 19.489 -4.003 -8.157
39 HG1 THR 7 HG1 THR 7 20.087 -3.780 -10.380
40 HG21 THR 7 HG21 THR 7 19.311 -6.885 -9.058
41 HG22 THR 7 HG22 THR 7 18.510 -6.280 -7.609
42 HG23 THR 7 HG23 THR 7 20.267 -6.229 -7.729
43 H SER 8 H SER 8 17.804 -2.022 -9.025
44 HA SER 8 HA SER 8 16.891 -1.723 -6.463
45 HB2 SER 8 HB2 SER 8 17.528 0.059 -8.252
46 HB3 SER 8 HB3 SER 8 15.808 0.056 -8.633
47 HG SER 8 HG SER 8 16.717 1.536 -6.901
48 H SER 9 H SER 9 15.179 -3.032 -9.112
49 HA SER 9 HA SER 9 12.523 -2.431 -8.600
50 HB2 SER 9 HB2 SER 9 13.700 -5.081 -9.469
51 HB3 SER 9 HB3 SER 9 12.001 -4.638 -9.598
52 HG SER 9 HG SER 9 13.901 -4.150 -11.323
53 H GLU 10 H GLU 10 14.608 -4.836 -7.046
54 HA GLU 10 HA GLU 10 12.589 -5.983 -5.400
55 HB2 GLU 10 HB2 GLU 10 15.098 -6.715 -5.990
56 HB3 GLU 10 HB3 GLU 10 15.411 -5.908 -4.454
57 HG2 GLU 10 HG2 GLU 10 14.856 -7.928 -3.558
58 HG3 GLU 10 HG3 GLU 10 13.203 -7.372 -3.812
59 H ILE 11 H ILE 11 13.779 -2.925 -5.465
60 HA ILE 11 HA ILE 11 13.663 -1.134 -4.044
61 HB ILE 11 HB ILE 11 11.980 -3.012 -2.369
62 HG12 ILE 11 HG12 ILE 11 10.364 -1.110 -3.607
63 HG13 ILE 11 HG13 ILE 11 11.519 -1.550 -4.865
64 HG21 ILE 11 HG21 ILE 11 11.816 -1.325 -0.886
65 HG22 ILE 11 HG22 ILE 11 11.326 -0.213 -2.163
66 HG23 ILE 11 HG23 ILE 11 13.037 -0.439 -1.799
67 HD11 ILE 11 HD11 ILE 11 11.003 -3.931 -4.524
68 HD12 ILE 11 HD12 ILE 11 9.535 -3.030 -4.906
69 HD13 ILE 11 HD13 ILE 11 9.868 -3.510 -3.242
70 H THR 12 H THR 12 16.022 -1.874 -3.845
71 HA THR 12 HA THR 12 16.613 -2.440 -0.999
72 HB THR 12 HB THR 12 17.431 -4.288 -2.277
73 HG1 THR 12 HG1 THR 12 19.283 -4.147 -1.333
74 HG21 THR 12 HG21 THR 12 18.437 -2.147 -4.153
75 HG22 THR 12 HG22 THR 12 17.343 -3.482 -4.511
76 HG23 THR 12 HG23 THR 12 19.049 -3.799 -4.205
77 H THR 13 H THR 13 16.190 0.092 -2.682
78 HA THR 13 HA THR 13 18.723 1.414 -2.782
79 HB THR 13 HB THR 13 16.235 3.013 -2.521
80 HG1 THR 13 HG1 THR 13 16.133 0.840 -3.874
81 HG21 THR 13 HG21 THR 13 17.343 4.434 -3.941
82 HG22 THR 13 HG22 THR 13 18.074 3.115 -4.857
83 HG23 THR 13 HG23 THR 13 18.747 3.583 -3.296
84 H LYS 14 H LYS 14 15.975 1.518 -0.522
85 HA LYS 14 HA LYS 14 17.153 3.396 1.248
86 HB2 LYS 14 HB2 LYS 14 14.727 2.902 1.221
87 HB3 LYS 14 HB3 LYS 14 15.061 1.281 1.830
88 HG2 LYS 14 HG2 LYS 14 14.737 2.270 3.865
89 HG3 LYS 14 HG3 LYS 14 16.416 2.767 3.657
90 HD2 LYS 14 HD2 LYS 14 15.276 4.773 2.321
91 HD3 LYS 14 HD3 LYS 14 13.913 4.374 3.368
92 HE2 LYS 14 HE2 LYS 14 16.611 5.441 4.087
93 HE3 LYS 14 HE3 LYS 14 15.030 5.853 4.750
94 HZ1 LYS 14 HZ1 LYS 14 16.277 4.602 6.355
95 HZ2 LYS 14 HZ2 LYS 14 16.555 3.352 5.240
96 HZ3 LYS 14 HZ3 LYS 14 14.982 3.653 5.810
97 H ASP 15 H ASP 15 17.173 -0.123 1.074
98 HA ASP 15 HA ASP 15 18.439 -0.641 3.547
99 HB2 ASP 15 HB2 ASP 15 18.373 -2.108 0.915
100 HB3 ASP 15 HB3 ASP 15 19.250 -2.729 2.312
101 H LEU 16 H LEU 16 19.594 0.247 0.382
102 HA LEU 16 HA LEU 16 22.323 -0.228 0.606
103 HB2 LEU 16 HB2 LEU 16 20.790 0.746 -1.334
104 HB3 LEU 16 HB3 LEU 16 21.371 2.284 -0.703
105 HG LEU 16 HG LEU 16 23.326 0.060 -1.276
106 HD11 LEU 16 HD11 LEU 16 22.356 0.127 -3.388
107 HD12 LEU 16 HD12 LEU 16 23.577 1.392 -3.531
108 HD13 LEU 16 HD13 LEU 16 21.891 1.820 -3.234
109 HD21 LEU 16 HD21 LEU 16 24.431 1.828 -0.225
110 HD22 LEU 16 HD22 LEU 16 23.379 3.049 -0.939
111 HD23 LEU 16 HD23 LEU 16 24.621 2.274 -1.919
112 H LYS 17 H LYS 17 20.350 2.218 2.067
113 HA LYS 17 HA LYS 17 22.101 4.268 2.586
114 HB2 LYS 17 HB2 LYS 17 19.591 3.886 3.294
115 HB3 LYS 17 HB3 LYS 17 20.329 3.391 4.819
116 HG2 LYS 17 HG2 LYS 17 20.028 5.712 5.096
117 HG3 LYS 17 HG3 LYS 17 21.716 5.579 4.600
118 HD2 LYS 17 HD2 LYS 17 20.467 5.721 2.172
119 HD3 LYS 17 HD3 LYS 17 19.419 6.743 3.156
120 HE2 LYS 17 HE2 LYS 17 22.430 7.039 3.125
121 HE3 LYS 17 HE3 LYS 17 21.369 7.939 2.041
122 HZ1 LYS 17 HZ1 LYS 17 21.878 8.330 4.836
123 HZ2 LYS 17 HZ2 LYS 17 20.218 8.268 4.476
124 HZ3 LYS 17 HZ3 LYS 17 21.218 9.399 3.696
125 H GLU 18 H GLU 18 21.948 1.146 4.202
126 HA GLU 18 HA GLU 18 23.741 1.905 6.313
127 HB2 GLU 18 HB2 GLU 18 24.019 -0.636 6.558
128 HB3 GLU 18 HB3 GLU 18 22.408 0.028 6.819
129 HG2 GLU 18 HG2 GLU 18 21.553 -1.076 5.052
130 HG3 GLU 18 HG3 GLU 18 22.919 -0.651 4.017
131 H LYS 19 H LYS 19 24.118 0.458 3.138
132 HA LYS 19 HA LYS 19 26.927 -0.074 3.433
133 HB2 LYS 19 HB2 LYS 19 24.934 -0.167 1.214
134 HB3 LYS 19 HB3 LYS 19 26.641 -0.065 0.780
135 HG2 LYS 19 HG2 LYS 19 27.063 -2.014 2.332
136 HG3 LYS 19 HG3 LYS 19 25.314 -2.176 2.503
137 HD2 LYS 19 HD2 LYS 19 25.769 -1.982 -0.266
138 HD3 LYS 19 HD3 LYS 19 27.023 -3.066 0.336
139 HE2 LYS 19 HE2 LYS 19 24.876 -4.228 -0.300
140 HE3 LYS 19 HE3 LYS 19 25.382 -4.507 1.366
141 HZ1 LYS 19 HZ1 LYS 19 23.849 -2.205 1.387
142 HZ2 LYS 19 HZ2 LYS 19 23.423 -3.730 2.000
143 HZ3 LYS 19 HZ3 LYS 19 23.007 -3.305 0.409
144 H LYS 20 H LYS 20 24.968 2.563 2.157
145 HA LYS 20 HA LYS 20 27.062 4.033 0.941
146 HB2 LYS 20 HB2 LYS 20 24.254 4.408 1.537
147 HB3 LYS 20 HB3 LYS 20 25.159 5.877 1.894
148 HG2 LYS 20 HG2 LYS 20 25.689 4.431 -0.686
149 HG3 LYS 20 HG3 LYS 20 24.253 5.444 -0.544
150 HD2 LYS 20 HD2 LYS 20 25.783 7.293 0.307
151 HD3 LYS 20 HD3 LYS 20 27.139 6.284 -0.199
152 HE2 LYS 20 HE2 LYS 20 26.900 7.078 -2.291
153 HE3 LYS 20 HE3 LYS 20 25.312 6.316 -2.366
154 HZ1 LYS 20 HZ1 LYS 20 25.072 8.633 -0.836
155 HZ2 LYS 20 HZ2 LYS 20 24.404 8.315 -2.366
156 HZ3 LYS 20 HZ3 LYS 20 25.930 9.050 -2.238
157 H GLU 21 H GLU 21 25.933 3.735 4.230
158 HA GLU 21 HA GLU 21 27.078 6.038 5.348
159 HB2 GLU 21 HB2 GLU 21 25.489 4.360 6.438
160 HB3 GLU 21 HB3 GLU 21 26.918 3.377 6.757
161 HG2 GLU 21 HG2 GLU 21 27.938 5.467 7.825
162 HG3 GLU 21 HG3 GLU 21 26.320 6.165 7.758
163 H VAL 22 H VAL 22 28.464 2.770 4.918
164 HA VAL 22 HA VAL 22 30.916 3.300 6.181
165 HB VAL 22 HB VAL 22 31.667 1.271 5.330
166 HG11 VAL 22 HG11 VAL 22 28.733 0.829 4.855
167 HG12 VAL 22 HG12 VAL 22 29.305 1.270 6.464
168 HG13 VAL 22 HG13 VAL 22 29.893 -0.203 5.692
169 HG21 VAL 22 HG21 VAL 22 31.771 1.411 3.027
170 HG22 VAL 22 HG22 VAL 22 30.160 2.110 2.890
171 HG23 VAL 22 HG23 VAL 22 30.348 0.382 3.176
172 H VAL 23 H VAL 23 29.827 3.963 2.899
173 HA VAL 23 HA VAL 23 32.318 4.547 1.728
174 HB VAL 23 HB VAL 23 29.596 5.746 1.149
175 HG11 VAL 23 HG11 VAL 23 31.475 7.103 0.258
176 HG12 VAL 23 HG12 VAL 23 30.568 6.322 -1.037
177 HG13 VAL 23 HG13 VAL 23 32.124 5.665 -0.531
178 HG21 VAL 23 HG21 VAL 23 29.932 3.211 0.979
179 HG22 VAL 23 HG22 VAL 23 31.070 3.552 -0.324
180 HG23 VAL 23 HG23 VAL 23 29.377 4.018 -0.487
181 H GLU 24 H GLU 24 30.369 6.306 3.991
182 HA GLU 24 HA GLU 24 31.174 8.926 3.592
183 HB2 GLU 24 HB2 GLU 24 29.545 8.039 5.330
184 HB3 GLU 24 HB3 GLU 24 30.954 7.651 6.316
185 HG2 GLU 24 HG2 GLU 24 31.430 9.852 6.753
186 HG3 GLU 24 HG3 GLU 24 30.852 10.398 5.180
187 H GLU 25 H GLU 25 32.876 6.268 5.166
188 HA GLU 25 HA GLU 25 35.013 7.664 6.290
189 HB2 GLU 25 HB2 GLU 25 34.788 4.899 5.108
190 HB3 GLU 25 HB3 GLU 25 36.314 5.495 5.764
191 HG2 GLU 25 HG2 GLU 25 35.607 5.244 7.892
192 HG3 GLU 25 HG3 GLU 25 34.068 6.032 7.549
193 H ALA 26 H ALA 26 34.067 7.328 3.067
194 HA ALA 26 HA ALA 26 36.592 7.453 1.756
195 HB1 ALA 26 HB1 ALA 26 33.881 8.416 0.811
196 HB2 ALA 26 HB2 ALA 26 34.527 6.791 0.588
197 HB3 ALA 26 HB3 ALA 26 35.296 8.162 -0.210
198 H GLU 27 H GLU 27 34.433 9.860 3.113
199 HA GLU 27 HA GLU 27 35.597 12.162 1.947
200 HB2 GLU 27 HB2 GLU 27 33.411 11.756 3.463
201 HB3 GLU 27 HB3 GLU 27 34.512 12.354 4.705
202 HG2 GLU 27 HG2 GLU 27 35.073 14.221 2.973
203 HG3 GLU 27 HG3 GLU 27 33.557 13.740 2.209
204 H ASN 28 H ASN 28 36.760 9.967 4.257
205 HA ASN 28 HA ASN 28 38.378 11.727 5.821
206 HB2 ASN 28 HB2 ASN 28 37.643 9.355 6.413
207 HB3 ASN 28 HB3 ASN 28 38.913 8.802 5.323
208 HD21 ASN 28 HD21 ASN 28 38.717 11.398 7.834
209 HD22 ASN 28 HD22 ASN 28 40.149 10.935 8.619
Start of MODEL 11
1 H1 ACE 0 H1 ACE 0 14.862 -8.593 17.823
2 H2 ACE 0 H2 ACE 0 16.123 -9.452 16.939
3 H3 ACE 0 H3 ACE 0 14.686 -8.880 16.092
4 H SER 1 H SER 1 17.857 -8.265 16.457
5 HA SER 1 HA SER 1 17.508 -5.354 16.047
6 HB2 SER 1 HB2 SER 1 19.654 -6.862 17.529
7 HB3 SER 1 HB3 SER 1 19.922 -5.232 16.916
8 HG SER 1 HG SER 1 18.957 -5.680 19.167
9 H ASP 2 H ASP 2 20.475 -7.203 15.737
10 HA ASP 2 HA ASP 2 21.313 -6.141 13.341
11 HB2 ASP 2 HB2 ASP 2 21.997 -8.964 13.519
12 HB3 ASP 2 HB3 ASP 2 23.043 -7.549 13.626
13 H ALA 3 H ALA 3 19.142 -8.859 13.896
14 HA ALA 3 HA ALA 3 18.977 -9.840 11.270
15 HB1 ALA 3 HB1 ALA 3 17.250 -9.963 13.694
16 HB2 ALA 3 HB2 ALA 3 17.942 -11.271 12.734
17 HB3 ALA 3 HB3 ALA 3 16.522 -10.405 12.149
18 H ALA 4 H ALA 4 17.939 -6.864 12.555
19 HA ALA 4 HA ALA 4 15.611 -6.222 11.253
20 HB1 ALA 4 HB1 ALA 4 16.529 -4.566 12.665
21 HB2 ALA 4 HB2 ALA 4 16.631 -3.874 11.046
22 HB3 ALA 4 HB3 ALA 4 18.067 -4.563 11.802
23 H VAL 5 H VAL 5 18.640 -6.998 9.836
24 HA VAL 5 HA VAL 5 18.488 -5.596 7.410
25 HB VAL 5 HB VAL 5 20.061 -7.192 6.551
26 HG11 VAL 5 HG11 VAL 5 20.330 -5.993 9.129
27 HG12 VAL 5 HG12 VAL 5 21.603 -6.385 7.973
28 HG13 VAL 5 HG13 VAL 5 21.117 -7.570 9.185
29 HG21 VAL 5 HG21 VAL 5 18.775 -8.969 8.594
30 HG22 VAL 5 HG22 VAL 5 20.459 -9.265 8.163
31 HG23 VAL 5 HG23 VAL 5 19.207 -9.320 6.922
32 H ASP 6 H ASP 6 17.077 -8.670 8.448
33 HA ASP 6 HA ASP 6 16.003 -9.438 5.947
34 HB2 ASP 6 HB2 ASP 6 16.162 -10.810 8.133
35 HB3 ASP 6 HB3 ASP 6 14.664 -10.000 8.591
36 H THR 7 H THR 7 14.848 -7.408 8.571
37 HA THR 7 HA THR 7 12.248 -6.895 7.588
38 HB THR 7 HB THR 7 14.003 -5.086 9.266
39 HG1 THR 7 HG1 THR 7 13.425 -7.413 9.887
40 HG21 THR 7 HG21 THR 7 12.014 -3.989 9.908
41 HG22 THR 7 HG22 THR 7 10.996 -5.287 9.286
42 HG23 THR 7 HG23 THR 7 11.831 -4.209 8.168
43 H SER 8 H SER 8 15.392 -5.407 7.016
44 HA SER 8 HA SER 8 14.579 -3.111 5.634
45 HB2 SER 8 HB2 SER 8 16.793 -2.849 5.096
46 HB3 SER 8 HB3 SER 8 16.966 -4.042 6.379
47 HG SER 8 HG SER 8 17.141 -4.334 3.593
48 H SER 9 H SER 9 14.385 -6.413 4.721
49 HA SER 9 HA SER 9 14.611 -6.262 1.935
50 HB2 SER 9 HB2 SER 9 13.702 -8.386 1.889
51 HB3 SER 9 HB3 SER 9 14.226 -8.303 3.568
52 HG SER 9 HG SER 9 12.173 -7.955 4.201
53 H GLU 10 H GLU 10 11.914 -5.497 4.078
54 HA GLU 10 HA GLU 10 9.898 -5.227 2.130
55 HB2 GLU 10 HB2 GLU 10 10.318 -3.991 4.846
56 HB3 GLU 10 HB3 GLU 10 8.917 -3.580 3.855
57 HG2 GLU 10 HG2 GLU 10 9.445 -6.470 4.034
58 HG3 GLU 10 HG3 GLU 10 9.042 -5.720 5.579
59 H ILE 11 H ILE 11 12.557 -3.185 3.035
60 HA ILE 11 HA ILE 11 11.873 -1.354 0.851
61 HB ILE 11 HB ILE 11 10.939 -0.334 2.899
62 HG12 ILE 11 HG12 ILE 11 13.326 1.355 2.440
63 HG13 ILE 11 HG13 ILE 11 12.470 0.855 0.981
64 HG21 ILE 11 HG21 ILE 11 12.052 -0.347 4.860
65 HG22 ILE 11 HG22 ILE 11 13.499 0.329 4.112
66 HG23 ILE 11 HG23 ILE 11 13.229 -1.413 4.093
67 HD11 ILE 11 HD11 ILE 11 10.841 1.851 3.277
68 HD12 ILE 11 HD12 ILE 11 10.545 1.998 1.545
69 HD13 ILE 11 HD13 ILE 11 11.738 3.035 2.325
70 H THR 12 H THR 12 13.631 -2.343 -0.235
71 HA THR 12 HA THR 12 16.248 -2.526 0.863
72 HB THR 12 HB THR 12 16.949 -2.916 -1.483
73 HG1 THR 12 HG1 THR 12 15.749 -2.013 -2.928
74 HG21 THR 12 HG21 THR 12 15.692 -4.968 -1.782
75 HG22 THR 12 HG22 THR 12 14.382 -4.358 -0.771
76 HG23 THR 12 HG23 THR 12 15.953 -4.721 -0.056
77 H THR 13 H THR 13 14.476 0.119 -0.459
78 HA THR 13 HA THR 13 16.531 1.670 -1.545
79 HB THR 13 HB THR 13 14.853 3.474 -0.201
80 HG1 THR 13 HG1 THR 13 13.741 1.115 -0.163
81 HG21 THR 13 HG21 THR 13 13.747 3.526 -2.536
82 HG22 THR 13 HG22 THR 13 14.928 2.290 -2.972
83 HG23 THR 13 HG23 THR 13 15.472 3.882 -2.441
84 H LYS 14 H LYS 14 15.574 1.137 1.799
85 HA LYS 14 HA LYS 14 17.344 3.126 2.880
86 HB2 LYS 14 HB2 LYS 14 15.335 2.401 4.107
87 HB3 LYS 14 HB3 LYS 14 15.988 0.768 4.217
88 HG2 LYS 14 HG2 LYS 14 18.067 2.290 5.203
89 HG3 LYS 14 HG3 LYS 14 16.657 3.163 5.793
90 HD2 LYS 14 HD2 LYS 14 16.914 0.165 6.090
91 HD3 LYS 14 HD3 LYS 14 17.564 1.279 7.291
92 HE2 LYS 14 HE2 LYS 14 15.441 0.930 8.157
93 HE3 LYS 14 HE3 LYS 14 15.142 2.343 7.146
94 HZ1 LYS 14 HZ1 LYS 14 13.563 0.403 6.894
95 HZ2 LYS 14 HZ2 LYS 14 14.837 -0.414 6.122
96 HZ3 LYS 14 HZ3 LYS 14 14.227 1.029 5.464
97 H ASP 15 H ASP 15 17.489 -0.346 2.295
98 HA ASP 15 HA ASP 15 19.822 -0.987 3.688
99 HB2 ASP 15 HB2 ASP 15 18.134 -2.279 1.912
100 HB3 ASP 15 HB3 ASP 15 19.666 -2.232 1.049
101 H LEU 16 H LEU 16 19.338 0.408 0.504
102 HA LEU 16 HA LEU 16 21.944 0.405 -0.474
103 HB2 LEU 16 HB2 LEU 16 19.574 1.359 -1.377
104 HB3 LEU 16 HB3 LEU 16 20.363 2.869 -0.923
105 HG LEU 16 HG LEU 16 22.406 2.027 -2.215
106 HD11 LEU 16 HD11 LEU 16 22.208 -0.185 -2.739
107 HD12 LEU 16 HD12 LEU 16 21.317 0.427 -4.132
108 HD13 LEU 16 HD13 LEU 16 20.446 -0.140 -2.707
109 HD21 LEU 16 HD21 LEU 16 20.388 2.245 -4.309
110 HD22 LEU 16 HD22 LEU 16 21.666 3.377 -3.869
111 HD23 LEU 16 HD23 LEU 16 20.120 3.422 -3.025
112 H LYS 17 H LYS 17 20.419 2.376 1.954
113 HA LYS 17 HA LYS 17 22.383 4.440 2.042
114 HB2 LYS 17 HB2 LYS 17 20.970 5.362 3.530
115 HB3 LYS 17 HB3 LYS 17 19.909 3.991 3.221
116 HG2 LYS 17 HG2 LYS 17 21.044 2.735 5.044
117 HG3 LYS 17 HG3 LYS 17 22.029 4.157 5.385
118 HD2 LYS 17 HD2 LYS 17 20.136 5.437 6.059
119 HD3 LYS 17 HD3 LYS 17 19.008 4.256 5.392
120 HE2 LYS 17 HE2 LYS 17 20.740 4.008 7.853
121 HE3 LYS 17 HE3 LYS 17 18.991 3.830 7.724
122 HZ1 LYS 17 HZ1 LYS 17 19.577 1.657 7.728
123 HZ2 LYS 17 HZ2 LYS 17 21.111 1.939 7.053
124 HZ3 LYS 17 HZ3 LYS 17 19.730 1.936 6.063
125 H GLU 18 H GLU 18 22.035 1.333 3.654
126 HA GLU 18 HA GLU 18 24.080 1.679 5.578
127 HB2 GLU 18 HB2 GLU 18 22.444 -0.111 5.790
128 HB3 GLU 18 HB3 GLU 18 23.019 -0.847 4.293
129 HG2 GLU 18 HG2 GLU 18 25.272 -0.424 6.013
130 HG3 GLU 18 HG3 GLU 18 24.013 -1.244 6.935
131 H LYS 19 H LYS 19 24.114 0.314 2.303
132 HA LYS 19 HA LYS 19 26.891 -0.365 2.349
133 HB2 LYS 19 HB2 LYS 19 25.041 0.125 0.000
134 HB3 LYS 19 HB3 LYS 19 26.627 -0.642 -0.087
135 HG2 LYS 19 HG2 LYS 19 25.883 -2.601 0.848
136 HG3 LYS 19 HG3 LYS 19 24.712 -1.783 1.883
137 HD2 LYS 19 HD2 LYS 19 23.281 -1.358 -0.102
138 HD3 LYS 19 HD3 LYS 19 24.435 -2.238 -1.103
139 HE2 LYS 19 HE2 LYS 19 23.247 -4.094 -0.607
140 HE3 LYS 19 HE3 LYS 19 23.946 -3.982 1.007
141 HZ1 LYS 19 HZ1 LYS 19 21.890 -3.690 1.746
142 HZ2 LYS 19 HZ2 LYS 19 21.264 -3.539 0.174
143 HZ3 LYS 19 HZ3 LYS 19 21.877 -2.175 0.983
144 H LYS 20 H LYS 20 25.034 2.413 1.202
145 HA LYS 20 HA LYS 20 27.174 3.814 0.002
146 HB2 LYS 20 HB2 LYS 20 24.482 4.558 1.080
147 HB3 LYS 20 HB3 LYS 20 25.623 5.839 0.680
148 HG2 LYS 20 HG2 LYS 20 25.222 3.643 -1.313
149 HG3 LYS 20 HG3 LYS 20 23.951 4.854 -1.152
150 HD2 LYS 20 HD2 LYS 20 25.951 6.563 -1.313
151 HD3 LYS 20 HD3 LYS 20 26.795 5.204 -2.055
152 HE2 LYS 20 HE2 LYS 20 24.540 5.024 -3.455
153 HE3 LYS 20 HE3 LYS 20 24.423 6.735 -3.041
154 HZ1 LYS 20 HZ1 LYS 20 26.132 5.451 -4.917
155 HZ2 LYS 20 HZ2 LYS 20 27.033 6.352 -3.792
156 HZ3 LYS 20 HZ3 LYS 20 25.815 7.103 -4.709
157 H GLU 21 H GLU 21 26.104 3.446 3.303
158 HA GLU 21 HA GLU 21 27.348 5.613 4.529
159 HB2 GLU 21 HB2 GLU 21 25.817 4.036 5.675
160 HB3 GLU 21 HB3 GLU 21 27.079 2.804 5.629
161 HG2 GLU 21 HG2 GLU 21 28.573 4.503 6.825
162 HG3 GLU 21 HG3 GLU 21 27.106 5.436 7.113
163 H VAL 22 H VAL 22 28.695 2.454 3.597
164 HA VAL 22 HA VAL 22 31.167 2.566 4.826
165 HB VAL 22 HB VAL 22 31.981 1.093 3.123
166 HG11 VAL 22 HG11 VAL 22 30.267 0.090 4.513
167 HG12 VAL 22 HG12 VAL 22 30.028 -0.471 2.858
168 HG13 VAL 22 HG13 VAL 22 28.992 0.792 3.520
169 HG21 VAL 22 HG21 VAL 22 31.620 1.919 1.020
170 HG22 VAL 22 HG22 VAL 22 30.063 2.622 1.456
171 HG23 VAL 22 HG23 VAL 22 30.181 0.901 1.092
172 H VAL 23 H VAL 23 30.048 4.288 1.969
173 HA VAL 23 HA VAL 23 32.508 5.268 1.037
174 HB VAL 23 HB VAL 23 30.026 5.427 0.098
175 HG11 VAL 23 HG11 VAL 23 29.475 7.043 2.025
176 HG12 VAL 23 HG12 VAL 23 29.001 7.547 0.403
177 HG13 VAL 23 HG13 VAL 23 30.445 8.228 1.151
178 HG21 VAL 23 HG21 VAL 23 30.842 7.087 -1.500
179 HG22 VAL 23 HG22 VAL 23 32.149 5.977 -1.094
180 HG23 VAL 23 HG23 VAL 23 32.105 7.587 -0.375
181 H GLU 24 H GLU 24 30.619 6.160 3.807
182 HA GLU 24 HA GLU 24 31.358 8.781 4.268
183 HB2 GLU 24 HB2 GLU 24 29.957 7.080 5.707
184 HB3 GLU 24 HB3 GLU 24 31.495 6.841 6.535
185 HG2 GLU 24 HG2 GLU 24 30.677 8.614 7.768
186 HG3 GLU 24 HG3 GLU 24 31.512 9.504 6.496
187 H GLU 25 H GLU 25 33.225 5.829 4.736
188 HA GLU 25 HA GLU 25 35.405 6.770 6.156
189 HB2 GLU 25 HB2 GLU 25 34.915 4.400 5.147
190 HB3 GLU 25 HB3 GLU 25 35.836 5.000 3.767
191 HG2 GLU 25 HG2 GLU 25 37.672 5.637 5.377
192 HG3 GLU 25 HG3 GLU 25 36.773 4.799 6.640
193 H ALA 26 H ALA 26 34.285 7.607 3.039
194 HA ALA 26 HA ALA 26 36.745 8.538 1.915
195 HB1 ALA 26 HB1 ALA 26 33.889 9.309 1.276
196 HB2 ALA 26 HB2 ALA 26 34.816 8.026 0.499
197 HB3 ALA 26 HB3 ALA 26 35.297 9.709 0.292
198 H GLU 27 H GLU 27 34.226 9.996 3.881
199 HA GLU 27 HA GLU 27 34.961 12.690 3.643
200 HB2 GLU 27 HB2 GLU 27 33.063 11.263 5.068
201 HB3 GLU 27 HB3 GLU 27 34.089 11.946 6.330
202 HG2 GLU 27 HG2 GLU 27 32.329 13.541 5.804
203 HG3 GLU 27 HG3 GLU 27 33.870 14.182 5.236
204 H ASN 28 H ASN 28 36.391 10.068 5.433
205 HA ASN 28 HA ASN 28 38.688 11.720 6.069
206 HB2 ASN 28 HB2 ASN 28 38.570 11.013 8.516
207 HB3 ASN 28 HB3 ASN 28 37.444 12.272 8.013
208 HD21 ASN 28 HD21 ASN 28 37.228 10.128 10.202
209 HD22 ASN 28 HD22 ASN 28 35.753 9.355 9.875
Start of MODEL 12
1 H1 ACE 0 H1 ACE 0 3.642 -22.346 -4.341
2 H2 ACE 0 H2 ACE 0 4.723 -22.717 -2.998
3 H3 ACE 0 H3 ACE 0 5.388 -22.360 -4.592
4 H SER 1 H SER 1 6.633 -20.770 -3.202
5 HA SER 1 HA SER 1 5.753 -18.150 -3.678
6 HB2 SER 1 HB2 SER 1 4.306 -19.104 -1.617
7 HB3 SER 1 HB3 SER 1 5.710 -18.514 -0.734
8 HG SER 1 HG SER 1 4.517 -16.735 -0.914
9 H ASP 2 H ASP 2 7.892 -20.436 -2.336
10 HA ASP 2 HA ASP 2 9.741 -18.902 -0.939
11 HB2 ASP 2 HB2 ASP 2 10.811 -20.958 -2.799
12 HB3 ASP 2 HB3 ASP 2 11.121 -20.722 -1.080
13 H ALA 3 H ALA 3 9.330 -19.313 -4.422
14 HA ALA 3 HA ALA 3 11.698 -18.068 -5.282
15 HB1 ALA 3 HB1 ALA 3 9.163 -18.881 -6.462
16 HB2 ALA 3 HB2 ALA 3 10.772 -18.836 -7.182
17 HB3 ALA 3 HB3 ALA 3 9.770 -17.385 -7.171
18 H ALA 4 H ALA 4 8.816 -16.769 -3.887
19 HA ALA 4 HA ALA 4 8.677 -14.198 -4.863
20 HB1 ALA 4 HB1 ALA 4 7.807 -13.565 -2.612
21 HB2 ALA 4 HB2 ALA 4 8.312 -15.146 -2.014
22 HB3 ALA 4 HB3 ALA 4 7.065 -15.029 -3.256
23 H VAL 5 H VAL 5 11.110 -15.586 -2.804
24 HA VAL 5 HA VAL 5 12.264 -13.488 -1.513
25 HB VAL 5 HB VAL 5 13.111 -15.837 -1.478
26 HG11 VAL 5 HG11 VAL 5 14.672 -16.525 -3.265
27 HG12 VAL 5 HG12 VAL 5 14.335 -15.028 -4.135
28 HG13 VAL 5 HG13 VAL 5 13.060 -16.226 -3.914
29 HG21 VAL 5 HG21 VAL 5 14.630 -13.378 -1.481
30 HG22 VAL 5 HG22 VAL 5 15.635 -14.696 -2.083
31 HG23 VAL 5 HG23 VAL 5 14.873 -14.822 -0.498
32 H ASP 6 H ASP 6 12.441 -14.250 -4.952
33 HA ASP 6 HA ASP 6 14.398 -12.351 -5.666
34 HB2 ASP 6 HB2 ASP 6 12.486 -14.044 -7.030
35 HB3 ASP 6 HB3 ASP 6 12.554 -12.451 -7.783
36 H THR 7 H THR 7 10.905 -12.145 -5.269
37 HA THR 7 HA THR 7 10.587 -9.469 -6.138
38 HB THR 7 HB THR 7 8.429 -9.544 -5.049
39 HG1 THR 7 HG1 THR 7 9.650 -10.901 -3.251
40 HG21 THR 7 HG21 THR 7 7.664 -11.867 -5.874
41 HG22 THR 7 HG22 THR 7 9.343 -12.102 -6.359
42 HG23 THR 7 HG23 THR 7 8.399 -10.786 -7.058
43 H SER 8 H SER 8 11.389 -10.934 -3.021
44 HA SER 8 HA SER 8 11.115 -8.666 -1.390
45 HB2 SER 8 HB2 SER 8 12.967 -11.042 -1.214
46 HB3 SER 8 HB3 SER 8 12.912 -9.789 0.021
47 HG SER 8 HG SER 8 10.966 -11.659 -0.750
48 H SER 9 H SER 9 13.316 -9.246 -3.923
49 HA SER 9 HA SER 9 15.599 -7.861 -3.066
50 HB2 SER 9 HB2 SER 9 16.213 -7.732 -5.347
51 HB3 SER 9 HB3 SER 9 15.248 -9.201 -5.230
52 HG SER 9 HG SER 9 13.879 -8.320 -6.544
53 H GLU 10 H GLU 10 12.468 -6.752 -3.414
54 HA GLU 10 HA GLU 10 12.911 -4.116 -4.387
55 HB2 GLU 10 HB2 GLU 10 10.662 -3.654 -3.599
56 HB3 GLU 10 HB3 GLU 10 10.692 -5.243 -4.363
57 HG2 GLU 10 HG2 GLU 10 11.267 -5.995 -1.853
58 HG3 GLU 10 HG3 GLU 10 10.363 -4.527 -1.488
59 H ILE 11 H ILE 11 12.745 -5.525 -1.149
60 HA ILE 11 HA ILE 11 13.096 -2.994 0.181
61 HB ILE 11 HB ILE 11 13.578 -4.579 2.175
62 HG12 ILE 11 HG12 ILE 11 12.315 -6.595 0.315
63 HG13 ILE 11 HG13 ILE 11 14.066 -6.487 0.499
64 HG21 ILE 11 HG21 ILE 11 11.159 -5.062 2.387
65 HG22 ILE 11 HG22 ILE 11 10.940 -4.680 0.680
66 HG23 ILE 11 HG23 ILE 11 11.438 -3.421 1.808
67 HD11 ILE 11 HD11 ILE 11 13.060 -8.168 2.036
68 HD12 ILE 11 HD12 ILE 11 12.113 -6.882 2.785
69 HD13 ILE 11 HD13 ILE 11 13.873 -6.867 2.905
70 H THR 12 H THR 12 15.070 -3.068 -1.653
71 HA THR 12 HA THR 12 17.504 -3.669 -0.078
72 HB THR 12 HB THR 12 18.670 -3.817 -2.282
73 HG1 THR 12 HG1 THR 12 17.053 -2.583 -3.404
74 HG21 THR 12 HG21 THR 12 18.060 -5.894 -1.291
75 HG22 THR 12 HG22 THR 12 17.517 -5.996 -2.966
76 HG23 THR 12 HG23 THR 12 16.356 -5.662 -1.680
77 H THR 13 H THR 13 15.717 -1.318 -1.919
78 HA THR 13 HA THR 13 17.687 0.605 -2.393
79 HB THR 13 HB THR 13 15.887 1.570 -3.317
80 HG1 THR 13 HG1 THR 13 14.379 2.005 -1.107
81 HG21 THR 13 HG21 THR 13 14.727 -0.549 -3.256
82 HG22 THR 13 HG22 THR 13 13.579 0.707 -2.791
83 HG23 THR 13 HG23 THR 13 14.307 -0.323 -1.558
84 H LYS 14 H LYS 14 15.848 -0.135 0.523
85 HA LYS 14 HA LYS 14 16.761 2.165 1.979
86 HB2 LYS 14 HB2 LYS 14 14.675 0.646 2.412
87 HB3 LYS 14 HB3 LYS 14 15.817 -0.363 3.299
88 HG2 LYS 14 HG2 LYS 14 16.380 1.428 4.790
89 HG3 LYS 14 HG3 LYS 14 15.535 2.609 3.788
90 HD2 LYS 14 HD2 LYS 14 13.391 1.441 4.257
91 HD3 LYS 14 HD3 LYS 14 14.253 0.326 5.317
92 HE2 LYS 14 HE2 LYS 14 14.015 1.794 7.003
93 HE3 LYS 14 HE3 LYS 14 15.012 2.941 6.109
94 HZ1 LYS 14 HZ1 LYS 14 12.233 3.021 6.609
95 HZ2 LYS 14 HZ2 LYS 14 12.506 2.988 4.934
96 HZ3 LYS 14 HZ3 LYS 14 13.219 4.198 5.889
97 H ASP 15 H ASP 15 17.781 -1.188 1.642
98 HA ASP 15 HA ASP 15 19.726 -1.224 3.698
99 HB2 ASP 15 HB2 ASP 15 19.084 -2.838 1.308
100 HB3 ASP 15 HB3 ASP 15 20.758 -2.919 1.855
101 H LEU 16 H LEU 16 19.701 -0.086 0.407
102 HA LEU 16 HA LEU 16 22.419 0.226 -0.117
103 HB2 LEU 16 HB2 LEU 16 19.933 1.133 -1.215
104 HB3 LEU 16 HB3 LEU 16 21.035 2.507 -1.122
105 HG LEU 16 HG LEU 16 21.882 -0.165 -2.260
106 HD11 LEU 16 HD11 LEU 16 20.206 0.388 -3.784
107 HD12 LEU 16 HD12 LEU 16 21.590 1.230 -4.481
108 HD13 LEU 16 HD13 LEU 16 20.404 2.122 -3.527
109 HD21 LEU 16 HD21 LEU 16 23.869 0.866 -2.582
110 HD22 LEU 16 HD22 LEU 16 23.268 2.167 -1.556
111 HD23 LEU 16 HD23 LEU 16 23.091 2.272 -3.307
112 H LYS 17 H LYS 17 20.250 1.996 1.930
113 HA LYS 17 HA LYS 17 21.745 4.368 2.282
114 HB2 LYS 17 HB2 LYS 17 19.942 3.020 4.304
115 HB3 LYS 17 HB3 LYS 17 20.381 4.727 4.251
116 HG2 LYS 17 HG2 LYS 17 19.120 3.509 1.822
117 HG3 LYS 17 HG3 LYS 17 18.090 3.881 3.204
118 HD2 LYS 17 HD2 LYS 17 19.949 6.054 2.573
119 HD3 LYS 17 HD3 LYS 17 18.857 5.681 1.241
120 HE2 LYS 17 HE2 LYS 17 16.924 6.045 2.584
121 HE3 LYS 17 HE3 LYS 17 17.866 6.035 4.074
122 HZ1 LYS 17 HZ1 LYS 17 18.751 7.996 2.172
123 HZ2 LYS 17 HZ2 LYS 17 18.407 8.166 3.828
124 HZ3 LYS 17 HZ3 LYS 17 17.154 8.243 2.683
125 H GLU 18 H GLU 18 21.939 1.199 3.776
126 HA GLU 18 HA GLU 18 23.654 1.925 5.922
127 HB2 GLU 18 HB2 GLU 18 22.277 -0.306 5.365
128 HB3 GLU 18 HB3 GLU 18 23.852 -0.798 4.740
129 HG2 GLU 18 HG2 GLU 18 23.960 -1.455 6.991
130 HG3 GLU 18 HG3 GLU 18 24.772 0.110 7.001
131 H LYS 19 H LYS 19 24.318 0.404 2.779
132 HA LYS 19 HA LYS 19 27.134 0.420 3.053
133 HB2 LYS 19 HB2 LYS 19 25.196 0.017 0.836
134 HB3 LYS 19 HB3 LYS 19 26.848 0.442 0.387
135 HG2 LYS 19 HG2 LYS 19 27.726 -1.519 1.203
136 HG3 LYS 19 HG3 LYS 19 26.517 -1.651 2.481
137 HD2 LYS 19 HD2 LYS 19 24.810 -2.219 0.746
138 HD3 LYS 19 HD3 LYS 19 26.091 -2.210 -0.467
139 HE2 LYS 19 HE2 LYS 19 26.607 -3.854 1.950
140 HE3 LYS 19 HE3 LYS 19 25.343 -4.444 0.873
141 HZ1 LYS 19 HZ1 LYS 19 26.926 -4.226 -0.977
142 HZ2 LYS 19 HZ2 LYS 19 27.450 -5.335 0.198
143 HZ3 LYS 19 HZ3 LYS 19 28.137 -3.782 0.122
144 H LYS 20 H LYS 20 24.825 2.760 1.784
145 HA LYS 20 HA LYS 20 26.693 4.516 0.586
146 HB2 LYS 20 HB2 LYS 20 24.106 4.474 0.394
147 HB3 LYS 20 HB3 LYS 20 24.135 5.455 1.861
148 HG2 LYS 20 HG2 LYS 20 24.131 7.028 0.079
149 HG3 LYS 20 HG3 LYS 20 25.808 6.964 0.623
150 HD2 LYS 20 HD2 LYS 20 26.385 6.474 -1.499
151 HD3 LYS 20 HD3 LYS 20 25.590 4.915 -1.281
152 HE2 LYS 20 HE2 LYS 20 24.105 7.418 -2.114
153 HE3 LYS 20 HE3 LYS 20 24.772 6.264 -3.271
154 HZ1 LYS 20 HZ1 LYS 20 22.594 5.891 -1.324
155 HZ2 LYS 20 HZ2 LYS 20 23.485 4.550 -1.867
156 HZ3 LYS 20 HZ3 LYS 20 22.629 5.511 -2.976
157 H GLU 21 H GLU 21 25.495 4.163 3.882
158 HA GLU 21 HA GLU 21 26.413 6.562 4.988
159 HB2 GLU 21 HB2 GLU 21 25.232 4.248 5.954
160 HB3 GLU 21 HB3 GLU 21 26.817 4.249 6.729
161 HG2 GLU 21 HG2 GLU 21 25.426 5.507 8.186
162 HG3 GLU 21 HG3 GLU 21 26.363 6.709 7.299
163 H VAL 22 H VAL 22 28.089 3.526 4.351
164 HA VAL 22 HA VAL 22 30.505 4.061 5.666
165 HB VAL 22 HB VAL 22 30.328 2.548 3.068
166 HG11 VAL 22 HG11 VAL 22 32.541 2.631 3.932
167 HG12 VAL 22 HG12 VAL 22 31.914 1.062 4.440
168 HG13 VAL 22 HG13 VAL 22 31.986 2.398 5.589
169 HG21 VAL 22 HG21 VAL 22 29.353 1.727 5.818
170 HG22 VAL 22 HG22 VAL 22 29.669 0.581 4.516
171 HG23 VAL 22 HG23 VAL 22 28.409 1.800 4.330
172 H VAL 23 H VAL 23 29.237 5.208 2.624
173 HA VAL 23 HA VAL 23 31.516 5.972 1.260
174 HB VAL 23 HB VAL 23 29.028 6.233 0.605
175 HG11 VAL 23 HG11 VAL 23 27.912 8.195 1.195
176 HG12 VAL 23 HG12 VAL 23 29.407 9.052 1.563
177 HG13 VAL 23 HG13 VAL 23 28.789 7.840 2.684
178 HG21 VAL 23 HG21 VAL 23 31.380 7.915 -0.071
179 HG22 VAL 23 HG22 VAL 23 29.818 8.518 -0.626
180 HG23 VAL 23 HG23 VAL 23 30.372 6.918 -1.120
181 H GLU 24 H GLU 24 29.954 7.540 4.001
182 HA GLU 24 HA GLU 24 31.257 9.990 4.014
183 HB2 GLU 24 HB2 GLU 24 30.531 8.233 6.368
184 HB3 GLU 24 HB3 GLU 24 30.962 9.940 6.478
185 HG2 GLU 24 HG2 GLU 24 29.061 10.203 4.653
186 HG3 GLU 24 HG3 GLU 24 28.499 8.677 5.333
187 H GLU 25 H GLU 25 32.374 6.833 5.092
188 HA GLU 25 HA GLU 25 34.736 7.589 6.387
189 HB2 GLU 25 HB2 GLU 25 34.218 5.100 4.739
190 HB3 GLU 25 HB3 GLU 25 35.502 5.301 5.933
191 HG2 GLU 25 HG2 GLU 25 33.676 5.823 7.630
192 HG3 GLU 25 HG3 GLU 25 32.516 5.276 6.419
193 H ALA 26 H ALA 26 33.842 7.869 3.130
194 HA ALA 26 HA ALA 26 36.191 7.468 1.705
195 HB1 ALA 26 HB1 ALA 26 34.094 8.021 0.595
196 HB2 ALA 26 HB2 ALA 26 35.334 9.187 0.131
197 HB3 ALA 26 HB3 ALA 26 34.108 9.630 1.318
198 H GLU 27 H GLU 27 35.302 10.091 3.848
199 HA GLU 27 HA GLU 27 37.275 11.962 3.098
200 HB2 GLU 27 HB2 GLU 27 35.231 11.839 4.986
201 HB3 GLU 27 HB3 GLU 27 36.702 11.972 5.951
202 HG2 GLU 27 HG2 GLU 27 36.128 14.216 5.505
203 HG3 GLU 27 HG3 GLU 27 37.369 13.857 4.306
204 H ASN 28 H ASN 28 37.682 8.900 4.335
205 HA ASN 28 HA ASN 28 39.353 7.843 5.546
206 HB2 ASN 28 HB2 ASN 28 41.223 7.793 4.258
207 HB3 ASN 28 HB3 ASN 28 40.258 8.786 3.170
208 HD21 ASN 28 HD21 ASN 28 43.283 8.749 3.854
209 HD22 ASN 28 HD22 ASN 28 43.631 10.375 4.195
Start of MODEL 13
1 H1 ACE 0 H1 ACE 0 -0.616 -18.259 1.103
2 H2 ACE 0 H2 ACE 0 -0.152 -19.236 2.497
3 H3 ACE 0 H3 ACE 0 0.522 -19.592 0.906
4 H SER 1 H SER 1 1.885 -17.884 -0.083
5 HA SER 1 HA SER 1 2.946 -15.785 1.566
6 HB2 SER 1 HB2 SER 1 4.106 -18.376 1.831
7 HB3 SER 1 HB3 SER 1 5.261 -17.345 0.991
8 HG SER 1 HG SER 1 3.867 -16.407 3.251
9 H ASP 2 H ASP 2 2.339 -17.229 -1.350
10 HA ASP 2 HA ASP 2 4.434 -16.483 -3.028
11 HB2 ASP 2 HB2 ASP 2 1.529 -16.268 -3.809
12 HB3 ASP 2 HB3 ASP 2 2.904 -16.684 -4.829
13 H ALA 3 H ALA 3 1.742 -14.566 -1.774
14 HA ALA 3 HA ALA 3 2.090 -12.270 -3.354
15 HB1 ALA 3 HB1 ALA 3 0.312 -12.988 -1.447
16 HB2 ALA 3 HB2 ALA 3 0.507 -11.332 -2.020
17 HB3 ALA 3 HB3 ALA 3 1.301 -11.849 -0.533
18 H ALA 4 H ALA 4 4.087 -13.594 -0.930
19 HA ALA 4 HA ALA 4 5.237 -11.315 0.228
20 HB1 ALA 4 HB1 ALA 4 6.728 -13.856 -0.440
21 HB2 ALA 4 HB2 ALA 4 5.597 -13.731 0.907
22 HB3 ALA 4 HB3 ALA 4 7.049 -12.730 0.880
23 H VAL 5 H VAL 5 5.502 -12.579 -2.960
24 HA VAL 5 HA VAL 5 8.025 -11.624 -3.718
25 HB VAL 5 HB VAL 5 7.011 -11.574 -6.040
26 HG11 VAL 5 HG11 VAL 5 7.954 -13.623 -4.657
27 HG12 VAL 5 HG12 VAL 5 7.152 -13.889 -6.205
28 HG13 VAL 5 HG13 VAL 5 6.273 -14.152 -4.701
29 HG21 VAL 5 HG21 VAL 5 4.664 -13.007 -5.616
30 HG22 VAL 5 HG22 VAL 5 4.763 -11.311 -6.086
31 HG23 VAL 5 HG23 VAL 5 4.602 -11.747 -4.384
32 H ASP 6 H ASP 6 4.858 -10.043 -3.595
33 HA ASP 6 HA ASP 6 5.605 -7.642 -4.879
34 HB2 ASP 6 HB2 ASP 6 3.359 -8.602 -3.283
35 HB3 ASP 6 HB3 ASP 6 3.723 -6.905 -2.976
36 H THR 7 H THR 7 5.738 -8.691 -1.515
37 HA THR 7 HA THR 7 6.651 -6.248 -0.412
38 HB THR 7 HB THR 7 7.369 -7.603 1.508
39 HG1 THR 7 HG1 THR 7 6.535 -9.989 0.716
40 HG21 THR 7 HG21 THR 7 5.217 -8.447 2.107
41 HG22 THR 7 HG22 THR 7 4.784 -8.731 0.421
42 HG23 THR 7 HG23 THR 7 4.922 -7.081 1.030
43 H SER 8 H SER 8 8.247 -8.996 -1.914
44 HA SER 8 HA SER 8 10.888 -8.628 -1.281
45 HB2 SER 8 HB2 SER 8 9.513 -10.088 -3.178
46 HB3 SER 8 HB3 SER 8 10.513 -9.021 -4.158
47 HG SER 8 HG SER 8 12.119 -10.254 -3.639
48 H SER 9 H SER 9 8.843 -6.417 -2.879
49 HA SER 9 HA SER 9 10.460 -5.007 -4.604
50 HB2 SER 9 HB2 SER 9 8.149 -4.347 -2.896
51 HB3 SER 9 HB3 SER 9 9.143 -2.970 -3.364
52 HG SER 9 HG SER 9 8.381 -4.918 -5.252
53 H GLU 10 H GLU 10 10.867 -5.430 -1.238
54 HA GLU 10 HA GLU 10 12.302 -3.040 -0.646
55 HB2 GLU 10 HB2 GLU 10 11.417 -5.337 0.767
56 HB3 GLU 10 HB3 GLU 10 13.158 -5.217 1.013
57 HG2 GLU 10 HG2 GLU 10 12.918 -2.880 1.723
58 HG3 GLU 10 HG3 GLU 10 11.182 -2.956 1.431
59 H ILE 11 H ILE 11 13.201 -6.198 -1.891
60 HA ILE 11 HA ILE 11 15.323 -7.094 -2.314
61 HB ILE 11 HB ILE 11 16.431 -5.310 -4.006
62 HG12 ILE 11 HG12 ILE 11 13.485 -4.587 -3.858
63 HG13 ILE 11 HG13 ILE 11 14.814 -3.542 -3.353
64 HG21 ILE 11 HG21 ILE 11 13.900 -6.874 -4.595
65 HG22 ILE 11 HG22 ILE 11 15.514 -7.581 -4.512
66 HG23 ILE 11 HG23 ILE 11 15.133 -6.395 -5.761
67 HD11 ILE 11 HD11 ILE 11 14.699 -2.762 -5.491
68 HD12 ILE 11 HD12 ILE 11 13.865 -4.202 -6.073
69 HD13 ILE 11 HD13 ILE 11 15.618 -4.217 -5.874
70 H THR 12 H THR 12 16.767 -4.047 -2.912
71 HA THR 12 HA THR 12 17.988 -3.845 -0.268
72 HB THR 12 HB THR 12 20.066 -4.573 -0.798
73 HG1 THR 12 HG1 THR 12 19.581 -3.496 -3.373
74 HG21 THR 12 HG21 THR 12 20.092 -6.330 -2.530
75 HG22 THR 12 HG22 THR 12 18.557 -5.731 -3.157
76 HG23 THR 12 HG23 THR 12 18.635 -6.432 -1.541
77 H THR 13 H THR 13 16.265 -2.069 -1.499
78 HA THR 13 HA THR 13 17.849 0.026 -2.757
79 HB THR 13 HB THR 13 14.924 -0.222 -2.055
80 HG1 THR 13 HG1 THR 13 15.964 -1.268 -3.936
81 HG21 THR 13 HG21 THR 13 15.493 2.099 -1.730
82 HG22 THR 13 HG22 THR 13 14.703 1.957 -3.301
83 HG23 THR 13 HG23 THR 13 16.457 2.119 -3.207
84 H LYS 14 H LYS 14 15.892 -0.350 0.197
85 HA LYS 14 HA LYS 14 16.739 2.167 1.283
86 HB2 LYS 14 HB2 LYS 14 14.585 1.221 1.920
87 HB3 LYS 14 HB3 LYS 14 15.380 -0.212 2.575
88 HG2 LYS 14 HG2 LYS 14 16.240 0.936 4.409
89 HG3 LYS 14 HG3 LYS 14 16.190 2.495 3.583
90 HD2 LYS 14 HD2 LYS 14 13.766 2.563 3.743
91 HD3 LYS 14 HD3 LYS 14 13.728 0.935 4.419
92 HE2 LYS 14 HE2 LYS 14 14.174 3.465 5.769
93 HE3 LYS 14 HE3 LYS 14 13.870 1.873 6.463
94 HZ1 LYS 14 HZ1 LYS 14 16.141 3.094 6.824
95 HZ2 LYS 14 HZ2 LYS 14 16.509 2.408 5.314
96 HZ3 LYS 14 HZ3 LYS 14 16.079 1.411 6.622
97 H ASP 15 H ASP 15 17.802 -1.158 1.503
98 HA ASP 15 HA ASP 15 19.484 -0.941 3.761
99 HB2 ASP 15 HB2 ASP 15 19.226 -2.766 1.436
100 HB3 ASP 15 HB3 ASP 15 20.763 -2.785 2.297
101 H LEU 16 H LEU 16 19.889 -0.138 0.378
102 HA LEU 16 HA LEU 16 22.649 0.179 0.212
103 HB2 LEU 16 HB2 LEU 16 20.701 0.495 -1.556
104 HB3 LEU 16 HB3 LEU 16 20.858 2.189 -1.091
105 HG LEU 16 HG LEU 16 23.381 1.896 -1.471
106 HD11 LEU 16 HD11 LEU 16 24.186 -0.077 -2.224
107 HD12 LEU 16 HD12 LEU 16 22.909 -0.218 -3.433
108 HD13 LEU 16 HD13 LEU 16 22.625 -0.768 -1.780
109 HD21 LEU 16 HD21 LEU 16 21.995 3.154 -3.033
110 HD22 LEU 16 HD22 LEU 16 21.423 1.661 -3.778
111 HD23 LEU 16 HD23 LEU 16 23.111 2.144 -3.952
112 H LYS 17 H LYS 17 20.212 2.132 1.741
113 HA LYS 17 HA LYS 17 21.621 4.556 1.994
114 HB2 LYS 17 HB2 LYS 17 19.153 3.999 2.578
115 HB3 LYS 17 HB3 LYS 17 19.800 3.542 4.155
116 HG2 LYS 17 HG2 LYS 17 20.887 5.785 4.316
117 HG3 LYS 17 HG3 LYS 17 20.111 6.235 2.796
118 HD2 LYS 17 HD2 LYS 17 18.562 7.057 4.318
119 HD3 LYS 17 HD3 LYS 17 17.921 5.434 4.053
120 HE2 LYS 17 HE2 LYS 17 19.762 5.004 6.053
121 HE3 LYS 17 HE3 LYS 17 19.133 6.599 6.468
122 HZ1 LYS 17 HZ1 LYS 17 17.140 5.764 6.981
123 HZ2 LYS 17 HZ2 LYS 17 17.941 4.269 7.086
124 HZ3 LYS 17 HZ3 LYS 17 17.120 4.697 5.662
125 H GLU 18 H GLU 18 21.465 1.742 4.136
126 HA GLU 18 HA GLU 18 23.195 2.763 6.132
127 HB2 GLU 18 HB2 GLU 18 21.937 0.905 6.811
128 HB3 GLU 18 HB3 GLU 18 22.306 0.001 5.342
129 HG2 GLU 18 HG2 GLU 18 24.609 0.791 7.059
130 HG3 GLU 18 HG3 GLU 18 23.558 -0.490 7.665
131 H LYS 19 H LYS 19 23.738 0.931 3.172
132 HA LYS 19 HA LYS 19 26.540 0.531 3.606
133 HB2 LYS 19 HB2 LYS 19 25.028 -0.815 2.050
134 HB3 LYS 19 HB3 LYS 19 25.133 0.545 0.933
135 HG2 LYS 19 HG2 LYS 19 27.762 -0.193 1.939
136 HG3 LYS 19 HG3 LYS 19 26.966 -1.562 1.162
137 HD2 LYS 19 HD2 LYS 19 26.591 -0.270 -0.859
138 HD3 LYS 19 HD3 LYS 19 27.206 1.190 -0.085
139 HE2 LYS 19 HE2 LYS 19 29.262 0.638 -0.815
140 HE3 LYS 19 HE3 LYS 19 29.216 -0.757 0.261
141 HZ1 LYS 19 HZ1 LYS 19 29.001 -0.658 -2.579
142 HZ2 LYS 19 HZ2 LYS 19 27.686 -1.482 -1.887
143 HZ3 LYS 19 HZ3 LYS 19 29.276 -1.990 -1.567
144 H LYS 20 H LYS 20 24.571 2.940 1.941
145 HA LYS 20 HA LYS 20 26.669 4.332 0.658
146 HB2 LYS 20 HB2 LYS 20 24.206 4.597 0.191
147 HB3 LYS 20 HB3 LYS 20 24.085 5.519 1.690
148 HG2 LYS 20 HG2 LYS 20 25.590 7.204 0.874
149 HG3 LYS 20 HG3 LYS 20 26.019 6.224 -0.529
150 HD2 LYS 20 HD2 LYS 20 24.367 7.251 -1.662
151 HD3 LYS 20 HD3 LYS 20 23.215 6.434 -0.604
152 HE2 LYS 20 HE2 LYS 20 24.568 9.024 0.173
153 HE3 LYS 20 HE3 LYS 20 23.031 8.982 -0.691
154 HZ1 LYS 20 HZ1 LYS 20 22.802 9.114 1.753
155 HZ2 LYS 20 HZ2 LYS 20 23.537 7.588 1.880
156 HZ3 LYS 20 HZ3 LYS 20 22.045 7.753 1.081
157 H GLU 21 H GLU 21 25.361 4.437 3.913
158 HA GLU 21 HA GLU 21 26.525 6.850 4.786
159 HB2 GLU 21 HB2 GLU 21 25.681 4.325 6.195
160 HB3 GLU 21 HB3 GLU 21 26.446 5.648 7.076
161 HG2 GLU 21 HG2 GLU 21 24.650 7.133 5.863
162 HG3 GLU 21 HG3 GLU 21 23.797 5.604 5.661
163 H VAL 22 H VAL 22 27.795 3.586 4.472
164 HA VAL 22 HA VAL 22 30.158 3.852 5.952
165 HB VAL 22 HB VAL 22 29.679 2.258 3.419
166 HG11 VAL 22 HG11 VAL 22 31.496 0.834 4.760
167 HG12 VAL 22 HG12 VAL 22 31.923 2.427 5.386
168 HG13 VAL 22 HG13 VAL 22 31.973 2.120 3.650
169 HG21 VAL 22 HG21 VAL 22 29.399 0.402 5.171
170 HG22 VAL 22 HG22 VAL 22 28.082 1.570 5.056
171 HG23 VAL 22 HG23 VAL 22 29.260 1.695 6.363
172 H VAL 23 H VAL 23 29.220 5.144 2.879
173 HA VAL 23 HA VAL 23 31.624 5.601 1.592
174 HB VAL 23 HB VAL 23 29.188 6.230 0.914
175 HG11 VAL 23 HG11 VAL 23 30.098 8.860 2.113
176 HG12 VAL 23 HG12 VAL 23 28.941 7.782 2.895
177 HG13 VAL 23 HG13 VAL 23 28.550 8.517 1.340
178 HG21 VAL 23 HG21 VAL 23 30.421 6.845 -0.872
179 HG22 VAL 23 HG22 VAL 23 31.799 7.251 0.151
180 HG23 VAL 23 HG23 VAL 23 30.543 8.451 -0.156
181 H GLU 24 H GLU 24 30.579 6.805 4.610
182 HA GLU 24 HA GLU 24 31.764 9.290 4.847
183 HB2 GLU 24 HB2 GLU 24 31.181 7.060 6.711
184 HB3 GLU 24 HB3 GLU 24 32.360 8.249 7.265
185 HG2 GLU 24 HG2 GLU 24 30.694 10.048 6.619
186 HG3 GLU 24 HG3 GLU 24 29.513 8.762 6.374
187 H GLU 25 H GLU 25 33.251 6.100 4.922
188 HA GLU 25 HA GLU 25 35.819 6.788 5.778
189 HB2 GLU 25 HB2 GLU 25 34.569 4.491 4.762
190 HB3 GLU 25 HB3 GLU 25 35.903 4.814 3.655
191 HG2 GLU 25 HG2 GLU 25 37.390 5.075 5.695
192 HG3 GLU 25 HG3 GLU 25 36.050 4.454 6.658
193 H ALA 26 H ALA 26 34.132 7.682 2.979
194 HA ALA 26 HA ALA 26 36.223 7.935 1.098
195 HB1 ALA 26 HB1 ALA 26 34.742 9.438 -0.088
196 HB2 ALA 26 HB2 ALA 26 33.777 9.696 1.363
197 HB3 ALA 26 HB3 ALA 26 33.784 8.117 0.578
198 H GLU 27 H GLU 27 35.238 9.908 3.815
199 HA GLU 27 HA GLU 27 36.669 12.269 3.095
200 HB2 GLU 27 HB2 GLU 27 35.527 11.188 5.662
201 HB3 GLU 27 HB3 GLU 27 36.550 12.622 5.681
202 HG2 GLU 27 HG2 GLU 27 34.844 13.249 3.640
203 HG3 GLU 27 HG3 GLU 27 33.789 12.287 4.672
204 H ASN 28 H ASN 28 37.517 9.291 4.732
205 HA ASN 28 HA ASN 28 39.542 8.427 5.386
206 HB2 ASN 28 HB2 ASN 28 40.726 10.681 3.753
207 HB3 ASN 28 HB3 ASN 28 41.542 9.203 4.257
208 HD21 ASN 28 HD21 ASN 28 39.762 10.603 1.717
209 HD22 ASN 28 HD22 ASN 28 39.381 9.176 0.880
Start of MODEL 14
1 H1 ACE 0 H1 ACE 0 0.930 -17.192 -6.702
2 H2 ACE 0 H2 ACE 0 2.234 -17.053 -7.883
3 H3 ACE 0 H3 ACE 0 1.265 -15.638 -7.467
4 H SER 1 H SER 1 4.067 -17.414 -6.760
5 HA SER 1 HA SER 1 4.574 -15.728 -4.392
6 HB2 SER 1 HB2 SER 1 5.191 -17.488 -3.100
7 HB3 SER 1 HB3 SER 1 4.168 -18.407 -4.201
8 HG SER 1 HG SER 1 6.508 -19.044 -3.812
9 H ASP 2 H ASP 2 6.190 -17.910 -6.676
10 HA ASP 2 HA ASP 2 8.770 -16.944 -6.472
11 HB2 ASP 2 HB2 ASP 2 7.495 -17.780 -9.081
12 HB3 ASP 2 HB3 ASP 2 9.193 -17.911 -8.618
13 H ALA 3 H ALA 3 6.047 -15.644 -8.287
14 HA ALA 3 HA ALA 3 7.358 -13.753 -9.862
15 HB1 ALA 3 HB1 ALA 3 5.273 -12.773 -10.187
16 HB2 ALA 3 HB2 ALA 3 4.761 -13.074 -8.526
17 HB3 ALA 3 HB3 ALA 3 4.820 -14.401 -9.686
18 H ALA 4 H ALA 4 6.490 -13.704 -6.460
19 HA ALA 4 HA ALA 4 6.937 -10.980 -5.917
20 HB1 ALA 4 HB1 ALA 4 5.891 -12.645 -4.353
21 HB2 ALA 4 HB2 ALA 4 7.127 -11.636 -3.603
22 HB3 ALA 4 HB3 ALA 4 7.502 -13.298 -4.058
23 H VAL 5 H VAL 5 9.097 -13.434 -6.822
24 HA VAL 5 HA VAL 5 11.448 -12.770 -5.484
25 HB VAL 5 HB VAL 5 11.031 -13.833 -8.284
26 HG11 VAL 5 HG11 VAL 5 13.472 -14.701 -7.668
27 HG12 VAL 5 HG12 VAL 5 13.489 -13.234 -6.689
28 HG13 VAL 5 HG13 VAL 5 13.229 -13.130 -8.431
29 HG21 VAL 5 HG21 VAL 5 10.345 -15.050 -6.006
30 HG22 VAL 5 HG22 VAL 5 12.068 -15.427 -5.977
31 HG23 VAL 5 HG23 VAL 5 11.075 -15.944 -7.340
32 H ASP 6 H ASP 6 9.981 -11.354 -8.383
33 HA ASP 6 HA ASP 6 12.147 -9.702 -9.109
34 HB2 ASP 6 HB2 ASP 6 9.778 -10.195 -10.251
35 HB3 ASP 6 HB3 ASP 6 9.375 -8.672 -9.459
36 H THR 7 H THR 7 9.446 -9.246 -6.889
37 HA THR 7 HA THR 7 10.012 -6.559 -6.181
38 HB THR 7 HB THR 7 8.548 -6.916 -4.292
39 HG1 THR 7 HG1 THR 7 8.203 -9.605 -4.769
40 HG21 THR 7 HG21 THR 7 6.963 -6.818 -5.893
41 HG22 THR 7 HG22 THR 7 6.858 -8.573 -5.744
42 HG23 THR 7 HG23 THR 7 7.892 -7.853 -6.978
43 H SER 8 H SER 8 11.123 -9.686 -4.992
44 HA SER 8 HA SER 8 12.367 -9.018 -2.628
45 HB2 SER 8 HB2 SER 8 13.415 -11.039 -2.790
46 HB3 SER 8 HB3 SER 8 12.277 -11.257 -4.117
47 HG SER 8 HG SER 8 15.017 -10.757 -4.146
48 H SER 9 H SER 9 13.141 -7.882 -5.759
49 HA SER 9 HA SER 9 15.915 -7.357 -5.390
50 HB2 SER 9 HB2 SER 9 14.925 -7.390 -7.620
51 HB3 SER 9 HB3 SER 9 13.889 -6.027 -7.206
52 HG SER 9 HG SER 9 15.617 -5.121 -8.177
53 H GLU 10 H GLU 10 12.976 -5.595 -4.606
54 HA GLU 10 HA GLU 10 14.234 -3.108 -4.019
55 HB2 GLU 10 HB2 GLU 10 11.562 -4.257 -3.835
56 HB3 GLU 10 HB3 GLU 10 11.934 -3.214 -2.461
57 HG2 GLU 10 HG2 GLU 10 12.302 -1.337 -3.820
58 HG3 GLU 10 HG3 GLU 10 12.572 -2.315 -5.261
59 H ILE 11 H ILE 11 14.257 -6.090 -2.413
60 HA ILE 11 HA ILE 11 14.285 -5.231 0.291
61 HB ILE 11 HB ILE 11 14.034 -7.623 -0.683
62 HG12 ILE 11 HG12 ILE 11 15.617 -6.847 1.769
63 HG13 ILE 11 HG13 ILE 11 13.928 -7.342 1.668
64 HG21 ILE 11 HG21 ILE 11 16.973 -7.831 -0.159
65 HG22 ILE 11 HG22 ILE 11 16.449 -7.245 -1.738
66 HG23 ILE 11 HG23 ILE 11 15.941 -8.837 -1.176
67 HD11 ILE 11 HD11 ILE 11 15.223 -9.197 2.551
68 HD12 ILE 11 HD12 ILE 11 16.356 -9.096 1.205
69 HD13 ILE 11 HD13 ILE 11 14.692 -9.608 0.920
70 H THR 12 H THR 12 16.061 -3.756 -1.658
71 HA THR 12 HA THR 12 18.483 -3.864 0.020
72 HB THR 12 HB THR 12 19.799 -3.371 -2.119
73 HG1 THR 12 HG1 THR 12 17.537 -3.180 -3.178
74 HG21 THR 12 HG21 THR 12 19.911 -5.529 -0.952
75 HG22 THR 12 HG22 THR 12 19.938 -5.771 -2.698
76 HG23 THR 12 HG23 THR 12 18.456 -6.070 -1.789
77 H THR 13 H THR 13 15.999 -2.041 -1.294
78 HA THR 13 HA THR 13 17.119 0.391 -1.982
79 HB THR 13 HB THR 13 14.745 0.080 -2.198
80 HG1 THR 13 HG1 THR 13 14.765 1.877 -0.078
81 HG21 THR 13 HG21 THR 13 13.374 -0.708 -0.550
82 HG22 THR 13 HG22 THR 13 14.211 0.188 0.717
83 HG23 THR 13 HG23 THR 13 14.887 -1.323 0.113
84 H LYS 14 H LYS 14 16.361 -0.860 1.240
85 HA LYS 14 HA LYS 14 17.300 1.484 2.600
86 HB2 LYS 14 HB2 LYS 14 17.205 -0.062 4.617
87 HB3 LYS 14 HB3 LYS 14 15.686 0.154 3.749
88 HG2 LYS 14 HG2 LYS 14 16.931 -1.981 2.440
89 HG3 LYS 14 HG3 LYS 14 17.249 -2.271 4.151
90 HD2 LYS 14 HD2 LYS 14 14.927 -2.261 4.689
91 HD3 LYS 14 HD3 LYS 14 14.490 -1.571 3.126
92 HE2 LYS 14 HE2 LYS 14 14.208 -3.656 2.334
93 HE3 LYS 14 HE3 LYS 14 15.933 -3.938 2.566
94 HZ1 LYS 14 HZ1 LYS 14 14.433 -4.091 5.004
95 HZ2 LYS 14 HZ2 LYS 14 15.553 -5.188 4.350
96 HZ3 LYS 14 HZ3 LYS 14 13.928 -5.235 3.857
97 H ASP 15 H ASP 15 18.657 -1.634 1.696
98 HA ASP 15 HA ASP 15 21.024 -1.596 3.187
99 HB2 ASP 15 HB2 ASP 15 20.047 -3.357 1.493
100 HB3 ASP 15 HB3 ASP 15 21.045 -2.486 0.330
101 H LEU 16 H LEU 16 20.147 -0.109 0.139
102 HA LEU 16 HA LEU 16 22.600 0.940 -0.663
103 HB2 LEU 16 HB2 LEU 16 19.767 1.399 -1.214
104 HB3 LEU 16 HB3 LEU 16 20.721 2.879 -1.326
105 HG LEU 16 HG LEU 16 21.545 0.295 -2.665
106 HD11 LEU 16 HD11 LEU 16 19.269 1.534 -3.354
107 HD12 LEU 16 HD12 LEU 16 20.350 0.832 -4.558
108 HD13 LEU 16 HD13 LEU 16 20.403 2.563 -4.229
109 HD21 LEU 16 HD21 LEU 16 22.678 2.221 -4.112
110 HD22 LEU 16 HD22 LEU 16 23.433 1.641 -2.627
111 HD23 LEU 16 HD23 LEU 16 22.494 3.134 -2.614
112 H LYS 17 H LYS 17 20.340 1.909 1.798
113 HA LYS 17 HA LYS 17 21.401 4.524 2.252
114 HB2 LYS 17 HB2 LYS 17 19.155 3.276 3.080
115 HB3 LYS 17 HB3 LYS 17 20.156 3.093 4.523
116 HG2 LYS 17 HG2 LYS 17 20.607 5.523 4.511
117 HG3 LYS 17 HG3 LYS 17 19.579 5.701 3.088
118 HD2 LYS 17 HD2 LYS 17 18.036 6.175 4.744
119 HD3 LYS 17 HD3 LYS 17 17.826 4.426 4.632
120 HE2 LYS 17 HE2 LYS 17 19.651 4.256 6.434
121 HE3 LYS 17 HE3 LYS 17 19.407 5.985 6.682
122 HZ1 LYS 17 HZ1 LYS 17 17.341 5.671 7.531
123 HZ2 LYS 17 HZ2 LYS 17 18.033 4.193 8.003
124 HZ3 LYS 17 HZ3 LYS 17 17.042 4.269 6.625
125 H GLU 18 H GLU 18 21.741 1.477 4.027
126 HA GLU 18 HA GLU 18 23.665 2.340 5.871
127 HB2 GLU 18 HB2 GLU 18 23.157 -0.397 4.683
128 HB3 GLU 18 HB3 GLU 18 24.257 -0.100 6.031
129 HG2 GLU 18 HG2 GLU 18 22.503 0.630 7.449
130 HG3 GLU 18 HG3 GLU 18 21.388 0.834 6.099
131 H LYS 19 H LYS 19 23.968 1.079 2.594
132 HA LYS 19 HA LYS 19 26.831 0.946 2.634
133 HB2 LYS 19 HB2 LYS 19 25.190 -0.303 1.073
134 HB3 LYS 19 HB3 LYS 19 25.169 1.192 0.137
135 HG2 LYS 19 HG2 LYS 19 27.039 0.419 -0.871
136 HG3 LYS 19 HG3 LYS 19 27.869 0.789 0.640
137 HD2 LYS 19 HD2 LYS 19 27.093 -1.538 1.429
138 HD3 LYS 19 HD3 LYS 19 26.737 -1.857 -0.269
139 HE2 LYS 19 HE2 LYS 19 28.941 -2.627 -0.067
140 HE3 LYS 19 HE3 LYS 19 29.167 -0.991 -0.685
141 HZ1 LYS 19 HZ1 LYS 19 29.975 -0.258 1.279
142 HZ2 LYS 19 HZ2 LYS 19 30.417 -1.889 1.454
143 HZ3 LYS 19 HZ3 LYS 19 29.015 -1.299 2.210
144 H LYS 20 H LYS 20 24.458 3.402 1.908
145 HA LYS 20 HA LYS 20 26.275 5.150 0.523
146 HB2 LYS 20 HB2 LYS 20 23.815 5.248 0.195
147 HB3 LYS 20 HB3 LYS 20 23.635 5.795 1.863
148 HG2 LYS 20 HG2 LYS 20 24.341 7.900 1.376
149 HG3 LYS 20 HG3 LYS 20 25.607 7.323 0.291
150 HD2 LYS 20 HD2 LYS 20 23.999 8.520 -1.053
151 HD3 LYS 20 HD3 LYS 20 23.799 6.801 -1.398
152 HE2 LYS 20 HE2 LYS 20 21.668 6.852 -0.678
153 HE3 LYS 20 HE3 LYS 20 22.164 7.549 0.865
154 HZ1 LYS 20 HZ1 LYS 20 21.490 8.962 -1.646
155 HZ2 LYS 20 HZ2 LYS 20 22.331 9.721 -0.379
156 HZ3 LYS 20 HZ3 LYS 20 20.761 9.124 -0.123
157 H GLU 21 H GLU 21 25.301 4.634 3.837
158 HA GLU 21 HA GLU 21 26.289 7.043 4.941
159 HB2 GLU 21 HB2 GLU 21 25.434 4.404 5.941
160 HB3 GLU 21 HB3 GLU 21 26.615 5.231 6.958
161 HG2 GLU 21 HG2 GLU 21 25.189 7.245 6.976
162 HG3 GLU 21 HG3 GLU 21 24.006 6.419 5.963
163 H VAL 22 H VAL 22 27.811 3.969 4.126
164 HA VAL 22 HA VAL 22 30.244 4.314 5.486
165 HB VAL 22 HB VAL 22 31.106 2.578 4.147
166 HG11 VAL 22 HG11 VAL 22 29.240 1.786 5.477
167 HG12 VAL 22 HG12 VAL 22 29.177 0.985 3.907
168 HG13 VAL 22 HG13 VAL 22 28.086 2.324 4.257
169 HG21 VAL 22 HG21 VAL 22 30.994 2.973 1.916
170 HG22 VAL 22 HG22 VAL 22 29.504 3.904 2.066
171 HG23 VAL 22 HG23 VAL 22 29.440 2.142 1.988
172 H VAL 23 H VAL 23 28.979 5.924 2.718
173 HA VAL 23 HA VAL 23 31.110 6.621 1.171
174 HB VAL 23 HB VAL 23 28.737 8.176 2.131
175 HG11 VAL 23 HG11 VAL 23 29.510 9.977 0.473
176 HG12 VAL 23 HG12 VAL 23 31.114 9.257 0.607
177 HG13 VAL 23 HG13 VAL 23 30.332 9.941 2.032
178 HG21 VAL 23 HG21 VAL 23 29.775 7.145 -0.522
179 HG22 VAL 23 HG22 VAL 23 28.358 8.187 -0.380
180 HG23 VAL 23 HG23 VAL 23 28.354 6.589 0.365
181 H GLU 24 H GLU 24 30.455 7.655 4.449
182 HA GLU 24 HA GLU 24 32.282 9.781 4.642
183 HB2 GLU 24 HB2 GLU 24 30.682 8.216 6.427
184 HB3 GLU 24 HB3 GLU 24 32.309 8.343 7.093
185 HG2 GLU 24 HG2 GLU 24 32.254 10.743 6.990
186 HG3 GLU 24 HG3 GLU 24 30.758 10.726 6.056
187 H GLU 25 H GLU 25 32.694 6.295 4.904
188 HA GLU 25 HA GLU 25 35.310 6.190 5.883
189 HB2 GLU 25 HB2 GLU 25 33.470 4.330 5.079
190 HB3 GLU 25 HB3 GLU 25 34.667 4.219 3.788
191 HG2 GLU 25 HG2 GLU 25 36.434 4.098 5.634
192 HG3 GLU 25 HG3 GLU 25 35.098 3.845 6.756
193 H ALA 26 H ALA 26 34.098 7.377 2.938
194 HA ALA 26 HA ALA 26 36.359 6.882 1.266
195 HB1 ALA 26 HB1 ALA 26 34.343 9.118 1.026
196 HB2 ALA 26 HB2 ALA 26 34.071 7.478 0.437
197 HB3 ALA 26 HB3 ALA 26 35.361 8.462 -0.257
198 H GLU 27 H GLU 27 35.312 9.682 3.149
199 HA GLU 27 HA GLU 27 37.687 11.190 2.521
200 HB2 GLU 27 HB2 GLU 27 35.393 12.175 2.992
201 HB3 GLU 27 HB3 GLU 27 35.684 11.801 4.691
202 HG2 GLU 27 HG2 GLU 27 36.351 14.113 4.199
203 HG3 GLU 27 HG3 GLU 27 37.761 13.142 4.620
204 H ASN 28 H ASN 28 36.508 9.287 5.236
205 HA ASN 28 HA ASN 28 39.229 9.282 6.340
206 HB2 ASN 28 HB2 ASN 28 38.096 11.057 7.565
207 HB3 ASN 28 HB3 ASN 28 36.747 9.980 7.925
208 HD21 ASN 28 HD21 ASN 28 40.295 9.368 8.066
209 HD22 ASN 28 HD22 ASN 28 40.296 8.920 9.704
Start of MODEL 15
1 H1 ACE 0 H1 ACE 0 35.292 -2.816 -9.474
2 H2 ACE 0 H2 ACE 0 35.991 -3.168 -7.894
3 H3 ACE 0 H3 ACE 0 35.909 -1.502 -8.472
4 H SER 1 H SER 1 34.099 -4.190 -7.153
5 HA SER 1 HA SER 1 32.184 -4.195 -5.866
6 HB2 SER 1 HB2 SER 1 31.732 -1.276 -6.343
7 HB3 SER 1 HB3 SER 1 31.407 -2.239 -4.904
8 HG SER 1 HG SER 1 33.816 -2.490 -4.895
9 H ASP 2 H ASP 2 32.469 -3.397 -9.061
10 HA ASP 2 HA ASP 2 29.995 -2.590 -9.969
11 HB2 ASP 2 HB2 ASP 2 31.926 -4.598 -11.140
12 HB3 ASP 2 HB3 ASP 2 30.498 -4.019 -11.999
13 H ALA 3 H ALA 3 31.008 -5.784 -8.882
14 HA ALA 3 HA ALA 3 28.749 -7.248 -9.680
15 HB1 ALA 3 HB1 ALA 3 31.066 -7.665 -8.027
16 HB2 ALA 3 HB2 ALA 3 30.061 -8.858 -8.848
17 HB3 ALA 3 HB3 ALA 3 29.639 -8.319 -7.223
18 H ALA 4 H ALA 4 29.224 -5.009 -7.052
19 HA ALA 4 HA ALA 4 27.203 -5.827 -5.299
20 HB1 ALA 4 HB1 ALA 4 28.060 -2.993 -5.933
21 HB2 ALA 4 HB2 ALA 4 28.853 -4.063 -4.776
22 HB3 ALA 4 HB3 ALA 4 27.201 -3.519 -4.487
23 H VAL 5 H VAL 5 27.027 -3.817 -8.212
24 HA VAL 5 HA VAL 5 24.335 -3.030 -7.951
25 HB VAL 5 HB VAL 5 25.776 -3.538 -10.558
26 HG11 VAL 5 HG11 VAL 5 23.776 -2.800 -11.322
27 HG12 VAL 5 HG12 VAL 5 24.266 -1.219 -10.711
28 HG13 VAL 5 HG13 VAL 5 23.266 -2.278 -9.716
29 HG21 VAL 5 HG21 VAL 5 26.535 -1.173 -10.358
30 HG22 VAL 5 HG22 VAL 5 27.228 -2.199 -9.102
31 HG23 VAL 5 HG23 VAL 5 25.884 -1.124 -8.719
32 H ASP 6 H ASP 6 25.879 -5.862 -9.387
33 HA ASP 6 HA ASP 6 23.570 -7.025 -10.522
34 HB2 ASP 6 HB2 ASP 6 25.589 -8.013 -11.198
35 HB3 ASP 6 HB3 ASP 6 26.199 -8.121 -9.548
36 H THR 7 H THR 7 25.011 -7.120 -7.322
37 HA THR 7 HA THR 7 23.325 -9.059 -6.155
38 HB THR 7 HB THR 7 24.545 -6.666 -4.758
39 HG1 THR 7 HG1 THR 7 26.414 -7.676 -4.831
40 HG21 THR 7 HG21 THR 7 23.337 -9.263 -3.941
41 HG22 THR 7 HG22 THR 7 23.317 -7.704 -3.116
42 HG23 THR 7 HG23 THR 7 24.756 -8.722 -3.043
43 H SER 8 H SER 8 23.011 -5.610 -6.748
44 HA SER 8 HA SER 8 20.867 -4.901 -5.170
45 HB2 SER 8 HB2 SER 8 21.028 -4.128 -8.081
46 HB3 SER 8 HB3 SER 8 20.394 -3.183 -6.737
47 HG SER 8 HG SER 8 22.341 -2.500 -6.387
48 H SER 9 H SER 9 20.955 -7.307 -7.574
49 HA SER 9 HA SER 9 18.438 -7.343 -8.696
50 HB2 SER 9 HB2 SER 9 18.712 -9.726 -8.964
51 HB3 SER 9 HB3 SER 9 20.292 -8.972 -9.158
52 HG SER 9 HG SER 9 20.581 -10.641 -7.756
53 H GLU 10 H GLU 10 19.436 -8.502 -5.508
54 HA GLU 10 HA GLU 10 16.873 -9.503 -4.743
55 HB2 GLU 10 HB2 GLU 10 19.313 -8.683 -3.165
56 HB3 GLU 10 HB3 GLU 10 17.869 -9.376 -2.425
57 HG2 GLU 10 HG2 GLU 10 18.776 -11.400 -2.858
58 HG3 GLU 10 HG3 GLU 10 18.401 -11.088 -4.552
59 H ILE 11 H ILE 11 17.814 -6.461 -5.419
60 HA ILE 11 HA ILE 11 17.035 -4.363 -4.963
61 HB ILE 11 HB ILE 11 14.798 -4.243 -5.092
62 HG12 ILE 11 HG12 ILE 11 14.582 -6.075 -2.679
63 HG13 ILE 11 HG13 ILE 11 14.575 -4.311 -2.626
64 HG21 ILE 11 HG21 ILE 11 13.760 -6.180 -5.877
65 HG22 ILE 11 HG22 ILE 11 14.608 -7.220 -4.733
66 HG23 ILE 11 HG23 ILE 11 15.468 -6.545 -6.117
67 HD11 ILE 11 HD11 ILE 11 12.326 -4.501 -2.807
68 HD12 ILE 11 HD12 ILE 11 12.425 -6.172 -3.363
69 HD13 ILE 11 HD13 ILE 11 12.637 -4.848 -4.508
70 H THR 12 H THR 12 17.993 -3.175 -3.495
71 HA THR 12 HA THR 12 17.337 -3.510 -0.667
72 HB THR 12 HB THR 12 19.965 -3.225 -0.322
73 HG1 THR 12 HG1 THR 12 20.229 -5.057 -2.306
74 HG21 THR 12 HG21 THR 12 18.490 -5.042 0.556
75 HG22 THR 12 HG22 THR 12 20.081 -5.626 0.069
76 HG23 THR 12 HG23 THR 12 18.686 -5.895 -0.975
77 H THR 13 H THR 13 16.590 -1.515 -2.470
78 HA THR 13 HA THR 13 18.170 0.729 -2.713
79 HB THR 13 HB THR 13 15.857 0.422 -3.644
80 HG1 THR 13 HG1 THR 13 15.945 2.490 -3.894
81 HG21 THR 13 HG21 THR 13 14.952 -0.305 -1.355
82 HG22 THR 13 HG22 THR 13 13.945 0.804 -2.287
83 HG23 THR 13 HG23 THR 13 14.921 1.411 -0.950
84 H LYS 14 H LYS 14 15.977 -0.035 -0.003
85 HA LYS 14 HA LYS 14 16.845 2.221 1.533
86 HB2 LYS 14 HB2 LYS 14 14.598 1.197 1.793
87 HB3 LYS 14 HB3 LYS 14 15.357 -0.258 2.438
88 HG2 LYS 14 HG2 LYS 14 16.502 1.430 4.105
89 HG3 LYS 14 HG3 LYS 14 15.152 2.475 3.667
90 HD2 LYS 14 HD2 LYS 14 14.704 -0.385 4.525
91 HD3 LYS 14 HD3 LYS 14 14.835 0.918 5.705
92 HE2 LYS 14 HE2 LYS 14 12.836 1.865 5.091
93 HE3 LYS 14 HE3 LYS 14 13.005 1.383 3.403
94 HZ1 LYS 14 HZ1 LYS 14 12.684 -0.971 4.283
95 HZ2 LYS 14 HZ2 LYS 14 11.317 0.036 4.223
96 HZ3 LYS 14 HZ3 LYS 14 12.108 -0.241 5.702
97 H ASP 15 H ASP 15 17.774 -1.145 1.297
98 HA ASP 15 HA ASP 15 19.356 -1.224 3.679
99 HB2 ASP 15 HB2 ASP 15 18.727 -2.968 1.461
100 HB3 ASP 15 HB3 ASP 15 20.451 -3.019 1.820
101 H LEU 16 H LEU 16 19.840 -0.306 0.359
102 HA LEU 16 HA LEU 16 22.617 -0.133 0.194
103 HB2 LEU 16 HB2 LEU 16 20.457 0.534 -1.408
104 HB3 LEU 16 HB3 LEU 16 21.204 2.095 -1.072
105 HG LEU 16 HG LEU 16 23.443 0.912 -1.647
106 HD11 LEU 16 HD11 LEU 16 22.887 -1.364 -1.759
107 HD12 LEU 16 HD12 LEU 16 22.914 -0.895 -3.459
108 HD13 LEU 16 HD13 LEU 16 21.375 -1.053 -2.612
109 HD21 LEU 16 HD21 LEU 16 23.001 1.266 -4.115
110 HD22 LEU 16 HD22 LEU 16 22.535 2.623 -3.090
111 HD23 LEU 16 HD23 LEU 16 21.304 1.521 -3.708
112 H LYS 17 H LYS 17 20.261 1.856 1.772
113 HA LYS 17 HA LYS 17 21.611 4.258 2.123
114 HB2 LYS 17 HB2 LYS 17 19.252 3.819 2.783
115 HB3 LYS 17 HB3 LYS 17 19.848 2.870 4.146
116 HG2 LYS 17 HG2 LYS 17 21.212 4.989 4.758
117 HG3 LYS 17 HG3 LYS 17 20.125 5.833 3.656
118 HD2 LYS 17 HD2 LYS 17 18.679 4.076 5.493
119 HD3 LYS 17 HD3 LYS 17 19.624 5.298 6.341
120 HE2 LYS 17 HE2 LYS 17 17.609 5.806 4.134
121 HE3 LYS 17 HE3 LYS 17 17.401 6.183 5.846
122 HZ1 LYS 17 HZ1 LYS 17 18.936 7.567 3.818
123 HZ2 LYS 17 HZ2 LYS 17 19.715 7.401 5.319
124 HZ3 LYS 17 HZ3 LYS 17 18.201 8.167 5.223
125 H GLU 18 H GLU 18 21.714 1.348 4.130
126 HA GLU 18 HA GLU 18 23.431 2.314 6.125
127 HB2 GLU 18 HB2 GLU 18 22.736 -0.409 5.099
128 HB3 GLU 18 HB3 GLU 18 24.063 -0.234 6.249
129 HG2 GLU 18 HG2 GLU 18 22.662 0.223 7.968
130 HG3 GLU 18 HG3 GLU 18 21.676 1.307 6.986
131 H LYS 19 H LYS 19 24.171 0.607 3.106
132 HA LYS 19 HA LYS 19 27.002 0.648 3.517
133 HB2 LYS 19 HB2 LYS 19 25.146 -0.130 1.340
134 HB3 LYS 19 HB3 LYS 19 26.777 0.326 0.848
135 HG2 LYS 19 HG2 LYS 19 27.741 -1.297 2.398
136 HG3 LYS 19 HG3 LYS 19 26.134 -1.710 2.999
137 HD2 LYS 19 HD2 LYS 19 26.481 -1.897 0.064
138 HD3 LYS 19 HD3 LYS 19 27.381 -3.080 1.013
139 HE2 LYS 19 HE2 LYS 19 25.457 -4.043 1.892
140 HE3 LYS 19 HE3 LYS 19 24.504 -2.574 1.685
141 HZ1 LYS 19 HZ1 LYS 19 25.430 -4.408 -0.457
142 HZ2 LYS 19 HZ2 LYS 19 24.650 -2.924 -0.736
143 HZ3 LYS 19 HZ3 LYS 19 23.832 -4.179 0.063
144 H LYS 20 H LYS 20 24.665 2.825 2.138
145 HA LYS 20 HA LYS 20 26.520 4.451 0.692
146 HB2 LYS 20 HB2 LYS 20 24.173 4.479 0.090
147 HB3 LYS 20 HB3 LYS 20 23.726 5.013 1.712
148 HG2 LYS 20 HG2 LYS 20 24.979 7.101 1.391
149 HG3 LYS 20 HG3 LYS 20 25.480 6.567 -0.214
150 HD2 LYS 20 HD2 LYS 20 23.630 7.878 -0.740
151 HD3 LYS 20 HD3 LYS 20 22.888 6.284 -0.603
152 HE2 LYS 20 HE2 LYS 20 21.481 7.284 0.872
153 HE3 LYS 20 HE3 LYS 20 22.829 7.159 2.003
154 HZ1 LYS 20 HZ1 LYS 20 23.412 9.389 0.583
155 HZ2 LYS 20 HZ2 LYS 20 22.684 9.364 2.118
156 HZ3 LYS 20 HZ3 LYS 20 21.725 9.479 0.720
157 H GLU 21 H GLU 21 25.244 4.431 3.972
158 HA GLU 21 HA GLU 21 26.156 7.006 4.744
159 HB2 GLU 21 HB2 GLU 21 24.712 4.948 5.938
160 HB3 GLU 21 HB3 GLU 21 26.194 5.033 6.890
161 HG2 GLU 21 HG2 GLU 21 25.849 7.530 7.047
162 HG3 GLU 21 HG3 GLU 21 24.271 7.297 6.295
163 H VAL 22 H VAL 22 27.644 3.819 4.698
164 HA VAL 22 HA VAL 22 29.942 4.361 6.211
165 HB VAL 22 HB VAL 22 29.691 2.518 3.823
166 HG11 VAL 22 HG11 VAL 22 31.405 1.298 5.485
167 HG12 VAL 22 HG12 VAL 22 31.732 2.967 5.953
168 HG13 VAL 22 HG13 VAL 22 31.949 2.461 4.277
169 HG21 VAL 22 HG21 VAL 22 28.693 0.953 5.192
170 HG22 VAL 22 HG22 VAL 22 28.076 2.415 5.964
171 HG23 VAL 22 HG23 VAL 22 29.471 1.578 6.646
172 H VAL 23 H VAL 23 29.054 5.268 2.977
173 HA VAL 23 HA VAL 23 31.432 5.683 1.688
174 HB VAL 23 HB VAL 23 29.037 6.243 0.919
175 HG11 VAL 23 HG11 VAL 23 28.655 7.852 2.821
176 HG12 VAL 23 HG12 VAL 23 28.318 8.531 1.229
177 HG13 VAL 23 HG13 VAL 23 29.817 8.940 2.061
178 HG21 VAL 23 HG21 VAL 23 31.063 8.369 0.230
179 HG22 VAL 23 HG22 VAL 23 29.897 7.576 -0.828
180 HG23 VAL 23 HG23 VAL 23 31.312 6.692 -0.259
181 H GLU 24 H GLU 24 30.369 7.162 4.586
182 HA GLU 24 HA GLU 24 31.626 9.629 4.589
183 HB2 GLU 24 HB2 GLU 24 31.177 7.595 6.762
184 HB3 GLU 24 HB3 GLU 24 31.986 9.127 7.094
185 HG2 GLU 24 HG2 GLU 24 29.387 9.143 5.595
186 HG3 GLU 24 HG3 GLU 24 29.367 8.944 7.347
187 H GLU 25 H GLU 25 32.998 6.416 5.057
188 HA GLU 25 HA GLU 25 35.560 7.124 5.929
189 HB2 GLU 25 HB2 GLU 25 34.557 4.779 5.714
190 HB3 GLU 25 HB3 GLU 25 35.009 4.858 4.010
191 HG2 GLU 25 HG2 GLU 25 37.361 5.483 4.829
192 HG3 GLU 25 HG3 GLU 25 36.822 4.961 6.424
193 H ALA 26 H ALA 26 33.996 7.736 2.984
194 HA ALA 26 HA ALA 26 36.080 7.678 1.115
195 HB1 ALA 26 HB1 ALA 26 33.753 9.608 1.303
196 HB2 ALA 26 HB2 ALA 26 33.745 8.050 0.477
197 HB3 ALA 26 HB3 ALA 26 34.760 9.361 -0.125
198 H GLU 27 H GLU 27 35.435 9.856 3.736
199 HA GLU 27 HA GLU 27 37.108 11.998 2.783
200 HB2 GLU 27 HB2 GLU 27 36.248 11.498 5.635
201 HB3 GLU 27 HB3 GLU 27 36.694 13.034 4.892
202 HG2 GLU 27 HG2 GLU 27 34.691 13.198 3.708
203 HG3 GLU 27 HG3 GLU 27 34.404 11.460 3.749
204 H ASN 28 H ASN 28 37.567 9.050 4.541
205 HA ASN 28 HA ASN 28 39.394 8.134 5.619
206 HB2 ASN 28 HB2 ASN 28 41.555 8.545 4.320
207 HB3 ASN 28 HB3 ASN 28 40.214 7.847 3.414
208 HD21 ASN 28 HD21 ASN 28 38.851 9.473 2.137
209 HD22 ASN 28 HD22 ASN 28 39.635 10.839 1.505
Start of MODEL 16
1 H1 ACE 0 H1 ACE 0 12.424 19.933 -2.364
2 H2 ACE 0 H2 ACE 0 13.892 20.088 -1.400
3 H3 ACE 0 H3 ACE 0 12.334 19.874 -0.604
4 H SER 1 H SER 1 12.330 18.013 -3.350
5 HA SER 1 HA SER 1 12.415 15.744 -3.720
6 HB2 SER 1 HB2 SER 1 14.468 14.778 -3.388
7 HB3 SER 1 HB3 SER 1 14.917 16.462 -3.134
8 HG SER 1 HG SER 1 14.767 14.366 -1.358
9 H ASP 2 H ASP 2 11.283 17.025 -1.028
10 HA ASP 2 HA ASP 2 11.290 15.105 0.976
11 HB2 ASP 2 HB2 ASP 2 9.405 17.249 0.137
12 HB3 ASP 2 HB3 ASP 2 8.791 16.028 1.250
13 H ALA 3 H ALA 3 9.368 15.277 -1.974
14 HA ALA 3 HA ALA 3 7.542 13.216 -1.427
15 HB1 ALA 3 HB1 ALA 3 6.800 13.924 -3.418
16 HB2 ALA 3 HB2 ALA 3 8.173 13.131 -4.192
17 HB3 ALA 3 HB3 ALA 3 8.299 14.816 -3.685
18 H ALA 4 H ALA 4 10.888 13.141 -2.432
19 HA ALA 4 HA ALA 4 11.216 10.667 -3.540
20 HB1 ALA 4 HB1 ALA 4 13.463 10.681 -2.714
21 HB2 ALA 4 HB2 ALA 4 13.027 11.731 -1.366
22 HB3 ALA 4 HB3 ALA 4 13.019 12.361 -3.013
23 H VAL 5 H VAL 5 10.297 11.414 -0.283
24 HA VAL 5 HA VAL 5 10.945 8.999 0.991
25 HB VAL 5 HB VAL 5 8.583 10.817 1.527
26 HG11 VAL 5 HG11 VAL 5 8.181 9.584 3.393
27 HG12 VAL 5 HG12 VAL 5 9.898 9.370 3.730
28 HG13 VAL 5 HG13 VAL 5 9.090 8.319 2.567
29 HG21 VAL 5 HG21 VAL 5 10.029 12.001 3.037
30 HG22 VAL 5 HG22 VAL 5 10.905 11.874 1.512
31 HG23 VAL 5 HG23 VAL 5 11.308 10.800 2.851
32 H ASP 6 H ASP 6 8.167 9.975 -0.961
33 HA ASP 6 HA ASP 6 6.563 7.701 -0.511
34 HB2 ASP 6 HB2 ASP 6 5.408 8.304 -2.556
35 HB3 ASP 6 HB3 ASP 6 5.794 9.780 -1.673
36 H THR 7 H THR 7 9.171 8.393 -2.764
37 HA THR 7 HA THR 7 9.033 6.010 -4.276
38 HB THR 7 HB THR 7 11.088 8.114 -3.785
39 HG1 THR 7 HG1 THR 7 9.732 8.377 -5.497
40 HG21 THR 7 HG21 THR 7 12.643 6.699 -5.277
41 HG22 THR 7 HG22 THR 7 11.665 5.323 -4.769
42 HG23 THR 7 HG23 THR 7 12.549 6.267 -3.570
43 H SER 8 H SER 8 10.496 6.869 -1.205
44 HA SER 8 HA SER 8 12.223 4.797 -0.696
45 HB2 SER 8 HB2 SER 8 11.946 5.261 1.575
46 HB3 SER 8 HB3 SER 8 11.401 6.758 0.823
47 HG SER 8 HG SER 8 9.949 5.904 2.427
48 H SER 9 H SER 9 8.879 4.567 -1.335
49 HA SER 9 HA SER 9 8.015 2.365 0.080
50 HB2 SER 9 HB2 SER 9 7.480 3.271 -2.739
51 HB3 SER 9 HB3 SER 9 6.746 1.799 -2.109
52 HG SER 9 HG SER 9 5.882 3.054 -0.412
53 H GLU 10 H GLU 10 10.379 2.553 -2.459
54 HA GLU 10 HA GLU 10 10.449 -0.089 -3.356
55 HB2 GLU 10 HB2 GLU 10 12.220 2.227 -3.404
56 HB3 GLU 10 HB3 GLU 10 13.110 0.709 -3.291
57 HG2 GLU 10 HG2 GLU 10 12.176 -0.128 -5.288
58 HG3 GLU 10 HG3 GLU 10 10.857 1.042 -5.265
59 H ILE 11 H ILE 11 11.451 1.318 -0.353
60 HA ILE 11 HA ILE 11 12.202 0.391 1.602
61 HB ILE 11 HB ILE 11 11.228 -2.049 0.158
62 HG12 ILE 11 HG12 ILE 11 10.517 -0.827 2.839
63 HG13 ILE 11 HG13 ILE 11 9.701 -0.417 1.330
64 HG21 ILE 11 HG21 ILE 11 13.013 -1.912 2.559
65 HG22 ILE 11 HG22 ILE 11 12.964 -3.117 1.271
66 HG23 ILE 11 HG23 ILE 11 11.727 -3.117 2.529
67 HD11 ILE 11 HD11 ILE 11 8.463 -2.302 1.397
68 HD12 ILE 11 HD12 ILE 11 9.063 -2.543 3.038
69 HD13 ILE 11 HD13 ILE 11 9.891 -3.299 1.676
70 H THR 12 H THR 12 13.438 -1.207 -1.307
71 HA THR 12 HA THR 12 15.917 -1.989 -0.085
72 HB THR 12 HB THR 12 15.123 -3.226 -2.008
73 HG1 THR 12 HG1 THR 12 17.397 -1.613 -2.469
74 HG21 THR 12 HG21 THR 12 15.356 -0.614 -3.526
75 HG22 THR 12 HG22 THR 12 13.840 -1.372 -3.041
76 HG23 THR 12 HG23 THR 12 14.894 -2.172 -4.209
77 H THR 13 H THR 13 14.752 0.951 -0.516
78 HA THR 13 HA THR 13 16.971 2.276 -1.799
79 HB THR 13 HB THR 13 14.700 3.385 -0.128
80 HG1 THR 13 HG1 THR 13 15.083 2.841 -2.856
81 HG21 THR 13 HG21 THR 13 15.305 5.539 -1.106
82 HG22 THR 13 HG22 THR 13 16.610 4.783 -2.021
83 HG23 THR 13 HG23 THR 13 16.699 4.865 -0.261
84 H LYS 14 H LYS 14 15.841 1.731 1.505
85 HA LYS 14 HA LYS 14 17.956 3.253 2.706
86 HB2 LYS 14 HB2 LYS 14 16.167 1.164 3.970
87 HB3 LYS 14 HB3 LYS 14 17.114 2.388 4.816
88 HG2 LYS 14 HG2 LYS 14 15.009 3.098 2.764
89 HG3 LYS 14 HG3 LYS 14 14.644 2.937 4.483
90 HD2 LYS 14 HD2 LYS 14 16.735 4.552 4.734
91 HD3 LYS 14 HD3 LYS 14 16.300 4.999 3.083
92 HE2 LYS 14 HE2 LYS 14 14.700 5.307 5.609
93 HE3 LYS 14 HE3 LYS 14 15.012 6.491 4.340
94 HZ1 LYS 14 HZ1 LYS 14 12.816 4.807 4.591
95 HZ2 LYS 14 HZ2 LYS 14 13.692 4.261 3.240
96 HZ3 LYS 14 HZ3 LYS 14 13.165 5.874 3.320
97 H ASP 15 H ASP 15 17.427 -0.136 1.905
98 HA ASP 15 HA ASP 15 19.497 -1.311 3.370
99 HB2 ASP 15 HB2 ASP 15 17.859 -2.007 1.094
100 HB3 ASP 15 HB3 ASP 15 19.519 -2.535 0.832
101 H LEU 16 H LEU 16 19.466 0.373 0.304
102 HA LEU 16 HA LEU 16 22.167 0.028 -0.433
103 HB2 LEU 16 HB2 LEU 16 19.880 1.442 -1.373
104 HB3 LEU 16 HB3 LEU 16 21.204 2.600 -1.255
105 HG LEU 16 HG LEU 16 21.404 -0.094 -2.639
106 HD11 LEU 16 HD11 LEU 16 20.758 0.881 -4.587
107 HD12 LEU 16 HD12 LEU 16 21.604 2.385 -4.222
108 HD13 LEU 16 HD13 LEU 16 20.003 2.087 -3.545
109 HD21 LEU 16 HD21 LEU 16 23.615 0.342 -2.356
110 HD22 LEU 16 HD22 LEU 16 23.310 2.013 -1.882
111 HD23 LEU 16 HD23 LEU 16 23.386 1.582 -3.589
112 H LYS 17 H LYS 17 20.546 2.180 1.778
113 HA LYS 17 HA LYS 17 22.492 4.179 2.073
114 HB2 LYS 17 HB2 LYS 17 20.147 4.178 3.031
115 HB3 LYS 17 HB3 LYS 17 20.758 3.123 4.306
116 HG2 LYS 17 HG2 LYS 17 22.645 5.115 4.287
117 HG3 LYS 17 HG3 LYS 17 21.175 6.010 3.902
118 HD2 LYS 17 HD2 LYS 17 20.064 4.886 5.865
119 HD3 LYS 17 HD3 LYS 17 21.635 4.210 6.296
120 HE2 LYS 17 HE2 LYS 17 20.823 7.120 6.213
121 HE3 LYS 17 HE3 LYS 17 21.427 6.200 7.591
122 HZ1 LYS 17 HZ1 LYS 17 22.881 7.571 5.567
123 HZ2 LYS 17 HZ2 LYS 17 23.346 5.939 5.645
124 HZ3 LYS 17 HZ3 LYS 17 23.434 6.918 7.032
125 H GLU 18 H GLU 18 22.238 0.989 3.542
126 HA GLU 18 HA GLU 18 24.183 1.262 5.534
127 HB2 GLU 18 HB2 GLU 18 23.176 -1.088 3.955
128 HB3 GLU 18 HB3 GLU 18 24.493 -1.278 5.112
129 HG2 GLU 18 HG2 GLU 18 23.140 -0.907 6.925
130 HG3 GLU 18 HG3 GLU 18 22.120 0.239 6.058
131 H LYS 19 H LYS 19 24.536 0.219 2.157
132 HA LYS 19 HA LYS 19 27.378 -0.100 2.358
133 HB2 LYS 19 HB2 LYS 19 25.335 -0.266 0.217
134 HB3 LYS 19 HB3 LYS 19 26.961 0.172 -0.306
135 HG2 LYS 19 HG2 LYS 19 26.891 -2.209 -0.387
136 HG3 LYS 19 HG3 LYS 19 27.785 -1.820 1.082
137 HD2 LYS 19 HD2 LYS 19 25.533 -1.963 2.304
138 HD3 LYS 19 HD3 LYS 19 24.908 -2.714 0.835
139 HE2 LYS 19 HE2 LYS 19 25.689 -4.675 1.631
140 HE3 LYS 19 HE3 LYS 19 27.312 -4.055 1.329
141 HZ1 LYS 19 HZ1 LYS 19 27.364 -4.583 3.559
142 HZ2 LYS 19 HZ2 LYS 19 25.769 -4.065 3.839
143 HZ3 LYS 19 HZ3 LYS 19 27.007 -2.926 3.601
144 H LYS 20 H LYS 20 25.209 2.488 1.357
145 HA LYS 20 HA LYS 20 27.276 4.175 0.322
146 HB2 LYS 20 HB2 LYS 20 24.375 4.404 0.874
147 HB3 LYS 20 HB3 LYS 20 25.280 5.911 0.969
148 HG2 LYS 20 HG2 LYS 20 26.296 4.960 -1.350
149 HG3 LYS 20 HG3 LYS 20 24.715 4.184 -1.393
150 HD2 LYS 20 HD2 LYS 20 24.488 6.312 -2.486
151 HD3 LYS 20 HD3 LYS 20 23.700 6.455 -0.915
152 HE2 LYS 20 HE2 LYS 20 25.082 8.133 -0.342
153 HE3 LYS 20 HE3 LYS 20 26.483 7.100 -0.617
154 HZ1 LYS 20 HZ1 LYS 20 25.033 8.500 -2.792
155 HZ2 LYS 20 HZ2 LYS 20 26.524 7.694 -2.895
156 HZ3 LYS 20 HZ3 LYS 20 26.398 9.141 -2.016
157 H GLU 21 H GLU 21 25.870 3.599 3.471
158 HA GLU 21 HA GLU 21 26.790 5.950 4.753
159 HB2 GLU 21 HB2 GLU 21 25.182 4.778 5.978
160 HB3 GLU 21 HB3 GLU 21 25.976 3.224 5.721
161 HG2 GLU 21 HG2 GLU 21 27.573 3.610 7.357
162 HG3 GLU 21 HG3 GLU 21 27.469 5.362 7.193
163 H VAL 22 H VAL 22 28.257 2.752 4.275
164 HA VAL 22 HA VAL 22 30.517 3.120 5.900
165 HB VAL 22 HB VAL 22 30.531 1.569 3.313
166 HG11 VAL 22 HG11 VAL 22 32.017 0.093 4.641
167 HG12 VAL 22 HG12 VAL 22 31.854 1.184 6.017
168 HG13 VAL 22 HG13 VAL 22 32.653 1.736 4.546
169 HG21 VAL 22 HG21 VAL 22 28.629 0.606 4.171
170 HG22 VAL 22 HG22 VAL 22 28.970 1.153 5.812
171 HG23 VAL 22 HG23 VAL 22 29.797 -0.263 5.165
172 H VAL 23 H VAL 23 29.876 4.107 2.573
173 HA VAL 23 HA VAL 23 32.460 4.777 1.769
174 HB VAL 23 HB VAL 23 29.880 6.185 1.055
175 HG11 VAL 23 HG11 VAL 23 31.618 7.573 0.279
176 HG12 VAL 23 HG12 VAL 23 31.282 6.539 -1.109
177 HG13 VAL 23 HG13 VAL 23 32.673 6.206 -0.078
178 HG21 VAL 23 HG21 VAL 23 30.403 4.605 -1.043
179 HG22 VAL 23 HG22 VAL 23 29.464 4.031 0.334
180 HG23 VAL 23 HG23 VAL 23 31.177 3.631 0.207
181 H GLU 24 H GLU 24 30.271 6.484 3.917
182 HA GLU 24 HA GLU 24 31.265 9.057 3.839
183 HB2 GLU 24 HB2 GLU 24 30.096 7.380 6.005
184 HB3 GLU 24 HB3 GLU 24 30.849 8.908 6.450
185 HG2 GLU 24 HG2 GLU 24 28.559 9.426 6.036
186 HG3 GLU 24 HG3 GLU 24 29.434 9.983 4.611
187 H GLU 25 H GLU 25 32.640 6.235 5.460
188 HA GLU 25 HA GLU 25 34.656 7.509 6.925
189 HB2 GLU 25 HB2 GLU 25 33.964 4.966 6.752
190 HB3 GLU 25 HB3 GLU 25 35.226 4.922 5.521
191 HG2 GLU 25 HG2 GLU 25 36.535 4.506 7.366
192 HG3 GLU 25 HG3 GLU 25 36.568 6.268 7.408
193 H ALA 26 H ALA 26 34.191 7.052 3.572
194 HA ALA 26 HA ALA 26 36.889 7.345 2.683
195 HB1 ALA 26 HB1 ALA 26 34.520 8.172 1.041
196 HB2 ALA 26 HB2 ALA 26 34.774 6.468 1.417
197 HB3 ALA 26 HB3 ALA 26 36.003 7.368 0.528
198 H GLU 27 H GLU 27 34.235 9.554 3.337
199 HA GLU 27 HA GLU 27 35.215 11.891 2.184
200 HB2 GLU 27 HB2 GLU 27 32.954 11.584 3.243
201 HB3 GLU 27 HB3 GLU 27 33.737 11.731 4.817
202 HG2 GLU 27 HG2 GLU 27 34.211 13.972 4.533
203 HG3 GLU 27 HG3 GLU 27 34.307 13.837 2.779
204 H ASN 28 H ASN 28 36.823 10.028 4.328
205 HA ASN 28 HA ASN 28 38.874 11.884 4.812
206 HB2 ASN 28 HB2 ASN 28 37.928 13.106 6.461
207 HB3 ASN 28 HB3 ASN 28 36.657 11.919 6.736
208 HD21 ASN 28 HD21 ASN 28 39.631 13.159 7.970
209 HD22 ASN 28 HD22 ASN 28 39.862 11.997 9.185
Start of MODEL 17
1 H1 ACE 0 H1 ACE 0 3.068 -18.854 -9.882
2 H2 ACE 0 H2 ACE 0 4.594 -18.595 -10.728
3 H3 ACE 0 H3 ACE 0 3.156 -17.693 -11.205
4 H SER 1 H SER 1 3.140 -18.009 -7.899
5 HA SER 1 HA SER 1 4.072 -15.251 -7.557
6 HB2 SER 1 HB2 SER 1 2.477 -17.117 -5.801
7 HB3 SER 1 HB3 SER 1 3.057 -15.548 -5.251
8 HG SER 1 HG SER 1 0.927 -15.470 -6.134
9 H ASP 2 H ASP 2 4.802 -18.535 -6.565
10 HA ASP 2 HA ASP 2 6.588 -18.013 -4.465
11 HB2 ASP 2 HB2 ASP 2 5.635 -20.262 -5.233
12 HB3 ASP 2 HB3 ASP 2 6.918 -20.265 -6.443
13 H ALA 3 H ALA 3 7.065 -18.067 -7.962
14 HA ALA 3 HA ALA 3 9.868 -17.981 -8.024
15 HB1 ALA 3 HB1 ALA 3 9.010 -16.438 -10.186
16 HB2 ALA 3 HB2 ALA 3 7.679 -17.555 -9.882
17 HB3 ALA 3 HB3 ALA 3 9.301 -18.178 -10.185
18 H ALA 4 H ALA 4 7.534 -15.528 -7.250
19 HA ALA 4 HA ALA 4 8.873 -13.175 -7.810
20 HB1 ALA 4 HB1 ALA 4 7.523 -13.386 -5.162
21 HB2 ALA 4 HB2 ALA 4 6.557 -13.697 -6.605
22 HB3 ALA 4 HB3 ALA 4 7.374 -12.147 -6.409
23 H VAL 5 H VAL 5 9.854 -15.655 -5.702
24 HA VAL 5 HA VAL 5 11.235 -14.247 -3.714
25 HB VAL 5 HB VAL 5 12.643 -16.322 -3.554
26 HG11 VAL 5 HG11 VAL 5 10.634 -17.828 -3.077
27 HG12 VAL 5 HG12 VAL 5 9.626 -16.510 -3.676
28 HG13 VAL 5 HG13 VAL 5 10.641 -16.270 -2.253
29 HG21 VAL 5 HG21 VAL 5 12.807 -17.125 -5.760
30 HG22 VAL 5 HG22 VAL 5 11.081 -16.920 -6.062
31 HG23 VAL 5 HG23 VAL 5 11.646 -18.231 -5.024
32 H ASP 6 H ASP 6 12.195 -15.214 -6.985
33 HA ASP 6 HA ASP 6 14.910 -14.462 -6.794
34 HB2 ASP 6 HB2 ASP 6 13.141 -14.302 -9.248
35 HB3 ASP 6 HB3 ASP 6 14.900 -14.417 -9.220
36 H THR 7 H THR 7 11.985 -12.691 -7.630
37 HA THR 7 HA THR 7 13.212 -10.224 -8.286
38 HB THR 7 HB THR 7 11.026 -9.274 -8.132
39 HG1 THR 7 HG1 THR 7 9.361 -10.468 -7.062
40 HG21 THR 7 HG21 THR 7 9.636 -10.968 -9.324
41 HG22 THR 7 HG22 THR 7 10.837 -12.195 -8.920
42 HG23 THR 7 HG23 THR 7 11.272 -10.851 -9.975
43 H SER 8 H SER 8 12.358 -11.778 -5.285
44 HA SER 8 HA SER 8 12.218 -9.707 -3.486
45 HB2 SER 8 HB2 SER 8 12.083 -12.249 -3.086
46 HB3 SER 8 HB3 SER 8 13.831 -12.173 -2.878
47 HG SER 8 HG SER 8 13.176 -11.728 -0.892
48 H SER 9 H SER 9 15.113 -11.068 -4.968
49 HA SER 9 HA SER 9 17.101 -9.951 -3.406
50 HB2 SER 9 HB2 SER 9 17.750 -9.663 -6.217
51 HB3 SER 9 HB3 SER 9 18.443 -10.746 -5.013
52 HG SER 9 HG SER 9 16.207 -11.110 -6.689
53 H GLU 10 H GLU 10 14.998 -8.387 -5.724
54 HA GLU 10 HA GLU 10 16.420 -5.983 -6.081
55 HB2 GLU 10 HB2 GLU 10 13.482 -6.657 -6.221
56 HB3 GLU 10 HB3 GLU 10 14.093 -5.039 -6.563
57 HG2 GLU 10 HG2 GLU 10 15.729 -6.915 -7.971
58 HG3 GLU 10 HG3 GLU 10 14.043 -7.306 -8.301
59 H ILE 11 H ILE 11 14.539 -7.180 -3.424
60 HA ILE 11 HA ILE 11 13.882 -4.726 -2.183
61 HB ILE 11 HB ILE 11 14.409 -7.406 -0.882
62 HG12 ILE 11 HG12 ILE 11 11.826 -6.204 -1.930
63 HG13 ILE 11 HG13 ILE 11 12.739 -7.478 -2.739
64 HG21 ILE 11 HG21 ILE 11 14.008 -6.253 1.016
65 HG22 ILE 11 HG22 ILE 11 12.365 -5.999 0.427
66 HG23 ILE 11 HG23 ILE 11 13.612 -4.792 0.112
67 HD11 ILE 11 HD11 ILE 11 12.535 -8.817 -0.576
68 HD12 ILE 11 HD12 ILE 11 11.038 -8.593 -1.482
69 HD13 ILE 11 HD13 ILE 11 11.359 -7.613 -0.051
70 H THR 12 H THR 12 15.759 -3.418 -2.379
71 HA THR 12 HA THR 12 17.484 -3.513 -0.103
72 HB THR 12 HB THR 12 19.401 -3.513 -2.189
73 HG1 THR 12 HG1 THR 12 17.776 -4.658 -3.370
74 HG21 THR 12 HG21 THR 12 20.121 -5.634 -0.990
75 HG22 THR 12 HG22 THR 12 18.677 -5.461 0.009
76 HG23 THR 12 HG23 THR 12 19.925 -4.216 0.042
77 H THR 13 H THR 13 15.676 -1.661 -1.353
78 HA THR 13 HA THR 13 17.241 0.366 -2.686
79 HB THR 13 HB THR 13 15.184 1.708 -2.564
80 HG1 THR 13 HG1 THR 13 13.777 -0.381 -1.417
81 HG21 THR 13 HG21 THR 13 15.436 -0.012 -4.335
82 HG22 THR 13 HG22 THR 13 13.749 0.218 -3.875
83 HG23 THR 13 HG23 THR 13 14.640 -1.186 -3.287
84 H LYS 14 H LYS 14 15.594 0.156 0.472
85 HA LYS 14 HA LYS 14 16.766 2.582 1.449
86 HB2 LYS 14 HB2 LYS 14 15.400 0.306 2.908
87 HB3 LYS 14 HB3 LYS 14 15.840 1.850 3.636
88 HG2 LYS 14 HG2 LYS 14 14.413 3.033 2.013
89 HG3 LYS 14 HG3 LYS 14 13.977 1.494 1.270
90 HD2 LYS 14 HD2 LYS 14 12.190 1.773 2.725
91 HD3 LYS 14 HD3 LYS 14 13.297 0.860 3.751
92 HE2 LYS 14 HE2 LYS 14 12.884 2.591 5.200
93 HE3 LYS 14 HE3 LYS 14 14.179 3.353 4.277
94 HZ1 LYS 14 HZ1 LYS 14 12.173 4.013 2.744
95 HZ2 LYS 14 HZ2 LYS 14 12.580 4.940 4.108
96 HZ3 LYS 14 HZ3 LYS 14 11.293 3.834 4.183
97 H ASP 15 H ASP 15 17.598 -0.815 1.557
98 HA ASP 15 HA ASP 15 19.521 -0.763 3.612
99 HB2 ASP 15 HB2 ASP 15 19.180 -2.463 1.154
100 HB3 ASP 15 HB3 ASP 15 20.519 -2.707 2.272
101 H LEU 16 H LEU 16 19.634 0.127 0.234
102 HA LEU 16 HA LEU 16 22.375 0.266 -0.214
103 HB2 LEU 16 HB2 LEU 16 20.419 0.705 -1.841
104 HB3 LEU 16 HB3 LEU 16 20.444 2.355 -1.222
105 HG LEU 16 HG LEU 16 23.074 1.229 -2.028
106 HD11 LEU 16 HD11 LEU 16 20.974 2.056 -4.056
107 HD12 LEU 16 HD12 LEU 16 21.561 0.410 -3.817
108 HD13 LEU 16 HD13 LEU 16 22.657 1.659 -4.409
109 HD21 LEU 16 HD21 LEU 16 22.762 3.548 -1.199
110 HD22 LEU 16 HD22 LEU 16 21.656 3.866 -2.535
111 HD23 LEU 16 HD23 LEU 16 23.356 3.529 -2.858
112 H LYS 17 H LYS 17 20.264 2.305 1.644
113 HA LYS 17 HA LYS 17 21.990 4.567 1.868
114 HB2 LYS 17 HB2 LYS 17 19.834 3.645 3.781
115 HB3 LYS 17 HB3 LYS 17 20.527 5.265 3.680
116 HG2 LYS 17 HG2 LYS 17 19.754 4.773 1.072
117 HG3 LYS 17 HG3 LYS 17 18.467 4.014 2.010
118 HD2 LYS 17 HD2 LYS 17 19.461 6.844 2.449
119 HD3 LYS 17 HD3 LYS 17 18.021 6.426 1.521
120 HE2 LYS 17 HE2 LYS 17 16.851 6.430 3.444
121 HE3 LYS 17 HE3 LYS 17 17.792 5.033 3.967
122 HZ1 LYS 17 HZ1 LYS 17 18.406 7.898 4.427
123 HZ2 LYS 17 HZ2 LYS 17 19.516 6.647 4.725
124 HZ3 LYS 17 HZ3 LYS 17 18.057 6.716 5.592
125 H GLU 18 H GLU 18 21.611 1.595 3.710
126 HA GLU 18 HA GLU 18 23.264 2.362 5.895
127 HB2 GLU 18 HB2 GLU 18 21.789 0.512 6.224
128 HB3 GLU 18 HB3 GLU 18 22.427 -0.334 4.814
129 HG2 GLU 18 HG2 GLU 18 24.331 0.418 6.996
130 HG3 GLU 18 HG3 GLU 18 23.251 -0.948 7.266
131 H LYS 19 H LYS 19 23.877 0.907 2.758
132 HA LYS 19 HA LYS 19 26.620 0.253 3.293
133 HB2 LYS 19 HB2 LYS 19 25.494 -0.951 1.540
134 HB3 LYS 19 HB3 LYS 19 25.051 0.548 0.723
135 HG2 LYS 19 HG2 LYS 19 27.945 0.206 1.238
136 HG3 LYS 19 HG3 LYS 19 27.250 -0.928 0.079
137 HD2 LYS 19 HD2 LYS 19 26.596 1.997 -0.137
138 HD3 LYS 19 HD3 LYS 19 28.133 1.400 -0.764
139 HE2 LYS 19 HE2 LYS 19 25.500 0.102 -1.489
140 HE3 LYS 19 HE3 LYS 19 26.165 1.449 -2.414
141 HZ1 LYS 19 HZ1 LYS 19 26.780 -1.192 -2.738
142 HZ2 LYS 19 HZ2 LYS 19 28.117 -0.569 -1.894
143 HZ3 LYS 19 HZ3 LYS 19 27.645 0.121 -3.373
144 H LYS 20 H LYS 20 24.930 2.943 1.723
145 HA LYS 20 HA LYS 20 27.186 4.357 0.826
146 HB2 LYS 20 HB2 LYS 20 24.347 4.860 1.153
147 HB3 LYS 20 HB3 LYS 20 25.296 6.282 1.582
148 HG2 LYS 20 HG2 LYS 20 26.558 5.996 -0.584
149 HG3 LYS 20 HG3 LYS 20 25.404 4.734 -1.021
150 HD2 LYS 20 HD2 LYS 20 23.771 6.231 -1.501
151 HD3 LYS 20 HD3 LYS 20 24.134 7.215 -0.083
152 HE2 LYS 20 HE2 LYS 20 25.948 7.190 -2.496
153 HE3 LYS 20 HE3 LYS 20 24.569 8.283 -2.387
154 HZ1 LYS 20 HZ1 LYS 20 26.912 8.131 -0.579
155 HZ2 LYS 20 HZ2 LYS 20 25.499 8.986 -0.182
156 HZ3 LYS 20 HZ3 LYS 20 26.419 9.442 -1.535
157 H GLU 21 H GLU 21 25.644 4.138 3.972
158 HA GLU 21 HA GLU 21 26.763 6.345 5.257
159 HB2 GLU 21 HB2 GLU 21 26.076 3.592 6.299
160 HB3 GLU 21 HB3 GLU 21 26.576 4.923 7.342
161 HG2 GLU 21 HG2 GLU 21 24.415 5.503 5.382
162 HG3 GLU 21 HG3 GLU 21 23.994 4.459 6.739
163 H VAL 22 H VAL 22 28.097 3.068 4.853
164 HA VAL 22 HA VAL 22 30.451 3.434 6.339
165 HB VAL 22 HB VAL 22 31.093 1.380 5.537
166 HG11 VAL 22 HG11 VAL 22 29.160 0.028 5.292
167 HG12 VAL 22 HG12 VAL 22 28.261 1.316 4.491
168 HG13 VAL 22 HG13 VAL 22 28.608 1.424 6.216
169 HG21 VAL 22 HG21 VAL 22 30.362 0.670 3.134
170 HG22 VAL 22 HG22 VAL 22 31.672 1.839 3.299
171 HG23 VAL 22 HG23 VAL 22 30.046 2.388 2.895
172 H VAL 23 H VAL 23 29.667 4.287 3.022
173 HA VAL 23 HA VAL 23 32.245 4.742 2.036
174 HB VAL 23 HB VAL 23 29.793 4.859 0.958
175 HG11 VAL 23 HG11 VAL 23 28.990 7.007 0.583
176 HG12 VAL 23 HG12 VAL 23 30.563 7.755 0.850
177 HG13 VAL 23 HG13 VAL 23 29.619 7.176 2.221
178 HG21 VAL 23 HG21 VAL 23 32.480 5.833 0.145
179 HG22 VAL 23 HG22 VAL 23 31.129 6.340 -0.868
180 HG23 VAL 23 HG23 VAL 23 31.444 4.624 -0.612
181 H GLU 24 H GLU 24 30.403 6.557 4.326
182 HA GLU 24 HA GLU 24 31.337 9.136 4.036
183 HB2 GLU 24 HB2 GLU 24 30.840 7.529 6.542
184 HB3 GLU 24 HB3 GLU 24 31.191 9.256 6.558
185 HG2 GLU 24 HG2 GLU 24 29.035 8.251 4.741
186 HG3 GLU 24 HG3 GLU 24 28.687 8.393 6.463
187 H GLU 25 H GLU 25 32.987 6.338 5.402
188 HA GLU 25 HA GLU 25 35.215 7.603 6.521
189 HB2 GLU 25 HB2 GLU 25 34.445 5.043 6.377
190 HB3 GLU 25 HB3 GLU 25 35.642 5.033 5.081
191 HG2 GLU 25 HG2 GLU 25 37.110 6.324 6.865
192 HG3 GLU 25 HG3 GLU 25 36.023 5.537 8.008
193 H ALA 26 H ALA 26 34.221 7.400 3.285
194 HA ALA 26 HA ALA 26 36.742 7.426 1.968
195 HB1 ALA 26 HB1 ALA 26 34.254 8.750 0.903
196 HB2 ALA 26 HB2 ALA 26 34.412 6.995 0.959
197 HB3 ALA 26 HB3 ALA 26 35.545 7.952 0.005
198 H GLU 27 H GLU 27 35.014 9.780 3.764
199 HA GLU 27 HA GLU 27 35.967 12.153 2.549
200 HB2 GLU 27 HB2 GLU 27 34.709 11.407 5.126
201 HB3 GLU 27 HB3 GLU 27 35.656 12.896 5.130
202 HG2 GLU 27 HG2 GLU 27 33.154 13.067 4.487
203 HG3 GLU 27 HG3 GLU 27 34.322 13.890 3.458
204 H ASN 28 H ASN 28 37.683 9.710 3.956
205 HA ASN 28 HA ASN 28 40.022 11.431 4.299
206 HB2 ASN 28 HB2 ASN 28 38.776 11.086 6.546
207 HB3 ASN 28 HB3 ASN 28 39.392 9.437 6.459
208 HD21 ASN 28 HD21 ASN 28 40.412 10.732 8.573
209 HD22 ASN 28 HD22 ASN 28 41.987 11.298 8.288
Start of MODEL 18
1 H1 ACE 0 H1 ACE 0 32.343 -14.362 -3.052
2 H2 ACE 0 H2 ACE 0 30.917 -13.808 -3.929
3 H3 ACE 0 H3 ACE 0 30.736 -14.863 -2.529
4 H SER 1 H SER 1 31.079 -11.625 -3.633
5 HA SER 1 HA SER 1 30.401 -10.581 -1.022
6 HB2 SER 1 HB2 SER 1 32.372 -8.955 -1.097
7 HB3 SER 1 HB3 SER 1 32.743 -10.611 -0.633
8 HG SER 1 HG SER 1 33.863 -10.839 -2.403
9 H ASP 2 H ASP 2 32.184 -8.771 -3.431
10 HA ASP 2 HA ASP 2 30.398 -6.696 -3.710
11 HB2 ASP 2 HB2 ASP 2 32.092 -7.795 -5.962
12 HB3 ASP 2 HB3 ASP 2 31.518 -6.138 -5.770
13 H ALA 3 H ALA 3 30.365 -9.848 -5.237
14 HA ALA 3 HA ALA 3 28.539 -9.437 -7.299
15 HB1 ALA 3 HB1 ALA 3 28.653 -11.882 -5.522
16 HB2 ALA 3 HB2 ALA 3 29.808 -11.557 -6.815
17 HB3 ALA 3 HB3 ALA 3 28.104 -11.803 -7.197
18 H ALA 4 H ALA 4 28.074 -9.559 -3.859
19 HA ALA 4 HA ALA 4 25.407 -10.198 -3.574
20 HB1 ALA 4 HB1 ALA 4 25.469 -9.069 -1.507
21 HB2 ALA 4 HB2 ALA 4 26.633 -7.881 -2.091
22 HB3 ALA 4 HB3 ALA 4 27.146 -9.541 -1.785
23 H VAL 5 H VAL 5 26.817 -7.363 -4.991
24 HA VAL 5 HA VAL 5 24.670 -5.574 -4.844
25 HB VAL 5 HB VAL 5 26.981 -5.915 -6.728
26 HG11 VAL 5 HG11 VAL 5 24.600 -4.078 -7.029
27 HG12 VAL 5 HG12 VAL 5 25.313 -5.142 -8.240
28 HG13 VAL 5 HG13 VAL 5 26.172 -3.691 -7.727
29 HG21 VAL 5 HG21 VAL 5 26.319 -3.380 -5.323
30 HG22 VAL 5 HG22 VAL 5 27.881 -4.168 -5.547
31 HG23 VAL 5 HG23 VAL 5 26.775 -4.742 -4.300
32 H ASP 6 H ASP 6 25.409 -8.193 -7.093
33 HA ASP 6 HA ASP 6 23.387 -7.662 -8.985
34 HB2 ASP 6 HB2 ASP 6 25.310 -9.666 -8.568
35 HB3 ASP 6 HB3 ASP 6 23.759 -10.504 -8.536
36 H THR 7 H THR 7 23.442 -9.390 -5.931
37 HA THR 7 HA THR 7 20.822 -10.443 -5.989
38 HB THR 7 HB THR 7 21.789 -9.625 -3.345
39 HG1 THR 7 HG1 THR 7 23.795 -9.847 -4.213
40 HG21 THR 7 HG21 THR 7 21.515 -12.423 -4.406
41 HG22 THR 7 HG22 THR 7 20.078 -11.445 -4.110
42 HG23 THR 7 HG23 THR 7 21.181 -11.816 -2.786
43 H SER 8 H SER 8 22.153 -7.328 -4.979
44 HA SER 8 HA SER 8 19.932 -6.268 -3.660
45 HB2 SER 8 HB2 SER 8 22.089 -5.129 -3.689
46 HB3 SER 8 HB3 SER 8 21.934 -4.834 -5.418
47 HG SER 8 HG SER 8 20.514 -3.302 -5.037
48 H SER 9 H SER 9 20.386 -6.900 -7.030
49 HA SER 9 HA SER 9 18.713 -5.089 -8.271
50 HB2 SER 9 HB2 SER 9 18.690 -8.020 -8.967
51 HB3 SER 9 HB3 SER 9 18.503 -6.640 -10.044
52 HG SER 9 HG SER 9 20.741 -6.133 -9.061
53 H GLU 10 H GLU 10 17.877 -7.656 -6.092
54 HA GLU 10 HA GLU 10 15.138 -7.919 -6.829
55 HB2 GLU 10 HB2 GLU 10 16.449 -8.491 -4.163
56 HB3 GLU 10 HB3 GLU 10 14.882 -9.091 -4.704
57 HG2 GLU 10 HG2 GLU 10 15.905 -10.367 -6.481
58 HG3 GLU 10 HG3 GLU 10 17.479 -9.640 -6.161
59 H ILE 11 H ILE 11 16.838 -5.972 -4.417
60 HA ILE 11 HA ILE 11 14.976 -3.855 -4.500
61 HB ILE 11 HB ILE 11 13.452 -5.387 -3.391
62 HG12 ILE 11 HG12 ILE 11 13.953 -3.982 -0.954
63 HG13 ILE 11 HG13 ILE 11 14.388 -2.910 -2.287
64 HG21 ILE 11 HG21 ILE 11 14.669 -5.764 -0.859
65 HG22 ILE 11 HG22 ILE 11 15.871 -6.220 -2.066
66 HG23 ILE 11 HG23 ILE 11 14.287 -6.996 -2.061
67 HD11 ILE 11 HD11 ILE 11 12.189 -3.352 -3.342
68 HD12 ILE 11 HD12 ILE 11 12.011 -2.646 -1.737
69 HD13 ILE 11 HD13 ILE 11 11.750 -4.374 -1.973
70 H THR 12 H THR 12 15.735 -4.483 -1.272
71 HA THR 12 HA THR 12 17.203 -3.493 0.192
72 HB THR 12 HB THR 12 19.618 -3.419 -0.643
73 HG1 THR 12 HG1 THR 12 19.312 -5.066 -2.651
74 HG21 THR 12 HG21 THR 12 17.863 -5.657 -0.081
75 HG22 THR 12 HG22 THR 12 19.538 -5.404 0.410
76 HG23 THR 12 HG23 THR 12 19.178 -6.144 -1.151
77 H THR 13 H THR 13 15.591 -1.704 -1.193
78 HA THR 13 HA THR 13 17.053 0.413 -2.412
79 HB THR 13 HB THR 13 14.817 1.644 -1.488
80 HG1 THR 13 HG1 THR 13 14.349 -0.462 -0.447
81 HG21 THR 13 HG21 THR 13 13.871 1.179 -3.653
82 HG22 THR 13 HG22 THR 13 14.828 -0.293 -3.813
83 HG23 THR 13 HG23 THR 13 15.620 1.281 -3.854
84 H LYS 14 H LYS 14 15.543 0.157 0.816
85 HA LYS 14 HA LYS 14 16.810 2.532 1.789
86 HB2 LYS 14 HB2 LYS 14 15.327 0.267 3.131
87 HB3 LYS 14 HB3 LYS 14 16.032 1.601 4.044
88 HG2 LYS 14 HG2 LYS 14 14.539 3.151 3.203
89 HG3 LYS 14 HG3 LYS 14 14.321 2.277 1.687
90 HD2 LYS 14 HD2 LYS 14 12.670 0.940 2.538
91 HD3 LYS 14 HD3 LYS 14 13.412 0.869 4.137
92 HE2 LYS 14 HE2 LYS 14 12.352 3.512 3.259
93 HE3 LYS 14 HE3 LYS 14 11.167 2.270 3.664
94 HZ1 LYS 14 HZ1 LYS 14 13.425 2.697 5.482
95 HZ2 LYS 14 HZ2 LYS 14 11.840 2.193 5.826
96 HZ3 LYS 14 HZ3 LYS 14 12.162 3.828 5.495
97 H ASP 15 H ASP 15 17.586 -0.876 1.764
98 HA ASP 15 HA ASP 15 19.609 -0.903 3.732
99 HB2 ASP 15 HB2 ASP 15 18.610 -2.656 1.664
100 HB3 ASP 15 HB3 ASP 15 20.370 -2.704 1.717
101 H LEU 16 H LEU 16 19.568 -0.004 0.349
102 HA LEU 16 HA LEU 16 22.290 0.106 -0.219
103 HB2 LEU 16 HB2 LEU 16 19.897 0.964 -1.442
104 HB3 LEU 16 HB3 LEU 16 20.921 2.396 -1.334
105 HG LEU 16 HG LEU 16 21.447 1.288 -3.413
106 HD11 LEU 16 HD11 LEU 16 23.314 1.892 -1.498
107 HD12 LEU 16 HD12 LEU 16 23.703 1.438 -3.157
108 HD13 LEU 16 HD13 LEU 16 23.732 0.222 -1.879
109 HD21 LEU 16 HD21 LEU 16 20.574 -0.982 -2.337
110 HD22 LEU 16 HD22 LEU 16 22.291 -1.219 -2.005
111 HD23 LEU 16 HD23 LEU 16 21.736 -1.002 -3.664
112 H LYS 17 H LYS 17 20.268 2.162 1.716
113 HA LYS 17 HA LYS 17 21.979 4.424 1.866
114 HB2 LYS 17 HB2 LYS 17 19.475 4.031 2.669
115 HB3 LYS 17 HB3 LYS 17 20.280 3.681 4.199
116 HG2 LYS 17 HG2 LYS 17 21.471 5.849 4.056
117 HG3 LYS 17 HG3 LYS 17 20.621 6.204 2.553
118 HD2 LYS 17 HD2 LYS 17 19.382 7.312 4.267
119 HD3 LYS 17 HD3 LYS 17 18.451 5.869 3.862
120 HE2 LYS 17 HE2 LYS 17 20.505 5.636 6.019
121 HE3 LYS 17 HE3 LYS 17 19.009 6.490 6.396
122 HZ1 LYS 17 HZ1 LYS 17 18.457 4.118 4.957
123 HZ2 LYS 17 HZ2 LYS 17 17.927 4.580 6.504
124 HZ3 LYS 17 HZ3 LYS 17 19.401 3.757 6.319
125 H GLU 18 H GLU 18 21.621 1.556 3.907
126 HA GLU 18 HA GLU 18 23.449 2.223 5.909
127 HB2 GLU 18 HB2 GLU 18 22.779 -0.489 4.744
128 HB3 GLU 18 HB3 GLU 18 23.685 -0.238 6.238
129 HG2 GLU 18 HG2 GLU 18 21.002 1.069 5.865
130 HG3 GLU 18 HG3 GLU 18 21.100 -0.616 6.375
131 H LYS 19 H LYS 19 23.967 0.604 2.804
132 HA LYS 19 HA LYS 19 26.788 0.276 3.167
133 HB2 LYS 19 HB2 LYS 19 25.405 0.380 0.492
134 HB3 LYS 19 HB3 LYS 19 26.816 -0.565 0.968
135 HG2 LYS 19 HG2 LYS 19 25.389 -1.894 2.503
136 HG3 LYS 19 HG3 LYS 19 23.982 -0.976 1.964
137 HD2 LYS 19 HD2 LYS 19 24.212 -1.804 -0.288
138 HD3 LYS 19 HD3 LYS 19 25.769 -2.543 0.086
139 HE2 LYS 19 HE2 LYS 19 24.770 -4.406 0.863
140 HE3 LYS 19 HE3 LYS 19 23.741 -3.461 1.941
141 HZ1 LYS 19 HZ1 LYS 19 23.250 -4.189 -0.884
142 HZ2 LYS 19 HZ2 LYS 19 22.392 -2.940 -0.116
143 HZ3 LYS 19 HZ3 LYS 19 22.290 -4.531 0.471
144 H LYS 20 H LYS 20 24.711 2.797 1.965
145 HA LYS 20 HA LYS 20 26.722 4.278 0.576
146 HB2 LYS 20 HB2 LYS 20 24.192 4.475 0.296
147 HB3 LYS 20 HB3 LYS 20 24.203 5.417 1.787
148 HG2 LYS 20 HG2 LYS 20 26.291 6.427 0.128
149 HG3 LYS 20 HG3 LYS 20 24.842 6.289 -0.869
150 HD2 LYS 20 HD2 LYS 20 24.941 7.646 1.841
151 HD3 LYS 20 HD3 LYS 20 24.993 8.491 0.293
152 HE2 LYS 20 HE2 LYS 20 22.784 6.562 0.513
153 HE3 LYS 20 HE3 LYS 20 22.689 7.885 1.674
154 HZ1 LYS 20 HZ1 LYS 20 22.880 8.079 -1.277
155 HZ2 LYS 20 HZ2 LYS 20 23.098 9.411 -0.245
156 HZ3 LYS 20 HZ3 LYS 20 21.607 8.597 -0.285
157 H GLU 21 H GLU 21 25.638 4.097 3.897
158 HA GLU 21 HA GLU 21 26.753 6.526 4.824
159 HB2 GLU 21 HB2 GLU 21 25.644 4.080 6.005
160 HB3 GLU 21 HB3 GLU 21 26.907 4.828 6.981
161 HG2 GLU 21 HG2 GLU 21 24.491 6.281 5.864
162 HG3 GLU 21 HG3 GLU 21 24.653 5.723 7.528
163 H VAL 22 H VAL 22 28.110 3.323 4.287
164 HA VAL 22 HA VAL 22 30.508 3.616 5.718
165 HB VAL 22 HB VAL 22 31.315 1.756 4.506
166 HG11 VAL 22 HG11 VAL 22 28.283 1.649 4.508
167 HG12 VAL 22 HG12 VAL 22 29.342 1.216 5.850
168 HG13 VAL 22 HG13 VAL 22 29.342 0.246 4.378
169 HG21 VAL 22 HG21 VAL 22 29.675 1.259 2.349
170 HG22 VAL 22 HG22 VAL 22 31.263 2.017 2.250
171 HG23 VAL 22 HG23 VAL 22 29.813 3.017 2.311
172 H VAL 23 H VAL 23 29.484 4.934 2.656
173 HA VAL 23 HA VAL 23 31.923 5.495 1.438
174 HB VAL 23 HB VAL 23 29.427 7.212 1.495
175 HG11 VAL 23 HG11 VAL 23 30.714 8.690 0.371
176 HG12 VAL 23 HG12 VAL 23 30.758 7.511 -0.939
177 HG13 VAL 23 HG13 VAL 23 32.051 7.545 0.260
178 HG21 VAL 23 HG21 VAL 23 28.523 5.629 0.168
179 HG22 VAL 23 HG22 VAL 23 29.965 4.637 0.377
180 HG23 VAL 23 HG23 VAL 23 29.872 5.788 -0.955
181 H GLU 24 H GLU 24 30.646 6.694 4.377
182 HA GLU 24 HA GLU 24 31.721 9.240 4.603
183 HB2 GLU 24 HB2 GLU 24 31.277 7.014 6.565
184 HB3 GLU 24 HB3 GLU 24 32.132 8.468 7.080
185 HG2 GLU 24 HG2 GLU 24 29.740 9.106 5.538
186 HG3 GLU 24 HG3 GLU 24 29.364 8.143 6.965
187 H GLU 25 H GLU 25 33.273 6.094 4.858
188 HA GLU 25 HA GLU 25 35.764 6.783 5.857
189 HB2 GLU 25 HB2 GLU 25 34.640 4.596 4.290
190 HB3 GLU 25 HB3 GLU 25 36.318 4.926 3.857
191 HG2 GLU 25 HG2 GLU 25 35.284 4.475 6.671
192 HG3 GLU 25 HG3 GLU 25 36.185 3.303 5.712
193 H ALA 26 H ALA 26 34.265 7.692 2.927
194 HA ALA 26 HA ALA 26 36.563 8.148 1.313
195 HB1 ALA 26 HB1 ALA 26 33.862 9.518 1.251
196 HB2 ALA 26 HB2 ALA 26 34.282 8.041 0.385
197 HB3 ALA 26 HB3 ALA 26 35.069 9.562 -0.033
198 H GLU 27 H GLU 27 35.035 9.918 3.894
199 HA GLU 27 HA GLU 27 36.359 12.422 3.330
200 HB2 GLU 27 HB2 GLU 27 34.771 11.395 5.686
201 HB3 GLU 27 HB3 GLU 27 35.510 12.997 5.656
202 HG2 GLU 27 HG2 GLU 27 34.161 12.693 3.184
203 HG3 GLU 27 HG3 GLU 27 33.051 12.126 4.430
204 H ASN 28 H ASN 28 37.488 9.524 4.405
205 HA ASN 28 HA ASN 28 38.956 9.647 6.613
206 HB2 ASN 28 HB2 ASN 28 40.855 8.561 5.395
207 HB3 ASN 28 HB3 ASN 28 39.285 7.839 5.045
208 HD21 ASN 28 HD21 ASN 28 38.820 7.597 2.856
209 HD22 ASN 28 HD22 ASN 28 39.562 8.473 1.605
Start of MODEL 19
1 H1 ACE 0 H1 ACE 0 19.933 -20.772 8.817
2 H2 ACE 0 H2 ACE 0 20.067 -19.705 10.216
3 H3 ACE 0 H3 ACE 0 21.508 -20.482 9.557
4 H SER 1 H SER 1 19.903 -17.622 9.704
5 HA SER 1 HA SER 1 20.229 -15.610 8.645
6 HB2 SER 1 HB2 SER 1 22.601 -16.521 8.387
7 HB3 SER 1 HB3 SER 1 22.126 -17.009 6.763
8 HG SER 1 HG SER 1 21.385 -14.713 6.602
9 H ASP 2 H ASP 2 19.865 -18.448 6.597
10 HA ASP 2 HA ASP 2 19.001 -17.322 4.228
11 HB2 ASP 2 HB2 ASP 2 19.237 -19.649 4.200
12 HB3 ASP 2 HB3 ASP 2 18.260 -19.863 5.651
13 H ALA 3 H ALA 3 17.215 -17.792 7.228
14 HA ALA 3 HA ALA 3 14.630 -17.204 6.307
15 HB1 ALA 3 HB1 ALA 3 16.001 -16.980 8.967
16 HB2 ALA 3 HB2 ALA 3 14.709 -18.073 8.469
17 HB3 ALA 3 HB3 ALA 3 14.359 -16.370 8.764
18 H ALA 4 H ALA 4 17.370 -15.170 6.706
19 HA ALA 4 HA ALA 4 16.316 -12.698 7.329
20 HB1 ALA 4 HB1 ALA 4 18.752 -13.317 6.879
21 HB2 ALA 4 HB2 ALA 4 18.225 -11.735 6.309
22 HB3 ALA 4 HB3 ALA 4 18.388 -13.071 5.171
23 H VAL 5 H VAL 5 15.776 -14.575 4.498
24 HA VAL 5 HA VAL 5 15.157 -12.609 2.611
25 HB VAL 5 HB VAL 5 15.375 -15.090 2.193
26 HG11 VAL 5 HG11 VAL 5 13.835 -15.675 4.130
27 HG12 VAL 5 HG12 VAL 5 13.495 -16.520 2.620
28 HG13 VAL 5 HG13 VAL 5 12.490 -15.157 3.113
29 HG21 VAL 5 HG21 VAL 5 14.108 -13.216 0.758
30 HG22 VAL 5 HG22 VAL 5 12.719 -14.242 1.114
31 HG23 VAL 5 HG23 VAL 5 14.114 -14.909 0.265
32 H ASP 6 H ASP 6 13.223 -14.075 5.180
33 HA ASP 6 HA ASP 6 10.731 -12.959 4.475
34 HB2 ASP 6 HB2 ASP 6 11.457 -14.678 6.380
35 HB3 ASP 6 HB3 ASP 6 11.480 -13.211 7.356
36 H THR 7 H THR 7 13.463 -11.767 6.331
37 HA THR 7 HA THR 7 12.328 -9.355 7.257
38 HB THR 7 HB THR 7 15.105 -8.978 6.697
39 HG1 THR 7 HG1 THR 7 14.741 -11.339 8.136
40 HG21 THR 7 HG21 THR 7 13.524 -9.642 9.191
41 HG22 THR 7 HG22 THR 7 14.010 -8.042 8.631
42 HG23 THR 7 HG23 THR 7 15.226 -9.182 9.208
43 H SER 8 H SER 8 13.898 -10.287 4.238
44 HA SER 8 HA SER 8 14.442 -7.909 3.016
45 HB2 SER 8 HB2 SER 8 12.921 -10.145 1.660
46 HB3 SER 8 HB3 SER 8 13.967 -8.955 0.892
47 HG SER 8 HG SER 8 15.641 -10.088 1.473
48 H SER 9 H SER 9 11.342 -9.081 3.985
49 HA SER 9 HA SER 9 9.614 -7.647 2.334
50 HB2 SER 9 HB2 SER 9 8.061 -7.685 4.328
51 HB3 SER 9 HB3 SER 9 8.710 -9.254 3.861
52 HG SER 9 HG SER 9 8.825 -8.240 6.207
53 H GLU 10 H GLU 10 11.511 -6.605 5.103
54 HA GLU 10 HA GLU 10 10.304 -4.113 5.576
55 HB2 GLU 10 HB2 GLU 10 12.030 -5.257 7.020
56 HB3 GLU 10 HB3 GLU 10 13.250 -4.740 5.855
57 HG2 GLU 10 HG2 GLU 10 13.069 -2.519 6.438
58 HG3 GLU 10 HG3 GLU 10 11.369 -2.663 6.882
59 H ILE 11 H ILE 11 12.133 -5.237 2.936
60 HA ILE 11 HA ILE 11 12.357 -4.128 0.881
61 HB ILE 11 HB ILE 11 10.960 -2.191 2.084
62 HG12 ILE 11 HG12 ILE 11 11.607 -0.765 0.024
63 HG13 ILE 11 HG13 ILE 11 12.690 -2.095 -0.388
64 HG21 ILE 11 HG21 ILE 11 13.335 -1.511 3.126
65 HG22 ILE 11 HG22 ILE 11 12.161 -0.288 2.644
66 HG23 ILE 11 HG23 ILE 11 13.502 -0.693 1.573
67 HD11 ILE 11 HD11 ILE 11 9.814 -2.669 0.276
68 HD12 ILE 11 HD12 ILE 11 10.931 -3.600 -0.722
69 HD13 ILE 11 HD13 ILE 11 10.245 -2.095 -1.336
70 H THR 12 H THR 12 14.223 -3.459 -0.194
71 HA THR 12 HA THR 12 16.611 -3.358 1.534
72 HB THR 12 HB THR 12 16.960 -5.169 0.137
73 HG1 THR 12 HG1 THR 12 17.827 -2.916 -1.350
74 HG21 THR 12 HG21 THR 12 16.281 -5.097 -2.310
75 HG22 THR 12 HG22 THR 12 15.452 -3.583 -1.951
76 HG23 THR 12 HG23 THR 12 14.946 -5.075 -1.159
77 H THR 13 H THR 13 14.641 -1.221 0.223
78 HA THR 13 HA THR 13 16.324 0.400 -1.402
79 HB THR 13 HB THR 13 13.964 1.327 0.243
80 HG1 THR 13 HG1 THR 13 14.012 0.249 -2.378
81 HG21 THR 13 HG21 THR 13 14.859 3.248 -0.673
82 HG22 THR 13 HG22 THR 13 13.841 2.730 -2.016
83 HG23 THR 13 HG23 THR 13 15.571 2.389 -2.039
84 H LYS 14 H LYS 14 15.234 0.817 1.977
85 HA LYS 14 HA LYS 14 17.027 2.956 2.511
86 HB2 LYS 14 HB2 LYS 14 15.152 1.280 4.062
87 HB3 LYS 14 HB3 LYS 14 16.514 1.923 4.979
88 HG2 LYS 14 HG2 LYS 14 14.926 3.713 3.149
89 HG3 LYS 14 HG3 LYS 14 14.362 3.378 4.786
90 HD2 LYS 14 HD2 LYS 14 16.433 4.231 5.729
91 HD3 LYS 14 HD3 LYS 14 17.120 4.444 4.120
92 HE2 LYS 14 HE2 LYS 14 16.114 6.443 3.876
93 HE3 LYS 14 HE3 LYS 14 14.547 5.769 4.322
94 HZ1 LYS 14 HZ1 LYS 14 14.719 6.702 6.307
95 HZ2 LYS 14 HZ2 LYS 14 16.184 7.426 5.840
96 HZ3 LYS 14 HZ3 LYS 14 16.189 5.908 6.603
97 H ASP 15 H ASP 15 17.231 -0.536 2.810
98 HA ASP 15 HA ASP 15 19.562 -0.699 4.389
99 HB2 ASP 15 HB2 ASP 15 17.859 -2.493 3.117
100 HB3 ASP 15 HB3 ASP 15 19.416 -2.746 2.333
101 H LEU 16 H LEU 16 19.021 -0.163 0.967
102 HA LEU 16 HA LEU 16 21.588 -0.569 -0.046
103 HB2 LEU 16 HB2 LEU 16 19.159 0.600 -0.948
104 HB3 LEU 16 HB3 LEU 16 20.432 1.786 -1.229
105 HG LEU 16 HG LEU 16 20.676 -1.122 -2.040
106 HD11 LEU 16 HD11 LEU 16 18.776 0.063 -3.196
107 HD12 LEU 16 HD12 LEU 16 20.065 -0.449 -4.285
108 HD13 LEU 16 HD13 LEU 16 19.944 1.240 -3.795
109 HD21 LEU 16 HD21 LEU 16 22.353 1.314 -2.201
110 HD22 LEU 16 HD22 LEU 16 22.268 0.367 -3.687
111 HD23 LEU 16 HD23 LEU 16 22.833 -0.384 -2.195
112 H LYS 17 H LYS 17 20.219 1.936 1.906
113 HA LYS 17 HA LYS 17 22.058 4.011 1.576
114 HB2 LYS 17 HB2 LYS 17 19.913 4.062 2.925
115 HB3 LYS 17 HB3 LYS 17 20.799 3.240 4.211
116 HG2 LYS 17 HG2 LYS 17 22.526 5.269 3.568
117 HG3 LYS 17 HG3 LYS 17 20.961 6.043 3.314
118 HD2 LYS 17 HD2 LYS 17 20.248 5.371 5.574
119 HD3 LYS 17 HD3 LYS 17 21.803 4.577 5.832
120 HE2 LYS 17 HE2 LYS 17 22.676 6.532 6.517
121 HE3 LYS 17 HE3 LYS 17 22.339 7.227 4.932
122 HZ1 LYS 17 HZ1 LYS 17 21.114 7.834 7.350
123 HZ2 LYS 17 HZ2 LYS 17 19.947 7.043 6.403
124 HZ3 LYS 17 HZ3 LYS 17 20.727 8.433 5.812
125 H GLU 18 H GLU 18 22.292 1.010 3.375
126 HA GLU 18 HA GLU 18 24.464 1.565 5.032
127 HB2 GLU 18 HB2 GLU 18 23.502 -0.943 3.680
128 HB3 GLU 18 HB3 GLU 18 24.994 -0.951 4.622
129 HG2 GLU 18 HG2 GLU 18 23.866 -0.911 6.573
130 HG3 GLU 18 HG3 GLU 18 22.847 0.422 6.030
131 H LYS 19 H LYS 19 24.346 0.691 1.621
132 HA LYS 19 HA LYS 19 27.153 0.404 1.257
133 HB2 LYS 19 HB2 LYS 19 25.454 -0.476 -0.335
134 HB3 LYS 19 HB3 LYS 19 25.054 1.183 -0.785
135 HG2 LYS 19 HG2 LYS 19 27.677 1.351 -1.171
136 HG3 LYS 19 HG3 LYS 19 27.528 -0.396 -1.373
137 HD2 LYS 19 HD2 LYS 19 25.600 0.113 -2.988
138 HD3 LYS 19 HD3 LYS 19 26.167 1.783 -2.962
139 HE2 LYS 19 HE2 LYS 19 28.479 0.232 -3.345
140 HE3 LYS 19 HE3 LYS 19 27.259 -0.491 -4.392
141 HZ1 LYS 19 HZ1 LYS 19 27.944 2.397 -4.300
142 HZ2 LYS 19 HZ2 LYS 19 26.811 1.670 -5.336
143 HZ3 LYS 19 HZ3 LYS 19 28.462 1.306 -5.491
144 H LYS 20 H LYS 20 24.926 3.115 1.193
145 HA LYS 20 HA LYS 20 26.760 5.010 0.077
146 HB2 LYS 20 HB2 LYS 20 24.054 5.036 1.232
147 HB3 LYS 20 HB3 LYS 20 24.985 6.496 1.564
148 HG2 LYS 20 HG2 LYS 20 23.871 6.883 -0.517
149 HG3 LYS 20 HG3 LYS 20 25.553 6.546 -0.924
150 HD2 LYS 20 HD2 LYS 20 24.893 4.824 -2.210
151 HD3 LYS 20 HD3 LYS 20 24.176 4.049 -0.799
152 HE2 LYS 20 HE2 LYS 20 22.407 4.322 -2.398
153 HE3 LYS 20 HE3 LYS 20 22.149 5.538 -1.147
154 HZ1 LYS 20 HZ1 LYS 20 22.549 7.197 -2.567
155 HZ2 LYS 20 HZ2 LYS 20 22.265 6.049 -3.786
156 HZ3 LYS 20 HZ3 LYS 20 23.855 6.404 -3.303
157 H GLU 21 H GLU 21 25.893 3.932 3.306
158 HA GLU 21 HA GLU 21 27.160 5.867 4.860
159 HB2 GLU 21 HB2 GLU 21 26.702 2.915 5.286
160 HB3 GLU 21 HB3 GLU 21 27.457 3.933 6.513
161 HG2 GLU 21 HG2 GLU 21 25.476 5.441 6.434
162 HG3 GLU 21 HG3 GLU 21 24.713 4.337 5.290
163 H VAL 22 H VAL 22 28.465 3.105 3.117
164 HA VAL 22 HA VAL 22 31.015 2.992 4.259
165 HB VAL 22 HB VAL 22 29.669 1.832 2.034
166 HG11 VAL 22 HG11 VAL 22 31.462 1.763 0.359
167 HG12 VAL 22 HG12 VAL 22 32.441 2.855 1.340
168 HG13 VAL 22 HG13 VAL 22 30.937 3.427 0.617
169 HG21 VAL 22 HG21 VAL 22 32.442 1.202 3.067
170 HG22 VAL 22 HG22 VAL 22 31.279 0.086 2.354
171 HG23 VAL 22 HG23 VAL 22 30.974 0.778 3.948
172 H VAL 23 H VAL 23 29.676 5.136 1.813
173 HA VAL 23 HA VAL 23 32.059 6.283 0.871
174 HB VAL 23 HB VAL 23 29.391 7.666 1.220
175 HG11 VAL 23 HG11 VAL 23 30.697 9.378 0.456
176 HG12 VAL 23 HG12 VAL 23 30.481 8.576 -1.098
177 HG13 VAL 23 HG13 VAL 23 31.943 8.290 -0.155
178 HG21 VAL 23 HG21 VAL 23 30.345 6.217 -1.251
179 HG22 VAL 23 HG22 VAL 23 28.709 6.729 -0.840
180 HG23 VAL 23 HG23 VAL 23 29.447 5.372 0.009
181 H GLU 24 H GLU 24 30.464 6.582 3.910
182 HA GLU 24 HA GLU 24 31.226 9.128 4.753
183 HB2 GLU 24 HB2 GLU 24 30.933 6.540 6.279
184 HB3 GLU 24 HB3 GLU 24 31.250 8.087 7.064
185 HG2 GLU 24 HG2 GLU 24 29.190 9.004 6.363
186 HG3 GLU 24 HG3 GLU 24 28.962 7.767 5.126
187 H GLU 25 H GLU 25 33.047 6.117 4.651
188 HA GLU 25 HA GLU 25 35.301 6.907 6.121
189 HB2 GLU 25 HB2 GLU 25 35.194 5.051 3.727
190 HB3 GLU 25 HB3 GLU 25 36.484 5.124 4.930
191 HG2 GLU 25 HG2 GLU 25 33.588 4.497 5.569
192 HG3 GLU 25 HG3 GLU 25 34.846 3.280 5.360
193 H ALA 26 H ALA 26 34.097 8.010 3.157
194 HA ALA 26 HA ALA 26 36.405 8.657 1.711
195 HB1 ALA 26 HB1 ALA 26 35.019 10.390 0.635
196 HB2 ALA 26 HB2 ALA 26 33.798 10.187 1.891
197 HB3 ALA 26 HB3 ALA 26 34.146 8.864 0.778
198 H GLU 27 H GLU 27 34.951 10.163 4.509
199 HA GLU 27 HA GLU 27 36.402 12.625 4.350
200 HB2 GLU 27 HB2 GLU 27 34.380 11.493 6.009
201 HB3 GLU 27 HB3 GLU 27 35.707 12.003 7.054
202 HG2 GLU 27 HG2 GLU 27 34.109 13.846 6.702
203 HG3 GLU 27 HG3 GLU 27 35.681 14.234 6.005
204 H ASN 28 H ASN 28 37.010 9.463 5.714
205 HA ASN 28 HA ASN 28 38.813 8.570 6.828
206 HB2 ASN 28 HB2 ASN 28 39.767 9.251 4.561
207 HB3 ASN 28 HB3 ASN 28 40.434 10.663 5.379
208 HD21 ASN 28 HD21 ASN 28 42.660 9.928 5.129
209 HD22 ASN 28 HD22 ASN 28 43.258 8.601 6.002
Start of MODEL 20
1 H1 ACE 0 H1 ACE 0 -3.473 1.460 11.191
2 H2 ACE 0 H2 ACE 0 -2.427 0.879 9.897
3 H3 ACE 0 H3 ACE 0 -2.571 2.609 10.203
4 H SER 1 H SER 1 -1.231 -0.423 11.360
5 HA SER 1 HA SER 1 0.958 0.970 12.632
6 HB2 SER 1 HB2 SER 1 -0.443 1.143 14.518
7 HB3 SER 1 HB3 SER 1 -1.148 -0.449 14.250
8 HG SER 1 HG SER 1 1.603 -0.358 14.581
9 H ASP 2 H ASP 2 -0.177 -2.140 13.747
10 HA ASP 2 HA ASP 2 2.183 -3.510 13.307
11 HB2 ASP 2 HB2 ASP 2 0.121 -5.398 12.948
12 HB3 ASP 2 HB3 ASP 2 0.981 -5.018 14.438
13 H ALA 3 H ALA 3 -0.478 -2.918 11.090
14 HA ALA 3 HA ALA 3 0.208 -4.744 9.069
15 HB1 ALA 3 HB1 ALA 3 -1.321 -2.178 9.173
16 HB2 ALA 3 HB2 ALA 3 -1.864 -3.791 8.711
17 HB3 ALA 3 HB3 ALA 3 -0.885 -2.836 7.596
18 H ALA 4 H ALA 4 1.775 -1.881 10.123
19 HA ALA 4 HA ALA 4 2.982 -0.801 7.918
20 HB1 ALA 4 HB1 ALA 4 5.029 -0.515 9.457
21 HB2 ALA 4 HB2 ALA 4 4.064 -1.342 10.679
22 HB3 ALA 4 HB3 ALA 4 3.503 0.184 9.999
23 H VAL 5 H VAL 5 3.549 -3.919 9.353
24 HA VAL 5 HA VAL 5 5.992 -4.700 8.463
25 HB VAL 5 HB VAL 5 4.565 -6.220 9.709
26 HG11 VAL 5 HG11 VAL 5 2.730 -7.401 8.270
27 HG12 VAL 5 HG12 VAL 5 2.815 -5.948 7.277
28 HG13 VAL 5 HG13 VAL 5 2.373 -5.826 8.980
29 HG21 VAL 5 HG21 VAL 5 6.166 -6.912 7.551
30 HG22 VAL 5 HG22 VAL 5 4.682 -7.815 7.253
31 HG23 VAL 5 HG23 VAL 5 5.555 -8.030 8.770
32 H ASP 6 H ASP 6 3.097 -4.133 6.561
33 HA ASP 6 HA ASP 6 3.917 -5.342 4.154
34 HB2 ASP 6 HB2 ASP 6 1.953 -3.287 4.954
35 HB3 ASP 6 HB3 ASP 6 2.532 -3.147 3.294
36 H THR 7 H THR 7 4.549 -2.199 5.594
37 HA THR 7 HA THR 7 5.987 -1.054 3.442
38 HB THR 7 HB THR 7 6.144 -0.567 6.428
39 HG1 THR 7 HG1 THR 7 4.568 0.760 6.052
40 HG21 THR 7 HG21 THR 7 7.332 1.511 5.825
41 HG22 THR 7 HG22 THR 7 7.340 1.011 4.133
42 HG23 THR 7 HG23 THR 7 8.248 0.088 5.331
43 H SER 8 H SER 8 6.851 -3.168 6.123
44 HA SER 8 HA SER 8 9.649 -3.063 5.919
45 HB2 SER 8 HB2 SER 8 9.677 -4.989 7.255
46 HB3 SER 8 HB3 SER 8 8.141 -4.235 7.670
47 HG SER 8 HG SER 8 7.801 -6.408 7.230
48 H SER 9 H SER 9 7.328 -4.413 3.780
49 HA SER 9 HA SER 9 8.864 -6.472 2.599
50 HB2 SER 9 HB2 SER 9 7.167 -6.625 1.041
51 HB3 SER 9 HB3 SER 9 6.322 -5.801 2.348
52 HG SER 9 HG SER 9 7.710 -4.402 0.318
53 H GLU 10 H GLU 10 8.811 -3.001 2.134
54 HA GLU 10 HA GLU 10 10.188 -2.958 -0.360
55 HB2 GLU 10 HB2 GLU 10 8.857 -1.081 0.942
56 HB3 GLU 10 HB3 GLU 10 10.454 -0.720 1.601
57 HG2 GLU 10 HG2 GLU 10 11.323 -0.673 -0.772
58 HG3 GLU 10 HG3 GLU 10 9.650 -0.783 -1.318
59 H ILE 11 H ILE 11 11.211 -3.027 2.992
60 HA ILE 11 HA ILE 11 13.657 -2.257 3.335
61 HB ILE 11 HB ILE 11 12.481 -4.002 4.721
62 HG12 ILE 11 HG12 ILE 11 15.081 -5.191 4.745
63 HG13 ILE 11 HG13 ILE 11 15.275 -3.480 4.358
64 HG21 ILE 11 HG21 ILE 11 14.005 -6.145 3.371
65 HG22 ILE 11 HG22 ILE 11 12.624 -5.530 2.463
66 HG23 ILE 11 HG23 ILE 11 12.392 -6.186 4.084
67 HD11 ILE 11 HD11 ILE 11 15.291 -3.553 6.729
68 HD12 ILE 11 HD12 ILE 11 13.960 -4.710 6.782
69 HD13 ILE 11 HD13 ILE 11 13.657 -3.037 6.314
70 H THR 12 H THR 12 14.466 -1.747 1.189
71 HA THR 12 HA THR 12 16.463 -3.644 0.353
72 HB THR 12 HB THR 12 14.226 -4.230 -0.874
73 HG1 THR 12 HG1 THR 12 16.408 -4.926 -1.376
74 HG21 THR 12 HG21 THR 12 13.826 -2.934 -2.890
75 HG22 THR 12 HG22 THR 12 15.203 -1.892 -2.537
76 HG23 THR 12 HG23 THR 12 13.775 -1.847 -1.503
77 H THR 13 H THR 13 14.686 -0.731 -0.612
78 HA THR 13 HA THR 13 17.008 0.481 -1.804
79 HB THR 13 HB THR 13 14.182 1.276 -1.272
80 HG1 THR 13 HG1 THR 13 15.589 2.068 -3.509
81 HG21 THR 13 HG21 THR 13 14.801 3.638 -1.981
82 HG22 THR 13 HG22 THR 13 16.475 3.220 -1.614
83 HG23 THR 13 HG23 THR 13 15.259 3.198 -0.336
84 H LYS 14 H LYS 14 15.508 0.323 1.307
85 HA LYS 14 HA LYS 14 16.894 2.551 2.476
86 HB2 LYS 14 HB2 LYS 14 14.774 0.873 3.214
87 HB3 LYS 14 HB3 LYS 14 16.058 0.516 4.369
88 HG2 LYS 14 HG2 LYS 14 16.230 2.821 5.017
89 HG3 LYS 14 HG3 LYS 14 15.189 3.334 3.689
90 HD2 LYS 14 HD2 LYS 14 13.264 2.639 4.745
91 HD3 LYS 14 HD3 LYS 14 14.079 1.321 5.588
92 HE2 LYS 14 HE2 LYS 14 14.511 4.246 6.248
93 HE3 LYS 14 HE3 LYS 14 13.352 3.216 7.089
94 HZ1 LYS 14 HZ1 LYS 14 16.006 3.481 7.682
95 HZ2 LYS 14 HZ2 LYS 14 15.920 1.991 6.871
96 HZ3 LYS 14 HZ3 LYS 14 14.968 2.266 8.251
97 H ASP 15 H ASP 15 17.307 -0.956 2.386
98 HA ASP 15 HA ASP 15 19.507 -1.185 4.119
99 HB2 ASP 15 HB2 ASP 15 18.282 -2.793 1.975
100 HB3 ASP 15 HB3 ASP 15 20.005 -3.080 2.210
101 H LEU 16 H LEU 16 19.210 -0.363 0.733
102 HA LEU 16 HA LEU 16 21.868 -0.414 -0.085
103 HB2 LEU 16 HB2 LEU 16 19.564 0.227 -1.291
104 HB3 LEU 16 HB3 LEU 16 20.152 1.857 -0.974
105 HG LEU 16 HG LEU 16 22.407 0.552 -1.941
106 HD11 LEU 16 HD11 LEU 16 21.814 -0.780 -3.780
107 HD12 LEU 16 HD12 LEU 16 20.166 -0.155 -3.825
108 HD13 LEU 16 HD13 LEU 16 20.648 -1.282 -2.557
109 HD21 LEU 16 HD21 LEU 16 20.314 2.301 -3.248
110 HD22 LEU 16 HD22 LEU 16 21.801 1.843 -4.076
111 HD23 LEU 16 HD23 LEU 16 21.876 2.785 -2.587
112 H LYS 17 H LYS 17 20.132 1.837 1.916
113 HA LYS 17 HA LYS 17 21.837 4.061 1.806
114 HB2 LYS 17 HB2 LYS 17 19.532 3.829 2.926
115 HB3 LYS 17 HB3 LYS 17 20.412 3.180 4.310
116 HG2 LYS 17 HG2 LYS 17 21.131 5.228 4.931
117 HG3 LYS 17 HG3 LYS 17 21.639 5.627 3.291
118 HD2 LYS 17 HD2 LYS 17 18.716 5.599 4.019
119 HD3 LYS 17 HD3 LYS 17 19.713 7.016 4.354
120 HE2 LYS 17 HE2 LYS 17 20.083 7.459 2.105
121 HE3 LYS 17 HE3 LYS 17 19.829 5.781 1.627
122 HZ1 LYS 17 HZ1 LYS 17 17.917 6.879 0.927
123 HZ2 LYS 17 HZ2 LYS 17 17.811 7.819 2.338
124 HZ3 LYS 17 HZ3 LYS 17 17.444 6.162 2.390
125 H GLU 18 H GLU 18 22.021 1.094 3.688
126 HA GLU 18 HA GLU 18 24.023 1.826 5.504
127 HB2 GLU 18 HB2 GLU 18 22.811 -0.648 4.557
128 HB3 GLU 18 HB3 GLU 18 24.523 -0.847 4.922
129 HG2 GLU 18 HG2 GLU 18 23.189 -1.266 6.932
130 HG3 GLU 18 HG3 GLU 18 24.151 0.196 7.143
131 H LYS 19 H LYS 19 24.254 0.552 2.212
132 HA LYS 19 HA LYS 19 27.089 0.310 2.176
133 HB2 LYS 19 HB2 LYS 19 24.894 0.251 0.173
134 HB3 LYS 19 HB3 LYS 19 26.512 0.612 -0.430
135 HG2 LYS 19 HG2 LYS 19 27.380 -1.421 0.666
136 HG3 LYS 19 HG3 LYS 19 25.762 -1.786 1.268
137 HD2 LYS 19 HD2 LYS 19 25.811 -3.074 -0.669
138 HD3 LYS 19 HD3 LYS 19 25.099 -1.579 -1.278
139 HE2 LYS 19 HE2 LYS 19 26.950 -2.414 -2.729
140 HE3 LYS 19 HE3 LYS 19 27.280 -0.813 -2.064
141 HZ1 LYS 19 HZ1 LYS 19 28.237 -3.345 -0.847
142 HZ2 LYS 19 HZ2 LYS 19 28.665 -1.764 -0.394
143 HZ3 LYS 19 HZ3 LYS 19 29.166 -2.388 -1.893
144 H LYS 20 H LYS 20 24.855 2.861 1.129
145 HA LYS 20 HA LYS 20 26.801 4.596 0.045
146 HB2 LYS 20 HB2 LYS 20 24.068 4.617 0.220
147 HB3 LYS 20 HB3 LYS 20 24.510 5.893 1.354
148 HG2 LYS 20 HG2 LYS 20 24.393 7.042 -0.692
149 HG3 LYS 20 HG3 LYS 20 26.116 6.694 -0.537
150 HD2 LYS 20 HD2 LYS 20 25.014 4.414 -1.762
151 HD3 LYS 20 HD3 LYS 20 24.244 5.785 -2.561
152 HE2 LYS 20 HE2 LYS 20 27.236 5.544 -2.142
153 HE3 LYS 20 HE3 LYS 20 26.410 5.073 -3.627
154 HZ1 LYS 20 HZ1 LYS 20 25.457 7.567 -3.114
155 HZ2 LYS 20 HZ2 LYS 20 26.670 7.180 -4.239
156 HZ3 LYS 20 HZ3 LYS 20 27.091 7.685 -2.672
157 H GLU 21 H GLU 21 25.725 3.967 3.306
158 HA GLU 21 HA GLU 21 26.694 6.261 4.599
159 HB2 GLU 21 HB2 GLU 21 25.817 3.582 5.359
160 HB3 GLU 21 HB3 GLU 21 27.108 4.187 6.397
161 HG2 GLU 21 HG2 GLU 21 25.862 6.090 7.037
162 HG3 GLU 21 HG3 GLU 21 24.736 5.909 5.693
163 H VAL 22 H VAL 22 28.316 3.315 3.542
164 HA VAL 22 HA VAL 22 30.730 3.589 4.926
165 HB VAL 22 HB VAL 22 30.122 2.422 2.206
166 HG11 VAL 22 HG11 VAL 22 32.685 2.927 3.571
167 HG12 VAL 22 HG12 VAL 22 32.367 2.553 1.877
168 HG13 VAL 22 HG13 VAL 22 32.456 1.253 3.064
169 HG21 VAL 22 HG21 VAL 22 29.735 1.558 4.906
170 HG22 VAL 22 HG22 VAL 22 30.999 0.556 4.195
171 HG23 VAL 22 HG23 VAL 22 29.417 0.660 3.422
172 H VAL 23 H VAL 23 29.484 5.322 2.173
173 HA VAL 23 HA VAL 23 31.826 6.320 1.039
174 HB VAL 23 HB VAL 23 29.130 7.653 1.371
175 HG11 VAL 23 HG11 VAL 23 31.675 8.557 0.168
176 HG12 VAL 23 HG12 VAL 23 30.286 9.502 0.708
177 HG13 VAL 23 HG13 VAL 23 30.263 8.724 -0.875
178 HG21 VAL 23 HG21 VAL 23 28.621 6.767 -0.769
179 HG22 VAL 23 HG22 VAL 23 29.403 5.431 0.075
180 HG23 VAL 23 HG23 VAL 23 30.310 6.381 -1.103
181 H GLU 24 H GLU 24 30.145 7.279 3.972
182 HA GLU 24 HA GLU 24 31.314 9.751 4.477
183 HB2 GLU 24 HB2 GLU 24 29.968 7.697 6.016
184 HB3 GLU 24 HB3 GLU 24 31.263 8.440 6.952
185 HG2 GLU 24 HG2 GLU 24 30.359 10.655 6.547
186 HG3 GLU 24 HG3 GLU 24 29.144 10.000 5.449
187 H GLU 25 H GLU 25 32.578 6.500 4.932
188 HA GLU 25 HA GLU 25 34.872 7.044 6.408
189 HB2 GLU 25 HB2 GLU 25 34.417 5.019 4.206
190 HB3 GLU 25 HB3 GLU 25 35.834 5.030 5.255
191 HG2 GLU 25 HG2 GLU 25 34.422 4.760 7.228
192 HG3 GLU 25 HG3 GLU 25 32.969 4.853 6.233
193 H ALA 26 H ALA 26 34.011 7.999 3.255
194 HA ALA 26 HA ALA 26 36.430 8.163 1.901
195 HB1 ALA 26 HB1 ALA 26 34.370 8.716 0.779
196 HB2 ALA 26 HB2 ALA 26 35.411 10.138 0.732
197 HB3 ALA 26 HB3 ALA 26 34.075 10.060 1.882
198 H GLU 27 H GLU 27 35.139 10.213 4.441
199 HA GLU 27 HA GLU 27 36.739 12.446 4.304
200 HB2 GLU 27 HB2 GLU 27 34.956 12.103 5.987
201 HB3 GLU 27 HB3 GLU 27 35.992 10.949 6.829
202 HG2 GLU 27 HG2 GLU 27 37.450 12.586 7.573
203 HG3 GLU 27 HG3 GLU 27 37.095 13.662 6.223
204 H ASN 28 H ASN 28 37.682 9.199 4.939
205 HA ASN 28 HA ASN 28 40.436 10.122 5.483
206 HB2 ASN 28 HB2 ASN 28 40.518 7.815 6.780
207 HB3 ASN 28 HB3 ASN 28 39.955 9.285 7.574
208 HD21 ASN 28 HD21 ASN 28 37.831 9.268 8.384
209 HD22 ASN 28 HD22 ASN 28 36.700 8.042 8.068