Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
574638 | 2lzq RC | 18769 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ARG 1 HA ARG 1 -16.324 0.164 -5.340
2 HB2 ARG 1 HB2 ARG 1 -17.644 -1.123 -7.126
3 HB3 ARG 1 HB3 ARG 1 -18.772 -1.553 -5.841
4 HG2 ARG 1 HG2 ARG 1 -19.213 0.805 -5.384
5 HG3 ARG 1 HG3 ARG 1 -18.008 1.289 -6.579
6 HD2 ARG 1 HD2 ARG 1 -19.326 0.299 -8.382
7 HD3 ARG 1 HD3 ARG 1 -20.503 -0.333 -7.214
8 HE ARG 1 HE ARG 1 -20.000 2.594 -7.637
9 HH11 ARG 1 HH11 ARG 1 -21.349 2.007 -5.085
10 HH12 ARG 1 HH12 ARG 1 -23.027 2.028 -5.511
11 HH21 ARG 1 HH21 ARG 1 -22.431 1.713 -8.922
12 HH22 ARG 1 HH22 ARG 1 -23.643 1.861 -7.694
13 H SER 2 H SER 2 -15.689 -0.246 -2.948
14 HA SER 2 HA SER 2 -18.097 0.080 -1.277
15 HB2 SER 2 HB2 SER 2 -17.095 -2.463 -1.699
16 HB3 SER 2 HB3 SER 2 -16.298 -1.989 -0.201
17 HG SER 2 HG SER 2 -19.010 -2.354 -0.773
18 H ALA 3 H ALA 3 -17.538 0.890 0.869
19 HA ALA 3 HA ALA 3 -15.281 2.657 0.957
20 HB1 ALA 3 HB1 ALA 3 -16.027 2.940 3.319
21 HB2 ALA 3 HB2 ALA 3 -17.074 1.534 3.131
22 HB3 ALA 3 HB3 ALA 3 -17.377 2.990 2.185
23 H LEU 4 H LEU 4 -15.724 -0.662 2.117
24 HA LEU 4 HA LEU 4 -13.045 -0.606 3.428
25 HB2 LEU 4 HB2 LEU 4 -13.819 -2.692 4.456
26 HB3 LEU 4 HB3 LEU 4 -15.060 -1.454 4.629
27 HG LEU 4 HG LEU 4 -15.566 -2.720 2.148
28 HD11 LEU 4 HD11 LEU 4 -15.725 -5.063 2.696
29 HD12 LEU 4 HD12 LEU 4 -15.235 -4.759 4.363
30 HD13 LEU 4 HD13 LEU 4 -14.075 -4.549 3.052
31 HD21 LEU 4 HD21 LEU 4 -17.143 -1.743 3.899
32 HD22 LEU 4 HD22 LEU 4 -16.957 -3.257 4.784
33 HD23 LEU 4 HD23 LEU 4 -17.666 -3.260 3.170
34 H VAL 5 H VAL 5 -14.036 -1.082 0.350
35 HA VAL 5 HA VAL 5 -12.366 -3.517 -0.120
36 HB VAL 5 HB VAL 5 -14.517 -2.060 -1.681
37 HG11 VAL 5 HG11 VAL 5 -14.158 -4.078 -3.295
38 HG12 VAL 5 HG12 VAL 5 -12.549 -4.159 -2.580
39 HG13 VAL 5 HG13 VAL 5 -13.066 -2.698 -3.421
40 HG21 VAL 5 HG21 VAL 5 -15.701 -4.189 -1.459
41 HG22 VAL 5 HG22 VAL 5 -15.184 -3.645 0.137
42 HG23 VAL 5 HG23 VAL 5 -14.292 -4.922 -0.692
43 H ASN 6 H ASN 6 -12.995 -0.352 -1.728
44 HA ASN 6 HA ASN 6 -10.601 -0.358 -3.304
45 HB2 ASN 6 HB2 ASN 6 -12.834 1.081 -3.303
46 HB3 ASN 6 HB3 ASN 6 -11.878 2.173 -2.301
47 HD21 ASN 6 HD21 ASN 6 -12.349 3.507 -4.475
48 HD22 ASN 6 HD22 ASN 6 -11.141 3.392 -5.661
49 H SER 7 H SER 7 -11.288 1.021 -0.065
50 HA SER 7 HA SER 7 -8.801 2.371 0.333
51 HB2 SER 7 HB2 SER 7 -11.018 2.327 1.701
52 HB3 SER 7 HB3 SER 7 -10.335 0.907 2.488
53 HG SER 7 HG SER 7 -9.469 2.424 3.703
54 H TYR 8 H TYR 8 -9.784 -0.985 1.117
55 HA TYR 8 HA TYR 8 -7.252 -1.813 2.213
56 HB2 TYR 8 HB2 TYR 8 -9.088 -3.183 2.727
57 HB3 TYR 8 HB3 TYR 8 -9.727 -3.107 1.087
58 HD1 TYR 8 HD1 TYR 8 -6.685 -4.319 2.933
59 HD2 TYR 8 HD2 TYR 8 -9.432 -4.950 -0.309
60 HE1 TYR 8 HE2 TYR 8 -5.545 -6.450 2.380
61 HE2 TYR 8 HE1 TYR 8 -8.292 -7.080 -0.861
62 HH TYR 8 HH TYR 8 -6.499 -8.751 1.045
63 H LEU 9 H LEU 9 -8.656 -1.960 -1.067
64 HA LEU 9 HA LEU 9 -6.527 -3.381 -2.349
65 HB2 LEU 9 HB2 LEU 9 -8.930 -1.863 -3.010
66 HB3 LEU 9 HB3 LEU 9 -7.658 -1.579 -4.194
67 HG LEU 9 HG LEU 9 -9.051 -3.515 -4.833
68 HD11 LEU 9 HD11 LEU 9 -7.272 -4.961 -5.398
69 HD12 LEU 9 HD12 LEU 9 -6.387 -4.593 -3.918
70 HD13 LEU 9 HD13 LEU 9 -6.492 -3.391 -5.203
71 HD21 LEU 9 HD21 LEU 9 -9.302 -5.428 -3.466
72 HD22 LEU 9 HD22 LEU 9 -9.501 -4.083 -2.344
73 HD23 LEU 9 HD23 LEU 9 -7.970 -4.956 -2.411
74 H TRP 10 H TRP 10 -7.121 0.132 -1.973
75 HA TRP 10 HA TRP 10 -4.719 0.993 -3.321
76 HB2 TRP 10 HB2 TRP 10 -6.390 2.621 -3.116
77 HB3 TRP 10 HB3 TRP 10 -6.781 2.153 -1.462
78 HD1 TRP 10 HD1 TRP 10 -4.032 3.979 -3.456
79 HE1 TRP 10 HE1 TRP 10 -2.840 5.628 -1.870
80 HE3 TRP 10 HE3 TRP 10 -6.341 2.797 0.941
81 HZ2 TRP 10 HZ2 TRP 10 -2.867 6.348 0.899
82 HZ3 TRP 10 HZ3 TRP 10 -5.740 3.977 3.034
83 HH2 TRP 10 HH2 TRP 10 -4.009 5.750 3.019
84 H GLN 11 H GLN 11 -5.519 0.530 0.149
85 HA GLN 11 HA GLN 11 -3.072 1.346 1.305
86 HB2 GLN 11 HB2 GLN 11 -5.264 0.677 2.406
87 HB3 GLN 11 HB3 GLN 11 -4.795 -1.005 2.156
88 HG2 GLN 11 HG2 GLN 11 -2.757 -0.652 3.489
89 HG3 GLN 11 HG3 GLN 11 -3.186 1.045 3.713
90 HE21 GLN 11 HE21 GLN 11 -4.186 1.421 5.696
91 HE22 GLN 11 HE22 GLN 11 -5.160 0.305 6.526
92 H ARG 12 H ARG 12 -3.966 -1.800 -0.119
93 HA ARG 12 HA ARG 12 -1.557 -3.211 0.589
94 HB2 ARG 12 HB2 ARG 12 -3.869 -4.034 -0.239
95 HB3 ARG 12 HB3 ARG 12 -3.268 -3.682 -1.859
96 HG2 ARG 12 HG2 ARG 12 -1.345 -5.194 -0.244
97 HG3 ARG 12 HG3 ARG 12 -2.868 -6.053 -0.471
98 HD2 ARG 12 HD2 ARG 12 -1.292 -4.797 -2.749
99 HD3 ARG 12 HD3 ARG 12 -1.201 -6.513 -2.304
100 HE ARG 12 HE ARG 12 -3.416 -5.256 -3.696
101 HH11 ARG 12 HH11 ARG 12 -2.590 -8.181 -3.815
102 HH12 ARG 12 HH12 ARG 12 -3.941 -8.948 -3.047
103 HH21 ARG 12 HH21 ARG 12 -5.153 -6.001 -1.652
104 HH22 ARG 12 HH22 ARG 12 -5.400 -7.708 -1.816
105 H TRP 13 H TRP 13 -2.472 -1.269 -2.270
106 HA TRP 13 HA TRP 13 -0.185 -1.860 -3.881
107 HB2 TRP 13 HB2 TRP 13 -1.456 -0.599 -5.266
108 HB3 TRP 13 HB3 TRP 13 -2.516 -0.218 -3.916
109 HD1 TRP 13 HD1 TRP 13 -2.697 2.237 -3.336
110 HE1 TRP 13 HE1 TRP 13 -1.310 4.359 -3.799
111 HE3 TRP 13 HE3 TRP 13 1.324 0.164 -5.706
112 HZ2 TRP 13 HZ2 TRP 13 1.178 5.082 -5.014
113 HZ3 TRP 13 HZ3 TRP 13 3.184 1.591 -6.507
114 HH2 TRP 13 HH2 TRP 13 3.117 4.045 -6.163
115 H GLU 14 H GLU 14 -0.742 0.750 -1.488
116 HA GLU 14 HA GLU 14 1.908 1.904 -1.813
117 HB2 GLU 14 HB2 GLU 14 -0.435 2.154 0.045
118 HB3 GLU 14 HB3 GLU 14 1.104 2.865 0.535
119 HG2 GLU 14 HG2 GLU 14 1.037 3.776 -1.985
120 HG3 GLU 14 HG3 GLU 14 -0.699 3.615 -1.720
121 H ASN 15 H ASN 15 0.432 -0.421 0.458
122 HA ASN 15 HA ASN 15 2.526 -0.703 2.335
123 HB2 ASN 15 HB2 ASN 15 0.181 -1.749 2.243
124 HB3 ASN 15 HB3 ASN 15 0.881 -2.976 1.186
125 HD21 ASN 15 HD21 ASN 15 2.902 -4.125 2.153
126 HD22 ASN 15 HD22 ASN 15 2.897 -4.407 3.826
127 H TRP 16 H TRP 16 2.077 -2.423 -0.786
128 HA TRP 16 HA TRP 16 4.526 -3.947 -0.621
129 HB2 TRP 16 HB2 TRP 16 2.935 -4.766 -2.140
130 HB3 TRP 16 HB3 TRP 16 2.528 -3.157 -2.732
131 HD1 TRP 16 HD1 TRP 16 5.378 -5.748 -2.923
132 HE1 TRP 16 HE1 TRP 16 6.668 -5.374 -5.122
133 HE3 TRP 16 HE3 TRP 16 3.013 -1.555 -4.629
134 HZ2 TRP 16 HZ2 TRP 16 6.696 -3.539 -7.313
135 HZ3 TRP 16 HZ3 TRP 16 3.694 -0.516 -6.774
136 HH2 TRP 16 HH2 TRP 16 5.530 -1.501 -8.116
137 H PHE 17 H PHE 17 3.664 -0.870 -2.229
138 HA PHE 17 HA PHE 17 6.144 -0.279 -3.463
139 HB2 PHE 17 HB2 PHE 17 4.204 1.019 -3.960
140 HB3 PHE 17 HB3 PHE 17 3.904 1.363 -2.258
141 HD1 PHE 17 HD1 PHE 17 6.607 1.826 -4.830
142 HD2 PHE 17 HD2 PHE 17 4.529 3.444 -1.435
143 HE1 PHE 17 HE2 PHE 17 7.938 3.910 -5.007
144 HE2 PHE 17 HE1 PHE 17 5.859 5.528 -1.616
145 HZ PHE 17 HZ PHE 17 7.564 5.761 -3.400
146 H TRP 18 H TRP 18 4.985 0.609 -0.183
147 HA TRP 18 HA TRP 18 7.421 1.896 0.662
148 HB2 TRP 18 HB2 TRP 18 5.112 0.573 2.118
149 HB3 TRP 18 HB3 TRP 18 6.384 1.466 2.948
150 HD1 TRP 18 HD1 TRP 18 3.065 2.056 2.028
151 HE1 TRP 18 HE1 TRP 18 2.578 4.510 1.405
152 HE3 TRP 18 HE3 TRP 18 7.829 3.736 1.273
153 HZ2 TRP 18 HZ2 TRP 18 4.017 6.870 0.690
154 HZ3 TRP 18 HZ3 TRP 18 8.240 6.092 0.624
155 HH2 TRP 18 HH2 TRP 18 6.342 7.660 0.332
156 H ASN 19 H ASN 19 6.220 -1.460 0.952
157 HA ASN 19 HA ASN 19 8.163 -2.557 2.668
158 HB2 ASN 19 HB2 ASN 19 6.182 -3.428 0.765
159 HB3 ASN 19 HB3 ASN 19 7.625 -4.425 0.589
160 HD21 ASN 19 HD21 ASN 19 8.558 -5.200 2.842
161 HD22 ASN 19 HD22 ASN 19 7.407 -5.684 3.991
162 H VAL 20 H VAL 20 8.385 -2.118 -0.891
163 HA VAL 20 HA VAL 20 11.164 -3.125 -0.898
164 HB VAL 20 HB VAL 20 10.956 -2.689 -3.357
165 HG11 VAL 20 HG11 VAL 20 9.320 -4.433 -3.770
166 HG12 VAL 20 HG12 VAL 20 8.569 -4.155 -2.198
167 HG13 VAL 20 HG13 VAL 20 10.198 -4.825 -2.291
168 HG21 VAL 20 HG21 VAL 20 8.080 -1.943 -2.780
169 HG22 VAL 20 HG22 VAL 20 8.943 -1.839 -4.311
170 HG23 VAL 20 HG23 VAL 20 9.336 -0.726 -3.002
171 H THR 21 H THR 21 9.519 -0.002 -0.913
172 HA THR 21 HA THR 21 11.849 1.524 -1.785
173 HB THR 21 HB THR 21 9.249 2.279 -0.412
174 HG1 THR 21 HG1 THR 21 8.675 1.657 -2.366
175 HG21 THR 21 HG21 THR 21 11.499 3.927 -1.555
176 HG22 THR 21 HG22 THR 21 10.665 4.118 -0.012
177 HG23 THR 21 HG23 THR 21 9.850 4.552 -1.514
178 H LEU 22 H LEU 22 10.426 0.624 1.332
179 HA LEU 22 HA LEU 22 12.254 2.286 2.898
180 HB2 LEU 22 HB2 LEU 22 10.331 0.038 3.575
181 HB3 LEU 22 HB3 LEU 22 11.191 0.989 4.785
182 HG LEU 22 HG LEU 22 9.373 2.193 2.677
183 HD11 LEU 22 HD11 LEU 22 8.851 1.402 5.554
184 HD12 LEU 22 HD12 LEU 22 7.985 0.859 4.118
185 HD13 LEU 22 HD13 LEU 22 7.828 2.528 4.664
186 HD21 LEU 22 HD21 LEU 22 9.455 4.077 4.475
187 HD22 LEU 22 HD22 LEU 22 10.850 3.876 3.415
188 HD23 LEU 22 HD23 LEU 22 10.894 3.244 5.061
189 H ARG 23 H ARG 23 11.792 -1.256 2.844
190 HA ARG 23 HA ARG 23 13.324 -3.018 3.203
191 HB2 ARG 23 HB2 ARG 23 14.816 -0.969 1.553
192 HB3 ARG 23 HB3 ARG 23 15.531 -2.532 1.945
193 HG2 ARG 23 HG2 ARG 23 12.753 -2.591 0.885
194 HG3 ARG 23 HG3 ARG 23 14.015 -2.125 -0.256
195 HD2 ARG 23 HD2 ARG 23 15.268 -4.182 0.240
196 HD3 ARG 23 HD3 ARG 23 14.046 -4.649 1.440
197 HE ARG 23 HE ARG 23 13.485 -4.356 -1.490
198 HH11 ARG 23 HH11 ARG 23 11.415 -4.285 0.929
199 HH12 ARG 23 HH12 ARG 23 10.730 -5.866 0.737
200 HH21 ARG 23 HH21 ARG 23 13.220 -6.970 -1.426
201 HH22 ARG 23 HH22 ARG 23 11.759 -7.394 -0.597
202 HA PRO 24 HA PRO 24 15.350 -0.882 6.764
203 HB2 PRO 24 HB2 PRO 24 14.299 -2.491 8.710
204 HB3 PRO 24 HB3 PRO 24 13.463 -1.057 8.086
205 HG2 PRO 24 HG2 PRO 24 12.988 -3.923 7.506
206 HG3 PRO 24 HG3 PRO 24 11.839 -2.581 7.598
207 HD2 PRO 24 HD2 PRO 24 12.808 -3.693 5.254
208 HD3 PRO 24 HD3 PRO 24 12.075 -2.081 5.398
209 H GLU 25 H GLU 25 17.158 -2.078 5.494
210 HA GLU 25 HA GLU 25 17.865 -4.734 6.657
211 HB2 GLU 25 HB2 GLU 25 18.617 -3.102 4.246
212 HB3 GLU 25 HB3 GLU 25 19.714 -4.367 4.800
213 HG2 GLU 25 HG2 GLU 25 17.787 -5.978 4.746
214 HG3 GLU 25 HG3 GLU 25 16.803 -4.706 4.023
215 H ARG 26 H ARG 26 20.231 -5.022 7.239
216 HA ARG 26 HA ARG 26 22.122 -4.441 8.517
217 HB2 ARG 26 HB2 ARG 26 21.707 -2.493 6.526
218 HB3 ARG 26 HB3 ARG 26 22.050 -1.582 7.995
219 HG2 ARG 26 HG2 ARG 26 23.787 -3.934 7.580
220 HG3 ARG 26 HG3 ARG 26 23.972 -2.660 6.374
221 HD2 ARG 26 HD2 ARG 26 24.293 -0.996 8.196
222 HD3 ARG 26 HD3 ARG 26 24.175 -2.306 9.388
223 HE ARG 26 HE ARG 26 26.249 -3.223 8.541
224 HH11 ARG 26 HH11 ARG 26 25.977 -2.546 5.656
225 HH12 ARG 26 HH12 ARG 26 27.141 -1.280 5.453
226 HH21 ARG 26 HH21 ARG 26 27.414 -0.634 8.859
227 HH22 ARG 26 HH22 ARG 26 27.959 -0.192 7.276
Start of MODEL 2
1 HA ARG 1 HA ARG 1 -17.771 2.666 -4.023
2 HB2 ARG 1 HB2 ARG 1 -16.096 1.899 -5.852
3 HB3 ARG 1 HB3 ARG 1 -15.487 0.781 -4.633
4 HG2 ARG 1 HG2 ARG 1 -17.872 -0.028 -4.331
5 HG3 ARG 1 HG3 ARG 1 -18.296 0.927 -5.753
6 HD2 ARG 1 HD2 ARG 1 -17.053 -0.432 -7.202
7 HD3 ARG 1 HD3 ARG 1 -16.002 -1.024 -5.900
8 HE ARG 1 HE ARG 1 -18.892 -1.785 -6.146
9 HH11 ARG 1 HH11 ARG 1 -16.540 -3.559 -7.062
10 HH12 ARG 1 HH12 ARG 1 -16.416 -4.645 -5.719
11 HH21 ARG 1 HH21 ARG 1 -18.353 -2.670 -3.612
12 HH22 ARG 1 HH22 ARG 1 -17.447 -4.138 -3.755
13 H SER 2 H SER 2 -18.560 2.030 -2.065
14 HA SER 2 HA SER 2 -18.705 1.029 0.064
15 HB2 SER 2 HB2 SER 2 -17.058 -0.606 -1.617
16 HB3 SER 2 HB3 SER 2 -16.374 -0.629 0.005
17 HG SER 2 HG SER 2 -18.913 -1.427 -0.899
18 H ALA 3 H ALA 3 -17.119 0.513 2.080
19 HA ALA 3 HA ALA 3 -15.323 2.905 2.344
20 HB1 ALA 3 HB1 ALA 3 -16.813 1.288 4.439
21 HB2 ALA 3 HB2 ALA 3 -17.390 2.800 3.737
22 HB3 ALA 3 HB3 ALA 3 -15.926 2.786 4.722
23 H LEU 4 H LEU 4 -15.679 -0.459 3.578
24 HA LEU 4 HA LEU 4 -12.782 -0.553 4.205
25 HB2 LEU 4 HB2 LEU 4 -15.199 -1.683 5.187
26 HB3 LEU 4 HB3 LEU 4 -14.215 -3.025 4.603
27 HG LEU 4 HG LEU 4 -12.278 -1.790 5.888
28 HD11 LEU 4 HD11 LEU 4 -13.450 0.225 6.492
29 HD12 LEU 4 HD12 LEU 4 -13.232 -0.706 7.974
30 HD13 LEU 4 HD13 LEU 4 -14.798 -0.693 7.164
31 HD21 LEU 4 HD21 LEU 4 -14.520 -3.385 7.155
32 HD22 LEU 4 HD22 LEU 4 -13.020 -3.008 8.003
33 HD23 LEU 4 HD23 LEU 4 -12.983 -3.990 6.539
34 H VAL 5 H VAL 5 -13.626 -0.462 1.344
35 HA VAL 5 HA VAL 5 -12.623 -3.151 0.460
36 HB VAL 5 HB VAL 5 -14.532 -1.178 -0.848
37 HG11 VAL 5 HG11 VAL 5 -13.658 -2.106 -2.749
38 HG12 VAL 5 HG12 VAL 5 -14.725 -3.446 -2.326
39 HG13 VAL 5 HG13 VAL 5 -13.016 -3.508 -1.894
40 HG21 VAL 5 HG21 VAL 5 -16.089 -3.186 -0.630
41 HG22 VAL 5 HG22 VAL 5 -15.651 -2.407 0.889
42 HG23 VAL 5 HG23 VAL 5 -14.869 -3.914 0.414
43 H ASN 6 H ASN 6 -12.801 0.285 -0.585
44 HA ASN 6 HA ASN 6 -10.574 0.090 -2.417
45 HB2 ASN 6 HB2 ASN 6 -12.459 2.069 -1.381
46 HB3 ASN 6 HB3 ASN 6 -10.851 2.757 -1.619
47 HD21 ASN 6 HD21 ASN 6 -13.509 1.072 -3.305
48 HD22 ASN 6 HD22 ASN 6 -13.004 1.503 -4.869
49 H SER 7 H SER 7 -10.856 0.981 1.016
50 HA SER 7 HA SER 7 -8.295 2.113 1.463
51 HB2 SER 7 HB2 SER 7 -10.382 1.772 2.987
52 HB3 SER 7 HB3 SER 7 -9.674 0.201 3.357
53 HG SER 7 HG SER 7 -9.117 2.345 4.583
54 H TYR 8 H TYR 8 -9.317 -1.314 1.546
55 HA TYR 8 HA TYR 8 -6.639 -2.333 2.075
56 HB2 TYR 8 HB2 TYR 8 -8.045 -3.997 2.712
57 HB3 TYR 8 HB3 TYR 8 -9.390 -3.256 1.853
58 HD1 TYR 8 HD1 TYR 8 -6.402 -5.449 1.395
59 HD2 TYR 8 HD2 TYR 8 -10.187 -4.167 -0.182
60 HE1 TYR 8 HE1 TYR 8 -6.298 -7.241 -0.315
61 HE2 TYR 8 HE2 TYR 8 -10.081 -5.957 -1.892
62 HH TYR 8 HH TYR 8 -8.869 -8.300 -2.031
63 H LEU 9 H LEU 9 -8.659 -1.857 -0.823
64 HA LEU 9 HA LEU 9 -6.955 -3.222 -2.698
65 HB2 LEU 9 HB2 LEU 9 -9.262 -1.379 -2.671
66 HB3 LEU 9 HB3 LEU 9 -8.255 -1.240 -4.111
67 HG LEU 9 HG LEU 9 -9.133 -3.940 -3.091
68 HD11 LEU 9 HD11 LEU 9 -11.193 -2.683 -3.389
69 HD12 LEU 9 HD12 LEU 9 -11.004 -3.783 -4.755
70 HD13 LEU 9 HD13 LEU 9 -10.637 -2.069 -4.946
71 HD21 LEU 9 HD21 LEU 9 -8.657 -4.634 -5.342
72 HD22 LEU 9 HD22 LEU 9 -7.300 -3.632 -4.832
73 HD23 LEU 9 HD23 LEU 9 -8.536 -2.965 -5.898
74 H TRP 10 H TRP 10 -7.152 0.203 -1.682
75 HA TRP 10 HA TRP 10 -5.037 1.142 -3.417
76 HB2 TRP 10 HB2 TRP 10 -6.538 2.771 -2.616
77 HB3 TRP 10 HB3 TRP 10 -6.514 2.124 -0.977
78 HD1 TRP 10 HD1 TRP 10 -4.184 3.979 -3.437
79 HE1 TRP 10 HE1 TRP 10 -2.537 5.412 -2.065
80 HE3 TRP 10 HE3 TRP 10 -5.517 2.569 1.286
81 HZ2 TRP 10 HZ2 TRP 10 -1.875 5.894 0.673
82 HZ3 TRP 10 HZ3 TRP 10 -4.361 3.529 3.256
83 HH2 TRP 10 HH2 TRP 10 -2.543 5.188 2.957
84 H GLN 11 H GLN 11 -5.133 0.002 -0.030
85 HA GLN 11 HA GLN 11 -2.464 0.612 0.731
86 HB2 GLN 11 HB2 GLN 11 -4.569 -1.389 1.487
87 HB3 GLN 11 HB3 GLN 11 -2.947 -1.601 2.146
88 HG2 GLN 11 HG2 GLN 11 -4.075 1.148 2.274
89 HG3 GLN 11 HG3 GLN 11 -4.809 -0.052 3.338
90 HE21 GLN 11 HE21 GLN 11 -3.398 -1.092 4.964
91 HE22 GLN 11 HE22 GLN 11 -1.919 -0.382 5.399
92 H ARG 12 H ARG 12 -3.782 -2.289 -0.904
93 HA ARG 12 HA ARG 12 -1.452 -3.888 -0.991
94 HB2 ARG 12 HB2 ARG 12 -4.023 -4.024 -1.891
95 HB3 ARG 12 HB3 ARG 12 -3.165 -3.795 -3.416
96 HG2 ARG 12 HG2 ARG 12 -1.703 -5.705 -2.898
97 HG3 ARG 12 HG3 ARG 12 -2.529 -5.928 -1.354
98 HD2 ARG 12 HD2 ARG 12 -4.544 -5.829 -3.378
99 HD3 ARG 12 HD3 ARG 12 -3.292 -6.964 -3.918
100 HE ARG 12 HE ARG 12 -4.279 -7.154 -1.110
101 HH11 ARG 12 HH11 ARG 12 -2.459 -9.228 -2.205
102 HH12 ARG 12 HH12 ARG 12 -3.556 -10.479 -2.690
103 HH21 ARG 12 HH21 ARG 12 -6.351 -8.408 -2.635
104 HH22 ARG 12 HH22 ARG 12 -5.769 -10.013 -2.934
105 H TRP 13 H TRP 13 -2.168 -0.946 -2.745
106 HA TRP 13 HA TRP 13 -0.123 -1.398 -4.813
107 HB2 TRP 13 HB2 TRP 13 -2.456 0.074 -4.534
108 HB3 TRP 13 HB3 TRP 13 -1.206 1.305 -4.395
109 HD1 TRP 13 HD1 TRP 13 -3.125 1.176 -6.869
110 HE1 TRP 13 HE1 TRP 13 -2.161 0.834 -9.236
111 HE3 TRP 13 HE3 TRP 13 1.390 -0.907 -5.697
112 HZ2 TRP 13 HZ2 TRP 13 0.209 -0.182 -10.467
113 HZ3 TRP 13 HZ3 TRP 13 2.977 -1.549 -7.484
114 HH2 TRP 13 HH2 TRP 13 2.396 -1.189 -9.865
115 H GLU 14 H GLU 14 -0.615 1.085 -2.269
116 HA GLU 14 HA GLU 14 2.157 1.994 -2.465
117 HB2 GLU 14 HB2 GLU 14 -0.217 2.640 -0.705
118 HB3 GLU 14 HB3 GLU 14 1.332 3.474 -0.568
119 HG2 GLU 14 HG2 GLU 14 0.992 3.689 -3.225
120 HG3 GLU 14 HG3 GLU 14 -0.703 3.598 -2.746
121 H ASN 15 H ASN 15 0.251 0.230 0.035
122 HA ASN 15 HA ASN 15 2.202 0.109 2.069
123 HB2 ASN 15 HB2 ASN 15 -0.248 -0.734 1.965
124 HB3 ASN 15 HB3 ASN 15 0.436 -2.226 1.317
125 HD21 ASN 15 HD21 ASN 15 2.260 -3.219 2.729
126 HD22 ASN 15 HD22 ASN 15 2.097 -3.075 4.413
127 H TRP 16 H TRP 16 1.881 -1.946 -0.841
128 HA TRP 16 HA TRP 16 4.046 -3.748 -0.131
129 HB2 TRP 16 HB2 TRP 16 2.534 -4.576 -1.731
130 HB3 TRP 16 HB3 TRP 16 2.452 -3.038 -2.589
131 HD1 TRP 16 HD1 TRP 16 4.776 -6.058 -2.085
132 HE1 TRP 16 HE1 TRP 16 6.420 -6.167 -4.069
133 HE3 TRP 16 HE3 TRP 16 3.545 -1.724 -4.491
134 HZ2 TRP 16 HZ2 TRP 16 7.118 -4.621 -6.372
135 HZ3 TRP 16 HZ3 TRP 16 4.715 -1.067 -6.573
136 HH2 TRP 16 HH2 TRP 16 6.498 -2.508 -7.517
137 H PHE 17 H PHE 17 3.818 -0.937 -2.348
138 HA PHE 17 HA PHE 17 6.526 -0.848 -3.190
139 HB2 PHE 17 HB2 PHE 17 4.551 0.426 -4.096
140 HB3 PHE 17 HB3 PHE 17 4.627 1.467 -2.673
141 HD1 PHE 17 HD1 PHE 17 6.577 0.292 -5.628
142 HD2 PHE 17 HD2 PHE 17 6.191 3.249 -2.536
143 HE1 PHE 17 HE2 PHE 17 8.331 1.665 -6.720
144 HE2 PHE 17 HE1 PHE 17 7.945 4.620 -3.627
145 HZ PHE 17 HZ PHE 17 9.015 3.828 -5.719
146 H TRP 18 H TRP 18 4.942 0.772 -0.409
147 HA TRP 18 HA TRP 18 7.306 2.090 0.560
148 HB2 TRP 18 HB2 TRP 18 4.734 1.171 1.880
149 HB3 TRP 18 HB3 TRP 18 5.915 2.207 2.677
150 HD1 TRP 18 HD1 TRP 18 2.816 2.870 1.558
151 HE1 TRP 18 HE1 TRP 18 2.541 5.036 0.188
152 HE3 TRP 18 HE3 TRP 18 7.680 3.700 0.209
153 HZ2 TRP 18 HZ2 TRP 18 4.160 6.874 -1.278
154 HZ3 TRP 18 HZ3 TRP 18 8.278 5.664 -1.172
155 HH2 TRP 18 HH2 TRP 18 6.527 7.253 -1.916
156 H ASN 19 H ASN 19 5.915 -1.132 1.219
157 HA ASN 19 HA ASN 19 7.674 -1.841 3.377
158 HB2 ASN 19 HB2 ASN 19 5.659 -3.043 1.668
159 HB3 ASN 19 HB3 ASN 19 6.992 -4.164 1.936
160 HD21 ASN 19 HD21 ASN 19 4.374 -2.407 3.535
161 HD22 ASN 19 HD22 ASN 19 4.533 -3.182 5.036
162 H VAL 20 H VAL 20 7.952 -2.348 -0.170
163 HA VAL 20 HA VAL 20 10.597 -3.622 0.160
164 HB VAL 20 HB VAL 20 10.447 -3.842 -2.307
165 HG11 VAL 20 HG11 VAL 20 8.513 -5.317 -2.362
166 HG12 VAL 20 HG12 VAL 20 7.825 -4.525 -0.945
167 HG13 VAL 20 HG13 VAL 20 9.306 -5.472 -0.794
168 HG21 VAL 20 HG21 VAL 20 9.127 -2.508 -3.558
169 HG22 VAL 20 HG22 VAL 20 8.765 -1.597 -2.093
170 HG23 VAL 20 HG23 VAL 20 7.708 -2.916 -2.593
171 H THR 21 H THR 21 9.532 -0.393 0.007
172 HA THR 21 HA THR 21 12.065 0.518 -1.297
173 HB THR 21 HB THR 21 9.415 1.886 -0.740
174 HG1 THR 21 HG1 THR 21 9.014 0.846 -2.521
175 HG21 THR 21 HG21 THR 21 11.232 3.517 -0.611
176 HG22 THR 21 HG22 THR 21 10.341 3.741 -2.115
177 HG23 THR 21 HG23 THR 21 11.902 2.922 -2.129
178 H LEU 22 H LEU 22 10.069 0.948 1.617
179 HA LEU 22 HA LEU 22 12.150 2.673 2.846
180 HB2 LEU 22 HB2 LEU 22 9.393 1.776 3.737
181 HB3 LEU 22 HB3 LEU 22 10.394 2.941 4.599
182 HG LEU 22 HG LEU 22 9.764 3.379 1.690
183 HD11 LEU 22 HD11 LEU 22 7.805 4.762 2.473
184 HD12 LEU 22 HD12 LEU 22 7.988 4.015 4.061
185 HD13 LEU 22 HD13 LEU 22 7.581 3.023 2.661
186 HD21 LEU 22 HD21 LEU 22 11.453 4.787 2.840
187 HD22 LEU 22 HD22 LEU 22 10.245 5.238 4.043
188 HD23 LEU 22 HD23 LEU 22 10.043 5.733 2.362
189 H ARG 23 H ARG 23 11.172 -0.645 2.867
190 HA ARG 23 HA ARG 23 13.229 -1.287 4.871
191 HB2 ARG 23 HB2 ARG 23 11.400 -2.524 6.245
192 HB3 ARG 23 HB3 ARG 23 11.502 -0.772 6.411
193 HG2 ARG 23 HG2 ARG 23 9.490 -0.429 5.389
194 HG3 ARG 23 HG3 ARG 23 9.755 -1.714 4.214
195 HD2 ARG 23 HD2 ARG 23 8.504 -3.153 5.434
196 HD3 ARG 23 HD3 ARG 23 9.476 -2.830 6.883
197 HE ARG 23 HE ARG 23 7.148 -1.161 6.012
198 HH11 ARG 23 HH11 ARG 23 9.374 0.057 7.756
199 HH12 ARG 23 HH12 ARG 23 8.678 -0.118 9.333
200 HH21 ARG 23 HH21 ARG 23 6.262 -2.396 8.298
201 HH22 ARG 23 HH22 ARG 23 6.907 -1.514 9.641
202 HA PRO 24 HA PRO 24 12.214 -4.492 1.615
203 HB2 PRO 24 HB2 PRO 24 14.703 -4.578 0.476
204 HB3 PRO 24 HB3 PRO 24 13.430 -3.462 -0.058
205 HG2 PRO 24 HG2 PRO 24 15.779 -2.954 1.696
206 HG3 PRO 24 HG3 PRO 24 15.057 -1.925 0.449
207 HD2 PRO 24 HD2 PRO 24 14.649 -1.565 3.121
208 HD3 PRO 24 HD3 PRO 24 13.477 -1.083 1.874
209 H GLU 25 H GLU 25 12.147 -6.317 2.885
210 HA GLU 25 HA GLU 25 12.905 -8.256 3.986
211 HB2 GLU 25 HB2 GLU 25 14.863 -7.550 2.154
212 HB3 GLU 25 HB3 GLU 25 15.768 -7.679 3.662
213 HG2 GLU 25 HG2 GLU 25 15.810 -9.882 2.850
214 HG3 GLU 25 HG3 GLU 25 14.455 -9.914 3.978
215 H ARG 26 H ARG 26 13.981 -8.903 6.013
216 HA ARG 26 HA ARG 26 14.691 -6.562 7.760
217 HB2 ARG 26 HB2 ARG 26 12.978 -9.015 8.174
218 HB3 ARG 26 HB3 ARG 26 13.645 -8.137 9.550
219 HG2 ARG 26 HG2 ARG 26 12.500 -6.252 7.699
220 HG3 ARG 26 HG3 ARG 26 11.311 -7.505 8.059
221 HD2 ARG 26 HD2 ARG 26 12.408 -6.979 10.556
222 HD3 ARG 26 HD3 ARG 26 12.339 -5.375 9.799
223 HE ARG 26 HE ARG 26 10.018 -7.094 10.407
224 HH11 ARG 26 HH11 ARG 26 10.036 -4.182 11.006
225 HH12 ARG 26 HH12 ARG 26 9.083 -3.524 9.720
226 HH21 ARG 26 HH21 ARG 26 9.338 -6.360 7.726
227 HH22 ARG 26 HH22 ARG 26 8.680 -4.763 7.857
Start of MODEL 3
1 HA ARG 1 HA ARG 1 -19.090 0.936 -2.475
2 HB2 ARG 1 HB2 ARG 1 -21.250 1.961 -3.446
3 HB3 ARG 1 HB3 ARG 1 -21.870 1.926 -1.796
4 HG2 ARG 1 HG2 ARG 1 -19.995 3.305 -1.030
5 HG3 ARG 1 HG3 ARG 1 -19.303 3.297 -2.654
6 HD2 ARG 1 HD2 ARG 1 -21.983 4.145 -2.981
7 HD3 ARG 1 HD3 ARG 1 -21.351 5.040 -1.584
8 HE ARG 1 HE ARG 1 -19.978 4.951 -4.248
9 HH11 ARG 1 HH11 ARG 1 -18.401 5.781 -1.785
10 HH12 ARG 1 HH12 ARG 1 -18.543 7.506 -1.853
11 HH21 ARG 1 HH21 ARG 1 -21.190 7.457 -4.108
12 HH22 ARG 1 HH22 ARG 1 -20.130 8.459 -3.173
13 H SER 2 H SER 2 -18.325 -0.513 -0.744
14 HA SER 2 HA SER 2 -19.868 -0.413 1.810
15 HB2 SER 2 HB2 SER 2 -18.865 -2.515 0.600
16 HB3 SER 2 HB3 SER 2 -17.343 -1.972 1.303
17 HG SER 2 HG SER 2 -18.181 -2.232 3.313
18 H ALA 3 H ALA 3 -17.391 1.304 0.304
19 HA ALA 3 HA ALA 3 -15.821 2.868 1.095
20 HB1 ALA 3 HB1 ALA 3 -18.017 3.096 2.625
21 HB2 ALA 3 HB2 ALA 3 -16.562 4.043 2.936
22 HB3 ALA 3 HB3 ALA 3 -16.879 2.581 3.871
23 H LEU 4 H LEU 4 -15.662 -0.312 1.801
24 HA LEU 4 HA LEU 4 -13.163 -0.004 3.423
25 HB2 LEU 4 HB2 LEU 4 -15.501 -1.895 3.658
26 HB3 LEU 4 HB3 LEU 4 -13.926 -2.320 4.327
27 HG LEU 4 HG LEU 4 -14.935 0.400 4.977
28 HD11 LEU 4 HD11 LEU 4 -16.304 -0.566 6.862
29 HD12 LEU 4 HD12 LEU 4 -16.155 -2.142 6.086
30 HD13 LEU 4 HD13 LEU 4 -16.997 -0.830 5.262
31 HD21 LEU 4 HD21 LEU 4 -13.885 -0.129 7.123
32 HD22 LEU 4 HD22 LEU 4 -12.781 -0.548 5.814
33 HD23 LEU 4 HD23 LEU 4 -13.691 -1.813 6.640
34 H VAL 5 H VAL 5 -14.397 -0.957 0.458
35 HA VAL 5 HA VAL 5 -12.655 -3.320 0.086
36 HB VAL 5 HB VAL 5 -14.469 -1.790 -1.818
37 HG11 VAL 5 HG11 VAL 5 -12.786 -3.214 -2.943
38 HG12 VAL 5 HG12 VAL 5 -14.412 -3.868 -3.144
39 HG13 VAL 5 HG13 VAL 5 -13.309 -4.592 -1.973
40 HG21 VAL 5 HG21 VAL 5 -14.955 -4.140 0.029
41 HG22 VAL 5 HG22 VAL 5 -15.998 -3.794 -1.350
42 HG23 VAL 5 HG23 VAL 5 -15.844 -2.618 -0.044
43 H ASN 6 H ASN 6 -13.042 -0.081 -1.427
44 HA ASN 6 HA ASN 6 -10.655 -0.206 -3.017
45 HB2 ASN 6 HB2 ASN 6 -12.710 1.344 -3.149
46 HB3 ASN 6 HB3 ASN 6 -11.931 2.292 -1.882
47 HD21 ASN 6 HD21 ASN 6 -11.229 0.920 -5.149
48 HD22 ASN 6 HD22 ASN 6 -10.194 2.183 -5.615
49 H SER 7 H SER 7 -11.255 1.040 0.286
50 HA SER 7 HA SER 7 -8.741 2.283 0.758
51 HB2 SER 7 HB2 SER 7 -9.324 1.629 3.180
52 HB3 SER 7 HB3 SER 7 -10.537 2.564 2.309
53 HG SER 7 HG SER 7 -10.924 0.305 3.481
54 H TYR 8 H TYR 8 -9.752 -1.103 1.356
55 HA TYR 8 HA TYR 8 -7.194 -2.044 2.283
56 HB2 TYR 8 HB2 TYR 8 -9.070 -3.380 2.789
57 HB3 TYR 8 HB3 TYR 8 -9.730 -3.233 1.162
58 HD1 TYR 8 HD1 TYR 8 -6.747 -4.609 2.976
59 HD2 TYR 8 HD2 TYR 8 -9.425 -4.977 -0.362
60 HE1 TYR 8 HE2 TYR 8 -5.653 -6.739 2.333
61 HE2 TYR 8 HE1 TYR 8 -8.331 -7.107 -1.005
62 HH TYR 8 HH TYR 8 -6.772 -8.960 0.713
63 H LEU 9 H LEU 9 -8.717 -1.895 -0.935
64 HA LEU 9 HA LEU 9 -6.682 -3.307 -2.392
65 HB2 LEU 9 HB2 LEU 9 -9.081 -1.697 -2.853
66 HB3 LEU 9 HB3 LEU 9 -7.865 -1.420 -4.095
67 HG LEU 9 HG LEU 9 -9.358 -3.279 -4.723
68 HD11 LEU 9 HD11 LEU 9 -6.801 -3.239 -5.188
69 HD12 LEU 9 HD12 LEU 9 -7.669 -4.754 -5.434
70 HD13 LEU 9 HD13 LEU 9 -6.714 -4.513 -3.972
71 HD21 LEU 9 HD21 LEU 9 -9.589 -5.244 -3.408
72 HD22 LEU 9 HD22 LEU 9 -9.746 -3.918 -2.257
73 HD23 LEU 9 HD23 LEU 9 -8.229 -4.810 -2.374
74 H TRP 10 H TRP 10 -7.247 0.198 -1.904
75 HA TRP 10 HA TRP 10 -4.944 1.133 -3.320
76 HB2 TRP 10 HB2 TRP 10 -6.616 2.717 -2.858
77 HB3 TRP 10 HB3 TRP 10 -6.803 2.175 -1.192
78 HD1 TRP 10 HD1 TRP 10 -4.250 4.039 -3.411
79 HE1 TRP 10 HE1 TRP 10 -2.902 5.646 -1.910
80 HE3 TRP 10 HE3 TRP 10 -6.169 2.796 1.154
81 HZ2 TRP 10 HZ2 TRP 10 -2.672 6.316 0.862
82 HZ3 TRP 10 HZ3 TRP 10 -5.368 3.931 3.207
83 HH2 TRP 10 HH2 TRP 10 -3.624 5.687 3.067
84 H GLN 11 H GLN 11 -5.425 0.434 0.173
85 HA GLN 11 HA GLN 11 -2.862 1.207 1.113
86 HB2 GLN 11 HB2 GLN 11 -4.969 0.472 2.380
87 HB3 GLN 11 HB3 GLN 11 -4.462 -1.188 2.063
88 HG2 GLN 11 HG2 GLN 11 -2.975 -1.105 3.751
89 HG3 GLN 11 HG3 GLN 11 -2.223 0.336 3.067
90 HE21 GLN 11 HE21 GLN 11 -3.989 -0.785 5.745
91 HE22 GLN 11 HE22 GLN 11 -4.510 0.718 6.340
92 H ARG 12 H ARG 12 -3.947 -1.883 -0.306
93 HA ARG 12 HA ARG 12 -1.580 -3.422 0.061
94 HB2 ARG 12 HB2 ARG 12 -4.073 -3.497 -1.384
95 HB3 ARG 12 HB3 ARG 12 -2.777 -4.027 -2.454
96 HG2 ARG 12 HG2 ARG 12 -2.615 -5.128 0.279
97 HG3 ARG 12 HG3 ARG 12 -4.036 -5.644 -0.631
98 HD2 ARG 12 HD2 ARG 12 -1.224 -5.769 -1.771
99 HD3 ARG 12 HD3 ARG 12 -2.001 -7.134 -0.946
100 HE ARG 12 HE ARG 12 -3.826 -6.115 -2.890
101 HH11 ARG 12 HH11 ARG 12 -3.283 -8.987 -2.750
102 HH12 ARG 12 HH12 ARG 12 -2.371 -9.295 -4.189
103 HH21 ARG 12 HH21 ARG 12 -1.573 -5.952 -4.711
104 HH22 ARG 12 HH22 ARG 12 -1.397 -7.570 -5.306
105 H TRP 13 H TRP 13 -2.494 -1.148 -2.525
106 HA TRP 13 HA TRP 13 -0.360 -1.572 -4.342
107 HB2 TRP 13 HB2 TRP 13 -2.552 0.092 -4.049
108 HB3 TRP 13 HB3 TRP 13 -1.207 1.222 -3.932
109 HD1 TRP 13 HD1 TRP 13 -3.171 1.191 -6.394
110 HE1 TRP 13 HE1 TRP 13 -2.246 0.769 -8.765
111 HE3 TRP 13 HE3 TRP 13 1.216 -1.146 -5.228
112 HZ2 TRP 13 HZ2 TRP 13 0.051 -0.403 -9.999
113 HZ3 TRP 13 HZ3 TRP 13 2.750 -1.904 -7.017
114 HH2 TRP 13 HH2 TRP 13 2.175 -1.534 -9.398
115 H GLU 14 H GLU 14 -0.572 1.044 -1.900
116 HA GLU 14 HA GLU 14 2.221 1.761 -2.134
117 HB2 GLU 14 HB2 GLU 14 0.067 2.351 -0.082
118 HB3 GLU 14 HB3 GLU 14 1.619 3.188 -0.166
119 HG2 GLU 14 HG2 GLU 14 0.899 3.494 -2.722
120 HG3 GLU 14 HG3 GLU 14 -0.716 3.332 -2.030
121 H ASN 15 H ASN 15 0.442 -0.482 -0.054
122 HA ASN 15 HA ASN 15 2.256 -0.809 2.092
123 HB2 ASN 15 HB2 ASN 15 0.140 -1.906 2.154
124 HB3 ASN 15 HB3 ASN 15 0.404 -2.672 0.589
125 HD21 ASN 15 HD21 ASN 15 2.645 -2.529 3.415
126 HD22 ASN 15 HD22 ASN 15 2.743 -4.213 3.602
127 H TRP 16 H TRP 16 2.198 -2.562 -1.042
128 HA TRP 16 HA TRP 16 4.673 -3.990 -0.578
129 HB2 TRP 16 HB2 TRP 16 3.235 -4.931 -2.184
130 HB3 TRP 16 HB3 TRP 16 2.859 -3.366 -2.905
131 HD1 TRP 16 HD1 TRP 16 5.596 -6.044 -2.807
132 HE1 TRP 16 HE1 TRP 16 7.158 -5.704 -4.829
133 HE3 TRP 16 HE3 TRP 16 3.724 -1.657 -4.641
134 HZ2 TRP 16 HZ2 TRP 16 7.561 -3.822 -6.945
135 HZ3 TRP 16 HZ3 TRP 16 4.718 -0.615 -6.659
136 HH2 TRP 16 HH2 TRP 16 6.631 -1.691 -7.811
137 H PHE 17 H PHE 17 3.836 -0.972 -2.293
138 HA PHE 17 HA PHE 17 6.369 -0.357 -3.413
139 HB2 PHE 17 HB2 PHE 17 4.411 0.876 -4.037
140 HB3 PHE 17 HB3 PHE 17 4.056 1.295 -2.363
141 HD1 PHE 17 HD1 PHE 17 6.870 1.634 -4.835
142 HD2 PHE 17 HD2 PHE 17 4.623 3.433 -1.646
143 HE1 PHE 17 HE2 PHE 17 8.208 3.709 -5.063
144 HE2 PHE 17 HE1 PHE 17 5.961 5.507 -1.875
145 HZ PHE 17 HZ PHE 17 7.753 5.646 -3.582
146 H TRP 18 H TRP 18 4.999 0.816 -0.302
147 HA TRP 18 HA TRP 18 7.423 2.046 0.627
148 HB2 TRP 18 HB2 TRP 18 4.920 0.982 1.962
149 HB3 TRP 18 HB3 TRP 18 6.178 1.827 2.860
150 HD1 TRP 18 HD1 TRP 18 3.026 2.570 1.427
151 HE1 TRP 18 HE1 TRP 18 2.816 5.028 0.673
152 HE3 TRP 18 HE3 TRP 18 7.953 3.912 1.413
153 HZ2 TRP 18 HZ2 TRP 18 4.514 7.266 0.139
154 HZ3 TRP 18 HZ3 TRP 18 8.628 6.210 0.780
155 HH2 TRP 18 HH2 TRP 18 6.916 7.887 0.143
156 H ASN 19 H ASN 19 6.111 -1.248 0.969
157 HA ASN 19 HA ASN 19 7.832 -2.280 2.965
158 HB2 ASN 19 HB2 ASN 19 5.883 -3.443 2.033
159 HB3 ASN 19 HB3 ASN 19 6.678 -3.561 0.464
160 HD21 ASN 19 HD21 ASN 19 6.804 -4.759 3.824
161 HD22 ASN 19 HD22 ASN 19 7.779 -6.105 3.477
162 H VAL 20 H VAL 20 8.357 -2.236 -0.598
163 HA VAL 20 HA VAL 20 11.118 -3.229 -0.246
164 HB VAL 20 HB VAL 20 11.113 -3.132 -2.739
165 HG11 VAL 20 HG11 VAL 20 10.146 -5.060 -1.398
166 HG12 VAL 20 HG12 VAL 20 9.542 -4.915 -3.049
167 HG13 VAL 20 HG13 VAL 20 8.553 -4.364 -1.697
168 HG21 VAL 20 HG21 VAL 20 8.913 -1.330 -2.258
169 HG22 VAL 20 HG22 VAL 20 8.357 -2.681 -3.242
170 HG23 VAL 20 HG23 VAL 20 9.720 -1.699 -3.779
171 H THR 21 H THR 21 9.517 -0.130 -0.739
172 HA THR 21 HA THR 21 11.892 1.284 -1.669
173 HB THR 21 HB THR 21 9.218 2.147 -0.524
174 HG1 THR 21 HG1 THR 21 8.822 1.379 -2.476
175 HG21 THR 21 HG21 THR 21 10.848 3.927 -0.145
176 HG22 THR 21 HG22 THR 21 9.774 4.384 -1.469
177 HG23 THR 21 HG23 THR 21 11.404 3.805 -1.815
178 H LEU 22 H LEU 22 10.277 0.862 1.469
179 HA LEU 22 HA LEU 22 12.256 2.550 2.861
180 HB2 LEU 22 HB2 LEU 22 9.984 0.799 3.849
181 HB3 LEU 22 HB3 LEU 22 10.860 1.977 4.825
182 HG LEU 22 HG LEU 22 9.339 2.687 2.298
183 HD11 LEU 22 HD11 LEU 22 7.772 1.881 3.995
184 HD12 LEU 22 HD12 LEU 22 7.644 3.635 3.856
185 HD13 LEU 22 HD13 LEU 22 8.521 2.920 5.209
186 HD21 LEU 22 HD21 LEU 22 10.573 4.328 4.533
187 HD22 LEU 22 HD22 LEU 22 9.548 4.994 3.263
188 HD23 LEU 22 HD23 LEU 22 11.104 4.274 2.851
189 H ARG 23 H ARG 23 12.115 -0.703 1.864
190 HA ARG 23 HA ARG 23 13.273 -2.117 4.046
191 HB2 ARG 23 HB2 ARG 23 12.672 -2.487 1.253
192 HB3 ARG 23 HB3 ARG 23 14.275 -3.141 1.585
193 HG2 ARG 23 HG2 ARG 23 12.611 -3.910 3.756
194 HG3 ARG 23 HG3 ARG 23 11.711 -4.246 2.279
195 HD2 ARG 23 HD2 ARG 23 12.974 -6.217 2.555
196 HD3 ARG 23 HD3 ARG 23 13.999 -5.275 1.452
197 HE ARG 23 HE ARG 23 15.241 -4.485 3.507
198 HH11 ARG 23 HH11 ARG 23 15.779 -7.411 3.076
199 HH12 ARG 23 HH12 ARG 23 15.500 -8.065 4.654
200 HH21 ARG 23 HH21 ARG 23 13.783 -5.268 5.798
201 HH22 ARG 23 HH22 ARG 23 14.365 -6.848 6.201
202 HA PRO 24 HA PRO 24 17.583 -1.054 2.355
203 HB2 PRO 24 HB2 PRO 24 17.846 0.557 0.163
204 HB3 PRO 24 HB3 PRO 24 17.616 -1.197 0.048
205 HG2 PRO 24 HG2 PRO 24 15.698 0.991 -0.444
206 HG3 PRO 24 HG3 PRO 24 15.785 -0.623 -1.162
207 HD2 PRO 24 HD2 PRO 24 14.028 0.200 0.854
208 HD3 PRO 24 HD3 PRO 24 14.359 -1.473 0.365
209 H GLU 25 H GLU 25 16.572 0.365 4.338
210 HA GLU 25 HA GLU 25 16.992 3.278 3.805
211 HB2 GLU 25 HB2 GLU 25 15.338 1.607 5.576
212 HB3 GLU 25 HB3 GLU 25 16.091 2.969 6.405
213 HG2 GLU 25 HG2 GLU 25 15.260 4.405 4.434
214 HG3 GLU 25 HG3 GLU 25 14.237 3.029 4.022
215 H ARG 26 H ARG 26 17.914 0.735 6.165
216 HA ARG 26 HA ARG 26 19.833 0.500 7.510
217 HB2 ARG 26 HB2 ARG 26 20.577 1.401 4.957
218 HB3 ARG 26 HB3 ARG 26 21.482 2.427 6.070
219 HG2 ARG 26 HG2 ARG 26 22.368 0.462 7.221
220 HG3 ARG 26 HG3 ARG 26 21.395 -0.601 6.204
221 HD2 ARG 26 HD2 ARG 26 23.412 -0.675 5.039
222 HD3 ARG 26 HD3 ARG 26 22.671 0.730 4.250
223 HE ARG 26 HE ARG 26 24.359 1.150 6.678
224 HH11 ARG 26 HH11 ARG 26 26.049 0.732 4.272
225 HH12 ARG 26 HH12 ARG 26 26.202 2.333 3.631
226 HH21 ARG 26 HH21 ARG 26 23.523 3.599 5.452
227 HH22 ARG 26 HH22 ARG 26 24.766 3.963 4.301
Start of MODEL 4
1 HA ARG 1 HA ARG 1 -11.413 4.555 -8.853
2 HB2 ARG 1 HB2 ARG 1 -13.417 6.403 -10.117
3 HB3 ARG 1 HB3 ARG 1 -13.187 6.469 -8.371
4 HG2 ARG 1 HG2 ARG 1 -10.590 6.368 -9.458
5 HG3 ARG 1 HG3 ARG 1 -11.479 7.504 -10.472
6 HD2 ARG 1 HD2 ARG 1 -12.320 8.268 -7.971
7 HD3 ARG 1 HD3 ARG 1 -10.644 7.775 -7.650
8 HE ARG 1 HE ARG 1 -9.914 9.353 -9.399
9 HH11 ARG 1 HH11 ARG 1 -11.283 11.158 -7.518
10 HH12 ARG 1 HH12 ARG 1 -12.401 12.010 -8.530
11 HH21 ARG 1 HH21 ARG 1 -12.199 9.713 -11.131
12 HH22 ARG 1 HH22 ARG 1 -12.923 11.187 -10.584
13 H SER 2 H SER 2 -12.355 3.910 -6.865
14 HA SER 2 HA SER 2 -15.157 2.854 -6.943
15 HB2 SER 2 HB2 SER 2 -12.709 1.378 -6.927
16 HB3 SER 2 HB3 SER 2 -13.472 1.162 -5.355
17 HG SER 2 HG SER 2 -15.052 0.094 -6.275
18 H ALA 3 H ALA 3 -15.973 2.437 -4.663
19 HA ALA 3 HA ALA 3 -14.836 4.474 -2.777
20 HB1 ALA 3 HB1 ALA 3 -17.134 4.609 -1.936
21 HB2 ALA 3 HB2 ALA 3 -17.612 3.264 -2.973
22 HB3 ALA 3 HB3 ALA 3 -17.133 4.804 -3.689
23 H LEU 4 H LEU 4 -16.381 1.226 -2.817
24 HA LEU 4 HA LEU 4 -15.249 0.717 -0.096
25 HB2 LEU 4 HB2 LEU 4 -17.556 -0.290 -1.736
26 HB3 LEU 4 HB3 LEU 4 -16.913 -1.314 -0.452
27 HG LEU 4 HG LEU 4 -17.071 0.956 0.941
28 HD11 LEU 4 HD11 LEU 4 -17.855 2.388 -0.826
29 HD12 LEU 4 HD12 LEU 4 -19.222 2.111 0.251
30 HD13 LEU 4 HD13 LEU 4 -19.114 1.239 -1.279
31 HD21 LEU 4 HD21 LEU 4 -19.363 0.217 1.650
32 HD22 LEU 4 HD22 LEU 4 -18.202 -1.108 1.566
33 HD23 LEU 4 HD23 LEU 4 -19.386 -0.890 0.277
34 H VAL 5 H VAL 5 -14.027 0.374 -3.049
35 HA VAL 5 HA VAL 5 -13.106 -2.456 -2.662
36 HB VAL 5 HB VAL 5 -13.253 -0.658 -5.108
37 HG11 VAL 5 HG11 VAL 5 -11.393 -2.056 -5.512
38 HG12 VAL 5 HG12 VAL 5 -12.735 -2.923 -6.259
39 HG13 VAL 5 HG13 VAL 5 -12.131 -3.426 -4.680
40 HG21 VAL 5 HG21 VAL 5 -14.780 -3.174 -4.354
41 HG22 VAL 5 HG22 VAL 5 -14.977 -2.256 -5.847
42 HG23 VAL 5 HG23 VAL 5 -15.431 -1.536 -4.303
43 H ASN 6 H ASN 6 -11.926 0.736 -3.828
44 HA ASN 6 HA ASN 6 -9.129 0.035 -3.641
45 HB2 ASN 6 HB2 ASN 6 -10.633 2.022 -4.773
46 HB3 ASN 6 HB3 ASN 6 -9.926 2.876 -3.402
47 HD21 ASN 6 HD21 ASN 6 -7.375 1.724 -3.219
48 HD22 ASN 6 HD22 ASN 6 -6.511 2.008 -4.651
49 H SER 7 H SER 7 -11.467 1.142 -1.281
50 HA SER 7 HA SER 7 -9.897 2.463 0.647
51 HB2 SER 7 HB2 SER 7 -11.601 1.374 2.232
52 HB3 SER 7 HB3 SER 7 -12.273 2.281 0.882
53 HG SER 7 HG SER 7 -13.313 0.382 0.780
54 H TYR 8 H TYR 8 -10.166 -1.016 -0.015
55 HA TYR 8 HA TYR 8 -8.238 -1.639 2.175
56 HB2 TYR 8 HB2 TYR 8 -10.072 -3.090 2.260
57 HB3 TYR 8 HB3 TYR 8 -10.269 -3.104 0.509
58 HD1 TYR 8 HD1 TYR 8 -7.936 -4.211 3.223
59 HD2 TYR 8 HD2 TYR 8 -9.383 -4.862 -0.768
60 HE1 TYR 8 HE1 TYR 8 -6.617 -6.305 3.086
61 HE2 TYR 8 HE2 TYR 8 -8.064 -6.956 -0.906
62 HH TYR 8 HH TYR 8 -7.133 -8.669 1.004
63 H LEU 9 H LEU 9 -8.599 -1.701 -1.355
64 HA LEU 9 HA LEU 9 -6.207 -3.207 -1.942
65 HB2 LEU 9 HB2 LEU 9 -8.313 -1.706 -3.313
66 HB3 LEU 9 HB3 LEU 9 -6.749 -1.520 -4.102
67 HG LEU 9 HG LEU 9 -7.971 -3.466 -5.001
68 HD11 LEU 9 HD11 LEU 9 -5.778 -4.666 -3.350
69 HD12 LEU 9 HD12 LEU 9 -5.373 -3.378 -4.484
70 HD13 LEU 9 HD13 LEU 9 -6.121 -4.864 -5.068
71 HD21 LEU 9 HD21 LEU 9 -9.114 -3.862 -2.700
72 HD22 LEU 9 HD22 LEU 9 -7.662 -4.785 -2.306
73 HD23 LEU 9 HD23 LEU 9 -8.679 -5.275 -3.662
74 H TRP 10 H TRP 10 -6.851 0.272 -1.514
75 HA TRP 10 HA TRP 10 -4.408 1.333 -2.497
76 HB2 TRP 10 HB2 TRP 10 -6.170 2.824 -1.983
77 HB3 TRP 10 HB3 TRP 10 -6.417 2.122 -0.386
78 HD1 TRP 10 HD1 TRP 10 -3.704 4.118 -2.293
79 HE1 TRP 10 HE1 TRP 10 -2.492 5.637 -0.598
80 HE3 TRP 10 HE3 TRP 10 -6.032 2.665 2.011
81 HZ2 TRP 10 HZ2 TRP 10 -2.510 6.165 2.214
82 HZ3 TRP 10 HZ3 TRP 10 -5.418 3.690 4.181
83 HH2 TRP 10 HH2 TRP 10 -3.661 5.437 4.289
84 H GLN 11 H GLN 11 -5.220 0.291 0.842
85 HA GLN 11 HA GLN 11 -2.710 0.850 2.053
86 HB2 GLN 11 HB2 GLN 11 -5.111 -0.027 2.881
87 HB3 GLN 11 HB3 GLN 11 -4.274 -1.578 2.840
88 HG2 GLN 11 HG2 GLN 11 -3.286 -1.086 4.799
89 HG3 GLN 11 HG3 GLN 11 -2.511 0.308 4.048
90 HE21 GLN 11 HE21 GLN 11 -2.993 2.218 5.138
91 HE22 GLN 11 HE22 GLN 11 -4.456 2.545 5.933
92 H ARG 12 H ARG 12 -3.871 -2.198 0.540
93 HA ARG 12 HA ARG 12 -1.407 -3.654 0.907
94 HB2 ARG 12 HB2 ARG 12 -4.015 -3.937 -0.393
95 HB3 ARG 12 HB3 ARG 12 -2.725 -4.685 -1.333
96 HG2 ARG 12 HG2 ARG 12 -3.402 -6.400 0.138
97 HG3 ARG 12 HG3 ARG 12 -1.966 -5.730 0.913
98 HD2 ARG 12 HD2 ARG 12 -4.487 -4.373 1.662
99 HD3 ARG 12 HD3 ARG 12 -4.368 -6.060 2.195
100 HE ARG 12 HE ARG 12 -2.652 -3.854 3.097
101 HH11 ARG 12 HH11 ARG 12 -3.798 -6.370 4.559
102 HH12 ARG 12 HH12 ARG 12 -2.320 -7.190 4.941
103 HH21 ARG 12 HH21 ARG 12 -0.392 -5.285 2.763
104 HH22 ARG 12 HH22 ARG 12 -0.386 -6.574 3.919
105 H TRP 13 H TRP 13 -2.665 -1.613 -1.727
106 HA TRP 13 HA TRP 13 -0.713 -2.127 -3.734
107 HB2 TRP 13 HB2 TRP 13 -2.883 -0.389 -3.236
108 HB3 TRP 13 HB3 TRP 13 -1.515 0.667 -3.553
109 HD1 TRP 13 HD1 TRP 13 -4.068 0.072 -5.498
110 HE1 TRP 13 HE1 TRP 13 -3.574 -0.645 -7.929
111 HE3 TRP 13 HE3 TRP 13 0.740 -1.553 -4.973
112 HZ2 TRP 13 HZ2 TRP 13 -1.418 -1.757 -9.445
113 HZ3 TRP 13 HZ3 TRP 13 1.991 -2.433 -6.922
114 HH2 TRP 13 HH2 TRP 13 0.921 -2.535 -9.156
115 H GLU 14 H GLU 14 -0.808 0.575 -1.404
116 HA GLU 14 HA GLU 14 1.887 1.462 -1.960
117 HB2 GLU 14 HB2 GLU 14 0.001 1.971 0.362
118 HB3 GLU 14 HB3 GLU 14 1.403 2.956 -0.056
119 HG2 GLU 14 HG2 GLU 14 0.134 2.901 -2.459
120 HG3 GLU 14 HG3 GLU 14 -1.253 2.786 -1.381
121 H ASN 15 H ASN 15 0.481 -0.775 0.406
122 HA ASN 15 HA ASN 15 2.551 -0.933 2.319
123 HB2 ASN 15 HB2 ASN 15 0.547 -2.131 2.711
124 HB3 ASN 15 HB3 ASN 15 0.593 -2.897 1.125
125 HD21 ASN 15 HD21 ASN 15 3.260 -2.681 3.548
126 HD22 ASN 15 HD22 ASN 15 3.416 -4.361 3.732
127 H TRP 16 H TRP 16 2.224 -2.774 -0.744
128 HA TRP 16 HA TRP 16 4.795 -4.091 -0.527
129 HB2 TRP 16 HB2 TRP 16 3.255 -5.137 -1.958
130 HB3 TRP 16 HB3 TRP 16 2.698 -3.609 -2.636
131 HD1 TRP 16 HD1 TRP 16 5.621 -6.085 -2.833
132 HE1 TRP 16 HE1 TRP 16 6.892 -5.686 -5.040
133 HE3 TRP 16 HE3 TRP 16 3.195 -1.912 -4.510
134 HZ2 TRP 16 HZ2 TRP 16 6.883 -3.843 -7.224
135 HZ3 TRP 16 HZ3 TRP 16 3.848 -0.857 -6.654
136 HH2 TRP 16 HH2 TRP 16 5.686 -1.816 -8.014
137 H PHE 17 H PHE 17 3.637 -1.187 -2.262
138 HA PHE 17 HA PHE 17 6.024 -0.485 -3.620
139 HB2 PHE 17 HB2 PHE 17 3.820 0.526 -4.009
140 HB3 PHE 17 HB3 PHE 17 3.832 1.223 -2.390
141 HD1 PHE 17 HD1 PHE 17 5.755 1.183 -5.600
142 HD2 PHE 17 HD2 PHE 17 4.788 3.342 -2.013
143 HE1 PHE 17 HE1 PHE 17 6.982 3.159 -6.457
144 HE2 PHE 17 HE2 PHE 17 6.014 5.317 -2.872
145 HZ PHE 17 HZ PHE 17 7.113 5.226 -5.094
146 H TRP 18 H TRP 18 4.850 0.803 -0.475
147 HA TRP 18 HA TRP 18 7.222 2.248 0.188
148 HB2 TRP 18 HB2 TRP 18 5.023 0.963 1.834
149 HB3 TRP 18 HB3 TRP 18 6.242 2.028 2.530
150 HD1 TRP 18 HD1 TRP 18 2.886 2.322 1.667
151 HE1 TRP 18 HE1 TRP 18 2.235 4.637 0.736
152 HE3 TRP 18 HE3 TRP 18 7.514 4.127 0.473
153 HZ2 TRP 18 HZ2 TRP 18 3.510 6.945 -0.364
154 HZ3 TRP 18 HZ3 TRP 18 7.765 6.385 -0.513
155 HH2 TRP 18 HH2 TRP 18 5.770 7.795 -0.934
156 H ASN 19 H ASN 19 6.306 -1.149 0.722
157 HA ASN 19 HA ASN 19 8.382 -1.895 2.531
158 HB2 ASN 19 HB2 ASN 19 6.370 -3.225 1.934
159 HB3 ASN 19 HB3 ASN 19 7.035 -3.485 0.321
160 HD21 ASN 19 HD21 ASN 19 7.363 -4.386 3.729
161 HD22 ASN 19 HD22 ASN 19 8.473 -5.642 3.470
162 H VAL 20 H VAL 20 8.347 -1.859 -1.060
163 HA VAL 20 HA VAL 20 11.202 -2.686 -1.106
164 HB VAL 20 HB VAL 20 10.796 -2.891 -3.533
165 HG11 VAL 20 HG11 VAL 20 9.510 -4.812 -3.378
166 HG12 VAL 20 HG12 VAL 20 8.337 -4.068 -2.292
167 HG13 VAL 20 HG13 VAL 20 9.914 -4.570 -1.678
168 HG21 VAL 20 HG21 VAL 20 9.001 -0.892 -3.281
169 HG22 VAL 20 HG22 VAL 20 7.898 -2.267 -3.221
170 HG23 VAL 20 HG23 VAL 20 8.953 -2.044 -4.615
171 H THR 21 H THR 21 9.431 0.251 -1.081
172 HA THR 21 HA THR 21 11.469 1.731 -2.657
173 HB THR 21 HB THR 21 8.836 2.492 -1.353
174 HG1 THR 21 HG1 THR 21 8.333 1.423 -3.134
175 HG21 THR 21 HG21 THR 21 10.679 4.138 -3.109
176 HG22 THR 21 HG22 THR 21 10.342 4.431 -1.403
177 HG23 THR 21 HG23 THR 21 9.061 4.620 -2.600
178 H LEU 22 H LEU 22 10.197 1.513 0.655
179 HA LEU 22 HA LEU 22 12.033 3.581 1.656
180 HB2 LEU 22 HB2 LEU 22 10.138 1.642 3.016
181 HB3 LEU 22 HB3 LEU 22 10.958 2.976 3.825
182 HG LEU 22 HG LEU 22 9.214 3.415 1.394
183 HD11 LEU 22 HD11 LEU 22 7.991 2.288 3.335
184 HD12 LEU 22 HD12 LEU 22 7.342 3.842 2.812
185 HD13 LEU 22 HD13 LEU 22 8.332 3.745 4.268
186 HD21 LEU 22 HD21 LEU 22 10.340 5.153 3.605
187 HD22 LEU 22 HD22 LEU 22 9.058 5.703 2.525
188 HD23 LEU 22 HD23 LEU 22 10.642 5.280 1.872
189 H ARG 23 H ARG 23 12.167 0.156 1.174
190 HA ARG 23 HA ARG 23 13.955 -0.587 3.293
191 HB2 ARG 23 HB2 ARG 23 12.667 -1.755 1.056
192 HB3 ARG 23 HB3 ARG 23 14.387 -2.078 0.850
193 HG2 ARG 23 HG2 ARG 23 13.456 -2.458 3.612
194 HG3 ARG 23 HG3 ARG 23 12.681 -3.540 2.456
195 HD2 ARG 23 HD2 ARG 23 14.809 -4.393 1.698
196 HD3 ARG 23 HD3 ARG 23 15.690 -3.149 2.609
197 HE ARG 23 HE ARG 23 13.906 -5.014 4.103
198 HH11 ARG 23 HH11 ARG 23 15.802 -3.079 5.440
199 HH12 ARG 23 HH12 ARG 23 17.123 -4.117 5.862
200 HH21 ARG 23 HH21 ARG 23 16.138 -6.673 3.720
201 HH22 ARG 23 HH22 ARG 23 17.316 -6.159 4.882
202 HA PRO 24 HA PRO 24 17.521 0.210 0.186
203 HB2 PRO 24 HB2 PRO 24 16.966 1.599 -2.107
204 HB3 PRO 24 HB3 PRO 24 16.881 -0.171 -2.004
205 HG2 PRO 24 HG2 PRO 24 14.687 1.837 -1.907
206 HG3 PRO 24 HG3 PRO 24 14.730 0.249 -2.688
207 HD2 PRO 24 HD2 PRO 24 13.491 0.719 -0.312
208 HD3 PRO 24 HD3 PRO 24 14.174 -0.856 -0.764
209 H GLU 25 H GLU 25 18.883 2.133 0.004
210 HA GLU 25 HA GLU 25 17.777 4.462 1.472
211 HB2 GLU 25 HB2 GLU 25 20.505 3.415 0.717
212 HB3 GLU 25 HB3 GLU 25 20.313 5.049 1.351
213 HG2 GLU 25 HG2 GLU 25 18.942 3.914 3.249
214 HG3 GLU 25 HG3 GLU 25 19.721 2.426 2.711
215 H ARG 26 H ARG 26 19.323 3.716 -1.662
216 HA ARG 26 HA ARG 26 18.318 6.343 -2.696
217 HB2 ARG 26 HB2 ARG 26 21.076 5.101 -2.922
218 HB3 ARG 26 HB3 ARG 26 20.543 6.428 -3.952
219 HG2 ARG 26 HG2 ARG 26 20.396 6.589 -0.935
220 HG3 ARG 26 HG3 ARG 26 21.838 7.072 -1.827
221 HD2 ARG 26 HD2 ARG 26 20.876 9.016 -2.527
222 HD3 ARG 26 HD3 ARG 26 19.350 8.206 -2.933
223 HE ARG 26 HE ARG 26 18.666 8.404 -0.605
224 HH11 ARG 26 HH11 ARG 26 19.524 11.222 -1.184
225 HH12 ARG 26 HH12 ARG 26 20.561 11.569 0.159
226 HH21 ARG 26 HH21 ARG 26 20.950 8.233 1.057
227 HH22 ARG 26 HH22 ARG 26 21.372 9.872 1.433
Start of MODEL 5
1 HA ARG 1 HA ARG 1 -11.662 4.148 -6.676
2 HB2 ARG 1 HB2 ARG 1 -12.101 5.286 -8.990
3 HB3 ARG 1 HB3 ARG 1 -13.542 5.943 -8.214
4 HG2 ARG 1 HG2 ARG 1 -12.145 6.924 -6.435
5 HG3 ARG 1 HG3 ARG 1 -10.700 6.260 -7.200
6 HD2 ARG 1 HD2 ARG 1 -11.324 7.567 -9.291
7 HD3 ARG 1 HD3 ARG 1 -12.560 8.385 -8.314
8 HE ARG 1 HE ARG 1 -9.631 8.448 -7.682
9 HH11 ARG 1 HH11 ARG 1 -11.442 9.088 -5.399
10 HH12 ARG 1 HH12 ARG 1 -11.607 10.807 -5.522
11 HH21 ARG 1 HH21 ARG 1 -10.430 10.945 -8.791
12 HH22 ARG 1 HH22 ARG 1 -11.028 11.864 -7.450
13 H SER 2 H SER 2 -13.057 2.918 -5.039
14 HA SER 2 HA SER 2 -15.404 4.590 -4.178
15 HB2 SER 2 HB2 SER 2 -15.320 1.927 -4.988
16 HB3 SER 2 HB3 SER 2 -15.322 1.820 -3.231
17 HG SER 2 HG SER 2 -17.322 2.449 -3.242
18 H ALA 3 H ALA 3 -15.475 5.147 -1.991
19 HA ALA 3 HA ALA 3 -13.015 5.102 -0.464
20 HB1 ALA 3 HB1 ALA 3 -14.506 6.146 1.262
21 HB2 ALA 3 HB2 ALA 3 -15.891 5.777 0.234
22 HB3 ALA 3 HB3 ALA 3 -14.656 6.905 -0.322
23 H LEU 4 H LEU 4 -15.950 3.100 -0.430
24 HA LEU 4 HA LEU 4 -15.088 1.681 2.022
25 HB2 LEU 4 HB2 LEU 4 -17.484 2.418 1.191
26 HB3 LEU 4 HB3 LEU 4 -17.408 0.914 0.274
27 HG LEU 4 HG LEU 4 -16.572 0.003 2.675
28 HD11 LEU 4 HD11 LEU 4 -18.577 2.182 3.329
29 HD12 LEU 4 HD12 LEU 4 -16.850 2.291 3.671
30 HD13 LEU 4 HD13 LEU 4 -17.830 1.059 4.466
31 HD21 LEU 4 HD21 LEU 4 -18.762 -0.929 2.925
32 HD22 LEU 4 HD22 LEU 4 -18.529 -0.720 1.190
33 HD23 LEU 4 HD23 LEU 4 -19.513 0.432 2.094
34 H VAL 5 H VAL 5 -14.264 1.434 -1.214
35 HA VAL 5 HA VAL 5 -13.822 -1.529 -0.985
36 HB VAL 5 HB VAL 5 -14.418 0.198 -3.415
37 HG11 VAL 5 HG11 VAL 5 -13.592 -2.670 -3.081
38 HG12 VAL 5 HG12 VAL 5 -13.085 -1.499 -4.297
39 HG13 VAL 5 HG13 VAL 5 -14.684 -2.234 -4.396
40 HG21 VAL 5 HG21 VAL 5 -16.048 -1.981 -2.063
41 HG22 VAL 5 HG22 VAL 5 -16.528 -1.061 -3.488
42 HG23 VAL 5 HG23 VAL 5 -16.369 -0.252 -1.930
43 H ASN 6 H ASN 6 -12.593 1.477 -2.516
44 HA ASN 6 HA ASN 6 -10.042 0.368 -3.278
45 HB2 ASN 6 HB2 ASN 6 -11.230 2.403 -4.201
46 HB3 ASN 6 HB3 ASN 6 -10.774 3.257 -2.727
47 HD21 ASN 6 HD21 ASN 6 -9.133 4.673 -3.480
48 HD22 ASN 6 HD22 ASN 6 -7.738 4.148 -4.294
49 H SER 7 H SER 7 -11.252 1.515 -0.205
50 HA SER 7 HA SER 7 -8.962 2.536 1.073
51 HB2 SER 7 HB2 SER 7 -11.367 2.236 1.911
52 HB3 SER 7 HB3 SER 7 -10.922 0.577 2.301
53 HG SER 7 HG SER 7 -10.632 2.025 4.068
54 H TYR 8 H TYR 8 -9.972 -0.907 0.887
55 HA TYR 8 HA TYR 8 -7.507 -1.904 2.077
56 HB2 TYR 8 HB2 TYR 8 -9.560 -3.154 2.284
57 HB3 TYR 8 HB3 TYR 8 -9.819 -3.130 0.540
58 HD1 TYR 8 HD1 TYR 8 -7.607 -4.459 3.226
59 HD2 TYR 8 HD2 TYR 8 -8.817 -4.753 -0.885
60 HE1 TYR 8 HE2 TYR 8 -6.330 -6.572 3.000
61 HE2 TYR 8 HE1 TYR 8 -7.541 -6.865 -1.110
62 HH TYR 8 HH TYR 8 -5.253 -7.883 1.127
63 H LEU 9 H LEU 9 -8.778 -1.604 -1.246
64 HA LEU 9 HA LEU 9 -6.700 -2.945 -2.652
65 HB2 LEU 9 HB2 LEU 9 -8.651 -0.726 -3.249
66 HB3 LEU 9 HB3 LEU 9 -7.490 -1.233 -4.474
67 HG LEU 9 HG LEU 9 -9.364 -3.137 -3.041
68 HD11 LEU 9 HD11 LEU 9 -10.671 -1.576 -4.396
69 HD12 LEU 9 HD12 LEU 9 -10.624 -3.149 -5.192
70 HD13 LEU 9 HD13 LEU 9 -9.600 -1.836 -5.773
71 HD21 LEU 9 HD21 LEU 9 -7.474 -3.376 -5.398
72 HD22 LEU 9 HD22 LEU 9 -8.729 -4.568 -5.059
73 HD23 LEU 9 HD23 LEU 9 -7.438 -4.291 -3.891
74 H TRP 10 H TRP 10 -6.925 0.427 -1.512
75 HA TRP 10 HA TRP 10 -4.534 1.388 -2.809
76 HB2 TRP 10 HB2 TRP 10 -6.146 2.966 -2.051
77 HB3 TRP 10 HB3 TRP 10 -6.237 2.227 -0.454
78 HD1 TRP 10 HD1 TRP 10 -3.879 4.340 -2.626
79 HE1 TRP 10 HE1 TRP 10 -2.258 5.614 -1.081
80 HE3 TRP 10 HE3 TRP 10 -5.173 2.302 1.869
81 HZ2 TRP 10 HZ2 TRP 10 -1.595 5.745 1.698
82 HZ3 TRP 10 HZ3 TRP 10 -4.030 3.015 3.948
83 HH2 TRP 10 HH2 TRP 10 -2.243 4.733 3.869
84 H GLN 11 H GLN 11 -5.144 0.262 0.548
85 HA GLN 11 HA GLN 11 -2.440 0.523 1.458
86 HB2 GLN 11 HB2 GLN 11 -4.623 0.229 2.770
87 HB3 GLN 11 HB3 GLN 11 -4.501 -1.492 2.399
88 HG2 GLN 11 HG2 GLN 11 -1.952 -0.841 3.311
89 HG3 GLN 11 HG3 GLN 11 -3.019 0.091 4.362
90 HE21 GLN 11 HE21 GLN 11 -3.091 -1.175 6.261
91 HE22 GLN 11 HE22 GLN 11 -3.529 -2.815 6.292
92 H ARG 12 H ARG 12 -4.214 -2.257 0.053
93 HA ARG 12 HA ARG 12 -2.130 -4.206 0.295
94 HB2 ARG 12 HB2 ARG 12 -4.666 -4.329 -0.367
95 HB3 ARG 12 HB3 ARG 12 -4.072 -4.069 -2.008
96 HG2 ARG 12 HG2 ARG 12 -2.653 -6.138 -0.412
97 HG3 ARG 12 HG3 ARG 12 -4.300 -6.528 -0.906
98 HD2 ARG 12 HD2 ARG 12 -3.595 -5.775 -3.273
99 HD3 ARG 12 HD3 ARG 12 -1.929 -5.878 -2.670
100 HE ARG 12 HE ARG 12 -3.783 -8.152 -3.015
101 HH11 ARG 12 HH11 ARG 12 -0.755 -7.784 -3.719
102 HH12 ARG 12 HH12 ARG 12 -0.054 -8.918 -2.614
103 HH21 ARG 12 HH21 ARG 12 -2.943 -9.252 -0.711
104 HH22 ARG 12 HH22 ARG 12 -1.297 -9.754 -0.906
105 H TRP 13 H TRP 13 -2.591 -1.546 -1.941
106 HA TRP 13 HA TRP 13 -0.644 -2.524 -3.923
107 HB2 TRP 13 HB2 TRP 13 -2.804 -0.760 -3.832
108 HB3 TRP 13 HB3 TRP 13 -1.411 0.310 -3.950
109 HD1 TRP 13 HD1 TRP 13 -3.539 -0.173 -6.288
110 HE1 TRP 13 HE1 TRP 13 -2.696 -0.994 -8.585
111 HE3 TRP 13 HE3 TRP 13 0.950 -2.162 -4.912
112 HZ2 TRP 13 HZ2 TRP 13 -0.409 -2.318 -9.687
113 HZ3 TRP 13 HZ3 TRP 13 2.443 -3.195 -6.598
114 HH2 TRP 13 HH2 TRP 13 1.770 -3.273 -8.982
115 H GLU 14 H GLU 14 -0.860 0.296 -1.736
116 HA GLU 14 HA GLU 14 1.871 1.123 -2.118
117 HB2 GLU 14 HB2 GLU 14 -0.168 1.705 0.048
118 HB3 GLU 14 HB3 GLU 14 1.297 2.642 -0.246
119 HG2 GLU 14 HG2 GLU 14 0.205 2.551 -2.762
120 HG3 GLU 14 HG3 GLU 14 -1.243 2.602 -1.758
121 H ASN 15 H ASN 15 0.395 -1.221 0.067
122 HA ASN 15 HA ASN 15 2.239 -1.294 2.198
123 HB2 ASN 15 HB2 ASN 15 0.268 -2.668 2.202
124 HB3 ASN 15 HB3 ASN 15 0.731 -3.451 0.693
125 HD21 ASN 15 HD21 ASN 15 2.929 -2.841 3.474
126 HD22 ASN 15 HD22 ASN 15 3.195 -4.483 3.814
127 H TRP 16 H TRP 16 2.427 -3.180 -0.860
128 HA TRP 16 HA TRP 16 5.117 -4.134 -0.390
129 HB2 TRP 16 HB2 TRP 16 3.911 -5.412 -1.925
130 HB3 TRP 16 HB3 TRP 16 3.144 -4.002 -2.650
131 HD1 TRP 16 HD1 TRP 16 6.419 -5.987 -2.690
132 HE1 TRP 16 HE1 TRP 16 7.731 -5.379 -4.823
133 HE3 TRP 16 HE3 TRP 16 3.494 -2.195 -4.473
134 HZ2 TRP 16 HZ2 TRP 16 7.564 -3.529 -6.997
135 HZ3 TRP 16 HZ3 TRP 16 4.096 -1.029 -6.575
136 HH2 TRP 16 HH2 TRP 16 6.125 -1.690 -7.838
137 H PHE 17 H PHE 17 3.759 -1.396 -2.226
138 HA PHE 17 HA PHE 17 6.098 -0.426 -3.481
139 HB2 PHE 17 HB2 PHE 17 3.972 0.455 -4.073
140 HB3 PHE 17 HB3 PHE 17 3.572 0.827 -2.400
141 HD1 PHE 17 HD1 PHE 17 6.158 1.679 -4.988
142 HD2 PHE 17 HD2 PHE 17 3.796 3.024 -1.662
143 HE1 PHE 17 HE2 PHE 17 7.058 3.971 -5.276
144 HE2 PHE 17 HE1 PHE 17 4.696 5.317 -1.952
145 HZ PHE 17 HZ PHE 17 6.327 5.790 -3.756
146 H TRP 18 H TRP 18 4.726 0.666 -0.335
147 HA TRP 18 HA TRP 18 6.900 2.377 0.376
148 HB2 TRP 18 HB2 TRP 18 4.808 0.842 1.935
149 HB3 TRP 18 HB3 TRP 18 5.934 1.944 2.722
150 HD1 TRP 18 HD1 TRP 18 2.590 2.013 1.637
151 HE1 TRP 18 HE1 TRP 18 1.806 4.349 0.874
152 HE3 TRP 18 HE3 TRP 18 7.114 4.302 1.033
153 HZ2 TRP 18 HZ2 TRP 18 2.950 6.857 0.116
154 HZ3 TRP 18 HZ3 TRP 18 7.238 6.662 0.292
155 HH2 TRP 18 HH2 TRP 18 5.164 7.942 -0.167
156 H ASN 19 H ASN 19 6.332 -1.090 1.079
157 HA ASN 19 HA ASN 19 8.458 -1.584 2.860
158 HB2 ASN 19 HB2 ASN 19 6.818 -3.085 0.911
159 HB3 ASN 19 HB3 ASN 19 8.343 -3.859 1.346
160 HD21 ASN 19 HD21 ASN 19 5.270 -2.651 2.686
161 HD22 ASN 19 HD22 ASN 19 5.401 -3.476 4.163
162 H VAL 20 H VAL 20 8.583 -1.567 -0.731
163 HA VAL 20 HA VAL 20 11.499 -2.083 -0.659
164 HB VAL 20 HB VAL 20 11.233 -2.153 -3.122
165 HG11 VAL 20 HG11 VAL 20 10.621 -4.097 -1.565
166 HG12 VAL 20 HG12 VAL 20 9.961 -4.159 -3.199
167 HG13 VAL 20 HG13 VAL 20 8.938 -3.655 -1.854
168 HG21 VAL 20 HG21 VAL 20 9.407 -0.352 -3.121
169 HG22 VAL 20 HG22 VAL 20 8.286 -1.632 -2.664
170 HG23 VAL 20 HG23 VAL 20 9.144 -1.722 -4.200
171 H THR 21 H THR 21 9.338 0.656 -0.954
172 HA THR 21 HA THR 21 11.334 2.427 -2.175
173 HB THR 21 HB THR 21 8.627 2.882 -0.876
174 HG1 THR 21 HG1 THR 21 8.230 1.848 -2.707
175 HG21 THR 21 HG21 THR 21 10.407 4.742 -2.472
176 HG22 THR 21 HG22 THR 21 9.873 4.957 -0.805
177 HG23 THR 21 HG23 THR 21 8.709 5.062 -2.125
178 H LEU 22 H LEU 22 10.307 1.560 1.065
179 HA LEU 22 HA LEU 22 11.621 3.846 2.356
180 HB2 LEU 22 HB2 LEU 22 10.333 1.278 3.316
181 HB3 LEU 22 HB3 LEU 22 10.994 2.487 4.416
182 HG LEU 22 HG LEU 22 8.945 3.179 2.299
183 HD11 LEU 22 HD11 LEU 22 7.193 2.775 3.796
184 HD12 LEU 22 HD12 LEU 22 8.259 2.780 5.200
185 HD13 LEU 22 HD13 LEU 22 8.257 1.403 4.100
186 HD21 LEU 22 HD21 LEU 22 8.591 4.941 4.298
187 HD22 LEU 22 HD22 LEU 22 9.781 5.200 3.024
188 HD23 LEU 22 HD23 LEU 22 10.287 4.552 4.584
189 H ARG 23 H ARG 23 12.649 0.799 1.153
190 HA ARG 23 HA ARG 23 14.699 0.103 3.027
191 HB2 ARG 23 HB2 ARG 23 14.094 -0.434 0.131
192 HB3 ARG 23 HB3 ARG 23 15.626 -0.986 0.810
193 HG2 ARG 23 HG2 ARG 23 13.454 -1.612 2.616
194 HG3 ARG 23 HG3 ARG 23 13.116 -2.261 1.012
195 HD2 ARG 23 HD2 ARG 23 15.012 -3.640 1.023
196 HD3 ARG 23 HD3 ARG 23 15.852 -2.639 2.224
197 HE ARG 23 HE ARG 23 14.625 -3.736 3.940
198 HH11 ARG 23 HH11 ARG 23 14.670 -6.199 2.312
199 HH12 ARG 23 HH12 ARG 23 12.994 -6.620 2.193
200 HH21 ARG 23 HH21 ARG 23 11.868 -3.472 3.143
201 HH22 ARG 23 HH22 ARG 23 11.402 -5.072 2.669
202 HA PRO 24 HA PRO 24 17.729 2.587 0.248
203 HB2 PRO 24 HB2 PRO 24 16.681 4.288 -1.623
204 HB3 PRO 24 HB3 PRO 24 17.072 2.592 -1.968
205 HG2 PRO 24 HG2 PRO 24 14.437 3.845 -1.380
206 HG3 PRO 24 HG3 PRO 24 14.848 2.568 -2.535
207 HD2 PRO 24 HD2 PRO 24 13.682 2.092 -0.124
208 HD3 PRO 24 HD3 PRO 24 14.723 0.919 -0.958
209 H GLU 25 H GLU 25 18.203 5.115 -0.014
210 HA GLU 25 HA GLU 25 17.506 6.410 2.459
211 HB2 GLU 25 HB2 GLU 25 19.267 6.746 0.232
212 HB3 GLU 25 HB3 GLU 25 18.415 8.271 0.470
213 HG2 GLU 25 HG2 GLU 25 19.562 6.823 2.842
214 HG3 GLU 25 HG3 GLU 25 20.615 7.805 1.825
215 H ARG 26 H ARG 26 16.493 8.667 2.500
216 HA ARG 26 HA ARG 26 14.062 8.721 0.740
217 HB2 ARG 26 HB2 ARG 26 14.657 9.392 3.608
218 HB3 ARG 26 HB3 ARG 26 13.315 10.200 2.803
219 HG2 ARG 26 HG2 ARG 26 12.214 8.336 3.624
220 HG3 ARG 26 HG3 ARG 26 12.716 7.721 2.051
221 HD2 ARG 26 HD2 ARG 26 13.393 6.014 3.555
222 HD3 ARG 26 HD3 ARG 26 14.880 6.946 3.311
223 HE ARG 26 HE ARG 26 13.242 6.927 5.760
224 HH11 ARG 26 HH11 ARG 26 16.354 7.139 4.961
225 HH12 ARG 26 HH12 ARG 26 16.722 8.622 5.775
226 HH21 ARG 26 HH21 ARG 26 13.391 9.441 6.349
227 HH22 ARG 26 HH22 ARG 26 15.038 9.928 6.569
Start of MODEL 6
1 HA ARG 1 HA ARG 1 -17.683 -1.316 -8.185
2 HB2 ARG 1 HB2 ARG 1 -16.224 0.546 -7.644
3 HB3 ARG 1 HB3 ARG 1 -17.192 1.013 -9.041
4 HG2 ARG 1 HG2 ARG 1 -18.811 1.881 -7.037
5 HG3 ARG 1 HG3 ARG 1 -17.236 2.073 -6.267
6 HD2 ARG 1 HD2 ARG 1 -16.637 3.149 -8.662
7 HD3 ARG 1 HD3 ARG 1 -18.374 3.511 -8.622
8 HE ARG 1 HE ARG 1 -16.388 4.422 -6.589
9 HH11 ARG 1 HH11 ARG 1 -17.897 6.385 -8.259
10 HH12 ARG 1 HH12 ARG 1 -19.190 6.853 -7.207
11 HH21 ARG 1 HH21 ARG 1 -18.774 4.149 -5.062
12 HH22 ARG 1 HH22 ARG 1 -19.687 5.584 -5.388
13 H SER 2 H SER 2 -16.674 -1.621 -6.023
14 HA SER 2 HA SER 2 -18.717 -1.620 -3.871
15 HB2 SER 2 HB2 SER 2 -17.143 -3.548 -4.616
16 HB3 SER 2 HB3 SER 2 -15.885 -2.671 -3.745
17 HG SER 2 HG SER 2 -17.542 -4.338 -2.708
18 H ALA 3 H ALA 3 -17.492 -1.256 -1.572
19 HA ALA 3 HA ALA 3 -16.125 1.414 -1.759
20 HB1 ALA 3 HB1 ALA 3 -17.251 1.710 0.529
21 HB2 ALA 3 HB2 ALA 3 -18.157 0.244 0.154
22 HB3 ALA 3 HB3 ALA 3 -18.326 1.672 -0.867
23 H LEU 4 H LEU 4 -16.417 -1.539 0.273
24 HA LEU 4 HA LEU 4 -13.930 -0.880 1.718
25 HB2 LEU 4 HB2 LEU 4 -16.115 -2.928 1.828
26 HB3 LEU 4 HB3 LEU 4 -14.585 -3.294 2.626
27 HG LEU 4 HG LEU 4 -15.673 -0.580 3.128
28 HD11 LEU 4 HD11 LEU 4 -17.312 -1.363 4.760
29 HD12 LEU 4 HD12 LEU 4 -16.936 -3.042 4.373
30 HD13 LEU 4 HD13 LEU 4 -17.716 -2.013 3.172
31 HD21 LEU 4 HD21 LEU 4 -14.851 -1.091 5.388
32 HD22 LEU 4 HD22 LEU 4 -13.614 -1.482 4.194
33 HD23 LEU 4 HD23 LEU 4 -14.573 -2.769 4.924
34 H VAL 5 H VAL 5 -14.081 -1.746 -1.323
35 HA VAL 5 HA VAL 5 -12.213 -4.077 -1.155
36 HB VAL 5 HB VAL 5 -13.888 -2.895 -3.400
37 HG11 VAL 5 HG11 VAL 5 -12.135 -3.829 -4.602
38 HG12 VAL 5 HG12 VAL 5 -13.164 -5.247 -4.404
39 HG13 VAL 5 HG13 VAL 5 -11.769 -5.015 -3.349
40 HG21 VAL 5 HG21 VAL 5 -14.097 -5.423 -1.736
41 HG22 VAL 5 HG22 VAL 5 -15.046 -5.133 -3.195
42 HG23 VAL 5 HG23 VAL 5 -15.247 -4.086 -1.789
43 H ASN 6 H ASN 6 -12.647 -1.070 -3.078
44 HA ASN 6 HA ASN 6 -9.929 -0.979 -4.030
45 HB2 ASN 6 HB2 ASN 6 -12.187 1.020 -3.758
46 HB3 ASN 6 HB3 ASN 6 -10.644 1.450 -4.496
47 HD21 ASN 6 HD21 ASN 6 -13.711 0.184 -5.202
48 HD22 ASN 6 HD22 ASN 6 -13.344 -0.533 -6.695
49 H SER 7 H SER 7 -11.560 0.546 -1.223
50 HA SER 7 HA SER 7 -9.443 2.238 -0.358
51 HB2 SER 7 HB2 SER 7 -11.888 1.915 0.482
52 HB3 SER 7 HB3 SER 7 -11.219 0.644 1.501
53 HG SER 7 HG SER 7 -9.794 2.202 2.372
54 H TYR 8 H TYR 8 -10.168 -1.135 0.651
55 HA TYR 8 HA TYR 8 -7.821 -1.541 2.236
56 HB2 TYR 8 HB2 TYR 8 -9.607 -3.084 2.462
57 HB3 TYR 8 HB3 TYR 8 -9.769 -3.287 0.719
58 HD1 TYR 8 HD1 TYR 8 -7.314 -3.843 3.502
59 HD2 TYR 8 HD2 TYR 8 -8.779 -5.137 -0.323
60 HE1 TYR 8 HE1 TYR 8 -5.801 -5.806 3.586
61 HE2 TYR 8 HE2 TYR 8 -7.267 -7.101 -0.238
62 HH TYR 8 HH TYR 8 -5.901 -8.253 2.426
63 H LEU 9 H LEU 9 -8.495 -2.188 -1.214
64 HA LEU 9 HA LEU 9 -6.012 -3.373 -1.938
65 HB2 LEU 9 HB2 LEU 9 -8.285 -1.956 -3.238
66 HB3 LEU 9 HB3 LEU 9 -6.802 -2.056 -4.184
67 HG LEU 9 HG LEU 9 -8.120 -4.443 -2.861
68 HD11 LEU 9 HD11 LEU 9 -8.176 -3.670 -5.791
69 HD12 LEU 9 HD12 LEU 9 -9.508 -3.356 -4.676
70 HD13 LEU 9 HD13 LEU 9 -9.021 -5.016 -5.025
71 HD21 LEU 9 HD21 LEU 9 -5.869 -5.001 -3.226
72 HD22 LEU 9 HD22 LEU 9 -5.762 -4.020 -4.687
73 HD23 LEU 9 HD23 LEU 9 -6.636 -5.552 -4.715
74 H TRP 10 H TRP 10 -6.999 0.059 -1.839
75 HA TRP 10 HA TRP 10 -4.614 1.193 -2.940
76 HB2 TRP 10 HB2 TRP 10 -6.647 2.465 -2.741
77 HB3 TRP 10 HB3 TRP 10 -6.743 2.159 -1.010
78 HD1 TRP 10 HD1 TRP 10 -4.287 3.855 -3.479
79 HE1 TRP 10 HE1 TRP 10 -3.278 5.920 -2.312
80 HE3 TRP 10 HE3 TRP 10 -6.483 3.429 1.106
81 HZ2 TRP 10 HZ2 TRP 10 -3.388 7.216 0.236
82 HZ3 TRP 10 HZ3 TRP 10 -6.014 5.088 2.885
83 HH2 TRP 10 HH2 TRP 10 -4.470 6.981 2.455
84 H GLN 11 H GLN 11 -5.560 0.652 0.482
85 HA GLN 11 HA GLN 11 -3.207 1.675 1.702
86 HB2 GLN 11 HB2 GLN 11 -5.204 -0.481 2.437
87 HB3 GLN 11 HB3 GLN 11 -3.933 0.035 3.546
88 HG2 GLN 11 HG2 GLN 11 -4.803 2.214 3.730
89 HG3 GLN 11 HG3 GLN 11 -5.743 2.063 2.247
90 HE21 GLN 11 HE21 GLN 11 -5.798 1.538 5.689
91 HE22 GLN 11 HE22 GLN 11 -7.354 0.867 5.767
92 H ARG 12 H ARG 12 -3.892 -1.545 0.349
93 HA ARG 12 HA ARG 12 -1.456 -2.811 1.266
94 HB2 ARG 12 HB2 ARG 12 -3.777 -3.681 0.280
95 HB3 ARG 12 HB3 ARG 12 -2.885 -3.625 -1.240
96 HG2 ARG 12 HG2 ARG 12 -1.102 -5.024 -0.230
97 HG3 ARG 12 HG3 ARG 12 -2.038 -5.113 1.263
98 HD2 ARG 12 HD2 ARG 12 -3.952 -5.937 -0.429
99 HD3 ARG 12 HD3 ARG 12 -2.534 -6.455 -1.362
100 HE ARG 12 HE ARG 12 -2.573 -7.141 1.527
101 HH11 ARG 12 HH11 ARG 12 -0.720 -8.434 -0.450
102 HH12 ARG 12 HH12 ARG 12 -1.498 -9.955 -0.734
103 HH21 ARG 12 HH21 ARG 12 -4.547 -8.939 0.598
104 HH22 ARG 12 HH22 ARG 12 -3.674 -10.244 -0.138
105 H TRP 13 H TRP 13 -2.369 -1.075 -1.722
106 HA TRP 13 HA TRP 13 -0.048 -1.641 -3.271
107 HB2 TRP 13 HB2 TRP 13 -1.281 -0.392 -4.703
108 HB3 TRP 13 HB3 TRP 13 -2.400 -0.055 -3.391
109 HD1 TRP 13 HD1 TRP 13 -2.696 2.397 -2.831
110 HE1 TRP 13 HE1 TRP 13 -1.363 4.564 -3.226
111 HE3 TRP 13 HE3 TRP 13 1.489 0.470 -5.023
112 HZ2 TRP 13 HZ2 TRP 13 1.145 5.377 -4.337
113 HZ3 TRP 13 HZ3 TRP 13 3.332 1.960 -5.746
114 HH2 TRP 13 HH2 TRP 13 3.165 4.410 -5.405
115 H GLU 14 H GLU 14 -0.665 0.920 -0.862
116 HA GLU 14 HA GLU 14 1.879 2.257 -1.157
117 HB2 GLU 14 HB2 GLU 14 -0.083 2.031 1.152
118 HB3 GLU 14 HB3 GLU 14 1.228 3.208 1.066
119 HG2 GLU 14 HG2 GLU 14 0.271 4.237 -0.896
120 HG3 GLU 14 HG3 GLU 14 -0.940 2.962 -1.033
121 H ASN 15 H ASN 15 0.682 -0.183 1.178
122 HA ASN 15 HA ASN 15 3.048 -0.527 2.702
123 HB2 ASN 15 HB2 ASN 15 1.087 -1.542 3.512
124 HB3 ASN 15 HB3 ASN 15 0.679 -2.226 1.940
125 HD21 ASN 15 HD21 ASN 15 3.751 -2.438 3.839
126 HD22 ASN 15 HD22 ASN 15 3.771 -4.135 3.879
127 H TRP 16 H TRP 16 1.971 -2.313 -0.224
128 HA TRP 16 HA TRP 16 4.299 -3.967 -0.481
129 HB2 TRP 16 HB2 TRP 16 2.437 -4.630 -1.742
130 HB3 TRP 16 HB3 TRP 16 2.075 -2.982 -2.254
131 HD1 TRP 16 HD1 TRP 16 4.594 -5.817 -2.927
132 HE1 TRP 16 HE1 TRP 16 5.576 -5.490 -5.287
133 HE3 TRP 16 HE3 TRP 16 2.450 -1.350 -4.168
134 HZ2 TRP 16 HZ2 TRP 16 5.468 -3.586 -7.419
135 HZ3 TRP 16 HZ3 TRP 16 2.908 -0.304 -6.366
136 HH2 TRP 16 HH2 TRP 16 4.413 -1.416 -7.992
137 H PHE 17 H PHE 17 3.458 -0.823 -1.982
138 HA PHE 17 HA PHE 17 5.805 -0.448 -3.536
139 HB2 PHE 17 HB2 PHE 17 3.713 0.890 -3.636
140 HB3 PHE 17 HB3 PHE 17 4.089 1.576 -2.056
141 HD1 PHE 17 HD1 PHE 17 5.533 1.158 -5.489
142 HD2 PHE 17 HD2 PHE 17 5.389 3.522 -1.905
143 HE1 PHE 17 HE1 PHE 17 6.939 2.888 -6.574
144 HE2 PHE 17 HE2 PHE 17 6.795 5.251 -2.990
145 HZ PHE 17 HZ PHE 17 7.570 4.935 -5.325
146 H TRP 18 H TRP 18 5.101 0.718 -0.213
147 HA TRP 18 HA TRP 18 7.700 1.823 0.275
148 HB2 TRP 18 HB2 TRP 18 5.499 0.751 2.061
149 HB3 TRP 18 HB3 TRP 18 6.915 1.592 2.687
150 HD1 TRP 18 HD1 TRP 18 3.678 2.529 2.491
151 HE1 TRP 18 HE1 TRP 18 3.249 4.914 1.625
152 HE3 TRP 18 HE3 TRP 18 8.137 3.455 0.164
153 HZ2 TRP 18 HZ2 TRP 18 4.605 6.945 0.146
154 HZ3 TRP 18 HZ3 TRP 18 8.536 5.621 -0.963
155 HH2 TRP 18 HH2 TRP 18 6.778 7.368 -0.975
156 H ASN 19 H ASN 19 6.441 -1.477 0.562
157 HA ASN 19 HA ASN 19 8.621 -2.532 2.149
158 HB2 ASN 19 HB2 ASN 19 6.189 -3.412 0.902
159 HB3 ASN 19 HB3 ASN 19 7.479 -4.524 0.450
160 HD21 ASN 19 HD21 ASN 19 8.685 -5.592 2.247
161 HD22 ASN 19 HD22 ASN 19 7.966 -5.732 3.779
162 H VAL 20 H VAL 20 8.032 -2.345 -1.383
163 HA VAL 20 HA VAL 20 10.632 -3.641 -1.947
164 HB VAL 20 HB VAL 20 9.890 -3.463 -4.285
165 HG11 VAL 20 HG11 VAL 20 8.963 -5.256 -2.769
166 HG12 VAL 20 HG12 VAL 20 7.935 -4.866 -4.147
167 HG13 VAL 20 HG13 VAL 20 7.537 -4.244 -2.546
168 HG21 VAL 20 HG21 VAL 20 7.533 -1.905 -3.172
169 HG22 VAL 20 HG22 VAL 20 7.756 -2.387 -4.853
170 HG23 VAL 20 HG23 VAL 20 8.849 -1.214 -4.121
171 H THR 21 H THR 21 9.277 -0.384 -1.847
172 HA THR 21 HA THR 21 11.535 0.816 -3.299
173 HB THR 21 HB THR 21 9.239 2.004 -1.707
174 HG1 THR 21 HG1 THR 21 8.274 1.115 -3.384
175 HG21 THR 21 HG21 THR 21 9.756 4.003 -3.221
176 HG22 THR 21 HG22 THR 21 11.293 3.207 -3.567
177 HG23 THR 21 HG23 THR 21 10.902 3.693 -1.916
178 H LEU 22 H LEU 22 10.328 0.864 0.070
179 HA LEU 22 HA LEU 22 12.821 2.166 0.991
180 HB2 LEU 22 HB2 LEU 22 10.366 1.183 2.483
181 HB3 LEU 22 HB3 LEU 22 11.628 2.212 3.153
182 HG LEU 22 HG LEU 22 9.996 2.989 0.724
183 HD11 LEU 22 HD11 LEU 22 9.543 3.589 3.660
184 HD12 LEU 22 HD12 LEU 22 8.441 2.759 2.562
185 HD13 LEU 22 HD13 LEU 22 8.769 4.479 2.348
186 HD21 LEU 22 HD21 LEU 22 12.046 4.230 0.874
187 HD22 LEU 22 HD22 LEU 22 11.867 4.441 2.616
188 HD23 LEU 22 HD23 LEU 22 10.786 5.288 1.509
189 H ARG 23 H ARG 23 11.087 -0.907 1.454
190 HA ARG 23 HA ARG 23 11.809 -2.994 2.288
191 HB2 ARG 23 HB2 ARG 23 13.351 -2.170 0.212
192 HB3 ARG 23 HB3 ARG 23 14.593 -2.370 1.447
193 HG2 ARG 23 HG2 ARG 23 14.432 -4.625 1.391
194 HG3 ARG 23 HG3 ARG 23 12.668 -4.578 1.415
195 HD2 ARG 23 HD2 ARG 23 12.505 -4.465 -0.920
196 HD3 ARG 23 HD3 ARG 23 14.144 -3.808 -1.099
197 HE ARG 23 HE ARG 23 15.041 -6.025 -0.624
198 HH11 ARG 23 HH11 ARG 23 12.894 -6.510 -2.745
199 HH12 ARG 23 HH12 ARG 23 12.088 -7.896 -2.092
200 HH21 ARG 23 HH21 ARG 23 13.451 -7.515 1.085
201 HH22 ARG 23 HH22 ARG 23 12.406 -8.469 0.086
202 HA PRO 24 HA PRO 24 13.829 -0.919 5.967
203 HB2 PRO 24 HB2 PRO 24 11.834 -1.467 7.761
204 HB3 PRO 24 HB3 PRO 24 11.864 0.002 6.764
205 HG2 PRO 24 HG2 PRO 24 10.314 -2.511 6.386
206 HG3 PRO 24 HG3 PRO 24 9.826 -0.831 6.111
207 HD2 PRO 24 HD2 PRO 24 10.555 -2.528 4.108
208 HD3 PRO 24 HD3 PRO 24 10.756 -0.765 4.022
209 H GLU 25 H GLU 25 14.541 -2.066 7.968
210 HA GLU 25 HA GLU 25 14.570 -5.034 7.568
211 HB2 GLU 25 HB2 GLU 25 16.697 -4.899 8.852
212 HB3 GLU 25 HB3 GLU 25 16.732 -3.869 7.423
213 HG2 GLU 25 HG2 GLU 25 16.288 -1.895 8.759
214 HG3 GLU 25 HG3 GLU 25 16.023 -2.876 10.201
215 H ARG 26 H ARG 26 12.307 -3.862 8.841
216 HA ARG 26 HA ARG 26 10.982 -4.075 10.773
217 HB2 ARG 26 HB2 ARG 26 13.013 -6.274 10.839
218 HB3 ARG 26 HB3 ARG 26 11.999 -6.051 12.262
219 HG2 ARG 26 HG2 ARG 26 10.735 -6.110 9.535
220 HG3 ARG 26 HG3 ARG 26 11.174 -7.623 10.328
221 HD2 ARG 26 HD2 ARG 26 9.154 -7.462 11.374
222 HD3 ARG 26 HD3 ARG 26 9.906 -6.190 12.356
223 HE ARG 26 HE ARG 26 9.137 -4.569 10.562
224 HH11 ARG 26 HH11 ARG 26 8.211 -6.632 8.587
225 HH12 ARG 26 HH12 ARG 26 6.499 -6.640 8.850
226 HH21 ARG 26 HH21 ARG 26 6.701 -5.016 11.918
227 HH22 ARG 26 HH22 ARG 26 5.640 -5.722 10.745
Start of MODEL 7
1 HA ARG 1 HA ARG 1 -16.788 -3.620 -3.985
2 HB2 ARG 1 HB2 ARG 1 -16.098 -1.990 -5.638
3 HB3 ARG 1 HB3 ARG 1 -16.821 -3.345 -6.500
4 HG2 ARG 1 HG2 ARG 1 -18.120 -1.803 -7.527
5 HG3 ARG 1 HG3 ARG 1 -18.997 -1.692 -6.001
6 HD2 ARG 1 HD2 ARG 1 -17.029 -0.011 -5.370
7 HD3 ARG 1 HD3 ARG 1 -16.933 0.165 -7.134
8 HE ARG 1 HE ARG 1 -19.424 0.643 -5.539
9 HH11 ARG 1 HH11 ARG 1 -17.855 2.941 -6.701
10 HH12 ARG 1 HH12 ARG 1 -18.713 3.250 -8.173
11 HH21 ARG 1 HH21 ARG 1 -20.370 0.193 -8.152
12 HH22 ARG 1 HH22 ARG 1 -20.144 1.686 -8.997
13 H SER 2 H SER 2 -16.371 -1.813 -2.622
14 HA SER 2 HA SER 2 -18.515 0.220 -2.266
15 HB2 SER 2 HB2 SER 2 -18.981 -1.803 -0.838
16 HB3 SER 2 HB3 SER 2 -17.441 -1.529 -0.029
17 HG SER 2 HG SER 2 -19.656 -0.519 0.700
18 H ALA 3 H ALA 3 -17.735 1.815 -0.450
19 HA ALA 3 HA ALA 3 -15.215 2.960 -1.206
20 HB1 ALA 3 HB1 ALA 3 -17.137 4.187 -0.251
21 HB2 ALA 3 HB2 ALA 3 -15.688 4.450 0.720
22 HB3 ALA 3 HB3 ALA 3 -16.930 3.327 1.275
23 H LEU 4 H LEU 4 -16.118 0.709 1.380
24 HA LEU 4 HA LEU 4 -13.612 0.920 2.842
25 HB2 LEU 4 HB2 LEU 4 -16.116 -0.665 2.865
26 HB3 LEU 4 HB3 LEU 4 -14.708 -1.496 3.520
27 HG LEU 4 HG LEU 4 -15.943 -0.256 5.277
28 HD11 LEU 4 HD11 LEU 4 -14.035 0.558 6.341
29 HD12 LEU 4 HD12 LEU 4 -13.376 1.244 4.857
30 HD13 LEU 4 HD13 LEU 4 -13.331 -0.500 5.119
31 HD21 LEU 4 HD21 LEU 4 -15.082 2.257 3.820
32 HD22 LEU 4 HD22 LEU 4 -16.121 2.138 5.240
33 HD23 LEU 4 HD23 LEU 4 -16.701 1.573 3.675
34 H VAL 5 H VAL 5 -14.833 -1.137 0.243
35 HA VAL 5 HA VAL 5 -12.759 -3.128 0.283
36 HB VAL 5 HB VAL 5 -14.565 -2.060 -1.915
37 HG11 VAL 5 HG11 VAL 5 -12.826 -4.540 -1.798
38 HG12 VAL 5 HG12 VAL 5 -12.720 -3.220 -2.963
39 HG13 VAL 5 HG13 VAL 5 -14.113 -4.302 -2.980
40 HG21 VAL 5 HG21 VAL 5 -14.769 -4.472 -0.080
41 HG22 VAL 5 HG22 VAL 5 -15.894 -4.094 -1.384
42 HG23 VAL 5 HG23 VAL 5 -15.765 -3.019 0.008
43 H ASN 6 H ASN 6 -13.144 -0.177 -1.738
44 HA ASN 6 HA ASN 6 -10.652 -0.414 -3.134
45 HB2 ASN 6 HB2 ASN 6 -12.868 1.210 -3.193
46 HB3 ASN 6 HB3 ASN 6 -11.649 2.306 -2.543
47 HD21 ASN 6 HD21 ASN 6 -12.961 1.405 -5.437
48 HD22 ASN 6 HD22 ASN 6 -11.624 1.649 -6.453
49 H SER 7 H SER 7 -11.478 1.146 -0.022
50 HA SER 7 HA SER 7 -9.028 2.527 0.440
51 HB2 SER 7 HB2 SER 7 -11.269 2.530 1.725
52 HB3 SER 7 HB3 SER 7 -10.668 1.089 2.542
53 HG SER 7 HG SER 7 -8.842 2.336 3.178
54 H TYR 8 H TYR 8 -9.989 -0.813 1.302
55 HA TYR 8 HA TYR 8 -7.465 -1.562 2.490
56 HB2 TYR 8 HB2 TYR 8 -9.390 -2.842 3.032
57 HB3 TYR 8 HB3 TYR 8 -9.880 -2.977 1.345
58 HD1 TYR 8 HD1 TYR 8 -6.981 -3.872 3.563
59 HD2 TYR 8 HD2 TYR 8 -9.457 -4.979 0.232
60 HE1 TYR 8 HE1 TYR 8 -5.776 -6.031 3.385
61 HE2 TYR 8 HE2 TYR 8 -8.251 -7.139 0.055
62 HH TYR 8 HH TYR 8 -6.562 -8.492 2.326
63 H LEU 9 H LEU 9 -8.861 -1.974 -0.773
64 HA LEU 9 HA LEU 9 -6.725 -3.442 -1.960
65 HB2 LEU 9 HB2 LEU 9 -9.116 -1.935 -2.734
66 HB3 LEU 9 HB3 LEU 9 -7.845 -1.834 -3.948
67 HG LEU 9 HG LEU 9 -9.291 -3.776 -4.378
68 HD11 LEU 9 HD11 LEU 9 -6.691 -4.846 -3.282
69 HD12 LEU 9 HD12 LEU 9 -6.730 -3.817 -4.714
70 HD13 LEU 9 HD13 LEU 9 -7.573 -5.365 -4.717
71 HD21 LEU 9 HD21 LEU 9 -10.140 -4.315 -2.217
72 HD22 LEU 9 HD22 LEU 9 -8.521 -4.486 -1.542
73 HD23 LEU 9 HD23 LEU 9 -9.133 -5.687 -2.677
74 H TRP 10 H TRP 10 -7.309 0.085 -1.793
75 HA TRP 10 HA TRP 10 -5.030 0.923 -3.297
76 HB2 TRP 10 HB2 TRP 10 -6.707 2.525 -2.874
77 HB3 TRP 10 HB3 TRP 10 -6.807 2.105 -1.165
78 HD1 TRP 10 HD1 TRP 10 -4.336 3.760 -3.633
79 HE1 TRP 10 HE1 TRP 10 -2.937 5.492 -2.332
80 HE3 TRP 10 HE3 TRP 10 -6.107 2.952 1.084
81 HZ2 TRP 10 HZ2 TRP 10 -2.615 6.411 0.358
82 HZ3 TRP 10 HZ3 TRP 10 -5.237 4.266 2.996
83 HH2 TRP 10 HH2 TRP 10 -3.495 5.993 2.640
84 H GLN 11 H GLN 11 -5.426 0.255 0.197
85 HA GLN 11 HA GLN 11 -2.890 1.133 1.117
86 HB2 GLN 11 HB2 GLN 11 -4.849 -1.012 1.941
87 HB3 GLN 11 HB3 GLN 11 -3.349 -0.777 2.839
88 HG2 GLN 11 HG2 GLN 11 -4.583 1.782 2.361
89 HG3 GLN 11 HG3 GLN 11 -5.762 0.695 3.092
90 HE21 GLN 11 HE21 GLN 11 -4.518 -0.759 4.949
91 HE22 GLN 11 HE22 GLN 11 -3.627 0.184 6.042
92 H ARG 12 H ARG 12 -3.860 -2.076 -0.150
93 HA ARG 12 HA ARG 12 -1.431 -3.485 0.168
94 HB2 ARG 12 HB2 ARG 12 -3.595 -3.524 -1.953
95 HB3 ARG 12 HB3 ARG 12 -2.316 -4.734 -1.883
96 HG2 ARG 12 HG2 ARG 12 -3.115 -5.674 0.076
97 HG3 ARG 12 HG3 ARG 12 -3.849 -4.167 0.623
98 HD2 ARG 12 HD2 ARG 12 -5.703 -5.529 0.001
99 HD3 ARG 12 HD3 ARG 12 -5.463 -4.467 -1.397
100 HE ARG 12 HE ARG 12 -4.353 -6.303 -2.555
101 HH11 ARG 12 HH11 ARG 12 -3.248 -7.719 -0.139
102 HH12 ARG 12 HH12 ARG 12 -4.244 -9.135 -0.064
103 HH21 ARG 12 HH21 ARG 12 -6.682 -7.849 -2.183
104 HH22 ARG 12 HH22 ARG 12 -6.195 -9.208 -1.227
105 H TRP 13 H TRP 13 -2.452 -1.335 -2.491
106 HA TRP 13 HA TRP 13 -0.315 -1.681 -4.300
107 HB2 TRP 13 HB2 TRP 13 -2.542 -0.062 -3.985
108 HB3 TRP 13 HB3 TRP 13 -1.218 1.095 -3.890
109 HD1 TRP 13 HD1 TRP 13 -3.265 0.903 -6.324
110 HE1 TRP 13 HE1 TRP 13 -2.346 0.525 -8.707
111 HE3 TRP 13 HE3 TRP 13 1.302 -1.077 -5.203
112 HZ2 TRP 13 HZ2 TRP 13 0.016 -0.483 -9.963
113 HZ3 TRP 13 HZ3 TRP 13 2.866 -1.736 -7.005
114 HH2 TRP 13 HH2 TRP 13 2.231 -1.440 -9.382
115 H GLU 14 H GLU 14 -0.585 0.925 -1.860
116 HA GLU 14 HA GLU 14 2.165 1.755 -2.096
117 HB2 GLU 14 HB2 GLU 14 0.040 2.155 0.033
118 HB3 GLU 14 HB3 GLU 14 1.548 3.065 -0.055
119 HG2 GLU 14 HG2 GLU 14 0.675 3.372 -2.606
120 HG3 GLU 14 HG3 GLU 14 -0.873 3.252 -1.767
121 H ASN 15 H ASN 15 0.501 -0.585 -0.006
122 HA ASN 15 HA ASN 15 2.410 -0.968 2.038
123 HB2 ASN 15 HB2 ASN 15 0.061 -2.097 1.342
124 HB3 ASN 15 HB3 ASN 15 1.149 -3.363 0.774
125 HD21 ASN 15 HD21 ASN 15 3.177 -3.335 2.714
126 HD22 ASN 15 HD22 ASN 15 2.518 -3.700 4.234
127 H TRP 16 H TRP 16 2.316 -2.403 -1.243
128 HA TRP 16 HA TRP 16 4.737 -3.963 -0.944
129 HB2 TRP 16 HB2 TRP 16 3.293 -4.631 -2.681
130 HB3 TRP 16 HB3 TRP 16 2.992 -2.971 -3.195
131 HD1 TRP 16 HD1 TRP 16 5.683 -5.705 -3.347
132 HE1 TRP 16 HE1 TRP 16 7.281 -5.178 -5.300
133 HE3 TRP 16 HE3 TRP 16 3.877 -1.141 -4.760
134 HZ2 TRP 16 HZ2 TRP 16 7.733 -3.097 -7.208
135 HZ3 TRP 16 HZ3 TRP 16 4.910 0.091 -6.646
136 HH2 TRP 16 HH2 TRP 16 6.834 -0.881 -7.872
137 H PHE 17 H PHE 17 4.035 -0.781 -2.431
138 HA PHE 17 HA PHE 17 6.654 -0.114 -3.292
139 HB2 PHE 17 HB2 PHE 17 4.511 1.065 -3.822
140 HB3 PHE 17 HB3 PHE 17 4.472 1.681 -2.170
141 HD1 PHE 17 HD1 PHE 17 6.682 1.551 -5.194
142 HD2 PHE 17 HD2 PHE 17 5.545 3.700 -1.653
143 HE1 PHE 17 HE1 PHE 17 8.161 3.427 -5.858
144 HE2 PHE 17 HE2 PHE 17 7.024 5.577 -2.318
145 HZ PHE 17 HZ PHE 17 8.333 5.440 -4.419
146 H TRP 18 H TRP 18 5.031 0.738 -0.202
147 HA TRP 18 HA TRP 18 7.320 1.960 1.018
148 HB2 TRP 18 HB2 TRP 18 4.866 0.573 2.145
149 HB3 TRP 18 HB3 TRP 18 5.976 1.542 3.113
150 HD1 TRP 18 HD1 TRP 18 2.788 2.093 2.134
151 HE1 TRP 18 HE1 TRP 18 2.283 4.456 1.241
152 HE3 TRP 18 HE3 TRP 18 7.527 3.664 1.031
153 HZ2 TRP 18 HZ2 TRP 18 3.694 6.710 0.200
154 HZ3 TRP 18 HZ3 TRP 18 7.914 5.920 0.093
155 HH2 TRP 18 HH2 TRP 18 6.006 7.446 -0.324
156 H ASN 19 H ASN 19 6.233 -1.414 0.848
157 HA ASN 19 HA ASN 19 7.985 -2.505 2.839
158 HB2 ASN 19 HB2 ASN 19 6.319 -3.435 0.569
159 HB3 ASN 19 HB3 ASN 19 7.625 -4.522 1.034
160 HD21 ASN 19 HD21 ASN 19 5.672 -5.931 1.733
161 HD22 ASN 19 HD22 ASN 19 5.057 -5.684 3.296
162 H VAL 20 H VAL 20 8.441 -1.982 -0.681
163 HA VAL 20 HA VAL 20 11.224 -3.005 -0.487
164 HB VAL 20 HB VAL 20 11.156 -2.737 -2.964
165 HG11 VAL 20 HG11 VAL 20 10.416 -4.849 -2.098
166 HG12 VAL 20 HG12 VAL 20 9.262 -4.379 -3.345
167 HG13 VAL 20 HG13 VAL 20 8.848 -4.183 -1.641
168 HG21 VAL 20 HG21 VAL 20 9.134 -0.883 -2.416
169 HG22 VAL 20 HG22 VAL 20 8.282 -2.251 -3.130
170 HG23 VAL 20 HG23 VAL 20 9.599 -1.476 -4.009
171 H THR 21 H THR 21 9.553 0.060 -0.503
172 HA THR 21 HA THR 21 11.966 1.559 -1.348
173 HB THR 21 HB THR 21 9.176 2.401 -0.494
174 HG1 THR 21 HG1 THR 21 8.912 1.534 -2.424
175 HG21 THR 21 HG21 THR 21 9.959 4.532 -1.785
176 HG22 THR 21 HG22 THR 21 11.583 3.941 -1.434
177 HG23 THR 21 HG23 THR 21 10.475 4.313 -0.112
178 H LEU 22 H LEU 22 9.796 1.483 1.494
179 HA LEU 22 HA LEU 22 11.752 2.933 3.143
180 HB2 LEU 22 HB2 LEU 22 9.072 1.625 3.703
181 HB3 LEU 22 HB3 LEU 22 9.965 2.584 4.881
182 HG LEU 22 HG LEU 22 9.168 3.647 2.160
183 HD11 LEU 22 HD11 LEU 22 7.346 4.827 3.374
184 HD12 LEU 22 HD12 LEU 22 7.753 3.920 4.830
185 HD13 LEU 22 HD13 LEU 22 7.138 3.077 3.409
186 HD21 LEU 22 HD21 LEU 22 10.279 4.834 4.709
187 HD22 LEU 22 HD22 LEU 22 9.463 5.832 3.505
188 HD23 LEU 22 HD23 LEU 22 10.931 4.952 3.075
189 H ARG 23 H ARG 23 11.071 -0.363 2.377
190 HA ARG 23 HA ARG 23 11.859 -2.409 3.243
191 HB2 ARG 23 HB2 ARG 23 13.996 -0.352 3.784
192 HB3 ARG 23 HB3 ARG 23 14.239 -2.028 4.275
193 HG2 ARG 23 HG2 ARG 23 14.531 -2.739 2.140
194 HG3 ARG 23 HG3 ARG 23 13.211 -1.738 1.532
195 HD2 ARG 23 HD2 ARG 23 14.618 -0.040 0.939
196 HD3 ARG 23 HD3 ARG 23 15.584 -0.207 2.420
197 HE ARG 23 HE ARG 23 15.907 -1.899 -0.025
198 HH11 ARG 23 HH11 ARG 23 18.081 -0.042 0.849
199 HH12 ARG 23 HH12 ARG 23 19.135 -1.094 1.733
200 HH21 ARG 23 HH21 ARG 23 16.758 -3.608 2.081
201 HH22 ARG 23 HH22 ARG 23 18.383 -3.122 2.433
202 HA PRO 24 HA PRO 24 10.565 -1.161 7.592
203 HB2 PRO 24 HB2 PRO 24 8.073 -2.289 7.571
204 HB3 PRO 24 HB3 PRO 24 8.380 -0.615 7.065
205 HG2 PRO 24 HG2 PRO 24 7.961 -3.047 5.406
206 HG3 PRO 24 HG3 PRO 24 7.413 -1.386 5.135
207 HD2 PRO 24 HD2 PRO 24 9.558 -2.505 3.864
208 HD3 PRO 24 HD3 PRO 24 9.375 -0.762 4.152
209 H GLU 25 H GLU 25 10.416 -2.685 9.367
210 HA GLU 25 HA GLU 25 11.399 -5.395 8.695
211 HB2 GLU 25 HB2 GLU 25 12.055 -3.581 10.591
212 HB3 GLU 25 HB3 GLU 25 10.867 -4.521 11.494
213 HG2 GLU 25 HG2 GLU 25 12.515 -6.007 11.903
214 HG3 GLU 25 HG3 GLU 25 12.422 -6.449 10.199
215 H ARG 26 H ARG 26 10.309 -7.323 9.362
216 HA ARG 26 HA ARG 26 7.639 -7.130 10.620
217 HB2 ARG 26 HB2 ARG 26 6.553 -8.217 8.671
218 HB3 ARG 26 HB3 ARG 26 7.252 -6.661 8.230
219 HG2 ARG 26 HG2 ARG 26 9.020 -7.639 7.046
220 HG3 ARG 26 HG3 ARG 26 8.880 -9.172 7.908
221 HD2 ARG 26 HD2 ARG 26 6.524 -8.296 6.280
222 HD3 ARG 26 HD3 ARG 26 7.945 -8.912 5.415
223 HE ARG 26 HE ARG 26 7.740 -11.007 6.665
224 HH11 ARG 26 HH11 ARG 26 4.995 -10.705 5.515
225 HH12 ARG 26 HH12 ARG 26 3.986 -10.953 6.900
226 HH21 ARG 26 HH21 ARG 26 6.556 -10.447 9.189
227 HH22 ARG 26 HH22 ARG 26 4.873 -10.806 8.989
Start of MODEL 8
1 HA ARG 1 HA ARG 1 -19.519 1.432 -5.828
2 HB2 ARG 1 HB2 ARG 1 -20.778 -0.625 -6.536
3 HB3 ARG 1 HB3 ARG 1 -19.956 0.176 -7.873
4 HG2 ARG 1 HG2 ARG 1 -18.447 -1.533 -8.153
5 HG3 ARG 1 HG3 ARG 1 -18.405 -1.919 -6.433
6 HD2 ARG 1 HD2 ARG 1 -21.027 -2.424 -7.701
7 HD3 ARG 1 HD3 ARG 1 -19.708 -3.444 -8.311
8 HE ARG 1 HE ARG 1 -20.673 -3.364 -5.511
9 HH11 ARG 1 HH11 ARG 1 -20.145 -5.804 -7.334
10 HH12 ARG 1 HH12 ARG 1 -18.728 -6.456 -6.584
11 HH21 ARG 1 HH21 ARG 1 -18.057 -3.587 -4.741
12 HH22 ARG 1 HH22 ARG 1 -17.543 -5.199 -5.109
13 H SER 2 H SER 2 -17.351 0.889 -4.053
14 HA SER 2 HA SER 2 -18.732 -0.646 -1.978
15 HB2 SER 2 HB2 SER 2 -16.582 -1.793 -3.680
16 HB3 SER 2 HB3 SER 2 -16.431 -2.093 -1.953
17 HG SER 2 HG SER 2 -18.930 -2.450 -3.185
18 H ALA 3 H ALA 3 -17.783 -0.272 0.091
19 HA ALA 3 HA ALA 3 -15.848 1.982 0.175
20 HB1 ALA 3 HB1 ALA 3 -17.944 2.136 1.422
21 HB2 ALA 3 HB2 ALA 3 -16.601 2.043 2.561
22 HB3 ALA 3 HB3 ALA 3 -17.594 0.619 2.250
23 H LEU 4 H LEU 4 -16.051 -1.453 0.989
24 HA LEU 4 HA LEU 4 -13.340 -1.296 2.262
25 HB2 LEU 4 HB2 LEU 4 -15.780 -3.011 2.561
26 HB3 LEU 4 HB3 LEU 4 -14.211 -3.725 2.935
27 HG LEU 4 HG LEU 4 -14.158 -1.186 4.139
28 HD11 LEU 4 HD11 LEU 4 -16.592 -1.028 3.876
29 HD12 LEU 4 HD12 LEU 4 -16.183 -1.252 5.576
30 HD13 LEU 4 HD13 LEU 4 -16.794 -2.610 4.631
31 HD21 LEU 4 HD21 LEU 4 -14.674 -3.962 5.252
32 HD22 LEU 4 HD22 LEU 4 -14.269 -2.564 6.246
33 HD23 LEU 4 HD23 LEU 4 -13.109 -3.170 5.064
34 H VAL 5 H VAL 5 -14.142 -1.523 -0.745
35 HA VAL 5 HA VAL 5 -12.701 -4.085 -1.345
36 HB VAL 5 HB VAL 5 -14.727 -2.404 -2.849
37 HG11 VAL 5 HG11 VAL 5 -13.086 -4.759 -3.835
38 HG12 VAL 5 HG12 VAL 5 -13.080 -3.122 -4.490
39 HG13 VAL 5 HG13 VAL 5 -14.515 -4.134 -4.658
40 HG21 VAL 5 HG21 VAL 5 -15.641 -3.953 -1.190
41 HG22 VAL 5 HG22 VAL 5 -14.680 -5.273 -1.857
42 HG23 VAL 5 HG23 VAL 5 -15.984 -4.563 -2.808
43 H ASN 6 H ASN 6 -12.857 -0.605 -2.088
44 HA ASN 6 HA ASN 6 -10.373 -0.813 -3.719
45 HB2 ASN 6 HB2 ASN 6 -12.675 0.545 -4.107
46 HB3 ASN 6 HB3 ASN 6 -11.773 1.770 -3.213
47 HD21 ASN 6 HD21 ASN 6 -11.784 -0.161 -6.200
48 HD22 ASN 6 HD22 ASN 6 -10.600 0.757 -6.996
49 H SER 7 H SER 7 -11.643 0.668 -0.742
50 HA SER 7 HA SER 7 -9.449 2.316 -0.033
51 HB2 SER 7 HB2 SER 7 -11.416 0.697 1.615
52 HB3 SER 7 HB3 SER 7 -10.375 1.948 2.287
53 HG SER 7 HG SER 7 -11.758 3.351 1.573
54 H TYR 8 H TYR 8 -10.069 -1.085 0.998
55 HA TYR 8 HA TYR 8 -7.537 -1.383 2.338
56 HB2 TYR 8 HB2 TYR 8 -8.390 -3.453 2.851
57 HB3 TYR 8 HB3 TYR 8 -9.881 -2.734 2.260
58 HD1 TYR 8 HD1 TYR 8 -10.720 -3.264 -0.015
59 HD2 TYR 8 HD2 TYR 8 -7.224 -5.165 1.602
60 HE1 TYR 8 HE1 TYR 8 -10.876 -5.031 -1.748
61 HE2 TYR 8 HE2 TYR 8 -7.379 -6.928 -0.133
62 HH TYR 8 HH TYR 8 -9.962 -7.649 -1.792
63 H LEU 9 H LEU 9 -8.518 -1.735 -1.022
64 HA LEU 9 HA LEU 9 -6.207 -3.232 -1.934
65 HB2 LEU 9 HB2 LEU 9 -8.656 -2.323 -2.927
66 HB3 LEU 9 HB3 LEU 9 -7.469 -1.406 -3.849
67 HG LEU 9 HG LEU 9 -6.387 -3.415 -4.614
68 HD11 LEU 9 HD11 LEU 9 -7.717 -4.558 -2.278
69 HD12 LEU 9 HD12 LEU 9 -6.309 -5.147 -3.161
70 HD13 LEU 9 HD13 LEU 9 -7.933 -5.557 -3.715
71 HD21 LEU 9 HD21 LEU 9 -8.314 -4.599 -5.717
72 HD22 LEU 9 HD22 LEU 9 -8.377 -2.844 -5.880
73 HD23 LEU 9 HD23 LEU 9 -9.409 -3.659 -4.702
74 H TRP 10 H TRP 10 -7.027 0.242 -1.762
75 HA TRP 10 HA TRP 10 -4.700 1.278 -3.059
76 HB2 TRP 10 HB2 TRP 10 -6.533 2.735 -2.668
77 HB3 TRP 10 HB3 TRP 10 -6.644 2.277 -0.969
78 HD1 TRP 10 HD1 TRP 10 -4.173 4.082 -3.336
79 HE1 TRP 10 HE1 TRP 10 -2.933 5.889 -1.978
80 HE3 TRP 10 HE3 TRP 10 -6.119 3.188 1.297
81 HZ2 TRP 10 HZ2 TRP 10 -2.788 6.828 0.719
82 HZ3 TRP 10 HZ3 TRP 10 -5.413 4.552 3.242
83 HH2 TRP 10 HH2 TRP 10 -3.750 6.369 2.958
84 H GLN 11 H GLN 11 -5.344 0.642 0.414
85 HA GLN 11 HA GLN 11 -2.806 1.466 1.424
86 HB2 GLN 11 HB2 GLN 11 -5.166 -0.060 2.271
87 HB3 GLN 11 HB3 GLN 11 -3.682 -0.630 3.036
88 HG2 GLN 11 HG2 GLN 11 -3.255 1.433 4.053
89 HG3 GLN 11 HG3 GLN 11 -4.257 2.319 2.903
90 HE21 GLN 11 HE21 GLN 11 -4.421 0.114 5.717
91 HE22 GLN 11 HE22 GLN 11 -6.021 0.503 6.126
92 H ARG 12 H ARG 12 -3.900 -1.639 0.072
93 HA ARG 12 HA ARG 12 -1.586 -3.205 0.710
94 HB2 ARG 12 HB2 ARG 12 -3.845 -3.267 -1.260
95 HB3 ARG 12 HB3 ARG 12 -2.502 -4.384 -1.500
96 HG2 ARG 12 HG2 ARG 12 -2.794 -5.289 0.746
97 HG3 ARG 12 HG3 ARG 12 -4.053 -4.104 1.091
98 HD2 ARG 12 HD2 ARG 12 -5.168 -6.174 0.500
99 HD3 ARG 12 HD3 ARG 12 -5.349 -5.081 -0.886
100 HE ARG 12 HE ARG 12 -3.672 -6.352 -2.071
101 HH11 ARG 12 HH11 ARG 12 -5.345 -8.487 -0.537
102 HH12 ARG 12 HH12 ARG 12 -4.076 -9.542 -0.009
103 HH21 ARG 12 HH21 ARG 12 -1.543 -7.253 -0.665
104 HH22 ARG 12 HH22 ARG 12 -1.916 -8.840 -0.081
105 H TRP 13 H TRP 13 -2.357 -1.113 -2.081
106 HA TRP 13 HA TRP 13 -0.058 -1.760 -3.668
107 HB2 TRP 13 HB2 TRP 13 -1.302 -0.463 -5.044
108 HB3 TRP 13 HB3 TRP 13 -2.331 -0.008 -3.694
109 HD1 TRP 13 HD1 TRP 13 -2.393 2.472 -3.210
110 HE1 TRP 13 HE1 TRP 13 -0.858 4.494 -3.660
111 HE3 TRP 13 HE3 TRP 13 1.571 0.105 -5.385
112 HZ2 TRP 13 HZ2 TRP 13 1.713 5.034 -4.793
113 HZ3 TRP 13 HZ3 TRP 13 3.549 1.393 -6.141
114 HH2 TRP 13 HH2 TRP 13 3.625 3.853 -5.847
115 H GLU 14 H GLU 14 -0.615 0.863 -1.281
116 HA GLU 14 HA GLU 14 2.069 1.942 -1.489
117 HB2 GLU 14 HB2 GLU 14 -0.288 2.174 0.365
118 HB3 GLU 14 HB3 GLU 14 1.253 2.896 0.832
119 HG2 GLU 14 HG2 GLU 14 1.087 3.745 -1.744
120 HG3 GLU 14 HG3 GLU 14 -0.624 3.681 -1.325
121 H ASN 15 H ASN 15 0.509 -0.474 0.612
122 HA ASN 15 HA ASN 15 2.583 -0.846 2.528
123 HB2 ASN 15 HB2 ASN 15 0.160 -1.823 2.286
124 HB3 ASN 15 HB3 ASN 15 0.945 -3.100 1.357
125 HD21 ASN 15 HD21 ASN 15 3.121 -3.894 2.619
126 HD22 ASN 15 HD22 ASN 15 2.876 -4.212 4.267
127 H TRP 16 H TRP 16 2.029 -2.498 -0.611
128 HA TRP 16 HA TRP 16 4.492 -4.027 -0.533
129 HB2 TRP 16 HB2 TRP 16 2.824 -4.888 -1.946
130 HB3 TRP 16 HB3 TRP 16 2.381 -3.293 -2.554
131 HD1 TRP 16 HD1 TRP 16 5.155 -5.937 -2.870
132 HE1 TRP 16 HE1 TRP 16 6.373 -5.583 -5.112
133 HE3 TRP 16 HE3 TRP 16 2.871 -1.645 -4.442
134 HZ2 TRP 16 HZ2 TRP 16 6.380 -3.726 -7.284
135 HZ3 TRP 16 HZ3 TRP 16 3.506 -0.607 -6.601
136 HH2 TRP 16 HH2 TRP 16 5.255 -1.640 -8.023
137 H PHE 17 H PHE 17 3.516 -0.939 -2.038
138 HA PHE 17 HA PHE 17 5.855 -0.341 -3.509
139 HB2 PHE 17 HB2 PHE 17 3.844 0.972 -3.703
140 HB3 PHE 17 HB3 PHE 17 3.846 1.343 -1.981
141 HD1 PHE 17 HD1 PHE 17 5.905 1.783 -5.081
142 HD2 PHE 17 HD2 PHE 17 4.856 3.310 -1.206
143 HE1 PHE 17 HE1 PHE 17 7.253 3.817 -5.517
144 HE2 PHE 17 HE2 PHE 17 6.203 5.344 -1.643
145 HZ PHE 17 HZ PHE 17 7.401 5.600 -3.798
146 H TRP 18 H TRP 18 5.066 0.810 -0.194
147 HA TRP 18 HA TRP 18 7.668 1.837 0.397
148 HB2 TRP 18 HB2 TRP 18 5.336 0.838 2.047
149 HB3 TRP 18 HB3 TRP 18 6.778 1.525 2.796
150 HD1 TRP 18 HD1 TRP 18 3.524 2.608 1.945
151 HE1 TRP 18 HE1 TRP 18 3.410 5.116 1.358
152 HE3 TRP 18 HE3 TRP 18 8.482 3.556 1.161
153 HZ2 TRP 18 HZ2 TRP 18 5.188 7.242 0.654
154 HZ3 TRP 18 HZ3 TRP 18 9.242 5.829 0.534
155 HH2 TRP 18 HH2 TRP 18 7.603 7.671 0.279
156 H ASN 19 H ASN 19 6.285 -1.423 0.724
157 HA ASN 19 HA ASN 19 8.203 -2.663 2.387
158 HB2 ASN 19 HB2 ASN 19 6.030 -3.552 1.361
159 HB3 ASN 19 HB3 ASN 19 6.965 -3.875 -0.098
160 HD21 ASN 19 HD21 ASN 19 8.817 -5.432 0.124
161 HD22 ASN 19 HD22 ASN 19 8.776 -6.598 1.357
162 H VAL 20 H VAL 20 8.373 -1.941 -1.103
163 HA VAL 20 HA VAL 20 11.145 -3.057 -1.194
164 HB VAL 20 HB VAL 20 10.789 -2.888 -3.667
165 HG11 VAL 20 HG11 VAL 20 8.512 -4.285 -2.233
166 HG12 VAL 20 HG12 VAL 20 10.150 -4.926 -2.366
167 HG13 VAL 20 HG13 VAL 20 9.172 -4.696 -3.816
168 HG21 VAL 20 HG21 VAL 20 7.943 -2.109 -2.969
169 HG22 VAL 20 HG22 VAL 20 8.659 -2.232 -4.574
170 HG23 VAL 20 HG23 VAL 20 9.160 -0.941 -3.484
171 H THR 21 H THR 21 9.337 -0.035 -1.463
172 HA THR 21 HA THR 21 11.475 1.532 -2.640
173 HB THR 21 HB THR 21 9.015 2.281 -1.029
174 HG1 THR 21 HG1 THR 21 9.520 2.049 -3.811
175 HG21 THR 21 HG21 THR 21 10.031 4.317 -1.020
176 HG22 THR 21 HG22 THR 21 9.495 4.380 -2.698
177 HG23 THR 21 HG23 THR 21 11.143 3.880 -2.316
178 H LEU 22 H LEU 22 10.394 0.949 0.701
179 HA LEU 22 HA LEU 22 12.086 2.852 1.998
180 HB2 LEU 22 HB2 LEU 22 10.787 0.249 2.802
181 HB3 LEU 22 HB3 LEU 22 11.746 1.180 3.949
182 HG LEU 22 HG LEU 22 9.389 2.291 2.394
183 HD11 LEU 22 HD11 LEU 22 8.177 2.173 4.533
184 HD12 LEU 22 HD12 LEU 22 9.579 1.424 5.297
185 HD13 LEU 22 HD13 LEU 22 8.699 0.564 4.032
186 HD21 LEU 22 HD21 LEU 22 11.122 3.376 4.636
187 HD22 LEU 22 HD22 LEU 22 9.595 4.110 4.145
188 HD23 LEU 22 HD23 LEU 22 10.943 4.038 3.011
189 H ARG 23 H ARG 23 12.709 -0.478 0.950
190 HA ARG 23 HA ARG 23 15.569 -0.124 1.794
191 HB2 ARG 23 HB2 ARG 23 13.583 -2.327 2.044
192 HB3 ARG 23 HB3 ARG 23 15.232 -2.813 1.650
193 HG2 ARG 23 HG2 ARG 23 15.578 -0.904 3.647
194 HG3 ARG 23 HG3 ARG 23 14.152 -1.799 4.172
195 HD2 ARG 23 HD2 ARG 23 15.553 -3.929 3.597
196 HD3 ARG 23 HD3 ARG 23 16.945 -2.831 3.682
197 HE ARG 23 HE ARG 23 14.999 -3.210 5.934
198 HH11 ARG 23 HH11 ARG 23 18.025 -4.173 5.362
199 HH12 ARG 23 HH12 ARG 23 18.818 -3.231 6.580
200 HH21 ARG 23 HH21 ARG 23 16.042 -1.238 7.218
201 HH22 ARG 23 HH22 ARG 23 17.691 -1.564 7.635
202 HA PRO 24 HA PRO 24 15.451 -0.663 -2.797
203 HB2 PRO 24 HB2 PRO 24 17.144 1.406 -3.378
204 HB3 PRO 24 HB3 PRO 24 15.395 1.620 -3.176
205 HG2 PRO 24 HG2 PRO 24 17.604 2.252 -1.305
206 HG3 PRO 24 HG3 PRO 24 16.064 3.083 -1.560
207 HD2 PRO 24 HD2 PRO 24 16.616 1.374 0.543
208 HD3 PRO 24 HD3 PRO 24 14.990 1.805 -0.024
209 H GLU 25 H GLU 25 16.730 -2.587 -1.733
210 HA GLU 25 HA GLU 25 19.675 -2.240 -2.200
211 HB2 GLU 25 HB2 GLU 25 19.985 -3.872 -0.463
212 HB3 GLU 25 HB3 GLU 25 18.762 -2.752 0.135
213 HG2 GLU 25 HG2 GLU 25 17.080 -4.456 -0.972
214 HG3 GLU 25 HG3 GLU 25 18.432 -5.579 -0.828
215 H ARG 26 H ARG 26 20.369 -4.936 -2.332
216 HA ARG 26 HA ARG 26 18.929 -5.866 -4.797
217 HB2 ARG 26 HB2 ARG 26 21.509 -5.017 -4.545
218 HB3 ARG 26 HB3 ARG 26 21.709 -6.744 -4.247
219 HG2 ARG 26 HG2 ARG 26 21.912 -6.593 -6.583
220 HG3 ARG 26 HG3 ARG 26 20.221 -7.046 -6.365
221 HD2 ARG 26 HD2 ARG 26 19.666 -4.551 -6.421
222 HD3 ARG 26 HD3 ARG 26 21.332 -4.291 -6.974
223 HE ARG 26 HE ARG 26 20.833 -5.714 -8.930
224 HH11 ARG 26 HH11 ARG 26 18.563 -7.321 -7.992
225 HH12 ARG 26 HH12 ARG 26 17.195 -6.541 -8.711
226 HH21 ARG 26 HH21 ARG 26 18.911 -3.598 -9.406
227 HH22 ARG 26 HH22 ARG 26 17.393 -4.423 -9.511
Start of MODEL 9
1 HA ARG 1 HA ARG 1 -20.544 2.461 -5.034
2 HB2 ARG 1 HB2 ARG 1 -22.435 1.045 -6.067
3 HB3 ARG 1 HB3 ARG 1 -21.972 -0.207 -4.915
4 HG2 ARG 1 HG2 ARG 1 -22.677 1.022 -3.079
5 HG3 ARG 1 HG3 ARG 1 -22.424 2.570 -3.887
6 HD2 ARG 1 HD2 ARG 1 -24.751 2.457 -3.957
7 HD3 ARG 1 HD3 ARG 1 -24.369 1.633 -5.481
8 HE ARG 1 HE ARG 1 -25.102 0.269 -2.930
9 HH11 ARG 1 HH11 ARG 1 -26.732 0.026 -5.454
10 HH12 ARG 1 HH12 ARG 1 -26.214 -1.509 -6.068
11 HH21 ARG 1 HH21 ARG 1 -23.370 -1.640 -4.070
12 HH22 ARG 1 HH22 ARG 1 -24.303 -2.456 -5.281
13 H SER 2 H SER 2 -18.208 2.024 -4.265
14 HA SER 2 HA SER 2 -18.312 0.200 -1.904
15 HB2 SER 2 HB2 SER 2 -16.574 0.066 -4.314
16 HB3 SER 2 HB3 SER 2 -15.789 -0.228 -2.767
17 HG SER 2 HG SER 2 -16.625 -2.156 -3.601
18 H ALA 3 H ALA 3 -17.510 1.231 -0.130
19 HA ALA 3 HA ALA 3 -15.964 3.765 -0.533
20 HB1 ALA 3 HB1 ALA 3 -18.108 3.919 0.647
21 HB2 ALA 3 HB2 ALA 3 -16.791 4.243 1.773
22 HB3 ALA 3 HB3 ALA 3 -17.594 2.673 1.785
23 H LEU 4 H LEU 4 -15.935 0.654 1.198
24 HA LEU 4 HA LEU 4 -13.231 1.300 2.293
25 HB2 LEU 4 HB2 LEU 4 -13.722 -0.468 3.898
26 HB3 LEU 4 HB3 LEU 4 -15.100 0.628 3.817
27 HG LEU 4 HG LEU 4 -15.421 -1.419 1.820
28 HD11 LEU 4 HD11 LEU 4 -13.938 -2.774 3.250
29 HD12 LEU 4 HD12 LEU 4 -15.593 -3.383 3.307
30 HD13 LEU 4 HD13 LEU 4 -14.959 -2.424 4.645
31 HD21 LEU 4 HD21 LEU 4 -17.312 -0.249 2.686
32 HD22 LEU 4 HD22 LEU 4 -16.860 -0.603 4.353
33 HD23 LEU 4 HD23 LEU 4 -17.457 -1.892 3.309
34 H VAL 5 H VAL 5 -14.752 -0.566 -0.164
35 HA VAL 5 HA VAL 5 -12.956 -2.824 -0.255
36 HB VAL 5 HB VAL 5 -14.596 -1.472 -2.429
37 HG11 VAL 5 HG11 VAL 5 -13.421 -4.259 -2.202
38 HG12 VAL 5 HG12 VAL 5 -12.989 -3.026 -3.387
39 HG13 VAL 5 HG13 VAL 5 -14.586 -3.771 -3.432
40 HG21 VAL 5 HG21 VAL 5 -16.158 -2.047 -0.767
41 HG22 VAL 5 HG22 VAL 5 -15.244 -3.469 -0.266
42 HG23 VAL 5 HG23 VAL 5 -16.142 -3.487 -1.784
43 H ASN 6 H ASN 6 -13.034 0.234 -2.148
44 HA ASN 6 HA ASN 6 -10.586 -0.248 -3.586
45 HB2 ASN 6 HB2 ASN 6 -12.555 1.445 -3.924
46 HB3 ASN 6 HB3 ASN 6 -11.643 2.475 -2.820
47 HD21 ASN 6 HD21 ASN 6 -11.701 1.131 -6.075
48 HD22 ASN 6 HD22 ASN 6 -10.335 1.965 -6.643
49 H SER 7 H SER 7 -11.277 1.367 -0.473
50 HA SER 7 HA SER 7 -8.666 2.440 0.013
51 HB2 SER 7 HB2 SER 7 -10.854 1.428 1.859
52 HB3 SER 7 HB3 SER 7 -9.474 2.381 2.396
53 HG SER 7 HG SER 7 -11.737 3.277 1.452
54 H TYR 8 H TYR 8 -10.125 -0.711 0.883
55 HA TYR 8 HA TYR 8 -7.895 -1.807 2.300
56 HB2 TYR 8 HB2 TYR 8 -9.997 -2.885 2.474
57 HB3 TYR 8 HB3 TYR 8 -10.247 -2.874 0.732
58 HD1 TYR 8 HD1 TYR 8 -8.059 -4.334 3.393
59 HD2 TYR 8 HD2 TYR 8 -9.666 -4.748 -0.568
60 HE1 TYR 8 HE2 TYR 8 -7.104 -6.618 3.244
61 HE2 TYR 8 HE1 TYR 8 -8.713 -7.031 -0.717
62 HH TYR 8 HH TYR 8 -7.970 -8.858 1.522
63 H LEU 9 H LEU 9 -8.767 -1.845 -1.155
64 HA LEU 9 HA LEU 9 -6.525 -3.469 -2.017
65 HB2 LEU 9 HB2 LEU 9 -8.899 -2.313 -3.054
66 HB3 LEU 9 HB3 LEU 9 -7.583 -1.667 -4.029
67 HG LEU 9 HG LEU 9 -8.510 -3.818 -4.918
68 HD11 LEU 9 HD11 LEU 9 -6.276 -4.956 -5.133
69 HD12 LEU 9 HD12 LEU 9 -5.642 -3.820 -3.942
70 HD13 LEU 9 HD13 LEU 9 -6.235 -3.230 -5.494
71 HD21 LEU 9 HD21 LEU 9 -8.864 -4.688 -2.487
72 HD22 LEU 9 HD22 LEU 9 -7.173 -5.181 -2.584
73 HD23 LEU 9 HD23 LEU 9 -8.349 -5.839 -3.721
74 H TRP 10 H TRP 10 -7.133 0.039 -1.817
75 HA TRP 10 HA TRP 10 -4.725 0.911 -3.114
76 HB2 TRP 10 HB2 TRP 10 -6.442 2.502 -2.868
77 HB3 TRP 10 HB3 TRP 10 -6.739 2.062 -1.188
78 HD1 TRP 10 HD1 TRP 10 -4.062 3.818 -3.345
79 HE1 TRP 10 HE1 TRP 10 -2.817 5.521 -1.859
80 HE3 TRP 10 HE3 TRP 10 -6.244 2.812 1.158
81 HZ2 TRP 10 HZ2 TRP 10 -2.761 6.344 0.880
82 HZ3 TRP 10 HZ3 TRP 10 -5.578 4.069 3.187
83 HH2 TRP 10 HH2 TRP 10 -3.841 5.831 3.054
84 H GLN 11 H GLN 11 -5.492 0.445 0.370
85 HA GLN 11 HA GLN 11 -3.014 1.251 1.471
86 HB2 GLN 11 HB2 GLN 11 -5.386 -0.216 2.236
87 HB3 GLN 11 HB3 GLN 11 -3.964 -0.987 2.935
88 HG2 GLN 11 HG2 GLN 11 -4.214 1.999 3.081
89 HG3 GLN 11 HG3 GLN 11 -5.144 1.007 4.203
90 HE21 GLN 11 HE21 GLN 11 -2.010 2.325 3.583
91 HE22 GLN 11 HE22 GLN 11 -1.181 1.498 4.813
92 H ARG 12 H ARG 12 -3.957 -1.926 0.141
93 HA ARG 12 HA ARG 12 -1.521 -3.309 0.819
94 HB2 ARG 12 HB2 ARG 12 -3.888 -3.672 -0.968
95 HB3 ARG 12 HB3 ARG 12 -2.471 -4.667 -1.305
96 HG2 ARG 12 HG2 ARG 12 -2.521 -5.678 0.830
97 HG3 ARG 12 HG3 ARG 12 -3.568 -4.423 1.495
98 HD2 ARG 12 HD2 ARG 12 -5.454 -5.482 0.786
99 HD3 ARG 12 HD3 ARG 12 -4.757 -5.822 -0.811
100 HE ARG 12 HE ARG 12 -4.103 -7.438 1.632
101 HH11 ARG 12 HH11 ARG 12 -2.270 -7.812 -0.671
102 HH12 ARG 12 HH12 ARG 12 -3.001 -9.126 -1.532
103 HH21 ARG 12 HH21 ARG 12 -6.078 -8.792 0.060
104 HH22 ARG 12 HH22 ARG 12 -5.169 -9.685 -1.115
105 H TRP 13 H TRP 13 -2.556 -1.541 -2.124
106 HA TRP 13 HA TRP 13 -0.284 -2.138 -3.745
107 HB2 TRP 13 HB2 TRP 13 -1.602 -0.955 -5.154
108 HB3 TRP 13 HB3 TRP 13 -2.644 -0.538 -3.802
109 HD1 TRP 13 HD1 TRP 13 -2.868 1.941 -3.337
110 HE1 TRP 13 HE1 TRP 13 -1.523 4.065 -3.905
111 HE3 TRP 13 HE3 TRP 13 1.169 -0.164 -5.648
112 HZ2 TRP 13 HZ2 TRP 13 0.939 4.776 -5.174
113 HZ3 TRP 13 HZ3 TRP 13 2.995 1.259 -6.531
114 HH2 TRP 13 HH2 TRP 13 2.887 3.725 -6.296
115 H GLU 14 H GLU 14 -0.858 0.600 -1.502
116 HA GLU 14 HA GLU 14 1.764 1.778 -1.888
117 HB2 GLU 14 HB2 GLU 14 -0.614 2.087 -0.124
118 HB3 GLU 14 HB3 GLU 14 0.908 2.721 0.505
119 HG2 GLU 14 HG2 GLU 14 1.055 3.662 -2.022
120 HG3 GLU 14 HG3 GLU 14 -0.698 3.626 -1.827
121 H ASN 15 H ASN 15 0.387 -0.515 0.469
122 HA ASN 15 HA ASN 15 2.496 -0.653 2.347
123 HB2 ASN 15 HB2 ASN 15 0.571 -1.855 2.894
124 HB3 ASN 15 HB3 ASN 15 0.396 -2.508 1.269
125 HD21 ASN 15 HD21 ASN 15 3.185 -2.627 3.583
126 HD22 ASN 15 HD22 ASN 15 3.308 -4.319 3.556
127 H TRP 16 H TRP 16 2.102 -2.489 -0.715
128 HA TRP 16 HA TRP 16 4.577 -3.943 -0.532
129 HB2 TRP 16 HB2 TRP 16 3.007 -4.766 -2.079
130 HB3 TRP 16 HB3 TRP 16 2.629 -3.157 -2.696
131 HD1 TRP 16 HD1 TRP 16 5.439 -5.792 -2.792
132 HE1 TRP 16 HE1 TRP 16 6.822 -5.430 -4.937
133 HE3 TRP 16 HE3 TRP 16 3.230 -1.538 -4.558
134 HZ2 TRP 16 HZ2 TRP 16 6.972 -3.580 -7.113
135 HZ3 TRP 16 HZ3 TRP 16 4.015 -0.497 -6.665
136 HH2 TRP 16 HH2 TRP 16 5.881 -1.511 -7.944
137 H PHE 17 H PHE 17 3.707 -0.878 -2.173
138 HA PHE 17 HA PHE 17 6.165 -0.239 -3.388
139 HB2 PHE 17 HB2 PHE 17 4.124 1.039 -3.721
140 HB3 PHE 17 HB3 PHE 17 4.067 1.476 -2.014
141 HD1 PHE 17 HD1 PHE 17 6.122 1.839 -5.112
142 HD2 PHE 17 HD2 PHE 17 5.210 3.385 -1.207
143 HE1 PHE 17 HE1 PHE 17 7.530 3.828 -5.568
144 HE2 PHE 17 HE2 PHE 17 6.618 5.374 -1.666
145 HZ PHE 17 HZ PHE 17 7.777 5.596 -3.847
146 H TRP 18 H TRP 18 5.081 0.517 -0.058
147 HA TRP 18 HA TRP 18 7.485 1.821 0.800
148 HB2 TRP 18 HB2 TRP 18 5.222 0.349 2.170
149 HB3 TRP 18 HB3 TRP 18 6.519 1.112 3.090
150 HD1 TRP 18 HD1 TRP 18 3.203 1.888 2.151
151 HE1 TRP 18 HE1 TRP 18 2.804 4.417 1.838
152 HE3 TRP 18 HE3 TRP 18 8.035 3.509 1.801
153 HZ2 TRP 18 HZ2 TRP 18 4.333 6.808 1.485
154 HZ3 TRP 18 HZ3 TRP 18 8.535 5.913 1.476
155 HH2 TRP 18 HH2 TRP 18 6.691 7.564 1.318
156 H ASN 19 H ASN 19 6.488 -1.607 0.842
157 HA ASN 19 HA ASN 19 8.552 -2.712 2.424
158 HB2 ASN 19 HB2 ASN 19 6.433 -3.674 1.136
159 HB3 ASN 19 HB3 ASN 19 7.641 -4.075 -0.086
160 HD21 ASN 19 HD21 ASN 19 7.252 -4.334 3.504
161 HD22 ASN 19 HD22 ASN 19 7.971 -5.867 3.610
162 H VAL 20 H VAL 20 8.640 -1.727 -1.007
163 HA VAL 20 HA VAL 20 11.518 -2.551 -1.124
164 HB VAL 20 HB VAL 20 11.137 -2.328 -3.606
165 HG11 VAL 20 HG11 VAL 20 10.064 -4.422 -3.790
166 HG12 VAL 20 HG12 VAL 20 9.040 -4.119 -2.388
167 HG13 VAL 20 HG13 VAL 20 10.758 -4.447 -2.169
168 HG21 VAL 20 HG21 VAL 20 8.193 -2.171 -2.963
169 HG22 VAL 20 HG22 VAL 20 9.006 -1.864 -4.497
170 HG23 VAL 20 HG23 VAL 20 9.141 -0.700 -3.180
171 H THR 21 H THR 21 9.705 0.236 -0.556
172 HA THR 21 HA THR 21 11.770 1.995 -1.829
173 HB THR 21 HB THR 21 8.928 2.582 -0.940
174 HG1 THR 21 HG1 THR 21 8.605 1.501 -2.731
175 HG21 THR 21 HG21 THR 21 9.914 4.676 -0.920
176 HG22 THR 21 HG22 THR 21 9.476 4.561 -2.625
177 HG23 THR 21 HG23 THR 21 11.131 4.229 -2.115
178 H LEU 22 H LEU 22 10.481 0.945 1.215
179 HA LEU 22 HA LEU 22 10.971 3.201 2.876
180 HB2 LEU 22 HB2 LEU 22 10.865 0.221 3.210
181 HB3 LEU 22 HB3 LEU 22 11.408 1.204 4.569
182 HG LEU 22 HG LEU 22 8.836 1.768 3.078
183 HD11 LEU 22 HD11 LEU 22 9.273 0.116 5.586
184 HD12 LEU 22 HD12 LEU 22 8.681 -0.480 4.036
185 HD13 LEU 22 HD13 LEU 22 7.698 0.636 4.982
186 HD21 LEU 22 HD21 LEU 22 9.440 3.675 4.313
187 HD22 LEU 22 HD22 LEU 22 10.146 2.723 5.619
188 HD23 LEU 22 HD23 LEU 22 8.393 2.807 5.436
189 H ARG 23 H ARG 23 13.164 0.707 1.664
190 HA ARG 23 HA ARG 23 15.516 0.550 1.689
191 HB2 ARG 23 HB2 ARG 23 14.924 2.946 0.811
192 HB3 ARG 23 HB3 ARG 23 15.524 3.484 2.379
193 HG2 ARG 23 HG2 ARG 23 17.438 1.641 1.479
194 HG3 ARG 23 HG3 ARG 23 17.022 2.591 0.052
195 HD2 ARG 23 HD2 ARG 23 17.547 3.994 2.670
196 HD3 ARG 23 HD3 ARG 23 18.903 3.493 1.641
197 HE ARG 23 HE ARG 23 17.940 4.859 -0.179
198 HH11 ARG 23 HH11 ARG 23 18.217 6.539 2.448
199 HH12 ARG 23 HH12 ARG 23 16.763 7.475 2.354
200 HH21 ARG 23 HH21 ARG 23 15.324 5.471 -0.096
201 HH22 ARG 23 HH22 ARG 23 15.118 6.868 0.905
202 HA PRO 24 HA PRO 24 15.465 0.564 6.337
203 HB2 PRO 24 HB2 PRO 24 16.013 -2.103 6.625
204 HB3 PRO 24 HB3 PRO 24 14.365 -1.467 6.454
205 HG2 PRO 24 HG2 PRO 24 16.115 -2.760 4.426
206 HG3 PRO 24 HG3 PRO 24 14.369 -2.909 4.671
207 HD2 PRO 24 HD2 PRO 24 15.499 -1.363 2.723
208 HD3 PRO 24 HD3 PRO 24 13.906 -1.041 3.442
209 H GLU 25 H GLU 25 17.336 -0.232 7.787
210 HA GLU 25 HA GLU 25 19.891 0.516 6.572
211 HB2 GLU 25 HB2 GLU 25 18.735 -0.040 9.252
212 HB3 GLU 25 HB3 GLU 25 20.465 -0.338 9.094
213 HG2 GLU 25 HG2 GLU 25 20.195 1.958 9.781
214 HG3 GLU 25 HG3 GLU 25 20.683 1.971 8.087
215 H ARG 26 H ARG 26 18.426 -2.489 7.811
216 HA ARG 26 HA ARG 26 19.037 -4.745 7.516
217 HB2 ARG 26 HB2 ARG 26 19.399 -3.412 5.146
218 HB3 ARG 26 HB3 ARG 26 21.000 -4.107 5.397
219 HG2 ARG 26 HG2 ARG 26 20.165 -6.316 5.440
220 HG3 ARG 26 HG3 ARG 26 18.508 -5.777 5.718
221 HD2 ARG 26 HD2 ARG 26 18.642 -4.647 3.414
222 HD3 ARG 26 HD3 ARG 26 20.116 -5.602 3.157
223 HE ARG 26 HE ARG 26 18.791 -7.632 3.351
224 HH11 ARG 26 HH11 ARG 26 17.156 -6.117 1.362
225 HH12 ARG 26 HH12 ARG 26 15.563 -6.223 2.033
226 HH21 ARG 26 HH21 ARG 26 16.674 -7.164 5.190
227 HH22 ARG 26 HH22 ARG 26 15.288 -6.820 4.210
Start of MODEL 10
1 HA ARG 1 HA ARG 1 -20.590 -1.430 -4.866
2 HB2 ARG 1 HB2 ARG 1 -19.634 1.423 -4.997
3 HB3 ARG 1 HB3 ARG 1 -18.457 0.110 -4.995
4 HG2 ARG 1 HG2 ARG 1 -20.070 -0.884 -6.861
5 HG3 ARG 1 HG3 ARG 1 -20.507 0.813 -7.059
6 HD2 ARG 1 HD2 ARG 1 -17.963 1.275 -7.164
7 HD3 ARG 1 HD3 ARG 1 -17.794 -0.473 -7.423
8 HE ARG 1 HE ARG 1 -19.411 -0.178 -9.361
9 HH11 ARG 1 HH11 ARG 1 -20.227 2.622 -8.968
10 HH12 ARG 1 HH12 ARG 1 -19.169 3.496 -10.025
11 HH21 ARG 1 HH21 ARG 1 -16.907 0.876 -10.350
12 HH22 ARG 1 HH22 ARG 1 -17.281 2.502 -10.811
13 H SER 2 H SER 2 -18.498 -1.967 -3.615
14 HA SER 2 HA SER 2 -19.046 -1.953 -0.759
15 HB2 SER 2 HB2 SER 2 -17.337 -3.268 -2.671
16 HB3 SER 2 HB3 SER 2 -16.363 -2.719 -1.313
17 HG SER 2 HG SER 2 -18.414 -4.594 -1.422
18 H ALA 3 H ALA 3 -17.887 -0.839 0.881
19 HA ALA 3 HA ALA 3 -16.397 1.586 -0.051
20 HB1 ALA 3 HB1 ALA 3 -18.535 1.711 1.325
21 HB2 ALA 3 HB2 ALA 3 -17.156 2.572 2.009
22 HB3 ALA 3 HB3 ALA 3 -17.624 0.999 2.657
23 H LEU 4 H LEU 4 -16.245 -1.081 2.340
24 HA LEU 4 HA LEU 4 -13.570 -0.262 3.256
25 HB2 LEU 4 HB2 LEU 4 -15.750 -1.718 4.245
26 HB3 LEU 4 HB3 LEU 4 -14.486 -2.925 4.019
27 HG LEU 4 HG LEU 4 -14.385 -1.912 6.277
28 HD11 LEU 4 HD11 LEU 4 -12.037 -1.563 6.309
29 HD12 LEU 4 HD12 LEU 4 -12.028 -0.920 4.668
30 HD13 LEU 4 HD13 LEU 4 -12.314 -2.638 4.939
31 HD21 LEU 4 HD21 LEU 4 -15.262 0.349 5.379
32 HD22 LEU 4 HD22 LEU 4 -13.587 0.675 4.936
33 HD23 LEU 4 HD23 LEU 4 -14.014 0.403 6.624
34 H VAL 5 H VAL 5 -14.379 -1.563 0.401
35 HA VAL 5 HA VAL 5 -12.333 -3.731 0.392
36 HB VAL 5 HB VAL 5 -14.460 -2.800 -1.569
37 HG11 VAL 5 HG11 VAL 5 -13.803 -5.131 -2.607
38 HG12 VAL 5 HG12 VAL 5 -12.259 -4.833 -1.808
39 HG13 VAL 5 HG13 VAL 5 -12.860 -3.697 -3.014
40 HG21 VAL 5 HG21 VAL 5 -14.172 -5.177 0.287
41 HG22 VAL 5 HG22 VAL 5 -15.352 -5.130 -1.023
42 HG23 VAL 5 HG23 VAL 5 -15.444 -3.956 0.289
43 H ASN 6 H ASN 6 -13.223 -0.795 -1.479
44 HA ASN 6 HA ASN 6 -10.835 -0.701 -3.070
45 HB2 ASN 6 HB2 ASN 6 -13.241 0.806 -2.613
46 HB3 ASN 6 HB3 ASN 6 -11.873 1.919 -2.606
47 HD21 ASN 6 HD21 ASN 6 -10.256 1.519 -4.527
48 HD22 ASN 6 HD22 ASN 6 -10.958 1.144 -6.027
49 H SER 7 H SER 7 -11.645 0.719 0.110
50 HA SER 7 HA SER 7 -9.368 2.399 0.437
51 HB2 SER 7 HB2 SER 7 -9.862 1.931 2.907
52 HB3 SER 7 HB3 SER 7 -11.224 2.515 1.957
53 HG SER 7 HG SER 7 -11.343 0.475 3.394
54 H TYR 8 H TYR 8 -9.837 -0.990 1.528
55 HA TYR 8 HA TYR 8 -7.118 -1.403 2.392
56 HB2 TYR 8 HB2 TYR 8 -8.821 -2.852 3.211
57 HB3 TYR 8 HB3 TYR 8 -9.452 -3.156 1.594
58 HD1 TYR 8 HD1 TYR 8 -6.381 -3.630 3.684
59 HD2 TYR 8 HD2 TYR 8 -8.748 -5.044 0.390
60 HE1 TYR 8 HE2 TYR 8 -4.908 -5.612 3.478
61 HE2 TYR 8 HE1 TYR 8 -7.273 -7.027 0.182
62 HH TYR 8 HH TYR 8 -5.707 -8.334 1.850
63 H LEU 9 H LEU 9 -8.816 -1.988 -0.690
64 HA LEU 9 HA LEU 9 -6.737 -3.356 -2.086
65 HB2 LEU 9 HB2 LEU 9 -9.156 -1.722 -2.737
66 HB3 LEU 9 HB3 LEU 9 -8.032 -2.057 -4.050
67 HG LEU 9 HG LEU 9 -9.175 -4.196 -2.233
68 HD11 LEU 9 HD11 LEU 9 -10.005 -3.540 -5.072
69 HD12 LEU 9 HD12 LEU 9 -10.899 -3.001 -3.651
70 HD13 LEU 9 HD13 LEU 9 -10.737 -4.724 -3.989
71 HD21 LEU 9 HD21 LEU 9 -7.600 -4.242 -4.825
72 HD22 LEU 9 HD22 LEU 9 -8.396 -5.661 -4.144
73 HD23 LEU 9 HD23 LEU 9 -7.092 -4.872 -3.258
74 H TRP 10 H TRP 10 -7.327 0.104 -1.532
75 HA TRP 10 HA TRP 10 -5.244 1.037 -3.334
76 HB2 TRP 10 HB2 TRP 10 -7.194 2.390 -2.647
77 HB3 TRP 10 HB3 TRP 10 -6.654 2.326 -0.969
78 HD1 TRP 10 HD1 TRP 10 -4.649 3.053 -4.194
79 HE1 TRP 10 HE1 TRP 10 -3.401 5.284 -3.882
80 HE3 TRP 10 HE3 TRP 10 -6.379 4.393 0.420
81 HZ2 TRP 10 HZ2 TRP 10 -3.167 7.365 -1.934
82 HZ3 TRP 10 HZ3 TRP 10 -5.627 6.502 1.479
83 HH2 TRP 10 HH2 TRP 10 -4.024 7.989 0.309
84 H GLN 11 H GLN 11 -5.454 0.398 0.177
85 HA GLN 11 HA GLN 11 -2.872 1.370 0.922
86 HB2 GLN 11 HB2 GLN 11 -5.067 0.257 2.151
87 HB3 GLN 11 HB3 GLN 11 -3.889 -1.047 2.297
88 HG2 GLN 11 HG2 GLN 11 -2.709 1.558 2.897
89 HG3 GLN 11 HG3 GLN 11 -4.072 1.190 3.954
90 HE21 GLN 11 HE21 GLN 11 -3.990 -1.195 4.870
91 HE22 GLN 11 HE22 GLN 11 -2.459 -1.754 5.341
92 H ARG 12 H ARG 12 -3.924 -1.767 -0.384
93 HA ARG 12 HA ARG 12 -1.586 -3.323 -0.012
94 HB2 ARG 12 HB2 ARG 12 -3.688 -3.158 -2.188
95 HB3 ARG 12 HB3 ARG 12 -2.457 -4.419 -2.174
96 HG2 ARG 12 HG2 ARG 12 -4.073 -3.926 0.309
97 HG3 ARG 12 HG3 ARG 12 -4.789 -4.844 -1.016
98 HD2 ARG 12 HD2 ARG 12 -3.737 -6.649 -0.098
99 HD3 ARG 12 HD3 ARG 12 -2.248 -5.963 -0.778
100 HE ARG 12 HE ARG 12 -2.785 -4.612 1.669
101 HH11 ARG 12 HH11 ARG 12 -3.490 -7.464 2.422
102 HH12 ARG 12 HH12 ARG 12 -1.963 -8.057 2.990
103 HH21 ARG 12 HH21 ARG 12 -0.131 -5.476 1.546
104 HH22 ARG 12 HH22 ARG 12 -0.054 -6.927 2.489
105 H TRP 13 H TRP 13 -2.380 -0.970 -2.561
106 HA TRP 13 HA TRP 13 -0.224 -1.363 -4.346
107 HB2 TRP 13 HB2 TRP 13 -2.371 0.354 -3.999
108 HB3 TRP 13 HB3 TRP 13 -0.992 1.433 -3.827
109 HD1 TRP 13 HD1 TRP 13 -2.976 1.499 -6.299
110 HE1 TRP 13 HE1 TRP 13 -2.037 1.171 -8.681
111 HE3 TRP 13 HE3 TRP 13 1.411 -0.865 -5.197
112 HZ2 TRP 13 HZ2 TRP 13 0.273 0.052 -9.944
113 HZ3 TRP 13 HZ3 TRP 13 2.959 -1.550 -7.002
114 HH2 TRP 13 HH2 TRP 13 2.399 -1.094 -9.373
115 H GLU 14 H GLU 14 -0.408 1.173 -1.825
116 HA GLU 14 HA GLU 14 2.393 1.837 -1.973
117 HB2 GLU 14 HB2 GLU 14 0.214 2.343 0.075
118 HB3 GLU 14 HB3 GLU 14 1.786 3.146 0.082
119 HG2 GLU 14 HG2 GLU 14 1.195 3.700 -2.426
120 HG3 GLU 14 HG3 GLU 14 -0.463 3.410 -1.895
121 H ASN 15 H ASN 15 0.537 -0.445 0.014
122 HA ASN 15 HA ASN 15 2.338 -0.947 2.125
123 HB2 ASN 15 HB2 ASN 15 -0.015 -1.921 1.488
124 HB3 ASN 15 HB3 ASN 15 0.914 -3.160 0.648
125 HD21 ASN 15 HD21 ASN 15 2.885 -3.983 2.196
126 HD22 ASN 15 HD22 ASN 15 2.398 -4.355 3.778
127 H TRP 16 H TRP 16 2.269 -2.485 -1.122
128 HA TRP 16 HA TRP 16 4.699 -4.014 -0.730
129 HB2 TRP 16 HB2 TRP 16 3.223 -4.788 -2.405
130 HB3 TRP 16 HB3 TRP 16 2.958 -3.167 -3.049
131 HD1 TRP 16 HD1 TRP 16 5.545 -5.995 -3.014
132 HE1 TRP 16 HE1 TRP 16 7.180 -5.642 -4.975
133 HE3 TRP 16 HE3 TRP 16 3.958 -1.431 -4.676
134 HZ2 TRP 16 HZ2 TRP 16 7.741 -3.684 -6.982
135 HZ3 TRP 16 HZ3 TRP 16 5.061 -0.348 -6.612
136 HH2 TRP 16 HH2 TRP 16 6.949 -1.467 -7.767
137 H PHE 17 H PHE 17 3.968 -0.889 -2.313
138 HA PHE 17 HA PHE 17 6.534 -0.268 -3.333
139 HB2 PHE 17 HB2 PHE 17 4.641 1.064 -3.923
140 HB3 PHE 17 HB3 PHE 17 4.227 1.359 -2.236
141 HD1 PHE 17 HD1 PHE 17 7.058 1.891 -4.648
142 HD2 PHE 17 HD2 PHE 17 4.877 3.374 -1.257
143 HE1 PHE 17 HE2 PHE 17 8.435 3.953 -4.663
144 HE2 PHE 17 HE1 PHE 17 6.254 5.436 -1.274
145 HZ PHE 17 HZ PHE 17 8.031 5.726 -2.977
146 H TRP 18 H TRP 18 5.137 0.746 -0.181
147 HA TRP 18 HA TRP 18 7.552 1.869 0.878
148 HB2 TRP 18 HB2 TRP 18 5.027 0.714 2.092
149 HB3 TRP 18 HB3 TRP 18 6.275 1.485 3.069
150 HD1 TRP 18 HD1 TRP 18 3.149 2.332 1.599
151 HE1 TRP 18 HE1 TRP 18 2.952 4.843 1.048
152 HE3 TRP 18 HE3 TRP 18 8.066 3.685 1.885
153 HZ2 TRP 18 HZ2 TRP 18 4.655 7.124 0.771
154 HZ3 TRP 18 HZ3 TRP 18 8.749 6.030 1.474
155 HH2 TRP 18 HH2 TRP 18 7.052 7.750 0.918
156 H ASN 19 H ASN 19 6.257 -1.439 0.884
157 HA ASN 19 HA ASN 19 7.946 -2.629 2.839
158 HB2 ASN 19 HB2 ASN 19 5.918 -3.558 1.602
159 HB3 ASN 19 HB3 ASN 19 6.998 -3.876 0.245
160 HD21 ASN 19 HD21 ASN 19 6.059 -4.956 3.451
161 HD22 ASN 19 HD22 ASN 19 7.079 -6.312 3.498
162 H VAL 20 H VAL 20 8.530 -2.038 -0.646
163 HA VAL 20 HA VAL 20 11.296 -3.127 -0.343
164 HB VAL 20 HB VAL 20 11.256 -3.028 -2.848
165 HG11 VAL 20 HG11 VAL 20 8.867 -4.427 -1.610
166 HG12 VAL 20 HG12 VAL 20 10.517 -5.050 -1.614
167 HG13 VAL 20 HG13 VAL 20 9.645 -4.851 -3.135
168 HG21 VAL 20 HG21 VAL 20 9.254 -1.170 -2.508
169 HG22 VAL 20 HG22 VAL 20 8.335 -2.612 -2.935
170 HG23 VAL 20 HG23 VAL 20 9.589 -2.012 -4.019
171 H THR 21 H THR 21 9.849 -0.164 0.045
172 HA THR 21 HA THR 21 12.076 1.356 -1.243
173 HB THR 21 HB THR 21 9.321 2.107 -0.221
174 HG1 THR 21 HG1 THR 21 9.041 1.339 -2.187
175 HG21 THR 21 HG21 THR 21 11.612 3.816 -1.183
176 HG22 THR 21 HG22 THR 21 10.589 4.043 0.236
177 HG23 THR 21 HG23 THR 21 9.940 4.343 -1.375
178 H LEU 22 H LEU 22 10.391 0.880 1.852
179 HA LEU 22 HA LEU 22 11.892 2.801 3.373
180 HB2 LEU 22 HB2 LEU 22 10.342 0.291 4.058
181 HB3 LEU 22 HB3 LEU 22 11.027 1.347 5.292
182 HG LEU 22 HG LEU 22 9.149 2.322 3.123
183 HD11 LEU 22 HD11 LEU 22 8.250 0.586 4.863
184 HD12 LEU 22 HD12 LEU 22 7.335 2.068 4.586
185 HD13 LEU 22 HD13 LEU 22 8.373 1.926 6.005
186 HD21 LEU 22 HD21 LEU 22 10.282 3.512 5.668
187 HD22 LEU 22 HD22 LEU 22 8.890 4.203 4.834
188 HD23 LEU 22 HD23 LEU 22 10.453 4.122 4.022
189 H ARG 23 H ARG 23 12.191 -0.764 3.333
190 HA ARG 23 HA ARG 23 15.110 -0.653 3.305
191 HB2 ARG 23 HB2 ARG 23 15.301 -1.687 5.610
192 HB3 ARG 23 HB3 ARG 23 14.750 -0.014 5.611
193 HG2 ARG 23 HG2 ARG 23 12.474 -1.769 5.371
194 HG3 ARG 23 HG3 ARG 23 13.451 -2.260 6.756
195 HD2 ARG 23 HD2 ARG 23 13.415 0.063 7.612
196 HD3 ARG 23 HD3 ARG 23 12.418 0.552 6.228
197 HE ARG 23 HE ARG 23 10.909 -1.463 7.133
198 HH11 ARG 23 HH11 ARG 23 12.418 -1.505 9.729
199 HH12 ARG 23 HH12 ARG 23 11.465 -0.453 10.720
200 HH21 ARG 23 HH21 ARG 23 9.767 0.959 8.031
201 HH22 ARG 23 HH22 ARG 23 9.955 0.950 9.753
202 HA PRO 24 HA PRO 24 13.168 -4.557 1.780
203 HB2 PRO 24 HB2 PRO 24 14.620 -4.665 -0.538
204 HB3 PRO 24 HB3 PRO 24 13.103 -3.758 -0.389
205 HG2 PRO 24 HG2 PRO 24 15.909 -2.776 -0.316
206 HG3 PRO 24 HG3 PRO 24 14.475 -2.045 -1.054
207 HD2 PRO 24 HD2 PRO 24 15.520 -1.234 1.331
208 HD3 PRO 24 HD3 PRO 24 13.802 -1.072 0.903
209 H GLU 25 H GLU 25 14.452 -6.597 0.995
210 HA GLU 25 HA GLU 25 16.104 -8.221 1.419
211 HB2 GLU 25 HB2 GLU 25 17.511 -5.611 1.144
212 HB3 GLU 25 HB3 GLU 25 18.445 -6.924 1.857
213 HG2 GLU 25 HG2 GLU 25 18.858 -7.533 -0.291
214 HG3 GLU 25 HG3 GLU 25 17.221 -8.190 -0.255
215 H ARG 26 H ARG 26 17.908 -8.761 3.189
216 HA ARG 26 HA ARG 26 17.474 -7.497 5.810
217 HB2 ARG 26 HB2 ARG 26 16.550 -9.611 6.791
218 HB3 ARG 26 HB3 ARG 26 15.480 -8.887 5.592
219 HG2 ARG 26 HG2 ARG 26 15.560 -10.752 4.334
220 HG3 ARG 26 HG3 ARG 26 17.320 -10.674 4.272
221 HD2 ARG 26 HD2 ARG 26 15.910 -11.728 6.731
222 HD3 ARG 26 HD3 ARG 26 16.272 -12.787 5.354
223 HE ARG 26 HE ARG 26 18.691 -11.822 5.622
224 HH11 ARG 26 HH11 ARG 26 17.750 -14.096 7.492
225 HH12 ARG 26 HH12 ARG 26 18.352 -13.524 9.011
226 HH21 ARG 26 HH21 ARG 26 18.900 -10.283 7.870
227 HH22 ARG 26 HH22 ARG 26 19.006 -11.357 9.227
Start of MODEL 11
1 HA ARG 1 HA ARG 1 -15.500 1.814 -7.388
2 HB2 ARG 1 HB2 ARG 1 -14.116 3.282 -6.097
3 HB3 ARG 1 HB3 ARG 1 -14.654 4.235 -7.479
4 HG2 ARG 1 HG2 ARG 1 -16.658 4.590 -5.540
5 HG3 ARG 1 HG3 ARG 1 -15.141 4.676 -4.646
6 HD2 ARG 1 HD2 ARG 1 -15.095 6.145 -7.208
7 HD3 ARG 1 HD3 ARG 1 -16.235 6.793 -6.012
8 HE ARG 1 HE ARG 1 -13.303 6.458 -5.574
9 HH11 ARG 1 HH11 ARG 1 -14.926 9.082 -5.544
10 HH12 ARG 1 HH12 ARG 1 -14.996 9.394 -3.843
11 HH21 ARG 1 HH21 ARG 1 -14.028 6.178 -2.948
12 HH22 ARG 1 HH22 ARG 1 -14.483 7.744 -2.366
13 H SER 2 H SER 2 -15.174 1.181 -5.000
14 HA SER 2 HA SER 2 -17.804 1.266 -3.549
15 HB2 SER 2 HB2 SER 2 -15.838 -0.876 -4.217
16 HB3 SER 2 HB3 SER 2 -16.620 -0.981 -2.642
17 HG SER 2 HG SER 2 -17.610 -1.734 -4.921
18 H ALA 3 H ALA 3 -17.573 1.109 -1.146
19 HA ALA 3 HA ALA 3 -15.285 2.740 -0.201
20 HB1 ALA 3 HB1 ALA 3 -16.715 2.712 1.910
21 HB2 ALA 3 HB2 ALA 3 -17.892 1.766 0.999
22 HB3 ALA 3 HB3 ALA 3 -17.490 3.406 0.487
23 H LEU 4 H LEU 4 -16.720 -0.483 0.400
24 HA LEU 4 HA LEU 4 -14.540 -1.170 2.291
25 HB2 LEU 4 HB2 LEU 4 -17.122 -1.716 2.363
26 HB3 LEU 4 HB3 LEU 4 -16.669 -3.047 1.298
27 HG LEU 4 HG LEU 4 -14.753 -3.339 3.168
28 HD11 LEU 4 HD11 LEU 4 -17.115 -2.052 4.562
29 HD12 LEU 4 HD12 LEU 4 -15.435 -1.518 4.589
30 HD13 LEU 4 HD13 LEU 4 -15.898 -3.011 5.405
31 HD21 LEU 4 HD21 LEU 4 -16.167 -5.088 4.153
32 HD22 LEU 4 HD22 LEU 4 -16.393 -5.047 2.405
33 HD23 LEU 4 HD23 LEU 4 -17.607 -4.334 3.467
34 H VAL 5 H VAL 5 -14.200 -0.817 -0.792
35 HA VAL 5 HA VAL 5 -12.927 -3.491 -1.288
36 HB VAL 5 HB VAL 5 -14.325 -1.564 -3.174
37 HG11 VAL 5 HG11 VAL 5 -12.569 -2.473 -4.469
38 HG12 VAL 5 HG12 VAL 5 -13.929 -3.545 -4.800
39 HG13 VAL 5 HG13 VAL 5 -12.672 -4.039 -3.667
40 HG21 VAL 5 HG21 VAL 5 -14.978 -4.301 -2.064
41 HG22 VAL 5 HG22 VAL 5 -15.744 -3.683 -3.527
42 HG23 VAL 5 HG23 VAL 5 -15.957 -2.837 -1.994
43 H ASN 6 H ASN 6 -12.775 0.008 -2.102
44 HA ASN 6 HA ASN 6 -10.094 -0.146 -3.204
45 HB2 ASN 6 HB2 ASN 6 -10.412 2.138 -3.590
46 HB3 ASN 6 HB3 ASN 6 -12.078 1.572 -3.497
47 HD21 ASN 6 HD21 ASN 6 -9.547 3.326 -1.698
48 HD22 ASN 6 HD22 ASN 6 -10.597 3.996 -0.545
49 H SER 7 H SER 7 -11.366 0.212 0.044
50 HA SER 7 HA SER 7 -9.343 1.572 1.425
51 HB2 SER 7 HB2 SER 7 -11.580 0.442 2.155
52 HB3 SER 7 HB3 SER 7 -10.585 -0.982 2.447
53 HG SER 7 HG SER 7 -10.928 0.674 4.206
54 H TYR 8 H TYR 8 -9.455 -1.988 0.914
55 HA TYR 8 HA TYR 8 -6.724 -2.381 1.848
56 HB2 TYR 8 HB2 TYR 8 -8.148 -4.215 2.156
57 HB3 TYR 8 HB3 TYR 8 -8.931 -3.996 0.593
58 HD1 TYR 8 HD1 TYR 8 -5.638 -4.926 2.126
59 HD2 TYR 8 HD2 TYR 8 -8.278 -5.295 -1.244
60 HE1 TYR 8 HE2 TYR 8 -4.120 -6.611 1.121
61 HE2 TYR 8 HE1 TYR 8 -6.762 -6.980 -2.248
62 HH TYR 8 HH TYR 8 -4.450 -7.679 -2.133
63 H LEU 9 H LEU 9 -8.304 -2.302 -1.363
64 HA LEU 9 HA LEU 9 -6.093 -2.980 -2.991
65 HB2 LEU 9 HB2 LEU 9 -8.641 -1.455 -3.240
66 HB3 LEU 9 HB3 LEU 9 -7.459 -1.223 -4.528
67 HG LEU 9 HG LEU 9 -8.304 -3.966 -3.566
68 HD11 LEU 9 HD11 LEU 9 -10.324 -3.074 -4.412
69 HD12 LEU 9 HD12 LEU 9 -9.625 -3.919 -5.793
70 HD13 LEU 9 HD13 LEU 9 -9.495 -2.164 -5.675
71 HD21 LEU 9 HD21 LEU 9 -7.345 -4.678 -5.706
72 HD22 LEU 9 HD22 LEU 9 -6.148 -3.754 -4.799
73 HD23 LEU 9 HD23 LEU 9 -7.012 -3.001 -6.139
74 H TRP 10 H TRP 10 -7.018 0.209 -1.660
75 HA TRP 10 HA TRP 10 -4.915 1.673 -3.025
76 HB2 TRP 10 HB2 TRP 10 -6.835 2.879 -2.307
77 HB3 TRP 10 HB3 TRP 10 -6.782 2.166 -0.695
78 HD1 TRP 10 HD1 TRP 10 -4.632 4.503 -2.909
79 HE1 TRP 10 HE1 TRP 10 -3.439 6.192 -1.370
80 HE3 TRP 10 HE3 TRP 10 -6.175 2.789 1.648
81 HZ2 TRP 10 HZ2 TRP 10 -3.178 6.745 1.421
82 HZ3 TRP 10 HZ3 TRP 10 -5.439 3.915 3.728
83 HH2 TRP 10 HH2 TRP 10 -3.943 5.890 3.621
84 H GLN 11 H GLN 11 -5.285 0.493 0.350
85 HA GLN 11 HA GLN 11 -2.729 1.378 1.278
86 HB2 GLN 11 HB2 GLN 11 -4.865 0.497 2.499
87 HB3 GLN 11 HB3 GLN 11 -4.144 -1.097 2.270
88 HG2 GLN 11 HG2 GLN 11 -3.290 -0.473 4.358
89 HG3 GLN 11 HG3 GLN 11 -1.993 0.022 3.271
90 HE21 GLN 11 HE21 GLN 11 -1.741 2.347 2.845
91 HE22 GLN 11 HE22 GLN 11 -2.498 3.504 3.828
92 H ARG 12 H ARG 12 -3.727 -1.931 0.255
93 HA ARG 12 HA ARG 12 -1.256 -3.246 0.434
94 HB2 ARG 12 HB2 ARG 12 -3.750 -3.852 -0.416
95 HB3 ARG 12 HB3 ARG 12 -2.933 -3.754 -1.976
96 HG2 ARG 12 HG2 ARG 12 -1.880 -5.384 0.349
97 HG3 ARG 12 HG3 ARG 12 -2.916 -6.054 -0.911
98 HD2 ARG 12 HD2 ARG 12 -1.202 -5.179 -2.604
99 HD3 ARG 12 HD3 ARG 12 -0.125 -4.916 -1.218
100 HE ARG 12 HE ARG 12 -0.339 -7.338 -0.706
101 HH11 ARG 12 HH11 ARG 12 0.660 -6.830 -3.622
102 HH12 ARG 12 HH12 ARG 12 -0.196 -8.085 -4.453
103 HH21 ARG 12 HH21 ARG 12 -2.381 -8.699 -1.817
104 HH22 ARG 12 HH22 ARG 12 -1.923 -9.152 -3.426
105 H TRP 13 H TRP 13 -2.427 -1.152 -2.198
106 HA TRP 13 HA TRP 13 -0.365 -1.605 -4.104
107 HB2 TRP 13 HB2 TRP 13 -2.613 0.042 -3.728
108 HB3 TRP 13 HB3 TRP 13 -1.273 1.160 -3.949
109 HD1 TRP 13 HD1 TRP 13 -3.621 0.618 -6.078
110 HE1 TRP 13 HE1 TRP 13 -2.970 -0.096 -8.472
111 HE3 TRP 13 HE3 TRP 13 1.090 -1.146 -5.218
112 HZ2 TRP 13 HZ2 TRP 13 -0.739 -1.257 -9.836
113 HZ3 TRP 13 HZ3 TRP 13 2.456 -2.046 -7.078
114 HH2 TRP 13 HH2 TRP 13 1.549 -2.103 -9.383
115 H GLU 14 H GLU 14 -0.630 1.112 -1.793
116 HA GLU 14 HA GLU 14 2.113 1.981 -2.240
117 HB2 GLU 14 HB2 GLU 14 -0.025 2.695 -0.211
118 HB3 GLU 14 HB3 GLU 14 1.470 3.602 -0.449
119 HG2 GLU 14 HG2 GLU 14 0.708 3.614 -2.978
120 HG3 GLU 14 HG3 GLU 14 -0.890 3.327 -2.288
121 H ASN 15 H ASN 15 0.434 0.297 0.457
122 HA ASN 15 HA ASN 15 2.551 0.233 2.325
123 HB2 ASN 15 HB2 ASN 15 0.032 -0.733 2.210
124 HB3 ASN 15 HB3 ASN 15 0.918 -2.234 1.939
125 HD21 ASN 15 HD21 ASN 15 3.149 -1.980 3.578
126 HD22 ASN 15 HD22 ASN 15 2.673 -1.785 5.196
127 H TRP 16 H TRP 16 1.906 -1.985 -0.416
128 HA TRP 16 HA TRP 16 4.195 -3.692 0.078
129 HB2 TRP 16 HB2 TRP 16 2.417 -4.565 -1.238
130 HB3 TRP 16 HB3 TRP 16 2.337 -3.117 -2.240
131 HD1 TRP 16 HD1 TRP 16 4.446 -6.265 -1.684
132 HE1 TRP 16 HE1 TRP 16 5.915 -6.650 -3.765
133 HE3 TRP 16 HE3 TRP 16 3.439 -1.981 -4.281
134 HZ2 TRP 16 HZ2 TRP 16 6.580 -5.320 -6.204
135 HZ3 TRP 16 HZ3 TRP 16 4.507 -1.569 -6.480
136 HH2 TRP 16 HH2 TRP 16 6.075 -3.233 -7.439
137 H PHE 17 H PHE 17 3.600 -0.935 -2.132
138 HA PHE 17 HA PHE 17 6.147 -0.860 -3.395
139 HB2 PHE 17 HB2 PHE 17 3.967 0.380 -3.917
140 HB3 PHE 17 HB3 PHE 17 4.420 1.515 -2.645
141 HD1 PHE 17 HD1 PHE 17 5.545 0.032 -5.874
142 HD2 PHE 17 HD2 PHE 17 6.034 3.215 -3.032
143 HE1 PHE 17 HE2 PHE 17 7.017 1.230 -7.470
144 HE2 PHE 17 HE1 PHE 17 7.505 4.415 -4.629
145 HZ PHE 17 HZ PHE 17 7.997 3.422 -6.847
146 H TRP 18 H TRP 18 4.998 0.749 -0.411
147 HA TRP 18 HA TRP 18 7.546 2.049 0.131
148 HB2 TRP 18 HB2 TRP 18 5.073 1.495 1.796
149 HB3 TRP 18 HB3 TRP 18 6.397 2.534 2.315
150 HD1 TRP 18 HD1 TRP 18 3.241 3.287 1.500
151 HE1 TRP 18 HE1 TRP 18 2.910 5.279 -0.101
152 HE3 TRP 18 HE3 TRP 18 7.916 3.563 -0.551
153 HZ2 TRP 18 HZ2 TRP 18 4.424 6.786 -1.995
154 HZ3 TRP 18 HZ3 TRP 18 8.439 5.286 -2.248
155 HH2 TRP 18 HH2 TRP 18 6.701 6.898 -2.973
156 H ASN 19 H ASN 19 6.406 -1.181 0.612
157 HA ASN 19 HA ASN 19 8.350 -1.659 2.829
158 HB2 ASN 19 HB2 ASN 19 5.871 -2.921 1.764
159 HB3 ASN 19 HB3 ASN 19 7.068 -4.010 2.462
160 HD21 ASN 19 HD21 ASN 19 5.355 -0.926 3.250
161 HD22 ASN 19 HD22 ASN 19 5.292 -1.225 4.920
162 H VAL 20 H VAL 20 7.816 -2.314 -0.586
163 HA VAL 20 HA VAL 20 10.089 -4.257 -0.625
164 HB VAL 20 HB VAL 20 7.979 -3.541 -2.692
165 HG11 VAL 20 HG11 VAL 20 10.074 -4.495 -3.634
166 HG12 VAL 20 HG12 VAL 20 8.703 -5.589 -3.820
167 HG13 VAL 20 HG13 VAL 20 9.901 -5.884 -2.559
168 HG21 VAL 20 HG21 VAL 20 7.194 -5.926 -2.013
169 HG22 VAL 20 HG22 VAL 20 6.798 -4.586 -0.937
170 HG23 VAL 20 HG23 VAL 20 8.142 -5.660 -0.552
171 H THR 21 H THR 21 8.928 -1.251 -2.201
172 HA THR 21 HA THR 21 11.308 -0.990 -3.864
173 HB THR 21 HB THR 21 9.286 1.142 -3.148
174 HG1 THR 21 HG1 THR 21 7.880 -0.184 -3.947
175 HG21 THR 21 HG21 THR 21 11.247 1.813 -4.505
176 HG22 THR 21 HG22 THR 21 9.748 1.913 -5.429
177 HG23 THR 21 HG23 THR 21 10.847 0.558 -5.680
178 H LEU 22 H LEU 22 10.263 0.356 -0.753
179 HA LEU 22 HA LEU 22 12.394 2.313 -0.563
180 HB2 LEU 22 HB2 LEU 22 10.522 0.992 1.416
181 HB3 LEU 22 HB3 LEU 22 11.665 2.245 1.892
182 HG LEU 22 HG LEU 22 9.430 2.511 -0.141
183 HD11 LEU 22 HD11 LEU 22 9.906 3.507 2.661
184 HD12 LEU 22 HD12 LEU 22 8.461 2.759 1.983
185 HD13 LEU 22 HD13 LEU 22 8.875 4.419 1.559
186 HD21 LEU 22 HD21 LEU 22 11.172 3.851 -1.018
187 HD22 LEU 22 HD22 LEU 22 11.737 4.320 0.586
188 HD23 LEU 22 HD23 LEU 22 10.229 4.979 -0.046
189 H ARG 23 H ARG 23 11.903 -0.667 1.348
190 HA ARG 23 HA ARG 23 13.466 -2.083 2.418
191 HB2 ARG 23 HB2 ARG 23 13.699 -2.172 -0.267
192 HB3 ARG 23 HB3 ARG 23 15.329 -1.631 0.130
193 HG2 ARG 23 HG2 ARG 23 14.178 -3.902 1.705
194 HG3 ARG 23 HG3 ARG 23 14.719 -4.224 0.058
195 HD2 ARG 23 HD2 ARG 23 16.455 -2.836 2.130
196 HD3 ARG 23 HD3 ARG 23 16.516 -4.579 1.809
197 HE ARG 23 HE ARG 23 16.702 -3.026 -0.642
198 HH11 ARG 23 HH11 ARG 23 18.824 -2.001 1.335
199 HH12 ARG 23 HH12 ARG 23 20.183 -2.978 0.888
200 HH21 ARG 23 HH21 ARG 23 18.271 -5.257 -0.916
201 HH22 ARG 23 HH22 ARG 23 19.866 -4.828 -0.397
202 HA PRO 24 HA PRO 24 16.234 1.514 3.567
203 HB2 PRO 24 HB2 PRO 24 15.187 2.035 6.038
204 HB3 PRO 24 HB3 PRO 24 14.580 2.793 4.554
205 HG2 PRO 24 HG2 PRO 24 13.433 0.578 6.150
206 HG3 PRO 24 HG3 PRO 24 12.619 1.841 5.216
207 HD2 PRO 24 HD2 PRO 24 12.972 -0.785 4.397
208 HD3 PRO 24 HD3 PRO 24 12.602 0.585 3.329
209 H GLU 25 H GLU 25 17.719 -0.394 3.631
210 HA GLU 25 HA GLU 25 19.186 -1.870 4.747
211 HB2 GLU 25 HB2 GLU 25 19.140 0.495 6.021
212 HB3 GLU 25 HB3 GLU 25 18.519 -0.514 7.328
213 HG2 GLU 25 HG2 GLU 25 20.536 -1.481 7.681
214 HG3 GLU 25 HG3 GLU 25 20.817 -1.715 5.956
215 H ARG 26 H ARG 26 16.457 -2.810 4.490
216 HA ARG 26 HA ARG 26 16.162 -4.396 7.024
217 HB2 ARG 26 HB2 ARG 26 14.267 -2.922 5.255
218 HB3 ARG 26 HB3 ARG 26 13.693 -4.446 5.931
219 HG2 ARG 26 HG2 ARG 26 14.739 -3.425 8.165
220 HG3 ARG 26 HG3 ARG 26 14.420 -1.906 7.328
221 HD2 ARG 26 HD2 ARG 26 12.158 -3.745 7.096
222 HD3 ARG 26 HD3 ARG 26 12.547 -3.378 8.789
223 HE ARG 26 HE ARG 26 12.016 -1.297 6.700
224 HH11 ARG 26 HH11 ARG 26 10.115 -2.060 9.006
225 HH12 ARG 26 HH12 ARG 26 10.411 -0.758 10.109
226 HH21 ARG 26 HH21 ARG 26 13.342 0.255 8.541
227 HH22 ARG 26 HH22 ARG 26 12.243 0.555 9.846
Start of MODEL 12
1 HA ARG 1 HA ARG 1 -19.710 0.605 -2.915
2 HB2 ARG 1 HB2 ARG 1 -22.049 -1.218 -3.265
3 HB3 ARG 1 HB3 ARG 1 -22.037 -0.211 -1.816
4 HG2 ARG 1 HG2 ARG 1 -22.129 1.773 -3.024
5 HG3 ARG 1 HG3 ARG 1 -21.397 1.055 -4.459
6 HD2 ARG 1 HD2 ARG 1 -23.546 1.014 -5.253
7 HD3 ARG 1 HD3 ARG 1 -23.721 -0.417 -4.219
8 HE ARG 1 HE ARG 1 -24.280 2.333 -3.166
9 HH11 ARG 1 HH11 ARG 1 -24.417 -0.034 -1.328
10 HH12 ARG 1 HH12 ARG 1 -26.106 -0.417 -1.352
11 HH21 ARG 1 HH21 ARG 1 -26.749 1.436 -4.223
12 HH22 ARG 1 HH22 ARG 1 -27.432 0.419 -2.998
13 H SER 2 H SER 2 -17.740 -0.551 -1.875
14 HA SER 2 HA SER 2 -18.586 -1.639 0.778
15 HB2 SER 2 HB2 SER 2 -17.627 -3.187 -1.322
16 HB3 SER 2 HB3 SER 2 -16.188 -2.900 -0.348
17 HG SER 2 HG SER 2 -16.969 -4.260 1.042
18 H ALA 3 H ALA 3 -17.116 -1.133 2.466
19 HA ALA 3 HA ALA 3 -15.154 1.017 1.817
20 HB1 ALA 3 HB1 ALA 3 -16.957 1.403 3.468
21 HB2 ALA 3 HB2 ALA 3 -15.368 1.498 4.228
22 HB3 ALA 3 HB3 ALA 3 -16.358 0.052 4.431
23 H LEU 4 H LEU 4 -15.184 -2.338 2.566
24 HA LEU 4 HA LEU 4 -12.465 -2.250 3.789
25 HB2 LEU 4 HB2 LEU 4 -14.648 -3.596 4.531
26 HB3 LEU 4 HB3 LEU 4 -14.040 -4.757 3.350
27 HG LEU 4 HG LEU 4 -11.764 -4.491 4.559
28 HD11 LEU 4 HD11 LEU 4 -12.056 -3.903 6.990
29 HD12 LEU 4 HD12 LEU 4 -13.682 -3.338 6.607
30 HD13 LEU 4 HD13 LEU 4 -12.279 -2.537 5.898
31 HD21 LEU 4 HD21 LEU 4 -12.419 -6.185 6.246
32 HD22 LEU 4 HD22 LEU 4 -13.153 -6.524 4.679
33 HD23 LEU 4 HD23 LEU 4 -14.117 -5.799 5.966
34 H VAL 5 H VAL 5 -13.708 -2.342 0.715
35 HA VAL 5 HA VAL 5 -11.694 -4.305 -0.308
36 HB VAL 5 HB VAL 5 -14.151 -3.009 -1.549
37 HG11 VAL 5 HG11 VAL 5 -12.334 -3.569 -3.191
38 HG12 VAL 5 HG12 VAL 5 -13.805 -4.509 -3.430
39 HG13 VAL 5 HG13 VAL 5 -12.410 -5.242 -2.638
40 HG21 VAL 5 HG21 VAL 5 -13.586 -5.760 -0.414
41 HG22 VAL 5 HG22 VAL 5 -14.964 -5.426 -1.462
42 HG23 VAL 5 HG23 VAL 5 -14.828 -4.618 0.099
43 H ASN 6 H ASN 6 -13.082 -1.116 -1.236
44 HA ASN 6 HA ASN 6 -10.959 -0.371 -3.011
45 HB2 ASN 6 HB2 ASN 6 -12.967 1.223 -1.382
46 HB3 ASN 6 HB3 ASN 6 -11.955 1.927 -2.644
47 HD21 ASN 6 HD21 ASN 6 -12.112 0.611 -4.849
48 HD22 ASN 6 HD22 ASN 6 -13.675 0.117 -5.291
49 H SER 7 H SER 7 -11.473 0.331 0.470
50 HA SER 7 HA SER 7 -9.241 2.055 0.884
51 HB2 SER 7 HB2 SER 7 -11.221 1.352 2.413
52 HB3 SER 7 HB3 SER 7 -10.217 -0.026 2.852
53 HG SER 7 HG SER 7 -10.125 2.236 3.993
54 H TYR 8 H TYR 8 -9.482 -1.507 1.191
55 HA TYR 8 HA TYR 8 -6.710 -1.963 1.838
56 HB2 TYR 8 HB2 TYR 8 -8.227 -3.689 2.362
57 HB3 TYR 8 HB3 TYR 8 -9.049 -3.566 0.808
58 HD1 TYR 8 HD1 TYR 8 -5.735 -4.471 2.308
59 HD2 TYR 8 HD2 TYR 8 -8.499 -5.043 -0.930
60 HE1 TYR 8 HE2 TYR 8 -4.296 -6.274 1.398
61 HE2 TYR 8 HE1 TYR 8 -7.060 -6.846 -1.840
62 HH TYR 8 HH TYR 8 -5.142 -8.520 -0.498
63 H LEU 9 H LEU 9 -8.530 -1.937 -1.232
64 HA LEU 9 HA LEU 9 -6.549 -2.869 -3.014
65 HB2 LEU 9 HB2 LEU 9 -9.058 -1.403 -3.043
66 HB3 LEU 9 HB3 LEU 9 -7.977 -0.793 -4.291
67 HG LEU 9 HG LEU 9 -9.484 -2.734 -4.976
68 HD11 LEU 9 HD11 LEU 9 -6.489 -3.164 -5.181
69 HD12 LEU 9 HD12 LEU 9 -7.430 -2.084 -6.209
70 HD13 LEU 9 HD13 LEU 9 -7.711 -3.824 -6.268
71 HD21 LEU 9 HD21 LEU 9 -7.495 -4.445 -3.484
72 HD22 LEU 9 HD22 LEU 9 -9.042 -4.916 -4.185
73 HD23 LEU 9 HD23 LEU 9 -9.001 -3.930 -2.724
74 H TRP 10 H TRP 10 -6.984 0.397 -1.649
75 HA TRP 10 HA TRP 10 -4.780 1.523 -3.241
76 HB2 TRP 10 HB2 TRP 10 -6.602 2.974 -2.724
77 HB3 TRP 10 HB3 TRP 10 -6.617 2.480 -1.032
78 HD1 TRP 10 HD1 TRP 10 -4.081 4.132 -3.461
79 HE1 TRP 10 HE1 TRP 10 -2.801 5.950 -2.157
80 HE3 TRP 10 HE3 TRP 10 -6.200 3.565 1.149
81 HZ2 TRP 10 HZ2 TRP 10 -2.692 7.024 0.492
82 HZ3 TRP 10 HZ3 TRP 10 -5.491 4.997 3.044
83 HH2 TRP 10 HH2 TRP 10 -3.741 6.725 2.722
84 H GLN 11 H GLN 11 -5.341 0.689 0.208
85 HA GLN 11 HA GLN 11 -2.771 1.454 1.186
86 HB2 GLN 11 HB2 GLN 11 -5.071 0.614 2.280
87 HB3 GLN 11 HB3 GLN 11 -4.199 -0.920 2.318
88 HG2 GLN 11 HG2 GLN 11 -2.531 1.312 3.200
89 HG3 GLN 11 HG3 GLN 11 -3.978 1.134 4.191
90 HE21 GLN 11 HE21 GLN 11 -4.428 -1.393 4.691
91 HE22 GLN 11 HE22 GLN 11 -3.058 -2.257 5.200
92 H ARG 12 H ARG 12 -3.936 -1.754 0.060
93 HA ARG 12 HA ARG 12 -1.558 -3.247 0.440
94 HB2 ARG 12 HB2 ARG 12 -3.941 -3.923 -0.318
95 HB3 ARG 12 HB3 ARG 12 -3.402 -3.511 -1.945
96 HG2 ARG 12 HG2 ARG 12 -1.473 -5.189 -0.517
97 HG3 ARG 12 HG3 ARG 12 -3.045 -5.968 -0.693
98 HD2 ARG 12 HD2 ARG 12 -2.561 -6.421 -2.858
99 HD3 ARG 12 HD3 ARG 12 -2.417 -4.681 -3.181
100 HE ARG 12 HE ARG 12 -0.102 -6.008 -1.877
101 HH11 ARG 12 HH11 ARG 12 -0.453 -6.858 -4.769
102 HH12 ARG 12 HH12 ARG 12 0.522 -5.688 -5.594
103 HH21 ARG 12 HH21 ARG 12 0.668 -3.516 -2.880
104 HH22 ARG 12 HH22 ARG 12 1.159 -3.788 -4.519
105 H TRP 13 H TRP 13 -2.538 -1.156 -2.266
106 HA TRP 13 HA TRP 13 -0.479 -1.685 -4.129
107 HB2 TRP 13 HB2 TRP 13 -2.596 0.127 -3.721
108 HB3 TRP 13 HB3 TRP 13 -1.169 1.139 -3.908
109 HD1 TRP 13 HD1 TRP 13 -3.564 0.786 -6.050
110 HE1 TRP 13 HE1 TRP 13 -2.947 0.098 -8.462
111 HE3 TRP 13 HE3 TRP 13 1.044 -1.240 -5.229
112 HZ2 TRP 13 HZ2 TRP 13 -0.777 -1.149 -9.852
113 HZ3 TRP 13 HZ3 TRP 13 2.365 -2.169 -7.107
114 HH2 TRP 13 HH2 TRP 13 1.463 -2.126 -9.415
115 H GLU 14 H GLU 14 -0.564 1.047 -1.822
116 HA GLU 14 HA GLU 14 2.227 1.714 -2.162
117 HB2 GLU 14 HB2 GLU 14 0.163 2.409 -0.048
118 HB3 GLU 14 HB3 GLU 14 1.702 3.243 -0.264
119 HG2 GLU 14 HG2 GLU 14 0.768 3.342 -2.808
120 HG3 GLU 14 HG3 GLU 14 -0.760 3.360 -1.925
121 H ASN 15 H ASN 15 0.465 -0.345 0.132
122 HA ASN 15 HA ASN 15 2.329 -0.647 2.215
123 HB2 ASN 15 HB2 ASN 15 -0.000 -1.672 1.863
124 HB3 ASN 15 HB3 ASN 15 0.801 -2.917 0.908
125 HD21 ASN 15 HD21 ASN 15 2.728 -4.025 2.124
126 HD22 ASN 15 HD22 ASN 15 2.503 -4.317 3.780
127 H TRP 16 H TRP 16 2.233 -2.390 -0.918
128 HA TRP 16 HA TRP 16 4.690 -3.876 -0.429
129 HB2 TRP 16 HB2 TRP 16 3.246 -4.883 -1.977
130 HB3 TRP 16 HB3 TRP 16 2.803 -3.344 -2.713
131 HD1 TRP 16 HD1 TRP 16 5.638 -5.931 -2.658
132 HE1 TRP 16 HE1 TRP 16 7.090 -5.607 -4.760
133 HE3 TRP 16 HE3 TRP 16 3.514 -1.689 -4.557
134 HZ2 TRP 16 HZ2 TRP 16 7.323 -3.795 -6.955
135 HZ3 TRP 16 HZ3 TRP 16 4.375 -0.687 -6.654
136 HH2 TRP 16 HH2 TRP 16 6.277 -1.735 -7.852
137 H PHE 17 H PHE 17 3.833 -0.959 -2.319
138 HA PHE 17 HA PHE 17 6.349 -0.388 -3.473
139 HB2 PHE 17 HB2 PHE 17 4.160 0.735 -3.922
140 HB3 PHE 17 HB3 PHE 17 4.276 1.533 -2.353
141 HD1 PHE 17 HD1 PHE 17 6.106 1.090 -5.586
142 HD2 PHE 17 HD2 PHE 17 5.467 3.553 -2.124
143 HE1 PHE 17 HE2 PHE 17 7.512 2.867 -6.590
144 HE2 PHE 17 HE1 PHE 17 6.874 5.329 -3.130
145 HZ PHE 17 HZ PHE 17 7.897 4.986 -5.362
146 H TRP 18 H TRP 18 5.057 0.591 -0.279
147 HA TRP 18 HA TRP 18 7.474 1.998 0.519
148 HB2 TRP 18 HB2 TRP 18 5.072 0.902 2.014
149 HB3 TRP 18 HB3 TRP 18 6.304 1.916 2.760
150 HD1 TRP 18 HD1 TRP 18 3.065 2.487 1.924
151 HE1 TRP 18 HE1 TRP 18 2.591 4.763 0.812
152 HE3 TRP 18 HE3 TRP 18 7.781 3.725 0.391
153 HZ2 TRP 18 HZ2 TRP 18 4.017 6.830 -0.546
154 HZ3 TRP 18 HZ3 TRP 18 8.191 5.854 -0.807
155 HH2 TRP 18 HH2 TRP 18 6.318 7.407 -1.277
156 H ASN 19 H ASN 19 6.129 -1.251 1.239
157 HA ASN 19 HA ASN 19 8.176 -2.075 3.062
158 HB2 ASN 19 HB2 ASN 19 5.891 -3.107 2.515
159 HB3 ASN 19 HB3 ASN 19 6.675 -3.845 1.120
160 HD21 ASN 19 HD21 ASN 19 6.126 -4.193 4.504
161 HD22 ASN 19 HD22 ASN 19 7.206 -5.475 4.772
162 H VAL 20 H VAL 20 8.002 -2.228 -0.497
163 HA VAL 20 HA VAL 20 10.514 -3.744 -0.708
164 HB VAL 20 HB VAL 20 8.693 -2.377 -2.720
165 HG11 VAL 20 HG11 VAL 20 9.855 -3.745 -4.407
166 HG12 VAL 20 HG12 VAL 20 10.944 -4.363 -3.165
167 HG13 VAL 20 HG13 VAL 20 10.986 -2.655 -3.605
168 HG21 VAL 20 HG21 VAL 20 7.380 -4.139 -2.114
169 HG22 VAL 20 HG22 VAL 20 8.717 -4.995 -1.348
170 HG23 VAL 20 HG23 VAL 20 8.495 -5.086 -3.095
171 H THR 21 H THR 21 9.470 -0.350 -1.148
172 HA THR 21 HA THR 21 12.078 0.519 -2.145
173 HB THR 21 HB THR 21 9.682 2.041 -1.074
174 HG1 THR 21 HG1 THR 21 8.898 1.241 -2.856
175 HG21 THR 21 HG21 THR 21 12.095 2.923 -2.677
176 HG22 THR 21 HG22 THR 21 11.629 3.474 -1.068
177 HG23 THR 21 HG23 THR 21 10.645 3.903 -2.467
178 H LEU 22 H LEU 22 10.357 0.752 0.967
179 HA LEU 22 HA LEU 22 12.648 2.092 2.251
180 HB2 LEU 22 HB2 LEU 22 10.042 1.019 3.378
181 HB3 LEU 22 HB3 LEU 22 11.142 2.124 4.196
182 HG LEU 22 HG LEU 22 10.043 2.861 1.495
183 HD11 LEU 22 HD11 LEU 22 8.017 3.634 2.355
184 HD12 LEU 22 HD12 LEU 22 8.619 3.678 4.011
185 HD13 LEU 22 HD13 LEU 22 8.225 2.134 3.256
186 HD21 LEU 22 HD21 LEU 22 11.833 4.219 2.525
187 HD22 LEU 22 HD22 LEU 22 10.837 4.443 3.963
188 HD23 LEU 22 HD23 LEU 22 10.328 5.134 2.423
189 H ARG 23 H ARG 23 11.297 -1.141 2.018
190 HA ARG 23 HA ARG 23 12.040 -3.218 2.846
191 HB2 ARG 23 HB2 ARG 23 14.116 -1.918 1.736
192 HB3 ARG 23 HB3 ARG 23 14.725 -2.021 3.388
193 HG2 ARG 23 HG2 ARG 23 14.078 -4.518 3.277
194 HG3 ARG 23 HG3 ARG 23 13.959 -4.277 1.533
195 HD2 ARG 23 HD2 ARG 23 16.374 -3.124 1.971
196 HD3 ARG 23 HD3 ARG 23 16.376 -4.337 3.267
197 HE ARG 23 HE ARG 23 16.261 -4.911 0.367
198 HH11 ARG 23 HH11 ARG 23 14.233 -6.647 1.673
199 HH12 ARG 23 HH12 ARG 23 15.163 -8.032 2.140
200 HH21 ARG 23 HH21 ARG 23 18.222 -6.411 1.814
201 HH22 ARG 23 HH22 ARG 23 17.431 -7.896 2.223
202 HA PRO 24 HA PRO 24 11.785 -1.588 7.202
203 HB2 PRO 24 HB2 PRO 24 9.417 -2.804 7.839
204 HB3 PRO 24 HB3 PRO 24 9.510 -1.195 7.097
205 HG2 PRO 24 HG2 PRO 24 8.894 -3.822 5.852
206 HG3 PRO 24 HG3 PRO 24 8.218 -2.222 5.510
207 HD2 PRO 24 HD2 PRO 24 10.119 -3.447 3.965
208 HD3 PRO 24 HD3 PRO 24 9.891 -1.687 4.057
209 H GLU 25 H GLU 25 12.273 -2.835 9.072
210 HA GLU 25 HA GLU 25 13.015 -5.669 8.540
211 HB2 GLU 25 HB2 GLU 25 13.653 -3.664 10.730
212 HB3 GLU 25 HB3 GLU 25 14.255 -5.322 10.722
213 HG2 GLU 25 HG2 GLU 25 15.348 -4.921 8.545
214 HG3 GLU 25 HG3 GLU 25 14.747 -3.264 8.546
215 H ARG 26 H ARG 26 11.342 -3.769 11.095
216 HA ARG 26 HA ARG 26 9.593 -6.140 11.605
217 HB2 ARG 26 HB2 ARG 26 11.747 -5.453 13.169
218 HB3 ARG 26 HB3 ARG 26 10.439 -4.584 13.972
219 HG2 ARG 26 HG2 ARG 26 10.024 -7.448 13.170
220 HG3 ARG 26 HG3 ARG 26 10.943 -7.085 14.631
221 HD2 ARG 26 HD2 ARG 26 9.091 -6.344 15.767
222 HD3 ARG 26 HD3 ARG 26 8.382 -5.598 14.321
223 HE ARG 26 HE ARG 26 8.438 -8.576 14.664
224 HH11 ARG 26 HH11 ARG 26 7.382 -6.616 12.351
225 HH12 ARG 26 HH12 ARG 26 5.684 -6.903 12.533
226 HH21 ARG 26 HH21 ARG 26 6.016 -8.514 15.596
227 HH22 ARG 26 HH22 ARG 26 4.908 -7.979 14.377
Start of MODEL 13
1 HA ARG 1 HA ARG 1 -14.494 2.063 -5.593
2 HB2 ARG 1 HB2 ARG 1 -13.621 4.145 -4.547
3 HB3 ARG 1 HB3 ARG 1 -13.693 4.279 -6.303
4 HG2 ARG 1 HG2 ARG 1 -15.531 5.730 -6.249
5 HG3 ARG 1 HG3 ARG 1 -16.029 5.200 -4.643
6 HD2 ARG 1 HD2 ARG 1 -15.057 7.258 -4.120
7 HD3 ARG 1 HD3 ARG 1 -13.639 6.201 -3.966
8 HE ARG 1 HE ARG 1 -13.221 6.766 -6.445
9 HH11 ARG 1 HH11 ARG 1 -15.661 8.491 -6.762
10 HH12 ARG 1 HH12 ARG 1 -15.012 10.081 -6.550
11 HH21 ARG 1 HH21 ARG 1 -12.059 8.963 -5.094
12 HH22 ARG 1 HH22 ARG 1 -12.963 10.350 -5.601
13 H SER 2 H SER 2 -14.449 1.949 -3.191
14 HA SER 2 HA SER 2 -17.127 2.484 -1.940
15 HB2 SER 2 HB2 SER 2 -15.833 0.031 -2.530
16 HB3 SER 2 HB3 SER 2 -15.732 0.237 -0.783
17 HG SER 2 HG SER 2 -17.683 -0.741 -1.300
18 H ALA 3 H ALA 3 -16.904 2.372 0.556
19 HA ALA 3 HA ALA 3 -14.640 4.109 1.355
20 HB1 ALA 3 HB1 ALA 3 -16.023 4.447 3.348
21 HB2 ALA 3 HB2 ALA 3 -17.076 3.115 2.872
22 HB3 ALA 3 HB3 ALA 3 -17.029 4.593 1.908
23 H LEU 4 H LEU 4 -16.044 0.939 2.263
24 HA LEU 4 HA LEU 4 -13.670 0.415 4.000
25 HB2 LEU 4 HB2 LEU 4 -16.501 -0.136 4.064
26 HB3 LEU 4 HB3 LEU 4 -15.609 -1.656 4.143
27 HG LEU 4 HG LEU 4 -14.361 0.361 5.819
28 HD11 LEU 4 HD11 LEU 4 -17.259 -0.332 6.388
29 HD12 LEU 4 HD12 LEU 4 -16.636 1.271 5.996
30 HD13 LEU 4 HD13 LEU 4 -16.173 0.490 7.508
31 HD21 LEU 4 HD21 LEU 4 -15.755 -2.178 6.683
32 HD22 LEU 4 HD22 LEU 4 -14.327 -1.419 7.387
33 HD23 LEU 4 HD23 LEU 4 -14.217 -2.221 5.820
34 H VAL 5 H VAL 5 -14.117 0.085 0.844
35 HA VAL 5 HA VAL 5 -13.003 -2.703 0.728
36 HB VAL 5 HB VAL 5 -14.647 -1.197 -1.340
37 HG11 VAL 5 HG11 VAL 5 -14.836 -3.462 -2.377
38 HG12 VAL 5 HG12 VAL 5 -13.699 -4.073 -1.174
39 HG13 VAL 5 HG13 VAL 5 -13.177 -2.863 -2.347
40 HG21 VAL 5 HG21 VAL 5 -16.410 -2.905 -0.702
41 HG22 VAL 5 HG22 VAL 5 -16.076 -1.701 0.542
42 HG23 VAL 5 HG23 VAL 5 -15.404 -3.326 0.684
43 H ASN 6 H ASN 6 -13.041 0.462 -0.973
44 HA ASN 6 HA ASN 6 -10.719 -0.026 -2.593
45 HB2 ASN 6 HB2 ASN 6 -12.546 2.145 -1.891
46 HB3 ASN 6 HB3 ASN 6 -10.899 2.726 -2.135
47 HD21 ASN 6 HD21 ASN 6 -10.039 2.678 -4.283
48 HD22 ASN 6 HD22 ASN 6 -10.944 2.170 -5.626
49 H SER 7 H SER 7 -11.095 1.186 0.727
50 HA SER 7 HA SER 7 -8.558 2.348 1.175
51 HB2 SER 7 HB2 SER 7 -10.623 2.158 2.689
52 HB3 SER 7 HB3 SER 7 -10.047 0.547 3.106
53 HG SER 7 HG SER 7 -9.014 3.058 3.738
54 H TYR 8 H TYR 8 -9.530 -1.086 1.480
55 HA TYR 8 HA TYR 8 -6.874 -2.049 2.150
56 HB2 TYR 8 HB2 TYR 8 -8.752 -3.356 2.811
57 HB3 TYR 8 HB3 TYR 8 -9.486 -3.256 1.211
58 HD1 TYR 8 HD1 TYR 8 -6.345 -4.477 2.866
59 HD2 TYR 8 HD2 TYR 8 -9.242 -5.055 -0.251
60 HE1 TYR 8 HE1 TYR 8 -5.213 -6.581 2.204
61 HE2 TYR 8 HE2 TYR 8 -8.113 -7.160 -0.910
62 HH TYR 8 HH TYR 8 -6.328 -8.891 0.761
63 H LEU 9 H LEU 9 -8.772 -1.814 -0.867
64 HA LEU 9 HA LEU 9 -6.958 -3.187 -2.596
65 HB2 LEU 9 HB2 LEU 9 -9.252 -1.325 -2.763
66 HB3 LEU 9 HB3 LEU 9 -8.184 -1.289 -4.163
67 HG LEU 9 HG LEU 9 -9.988 -2.960 -4.447
68 HD11 LEU 9 HD11 LEU 9 -7.430 -4.489 -3.996
69 HD12 LEU 9 HD12 LEU 9 -7.540 -3.274 -5.269
70 HD13 LEU 9 HD13 LEU 9 -8.613 -4.673 -5.291
71 HD21 LEU 9 HD21 LEU 9 -10.068 -4.936 -3.002
72 HD22 LEU 9 HD22 LEU 9 -10.261 -3.481 -2.026
73 HD23 LEU 9 HD23 LEU 9 -8.713 -4.323 -2.055
74 H TRP 10 H TRP 10 -7.275 0.311 -1.871
75 HA TRP 10 HA TRP 10 -5.020 1.147 -3.459
76 HB2 TRP 10 HB2 TRP 10 -6.567 2.820 -2.876
77 HB3 TRP 10 HB3 TRP 10 -6.689 2.261 -1.209
78 HD1 TRP 10 HD1 TRP 10 -4.118 3.960 -3.546
79 HE1 TRP 10 HE1 TRP 10 -2.607 5.477 -2.109
80 HE3 TRP 10 HE3 TRP 10 -5.936 2.867 1.099
81 HZ2 TRP 10 HZ2 TRP 10 -2.225 6.140 0.645
82 HZ3 TRP 10 HZ3 TRP 10 -4.980 3.953 3.110
83 HH2 TRP 10 HH2 TRP 10 -3.128 5.587 2.890
84 H GLN 11 H GLN 11 -5.377 0.207 -0.030
85 HA GLN 11 HA GLN 11 -2.742 0.856 0.858
86 HB2 GLN 11 HB2 GLN 11 -5.003 -0.904 1.677
87 HB3 GLN 11 HB3 GLN 11 -3.432 -1.280 2.382
88 HG2 GLN 11 HG2 GLN 11 -4.278 1.584 2.348
89 HG3 GLN 11 HG3 GLN 11 -5.070 0.511 3.502
90 HE21 GLN 11 HE21 GLN 11 -3.660 -0.607 5.104
91 HE22 GLN 11 HE22 GLN 11 -2.132 0.031 5.477
92 H ARG 12 H ARG 12 -4.045 -2.162 -0.573
93 HA ARG 12 HA ARG 12 -1.737 -3.798 -0.362
94 HB2 ARG 12 HB2 ARG 12 -4.133 -3.583 -2.145
95 HB3 ARG 12 HB3 ARG 12 -2.846 -4.690 -2.625
96 HG2 ARG 12 HG2 ARG 12 -3.839 -4.748 0.209
97 HG3 ARG 12 HG3 ARG 12 -4.793 -5.533 -1.050
98 HD2 ARG 12 HD2 ARG 12 -2.038 -6.262 -1.437
99 HD3 ARG 12 HD3 ARG 12 -2.475 -6.563 0.258
100 HE ARG 12 HE ARG 12 -4.469 -7.835 -0.616
101 HH11 ARG 12 HH11 ARG 12 -4.332 -6.989 -3.471
102 HH12 ARG 12 HH12 ARG 12 -3.559 -8.341 -4.226
103 HH21 ARG 12 HH21 ARG 12 -2.374 -9.664 -1.238
104 HH22 ARG 12 HH22 ARG 12 -2.446 -9.864 -2.956
105 H TRP 13 H TRP 13 -2.382 -1.103 -2.526
106 HA TRP 13 HA TRP 13 -0.326 -1.783 -4.484
107 HB2 TRP 13 HB2 TRP 13 -2.524 -0.116 -4.311
108 HB3 TRP 13 HB3 TRP 13 -1.187 1.024 -4.192
109 HD1 TRP 13 HD1 TRP 13 -3.071 0.916 -6.710
110 HE1 TRP 13 HE1 TRP 13 -2.078 0.411 -9.037
111 HE3 TRP 13 HE3 TRP 13 1.269 -1.397 -5.337
112 HZ2 TRP 13 HZ2 TRP 13 0.249 -0.810 -10.163
113 HZ3 TRP 13 HZ3 TRP 13 2.852 -2.219 -7.054
114 HH2 TRP 13 HH2 TRP 13 2.351 -1.928 -9.463
115 H GLU 14 H GLU 14 -0.596 0.928 -2.157
116 HA GLU 14 HA GLU 14 2.199 1.640 -2.348
117 HB2 GLU 14 HB2 GLU 14 -0.011 2.308 -0.383
118 HB3 GLU 14 HB3 GLU 14 1.545 3.135 -0.443
119 HG2 GLU 14 HG2 GLU 14 0.851 3.282 -3.058
120 HG3 GLU 14 HG3 GLU 14 -0.752 3.291 -2.322
121 H ASN 15 H ASN 15 0.390 -0.518 -0.187
122 HA ASN 15 HA ASN 15 2.173 -0.727 1.997
123 HB2 ASN 15 HB2 ASN 15 0.082 -1.863 2.085
124 HB3 ASN 15 HB3 ASN 15 0.373 -2.687 0.555
125 HD21 ASN 15 HD21 ASN 15 2.579 -2.395 3.403
126 HD22 ASN 15 HD22 ASN 15 2.706 -4.068 3.654
127 H TRP 16 H TRP 16 2.198 -2.652 -1.042
128 HA TRP 16 HA TRP 16 4.663 -4.034 -0.477
129 HB2 TRP 16 HB2 TRP 16 3.331 -5.006 -2.147
130 HB3 TRP 16 HB3 TRP 16 2.941 -3.450 -2.878
131 HD1 TRP 16 HD1 TRP 16 5.808 -5.995 -2.624
132 HE1 TRP 16 HE1 TRP 16 7.407 -5.633 -4.612
133 HE3 TRP 16 HE3 TRP 16 3.738 -1.795 -4.666
134 HZ2 TRP 16 HZ2 TRP 16 7.764 -3.803 -6.777
135 HZ3 TRP 16 HZ3 TRP 16 4.732 -0.763 -6.689
136 HH2 TRP 16 HH2 TRP 16 6.739 -1.762 -7.747
137 H PHE 17 H PHE 17 3.906 -1.067 -2.322
138 HA PHE 17 HA PHE 17 6.483 -0.446 -3.306
139 HB2 PHE 17 HB2 PHE 17 4.264 0.649 -3.816
140 HB3 PHE 17 HB3 PHE 17 4.368 1.467 -2.257
141 HD1 PHE 17 HD1 PHE 17 6.432 0.879 -5.341
142 HD2 PHE 17 HD2 PHE 17 5.370 3.571 -2.164
143 HE1 PHE 17 HE2 PHE 17 7.854 2.639 -6.356
144 HE2 PHE 17 HE1 PHE 17 6.792 5.330 -3.181
145 HZ PHE 17 HZ PHE 17 8.033 4.864 -5.277
146 H TRP 18 H TRP 18 4.970 0.892 -0.327
147 HA TRP 18 HA TRP 18 7.344 2.097 0.706
148 HB2 TRP 18 HB2 TRP 18 4.881 0.987 2.090
149 HB3 TRP 18 HB3 TRP 18 6.041 2.080 2.840
150 HD1 TRP 18 HD1 TRP 18 2.818 2.488 1.823
151 HE1 TRP 18 HE1 TRP 18 2.321 4.696 0.587
152 HE3 TRP 18 HE3 TRP 18 7.560 3.839 0.485
153 HZ2 TRP 18 HZ2 TRP 18 3.746 6.756 -0.785
154 HZ3 TRP 18 HZ3 TRP 18 7.959 5.928 -0.784
155 HH2 TRP 18 HH2 TRP 18 6.059 7.388 -1.420
156 H ASN 19 H ASN 19 6.088 -1.221 0.993
157 HA ASN 19 HA ASN 19 7.723 -2.185 3.107
158 HB2 ASN 19 HB2 ASN 19 5.965 -3.190 1.105
159 HB3 ASN 19 HB3 ASN 19 7.443 -4.142 1.005
160 HD21 ASN 19 HD21 ASN 19 8.304 -4.723 3.415
161 HD22 ASN 19 HD22 ASN 19 7.100 -5.309 4.458
162 H VAL 20 H VAL 20 8.451 -1.861 -0.383
163 HA VAL 20 HA VAL 20 11.220 -2.844 0.090
164 HB VAL 20 HB VAL 20 11.334 -2.752 -2.408
165 HG11 VAL 20 HG11 VAL 20 9.752 -4.575 -2.805
166 HG12 VAL 20 HG12 VAL 20 8.862 -4.149 -1.344
167 HG13 VAL 20 HG13 VAL 20 10.507 -4.773 -1.223
168 HG21 VAL 20 HG21 VAL 20 9.660 -0.825 -2.572
169 HG22 VAL 20 HG22 VAL 20 8.396 -2.025 -2.310
170 HG23 VAL 20 HG23 VAL 20 9.435 -2.137 -3.728
171 H THR 21 H THR 21 9.471 0.143 -0.645
172 HA THR 21 HA THR 21 11.761 1.722 -1.421
173 HB THR 21 HB THR 21 9.090 2.486 -0.189
174 HG1 THR 21 HG1 THR 21 9.950 2.272 -2.886
175 HG21 THR 21 HG21 THR 21 11.072 4.130 -1.788
176 HG22 THR 21 HG22 THR 21 10.743 4.308 -0.065
177 HG23 THR 21 HG23 THR 21 9.488 4.680 -1.246
178 H LEU 22 H LEU 22 10.103 1.197 1.688
179 HA LEU 22 HA LEU 22 11.930 2.955 3.156
180 HB2 LEU 22 HB2 LEU 22 9.774 0.979 3.956
181 HB3 LEU 22 HB3 LEU 22 10.629 2.002 5.109
182 HG LEU 22 HG LEU 22 9.129 3.097 2.712
183 HD11 LEU 22 HD11 LEU 22 7.363 3.705 4.349
184 HD12 LEU 22 HD12 LEU 22 8.227 2.806 5.596
185 HD13 LEU 22 HD13 LEU 22 7.550 1.957 4.205
186 HD21 LEU 22 HD21 LEU 22 10.509 4.257 5.127
187 HD22 LEU 22 HD22 LEU 22 9.196 5.139 4.348
188 HD23 LEU 22 HD23 LEU 22 10.649 4.737 3.435
189 H ARG 23 H ARG 23 11.178 -0.492 3.723
190 HA ARG 23 HA ARG 23 14.051 -1.187 3.714
191 HB2 ARG 23 HB2 ARG 23 12.946 -0.210 6.017
192 HB3 ARG 23 HB3 ARG 23 12.635 -1.935 6.213
193 HG2 ARG 23 HG2 ARG 23 14.759 -2.001 7.023
194 HG3 ARG 23 HG3 ARG 23 15.224 -1.964 5.323
195 HD2 ARG 23 HD2 ARG 23 14.707 0.736 6.160
196 HD3 ARG 23 HD3 ARG 23 15.814 -0.015 7.325
197 HE ARG 23 HE ARG 23 16.884 -0.857 4.964
198 HH11 ARG 23 HH11 ARG 23 15.328 1.623 3.901
199 HH12 ARG 23 HH12 ARG 23 16.610 2.789 3.864
200 HH21 ARG 23 HH21 ARG 23 18.744 0.896 5.852
201 HH22 ARG 23 HH22 ARG 23 18.553 2.375 4.972
202 HA PRO 24 HA PRO 24 11.424 -4.622 2.259
203 HB2 PRO 24 HB2 PRO 24 13.300 -5.641 0.544
204 HB3 PRO 24 HB3 PRO 24 12.216 -4.304 0.112
205 HG2 PRO 24 HG2 PRO 24 15.068 -4.233 0.953
206 HG3 PRO 24 HG3 PRO 24 14.220 -3.250 -0.251
207 HD2 PRO 24 HD2 PRO 24 14.840 -2.372 2.260
208 HD3 PRO 24 HD3 PRO 24 13.477 -1.753 1.305
209 H GLU 25 H GLU 25 11.334 -6.458 3.486
210 HA GLU 25 HA GLU 25 13.769 -7.392 4.912
211 HB2 GLU 25 HB2 GLU 25 11.378 -6.931 5.866
212 HB3 GLU 25 HB3 GLU 25 10.970 -8.495 5.161
213 HG2 GLU 25 HG2 GLU 25 13.374 -8.167 6.957
214 HG3 GLU 25 HG3 GLU 25 11.769 -8.473 7.620
215 H ARG 26 H ARG 26 11.069 -8.972 3.129
216 HA ARG 26 HA ARG 26 13.062 -10.897 1.987
217 HB2 ARG 26 HB2 ARG 26 11.228 -11.417 4.004
218 HB3 ARG 26 HB3 ARG 26 10.388 -11.972 2.558
219 HG2 ARG 26 HG2 ARG 26 11.597 -13.878 3.100
220 HG3 ARG 26 HG3 ARG 26 12.729 -13.079 2.008
221 HD2 ARG 26 HD2 ARG 26 13.814 -12.011 4.026
222 HD3 ARG 26 HD3 ARG 26 12.782 -13.032 5.046
223 HE ARG 26 HE ARG 26 15.007 -13.975 3.360
224 HH11 ARG 26 HH11 ARG 26 14.187 -14.833 6.209
225 HH12 ARG 26 HH12 ARG 26 13.645 -16.449 5.911
226 HH21 ARG 26 HH21 ARG 26 13.415 -16.015 2.467
227 HH22 ARG 26 HH22 ARG 26 13.208 -17.124 3.782
Start of MODEL 14
1 HA ARG 1 HA ARG 1 -18.757 0.643 -6.125
2 HB2 ARG 1 HB2 ARG 1 -20.087 -1.846 -7.137
3 HB3 ARG 1 HB3 ARG 1 -20.807 -1.032 -5.749
4 HG2 ARG 1 HG2 ARG 1 -21.629 0.618 -7.046
5 HG3 ARG 1 HG3 ARG 1 -20.057 0.886 -7.801
6 HD2 ARG 1 HD2 ARG 1 -21.438 0.198 -9.609
7 HD3 ARG 1 HD3 ARG 1 -20.595 -1.294 -9.149
8 HE ARG 1 HE ARG 1 -23.278 -0.642 -7.991
9 HH11 ARG 1 HH11 ARG 1 -22.054 -3.129 -7.051
10 HH12 ARG 1 HH12 ARG 1 -22.664 -4.321 -8.149
11 HH21 ARG 1 HH21 ARG 1 -23.649 -1.994 -10.538
12 HH22 ARG 1 HH22 ARG 1 -23.570 -3.676 -10.131
13 H SER 2 H SER 2 -16.856 0.183 -4.610
14 HA SER 2 HA SER 2 -17.776 -1.577 -2.378
15 HB2 SER 2 HB2 SER 2 -15.401 -1.848 -4.116
16 HB3 SER 2 HB3 SER 2 -15.065 -1.971 -2.393
17 HG SER 2 HG SER 2 -15.643 -3.989 -3.359
18 H ALA 3 H ALA 3 -17.212 -0.762 -0.335
19 HA ALA 3 HA ALA 3 -15.992 1.967 -0.311
20 HB1 ALA 3 HB1 ALA 3 -17.671 0.449 1.712
21 HB2 ALA 3 HB2 ALA 3 -18.281 1.645 0.568
22 HB3 ALA 3 HB3 ALA 3 -17.178 2.136 1.855
23 H LEU 4 H LEU 4 -15.860 -1.163 1.441
24 HA LEU 4 HA LEU 4 -13.449 -0.308 2.922
25 HB2 LEU 4 HB2 LEU 4 -15.430 -2.537 2.956
26 HB3 LEU 4 HB3 LEU 4 -13.830 -2.881 3.612
27 HG LEU 4 HG LEU 4 -15.155 -0.336 4.449
28 HD11 LEU 4 HD11 LEU 4 -16.948 -2.029 4.647
29 HD12 LEU 4 HD12 LEU 4 -16.381 -1.509 6.234
30 HD13 LEU 4 HD13 LEU 4 -15.862 -3.063 5.578
31 HD21 LEU 4 HD21 LEU 4 -13.926 -0.768 6.494
32 HD22 LEU 4 HD22 LEU 4 -12.833 -1.043 5.138
33 HD23 LEU 4 HD23 LEU 4 -13.559 -2.413 5.979
34 H VAL 5 H VAL 5 -14.328 -2.591 0.355
35 HA VAL 5 HA VAL 5 -11.873 -4.009 0.121
36 HB VAL 5 HB VAL 5 -13.939 -3.168 -1.939
37 HG11 VAL 5 HG11 VAL 5 -11.600 -5.062 -2.084
38 HG12 VAL 5 HG12 VAL 5 -12.091 -3.828 -3.243
39 HG13 VAL 5 HG13 VAL 5 -13.028 -5.313 -3.087
40 HG21 VAL 5 HG21 VAL 5 -14.801 -5.466 -1.570
41 HG22 VAL 5 HG22 VAL 5 -14.835 -4.517 -0.084
42 HG23 VAL 5 HG23 VAL 5 -13.568 -5.718 -0.335
43 H ASN 6 H ASN 6 -12.898 -0.920 -1.365
44 HA ASN 6 HA ASN 6 -10.580 -0.494 -2.994
45 HB2 ASN 6 HB2 ASN 6 -12.915 0.981 -1.987
46 HB3 ASN 6 HB3 ASN 6 -11.505 2.012 -2.233
47 HD21 ASN 6 HD21 ASN 6 -14.117 0.521 -3.851
48 HD22 ASN 6 HD22 ASN 6 -13.550 0.714 -5.439
49 H SER 7 H SER 7 -11.267 0.316 0.419
50 HA SER 7 HA SER 7 -8.986 1.944 0.950
51 HB2 SER 7 HB2 SER 7 -10.465 -0.051 2.702
52 HB3 SER 7 HB3 SER 7 -9.409 1.225 3.298
53 HG SER 7 HG SER 7 -10.925 2.648 2.916
54 H TYR 8 H TYR 8 -9.421 -1.596 1.333
55 HA TYR 8 HA TYR 8 -6.704 -2.164 2.094
56 HB2 TYR 8 HB2 TYR 8 -8.354 -3.797 2.567
57 HB3 TYR 8 HB3 TYR 8 -9.038 -3.701 0.946
58 HD1 TYR 8 HD1 TYR 8 -5.812 -4.561 2.665
59 HD2 TYR 8 HD2 TYR 8 -8.478 -5.345 -0.610
60 HE1 TYR 8 HE2 TYR 8 -4.359 -6.430 1.929
61 HE2 TYR 8 HE1 TYR 8 -7.025 -7.214 -1.346
62 HH TYR 8 HH TYR 8 -4.287 -7.678 -0.930
63 H LEU 9 H LEU 9 -8.399 -2.286 -1.063
64 HA LEU 9 HA LEU 9 -6.230 -3.181 -2.675
65 HB2 LEU 9 HB2 LEU 9 -8.854 -1.901 -2.960
66 HB3 LEU 9 HB3 LEU 9 -7.735 -1.415 -4.230
67 HG LEU 9 HG LEU 9 -9.033 -3.452 -4.837
68 HD11 LEU 9 HD11 LEU 9 -7.174 -4.680 -5.706
69 HD12 LEU 9 HD12 LEU 9 -6.120 -4.141 -4.399
70 HD13 LEU 9 HD13 LEU 9 -6.655 -2.996 -5.630
71 HD21 LEU 9 HD21 LEU 9 -8.984 -4.235 -2.343
72 HD22 LEU 9 HD22 LEU 9 -7.431 -4.951 -2.772
73 HD23 LEU 9 HD23 LEU 9 -8.896 -5.454 -3.614
74 H TRP 10 H TRP 10 -7.215 0.135 -1.767
75 HA TRP 10 HA TRP 10 -5.135 1.496 -3.235
76 HB2 TRP 10 HB2 TRP 10 -7.115 2.671 -2.550
77 HB3 TRP 10 HB3 TRP 10 -6.916 2.165 -0.874
78 HD1 TRP 10 HD1 TRP 10 -4.695 4.056 -3.436
79 HE1 TRP 10 HE1 TRP 10 -3.621 6.063 -2.226
80 HE3 TRP 10 HE3 TRP 10 -6.669 3.427 1.232
81 HZ2 TRP 10 HZ2 TRP 10 -3.606 7.248 0.378
82 HZ3 TRP 10 HZ3 TRP 10 -6.108 5.009 3.056
83 HH2 TRP 10 HH2 TRP 10 -4.582 6.916 2.636
84 H GLN 11 H GLN 11 -5.418 0.383 0.156
85 HA GLN 11 HA GLN 11 -2.896 1.411 1.072
86 HB2 GLN 11 HB2 GLN 11 -4.755 -0.823 1.921
87 HB3 GLN 11 HB3 GLN 11 -3.283 -0.455 2.820
88 HG2 GLN 11 HG2 GLN 11 -5.302 1.691 2.157
89 HG3 GLN 11 HG3 GLN 11 -5.454 0.696 3.604
90 HE21 GLN 11 HE21 GLN 11 -3.455 3.178 2.038
91 HE22 GLN 11 HE22 GLN 11 -2.544 3.558 3.418
92 H ARG 12 H ARG 12 -3.813 -1.889 -0.033
93 HA ARG 12 HA ARG 12 -1.295 -3.148 0.150
94 HB2 ARG 12 HB2 ARG 12 -3.688 -3.967 -0.526
95 HB3 ARG 12 HB3 ARG 12 -3.183 -3.567 -2.167
96 HG2 ARG 12 HG2 ARG 12 -1.407 -5.254 -0.419
97 HG3 ARG 12 HG3 ARG 12 -2.768 -5.990 -1.266
98 HD2 ARG 12 HD2 ARG 12 -1.799 -4.726 -3.365
99 HD3 ARG 12 HD3 ARG 12 -0.299 -4.712 -2.418
100 HE ARG 12 HE ARG 12 -1.489 -7.331 -2.320
101 HH11 ARG 12 HH11 ARG 12 -1.665 -6.776 -5.248
102 HH12 ARG 12 HH12 ARG 12 -0.114 -7.293 -5.818
103 HH21 ARG 12 HH21 ARG 12 1.336 -7.301 -2.660
104 HH22 ARG 12 HH22 ARG 12 1.592 -7.593 -4.348
105 H TRP 13 H TRP 13 -2.549 -0.985 -2.371
106 HA TRP 13 HA TRP 13 -0.544 -1.360 -4.364
107 HB2 TRP 13 HB2 TRP 13 -2.796 0.266 -3.834
108 HB3 TRP 13 HB3 TRP 13 -1.465 1.383 -4.122
109 HD1 TRP 13 HD1 TRP 13 -3.966 0.763 -6.100
110 HE1 TRP 13 HE1 TRP 13 -3.437 0.095 -8.536
111 HE3 TRP 13 HE3 TRP 13 0.865 -0.781 -5.552
112 HZ2 TRP 13 HZ2 TRP 13 -1.244 -0.952 -10.050
113 HZ3 TRP 13 HZ3 TRP 13 2.152 -1.605 -7.502
114 HH2 TRP 13 HH2 TRP 13 1.106 -1.692 -9.748
115 H GLU 14 H GLU 14 -0.776 1.214 -1.890
116 HA GLU 14 HA GLU 14 1.931 2.175 -2.405
117 HB2 GLU 14 HB2 GLU 14 -0.116 2.746 -0.238
118 HB3 GLU 14 HB3 GLU 14 1.329 3.713 -0.546
119 HG2 GLU 14 HG2 GLU 14 0.383 3.771 -3.018
120 HG3 GLU 14 HG3 GLU 14 -1.148 3.421 -2.217
121 H ASN 15 H ASN 15 0.374 0.337 0.259
122 HA ASN 15 HA ASN 15 2.567 0.215 2.047
123 HB2 ASN 15 HB2 ASN 15 0.021 -0.757 1.941
124 HB3 ASN 15 HB3 ASN 15 0.941 -2.244 1.711
125 HD21 ASN 15 HD21 ASN 15 2.996 -2.269 3.365
126 HD22 ASN 15 HD22 ASN 15 2.586 -1.884 4.966
127 H TRP 16 H TRP 16 1.861 -1.812 -0.813
128 HA TRP 16 HA TRP 16 3.968 -3.726 -0.430
129 HB2 TRP 16 HB2 TRP 16 2.313 -4.289 -2.012
130 HB3 TRP 16 HB3 TRP 16 2.337 -2.685 -2.744
131 HD1 TRP 16 HD1 TRP 16 4.575 -5.819 -2.456
132 HE1 TRP 16 HE1 TRP 16 6.065 -5.944 -4.554
133 HE3 TRP 16 HE3 TRP 16 3.243 -1.451 -4.742
134 HZ2 TRP 16 HZ2 TRP 16 6.621 -4.396 -6.890
135 HZ3 TRP 16 HZ3 TRP 16 4.271 -0.801 -6.902
136 HH2 TRP 16 HH2 TRP 16 5.956 -2.267 -7.978
137 H PHE 17 H PHE 17 3.848 -0.707 -2.370
138 HA PHE 17 HA PHE 17 6.500 -0.730 -3.368
139 HB2 PHE 17 HB2 PHE 17 4.899 0.836 -4.204
140 HB3 PHE 17 HB3 PHE 17 4.539 1.445 -2.590
141 HD1 PHE 17 HD1 PHE 17 7.325 1.164 -5.078
142 HD2 PHE 17 HD2 PHE 17 5.673 3.328 -1.755
143 HE1 PHE 17 HE1 PHE 17 9.075 2.903 -5.338
144 HE2 PHE 17 HE2 PHE 17 7.421 5.066 -2.017
145 HZ PHE 17 HZ PHE 17 9.122 4.853 -3.806
146 H TRP 18 H TRP 18 5.256 0.832 -0.386
147 HA TRP 18 HA TRP 18 7.789 1.747 0.585
148 HB2 TRP 18 HB2 TRP 18 5.129 1.069 1.859
149 HB3 TRP 18 HB3 TRP 18 6.458 1.766 2.782
150 HD1 TRP 18 HD1 TRP 18 3.489 2.893 1.203
151 HE1 TRP 18 HE1 TRP 18 3.659 5.326 0.368
152 HE3 TRP 18 HE3 TRP 18 8.557 3.522 1.326
153 HZ2 TRP 18 HZ2 TRP 18 5.675 7.280 -0.175
154 HZ3 TRP 18 HZ3 TRP 18 9.574 5.675 0.644
155 HH2 TRP 18 HH2 TRP 18 8.141 7.554 -0.105
156 H ASN 19 H ASN 19 6.130 -1.376 0.909
157 HA ASN 19 HA ASN 19 7.727 -2.478 3.024
158 HB2 ASN 19 HB2 ASN 19 5.834 -3.378 0.937
159 HB3 ASN 19 HB3 ASN 19 6.975 -4.614 1.462
160 HD21 ASN 19 HD21 ASN 19 5.362 -5.831 2.667
161 HD22 ASN 19 HD22 ASN 19 4.676 -5.230 4.098
162 H VAL 20 H VAL 20 8.142 -2.544 -0.536
163 HA VAL 20 HA VAL 20 10.694 -4.026 -0.264
164 HB VAL 20 HB VAL 20 10.614 -3.963 -2.755
165 HG11 VAL 20 HG11 VAL 20 9.342 -5.662 -1.346
166 HG12 VAL 20 HG12 VAL 20 8.748 -5.439 -2.991
167 HG13 VAL 20 HG13 VAL 20 7.898 -4.693 -1.639
168 HG21 VAL 20 HG21 VAL 20 7.907 -2.657 -2.562
169 HG22 VAL 20 HG22 VAL 20 8.971 -2.802 -3.959
170 HG23 VAL 20 HG23 VAL 20 9.358 -1.660 -2.672
171 H THR 21 H THR 21 9.677 -0.726 -0.383
172 HA THR 21 HA THR 21 12.251 0.250 -1.480
173 HB THR 21 HB THR 21 9.719 1.613 -0.508
174 HG1 THR 21 HG1 THR 21 9.182 0.794 -2.392
175 HG21 THR 21 HG21 THR 21 10.673 3.611 -1.702
176 HG22 THR 21 HG22 THR 21 12.196 2.735 -1.843
177 HG23 THR 21 HG23 THR 21 11.565 3.156 -0.250
178 H LEU 22 H LEU 22 10.488 0.141 1.598
179 HA LEU 22 HA LEU 22 12.640 1.638 2.979
180 HB2 LEU 22 HB2 LEU 22 10.015 0.431 3.911
181 HB3 LEU 22 HB3 LEU 22 11.061 1.445 4.901
182 HG LEU 22 HG LEU 22 10.033 2.397 2.226
183 HD11 LEU 22 HD11 LEU 22 8.145 1.697 3.780
184 HD12 LEU 22 HD12 LEU 22 8.134 3.393 3.302
185 HD13 LEU 22 HD13 LEU 22 8.717 2.931 4.900
186 HD21 LEU 22 HD21 LEU 22 10.503 4.591 3.170
187 HD22 LEU 22 HD22 LEU 22 11.931 3.577 3.372
188 HD23 LEU 22 HD23 LEU 22 10.863 3.877 4.743
189 H ARG 23 H ARG 23 10.954 -1.121 4.400
190 HA ARG 23 HA ARG 23 13.209 -2.957 4.182
191 HB2 ARG 23 HB2 ARG 23 13.860 -1.119 5.858
192 HB3 ARG 23 HB3 ARG 23 12.612 -1.787 6.911
193 HG2 ARG 23 HG2 ARG 23 13.799 -4.066 6.503
194 HG3 ARG 23 HG3 ARG 23 15.159 -3.085 5.956
195 HD2 ARG 23 HD2 ARG 23 15.360 -2.004 8.094
196 HD3 ARG 23 HD3 ARG 23 13.808 -2.666 8.643
197 HE ARG 23 HE ARG 23 14.898 -4.959 8.399
198 HH11 ARG 23 HH11 ARG 23 17.448 -3.830 7.173
199 HH12 ARG 23 HH12 ARG 23 18.523 -3.866 8.530
200 HH21 ARG 23 HH21 ARG 23 15.977 -4.259 10.865
201 HH22 ARG 23 HH22 ARG 23 17.686 -4.110 10.630
202 HA PRO 24 HA PRO 24 9.443 -5.312 4.922
203 HB2 PRO 24 HB2 PRO 24 10.539 -7.743 4.285
204 HB3 PRO 24 HB3 PRO 24 9.989 -6.578 3.065
205 HG2 PRO 24 HG2 PRO 24 12.750 -7.120 4.053
206 HG3 PRO 24 HG3 PRO 24 12.184 -6.812 2.403
207 HD2 PRO 24 HD2 PRO 24 13.391 -4.913 3.911
208 HD3 PRO 24 HD3 PRO 24 12.151 -4.532 2.696
209 H GLU 25 H GLU 25 8.766 -6.467 6.738
210 HA GLU 25 HA GLU 25 10.783 -6.906 8.881
211 HB2 GLU 25 HB2 GLU 25 7.778 -6.649 8.709
212 HB3 GLU 25 HB3 GLU 25 8.556 -7.227 10.183
213 HG2 GLU 25 HG2 GLU 25 10.003 -5.149 10.122
214 HG3 GLU 25 HG3 GLU 25 8.975 -4.556 8.818
215 H ARG 26 H ARG 26 7.956 -8.667 7.525
216 HA ARG 26 HA ARG 26 9.457 -11.226 7.919
217 HB2 ARG 26 HB2 ARG 26 7.359 -10.250 9.513
218 HB3 ARG 26 HB3 ARG 26 6.599 -11.441 8.457
219 HG2 ARG 26 HG2 ARG 26 8.026 -13.180 9.196
220 HG3 ARG 26 HG3 ARG 26 9.178 -12.048 9.904
221 HD2 ARG 26 HD2 ARG 26 6.425 -11.859 10.996
222 HD3 ARG 26 HD3 ARG 26 7.291 -13.361 11.374
223 HE ARG 26 HE ARG 26 8.886 -10.912 11.721
224 HH11 ARG 26 HH11 ARG 26 9.445 -13.418 13.223
225 HH12 ARG 26 HH12 ARG 26 8.805 -13.068 14.795
226 HH21 ARG 26 HH21 ARG 26 6.899 -10.372 13.702
227 HH22 ARG 26 HH22 ARG 26 7.356 -11.336 15.066
Start of MODEL 15
1 HA ARG 1 HA ARG 1 -21.302 0.534 -2.855
2 HB2 ARG 1 HB2 ARG 1 -20.994 3.373 -1.949
3 HB3 ARG 1 HB3 ARG 1 -19.541 2.508 -2.449
4 HG2 ARG 1 HG2 ARG 1 -21.353 1.842 -4.433
5 HG3 ARG 1 HG3 ARG 1 -21.762 3.521 -4.079
6 HD2 ARG 1 HD2 ARG 1 -19.166 3.912 -4.186
7 HD3 ARG 1 HD3 ARG 1 -19.163 2.390 -5.099
8 HE ARG 1 HE ARG 1 -20.680 4.842 -5.891
9 HH11 ARG 1 HH11 ARG 1 -18.293 3.646 -7.403
10 HH12 ARG 1 HH12 ARG 1 -19.101 2.838 -8.704
11 HH21 ARG 1 HH21 ARG 1 -22.226 2.963 -7.187
12 HH22 ARG 1 HH22 ARG 1 -21.337 2.450 -8.581
13 H SER 2 H SER 2 -19.440 -0.591 -2.146
14 HA SER 2 HA SER 2 -19.249 -1.167 0.701
15 HB2 SER 2 HB2 SER 2 -18.310 -2.192 -1.838
16 HB3 SER 2 HB3 SER 2 -16.982 -2.136 -0.686
17 HG SER 2 HG SER 2 -19.447 -3.495 -0.531
18 H ALA 3 H ALA 3 -17.545 -0.588 2.123
19 HA ALA 3 HA ALA 3 -15.879 1.739 1.232
20 HB1 ALA 3 HB1 ALA 3 -17.445 2.214 3.023
21 HB2 ALA 3 HB2 ALA 3 -15.823 2.190 3.713
22 HB3 ALA 3 HB3 ALA 3 -16.897 0.807 3.933
23 H LEU 4 H LEU 4 -15.744 -1.363 3.008
24 HA LEU 4 HA LEU 4 -12.839 -1.142 3.433
25 HB2 LEU 4 HB2 LEU 4 -14.848 -2.302 4.791
26 HB3 LEU 4 HB3 LEU 4 -14.355 -3.684 3.812
27 HG LEU 4 HG LEU 4 -11.922 -2.842 4.601
28 HD11 LEU 4 HD11 LEU 4 -13.087 -0.988 5.929
29 HD12 LEU 4 HD12 LEU 4 -11.932 -1.974 6.824
30 HD13 LEU 4 HD13 LEU 4 -13.662 -2.261 7.007
31 HD21 LEU 4 HD21 LEU 4 -13.807 -4.530 6.280
32 HD22 LEU 4 HD22 LEU 4 -12.045 -4.572 6.354
33 HD23 LEU 4 HD23 LEU 4 -12.880 -5.108 4.895
34 H VAL 5 H VAL 5 -14.340 -1.590 0.622
35 HA VAL 5 HA VAL 5 -12.821 -4.005 -0.250
36 HB VAL 5 HB VAL 5 -15.009 -2.319 -1.516
37 HG11 VAL 5 HG11 VAL 5 -13.655 -4.857 -2.484
38 HG12 VAL 5 HG12 VAL 5 -13.604 -3.277 -3.267
39 HG13 VAL 5 HG13 VAL 5 -15.120 -4.175 -3.190
40 HG21 VAL 5 HG21 VAL 5 -15.823 -3.649 0.348
41 HG22 VAL 5 HG22 VAL 5 -14.969 -5.073 -0.243
42 HG23 VAL 5 HG23 VAL 5 -16.338 -4.427 -1.149
43 H ASN 6 H ASN 6 -13.206 -0.526 -0.975
44 HA ASN 6 HA ASN 6 -11.048 -0.633 -3.002
45 HB2 ASN 6 HB2 ASN 6 -13.145 1.271 -2.055
46 HB3 ASN 6 HB3 ASN 6 -11.703 1.973 -2.789
47 HD21 ASN 6 HD21 ASN 6 -11.044 0.468 -4.906
48 HD22 ASN 6 HD22 ASN 6 -12.345 0.229 -5.969
49 H SER 7 H SER 7 -11.621 0.705 0.257
50 HA SER 7 HA SER 7 -9.256 2.253 0.549
51 HB2 SER 7 HB2 SER 7 -11.384 1.939 2.024
52 HB3 SER 7 HB3 SER 7 -10.493 0.608 2.758
53 HG SER 7 HG SER 7 -10.084 2.507 3.892
54 H TYR 8 H TYR 8 -9.798 -1.159 1.564
55 HA TYR 8 HA TYR 8 -7.101 -1.637 2.407
56 HB2 TYR 8 HB2 TYR 8 -8.031 -3.624 3.001
57 HB3 TYR 8 HB3 TYR 8 -9.549 -2.927 2.452
58 HD1 TYR 8 HD1 TYR 8 -10.489 -3.523 0.250
59 HD2 TYR 8 HD2 TYR 8 -6.830 -5.265 1.672
60 HE1 TYR 8 HE1 TYR 8 -10.651 -5.284 -1.488
61 HE2 TYR 8 HE2 TYR 8 -6.992 -7.024 -0.065
62 HH TYR 8 HH TYR 8 -9.557 -7.899 -1.565
63 H LEU 9 H LEU 9 -8.642 -1.800 -0.769
64 HA LEU 9 HA LEU 9 -6.562 -3.249 -2.149
65 HB2 LEU 9 HB2 LEU 9 -9.098 -2.229 -2.659
66 HB3 LEU 9 HB3 LEU 9 -8.063 -1.233 -3.675
67 HG LEU 9 HG LEU 9 -7.178 -3.152 -4.811
68 HD11 LEU 9 HD11 LEU 9 -6.866 -5.045 -3.623
69 HD12 LEU 9 HD12 LEU 9 -8.592 -5.363 -3.799
70 HD13 LEU 9 HD13 LEU 9 -7.993 -4.510 -2.377
71 HD21 LEU 9 HD21 LEU 9 -9.319 -2.532 -5.689
72 HD22 LEU 9 HD22 LEU 9 -10.166 -3.324 -4.359
73 HD23 LEU 9 HD23 LEU 9 -9.328 -4.291 -5.573
74 H TRP 10 H TRP 10 -7.249 0.252 -1.792
75 HA TRP 10 HA TRP 10 -5.032 1.234 -3.301
76 HB2 TRP 10 HB2 TRP 10 -6.947 2.595 -2.586
77 HB3 TRP 10 HB3 TRP 10 -6.519 2.351 -0.896
78 HD1 TRP 10 HD1 TRP 10 -5.945 4.801 -0.274
79 HE1 TRP 10 HE1 TRP 10 -4.101 6.449 -0.998
80 HE3 TRP 10 HE3 TRP 10 -4.032 2.292 -4.294
81 HZ2 TRP 10 HZ2 TRP 10 -2.085 6.677 -3.009
82 HZ3 TRP 10 HZ3 TRP 10 -2.153 3.250 -5.593
83 HH2 TRP 10 HH2 TRP 10 -1.178 5.437 -4.957
84 H GLN 11 H GLN 11 -5.328 0.245 0.105
85 HA GLN 11 HA GLN 11 -2.778 1.125 1.036
86 HB2 GLN 11 HB2 GLN 11 -4.829 0.202 2.295
87 HB3 GLN 11 HB3 GLN 11 -4.228 -1.402 1.871
88 HG2 GLN 11 HG2 GLN 11 -2.836 -1.312 3.636
89 HG3 GLN 11 HG3 GLN 11 -2.007 0.049 2.879
90 HE21 GLN 11 HE21 GLN 11 -2.912 2.269 3.383
91 HE22 GLN 11 HE22 GLN 11 -3.710 2.509 4.861
92 H ARG 12 H ARG 12 -3.797 -2.013 -0.369
93 HA ARG 12 HA ARG 12 -1.386 -3.458 -0.251
94 HB2 ARG 12 HB2 ARG 12 -3.590 -3.283 -2.324
95 HB3 ARG 12 HB3 ARG 12 -2.320 -4.502 -2.400
96 HG2 ARG 12 HG2 ARG 12 -3.028 -5.549 -0.418
97 HG3 ARG 12 HG3 ARG 12 -3.920 -4.128 0.125
98 HD2 ARG 12 HD2 ARG 12 -5.800 -4.868 -0.896
99 HD3 ARG 12 HD3 ARG 12 -4.943 -5.023 -2.441
100 HE ARG 12 HE ARG 12 -4.877 -7.131 -0.310
101 HH11 ARG 12 HH11 ARG 12 -2.793 -7.218 -2.488
102 HH12 ARG 12 HH12 ARG 12 -3.522 -8.291 -3.636
103 HH21 ARG 12 HH21 ARG 12 -6.704 -8.012 -2.260
104 HH22 ARG 12 HH22 ARG 12 -5.747 -8.743 -3.505
105 H TRP 13 H TRP 13 -2.393 -1.015 -2.639
106 HA TRP 13 HA TRP 13 -0.271 -1.278 -4.512
107 HB2 TRP 13 HB2 TRP 13 -2.510 0.317 -4.065
108 HB3 TRP 13 HB3 TRP 13 -1.176 1.463 -3.973
109 HD1 TRP 13 HD1 TRP 13 -3.296 1.371 -6.350
110 HE1 TRP 13 HE1 TRP 13 -2.454 1.067 -8.770
111 HE3 TRP 13 HE3 TRP 13 1.286 -0.687 -5.437
112 HZ2 TRP 13 HZ2 TRP 13 -0.142 0.084 -10.132
113 HZ3 TRP 13 HZ3 TRP 13 2.784 -1.295 -7.311
114 HH2 TRP 13 HH2 TRP 13 2.079 -0.911 -9.655
115 H GLU 14 H GLU 14 -0.554 1.125 -1.870
116 HA GLU 14 HA GLU 14 2.207 1.993 -2.120
117 HB2 GLU 14 HB2 GLU 14 0.035 2.412 -0.048
118 HB3 GLU 14 HB3 GLU 14 1.560 3.299 -0.077
119 HG2 GLU 14 HG2 GLU 14 0.769 3.632 -2.655
120 HG3 GLU 14 HG3 GLU 14 -0.802 3.544 -1.856
121 H ASN 15 H ASN 15 0.478 -0.134 0.200
122 HA ASN 15 HA ASN 15 2.493 -0.481 2.133
123 HB2 ASN 15 HB2 ASN 15 0.031 -1.561 1.589
124 HB3 ASN 15 HB3 ASN 15 1.084 -2.944 1.303
125 HD21 ASN 15 HD21 ASN 15 3.058 -2.711 3.214
126 HD22 ASN 15 HD22 ASN 15 2.389 -2.694 4.774
127 H TRP 16 H TRP 16 2.126 -2.204 -0.993
128 HA TRP 16 HA TRP 16 4.421 -3.922 -0.642
129 HB2 TRP 16 HB2 TRP 16 2.904 -4.587 -2.312
130 HB3 TRP 16 HB3 TRP 16 2.712 -2.945 -2.925
131 HD1 TRP 16 HD1 TRP 16 5.238 -5.845 -2.913
132 HE1 TRP 16 HE1 TRP 16 6.813 -5.569 -4.933
133 HE3 TRP 16 HE3 TRP 16 3.642 -1.319 -4.664
134 HZ2 TRP 16 HZ2 TRP 16 7.332 -3.678 -7.013
135 HZ3 TRP 16 HZ3 TRP 16 4.697 -0.303 -6.662
136 HH2 TRP 16 HH2 TRP 16 6.538 -1.476 -7.839
137 H PHE 17 H PHE 17 3.972 -0.826 -2.389
138 HA PHE 17 HA PHE 17 6.619 -0.457 -3.323
139 HB2 PHE 17 HB2 PHE 17 4.579 0.855 -3.931
140 HB3 PHE 17 HB3 PHE 17 4.616 1.605 -2.336
141 HD1 PHE 17 HD1 PHE 17 6.753 1.051 -5.363
142 HD2 PHE 17 HD2 PHE 17 5.871 3.556 -1.987
143 HE1 PHE 17 HE1 PHE 17 8.372 2.737 -6.191
144 HE2 PHE 17 HE2 PHE 17 7.491 5.241 -2.814
145 HZ PHE 17 HZ PHE 17 8.742 4.832 -4.916
146 H TRP 18 H TRP 18 5.135 0.780 -0.295
147 HA TRP 18 HA TRP 18 7.543 1.912 0.781
148 HB2 TRP 18 HB2 TRP 18 5.012 0.843 2.073
149 HB3 TRP 18 HB3 TRP 18 6.213 1.816 2.916
150 HD1 TRP 18 HD1 TRP 18 3.042 2.471 1.864
151 HE1 TRP 18 HE1 TRP 18 2.697 4.780 0.768
152 HE3 TRP 18 HE3 TRP 18 7.883 3.643 0.719
153 HZ2 TRP 18 HZ2 TRP 18 4.261 6.844 -0.432
154 HZ3 TRP 18 HZ3 TRP 18 8.424 5.786 -0.398
155 HH2 TRP 18 HH2 TRP 18 6.620 7.388 -0.974
156 H ASN 19 H ASN 19 6.228 -1.377 0.857
157 HA ASN 19 HA ASN 19 7.867 -2.422 2.972
158 HB2 ASN 19 HB2 ASN 19 5.780 -3.364 1.741
159 HB3 ASN 19 HB3 ASN 19 6.932 -3.965 0.550
160 HD21 ASN 19 HD21 ASN 19 5.703 -4.421 3.809
161 HD22 ASN 19 HD22 ASN 19 6.625 -5.800 4.166
162 H VAL 20 H VAL 20 8.354 -2.402 -0.592
163 HA VAL 20 HA VAL 20 11.051 -3.562 -0.292
164 HB VAL 20 HB VAL 20 11.029 -3.464 -2.764
165 HG11 VAL 20 HG11 VAL 20 9.358 -5.100 -3.086
166 HG12 VAL 20 HG12 VAL 20 8.295 -4.380 -1.877
167 HG13 VAL 20 HG13 VAL 20 9.754 -5.233 -1.372
168 HG21 VAL 20 HG21 VAL 20 9.778 -1.281 -2.910
169 HG22 VAL 20 HG22 VAL 20 8.308 -2.151 -2.473
170 HG23 VAL 20 HG23 VAL 20 9.143 -2.534 -3.976
171 H THR 21 H THR 21 9.634 -0.364 -0.731
172 HA THR 21 HA THR 21 12.116 0.904 -1.609
173 HB THR 21 HB THR 21 9.472 1.959 -0.555
174 HG1 THR 21 HG1 THR 21 9.012 1.181 -2.478
175 HG21 THR 21 HG21 THR 21 10.193 4.107 -1.611
176 HG22 THR 21 HG22 THR 21 11.789 3.403 -1.870
177 HG23 THR 21 HG23 THR 21 11.190 3.651 -0.230
178 H LEU 22 H LEU 22 10.408 0.532 1.485
179 HA LEU 22 HA LEU 22 12.421 2.170 2.902
180 HB2 LEU 22 HB2 LEU 22 10.012 0.588 3.855
181 HB3 LEU 22 HB3 LEU 22 10.944 1.710 4.843
182 HG LEU 22 HG LEU 22 9.600 2.530 2.256
183 HD11 LEU 22 HD11 LEU 22 8.587 2.818 5.101
184 HD12 LEU 22 HD12 LEU 22 7.905 1.748 3.877
185 HD13 LEU 22 HD13 LEU 22 7.823 3.496 3.663
186 HD21 LEU 22 HD21 LEU 22 9.817 4.799 3.442
187 HD22 LEU 22 HD22 LEU 22 11.316 4.074 2.860
188 HD23 LEU 22 HD23 LEU 22 10.898 3.982 4.571
189 H ARG 23 H ARG 23 11.690 -1.212 2.345
190 HA ARG 23 HA ARG 23 12.809 -3.188 2.958
191 HB2 ARG 23 HB2 ARG 23 14.839 -0.996 2.969
192 HB3 ARG 23 HB3 ARG 23 15.321 -2.547 3.657
193 HG2 ARG 23 HG2 ARG 23 14.563 -3.675 1.569
194 HG3 ARG 23 HG3 ARG 23 14.192 -2.094 0.878
195 HD2 ARG 23 HD2 ARG 23 16.407 -1.573 0.543
196 HD3 ARG 23 HD3 ARG 23 16.931 -2.422 2.012
197 HE ARG 23 HE ARG 23 16.743 -4.542 0.794
198 HH11 ARG 23 HH11 ARG 23 18.513 -2.822 -0.955
199 HH12 ARG 23 HH12 ARG 23 17.810 -3.067 -2.520
200 HH21 ARG 23 HH21 ARG 23 14.840 -4.369 -1.263
201 HH22 ARG 23 HH22 ARG 23 15.721 -3.949 -2.694
202 HA PRO 24 HA PRO 24 11.954 -2.537 7.415
203 HB2 PRO 24 HB2 PRO 24 10.619 -4.910 7.731
204 HB3 PRO 24 HB3 PRO 24 9.832 -3.429 7.147
205 HG2 PRO 24 HG2 PRO 24 10.829 -5.774 5.606
206 HG3 PRO 24 HG3 PRO 24 9.354 -4.821 5.380
207 HD2 PRO 24 HD2 PRO 24 11.569 -4.507 3.841
208 HD3 PRO 24 HD3 PRO 24 10.435 -3.183 4.191
209 H GLU 25 H GLU 25 13.735 -2.992 8.653
210 HA GLU 25 HA GLU 25 15.572 -4.141 9.583
211 HB2 GLU 25 HB2 GLU 25 13.403 -6.148 9.103
212 HB3 GLU 25 HB3 GLU 25 14.991 -6.761 9.565
213 HG2 GLU 25 HG2 GLU 25 14.987 -5.524 11.605
214 HG3 GLU 25 HG3 GLU 25 13.612 -4.545 11.094
215 H ARG 26 H ARG 26 16.441 -3.341 7.292
216 HA ARG 26 HA ARG 26 17.948 -3.762 5.535
217 HB2 ARG 26 HB2 ARG 26 18.535 -5.468 7.602
218 HB3 ARG 26 HB3 ARG 26 18.291 -6.606 6.277
219 HG2 ARG 26 HG2 ARG 26 19.878 -5.283 4.886
220 HG3 ARG 26 HG3 ARG 26 20.171 -4.227 6.270
221 HD2 ARG 26 HD2 ARG 26 20.647 -6.584 7.474
222 HD3 ARG 26 HD3 ARG 26 21.078 -7.035 5.812
223 HE ARG 26 HE ARG 26 22.523 -4.902 5.840
224 HH11 ARG 26 HH11 ARG 26 23.756 -7.213 7.342
225 HH12 ARG 26 HH12 ARG 26 24.211 -6.463 8.834
226 HH21 ARG 26 HH21 ARG 26 22.200 -3.670 8.346
227 HH22 ARG 26 HH22 ARG 26 23.328 -4.448 9.405
Start of MODEL 16
1 HA ARG 1 HA ARG 1 -14.681 -2.558 -7.055
2 HB2 ARG 1 HB2 ARG 1 -15.678 -4.147 -8.827
3 HB3 ARG 1 HB3 ARG 1 -17.190 -4.013 -7.929
4 HG2 ARG 1 HG2 ARG 1 -17.492 -2.256 -9.389
5 HG3 ARG 1 HG3 ARG 1 -16.622 -1.401 -8.117
6 HD2 ARG 1 HD2 ARG 1 -14.920 -0.948 -9.540
7 HD3 ARG 1 HD3 ARG 1 -14.732 -2.672 -9.913
8 HE ARG 1 HE ARG 1 -16.741 -0.906 -11.272
9 HH11 ARG 1 HH11 ARG 1 -14.170 -1.520 -12.690
10 HH12 ARG 1 HH12 ARG 1 -14.602 -2.891 -13.654
11 HH21 ARG 1 HH21 ARG 1 -17.498 -3.575 -11.856
12 HH22 ARG 1 HH22 ARG 1 -16.494 -4.058 -13.182
13 H SER 2 H SER 2 -14.865 -2.506 -4.505
14 HA SER 2 HA SER 2 -17.617 -1.558 -3.843
15 HB2 SER 2 HB2 SER 2 -15.975 -3.652 -2.396
16 HB3 SER 2 HB3 SER 2 -17.344 -2.837 -1.647
17 HG SER 2 HG SER 2 -18.336 -4.484 -2.577
18 H ALA 3 H ALA 3 -17.619 -0.113 -1.959
19 HA ALA 3 HA ALA 3 -15.425 1.720 -1.843
20 HB1 ALA 3 HB1 ALA 3 -16.722 2.654 0.051
21 HB2 ALA 3 HB2 ALA 3 -17.678 1.173 0.122
22 HB3 ALA 3 HB3 ALA 3 -17.786 2.225 -1.289
23 H LEU 4 H LEU 4 -16.382 -0.943 0.348
24 HA LEU 4 HA LEU 4 -14.243 -0.484 2.252
25 HB2 LEU 4 HB2 LEU 4 -16.594 -1.933 2.116
26 HB3 LEU 4 HB3 LEU 4 -15.366 -3.196 2.041
27 HG LEU 4 HG LEU 4 -15.094 -1.012 4.084
28 HD11 LEU 4 HD11 LEU 4 -17.445 -1.920 4.208
29 HD12 LEU 4 HD12 LEU 4 -16.481 -2.220 5.654
30 HD13 LEU 4 HD13 LEU 4 -16.752 -3.517 4.490
31 HD21 LEU 4 HD21 LEU 4 -14.086 -2.948 5.347
32 HD22 LEU 4 HD22 LEU 4 -13.249 -2.570 3.841
33 HD23 LEU 4 HD23 LEU 4 -14.346 -3.949 3.917
34 H VAL 5 H VAL 5 -14.624 -2.530 -0.613
35 HA VAL 5 HA VAL 5 -12.206 -4.081 -0.238
36 HB VAL 5 HB VAL 5 -13.974 -3.423 -2.616
37 HG11 VAL 5 HG11 VAL 5 -12.788 -5.589 -3.508
38 HG12 VAL 5 HG12 VAL 5 -11.499 -5.118 -2.400
39 HG13 VAL 5 HG13 VAL 5 -11.990 -4.027 -3.697
40 HG21 VAL 5 HG21 VAL 5 -15.012 -4.767 -0.828
41 HG22 VAL 5 HG22 VAL 5 -13.661 -5.901 -0.887
42 HG23 VAL 5 HG23 VAL 5 -14.750 -5.752 -2.267
43 H ASN 6 H ASN 6 -12.971 -1.229 -2.282
44 HA ASN 6 HA ASN 6 -10.329 -0.909 -3.370
45 HB2 ASN 6 HB2 ASN 6 -12.815 0.148 -3.782
46 HB3 ASN 6 HB3 ASN 6 -12.024 1.491 -2.958
47 HD21 ASN 6 HD21 ASN 6 -12.624 0.421 -6.014
48 HD22 ASN 6 HD22 ASN 6 -11.245 1.007 -6.810
49 H SER 7 H SER 7 -11.878 0.374 -0.418
50 HA SER 7 HA SER 7 -9.936 2.308 0.334
51 HB2 SER 7 HB2 SER 7 -12.203 1.795 1.361
52 HB3 SER 7 HB3 SER 7 -11.452 0.418 2.162
53 HG SER 7 HG SER 7 -11.511 2.413 3.402
54 H TYR 8 H TYR 8 -10.051 -1.205 1.027
55 HA TYR 8 HA TYR 8 -7.491 -1.188 2.448
56 HB2 TYR 8 HB2 TYR 8 -9.168 -2.818 3.039
57 HB3 TYR 8 HB3 TYR 8 -9.349 -3.326 1.359
58 HD1 TYR 8 HD1 TYR 8 -6.836 -3.121 4.122
59 HD2 TYR 8 HD2 TYR 8 -8.046 -5.088 0.501
60 HE1 TYR 8 HE2 TYR 8 -5.028 -4.790 4.425
61 HE2 TYR 8 HE1 TYR 8 -6.237 -6.756 0.802
62 HH TYR 8 HH TYR 8 -4.780 -7.418 3.490
63 H LEU 9 H LEU 9 -8.638 -2.002 -0.824
64 HA LEU 9 HA LEU 9 -6.307 -3.207 -1.892
65 HB2 LEU 9 HB2 LEU 9 -8.647 -1.644 -2.910
66 HB3 LEU 9 HB3 LEU 9 -7.314 -1.927 -4.026
67 HG LEU 9 HG LEU 9 -8.796 -4.074 -2.477
68 HD11 LEU 9 HD11 LEU 9 -8.762 -3.585 -5.463
69 HD12 LEU 9 HD12 LEU 9 -10.012 -2.925 -4.406
70 HD13 LEU 9 HD13 LEU 9 -9.815 -4.672 -4.556
71 HD21 LEU 9 HD21 LEU 9 -6.442 -4.106 -4.365
72 HD22 LEU 9 HD22 LEU 9 -7.479 -5.520 -4.189
73 HD23 LEU 9 HD23 LEU 9 -6.602 -4.892 -2.795
74 H TRP 10 H TRP 10 -7.170 0.261 -1.645
75 HA TRP 10 HA TRP 10 -4.948 1.340 -3.058
76 HB2 TRP 10 HB2 TRP 10 -6.935 2.615 -2.372
77 HB3 TRP 10 HB3 TRP 10 -6.524 2.378 -0.674
78 HD1 TRP 10 HD1 TRP 10 -6.031 4.835 -0.018
79 HE1 TRP 10 HE1 TRP 10 -4.234 6.551 -0.710
80 HE3 TRP 10 HE3 TRP 10 -4.009 2.435 -4.052
81 HZ2 TRP 10 HZ2 TRP 10 -2.213 6.867 -2.703
82 HZ3 TRP 10 HZ3 TRP 10 -2.151 3.467 -5.325
83 HH2 TRP 10 HH2 TRP 10 -1.252 5.678 -4.656
84 H GLN 11 H GLN 11 -5.309 0.478 0.399
85 HA GLN 11 HA GLN 11 -2.733 1.364 1.277
86 HB2 GLN 11 HB2 GLN 11 -4.977 -0.265 2.213
87 HB3 GLN 11 HB3 GLN 11 -3.432 -0.887 2.791
88 HG2 GLN 11 HG2 GLN 11 -3.659 0.685 4.420
89 HG3 GLN 11 HG3 GLN 11 -3.095 1.803 3.178
90 HE21 GLN 11 HE21 GLN 11 -5.762 1.036 5.232
91 HE22 GLN 11 HE22 GLN 11 -6.879 2.116 4.550
92 H ARG 12 H ARG 12 -3.847 -1.804 0.035
93 HA ARG 12 HA ARG 12 -1.459 -3.305 0.281
94 HB2 ARG 12 HB2 ARG 12 -3.919 -3.283 -1.374
95 HB3 ARG 12 HB3 ARG 12 -2.566 -4.171 -2.073
96 HG2 ARG 12 HG2 ARG 12 -3.043 -4.666 0.810
97 HG3 ARG 12 HG3 ARG 12 -4.308 -5.246 -0.273
98 HD2 ARG 12 HD2 ARG 12 -1.358 -5.859 -0.669
99 HD3 ARG 12 HD3 ARG 12 -2.497 -6.953 0.139
100 HE ARG 12 HE ARG 12 -3.837 -6.442 -2.169
101 HH11 ARG 12 HH11 ARG 12 -1.045 -5.638 -3.216
102 HH12 ARG 12 HH12 ARG 12 -0.565 -7.108 -3.996
103 HH21 ARG 12 HH21 ARG 12 -3.013 -9.033 -2.455
104 HH22 ARG 12 HH22 ARG 12 -1.681 -9.037 -3.562
105 H TRP 13 H TRP 13 -2.468 -1.028 -2.261
106 HA TRP 13 HA TRP 13 -0.414 -1.430 -4.168
107 HB2 TRP 13 HB2 TRP 13 -2.582 0.246 -3.750
108 HB3 TRP 13 HB3 TRP 13 -1.223 1.363 -3.683
109 HD1 TRP 13 HD1 TRP 13 -3.326 1.334 -6.051
110 HE1 TRP 13 HE1 TRP 13 -2.508 0.946 -8.469
111 HE3 TRP 13 HE3 TRP 13 1.142 -0.946 -5.114
112 HZ2 TRP 13 HZ2 TRP 13 -0.253 -0.182 -9.819
113 HZ3 TRP 13 HZ3 TRP 13 2.603 -1.667 -6.978
114 HH2 TRP 13 HH2 TRP 13 1.914 -1.287 -9.328
115 H GLU 14 H GLU 14 -0.522 1.144 -1.679
116 HA GLU 14 HA GLU 14 2.248 1.890 -2.003
117 HB2 GLU 14 HB2 GLU 14 0.212 2.352 0.200
118 HB3 GLU 14 HB3 GLU 14 1.740 3.221 0.048
119 HG2 GLU 14 HG2 GLU 14 0.748 3.534 -2.470
120 HG3 GLU 14 HG3 GLU 14 -0.750 3.494 -1.538
121 H ASN 15 H ASN 15 0.558 -0.347 0.186
122 HA ASN 15 HA ASN 15 2.527 -0.800 2.150
123 HB2 ASN 15 HB2 ASN 15 0.121 -1.776 1.719
124 HB3 ASN 15 HB3 ASN 15 0.991 -3.062 0.884
125 HD21 ASN 15 HD21 ASN 15 2.954 -3.956 2.284
126 HD22 ASN 15 HD22 ASN 15 2.626 -4.182 3.934
127 H TRP 16 H TRP 16 2.241 -2.278 -1.099
128 HA TRP 16 HA TRP 16 4.606 -3.940 -0.854
129 HB2 TRP 16 HB2 TRP 16 3.077 -4.624 -2.496
130 HB3 TRP 16 HB3 TRP 16 2.758 -2.974 -3.025
131 HD1 TRP 16 HD1 TRP 16 5.352 -5.776 -3.349
132 HE1 TRP 16 HE1 TRP 16 6.827 -5.301 -5.410
133 HE3 TRP 16 HE3 TRP 16 3.621 -1.143 -4.627
134 HZ2 TRP 16 HZ2 TRP 16 7.221 -3.230 -7.343
135 HZ3 TRP 16 HZ3 TRP 16 4.564 0.056 -6.580
136 HH2 TRP 16 HH2 TRP 16 6.359 -0.981 -7.938
137 H PHE 17 H PHE 17 3.953 -0.765 -2.369
138 HA PHE 17 HA PHE 17 6.547 -0.246 -3.408
139 HB2 PHE 17 HB2 PHE 17 4.448 1.014 -3.884
140 HB3 PHE 17 HB3 PHE 17 4.487 1.666 -2.245
141 HD1 PHE 17 HD1 PHE 17 6.568 1.400 -5.350
142 HD2 PHE 17 HD2 PHE 17 5.672 3.642 -1.796
143 HE1 PHE 17 HE2 PHE 17 8.099 3.201 -6.099
144 HE2 PHE 17 HE1 PHE 17 7.202 5.443 -2.547
145 HZ PHE 17 HZ PHE 17 8.417 5.222 -4.698
146 H TRP 18 H TRP 18 5.131 0.665 -0.238
147 HA TRP 18 HA TRP 18 7.541 1.868 0.798
148 HB2 TRP 18 HB2 TRP 18 5.081 0.660 2.102
149 HB3 TRP 18 HB3 TRP 18 6.291 1.595 2.976
150 HD1 TRP 18 HD1 TRP 18 3.086 2.268 2.108
151 HE1 TRP 18 HE1 TRP 18 2.655 4.633 1.179
152 HE3 TRP 18 HE3 TRP 18 7.848 3.594 0.809
153 HZ2 TRP 18 HZ2 TRP 18 4.130 6.797 0.041
154 HZ3 TRP 18 HZ3 TRP 18 8.304 5.812 -0.192
155 HH2 TRP 18 HH2 TRP 18 6.453 7.415 -0.578
156 H ASN 19 H ASN 19 6.256 -1.444 0.839
157 HA ASN 19 HA ASN 19 8.061 -2.549 2.776
158 HB2 ASN 19 HB2 ASN 19 5.928 -3.531 1.833
159 HB3 ASN 19 HB3 ASN 19 6.821 -3.898 0.358
160 HD21 ASN 19 HD21 ASN 19 6.317 -4.864 3.700
161 HD22 ASN 19 HD22 ASN 19 7.326 -6.228 3.653
162 H VAL 20 H VAL 20 8.288 -2.351 -0.808
163 HA VAL 20 HA VAL 20 10.982 -3.546 -0.777
164 HB VAL 20 HB VAL 20 10.794 -3.274 -3.225
165 HG11 VAL 20 HG11 VAL 20 9.298 -4.931 -1.632
166 HG12 VAL 20 HG12 VAL 20 9.381 -5.041 -3.390
167 HG13 VAL 20 HG13 VAL 20 8.052 -4.172 -2.623
168 HG21 VAL 20 HG21 VAL 20 8.763 -1.316 -2.418
169 HG22 VAL 20 HG22 VAL 20 8.193 -2.418 -3.669
170 HG23 VAL 20 HG23 VAL 20 9.646 -1.455 -3.936
171 H THR 21 H THR 21 9.619 -0.294 -0.829
172 HA THR 21 HA THR 21 12.126 0.947 -1.748
173 HB THR 21 HB THR 21 9.521 2.046 -0.642
174 HG1 THR 21 HG1 THR 21 8.991 1.383 -2.578
175 HG21 THR 21 HG21 THR 21 11.260 3.686 -0.277
176 HG22 THR 21 HG22 THR 21 10.321 4.193 -1.682
177 HG23 THR 21 HG23 THR 21 11.899 3.436 -1.903
178 H LEU 22 H LEU 22 10.355 0.601 1.319
179 HA LEU 22 HA LEU 22 12.558 1.962 2.780
180 HB2 LEU 22 HB2 LEU 22 9.863 0.889 3.671
181 HB3 LEU 22 HB3 LEU 22 10.950 1.859 4.661
182 HG LEU 22 HG LEU 22 10.115 2.921 1.982
183 HD11 LEU 22 HD11 LEU 22 8.073 3.828 2.868
184 HD12 LEU 22 HD12 LEU 22 8.448 3.244 4.489
185 HD13 LEU 22 HD13 LEU 22 8.053 2.098 3.209
186 HD21 LEU 22 HD21 LEU 22 11.806 4.099 3.348
187 HD22 LEU 22 HD22 LEU 22 10.665 4.181 4.690
188 HD23 LEU 22 HD23 LEU 22 10.336 5.063 3.198
189 H ARG 23 H ARG 23 11.305 -1.238 2.167
190 HA ARG 23 HA ARG 23 11.972 -3.369 2.932
191 HB2 ARG 23 HB2 ARG 23 14.118 -1.951 2.114
192 HB3 ARG 23 HB3 ARG 23 14.585 -2.213 3.794
193 HG2 ARG 23 HG2 ARG 23 15.456 -4.121 2.783
194 HG3 ARG 23 HG3 ARG 23 13.872 -4.700 3.301
195 HD2 ARG 23 HD2 ARG 23 13.353 -3.575 0.801
196 HD3 ARG 23 HD3 ARG 23 14.918 -4.384 0.585
197 HE ARG 23 HE ARG 23 13.840 -6.440 1.572
198 HH11 ARG 23 HH11 ARG 23 12.614 -5.938 -1.103
199 HH12 ARG 23 HH12 ARG 23 10.919 -6.014 -0.753
200 HH21 ARG 23 HH21 ARG 23 11.343 -5.635 2.674
201 HH22 ARG 23 HH22 ARG 23 10.195 -5.846 1.393
202 HA PRO 24 HA PRO 24 11.398 -1.955 7.365
203 HB2 PRO 24 HB2 PRO 24 8.891 -2.996 7.727
204 HB3 PRO 24 HB3 PRO 24 9.181 -1.359 7.107
205 HG2 PRO 24 HG2 PRO 24 8.465 -3.841 5.635
206 HG3 PRO 24 HG3 PRO 24 7.945 -2.173 5.357
207 HD2 PRO 24 HD2 PRO 24 9.863 -3.441 3.876
208 HD3 PRO 24 HD3 PRO 24 9.774 -1.679 4.085
209 H GLU 25 H GLU 25 13.019 -3.564 7.861
210 HA GLU 25 HA GLU 25 12.002 -6.364 8.227
211 HB2 GLU 25 HB2 GLU 25 14.189 -5.352 6.859
212 HB3 GLU 25 HB3 GLU 25 14.896 -5.858 8.393
213 HG2 GLU 25 HG2 GLU 25 13.020 -7.676 6.887
214 HG3 GLU 25 HG3 GLU 25 14.736 -7.617 6.487
215 H ARG 26 H ARG 26 12.083 -7.255 10.298
216 HA ARG 26 HA ARG 26 13.586 -5.842 12.443
217 HB2 ARG 26 HB2 ARG 26 10.786 -5.562 11.915
218 HB3 ARG 26 HB3 ARG 26 10.962 -6.462 13.421
219 HG2 ARG 26 HG2 ARG 26 12.573 -3.963 12.912
220 HG3 ARG 26 HG3 ARG 26 10.932 -3.871 13.554
221 HD2 ARG 26 HD2 ARG 26 11.775 -4.277 15.619
222 HD3 ARG 26 HD3 ARG 26 12.279 -5.883 15.057
223 HE ARG 26 HE ARG 26 14.044 -3.627 14.308
224 HH11 ARG 26 HH11 ARG 26 14.664 -6.654 14.490
225 HH12 ARG 26 HH12 ARG 26 15.706 -6.674 15.873
226 HH21 ARG 26 HH21 ARG 26 14.814 -3.483 16.925
227 HH22 ARG 26 HH22 ARG 26 15.789 -4.875 17.259
Start of MODEL 17
1 HA ARG 1 HA ARG 1 -14.375 1.968 -7.200
2 HB2 ARG 1 HB2 ARG 1 -15.872 2.542 -9.366
3 HB3 ARG 1 HB3 ARG 1 -17.162 2.428 -8.168
4 HG2 ARG 1 HG2 ARG 1 -16.210 4.148 -6.825
5 HG3 ARG 1 HG3 ARG 1 -14.674 4.078 -7.690
6 HD2 ARG 1 HD2 ARG 1 -17.263 4.842 -9.075
7 HD3 ARG 1 HD3 ARG 1 -16.193 6.040 -8.323
8 HE ARG 1 HE ARG 1 -14.369 4.815 -9.801
9 HH11 ARG 1 HH11 ARG 1 -16.521 3.271 -11.270
10 HH12 ARG 1 HH12 ARG 1 -16.761 4.257 -12.672
11 HH21 ARG 1 HH21 ARG 1 -15.163 7.030 -11.316
12 HH22 ARG 1 HH22 ARG 1 -15.990 6.395 -12.698
13 H SER 2 H SER 2 -14.818 1.707 -5.047
14 HA SER 2 HA SER 2 -17.454 0.838 -4.092
15 HB2 SER 2 HB2 SER 2 -15.141 -0.979 -4.423
16 HB3 SER 2 HB3 SER 2 -15.931 -1.072 -2.852
17 HG SER 2 HG SER 2 -17.172 -1.290 -5.403
18 H ALA 3 H ALA 3 -17.258 0.515 -1.566
19 HA ALA 3 HA ALA 3 -15.598 2.764 -0.532
20 HB1 ALA 3 HB1 ALA 3 -17.824 1.176 0.781
21 HB2 ALA 3 HB2 ALA 3 -18.097 2.609 -0.210
22 HB3 ALA 3 HB3 ALA 3 -17.192 2.740 1.298
23 H LEU 4 H LEU 4 -16.242 -0.707 0.060
24 HA LEU 4 HA LEU 4 -13.995 -0.743 2.033
25 HB2 LEU 4 HB2 LEU 4 -16.536 -2.216 1.591
26 HB3 LEU 4 HB3 LEU 4 -15.194 -3.169 2.225
27 HG LEU 4 HG LEU 4 -15.722 -0.497 3.464
28 HD11 LEU 4 HD11 LEU 4 -17.383 -2.992 3.916
29 HD12 LEU 4 HD12 LEU 4 -17.961 -1.408 3.397
30 HD13 LEU 4 HD13 LEU 4 -17.339 -1.628 5.033
31 HD21 LEU 4 HD21 LEU 4 -13.806 -2.083 4.046
32 HD22 LEU 4 HD22 LEU 4 -15.027 -3.170 4.707
33 HD23 LEU 4 HD23 LEU 4 -14.805 -1.566 5.405
34 H VAL 5 H VAL 5 -14.188 -1.122 -1.198
35 HA VAL 5 HA VAL 5 -12.493 -3.594 -1.275
36 HB VAL 5 HB VAL 5 -14.150 -2.121 -3.351
37 HG11 VAL 5 HG11 VAL 5 -12.143 -4.346 -3.603
38 HG12 VAL 5 HG12 VAL 5 -12.397 -2.954 -4.655
39 HG13 VAL 5 HG13 VAL 5 -13.536 -4.299 -4.684
40 HG21 VAL 5 HG21 VAL 5 -14.401 -4.790 -1.938
41 HG22 VAL 5 HG22 VAL 5 -15.336 -4.377 -3.374
42 HG23 VAL 5 HG23 VAL 5 -15.534 -3.440 -1.893
43 H ASN 6 H ASN 6 -12.772 -0.422 -2.932
44 HA ASN 6 HA ASN 6 -10.075 -0.378 -3.925
45 HB2 ASN 6 HB2 ASN 6 -12.122 1.787 -3.329
46 HB3 ASN 6 HB3 ASN 6 -10.641 2.063 -4.245
47 HD21 ASN 6 HD21 ASN 6 -10.720 1.593 -6.476
48 HD22 ASN 6 HD22 ASN 6 -11.984 0.747 -7.228
49 H SER 7 H SER 7 -11.563 0.916 -0.941
50 HA SER 7 HA SER 7 -9.350 2.402 0.062
51 HB2 SER 7 HB2 SER 7 -11.779 2.211 0.883
52 HB3 SER 7 HB3 SER 7 -11.283 0.727 1.692
53 HG SER 7 HG SER 7 -11.009 2.363 3.147
54 H TYR 8 H TYR 8 -10.229 -1.034 0.585
55 HA TYR 8 HA TYR 8 -7.892 -1.684 2.163
56 HB2 TYR 8 HB2 TYR 8 -9.776 -3.090 2.391
57 HB3 TYR 8 HB3 TYR 8 -10.040 -3.172 0.650
58 HD1 TYR 8 HD1 TYR 8 -7.471 -4.074 3.236
59 HD2 TYR 8 HD2 TYR 8 -9.309 -5.056 -0.519
60 HE1 TYR 8 HE2 TYR 8 -6.135 -6.160 3.128
61 HE2 TYR 8 HE1 TYR 8 -7.974 -7.142 -0.628
62 HH TYR 8 HH TYR 8 -5.647 -7.890 0.418
63 H LEU 9 H LEU 9 -8.697 -2.024 -1.305
64 HA LEU 9 HA LEU 9 -6.335 -3.406 -2.128
65 HB2 LEU 9 HB2 LEU 9 -8.612 -1.974 -3.278
66 HB3 LEU 9 HB3 LEU 9 -7.155 -1.763 -4.242
67 HG LEU 9 HG LEU 9 -8.460 -3.759 -4.945
68 HD11 LEU 9 HD11 LEU 9 -6.598 -5.212 -5.147
69 HD12 LEU 9 HD12 LEU 9 -5.908 -4.676 -3.615
70 HD13 LEU 9 HD13 LEU 9 -5.891 -3.602 -5.014
71 HD21 LEU 9 HD21 LEU 9 -9.165 -4.157 -2.447
72 HD22 LEU 9 HD22 LEU 9 -7.668 -5.087 -2.364
73 HD23 LEU 9 HD23 LEU 9 -8.929 -5.546 -3.508
74 H TRP 10 H TRP 10 -7.027 0.093 -1.846
75 HA TRP 10 HA TRP 10 -4.547 1.016 -2.980
76 HB2 TRP 10 HB2 TRP 10 -6.260 2.608 -2.855
77 HB3 TRP 10 HB3 TRP 10 -6.737 2.113 -1.232
78 HD1 TRP 10 HD1 TRP 10 -3.968 4.060 -3.061
79 HE1 TRP 10 HE1 TRP 10 -2.862 5.676 -1.383
80 HE3 TRP 10 HE3 TRP 10 -6.351 2.648 1.229
81 HZ2 TRP 10 HZ2 TRP 10 -2.977 6.290 1.406
82 HZ3 TRP 10 HZ3 TRP 10 -5.833 3.764 3.380
83 HH2 TRP 10 HH2 TRP 10 -4.151 5.583 3.473
84 H GLN 11 H GLN 11 -5.556 0.492 0.429
85 HA GLN 11 HA GLN 11 -3.185 1.338 1.717
86 HB2 GLN 11 HB2 GLN 11 -5.607 0.176 2.394
87 HB3 GLN 11 HB3 GLN 11 -4.444 -1.071 2.844
88 HG2 GLN 11 HG2 GLN 11 -3.257 1.279 3.746
89 HG3 GLN 11 HG3 GLN 11 -4.968 1.516 4.101
90 HE21 GLN 11 HE21 GLN 11 -2.108 -0.053 5.190
91 HE22 GLN 11 HE22 GLN 11 -2.832 -1.053 6.355
92 H ARG 12 H ARG 12 -3.952 -1.794 0.211
93 HA ARG 12 HA ARG 12 -1.538 -3.149 1.068
94 HB2 ARG 12 HB2 ARG 12 -3.962 -3.741 -0.203
95 HB3 ARG 12 HB3 ARG 12 -2.742 -4.067 -1.434
96 HG2 ARG 12 HG2 ARG 12 -1.593 -5.173 0.811
97 HG3 ARG 12 HG3 ARG 12 -3.306 -5.505 1.072
98 HD2 ARG 12 HD2 ARG 12 -3.487 -6.621 -1.078
99 HD3 ARG 12 HD3 ARG 12 -1.829 -6.147 -1.506
100 HE ARG 12 HE ARG 12 -2.541 -8.079 0.661
101 HH11 ARG 12 HH11 ARG 12 -0.998 -8.610 -1.984
102 HH12 ARG 12 HH12 ARG 12 0.616 -8.761 -1.374
103 HH21 ARG 12 HH21 ARG 12 -0.147 -7.366 1.718
104 HH22 ARG 12 HH22 ARG 12 1.099 -8.058 0.734
105 H TRP 13 H TRP 13 -2.395 -1.158 -1.749
106 HA TRP 13 HA TRP 13 -0.134 -1.813 -3.390
107 HB2 TRP 13 HB2 TRP 13 -1.395 -0.539 -4.768
108 HB3 TRP 13 HB3 TRP 13 -2.442 -0.139 -3.415
109 HD1 TRP 13 HD1 TRP 13 -2.576 2.321 -2.830
110 HE1 TRP 13 HE1 TRP 13 -1.159 4.419 -3.312
111 HE3 TRP 13 HE3 TRP 13 1.380 0.178 -5.236
112 HZ2 TRP 13 HZ2 TRP 13 1.328 5.097 -4.554
113 HZ3 TRP 13 HZ3 TRP 13 3.258 1.569 -6.059
114 HH2 TRP 13 HH2 TRP 13 3.238 4.025 -5.721
115 H GLU 14 H GLU 14 -0.637 0.816 -0.999
116 HA GLU 14 HA GLU 14 2.001 1.965 -1.348
117 HB2 GLU 14 HB2 GLU 14 -0.246 2.126 0.649
118 HB3 GLU 14 HB3 GLU 14 1.296 2.908 1.005
119 HG2 GLU 14 HG2 GLU 14 0.993 3.799 -1.497
120 HG3 GLU 14 HG3 GLU 14 -0.709 3.550 -1.112
121 H ASN 15 H ASN 15 0.619 -0.416 0.928
122 HA ASN 15 HA ASN 15 2.840 -0.720 2.675
123 HB2 ASN 15 HB2 ASN 15 0.374 -1.767 2.505
124 HB3 ASN 15 HB3 ASN 15 1.263 -3.109 1.784
125 HD21 ASN 15 HD21 ASN 15 3.561 -3.351 3.228
126 HD22 ASN 15 HD22 ASN 15 3.245 -3.538 4.884
127 H TRP 16 H TRP 16 2.076 -2.459 -0.367
128 HA TRP 16 HA TRP 16 4.522 -4.005 -0.420
129 HB2 TRP 16 HB2 TRP 16 2.754 -4.860 -1.709
130 HB3 TRP 16 HB3 TRP 16 2.300 -3.268 -2.318
131 HD1 TRP 16 HD1 TRP 16 4.952 -6.004 -2.787
132 HE1 TRP 16 HE1 TRP 16 6.042 -5.703 -5.104
133 HE3 TRP 16 HE3 TRP 16 2.757 -1.623 -4.233
134 HZ2 TRP 16 HZ2 TRP 16 5.991 -3.850 -7.279
135 HZ3 TRP 16 HZ3 TRP 16 3.297 -0.615 -6.431
136 HH2 TRP 16 HH2 TRP 16 4.909 -1.721 -7.954
137 H PHE 17 H PHE 17 3.505 -0.935 -1.946
138 HA PHE 17 HA PHE 17 5.793 -0.434 -3.540
139 HB2 PHE 17 HB2 PHE 17 3.614 0.790 -3.542
140 HB3 PHE 17 HB3 PHE 17 4.050 1.518 -1.996
141 HD1 PHE 17 HD1 PHE 17 5.513 1.012 -5.420
142 HD2 PHE 17 HD2 PHE 17 5.067 3.611 -2.029
143 HE1 PHE 17 HE2 PHE 17 6.775 2.782 -6.611
144 HE2 PHE 17 HE1 PHE 17 6.326 5.382 -3.222
145 HZ PHE 17 HZ PHE 17 7.182 4.969 -5.512
146 H TRP 18 H TRP 18 5.132 0.883 -0.251
147 HA TRP 18 HA TRP 18 7.717 2.011 0.166
148 HB2 TRP 18 HB2 TRP 18 5.676 0.868 2.102
149 HB3 TRP 18 HB3 TRP 18 7.025 1.900 2.573
150 HD1 TRP 18 HD1 TRP 18 3.666 2.407 2.455
151 HE1 TRP 18 HE1 TRP 18 2.923 4.682 1.499
152 HE3 TRP 18 HE3 TRP 18 7.929 3.767 -0.011
153 HZ2 TRP 18 HZ2 TRP 18 3.994 6.798 -0.092
154 HZ3 TRP 18 HZ3 TRP 18 8.039 5.918 -1.234
155 HH2 TRP 18 HH2 TRP 18 6.079 7.435 -1.277
156 H ASN 19 H ASN 19 6.486 -1.272 0.803
157 HA ASN 19 HA ASN 19 8.633 -2.320 2.321
158 HB2 ASN 19 HB2 ASN 19 6.505 -3.325 0.504
159 HB3 ASN 19 HB3 ASN 19 7.835 -4.437 0.820
160 HD21 ASN 19 HD21 ASN 19 6.993 -5.863 2.381
161 HD22 ASN 19 HD22 ASN 19 6.269 -5.369 3.834
162 H VAL 20 H VAL 20 8.279 -2.182 -1.254
163 HA VAL 20 HA VAL 20 11.037 -3.234 -1.578
164 HB VAL 20 HB VAL 20 10.416 -3.310 -3.967
165 HG11 VAL 20 HG11 VAL 20 9.647 -5.074 -2.281
166 HG12 VAL 20 HG12 VAL 20 8.763 -5.014 -3.806
167 HG13 VAL 20 HG13 VAL 20 8.063 -4.302 -2.352
168 HG21 VAL 20 HG21 VAL 20 8.164 -2.612 -4.689
169 HG22 VAL 20 HG22 VAL 20 9.058 -1.240 -4.036
170 HG23 VAL 20 HG23 VAL 20 7.816 -2.025 -3.064
171 H THR 21 H THR 21 9.250 -0.192 -1.979
172 HA THR 21 HA THR 21 11.319 1.213 -3.431
173 HB THR 21 HB THR 21 9.017 2.123 -1.672
174 HG1 THR 21 HG1 THR 21 9.344 1.815 -4.475
175 HG21 THR 21 HG21 THR 21 10.839 3.669 -3.528
176 HG22 THR 21 HG22 THR 21 10.545 3.966 -1.815
177 HG23 THR 21 HG23 THR 21 9.271 4.274 -2.996
178 H LEU 22 H LEU 22 10.673 0.674 0.002
179 HA LEU 22 HA LEU 22 13.021 2.379 0.713
180 HB2 LEU 22 HB2 LEU 22 10.712 1.246 2.333
181 HB3 LEU 22 HB3 LEU 22 11.996 2.253 2.998
182 HG LEU 22 HG LEU 22 10.506 3.270 0.608
183 HD11 LEU 22 HD11 LEU 22 9.442 3.621 3.416
184 HD12 LEU 22 HD12 LEU 22 8.835 2.367 2.334
185 HD13 LEU 22 HD13 LEU 22 8.668 4.067 1.896
186 HD21 LEU 22 HD21 LEU 22 12.395 4.543 1.500
187 HD22 LEU 22 HD22 LEU 22 11.681 4.518 3.113
188 HD23 LEU 22 HD23 LEU 22 10.899 5.421 1.816
189 H ARG 23 H ARG 23 12.042 -0.011 2.985
190 HA ARG 23 HA ARG 23 13.440 -2.330 2.199
191 HB2 ARG 23 HB2 ARG 23 15.443 -1.028 2.031
192 HB3 ARG 23 HB3 ARG 23 15.133 -0.213 3.557
193 HG2 ARG 23 HG2 ARG 23 15.253 -3.143 3.793
194 HG3 ARG 23 HG3 ARG 23 16.760 -2.416 3.238
195 HD2 ARG 23 HD2 ARG 23 16.558 -0.776 5.182
196 HD3 ARG 23 HD3 ARG 23 15.251 -1.807 5.797
197 HE ARG 23 HE ARG 23 18.091 -2.647 5.476
198 HH11 ARG 23 HH11 ARG 23 16.207 -4.897 4.897
199 HH12 ARG 23 HH12 ARG 23 15.984 -5.604 6.462
200 HH21 ARG 23 HH21 ARG 23 17.213 -2.836 8.172
201 HH22 ARG 23 HH22 ARG 23 16.555 -4.432 8.324
202 HA PRO 24 HA PRO 24 12.903 -2.498 6.920
203 HB2 PRO 24 HB2 PRO 24 12.442 -0.216 8.346
204 HB3 PRO 24 HB3 PRO 24 14.073 -0.792 7.955
205 HG2 PRO 24 HG2 PRO 24 12.511 1.411 6.753
206 HG3 PRO 24 HG3 PRO 24 14.258 1.247 6.966
207 HD2 PRO 24 HD2 PRO 24 12.863 0.843 4.593
208 HD3 PRO 24 HD3 PRO 24 14.515 0.298 4.939
209 H GLU 25 H GLU 25 11.000 -1.769 8.666
210 HA GLU 25 HA GLU 25 8.481 -2.171 7.229
211 HB2 GLU 25 HB2 GLU 25 9.497 -2.090 10.036
212 HB3 GLU 25 HB3 GLU 25 7.775 -1.783 9.807
213 HG2 GLU 25 HG2 GLU 25 7.569 -4.043 9.813
214 HG3 GLU 25 HG3 GLU 25 8.184 -3.952 8.163
215 H ARG 26 H ARG 26 6.560 -0.720 7.748
216 HA ARG 26 HA ARG 26 7.392 2.158 7.970
217 HB2 ARG 26 HB2 ARG 26 6.499 0.894 5.730
218 HB3 ARG 26 HB3 ARG 26 4.965 1.421 6.420
219 HG2 ARG 26 HG2 ARG 26 7.263 3.354 6.237
220 HG3 ARG 26 HG3 ARG 26 6.267 3.037 4.817
221 HD2 ARG 26 HD2 ARG 26 4.872 4.638 5.653
222 HD3 ARG 26 HD3 ARG 26 4.384 3.410 6.839
223 HE ARG 26 HE ARG 26 6.151 4.291 8.351
224 HH11 ARG 26 HH11 ARG 26 7.500 5.778 5.956
225 HH12 ARG 26 HH12 ARG 26 7.166 7.419 6.398
226 HH21 ARG 26 HH21 ARG 26 4.764 6.572 8.763
227 HH22 ARG 26 HH22 ARG 26 5.612 7.870 7.992
Start of MODEL 18
1 HA ARG 1 HA ARG 1 -17.357 -1.185 -6.209
2 HB2 ARG 1 HB2 ARG 1 -15.972 -2.997 -7.405
3 HB3 ARG 1 HB3 ARG 1 -15.680 -3.675 -5.803
4 HG2 ARG 1 HG2 ARG 1 -17.939 -4.207 -5.473
5 HG3 ARG 1 HG3 ARG 1 -18.489 -3.044 -6.678
6 HD2 ARG 1 HD2 ARG 1 -17.784 -4.433 -8.494
7 HD3 ARG 1 HD3 ARG 1 -16.836 -5.478 -7.417
8 HE ARG 1 HE ARG 1 -18.863 -6.492 -6.661
9 HH11 ARG 1 HH11 ARG 1 -19.788 -6.244 -9.475
10 HH12 ARG 1 HH12 ARG 1 -21.309 -5.433 -9.306
11 HH21 ARG 1 HH21 ARG 1 -20.664 -4.351 -6.065
12 HH22 ARG 1 HH22 ARG 1 -21.808 -4.360 -7.365
13 H SER 2 H SER 2 -18.621 -2.006 -4.386
14 HA SER 2 HA SER 2 -19.142 -2.190 -2.093
15 HB2 SER 2 HB2 SER 2 -17.006 -3.864 -2.710
16 HB3 SER 2 HB3 SER 2 -16.441 -2.995 -1.285
17 HG SER 2 HG SER 2 -18.388 -4.895 -1.536
18 H ALA 3 H ALA 3 -17.688 -1.672 0.213
19 HA ALA 3 HA ALA 3 -16.890 1.200 -0.159
20 HB1 ALA 3 HB1 ALA 3 -18.227 -0.320 2.098
21 HB2 ALA 3 HB2 ALA 3 -18.941 0.936 1.085
22 HB3 ALA 3 HB3 ALA 3 -17.683 1.352 2.248
23 H LEU 4 H LEU 4 -16.260 -1.642 1.962
24 HA LEU 4 HA LEU 4 -13.651 -0.465 2.757
25 HB2 LEU 4 HB2 LEU 4 -15.656 -2.236 3.852
26 HB3 LEU 4 HB3 LEU 4 -14.082 -3.026 3.900
27 HG LEU 4 HG LEU 4 -14.564 -1.672 5.950
28 HD11 LEU 4 HD11 LEU 4 -12.376 -0.068 5.170
29 HD12 LEU 4 HD12 LEU 4 -12.222 -1.569 4.259
30 HD13 LEU 4 HD13 LEU 4 -12.317 -1.612 6.019
31 HD21 LEU 4 HD21 LEU 4 -14.755 0.696 5.857
32 HD22 LEU 4 HD22 LEU 4 -15.819 0.111 4.578
33 HD23 LEU 4 HD23 LEU 4 -14.227 0.753 4.175
34 H VAL 5 H VAL 5 -14.177 -1.630 -0.028
35 HA VAL 5 HA VAL 5 -12.225 -3.899 0.011
36 HB VAL 5 HB VAL 5 -14.338 -2.934 -1.941
37 HG11 VAL 5 HG11 VAL 5 -12.732 -3.688 -3.453
38 HG12 VAL 5 HG12 VAL 5 -13.594 -5.187 -3.106
39 HG13 VAL 5 HG13 VAL 5 -12.055 -4.851 -2.312
40 HG21 VAL 5 HG21 VAL 5 -13.980 -5.602 -0.543
41 HG22 VAL 5 HG22 VAL 5 -15.387 -5.061 -1.458
42 HG23 VAL 5 HG23 VAL 5 -14.992 -4.300 0.084
43 H ASN 6 H ASN 6 -13.035 -0.998 -1.957
44 HA ASN 6 HA ASN 6 -10.520 -0.919 -3.361
45 HB2 ASN 6 HB2 ASN 6 -12.991 0.377 -3.409
46 HB3 ASN 6 HB3 ASN 6 -11.862 1.656 -2.956
47 HD21 ASN 6 HD21 ASN 6 -10.030 2.084 -4.464
48 HD22 ASN 6 HD22 ASN 6 -10.149 1.618 -6.092
49 H SER 7 H SER 7 -11.639 0.555 -0.312
50 HA SER 7 HA SER 7 -9.453 2.338 0.143
51 HB2 SER 7 HB2 SER 7 -10.156 1.920 2.580
52 HB3 SER 7 HB3 SER 7 -11.431 2.461 1.494
53 HG SER 7 HG SER 7 -11.577 0.402 2.970
54 H TYR 8 H TYR 8 -9.932 -1.062 1.164
55 HA TYR 8 HA TYR 8 -7.327 -1.390 2.365
56 HB2 TYR 8 HB2 TYR 8 -9.009 -2.926 2.994
57 HB3 TYR 8 HB3 TYR 8 -9.536 -3.172 1.330
58 HD1 TYR 8 HD1 TYR 8 -6.598 -3.711 3.592
59 HD2 TYR 8 HD2 TYR 8 -8.740 -5.008 0.102
60 HE1 TYR 8 HE2 TYR 8 -5.097 -5.676 3.401
61 HE2 TYR 8 HE1 TYR 8 -7.240 -6.972 -0.089
62 HH TYR 8 HH TYR 8 -5.697 -8.305 1.887
63 H LEU 9 H LEU 9 -8.627 -1.938 -0.908
64 HA LEU 9 HA LEU 9 -6.407 -3.273 -2.085
65 HB2 LEU 9 HB2 LEU 9 -8.714 -1.587 -2.955
66 HB3 LEU 9 HB3 LEU 9 -7.432 -1.845 -4.136
67 HG LEU 9 HG LEU 9 -8.809 -4.075 -2.612
68 HD11 LEU 9 HD11 LEU 9 -9.893 -4.543 -4.830
69 HD12 LEU 9 HD12 LEU 9 -9.256 -3.006 -5.414
70 HD13 LEU 9 HD13 LEU 9 -10.423 -3.032 -4.093
71 HD21 LEU 9 HD21 LEU 9 -6.828 -3.989 -4.907
72 HD22 LEU 9 HD22 LEU 9 -7.749 -5.434 -4.487
73 HD23 LEU 9 HD23 LEU 9 -6.611 -4.745 -3.328
74 H TRP 10 H TRP 10 -7.110 0.230 -1.805
75 HA TRP 10 HA TRP 10 -4.776 1.178 -3.175
76 HB2 TRP 10 HB2 TRP 10 -6.509 2.735 -2.823
77 HB3 TRP 10 HB3 TRP 10 -6.731 2.249 -1.143
78 HD1 TRP 10 HD1 TRP 10 -4.173 4.103 -3.362
79 HE1 TRP 10 HE1 TRP 10 -2.903 5.797 -1.890
80 HE3 TRP 10 HE3 TRP 10 -6.155 2.962 1.202
81 HZ2 TRP 10 HZ2 TRP 10 -2.751 6.566 0.861
82 HZ3 TRP 10 HZ3 TRP 10 -5.430 4.188 3.230
83 HH2 TRP 10 HH2 TRP 10 -3.732 5.987 3.065
84 H GLN 11 H GLN 11 -5.409 0.575 0.301
85 HA GLN 11 HA GLN 11 -2.907 1.395 1.355
86 HB2 GLN 11 HB2 GLN 11 -5.235 -0.196 2.115
87 HB3 GLN 11 HB3 GLN 11 -3.755 -0.842 2.825
88 HG2 GLN 11 HG2 GLN 11 -3.718 2.030 3.022
89 HG3 GLN 11 HG3 GLN 11 -5.235 1.420 3.684
90 HE21 GLN 11 HE21 GLN 11 -4.835 -0.683 5.149
91 HE22 GLN 11 HE22 GLN 11 -3.527 -0.563 6.223
92 H ARG 12 H ARG 12 -3.896 -1.728 -0.053
93 HA ARG 12 HA ARG 12 -1.500 -3.200 0.498
94 HB2 ARG 12 HB2 ARG 12 -3.836 -3.948 -0.299
95 HB3 ARG 12 HB3 ARG 12 -3.296 -3.504 -1.918
96 HG2 ARG 12 HG2 ARG 12 -1.393 -5.053 -1.724
97 HG3 ARG 12 HG3 ARG 12 -1.904 -5.489 -0.093
98 HD2 ARG 12 HD2 ARG 12 -2.883 -7.212 -1.344
99 HD3 ARG 12 HD3 ARG 12 -4.207 -6.031 -1.318
100 HE ARG 12 HE ARG 12 -3.213 -5.184 -3.534
101 HH11 ARG 12 HH11 ARG 12 -0.946 -7.275 -3.326
102 HH12 ARG 12 HH12 ARG 12 -1.498 -8.453 -4.469
103 HH21 ARG 12 HH21 ARG 12 -4.733 -7.185 -4.605
104 HH22 ARG 12 HH22 ARG 12 -3.651 -8.400 -5.198
105 H TRP 13 H TRP 13 -2.446 -1.138 -2.269
106 HA TRP 13 HA TRP 13 -0.188 -1.698 -3.938
107 HB2 TRP 13 HB2 TRP 13 -1.498 -0.412 -5.260
108 HB3 TRP 13 HB3 TRP 13 -2.509 -0.030 -3.875
109 HD1 TRP 13 HD1 TRP 13 -2.642 2.426 -3.288
110 HE1 TRP 13 HE1 TRP 13 -1.226 4.527 -3.760
111 HE3 TRP 13 HE3 TRP 13 1.305 0.300 -5.731
112 HZ2 TRP 13 HZ2 TRP 13 1.254 5.215 -5.008
113 HZ3 TRP 13 HZ3 TRP 13 3.178 1.700 -6.553
114 HH2 TRP 13 HH2 TRP 13 3.158 4.152 -6.193
115 H GLU 14 H GLU 14 -0.699 0.867 -1.485
116 HA GLU 14 HA GLU 14 1.959 2.007 -1.810
117 HB2 GLU 14 HB2 GLU 14 -0.356 2.221 0.093
118 HB3 GLU 14 HB3 GLU 14 1.190 2.937 0.551
119 HG2 GLU 14 HG2 GLU 14 1.012 3.838 -1.994
120 HG3 GLU 14 HG3 GLU 14 -0.703 3.735 -1.594
121 H ASN 15 H ASN 15 0.478 -0.345 0.418
122 HA ASN 15 HA ASN 15 2.565 -0.698 2.284
123 HB2 ASN 15 HB2 ASN 15 0.177 -1.710 2.082
124 HB3 ASN 15 HB3 ASN 15 0.947 -2.964 1.110
125 HD21 ASN 15 HD21 ASN 15 2.899 -4.068 2.222
126 HD22 ASN 15 HD22 ASN 15 2.808 -4.294 3.901
127 H TRP 16 H TRP 16 2.138 -2.224 -0.932
128 HA TRP 16 HA TRP 16 4.545 -3.839 -0.779
129 HB2 TRP 16 HB2 TRP 16 2.982 -4.602 -2.339
130 HB3 TRP 16 HB3 TRP 16 2.552 -2.971 -2.854
131 HD1 TRP 16 HD1 TRP 16 5.477 -5.478 -3.156
132 HE1 TRP 16 HE1 TRP 16 6.713 -5.013 -5.369
133 HE3 TRP 16 HE3 TRP 16 2.927 -1.345 -4.738
134 HZ2 TRP 16 HZ2 TRP 16 6.635 -3.134 -7.522
135 HZ3 TRP 16 HZ3 TRP 16 3.530 -0.239 -6.871
136 HH2 TRP 16 HH2 TRP 16 5.379 -1.126 -8.264
137 H PHE 17 H PHE 17 3.762 -0.692 -2.298
138 HA PHE 17 HA PHE 17 6.254 -0.120 -3.511
139 HB2 PHE 17 HB2 PHE 17 4.150 1.160 -3.785
140 HB3 PHE 17 HB3 PHE 17 4.269 1.713 -2.115
141 HD1 PHE 17 HD1 PHE 17 5.992 1.791 -5.421
142 HD2 PHE 17 HD2 PHE 17 5.626 3.572 -1.528
143 HE1 PHE 17 HE1 PHE 17 7.443 3.669 -6.142
144 HE2 PHE 17 HE2 PHE 17 7.076 5.448 -2.249
145 HZ PHE 17 HZ PHE 17 7.985 5.497 -4.556
146 H TRP 18 H TRP 18 5.136 0.590 -0.182
147 HA TRP 18 HA TRP 18 7.655 1.769 0.664
148 HB2 TRP 18 HB2 TRP 18 5.215 0.667 2.089
149 HB3 TRP 18 HB3 TRP 18 6.547 1.448 2.938
150 HD1 TRP 18 HD1 TRP 18 3.310 2.315 1.853
151 HE1 TRP 18 HE1 TRP 18 3.074 4.805 1.222
152 HE3 TRP 18 HE3 TRP 18 8.238 3.575 1.390
153 HZ2 TRP 18 HZ2 TRP 18 4.757 7.033 0.607
154 HZ3 TRP 18 HZ3 TRP 18 8.893 5.887 0.782
155 HH2 TRP 18 HH2 TRP 18 7.159 7.615 0.391
156 H ASN 19 H ASN 19 6.210 -1.486 0.851
157 HA ASN 19 HA ASN 19 7.995 -2.763 2.627
158 HB2 ASN 19 HB2 ASN 19 6.036 -3.439 0.625
159 HB3 ASN 19 HB3 ASN 19 7.416 -4.521 0.458
160 HD21 ASN 19 HD21 ASN 19 4.668 -5.114 1.559
161 HD22 ASN 19 HD22 ASN 19 4.937 -5.714 3.124
162 H VAL 20 H VAL 20 8.371 -2.238 -0.898
163 HA VAL 20 HA VAL 20 11.033 -3.489 -0.904
164 HB VAL 20 HB VAL 20 10.940 -2.950 -3.313
165 HG11 VAL 20 HG11 VAL 20 8.160 -3.856 -2.662
166 HG12 VAL 20 HG12 VAL 20 9.520 -4.830 -2.103
167 HG13 VAL 20 HG13 VAL 20 9.310 -4.516 -3.826
168 HG21 VAL 20 HG21 VAL 20 9.818 -0.730 -3.066
169 HG22 VAL 20 HG22 VAL 20 8.320 -1.563 -2.655
170 HG23 VAL 20 HG23 VAL 20 9.025 -1.760 -4.258
171 H THR 21 H THR 21 9.712 -0.217 -0.751
172 HA THR 21 HA THR 21 12.251 1.093 -1.390
173 HB THR 21 HB THR 21 9.654 2.099 -0.180
174 HG1 THR 21 HG1 THR 21 9.054 1.617 -2.146
175 HG21 THR 21 HG21 THR 21 12.052 3.530 -1.346
176 HG22 THR 21 HG22 THR 21 11.375 3.708 0.273
177 HG23 THR 21 HG23 THR 21 10.483 4.304 -1.126
178 H LEU 22 H LEU 22 10.670 -0.063 1.515
179 HA LEU 22 HA LEU 22 12.499 1.470 3.284
180 HB2 LEU 22 HB2 LEU 22 10.182 -0.422 3.759
181 HB3 LEU 22 HB3 LEU 22 11.055 0.406 5.048
182 HG LEU 22 HG LEU 22 9.663 1.830 2.758
183 HD11 LEU 22 HD11 LEU 22 7.973 2.439 4.488
184 HD12 LEU 22 HD12 LEU 22 8.771 1.344 5.617
185 HD13 LEU 22 HD13 LEU 22 8.007 0.706 4.161
186 HD21 LEU 22 HD21 LEU 22 11.180 2.680 5.211
187 HD22 LEU 22 HD22 LEU 22 9.887 3.708 4.593
188 HD23 LEU 22 HD23 LEU 22 11.270 3.321 3.570
189 H ARG 23 H ARG 23 12.616 -1.468 1.639
190 HA ARG 23 HA ARG 23 13.519 -3.427 3.407
191 HB2 ARG 23 HB2 ARG 23 13.781 -2.744 0.584
192 HB3 ARG 23 HB3 ARG 23 15.206 -3.596 1.175
193 HG2 ARG 23 HG2 ARG 23 14.068 -5.542 1.505
194 HG3 ARG 23 HG3 ARG 23 12.623 -4.714 2.085
195 HD2 ARG 23 HD2 ARG 23 11.657 -5.009 0.062
196 HD3 ARG 23 HD3 ARG 23 12.958 -4.065 -0.692
197 HE ARG 23 HE ARG 23 13.071 -7.023 -0.234
198 HH11 ARG 23 HH11 ARG 23 15.718 -5.567 -0.443
199 HH12 ARG 23 HH12 ARG 23 16.067 -5.717 -2.134
200 HH21 ARG 23 HH21 ARG 23 12.813 -6.593 -2.992
201 HH22 ARG 23 HH22 ARG 23 14.415 -6.305 -3.583
202 HA PRO 24 HA PRO 24 18.000 -1.739 3.274
203 HB2 PRO 24 HB2 PRO 24 18.448 0.724 2.164
204 HB3 PRO 24 HB3 PRO 24 18.512 -0.784 1.230
205 HG2 PRO 24 HG2 PRO 24 16.336 1.237 1.412
206 HG3 PRO 24 HG3 PRO 24 16.908 0.316 0.013
207 HD2 PRO 24 HD2 PRO 24 14.649 -0.309 1.403
208 HD3 PRO 24 HD3 PRO 24 15.621 -1.504 0.518
209 H GLU 25 H GLU 25 17.630 -1.468 5.514
210 HA GLU 25 HA GLU 25 16.360 0.930 6.608
211 HB2 GLU 25 HB2 GLU 25 16.772 -0.173 8.719
212 HB3 GLU 25 HB3 GLU 25 16.331 -1.423 7.560
213 HG2 GLU 25 HG2 GLU 25 19.222 -0.875 7.631
214 HG3 GLU 25 HG3 GLU 25 18.583 -1.469 9.163
215 H ARG 26 H ARG 26 17.952 1.654 8.743
216 HA ARG 26 HA ARG 26 20.470 2.663 7.455
217 HB2 ARG 26 HB2 ARG 26 18.284 4.139 8.037
218 HB3 ARG 26 HB3 ARG 26 19.099 4.216 9.600
219 HG2 ARG 26 HG2 ARG 26 20.345 5.884 8.723
220 HG3 ARG 26 HG3 ARG 26 21.156 4.639 7.773
221 HD2 ARG 26 HD2 ARG 26 18.584 5.941 6.834
222 HD3 ARG 26 HD3 ARG 26 20.182 6.596 6.428
223 HE ARG 26 HE ARG 26 20.469 3.945 5.782
224 HH11 ARG 26 HH11 ARG 26 19.778 6.457 3.958
225 HH12 ARG 26 HH12 ARG 26 18.596 5.722 2.927
226 HH21 ARG 26 HH21 ARG 26 18.205 2.913 4.935
227 HH22 ARG 26 HH22 ARG 26 17.700 3.710 3.483
Start of MODEL 19
1 HA ARG 1 HA ARG 1 -19.924 2.997 -4.557
2 HB2 ARG 1 HB2 ARG 1 -19.861 5.235 -5.813
3 HB3 ARG 1 HB3 ARG 1 -18.175 5.353 -5.306
4 HG2 ARG 1 HG2 ARG 1 -17.805 3.070 -6.340
5 HG3 ARG 1 HG3 ARG 1 -19.430 3.190 -7.017
6 HD2 ARG 1 HD2 ARG 1 -18.019 4.010 -8.751
7 HD3 ARG 1 HD3 ARG 1 -18.623 5.484 -7.968
8 HE ARG 1 HE ARG 1 -16.491 5.623 -6.735
9 HH11 ARG 1 HH11 ARG 1 -15.693 5.598 -9.630
10 HH12 ARG 1 HH12 ARG 1 -14.438 4.405 -9.648
11 HH21 ARG 1 HH21 ARG 1 -15.309 3.057 -6.562
12 HH22 ARG 1 HH22 ARG 1 -14.220 2.963 -7.908
13 H SER 2 H SER 2 -18.297 1.485 -4.280
14 HA SER 2 HA SER 2 -16.433 0.428 -3.312
15 HB2 SER 2 HB2 SER 2 -15.325 3.217 -3.765
16 HB3 SER 2 HB3 SER 2 -14.356 1.768 -3.498
17 HG SER 2 HG SER 2 -15.134 0.925 -5.406
18 H ALA 3 H ALA 3 -14.819 2.967 -1.812
19 HA ALA 3 HA ALA 3 -14.689 3.779 0.397
20 HB1 ALA 3 HB1 ALA 3 -17.242 2.389 1.120
21 HB2 ALA 3 HB2 ALA 3 -17.315 3.705 -0.052
22 HB3 ALA 3 HB3 ALA 3 -16.681 4.000 1.566
23 H LEU 4 H LEU 4 -16.049 0.459 0.224
24 HA LEU 4 HA LEU 4 -14.073 -0.354 2.328
25 HB2 LEU 4 HB2 LEU 4 -16.856 -1.247 1.570
26 HB3 LEU 4 HB3 LEU 4 -15.806 -2.286 2.533
27 HG LEU 4 HG LEU 4 -16.097 0.571 3.373
28 HD11 LEU 4 HD11 LEU 4 -18.174 -1.587 3.859
29 HD12 LEU 4 HD12 LEU 4 -18.415 -0.099 2.943
30 HD13 LEU 4 HD13 LEU 4 -18.125 -0.028 4.681
31 HD21 LEU 4 HD21 LEU 4 -15.868 -2.085 4.827
32 HD22 LEU 4 HD22 LEU 4 -15.916 -0.507 5.612
33 HD23 LEU 4 HD23 LEU 4 -14.562 -0.929 4.564
34 H VAL 5 H VAL 5 -14.233 -0.347 -0.919
35 HA VAL 5 HA VAL 5 -13.199 -3.153 -1.213
36 HB VAL 5 HB VAL 5 -14.574 -1.268 -3.165
37 HG11 VAL 5 HG11 VAL 5 -12.867 -2.651 -4.297
38 HG12 VAL 5 HG12 VAL 5 -14.494 -3.168 -4.743
39 HG13 VAL 5 HG13 VAL 5 -13.563 -4.101 -3.573
40 HG21 VAL 5 HG21 VAL 5 -15.436 -3.905 -1.927
41 HG22 VAL 5 HG22 VAL 5 -16.360 -2.982 -3.113
42 HG23 VAL 5 HG23 VAL 5 -16.075 -2.315 -1.506
43 H ASN 6 H ASN 6 -12.827 0.198 -2.436
44 HA ASN 6 HA ASN 6 -10.190 -0.370 -3.597
45 HB2 ASN 6 HB2 ASN 6 -12.261 1.532 -3.863
46 HB3 ASN 6 HB3 ASN 6 -10.865 2.433 -3.270
47 HD21 ASN 6 HD21 ASN 6 -12.185 0.745 -6.031
48 HD22 ASN 6 HD22 ASN 6 -10.863 0.998 -7.065
49 H SER 7 H SER 7 -11.470 1.179 -0.656
50 HA SER 7 HA SER 7 -9.182 2.506 0.316
51 HB2 SER 7 HB2 SER 7 -11.478 1.015 1.578
52 HB3 SER 7 HB3 SER 7 -10.240 1.755 2.588
53 HG SER 7 HG SER 7 -12.248 2.998 1.811
54 H TYR 8 H TYR 8 -10.096 -0.928 0.809
55 HA TYR 8 HA TYR 8 -7.684 -1.624 2.256
56 HB2 TYR 8 HB2 TYR 8 -9.597 -2.993 2.568
57 HB3 TYR 8 HB3 TYR 8 -9.911 -3.095 0.837
58 HD1 TYR 8 HD1 TYR 8 -7.299 -3.988 3.377
59 HD2 TYR 8 HD2 TYR 8 -9.185 -4.975 -0.355
60 HE1 TYR 8 HE1 TYR 8 -5.963 -6.073 3.252
61 HE2 TYR 8 HE2 TYR 8 -7.850 -7.062 -0.476
62 HH TYR 8 HH TYR 8 -6.606 -8.572 1.686
63 H LEU 9 H LEU 9 -8.723 -1.954 -1.148
64 HA LEU 9 HA LEU 9 -6.448 -3.336 -2.164
65 HB2 LEU 9 HB2 LEU 9 -8.666 -1.624 -3.166
66 HB3 LEU 9 HB3 LEU 9 -7.286 -1.797 -4.246
67 HG LEU 9 HG LEU 9 -8.731 -4.130 -2.958
68 HD11 LEU 9 HD11 LEU 9 -10.227 -2.980 -4.518
69 HD12 LEU 9 HD12 LEU 9 -9.676 -4.495 -5.233
70 HD13 LEU 9 HD13 LEU 9 -8.965 -2.966 -5.752
71 HD21 LEU 9 HD21 LEU 9 -6.561 -4.853 -3.523
72 HD22 LEU 9 HD22 LEU 9 -6.492 -3.828 -4.956
73 HD23 LEU 9 HD23 LEU 9 -7.501 -5.275 -4.954
74 H TRP 10 H TRP 10 -7.085 0.166 -1.836
75 HA TRP 10 HA TRP 10 -4.671 1.113 -3.045
76 HB2 TRP 10 HB2 TRP 10 -6.442 2.646 -2.724
77 HB3 TRP 10 HB3 TRP 10 -6.684 2.153 -1.049
78 HD1 TRP 10 HD1 TRP 10 -4.030 3.957 -3.207
79 HE1 TRP 10 HE1 TRP 10 -2.816 5.674 -1.713
80 HE3 TRP 10 HE3 TRP 10 -6.245 2.940 1.274
81 HZ2 TRP 10 HZ2 TRP 10 -2.793 6.503 1.025
82 HZ3 TRP 10 HZ3 TRP 10 -5.612 4.205 3.307
83 HH2 TRP 10 HH2 TRP 10 -3.888 5.984 3.189
84 H GLN 11 H GLN 11 -5.451 0.390 0.389
85 HA GLN 11 HA GLN 11 -2.960 1.175 1.525
86 HB2 GLN 11 HB2 GLN 11 -5.140 -0.789 2.215
87 HB3 GLN 11 HB3 GLN 11 -3.699 -0.685 3.228
88 HG2 GLN 11 HG2 GLN 11 -4.106 1.830 3.332
89 HG3 GLN 11 HG3 GLN 11 -5.681 1.514 2.606
90 HE21 GLN 11 HE21 GLN 11 -7.032 -0.228 3.850
91 HE22 GLN 11 HE22 GLN 11 -6.931 -0.195 5.543
92 H ARG 12 H ARG 12 -3.984 -1.948 0.124
93 HA ARG 12 HA ARG 12 -1.612 -3.438 0.725
94 HB2 ARG 12 HB2 ARG 12 -4.019 -3.617 -0.956
95 HB3 ARG 12 HB3 ARG 12 -2.629 -4.451 -1.649
96 HG2 ARG 12 HG2 ARG 12 -2.961 -4.904 1.241
97 HG3 ARG 12 HG3 ARG 12 -4.297 -5.513 0.265
98 HD2 ARG 12 HD2 ARG 12 -3.010 -7.140 -0.713
99 HD3 ARG 12 HD3 ARG 12 -1.580 -6.092 -0.796
100 HE ARG 12 HE ARG 12 -2.270 -6.743 1.950
101 HH11 ARG 12 HH11 ARG 12 0.526 -6.511 0.855
102 HH12 ARG 12 HH12 ARG 12 1.064 -8.157 0.899
103 HH21 ARG 12 HH21 ARG 12 -2.138 -9.467 1.242
104 HH22 ARG 12 HH22 ARG 12 -0.451 -9.837 1.118
105 H TRP 13 H TRP 13 -2.481 -1.385 -2.071
106 HA TRP 13 HA TRP 13 -0.202 -1.979 -3.697
107 HB2 TRP 13 HB2 TRP 13 -1.507 -0.711 -5.038
108 HB3 TRP 13 HB3 TRP 13 -2.497 -0.256 -3.660
109 HD1 TRP 13 HD1 TRP 13 -2.565 2.224 -3.178
110 HE1 TRP 13 HE1 TRP 13 -1.076 4.261 -3.706
111 HE3 TRP 13 HE3 TRP 13 1.336 -0.111 -5.494
112 HZ2 TRP 13 HZ2 TRP 13 1.437 4.825 -4.950
113 HZ3 TRP 13 HZ3 TRP 13 3.263 1.197 -6.343
114 HH2 TRP 13 HH2 TRP 13 3.317 3.661 -6.074
115 H GLU 14 H GLU 14 -0.721 0.608 -1.268
116 HA GLU 14 HA GLU 14 1.945 1.725 -1.572
117 HB2 GLU 14 HB2 GLU 14 -0.359 1.960 0.353
118 HB3 GLU 14 HB3 GLU 14 1.182 2.733 0.731
119 HG2 GLU 14 HG2 GLU 14 0.906 3.517 -1.844
120 HG3 GLU 14 HG3 GLU 14 -0.793 3.385 -1.392
121 H ASN 15 H ASN 15 0.469 -0.704 0.565
122 HA ASN 15 HA ASN 15 2.499 -1.016 2.512
123 HB2 ASN 15 HB2 ASN 15 0.139 -2.160 2.051
124 HB3 ASN 15 HB3 ASN 15 1.133 -3.396 1.284
125 HD21 ASN 15 HD21 ASN 15 3.357 -3.587 2.934
126 HD22 ASN 15 HD22 ASN 15 2.891 -3.996 4.512
127 H TRP 16 H TRP 16 2.189 -2.608 -0.686
128 HA TRP 16 HA TRP 16 4.757 -3.971 -0.491
129 HB2 TRP 16 HB2 TRP 16 3.253 -5.039 -1.912
130 HB3 TRP 16 HB3 TRP 16 2.585 -3.523 -2.512
131 HD1 TRP 16 HD1 TRP 16 5.701 -5.755 -2.882
132 HE1 TRP 16 HE1 TRP 16 6.786 -5.264 -5.167
133 HE3 TRP 16 HE3 TRP 16 2.774 -1.866 -4.432
134 HZ2 TRP 16 HZ2 TRP 16 6.460 -3.459 -7.359
135 HZ3 TRP 16 HZ3 TRP 16 3.184 -0.782 -6.620
136 HH2 TRP 16 HH2 TRP 16 5.021 -1.572 -8.085
137 H PHE 17 H PHE 17 3.577 -1.011 -2.126
138 HA PHE 17 HA PHE 17 5.895 -0.296 -3.576
139 HB2 PHE 17 HB2 PHE 17 3.673 0.790 -3.709
140 HB3 PHE 17 HB3 PHE 17 3.902 1.454 -2.093
141 HD1 PHE 17 HD1 PHE 17 5.488 1.361 -5.485
142 HD2 PHE 17 HD2 PHE 17 4.963 3.533 -1.814
143 HE1 PHE 17 HE2 PHE 17 6.713 3.288 -6.449
144 HE2 PHE 17 HE1 PHE 17 6.189 5.459 -2.780
145 HZ PHE 17 HZ PHE 17 7.064 5.338 -5.098
146 H TRP 18 H TRP 18 5.022 0.590 -0.211
147 HA TRP 18 HA TRP 18 7.507 2.001 0.298
148 HB2 TRP 18 HB2 TRP 18 5.212 0.928 1.941
149 HB3 TRP 18 HB3 TRP 18 6.606 1.678 2.717
150 HD1 TRP 18 HD1 TRP 18 3.339 2.624 1.747
151 HE1 TRP 18 HE1 TRP 18 3.150 5.120 1.128
152 HE3 TRP 18 HE3 TRP 18 8.281 3.754 1.121
153 HZ2 TRP 18 HZ2 TRP 18 4.868 7.305 0.460
154 HZ3 TRP 18 HZ3 TRP 18 8.976 6.047 0.494
155 HH2 TRP 18 HH2 TRP 18 7.276 7.824 0.163
156 H ASN 19 H ASN 19 6.393 -1.339 0.791
157 HA ASN 19 HA ASN 19 8.448 -2.276 2.524
158 HB2 ASN 19 HB2 ASN 19 6.465 -3.365 0.619
159 HB3 ASN 19 HB3 ASN 19 7.850 -4.414 0.902
160 HD21 ASN 19 HD21 ASN 19 5.532 -5.456 1.859
161 HD22 ASN 19 HD22 ASN 19 5.410 -5.286 3.543
162 H VAL 20 H VAL 20 8.490 -1.695 -0.975
163 HA VAL 20 HA VAL 20 11.222 -2.882 -1.169
164 HB VAL 20 HB VAL 20 10.819 -2.673 -3.609
165 HG11 VAL 20 HG11 VAL 20 8.583 -3.934 -2.001
166 HG12 VAL 20 HG12 VAL 20 10.065 -4.713 -2.557
167 HG13 VAL 20 HG13 VAL 20 8.838 -4.219 -3.723
168 HG21 VAL 20 HG21 VAL 20 9.390 -0.587 -3.399
169 HG22 VAL 20 HG22 VAL 20 8.073 -1.628 -2.863
170 HG23 VAL 20 HG23 VAL 20 8.741 -1.818 -4.481
171 H THR 21 H THR 21 9.608 0.212 -1.036
172 HA THR 21 HA THR 21 11.869 1.683 -2.235
173 HB THR 21 HB THR 21 9.220 2.457 -0.981
174 HG1 THR 21 HG1 THR 21 8.694 2.879 -3.122
175 HG21 THR 21 HG21 THR 21 10.979 4.229 -0.672
176 HG22 THR 21 HG22 THR 21 9.638 4.734 -1.698
177 HG23 THR 21 HG23 THR 21 11.175 4.269 -2.424
178 H LEU 22 H LEU 22 10.659 0.863 0.966
179 HA LEU 22 HA LEU 22 12.353 2.837 2.337
180 HB2 LEU 22 HB2 LEU 22 10.574 0.548 3.208
181 HB3 LEU 22 HB3 LEU 22 11.458 1.553 4.354
182 HG LEU 22 HG LEU 22 9.476 2.595 2.306
183 HD11 LEU 22 HD11 LEU 22 9.258 1.944 5.246
184 HD12 LEU 22 HD12 LEU 22 8.185 1.462 3.931
185 HD13 LEU 22 HD13 LEU 22 8.198 3.134 4.489
186 HD21 LEU 22 HD21 LEU 22 11.083 4.306 2.785
187 HD22 LEU 22 HD22 LEU 22 11.104 3.902 4.502
188 HD23 LEU 22 HD23 LEU 22 9.682 4.668 3.792
189 H ARG 23 H ARG 23 12.649 -0.479 1.291
190 HA ARG 23 HA ARG 23 14.599 -1.451 3.121
191 HB2 ARG 23 HB2 ARG 23 13.265 -2.320 0.836
192 HB3 ARG 23 HB3 ARG 23 14.959 -2.318 0.345
193 HG2 ARG 23 HG2 ARG 23 14.724 -4.445 1.295
194 HG3 ARG 23 HG3 ARG 23 15.365 -3.503 2.641
195 HD2 ARG 23 HD2 ARG 23 12.908 -3.075 3.304
196 HD3 ARG 23 HD3 ARG 23 12.507 -4.391 2.181
197 HE ARG 23 HE ARG 23 14.052 -4.671 4.692
198 HH11 ARG 23 HH11 ARG 23 11.701 -6.318 3.369
199 HH12 ARG 23 HH12 ARG 23 12.528 -7.816 3.098
200 HH21 ARG 23 HH21 ARG 23 15.690 -6.469 3.626
201 HH22 ARG 23 HH22 ARG 23 14.796 -7.902 3.245
202 HA PRO 24 HA PRO 24 18.003 0.342 0.386
203 HB2 PRO 24 HB2 PRO 24 17.400 1.596 -1.965
204 HB3 PRO 24 HB3 PRO 24 17.578 -0.163 -1.825
205 HG2 PRO 24 HG2 PRO 24 15.155 1.447 -2.178
206 HG3 PRO 24 HG3 PRO 24 15.441 -0.259 -2.538
207 HD2 PRO 24 HD2 PRO 24 14.087 0.852 -0.285
208 HD3 PRO 24 HD3 PRO 24 14.419 -0.857 -0.625
209 H GLU 25 H GLU 25 15.822 1.984 1.944
210 HA GLU 25 HA GLU 25 15.628 4.163 2.803
211 HB2 GLU 25 HB2 GLU 25 18.386 3.660 2.074
212 HB3 GLU 25 HB3 GLU 25 18.007 5.371 1.875
213 HG2 GLU 25 HG2 GLU 25 16.988 4.065 4.348
214 HG3 GLU 25 HG3 GLU 25 18.731 4.313 4.249
215 H ARG 26 H ARG 26 16.004 6.632 1.983
216 HA ARG 26 HA ARG 26 15.565 6.960 -0.918
217 HB2 ARG 26 HB2 ARG 26 13.397 6.206 0.245
218 HB3 ARG 26 HB3 ARG 26 13.403 7.784 1.033
219 HG2 ARG 26 HG2 ARG 26 13.808 7.772 -1.916
220 HG3 ARG 26 HG3 ARG 26 12.194 7.353 -1.343
221 HD2 ARG 26 HD2 ARG 26 13.678 9.828 -0.393
222 HD3 ARG 26 HD3 ARG 26 12.545 9.839 -1.759
223 HE ARG 26 HE ARG 26 11.818 9.215 1.067
224 HH11 ARG 26 HH11 ARG 26 10.233 7.699 -1.035
225 HH12 ARG 26 HH12 ARG 26 8.876 8.751 -1.268
226 HH21 ARG 26 HH21 ARG 26 10.399 11.478 0.258
227 HH22 ARG 26 HH22 ARG 26 8.970 10.899 -0.531
Start of MODEL 20
1 HA ARG 1 HA ARG 1 -19.285 -0.554 -5.473
2 HB2 ARG 1 HB2 ARG 1 -17.404 1.671 -6.103
3 HB3 ARG 1 HB3 ARG 1 -16.747 0.332 -5.162
4 HG2 ARG 1 HG2 ARG 1 -16.511 -0.802 -7.095
5 HG3 ARG 1 HG3 ARG 1 -18.270 -0.890 -7.179
6 HD2 ARG 1 HD2 ARG 1 -18.194 0.395 -9.044
7 HD3 ARG 1 HD3 ARG 1 -17.538 1.721 -8.062
8 HE ARG 1 HE ARG 1 -15.859 -0.349 -9.431
9 HH11 ARG 1 HH11 ARG 1 -14.575 0.958 -7.057
10 HH12 ARG 1 HH12 ARG 1 -13.760 2.305 -7.780
11 HH21 ARG 1 HH21 ARG 1 -15.568 2.146 -10.743
12 HH22 ARG 1 HH22 ARG 1 -14.325 2.981 -9.874
13 H SER 2 H SER 2 -17.987 -1.290 -3.517
14 HA SER 2 HA SER 2 -19.022 0.002 -1.094
15 HB2 SER 2 HB2 SER 2 -18.347 -2.558 -1.898
16 HB3 SER 2 HB3 SER 2 -17.019 -2.134 -0.822
17 HG SER 2 HG SER 2 -18.372 -2.513 0.730
18 H ALA 3 H ALA 3 -17.826 1.157 0.414
19 HA ALA 3 HA ALA 3 -15.358 2.430 -0.434
20 HB1 ALA 3 HB1 ALA 3 -17.083 3.508 0.952
21 HB2 ALA 3 HB2 ALA 3 -15.544 3.476 1.813
22 HB3 ALA 3 HB3 ALA 3 -16.811 2.323 2.230
23 H LEU 4 H LEU 4 -16.078 -0.437 1.460
24 HA LEU 4 HA LEU 4 -13.424 -0.547 2.722
25 HB2 LEU 4 HB2 LEU 4 -16.031 -1.871 2.876
26 HB3 LEU 4 HB3 LEU 4 -14.695 -3.012 3.002
27 HG LEU 4 HG LEU 4 -15.440 -2.060 5.211
28 HD11 LEU 4 HD11 LEU 4 -13.240 -1.887 6.060
29 HD12 LEU 4 HD12 LEU 4 -12.629 -1.164 4.572
30 HD13 LEU 4 HD13 LEU 4 -13.060 -2.874 4.610
31 HD21 LEU 4 HD21 LEU 4 -15.105 0.225 5.737
32 HD22 LEU 4 HD22 LEU 4 -15.828 0.263 4.128
33 HD23 LEU 4 HD23 LEU 4 -14.090 0.492 4.319
34 H VAL 5 H VAL 5 -14.271 -1.018 -0.415
35 HA VAL 5 HA VAL 5 -12.659 -3.502 -0.800
36 HB VAL 5 HB VAL 5 -14.464 -1.864 -2.618
37 HG11 VAL 5 HG11 VAL 5 -14.248 -3.975 -4.075
38 HG12 VAL 5 HG12 VAL 5 -12.829 -4.361 -3.102
39 HG13 VAL 5 HG13 VAL 5 -12.866 -2.878 -4.058
40 HG21 VAL 5 HG21 VAL 5 -14.887 -4.686 -1.624
41 HG22 VAL 5 HG22 VAL 5 -16.077 -3.576 -2.306
42 HG23 VAL 5 HG23 VAL 5 -15.432 -3.294 -0.689
43 H ASN 6 H ASN 6 -12.918 -0.164 -2.115
44 HA ASN 6 HA ASN 6 -10.382 -0.321 -3.535
45 HB2 ASN 6 HB2 ASN 6 -12.369 1.119 -4.109
46 HB3 ASN 6 HB3 ASN 6 -12.010 2.097 -2.685
47 HD21 ASN 6 HD21 ASN 6 -10.720 1.121 -5.871
48 HD22 ASN 6 HD22 ASN 6 -9.601 2.392 -5.986
49 H SER 7 H SER 7 -11.414 1.127 -0.415
50 HA SER 7 HA SER 7 -9.030 2.492 0.271
51 HB2 SER 7 HB2 SER 7 -11.179 1.047 1.822
52 HB3 SER 7 HB3 SER 7 -9.840 1.825 2.660
53 HG SER 7 HG SER 7 -11.956 3.019 2.007
54 H TYR 8 H TYR 8 -9.931 -0.892 1.082
55 HA TYR 8 HA TYR 8 -7.412 -1.622 2.245
56 HB2 TYR 8 HB2 TYR 8 -9.295 -3.008 2.671
57 HB3 TYR 8 HB3 TYR 8 -9.730 -3.086 0.963
58 HD1 TYR 8 HD1 TYR 8 -6.943 -4.001 3.304
59 HD2 TYR 8 HD2 TYR 8 -9.066 -4.935 -0.312
60 HE1 TYR 8 HE2 TYR 8 -5.592 -6.062 3.044
61 HE2 TYR 8 HE1 TYR 8 -7.711 -6.997 -0.573
62 HH TYR 8 HH TYR 8 -6.274 -8.527 1.499
63 H LEU 9 H LEU 9 -8.683 -1.892 -1.088
64 HA LEU 9 HA LEU 9 -6.492 -3.267 -2.281
65 HB2 LEU 9 HB2 LEU 9 -8.746 -1.508 -3.101
66 HB3 LEU 9 HB3 LEU 9 -7.432 -1.652 -4.266
67 HG LEU 9 HG LEU 9 -8.844 -4.008 -2.980
68 HD11 LEU 9 HD11 LEU 9 -10.330 -2.718 -4.493
69 HD12 LEU 9 HD12 LEU 9 -9.934 -4.300 -5.162
70 HD13 LEU 9 HD13 LEU 9 -9.127 -2.856 -5.775
71 HD21 LEU 9 HD21 LEU 9 -7.695 -5.106 -5.062
72 HD22 LEU 9 HD22 LEU 9 -6.718 -4.767 -3.633
73 HD23 LEU 9 HD23 LEU 9 -6.652 -3.684 -5.024
74 H TRP 10 H TRP 10 -7.072 0.234 -1.863
75 HA TRP 10 HA TRP 10 -4.664 1.143 -3.140
76 HB2 TRP 10 HB2 TRP 10 -6.318 2.763 -2.864
77 HB3 TRP 10 HB3 TRP 10 -6.749 2.194 -1.254
78 HD1 TRP 10 HD1 TRP 10 -3.610 3.784 -2.898
79 HE1 TRP 10 HE1 TRP 10 -2.640 5.508 -1.245
80 HE3 TRP 10 HE3 TRP 10 -6.889 3.229 0.975
81 HZ2 TRP 10 HZ2 TRP 10 -3.188 6.520 1.376
82 HZ3 TRP 10 HZ3 TRP 10 -6.645 4.585 3.035
83 HH2 TRP 10 HH2 TRP 10 -4.800 6.228 3.240
84 H GLN 11 H GLN 11 -5.439 0.398 0.280
85 HA GLN 11 HA GLN 11 -2.936 1.174 1.425
86 HB2 GLN 11 HB2 GLN 11 -5.014 -0.910 2.165
87 HB3 GLN 11 HB3 GLN 11 -3.679 -0.459 3.226
88 HG2 GLN 11 HG2 GLN 11 -5.473 1.668 2.076
89 HG3 GLN 11 HG3 GLN 11 -5.981 0.760 3.500
90 HE21 GLN 11 HE21 GLN 11 -3.479 2.992 2.279
91 HE22 GLN 11 HE22 GLN 11 -2.911 3.452 3.811
92 H ARG 12 H ARG 12 -4.000 -1.923 -0.009
93 HA ARG 12 HA ARG 12 -1.661 -3.451 0.655
94 HB2 ARG 12 HB2 ARG 12 -4.085 -3.978 -0.383
95 HB3 ARG 12 HB3 ARG 12 -3.161 -3.934 -1.885
96 HG2 ARG 12 HG2 ARG 12 -2.078 -5.499 0.435
97 HG3 ARG 12 HG3 ARG 12 -3.385 -6.193 -0.524
98 HD2 ARG 12 HD2 ARG 12 -1.096 -5.013 -2.039
99 HD3 ARG 12 HD3 ARG 12 -0.808 -6.551 -1.204
100 HE ARG 12 HE ARG 12 -2.408 -7.592 -2.631
101 HH11 ARG 12 HH11 ARG 12 -1.329 -5.371 -4.525
102 HH12 ARG 12 HH12 ARG 12 -2.816 -4.815 -5.218
103 HH21 ARG 12 HH21 ARG 12 -4.811 -6.354 -2.825
104 HH22 ARG 12 HH22 ARG 12 -4.792 -5.371 -4.251
105 H TRP 13 H TRP 13 -2.439 -1.351 -2.128
106 HA TRP 13 HA TRP 13 -0.123 -2.018 -3.705
107 HB2 TRP 13 HB2 TRP 13 -1.344 -0.754 -5.129
108 HB3 TRP 13 HB3 TRP 13 -2.432 -0.342 -3.812
109 HD1 TRP 13 HD1 TRP 13 -2.611 2.129 -3.316
110 HE1 TRP 13 HE1 TRP 13 -1.164 4.219 -3.734
111 HE3 TRP 13 HE3 TRP 13 1.499 -0.048 -5.422
112 HZ2 TRP 13 HZ2 TRP 13 1.398 4.882 -4.818
113 HZ3 TRP 13 HZ3 TRP 13 3.427 1.336 -6.139
114 HH2 TRP 13 HH2 TRP 13 3.380 3.795 -5.840
115 H GLU 14 H GLU 14 -0.739 0.635 -1.371
116 HA GLU 14 HA GLU 14 1.900 1.797 -1.586
117 HB2 GLU 14 HB2 GLU 14 -0.423 1.919 0.331
118 HB3 GLU 14 HB3 GLU 14 1.090 2.738 0.724
119 HG2 GLU 14 HG2 GLU 14 0.741 3.504 -1.879
120 HG3 GLU 14 HG3 GLU 14 -0.930 3.403 -1.326
121 H ASN 15 H ASN 15 0.473 -0.710 0.493
122 HA ASN 15 HA ASN 15 2.526 -0.987 2.431
123 HB2 ASN 15 HB2 ASN 15 0.482 -2.181 2.705
124 HB3 ASN 15 HB3 ASN 15 0.584 -2.885 1.092
125 HD21 ASN 15 HD21 ASN 15 3.151 -2.737 3.625
126 HD22 ASN 15 HD22 ASN 15 3.332 -4.421 3.742
127 H TRP 16 H TRP 16 2.155 -2.739 -0.687
128 HA TRP 16 HA TRP 16 4.725 -4.039 -0.579
129 HB2 TRP 16 HB2 TRP 16 3.157 -4.993 -2.043
130 HB3 TRP 16 HB3 TRP 16 2.630 -3.425 -2.654
131 HD1 TRP 16 HD1 TRP 16 5.500 -5.948 -2.962
132 HE1 TRP 16 HE1 TRP 16 6.783 -5.474 -5.145
133 HE3 TRP 16 HE3 TRP 16 3.169 -1.647 -4.441
134 HZ2 TRP 16 HZ2 TRP 16 6.821 -3.532 -7.240
135 HZ3 TRP 16 HZ3 TRP 16 3.852 -0.509 -6.534
136 HH2 TRP 16 HH2 TRP 16 5.672 -1.444 -7.934
137 H PHE 17 H PHE 17 3.587 -1.013 -2.104
138 HA PHE 17 HA PHE 17 5.924 -0.255 -3.497
139 HB2 PHE 17 HB2 PHE 17 3.824 0.917 -3.731
140 HB3 PHE 17 HB3 PHE 17 3.793 1.318 -2.016
141 HD1 PHE 17 HD1 PHE 17 5.982 1.749 -5.037
142 HD2 PHE 17 HD2 PHE 17 4.566 3.409 -1.337
143 HE1 PHE 17 HE1 PHE 17 7.236 3.838 -5.493
144 HE2 PHE 17 HE2 PHE 17 5.820 5.497 -1.795
145 HZ PHE 17 HZ PHE 17 7.155 5.713 -3.872
146 H TRP 18 H TRP 18 4.982 0.796 -0.189
147 HA TRP 18 HA TRP 18 7.516 1.997 0.437
148 HB2 TRP 18 HB2 TRP 18 5.186 0.931 2.046
149 HB3 TRP 18 HB3 TRP 18 6.571 1.702 2.817
150 HD1 TRP 18 HD1 TRP 18 3.304 2.628 1.921
151 HE1 TRP 18 HE1 TRP 18 3.087 5.106 1.243
152 HE3 TRP 18 HE3 TRP 18 8.217 3.748 1.080
153 HZ2 TRP 18 HZ2 TRP 18 4.773 7.274 0.451
154 HZ3 TRP 18 HZ3 TRP 18 8.881 6.025 0.365
155 HH2 TRP 18 HH2 TRP 18 7.166 7.788 0.050
156 H ASN 19 H ASN 19 6.277 -1.314 0.789
157 HA ASN 19 HA ASN 19 8.215 -2.421 2.534
158 HB2 ASN 19 HB2 ASN 19 6.113 -3.460 1.590
159 HB3 ASN 19 HB3 ASN 19 6.982 -3.705 0.076
160 HD21 ASN 19 HD21 ASN 19 8.866 -5.208 0.128
161 HD22 ASN 19 HD22 ASN 19 8.980 -6.377 1.353
162 H VAL 20 H VAL 20 8.430 -1.736 -0.961
163 HA VAL 20 HA VAL 20 11.232 -2.789 -0.982
164 HB VAL 20 HB VAL 20 10.920 -2.693 -3.460
165 HG11 VAL 20 HG11 VAL 20 9.439 -4.575 -3.596
166 HG12 VAL 20 HG12 VAL 20 8.594 -4.096 -2.124
167 HG13 VAL 20 HG13 VAL 20 10.253 -4.687 -2.036
168 HG21 VAL 20 HG21 VAL 20 9.006 -1.870 -4.474
169 HG22 VAL 20 HG22 VAL 20 9.093 -0.790 -3.084
170 HG23 VAL 20 HG23 VAL 20 7.998 -2.172 -3.061
171 H THR 21 H THR 21 9.534 0.173 -0.762
172 HA THR 21 HA THR 21 11.626 1.765 -2.133
173 HB THR 21 HB THR 21 9.027 2.463 -0.726
174 HG1 THR 21 HG1 THR 21 8.487 1.529 -2.584
175 HG21 THR 21 HG21 THR 21 10.621 4.346 -0.662
176 HG22 THR 21 HG22 THR 21 9.285 4.683 -1.764
177 HG23 THR 21 HG23 THR 21 10.857 4.204 -2.404
178 H LEU 22 H LEU 22 10.454 1.052 1.127
179 HA LEU 22 HA LEU 22 12.195 3.040 2.408
180 HB2 LEU 22 HB2 LEU 22 10.480 0.761 3.438
181 HB3 LEU 22 HB3 LEU 22 11.291 1.930 4.477
182 HG LEU 22 HG LEU 22 9.300 2.670 2.313
183 HD11 LEU 22 HD11 LEU 22 8.166 1.430 4.078
184 HD12 LEU 22 HD12 LEU 22 7.780 3.142 4.242
185 HD13 LEU 22 HD13 LEU 22 8.966 2.400 5.315
186 HD21 LEU 22 HD21 LEU 22 9.329 4.788 3.908
187 HD22 LEU 22 HD22 LEU 22 10.561 4.596 2.661
188 HD23 LEU 22 HD23 LEU 22 10.927 4.178 4.335
189 H ARG 23 H ARG 23 12.479 -0.275 1.406
190 HA ARG 23 HA ARG 23 14.440 -1.213 3.266
191 HB2 ARG 23 HB2 ARG 23 12.984 -2.244 1.201
192 HB3 ARG 23 HB3 ARG 23 14.581 -2.156 0.459
193 HG2 ARG 23 HG2 ARG 23 14.386 -3.262 3.230
194 HG3 ARG 23 HG3 ARG 23 13.844 -4.277 1.893
195 HD2 ARG 23 HD2 ARG 23 15.973 -4.451 0.979
196 HD3 ARG 23 HD3 ARG 23 16.491 -2.884 1.630
197 HE ARG 23 HE ARG 23 16.954 -3.936 3.722
198 HH11 ARG 23 HH11 ARG 23 17.923 -6.256 2.164
199 HH12 ARG 23 HH12 ARG 23 17.013 -7.573 2.821
200 HH21 ARG 23 HH21 ARG 23 14.629 -5.526 4.309
201 HH22 ARG 23 HH22 ARG 23 15.140 -7.159 4.042
202 HA PRO 24 HA PRO 24 17.790 0.270 0.225
203 HB2 PRO 24 HB2 PRO 24 17.088 1.753 -1.960
204 HB3 PRO 24 HB3 PRO 24 17.125 -0.020 -1.972
205 HG2 PRO 24 HG2 PRO 24 14.813 1.822 -1.808
206 HG3 PRO 24 HG3 PRO 24 14.939 0.228 -2.563
207 HD2 PRO 24 HD2 PRO 24 13.759 0.757 -0.111
208 HD3 PRO 24 HD3 PRO 24 14.302 -0.836 -0.671
209 H GLU 25 H GLU 25 16.800 1.684 2.411
210 HA GLU 25 HA GLU 25 17.885 4.361 1.974
211 HB2 GLU 25 HB2 GLU 25 15.124 3.868 1.505
212 HB3 GLU 25 HB3 GLU 25 15.222 4.746 3.031
213 HG2 GLU 25 HG2 GLU 25 16.737 5.638 0.569
214 HG3 GLU 25 HG3 GLU 25 15.090 6.175 0.903
215 H ARG 26 H ARG 26 17.994 5.565 4.049
216 HA ARG 26 HA ARG 26 17.317 4.030 6.507
217 HB2 ARG 26 HB2 ARG 26 19.808 3.877 5.278
218 HB3 ARG 26 HB3 ARG 26 20.050 5.097 6.526
219 HG2 ARG 26 HG2 ARG 26 18.648 2.507 7.166
220 HG3 ARG 26 HG3 ARG 26 20.409 2.600 7.164
221 HD2 ARG 26 HD2 ARG 26 20.461 4.117 8.964
222 HD3 ARG 26 HD3 ARG 26 18.784 4.633 8.696
223 HE ARG 26 HE ARG 26 19.518 1.904 9.703
224 HH11 ARG 26 HH11 ARG 26 18.652 3.830 11.765
225 HH12 ARG 26 HH12 ARG 26 16.942 3.570 11.851
226 HH21 ARG 26 HH21 ARG 26 16.780 1.905 8.803
227 HH22 ARG 26 HH22 ARG 26 15.877 2.475 10.166
Start of MODEL 21
1 HA ARG 1 HA ARG 1 -13.720 7.670 -2.572
2 HB2 ARG 1 HB2 ARG 1 -12.251 9.622 -1.199
3 HB3 ARG 1 HB3 ARG 1 -12.041 8.163 -0.231
4 HG2 ARG 1 HG2 ARG 1 -11.554 6.984 -2.489
5 HG3 ARG 1 HG3 ARG 1 -11.330 8.612 -3.128
6 HD2 ARG 1 HD2 ARG 1 -9.844 8.711 -0.801
7 HD3 ARG 1 HD3 ARG 1 -9.566 7.048 -1.358
8 HE ARG 1 HE ARG 1 -8.789 9.502 -2.802
9 HH11 ARG 1 HH11 ARG 1 -6.962 7.178 -2.531
10 HH12 ARG 1 HH12 ARG 1 -7.073 6.421 -4.084
11 HH21 ARG 1 HH21 ARG 1 -10.001 8.077 -4.967
12 HH22 ARG 1 HH22 ARG 1 -8.802 6.934 -5.471
13 H SER 2 H SER 2 -14.231 5.604 -1.908
14 HA SER 2 HA SER 2 -15.758 5.176 0.541
15 HB2 SER 2 HB2 SER 2 -15.958 3.996 -1.729
16 HB3 SER 2 HB3 SER 2 -14.505 3.106 -1.282
17 HG SER 2 HG SER 2 -17.084 2.831 -0.410
18 H ALA 3 H ALA 3 -15.072 3.996 2.394
19 HA ALA 3 HA ALA 3 -12.101 3.821 2.732
20 HB1 ALA 3 HB1 ALA 3 -14.407 4.155 4.674
21 HB2 ALA 3 HB2 ALA 3 -13.244 5.392 4.195
22 HB3 ALA 3 HB3 ALA 3 -12.718 4.015 5.162
23 H LEU 4 H LEU 4 -14.798 1.809 2.256
24 HA LEU 4 HA LEU 4 -13.480 -0.437 3.745
25 HB2 LEU 4 HB2 LEU 4 -16.276 0.483 3.373
26 HB3 LEU 4 HB3 LEU 4 -16.036 -1.263 3.318
27 HG LEU 4 HG LEU 4 -14.923 0.479 5.530
28 HD11 LEU 4 HD11 LEU 4 -17.418 0.588 5.448
29 HD12 LEU 4 HD12 LEU 4 -16.820 -0.232 6.890
30 HD13 LEU 4 HD13 LEU 4 -17.468 -1.172 5.546
31 HD21 LEU 4 HD21 LEU 4 -13.763 -1.575 5.502
32 HD22 LEU 4 HD22 LEU 4 -15.196 -2.482 5.021
33 HD23 LEU 4 HD23 LEU 4 -15.057 -1.863 6.665
34 H VAL 5 H VAL 5 -14.049 0.747 0.628
35 HA VAL 5 HA VAL 5 -14.018 -2.015 -0.548
36 HB VAL 5 HB VAL 5 -14.928 0.653 -1.690
37 HG11 VAL 5 HG11 VAL 5 -15.880 -0.786 -3.507
38 HG12 VAL 5 HG12 VAL 5 -15.038 -2.167 -2.805
39 HG13 VAL 5 HG13 VAL 5 -14.117 -0.812 -3.459
40 HG21 VAL 5 HG21 VAL 5 -16.518 -0.035 -0.045
41 HG22 VAL 5 HG22 VAL 5 -16.404 -1.725 -0.536
42 HG23 VAL 5 HG23 VAL 5 -17.190 -0.551 -1.592
43 H ASN 6 H ASN 6 -12.839 1.315 -1.215
44 HA ASN 6 HA ASN 6 -10.664 0.277 -2.908
45 HB2 ASN 6 HB2 ASN 6 -11.687 2.978 -2.034
46 HB3 ASN 6 HB3 ASN 6 -10.184 2.825 -2.943
47 HD21 ASN 6 HD21 ASN 6 -10.575 1.084 -4.928
48 HD22 ASN 6 HD22 ASN 6 -11.953 1.433 -5.855
49 H SER 7 H SER 7 -11.052 0.994 0.455
50 HA SER 7 HA SER 7 -8.419 1.931 1.106
51 HB2 SER 7 HB2 SER 7 -10.780 0.752 2.452
52 HB3 SER 7 HB3 SER 7 -9.255 0.525 3.302
53 HG SER 7 HG SER 7 -10.432 2.525 3.757
54 H TYR 8 H TYR 8 -9.772 -1.389 1.417
55 HA TYR 8 HA TYR 8 -7.203 -2.631 1.893
56 HB2 TYR 8 HB2 TYR 8 -9.363 -3.545 2.631
57 HB3 TYR 8 HB3 TYR 8 -9.880 -3.717 0.955
58 HD1 TYR 8 HD1 TYR 8 -6.913 -4.635 3.071
59 HD2 TYR 8 HD2 TYR 8 -9.695 -5.837 0.027
60 HE1 TYR 8 HE2 TYR 8 -5.833 -6.863 2.966
61 HE2 TYR 8 HE1 TYR 8 -8.614 -8.065 -0.080
62 HH TYR 8 HH TYR 8 -6.874 -9.369 2.110
63 H LEU 9 H LEU 9 -8.727 -1.537 -1.015
64 HA LEU 9 HA LEU 9 -7.226 -3.431 -2.739
65 HB2 LEU 9 HB2 LEU 9 -9.587 -1.683 -2.885
66 HB3 LEU 9 HB3 LEU 9 -8.600 -1.643 -4.344
67 HG LEU 9 HG LEU 9 -10.401 -3.425 -4.327
68 HD11 LEU 9 HD11 LEU 9 -8.796 -5.252 -5.081
69 HD12 LEU 9 HD12 LEU 9 -7.483 -4.185 -4.584
70 HD13 LEU 9 HD13 LEU 9 -8.585 -3.688 -5.867
71 HD21 LEU 9 HD21 LEU 9 -8.609 -5.007 -2.508
72 HD22 LEU 9 HD22 LEU 9 -10.322 -5.234 -2.860
73 HD23 LEU 9 HD23 LEU 9 -9.807 -3.921 -1.805
74 H TRP 10 H TRP 10 -7.173 -0.025 -1.752
75 HA TRP 10 HA TRP 10 -5.048 0.568 -3.760
76 HB2 TRP 10 HB2 TRP 10 -6.971 2.089 -3.550
77 HB3 TRP 10 HB3 TRP 10 -6.637 2.298 -1.832
78 HD1 TRP 10 HD1 TRP 10 -4.270 2.439 -4.896
79 HE1 TRP 10 HE1 TRP 10 -2.948 4.648 -4.784
80 HE3 TRP 10 HE3 TRP 10 -6.381 4.520 -0.736
81 HZ2 TRP 10 HZ2 TRP 10 -2.809 6.991 -3.151
82 HZ3 TRP 10 HZ3 TRP 10 -5.636 6.741 0.073
83 HH2 TRP 10 HH2 TRP 10 -3.854 7.978 -1.129
84 H GLN 11 H GLN 11 -5.598 0.875 -0.210
85 HA GLN 11 HA GLN 11 -3.034 1.809 0.526
86 HB2 GLN 11 HB2 GLN 11 -5.393 0.851 1.752
87 HB3 GLN 11 HB3 GLN 11 -4.080 -0.106 2.433
88 HG2 GLN 11 HG2 GLN 11 -3.756 1.658 3.819
89 HG3 GLN 11 HG3 GLN 11 -3.018 2.444 2.424
90 HE21 GLN 11 HE21 GLN 11 -6.205 2.030 4.053
91 HE22 GLN 11 HE22 GLN 11 -6.835 3.515 3.522
92 H ARG 12 H ARG 12 -4.072 -1.500 -0.245
93 HA ARG 12 HA ARG 12 -1.802 -2.929 0.744
94 HB2 ARG 12 HB2 ARG 12 -3.963 -3.302 -1.288
95 HB3 ARG 12 HB3 ARG 12 -2.583 -4.396 -1.378
96 HG2 ARG 12 HG2 ARG 12 -3.117 -4.367 1.326
97 HG3 ARG 12 HG3 ARG 12 -4.733 -4.256 0.628
98 HD2 ARG 12 HD2 ARG 12 -2.846 -6.259 -0.561
99 HD3 ARG 12 HD3 ARG 12 -3.580 -6.635 1.009
100 HE ARG 12 HE ARG 12 -5.783 -5.861 -0.296
101 HH11 ARG 12 HH11 ARG 12 -4.414 -5.998 -2.948
102 HH12 ARG 12 HH12 ARG 12 -4.751 -7.619 -3.458
103 HH21 ARG 12 HH21 ARG 12 -5.665 -8.703 -0.282
104 HH22 ARG 12 HH22 ARG 12 -5.467 -9.155 -1.942
105 H TRP 13 H TRP 13 -2.371 -1.256 -2.355
106 HA TRP 13 HA TRP 13 -0.037 -2.120 -3.746
107 HB2 TRP 13 HB2 TRP 13 -1.125 -0.877 -5.298
108 HB3 TRP 13 HB3 TRP 13 -2.226 -0.316 -4.051
109 HD1 TRP 13 HD1 TRP 13 -2.255 2.181 -3.678
110 HE1 TRP 13 HE1 TRP 13 -0.679 4.153 -4.187
111 HE3 TRP 13 HE3 TRP 13 1.747 -0.355 -5.580
112 HZ2 TRP 13 HZ2 TRP 13 1.936 4.599 -5.255
113 HZ3 TRP 13 HZ3 TRP 13 3.768 0.869 -6.333
114 HH2 TRP 13 HH2 TRP 13 3.866 3.339 -6.172
115 H GLU 14 H GLU 14 -0.543 0.710 -1.608
116 HA GLU 14 HA GLU 14 2.165 1.702 -1.832
117 HB2 GLU 14 HB2 GLU 14 -0.192 2.091 0.002
118 HB3 GLU 14 HB3 GLU 14 1.358 2.835 0.396
119 HG2 GLU 14 HG2 GLU 14 1.343 3.721 -2.028
120 HG3 GLU 14 HG3 GLU 14 -0.366 3.286 -2.038
121 H ASN 15 H ASN 15 0.536 -0.555 0.386
122 HA ASN 15 HA ASN 15 2.493 -0.825 2.403
123 HB2 ASN 15 HB2 ASN 15 0.115 -1.916 1.938
124 HB3 ASN 15 HB3 ASN 15 1.085 -3.224 1.262
125 HD21 ASN 15 HD21 ASN 15 3.161 -3.647 2.886
126 HD22 ASN 15 HD22 ASN 15 2.700 -3.851 4.506
127 H TRP 16 H TRP 16 2.230 -2.628 -0.690
128 HA TRP 16 HA TRP 16 4.737 -4.047 -0.365
129 HB2 TRP 16 HB2 TRP 16 3.210 -5.037 -1.851
130 HB3 TRP 16 HB3 TRP 16 2.755 -3.491 -2.565
131 HD1 TRP 16 HD1 TRP 16 5.635 -6.038 -2.558
132 HE1 TRP 16 HE1 TRP 16 7.000 -5.738 -4.722
133 HE3 TRP 16 HE3 TRP 16 3.326 -1.912 -4.494
134 HZ2 TRP 16 HZ2 TRP 16 7.102 -3.982 -6.974
135 HZ3 TRP 16 HZ3 TRP 16 4.079 -0.950 -6.649
136 HH2 TRP 16 HH2 TRP 16 5.963 -1.978 -7.892
137 H PHE 17 H PHE 17 3.765 -1.094 -2.132
138 HA PHE 17 HA PHE 17 6.214 -0.486 -3.417
139 HB2 PHE 17 HB2 PHE 17 4.002 0.605 -3.763
140 HB3 PHE 17 HB3 PHE 17 4.152 1.375 -2.184
141 HD1 PHE 17 HD1 PHE 17 6.016 0.985 -5.416
142 HD2 PHE 17 HD2 PHE 17 5.156 3.480 -2.027
143 HE1 PHE 17 HE2 PHE 17 7.331 2.824 -6.436
144 HE2 PHE 17 HE1 PHE 17 6.470 5.319 -3.047
145 HZ PHE 17 HZ PHE 17 7.558 4.991 -5.251
146 H TRP 18 H TRP 18 5.040 0.715 -0.236
147 HA TRP 18 HA TRP 18 7.473 2.065 0.476
148 HB2 TRP 18 HB2 TRP 18 5.218 0.865 2.118
149 HB3 TRP 18 HB3 TRP 18 6.444 1.949 2.773
150 HD1 TRP 18 HD1 TRP 18 3.108 2.305 2.066
151 HE1 TRP 18 HE1 TRP 18 2.458 4.561 0.999
152 HE3 TRP 18 HE3 TRP 18 7.690 3.863 0.427
153 HZ2 TRP 18 HZ2 TRP 18 3.713 6.734 -0.365
154 HZ3 TRP 18 HZ3 TRP 18 7.932 6.028 -0.751
155 HH2 TRP 18 HH2 TRP 18 5.952 7.465 -1.148
156 H ASN 19 H ASN 19 6.339 -1.269 1.008
157 HA ASN 19 HA ASN 19 8.312 -2.156 2.848
158 HB2 ASN 19 HB2 ASN 19 6.458 -3.318 0.842
159 HB3 ASN 19 HB3 ASN 19 7.790 -4.359 1.340
160 HD21 ASN 19 HD21 ASN 19 6.892 -5.763 2.882
161 HD22 ASN 19 HD22 ASN 19 5.970 -5.261 4.216
162 H VAL 20 H VAL 20 8.501 -1.823 -0.701
163 HA VAL 20 HA VAL 20 11.283 -2.920 -0.633
164 HB VAL 20 HB VAL 20 10.991 -3.105 -3.073
165 HG11 VAL 20 HG11 VAL 20 9.394 -4.862 -3.065
166 HG12 VAL 20 HG12 VAL 20 8.457 -4.112 -1.773
167 HG13 VAL 20 HG13 VAL 20 10.034 -4.823 -1.422
168 HG21 VAL 20 HG21 VAL 20 8.854 -2.496 -4.127
169 HG22 VAL 20 HG22 VAL 20 9.597 -1.077 -3.391
170 HG23 VAL 20 HG23 VAL 20 8.253 -1.885 -2.587
171 H THR 21 H THR 21 9.481 0.056 -1.254
172 HA THR 21 HA THR 21 11.708 1.459 -2.509
173 HB THR 21 HB THR 21 9.094 2.366 -1.264
174 HG1 THR 21 HG1 THR 21 8.377 1.548 -3.048
175 HG21 THR 21 HG21 THR 21 9.636 4.331 -2.966
176 HG22 THR 21 HG22 THR 21 11.299 3.840 -2.650
177 HG23 THR 21 HG23 THR 21 10.266 4.362 -1.320
178 H LEU 22 H LEU 22 10.302 1.402 0.770
179 HA LEU 22 HA LEU 22 12.034 3.425 1.875
180 HB2 LEU 22 HB2 LEU 22 10.475 1.129 3.100
181 HB3 LEU 22 HB3 LEU 22 11.249 2.399 4.047
182 HG LEU 22 HG LEU 22 9.128 2.854 1.921
183 HD11 LEU 22 HD11 LEU 22 7.728 3.509 3.891
184 HD12 LEU 22 HD12 LEU 22 9.012 2.930 4.952
185 HD13 LEU 22 HD13 LEU 22 8.166 1.800 3.895
186 HD21 LEU 22 HD21 LEU 22 10.670 4.690 3.769
187 HD22 LEU 22 HD22 LEU 22 9.132 5.165 3.049
188 HD23 LEU 22 HD23 LEU 22 10.511 4.796 2.015
189 H ARG 23 H ARG 23 12.316 -0.089 1.566
190 HA ARG 23 HA ARG 23 15.162 0.123 2.477
191 HB2 ARG 23 HB2 ARG 23 13.335 -0.870 4.077
192 HB3 ARG 23 HB3 ARG 23 13.425 -2.278 3.019
193 HG2 ARG 23 HG2 ARG 23 15.680 -2.688 3.544
194 HG3 ARG 23 HG3 ARG 23 15.933 -1.048 4.143
195 HD2 ARG 23 HD2 ARG 23 13.932 -1.944 5.813
196 HD3 ARG 23 HD3 ARG 23 14.899 -3.412 5.566
197 HE ARG 23 HE ARG 23 16.918 -1.906 6.120
198 HH11 ARG 23 HH11 ARG 23 15.037 -2.736 8.447
199 HH12 ARG 23 HH12 ARG 23 14.954 -1.245 9.323
200 HH21 ARG 23 HH21 ARG 23 16.251 0.659 6.720
201 HH22 ARG 23 HH22 ARG 23 15.643 0.684 8.341
202 HA PRO 24 HA PRO 24 14.990 -1.823 -1.688
203 HB2 PRO 24 HB2 PRO 24 17.342 -0.724 -2.557
204 HB3 PRO 24 HB3 PRO 24 15.783 0.119 -2.661
205 HG2 PRO 24 HG2 PRO 24 17.977 0.437 -0.675
206 HG3 PRO 24 HG3 PRO 24 16.944 1.666 -1.422
207 HD2 PRO 24 HD2 PRO 24 16.562 0.725 1.105
208 HD3 PRO 24 HD3 PRO 24 15.249 1.344 0.082
209 H GLU 25 H GLU 25 16.259 -3.591 -2.458
210 HA GLU 25 HA GLU 25 18.667 -4.383 -0.893
211 HB2 GLU 25 HB2 GLU 25 17.647 -6.632 -0.524
212 HB3 GLU 25 HB3 GLU 25 16.736 -5.348 0.268
213 HG2 GLU 25 HG2 GLU 25 14.902 -6.074 -0.823
214 HG3 GLU 25 HG3 GLU 25 15.651 -5.537 -2.327
215 H ARG 26 H ARG 26 19.972 -5.987 -2.018
216 HA ARG 26 HA ARG 26 19.169 -6.890 -4.704
217 HB2 ARG 26 HB2 ARG 26 20.535 -4.405 -4.250
218 HB3 ARG 26 HB3 ARG 26 21.636 -5.507 -5.077
219 HG2 ARG 26 HG2 ARG 26 19.791 -5.989 -6.726
220 HG3 ARG 26 HG3 ARG 26 18.853 -4.704 -5.965
221 HD2 ARG 26 HD2 ARG 26 20.222 -3.025 -6.795
222 HD3 ARG 26 HD3 ARG 26 21.655 -4.072 -6.832
223 HE ARG 26 HE ARG 26 19.397 -4.257 -8.792
224 HH11 ARG 26 HH11 ARG 26 20.919 -6.767 -8.634
225 HH12 ARG 26 HH12 ARG 26 22.192 -6.534 -9.786
226 HH21 ARG 26 HH21 ARG 26 21.791 -3.083 -9.919
227 HH22 ARG 26 HH22 ARG 26 22.688 -4.439 -10.514
Start of MODEL 22
1 HA ARG 1 HA ARG 1 -21.085 0.340 -3.032
2 HB2 ARG 1 HB2 ARG 1 -23.070 -0.821 -4.162
3 HB3 ARG 1 HB3 ARG 1 -22.587 -2.281 -3.298
4 HG2 ARG 1 HG2 ARG 1 -22.821 -1.117 -1.151
5 HG3 ARG 1 HG3 ARG 1 -23.240 0.378 -1.988
6 HD2 ARG 1 HD2 ARG 1 -25.405 -0.268 -2.169
7 HD3 ARG 1 HD3 ARG 1 -24.929 -1.817 -2.895
8 HE ARG 1 HE ARG 1 -24.761 -1.385 0.066
9 HH11 ARG 1 HH11 ARG 1 -27.430 -2.316 -0.661
10 HH12 ARG 1 HH12 ARG 1 -27.273 -4.040 -0.681
11 HH21 ARG 1 HH21 ARG 1 -23.800 -3.984 -0.849
12 HH22 ARG 1 HH22 ARG 1 -25.209 -4.989 -0.787
13 H SER 2 H SER 2 -18.859 -0.115 -2.222
14 HA SER 2 HA SER 2 -18.866 -2.360 -0.271
15 HB2 SER 2 HB2 SER 2 -17.313 -2.171 -2.763
16 HB3 SER 2 HB3 SER 2 -16.319 -2.487 -1.344
17 HG SER 2 HG SER 2 -17.347 -4.351 -1.021
18 H ALA 3 H ALA 3 -17.483 -1.946 1.524
19 HA ALA 3 HA ALA 3 -16.365 0.837 1.637
20 HB1 ALA 3 HB1 ALA 3 -16.920 -0.802 4.072
21 HB2 ALA 3 HB2 ALA 3 -18.308 -0.247 3.134
22 HB3 ALA 3 HB3 ALA 3 -17.169 0.923 3.800
23 H LEU 4 H LEU 4 -15.638 -2.584 2.322
24 HA LEU 4 HA LEU 4 -12.883 -1.805 3.185
25 HB2 LEU 4 HB2 LEU 4 -14.852 -3.800 3.925
26 HB3 LEU 4 HB3 LEU 4 -13.320 -4.570 3.512
27 HG LEU 4 HG LEU 4 -12.193 -2.848 5.020
28 HD11 LEU 4 HD11 LEU 4 -13.910 -1.183 5.208
29 HD12 LEU 4 HD12 LEU 4 -13.776 -1.934 6.797
30 HD13 LEU 4 HD13 LEU 4 -15.102 -2.377 5.722
31 HD21 LEU 4 HD21 LEU 4 -12.913 -4.066 7.116
32 HD22 LEU 4 HD22 LEU 4 -12.452 -5.126 5.784
33 HD23 LEU 4 HD23 LEU 4 -14.157 -4.862 6.151
34 H VAL 5 H VAL 5 -14.154 -2.272 0.284
35 HA VAL 5 HA VAL 5 -12.235 -4.339 -0.689
36 HB VAL 5 HB VAL 5 -14.605 -2.871 -1.889
37 HG11 VAL 5 HG11 VAL 5 -14.293 -4.289 -3.884
38 HG12 VAL 5 HG12 VAL 5 -12.815 -4.953 -3.187
39 HG13 VAL 5 HG13 VAL 5 -12.891 -3.249 -3.634
40 HG21 VAL 5 HG21 VAL 5 -15.553 -5.173 -1.952
41 HG22 VAL 5 HG22 VAL 5 -15.151 -4.671 -0.309
42 HG23 VAL 5 HG23 VAL 5 -14.088 -5.778 -1.178
43 H ASN 6 H ASN 6 -12.965 -0.875 -0.931
44 HA ASN 6 HA ASN 6 -10.826 -0.410 -2.914
45 HB2 ASN 6 HB2 ASN 6 -13.051 1.075 -1.608
46 HB3 ASN 6 HB3 ASN 6 -11.662 2.044 -2.099
47 HD21 ASN 6 HD21 ASN 6 -10.912 1.596 -4.476
48 HD22 ASN 6 HD22 ASN 6 -12.139 1.330 -5.618
49 H SER 7 H SER 7 -11.297 -0.208 0.574
50 HA SER 7 HA SER 7 -9.182 1.573 1.272
51 HB2 SER 7 HB2 SER 7 -10.457 -0.801 2.660
52 HB3 SER 7 HB3 SER 7 -9.332 0.293 3.462
53 HG SER 7 HG SER 7 -11.962 0.629 2.843
54 H TYR 8 H TYR 8 -9.124 -2.037 1.268
55 HA TYR 8 HA TYR 8 -6.279 -2.187 1.698
56 HB2 TYR 8 HB2 TYR 8 -6.672 -4.463 1.718
57 HB3 TYR 8 HB3 TYR 8 -8.316 -3.894 1.958
58 HD1 TYR 8 HD1 TYR 8 -5.919 -5.264 -0.517
59 HD2 TYR 8 HD2 TYR 8 -10.005 -4.178 0.251
60 HE1 TYR 8 HE1 TYR 8 -6.627 -6.488 -2.553
61 HE2 TYR 8 HE2 TYR 8 -10.711 -5.399 -1.787
62 HH TYR 8 HH TYR 8 -9.525 -6.080 -4.032
63 H LEU 9 H LEU 9 -8.238 -1.823 -1.197
64 HA LEU 9 HA LEU 9 -6.379 -2.689 -3.181
65 HB2 LEU 9 HB2 LEU 9 -8.903 -1.408 -2.982
66 HB3 LEU 9 HB3 LEU 9 -7.899 -0.356 -3.976
67 HG LEU 9 HG LEU 9 -7.456 -2.104 -5.549
68 HD11 LEU 9 HD11 LEU 9 -7.043 -4.047 -4.314
69 HD12 LEU 9 HD12 LEU 9 -8.613 -4.408 -5.032
70 HD13 LEU 9 HD13 LEU 9 -8.513 -3.867 -3.357
71 HD21 LEU 9 HD21 LEU 9 -9.712 -1.061 -5.689
72 HD22 LEU 9 HD22 LEU 9 -10.351 -2.355 -4.675
73 HD23 LEU 9 HD23 LEU 9 -9.714 -2.723 -6.278
74 H TRP 10 H TRP 10 -6.810 0.496 -1.600
75 HA TRP 10 HA TRP 10 -4.611 1.714 -3.087
76 HB2 TRP 10 HB2 TRP 10 -6.667 2.865 -2.147
77 HB3 TRP 10 HB3 TRP 10 -5.977 2.633 -0.543
78 HD1 TRP 10 HD1 TRP 10 -5.624 5.204 -0.117
79 HE1 TRP 10 HE1 TRP 10 -3.928 6.913 -1.030
80 HE3 TRP 10 HE3 TRP 10 -3.751 2.582 -4.096
81 HZ2 TRP 10 HZ2 TRP 10 -2.037 7.146 -3.155
82 HZ3 TRP 10 HZ3 TRP 10 -2.008 3.578 -5.541
83 HH2 TRP 10 HH2 TRP 10 -1.148 5.855 -5.077
84 H GLN 11 H GLN 11 -5.055 0.274 0.135
85 HA GLN 11 HA GLN 11 -2.477 1.000 1.198
86 HB2 GLN 11 HB2 GLN 11 -4.514 -1.169 1.767
87 HB3 GLN 11 HB3 GLN 11 -3.047 -0.994 2.730
88 HG2 GLN 11 HG2 GLN 11 -4.609 1.492 2.285
89 HG3 GLN 11 HG3 GLN 11 -5.360 0.283 3.326
90 HE21 GLN 11 HE21 GLN 11 -2.276 2.100 2.913
91 HE22 GLN 11 HE22 GLN 11 -1.869 2.070 4.560
92 H ARG 12 H ARG 12 -3.665 -1.992 -0.384
93 HA ARG 12 HA ARG 12 -1.224 -3.463 -0.326
94 HB2 ARG 12 HB2 ARG 12 -3.518 -4.291 -0.881
95 HB3 ARG 12 HB3 ARG 12 -3.429 -3.427 -2.414
96 HG2 ARG 12 HG2 ARG 12 -1.059 -5.042 -2.077
97 HG3 ARG 12 HG3 ARG 12 -2.495 -6.043 -1.860
98 HD2 ARG 12 HD2 ARG 12 -1.898 -4.254 -4.249
99 HD3 ARG 12 HD3 ARG 12 -1.929 -6.028 -4.236
100 HE ARG 12 HE ARG 12 -4.392 -5.686 -3.413
101 HH11 ARG 12 HH11 ARG 12 -3.491 -2.667 -4.216
102 HH12 ARG 12 HH12 ARG 12 -4.530 -2.472 -5.586
103 HH21 ARG 12 HH21 ARG 12 -5.389 -5.835 -5.749
104 HH22 ARG 12 HH22 ARG 12 -5.605 -4.270 -6.458
105 H TRP 13 H TRP 13 -2.098 -0.662 -2.174
106 HA TRP 13 HA TRP 13 -0.199 -1.111 -4.366
107 HB2 TRP 13 HB2 TRP 13 -2.452 0.495 -3.774
108 HB3 TRP 13 HB3 TRP 13 -1.107 1.618 -3.942
109 HD1 TRP 13 HD1 TRP 13 -3.581 1.163 -6.000
110 HE1 TRP 13 HE1 TRP 13 -3.014 0.720 -8.478
111 HE3 TRP 13 HE3 TRP 13 1.250 -0.418 -5.527
112 HZ2 TRP 13 HZ2 TRP 13 -0.802 -0.185 -10.047
113 HZ3 TRP 13 HZ3 TRP 13 2.561 -1.058 -7.527
114 HH2 TRP 13 HH2 TRP 13 1.545 -0.945 -9.784
115 H GLU 14 H GLU 14 -0.500 1.358 -1.793
116 HA GLU 14 HA GLU 14 2.287 2.203 -2.100
117 HB2 GLU 14 HB2 GLU 14 0.015 2.906 -0.221
118 HB3 GLU 14 HB3 GLU 14 1.570 3.738 -0.223
119 HG2 GLU 14 HG2 GLU 14 0.955 3.809 -2.884
120 HG3 GLU 14 HG3 GLU 14 -0.656 3.896 -2.170
121 H ASN 15 H ASN 15 0.402 0.620 0.538
122 HA ASN 15 HA ASN 15 2.473 0.388 2.440
123 HB2 ASN 15 HB2 ASN 15 -0.119 -0.329 2.309
124 HB3 ASN 15 HB3 ASN 15 0.613 -1.915 2.061
125 HD21 ASN 15 HD21 ASN 15 2.720 -2.096 3.721
126 HD22 ASN 15 HD22 ASN 15 2.311 -1.741 5.329
127 H TRP 16 H TRP 16 1.742 -1.755 -0.339
128 HA TRP 16 HA TRP 16 3.868 -3.649 0.318
129 HB2 TRP 16 HB2 TRP 16 2.131 -4.560 -0.972
130 HB3 TRP 16 HB3 TRP 16 1.986 -3.114 -1.969
131 HD1 TRP 16 HD1 TRP 16 4.248 -6.183 -1.474
132 HE1 TRP 16 HE1 TRP 16 5.600 -6.557 -3.637
133 HE3 TRP 16 HE3 TRP 16 2.859 -2.037 -4.118
134 HZ2 TRP 16 HZ2 TRP 16 6.034 -5.277 -6.153
135 HZ3 TRP 16 HZ3 TRP 16 3.763 -1.640 -6.390
136 HH2 TRP 16 HH2 TRP 16 5.344 -3.252 -7.410
137 H PHE 17 H PHE 17 3.485 -1.051 -2.135
138 HA PHE 17 HA PHE 17 6.031 -1.264 -3.358
139 HB2 PHE 17 HB2 PHE 17 4.013 0.102 -4.052
140 HB3 PHE 17 HB3 PHE 17 4.462 1.275 -2.812
141 HD1 PHE 17 HD1 PHE 17 5.738 -0.477 -5.855
142 HD2 PHE 17 HD2 PHE 17 6.138 2.893 -3.223
143 HE1 PHE 17 HE1 PHE 17 7.376 0.544 -7.411
144 HE2 PHE 17 HE2 PHE 17 7.777 3.915 -4.779
145 HZ PHE 17 HZ PHE 17 8.396 2.741 -6.874
146 H TRP 18 H TRP 18 5.054 0.846 -0.609
147 HA TRP 18 HA TRP 18 7.690 1.912 -0.163
148 HB2 TRP 18 HB2 TRP 18 5.302 1.550 1.676
149 HB3 TRP 18 HB3 TRP 18 6.692 2.573 2.033
150 HD1 TRP 18 HD1 TRP 18 3.496 3.361 1.365
151 HE1 TRP 18 HE1 TRP 18 3.123 5.263 -0.333
152 HE3 TRP 18 HE3 TRP 18 8.057 3.396 -0.945
153 HZ2 TRP 18 HZ2 TRP 18 4.565 6.621 -2.390
154 HZ3 TRP 18 HZ3 TRP 18 8.526 5.006 -2.766
155 HH2 TRP 18 HH2 TRP 18 6.788 6.618 -3.492
156 H ASN 19 H ASN 19 6.024 -0.982 1.081
157 HA ASN 19 HA ASN 19 8.053 -1.641 3.046
158 HB2 ASN 19 HB2 ASN 19 5.614 -2.389 2.895
159 HB3 ASN 19 HB3 ASN 19 6.136 -3.517 1.644
160 HD21 ASN 19 HD21 ASN 19 7.567 -5.292 2.294
161 HD22 ASN 19 HD22 ASN 19 7.769 -5.702 3.929
162 H VAL 20 H VAL 20 7.530 -2.536 -0.366
163 HA VAL 20 HA VAL 20 9.860 -4.358 -0.346
164 HB VAL 20 HB VAL 20 7.596 -4.691 -1.524
165 HG11 VAL 20 HG11 VAL 20 7.788 -2.281 -2.515
166 HG12 VAL 20 HG12 VAL 20 7.129 -3.567 -3.523
167 HG13 VAL 20 HG13 VAL 20 8.800 -3.047 -3.737
168 HG21 VAL 20 HG21 VAL 20 8.588 -6.043 -3.159
169 HG22 VAL 20 HG22 VAL 20 9.886 -5.861 -1.978
170 HG23 VAL 20 HG23 VAL 20 9.896 -4.897 -3.455
171 H THR 21 H THR 21 9.172 -1.025 -1.176
172 HA THR 21 HA THR 21 11.761 -0.820 -2.663
173 HB THR 21 HB THR 21 9.407 1.089 -2.482
174 HG1 THR 21 HG1 THR 21 8.783 0.228 -4.401
175 HG21 THR 21 HG21 THR 21 11.799 1.024 -4.343
176 HG22 THR 21 HG22 THR 21 11.547 2.183 -3.038
177 HG23 THR 21 HG23 THR 21 10.462 2.170 -4.428
178 H LEU 22 H LEU 22 9.833 1.172 -0.391
179 HA LEU 22 HA LEU 22 12.082 2.731 0.518
180 HB2 LEU 22 HB2 LEU 22 9.220 2.408 1.060
181 HB3 LEU 22 HB3 LEU 22 10.137 2.801 2.512
182 HG LEU 22 HG LEU 22 10.411 4.344 -0.080
183 HD11 LEU 22 HD11 LEU 22 8.772 5.844 0.616
184 HD12 LEU 22 HD12 LEU 22 8.921 5.379 2.310
185 HD13 LEU 22 HD13 LEU 22 8.084 4.320 1.177
186 HD21 LEU 22 HD21 LEU 22 11.438 6.026 1.395
187 HD22 LEU 22 HD22 LEU 22 12.290 4.489 1.538
188 HD23 LEU 22 HD23 LEU 22 11.156 4.988 2.793
189 H ARG 23 H ARG 23 10.637 -0.291 1.602
190 HA ARG 23 HA ARG 23 11.275 -1.843 3.254
191 HB2 ARG 23 HB2 ARG 23 13.667 -0.642 2.020
192 HB3 ARG 23 HB3 ARG 23 13.979 -1.393 3.583
193 HG2 ARG 23 HG2 ARG 23 14.206 -3.249 2.228
194 HG3 ARG 23 HG3 ARG 23 12.473 -3.334 2.541
195 HD2 ARG 23 HD2 ARG 23 12.430 -3.465 0.224
196 HD3 ARG 23 HD3 ARG 23 12.423 -1.700 0.394
197 HE ARG 23 HE ARG 23 15.132 -2.486 0.482
198 HH11 ARG 23 HH11 ARG 23 14.145 -0.537 -1.519
199 HH12 ARG 23 HH12 ARG 23 14.371 -1.378 -3.019
200 HH21 ARG 23 HH21 ARG 23 14.680 -4.498 -1.519
201 HH22 ARG 23 HH22 ARG 23 14.668 -3.629 -3.017
202 HA PRO 24 HA PRO 24 11.410 1.566 6.486
203 HB2 PRO 24 HB2 PRO 24 8.874 1.218 7.452
204 HB3 PRO 24 HB3 PRO 24 9.252 2.315 6.109
205 HG2 PRO 24 HG2 PRO 24 8.103 -0.428 6.046
206 HG3 PRO 24 HG3 PRO 24 7.713 0.982 5.051
207 HD2 PRO 24 HD2 PRO 24 9.283 -1.083 4.200
208 HD3 PRO 24 HD3 PRO 24 9.412 0.577 3.582
209 H GLU 25 H GLU 25 11.018 1.175 8.909
210 HA GLU 25 HA GLU 25 11.372 -0.141 10.835
211 HB2 GLU 25 HB2 GLU 25 9.293 -1.222 9.263
212 HB3 GLU 25 HB3 GLU 25 10.262 -2.605 9.768
213 HG2 GLU 25 HG2 GLU 25 9.628 -2.401 11.936
214 HG3 GLU 25 HG3 GLU 25 9.809 -0.646 11.915
215 H ARG 26 H ARG 26 11.898 -2.955 11.008
216 HA ARG 26 HA ARG 26 14.653 -3.017 9.880
217 HB2 ARG 26 HB2 ARG 26 14.289 -3.289 12.309
218 HB3 ARG 26 HB3 ARG 26 13.231 -4.665 12.003
219 HG2 ARG 26 HG2 ARG 26 15.419 -5.523 12.585
220 HG3 ARG 26 HG3 ARG 26 15.164 -5.807 10.865
221 HD2 ARG 26 HD2 ARG 26 16.317 -3.350 10.746
222 HD3 ARG 26 HD3 ARG 26 17.097 -3.991 12.206
223 HE ARG 26 HE ARG 26 18.069 -5.736 10.887
224 HH11 ARG 26 HH11 ARG 26 18.404 -3.563 8.852
225 HH12 ARG 26 HH12 ARG 26 17.727 -4.284 7.431
226 HH21 ARG 26 HH21 ARG 26 16.070 -6.791 9.177
227 HH22 ARG 26 HH22 ARG 26 16.398 -6.118 7.616
Start of MODEL 23
1 HA ARG 1 HA ARG 1 -18.321 1.044 -5.399
2 HB2 ARG 1 HB2 ARG 1 -21.125 2.103 -5.070
3 HB3 ARG 1 HB3 ARG 1 -19.768 2.977 -4.360
4 HG2 ARG 1 HG2 ARG 1 -18.665 2.848 -6.669
5 HG3 ARG 1 HG3 ARG 1 -20.240 2.335 -7.276
6 HD2 ARG 1 HD2 ARG 1 -20.797 4.578 -5.671
7 HD3 ARG 1 HD3 ARG 1 -19.345 5.016 -6.593
8 HE ARG 1 HE ARG 1 -20.566 4.578 -8.652
9 HH11 ARG 1 HH11 ARG 1 -22.473 6.207 -6.802
10 HH12 ARG 1 HH12 ARG 1 -23.969 5.395 -7.121
11 HH21 ARG 1 HH21 ARG 1 -22.459 2.648 -8.624
12 HH22 ARG 1 HH22 ARG 1 -23.961 3.373 -8.157
13 H SER 2 H SER 2 -17.213 0.798 -3.488
14 HA SER 2 HA SER 2 -18.745 0.384 -0.957
15 HB2 SER 2 HB2 SER 2 -16.796 -1.451 -2.321
16 HB3 SER 2 HB3 SER 2 -16.892 -1.452 -0.562
17 HG SER 2 HG SER 2 -19.046 -1.993 -0.703
18 H ALA 3 H ALA 3 -17.423 0.801 0.961
19 HA ALA 3 HA ALA 3 -15.257 2.777 0.439
20 HB1 ALA 3 HB1 ALA 3 -16.996 3.556 1.869
21 HB2 ALA 3 HB2 ALA 3 -15.667 3.152 2.956
22 HB3 ALA 3 HB3 ALA 3 -17.029 2.045 2.778
23 H LEU 4 H LEU 4 -15.840 -0.318 2.106
24 HA LEU 4 HA LEU 4 -13.067 -0.414 3.131
25 HB2 LEU 4 HB2 LEU 4 -15.322 -1.205 4.219
26 HB3 LEU 4 HB3 LEU 4 -15.087 -2.644 3.226
27 HG LEU 4 HG LEU 4 -12.615 -2.458 4.262
28 HD11 LEU 4 HD11 LEU 4 -13.074 -0.451 5.575
29 HD12 LEU 4 HD12 LEU 4 -12.827 -1.816 6.665
30 HD13 LEU 4 HD13 LEU 4 -14.459 -1.235 6.337
31 HD21 LEU 4 HD21 LEU 4 -13.310 -4.136 5.907
32 HD22 LEU 4 HD22 LEU 4 -14.177 -4.397 4.394
33 HD23 LEU 4 HD23 LEU 4 -14.990 -3.621 5.753
34 H VAL 5 H VAL 5 -14.029 -0.733 0.098
35 HA VAL 5 HA VAL 5 -12.627 -3.325 -0.441
36 HB VAL 5 HB VAL 5 -14.545 -1.606 -2.058
37 HG11 VAL 5 HG11 VAL 5 -14.505 -3.536 -3.666
38 HG12 VAL 5 HG12 VAL 5 -13.152 -4.210 -2.757
39 HG13 VAL 5 HG13 VAL 5 -12.974 -2.663 -3.586
40 HG21 VAL 5 HG21 VAL 5 -16.010 -3.624 -1.811
41 HG22 VAL 5 HG22 VAL 5 -15.634 -2.859 -0.267
42 HG23 VAL 5 HG23 VAL 5 -14.795 -4.333 -0.747
43 H ASN 6 H ASN 6 -12.934 -0.008 -1.791
44 HA ASN 6 HA ASN 6 -10.531 -0.178 -3.395
45 HB2 ASN 6 HB2 ASN 6 -12.230 2.109 -2.341
46 HB3 ASN 6 HB3 ASN 6 -10.910 2.335 -3.490
47 HD21 ASN 6 HD21 ASN 6 -11.106 0.793 -5.519
48 HD22 ASN 6 HD22 ASN 6 -12.669 0.599 -6.152
49 H SER 7 H SER 7 -11.231 1.276 -0.184
50 HA SER 7 HA SER 7 -8.660 2.397 0.320
51 HB2 SER 7 HB2 SER 7 -10.886 1.265 2.019
52 HB3 SER 7 HB3 SER 7 -9.425 1.905 2.764
53 HG SER 7 HG SER 7 -10.234 3.808 2.444
54 H TYR 8 H TYR 8 -9.952 -0.852 1.083
55 HA TYR 8 HA TYR 8 -7.620 -1.951 2.304
56 HB2 TYR 8 HB2 TYR 8 -9.633 -3.150 2.533
57 HB3 TYR 8 HB3 TYR 8 -10.042 -2.974 0.830
58 HD1 TYR 8 HD1 TYR 8 -7.424 -4.518 3.026
59 HD2 TYR 8 HD2 TYR 8 -9.696 -4.784 -0.609
60 HE1 TYR 8 HE2 TYR 8 -6.421 -6.737 2.563
61 HE2 TYR 8 HE1 TYR 8 -8.693 -7.004 -1.073
62 HH TYR 8 HH TYR 8 -7.635 -8.902 0.463
63 H LEU 9 H LEU 9 -8.696 -1.927 -1.103
64 HA LEU 9 HA LEU 9 -6.451 -3.388 -2.174
65 HB2 LEU 9 HB2 LEU 9 -8.873 -2.066 -3.026
66 HB3 LEU 9 HB3 LEU 9 -7.559 -1.596 -4.096
67 HG LEU 9 HG LEU 9 -7.153 -3.812 -4.780
68 HD11 LEU 9 HD11 LEU 9 -8.451 -5.709 -3.491
69 HD12 LEU 9 HD12 LEU 9 -8.483 -4.530 -2.181
70 HD13 LEU 9 HD13 LEU 9 -6.940 -5.085 -2.831
71 HD21 LEU 9 HD21 LEU 9 -9.466 -4.782 -5.217
72 HD22 LEU 9 HD22 LEU 9 -9.237 -3.114 -5.742
73 HD23 LEU 9 HD23 LEU 9 -10.113 -3.456 -4.250
74 H TRP 10 H TRP 10 -7.157 0.102 -1.877
75 HA TRP 10 HA TRP 10 -4.800 1.087 -3.163
76 HB2 TRP 10 HB2 TRP 10 -6.580 2.597 -2.802
77 HB3 TRP 10 HB3 TRP 10 -6.784 2.097 -1.125
78 HD1 TRP 10 HD1 TRP 10 -4.188 3.945 -3.321
79 HE1 TRP 10 HE1 TRP 10 -2.988 5.687 -1.844
80 HE3 TRP 10 HE3 TRP 10 -6.339 2.902 1.188
81 HZ2 TRP 10 HZ2 TRP 10 -2.950 6.525 0.891
82 HZ3 TRP 10 HZ3 TRP 10 -5.705 4.183 3.211
83 HH2 TRP 10 HH2 TRP 10 -4.015 5.992 3.069
84 H GLN 11 H GLN 11 -5.479 0.375 0.288
85 HA GLN 11 HA GLN 11 -2.987 1.202 1.380
86 HB2 GLN 11 HB2 GLN 11 -5.201 -0.679 2.083
87 HB3 GLN 11 HB3 GLN 11 -3.703 -0.824 3.002
88 HG2 GLN 11 HG2 GLN 11 -3.949 1.231 3.997
89 HG3 GLN 11 HG3 GLN 11 -4.745 1.933 2.589
90 HE21 GLN 11 HE21 GLN 11 -5.422 -0.645 5.045
91 HE22 GLN 11 HE22 GLN 11 -7.062 -0.242 5.216
92 H ARG 12 H ARG 12 -3.946 -1.907 -0.089
93 HA ARG 12 HA ARG 12 -1.544 -3.365 0.504
94 HB2 ARG 12 HB2 ARG 12 -3.708 -3.529 -1.604
95 HB3 ARG 12 HB3 ARG 12 -2.397 -4.705 -1.534
96 HG2 ARG 12 HG2 ARG 12 -3.814 -4.132 1.022
97 HG3 ARG 12 HG3 ARG 12 -4.708 -5.045 -0.194
98 HD2 ARG 12 HD2 ARG 12 -2.755 -6.626 -0.363
99 HD3 ARG 12 HD3 ARG 12 -2.009 -5.767 0.999
100 HE ARG 12 HE ARG 12 -4.659 -7.160 1.161
101 HH11 ARG 12 HH11 ARG 12 -2.384 -8.545 2.419
102 HH12 ARG 12 HH12 ARG 12 -2.424 -7.971 4.053
103 HH21 ARG 12 HH21 ARG 12 -4.470 -5.256 3.322
104 HH22 ARG 12 HH22 ARG 12 -3.616 -6.104 4.567
105 H TRP 13 H TRP 13 -2.497 -1.400 -2.336
106 HA TRP 13 HA TRP 13 -0.206 -1.901 -3.950
107 HB2 TRP 13 HB2 TRP 13 -1.526 -0.640 -5.284
108 HB3 TRP 13 HB3 TRP 13 -2.543 -0.250 -3.906
109 HD1 TRP 13 HD1 TRP 13 -2.699 2.212 -3.359
110 HE1 TRP 13 HE1 TRP 13 -1.287 4.315 -3.838
111 HE3 TRP 13 HE3 TRP 13 1.284 0.077 -5.733
112 HZ2 TRP 13 HZ2 TRP 13 1.205 4.999 -5.066
113 HZ3 TRP 13 HZ3 TRP 13 3.161 1.475 -6.548
114 HH2 TRP 13 HH2 TRP 13 3.126 3.931 -6.217
115 H GLU 14 H GLU 14 -0.760 0.652 -1.491
116 HA GLU 14 HA GLU 14 1.888 1.821 -1.817
117 HB2 GLU 14 HB2 GLU 14 -0.452 2.057 0.047
118 HB3 GLU 14 HB3 GLU 14 1.086 2.782 0.523
119 HG2 GLU 14 HG2 GLU 14 0.992 3.681 -2.001
120 HG3 GLU 14 HG3 GLU 14 -0.739 3.509 -1.721
121 H ASN 15 H ASN 15 0.446 -0.591 0.372
122 HA ASN 15 HA ASN 15 2.514 -0.821 2.294
123 HB2 ASN 15 HB2 ASN 15 0.133 -2.047 1.763
124 HB3 ASN 15 HB3 ASN 15 1.258 -3.329 1.319
125 HD21 ASN 15 HD21 ASN 15 3.222 -3.385 3.108
126 HD22 ASN 15 HD22 ASN 15 2.661 -3.433 4.709
127 H TRP 16 H TRP 16 2.157 -2.544 -0.837
128 HA TRP 16 HA TRP 16 4.656 -3.979 -0.649
129 HB2 TRP 16 HB2 TRP 16 3.109 -4.851 -2.183
130 HB3 TRP 16 HB3 TRP 16 2.656 -3.256 -2.780
131 HD1 TRP 16 HD1 TRP 16 5.587 -5.757 -2.942
132 HE1 TRP 16 HE1 TRP 16 6.892 -5.336 -5.123
133 HE3 TRP 16 HE3 TRP 16 3.119 -1.628 -4.665
134 HZ2 TRP 16 HZ2 TRP 16 6.895 -3.492 -7.306
135 HZ3 TRP 16 HZ3 TRP 16 3.797 -0.561 -6.795
136 HH2 TRP 16 HH2 TRP 16 5.679 -1.486 -8.118
137 H PHE 17 H PHE 17 3.711 -0.942 -2.298
138 HA PHE 17 HA PHE 17 6.179 -0.280 -3.510
139 HB2 PHE 17 HB2 PHE 17 4.211 0.968 -4.019
140 HB3 PHE 17 HB3 PHE 17 3.895 1.312 -2.320
141 HD1 PHE 17 HD1 PHE 17 6.558 1.842 -4.916
142 HD2 PHE 17 HD2 PHE 17 4.520 3.389 -1.466
143 HE1 PHE 17 HE2 PHE 17 7.853 3.949 -5.094
144 HE2 PHE 17 HE1 PHE 17 5.814 5.495 -1.645
145 HZ PHE 17 HZ PHE 17 7.482 5.775 -3.458
146 H TRP 18 H TRP 18 4.975 0.726 -0.276
147 HA TRP 18 HA TRP 18 7.430 1.992 0.545
148 HB2 TRP 18 HB2 TRP 18 4.977 0.895 1.929
149 HB3 TRP 18 HB3 TRP 18 6.296 1.615 2.850
150 HD1 TRP 18 HD1 TRP 18 3.134 2.616 1.689
151 HE1 TRP 18 HE1 TRP 18 3.004 5.124 1.100
152 HE3 TRP 18 HE3 TRP 18 8.114 3.709 1.375
153 HZ2 TRP 18 HZ2 TRP 18 4.779 7.301 0.568
154 HZ3 TRP 18 HZ3 TRP 18 8.865 6.003 0.826
155 HH2 TRP 18 HH2 TRP 18 7.205 7.801 0.423
156 H ASN 19 H ASN 19 6.238 -1.342 0.726
157 HA ASN 19 HA ASN 19 8.039 -2.417 2.644
158 HB2 ASN 19 HB2 ASN 19 6.007 -3.443 1.435
159 HB3 ASN 19 HB3 ASN 19 7.118 -3.803 0.114
160 HD21 ASN 19 HD21 ASN 19 8.853 -5.371 0.535
161 HD22 ASN 19 HD22 ASN 19 8.774 -6.418 1.868
162 H VAL 20 H VAL 20 8.435 -2.087 -0.910
163 HA VAL 20 HA VAL 20 11.221 -3.048 -0.767
164 HB VAL 20 HB VAL 20 11.124 -2.615 -3.239
165 HG11 VAL 20 HG11 VAL 20 10.132 -4.688 -1.932
166 HG12 VAL 20 HG12 VAL 20 9.858 -4.513 -3.666
167 HG13 VAL 20 HG13 VAL 20 8.595 -4.057 -2.523
168 HG21 VAL 20 HG21 VAL 20 8.208 -1.930 -2.821
169 HG22 VAL 20 HG22 VAL 20 9.171 -1.768 -4.288
170 HG23 VAL 20 HG23 VAL 20 9.443 -0.677 -2.931
171 H THR 21 H THR 21 9.537 0.042 -0.851
172 HA THR 21 HA THR 21 11.828 1.646 -1.656
173 HB THR 21 HB THR 21 9.200 2.271 -0.267
174 HG1 THR 21 HG1 THR 21 8.630 1.800 -2.249
175 HG21 THR 21 HG21 THR 21 9.649 4.619 -1.008
176 HG22 THR 21 HG22 THR 21 11.276 4.124 -1.470
177 HG23 THR 21 HG23 THR 21 10.780 4.054 0.221
178 H LEU 22 H LEU 22 10.403 0.683 1.449
179 HA LEU 22 HA LEU 22 12.320 2.281 3.007
180 HB2 LEU 22 HB2 LEU 22 10.259 0.187 3.777
181 HB3 LEU 22 HB3 LEU 22 11.115 1.225 4.914
182 HG LEU 22 HG LEU 22 9.382 2.273 2.655
183 HD11 LEU 22 HD11 LEU 22 7.857 1.193 4.102
184 HD12 LEU 22 HD12 LEU 22 7.858 2.865 4.660
185 HD13 LEU 22 HD13 LEU 22 8.770 1.641 5.542
186 HD21 LEU 22 HD21 LEU 22 11.051 3.878 3.391
187 HD22 LEU 22 HD22 LEU 22 10.675 3.556 5.084
188 HD23 LEU 22 HD23 LEU 22 9.490 4.364 4.056
189 H ARG 23 H ARG 23 11.853 -1.126 2.126
190 HA ARG 23 HA ARG 23 14.646 -1.675 3.018
191 HB2 ARG 23 HB2 ARG 23 13.740 -3.816 4.064
192 HB3 ARG 23 HB3 ARG 23 13.288 -2.329 4.895
193 HG2 ARG 23 HG2 ARG 23 11.108 -2.346 3.705
194 HG3 ARG 23 HG3 ARG 23 11.561 -3.863 2.926
195 HD2 ARG 23 HD2 ARG 23 11.742 -4.954 5.141
196 HD3 ARG 23 HD3 ARG 23 11.263 -3.431 5.921
197 HE ARG 23 HE ARG 23 9.495 -4.711 3.869
198 HH11 ARG 23 HH11 ARG 23 9.008 -2.077 5.458
199 HH12 ARG 23 HH12 ARG 23 7.830 -2.627 6.603
200 HH21 ARG 23 HH21 ARG 23 8.440 -5.998 6.004
201 HH22 ARG 23 HH22 ARG 23 7.504 -4.855 6.909
202 HA PRO 24 HA PRO 24 13.715 -3.408 -1.164
203 HB2 PRO 24 HB2 PRO 24 16.150 -2.739 -2.235
204 HB3 PRO 24 HB3 PRO 24 14.763 -1.631 -2.208
205 HG2 PRO 24 HG2 PRO 24 17.127 -1.749 -0.396
206 HG3 PRO 24 HG3 PRO 24 16.296 -0.340 -1.076
207 HD2 PRO 24 HD2 PRO 24 15.918 -1.181 1.473
208 HD3 PRO 24 HD3 PRO 24 14.650 -0.370 0.527
209 H GLU 25 H GLU 25 14.586 -5.355 -2.068
210 HA GLU 25 HA GLU 25 16.262 -6.935 -0.190
211 HB2 GLU 25 HB2 GLU 25 14.369 -7.455 -2.465
212 HB3 GLU 25 HB3 GLU 25 15.520 -8.712 -2.014
213 HG2 GLU 25 HG2 GLU 25 13.778 -7.357 0.050
214 HG3 GLU 25 HG3 GLU 25 13.214 -8.762 -0.855
215 H ARG 26 H ARG 26 16.146 -6.333 -3.736
216 HA ARG 26 HA ARG 26 19.136 -6.467 -3.782
217 HB2 ARG 26 HB2 ARG 26 17.090 -8.065 -5.315
218 HB3 ARG 26 HB3 ARG 26 18.682 -7.769 -6.013
219 HG2 ARG 26 HG2 ARG 26 19.295 -9.632 -4.862
220 HG3 ARG 26 HG3 ARG 26 19.351 -8.546 -3.472
221 HD2 ARG 26 HD2 ARG 26 16.675 -9.172 -3.551
222 HD3 ARG 26 HD3 ARG 26 17.417 -10.691 -4.089
223 HE ARG 26 HE ARG 26 18.234 -9.278 -1.572
224 HH11 ARG 26 HH11 ARG 26 19.948 -11.498 -2.801
225 HH12 ARG 26 HH12 ARG 26 19.434 -12.867 -1.874
226 HH21 ARG 26 HH21 ARG 26 16.577 -11.292 -0.656
227 HH22 ARG 26 HH22 ARG 26 17.516 -12.751 -0.653
Start of MODEL 24
1 HA ARG 1 HA ARG 1 -12.793 4.020 -6.132
2 HB2 ARG 1 HB2 ARG 1 -13.229 6.149 -4.932
3 HB3 ARG 1 HB3 ARG 1 -12.839 6.436 -6.626
4 HG2 ARG 1 HG2 ARG 1 -15.072 6.940 -7.184
5 HG3 ARG 1 HG3 ARG 1 -15.709 6.146 -5.744
6 HD2 ARG 1 HD2 ARG 1 -15.876 8.437 -5.190
7 HD3 ARG 1 HD3 ARG 1 -14.329 7.979 -4.449
8 HE ARG 1 HE ARG 1 -14.588 9.358 -7.095
9 HH11 ARG 1 HH11 ARG 1 -13.530 10.741 -4.608
10 HH12 ARG 1 HH12 ARG 1 -11.819 10.636 -4.856
11 HH21 ARG 1 HH21 ARG 1 -12.063 8.183 -7.306
12 HH22 ARG 1 HH22 ARG 1 -10.985 9.180 -6.388
13 H SER 2 H SER 2 -13.424 3.635 -3.865
14 HA SER 2 HA SER 2 -16.332 3.198 -3.365
15 HB2 SER 2 HB2 SER 2 -14.504 1.197 -4.151
16 HB3 SER 2 HB3 SER 2 -14.729 0.970 -2.419
17 HG SER 2 HG SER 2 -16.652 0.971 -4.493
18 H ALA 3 H ALA 3 -16.180 1.973 -0.905
19 HA ALA 3 HA ALA 3 -14.663 3.971 0.739
20 HB1 ALA 3 HB1 ALA 3 -17.220 2.401 1.164
21 HB2 ALA 3 HB2 ALA 3 -17.053 4.147 0.977
22 HB3 ALA 3 HB3 ALA 3 -16.457 3.356 2.436
23 H LEU 4 H LEU 4 -15.815 0.564 0.898
24 HA LEU 4 HA LEU 4 -13.480 -0.054 2.667
25 HB2 LEU 4 HB2 LEU 4 -14.852 -1.903 3.453
26 HB3 LEU 4 HB3 LEU 4 -15.829 -0.436 3.471
27 HG LEU 4 HG LEU 4 -16.154 -1.526 0.887
28 HD11 LEU 4 HD11 LEU 4 -15.225 -3.647 1.803
29 HD12 LEU 4 HD12 LEU 4 -16.918 -3.808 1.337
30 HD13 LEU 4 HD13 LEU 4 -16.484 -3.641 3.038
31 HD21 LEU 4 HD21 LEU 4 -17.838 -0.307 2.230
32 HD22 LEU 4 HD22 LEU 4 -17.956 -1.683 3.327
33 HD23 LEU 4 HD23 LEU 4 -18.479 -1.843 1.650
34 H VAL 5 H VAL 5 -14.301 -0.277 -0.557
35 HA VAL 5 HA VAL 5 -13.023 -2.943 -0.971
36 HB VAL 5 HB VAL 5 -14.465 -1.052 -2.867
37 HG11 VAL 5 HG11 VAL 5 -14.576 -3.020 -4.351
38 HG12 VAL 5 HG12 VAL 5 -13.660 -3.963 -3.176
39 HG13 VAL 5 HG13 VAL 5 -12.900 -2.599 -3.998
40 HG21 VAL 5 HG21 VAL 5 -15.374 -3.357 -1.152
41 HG22 VAL 5 HG22 VAL 5 -16.214 -2.985 -2.657
42 HG23 VAL 5 HG23 VAL 5 -16.129 -1.778 -1.373
43 H ASN 6 H ASN 6 -12.850 0.382 -2.325
44 HA ASN 6 HA ASN 6 -10.331 -0.027 -3.676
45 HB2 ASN 6 HB2 ASN 6 -12.011 1.694 -4.266
46 HB3 ASN 6 HB3 ASN 6 -11.733 2.495 -2.720
47 HD21 ASN 6 HD21 ASN 6 -9.530 1.166 -5.279
48 HD22 ASN 6 HD22 ASN 6 -8.584 2.570 -5.386
49 H SER 7 H SER 7 -11.185 1.396 -0.494
50 HA SER 7 HA SER 7 -8.631 2.361 0.264
51 HB2 SER 7 HB2 SER 7 -11.053 2.335 1.385
52 HB3 SER 7 HB3 SER 7 -10.388 0.948 2.244
53 HG SER 7 HG SER 7 -9.757 3.637 2.407
54 H TYR 8 H TYR 8 -10.045 -0.894 0.794
55 HA TYR 8 HA TYR 8 -7.773 -2.089 2.052
56 HB2 TYR 8 HB2 TYR 8 -9.849 -3.222 2.167
57 HB3 TYR 8 HB3 TYR 8 -10.141 -3.049 0.438
58 HD1 TYR 8 HD1 TYR 8 -7.692 -4.610 2.817
59 HD2 TYR 8 HD2 TYR 8 -9.704 -4.862 -0.970
60 HE1 TYR 8 HE2 TYR 8 -6.663 -6.830 2.418
61 HE2 TYR 8 HE1 TYR 8 -8.674 -7.083 -1.369
62 HH TYR 8 HH TYR 8 -7.640 -9.006 0.594
63 H LEU 9 H LEU 9 -8.733 -1.891 -1.386
64 HA LEU 9 HA LEU 9 -6.524 -3.397 -2.453
65 HB2 LEU 9 HB2 LEU 9 -8.809 -1.840 -3.332
66 HB3 LEU 9 HB3 LEU 9 -7.409 -1.469 -4.334
67 HG LEU 9 HG LEU 9 -8.660 -3.363 -5.276
68 HD11 LEU 9 HD11 LEU 9 -6.234 -4.654 -4.085
69 HD12 LEU 9 HD12 LEU 9 -6.017 -3.227 -5.101
70 HD13 LEU 9 HD13 LEU 9 -6.802 -4.665 -5.755
71 HD21 LEU 9 HD21 LEU 9 -9.284 -5.236 -4.072
72 HD22 LEU 9 HD22 LEU 9 -9.333 -4.036 -2.782
73 HD23 LEU 9 HD23 LEU 9 -7.932 -5.094 -2.948
74 H TRP 10 H TRP 10 -7.047 0.095 -1.949
75 HA TRP 10 HA TRP 10 -4.556 1.002 -3.062
76 HB2 TRP 10 HB2 TRP 10 -6.253 2.609 -2.815
77 HB3 TRP 10 HB3 TRP 10 -6.682 2.047 -1.202
78 HD1 TRP 10 HD1 TRP 10 -3.803 3.890 -3.000
79 HE1 TRP 10 HE1 TRP 10 -2.675 5.470 -1.302
80 HE3 TRP 10 HE3 TRP 10 -6.409 2.657 1.211
81 HZ2 TRP 10 HZ2 TRP 10 -2.860 6.126 1.475
82 HZ3 TRP 10 HZ3 TRP 10 -5.916 3.774 3.368
83 HH2 TRP 10 HH2 TRP 10 -4.147 5.504 3.505
84 H GLN 11 H GLN 11 -5.538 0.167 0.285
85 HA GLN 11 HA GLN 11 -3.198 0.913 1.681
86 HB2 GLN 11 HB2 GLN 11 -5.347 -1.160 1.959
87 HB3 GLN 11 HB3 GLN 11 -3.957 -1.260 3.040
88 HG2 GLN 11 HG2 GLN 11 -4.483 0.699 4.127
89 HG3 GLN 11 HG3 GLN 11 -5.219 1.419 2.696
90 HE21 GLN 11 HE21 GLN 11 -7.336 1.886 3.457
91 HE22 GLN 11 HE22 GLN 11 -8.382 0.715 4.097
92 H ARG 12 H ARG 12 -3.919 -2.190 0.051
93 HA ARG 12 HA ARG 12 -1.452 -3.511 0.662
94 HB2 ARG 12 HB2 ARG 12 -3.802 -4.244 -0.346
95 HB3 ARG 12 HB3 ARG 12 -2.968 -3.992 -1.880
96 HG2 ARG 12 HG2 ARG 12 -1.209 -5.553 -1.228
97 HG3 ARG 12 HG3 ARG 12 -1.933 -5.744 0.370
98 HD2 ARG 12 HD2 ARG 12 -3.737 -6.996 -0.447
99 HD3 ARG 12 HD3 ARG 12 -3.582 -6.329 -2.086
100 HE ARG 12 HE ARG 12 -1.481 -8.127 -0.928
101 HH11 ARG 12 HH11 ARG 12 -3.857 -9.310 -2.462
102 HH12 ARG 12 HH12 ARG 12 -3.173 -9.483 -4.044
103 HH21 ARG 12 HH21 ARG 12 -0.476 -7.387 -3.393
104 HH22 ARG 12 HH22 ARG 12 -1.251 -8.389 -4.574
105 H TRP 13 H TRP 13 -2.375 -1.317 -1.983
106 HA TRP 13 HA TRP 13 -0.080 -1.803 -3.646
107 HB2 TRP 13 HB2 TRP 13 -1.418 -0.548 -4.966
108 HB3 TRP 13 HB3 TRP 13 -2.456 -0.207 -3.588
109 HD1 TRP 13 HD1 TRP 13 -2.644 2.229 -2.950
110 HE1 TRP 13 HE1 TRP 13 -1.279 4.373 -3.384
111 HE3 TRP 13 HE3 TRP 13 1.350 0.243 -5.428
112 HZ2 TRP 13 HZ2 TRP 13 1.187 5.140 -4.616
113 HZ3 TRP 13 HZ3 TRP 13 3.191 1.698 -6.220
114 HH2 TRP 13 HH2 TRP 13 3.116 4.143 -5.818
115 H GLU 14 H GLU 14 -0.714 0.681 -1.133
116 HA GLU 14 HA GLU 14 1.909 1.914 -1.445
117 HB2 GLU 14 HB2 GLU 14 -0.509 2.159 0.266
118 HB3 GLU 14 HB3 GLU 14 0.997 2.764 0.959
119 HG2 GLU 14 HG2 GLU 14 1.307 3.902 -1.383
120 HG3 GLU 14 HG3 GLU 14 -0.432 3.662 -1.526
121 H ASN 15 H ASN 15 0.474 -0.183 1.109
122 HA ASN 15 HA ASN 15 2.710 -0.405 2.805
123 HB2 ASN 15 HB2 ASN 15 0.226 -1.427 2.753
124 HB3 ASN 15 HB3 ASN 15 1.104 -2.855 2.205
125 HD21 ASN 15 HD21 ASN 15 3.473 -2.741 3.691
126 HD22 ASN 15 HD22 ASN 15 3.120 -2.806 5.350
127 H TRP 16 H TRP 16 2.011 -2.219 -0.193
128 HA TRP 16 HA TRP 16 4.403 -3.890 0.020
129 HB2 TRP 16 HB2 TRP 16 2.656 -4.866 -1.204
130 HB3 TRP 16 HB3 TRP 16 2.220 -3.346 -1.980
131 HD1 TRP 16 HD1 TRP 16 4.890 -6.106 -2.119
132 HE1 TRP 16 HE1 TRP 16 6.000 -6.051 -4.444
133 HE3 TRP 16 HE3 TRP 16 2.678 -1.926 -4.051
134 HZ2 TRP 16 HZ2 TRP 16 5.960 -4.445 -6.807
135 HZ3 TRP 16 HZ3 TRP 16 3.235 -1.156 -6.340
136 HH2 TRP 16 HH2 TRP 16 4.871 -2.408 -7.720
137 H PHE 17 H PHE 17 3.441 -1.035 -1.924
138 HA PHE 17 HA PHE 17 5.780 -0.725 -3.481
139 HB2 PHE 17 HB2 PHE 17 3.594 0.504 -3.657
140 HB3 PHE 17 HB3 PHE 17 4.050 1.436 -2.232
141 HD1 PHE 17 HD1 PHE 17 5.410 0.445 -5.590
142 HD2 PHE 17 HD2 PHE 17 5.182 3.453 -2.532
143 HE1 PHE 17 HE2 PHE 17 6.699 2.002 -7.025
144 HE2 PHE 17 HE1 PHE 17 6.469 5.011 -3.969
145 HZ PHE 17 HZ PHE 17 7.228 4.286 -6.216
146 H TRP 18 H TRP 18 5.035 0.854 -0.334
147 HA TRP 18 HA TRP 18 7.588 2.083 0.032
148 HB2 TRP 18 HB2 TRP 18 5.562 1.030 2.037
149 HB3 TRP 18 HB3 TRP 18 6.848 2.173 2.415
150 HD1 TRP 18 HD1 TRP 18 3.482 2.524 2.278
151 HE1 TRP 18 HE1 TRP 18 2.624 4.642 1.086
152 HE3 TRP 18 HE3 TRP 18 7.649 3.780 -0.405
153 HZ2 TRP 18 HZ2 TRP 18 3.579 6.606 -0.757
154 HZ3 TRP 18 HZ3 TRP 18 7.644 5.778 -1.867
155 HH2 TRP 18 HH2 TRP 18 5.616 7.193 -2.046
156 H ASN 19 H ASN 19 6.443 -1.193 0.749
157 HA ASN 19 HA ASN 19 8.558 -2.107 2.418
158 HB2 ASN 19 HB2 ASN 19 6.250 -3.093 1.280
159 HB3 ASN 19 HB3 ASN 19 7.493 -4.010 0.432
160 HD21 ASN 19 HD21 ASN 19 5.635 -3.975 3.259
161 HD22 ASN 19 HD22 ASN 19 6.590 -5.020 4.197
162 H VAL 20 H VAL 20 8.336 -1.951 -1.146
163 HA VAL 20 HA VAL 20 11.123 -3.016 -1.349
164 HB VAL 20 HB VAL 20 10.505 -3.338 -3.740
165 HG11 VAL 20 HG11 VAL 20 9.142 -5.214 -3.368
166 HG12 VAL 20 HG12 VAL 20 8.249 -4.426 -2.067
167 HG13 VAL 20 HG13 VAL 20 9.907 -4.965 -1.798
168 HG21 VAL 20 HG21 VAL 20 8.892 -1.375 -3.791
169 HG22 VAL 20 HG22 VAL 20 7.739 -2.394 -2.928
170 HG23 VAL 20 HG23 VAL 20 8.285 -2.852 -4.540
171 H THR 21 H THR 21 9.220 -0.099 -1.911
172 HA THR 21 HA THR 21 11.288 1.200 -3.538
173 HB THR 21 HB THR 21 8.781 2.234 -2.175
174 HG1 THR 21 HG1 THR 21 9.314 1.238 -4.776
175 HG21 THR 21 HG21 THR 21 10.810 3.474 -3.973
176 HG22 THR 21 HG22 THR 21 9.840 4.207 -2.696
177 HG23 THR 21 HG23 THR 21 9.117 3.871 -4.268
178 H LEU 22 H LEU 22 10.012 1.652 -0.223
179 HA LEU 22 HA LEU 22 12.080 3.615 0.437
180 HB2 LEU 22 HB2 LEU 22 9.877 2.181 1.924
181 HB3 LEU 22 HB3 LEU 22 11.010 3.236 2.766
182 HG LEU 22 HG LEU 22 9.398 4.115 0.356
183 HD11 LEU 22 HD11 LEU 22 7.762 5.002 1.785
184 HD12 LEU 22 HD12 LEU 22 8.816 4.923 3.197
185 HD13 LEU 22 HD13 LEU 22 8.116 3.447 2.536
186 HD21 LEU 22 HD21 LEU 22 9.978 6.382 1.522
187 HD22 LEU 22 HD22 LEU 22 11.232 5.571 0.584
188 HD23 LEU 22 HD23 LEU 22 11.230 5.450 2.344
189 H ARG 23 H ARG 23 11.298 0.660 2.265
190 HA ARG 23 HA ARG 23 12.711 -0.873 3.373
191 HB2 ARG 23 HB2 ARG 23 12.997 -1.150 0.777
192 HB3 ARG 23 HB3 ARG 23 14.593 -0.453 1.056
193 HG2 ARG 23 HG2 ARG 23 15.311 -2.262 2.339
194 HG3 ARG 23 HG3 ARG 23 13.669 -2.721 2.792
195 HD2 ARG 23 HD2 ARG 23 14.211 -4.380 1.212
196 HD3 ARG 23 HD3 ARG 23 13.398 -3.175 0.194
197 HE ARG 23 HE ARG 23 15.920 -2.255 0.039
198 HH11 ARG 23 HH11 ARG 23 17.081 -4.797 1.045
199 HH12 ARG 23 HH12 ARG 23 17.330 -5.703 -0.409
200 HH21 ARG 23 HH21 ARG 23 15.216 -3.712 -2.322
201 HH22 ARG 23 HH22 ARG 23 16.272 -5.086 -2.325
202 HA PRO 24 HA PRO 24 15.578 2.489 4.787
203 HB2 PRO 24 HB2 PRO 24 14.602 2.717 7.331
204 HB3 PRO 24 HB3 PRO 24 13.935 3.619 5.957
205 HG2 PRO 24 HG2 PRO 24 12.867 1.241 7.351
206 HG3 PRO 24 HG3 PRO 24 12.011 2.564 6.549
207 HD2 PRO 24 HD2 PRO 24 12.427 0.017 5.500
208 HD3 PRO 24 HD3 PRO 24 11.943 1.456 4.578
209 H GLU 25 H GLU 25 16.781 0.239 4.500
210 HA GLU 25 HA GLU 25 18.220 -1.401 5.396
211 HB2 GLU 25 HB2 GLU 25 18.603 1.071 6.585
212 HB3 GLU 25 HB3 GLU 25 18.457 -0.002 7.975
213 HG2 GLU 25 HG2 GLU 25 20.299 -1.312 7.316
214 HG3 GLU 25 HG3 GLU 25 20.225 -0.740 5.649
215 H ARG 26 H ARG 26 15.783 -2.432 5.591
216 HA ARG 26 HA ARG 26 14.430 -3.951 6.771
217 HB2 ARG 26 HB2 ARG 26 16.772 -4.846 7.131
218 HB3 ARG 26 HB3 ARG 26 16.799 -3.990 8.672
219 HG2 ARG 26 HG2 ARG 26 16.094 -6.169 9.251
220 HG3 ARG 26 HG3 ARG 26 14.595 -5.242 9.186
221 HD2 ARG 26 HD2 ARG 26 14.413 -6.012 6.730
222 HD3 ARG 26 HD3 ARG 26 15.667 -7.200 7.141
223 HE ARG 26 HE ARG 26 14.116 -7.919 9.033
224 HH11 ARG 26 HH11 ARG 26 13.080 -8.810 6.346
225 HH12 ARG 26 HH12 ARG 26 11.424 -8.314 6.421
226 HH21 ARG 26 HH21 ARG 26 11.918 -6.163 9.106
227 HH22 ARG 26 HH22 ARG 26 10.761 -6.809 7.990
Start of MODEL 25
1 HA ARG 1 HA ARG 1 -17.617 -0.809 -7.491
2 HB2 ARG 1 HB2 ARG 1 -20.228 0.195 -8.187
3 HB3 ARG 1 HB3 ARG 1 -19.651 1.045 -6.754
4 HG2 ARG 1 HG2 ARG 1 -17.667 1.772 -7.858
5 HG3 ARG 1 HG3 ARG 1 -17.913 0.651 -9.198
6 HD2 ARG 1 HD2 ARG 1 -19.861 1.898 -9.963
7 HD3 ARG 1 HD3 ARG 1 -19.780 2.961 -8.544
8 HE ARG 1 HE ARG 1 -17.254 2.913 -9.974
9 HH11 ARG 1 HH11 ARG 1 -18.225 5.403 -8.773
10 HH12 ARG 1 HH12 ARG 1 -18.779 6.319 -10.134
11 HH21 ARG 1 HH21 ARG 1 -18.929 3.567 -12.254
12 HH22 ARG 1 HH22 ARG 1 -19.178 5.275 -12.113
13 H SER 2 H SER 2 -16.847 -0.178 -5.430
14 HA SER 2 HA SER 2 -18.602 -0.550 -3.057
15 HB2 SER 2 HB2 SER 2 -16.882 -2.541 -4.042
16 HB3 SER 2 HB3 SER 2 -16.012 -1.828 -2.688
17 HG SER 2 HG SER 2 -18.455 -3.193 -2.757
18 H ALA 3 H ALA 3 -17.729 0.502 -1.154
19 HA ALA 3 HA ALA 3 -15.753 2.644 -1.786
20 HB1 ALA 3 HB1 ALA 3 -16.727 3.698 0.213
21 HB2 ALA 3 HB2 ALA 3 -17.638 2.227 0.558
22 HB3 ALA 3 HB3 ALA 3 -18.009 3.178 -0.881
23 H LEU 4 H LEU 4 -16.288 -0.063 0.466
24 HA LEU 4 HA LEU 4 -13.874 0.534 2.022
25 HB2 LEU 4 HB2 LEU 4 -14.537 -1.477 3.252
26 HB3 LEU 4 HB3 LEU 4 -15.951 -0.467 2.968
27 HG LEU 4 HG LEU 4 -15.680 -2.210 0.722
28 HD11 LEU 4 HD11 LEU 4 -14.309 -3.638 2.216
29 HD12 LEU 4 HD12 LEU 4 -15.846 -4.404 1.817
30 HD13 LEU 4 HD13 LEU 4 -15.622 -3.647 3.394
31 HD21 LEU 4 HD21 LEU 4 -17.622 -2.209 3.056
32 HD22 LEU 4 HD22 LEU 4 -17.894 -2.992 1.499
33 HD23 LEU 4 HD23 LEU 4 -17.775 -1.235 1.593
34 H VAL 5 H VAL 5 -14.638 -1.362 -0.801
35 HA VAL 5 HA VAL 5 -12.448 -3.248 -0.641
36 HB VAL 5 HB VAL 5 -14.141 -2.161 -2.916
37 HG11 VAL 5 HG11 VAL 5 -13.341 -4.298 -4.080
38 HG12 VAL 5 HG12 VAL 5 -12.069 -4.366 -2.860
39 HG13 VAL 5 HG13 VAL 5 -12.161 -2.993 -3.962
40 HG21 VAL 5 HG21 VAL 5 -15.433 -3.418 -1.297
41 HG22 VAL 5 HG22 VAL 5 -14.219 -4.696 -1.250
42 HG23 VAL 5 HG23 VAL 5 -15.186 -4.452 -2.704
43 H ASN 6 H ASN 6 -12.857 -0.137 -2.379
44 HA ASN 6 HA ASN 6 -10.276 -0.066 -3.605
45 HB2 ASN 6 HB2 ASN 6 -12.555 1.424 -3.658
46 HB3 ASN 6 HB3 ASN 6 -11.516 2.477 -2.697
47 HD21 ASN 6 HD21 ASN 6 -12.383 1.841 -5.865
48 HD22 ASN 6 HD22 ASN 6 -10.988 2.412 -6.646
49 H SER 7 H SER 7 -11.397 1.026 -0.399
50 HA SER 7 HA SER 7 -9.018 2.398 0.418
51 HB2 SER 7 HB2 SER 7 -11.403 2.274 1.436
52 HB3 SER 7 HB3 SER 7 -10.847 0.797 2.217
53 HG SER 7 HG SER 7 -10.403 2.455 3.608
54 H TYR 8 H TYR 8 -10.049 -1.003 0.914
55 HA TYR 8 HA TYR 8 -7.647 -1.816 2.297
56 HB2 TYR 8 HB2 TYR 8 -9.138 -3.478 2.676
57 HB3 TYR 8 HB3 TYR 8 -10.176 -2.891 1.386
58 HD1 TYR 8 HD1 TYR 8 -7.136 -4.973 2.035
59 HD2 TYR 8 HD2 TYR 8 -10.389 -4.093 -0.629
60 HE1 TYR 8 HE2 TYR 8 -6.545 -6.950 0.658
61 HE2 TYR 8 HE1 TYR 8 -9.799 -6.068 -2.004
62 HH TYR 8 HH TYR 8 -8.614 -8.192 -1.769
63 H LEU 9 H LEU 9 -8.642 -1.899 -1.131
64 HA LEU 9 HA LEU 9 -6.343 -3.342 -2.118
65 HB2 LEU 9 HB2 LEU 9 -8.753 -2.441 -3.088
66 HB3 LEU 9 HB3 LEU 9 -7.631 -1.330 -3.865
67 HG LEU 9 HG LEU 9 -8.008 -3.314 -5.275
68 HD11 LEU 9 HD11 LEU 9 -5.750 -2.164 -5.155
69 HD12 LEU 9 HD12 LEU 9 -5.708 -3.832 -5.727
70 HD13 LEU 9 HD13 LEU 9 -5.235 -3.455 -4.070
71 HD21 LEU 9 HD21 LEU 9 -7.313 -5.534 -4.524
72 HD22 LEU 9 HD22 LEU 9 -8.512 -4.887 -3.405
73 HD23 LEU 9 HD23 LEU 9 -6.803 -4.877 -2.969
74 H TRP 10 H TRP 10 -7.089 0.148 -1.857
75 HA TRP 10 HA TRP 10 -4.699 1.147 -3.054
76 HB2 TRP 10 HB2 TRP 10 -6.772 2.430 -2.540
77 HB3 TRP 10 HB3 TRP 10 -6.398 2.311 -0.823
78 HD1 TRP 10 HD1 TRP 10 -5.936 4.825 -0.369
79 HE1 TRP 10 HE1 TRP 10 -4.104 6.470 -1.129
80 HE3 TRP 10 HE3 TRP 10 -3.757 2.079 -4.086
81 HZ2 TRP 10 HZ2 TRP 10 -2.000 6.609 -3.058
82 HZ3 TRP 10 HZ3 TRP 10 -1.846 2.991 -5.367
83 HH2 TRP 10 HH2 TRP 10 -0.963 5.251 -4.858
84 H GLN 11 H GLN 11 -5.402 0.182 0.308
85 HA GLN 11 HA GLN 11 -2.966 1.126 1.486
86 HB2 GLN 11 HB2 GLN 11 -5.052 0.383 2.667
87 HB3 GLN 11 HB3 GLN 11 -4.679 -1.280 2.210
88 HG2 GLN 11 HG2 GLN 11 -2.307 -0.482 3.332
89 HG3 GLN 11 HG3 GLN 11 -3.474 0.408 4.310
90 HE21 GLN 11 HE21 GLN 11 -4.433 -0.763 5.988
91 HE22 GLN 11 HE22 GLN 11 -4.456 -2.456 6.096
92 H ARG 12 H ARG 12 -3.844 -2.121 0.219
93 HA ARG 12 HA ARG 12 -1.307 -3.375 0.621
94 HB2 ARG 12 HB2 ARG 12 -3.829 -3.830 -0.776
95 HB3 ARG 12 HB3 ARG 12 -2.465 -4.459 -1.698
96 HG2 ARG 12 HG2 ARG 12 -2.203 -6.177 -0.265
97 HG3 ARG 12 HG3 ARG 12 -2.157 -5.083 1.117
98 HD2 ARG 12 HD2 ARG 12 -4.717 -4.955 0.914
99 HD3 ARG 12 HD3 ARG 12 -4.584 -6.354 -0.171
100 HE ARG 12 HE ARG 12 -3.278 -7.455 1.752
101 HH11 ARG 12 HH11 ARG 12 -3.540 -4.900 3.457
102 HH12 ARG 12 HH12 ARG 12 -4.808 -5.368 4.539
103 HH21 ARG 12 HH21 ARG 12 -5.810 -8.082 2.612
104 HH22 ARG 12 HH22 ARG 12 -6.099 -7.176 4.059
105 H TRP 13 H TRP 13 -2.561 -1.374 -2.026
106 HA TRP 13 HA TRP 13 -0.565 -1.731 -4.004
107 HB2 TRP 13 HB2 TRP 13 -2.771 -0.073 -3.453
108 HB3 TRP 13 HB3 TRP 13 -1.422 1.039 -3.649
109 HD1 TRP 13 HD1 TRP 13 -3.881 0.593 -5.712
110 HE1 TRP 13 HE1 TRP 13 -3.313 0.057 -8.172
111 HE3 TRP 13 HE3 TRP 13 0.899 -1.105 -5.160
112 HZ2 TRP 13 HZ2 TRP 13 -1.117 -0.957 -9.698
113 HZ3 TRP 13 HZ3 TRP 13 2.207 -1.848 -7.130
114 HH2 TRP 13 HH2 TRP 13 1.206 -1.774 -9.396
115 H GLU 14 H GLU 14 -0.705 0.681 -1.384
116 HA GLU 14 HA GLU 14 2.000 1.670 -1.867
117 HB2 GLU 14 HB2 GLU 14 0.125 2.053 0.491
118 HB3 GLU 14 HB3 GLU 14 1.444 3.119 0.006
119 HG2 GLU 14 HG2 GLU 14 0.251 3.434 -2.209
120 HG3 GLU 14 HG3 GLU 14 -1.121 2.570 -1.516
121 H ASN 15 H ASN 15 0.464 -0.646 0.331
122 HA ASN 15 HA ASN 15 2.389 -0.996 2.337
123 HB2 ASN 15 HB2 ASN 15 0.091 -2.229 1.529
124 HB3 ASN 15 HB3 ASN 15 1.277 -3.461 1.103
125 HD21 ASN 15 HD21 ASN 15 3.139 -3.371 3.124
126 HD22 ASN 15 HD22 ASN 15 2.412 -3.635 4.633
127 H TRP 16 H TRP 16 2.324 -2.584 -0.883
128 HA TRP 16 HA TRP 16 4.908 -3.877 -0.535
129 HB2 TRP 16 HB2 TRP 16 3.511 -4.932 -2.089
130 HB3 TRP 16 HB3 TRP 16 2.910 -3.405 -2.734
131 HD1 TRP 16 HD1 TRP 16 5.973 -5.715 -2.878
132 HE1 TRP 16 HE1 TRP 16 7.315 -5.168 -5.011
133 HE3 TRP 16 HE3 TRP 16 3.388 -1.629 -4.529
134 HZ2 TRP 16 HZ2 TRP 16 7.294 -3.255 -7.136
135 HZ3 TRP 16 HZ3 TRP 16 4.071 -0.465 -6.606
136 HH2 TRP 16 HH2 TRP 16 6.019 -1.272 -7.911
137 H PHE 17 H PHE 17 3.770 -0.960 -2.270
138 HA PHE 17 HA PHE 17 6.169 -0.134 -3.493
139 HB2 PHE 17 HB2 PHE 17 3.821 0.816 -3.682
140 HB3 PHE 17 HB3 PHE 17 4.108 1.643 -2.151
141 HD1 PHE 17 HD1 PHE 17 5.235 1.346 -5.675
142 HD2 PHE 17 HD2 PHE 17 5.512 3.587 -2.021
143 HE1 PHE 17 HE2 PHE 17 6.419 3.162 -6.878
144 HE2 PHE 17 HE1 PHE 17 6.697 5.402 -3.224
145 HZ PHE 17 HZ PHE 17 7.150 5.191 -5.653
146 H TRP 18 H TRP 18 4.971 0.709 -0.214
147 HA TRP 18 HA TRP 18 7.351 2.188 0.523
148 HB2 TRP 18 HB2 TRP 18 5.137 0.865 2.128
149 HB3 TRP 18 HB3 TRP 18 6.332 1.963 2.814
150 HD1 TRP 18 HD1 TRP 18 3.006 2.281 2.232
151 HE1 TRP 18 HE1 TRP 18 2.266 4.531 1.217
152 HE3 TRP 18 HE3 TRP 18 7.480 3.935 0.397
153 HZ2 TRP 18 HZ2 TRP 18 3.419 6.739 -0.187
154 HZ3 TRP 18 HZ3 TRP 18 7.627 6.113 -0.772
155 HH2 TRP 18 HH2 TRP 18 5.604 7.516 -1.066
156 H ASN 19 H ASN 19 6.272 -1.180 1.019
157 HA ASN 19 HA ASN 19 8.405 -2.010 2.736
158 HB2 ASN 19 HB2 ASN 19 6.167 -3.139 2.037
159 HB3 ASN 19 HB3 ASN 19 7.075 -3.749 0.654
160 HD21 ASN 19 HD21 ASN 19 6.723 -3.967 4.170
161 HD22 ASN 19 HD22 ASN 19 7.748 -5.307 4.366
162 H VAL 20 H VAL 20 8.069 -2.488 -0.819
163 HA VAL 20 HA VAL 20 10.742 -3.483 -1.187
164 HB VAL 20 HB VAL 20 8.686 -3.739 -2.665
165 HG11 VAL 20 HG11 VAL 20 9.504 -1.165 -3.974
166 HG12 VAL 20 HG12 VAL 20 8.398 -1.114 -2.603
167 HG13 VAL 20 HG13 VAL 20 7.962 -2.018 -4.052
168 HG21 VAL 20 HG21 VAL 20 9.988 -3.856 -4.706
169 HG22 VAL 20 HG22 VAL 20 11.034 -4.316 -3.361
170 HG23 VAL 20 HG23 VAL 20 11.167 -2.706 -4.073
171 H THR 21 H THR 21 9.518 -0.193 -0.928
172 HA THR 21 HA THR 21 11.948 0.958 -2.164
173 HB THR 21 HB THR 21 9.459 2.135 -0.896
174 HG1 THR 21 HG1 THR 21 8.760 1.567 -2.792
175 HG21 THR 21 HG21 THR 21 11.788 3.471 -2.298
176 HG22 THR 21 HG22 THR 21 11.243 3.745 -0.643
177 HG23 THR 21 HG23 THR 21 10.239 4.260 -1.998
178 H LEU 22 H LEU 22 10.495 0.623 1.058
179 HA LEU 22 HA LEU 22 12.678 2.154 2.329
180 HB2 LEU 22 HB2 LEU 22 10.314 0.614 3.449
181 HB3 LEU 22 HB3 LEU 22 11.355 1.690 4.378
182 HG LEU 22 HG LEU 22 9.903 2.656 1.910
183 HD11 LEU 22 HD11 LEU 22 8.899 2.768 4.771
184 HD12 LEU 22 HD12 LEU 22 8.249 1.708 3.519
185 HD13 LEU 22 HD13 LEU 22 8.104 3.458 3.356
186 HD21 LEU 22 HD21 LEU 22 11.291 3.894 4.282
187 HD22 LEU 22 HD22 LEU 22 10.086 4.808 3.376
188 HD23 LEU 22 HD23 LEU 22 11.536 4.217 2.566
189 H ARG 23 H ARG 23 11.548 -1.213 2.167
190 HA ARG 23 HA ARG 23 14.261 -2.160 2.904
191 HB2 ARG 23 HB2 ARG 23 12.395 -1.724 4.863
192 HB3 ARG 23 HB3 ARG 23 12.061 -3.405 4.455
193 HG2 ARG 23 HG2 ARG 23 13.717 -3.565 6.129
194 HG3 ARG 23 HG3 ARG 23 14.626 -3.746 4.631
195 HD2 ARG 23 HD2 ARG 23 15.825 -2.163 6.033
196 HD3 ARG 23 HD3 ARG 23 15.072 -1.236 4.723
197 HE ARG 23 HE ARG 23 13.244 -0.651 6.312
198 HH11 ARG 23 HH11 ARG 23 13.733 -2.766 8.368
199 HH12 ARG 23 HH12 ARG 23 14.540 -1.882 9.620
200 HH21 ARG 23 HH21 ARG 23 15.328 0.812 7.570
201 HH22 ARG 23 HH22 ARG 23 15.448 0.152 9.166
202 HA PRO 24 HA PRO 24 12.198 -4.804 -0.226
203 HB2 PRO 24 HB2 PRO 24 14.457 -5.264 -1.701
204 HB3 PRO 24 HB3 PRO 24 13.441 -3.824 -1.907
205 HG2 PRO 24 HG2 PRO 24 16.033 -4.124 -0.492
206 HG3 PRO 24 HG3 PRO 24 15.411 -2.764 -1.438
207 HD2 PRO 24 HD2 PRO 24 15.450 -2.861 1.310
208 HD3 PRO 24 HD3 PRO 24 14.347 -1.848 0.354
209 H GLU 25 H GLU 25 12.260 -6.147 1.935
210 HA GLU 25 HA GLU 25 14.450 -8.167 1.989
211 HB2 GLU 25 HB2 GLU 25 12.217 -7.283 3.819
212 HB3 GLU 25 HB3 GLU 25 13.055 -8.808 4.105
213 HG2 GLU 25 HG2 GLU 25 15.231 -7.531 4.048
214 HG3 GLU 25 HG3 GLU 25 14.287 -6.042 3.996
215 H ARG 26 H ARG 26 10.893 -7.952 1.685
216 HA ARG 26 HA ARG 26 10.858 -10.415 0.062
217 HB2 ARG 26 HB2 ARG 26 10.808 -10.880 2.647
218 HB3 ARG 26 HB3 ARG 26 9.137 -10.326 2.535
219 HG2 ARG 26 HG2 ARG 26 9.591 -12.128 0.369
220 HG3 ARG 26 HG3 ARG 26 10.206 -12.892 1.834
221 HD2 ARG 26 HD2 ARG 26 7.891 -13.501 1.739
222 HD3 ARG 26 HD3 ARG 26 7.962 -12.180 2.923
223 HE ARG 26 HE ARG 26 7.039 -10.683 1.267
224 HH11 ARG 26 HH11 ARG 26 5.477 -13.346 0.859
225 HH12 ARG 26 HH12 ARG 26 5.422 -13.402 -0.871
226 HH21 ARG 26 HH21 ARG 26 7.876 -10.972 -1.287
227 HH22 ARG 26 HH22 ARG 26 6.787 -12.054 -2.091
Start of MODEL 26
1 HA ARG 1 HA ARG 1 -16.917 3.533 -4.635
2 HB2 ARG 1 HB2 ARG 1 -14.386 3.667 -5.700
3 HB3 ARG 1 HB3 ARG 1 -14.323 2.126 -4.846
4 HG2 ARG 1 HG2 ARG 1 -16.326 1.355 -6.018
5 HG3 ARG 1 HG3 ARG 1 -16.486 2.918 -6.818
6 HD2 ARG 1 HD2 ARG 1 -14.246 2.567 -7.884
7 HD3 ARG 1 HD3 ARG 1 -14.199 0.945 -7.165
8 HE ARG 1 HE ARG 1 -16.375 0.510 -8.410
9 HH11 ARG 1 HH11 ARG 1 -16.784 3.316 -9.395
10 HH12 ARG 1 HH12 ARG 1 -16.196 3.220 -11.022
11 HH21 ARG 1 HH21 ARG 1 -14.496 0.232 -10.509
12 HH22 ARG 1 HH22 ARG 1 -14.897 1.467 -11.656
13 H SER 2 H SER 2 -17.934 2.226 -3.166
14 HA SER 2 HA SER 2 -18.302 0.825 -1.306
15 HB2 SER 2 HB2 SER 2 -16.680 -0.453 -2.846
16 HB3 SER 2 HB3 SER 2 -15.410 0.029 -1.724
17 HG SER 2 HG SER 2 -16.614 -2.064 -1.388
18 H ALA 3 H ALA 3 -16.151 0.010 0.595
19 HA ALA 3 HA ALA 3 -15.266 2.583 1.792
20 HB1 ALA 3 HB1 ALA 3 -17.531 2.279 2.613
21 HB2 ALA 3 HB2 ALA 3 -16.418 1.918 3.933
22 HB3 ALA 3 HB3 ALA 3 -17.193 0.604 3.047
23 H LEU 4 H LEU 4 -15.579 -0.933 2.524
24 HA LEU 4 HA LEU 4 -12.860 -0.874 3.749
25 HB2 LEU 4 HB2 LEU 4 -15.088 -1.828 4.760
26 HB3 LEU 4 HB3 LEU 4 -14.753 -3.214 3.722
27 HG LEU 4 HG LEU 4 -12.301 -2.841 4.849
28 HD11 LEU 4 HD11 LEU 4 -12.629 -2.410 7.250
29 HD12 LEU 4 HD12 LEU 4 -14.350 -2.137 6.975
30 HD13 LEU 4 HD13 LEU 4 -13.162 -1.023 6.299
31 HD21 LEU 4 HD21 LEU 4 -14.565 -4.408 6.127
32 HD22 LEU 4 HD22 LEU 4 -12.841 -4.760 6.245
33 HD23 LEU 4 HD23 LEU 4 -13.673 -4.939 4.701
34 H VAL 5 H VAL 5 -14.029 -1.375 0.697
35 HA VAL 5 HA VAL 5 -12.321 -3.753 0.116
36 HB VAL 5 HB VAL 5 -14.350 -2.203 -1.538
37 HG11 VAL 5 HG11 VAL 5 -14.223 -4.359 -2.941
38 HG12 VAL 5 HG12 VAL 5 -12.715 -4.685 -2.086
39 HG13 VAL 5 HG13 VAL 5 -12.869 -3.238 -3.082
40 HG21 VAL 5 HG21 VAL 5 -15.611 -4.444 -1.209
41 HG22 VAL 5 HG22 VAL 5 -15.555 -3.335 0.162
42 HG23 VAL 5 HG23 VAL 5 -14.479 -4.732 0.112
43 H ASN 6 H ASN 6 -12.955 -0.507 -1.300
44 HA ASN 6 HA ASN 6 -10.582 -0.449 -2.924
45 HB2 ASN 6 HB2 ASN 6 -12.875 1.134 -2.380
46 HB3 ASN 6 HB3 ASN 6 -11.477 2.172 -2.102
47 HD21 ASN 6 HD21 ASN 6 -12.895 -0.042 -4.554
48 HD22 ASN 6 HD22 ASN 6 -12.163 0.721 -5.883
49 H SER 7 H SER 7 -11.232 0.609 0.417
50 HA SER 7 HA SER 7 -8.895 2.136 0.922
51 HB2 SER 7 HB2 SER 7 -10.630 0.304 2.592
52 HB3 SER 7 HB3 SER 7 -9.300 1.215 3.303
53 HG SER 7 HG SER 7 -11.750 2.051 2.721
54 H TYR 8 H TYR 8 -9.425 -1.389 1.285
55 HA TYR 8 HA TYR 8 -6.682 -1.981 2.023
56 HB2 TYR 8 HB2 TYR 8 -8.322 -3.551 2.684
57 HB3 TYR 8 HB3 TYR 8 -9.119 -3.515 1.112
58 HD1 TYR 8 HD1 TYR 8 -5.865 -4.456 2.722
59 HD2 TYR 8 HD2 TYR 8 -8.642 -5.171 -0.477
60 HE1 TYR 8 HE1 TYR 8 -4.507 -6.393 1.975
61 HE2 TYR 8 HE2 TYR 8 -7.287 -7.110 -1.221
62 HH TYR 8 HH TYR 8 -5.169 -8.660 0.549
63 H LEU 9 H LEU 9 -8.530 -2.013 -1.031
64 HA LEU 9 HA LEU 9 -6.592 -3.189 -2.744
65 HB2 LEU 9 HB2 LEU 9 -8.876 -1.257 -2.997
66 HB3 LEU 9 HB3 LEU 9 -7.842 -1.508 -4.399
67 HG LEU 9 HG LEU 9 -9.152 -3.763 -2.854
68 HD11 LEU 9 HD11 LEU 9 -10.001 -2.723 -5.561
69 HD12 LEU 9 HD12 LEU 9 -10.720 -2.115 -4.070
70 HD13 LEU 9 HD13 LEU 9 -10.871 -3.821 -4.490
71 HD21 LEU 9 HD21 LEU 9 -7.319 -4.665 -4.022
72 HD22 LEU 9 HD22 LEU 9 -7.504 -3.543 -5.370
73 HD23 LEU 9 HD23 LEU 9 -8.643 -4.874 -5.168
74 H TRP 10 H TRP 10 -7.082 0.249 -1.866
75 HA TRP 10 HA TRP 10 -4.799 1.201 -3.401
76 HB2 TRP 10 HB2 TRP 10 -6.499 2.780 -3.021
77 HB3 TRP 10 HB3 TRP 10 -6.723 2.280 -1.346
78 HD1 TRP 10 HD1 TRP 10 -4.217 4.190 -3.563
79 HE1 TRP 10 HE1 TRP 10 -2.893 5.823 -2.071
80 HE3 TRP 10 HE3 TRP 10 -6.027 2.861 1.023
81 HZ2 TRP 10 HZ2 TRP 10 -2.636 6.477 0.701
82 HZ3 TRP 10 HZ3 TRP 10 -5.225 4.001 3.070
83 HH2 TRP 10 HH2 TRP 10 -3.533 5.807 2.915
84 H GLN 11 H GLN 11 -5.389 0.658 0.106
85 HA GLN 11 HA GLN 11 -2.839 1.422 1.080
86 HB2 GLN 11 HB2 GLN 11 -5.025 0.788 2.291
87 HB3 GLN 11 HB3 GLN 11 -4.493 -0.885 2.129
88 HG2 GLN 11 HG2 GLN 11 -3.592 -0.350 4.203
89 HG3 GLN 11 HG3 GLN 11 -2.241 0.063 3.148
90 HE21 GLN 11 HE21 GLN 11 -1.574 2.258 3.099
91 HE22 GLN 11 HE22 GLN 11 -2.375 3.504 3.927
92 H ARG 12 H ARG 12 -3.938 -1.730 -0.194
93 HA ARG 12 HA ARG 12 -1.587 -3.248 0.381
94 HB2 ARG 12 HB2 ARG 12 -3.946 -3.929 -0.429
95 HB3 ARG 12 HB3 ARG 12 -3.353 -3.570 -2.051
96 HG2 ARG 12 HG2 ARG 12 -1.481 -5.215 -0.514
97 HG3 ARG 12 HG3 ARG 12 -3.054 -5.988 -0.712
98 HD2 ARG 12 HD2 ARG 12 -1.618 -4.718 -3.056
99 HD3 ARG 12 HD3 ARG 12 -1.346 -6.409 -2.591
100 HE ARG 12 HE ARG 12 -4.078 -5.335 -3.205
101 HH11 ARG 12 HH11 ARG 12 -2.618 -6.648 -5.447
102 HH12 ARG 12 HH12 ARG 12 -3.156 -8.290 -5.332
103 HH21 ARG 12 HH21 ARG 12 -4.358 -7.937 -2.084
104 HH22 ARG 12 HH22 ARG 12 -4.148 -9.023 -3.416
105 H TRP 13 H TRP 13 -2.420 -1.173 -2.407
106 HA TRP 13 HA TRP 13 -0.133 -1.856 -4.019
107 HB2 TRP 13 HB2 TRP 13 -1.396 -0.608 -5.427
108 HB3 TRP 13 HB3 TRP 13 -2.439 -0.157 -4.087
109 HD1 TRP 13 HD1 TRP 13 -2.578 2.325 -3.653
110 HE1 TRP 13 HE1 TRP 13 -1.105 4.384 -4.142
111 HE3 TRP 13 HE3 TRP 13 1.466 0.040 -5.774
112 HZ2 TRP 13 HZ2 TRP 13 1.450 4.983 -5.277
113 HZ3 TRP 13 HZ3 TRP 13 3.403 1.377 -6.550
114 HH2 TRP 13 HH2 TRP 13 3.400 3.843 -6.304
115 H GLU 14 H GLU 14 -0.727 0.849 -1.739
116 HA GLU 14 HA GLU 14 1.937 1.958 -1.962
117 HB2 GLU 14 HB2 GLU 14 -0.420 2.205 -0.105
118 HB3 GLU 14 HB3 GLU 14 1.105 2.990 0.308
119 HG2 GLU 14 HG2 GLU 14 0.827 3.669 -2.340
120 HG3 GLU 14 HG3 GLU 14 -0.848 3.675 -1.789
121 H ASN 15 H ASN 15 0.455 -0.530 0.082
122 HA ASN 15 HA ASN 15 2.407 -0.769 2.126
123 HB2 ASN 15 HB2 ASN 15 0.160 -1.964 1.817
124 HB3 ASN 15 HB3 ASN 15 0.997 -3.055 0.714
125 HD21 ASN 15 HD21 ASN 15 2.957 -4.232 1.683
126 HD22 ASN 15 HD22 ASN 15 2.911 -4.618 3.335
127 H TRP 16 H TRP 16 2.265 -2.382 -1.076
128 HA TRP 16 HA TRP 16 4.871 -3.635 -0.839
129 HB2 TRP 16 HB2 TRP 16 3.349 -4.622 -2.353
130 HB3 TRP 16 HB3 TRP 16 2.858 -3.065 -3.018
131 HD1 TRP 16 HD1 TRP 16 5.662 -5.657 -3.186
132 HE1 TRP 16 HE1 TRP 16 7.097 -5.196 -5.276
133 HE3 TRP 16 HE3 TRP 16 3.593 -1.244 -4.723
134 HZ2 TRP 16 HZ2 TRP 16 7.328 -3.227 -7.335
135 HZ3 TRP 16 HZ3 TRP 16 4.442 -0.103 -6.754
136 HH2 TRP 16 HH2 TRP 16 6.304 -1.088 -8.057
137 H PHE 17 H PHE 17 3.663 -0.653 -2.390
138 HA PHE 17 HA PHE 17 5.996 0.244 -3.694
139 HB2 PHE 17 HB2 PHE 17 3.681 1.196 -3.788
140 HB3 PHE 17 HB3 PHE 17 3.924 1.866 -2.177
141 HD1 PHE 17 HD1 PHE 17 5.959 1.683 -5.337
142 HD2 PHE 17 HD2 PHE 17 4.380 4.143 -2.188
143 HE1 PHE 17 HE1 PHE 17 7.071 3.665 -6.326
144 HE2 PHE 17 HE2 PHE 17 5.493 6.125 -3.178
145 HZ PHE 17 HZ PHE 17 6.838 5.887 -5.248
146 H TRP 18 H TRP 18 5.160 0.385 -0.247
147 HA TRP 18 HA TRP 18 7.658 1.922 0.313
148 HB2 TRP 18 HB2 TRP 18 5.146 1.268 1.873
149 HB3 TRP 18 HB3 TRP 18 6.534 2.077 2.600
150 HD1 TRP 18 HD1 TRP 18 3.392 3.005 1.320
151 HE1 TRP 18 HE1 TRP 18 3.374 5.348 0.244
152 HE3 TRP 18 HE3 TRP 18 8.411 3.735 0.727
153 HZ2 TRP 18 HZ2 TRP 18 5.245 7.278 -0.733
154 HZ3 TRP 18 HZ3 TRP 18 9.265 5.833 -0.277
155 HH2 TRP 18 HH2 TRP 18 7.690 7.604 -1.006
156 H ASN 19 H ASN 19 5.968 -1.091 1.304
157 HA ASN 19 HA ASN 19 7.873 -2.036 3.182
158 HB2 ASN 19 HB2 ASN 19 5.548 -2.905 2.578
159 HB3 ASN 19 HB3 ASN 19 6.314 -3.740 1.225
160 HD21 ASN 19 HD21 ASN 19 7.597 -5.618 1.695
161 HD22 ASN 19 HD22 ASN 19 7.728 -6.270 3.255
162 H VAL 20 H VAL 20 7.852 -2.369 -0.377
163 HA VAL 20 HA VAL 20 10.073 -4.196 -0.560
164 HB VAL 20 HB VAL 20 8.987 -2.091 -2.467
165 HG11 VAL 20 HG11 VAL 20 11.262 -2.850 -3.097
166 HG12 VAL 20 HG12 VAL 20 10.048 -3.428 -4.238
167 HG13 VAL 20 HG13 VAL 20 10.713 -4.525 -3.027
168 HG21 VAL 20 HG21 VAL 20 7.352 -3.564 -3.008
169 HG22 VAL 20 HG22 VAL 20 7.725 -4.326 -1.462
170 HG23 VAL 20 HG23 VAL 20 8.448 -4.944 -2.947
171 H THR 21 H THR 21 9.876 -0.663 -0.320
172 HA THR 21 HA THR 21 12.800 -0.364 -0.718
173 HB THR 21 HB THR 21 10.857 1.821 0.006
174 HG1 THR 21 HG1 THR 21 9.802 1.522 -1.769
175 HG21 THR 21 HG21 THR 21 13.359 2.179 -0.309
176 HG22 THR 21 HG22 THR 21 12.313 3.188 -1.308
177 HG23 THR 21 HG23 THR 21 13.111 1.780 -2.008
178 H LEU 22 H LEU 22 10.471 -0.482 1.885
179 HA LEU 22 HA LEU 22 12.373 0.703 3.838
180 HB2 LEU 22 HB2 LEU 22 9.521 -0.304 4.019
181 HB3 LEU 22 HB3 LEU 22 10.386 0.466 5.348
182 HG LEU 22 HG LEU 22 9.993 1.792 2.649
183 HD11 LEU 22 HD11 LEU 22 8.411 2.340 5.170
184 HD12 LEU 22 HD12 LEU 22 7.832 1.259 3.903
185 HD13 LEU 22 HD13 LEU 22 8.114 2.962 3.547
186 HD21 LEU 22 HD21 LEU 22 10.452 3.841 4.072
187 HD22 LEU 22 HD22 LEU 22 11.822 2.744 3.900
188 HD23 LEU 22 HD23 LEU 22 10.876 2.746 5.388
189 H ARG 23 H ARG 23 11.822 -2.352 2.558
190 HA ARG 23 HA ARG 23 11.725 -4.160 4.703
191 HB2 ARG 23 HB2 ARG 23 12.533 -4.102 1.908
192 HB3 ARG 23 HB3 ARG 23 13.536 -5.222 2.831
193 HG2 ARG 23 HG2 ARG 23 11.693 -6.518 3.502
194 HG3 ARG 23 HG3 ARG 23 10.540 -5.229 3.152
195 HD2 ARG 23 HD2 ARG 23 10.316 -5.905 0.995
196 HD3 ARG 23 HD3 ARG 23 12.074 -6.016 0.778
197 HE ARG 23 HE ARG 23 11.994 -8.257 1.811
198 HH11 ARG 23 HH11 ARG 23 10.227 -8.615 -0.522
199 HH12 ARG 23 HH12 ARG 23 8.781 -9.264 0.173
200 HH21 ARG 23 HH21 ARG 23 9.592 -8.295 3.412
201 HH22 ARG 23 HH22 ARG 23 8.420 -9.083 2.410
202 HA PRO 24 HA PRO 24 16.481 -3.953 5.182
203 HB2 PRO 24 HB2 PRO 24 17.860 -1.970 3.893
204 HB3 PRO 24 HB3 PRO 24 17.541 -3.557 3.165
205 HG2 PRO 24 HG2 PRO 24 16.191 -0.954 2.698
206 HG3 PRO 24 HG3 PRO 24 16.552 -2.262 1.562
207 HD2 PRO 24 HD2 PRO 24 14.080 -1.803 2.667
208 HD3 PRO 24 HD3 PRO 24 14.623 -3.372 2.036
209 H GLU 25 H GLU 25 15.383 -3.109 7.175
210 HA GLU 25 HA GLU 25 16.422 -0.418 7.899
211 HB2 GLU 25 HB2 GLU 25 13.805 -0.846 7.063
212 HB3 GLU 25 HB3 GLU 25 13.672 -0.890 8.820
213 HG2 GLU 25 HG2 GLU 25 14.570 1.292 9.056
214 HG3 GLU 25 HG3 GLU 25 15.200 1.298 7.408
215 H ARG 26 H ARG 26 17.846 -2.042 9.088
216 HA ARG 26 HA ARG 26 18.500 -3.122 11.076
217 HB2 ARG 26 HB2 ARG 26 16.140 -1.464 12.032
218 HB3 ARG 26 HB3 ARG 26 17.322 -2.219 13.098
219 HG2 ARG 26 HG2 ARG 26 18.678 -0.445 12.833
220 HG3 ARG 26 HG3 ARG 26 18.778 -0.794 11.107
221 HD2 ARG 26 HD2 ARG 26 16.365 0.396 11.122
222 HD3 ARG 26 HD3 ARG 26 17.075 1.201 12.535
223 HE ARG 26 HE ARG 26 19.101 1.275 10.631
224 HH11 ARG 26 HH11 ARG 26 17.006 1.376 8.541
225 HH12 ARG 26 HH12 ARG 26 16.660 3.068 8.422
226 HH21 ARG 26 HH21 ARG 26 18.150 3.855 11.461
227 HH22 ARG 26 HH22 ARG 26 17.307 4.475 10.080
Start of MODEL 27
1 HA ARG 1 HA ARG 1 -18.947 1.062 -5.802
2 HB2 ARG 1 HB2 ARG 1 -20.323 -0.344 -7.503
3 HB3 ARG 1 HB3 ARG 1 -20.675 -1.400 -6.134
4 HG2 ARG 1 HG2 ARG 1 -21.927 0.215 -5.031
5 HG3 ARG 1 HG3 ARG 1 -21.073 1.551 -5.802
6 HD2 ARG 1 HD2 ARG 1 -23.199 1.553 -6.866
7 HD3 ARG 1 HD3 ARG 1 -22.167 0.675 -8.012
8 HE ARG 1 HE ARG 1 -23.279 -1.151 -6.074
9 HH11 ARG 1 HH11 ARG 1 -23.150 -1.908 -8.899
10 HH12 ARG 1 HH12 ARG 1 -24.796 -1.798 -9.423
11 HH21 ARG 1 HH21 ARG 1 -25.800 0.140 -6.715
12 HH22 ARG 1 HH22 ARG 1 -26.304 -0.634 -8.181
13 H SER 2 H SER 2 -17.108 0.124 -4.144
14 HA SER 2 HA SER 2 -18.644 -0.955 -1.825
15 HB2 SER 2 HB2 SER 2 -16.055 -2.065 -2.953
16 HB3 SER 2 HB3 SER 2 -16.787 -2.582 -1.438
17 HG SER 2 HG SER 2 -18.396 -3.527 -2.525
18 H ALA 3 H ALA 3 -17.527 -0.545 0.231
19 HA ALA 3 HA ALA 3 -15.768 1.859 0.104
20 HB1 ALA 3 HB1 ALA 3 -17.810 2.018 1.418
21 HB2 ALA 3 HB2 ALA 3 -16.440 1.999 2.528
22 HB3 ALA 3 HB3 ALA 3 -17.405 0.542 2.294
23 H LEU 4 H LEU 4 -15.866 -1.470 1.355
24 HA LEU 4 HA LEU 4 -13.226 -1.199 2.652
25 HB2 LEU 4 HB2 LEU 4 -15.356 -2.546 3.374
26 HB3 LEU 4 HB3 LEU 4 -14.769 -3.751 2.229
27 HG LEU 4 HG LEU 4 -12.469 -3.225 3.565
28 HD11 LEU 4 HD11 LEU 4 -12.848 -2.851 5.881
29 HD12 LEU 4 HD12 LEU 4 -14.582 -3.137 5.724
30 HD13 LEU 4 HD13 LEU 4 -13.868 -1.666 5.064
31 HD21 LEU 4 HD21 LEU 4 -14.621 -5.144 4.517
32 HD22 LEU 4 HD22 LEU 4 -12.885 -5.307 4.779
33 HD23 LEU 4 HD23 LEU 4 -13.547 -5.442 3.150
34 H VAL 5 H VAL 5 -13.989 -1.414 -0.519
35 HA VAL 5 HA VAL 5 -12.049 -3.565 -1.209
36 HB VAL 5 HB VAL 5 -14.054 -1.904 -2.769
37 HG11 VAL 5 HG11 VAL 5 -12.346 -2.291 -4.357
38 HG12 VAL 5 HG12 VAL 5 -13.460 -3.634 -4.606
39 HG13 VAL 5 HG13 VAL 5 -11.970 -3.882 -3.696
40 HG21 VAL 5 HG21 VAL 5 -15.147 -4.118 -3.059
41 HG22 VAL 5 HG22 VAL 5 -15.004 -3.681 -1.356
42 HG23 VAL 5 HG23 VAL 5 -13.892 -4.854 -2.063
43 H ASN 6 H ASN 6 -12.632 -0.083 -1.870
44 HA ASN 6 HA ASN 6 -10.240 0.383 -3.378
45 HB2 ASN 6 HB2 ASN 6 -12.347 1.816 -3.108
46 HB3 ASN 6 HB3 ASN 6 -11.668 2.350 -1.570
47 HD21 ASN 6 HD21 ASN 6 -11.044 2.324 -5.097
48 HD22 ASN 6 HD22 ASN 6 -9.962 3.632 -5.074
49 H SER 7 H SER 7 -10.897 0.658 0.141
50 HA SER 7 HA SER 7 -8.406 1.779 0.943
51 HB2 SER 7 HB2 SER 7 -10.529 1.379 2.294
52 HB3 SER 7 HB3 SER 7 -10.037 -0.308 2.425
53 HG SER 7 HG SER 7 -9.152 0.624 4.179
54 H TYR 8 H TYR 8 -9.359 -1.634 0.469
55 HA TYR 8 HA TYR 8 -6.772 -2.726 1.213
56 HB2 TYR 8 HB2 TYR 8 -8.692 -4.128 1.390
57 HB3 TYR 8 HB3 TYR 8 -9.251 -3.705 -0.226
58 HD1 TYR 8 HD1 TYR 8 -6.473 -5.423 1.593
59 HD2 TYR 8 HD2 TYR 8 -8.645 -5.014 -2.088
60 HE1 TYR 8 HE2 TYR 8 -5.251 -7.365 0.656
61 HE2 TYR 8 HE1 TYR 8 -7.422 -6.956 -3.027
62 HH TYR 8 HH TYR 8 -4.667 -8.094 -1.925
63 H LEU 9 H LEU 9 -8.340 -1.845 -1.866
64 HA LEU 9 HA LEU 9 -6.223 -2.811 -3.585
65 HB2 LEU 9 HB2 LEU 9 -8.769 -1.389 -3.726
66 HB3 LEU 9 HB3 LEU 9 -7.609 -0.755 -4.888
67 HG LEU 9 HG LEU 9 -8.900 -2.591 -5.889
68 HD11 LEU 9 HD11 LEU 9 -6.406 -2.248 -6.364
69 HD12 LEU 9 HD12 LEU 9 -7.066 -3.831 -6.771
70 HD13 LEU 9 HD13 LEU 9 -6.120 -3.623 -5.298
71 HD21 LEU 9 HD21 LEU 9 -9.086 -3.691 -3.483
72 HD22 LEU 9 HD22 LEU 9 -7.637 -4.552 -4.005
73 HD23 LEU 9 HD23 LEU 9 -9.130 -4.695 -4.933
74 H TRP 10 H TRP 10 -6.664 0.139 -1.740
75 HA TRP 10 HA TRP 10 -4.451 1.481 -3.228
76 HB2 TRP 10 HB2 TRP 10 -6.594 2.660 -2.939
77 HB3 TRP 10 HB3 TRP 10 -6.480 2.460 -1.192
78 HD1 TRP 10 HD1 TRP 10 -3.815 3.653 -3.743
79 HE1 TRP 10 HE1 TRP 10 -2.895 5.921 -2.929
80 HE3 TRP 10 HE3 TRP 10 -6.736 4.358 0.386
81 HZ2 TRP 10 HZ2 TRP 10 -3.342 7.786 -0.807
82 HZ3 TRP 10 HZ3 TRP 10 -6.469 6.386 1.784
83 HH2 TRP 10 HH2 TRP 10 -4.777 8.101 1.193
84 H GLN 11 H GLN 11 -5.472 0.954 0.195
85 HA GLN 11 HA GLN 11 -3.002 1.783 1.371
86 HB2 GLN 11 HB2 GLN 11 -5.393 1.295 2.344
87 HB3 GLN 11 HB3 GLN 11 -4.772 -0.341 2.558
88 HG2 GLN 11 HG2 GLN 11 -2.753 0.751 3.718
89 HG3 GLN 11 HG3 GLN 11 -3.728 2.220 3.774
90 HE21 GLN 11 HE21 GLN 11 -3.350 -1.006 5.135
91 HE22 GLN 11 HE22 GLN 11 -4.568 -0.856 6.308
92 H ARG 12 H ARG 12 -4.168 -1.544 0.620
93 HA ARG 12 HA ARG 12 -1.826 -2.924 1.507
94 HB2 ARG 12 HB2 ARG 12 -4.217 -3.717 0.765
95 HB3 ARG 12 HB3 ARG 12 -3.496 -3.802 -0.843
96 HG2 ARG 12 HG2 ARG 12 -2.792 -5.869 -0.247
97 HG3 ARG 12 HG3 ARG 12 -1.595 -5.041 0.746
98 HD2 ARG 12 HD2 ARG 12 -4.345 -5.452 1.885
99 HD3 ARG 12 HD3 ARG 12 -3.217 -6.823 1.853
100 HE ARG 12 HE ARG 12 -2.575 -4.187 3.130
101 HH11 ARG 12 HH11 ARG 12 -3.335 -6.269 5.033
102 HH12 ARG 12 HH12 ARG 12 -1.835 -7.046 5.417
103 HH21 ARG 12 HH21 ARG 12 -0.160 -5.761 2.654
104 HH22 ARG 12 HH22 ARG 12 -0.030 -6.752 4.068
105 H TRP 13 H TRP 13 -2.646 -1.484 -1.655
106 HA TRP 13 HA TRP 13 -0.377 -2.474 -3.103
107 HB2 TRP 13 HB2 TRP 13 -1.637 -1.491 -4.708
108 HB3 TRP 13 HB3 TRP 13 -2.646 -0.764 -3.469
109 HD1 TRP 13 HD1 TRP 13 -2.725 1.754 -3.529
110 HE1 TRP 13 HE1 TRP 13 -1.215 3.645 -4.413
111 HE3 TRP 13 HE3 TRP 13 1.236 -0.991 -5.199
112 HZ2 TRP 13 HZ2 TRP 13 1.336 3.952 -5.668
113 HZ3 TRP 13 HZ3 TRP 13 3.193 0.122 -6.236
114 HH2 TRP 13 HH2 TRP 13 3.248 2.589 -6.472
115 H GLU 14 H GLU 14 -0.880 0.552 -1.254
116 HA GLU 14 HA GLU 14 1.754 1.630 -1.777
117 HB2 GLU 14 HB2 GLU 14 -0.415 2.100 0.279
118 HB3 GLU 14 HB3 GLU 14 1.079 3.038 0.270
119 HG2 GLU 14 HG2 GLU 14 0.633 3.661 -2.105
120 HG3 GLU 14 HG3 GLU 14 -0.906 2.808 -2.009
121 H ASN 15 H ASN 15 0.366 -0.201 0.982
122 HA ASN 15 HA ASN 15 2.605 -0.230 2.700
123 HB2 ASN 15 HB2 ASN 15 0.115 -1.330 2.670
124 HB3 ASN 15 HB3 ASN 15 1.090 -2.768 2.367
125 HD21 ASN 15 HD21 ASN 15 3.412 -2.120 3.920
126 HD22 ASN 15 HD22 ASN 15 2.964 -2.054 5.554
127 H TRP 16 H TRP 16 1.866 -2.369 -0.071
128 HA TRP 16 HA TRP 16 4.285 -3.967 0.208
129 HB2 TRP 16 HB2 TRP 16 2.505 -5.000 -0.952
130 HB3 TRP 16 HB3 TRP 16 2.126 -3.536 -1.860
131 HD1 TRP 16 HD1 TRP 16 4.805 -6.294 -1.660
132 HE1 TRP 16 HE1 TRP 16 5.970 -6.466 -3.953
133 HE3 TRP 16 HE3 TRP 16 2.581 -2.380 -4.072
134 HZ2 TRP 16 HZ2 TRP 16 5.959 -5.120 -6.477
135 HZ3 TRP 16 HZ3 TRP 16 3.177 -1.848 -6.417
136 HH2 TRP 16 HH2 TRP 16 4.861 -3.211 -7.622
137 H PHE 17 H PHE 17 3.281 -1.216 -1.844
138 HA PHE 17 HA PHE 17 5.599 -0.935 -3.445
139 HB2 PHE 17 HB2 PHE 17 3.509 0.277 -3.805
140 HB3 PHE 17 HB3 PHE 17 3.678 1.099 -2.256
141 HD1 PHE 17 HD1 PHE 17 5.428 0.610 -5.531
142 HD2 PHE 17 HD2 PHE 17 4.798 3.158 -2.130
143 HE1 PHE 17 HE1 PHE 17 6.760 2.394 -6.619
144 HE2 PHE 17 HE2 PHE 17 6.130 4.943 -3.220
145 HZ PHE 17 HZ PHE 17 7.111 4.561 -5.466
146 H TRP 18 H TRP 18 4.834 0.731 -0.354
147 HA TRP 18 HA TRP 18 7.349 2.030 -0.006
148 HB2 TRP 18 HB2 TRP 18 5.275 0.982 1.950
149 HB3 TRP 18 HB3 TRP 18 6.598 2.048 2.416
150 HD1 TRP 18 HD1 TRP 18 3.170 2.394 1.868
151 HE1 TRP 18 HE1 TRP 18 2.501 4.657 0.830
152 HE3 TRP 18 HE3 TRP 18 7.713 3.937 0.111
153 HZ2 TRP 18 HZ2 TRP 18 3.730 6.833 -0.558
154 HZ3 TRP 18 HZ3 TRP 18 7.933 6.108 -1.062
155 HH2 TRP 18 HH2 TRP 18 5.950 7.556 -1.398
156 H ASN 19 H ASN 19 6.288 -1.262 0.753
157 HA ASN 19 HA ASN 19 8.442 -2.084 2.438
158 HB2 ASN 19 HB2 ASN 19 6.127 -3.142 1.458
159 HB3 ASN 19 HB3 ASN 19 7.311 -4.021 0.493
160 HD21 ASN 19 HD21 ASN 19 8.360 -5.762 1.507
161 HD22 ASN 19 HD22 ASN 19 8.283 -6.086 3.172
162 H VAL 20 H VAL 20 8.173 -1.938 -1.119
163 HA VAL 20 HA VAL 20 11.006 -2.908 -1.320
164 HB VAL 20 HB VAL 20 10.351 -3.438 -3.675
165 HG11 VAL 20 HG11 VAL 20 9.228 -5.416 -3.118
166 HG12 VAL 20 HG12 VAL 20 8.270 -4.633 -1.861
167 HG13 VAL 20 HG13 VAL 20 9.980 -4.968 -1.587
168 HG21 VAL 20 HG21 VAL 20 8.486 -1.605 -3.585
169 HG22 VAL 20 HG22 VAL 20 7.496 -2.885 -2.886
170 HG23 VAL 20 HG23 VAL 20 8.180 -3.082 -4.498
171 H THR 21 H THR 21 9.508 0.001 -1.129
172 HA THR 21 HA THR 21 11.232 1.246 -3.244
173 HB THR 21 HB THR 21 8.600 2.154 -2.037
174 HG1 THR 21 HG1 THR 21 7.997 0.716 -3.474
175 HG21 THR 21 HG21 THR 21 9.334 4.196 -2.698
176 HG22 THR 21 HG22 THR 21 9.009 3.611 -4.330
177 HG23 THR 21 HG23 THR 21 10.640 3.514 -3.667
178 H LEU 22 H LEU 22 10.172 1.424 0.131
179 HA LEU 22 HA LEU 22 11.357 3.915 0.850
180 HB2 LEU 22 HB2 LEU 22 10.612 1.370 2.265
181 HB3 LEU 22 HB3 LEU 22 11.464 2.632 3.151
182 HG LEU 22 HG LEU 22 8.877 3.042 1.617
183 HD11 LEU 22 HD11 LEU 22 8.355 1.719 3.534
184 HD12 LEU 22 HD12 LEU 22 7.992 3.382 3.998
185 HD13 LEU 22 HD13 LEU 22 9.482 2.616 4.552
186 HD21 LEU 22 HD21 LEU 22 10.628 4.828 3.321
187 HD22 LEU 22 HD22 LEU 22 8.926 5.192 3.041
188 HD23 LEU 22 HD23 LEU 22 10.046 5.116 1.681
189 H ARG 23 H ARG 23 12.742 0.648 0.722
190 HA ARG 23 HA ARG 23 15.279 1.353 1.920
191 HB2 ARG 23 HB2 ARG 23 13.973 -0.946 0.616
192 HB3 ARG 23 HB3 ARG 23 15.719 -0.894 0.381
193 HG2 ARG 23 HG2 ARG 23 15.584 -2.037 2.401
194 HG3 ARG 23 HG3 ARG 23 15.751 -0.376 2.968
195 HD2 ARG 23 HD2 ARG 23 13.562 -0.261 3.701
196 HD3 ARG 23 HD3 ARG 23 12.976 -1.364 2.440
197 HE ARG 23 HE ARG 23 13.754 -3.239 3.758
198 HH11 ARG 23 HH11 ARG 23 12.363 -1.805 5.942
199 HH12 ARG 23 HH12 ARG 23 13.578 -1.704 7.174
200 HH21 ARG 23 HH21 ARG 23 16.206 -2.392 5.002
201 HH22 ARG 23 HH22 ARG 23 15.762 -2.037 6.638
202 HA PRO 24 HA PRO 24 17.009 1.548 -2.519
203 HB2 PRO 24 HB2 PRO 24 15.308 1.311 -4.648
204 HB3 PRO 24 HB3 PRO 24 16.087 -0.083 -3.872
205 HG2 PRO 24 HG2 PRO 24 13.311 0.934 -3.586
206 HG3 PRO 24 HG3 PRO 24 13.909 -0.731 -3.606
207 HD2 PRO 24 HD2 PRO 24 13.206 0.625 -1.331
208 HD3 PRO 24 HD3 PRO 24 14.348 -0.734 -1.371
209 H GLU 25 H GLU 25 17.290 3.780 -2.112
210 HA GLU 25 HA GLU 25 15.313 5.609 -3.434
211 HB2 GLU 25 HB2 GLU 25 15.672 5.273 -0.698
212 HB3 GLU 25 HB3 GLU 25 16.679 6.676 -1.058
213 HG2 GLU 25 HG2 GLU 25 13.926 6.560 -2.234
214 HG3 GLU 25 HG3 GLU 25 14.094 6.967 -0.527
215 H ARG 26 H ARG 26 16.490 6.459 -5.134
216 HA ARG 26 HA ARG 26 19.147 7.671 -4.527
217 HB2 ARG 26 HB2 ARG 26 18.532 5.322 -6.215
218 HB3 ARG 26 HB3 ARG 26 19.579 6.518 -6.977
219 HG2 ARG 26 HG2 ARG 26 20.139 5.641 -4.156
220 HG3 ARG 26 HG3 ARG 26 20.643 4.621 -5.502
221 HD2 ARG 26 HD2 ARG 26 22.532 5.963 -5.329
222 HD3 ARG 26 HD3 ARG 26 21.571 6.984 -6.417
223 HE ARG 26 HE ARG 26 21.110 7.390 -3.524
224 HH11 ARG 26 HH11 ARG 26 20.354 9.480 -5.459
225 HH12 ARG 26 HH12 ARG 26 21.672 10.601 -5.360
226 HH21 ARG 26 HH21 ARG 26 23.820 8.346 -3.816
227 HH22 ARG 26 HH22 ARG 26 23.642 9.956 -4.428
Start of MODEL 28
1 HA ARG 1 HA ARG 1 -16.569 1.508 -6.941
2 HB2 ARG 1 HB2 ARG 1 -17.700 3.778 -7.366
3 HB3 ARG 1 HB3 ARG 1 -18.573 3.506 -5.858
4 HG2 ARG 1 HG2 ARG 1 -16.536 3.439 -4.589
5 HG3 ARG 1 HG3 ARG 1 -15.554 3.386 -6.053
6 HD2 ARG 1 HD2 ARG 1 -15.748 5.648 -6.425
7 HD3 ARG 1 HD3 ARG 1 -17.407 5.709 -5.800
8 HE ARG 1 HE ARG 1 -15.957 5.102 -3.546
9 HH11 ARG 1 HH11 ARG 1 -17.153 7.784 -3.758
10 HH12 ARG 1 HH12 ARG 1 -15.777 8.835 -3.724
11 HH21 ARG 1 HH21 ARG 1 -13.506 6.315 -4.484
12 HH22 ARG 1 HH22 ARG 1 -13.704 7.999 -4.136
13 H SER 2 H SER 2 -16.020 0.543 -4.990
14 HA SER 2 HA SER 2 -18.267 -0.288 -3.175
15 HB2 SER 2 HB2 SER 2 -15.868 -1.684 -4.311
16 HB3 SER 2 HB3 SER 2 -16.455 -2.179 -2.726
17 HG SER 2 HG SER 2 -18.175 -3.009 -3.632
18 H ALA 3 H ALA 3 -17.533 -0.624 -0.886
19 HA ALA 3 HA ALA 3 -15.631 1.514 -0.073
20 HB1 ALA 3 HB1 ALA 3 -17.807 1.532 0.961
21 HB2 ALA 3 HB2 ALA 3 -16.673 0.965 2.187
22 HB3 ALA 3 HB3 ALA 3 -17.705 -0.187 1.341
23 H LEU 4 H LEU 4 -16.165 -1.999 0.359
24 HA LEU 4 HA LEU 4 -13.668 -2.302 1.900
25 HB2 LEU 4 HB2 LEU 4 -15.971 -3.526 2.118
26 HB3 LEU 4 HB3 LEU 4 -15.378 -4.518 0.785
27 HG LEU 4 HG LEU 4 -13.200 -4.475 2.465
28 HD11 LEU 4 HD11 LEU 4 -15.716 -4.588 4.158
29 HD12 LEU 4 HD12 LEU 4 -14.472 -3.340 4.233
30 HD13 LEU 4 HD13 LEU 4 -14.095 -4.992 4.722
31 HD21 LEU 4 HD21 LEU 4 -15.492 -6.464 2.549
32 HD22 LEU 4 HD22 LEU 4 -13.811 -6.784 2.974
33 HD23 LEU 4 HD23 LEU 4 -14.245 -6.427 1.302
34 H VAL 5 H VAL 5 -13.934 -1.628 -1.218
35 HA VAL 5 HA VAL 5 -12.167 -3.821 -2.222
36 HB VAL 5 HB VAL 5 -13.923 -1.707 -3.502
37 HG11 VAL 5 HG11 VAL 5 -13.148 -2.948 -5.670
38 HG12 VAL 5 HG12 VAL 5 -11.741 -3.398 -4.708
39 HG13 VAL 5 HG13 VAL 5 -12.106 -1.697 -4.993
40 HG21 VAL 5 HG21 VAL 5 -14.954 -3.830 -2.679
41 HG22 VAL 5 HG22 VAL 5 -13.865 -4.735 -3.728
42 HG23 VAL 5 HG23 VAL 5 -15.072 -3.658 -4.431
43 H ASN 6 H ASN 6 -12.455 -0.240 -2.399
44 HA ASN 6 HA ASN 6 -9.709 0.132 -3.269
45 HB2 ASN 6 HB2 ASN 6 -11.651 1.656 -3.714
46 HB3 ASN 6 HB3 ASN 6 -11.663 2.081 -2.001
47 HD21 ASN 6 HD21 ASN 6 -10.205 2.815 -5.044
48 HD22 ASN 6 HD22 ASN 6 -9.001 3.861 -4.461
49 H SER 7 H SER 7 -11.360 0.327 -0.094
50 HA SER 7 HA SER 7 -9.320 1.492 1.464
51 HB2 SER 7 HB2 SER 7 -11.660 0.815 2.141
52 HB3 SER 7 HB3 SER 7 -11.093 -0.850 2.234
53 HG SER 7 HG SER 7 -10.760 -0.138 4.242
54 H TYR 8 H TYR 8 -9.715 -1.940 0.538
55 HA TYR 8 HA TYR 8 -7.250 -2.772 1.892
56 HB2 TYR 8 HB2 TYR 8 -9.013 -4.362 1.758
57 HB3 TYR 8 HB3 TYR 8 -9.306 -4.018 0.055
58 HD1 TYR 8 HD1 TYR 8 -6.726 -5.396 2.391
59 HD2 TYR 8 HD2 TYR 8 -8.262 -5.302 -1.620
60 HE1 TYR 8 HE2 TYR 8 -5.166 -7.213 1.749
61 HE2 TYR 8 HE1 TYR 8 -6.702 -7.119 -2.260
62 HH TYR 8 HH TYR 8 -5.349 -9.127 -0.375
63 H LEU 9 H LEU 9 -8.266 -2.094 -1.461
64 HA LEU 9 HA LEU 9 -5.814 -2.921 -2.730
65 HB2 LEU 9 HB2 LEU 9 -8.303 -1.439 -3.382
66 HB3 LEU 9 HB3 LEU 9 -6.926 -1.111 -4.431
67 HG LEU 9 HG LEU 9 -7.863 -3.910 -3.747
68 HD11 LEU 9 HD11 LEU 9 -9.592 -2.575 -4.994
69 HD12 LEU 9 HD12 LEU 9 -8.974 -3.955 -5.902
70 HD13 LEU 9 HD13 LEU 9 -8.407 -2.328 -6.277
71 HD21 LEU 9 HD21 LEU 9 -6.271 -4.649 -5.264
72 HD22 LEU 9 HD22 LEU 9 -5.451 -3.212 -4.652
73 HD23 LEU 9 HD23 LEU 9 -6.308 -3.150 -6.192
74 H TRP 10 H TRP 10 -6.907 0.211 -1.407
75 HA TRP 10 HA TRP 10 -4.883 1.888 -2.490
76 HB2 TRP 10 HB2 TRP 10 -7.010 2.447 -1.173
77 HB3 TRP 10 HB3 TRP 10 -6.088 2.085 0.284
78 HD1 TRP 10 HD1 TRP 10 -4.593 3.852 -2.775
79 HE1 TRP 10 HE1 TRP 10 -3.877 6.228 -2.084
80 HE3 TRP 10 HE3 TRP 10 -6.467 3.993 1.974
81 HZ2 TRP 10 HZ2 TRP 10 -4.073 7.961 0.182
82 HZ3 TRP 10 HZ3 TRP 10 -6.187 6.017 3.375
83 HH2 TRP 10 HH2 TRP 10 -4.994 7.999 2.486
84 H GLN 11 H GLN 11 -4.908 0.282 0.732
85 HA GLN 11 HA GLN 11 -2.194 0.991 1.391
86 HB2 GLN 11 HB2 GLN 11 -4.280 -0.952 2.349
87 HB3 GLN 11 HB3 GLN 11 -2.638 -1.088 2.978
88 HG2 GLN 11 HG2 GLN 11 -3.069 0.592 4.407
89 HG3 GLN 11 HG3 GLN 11 -3.317 1.672 3.035
90 HE21 GLN 11 HE21 GLN 11 -5.491 2.239 2.483
91 HE22 GLN 11 HE22 GLN 11 -6.839 1.705 3.366
92 H ARG 12 H ARG 12 -3.635 -1.893 -0.150
93 HA ARG 12 HA ARG 12 -1.249 -3.494 -0.202
94 HB2 ARG 12 HB2 ARG 12 -3.885 -3.385 -1.627
95 HB3 ARG 12 HB3 ARG 12 -2.638 -4.464 -2.250
96 HG2 ARG 12 HG2 ARG 12 -3.381 -4.453 0.675
97 HG3 ARG 12 HG3 ARG 12 -4.265 -5.432 -0.494
98 HD2 ARG 12 HD2 ARG 12 -1.248 -5.560 -0.153
99 HD3 ARG 12 HD3 ARG 12 -2.379 -6.683 0.625
100 HE ARG 12 HE ARG 12 -3.239 -7.023 -1.835
101 HH11 ARG 12 HH11 ARG 12 -1.168 -5.450 -3.204
102 HH12 ARG 12 HH12 ARG 12 0.063 -6.620 -3.540
103 HH21 ARG 12 HH21 ARG 12 -1.136 -8.933 -1.241
104 HH22 ARG 12 HH22 ARG 12 0.083 -8.599 -2.424
105 H TRP 13 H TRP 13 -1.957 -0.612 -1.886
106 HA TRP 13 HA TRP 13 -0.202 -1.296 -4.198
107 HB2 TRP 13 HB2 TRP 13 -2.521 0.348 -3.681
108 HB3 TRP 13 HB3 TRP 13 -1.214 1.364 -4.286
109 HD1 TRP 13 HD1 TRP 13 -3.999 -0.089 -5.678
110 HE1 TRP 13 HE1 TRP 13 -3.648 -0.994 -8.071
111 HE3 TRP 13 HE3 TRP 13 1.092 -0.309 -5.781
112 HZ2 TRP 13 HZ2 TRP 13 -1.479 -1.712 -9.799
113 HZ3 TRP 13 HZ3 TRP 13 2.279 -1.102 -7.809
114 HH2 TRP 13 HH2 TRP 13 1.001 -1.803 -9.816
115 H GLU 14 H GLU 14 -0.627 1.187 -1.675
116 HA GLU 14 HA GLU 14 2.023 2.359 -2.224
117 HB2 GLU 14 HB2 GLU 14 0.084 3.016 0.004
118 HB3 GLU 14 HB3 GLU 14 1.249 4.087 -0.772
119 HG2 GLU 14 HG2 GLU 14 -0.056 3.801 -2.926
120 HG3 GLU 14 HG3 GLU 14 -1.284 2.943 -1.995
121 H ASN 15 H ASN 15 0.408 0.688 0.523
122 HA ASN 15 HA ASN 15 2.667 0.733 2.287
123 HB2 ASN 15 HB2 ASN 15 0.073 0.048 2.498
124 HB3 ASN 15 HB3 ASN 15 0.760 -1.566 2.312
125 HD21 ASN 15 HD21 ASN 15 2.949 -1.761 3.774
126 HD22 ASN 15 HD22 ASN 15 2.753 -1.220 5.370
127 H TRP 16 H TRP 16 1.630 -1.628 -0.190
128 HA TRP 16 HA TRP 16 3.742 -3.540 0.388
129 HB2 TRP 16 HB2 TRP 16 1.872 -4.433 -0.715
130 HB3 TRP 16 HB3 TRP 16 1.717 -3.039 -1.782
131 HD1 TRP 16 HD1 TRP 16 3.876 -6.175 -1.264
132 HE1 TRP 16 HE1 TRP 16 5.029 -6.755 -3.494
133 HE3 TRP 16 HE3 TRP 16 2.457 -2.146 -4.063
134 HZ2 TRP 16 HZ2 TRP 16 5.314 -5.654 -6.119
135 HZ3 TRP 16 HZ3 TRP 16 3.186 -1.936 -6.421
136 HH2 TRP 16 HH2 TRP 16 4.611 -3.683 -7.453
137 H PHE 17 H PHE 17 3.289 -1.042 -2.151
138 HA PHE 17 HA PHE 17 5.724 -1.429 -3.551
139 HB2 PHE 17 HB2 PHE 17 3.809 -0.026 -4.272
140 HB3 PHE 17 HB3 PHE 17 4.180 1.129 -2.992
141 HD1 PHE 17 HD1 PHE 17 5.462 -0.411 -6.124
142 HD2 PHE 17 HD2 PHE 17 5.956 2.721 -3.224
143 HE1 PHE 17 HE2 PHE 17 7.108 0.703 -7.606
144 HE2 PHE 17 HE1 PHE 17 7.604 3.834 -4.706
145 HZ PHE 17 HZ PHE 17 8.180 2.824 -6.897
146 H TRP 18 H TRP 18 5.041 0.888 -0.885
147 HA TRP 18 HA TRP 18 7.750 1.820 -0.655
148 HB2 TRP 18 HB2 TRP 18 5.296 1.809 1.101
149 HB3 TRP 18 HB3 TRP 18 6.814 2.486 1.683
150 HD1 TRP 18 HD1 TRP 18 3.842 3.775 0.412
151 HE1 TRP 18 HE1 TRP 18 4.148 5.877 -1.047
152 HE3 TRP 18 HE3 TRP 18 8.835 3.423 -0.603
153 HZ2 TRP 18 HZ2 TRP 18 6.237 7.231 -2.456
154 HZ3 TRP 18 HZ3 TRP 18 9.956 5.132 -2.003
155 HH2 TRP 18 HH2 TRP 18 8.665 7.034 -2.930
156 H ASN 19 H ASN 19 6.023 -0.910 0.839
157 HA ASN 19 HA ASN 19 7.901 -1.547 2.889
158 HB2 ASN 19 HB2 ASN 19 5.627 -2.486 2.650
159 HB3 ASN 19 HB3 ASN 19 6.134 -3.347 1.196
160 HD21 ASN 19 HD21 ASN 19 7.137 -5.378 1.489
161 HD22 ASN 19 HD22 ASN 19 7.585 -6.004 3.002
162 H VAL 20 H VAL 20 7.635 -3.050 -0.377
163 HA VAL 20 HA VAL 20 10.121 -4.490 -0.150
164 HB VAL 20 HB VAL 20 9.783 -4.824 -2.608
165 HG11 VAL 20 HG11 VAL 20 7.854 -6.166 -2.364
166 HG12 VAL 20 HG12 VAL 20 7.130 -5.068 -1.190
167 HG13 VAL 20 HG13 VAL 20 8.511 -6.064 -0.730
168 HG21 VAL 20 HG21 VAL 20 7.231 -3.735 -3.009
169 HG22 VAL 20 HG22 VAL 20 8.736 -3.170 -3.735
170 HG23 VAL 20 HG23 VAL 20 8.149 -2.440 -2.243
171 H THR 21 H THR 21 9.421 -1.176 -1.073
172 HA THR 21 HA THR 21 12.034 -0.804 -2.395
173 HB THR 21 HB THR 21 9.822 1.130 -1.633
174 HG1 THR 21 HG1 THR 21 10.375 -0.394 -3.948
175 HG21 THR 21 HG21 THR 21 11.612 2.540 -2.057
176 HG22 THR 21 HG22 THR 21 10.986 2.328 -3.692
177 HG23 THR 21 HG23 THR 21 12.385 1.399 -3.157
178 H LEU 22 H LEU 22 10.537 -0.132 0.735
179 HA LEU 22 HA LEU 22 12.743 1.567 1.661
180 HB2 LEU 22 HB2 LEU 22 10.249 0.354 2.846
181 HB3 LEU 22 HB3 LEU 22 11.426 1.167 3.876
182 HG LEU 22 HG LEU 22 10.403 2.527 1.393
183 HD11 LEU 22 HD11 LEU 22 8.452 3.250 2.405
184 HD12 LEU 22 HD12 LEU 22 9.094 3.040 4.035
185 HD13 LEU 22 HD13 LEU 22 8.569 1.636 3.106
186 HD21 LEU 22 HD21 LEU 22 10.950 4.536 2.695
187 HD22 LEU 22 HD22 LEU 22 12.343 3.455 2.646
188 HD23 LEU 22 HD23 LEU 22 11.343 3.540 4.097
189 H ARG 23 H ARG 23 11.449 -1.441 3.079
190 HA ARG 23 HA ARG 23 14.021 -2.809 3.046
191 HB2 ARG 23 HB2 ARG 23 14.074 -2.717 5.669
192 HB3 ARG 23 HB3 ARG 23 14.692 -1.341 4.760
193 HG2 ARG 23 HG2 ARG 23 12.953 0.024 5.376
194 HG3 ARG 23 HG3 ARG 23 11.784 -1.297 5.389
195 HD2 ARG 23 HD2 ARG 23 13.530 -1.961 7.464
196 HD3 ARG 23 HD3 ARG 23 13.341 -0.202 7.607
197 HE ARG 23 HE ARG 23 10.847 -0.603 7.513
198 HH11 ARG 23 HH11 ARG 23 11.111 -3.537 6.745
199 HH12 ARG 23 HH12 ARG 23 10.765 -4.314 8.256
200 HH21 ARG 23 HH21 ARG 23 11.225 -1.433 10.147
201 HH22 ARG 23 HH22 ARG 23 10.829 -3.120 10.189
202 HA PRO 24 HA PRO 24 10.298 -5.461 3.660
203 HB2 PRO 24 HB2 PRO 24 10.930 -7.256 1.694
204 HB3 PRO 24 HB3 PRO 24 10.047 -5.748 1.378
205 HG2 PRO 24 HG2 PRO 24 12.910 -6.397 0.919
206 HG3 PRO 24 HG3 PRO 24 11.806 -5.407 -0.047
207 HD2 PRO 24 HD2 PRO 24 13.703 -4.392 1.658
208 HD3 PRO 24 HD3 PRO 24 12.229 -3.529 1.169
209 H GLU 25 H GLU 25 10.388 -8.037 3.872
210 HA GLU 25 HA GLU 25 12.302 -8.703 5.920
211 HB2 GLU 25 HB2 GLU 25 10.299 -10.209 4.229
212 HB3 GLU 25 HB3 GLU 25 11.309 -11.051 5.404
213 HG2 GLU 25 HG2 GLU 25 10.040 -10.332 7.122
214 HG3 GLU 25 HG3 GLU 25 10.141 -8.660 6.570
215 H ARG 26 H ARG 26 12.115 -9.424 2.443
216 HA ARG 26 HA ARG 26 13.740 -10.151 0.913
217 HB2 ARG 26 HB2 ARG 26 15.551 -9.508 3.267
218 HB3 ARG 26 HB3 ARG 26 16.114 -9.833 1.631
219 HG2 ARG 26 HG2 ARG 26 15.184 -7.861 0.774
220 HG3 ARG 26 HG3 ARG 26 14.040 -7.706 2.107
221 HD2 ARG 26 HD2 ARG 26 15.512 -6.477 3.316
222 HD3 ARG 26 HD3 ARG 26 16.796 -7.677 3.073
223 HE ARG 26 HE ARG 26 16.097 -5.586 1.042
224 HH11 ARG 26 HH11 ARG 26 17.740 -8.013 0.222
225 HH12 ARG 26 HH12 ARG 26 19.352 -7.397 0.366
226 HH21 ARG 26 HH21 ARG 26 18.410 -4.647 2.275
227 HH22 ARG 26 HH22 ARG 26 19.733 -5.483 1.534
Start of MODEL 29
1 HA ARG 1 HA ARG 1 -18.781 -0.484 -7.961
2 HB2 ARG 1 HB2 ARG 1 -21.245 -0.894 -7.735
3 HB3 ARG 1 HB3 ARG 1 -20.488 -1.944 -8.931
4 HG2 ARG 1 HG2 ARG 1 -20.667 -3.838 -7.583
5 HG3 ARG 1 HG3 ARG 1 -20.713 -2.896 -6.091
6 HD2 ARG 1 HD2 ARG 1 -22.982 -1.971 -7.087
7 HD3 ARG 1 HD3 ARG 1 -22.936 -3.475 -8.029
8 HE ARG 1 HE ARG 1 -22.342 -4.390 -5.527
9 HH11 ARG 1 HH11 ARG 1 -23.655 -1.943 -4.393
10 HH12 ARG 1 HH12 ARG 1 -25.295 -2.467 -4.199
11 HH21 ARG 1 HH21 ARG 1 -24.939 -5.218 -6.297
12 HH22 ARG 1 HH22 ARG 1 -26.025 -4.330 -5.282
13 H SER 2 H SER 2 -17.320 -1.318 -5.569
14 HA SER 2 HA SER 2 -19.092 -0.118 -3.464
15 HB2 SER 2 HB2 SER 2 -18.562 -2.670 -3.427
16 HB3 SER 2 HB3 SER 2 -16.947 -2.173 -2.931
17 HG SER 2 HG SER 2 -18.130 -2.434 -1.082
18 H ALA 3 H ALA 3 -17.780 0.903 -1.683
19 HA ALA 3 HA ALA 3 -15.426 2.330 -2.824
20 HB1 ALA 3 HB1 ALA 3 -15.888 3.707 -0.664
21 HB2 ALA 3 HB2 ALA 3 -17.372 2.762 -0.556
22 HB3 ALA 3 HB3 ALA 3 -17.080 3.787 -1.961
23 H LEU 4 H LEU 4 -16.373 0.529 0.127
24 HA LEU 4 HA LEU 4 -13.898 0.634 1.502
25 HB2 LEU 4 HB2 LEU 4 -14.784 -1.370 2.672
26 HB3 LEU 4 HB3 LEU 4 -16.025 -0.137 2.463
27 HG LEU 4 HG LEU 4 -16.172 -1.699 0.134
28 HD11 LEU 4 HD11 LEU 4 -15.943 -3.445 2.604
29 HD12 LEU 4 HD12 LEU 4 -14.791 -3.411 1.268
30 HD13 LEU 4 HD13 LEU 4 -16.437 -3.988 1.001
31 HD21 LEU 4 HD21 LEU 4 -18.170 -0.866 1.029
32 HD22 LEU 4 HD22 LEU 4 -17.783 -1.419 2.658
33 HD23 LEU 4 HD23 LEU 4 -18.280 -2.580 1.428
34 H VAL 5 H VAL 5 -14.815 -1.301 -1.271
35 HA VAL 5 HA VAL 5 -12.805 -3.354 -1.063
36 HB VAL 5 HB VAL 5 -14.308 -2.101 -3.388
37 HG11 VAL 5 HG11 VAL 5 -13.681 -4.513 -4.344
38 HG12 VAL 5 HG12 VAL 5 -12.288 -4.304 -3.282
39 HG13 VAL 5 HG13 VAL 5 -12.604 -3.134 -4.563
40 HG21 VAL 5 HG21 VAL 5 -15.820 -3.926 -3.151
41 HG22 VAL 5 HG22 VAL 5 -15.531 -3.361 -1.505
42 HG23 VAL 5 HG23 VAL 5 -14.713 -4.806 -2.097
43 H ASN 6 H ASN 6 -12.880 -0.278 -2.909
44 HA ASN 6 HA ASN 6 -10.180 -0.449 -3.899
45 HB2 ASN 6 HB2 ASN 6 -11.959 0.970 -4.854
46 HB3 ASN 6 HB3 ASN 6 -12.014 1.917 -3.366
47 HD21 ASN 6 HD21 ASN 6 -10.247 3.412 -2.943
48 HD22 ASN 6 HD22 ASN 6 -9.105 3.803 -4.137
49 H SER 7 H SER 7 -11.600 0.974 -0.946
50 HA SER 7 HA SER 7 -9.388 2.440 0.029
51 HB2 SER 7 HB2 SER 7 -11.464 0.753 1.466
52 HB3 SER 7 HB3 SER 7 -10.434 1.942 2.258
53 HG SER 7 HG SER 7 -12.650 2.567 1.431
54 H TYR 8 H TYR 8 -10.221 -0.976 0.775
55 HA TYR 8 HA TYR 8 -7.803 -1.601 2.178
56 HB2 TYR 8 HB2 TYR 8 -9.642 -3.069 2.429
57 HB3 TYR 8 HB3 TYR 8 -9.941 -3.135 0.693
58 HD1 TYR 8 HD1 TYR 8 -7.307 -3.997 3.224
59 HD2 TYR 8 HD2 TYR 8 -9.147 -4.960 -0.538
60 HE1 TYR 8 HE2 TYR 8 -5.889 -6.023 3.048
61 HE2 TYR 8 HE1 TYR 8 -7.727 -6.985 -0.713
62 HH TYR 8 HH TYR 8 -5.177 -7.542 0.488
63 H LEU 9 H LEU 9 -8.717 -1.989 -1.259
64 HA LEU 9 HA LEU 9 -6.373 -3.261 -2.226
65 HB2 LEU 9 HB2 LEU 9 -8.584 -1.566 -3.275
66 HB3 LEU 9 HB3 LEU 9 -7.166 -1.709 -4.309
67 HG LEU 9 HG LEU 9 -8.620 -4.079 -3.102
68 HD11 LEU 9 HD11 LEU 9 -8.730 -3.103 -5.968
69 HD12 LEU 9 HD12 LEU 9 -9.969 -2.720 -4.773
70 HD13 LEU 9 HD13 LEU 9 -9.679 -4.396 -5.236
71 HD21 LEU 9 HD21 LEU 9 -7.319 -5.170 -5.088
72 HD22 LEU 9 HD22 LEU 9 -6.429 -4.772 -3.618
73 HD23 LEU 9 HD23 LEU 9 -6.326 -3.714 -5.025
74 H TRP 10 H TRP 10 -7.072 0.210 -1.775
75 HA TRP 10 HA TRP 10 -4.590 1.177 -2.889
76 HB2 TRP 10 HB2 TRP 10 -6.448 2.657 -2.735
77 HB3 TRP 10 HB3 TRP 10 -6.737 2.248 -1.046
78 HD1 TRP 10 HD1 TRP 10 -3.934 3.885 -3.160
79 HE1 TRP 10 HE1 TRP 10 -2.858 5.753 -1.747
80 HE3 TRP 10 HE3 TRP 10 -6.552 3.317 1.180
81 HZ2 TRP 10 HZ2 TRP 10 -3.083 6.862 0.881
82 HZ3 TRP 10 HZ3 TRP 10 -6.104 4.789 3.123
83 HH2 TRP 10 HH2 TRP 10 -4.373 6.560 2.980
84 H GLN 11 H GLN 11 -5.629 0.332 0.423
85 HA GLN 11 HA GLN 11 -3.287 1.249 1.800
86 HB2 GLN 11 HB2 GLN 11 -5.520 -0.702 2.284
87 HB3 GLN 11 HB3 GLN 11 -4.173 -0.650 3.420
88 HG2 GLN 11 HG2 GLN 11 -4.758 1.403 4.228
89 HG3 GLN 11 HG3 GLN 11 -5.275 1.989 2.647
90 HE21 GLN 11 HE21 GLN 11 -7.440 2.614 2.958
91 HE22 GLN 11 HE22 GLN 11 -8.629 1.626 3.658
92 H ARG 12 H ARG 12 -4.045 -1.864 0.227
93 HA ARG 12 HA ARG 12 -1.648 -3.210 1.184
94 HB2 ARG 12 HB2 ARG 12 -4.009 -4.020 0.218
95 HB3 ARG 12 HB3 ARG 12 -3.102 -4.038 -1.296
96 HG2 ARG 12 HG2 ARG 12 -2.806 -6.215 -0.402
97 HG3 ARG 12 HG3 ARG 12 -1.310 -5.367 -0.011
98 HD2 ARG 12 HD2 ARG 12 -3.259 -4.922 2.089
99 HD3 ARG 12 HD3 ARG 12 -3.039 -6.662 1.814
100 HE ARG 12 HE ARG 12 -0.767 -4.771 2.317
101 HH11 ARG 12 HH11 ARG 12 -0.783 -7.744 1.126
102 HH12 ARG 12 HH12 ARG 12 -0.124 -8.573 2.498
103 HH21 ARG 12 HH21 ARG 12 -0.544 -5.875 4.653
104 HH22 ARG 12 HH22 ARG 12 0.012 -7.510 4.504
105 H TRP 13 H TRP 13 -2.535 -1.534 -1.854
106 HA TRP 13 HA TRP 13 -0.199 -2.194 -3.352
107 HB2 TRP 13 HB2 TRP 13 -1.369 -0.995 -4.878
108 HB3 TRP 13 HB3 TRP 13 -2.553 -0.671 -3.621
109 HD1 TRP 13 HD1 TRP 13 -2.973 1.775 -3.149
110 HE1 TRP 13 HE1 TRP 13 -1.709 3.983 -3.528
111 HE3 TRP 13 HE3 TRP 13 1.397 -0.031 -5.077
112 HZ2 TRP 13 HZ2 TRP 13 0.823 4.872 -4.520
113 HZ3 TRP 13 HZ3 TRP 13 3.217 1.519 -5.730
114 HH2 TRP 13 HH2 TRP 13 2.935 3.965 -5.455
115 H GLU 14 H GLU 14 -0.835 0.598 -1.193
116 HA GLU 14 HA GLU 14 1.722 1.861 -1.561
117 HB2 GLU 14 HB2 GLU 14 -0.618 2.002 0.247
118 HB3 GLU 14 HB3 GLU 14 0.891 2.593 0.943
119 HG2 GLU 14 HG2 GLU 14 1.100 3.795 -1.424
120 HG3 GLU 14 HG3 GLU 14 -0.657 3.638 -1.393
121 H ASN 15 H ASN 15 0.548 -0.488 0.873
122 HA ASN 15 HA ASN 15 2.858 -0.598 2.520
123 HB2 ASN 15 HB2 ASN 15 0.420 -1.762 2.488
124 HB3 ASN 15 HB3 ASN 15 1.386 -3.117 1.901
125 HD21 ASN 15 HD21 ASN 15 3.689 -3.107 3.314
126 HD22 ASN 15 HD22 ASN 15 3.413 -3.113 4.989
127 H TRP 16 H TRP 16 2.152 -2.230 -0.568
128 HA TRP 16 HA TRP 16 4.508 -3.929 -0.542
129 HB2 TRP 16 HB2 TRP 16 2.764 -4.638 -1.954
130 HB3 TRP 16 HB3 TRP 16 2.447 -3.005 -2.539
131 HD1 TRP 16 HD1 TRP 16 5.036 -5.834 -2.873
132 HE1 TRP 16 HE1 TRP 16 6.266 -5.554 -5.121
133 HE3 TRP 16 HE3 TRP 16 3.022 -1.407 -4.433
134 HZ2 TRP 16 HZ2 TRP 16 6.383 -3.696 -7.292
135 HZ3 TRP 16 HZ3 TRP 16 3.712 -0.405 -6.592
136 HH2 TRP 16 HH2 TRP 16 5.387 -1.543 -8.023
137 H PHE 17 H PHE 17 3.711 -0.820 -2.135
138 HA PHE 17 HA PHE 17 6.147 -0.366 -3.498
139 HB2 PHE 17 HB2 PHE 17 3.947 0.902 -3.593
140 HB3 PHE 17 HB3 PHE 17 4.417 1.690 -2.088
141 HD1 PHE 17 HD1 PHE 17 5.607 1.050 -5.578
142 HD2 PHE 17 HD2 PHE 17 5.797 3.595 -2.121
143 HE1 PHE 17 HE2 PHE 17 6.965 2.685 -6.856
144 HE2 PHE 17 HE1 PHE 17 7.155 5.229 -3.399
145 HZ PHE 17 HZ PHE 17 7.739 4.775 -5.767
146 H TRP 18 H TRP 18 5.217 0.798 -0.226
147 HA TRP 18 HA TRP 18 7.732 1.955 0.458
148 HB2 TRP 18 HB2 TRP 18 5.575 0.662 2.159
149 HB3 TRP 18 HB3 TRP 18 6.846 1.706 2.788
150 HD1 TRP 18 HD1 TRP 18 3.500 2.151 2.460
151 HE1 TRP 18 HE1 TRP 18 2.764 4.444 1.536
152 HE3 TRP 18 HE3 TRP 18 7.877 3.689 0.316
153 HZ2 TRP 18 HZ2 TRP 18 3.884 6.635 0.084
154 HZ3 TRP 18 HZ3 TRP 18 8.012 5.881 -0.828
155 HH2 TRP 18 HH2 TRP 18 6.023 7.356 -0.947
156 H ASN 19 H ASN 19 6.615 -1.405 0.613
157 HA ASN 19 HA ASN 19 8.713 -2.433 2.296
158 HB2 ASN 19 HB2 ASN 19 6.460 -3.357 0.751
159 HB3 ASN 19 HB3 ASN 19 7.840 -4.414 0.460
160 HD21 ASN 19 HD21 ASN 19 6.116 -2.843 3.219
161 HD22 ASN 19 HD22 ASN 19 6.364 -4.135 4.293
162 H VAL 20 H VAL 20 8.546 -1.833 -1.208
163 HA VAL 20 HA VAL 20 11.271 -3.038 -1.511
164 HB VAL 20 HB VAL 20 10.690 -3.023 -3.937
165 HG11 VAL 20 HG11 VAL 20 10.120 -4.959 -2.468
166 HG12 VAL 20 HG12 VAL 20 9.002 -4.778 -3.821
167 HG13 VAL 20 HG13 VAL 20 8.524 -4.253 -2.208
168 HG21 VAL 20 HG21 VAL 20 9.135 -1.013 -3.728
169 HG22 VAL 20 HG22 VAL 20 7.936 -2.116 -3.054
170 HG23 VAL 20 HG23 VAL 20 8.516 -2.346 -4.702
171 H THR 21 H THR 21 9.529 0.019 -1.723
172 HA THR 21 HA THR 21 11.663 1.394 -3.185
173 HB THR 21 HB THR 21 9.240 2.412 -1.669
174 HG1 THR 21 HG1 THR 21 9.648 1.689 -4.381
175 HG21 THR 21 HG21 THR 21 9.511 4.345 -3.305
176 HG22 THR 21 HG22 THR 21 11.110 3.698 -3.667
177 HG23 THR 21 HG23 THR 21 10.729 4.246 -2.034
178 H LEU 22 H LEU 22 10.648 1.128 0.210
179 HA LEU 22 HA LEU 22 12.512 3.166 1.156
180 HB2 LEU 22 HB2 LEU 22 10.900 0.999 2.530
181 HB3 LEU 22 HB3 LEU 22 11.792 2.253 3.387
182 HG LEU 22 HG LEU 22 9.626 2.805 1.338
183 HD11 LEU 22 HD11 LEU 22 8.164 3.287 3.195
184 HD12 LEU 22 HD12 LEU 22 9.473 3.055 4.353
185 HD13 LEU 22 HD13 LEU 22 8.833 1.677 3.459
186 HD21 LEU 22 HD21 LEU 22 11.101 4.678 1.464
187 HD22 LEU 22 HD22 LEU 22 11.264 4.524 3.214
188 HD23 LEU 22 HD23 LEU 22 9.744 5.085 2.516
189 H ARG 23 H ARG 23 12.820 -0.196 0.385
190 HA ARG 23 HA ARG 23 14.614 -1.708 0.610
191 HB2 ARG 23 HB2 ARG 23 15.602 0.582 -0.270
192 HB3 ARG 23 HB3 ARG 23 16.348 0.640 1.327
193 HG2 ARG 23 HG2 ARG 23 17.370 -1.561 0.952
194 HG3 ARG 23 HG3 ARG 23 16.592 -1.667 -0.627
195 HD2 ARG 23 HD2 ARG 23 18.498 0.572 0.137
196 HD3 ARG 23 HD3 ARG 23 18.999 -0.891 -0.736
197 HE ARG 23 HE ARG 23 17.287 1.257 -1.815
198 HH11 ARG 23 HH11 ARG 23 19.503 0.063 -3.393
199 HH12 ARG 23 HH12 ARG 23 18.669 -1.004 -4.473
200 HH21 ARG 23 HH21 ARG 23 15.730 -1.006 -2.613
201 HH22 ARG 23 HH22 ARG 23 16.521 -1.610 -4.029
202 HA PRO 24 HA PRO 24 14.340 -1.244 5.268
203 HB2 PRO 24 HB2 PRO 24 12.694 -3.382 5.731
204 HB3 PRO 24 HB3 PRO 24 12.086 -1.747 5.403
205 HG2 PRO 24 HG2 PRO 24 12.273 -4.096 3.593
206 HG3 PRO 24 HG3 PRO 24 11.026 -2.845 3.696
207 HD2 PRO 24 HD2 PRO 24 12.992 -2.912 1.784
208 HD3 PRO 24 HD3 PRO 24 12.147 -1.437 2.301
209 H GLU 25 H GLU 25 16.613 -2.089 4.318
210 HA GLU 25 HA GLU 25 17.178 -4.633 5.694
211 HB2 GLU 25 HB2 GLU 25 16.308 -5.033 3.279
212 HB3 GLU 25 HB3 GLU 25 17.862 -4.380 2.761
213 HG2 GLU 25 HG2 GLU 25 18.370 -6.643 2.890
214 HG3 GLU 25 HG3 GLU 25 18.820 -6.115 4.512
215 H ARG 26 H ARG 26 18.666 -2.537 3.178
216 HA ARG 26 HA ARG 26 20.835 -1.803 5.076
217 HB2 ARG 26 HB2 ARG 26 21.001 -3.619 2.721
218 HB3 ARG 26 HB3 ARG 26 22.314 -2.456 2.901
219 HG2 ARG 26 HG2 ARG 26 22.526 -3.230 5.310
220 HG3 ARG 26 HG3 ARG 26 21.411 -4.537 4.907
221 HD2 ARG 26 HD2 ARG 26 23.882 -4.066 3.233
222 HD3 ARG 26 HD3 ARG 26 23.954 -5.041 4.713
223 HE ARG 26 HE ARG 26 22.128 -6.459 3.717
224 HH11 ARG 26 HH11 ARG 26 24.716 -6.586 2.059
225 HH12 ARG 26 HH12 ARG 26 24.077 -6.478 0.454
226 HH21 ARG 26 HH21 ARG 26 20.956 -5.347 1.494
227 HH22 ARG 26 HH22 ARG 26 21.938 -5.774 0.131
Start of MODEL 30
1 HA ARG 1 HA ARG 1 -20.878 3.668 -0.725
2 HB2 ARG 1 HB2 ARG 1 -23.201 4.146 0.895
3 HB3 ARG 1 HB3 ARG 1 -21.775 4.245 1.930
4 HG2 ARG 1 HG2 ARG 1 -20.740 5.857 0.406
5 HG3 ARG 1 HG3 ARG 1 -22.105 5.718 -0.702
6 HD2 ARG 1 HD2 ARG 1 -23.625 6.631 1.000
7 HD3 ARG 1 HD3 ARG 1 -22.291 6.713 2.167
8 HE ARG 1 HE ARG 1 -21.466 8.066 -0.202
9 HH11 ARG 1 HH11 ARG 1 -21.193 9.342 2.437
10 HH12 ARG 1 HH12 ARG 1 -22.361 10.619 2.383
11 HH21 ARG 1 HH21 ARG 1 -24.090 9.275 -0.318
12 HH22 ARG 1 HH22 ARG 1 -24.008 10.581 0.816
13 H SER 2 H SER 2 -18.900 2.958 -0.009
14 HA SER 2 HA SER 2 -18.753 1.303 2.472
15 HB2 SER 2 HB2 SER 2 -18.692 0.293 -0.145
16 HB3 SER 2 HB3 SER 2 -17.005 0.326 0.355
17 HG SER 2 HG SER 2 -19.109 -1.207 1.258
18 H ALA 3 H ALA 3 -16.988 1.865 3.697
19 HA ALA 3 HA ALA 3 -14.953 3.691 2.461
20 HB1 ALA 3 HB1 ALA 3 -14.862 4.760 4.577
21 HB2 ALA 3 HB2 ALA 3 -15.586 3.377 5.398
22 HB3 ALA 3 HB3 ALA 3 -16.573 4.399 4.353
23 H LEU 4 H LEU 4 -15.194 0.500 3.142
24 HA LEU 4 HA LEU 4 -12.399 0.325 4.225
25 HB2 LEU 4 HB2 LEU 4 -13.123 -1.732 5.318
26 HB3 LEU 4 HB3 LEU 4 -14.247 -0.440 5.732
27 HG LEU 4 HG LEU 4 -15.231 -1.585 3.339
28 HD11 LEU 4 HD11 LEU 4 -13.721 -3.521 3.901
29 HD12 LEU 4 HD12 LEU 4 -15.434 -3.941 3.854
30 HD13 LEU 4 HD13 LEU 4 -14.623 -3.719 5.404
31 HD21 LEU 4 HD21 LEU 4 -16.395 -0.608 5.425
32 HD22 LEU 4 HD22 LEU 4 -16.218 -2.217 6.125
33 HD23 LEU 4 HD23 LEU 4 -17.166 -1.994 4.655
34 H VAL 5 H VAL 5 -14.053 0.003 1.384
35 HA VAL 5 HA VAL 5 -12.852 -2.559 0.509
36 HB VAL 5 HB VAL 5 -14.539 -0.461 -0.908
37 HG11 VAL 5 HG11 VAL 5 -13.269 -1.822 -2.502
38 HG12 VAL 5 HG12 VAL 5 -14.967 -2.298 -2.536
39 HG13 VAL 5 HG13 VAL 5 -13.788 -3.298 -1.687
40 HG21 VAL 5 HG21 VAL 5 -15.808 -1.441 0.892
41 HG22 VAL 5 HG22 VAL 5 -15.222 -3.058 0.502
42 HG23 VAL 5 HG23 VAL 5 -16.332 -2.234 -0.593
43 H ASN 6 H ASN 6 -12.759 0.861 -0.613
44 HA ASN 6 HA ASN 6 -10.553 0.486 -2.422
45 HB2 ASN 6 HB2 ASN 6 -12.211 2.344 -2.465
46 HB3 ASN 6 HB3 ASN 6 -11.517 2.974 -0.971
47 HD21 ASN 6 HD21 ASN 6 -10.997 2.650 -4.444
48 HD22 ASN 6 HD22 ASN 6 -9.600 3.612 -4.510
49 H SER 7 H SER 7 -10.685 1.523 1.008
50 HA SER 7 HA SER 7 -8.042 2.381 1.406
51 HB2 SER 7 HB2 SER 7 -9.971 2.312 3.044
52 HB3 SER 7 HB3 SER 7 -9.648 0.594 3.261
53 HG SER 7 HG SER 7 -8.569 1.854 4.828
54 H TYR 8 H TYR 8 -9.251 -0.994 1.634
55 HA TYR 8 HA TYR 8 -6.619 -2.147 2.039
56 HB2 TYR 8 HB2 TYR 8 -8.531 -3.334 2.833
57 HB3 TYR 8 HB3 TYR 8 -9.367 -3.176 1.289
58 HD1 TYR 8 HD1 TYR 8 -6.144 -4.543 2.657
59 HD2 TYR 8 HD2 TYR 8 -9.368 -5.012 -0.142
60 HE1 TYR 8 HE2 TYR 8 -5.173 -6.694 1.901
61 HE2 TYR 8 HE1 TYR 8 -8.396 -7.163 -0.900
62 HH TYR 8 HH TYR 8 -5.736 -8.102 -0.809
63 H LEU 9 H LEU 9 -8.801 -1.920 -0.802
64 HA LEU 9 HA LEU 9 -7.176 -3.292 -2.686
65 HB2 LEU 9 HB2 LEU 9 -9.426 -1.383 -2.643
66 HB3 LEU 9 HB3 LEU 9 -8.471 -1.317 -4.121
67 HG LEU 9 HG LEU 9 -10.286 -2.949 -4.363
68 HD11 LEU 9 HD11 LEU 9 -9.001 -4.707 -5.256
69 HD12 LEU 9 HD12 LEU 9 -7.772 -4.571 -3.999
70 HD13 LEU 9 HD13 LEU 9 -7.880 -3.346 -5.263
71 HD21 LEU 9 HD21 LEU 9 -9.024 -4.208 -1.911
72 HD22 LEU 9 HD22 LEU 9 -10.215 -5.021 -2.926
73 HD23 LEU 9 HD23 LEU 9 -10.656 -3.556 -2.050
74 H TRP 10 H TRP 10 -7.191 0.151 -1.748
75 HA TRP 10 HA TRP 10 -5.094 0.919 -3.612
76 HB2 TRP 10 HB2 TRP 10 -6.908 2.379 -2.658
77 HB3 TRP 10 HB3 TRP 10 -6.121 2.256 -1.088
78 HD1 TRP 10 HD1 TRP 10 -5.593 4.830 -0.999
79 HE1 TRP 10 HE1 TRP 10 -3.839 6.293 -2.186
80 HE3 TRP 10 HE3 TRP 10 -4.117 1.633 -4.714
81 HZ2 TRP 10 HZ2 TRP 10 -2.050 6.138 -4.404
82 HZ3 TRP 10 HZ3 TRP 10 -2.390 2.324 -6.344
83 HH2 TRP 10 HH2 TRP 10 -1.354 4.570 -6.195
84 H GLN 11 H GLN 11 -5.233 -0.080 -0.206
85 HA GLN 11 HA GLN 11 -2.537 0.583 0.520
86 HB2 GLN 11 HB2 GLN 11 -4.806 -1.009 1.536
87 HB3 GLN 11 HB3 GLN 11 -3.228 -1.588 2.065
88 HG2 GLN 11 HG2 GLN 11 -3.982 1.333 2.231
89 HG3 GLN 11 HG3 GLN 11 -4.351 0.202 3.533
90 HE21 GLN 11 HE21 GLN 11 -1.855 2.165 2.167
91 HE22 GLN 11 HE22 GLN 11 -0.580 1.594 3.130
92 H ARG 12 H ARG 12 -3.971 -2.370 -0.907
93 HA ARG 12 HA ARG 12 -1.759 -4.123 -0.770
94 HB2 ARG 12 HB2 ARG 12 -4.247 -3.824 -2.211
95 HB3 ARG 12 HB3 ARG 12 -3.003 -4.427 -3.305
96 HG2 ARG 12 HG2 ARG 12 -3.299 -5.643 -0.571
97 HG3 ARG 12 HG3 ARG 12 -4.382 -6.136 -1.873
98 HD2 ARG 12 HD2 ARG 12 -1.570 -6.053 -2.725
99 HD3 ARG 12 HD3 ARG 12 -1.867 -7.213 -1.416
100 HE ARG 12 HE ARG 12 -3.941 -7.835 -2.975
101 HH11 ARG 12 HH11 ARG 12 -1.151 -9.165 -3.264
102 HH12 ARG 12 HH12 ARG 12 -0.971 -9.133 -4.986
103 HH21 ARG 12 HH21 ARG 12 -3.552 -6.856 -5.477
104 HH22 ARG 12 HH22 ARG 12 -2.337 -7.825 -6.245
105 H TRP 13 H TRP 13 -2.248 -1.300 -2.810
106 HA TRP 13 HA TRP 13 -0.022 -1.935 -4.630
107 HB2 TRP 13 HB2 TRP 13 -2.359 -0.465 -4.722
108 HB3 TRP 13 HB3 TRP 13 -1.141 0.792 -4.533
109 HD1 TRP 13 HD1 TRP 13 -2.742 0.522 -7.196
110 HE1 TRP 13 HE1 TRP 13 -1.520 0.007 -9.407
111 HE3 TRP 13 HE3 TRP 13 1.559 -1.546 -5.374
112 HZ2 TRP 13 HZ2 TRP 13 0.952 -1.128 -10.286
113 HZ3 TRP 13 HZ3 TRP 13 3.325 -2.334 -6.920
114 HH2 TRP 13 HH2 TRP 13 3.030 -2.126 -9.371
115 H GLU 14 H GLU 14 -0.717 0.442 -2.044
116 HA GLU 14 HA GLU 14 1.963 1.625 -2.219
117 HB2 GLU 14 HB2 GLU 14 -0.287 1.978 -0.218
118 HB3 GLU 14 HB3 GLU 14 1.070 3.077 -0.463
119 HG2 GLU 14 HG2 GLU 14 0.310 3.264 -2.897
120 HG3 GLU 14 HG3 GLU 14 -1.171 2.447 -2.399
121 H ASN 15 H ASN 15 0.253 -0.551 0.055
122 HA ASN 15 HA ASN 15 2.079 -0.641 2.186
123 HB2 ASN 15 HB2 ASN 15 -0.178 -1.870 1.714
124 HB3 ASN 15 HB3 ASN 15 0.837 -3.131 1.015
125 HD21 ASN 15 HD21 ASN 15 2.716 -3.869 2.552
126 HD22 ASN 15 HD22 ASN 15 2.342 -3.970 4.203
127 H TRP 16 H TRP 16 2.221 -2.440 -0.907
128 HA TRP 16 HA TRP 16 4.735 -3.779 -0.288
129 HB2 TRP 16 HB2 TRP 16 3.334 -4.834 -1.884
130 HB3 TRP 16 HB3 TRP 16 3.001 -3.320 -2.724
131 HD1 TRP 16 HD1 TRP 16 5.686 -6.019 -2.348
132 HE1 TRP 16 HE1 TRP 16 7.367 -5.793 -4.285
133 HE3 TRP 16 HE3 TRP 16 4.027 -1.668 -4.455
134 HZ2 TRP 16 HZ2 TRP 16 7.938 -4.007 -6.440
135 HZ3 TRP 16 HZ3 TRP 16 5.163 -0.729 -6.447
136 HH2 TRP 16 HH2 TRP 16 7.116 -1.891 -7.440
137 H PHE 17 H PHE 17 3.798 -0.921 -2.226
138 HA PHE 17 HA PHE 17 6.326 -0.200 -3.269
139 HB2 PHE 17 HB2 PHE 17 3.835 0.744 -3.462
140 HB3 PHE 17 HB3 PHE 17 4.419 1.878 -2.246
141 HD1 PHE 17 HD1 PHE 17 6.718 3.032 -2.744
142 HD2 PHE 17 HD2 PHE 17 4.263 1.150 -5.725
143 HE1 PHE 17 HE1 PHE 17 7.870 4.332 -4.513
144 HE2 PHE 17 HE2 PHE 17 5.417 2.450 -7.495
145 HZ PHE 17 HZ PHE 17 7.220 4.041 -6.888
146 H TRP 18 H TRP 18 4.833 0.695 -0.138
147 HA TRP 18 HA TRP 18 7.084 2.285 0.762
148 HB2 TRP 18 HB2 TRP 18 4.728 0.962 2.141
149 HB3 TRP 18 HB3 TRP 18 5.844 2.050 2.964
150 HD1 TRP 18 HD1 TRP 18 2.597 2.292 1.742
151 HE1 TRP 18 HE1 TRP 18 2.021 4.596 0.738
152 HE3 TRP 18 HE3 TRP 18 7.302 4.154 1.042
153 HZ2 TRP 18 HZ2 TRP 18 3.374 6.916 -0.234
154 HZ3 TRP 18 HZ3 TRP 18 7.628 6.411 0.075
155 HH2 TRP 18 HH2 TRP 18 5.672 7.795 -0.563
156 H ASN 19 H ASN 19 5.953 -1.016 1.662
157 HA ASN 19 HA ASN 19 8.122 -1.632 3.417
158 HB2 ASN 19 HB2 ASN 19 5.799 -2.769 2.824
159 HB3 ASN 19 HB3 ASN 19 6.797 -3.724 1.729
160 HD21 ASN 19 HD21 ASN 19 9.004 -4.471 2.964
161 HD22 ASN 19 HD22 ASN 19 8.735 -5.132 4.504
162 H VAL 20 H VAL 20 8.021 -1.588 -0.098
163 HA VAL 20 HA VAL 20 10.540 -3.181 -0.247
164 HB VAL 20 HB VAL 20 8.541 -2.211 -2.316
165 HG11 VAL 20 HG11 VAL 20 10.717 -2.381 -3.372
166 HG12 VAL 20 HG12 VAL 20 9.770 -3.795 -3.834
167 HG13 VAL 20 HG13 VAL 20 11.018 -3.937 -2.597
168 HG21 VAL 20 HG21 VAL 20 7.395 -4.037 -1.655
169 HG22 VAL 20 HG22 VAL 20 8.691 -4.514 -0.559
170 HG23 VAL 20 HG23 VAL 20 8.732 -5.022 -2.247
171 H THR 21 H THR 21 9.276 0.089 -0.887
172 HA THR 21 HA THR 21 11.817 0.944 -2.122
173 HB THR 21 HB THR 21 9.259 2.398 -1.389
174 HG1 THR 21 HG1 THR 21 10.279 1.347 -3.821
175 HG21 THR 21 HG21 THR 21 10.769 4.152 -1.552
176 HG22 THR 21 HG22 THR 21 10.285 3.980 -3.239
177 HG23 THR 21 HG23 THR 21 11.810 3.288 -2.684
178 H LEU 22 H LEU 22 10.129 1.347 0.974
179 HA LEU 22 HA LEU 22 11.911 3.382 2.014
180 HB2 LEU 22 HB2 LEU 22 10.047 1.386 3.333
181 HB3 LEU 22 HB3 LEU 22 10.825 2.717 4.186
182 HG LEU 22 HG LEU 22 9.024 3.076 1.770
183 HD11 LEU 22 HD11 LEU 22 7.394 3.957 3.472
184 HD12 LEU 22 HD12 LEU 22 8.456 3.338 4.737
185 HD13 LEU 22 HD13 LEU 22 7.690 2.223 3.605
186 HD21 LEU 22 HD21 LEU 22 10.378 4.957 3.715
187 HD22 LEU 22 HD22 LEU 22 8.991 5.457 2.746
188 HD23 LEU 22 HD23 LEU 22 10.484 4.949 1.955
189 H ARG 23 H ARG 23 12.015 -0.135 1.949
190 HA ARG 23 HA ARG 23 13.866 -0.673 4.020
191 HB2 ARG 23 HB2 ARG 23 12.864 -1.939 1.560
192 HB3 ARG 23 HB3 ARG 23 14.485 -2.470 2.007
193 HG2 ARG 23 HG2 ARG 23 13.578 -2.823 4.367
194 HG3 ARG 23 HG3 ARG 23 11.967 -2.601 3.680
195 HD2 ARG 23 HD2 ARG 23 12.149 -4.543 2.324
196 HD3 ARG 23 HD3 ARG 23 13.910 -4.621 2.529
197 HE ARG 23 HE ARG 23 11.908 -5.286 4.640
198 HH11 ARG 23 HH11 ARG 23 13.851 -7.311 3.563
199 HH12 ARG 23 HH12 ARG 23 15.084 -7.313 4.780
200 HH21 ARG 23 HH21 ARG 23 14.055 -4.304 6.189
201 HH22 ARG 23 HH22 ARG 23 15.200 -5.602 6.275
202 HA PRO 24 HA PRO 24 17.516 0.001 1.033
203 HB2 PRO 24 HB2 PRO 24 17.047 0.830 -1.531
204 HB3 PRO 24 HB3 PRO 24 17.066 -0.880 -1.060
205 HG2 PRO 24 HG2 PRO 24 14.760 0.912 -1.585
206 HG3 PRO 24 HG3 PRO 24 14.950 -0.813 -1.922
207 HD2 PRO 24 HD2 PRO 24 13.524 0.223 0.193
208 HD3 PRO 24 HD3 PRO 24 14.195 -1.419 0.131
209 H GLU 25 H GLU 25 16.460 1.913 2.670
210 HA GLU 25 HA GLU 25 17.565 4.405 1.663
211 HB2 GLU 25 HB2 GLU 25 15.038 3.874 0.782
212 HB3 GLU 25 HB3 GLU 25 14.675 4.711 2.291
213 HG2 GLU 25 HG2 GLU 25 14.859 6.544 0.903
214 HG3 GLU 25 HG3 GLU 25 16.552 6.384 1.370
215 H ARG 26 H ARG 26 15.194 3.052 3.991
216 HA ARG 26 HA ARG 26 16.723 4.349 6.212
217 HB2 ARG 26 HB2 ARG 26 14.599 5.572 5.313
218 HB3 ARG 26 HB3 ARG 26 13.708 4.280 6.117
219 HG2 ARG 26 HG2 ARG 26 14.309 4.987 8.227
220 HG3 ARG 26 HG3 ARG 26 15.852 5.646 7.683
221 HD2 ARG 26 HD2 ARG 26 13.439 6.992 6.584
222 HD3 ARG 26 HD3 ARG 26 13.733 7.222 8.319
223 HE ARG 26 HE ARG 26 15.969 7.628 6.377
224 HH11 ARG 26 HH11 ARG 26 16.377 8.169 9.279
225 HH12 ARG 26 HH12 ARG 26 16.121 9.879 9.383
226 HH21 ARG 26 HH21 ARG 26 14.532 10.085 6.295
227 HH22 ARG 26 HH22 ARG 26 15.071 10.969 7.684
Start of MODEL 31
1 HA ARG 1 HA ARG 1 -17.343 -0.049 -8.787
2 HB2 ARG 1 HB2 ARG 1 -15.743 1.796 -9.781
3 HB3 ARG 1 HB3 ARG 1 -14.829 1.532 -8.295
4 HG2 ARG 1 HG2 ARG 1 -13.833 -0.115 -9.530
5 HG3 ARG 1 HG3 ARG 1 -15.252 -1.040 -9.040
6 HD2 ARG 1 HD2 ARG 1 -15.105 -1.303 -11.424
7 HD3 ARG 1 HD3 ARG 1 -16.387 -0.103 -11.166
8 HE ARG 1 HE ARG 1 -14.594 1.658 -11.530
9 HH11 ARG 1 HH11 ARG 1 -12.195 -0.056 -11.570
10 HH12 ARG 1 HH12 ARG 1 -11.925 -0.312 -13.261
11 HH21 ARG 1 HH21 ARG 1 -15.128 0.678 -14.186
12 HH22 ARG 1 HH22 ARG 1 -13.594 0.106 -14.750
13 H SER 2 H SER 2 -18.444 -0.143 -6.482
14 HA SER 2 HA SER 2 -18.296 -0.910 -4.259
15 HB2 SER 2 HB2 SER 2 -16.070 -1.911 -5.750
16 HB3 SER 2 HB3 SER 2 -15.497 -1.509 -4.135
17 HG SER 2 HG SER 2 -17.012 -3.569 -4.931
18 H ALA 3 H ALA 3 -16.625 -0.623 -2.221
19 HA ALA 3 HA ALA 3 -15.456 2.119 -2.227
20 HB1 ALA 3 HB1 ALA 3 -17.577 1.167 -0.276
21 HB2 ALA 3 HB2 ALA 3 -17.900 2.219 -1.654
22 HB3 ALA 3 HB3 ALA 3 -16.859 2.776 -0.344
23 H LEU 4 H LEU 4 -16.174 -0.786 -0.245
24 HA LEU 4 HA LEU 4 -13.951 -0.276 1.591
25 HB2 LEU 4 HB2 LEU 4 -16.257 -2.029 1.317
26 HB3 LEU 4 HB3 LEU 4 -14.833 -2.937 1.824
27 HG LEU 4 HG LEU 4 -14.487 -1.004 3.533
28 HD11 LEU 4 HD11 LEU 4 -17.399 -0.659 2.761
29 HD12 LEU 4 HD12 LEU 4 -16.123 0.554 2.656
30 HD13 LEU 4 HD13 LEU 4 -16.686 0.001 4.233
31 HD21 LEU 4 HD21 LEU 4 -15.127 -3.314 4.138
32 HD22 LEU 4 HD22 LEU 4 -16.816 -2.934 3.807
33 HD23 LEU 4 HD23 LEU 4 -15.980 -2.143 5.143
34 H VAL 5 H VAL 5 -14.494 -2.265 -1.273
35 HA VAL 5 HA VAL 5 -12.184 -3.964 -1.042
36 HB VAL 5 HB VAL 5 -13.735 -2.955 -3.456
37 HG11 VAL 5 HG11 VAL 5 -12.868 -4.942 -4.601
38 HG12 VAL 5 HG12 VAL 5 -11.966 -5.403 -3.158
39 HG13 VAL 5 HG13 VAL 5 -11.528 -3.942 -4.042
40 HG21 VAL 5 HG21 VAL 5 -15.354 -4.101 -2.274
41 HG22 VAL 5 HG22 VAL 5 -14.175 -5.098 -1.421
42 HG23 VAL 5 HG23 VAL 5 -14.600 -5.467 -3.093
43 H ASN 6 H ASN 6 -12.696 -0.962 -2.952
44 HA ASN 6 HA ASN 6 -10.005 -0.737 -3.918
45 HB2 ASN 6 HB2 ASN 6 -12.426 0.522 -4.291
46 HB3 ASN 6 HB3 ASN 6 -11.517 1.757 -3.421
47 HD21 ASN 6 HD21 ASN 6 -12.293 1.823 -6.295
48 HD22 ASN 6 HD22 ASN 6 -10.842 1.911 -7.172
49 H SER 7 H SER 7 -11.590 0.570 -0.978
50 HA SER 7 HA SER 7 -9.466 2.237 -0.061
51 HB2 SER 7 HB2 SER 7 -11.885 1.920 0.786
52 HB3 SER 7 HB3 SER 7 -11.264 0.541 1.689
53 HG SER 7 HG SER 7 -11.197 2.437 2.942
54 H TYR 8 H TYR 8 -10.133 -1.219 0.632
55 HA TYR 8 HA TYR 8 -7.781 -1.664 2.243
56 HB2 TYR 8 HB2 TYR 8 -9.584 -3.196 2.435
57 HB3 TYR 8 HB3 TYR 8 -9.741 -3.363 0.687
58 HD1 TYR 8 HD1 TYR 8 -7.282 -3.959 3.457
59 HD2 TYR 8 HD2 TYR 8 -8.755 -5.193 -0.385
60 HE1 TYR 8 HE2 TYR 8 -5.762 -5.917 3.502
61 HE2 TYR 8 HE1 TYR 8 -7.235 -7.151 -0.339
62 HH TYR 8 HH TYR 8 -5.974 -8.438 2.131
63 H LEU 9 H LEU 9 -8.498 -2.112 -1.224
64 HA LEU 9 HA LEU 9 -6.008 -3.294 -2.002
65 HB2 LEU 9 HB2 LEU 9 -8.336 -1.913 -3.237
66 HB3 LEU 9 HB3 LEU 9 -6.869 -1.949 -4.211
67 HG LEU 9 HG LEU 9 -8.095 -4.401 -2.917
68 HD11 LEU 9 HD11 LEU 9 -8.993 -4.960 -5.092
69 HD12 LEU 9 HD12 LEU 9 -8.222 -3.554 -5.824
70 HD13 LEU 9 HD13 LEU 9 -9.548 -3.337 -4.682
71 HD21 LEU 9 HD21 LEU 9 -5.822 -3.906 -4.846
72 HD22 LEU 9 HD22 LEU 9 -6.608 -5.480 -4.734
73 HD23 LEU 9 HD23 LEU 9 -5.791 -4.801 -3.327
74 H TRP 10 H TRP 10 -7.064 0.102 -1.782
75 HA TRP 10 HA TRP 10 -4.762 1.347 -2.924
76 HB2 TRP 10 HB2 TRP 10 -6.749 2.605 -2.619
77 HB3 TRP 10 HB3 TRP 10 -6.907 2.111 -0.937
78 HD1 TRP 10 HD1 TRP 10 -4.510 4.207 -3.136
79 HE1 TRP 10 HE1 TRP 10 -3.585 6.132 -1.691
80 HE3 TRP 10 HE3 TRP 10 -6.635 3.036 1.354
81 HZ2 TRP 10 HZ2 TRP 10 -3.726 7.050 1.015
82 HZ3 TRP 10 HZ3 TRP 10 -6.223 4.448 3.347
83 HH2 TRP 10 HH2 TRP 10 -4.772 6.453 3.184
84 H GLN 11 H GLN 11 -5.507 0.506 0.485
85 HA GLN 11 HA GLN 11 -3.086 1.573 1.610
86 HB2 GLN 11 HB2 GLN 11 -5.458 0.267 2.441
87 HB3 GLN 11 HB3 GLN 11 -4.127 -0.724 3.037
88 HG2 GLN 11 HG2 GLN 11 -3.700 2.170 3.384
89 HG3 GLN 11 HG3 GLN 11 -5.077 1.538 4.286
90 HE21 GLN 11 HE21 GLN 11 -1.579 0.894 3.706
91 HE22 GLN 11 HE22 GLN 11 -1.306 0.199 5.230
92 H ARG 12 H ARG 12 -3.890 -1.600 0.220
93 HA ARG 12 HA ARG 12 -1.481 -2.962 1.059
94 HB2 ARG 12 HB2 ARG 12 -3.890 -3.459 -0.414
95 HB3 ARG 12 HB3 ARG 12 -2.531 -4.008 -1.393
96 HG2 ARG 12 HG2 ARG 12 -2.764 -4.714 1.537
97 HG3 ARG 12 HG3 ARG 12 -3.513 -5.701 0.281
98 HD2 ARG 12 HD2 ARG 12 -0.703 -5.013 -0.302
99 HD3 ARG 12 HD3 ARG 12 -0.911 -6.006 1.154
100 HE ARG 12 HE ARG 12 -2.517 -7.371 -0.473
101 HH11 ARG 12 HH11 ARG 12 0.209 -8.448 -0.338
102 HH12 ARG 12 HH12 ARG 12 0.750 -8.385 -1.983
103 HH21 ARG 12 HH21 ARG 12 -1.731 -6.167 -2.988
104 HH22 ARG 12 HH22 ARG 12 -0.357 -7.095 -3.492
105 H TRP 13 H TRP 13 -2.364 -1.111 -1.863
106 HA TRP 13 HA TRP 13 -0.068 -1.716 -3.444
107 HB2 TRP 13 HB2 TRP 13 -1.381 -0.495 -4.824
108 HB3 TRP 13 HB3 TRP 13 -2.369 0.010 -3.461
109 HD1 TRP 13 HD1 TRP 13 -2.444 2.505 -3.096
110 HE1 TRP 13 HE1 TRP 13 -0.937 4.517 -3.675
111 HE3 TRP 13 HE3 TRP 13 1.489 0.075 -5.256
112 HZ2 TRP 13 HZ2 TRP 13 1.600 5.027 -4.894
113 HZ3 TRP 13 HZ3 TRP 13 3.436 1.343 -6.118
114 HH2 TRP 13 HH2 TRP 13 3.496 3.814 -5.938
115 H GLU 14 H GLU 14 -0.622 0.976 -1.132
116 HA GLU 14 HA GLU 14 2.028 2.099 -1.433
117 HB2 GLU 14 HB2 GLU 14 -0.261 2.308 0.513
118 HB3 GLU 14 HB3 GLU 14 1.273 3.105 0.872
119 HG2 GLU 14 HG2 GLU 14 1.165 4.186 -1.395
120 HG3 GLU 14 HG3 GLU 14 -0.452 3.511 -1.583
121 H ASN 15 H ASN 15 0.588 -0.265 0.822
122 HA ASN 15 HA ASN 15 2.796 -0.540 2.614
123 HB2 ASN 15 HB2 ASN 15 0.753 -1.547 3.242
124 HB3 ASN 15 HB3 ASN 15 0.527 -2.288 1.659
125 HD21 ASN 15 HD21 ASN 15 3.371 -2.373 3.896
126 HD22 ASN 15 HD22 ASN 15 3.423 -4.067 3.990
127 H TRP 16 H TRP 16 1.969 -2.361 -0.362
128 HA TRP 16 HA TRP 16 4.376 -3.956 -0.400
129 HB2 TRP 16 HB2 TRP 16 2.564 -4.772 -1.669
130 HB3 TRP 16 HB3 TRP 16 2.196 -3.181 -2.338
131 HD1 TRP 16 HD1 TRP 16 4.725 -6.050 -2.668
132 HE1 TRP 16 HE1 TRP 16 5.872 -5.876 -4.969
133 HE3 TRP 16 HE3 TRP 16 2.767 -1.620 -4.295
134 HZ2 TRP 16 HZ2 TRP 16 5.952 -4.094 -7.201
135 HZ3 TRP 16 HZ3 TRP 16 3.399 -0.709 -6.510
136 HH2 TRP 16 HH2 TRP 16 4.986 -1.939 -7.965
137 H PHE 17 H PHE 17 3.438 -0.878 -1.958
138 HA PHE 17 HA PHE 17 5.710 -0.437 -3.579
139 HB2 PHE 17 HB2 PHE 17 3.736 0.953 -3.687
140 HB3 PHE 17 HB3 PHE 17 3.901 1.415 -1.995
141 HD1 PHE 17 HD1 PHE 17 5.645 1.609 -5.298
142 HD2 PHE 17 HD2 PHE 17 5.151 3.316 -1.387
143 HE1 PHE 17 HE2 PHE 17 7.067 3.531 -5.955
144 HE2 PHE 17 HE1 PHE 17 6.573 5.237 -2.045
145 HZ PHE 17 HZ PHE 17 7.531 5.344 -4.328
146 H TRP 18 H TRP 18 5.179 0.843 -0.257
147 HA TRP 18 HA TRP 18 7.862 1.781 0.111
148 HB2 TRP 18 HB2 TRP 18 5.586 0.993 1.941
149 HB3 TRP 18 HB3 TRP 18 7.110 1.610 2.579
150 HD1 TRP 18 HD1 TRP 18 3.897 2.886 1.913
151 HE1 TRP 18 HE1 TRP 18 3.910 5.369 1.220
152 HE3 TRP 18 HE3 TRP 18 8.830 3.443 0.710
153 HZ2 TRP 18 HZ2 TRP 18 5.767 7.332 0.282
154 HZ3 TRP 18 HZ3 TRP 18 9.692 5.628 -0.080
155 HH2 TRP 18 HH2 TRP 18 8.168 7.571 -0.296
156 H ASN 19 H ASN 19 6.339 -1.374 0.734
157 HA ASN 19 HA ASN 19 8.314 -2.628 2.315
158 HB2 ASN 19 HB2 ASN 19 6.058 -3.495 1.616
159 HB3 ASN 19 HB3 ASN 19 6.723 -3.816 0.016
160 HD21 ASN 19 HD21 ASN 19 6.552 -4.994 3.305
161 HD22 ASN 19 HD22 ASN 19 7.502 -6.380 3.063
162 H VAL 20 H VAL 20 8.271 -2.095 -1.217
163 HA VAL 20 HA VAL 20 10.965 -3.380 -1.423
164 HB VAL 20 HB VAL 20 10.442 -3.382 -3.865
165 HG11 VAL 20 HG11 VAL 20 8.743 -5.104 -3.763
166 HG12 VAL 20 HG12 VAL 20 8.170 -4.510 -2.205
167 HG13 VAL 20 HG13 VAL 20 9.762 -5.258 -2.333
168 HG21 VAL 20 HG21 VAL 20 8.311 -2.648 -4.689
169 HG22 VAL 20 HG22 VAL 20 8.948 -1.322 -3.719
170 HG23 VAL 20 HG23 VAL 20 7.700 -2.377 -3.060
171 H THR 21 H THR 21 9.339 -0.276 -1.664
172 HA THR 21 HA THR 21 11.474 1.065 -3.135
173 HB THR 21 HB THR 21 9.115 2.044 -1.498
174 HG1 THR 21 HG1 THR 21 8.326 1.066 -3.251
175 HG21 THR 21 HG21 THR 21 10.440 3.951 -1.580
176 HG22 THR 21 HG22 THR 21 9.558 4.099 -3.101
177 HG23 THR 21 HG23 THR 21 11.208 3.477 -3.095
178 H LEU 22 H LEU 22 10.751 0.483 0.262
179 HA LEU 22 HA LEU 22 12.555 2.508 1.312
180 HB2 LEU 22 HB2 LEU 22 11.154 0.068 2.410
181 HB3 LEU 22 HB3 LEU 22 12.211 1.056 3.417
182 HG LEU 22 HG LEU 22 9.809 2.100 1.883
183 HD11 LEU 22 HD11 LEU 22 10.182 1.626 4.857
184 HD12 LEU 22 HD12 LEU 22 9.199 0.626 3.788
185 HD13 LEU 22 HD13 LEU 22 8.749 2.305 4.085
186 HD21 LEU 22 HD21 LEU 22 11.308 3.911 2.118
187 HD22 LEU 22 HD22 LEU 22 11.869 3.358 3.696
188 HD23 LEU 22 HD23 LEU 22 10.262 4.064 3.529
189 H ARG 23 H ARG 23 13.086 -0.558 -0.120
190 HA ARG 23 HA ARG 23 15.004 -1.896 -0.363
191 HB2 ARG 23 HB2 ARG 23 16.074 0.817 0.422
192 HB3 ARG 23 HB3 ARG 23 17.166 -0.528 0.103
193 HG2 ARG 23 HG2 ARG 23 15.748 -0.798 -2.093
194 HG3 ARG 23 HG3 ARG 23 15.302 0.880 -1.785
195 HD2 ARG 23 HD2 ARG 23 18.085 0.809 -1.382
196 HD3 ARG 23 HD3 ARG 23 17.803 -0.171 -2.836
197 HE ARG 23 HE ARG 23 16.395 1.791 -3.669
198 HH11 ARG 23 HH11 ARG 23 19.266 2.495 -3.905
199 HH12 ARG 23 HH12 ARG 23 19.356 4.020 -3.088
200 HH21 ARG 23 HH21 ARG 23 16.308 3.621 -1.461
201 HH22 ARG 23 HH22 ARG 23 17.675 4.660 -1.698
202 HA PRO 24 HA PRO 24 15.103 -2.762 4.173
203 HB2 PRO 24 HB2 PRO 24 14.158 -5.325 3.997
204 HB3 PRO 24 HB3 PRO 24 13.093 -3.910 4.113
205 HG2 PRO 24 HG2 PRO 24 13.808 -5.550 1.748
206 HG3 PRO 24 HG3 PRO 24 12.285 -4.740 2.147
207 HD2 PRO 24 HD2 PRO 24 14.147 -3.797 0.340
208 HD3 PRO 24 HD3 PRO 24 12.920 -2.801 1.150
209 H GLU 25 H GLU 25 17.458 -2.632 3.027
210 HA GLU 25 HA GLU 25 18.716 -5.310 3.442
211 HB2 GLU 25 HB2 GLU 25 20.050 -4.941 1.388
212 HB3 GLU 25 HB3 GLU 25 18.325 -4.945 1.024
213 HG2 GLU 25 HG2 GLU 25 18.407 -2.401 1.234
214 HG3 GLU 25 HG3 GLU 25 20.163 -2.550 1.252
215 H ARG 26 H ARG 26 20.733 -5.186 4.463
216 HA ARG 26 HA ARG 26 22.023 -2.516 4.792
217 HB2 ARG 26 HB2 ARG 26 20.344 -2.978 6.628
218 HB3 ARG 26 HB3 ARG 26 21.319 -4.374 7.087
219 HG2 ARG 26 HG2 ARG 26 23.100 -2.170 6.841
220 HG3 ARG 26 HG3 ARG 26 21.716 -1.610 7.779
221 HD2 ARG 26 HD2 ARG 26 23.195 -2.544 9.403
222 HD3 ARG 26 HD3 ARG 26 21.997 -3.824 9.125
223 HE ARG 26 HE ARG 26 23.616 -4.990 7.735
224 HH11 ARG 26 HH11 ARG 26 25.227 -4.169 10.216
225 HH12 ARG 26 HH12 ARG 26 26.682 -3.584 9.482
226 HH21 ARG 26 HH21 ARG 26 25.284 -3.325 6.308
227 HH22 ARG 26 HH22 ARG 26 26.715 -3.105 7.260
Start of MODEL 32
1 HA ARG 1 HA ARG 1 -20.230 2.760 -3.805
2 HB2 ARG 1 HB2 ARG 1 -21.892 4.363 -2.120
3 HB3 ARG 1 HB3 ARG 1 -20.273 4.369 -1.424
4 HG2 ARG 1 HG2 ARG 1 -19.299 5.207 -3.426
5 HG3 ARG 1 HG3 ARG 1 -20.745 4.851 -4.371
6 HD2 ARG 1 HD2 ARG 1 -20.767 6.829 -2.068
7 HD3 ARG 1 HD3 ARG 1 -20.447 7.312 -3.746
8 HE ARG 1 HE ARG 1 -22.701 5.943 -4.152
9 HH11 ARG 1 HH11 ARG 1 -22.905 6.160 -1.025
10 HH12 ARG 1 HH12 ARG 1 -24.071 7.434 -0.899
11 HH21 ARG 1 HH21 ARG 1 -23.763 8.394 -4.226
12 HH22 ARG 1 HH22 ARG 1 -24.559 8.705 -2.721
13 H SER 2 H SER 2 -18.160 2.188 -3.103
14 HA SER 2 HA SER 2 -18.002 0.376 -0.758
15 HB2 SER 2 HB2 SER 2 -16.025 1.163 -2.924
16 HB3 SER 2 HB3 SER 2 -15.760 -0.103 -1.729
17 HG SER 2 HG SER 2 -16.708 -0.622 -3.936
18 H ALA 3 H ALA 3 -17.055 0.992 1.160
19 HA ALA 3 HA ALA 3 -15.729 3.682 1.259
20 HB1 ALA 3 HB1 ALA 3 -16.505 3.668 3.613
21 HB2 ALA 3 HB2 ALA 3 -17.171 2.052 3.377
22 HB3 ALA 3 HB3 ALA 3 -17.850 3.421 2.498
23 H LEU 4 H LEU 4 -15.553 0.351 2.559
24 HA LEU 4 HA LEU 4 -12.757 0.886 3.469
25 HB2 LEU 4 HB2 LEU 4 -14.977 -0.990 4.210
26 HB3 LEU 4 HB3 LEU 4 -13.316 -1.455 4.571
27 HG LEU 4 HG LEU 4 -13.304 1.111 5.470
28 HD11 LEU 4 HD11 LEU 4 -15.398 1.498 6.700
29 HD12 LEU 4 HD12 LEU 4 -16.079 0.016 6.029
30 HD13 LEU 4 HD13 LEU 4 -15.719 1.379 4.970
31 HD21 LEU 4 HD21 LEU 4 -13.676 0.089 7.740
32 HD22 LEU 4 HD22 LEU 4 -12.518 -0.799 6.750
33 HD23 LEU 4 HD23 LEU 4 -14.164 -1.402 6.936
34 H VAL 5 H VAL 5 -14.626 -0.951 1.156
35 HA VAL 5 HA VAL 5 -12.832 -3.097 0.603
36 HB VAL 5 HB VAL 5 -14.755 -1.555 -1.176
37 HG11 VAL 5 HG11 VAL 5 -14.791 -3.851 -2.376
38 HG12 VAL 5 HG12 VAL 5 -13.259 -4.148 -1.554
39 HG13 VAL 5 HG13 VAL 5 -13.411 -2.793 -2.673
40 HG21 VAL 5 HG21 VAL 5 -15.844 -2.529 0.787
41 HG22 VAL 5 HG22 VAL 5 -15.061 -4.080 0.484
42 HG23 VAL 5 HG23 VAL 5 -16.273 -3.469 -0.642
43 H ASN 6 H ASN 6 -13.129 0.069 -1.081
44 HA ASN 6 HA ASN 6 -10.809 -0.317 -2.755
45 HB2 ASN 6 HB2 ASN 6 -12.878 1.610 -2.278
46 HB3 ASN 6 HB3 ASN 6 -11.331 2.455 -2.255
47 HD21 ASN 6 HD21 ASN 6 -10.085 2.521 -4.243
48 HD22 ASN 6 HD22 ASN 6 -10.726 1.991 -5.722
49 H SER 7 H SER 7 -11.256 1.065 0.493
50 HA SER 7 HA SER 7 -8.757 2.383 0.812
51 HB2 SER 7 HB2 SER 7 -10.716 0.985 2.624
52 HB3 SER 7 HB3 SER 7 -9.220 1.633 3.286
53 HG SER 7 HG SER 7 -11.461 2.924 2.626
54 H TYR 8 H TYR 8 -9.653 -1.028 1.427
55 HA TYR 8 HA TYR 8 -7.001 -1.856 2.261
56 HB2 TYR 8 HB2 TYR 8 -8.920 -3.142 2.918
57 HB3 TYR 8 HB3 TYR 8 -9.502 -3.248 1.257
58 HD1 TYR 8 HD1 TYR 8 -6.612 -4.210 3.432
59 HD2 TYR 8 HD2 TYR 8 -8.913 -5.082 -0.088
60 HE1 TYR 8 HE1 TYR 8 -5.325 -6.304 3.110
61 HE2 TYR 8 HE2 TYR 8 -7.628 -7.178 -0.409
62 HH TYR 8 HH TYR 8 -6.155 -8.751 1.588
63 H LEU 9 H LEU 9 -8.783 -1.879 -0.823
64 HA LEU 9 HA LEU 9 -6.881 -3.300 -2.415
65 HB2 LEU 9 HB2 LEU 9 -9.145 -1.386 -2.805
66 HB3 LEU 9 HB3 LEU 9 -8.088 -1.669 -4.184
67 HG LEU 9 HG LEU 9 -9.437 -3.861 -2.581
68 HD11 LEU 9 HD11 LEU 9 -11.000 -4.065 -4.399
69 HD12 LEU 9 HD12 LEU 9 -10.118 -2.885 -5.367
70 HD13 LEU 9 HD13 LEU 9 -10.986 -2.366 -3.923
71 HD21 LEU 9 HD21 LEU 9 -7.505 -4.787 -3.584
72 HD22 LEU 9 HD22 LEU 9 -7.673 -3.794 -5.032
73 HD23 LEU 9 HD23 LEU 9 -8.782 -5.135 -4.749
74 H TRP 10 H TRP 10 -7.334 0.229 -1.948
75 HA TRP 10 HA TRP 10 -5.070 1.049 -3.517
76 HB2 TRP 10 HB2 TRP 10 -6.907 2.540 -2.924
77 HB3 TRP 10 HB3 TRP 10 -6.584 2.314 -1.206
78 HD1 TRP 10 HD1 TRP 10 -5.872 4.706 -0.550
79 HE1 TRP 10 HE1 TRP 10 -3.927 6.260 -1.223
80 HE3 TRP 10 HE3 TRP 10 -3.991 2.108 -4.530
81 HZ2 TRP 10 HZ2 TRP 10 -1.851 6.384 -3.184
82 HZ3 TRP 10 HZ3 TRP 10 -2.032 2.969 -5.778
83 HH2 TRP 10 HH2 TRP 10 -0.961 5.101 -5.111
84 H GLN 11 H GLN 11 -5.449 0.208 -0.077
85 HA GLN 11 HA GLN 11 -2.893 1.046 0.870
86 HB2 GLN 11 HB2 GLN 11 -5.103 -0.739 1.661
87 HB3 GLN 11 HB3 GLN 11 -3.539 -1.220 2.317
88 HG2 GLN 11 HG2 GLN 11 -3.330 1.355 2.880
89 HG3 GLN 11 HG3 GLN 11 -5.091 1.303 2.779
90 HE21 GLN 11 HE21 GLN 11 -2.485 -0.770 4.213
91 HE22 GLN 11 HE22 GLN 11 -3.305 -1.024 5.677
92 H ARG 12 H ARG 12 -3.939 -2.078 -0.534
93 HA ARG 12 HA ARG 12 -1.570 -3.583 -0.255
94 HB2 ARG 12 HB2 ARG 12 -3.964 -4.073 -1.235
95 HB3 ARG 12 HB3 ARG 12 -3.222 -3.628 -2.772
96 HG2 ARG 12 HG2 ARG 12 -1.421 -5.314 -2.334
97 HG3 ARG 12 HG3 ARG 12 -2.299 -5.819 -0.889
98 HD2 ARG 12 HD2 ARG 12 -3.184 -7.335 -2.415
99 HD3 ARG 12 HD3 ARG 12 -4.318 -5.992 -2.669
100 HE ARG 12 HE ARG 12 -2.883 -5.273 -4.583
101 HH11 ARG 12 HH11 ARG 12 -0.527 -7.047 -3.692
102 HH12 ARG 12 HH12 ARG 12 -0.590 -8.291 -4.893
103 HH21 ARG 12 HH21 ARG 12 -3.800 -7.473 -5.949
104 HH22 ARG 12 HH22 ARG 12 -2.451 -8.535 -6.176
105 H TRP 13 H TRP 13 -2.393 -1.126 -2.692
106 HA TRP 13 HA TRP 13 -0.223 -1.527 -4.503
107 HB2 TRP 13 HB2 TRP 13 -2.411 0.187 -4.138
108 HB3 TRP 13 HB3 TRP 13 -1.015 1.258 -4.092
109 HD1 TRP 13 HD1 TRP 13 -3.194 1.024 -6.474
110 HE1 TRP 13 HE1 TRP 13 -2.331 0.608 -8.872
111 HE3 TRP 13 HE3 TRP 13 1.421 -0.888 -5.428
112 HZ2 TRP 13 HZ2 TRP 13 0.011 -0.399 -10.168
113 HZ3 TRP 13 HZ3 TRP 13 2.947 -1.564 -7.260
114 HH2 TRP 13 HH2 TRP 13 2.249 -1.321 -9.624
115 H GLU 14 H GLU 14 -0.522 0.982 -1.967
116 HA GLU 14 HA GLU 14 2.278 1.715 -2.082
117 HB2 GLU 14 HB2 GLU 14 0.075 2.239 -0.061
118 HB3 GLU 14 HB3 GLU 14 1.612 3.103 -0.128
119 HG2 GLU 14 HG2 GLU 14 0.849 3.397 -2.699
120 HG3 GLU 14 HG3 GLU 14 -0.742 3.288 -1.943
121 H ASN 15 H ASN 15 0.390 -0.522 -0.074
122 HA ASN 15 HA ASN 15 2.094 -0.942 2.119
123 HB2 ASN 15 HB2 ASN 15 -0.003 -2.051 2.043
124 HB3 ASN 15 HB3 ASN 15 0.322 -2.737 0.453
125 HD21 ASN 15 HD21 ASN 15 2.424 -2.760 3.394
126 HD22 ASN 15 HD22 ASN 15 2.508 -4.453 3.488
127 H TRP 16 H TRP 16 2.260 -2.545 -1.088
128 HA TRP 16 HA TRP 16 4.721 -3.978 -0.489
129 HB2 TRP 16 HB2 TRP 16 3.405 -4.950 -2.168
130 HB3 TRP 16 HB3 TRP 16 2.981 -3.393 -2.876
131 HD1 TRP 16 HD1 TRP 16 5.805 -5.974 -2.771
132 HE1 TRP 16 HE1 TRP 16 7.403 -5.533 -4.742
133 HE3 TRP 16 HE3 TRP 16 3.847 -1.594 -4.533
134 HZ2 TRP 16 HZ2 TRP 16 7.801 -3.584 -6.793
135 HZ3 TRP 16 HZ3 TRP 16 4.861 -0.469 -6.494
136 HH2 TRP 16 HH2 TRP 16 6.835 -1.458 -7.623
137 H PHE 17 H PHE 17 3.914 -0.973 -2.244
138 HA PHE 17 HA PHE 17 6.488 -0.306 -3.227
139 HB2 PHE 17 HB2 PHE 17 4.648 0.927 -4.019
140 HB3 PHE 17 HB3 PHE 17 4.011 1.196 -2.399
141 HD1 PHE 17 HD1 PHE 17 7.048 1.972 -4.472
142 HD2 PHE 17 HD2 PHE 17 4.361 3.260 -1.377
143 HE1 PHE 17 HE2 PHE 17 8.219 4.154 -4.362
144 HE2 PHE 17 HE1 PHE 17 5.535 5.441 -1.268
145 HZ PHE 17 HZ PHE 17 7.464 5.889 -2.760
146 H TRP 18 H TRP 18 4.975 0.539 -0.083
147 HA TRP 18 HA TRP 18 7.149 2.107 0.922
148 HB2 TRP 18 HB2 TRP 18 4.907 0.506 2.168
149 HB3 TRP 18 HB3 TRP 18 6.032 1.441 3.153
150 HD1 TRP 18 HD1 TRP 18 2.765 1.854 2.027
151 HE1 TRP 18 HE1 TRP 18 2.148 4.292 1.467
152 HE3 TRP 18 HE3 TRP 18 7.436 3.886 1.642
153 HZ2 TRP 18 HZ2 TRP 18 3.458 6.774 0.931
154 HZ3 TRP 18 HZ3 TRP 18 7.721 6.287 1.109
155 HH2 TRP 18 HH2 TRP 18 5.739 7.733 0.754
156 H ASN 19 H ASN 19 6.319 -1.304 1.765
157 HA ASN 19 HA ASN 19 8.700 -1.821 3.253
158 HB2 ASN 19 HB2 ASN 19 6.371 -3.192 2.303
159 HB3 ASN 19 HB3 ASN 19 7.778 -4.198 1.957
160 HD21 ASN 19 HD21 ASN 19 5.866 -2.758 4.562
161 HD22 ASN 19 HD22 ASN 19 6.637 -3.587 5.826
162 H VAL 20 H VAL 20 8.157 -1.876 -0.245
163 HA VAL 20 HA VAL 20 10.718 -3.280 -0.743
164 HB VAL 20 HB VAL 20 8.514 -2.154 -2.499
165 HG11 VAL 20 HG11 VAL 20 10.578 -2.078 -3.772
166 HG12 VAL 20 HG12 VAL 20 9.637 -3.463 -4.323
167 HG13 VAL 20 HG13 VAL 20 11.011 -3.705 -3.245
168 HG21 VAL 20 HG21 VAL 20 7.522 -4.143 -2.136
169 HG22 VAL 20 HG22 VAL 20 8.802 -4.559 -1.000
170 HG23 VAL 20 HG23 VAL 20 8.962 -4.987 -2.703
171 H THR 21 H THR 21 9.481 0.030 -0.736
172 HA THR 21 HA THR 21 11.938 0.997 -2.117
173 HB THR 21 HB THR 21 9.341 2.338 -1.312
174 HG1 THR 21 HG1 THR 21 10.378 1.463 -3.808
175 HG21 THR 21 HG21 THR 21 10.379 3.982 -3.163
176 HG22 THR 21 HG22 THR 21 11.884 3.373 -2.471
177 HG23 THR 21 HG23 THR 21 10.703 4.183 -1.441
178 H LEU 22 H LEU 22 10.195 1.339 0.972
179 HA LEU 22 HA LEU 22 11.876 3.353 2.123
180 HB2 LEU 22 HB2 LEU 22 10.153 1.149 3.272
181 HB3 LEU 22 HB3 LEU 22 10.956 2.343 4.289
182 HG LEU 22 HG LEU 22 9.106 3.075 2.004
183 HD11 LEU 22 HD11 LEU 22 7.404 3.504 3.712
184 HD12 LEU 22 HD12 LEU 22 8.512 2.974 4.978
185 HD13 LEU 22 HD13 LEU 22 7.912 1.816 3.791
186 HD21 LEU 22 HD21 LEU 22 10.339 4.618 4.307
187 HD22 LEU 22 HD22 LEU 22 9.071 5.263 3.264
188 HD23 LEU 22 HD23 LEU 22 10.647 4.854 2.586
189 H ARG 23 H ARG 23 12.212 -0.170 1.981
190 HA ARG 23 HA ARG 23 14.296 -0.481 3.903
191 HB2 ARG 23 HB2 ARG 23 13.120 -1.975 1.631
192 HB3 ARG 23 HB3 ARG 23 14.774 -2.433 2.040
193 HG2 ARG 23 HG2 ARG 23 12.635 -2.166 4.156
194 HG3 ARG 23 HG3 ARG 23 12.881 -3.672 3.274
195 HD2 ARG 23 HD2 ARG 23 15.309 -2.378 4.450
196 HD3 ARG 23 HD3 ARG 23 14.187 -3.185 5.563
197 HE ARG 23 HE ARG 23 14.379 -5.203 4.022
198 HH11 ARG 23 HH11 ARG 23 16.859 -5.079 5.584
199 HH12 ARG 23 HH12 ARG 23 18.096 -5.077 4.373
200 HH21 ARG 23 HH21 ARG 23 15.936 -4.188 1.797
201 HH22 ARG 23 HH22 ARG 23 17.572 -4.565 2.219
202 HA PRO 24 HA PRO 24 17.512 0.148 0.462
203 HB2 PRO 24 HB2 PRO 24 16.707 0.641 -2.105
204 HB3 PRO 24 HB3 PRO 24 16.919 -0.999 -1.462
205 HG2 PRO 24 HG2 PRO 24 14.431 0.545 -1.925
206 HG3 PRO 24 HG3 PRO 24 14.727 -1.193 -2.068
207 HD2 PRO 24 HD2 PRO 24 13.452 0.028 0.058
208 HD3 PRO 24 HD3 PRO 24 14.210 -1.577 0.105
209 H GLU 25 H GLU 25 17.078 2.166 1.931
210 HA GLU 25 HA GLU 25 16.166 4.564 0.428
211 HB2 GLU 25 HB2 GLU 25 15.786 3.693 2.980
212 HB3 GLU 25 HB3 GLU 25 17.184 4.742 3.215
213 HG2 GLU 25 HG2 GLU 25 15.520 6.323 3.419
214 HG3 GLU 25 HG3 GLU 25 15.729 6.377 1.669
215 H ARG 26 H ARG 26 17.855 5.129 -0.964
216 HA ARG 26 HA ARG 26 19.952 5.962 -1.639
217 HB2 ARG 26 HB2 ARG 26 19.053 7.387 0.450
218 HB3 ARG 26 HB3 ARG 26 20.514 6.740 1.194
219 HG2 ARG 26 HG2 ARG 26 21.173 8.798 0.188
220 HG3 ARG 26 HG3 ARG 26 21.760 7.536 -0.895
221 HD2 ARG 26 HD2 ARG 26 20.495 8.341 -2.593
222 HD3 ARG 26 HD3 ARG 26 19.033 8.279 -1.588
223 HE ARG 26 HE ARG 26 20.987 10.554 -1.515
224 HH11 ARG 26 HH11 ARG 26 19.064 10.288 0.784
225 HH12 ARG 26 HH12 ARG 26 17.753 11.299 0.276
226 HH21 ARG 26 HH21 ARG 26 18.768 11.386 -3.049
227 HH22 ARG 26 HH22 ARG 26 17.585 11.924 -1.904
Start of MODEL 33
1 HA ARG 1 HA ARG 1 -16.559 1.916 -6.131
2 HB2 ARG 1 HB2 ARG 1 -14.140 2.941 -5.218
3 HB3 ARG 1 HB3 ARG 1 -14.831 2.206 -3.771
4 HG2 ARG 1 HG2 ARG 1 -13.806 0.345 -4.672
5 HG3 ARG 1 HG3 ARG 1 -15.365 0.226 -5.485
6 HD2 ARG 1 HD2 ARG 1 -13.429 1.967 -6.881
7 HD3 ARG 1 HD3 ARG 1 -12.952 0.260 -6.800
8 HE ARG 1 HE ARG 1 -15.432 1.296 -8.070
9 HH11 ARG 1 HH11 ARG 1 -13.294 -0.461 -9.372
10 HH12 ARG 1 HH12 ARG 1 -14.100 -1.994 -9.409
11 HH21 ARG 1 HH21 ARG 1 -16.546 -1.057 -7.123
12 HH22 ARG 1 HH22 ARG 1 -15.947 -2.333 -8.129
13 H SER 2 H SER 2 -16.656 0.714 -3.612
14 HA SER 2 HA SER 2 -19.193 1.789 -2.560
15 HB2 SER 2 HB2 SER 2 -18.578 -0.652 -3.046
16 HB3 SER 2 HB3 SER 2 -17.589 -0.584 -1.589
17 HG SER 2 HG SER 2 -19.436 -0.093 -0.407
18 H ALA 3 H ALA 3 -16.151 2.774 -1.959
19 HA ALA 3 HA ALA 3 -15.266 4.094 -0.217
20 HB1 ALA 3 HB1 ALA 3 -16.753 4.930 1.338
21 HB2 ALA 3 HB2 ALA 3 -17.523 3.366 1.603
22 HB3 ALA 3 HB3 ALA 3 -17.901 4.301 0.157
23 H LEU 4 H LEU 4 -16.666 0.942 0.776
24 HA LEU 4 HA LEU 4 -14.381 0.616 2.681
25 HB2 LEU 4 HB2 LEU 4 -17.229 -0.062 2.626
26 HB3 LEU 4 HB3 LEU 4 -16.226 -1.439 3.077
27 HG LEU 4 HG LEU 4 -16.868 -0.163 5.074
28 HD11 LEU 4 HD11 LEU 4 -14.726 -0.050 6.063
29 HD12 LEU 4 HD12 LEU 4 -13.961 0.460 4.559
30 HD13 LEU 4 HD13 LEU 4 -14.518 -1.203 4.746
31 HD21 LEU 4 HD21 LEU 4 -16.395 2.139 5.356
32 HD22 LEU 4 HD22 LEU 4 -17.005 2.031 3.704
33 HD23 LEU 4 HD23 LEU 4 -15.271 2.163 3.996
34 H VAL 5 H VAL 5 -14.700 -0.014 -0.441
35 HA VAL 5 HA VAL 5 -13.754 -2.857 -0.268
36 HB VAL 5 HB VAL 5 -15.022 -1.257 -2.518
37 HG11 VAL 5 HG11 VAL 5 -15.063 -3.439 -3.720
38 HG12 VAL 5 HG12 VAL 5 -14.115 -4.152 -2.416
39 HG13 VAL 5 HG13 VAL 5 -13.418 -2.880 -3.418
40 HG21 VAL 5 HG21 VAL 5 -16.918 -2.778 -2.188
41 HG22 VAL 5 HG22 VAL 5 -16.547 -1.958 -0.672
42 HG23 VAL 5 HG23 VAL 5 -16.039 -3.628 -0.917
43 H ASN 6 H ASN 6 -13.113 0.289 -1.878
44 HA ASN 6 HA ASN 6 -10.578 -0.683 -3.009
45 HB2 ASN 6 HB2 ASN 6 -12.117 0.948 -4.120
46 HB3 ASN 6 HB3 ASN 6 -11.753 2.110 -2.843
47 HD21 ASN 6 HD21 ASN 6 -10.561 3.637 -4.117
48 HD22 ASN 6 HD22 ASN 6 -9.098 3.253 -4.886
49 H SER 7 H SER 7 -11.570 0.936 -0.047
50 HA SER 7 HA SER 7 -9.274 2.407 0.657
51 HB2 SER 7 HB2 SER 7 -11.488 2.115 1.895
52 HB3 SER 7 HB3 SER 7 -10.848 0.595 2.514
53 HG SER 7 HG SER 7 -9.141 1.767 3.445
54 H TYR 8 H TYR 8 -9.896 -1.064 1.350
55 HA TYR 8 HA TYR 8 -7.227 -1.582 2.361
56 HB2 TYR 8 HB2 TYR 8 -9.453 -2.834 2.738
57 HB3 TYR 8 HB3 TYR 8 -9.174 -3.567 1.158
58 HD1 TYR 8 HD1 TYR 8 -7.266 -5.080 0.783
59 HD2 TYR 8 HD2 TYR 8 -8.057 -3.382 4.649
60 HE1 TYR 8 HE1 TYR 8 -5.734 -6.730 1.822
61 HE2 TYR 8 HE2 TYR 8 -6.524 -5.030 5.687
62 HH TYR 8 HH TYR 8 -4.276 -6.594 4.271
63 H LEU 9 H LEU 9 -8.832 -2.047 -0.795
64 HA LEU 9 HA LEU 9 -6.740 -3.418 -2.159
65 HB2 LEU 9 HB2 LEU 9 -8.964 -1.539 -2.980
66 HB3 LEU 9 HB3 LEU 9 -7.919 -2.303 -4.172
67 HG LEU 9 HG LEU 9 -9.654 -3.727 -2.131
68 HD11 LEU 9 HD11 LEU 9 -11.000 -2.919 -3.944
69 HD12 LEU 9 HD12 LEU 9 -10.706 -4.628 -4.266
70 HD13 LEU 9 HD13 LEU 9 -9.792 -3.397 -5.137
71 HD21 LEU 9 HD21 LEU 9 -8.876 -5.740 -3.614
72 HD22 LEU 9 HD22 LEU 9 -7.790 -5.142 -2.361
73 HD23 LEU 9 HD23 LEU 9 -7.530 -4.684 -4.044
74 H TRP 10 H TRP 10 -7.279 0.062 -1.612
75 HA TRP 10 HA TRP 10 -5.123 0.956 -3.339
76 HB2 TRP 10 HB2 TRP 10 -7.028 2.370 -2.730
77 HB3 TRP 10 HB3 TRP 10 -6.621 2.231 -1.020
78 HD1 TRP 10 HD1 TRP 10 -4.369 3.044 -4.067
79 HE1 TRP 10 HE1 TRP 10 -3.099 5.228 -3.562
80 HE3 TRP 10 HE3 TRP 10 -6.392 4.217 0.476
81 HZ2 TRP 10 HZ2 TRP 10 -2.960 7.212 -1.510
82 HZ3 TRP 10 HZ3 TRP 10 -5.673 6.258 1.681
83 HH2 TRP 10 HH2 TRP 10 -3.961 7.757 0.694
84 H GLN 11 H GLN 11 -5.410 0.297 0.163
85 HA GLN 11 HA GLN 11 -2.833 1.240 0.955
86 HB2 GLN 11 HB2 GLN 11 -4.907 -0.661 1.976
87 HB3 GLN 11 HB3 GLN 11 -3.321 -0.688 2.746
88 HG2 GLN 11 HG2 GLN 11 -4.580 1.980 2.268
89 HG3 GLN 11 HG3 GLN 11 -5.240 0.984 3.566
90 HE21 GLN 11 HE21 GLN 11 -4.292 1.620 5.515
91 HE22 GLN 11 HE22 GLN 11 -2.650 1.995 5.720
92 H ARG 12 H ARG 12 -3.888 -1.960 -0.239
93 HA ARG 12 HA ARG 12 -1.528 -3.460 0.167
94 HB2 ARG 12 HB2 ARG 12 -3.971 -3.577 -1.350
95 HB3 ARG 12 HB3 ARG 12 -2.641 -4.109 -2.379
96 HG2 ARG 12 HG2 ARG 12 -1.908 -5.557 -0.369
97 HG3 ARG 12 HG3 ARG 12 -3.519 -5.244 0.278
98 HD2 ARG 12 HD2 ARG 12 -4.024 -7.148 -0.931
99 HD3 ARG 12 HD3 ARG 12 -4.176 -5.979 -2.258
100 HE ARG 12 HE ARG 12 -1.668 -7.521 -1.685
101 HH11 ARG 12 HH11 ARG 12 -3.291 -8.482 -3.950
102 HH12 ARG 12 HH12 ARG 12 -2.625 -7.629 -5.302
103 HH21 ARG 12 HH21 ARG 12 -1.025 -5.245 -3.340
104 HH22 ARG 12 HH22 ARG 12 -1.338 -5.788 -4.955
105 H TRP 13 H TRP 13 -2.340 -1.200 -2.461
106 HA TRP 13 HA TRP 13 -0.134 -1.655 -4.195
107 HB2 TRP 13 HB2 TRP 13 -2.350 -0.011 -4.030
108 HB3 TRP 13 HB3 TRP 13 -1.028 1.138 -3.857
109 HD1 TRP 13 HD1 TRP 13 -2.882 1.021 -6.415
110 HE1 TRP 13 HE1 TRP 13 -1.827 0.600 -8.733
111 HE3 TRP 13 HE3 TRP 13 1.511 -1.156 -4.999
112 HZ2 TRP 13 HZ2 TRP 13 0.567 -0.511 -9.833
113 HZ3 TRP 13 HZ3 TRP 13 3.157 -1.886 -6.698
114 HH2 TRP 13 HH2 TRP 13 2.693 -1.565 -9.110
115 H GLU 14 H GLU 14 -0.471 1.038 -1.856
116 HA GLU 14 HA GLU 14 2.290 1.816 -1.958
117 HB2 GLU 14 HB2 GLU 14 0.094 2.254 0.088
118 HB3 GLU 14 HB3 GLU 14 1.608 3.161 0.032
119 HG2 GLU 14 HG2 GLU 14 0.854 3.467 -2.532
120 HG3 GLU 14 HG3 GLU 14 -0.741 3.284 -1.801
121 H ASN 15 H ASN 15 0.509 -0.434 0.144
122 HA ASN 15 HA ASN 15 2.369 -0.827 2.227
123 HB2 ASN 15 HB2 ASN 15 0.018 -1.854 1.711
124 HB3 ASN 15 HB3 ASN 15 0.924 -3.101 0.856
125 HD21 ASN 15 HD21 ASN 15 2.961 -3.879 2.335
126 HD22 ASN 15 HD22 ASN 15 2.546 -4.225 3.944
127 H TRP 16 H TRP 16 2.265 -2.382 -1.002
128 HA TRP 16 HA TRP 16 4.702 -3.917 -0.631
129 HB2 TRP 16 HB2 TRP 16 3.163 -4.697 -2.259
130 HB3 TRP 16 HB3 TRP 16 2.934 -3.088 -2.938
131 HD1 TRP 16 HD1 TRP 16 5.338 -6.045 -2.961
132 HE1 TRP 16 HE1 TRP 16 6.995 -5.764 -4.915
133 HE3 TRP 16 HE3 TRP 16 4.111 -1.327 -4.485
134 HZ2 TRP 16 HZ2 TRP 16 7.707 -3.797 -6.865
135 HZ3 TRP 16 HZ3 TRP 16 5.296 -0.275 -6.390
136 HH2 TRP 16 HH2 TRP 16 7.091 -1.503 -7.581
137 H PHE 17 H PHE 17 3.923 -0.812 -2.220
138 HA PHE 17 HA PHE 17 6.480 -0.200 -3.290
139 HB2 PHE 17 HB2 PHE 17 4.341 0.980 -3.755
140 HB3 PHE 17 HB3 PHE 17 4.355 1.629 -2.116
141 HD1 PHE 17 HD1 PHE 17 6.370 1.502 -5.266
142 HD2 PHE 17 HD2 PHE 17 5.521 3.620 -1.625
143 HE1 PHE 17 HE1 PHE 17 7.813 3.373 -6.017
144 HE2 PHE 17 HE2 PHE 17 6.964 5.490 -2.378
145 HZ PHE 17 HZ PHE 17 8.110 5.368 -4.573
146 H TRP 18 H TRP 18 5.080 0.792 -0.133
147 HA TRP 18 HA TRP 18 7.463 2.050 0.857
148 HB2 TRP 18 HB2 TRP 18 5.068 0.768 2.214
149 HB3 TRP 18 HB3 TRP 18 6.259 1.754 3.060
150 HD1 TRP 18 HD1 TRP 18 3.003 2.275 2.116
151 HE1 TRP 18 HE1 TRP 18 2.503 4.631 1.196
152 HE3 TRP 18 HE3 TRP 18 7.745 3.816 0.994
153 HZ2 TRP 18 HZ2 TRP 18 3.922 6.869 0.129
154 HZ3 TRP 18 HZ3 TRP 18 8.138 6.062 0.029
155 HH2 TRP 18 HH2 TRP 18 6.236 7.589 -0.404
156 H ASN 19 H ASN 19 6.307 -1.310 0.964
157 HA ASN 19 HA ASN 19 8.244 -2.281 2.867
158 HB2 ASN 19 HB2 ASN 19 6.251 -3.332 0.947
159 HB3 ASN 19 HB3 ASN 19 7.574 -4.436 1.322
160 HD21 ASN 19 HD21 ASN 19 5.118 -2.359 2.954
161 HD22 ASN 19 HD22 ASN 19 5.003 -3.336 4.336
162 H VAL 20 H VAL 20 8.256 -2.162 -0.725
163 HA VAL 20 HA VAL 20 10.963 -3.355 -0.791
164 HB VAL 20 HB VAL 20 10.619 -3.277 -3.231
165 HG11 VAL 20 HG11 VAL 20 8.813 -4.837 -3.344
166 HG12 VAL 20 HG12 VAL 20 8.041 -4.154 -1.914
167 HG13 VAL 20 HG13 VAL 20 9.548 -5.057 -1.756
168 HG21 VAL 20 HG21 VAL 20 9.419 -1.501 -3.982
169 HG22 VAL 20 HG22 VAL 20 8.574 -1.308 -2.448
170 HG23 VAL 20 HG23 VAL 20 8.004 -2.490 -3.624
171 H THR 21 H THR 21 9.521 -0.143 -0.998
172 HA THR 21 HA THR 21 11.933 1.073 -2.165
173 HB THR 21 HB THR 21 9.386 2.219 -0.981
174 HG1 THR 21 HG1 THR 21 8.739 1.344 -2.799
175 HG21 THR 21 HG21 THR 21 10.182 4.186 -2.534
176 HG22 THR 21 HG22 THR 21 11.776 3.472 -2.293
177 HG23 THR 21 HG23 THR 21 10.844 4.034 -0.906
178 H LEU 22 H LEU 22 10.244 1.316 0.988
179 HA LEU 22 HA LEU 22 12.363 2.845 2.237
180 HB2 LEU 22 HB2 LEU 22 10.141 1.154 3.431
181 HB3 LEU 22 HB3 LEU 22 11.072 2.373 4.296
182 HG LEU 22 HG LEU 22 9.447 2.993 1.814
183 HD11 LEU 22 HD11 LEU 22 7.701 3.816 3.276
184 HD12 LEU 22 HD12 LEU 22 8.669 3.459 4.706
185 HD13 LEU 22 HD13 LEU 22 8.037 2.142 3.718
186 HD21 LEU 22 HD21 LEU 22 11.195 4.616 2.282
187 HD22 LEU 22 HD22 LEU 22 10.734 4.683 3.983
188 HD23 LEU 22 HD23 LEU 22 9.648 5.321 2.750
189 H ARG 23 H ARG 23 11.278 -0.487 2.936
190 HA ARG 23 HA ARG 23 12.467 -2.349 3.776
191 HB2 ARG 23 HB2 ARG 23 13.940 -1.081 1.547
192 HB3 ARG 23 HB3 ARG 23 14.891 -2.201 2.516
193 HG2 ARG 23 HG2 ARG 23 12.545 -3.595 2.211
194 HG3 ARG 23 HG3 ARG 23 12.660 -2.744 0.671
195 HD2 ARG 23 HD2 ARG 23 14.828 -4.492 1.894
196 HD3 ARG 23 HD3 ARG 23 13.825 -4.900 0.490
197 HE ARG 23 HE ARG 23 15.707 -2.563 0.533
198 HH11 ARG 23 HH11 ARG 23 13.591 -2.732 -1.634
199 HH12 ARG 23 HH12 ARG 23 14.472 -3.496 -2.916
200 HH21 ARG 23 HH21 ARG 23 17.049 -4.583 -0.843
201 HH22 ARG 23 HH22 ARG 23 16.446 -4.547 -2.468
202 HA PRO 24 HA PRO 24 14.969 0.182 6.752
203 HB2 PRO 24 HB2 PRO 24 13.556 -0.468 9.003
204 HB3 PRO 24 HB3 PRO 24 13.120 0.891 7.950
205 HG2 PRO 24 HG2 PRO 24 11.889 -1.793 8.177
206 HG3 PRO 24 HG3 PRO 24 11.143 -0.233 7.805
207 HD2 PRO 24 HD2 PRO 24 11.759 -2.201 5.951
208 HD3 PRO 24 HD3 PRO 24 11.461 -0.490 5.576
209 H GLU 25 H GLU 25 15.875 -2.199 5.707
210 HA GLU 25 HA GLU 25 17.165 -3.495 7.970
211 HB2 GLU 25 HB2 GLU 25 14.595 -4.407 7.142
212 HB3 GLU 25 HB3 GLU 25 15.763 -5.618 6.611
213 HG2 GLU 25 HG2 GLU 25 15.743 -4.485 9.419
214 HG3 GLU 25 HG3 GLU 25 14.853 -5.940 8.968
215 H ARG 26 H ARG 26 16.142 -4.162 4.586
216 HA ARG 26 HA ARG 26 19.018 -4.490 3.845
217 HB2 ARG 26 HB2 ARG 26 18.324 -6.566 2.595
218 HB3 ARG 26 HB3 ARG 26 18.155 -6.710 4.343
219 HG2 ARG 26 HG2 ARG 26 15.885 -6.859 4.239
220 HG3 ARG 26 HG3 ARG 26 15.769 -5.642 2.968
221 HD2 ARG 26 HD2 ARG 26 16.862 -7.541 1.473
222 HD3 ARG 26 HD3 ARG 26 16.171 -8.606 2.714
223 HE ARG 26 HE ARG 26 14.643 -6.991 0.809
224 HH11 ARG 26 HH11 ARG 26 13.764 -9.690 1.685
225 HH12 ARG 26 HH12 ARG 26 12.469 -9.333 2.778
226 HH21 ARG 26 HH21 ARG 26 13.380 -6.003 3.186
227 HH22 ARG 26 HH22 ARG 26 12.252 -7.238 3.633
Start of MODEL 34
1 HA ARG 1 HA ARG 1 -18.768 -0.191 -4.206
2 HB2 ARG 1 HB2 ARG 1 -19.731 2.153 -5.022
3 HB3 ARG 1 HB3 ARG 1 -19.868 2.446 -3.288
4 HG2 ARG 1 HG2 ARG 1 -17.561 2.311 -2.945
5 HG3 ARG 1 HG3 ARG 1 -17.300 1.353 -4.404
6 HD2 ARG 1 HD2 ARG 1 -17.743 3.297 -5.819
7 HD3 ARG 1 HD3 ARG 1 -18.145 4.275 -4.394
8 HE ARG 1 HE ARG 1 -15.425 3.159 -4.962
9 HH11 ARG 1 HH11 ARG 1 -15.703 6.058 -5.249
10 HH12 ARG 1 HH12 ARG 1 -15.277 6.663 -3.682
11 HH21 ARG 1 HH21 ARG 1 -15.698 3.597 -2.098
12 HH22 ARG 1 HH22 ARG 1 -15.281 5.265 -1.890
13 H SER 2 H SER 2 -18.088 -0.946 -2.226
14 HA SER 2 HA SER 2 -20.015 -0.893 0.047
15 HB2 SER 2 HB2 SER 2 -18.744 -2.941 -1.012
16 HB3 SER 2 HB3 SER 2 -17.395 -2.369 -0.032
17 HG SER 2 HG SER 2 -18.601 -2.670 1.789
18 H ALA 3 H ALA 3 -17.434 0.968 -1.010
19 HA ALA 3 HA ALA 3 -16.037 2.541 0.044
20 HB1 ALA 3 HB1 ALA 3 -16.995 3.570 1.962
21 HB2 ALA 3 HB2 ALA 3 -17.766 2.070 2.477
22 HB3 ALA 3 HB3 ALA 3 -18.372 2.932 1.063
23 H LEU 4 H LEU 4 -15.882 -0.635 0.736
24 HA LEU 4 HA LEU 4 -13.697 -0.261 2.746
25 HB2 LEU 4 HB2 LEU 4 -16.032 -2.162 2.666
26 HB3 LEU 4 HB3 LEU 4 -14.564 -2.595 3.543
27 HG LEU 4 HG LEU 4 -15.812 0.099 4.005
28 HD11 LEU 4 HD11 LEU 4 -17.152 -0.915 5.844
29 HD12 LEU 4 HD12 LEU 4 -16.694 -2.516 5.265
30 HD13 LEU 4 HD13 LEU 4 -17.679 -1.459 4.252
31 HD21 LEU 4 HD21 LEU 4 -14.790 -0.207 6.214
32 HD22 LEU 4 HD22 LEU 4 -13.586 -0.494 4.958
33 HD23 LEU 4 HD23 LEU 4 -14.330 -1.857 5.794
34 H VAL 5 H VAL 5 -14.346 -1.173 -0.368
35 HA VAL 5 HA VAL 5 -12.506 -3.517 -0.403
36 HB VAL 5 HB VAL 5 -14.145 -2.202 -2.603
37 HG11 VAL 5 HG11 VAL 5 -12.886 -4.958 -2.405
38 HG12 VAL 5 HG12 VAL 5 -12.274 -3.627 -3.389
39 HG13 VAL 5 HG13 VAL 5 -13.839 -4.352 -3.761
40 HG21 VAL 5 HG21 VAL 5 -15.706 -2.968 -0.957
41 HG22 VAL 5 HG22 VAL 5 -14.782 -4.443 -0.666
42 HG23 VAL 5 HG23 VAL 5 -15.651 -4.233 -2.185
43 H ASN 6 H ASN 6 -12.936 -0.397 -2.120
44 HA ASN 6 HA ASN 6 -10.397 -0.363 -3.439
45 HB2 ASN 6 HB2 ASN 6 -12.679 1.393 -2.918
46 HB3 ASN 6 HB3 ASN 6 -11.160 2.288 -2.952
47 HD21 ASN 6 HD21 ASN 6 -11.280 3.235 -5.044
48 HD22 ASN 6 HD22 ASN 6 -11.408 2.329 -6.473
49 H SER 7 H SER 7 -11.415 0.974 -0.268
50 HA SER 7 HA SER 7 -9.016 2.341 0.409
51 HB2 SER 7 HB2 SER 7 -9.845 1.760 2.790
52 HB3 SER 7 HB3 SER 7 -10.957 2.646 1.753
53 HG SER 7 HG SER 7 -12.098 0.957 2.594
54 H TYR 8 H TYR 8 -9.979 -1.029 1.171
55 HA TYR 8 HA TYR 8 -7.509 -1.821 2.396
56 HB2 TYR 8 HB2 TYR 8 -9.328 -3.231 2.794
57 HB3 TYR 8 HB3 TYR 8 -9.907 -3.119 1.134
58 HD1 TYR 8 HD1 TYR 8 -6.706 -4.194 2.797
59 HD2 TYR 8 HD2 TYR 8 -9.808 -5.126 -0.023
60 HE1 TYR 8 HE2 TYR 8 -5.572 -6.332 2.259
61 HE2 TYR 8 HE1 TYR 8 -8.674 -7.265 -0.562
62 HH TYR 8 HH TYR 8 -6.014 -8.037 -0.354
63 H LEU 9 H LEU 9 -8.697 -2.097 -0.963
64 HA LEU 9 HA LEU 9 -6.430 -3.436 -2.083
65 HB2 LEU 9 HB2 LEU 9 -8.832 -1.956 -2.933
66 HB3 LEU 9 HB3 LEU 9 -7.510 -1.861 -4.091
67 HG LEU 9 HG LEU 9 -7.403 -4.237 -4.317
68 HD11 LEU 9 HD11 LEU 9 -9.154 -4.264 -1.852
69 HD12 LEU 9 HD12 LEU 9 -7.568 -5.007 -2.067
70 HD13 LEU 9 HD13 LEU 9 -8.976 -5.678 -2.891
71 HD21 LEU 9 HD21 LEU 9 -9.736 -4.829 -4.935
72 HD22 LEU 9 HD22 LEU 9 -9.290 -3.221 -5.509
73 HD23 LEU 9 HD23 LEU 9 -10.307 -3.396 -4.079
74 H TRP 10 H TRP 10 -7.206 0.055 -1.854
75 HA TRP 10 HA TRP 10 -4.880 1.043 -3.194
76 HB2 TRP 10 HB2 TRP 10 -6.644 2.563 -2.878
77 HB3 TRP 10 HB3 TRP 10 -6.891 2.076 -1.203
78 HD1 TRP 10 HD1 TRP 10 -4.392 4.046 -3.377
79 HE1 TRP 10 HE1 TRP 10 -3.185 5.758 -1.872
80 HE3 TRP 10 HE3 TRP 10 -6.313 2.738 1.168
81 HZ2 TRP 10 HZ2 TRP 10 -3.057 6.479 0.893
82 HZ3 TRP 10 HZ3 TRP 10 -5.634 3.950 3.218
83 HH2 TRP 10 HH2 TRP 10 -4.009 5.818 3.087
84 H GLN 11 H GLN 11 -5.514 0.583 0.316
85 HA GLN 11 HA GLN 11 -3.017 1.449 1.322
86 HB2 GLN 11 HB2 GLN 11 -5.132 0.813 2.565
87 HB3 GLN 11 HB3 GLN 11 -4.693 -0.877 2.319
88 HG2 GLN 11 HG2 GLN 11 -3.843 -0.344 4.472
89 HG3 GLN 11 HG3 GLN 11 -2.438 -0.277 3.409
90 HE21 GLN 11 HE21 GLN 11 -1.220 1.619 3.575
91 HE22 GLN 11 HE22 GLN 11 -1.800 3.098 4.173
92 H ARG 12 H ARG 12 -3.936 -1.699 -0.064
93 HA ARG 12 HA ARG 12 -1.490 -3.086 0.608
94 HB2 ARG 12 HB2 ARG 12 -3.984 -3.680 -0.445
95 HB3 ARG 12 HB3 ARG 12 -2.915 -3.926 -1.826
96 HG2 ARG 12 HG2 ARG 12 -3.020 -6.020 -0.656
97 HG3 ARG 12 HG3 ARG 12 -1.441 -5.321 -0.301
98 HD2 ARG 12 HD2 ARG 12 -3.179 -4.282 1.673
99 HD3 ARG 12 HD3 ARG 12 -3.558 -6.012 1.551
100 HE ARG 12 HE ARG 12 -0.738 -5.031 1.841
101 HH11 ARG 12 HH11 ARG 12 -1.708 -7.966 1.355
102 HH12 ARG 12 HH12 ARG 12 -1.507 -8.612 2.949
103 HH21 ARG 12 HH21 ARG 12 -1.183 -5.493 4.453
104 HH22 ARG 12 HH22 ARG 12 -1.210 -7.205 4.711
105 H TRP 13 H TRP 13 -2.524 -1.173 -2.222
106 HA TRP 13 HA TRP 13 -0.336 -1.801 -3.950
107 HB2 TRP 13 HB2 TRP 13 -1.611 -0.472 -5.268
108 HB3 TRP 13 HB3 TRP 13 -2.631 -0.132 -3.879
109 HD1 TRP 13 HD1 TRP 13 -2.811 2.314 -3.253
110 HE1 TRP 13 HE1 TRP 13 -1.430 4.446 -3.684
111 HE3 TRP 13 HE3 TRP 13 1.182 0.299 -5.721
112 HZ2 TRP 13 HZ2 TRP 13 1.040 5.198 -4.912
113 HZ3 TRP 13 HZ3 TRP 13 3.030 1.746 -6.511
114 HH2 TRP 13 HH2 TRP 13 2.966 4.191 -6.109
115 H GLU 14 H GLU 14 -0.720 0.819 -1.539
116 HA GLU 14 HA GLU 14 1.962 1.876 -1.946
117 HB2 GLU 14 HB2 GLU 14 -0.411 2.326 -0.250
118 HB3 GLU 14 HB3 GLU 14 1.118 2.703 0.545
119 HG2 GLU 14 HG2 GLU 14 1.754 4.070 -1.464
120 HG3 GLU 14 HG3 GLU 14 0.132 3.800 -2.100
121 H ASN 15 H ASN 15 0.472 -0.465 0.282
122 HA ASN 15 HA ASN 15 2.506 -0.803 2.198
123 HB2 ASN 15 HB2 ASN 15 0.130 -1.976 1.615
124 HB3 ASN 15 HB3 ASN 15 1.226 -3.247 1.078
125 HD21 ASN 15 HD21 ASN 15 3.329 -2.899 3.014
126 HD22 ASN 15 HD22 ASN 15 2.706 -3.288 4.545
127 H TRP 16 H TRP 16 2.218 -2.393 -1.008
128 HA TRP 16 HA TRP 16 4.697 -3.871 -0.798
129 HB2 TRP 16 HB2 TRP 16 3.190 -4.697 -2.386
130 HB3 TRP 16 HB3 TRP 16 2.734 -3.086 -2.938
131 HD1 TRP 16 HD1 TRP 16 5.687 -5.559 -3.142
132 HE1 TRP 16 HE1 TRP 16 7.007 -5.068 -5.301
133 HE3 TRP 16 HE3 TRP 16 3.194 -1.412 -4.776
134 HZ2 TRP 16 HZ2 TRP 16 7.007 -3.167 -7.437
135 HZ3 TRP 16 HZ3 TRP 16 3.875 -0.281 -6.872
136 HH2 TRP 16 HH2 TRP 16 5.777 -1.152 -8.204
137 H PHE 17 H PHE 17 3.814 -0.802 -2.421
138 HA PHE 17 HA PHE 17 6.323 -0.122 -3.537
139 HB2 PHE 17 HB2 PHE 17 3.982 0.963 -3.714
140 HB3 PHE 17 HB3 PHE 17 4.404 1.824 -2.234
141 HD1 PHE 17 HD1 PHE 17 5.214 1.366 -5.807
142 HD2 PHE 17 HD2 PHE 17 6.118 3.548 -2.218
143 HE1 PHE 17 HE2 PHE 17 6.499 3.020 -7.136
144 HE2 PHE 17 HE1 PHE 17 7.402 5.201 -3.547
145 HZ PHE 17 HZ PHE 17 7.593 4.938 -6.006
146 H TRP 18 H TRP 18 5.045 0.502 -0.261
147 HA TRP 18 HA TRP 18 7.447 1.886 0.657
148 HB2 TRP 18 HB2 TRP 18 5.018 0.697 2.031
149 HB3 TRP 18 HB3 TRP 18 6.237 1.658 2.864
150 HD1 TRP 18 HD1 TRP 18 3.011 2.292 2.026
151 HE1 TRP 18 HE1 TRP 18 2.554 4.635 1.055
152 HE3 TRP 18 HE3 TRP 18 7.751 3.615 0.638
153 HZ2 TRP 18 HZ2 TRP 18 4.003 6.782 -0.149
154 HZ3 TRP 18 HZ3 TRP 18 8.179 5.815 -0.417
155 HH2 TRP 18 HH2 TRP 18 6.313 7.399 -0.811
156 H ASN 19 H ASN 19 6.285 -1.442 0.643
157 HA ASN 19 HA ASN 19 7.987 -2.530 2.677
158 HB2 ASN 19 HB2 ASN 19 5.934 -3.509 1.497
159 HB3 ASN 19 HB3 ASN 19 7.015 -3.911 0.164
160 HD21 ASN 19 HD21 ASN 19 6.037 -4.820 3.402
161 HD22 ASN 19 HD22 ASN 19 7.063 -6.166 3.539
162 H VAL 20 H VAL 20 8.458 -2.224 -0.869
163 HA VAL 20 HA VAL 20 11.116 -3.451 -0.764
164 HB VAL 20 HB VAL 20 11.121 -2.805 -3.187
165 HG11 VAL 20 HG11 VAL 20 9.487 -4.397 -3.814
166 HG12 VAL 20 HG12 VAL 20 8.450 -3.998 -2.444
167 HG13 VAL 20 HG13 VAL 20 9.958 -4.874 -2.183
168 HG21 VAL 20 HG21 VAL 20 9.736 -1.217 -3.993
169 HG22 VAL 20 HG22 VAL 20 9.265 -0.869 -2.329
170 HG23 VAL 20 HG23 VAL 20 8.328 -2.012 -3.291
171 H THR 21 H THR 21 9.923 -0.209 -0.315
172 HA THR 21 HA THR 21 12.563 0.991 -0.970
173 HB THR 21 HB THR 21 11.238 3.113 -0.400
174 HG1 THR 21 HG1 THR 21 8.924 1.611 -0.737
175 HG21 THR 21 HG21 THR 21 9.688 2.674 -2.507
176 HG22 THR 21 HG22 THR 21 10.667 1.213 -2.641
177 HG23 THR 21 HG23 THR 21 11.439 2.799 -2.683
178 H LEU 22 H LEU 22 10.274 1.064 1.777
179 HA LEU 22 HA LEU 22 12.291 2.068 3.630
180 HB2 LEU 22 HB2 LEU 22 9.510 0.912 3.992
181 HB3 LEU 22 HB3 LEU 22 10.428 1.710 5.267
182 HG LEU 22 HG LEU 22 10.122 3.189 2.694
183 HD11 LEU 22 HD11 LEU 22 7.901 3.492 4.652
184 HD12 LEU 22 HD12 LEU 22 7.859 2.057 3.628
185 HD13 LEU 22 HD13 LEU 22 7.886 3.661 2.896
186 HD21 LEU 22 HD21 LEU 22 11.395 4.096 4.619
187 HD22 LEU 22 HD22 LEU 22 9.950 3.976 5.622
188 HD23 LEU 22 HD23 LEU 22 9.985 5.092 4.257
189 H ARG 23 H ARG 23 11.050 -1.106 2.749
190 HA ARG 23 HA ARG 23 11.734 -3.274 3.373
191 HB2 ARG 23 HB2 ARG 23 13.952 -1.695 3.050
192 HB3 ARG 23 HB3 ARG 23 14.189 -2.273 4.698
193 HG2 ARG 23 HG2 ARG 23 15.226 -3.929 3.369
194 HG3 ARG 23 HG3 ARG 23 13.647 -4.618 3.745
195 HD2 ARG 23 HD2 ARG 23 13.716 -4.959 1.434
196 HD3 ARG 23 HD3 ARG 23 12.952 -3.358 1.488
197 HE ARG 23 HE ARG 23 15.561 -2.642 1.475
198 HH11 ARG 23 HH11 ARG 23 14.015 -2.521 -1.083
199 HH12 ARG 23 HH12 ARG 23 14.966 -3.517 -2.136
200 HH21 ARG 23 HH21 ARG 23 16.733 -5.019 0.455
201 HH22 ARG 23 HH22 ARG 23 16.514 -4.936 -1.260
202 HA PRO 24 HA PRO 24 10.257 -2.553 7.670
203 HB2 PRO 24 HB2 PRO 24 8.408 -4.575 7.618
204 HB3 PRO 24 HB3 PRO 24 8.074 -2.936 7.023
205 HG2 PRO 24 HG2 PRO 24 8.767 -5.398 5.499
206 HG3 PRO 24 HG3 PRO 24 7.605 -4.120 5.111
207 HD2 PRO 24 HD2 PRO 24 10.064 -4.289 3.966
208 HD3 PRO 24 HD3 PRO 24 9.210 -2.751 4.213
209 H GLU 25 H GLU 25 10.183 -4.190 9.519
210 HA GLU 25 HA GLU 25 12.366 -6.197 9.161
211 HB2 GLU 25 HB2 GLU 25 11.125 -4.800 11.554
212 HB3 GLU 25 HB3 GLU 25 12.383 -6.028 11.692
213 HG2 GLU 25 HG2 GLU 25 13.860 -4.640 10.245
214 HG3 GLU 25 HG3 GLU 25 12.614 -3.393 10.202
215 H ARG 26 H ARG 26 9.192 -5.906 10.838
216 HA ARG 26 HA ARG 26 9.000 -8.824 11.172
217 HB2 ARG 26 HB2 ARG 26 7.279 -6.418 11.811
218 HB3 ARG 26 HB3 ARG 26 6.705 -8.062 12.088
219 HG2 ARG 26 HG2 ARG 26 7.790 -8.037 14.063
220 HG3 ARG 26 HG3 ARG 26 9.307 -7.990 13.166
221 HD2 ARG 26 HD2 ARG 26 9.378 -6.078 14.606
222 HD3 ARG 26 HD3 ARG 26 8.922 -5.429 13.019
223 HE ARG 26 HE ARG 26 6.558 -5.442 13.783
224 HH11 ARG 26 HH11 ARG 26 7.895 -3.564 15.642
225 HH12 ARG 26 HH12 ARG 26 7.416 -4.156 17.197
226 HH21 ARG 26 HH21 ARG 26 6.428 -7.265 15.994
227 HH22 ARG 26 HH22 ARG 26 6.581 -6.262 17.398
Start of MODEL 35
1 HA ARG 1 HA ARG 1 -18.643 4.560 -1.498
2 HB2 ARG 1 HB2 ARG 1 -20.853 5.501 -0.619
3 HB3 ARG 1 HB3 ARG 1 -20.817 4.215 0.589
4 HG2 ARG 1 HG2 ARG 1 -18.583 5.025 1.339
5 HG3 ARG 1 HG3 ARG 1 -18.703 6.354 0.186
6 HD2 ARG 1 HD2 ARG 1 -21.135 6.335 1.677
7 HD3 ARG 1 HD3 ARG 1 -19.799 6.216 2.839
8 HE ARG 1 HE ARG 1 -20.067 8.372 0.782
9 HH11 ARG 1 HH11 ARG 1 -17.241 7.912 1.521
10 HH12 ARG 1 HH12 ARG 1 -17.024 8.950 2.890
11 HH21 ARG 1 HH21 ARG 1 -20.431 9.330 3.469
12 HH22 ARG 1 HH22 ARG 1 -18.838 9.756 3.998
13 H SER 2 H SER 2 -17.397 2.528 -1.695
14 HA SER 2 HA SER 2 -17.784 0.384 0.266
15 HB2 SER 2 HB2 SER 2 -16.026 1.034 -2.043
16 HB3 SER 2 HB3 SER 2 -15.361 -0.076 -0.849
17 HG SER 2 HG SER 2 -16.532 -1.225 -2.397
18 H ALA 3 H ALA 3 -16.586 0.052 2.144
19 HA ALA 3 HA ALA 3 -14.747 2.274 2.964
20 HB1 ALA 3 HB1 ALA 3 -15.439 1.679 5.233
21 HB2 ALA 3 HB2 ALA 3 -16.313 0.273 4.625
22 HB3 ALA 3 HB3 ALA 3 -16.871 1.899 4.228
23 H LEU 4 H LEU 4 -15.110 -1.284 2.922
24 HA LEU 4 HA LEU 4 -12.235 -1.529 3.734
25 HB2 LEU 4 HB2 LEU 4 -14.742 -3.080 4.166
26 HB3 LEU 4 HB3 LEU 4 -13.254 -4.013 4.009
27 HG LEU 4 HG LEU 4 -12.334 -2.174 5.698
28 HD11 LEU 4 HD11 LEU 4 -15.329 -2.225 6.166
29 HD12 LEU 4 HD12 LEU 4 -14.333 -0.815 5.803
30 HD13 LEU 4 HD13 LEU 4 -14.163 -1.639 7.352
31 HD21 LEU 4 HD21 LEU 4 -12.350 -4.560 6.174
32 HD22 LEU 4 HD22 LEU 4 -14.093 -4.534 6.435
33 HD23 LEU 4 HD23 LEU 4 -13.020 -3.709 7.566
34 H VAL 5 H VAL 5 -13.682 -1.209 0.913
35 HA VAL 5 HA VAL 5 -12.450 -3.611 -0.390
36 HB VAL 5 HB VAL 5 -14.569 -1.616 -1.264
37 HG11 VAL 5 HG11 VAL 5 -14.828 -3.099 -3.250
38 HG12 VAL 5 HG12 VAL 5 -13.406 -4.003 -2.730
39 HG13 VAL 5 HG13 VAL 5 -13.249 -2.312 -3.205
40 HG21 VAL 5 HG21 VAL 5 -16.001 -3.688 -1.243
41 HG22 VAL 5 HG22 VAL 5 -15.407 -3.224 0.352
42 HG23 VAL 5 HG23 VAL 5 -14.647 -4.557 -0.519
43 H ASN 6 H ASN 6 -12.903 -0.087 -0.952
44 HA ASN 6 HA ASN 6 -10.733 0.079 -2.882
45 HB2 ASN 6 HB2 ASN 6 -12.902 1.586 -2.227
46 HB3 ASN 6 HB3 ASN 6 -11.639 2.488 -1.389
47 HD21 ASN 6 HD21 ASN 6 -9.862 3.386 -2.726
48 HD22 ASN 6 HD22 ASN 6 -10.064 3.586 -4.400
49 H SER 7 H SER 7 -11.063 0.888 0.597
50 HA SER 7 HA SER 7 -8.490 2.039 1.014
51 HB2 SER 7 HB2 SER 7 -10.341 0.380 2.754
52 HB3 SER 7 HB3 SER 7 -8.899 1.171 3.382
53 HG SER 7 HG SER 7 -10.885 2.409 3.548
54 H TYR 8 H TYR 8 -9.569 -1.364 1.154
55 HA TYR 8 HA TYR 8 -7.013 -2.504 1.852
56 HB2 TYR 8 HB2 TYR 8 -8.898 -3.845 2.255
57 HB3 TYR 8 HB3 TYR 8 -9.648 -3.422 0.718
58 HD1 TYR 8 HD1 TYR 8 -6.729 -5.261 2.171
59 HD2 TYR 8 HD2 TYR 8 -9.429 -4.841 -1.143
60 HE1 TYR 8 HE2 TYR 8 -5.785 -7.309 1.140
61 HE2 TYR 8 HE1 TYR 8 -8.485 -6.889 -2.173
62 HH TYR 8 HH TYR 8 -7.025 -9.125 -0.812
63 H LEU 9 H LEU 9 -8.640 -1.828 -1.247
64 HA LEU 9 HA LEU 9 -6.684 -3.104 -2.947
65 HB2 LEU 9 HB2 LEU 9 -9.133 -1.573 -3.119
66 HB3 LEU 9 HB3 LEU 9 -7.978 -0.963 -4.297
67 HG LEU 9 HG LEU 9 -9.304 -2.753 -5.300
68 HD11 LEU 9 HD11 LEU 9 -6.779 -2.524 -5.730
69 HD12 LEU 9 HD12 LEU 9 -7.527 -4.057 -6.178
70 HD13 LEU 9 HD13 LEU 9 -6.592 -3.934 -4.688
71 HD21 LEU 9 HD21 LEU 9 -9.676 -4.816 -4.323
72 HD22 LEU 9 HD22 LEU 9 -9.529 -3.828 -2.870
73 HD23 LEU 9 HD23 LEU 9 -8.157 -4.784 -3.428
74 H TRP 10 H TRP 10 -7.109 0.253 -1.805
75 HA TRP 10 HA TRP 10 -4.835 1.296 -3.297
76 HB2 TRP 10 HB2 TRP 10 -6.587 2.805 -2.766
77 HB3 TRP 10 HB3 TRP 10 -6.668 2.256 -1.093
78 HD1 TRP 10 HD1 TRP 10 -3.810 3.696 -3.295
79 HE1 TRP 10 HE1 TRP 10 -2.595 5.515 -1.928
80 HE3 TRP 10 HE3 TRP 10 -6.567 3.561 1.004
81 HZ2 TRP 10 HZ2 TRP 10 -2.773 6.750 0.643
82 HZ3 TRP 10 HZ3 TRP 10 -6.022 5.069 2.894
83 HH2 TRP 10 HH2 TRP 10 -4.130 6.661 2.719
84 H GLN 11 H GLN 11 -5.377 0.352 0.122
85 HA GLN 11 HA GLN 11 -2.874 1.122 1.194
86 HB2 GLN 11 HB2 GLN 11 -4.722 0.388 2.573
87 HB3 GLN 11 HB3 GLN 11 -4.735 -1.198 1.801
88 HG2 GLN 11 HG2 GLN 11 -3.153 -1.970 3.207
89 HG3 GLN 11 HG3 GLN 11 -2.096 -0.604 2.849
90 HE21 GLN 11 HE21 GLN 11 -2.837 1.545 4.010
91 HE22 GLN 11 HE22 GLN 11 -3.384 1.370 5.608
92 H ARG 12 H ARG 12 -3.751 -2.166 0.007
93 HA ARG 12 HA ARG 12 -1.242 -3.406 0.216
94 HB2 ARG 12 HB2 ARG 12 -3.765 -3.830 -1.048
95 HB3 ARG 12 HB3 ARG 12 -2.513 -4.190 -2.237
96 HG2 ARG 12 HG2 ARG 12 -1.540 -5.860 -0.896
97 HG3 ARG 12 HG3 ARG 12 -2.298 -5.249 0.575
98 HD2 ARG 12 HD2 ARG 12 -3.708 -7.045 0.157
99 HD3 ARG 12 HD3 ARG 12 -4.530 -5.822 -0.832
100 HE ARG 12 HE ARG 12 -2.731 -7.951 -1.865
101 HH11 ARG 12 HH11 ARG 12 -5.592 -7.406 -2.770
102 HH12 ARG 12 HH12 ARG 12 -5.321 -6.636 -4.298
103 HH21 ARG 12 HH21 ARG 12 -1.965 -5.979 -3.666
104 HH22 ARG 12 HH22 ARG 12 -3.260 -5.816 -4.803
105 H TRP 13 H TRP 13 -2.421 -1.286 -2.389
106 HA TRP 13 HA TRP 13 -0.347 -1.619 -4.291
107 HB2 TRP 13 HB2 TRP 13 -2.596 0.005 -3.836
108 HB3 TRP 13 HB3 TRP 13 -1.256 1.137 -3.989
109 HD1 TRP 13 HD1 TRP 13 -3.581 0.743 -6.157
110 HE1 TRP 13 HE1 TRP 13 -2.926 0.150 -8.582
111 HE3 TRP 13 HE3 TRP 13 1.099 -1.132 -5.369
112 HZ2 TRP 13 HZ2 TRP 13 -0.705 -0.969 -9.996
113 HZ3 TRP 13 HZ3 TRP 13 2.462 -1.952 -7.268
114 HH2 TRP 13 HH2 TRP 13 1.569 -1.871 -9.578
115 H GLU 14 H GLU 14 -0.608 1.023 -1.888
116 HA GLU 14 HA GLU 14 2.158 1.849 -2.242
117 HB2 GLU 14 HB2 GLU 14 -0.034 2.506 -0.252
118 HB3 GLU 14 HB3 GLU 14 1.504 3.369 -0.340
119 HG2 GLU 14 HG2 GLU 14 0.782 3.451 -2.953
120 HG3 GLU 14 HG3 GLU 14 -0.814 3.440 -2.199
121 H ASN 15 H ASN 15 0.400 -0.092 0.176
122 HA ASN 15 HA ASN 15 2.318 -0.272 2.229
123 HB2 ASN 15 HB2 ASN 15 0.140 -1.248 2.476
124 HB3 ASN 15 HB3 ASN 15 0.353 -2.252 1.044
125 HD21 ASN 15 HD21 ASN 15 2.652 -1.749 3.783
126 HD22 ASN 15 HD22 ASN 15 2.702 -3.385 4.227
127 H TRP 16 H TRP 16 2.045 -2.338 -0.702
128 HA TRP 16 HA TRP 16 4.449 -3.854 -0.181
129 HB2 TRP 16 HB2 TRP 16 2.935 -4.833 -1.690
130 HB3 TRP 16 HB3 TRP 16 2.627 -3.309 -2.520
131 HD1 TRP 16 HD1 TRP 16 5.322 -6.033 -2.191
132 HE1 TRP 16 HE1 TRP 16 6.825 -5.954 -4.283
133 HE3 TRP 16 HE3 TRP 16 3.411 -1.893 -4.499
134 HZ2 TRP 16 HZ2 TRP 16 7.170 -4.356 -6.625
135 HZ3 TRP 16 HZ3 TRP 16 4.349 -1.117 -6.657
136 HH2 TRP 16 HH2 TRP 16 6.225 -2.342 -7.722
137 H PHE 17 H PHE 17 3.763 -1.006 -2.243
138 HA PHE 17 HA PHE 17 6.319 -0.622 -3.381
139 HB2 PHE 17 HB2 PHE 17 4.456 0.651 -4.154
140 HB3 PHE 17 HB3 PHE 17 4.072 1.219 -2.531
141 HD1 PHE 17 HD1 PHE 17 6.960 1.256 -4.940
142 HD2 PHE 17 HD2 PHE 17 4.703 3.385 -1.969
143 HE1 PHE 17 HE1 PHE 17 8.382 3.255 -5.293
144 HE2 PHE 17 HE2 PHE 17 6.124 5.384 -2.325
145 HZ PHE 17 HZ PHE 17 7.964 5.320 -3.985
146 H TRP 18 H TRP 18 5.023 0.846 -0.366
147 HA TRP 18 HA TRP 18 7.489 2.104 0.414
148 HB2 TRP 18 HB2 TRP 18 4.993 1.199 1.879
149 HB3 TRP 18 HB3 TRP 18 6.279 2.101 2.677
150 HD1 TRP 18 HD1 TRP 18 3.110 2.767 1.250
151 HE1 TRP 18 HE1 TRP 18 2.916 5.148 0.278
152 HE3 TRP 18 HE3 TRP 18 8.053 4.020 1.004
153 HZ2 TRP 18 HZ2 TRP 18 4.635 7.300 -0.495
154 HZ3 TRP 18 HZ3 TRP 18 8.748 6.237 0.148
155 HH2 TRP 18 HH2 TRP 18 7.046 7.879 -0.600
156 H ASN 19 H ASN 19 6.061 -1.079 1.176
157 HA ASN 19 HA ASN 19 8.042 -1.906 3.093
158 HB2 ASN 19 HB2 ASN 19 5.690 -2.818 2.522
159 HB3 ASN 19 HB3 ASN 19 6.492 -3.712 1.232
160 HD21 ASN 19 HD21 ASN 19 7.062 -5.791 1.880
161 HD22 ASN 19 HD22 ASN 19 7.500 -6.235 3.458
162 H VAL 20 H VAL 20 7.985 -2.005 -0.453
163 HA VAL 20 HA VAL 20 10.485 -3.634 -0.476
164 HB VAL 20 HB VAL 20 8.354 -4.117 -1.839
165 HG11 VAL 20 HG11 VAL 20 9.452 -2.093 -3.775
166 HG12 VAL 20 HG12 VAL 20 8.290 -1.595 -2.547
167 HG13 VAL 20 HG13 VAL 20 7.851 -2.830 -3.725
168 HG21 VAL 20 HG21 VAL 20 10.606 -5.121 -2.270
169 HG22 VAL 20 HG22 VAL 20 10.945 -3.795 -3.382
170 HG23 VAL 20 HG23 VAL 20 9.643 -4.930 -3.735
171 H THR 21 H THR 21 9.578 -0.338 -0.592
172 HA THR 21 HA THR 21 11.990 0.385 -2.209
173 HB THR 21 HB THR 21 9.534 1.978 -1.410
174 HG1 THR 21 HG1 THR 21 8.814 0.681 -2.933
175 HG21 THR 21 HG21 THR 21 11.885 2.616 -3.208
176 HG22 THR 21 HG22 THR 21 11.378 3.487 -1.760
177 HG23 THR 21 HG23 THR 21 10.379 3.534 -3.212
178 H LEU 22 H LEU 22 10.466 0.807 0.955
179 HA LEU 22 HA LEU 22 12.327 2.843 1.884
180 HB2 LEU 22 HB2 LEU 22 10.371 0.968 3.237
181 HB3 LEU 22 HB3 LEU 22 11.285 2.194 4.114
182 HG LEU 22 HG LEU 22 9.526 2.831 1.730
183 HD11 LEU 22 HD11 LEU 22 8.093 1.941 3.475
184 HD12 LEU 22 HD12 LEU 22 7.922 3.696 3.461
185 HD13 LEU 22 HD13 LEU 22 8.908 2.916 4.698
186 HD21 LEU 22 HD21 LEU 22 10.906 4.474 3.871
187 HD22 LEU 22 HD22 LEU 22 9.658 5.131 2.814
188 HD23 LEU 22 HD23 LEU 22 11.171 4.541 2.129
189 H ARG 23 H ARG 23 12.168 -0.690 2.111
190 HA ARG 23 HA ARG 23 14.214 -1.121 4.038
191 HB2 ARG 23 HB2 ARG 23 12.564 -2.621 2.324
192 HB3 ARG 23 HB3 ARG 23 14.210 -3.087 1.891
193 HG2 ARG 23 HG2 ARG 23 14.231 -2.980 4.688
194 HG3 ARG 23 HG3 ARG 23 12.687 -3.733 4.287
195 HD2 ARG 23 HD2 ARG 23 13.817 -5.673 3.953
196 HD3 ARG 23 HD3 ARG 23 14.587 -4.912 2.546
197 HE ARG 23 HE ARG 23 15.711 -4.875 5.319
198 HH11 ARG 23 HH11 ARG 23 17.131 -6.473 3.288
199 HH12 ARG 23 HH12 ARG 23 18.327 -5.374 2.687
200 HH21 ARG 23 HH21 ARG 23 16.743 -2.550 3.956
201 HH22 ARG 23 HH22 ARG 23 18.105 -3.143 3.066
202 HA PRO 24 HA PRO 24 17.420 -1.246 0.494
203 HB2 PRO 24 HB2 PRO 24 16.653 -0.495 -2.024
204 HB3 PRO 24 HB3 PRO 24 16.533 -2.165 -1.435
205 HG2 PRO 24 HG2 PRO 24 14.417 -0.099 -1.713
206 HG3 PRO 24 HG3 PRO 24 14.335 -1.846 -1.982
207 HD2 PRO 24 HD2 PRO 24 13.390 -0.585 0.261
208 HD3 PRO 24 HD3 PRO 24 13.889 -2.287 0.207
209 H GLU 25 H GLU 25 18.287 0.627 -1.272
210 HA GLU 25 HA GLU 25 18.948 2.876 -1.495
211 HB2 GLU 25 HB2 GLU 25 16.197 2.742 -1.526
212 HB3 GLU 25 HB3 GLU 25 16.483 3.915 -0.241
213 HG2 GLU 25 HG2 GLU 25 18.280 4.700 -2.199
214 HG3 GLU 25 HG3 GLU 25 16.877 4.185 -3.137
215 H ARG 26 H ARG 26 18.280 5.087 0.236
216 HA ARG 26 HA ARG 26 19.726 4.244 2.720
217 HB2 ARG 26 HB2 ARG 26 20.493 6.590 2.747
218 HB3 ARG 26 HB3 ARG 26 20.844 5.846 1.189
219 HG2 ARG 26 HG2 ARG 26 19.427 7.227 0.073
220 HG3 ARG 26 HG3 ARG 26 18.190 7.122 1.325
221 HD2 ARG 26 HD2 ARG 26 20.734 8.716 1.748
222 HD3 ARG 26 HD3 ARG 26 19.284 9.431 1.015
223 HE ARG 26 HE ARG 26 18.974 7.977 3.596
224 HH11 ARG 26 HH11 ARG 26 20.288 10.857 3.384
225 HH12 ARG 26 HH12 ARG 26 18.929 11.814 3.873
226 HH21 ARG 26 HH21 ARG 26 16.646 9.214 3.532
227 HH22 ARG 26 HH22 ARG 26 16.859 10.879 3.956
Start of MODEL 36
1 HA ARG 1 HA ARG 1 -13.605 -2.087 -5.293
2 HB2 ARG 1 HB2 ARG 1 -14.117 -1.508 -7.849
3 HB3 ARG 1 HB3 ARG 1 -15.547 -0.753 -7.146
4 HG2 ARG 1 HG2 ARG 1 -14.040 0.493 -5.570
5 HG3 ARG 1 HG3 ARG 1 -12.657 -0.166 -6.444
6 HD2 ARG 1 HD2 ARG 1 -13.819 0.822 -8.569
7 HD3 ARG 1 HD3 ARG 1 -14.720 1.814 -7.407
8 HE ARG 1 HE ARG 1 -12.507 2.595 -6.525
9 HH11 ARG 1 HH11 ARG 1 -12.812 3.481 -9.419
10 HH12 ARG 1 HH12 ARG 1 -11.265 3.059 -10.070
11 HH21 ARG 1 HH21 ARG 1 -10.426 0.970 -7.420
12 HH22 ARG 1 HH22 ARG 1 -9.908 1.632 -8.935
13 H SER 2 H SER 2 -14.509 -1.205 -3.451
14 HA SER 2 HA SER 2 -17.366 -0.654 -3.178
15 HB2 SER 2 HB2 SER 2 -16.644 -3.277 -2.892
16 HB3 SER 2 HB3 SER 2 -16.473 -2.709 -1.233
17 HG SER 2 HG SER 2 -18.731 -2.975 -2.825
18 H ALA 3 H ALA 3 -17.725 -0.393 -0.560
19 HA ALA 3 HA ALA 3 -16.107 1.801 0.281
20 HB1 ALA 3 HB1 ALA 3 -17.829 -0.134 1.866
21 HB2 ALA 3 HB2 ALA 3 -18.402 1.317 1.042
22 HB3 ALA 3 HB3 ALA 3 -17.314 1.459 2.422
23 H LEU 4 H LEU 4 -16.015 -1.642 1.303
24 HA LEU 4 HA LEU 4 -13.429 -1.098 2.709
25 HB2 LEU 4 HB2 LEU 4 -15.716 -2.999 2.994
26 HB3 LEU 4 HB3 LEU 4 -14.124 -3.567 3.497
27 HG LEU 4 HG LEU 4 -14.793 -0.840 4.411
28 HD11 LEU 4 HD11 LEU 4 -17.005 -1.881 4.633
29 HD12 LEU 4 HD12 LEU 4 -16.275 -1.668 6.224
30 HD13 LEU 4 HD13 LEU 4 -16.288 -3.260 5.466
31 HD21 LEU 4 HD21 LEU 4 -13.795 -1.710 6.484
32 HD22 LEU 4 HD22 LEU 4 -12.775 -2.114 5.104
33 HD23 LEU 4 HD23 LEU 4 -13.813 -3.344 5.822
34 H VAL 5 H VAL 5 -14.243 -1.947 -0.324
35 HA VAL 5 HA VAL 5 -12.355 -4.251 -0.545
36 HB VAL 5 HB VAL 5 -14.427 -3.032 -2.399
37 HG11 VAL 5 HG11 VAL 5 -13.957 -5.087 -3.801
38 HG12 VAL 5 HG12 VAL 5 -12.523 -5.356 -2.811
39 HG13 VAL 5 HG13 VAL 5 -12.656 -3.898 -3.794
40 HG21 VAL 5 HG21 VAL 5 -15.573 -5.200 -2.029
41 HG22 VAL 5 HG22 VAL 5 -15.334 -4.332 -0.512
42 HG23 VAL 5 HG23 VAL 5 -14.282 -5.685 -0.929
43 H ASN 6 H ASN 6 -12.952 -0.974 -1.873
44 HA ASN 6 HA ASN 6 -10.460 -1.037 -3.448
45 HB2 ASN 6 HB2 ASN 6 -12.644 0.102 -4.085
46 HB3 ASN 6 HB3 ASN 6 -12.305 1.288 -2.823
47 HD21 ASN 6 HD21 ASN 6 -10.851 2.977 -3.340
48 HD22 ASN 6 HD22 ASN 6 -9.962 3.053 -4.783
49 H SER 7 H SER 7 -11.619 0.401 -0.396
50 HA SER 7 HA SER 7 -9.460 2.181 0.128
51 HB2 SER 7 HB2 SER 7 -11.764 1.427 1.367
52 HB3 SER 7 HB3 SER 7 -10.587 0.604 2.386
53 HG SER 7 HG SER 7 -10.976 3.335 1.904
54 H TYR 8 H TYR 8 -9.850 -1.246 1.129
55 HA TYR 8 HA TYR 8 -7.243 -1.531 2.303
56 HB2 TYR 8 HB2 TYR 8 -8.871 -3.153 2.858
57 HB3 TYR 8 HB3 TYR 8 -9.369 -3.359 1.179
58 HD1 TYR 8 HD1 TYR 8 -6.368 -3.798 3.393
59 HD2 TYR 8 HD2 TYR 8 -8.551 -5.180 -0.041
60 HE1 TYR 8 HE1 TYR 8 -4.785 -5.689 3.147
61 HE2 TYR 8 HE2 TYR 8 -6.967 -7.073 -0.284
62 HH TYR 8 HH TYR 8 -4.397 -7.420 0.464
63 H LEU 9 H LEU 9 -8.487 -2.105 -0.994
64 HA LEU 9 HA LEU 9 -6.176 -3.274 -2.163
65 HB2 LEU 9 HB2 LEU 9 -8.624 -1.832 -3.001
66 HB3 LEU 9 HB3 LEU 9 -7.310 -1.790 -4.174
67 HG LEU 9 HG LEU 9 -8.409 -4.306 -2.886
68 HD11 LEU 9 HD11 LEU 9 -8.762 -3.176 -5.679
69 HD12 LEU 9 HD12 LEU 9 -10.019 -3.312 -4.449
70 HD13 LEU 9 HD13 LEU 9 -9.311 -4.767 -5.152
71 HD21 LEU 9 HD21 LEU 9 -7.051 -5.245 -4.940
72 HD22 LEU 9 HD22 LEU 9 -6.203 -4.834 -3.450
73 HD23 LEU 9 HD23 LEU 9 -6.180 -3.717 -4.816
74 H TRP 10 H TRP 10 -7.060 0.168 -1.758
75 HA TRP 10 HA TRP 10 -4.791 1.267 -3.148
76 HB2 TRP 10 HB2 TRP 10 -6.702 2.641 -2.743
77 HB3 TRP 10 HB3 TRP 10 -6.715 2.246 -1.024
78 HD1 TRP 10 HD1 TRP 10 -4.376 4.001 -3.561
79 HE1 TRP 10 HE1 TRP 10 -3.166 5.924 -2.340
80 HE3 TRP 10 HE3 TRP 10 -6.198 3.328 1.157
81 HZ2 TRP 10 HZ2 TRP 10 -2.998 7.030 0.293
82 HZ3 TRP 10 HZ3 TRP 10 -5.499 4.825 3.003
83 HH2 TRP 10 HH2 TRP 10 -3.902 6.674 2.577
84 H GLN 11 H GLN 11 -5.379 0.600 0.329
85 HA GLN 11 HA GLN 11 -2.884 1.566 1.319
86 HB2 GLN 11 HB2 GLN 11 -4.884 -0.521 2.214
87 HB3 GLN 11 HB3 GLN 11 -3.458 -0.139 3.181
88 HG2 GLN 11 HG2 GLN 11 -4.166 2.303 3.049
89 HG3 GLN 11 HG3 GLN 11 -5.691 1.736 2.370
90 HE21 GLN 11 HE21 GLN 11 -6.986 0.201 3.776
91 HE22 GLN 11 HE22 GLN 11 -6.828 0.313 5.463
92 H ARG 12 H ARG 12 -3.794 -1.584 -0.063
93 HA ARG 12 HA ARG 12 -1.362 -2.986 0.589
94 HB2 ARG 12 HB2 ARG 12 -3.825 -3.364 -0.881
95 HB3 ARG 12 HB3 ARG 12 -2.470 -3.973 -1.830
96 HG2 ARG 12 HG2 ARG 12 -2.755 -4.649 1.098
97 HG3 ARG 12 HG3 ARG 12 -3.570 -5.599 -0.145
98 HD2 ARG 12 HD2 ARG 12 -1.625 -6.583 -0.828
99 HD3 ARG 12 HD3 ARG 12 -0.712 -5.067 -0.703
100 HE ARG 12 HE ARG 12 -0.432 -5.474 1.680
101 HH11 ARG 12 HH11 ARG 12 0.485 -8.095 0.625
102 HH12 ARG 12 HH12 ARG 12 -0.448 -9.226 1.547
103 HH21 ARG 12 HH21 ARG 12 -2.769 -6.860 2.593
104 HH22 ARG 12 HH22 ARG 12 -2.295 -8.523 2.667
105 H TRP 13 H TRP 13 -2.370 -1.058 -2.248
106 HA TRP 13 HA TRP 13 -0.115 -1.570 -3.914
107 HB2 TRP 13 HB2 TRP 13 -1.482 -0.313 -5.208
108 HB3 TRP 13 HB3 TRP 13 -2.435 0.126 -3.798
109 HD1 TRP 13 HD1 TRP 13 -2.539 2.606 -3.353
110 HE1 TRP 13 HE1 TRP 13 -1.074 4.658 -3.895
111 HE3 TRP 13 HE3 TRP 13 1.382 0.305 -5.676
112 HZ2 TRP 13 HZ2 TRP 13 1.431 5.244 -5.146
113 HZ3 TRP 13 HZ3 TRP 13 3.290 1.631 -6.534
114 HH2 TRP 13 HH2 TRP 13 3.320 4.096 -6.270
115 H GLU 14 H GLU 14 -0.633 1.004 -1.466
116 HA GLU 14 HA GLU 14 2.044 2.113 -1.788
117 HB2 GLU 14 HB2 GLU 14 -0.304 2.415 0.062
118 HB3 GLU 14 HB3 GLU 14 1.246 3.114 0.536
119 HG2 GLU 14 HG2 GLU 14 1.197 4.009 -1.977
120 HG3 GLU 14 HG3 GLU 14 -0.542 3.842 -1.744
121 H ASN 15 H ASN 15 0.480 -0.124 0.519
122 HA ASN 15 HA ASN 15 2.582 -0.471 2.379
123 HB2 ASN 15 HB2 ASN 15 0.489 -1.461 2.852
124 HB3 ASN 15 HB3 ASN 15 0.379 -2.208 1.260
125 HD21 ASN 15 HD21 ASN 15 3.205 -2.342 3.498
126 HD22 ASN 15 HD22 ASN 15 3.150 -4.026 3.692
127 H TRP 16 H TRP 16 1.982 -2.239 -0.688
128 HA TRP 16 HA TRP 16 4.304 -3.916 -0.568
129 HB2 TRP 16 HB2 TRP 16 2.643 -4.531 -2.118
130 HB3 TRP 16 HB3 TRP 16 2.439 -2.878 -2.697
131 HD1 TRP 16 HD1 TRP 16 5.035 -5.737 -2.813
132 HE1 TRP 16 HE1 TRP 16 6.394 -5.503 -4.991
133 HE3 TRP 16 HE3 TRP 16 3.061 -1.386 -4.621
134 HZ2 TRP 16 HZ2 TRP 16 6.614 -3.710 -7.206
135 HZ3 TRP 16 HZ3 TRP 16 3.862 -0.440 -6.766
136 HH2 TRP 16 HH2 TRP 16 5.634 -1.595 -8.061
137 H PHE 17 H PHE 17 3.754 -0.756 -2.176
138 HA PHE 17 HA PHE 17 6.343 -0.395 -3.289
139 HB2 PHE 17 HB2 PHE 17 4.142 0.919 -3.575
140 HB3 PHE 17 HB3 PHE 17 4.604 1.784 -2.109
141 HD1 PHE 17 HD1 PHE 17 5.666 0.969 -5.580
142 HD2 PHE 17 HD2 PHE 17 6.296 3.470 -2.143
143 HE1 PHE 17 HE1 PHE 17 7.161 2.429 -6.915
144 HE2 PHE 17 HE2 PHE 17 7.790 4.929 -3.479
145 HZ PHE 17 HZ PHE 17 8.222 4.409 -5.866
146 H TRP 18 H TRP 18 5.075 0.785 -0.136
147 HA TRP 18 HA TRP 18 7.565 1.878 0.790
148 HB2 TRP 18 HB2 TRP 18 5.054 0.876 2.158
149 HB3 TRP 18 HB3 TRP 18 6.360 1.668 3.036
150 HD1 TRP 18 HD1 TRP 18 3.194 2.514 1.699
151 HE1 TRP 18 HE1 TRP 18 3.015 4.986 0.995
152 HE3 TRP 18 HE3 TRP 18 8.153 3.767 1.587
153 HZ2 TRP 18 HZ2 TRP 18 4.742 7.197 0.457
154 HZ3 TRP 18 HZ3 TRP 18 8.850 6.059 0.975
155 HH2 TRP 18 HH2 TRP 18 7.153 7.777 0.412
156 H ASN 19 H ASN 19 6.488 -1.416 0.521
157 HA ASN 19 HA ASN 19 8.350 -2.397 2.608
158 HB2 ASN 19 HB2 ASN 19 6.174 -3.503 0.860
159 HB3 ASN 19 HB3 ASN 19 7.332 -4.617 1.588
160 HD21 ASN 19 HD21 ASN 19 5.980 -5.529 3.221
161 HD22 ASN 19 HD22 ASN 19 5.287 -4.612 4.468
162 H VAL 20 H VAL 20 8.141 -2.166 -0.926
163 HA VAL 20 HA VAL 20 10.658 -3.770 -1.175
164 HB VAL 20 HB VAL 20 9.996 -3.989 -3.526
165 HG11 VAL 20 HG11 VAL 20 8.922 -5.378 -1.615
166 HG12 VAL 20 HG12 VAL 20 8.159 -5.425 -3.204
167 HG13 VAL 20 HG13 VAL 20 7.477 -4.415 -1.928
168 HG21 VAL 20 HG21 VAL 20 7.363 -2.898 -3.497
169 HG22 VAL 20 HG22 VAL 20 8.728 -2.401 -4.496
170 HG23 VAL 20 HG23 VAL 20 8.457 -1.636 -2.930
171 H THR 21 H THR 21 9.814 -0.540 -0.892
172 HA THR 21 HA THR 21 11.947 0.359 -2.794
173 HB THR 21 HB THR 21 9.667 1.853 -1.460
174 HG1 THR 21 HG1 THR 21 8.641 0.833 -2.986
175 HG21 THR 21 HG21 THR 21 11.723 2.676 -3.521
176 HG22 THR 21 HG22 THR 21 11.441 3.401 -1.939
177 HG23 THR 21 HG23 THR 21 10.241 3.583 -3.218
178 H LEU 22 H LEU 22 11.188 0.057 0.567
179 HA LEU 22 HA LEU 22 13.182 2.100 1.377
180 HB2 LEU 22 HB2 LEU 22 11.096 0.401 2.747
181 HB3 LEU 22 HB3 LEU 22 12.307 1.276 3.684
182 HG LEU 22 HG LEU 22 11.575 3.341 2.264
183 HD11 LEU 22 HD11 LEU 22 8.863 2.303 2.143
184 HD12 LEU 22 HD12 LEU 22 9.949 1.399 1.093
185 HD13 LEU 22 HD13 LEU 22 9.793 3.144 0.905
186 HD21 LEU 22 HD21 LEU 22 11.147 3.197 4.650
187 HD22 LEU 22 HD22 LEU 22 9.811 2.076 4.382
188 HD23 LEU 22 HD23 LEU 22 9.674 3.754 3.857
189 H ARG 23 H ARG 23 12.669 -1.402 1.423
190 HA ARG 23 HA ARG 23 15.547 -1.746 2.198
191 HB2 ARG 23 HB2 ARG 23 13.042 -3.150 3.166
192 HB3 ARG 23 HB3 ARG 23 14.652 -3.828 3.412
193 HG2 ARG 23 HG2 ARG 23 14.245 -0.975 4.192
194 HG3 ARG 23 HG3 ARG 23 13.507 -2.204 5.217
195 HD2 ARG 23 HD2 ARG 23 15.827 -3.364 5.178
196 HD3 ARG 23 HD3 ARG 23 16.437 -1.806 4.586
197 HE ARG 23 HE ARG 23 15.686 -0.768 6.659
198 HH11 ARG 23 HH11 ARG 23 17.205 -3.190 7.652
199 HH12 ARG 23 HH12 ARG 23 16.104 -3.840 8.818
200 HH21 ARG 23 HH21 ARG 23 13.381 -2.023 7.648
201 HH22 ARG 23 HH22 ARG 23 13.929 -3.177 8.816
202 HA PRO 24 HA PRO 24 14.381 -4.126 -1.648
203 HB2 PRO 24 HB2 PRO 24 16.006 -2.828 -3.421
204 HB3 PRO 24 HB3 PRO 24 14.354 -2.296 -3.060
205 HG2 PRO 24 HG2 PRO 24 16.937 -1.179 -2.154
206 HG3 PRO 24 HG3 PRO 24 15.398 -0.366 -2.464
207 HD2 PRO 24 HD2 PRO 24 16.411 -1.032 0.043
208 HD3 PRO 24 HD3 PRO 24 14.727 -0.602 -0.319
209 H GLU 25 H GLU 25 15.801 -5.443 0.055
210 HA GLU 25 HA GLU 25 17.676 -6.813 0.482
211 HB2 GLU 25 HB2 GLU 25 17.392 -6.520 -2.490
212 HB3 GLU 25 HB3 GLU 25 18.787 -7.398 -1.864
213 HG2 GLU 25 HG2 GLU 25 17.330 -8.914 -0.626
214 HG3 GLU 25 HG3 GLU 25 15.907 -7.996 -1.122
215 H ARG 26 H ARG 26 18.413 -4.411 1.316
216 HA ARG 26 HA ARG 26 21.026 -3.778 -0.018
217 HB2 ARG 26 HB2 ARG 26 18.922 -2.147 0.271
218 HB3 ARG 26 HB3 ARG 26 19.643 -1.905 1.863
219 HG2 ARG 26 HG2 ARG 26 21.539 -1.830 -0.413
220 HG3 ARG 26 HG3 ARG 26 20.379 -0.502 -0.351
221 HD2 ARG 26 HD2 ARG 26 21.384 0.430 1.471
222 HD3 ARG 26 HD3 ARG 26 21.583 -1.143 2.269
223 HE ARG 26 HE ARG 26 23.322 -0.579 -0.072
224 HH11 ARG 26 HH11 ARG 26 23.529 -2.691 2.236
225 HH12 ARG 26 HH12 ARG 26 24.922 -2.077 3.065
226 HH21 ARG 26 HH21 ARG 26 24.846 1.008 1.462
227 HH22 ARG 26 HH22 ARG 26 25.671 0.025 2.625