Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
613176 | 2ncu RC | 26036 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 2.176 1.019 -1.582
3 HB2 LYS 1 2HB LYS 1 3.787 -0.343 0.021
4 HB3 LYS 1 3HB LYS 1 3.476 -1.631 -1.136
5 HG2 LYS 1 2HG LYS 1 4.730 -0.676 -2.732
6 HG3 LYS 1 3HG LYS 1 4.190 0.955 -2.328
7 HD2 LYS 1 2HD LYS 1 6.117 -0.607 -0.620
8 HD3 LYS 1 3HD LYS 1 6.637 0.466 -1.922
9 HE2 LYS 1 2HE LYS 1 4.716 1.611 -0.000
10 HE3 LYS 1 3HE LYS 1 6.316 1.245 0.643
11 HZ1 LYS 1 3HZ LYS 1 6.735 2.489 -1.785
12 HZ2 LYS 1 1HZ LYS 1 6.996 3.141 -0.245
13 HZ3 LYS 1 2HZ LYS 1 5.517 3.386 -1.028
14 H TYR 2 H TYR 2 -0.392 -0.411 -1.504
15 HA TYR 2 HA TYR 2 -0.051 -2.062 -3.923
16 HB2 TYR 2 2HB TYR 2 -0.946 -3.047 -1.599
17 HB3 TYR 2 3HB TYR 2 -2.468 -2.428 -2.230
18 HD1 TYR 2 HD2 TYR 2 -2.001 -2.941 -5.154
19 HD2 TYR 2 HD1 TYR 2 -1.294 -5.369 -1.732
20 HE1 TYR 2 HE2 TYR 2 -2.249 -4.958 -6.540
21 HE2 TYR 2 HE1 TYR 2 -1.540 -7.392 -3.109
22 HH TYR 2 HH TYR 2 -2.126 -7.174 -6.605
23 H GLU 3 H GLU 3 -0.345 0.723 -4.030
24 HA GLU 3 HA GLU 3 -3.069 0.977 -5.127
25 HB2 GLU 3 2HB GLU 3 -2.783 3.455 -4.684
26 HB3 GLU 3 3HB GLU 3 -2.974 2.437 -3.264
27 HG2 GLU 3 2HG GLU 3 -0.485 2.449 -3.027
28 HG3 GLU 3 3HG GLU 3 -0.434 3.652 -4.314
29 H ILE 4 H ILE 4 0.271 2.161 -5.418
30 HA ILE 4 HA ILE 4 -0.183 2.437 -8.317
31 HB ILE 4 HB ILE 4 0.070 4.629 -7.064
32 HG12 ILE 4 2HG1 ILE 4 2.092 3.957 -9.214
33 HG13 ILE 4 3HG1 ILE 4 0.421 4.440 -9.483
34 HG21 ILE 4 1HG2 ILE 4 2.970 3.837 -6.911
35 HG22 ILE 4 2HG2 ILE 4 2.212 5.299 -6.282
36 HG23 ILE 4 3HG2 ILE 4 1.861 3.736 -5.545
37 HD11 ILE 4 3HD1 ILE 4 1.682 6.358 -9.887
38 HD12 ILE 4 1HD1 ILE 4 1.025 6.591 -8.267
39 HD13 ILE 4 2HD1 ILE 4 2.704 6.093 -8.474
40 H THR 5 H THR 5 1.581 0.972 -5.853
41 HA THR 5 HA THR 5 3.936 0.487 -7.514
42 HB THR 5 HB THR 5 3.317 -0.150 -4.632
43 HG1 THR 5 HG1 THR 5 4.660 1.481 -4.246
44 HG21 THR 5 3HG2 THR 5 5.717 -0.977 -6.266
45 HG22 THR 5 1HG2 THR 5 4.543 -2.044 -5.496
46 HG23 THR 5 2HG2 THR 5 5.623 -1.061 -4.507
47 H THR 6 H THR 6 2.135 -1.677 -5.342
48 HA THR 6 HA THR 6 2.681 -3.959 -6.957
49 HB THR 6 HB THR 6 0.654 -3.689 -4.728
50 HG1 THR 6 HG1 THR 6 3.361 -4.585 -4.630
51 HG21 THR 6 3HG2 THR 6 2.029 -6.137 -5.842
52 HG22 THR 6 1HG2 THR 6 0.358 -5.676 -6.168
53 HG23 THR 6 2HG2 THR 6 0.852 -6.101 -4.529
54 H ILE 7 H ILE 7 0.151 -1.612 -6.881
55 HA ILE 7 HA ILE 7 -1.924 -3.119 -8.056
56 HB ILE 7 HB ILE 7 -1.436 -0.326 -7.436
57 HG12 ILE 7 2HG1 ILE 7 -3.092 -1.806 -6.337
58 HG13 ILE 7 3HG1 ILE 7 -3.828 -0.348 -6.994
59 HG21 ILE 7 1HG2 ILE 7 -1.464 0.027 -9.813
60 HG22 ILE 7 2HG2 ILE 7 -2.915 -0.959 -9.984
61 HG23 ILE 7 3HG2 ILE 7 -2.994 0.587 -9.139
62 HD11 ILE 7 3HD1 ILE 7 -4.874 -2.762 -7.324
63 HD12 ILE 7 1HD1 ILE 7 -5.029 -1.488 -8.533
64 HD13 ILE 7 2HD1 ILE 7 -3.805 -2.742 -8.726
65 H HIS 8 H HIS 8 0.890 -1.556 -9.373
66 HA HIS 8 HA HIS 8 -0.021 -2.236 -12.091
67 HB2 HIS 8 2HB HIS 8 1.152 0.160 -11.026
68 HB3 HIS 8 3HB HIS 8 2.227 -0.525 -12.241
69 HD1 HIS 8 HD1 HIS 8 -1.570 -0.219 -12.157
70 HD2 HIS 8 HD2 HIS 8 1.685 0.794 -14.532
71 HE1 HIS 8 HE1 HIS 8 -2.545 0.851 -14.214
72 H ASN 9 H ASN 9 1.811 -3.419 -9.702
73 HA ASN 9 HA ASN 9 3.947 -4.375 -11.484
74 HB2 ASN 9 2HB ASN 9 5.129 -3.542 -9.710
75 HB3 ASN 9 3HB ASN 9 3.813 -3.806 -8.570
76 HD21 ASN 9 1HD2 ASN 9 4.646 -5.011 -7.012
77 HD22 ASN 9 2HD2 ASN 9 5.502 -6.495 -7.237
78 H LEU 10 H LEU 10 1.430 -5.383 -9.246
79 HA LEU 10 HA LEU 10 1.927 -8.188 -9.976
80 HB2 LEU 10 2HB LEU 10 1.981 -7.884 -7.619
81 HB3 LEU 10 3HB LEU 10 0.495 -6.937 -7.645
82 HG LEU 10 HG LEU 10 -0.808 -8.905 -8.128
83 HD11 LEU 10 1HD1 LEU 10 0.178 -10.486 -9.353
84 HD12 LEU 10 2HD1 LEU 10 0.836 -11.083 -7.830
85 HD13 LEU 10 3HD1 LEU 10 1.794 -10.001 -8.840
86 HD21 LEU 10 3HD2 LEU 10 -0.870 -9.382 -5.961
87 HD22 LEU 10 1HD2 LEU 10 0.623 -8.466 -5.760
88 HD23 LEU 10 2HD2 LEU 10 0.688 -10.205 -6.049
89 H PHE 11 H PHE 11 0.058 -5.646 -10.872
90 HA PHE 11 HA PHE 11 -2.174 -7.401 -11.662
91 HB2 PHE 11 2HB PHE 11 -2.308 -5.080 -10.117
92 HB3 PHE 11 3HB PHE 11 -2.830 -4.574 -11.720
93 HD1 PHE 11 HD2 PHE 11 -3.509 -6.927 -8.961
94 HD2 PHE 11 HD1 PHE 11 -4.938 -5.193 -12.576
95 HE1 PHE 11 HE2 PHE 11 -5.738 -7.874 -8.530
96 HE2 PHE 11 HE1 PHE 11 -7.170 -6.137 -12.150
97 HZ PHE 11 HZ PHE 11 -7.572 -7.480 -10.126
98 H ARG 12 H ARG 12 0.456 -5.710 -12.744
99 HA ARG 12 HA ARG 12 -0.284 -4.350 -15.009
100 HB2 ARG 12 2HB ARG 12 1.951 -5.208 -15.958
101 HB3 ARG 12 3HB ARG 12 1.990 -4.267 -14.472
102 HG2 ARG 12 2HG ARG 12 2.448 -6.132 -13.157
103 HG3 ARG 12 3HG ARG 12 1.905 -7.258 -14.403
104 HD2 ARG 12 2HD ARG 12 4.206 -7.450 -14.535
105 HD3 ARG 12 3HD ARG 12 3.855 -6.265 -15.793
106 HE ARG 12 HE ARG 12 4.354 -4.872 -13.433
107 HH11 ARG 12 1HH1 ARG 12 6.049 -6.938 -15.665
108 HH12 ARG 12 2HH1 ARG 12 7.593 -6.213 -15.366
109 HH21 ARG 12 1HH2 ARG 12 6.383 -3.909 -13.031
110 HH22 ARG 12 2HH2 ARG 12 7.783 -4.491 -13.867
111 H LYS 13 H LYS 13 -0.047 -7.825 -14.542
112 HA LYS 13 HA LYS 13 -0.283 -8.602 -17.238
113 HB2 LYS 13 2HB LYS 13 -1.027 -10.788 -16.312
114 HB3 LYS 13 3HB LYS 13 0.453 -10.187 -15.577
115 HG2 LYS 13 2HG LYS 13 -0.890 -9.354 -13.668
116 HG3 LYS 13 3HG LYS 13 -2.313 -10.108 -14.392
117 HD2 LYS 13 2HD LYS 13 -1.649 -12.202 -13.836
118 HD3 LYS 13 3HD LYS 13 0.062 -11.837 -14.068
119 HE2 LYS 13 2HE LYS 13 0.355 -11.376 -11.903
120 HE3 LYS 13 3HE LYS 13 -1.096 -10.377 -11.838
121 HZ1 LYS 13 3HZ LYS 13 -2.432 -12.255 -11.426
122 HZ2 LYS 13 1HZ LYS 13 -1.098 -12.416 -10.397
123 HZ3 LYS 13 2HZ LYS 13 -1.191 -13.338 -11.813
124 H LEU 14 H LEU 14 -2.709 -7.997 -14.733
125 HA LEU 14 HA LEU 14 -4.911 -8.705 -16.435
126 HB2 LEU 14 2HB LEU 14 -4.811 -7.272 -13.786
127 HB3 LEU 14 3HB LEU 14 -6.294 -7.767 -14.600
128 HG LEU 14 HG LEU 14 -4.166 -9.556 -13.433
129 HD11 LEU 14 1HD1 LEU 14 -6.846 -8.634 -12.596
130 HD12 LEU 14 2HD1 LEU 14 -5.441 -9.076 -11.627
131 HD13 LEU 14 3HD1 LEU 14 -6.466 -10.334 -12.319
132 HD21 LEU 14 3HD2 LEU 14 -6.210 -10.059 -15.476
133 HD22 LEU 14 1HD2 LEU 14 -6.221 -11.193 -14.125
134 HD23 LEU 14 2HD2 LEU 14 -4.752 -10.969 -15.076
135 H THR 15 H THR 15 -3.593 -5.660 -15.161
136 HA THR 15 HA THR 15 -5.389 -3.868 -16.228
137 HB THR 15 HB THR 15 -3.693 -2.180 -16.095
138 HG1 THR 15 HG1 THR 15 -1.918 -4.380 -16.287
139 HG21 THR 15 3HG2 THR 15 -2.463 -3.396 -13.896
140 HG22 THR 15 1HG2 THR 15 -4.061 -4.132 -14.003
141 HG23 THR 15 2HG2 THR 15 -3.904 -2.380 -13.883
142 H HIS 16 H HIS 16 -2.713 -5.505 -17.826
143 HA HIS 16 HA HIS 16 -3.128 -4.046 -20.298
144 HB2 HIS 16 2HB HIS 16 -0.860 -4.834 -19.413
145 HB3 HIS 16 3HB HIS 16 -1.347 -6.449 -19.920
146 HD1 HIS 16 HD1 HIS 16 -0.854 -7.048 -22.281
147 HD2 HIS 16 HD2 HIS 16 -0.798 -2.940 -21.666
148 HE1 HIS 16 HE1 HIS 16 -0.065 -6.054 -24.452
149 H ARG 17 H ARG 17 -4.042 -7.066 -18.860
150 HA ARG 17 HA ARG 17 -5.097 -8.039 -21.419
151 HB2 ARG 17 2HB ARG 17 -4.631 -9.410 -18.771
152 HB3 ARG 17 3HB ARG 17 -5.491 -10.166 -20.106
153 HG2 ARG 17 2HG ARG 17 -3.567 -10.204 -21.460
154 HG3 ARG 17 3HG ARG 17 -2.705 -9.090 -20.397
155 HD2 ARG 17 2HD ARG 17 -1.882 -10.805 -19.255
156 HD3 ARG 17 3HD ARG 17 -3.516 -11.333 -18.857
157 HE ARG 17 HE ARG 17 -2.982 -12.205 -21.438
158 HH11 ARG 17 1HH1 ARG 17 -1.768 -12.732 -18.218
159 HH12 ARG 17 2HH1 ARG 17 -1.258 -14.357 -18.535
160 HH21 ARG 17 1HH2 ARG 17 -2.315 -14.343 -21.868
161 HH22 ARG 17 2HH2 ARG 17 -1.569 -15.272 -20.612
162 H LEU 18 H LEU 18 -6.388 -8.875 -18.271
163 HA LEU 18 HA LEU 18 -8.908 -7.529 -18.990
164 HB2 LEU 18 2HB LEU 18 -10.078 -9.381 -17.828
165 HB3 LEU 18 3HB LEU 18 -9.227 -9.873 -19.291
166 HG LEU 18 HG LEU 18 -7.626 -10.212 -16.878
167 HD11 LEU 18 1HD1 LEU 18 -8.850 -12.016 -15.908
168 HD12 LEU 18 2HD1 LEU 18 -10.094 -11.916 -17.153
169 HD13 LEU 18 3HD1 LEU 18 -9.918 -10.614 -15.977
170 HD21 LEU 18 3HD2 LEU 18 -7.139 -11.114 -19.148
171 HD22 LEU 18 1HD2 LEU 18 -8.529 -12.185 -18.970
172 HD23 LEU 18 2HD2 LEU 18 -7.153 -12.338 -17.877
173 H PHE 19 H PHE 19 -7.989 -5.759 -17.700
174 HA PHE 19 HA PHE 19 -7.256 -5.841 -15.055
175 HB2 PHE 19 2HB PHE 19 -7.323 -3.829 -16.627
176 HB3 PHE 19 3HB PHE 19 -9.016 -3.661 -16.173
177 HD1 PHE 19 HD1 PHE 19 -6.058 -4.556 -14.103
178 HD2 PHE 19 HD2 PHE 19 -9.141 -1.733 -14.904
179 HE1 PHE 19 HE1 PHE 19 -5.392 -3.269 -12.115
180 HE2 PHE 19 HE2 PHE 19 -8.479 -0.441 -12.918
181 HZ PHE 19 HZ PHE 19 -6.602 -1.208 -11.521
182 H ARG 20 H ARG 20 -10.534 -4.875 -16.073
183 HA ARG 20 HA ARG 20 -11.549 -5.947 -13.534
184 HB2 ARG 20 2HB ARG 20 -12.933 -4.073 -15.459
185 HB3 ARG 20 3HB ARG 20 -13.465 -4.503 -13.840
186 HG2 ARG 20 2HG ARG 20 -10.961 -2.972 -14.514
187 HG3 ARG 20 3HG ARG 20 -12.466 -2.281 -13.905
188 HD2 ARG 20 2HD ARG 20 -12.112 -4.033 -11.979
189 HD3 ARG 20 3HD ARG 20 -10.430 -3.947 -12.503
190 HE ARG 20 HE ARG 20 -11.110 -1.350 -12.217
191 HH11 ARG 20 1HH1 ARG 20 -11.394 -4.129 -10.139
192 HH12 ARG 20 2HH1 ARG 20 -11.241 -3.213 -8.676
193 HH21 ARG 20 1HH2 ARG 20 -10.908 -0.133 -10.298
194 HH22 ARG 20 2HH2 ARG 20 -10.965 -0.941 -8.767
195 H ARG 21 H ARG 21 -11.787 -6.236 -16.995
196 HA ARG 21 HA ARG 21 -14.182 -7.586 -17.300
197 HB2 ARG 21 2HB ARG 21 -11.579 -7.996 -18.782
198 HB3 ARG 21 3HB ARG 21 -13.133 -8.631 -19.305
199 HG2 ARG 21 2HG ARG 21 -13.847 -6.635 -20.066
200 HG3 ARG 21 3HG ARG 21 -13.046 -5.736 -18.776
201 HD2 ARG 21 2HD ARG 21 -11.770 -5.091 -20.560
202 HD3 ARG 21 3HD ARG 21 -10.873 -6.517 -20.041
203 HE ARG 21 HE ARG 21 -12.663 -7.472 -21.862
204 HH11 ARG 21 1HH1 ARG 21 -10.219 -4.993 -21.889
205 HH12 ARG 21 2HH1 ARG 21 -9.877 -5.167 -23.579
206 HH21 ARG 21 1HH2 ARG 21 -12.223 -7.709 -24.087
207 HH22 ARG 21 2HH2 ARG 21 -11.018 -6.711 -24.828
Start of MODEL 2
1 H1 LYS 1 H LYS 1 2.503 -2.062 0.550
2 HA LYS 1 HA LYS 1 1.714 0.044 -0.302
3 HB2 LYS 1 2HB LYS 1 4.225 -0.113 -1.980
4 HB3 LYS 1 3HB LYS 1 2.987 1.125 -2.149
5 HG2 LYS 1 2HG LYS 1 3.437 1.572 0.361
6 HG3 LYS 1 3HG LYS 1 4.945 0.702 0.066
7 HD2 LYS 1 2HD LYS 1 5.486 2.273 -1.740
8 HD3 LYS 1 3HD LYS 1 3.987 3.148 -1.421
9 HE2 LYS 1 2HE LYS 1 5.921 2.707 0.806
10 HE3 LYS 1 3HE LYS 1 6.262 3.954 -0.392
11 HZ1 LYS 1 3HZ LYS 1 3.893 4.732 0.099
12 HZ2 LYS 1 1HZ LYS 1 5.085 5.058 1.255
13 HZ3 LYS 1 2HZ LYS 1 4.000 3.784 1.496
14 H TYR 2 H TYR 2 -0.072 -0.633 -1.283
15 HA TYR 2 HA TYR 2 0.205 -2.201 -3.763
16 HB2 TYR 2 2HB TYR 2 -0.900 -3.190 -1.538
17 HB3 TYR 2 3HB TYR 2 -2.314 -2.371 -2.190
18 HD1 TYR 2 HD2 TYR 2 -1.753 -2.790 -5.123
19 HD2 TYR 2 HD1 TYR 2 -1.529 -5.445 -1.806
20 HE1 TYR 2 HE2 TYR 2 -2.166 -4.693 -6.626
21 HE2 TYR 2 HE1 TYR 2 -1.940 -7.356 -3.299
22 HH TYR 2 HH TYR 2 -2.142 -6.941 -6.799
23 H GLU 3 H GLU 3 0.223 0.599 -3.751
24 HA GLU 3 HA GLU 3 -2.402 1.204 -4.945
25 HB2 GLU 3 2HB GLU 3 -0.531 3.200 -3.665
26 HB3 GLU 3 3HB GLU 3 -2.156 3.505 -4.263
27 HG2 GLU 3 2HG GLU 3 -2.377 1.421 -2.393
28 HG3 GLU 3 3HG GLU 3 -1.313 2.631 -1.678
29 H ILE 4 H ILE 4 1.058 2.016 -5.043
30 HA ILE 4 HA ILE 4 0.771 2.465 -7.942
31 HB ILE 4 HB ILE 4 1.207 4.560 -6.577
32 HG12 ILE 4 2HG1 ILE 4 3.240 3.756 -8.670
33 HG13 ILE 4 3HG1 ILE 4 1.646 4.434 -8.986
34 HG21 ILE 4 1HG2 ILE 4 4.063 3.755 -6.428
35 HG22 ILE 4 2HG2 ILE 4 3.152 4.889 -5.431
36 HG23 ILE 4 3HG2 ILE 4 2.962 3.153 -5.189
37 HD11 ILE 4 3HD1 ILE 4 4.129 5.765 -8.412
38 HD12 ILE 4 1HD1 ILE 4 2.607 6.425 -9.009
39 HD13 ILE 4 2HD1 ILE 4 2.872 6.250 -7.274
40 H THR 5 H THR 5 2.248 0.709 -5.480
41 HA THR 5 HA THR 5 4.608 0.032 -7.063
42 HB THR 5 HB THR 5 3.790 -0.654 -4.243
43 HG1 THR 5 HG1 THR 5 5.957 0.416 -3.974
44 HG21 THR 5 3HG2 THR 5 6.157 -1.674 -5.815
45 HG22 THR 5 1HG2 THR 5 4.839 -2.635 -5.146
46 HG23 THR 5 2HG2 THR 5 5.974 -1.823 -4.068
47 H THR 6 H THR 6 2.483 -2.008 -5.073
48 HA THR 6 HA THR 6 2.845 -4.264 -6.771
49 HB THR 6 HB THR 6 0.764 -3.863 -4.614
50 HG1 THR 6 HG1 THR 6 2.872 -3.642 -3.782
51 HG21 THR 6 3HG2 THR 6 1.901 -6.404 -5.784
52 HG22 THR 6 1HG2 THR 6 0.315 -5.738 -6.166
53 HG23 THR 6 2HG2 THR 6 0.670 -6.284 -4.528
54 H ILE 7 H ILE 7 0.585 -1.656 -6.681
55 HA ILE 7 HA ILE 7 -1.585 -2.868 -8.012
56 HB ILE 7 HB ILE 7 -0.825 -0.179 -7.234
57 HG12 ILE 7 2HG1 ILE 7 -2.688 -1.509 -6.287
58 HG13 ILE 7 3HG1 ILE 7 -3.226 0.049 -6.904
59 HG21 ILE 7 1HG2 ILE 7 -0.694 0.282 -9.590
60 HG22 ILE 7 2HG2 ILE 7 -2.237 -0.521 -9.874
61 HG23 ILE 7 3HG2 ILE 7 -2.182 0.984 -8.955
62 HD11 ILE 7 3HD1 ILE 7 -4.457 -0.879 -8.559
63 HD12 ILE 7 1HD1 ILE 7 -3.376 -2.260 -8.745
64 HD13 ILE 7 2HD1 ILE 7 -4.518 -2.208 -7.401
65 H HIS 8 H HIS 8 1.441 -1.576 -9.137
66 HA HIS 8 HA HIS 8 0.585 -2.030 -11.920
67 HB2 HIS 8 2HB HIS 8 1.963 0.172 -10.694
68 HB3 HIS 8 3HB HIS 8 3.010 -0.575 -11.897
69 HD1 HIS 8 HD1 HIS 8 1.094 2.199 -11.834
70 HD2 HIS 8 HD2 HIS 8 0.885 -1.168 -14.259
71 HE1 HIS 8 HE1 HIS 8 -0.129 2.936 -13.904
72 H ASN 9 H ASN 9 2.165 -3.513 -9.518
73 HA ASN 9 HA ASN 9 4.265 -4.621 -11.256
74 HB2 ASN 9 2HB ASN 9 5.447 -4.003 -9.396
75 HB3 ASN 9 3HB ASN 9 4.059 -4.169 -8.326
76 HD21 ASN 9 1HD2 ASN 9 4.683 -5.526 -6.795
77 HD22 ASN 9 2HD2 ASN 9 5.382 -7.085 -7.057
78 H LEU 10 H LEU 10 1.553 -5.441 -9.173
79 HA LEU 10 HA LEU 10 1.774 -8.249 -10.020
80 HB2 LEU 10 2HB LEU 10 1.755 -8.054 -7.649
81 HB3 LEU 10 3HB LEU 10 0.379 -6.953 -7.690
82 HG LEU 10 HG LEU 10 -1.097 -8.750 -8.331
83 HD11 LEU 10 1HD1 LEU 10 0.529 -9.985 -9.721
84 HD12 LEU 10 2HD1 LEU 10 -0.352 -11.024 -8.602
85 HD13 LEU 10 3HD1 LEU 10 1.312 -10.559 -8.249
86 HD21 LEU 10 3HD2 LEU 10 -1.323 -9.262 -6.184
87 HD22 LEU 10 1HD2 LEU 10 0.272 -8.575 -5.879
88 HD23 LEU 10 2HD2 LEU 10 0.107 -10.293 -6.244
89 H PHE 11 H PHE 11 0.236 -5.478 -10.865
90 HA PHE 11 HA PHE 11 -2.138 -6.937 -11.825
91 HB2 PHE 11 2HB PHE 11 -2.077 -4.674 -10.186
92 HB3 PHE 11 3HB PHE 11 -2.479 -4.057 -11.785
93 HD1 PHE 11 HD2 PHE 11 -3.522 -6.378 -9.121
94 HD2 PHE 11 HD1 PHE 11 -4.599 -4.453 -12.761
95 HE1 PHE 11 HE2 PHE 11 -5.855 -7.092 -8.804
96 HE2 PHE 11 HE1 PHE 11 -6.935 -5.162 -12.449
97 HZ PHE 11 HZ PHE 11 -7.565 -6.485 -10.469
98 H ARG 12 H ARG 12 0.711 -5.522 -12.726
99 HA ARG 12 HA ARG 12 0.213 -3.999 -14.961
100 HB2 ARG 12 2HB ARG 12 2.401 -5.026 -15.840
101 HB3 ARG 12 3HB ARG 12 2.455 -4.159 -14.311
102 HG2 ARG 12 2HG ARG 12 2.850 -6.042 -13.095
103 HG3 ARG 12 3HG ARG 12 1.985 -7.086 -14.225
104 HD2 ARG 12 2HD ARG 12 3.794 -7.265 -15.649
105 HD3 ARG 12 3HD ARG 12 4.520 -5.762 -15.082
106 HE ARG 12 HE ARG 12 5.633 -6.961 -13.493
107 HH11 ARG 12 1HH1 ARG 12 2.938 -8.848 -14.631
108 HH12 ARG 12 2HH1 ARG 12 3.380 -10.262 -13.732
109 HH21 ARG 12 1HH2 ARG 12 6.226 -8.816 -12.305
110 HH22 ARG 12 2HH2 ARG 12 5.250 -10.242 -12.409
111 H LYS 13 H LYS 13 0.081 -7.492 -14.617
112 HA LYS 13 HA LYS 13 -0.112 -8.124 -17.365
113 HB2 LYS 13 2HB LYS 13 -1.105 -10.280 -16.527
114 HB3 LYS 13 3HB LYS 13 0.462 -9.868 -15.843
115 HG2 LYS 13 2HG LYS 13 -0.406 -10.141 -13.828
116 HG3 LYS 13 3HG LYS 13 -1.441 -8.742 -14.124
117 HD2 LYS 13 2HD LYS 13 -2.834 -10.585 -13.484
118 HD3 LYS 13 3HD LYS 13 -3.086 -10.276 -15.203
119 HE2 LYS 13 2HE LYS 13 -2.088 -12.225 -15.838
120 HE3 LYS 13 3HE LYS 13 -0.995 -12.243 -14.455
121 HZ1 LYS 13 3HZ LYS 13 -2.347 -13.768 -13.605
122 HZ2 LYS 13 1HZ LYS 13 -3.548 -13.484 -14.762
123 HZ3 LYS 13 2HZ LYS 13 -3.481 -12.537 -13.363
124 H LEU 14 H LEU 14 -2.513 -7.330 -14.910
125 HA LEU 14 HA LEU 14 -4.742 -7.846 -16.659
126 HB2 LEU 14 2HB LEU 14 -4.504 -6.581 -13.941
127 HB3 LEU 14 3HB LEU 14 -6.036 -6.719 -14.801
128 HG LEU 14 HG LEU 14 -4.305 -8.996 -13.838
129 HD11 LEU 14 1HD1 LEU 14 -6.818 -7.716 -12.849
130 HD12 LEU 14 2HD1 LEU 14 -5.384 -8.212 -11.952
131 HD13 LEU 14 3HD1 LEU 14 -6.512 -9.427 -12.551
132 HD21 LEU 14 3HD2 LEU 14 -6.174 -10.422 -14.594
133 HD22 LEU 14 1HD2 LEU 14 -5.359 -9.601 -15.925
134 HD23 LEU 14 2HD2 LEU 14 -6.917 -9.011 -15.347
135 H THR 15 H THR 15 -3.194 -4.952 -15.294
136 HA THR 15 HA THR 15 -4.815 -2.993 -16.355
137 HB THR 15 HB THR 15 -2.996 -1.453 -16.134
138 HG1 THR 15 HG1 THR 15 -1.358 -3.777 -16.255
139 HG21 THR 15 3HG2 THR 15 -1.912 -2.849 -13.955
140 HG22 THR 15 1HG2 THR 15 -3.575 -3.414 -14.109
141 HG23 THR 15 2HG2 THR 15 -3.241 -1.691 -13.931
142 H HIS 16 H HIS 16 -2.227 -4.796 -17.927
143 HA HIS 16 HA HIS 16 -2.453 -3.256 -20.370
144 HB2 HIS 16 2HB HIS 16 -0.377 -4.594 -19.263
145 HB3 HIS 16 3HB HIS 16 -0.963 -5.813 -20.391
146 HD1 HIS 16 HD1 HIS 16 0.137 -2.176 -20.429
147 HD2 HIS 16 HD2 HIS 16 -0.066 -5.487 -22.931
148 HE1 HIS 16 HE1 HIS 16 1.283 -1.482 -22.557
149 H ARG 17 H ARG 17 -3.676 -6.216 -19.039
150 HA ARG 17 HA ARG 17 -4.738 -7.033 -21.646
151 HB2 ARG 17 2HB ARG 17 -4.517 -8.480 -19.006
152 HB3 ARG 17 3HB ARG 17 -5.390 -9.128 -20.388
153 HG2 ARG 17 2HG ARG 17 -3.406 -9.281 -21.680
154 HG3 ARG 17 3HG ARG 17 -2.489 -8.353 -20.492
155 HD2 ARG 17 2HD ARG 17 -1.838 -10.387 -19.780
156 HD3 ARG 17 3HD ARG 17 -3.392 -10.372 -18.946
157 HE ARG 17 HE ARG 17 -3.892 -11.406 -21.448
158 HH11 ARG 17 1HH1 ARG 17 -1.887 -12.229 -18.725
159 HH12 ARG 17 2HH1 ARG 17 -1.938 -13.932 -19.035
160 HH21 ARG 17 1HH2 ARG 17 -3.967 -13.647 -21.868
161 HH22 ARG 17 2HH2 ARG 17 -3.121 -14.738 -20.824
162 H LEU 18 H LEU 18 -6.232 -7.793 -18.573
163 HA LEU 18 HA LEU 18 -8.570 -6.177 -19.351
164 HB2 LEU 18 2HB LEU 18 -9.969 -7.927 -18.285
165 HB3 LEU 18 3HB LEU 18 -9.120 -8.463 -19.734
166 HG LEU 18 HG LEU 18 -7.808 -9.015 -17.136
167 HD11 LEU 18 1HD1 LEU 18 -10.501 -9.604 -17.371
168 HD12 LEU 18 2HD1 LEU 18 -9.354 -10.351 -16.259
169 HD13 LEU 18 3HD1 LEU 18 -9.692 -11.107 -17.816
170 HD21 LEU 18 3HD2 LEU 18 -7.156 -9.649 -19.611
171 HD22 LEU 18 1HD2 LEU 18 -8.260 -10.991 -19.313
172 HD23 LEU 18 2HD2 LEU 18 -6.857 -10.756 -18.271
173 H PHE 19 H PHE 19 -7.514 -4.550 -17.973
174 HA PHE 19 HA PHE 19 -6.910 -4.775 -15.306
175 HB2 PHE 19 2HB PHE 19 -6.706 -2.728 -16.824
176 HB3 PHE 19 3HB PHE 19 -8.385 -2.392 -16.417
177 HD1 PHE 19 HD2 PHE 19 -5.608 -3.651 -14.287
178 HD2 PHE 19 HD1 PHE 19 -8.350 -0.497 -15.095
179 HE1 PHE 19 HE2 PHE 19 -4.876 -2.496 -12.242
180 HE2 PHE 19 HE1 PHE 19 -7.622 0.664 -13.052
181 HZ PHE 19 HZ PHE 19 -5.884 -0.336 -11.621
182 H ARG 20 H ARG 20 -10.068 -4.592 -16.809
183 HA ARG 20 HA ARG 20 -11.682 -3.965 -14.662
184 HB2 ARG 20 2HB ARG 20 -13.455 -5.245 -15.811
185 HB3 ARG 20 3HB ARG 20 -12.568 -4.195 -16.907
186 HG2 ARG 20 2HG ARG 20 -11.162 -6.500 -17.148
187 HG3 ARG 20 3HG ARG 20 -12.790 -7.115 -16.856
188 HD2 ARG 20 2HD ARG 20 -13.659 -5.889 -18.717
189 HD3 ARG 20 3HD ARG 20 -12.133 -5.030 -18.928
190 HE ARG 20 HE ARG 20 -11.888 -7.882 -19.164
191 HH11 ARG 20 1HH1 ARG 20 -12.641 -4.929 -20.847
192 HH12 ARG 20 2HH1 ARG 20 -12.232 -5.560 -22.408
193 HH21 ARG 20 1HH2 ARG 20 -11.346 -8.725 -21.213
194 HH22 ARG 20 2HH2 ARG 20 -11.496 -7.720 -22.615
195 H ARG 21 H ARG 21 -10.186 -7.044 -15.481
196 HA ARG 21 HA ARG 21 -11.151 -8.120 -12.912
197 HB2 ARG 21 2HB ARG 21 -11.299 -9.215 -15.580
198 HB3 ARG 21 3HB ARG 21 -10.380 -10.282 -14.527
199 HG2 ARG 21 2HG ARG 21 -12.300 -11.089 -13.781
200 HG3 ARG 21 3HG ARG 21 -12.618 -9.519 -13.040
201 HD2 ARG 21 2HD ARG 21 -13.205 -9.796 -15.930
202 HD3 ARG 21 3HD ARG 21 -14.267 -10.649 -14.811
203 HE ARG 21 HE ARG 21 -13.855 -7.922 -14.063
204 HH11 ARG 21 1HH1 ARG 21 -15.672 -10.029 -16.156
205 HH12 ARG 21 2HH1 ARG 21 -17.011 -8.940 -16.306
206 HH21 ARG 21 1HH2 ARG 21 -15.612 -6.480 -14.251
207 HH22 ARG 21 2HH2 ARG 21 -16.976 -6.922 -15.222
Start of MODEL 3
1 H1 LYS 1 H LYS 1 1.626 -1.005 0.681
2 HA LYS 1 HA LYS 1 1.964 0.907 -0.845
3 HB2 LYS 1 2HB LYS 1 4.503 -0.638 -1.289
4 HB3 LYS 1 3HB LYS 1 3.896 0.468 -2.514
5 HG2 LYS 1 2HG LYS 1 3.799 2.116 -0.441
6 HG3 LYS 1 3HG LYS 1 5.065 1.035 0.148
7 HD2 LYS 1 2HD LYS 1 6.101 1.381 -2.207
8 HD3 LYS 1 3HD LYS 1 5.054 2.800 -2.271
9 HE2 LYS 1 2HE LYS 1 6.149 3.124 0.169
10 HE3 LYS 1 3HE LYS 1 7.465 2.284 -0.650
11 HZ1 LYS 1 3HZ LYS 1 7.977 4.390 -1.241
12 HZ2 LYS 1 1HZ LYS 1 6.384 4.949 -1.120
13 HZ3 LYS 1 2HZ LYS 1 6.874 4.081 -2.487
14 H TYR 2 H TYR 2 -0.030 -0.277 -1.296
15 HA TYR 2 HA TYR 2 0.235 -1.996 -3.676
16 HB2 TYR 2 2HB TYR 2 -0.762 -2.869 -1.350
17 HB3 TYR 2 3HB TYR 2 -2.228 -2.163 -2.020
18 HD1 TYR 2 HD1 TYR 2 -1.751 -2.767 -4.925
19 HD2 TYR 2 HD2 TYR 2 -1.263 -5.166 -1.444
20 HE1 TYR 2 HE1 TYR 2 -2.110 -4.790 -6.276
21 HE2 TYR 2 HE2 TYR 2 -1.620 -7.196 -2.787
22 HH TYR 2 HH TYR 2 -2.881 -7.144 -5.896
23 H GLU 3 H GLU 3 0.133 0.801 -3.839
24 HA GLU 3 HA GLU 3 -2.549 1.217 -4.989
25 HB2 GLU 3 2HB GLU 3 -2.109 3.677 -4.584
26 HB3 GLU 3 3HB GLU 3 -2.383 2.701 -3.148
27 HG2 GLU 3 2HG GLU 3 0.094 2.559 -2.870
28 HG3 GLU 3 3HG GLU 3 0.247 3.721 -4.186
29 H ILE 4 H ILE 4 0.868 2.168 -5.242
30 HA ILE 4 HA ILE 4 0.482 2.419 -8.153
31 HB ILE 4 HB ILE 4 0.861 4.612 -6.935
32 HG12 ILE 4 2HG1 ILE 4 2.869 3.765 -9.035
33 HG13 ILE 4 3HG1 ILE 4 1.239 4.353 -9.343
34 HG21 ILE 4 1HG2 ILE 4 3.750 3.902 -6.813
35 HG22 ILE 4 2HG2 ILE 4 2.845 5.110 -5.903
36 HG23 ILE 4 3HG2 ILE 4 2.693 3.402 -5.493
37 HD11 ILE 4 3HD1 ILE 4 2.070 6.447 -8.024
38 HD12 ILE 4 1HD1 ILE 4 3.663 5.843 -8.481
39 HD13 ILE 4 2HD1 ILE 4 2.477 6.235 -9.727
40 H THR 5 H THR 5 2.101 0.885 -5.632
41 HA THR 5 HA THR 5 4.446 0.212 -7.240
42 HB THR 5 HB THR 5 3.736 -0.326 -4.359
43 HG1 THR 5 HG1 THR 5 5.608 1.289 -5.736
44 HG21 THR 5 3HG2 THR 5 6.101 -1.346 -5.935
45 HG22 THR 5 1HG2 THR 5 4.846 -2.316 -5.165
46 HG23 THR 5 2HG2 THR 5 5.974 -1.388 -4.177
47 H THR 6 H THR 6 2.466 -1.785 -5.064
48 HA THR 6 HA THR 6 2.884 -4.128 -6.627
49 HB THR 6 HB THR 6 0.843 -3.680 -4.441
50 HG1 THR 6 HG1 THR 6 3.488 -4.739 -4.287
51 HG21 THR 6 3HG2 THR 6 2.066 -6.236 -5.487
52 HG22 THR 6 1HG2 THR 6 0.437 -5.670 -5.850
53 HG23 THR 6 2HG2 THR 6 0.874 -6.096 -4.196
54 H ILE 7 H ILE 7 0.517 -1.616 -6.639
55 HA ILE 7 HA ILE 7 -1.634 -3.002 -7.826
56 HB ILE 7 HB ILE 7 -0.969 -0.237 -7.248
57 HG12 ILE 7 2HG1 ILE 7 -2.737 -1.580 -6.149
58 HG13 ILE 7 3HG1 ILE 7 -3.364 -0.090 -6.845
59 HG21 ILE 7 1HG2 ILE 7 -0.937 0.072 -9.631
60 HG22 ILE 7 2HG2 ILE 7 -2.448 -0.819 -9.808
61 HG23 ILE 7 3HG2 ILE 7 -2.437 0.745 -8.993
62 HD11 ILE 7 3HD1 ILE 7 -4.537 -2.466 -7.152
63 HD12 ILE 7 1HD1 ILE 7 -4.640 -1.176 -8.349
64 HD13 ILE 7 2HD1 ILE 7 -3.476 -2.484 -8.561
65 H HIS 8 H HIS 8 1.301 -1.657 -9.118
66 HA HIS 8 HA HIS 8 0.393 -2.325 -11.840
67 HB2 HIS 8 2HB HIS 8 1.706 0.006 -10.797
68 HB3 HIS 8 3HB HIS 8 2.753 -0.772 -11.980
69 HD1 HIS 8 HD1 HIS 8 2.042 -0.677 -14.428
70 HD2 HIS 8 HD2 HIS 8 -0.734 1.003 -11.834
71 HE1 HIS 8 HE1 HIS 8 0.398 0.534 -15.896
72 H ASN 9 H ASN 9 2.098 -3.585 -9.398
73 HA ASN 9 HA ASN 9 4.196 -4.715 -11.123
74 HB2 ASN 9 2HB ASN 9 5.402 -3.929 -9.343
75 HB3 ASN 9 3HB ASN 9 4.051 -4.082 -8.223
76 HD21 ASN 9 1HD2 ASN 9 4.773 -5.310 -6.629
77 HD22 ASN 9 2HD2 ASN 9 5.532 -6.852 -6.811
78 H LEU 10 H LEU 10 1.579 -5.509 -8.914
79 HA LEU 10 HA LEU 10 1.898 -8.354 -9.585
80 HB2 LEU 10 2HB LEU 10 1.935 -8.012 -7.233
81 HB3 LEU 10 3HB LEU 10 0.518 -6.966 -7.301
82 HG LEU 10 HG LEU 10 -0.909 -8.849 -7.774
83 HD11 LEU 10 1HD1 LEU 10 -0.016 -10.521 -8.948
84 HD12 LEU 10 2HD1 LEU 10 0.580 -11.127 -7.403
85 HD13 LEU 10 3HD1 LEU 10 1.622 -10.133 -8.421
86 HD21 LEU 10 3HD2 LEU 10 -1.042 -9.284 -5.601
87 HD22 LEU 10 1HD2 LEU 10 0.502 -8.459 -5.388
88 HD23 LEU 10 2HD2 LEU 10 0.462 -10.204 -5.643
89 H PHE 11 H PHE 11 0.219 -5.709 -10.558
90 HA PHE 11 HA PHE 11 -2.113 -7.325 -11.355
91 HB2 PHE 11 2HB PHE 11 -2.114 -4.971 -9.854
92 HB3 PHE 11 3HB PHE 11 -2.576 -4.462 -11.475
93 HD1 PHE 11 HD1 PHE 11 -3.460 -6.675 -8.665
94 HD2 PHE 11 HD2 PHE 11 -4.701 -4.992 -12.372
95 HE1 PHE 11 HE1 PHE 11 -5.754 -7.464 -8.251
96 HE2 PHE 11 HE2 PHE 11 -6.997 -5.777 -11.964
97 HZ PHE 11 HZ PHE 11 -7.526 -7.014 -9.901
98 H ARG 12 H ARG 12 0.642 -5.834 -12.421
99 HA ARG 12 HA ARG 12 0.029 -4.473 -14.723
100 HB2 ARG 12 2HB ARG 12 2.220 -5.489 -15.615
101 HB3 ARG 12 3HB ARG 12 2.294 -4.525 -14.146
102 HG2 ARG 12 2HG ARG 12 2.867 -6.285 -12.855
103 HG3 ARG 12 3HG ARG 12 1.888 -7.423 -13.782
104 HD2 ARG 12 2HD ARG 12 4.267 -7.905 -14.026
105 HD3 ARG 12 3HD ARG 12 3.555 -7.418 -15.563
106 HE ARG 12 HE ARG 12 4.891 -5.552 -15.559
107 HH11 ARG 12 1HH1 ARG 12 4.947 -7.027 -12.407
108 HH12 ARG 12 2HH1 ARG 12 6.234 -6.027 -11.818
109 HH21 ARG 12 1HH2 ARG 12 6.585 -4.229 -14.796
110 HH22 ARG 12 2HH2 ARG 12 7.164 -4.435 -13.178
111 H LYS 13 H LYS 13 0.032 -7.946 -14.187
112 HA LYS 13 HA LYS 13 -0.211 -8.755 -16.874
113 HB2 LYS 13 2HB LYS 13 0.396 -10.292 -15.051
114 HB3 LYS 13 3HB LYS 13 -1.218 -10.126 -14.373
115 HG2 LYS 13 2HG LYS 13 -2.138 -11.085 -16.468
116 HG3 LYS 13 3HG LYS 13 -0.483 -11.363 -17.017
117 HD2 LYS 13 2HD LYS 13 -1.154 -12.391 -14.331
118 HD3 LYS 13 3HD LYS 13 -1.943 -13.196 -15.690
119 HE2 LYS 13 2HE LYS 13 0.031 -13.989 -16.541
120 HE3 LYS 13 3HE LYS 13 0.981 -12.671 -15.858
121 HZ1 LYS 13 3HZ LYS 13 0.982 -15.130 -14.868
122 HZ2 LYS 13 1HZ LYS 13 -0.274 -14.466 -13.948
123 HZ3 LYS 13 2HZ LYS 13 1.261 -13.756 -13.920
124 H LEU 14 H LEU 14 -2.623 -7.944 -14.417
125 HA LEU 14 HA LEU 14 -4.846 -8.556 -16.130
126 HB2 LEU 14 2HB LEU 14 -4.610 -7.169 -13.472
127 HB3 LEU 14 3HB LEU 14 -6.147 -7.367 -14.312
128 HG LEU 14 HG LEU 14 -4.374 -9.579 -13.279
129 HD11 LEU 14 1HD1 LEU 14 -6.908 -8.314 -12.310
130 HD12 LEU 14 2HD1 LEU 14 -5.437 -8.694 -11.415
131 HD13 LEU 14 3HD1 LEU 14 -6.523 -9.990 -11.917
132 HD21 LEU 14 3HD2 LEU 14 -7.011 -9.686 -14.738
133 HD22 LEU 14 1HD2 LEU 14 -6.236 -11.056 -13.943
134 HD23 LEU 14 2HD2 LEU 14 -5.456 -10.279 -15.322
135 H THR 15 H THR 15 -3.355 -5.569 -14.909
136 HA THR 15 HA THR 15 -5.024 -3.696 -16.043
137 HB THR 15 HB THR 15 -3.230 -2.112 -15.921
138 HG1 THR 15 HG1 THR 15 -1.381 -2.826 -16.676
139 HG21 THR 15 3HG2 THR 15 -2.108 -3.348 -13.677
140 HG22 THR 15 1HG2 THR 15 -3.746 -3.990 -13.792
141 HG23 THR 15 2HG2 THR 15 -3.485 -2.247 -13.709
142 H HIS 16 H HIS 16 -2.430 -5.529 -17.561
143 HA HIS 16 HA HIS 16 -2.718 -4.105 -20.071
144 HB2 HIS 16 2HB HIS 16 -0.556 -5.189 -18.999
145 HB3 HIS 16 3HB HIS 16 -1.136 -6.629 -19.832
146 HD1 HIS 16 HD1 HIS 16 1.416 -5.821 -20.902
147 HD2 HIS 16 HD2 HIS 16 -2.070 -3.956 -22.176
148 HE1 HIS 16 HE1 HIS 16 1.979 -4.794 -23.127
149 H ARG 17 H ARG 17 -3.844 -7.027 -18.581
150 HA ARG 17 HA ARG 17 -4.922 -7.989 -21.135
151 HB2 ARG 17 2HB ARG 17 -4.585 -9.326 -18.449
152 HB3 ARG 17 3HB ARG 17 -5.470 -10.056 -19.781
153 HG2 ARG 17 2HG ARG 17 -3.492 -10.118 -21.139
154 HG3 ARG 17 3HG ARG 17 -2.584 -9.217 -19.923
155 HD2 ARG 17 2HD ARG 17 -1.993 -11.151 -19.004
156 HD3 ARG 17 3HD ARG 17 -3.685 -11.427 -18.591
157 HE ARG 17 HE ARG 17 -3.812 -12.968 -20.281
158 HH11 ARG 17 1HH1 ARG 17 -0.929 -11.058 -20.684
159 HH12 ARG 17 2HH1 ARG 17 -0.295 -12.046 -21.958
160 HH21 ARG 17 1HH2 ARG 17 -2.988 -14.276 -21.958
161 HH22 ARG 17 2HH2 ARG 17 -1.468 -13.876 -22.683
162 H LEU 18 H LEU 18 -6.312 -8.672 -17.993
163 HA LEU 18 HA LEU 18 -8.728 -7.181 -18.781
164 HB2 LEU 18 2HB LEU 18 -10.033 -8.930 -17.602
165 HB3 LEU 18 3HB LEU 18 -9.196 -9.504 -19.042
166 HG LEU 18 HG LEU 18 -7.635 -9.906 -16.623
167 HD11 LEU 18 1HD1 LEU 18 -9.947 -10.094 -15.699
168 HD12 LEU 18 2HD1 LEU 18 -8.990 -11.570 -15.584
169 HD13 LEU 18 3HD1 LEU 18 -10.230 -11.419 -16.828
170 HD21 LEU 18 3HD2 LEU 18 -7.237 -10.916 -18.862
171 HD22 LEU 18 1HD2 LEU 18 -8.711 -11.860 -18.649
172 HD23 LEU 18 2HD2 LEU 18 -7.348 -12.096 -17.555
173 H PHE 19 H PHE 19 -7.717 -5.449 -17.510
174 HA PHE 19 HA PHE 19 -7.032 -5.523 -14.853
175 HB2 PHE 19 2HB PHE 19 -6.948 -3.544 -16.464
176 HB3 PHE 19 3HB PHE 19 -8.633 -3.259 -16.039
177 HD1 PHE 19 HD1 PHE 19 -5.766 -4.298 -13.909
178 HD2 PHE 19 HD2 PHE 19 -8.653 -1.303 -14.809
179 HE1 PHE 19 HE1 PHE 19 -5.046 -3.016 -11.936
180 HE2 PHE 19 HE2 PHE 19 -7.938 -0.016 -12.838
181 HZ PHE 19 HZ PHE 19 -6.131 -0.872 -11.399
182 H ARG 20 H ARG 20 -10.226 -4.372 -15.941
183 HA ARG 20 HA ARG 20 -11.349 -5.056 -13.351
184 HB2 ARG 20 2HB ARG 20 -12.004 -2.928 -14.236
185 HB3 ARG 20 3HB ARG 20 -12.479 -3.648 -15.768
186 HG2 ARG 20 2HG ARG 20 -13.936 -4.894 -13.651
187 HG3 ARG 20 3HG ARG 20 -14.081 -3.141 -13.517
188 HD2 ARG 20 2HD ARG 20 -15.293 -2.969 -15.407
189 HD3 ARG 20 3HD ARG 20 -14.355 -4.208 -16.240
190 HE ARG 20 HE ARG 20 -15.938 -5.737 -15.641
191 HH11 ARG 20 1HH1 ARG 20 -16.239 -2.950 -13.577
192 HH12 ARG 20 2HH1 ARG 20 -17.682 -3.516 -12.804
193 HH21 ARG 20 1HH2 ARG 20 -17.839 -6.493 -14.631
194 HH22 ARG 20 2HH2 ARG 20 -18.591 -5.531 -13.404
195 H ARG 21 H ARG 21 -12.718 -5.480 -16.607
196 HA ARG 21 HA ARG 21 -14.312 -7.675 -15.911
197 HB2 ARG 21 2HB ARG 21 -14.538 -8.031 -18.356
198 HB3 ARG 21 3HB ARG 21 -14.803 -6.360 -17.876
199 HG2 ARG 21 2HG ARG 21 -13.403 -5.852 -19.532
200 HG3 ARG 21 3HG ARG 21 -12.128 -6.381 -18.433
201 HD2 ARG 21 2HD ARG 21 -11.578 -7.956 -19.898
202 HD3 ARG 21 3HD ARG 21 -13.150 -8.707 -19.628
203 HE ARG 21 HE ARG 21 -13.788 -7.977 -21.691
204 HH11 ARG 21 1HH1 ARG 21 -11.075 -6.071 -20.628
205 HH12 ARG 21 2HH1 ARG 21 -10.923 -5.215 -22.127
206 HH21 ARG 21 1HH2 ARG 21 -13.597 -6.857 -23.669
207 HH22 ARG 21 2HH2 ARG 21 -12.358 -5.662 -23.855
Start of MODEL 4
1 H1 LYS 1 H LYS 1 1.608 0.682 0.803
2 HA LYS 1 HA LYS 1 2.159 1.042 -1.575
3 HB2 LYS 1 2HB LYS 1 3.715 -0.368 0.288
4 HB3 LYS 1 3HB LYS 1 3.853 -1.272 -1.214
5 HG2 LYS 1 2HG LYS 1 4.522 0.808 -2.364
6 HG3 LYS 1 3HG LYS 1 4.472 1.648 -0.812
7 HD2 LYS 1 2HD LYS 1 6.098 -0.198 -0.022
8 HD3 LYS 1 3HD LYS 1 6.354 -0.493 -1.744
9 HE2 LYS 1 2HE LYS 1 7.790 1.199 -1.808
10 HE3 LYS 1 3HE LYS 1 6.501 2.302 -1.330
11 HZ1 LYS 1 3HZ LYS 1 7.797 0.725 0.765
12 HZ2 LYS 1 1HZ LYS 1 7.162 2.292 0.829
13 HZ3 LYS 1 2HZ LYS 1 8.665 2.018 0.104
14 H TYR 2 H TYR 2 -0.222 -0.703 -1.423
15 HA TYR 2 HA TYR 2 0.415 -2.486 -3.682
16 HB2 TYR 2 2HB TYR 2 -0.483 -3.321 -1.250
17 HB3 TYR 2 3HB TYR 2 -2.003 -3.107 -2.111
18 HD1 TYR 2 HD1 TYR 2 -1.472 -3.960 -4.798
19 HD2 TYR 2 HD2 TYR 2 0.015 -5.573 -1.152
20 HE1 TYR 2 HE1 TYR 2 -1.161 -6.139 -5.895
21 HE2 TYR 2 HE2 TYR 2 0.331 -7.756 -2.240
22 HH TYR 2 HH TYR 2 0.445 -8.802 -4.271
23 H GLU 3 H GLU 3 -0.340 0.281 -3.859
24 HA GLU 3 HA GLU 3 -2.972 0.007 -5.158
25 HB2 GLU 3 2HB GLU 3 -3.187 2.501 -4.750
26 HB3 GLU 3 3HB GLU 3 -3.302 1.472 -3.330
27 HG2 GLU 3 2HG GLU 3 -0.907 1.951 -2.865
28 HG3 GLU 3 3HG GLU 3 -0.929 3.102 -4.200
29 H ILE 4 H ILE 4 0.110 1.774 -5.232
30 HA ILE 4 HA ILE 4 -0.174 1.955 -8.160
31 HB ILE 4 HB ILE 4 -0.410 4.162 -6.923
32 HG12 ILE 4 2HG1 ILE 4 1.838 3.860 -8.927
33 HG13 ILE 4 3HG1 ILE 4 0.128 4.028 -9.311
34 HG21 ILE 4 1HG2 ILE 4 2.493 4.441 -6.704
35 HG22 ILE 4 2HG2 ILE 4 1.214 4.978 -5.615
36 HG23 ILE 4 3HG2 ILE 4 1.788 3.312 -5.547
37 HD11 ILE 4 3HD1 ILE 4 1.075 6.141 -9.664
38 HD12 ILE 4 1HD1 ILE 4 0.231 6.259 -8.120
39 HD13 ILE 4 2HD1 ILE 4 1.985 6.077 -8.155
40 H THR 5 H THR 5 1.595 0.754 -5.595
41 HA THR 5 HA THR 5 4.128 0.717 -7.067
42 HB THR 5 HB THR 5 3.415 0.094 -4.212
43 HG1 THR 5 HG1 THR 5 3.987 2.275 -4.993
44 HG21 THR 5 3HG2 THR 5 5.877 -0.699 -5.740
45 HG22 THR 5 1HG2 THR 5 4.881 -1.681 -4.667
46 HG23 THR 5 2HG2 THR 5 5.921 -0.422 -4.000
47 H THR 6 H THR 6 2.529 -1.693 -4.991
48 HA THR 6 HA THR 6 3.589 -3.865 -6.518
49 HB THR 6 HB THR 6 1.383 -4.022 -4.462
50 HG1 THR 6 HG1 THR 6 4.204 -3.869 -4.152
51 HG21 THR 6 3HG2 THR 6 3.502 -6.052 -5.141
52 HG22 THR 6 1HG2 THR 6 1.921 -6.024 -5.920
53 HG23 THR 6 2HG2 THR 6 2.043 -6.284 -4.180
54 H ILE 7 H ILE 7 0.649 -2.033 -6.561
55 HA ILE 7 HA ILE 7 -1.021 -3.903 -7.860
56 HB ILE 7 HB ILE 7 -1.142 -1.081 -7.178
57 HG12 ILE 7 2HG1 ILE 7 -2.481 -2.959 -6.195
58 HG13 ILE 7 3HG1 ILE 7 -3.452 -1.600 -6.752
59 HG21 ILE 7 1HG2 ILE 7 -1.163 -0.702 -9.552
60 HG22 ILE 7 2HG2 ILE 7 -2.376 -1.961 -9.782
61 HG23 ILE 7 3HG2 ILE 7 -2.796 -0.479 -8.925
62 HD11 ILE 7 3HD1 ILE 7 -3.020 -4.173 -8.251
63 HD12 ILE 7 1HD1 ILE 7 -4.460 -3.743 -7.328
64 HD13 ILE 7 2HD1 ILE 7 -4.027 -2.822 -8.769
65 H HIS 8 H HIS 8 1.501 -1.813 -8.995
66 HA HIS 8 HA HIS 8 0.726 -2.093 -11.781
67 HB2 HIS 8 2HB HIS 8 2.389 -0.304 -10.270
68 HB3 HIS 8 3HB HIS 8 3.327 -0.998 -11.589
69 HD1 HIS 8 HD1 HIS 8 1.037 1.679 -10.865
70 HD2 HIS 8 HD2 HIS 8 1.918 -0.650 -14.190
71 HE1 HIS 8 HE1 HIS 8 0.125 2.949 -12.835
72 H ASN 9 H ASN 9 2.091 -4.113 -9.652
73 HA ASN 9 HA ASN 9 3.854 -5.326 -11.679
74 HB2 ASN 9 2HB ASN 9 4.181 -5.862 -8.744
75 HB3 ASN 9 3HB ASN 9 5.366 -6.009 -10.038
76 HD21 ASN 9 1HD2 ASN 9 5.389 -4.562 -7.444
77 HD22 ASN 9 2HD2 ASN 9 5.800 -2.932 -7.845
78 H LEU 10 H LEU 10 1.341 -5.799 -9.307
79 HA LEU 10 HA LEU 10 1.191 -8.652 -9.983
80 HB2 LEU 10 2HB LEU 10 1.294 -8.117 -7.608
81 HB3 LEU 10 3HB LEU 10 -0.128 -7.088 -7.767
82 HG LEU 10 HG LEU 10 -0.810 -9.687 -8.699
83 HD11 LEU 10 1HD1 LEU 10 0.910 -9.630 -6.282
84 HD12 LEU 10 2HD1 LEU 10 0.719 -10.881 -7.510
85 HD13 LEU 10 3HD1 LEU 10 -0.511 -10.676 -6.263
86 HD21 LEU 10 3HD2 LEU 10 -1.874 -9.108 -6.115
87 HD22 LEU 10 1HD2 LEU 10 -2.672 -9.037 -7.687
88 HD23 LEU 10 2HD2 LEU 10 -1.823 -7.622 -7.065
89 H PHE 11 H PHE 11 -0.148 -5.725 -10.841
90 HA PHE 11 HA PHE 11 -2.609 -7.040 -11.788
91 HB2 PHE 11 2HB PHE 11 -2.488 -4.909 -10.041
92 HB3 PHE 11 3HB PHE 11 -2.743 -4.123 -11.596
93 HD1 PHE 11 HD1 PHE 11 -4.764 -4.580 -12.902
94 HD2 PHE 11 HD2 PHE 11 -4.194 -6.227 -9.019
95 HE1 PHE 11 HE1 PHE 11 -7.164 -5.106 -12.776
96 HE2 PHE 11 HE2 PHE 11 -6.593 -6.756 -8.887
97 HZ PHE 11 HZ PHE 11 -8.081 -6.196 -10.767
98 H ARG 12 H ARG 12 0.284 -5.705 -12.684
99 HA ARG 12 HA ARG 12 -0.189 -4.097 -14.866
100 HB2 ARG 12 2HB ARG 12 1.954 -5.172 -15.802
101 HB3 ARG 12 3HB ARG 12 2.054 -4.347 -14.252
102 HG2 ARG 12 2HG ARG 12 2.710 -6.195 -13.215
103 HG3 ARG 12 3HG ARG 12 1.401 -7.143 -13.924
104 HD2 ARG 12 2HD ARG 12 2.715 -7.969 -15.550
105 HD3 ARG 12 3HD ARG 12 3.545 -6.432 -15.793
106 HE ARG 12 HE ARG 12 4.427 -8.624 -14.192
107 HH11 ARG 12 1HH1 ARG 12 4.503 -5.157 -14.496
108 HH12 ARG 12 2HH1 ARG 12 5.998 -4.984 -13.637
109 HH21 ARG 12 1HH2 ARG 12 6.396 -8.410 -13.060
110 HH22 ARG 12 2HH2 ARG 12 7.074 -6.835 -12.822
111 H LYS 13 H LYS 13 -0.328 -7.615 -14.663
112 HA LYS 13 HA LYS 13 -0.549 -8.218 -17.375
113 HB2 LYS 13 2HB LYS 13 -1.745 -10.277 -16.602
114 HB3 LYS 13 3HB LYS 13 -0.214 -9.982 -15.789
115 HG2 LYS 13 2HG LYS 13 -1.514 -8.949 -13.913
116 HG3 LYS 13 3HG LYS 13 -2.982 -9.520 -14.709
117 HD2 LYS 13 2HD LYS 13 -0.895 -11.558 -14.368
118 HD3 LYS 13 3HD LYS 13 -1.570 -10.932 -12.862
119 HE2 LYS 13 2HE LYS 13 -3.613 -11.486 -14.853
120 HE3 LYS 13 3HE LYS 13 -2.657 -12.914 -14.457
121 HZ1 LYS 13 3HZ LYS 13 -3.155 -12.577 -12.129
122 HZ2 LYS 13 1HZ LYS 13 -4.593 -12.676 -13.014
123 HZ3 LYS 13 2HZ LYS 13 -4.031 -11.173 -12.481
124 H LEU 14 H LEU 14 -3.098 -7.486 -15.010
125 HA LEU 14 HA LEU 14 -5.210 -7.695 -16.922
126 HB2 LEU 14 2HB LEU 14 -5.234 -6.306 -14.249
127 HB3 LEU 14 3HB LEU 14 -6.636 -6.838 -15.175
128 HG LEU 14 HG LEU 14 -4.614 -8.566 -13.757
129 HD11 LEU 14 1HD1 LEU 14 -7.397 -7.689 -13.240
130 HD12 LEU 14 2HD1 LEU 14 -6.080 -8.015 -12.113
131 HD13 LEU 14 3HD1 LEU 14 -6.977 -9.353 -12.832
132 HD21 LEU 14 3HD2 LEU 14 -5.213 -9.562 -15.914
133 HD22 LEU 14 1HD2 LEU 14 -6.923 -9.409 -15.507
134 HD23 LEU 14 2HD2 LEU 14 -5.884 -10.479 -14.564
135 H THR 15 H THR 15 -3.526 -4.976 -15.380
136 HA THR 15 HA THR 15 -4.925 -2.845 -16.378
137 HB THR 15 HB THR 15 -2.943 -1.501 -16.157
138 HG1 THR 15 HG1 THR 15 -1.110 -2.331 -16.786
139 HG21 THR 15 3HG2 THR 15 -2.015 -2.938 -13.975
140 HG22 THR 15 1HG2 THR 15 -3.685 -3.473 -14.158
141 HG23 THR 15 2HG2 THR 15 -3.325 -1.757 -13.969
142 H HIS 16 H HIS 16 -2.575 -4.856 -18.054
143 HA HIS 16 HA HIS 16 -2.763 -3.216 -20.457
144 HB2 HIS 16 2HB HIS 16 -0.907 -5.240 -19.423
145 HB3 HIS 16 3HB HIS 16 -1.244 -5.400 -21.144
146 HD1 HIS 16 HD1 HIS 16 -1.271 -2.597 -22.143
147 HD2 HIS 16 HD2 HIS 16 1.418 -3.884 -19.248
148 HE1 HIS 16 HE1 HIS 16 0.655 -0.983 -22.248
149 H ARG 17 H ARG 17 -3.989 -6.175 -19.139
150 HA ARG 17 HA ARG 17 -5.097 -6.952 -21.743
151 HB2 ARG 17 2HB ARG 17 -4.800 -8.455 -19.142
152 HB3 ARG 17 3HB ARG 17 -5.714 -9.075 -20.510
153 HG2 ARG 17 2HG ARG 17 -3.748 -9.136 -21.877
154 HG3 ARG 17 3HG ARG 17 -2.804 -8.322 -20.627
155 HD2 ARG 17 2HD ARG 17 -2.745 -10.193 -19.270
156 HD3 ARG 17 3HD ARG 17 -4.185 -10.896 -20.005
157 HE ARG 17 HE ARG 17 -2.319 -10.858 -22.006
158 HH11 ARG 17 1HH1 ARG 17 -2.497 -12.199 -18.799
159 HH12 ARG 17 2HH1 ARG 17 -1.464 -13.542 -19.162
160 HH21 ARG 17 1HH2 ARG 17 -0.957 -12.621 -22.497
161 HH22 ARG 17 2HH2 ARG 17 -0.588 -13.780 -21.265
162 H LEU 18 H LEU 18 -6.490 -7.737 -18.619
163 HA LEU 18 HA LEU 18 -8.867 -6.148 -19.328
164 HB2 LEU 18 2HB LEU 18 -10.214 -7.907 -18.208
165 HB3 LEU 18 3HB LEU 18 -9.409 -8.440 -19.682
166 HG LEU 18 HG LEU 18 -8.007 -8.969 -17.127
167 HD11 LEU 18 1HD1 LEU 18 -10.551 -9.473 -16.893
168 HD12 LEU 18 2HD1 LEU 18 -9.364 -10.673 -16.385
169 HD13 LEU 18 3HD1 LEU 18 -10.181 -10.846 -17.938
170 HD21 LEU 18 3HD2 LEU 18 -7.689 -11.173 -18.379
171 HD22 LEU 18 1HD2 LEU 18 -6.912 -9.738 -19.050
172 HD23 LEU 18 2HD2 LEU 18 -8.404 -10.348 -19.765
173 H PHE 19 H PHE 19 -7.789 -4.503 -17.993
174 HA PHE 19 HA PHE 19 -7.134 -4.752 -15.320
175 HB2 PHE 19 2HB PHE 19 -6.842 -2.728 -16.853
176 HB3 PHE 19 3HB PHE 19 -8.504 -2.313 -16.446
177 HD1 PHE 19 HD1 PHE 19 -5.739 -3.654 -14.344
178 HD2 PHE 19 HD2 PHE 19 -8.424 -0.440 -15.106
179 HE1 PHE 19 HE1 PHE 19 -4.952 -2.518 -12.308
180 HE2 PHE 19 HE2 PHE 19 -7.640 0.702 -13.072
181 HZ PHE 19 HZ PHE 19 -5.902 -0.336 -11.671
182 H ARG 20 H ARG 20 -10.265 -4.633 -16.817
183 HA ARG 20 HA ARG 20 -11.907 -3.817 -14.763
184 HB2 ARG 20 2HB ARG 20 -12.267 -5.808 -16.977
185 HB3 ARG 20 3HB ARG 20 -13.540 -5.575 -15.786
186 HG2 ARG 20 2HG ARG 20 -14.241 -3.736 -16.801
187 HG3 ARG 20 3HG ARG 20 -12.619 -3.040 -16.777
188 HD2 ARG 20 2HD ARG 20 -12.200 -4.698 -18.754
189 HD3 ARG 20 3HD ARG 20 -13.957 -4.672 -18.889
190 HE ARG 20 HE ARG 20 -13.157 -2.034 -18.779
191 HH11 ARG 20 1HH1 ARG 20 -12.611 -4.778 -20.852
192 HH12 ARG 20 2HH1 ARG 20 -12.385 -3.821 -22.278
193 HH21 ARG 20 1HH2 ARG 20 -12.861 -0.763 -20.650
194 HH22 ARG 20 2HH2 ARG 20 -12.526 -1.537 -22.162
195 H ARG 21 H ARG 21 -10.210 -6.845 -15.140
196 HA ARG 21 HA ARG 21 -11.639 -8.270 -13.127
197 HB2 ARG 21 2HB ARG 21 -9.573 -8.824 -15.001
198 HB3 ARG 21 3HB ARG 21 -8.982 -9.278 -13.408
199 HG2 ARG 21 2HG ARG 21 -10.070 -11.140 -14.573
200 HG3 ARG 21 3HG ARG 21 -10.891 -10.719 -13.069
201 HD2 ARG 21 2HD ARG 21 -12.776 -10.131 -14.129
202 HD3 ARG 21 3HD ARG 21 -11.902 -9.284 -15.405
203 HE ARG 21 HE ARG 21 -11.479 -11.901 -15.974
204 HH11 ARG 21 1HH1 ARG 21 -14.330 -9.990 -15.389
205 HH12 ARG 21 2HH1 ARG 21 -15.343 -10.949 -16.416
206 HH21 ARG 21 1HH2 ARG 21 -12.803 -13.171 -17.330
207 HH22 ARG 21 2HH2 ARG 21 -14.473 -12.759 -17.519
Start of MODEL 5
1 H1 LYS 1 H LYS 1 1.528 -0.144 0.802
2 HA LYS 1 HA LYS 1 2.089 1.108 -1.079
3 HB2 LYS 1 2HB LYS 1 4.401 -0.826 -1.322
4 HB3 LYS 1 3HB LYS 1 4.097 0.513 -2.422
5 HG2 LYS 1 2HG LYS 1 4.145 1.416 0.316
6 HG3 LYS 1 3HG LYS 1 5.628 0.555 -0.104
7 HD2 LYS 1 2HD LYS 1 5.455 2.050 -2.279
8 HD3 LYS 1 3HD LYS 1 4.517 3.088 -1.203
9 HE2 LYS 1 2HE LYS 1 6.627 3.914 -0.852
10 HE3 LYS 1 3HE LYS 1 6.541 2.696 0.421
11 HZ1 LYS 1 3HZ LYS 1 8.528 2.159 -0.509
12 HZ2 LYS 1 1HZ LYS 1 8.097 2.690 -2.056
13 HZ3 LYS 1 2HZ LYS 1 7.529 1.203 -1.484
14 H TYR 2 H TYR 2 -0.001 -0.274 -1.277
15 HA TYR 2 HA TYR 2 0.276 -1.996 -3.653
16 HB2 TYR 2 2HB TYR 2 -0.593 -2.902 -1.287
17 HB3 TYR 2 3HB TYR 2 -2.117 -2.283 -1.912
18 HD1 TYR 2 HD1 TYR 2 -1.708 -2.885 -4.826
19 HD2 TYR 2 HD2 TYR 2 -0.968 -5.223 -1.349
20 HE1 TYR 2 HE1 TYR 2 -2.003 -4.937 -6.150
21 HE2 TYR 2 HE2 TYR 2 -1.259 -7.281 -2.664
22 HH TYR 2 HH TYR 2 -1.727 -7.178 -6.159
23 H GLU 3 H GLU 3 0.016 0.790 -3.829
24 HA GLU 3 HA GLU 3 -2.721 1.049 -4.890
25 HB2 GLU 3 2HB GLU 3 -2.407 3.532 -4.514
26 HB3 GLU 3 3HB GLU 3 -2.576 2.553 -3.063
27 HG2 GLU 3 2HG GLU 3 -0.082 2.550 -2.880
28 HG3 GLU 3 3HG GLU 3 -0.049 3.721 -4.197
29 H ILE 4 H ILE 4 0.627 2.185 -5.262
30 HA ILE 4 HA ILE 4 0.133 2.392 -8.160
31 HB ILE 4 HB ILE 4 0.430 4.612 -6.968
32 HG12 ILE 4 2HG1 ILE 4 2.410 3.861 -9.130
33 HG13 ILE 4 3HG1 ILE 4 0.741 4.357 -9.386
34 HG21 ILE 4 1HG2 ILE 4 2.540 3.356 -5.758
35 HG22 ILE 4 2HG2 ILE 4 3.337 4.349 -6.977
36 HG23 ILE 4 3HG2 ILE 4 2.269 5.098 -5.790
37 HD11 ILE 4 3HD1 ILE 4 2.012 6.251 -9.857
38 HD12 ILE 4 1HD1 ILE 4 1.394 6.530 -8.229
39 HD13 ILE 4 2HD1 ILE 4 3.062 6.006 -8.462
40 H THR 5 H THR 5 1.916 0.970 -5.686
41 HA THR 5 HA THR 5 4.242 0.416 -7.366
42 HB THR 5 HB THR 5 3.654 -0.142 -4.461
43 HG1 THR 5 HG1 THR 5 5.332 1.597 -5.914
44 HG21 THR 5 3HG2 THR 5 6.019 -1.044 -6.107
45 HG22 THR 5 1HG2 THR 5 4.844 -2.074 -5.291
46 HG23 THR 5 2HG2 THR 5 5.952 -1.080 -4.345
47 H THR 6 H THR 6 2.443 -1.673 -5.119
48 HA THR 6 HA THR 6 2.941 -4.000 -6.683
49 HB THR 6 HB THR 6 0.947 -3.649 -4.437
50 HG1 THR 6 HG1 THR 6 2.590 -4.038 -3.085
51 HG21 THR 6 3HG2 THR 6 2.269 -6.142 -5.514
52 HG22 THR 6 1HG2 THR 6 0.599 -5.664 -5.821
53 HG23 THR 6 2HG2 THR 6 1.117 -6.059 -4.182
54 H ILE 7 H ILE 7 0.442 -1.621 -6.638
55 HA ILE 7 HA ILE 7 -1.665 -3.130 -7.750
56 HB ILE 7 HB ILE 7 -1.130 -0.324 -7.219
57 HG12 ILE 7 2HG1 ILE 7 -2.773 -1.748 -6.032
58 HG13 ILE 7 3HG1 ILE 7 -3.512 -0.306 -6.720
59 HG21 ILE 7 1HG2 ILE 7 -1.212 -0.040 -9.601
60 HG22 ILE 7 2HG2 ILE 7 -2.670 -1.024 -9.712
61 HG23 ILE 7 3HG2 ILE 7 -2.726 0.547 -8.913
62 HD11 ILE 7 3HD1 ILE 7 -3.554 -2.727 -8.402
63 HD12 ILE 7 1HD1 ILE 7 -4.557 -2.751 -6.952
64 HD13 ILE 7 2HD1 ILE 7 -4.782 -1.485 -8.159
65 H HIS 8 H HIS 8 1.151 -1.634 -9.139
66 HA HIS 8 HA HIS 8 0.200 -2.370 -11.828
67 HB2 HIS 8 2HB HIS 8 1.416 0.036 -10.837
68 HB3 HIS 8 3HB HIS 8 2.467 -0.693 -12.048
69 HD1 HIS 8 HD1 HIS 8 1.913 -0.155 -14.401
70 HD2 HIS 8 HD2 HIS 8 -1.341 0.392 -11.877
71 HE1 HIS 8 HE1 HIS 8 0.102 0.828 -15.843
72 H ASN 9 H ASN 9 2.040 -3.523 -9.433
73 HA ASN 9 HA ASN 9 4.144 -4.549 -11.216
74 HB2 ASN 9 2HB ASN 9 5.361 -3.688 -9.480
75 HB3 ASN 9 3HB ASN 9 4.055 -3.901 -8.317
76 HD21 ASN 9 1HD2 ASN 9 4.885 -5.078 -6.737
77 HD22 ASN 9 2HD2 ASN 9 5.719 -6.579 -6.931
78 H LEU 10 H LEU 10 1.642 -5.466 -8.922
79 HA LEU 10 HA LEU 10 2.092 -8.294 -9.589
80 HB2 LEU 10 2HB LEU 10 2.189 -7.942 -7.242
81 HB3 LEU 10 3HB LEU 10 0.722 -6.966 -7.264
82 HG LEU 10 HG LEU 10 -0.627 -8.919 -7.686
83 HD11 LEU 10 1HD1 LEU 10 1.004 -11.112 -7.338
84 HD12 LEU 10 2HD1 LEU 10 1.934 -10.076 -8.420
85 HD13 LEU 10 3HD1 LEU 10 0.299 -10.569 -8.861
86 HD21 LEU 10 3HD2 LEU 10 0.887 -10.177 -5.586
87 HD22 LEU 10 1HD2 LEU 10 -0.674 -9.360 -5.510
88 HD23 LEU 10 2HD2 LEU 10 0.815 -8.430 -5.345
89 H PHE 11 H PHE 11 0.241 -5.749 -10.514
90 HA PHE 11 HA PHE 11 -2.023 -7.494 -11.230
91 HB2 PHE 11 2HB PHE 11 -2.110 -5.146 -9.727
92 HB3 PHE 11 3HB PHE 11 -2.644 -4.658 -11.332
93 HD1 PHE 11 HD2 PHE 11 -3.333 -6.911 -8.500
94 HD2 PHE 11 HD1 PHE 11 -4.759 -5.309 -12.177
95 HE1 PHE 11 HE2 PHE 11 -5.569 -7.821 -8.026
96 HE2 PHE 11 HE1 PHE 11 -6.997 -6.216 -11.708
97 HZ PHE 11 HZ PHE 11 -7.405 -7.475 -9.631
98 H ARG 12 H ARG 12 0.609 -5.865 -12.390
99 HA ARG 12 HA ARG 12 -0.150 -4.538 -14.668
100 HB2 ARG 12 2HB ARG 12 2.056 -5.447 -15.637
101 HB3 ARG 12 3HB ARG 12 2.134 -4.478 -14.172
102 HG2 ARG 12 2HG ARG 12 2.653 -6.288 -12.841
103 HG3 ARG 12 3HG ARG 12 1.968 -7.451 -13.977
104 HD2 ARG 12 2HD ARG 12 4.190 -7.799 -14.366
105 HD3 ARG 12 3HD ARG 12 3.882 -6.519 -15.539
106 HE ARG 12 HE ARG 12 4.646 -5.330 -13.129
107 HH11 ARG 12 1HH1 ARG 12 5.995 -7.344 -15.627
108 HH12 ARG 12 2HH1 ARG 12 7.612 -6.764 -15.403
109 HH21 ARG 12 1HH2 ARG 12 6.770 -4.557 -12.824
110 HH22 ARG 12 2HH2 ARG 12 8.052 -5.179 -13.808
111 H LYS 13 H LYS 13 0.073 -8.010 -14.149
112 HA LYS 13 HA LYS 13 -0.230 -8.833 -16.820
113 HB2 LYS 13 2HB LYS 13 0.471 -10.269 -14.870
114 HB3 LYS 13 3HB LYS 13 -1.217 -10.310 -14.377
115 HG2 LYS 13 2HG LYS 13 -1.293 -11.054 -17.036
116 HG3 LYS 13 3HG LYS 13 0.162 -11.836 -16.416
117 HD2 LYS 13 2HD LYS 13 -1.006 -13.149 -14.946
118 HD3 LYS 13 3HD LYS 13 -2.325 -11.987 -14.788
119 HE2 LYS 13 2HE LYS 13 -3.471 -12.882 -16.498
120 HE3 LYS 13 3HE LYS 13 -2.022 -13.095 -17.480
121 HZ1 LYS 13 3HZ LYS 13 -3.433 -15.019 -15.977
122 HZ2 LYS 13 1HZ LYS 13 -1.851 -14.908 -15.388
123 HZ3 LYS 13 2HZ LYS 13 -2.123 -15.245 -17.023
124 H LEU 14 H LEU 14 -2.632 -8.313 -14.254
125 HA LEU 14 HA LEU 14 -4.861 -8.984 -15.897
126 HB2 LEU 14 2HB LEU 14 -4.597 -7.563 -13.262
127 HB3 LEU 14 3HB LEU 14 -6.155 -7.818 -14.046
128 HG LEU 14 HG LEU 14 -4.270 -9.969 -13.083
129 HD11 LEU 14 1HD1 LEU 14 -6.283 -10.444 -11.587
130 HD12 LEU 14 2HD1 LEU 14 -6.824 -8.819 -12.008
131 HD13 LEU 14 3HD1 LEU 14 -5.281 -9.050 -11.185
132 HD21 LEU 14 3HD2 LEU 14 -6.967 -10.147 -14.422
133 HD22 LEU 14 1HD2 LEU 14 -6.135 -11.495 -13.646
134 HD23 LEU 14 2HD2 LEU 14 -5.425 -10.718 -15.062
135 H THR 15 H THR 15 -3.461 -5.910 -14.801
136 HA THR 15 HA THR 15 -5.278 -4.142 -15.887
137 HB THR 15 HB THR 15 -3.566 -2.466 -15.859
138 HG1 THR 15 HG1 THR 15 -1.364 -3.035 -15.734
139 HG21 THR 15 3HG2 THR 15 -2.295 -3.606 -13.642
140 HG22 THR 15 1HG2 THR 15 -3.901 -4.331 -13.683
141 HG23 THR 15 2HG2 THR 15 -3.727 -2.577 -13.637
142 H HIS 16 H HIS 16 -2.663 -5.877 -17.478
143 HA HIS 16 HA HIS 16 -3.086 -4.503 -19.992
144 HB2 HIS 16 2HB HIS 16 -0.851 -5.463 -19.032
145 HB3 HIS 16 3HB HIS 16 -1.427 -6.985 -19.704
146 HD1 HIS 16 HD1 HIS 16 -0.139 -3.623 -20.693
147 HD2 HIS 16 HD2 HIS 16 -1.416 -7.138 -22.503
148 HE1 HIS 16 HE1 HIS 16 0.553 -3.428 -23.103
149 H ARG 17 H ARG 17 -4.067 -7.451 -18.438
150 HA ARG 17 HA ARG 17 -5.237 -8.447 -20.938
151 HB2 ARG 17 2HB ARG 17 -4.461 -9.720 -18.349
152 HB3 ARG 17 3HB ARG 17 -5.742 -10.457 -19.302
153 HG2 ARG 17 2HG ARG 17 -3.820 -11.569 -19.984
154 HG3 ARG 17 3HG ARG 17 -4.083 -10.368 -21.250
155 HD2 ARG 17 2HD ARG 17 -2.485 -8.873 -19.997
156 HD3 ARG 17 3HD ARG 17 -2.104 -10.265 -18.984
157 HE ARG 17 HE ARG 17 -1.824 -10.769 -21.801
158 HH11 ARG 17 1HH1 ARG 17 -0.258 -9.564 -18.935
159 HH12 ARG 17 2HH1 ARG 17 1.343 -9.866 -19.525
160 HH21 ARG 17 1HH2 ARG 17 0.278 -11.171 -22.589
161 HH22 ARG 17 2HH2 ARG 17 1.647 -10.779 -21.604
162 H LEU 18 H LEU 18 -6.451 -9.170 -17.733
163 HA LEU 18 HA LEU 18 -8.950 -7.762 -18.407
164 HB2 LEU 18 2HB LEU 18 -10.135 -9.540 -17.149
165 HB3 LEU 18 3HB LEU 18 -9.349 -10.103 -18.623
166 HG LEU 18 HG LEU 18 -7.662 -10.423 -16.276
167 HD11 LEU 18 1HD1 LEU 18 -9.926 -10.680 -15.248
168 HD12 LEU 18 2HD1 LEU 18 -8.906 -12.116 -15.154
169 HD13 LEU 18 3HD1 LEU 18 -10.205 -12.033 -16.345
170 HD21 LEU 18 3HD2 LEU 18 -7.375 -11.439 -18.551
171 HD22 LEU 18 1HD2 LEU 18 -8.760 -12.470 -18.192
172 HD23 LEU 18 2HD2 LEU 18 -7.300 -12.582 -17.209
173 H PHE 19 H PHE 19 -7.953 -5.980 -17.205
174 HA PHE 19 HA PHE 19 -7.115 -5.987 -14.595
175 HB2 PHE 19 2HB PHE 19 -7.221 -4.022 -16.212
176 HB3 PHE 19 3HB PHE 19 -8.898 -3.826 -15.713
177 HD1 PHE 19 HD1 PHE 19 -5.900 -4.693 -13.693
178 HD2 PHE 19 HD2 PHE 19 -8.956 -1.847 -14.516
179 HE1 PHE 19 HE1 PHE 19 -5.163 -3.350 -11.767
180 HE2 PHE 19 HE2 PHE 19 -8.224 -0.500 -12.592
181 HZ PHE 19 HZ PHE 19 -6.325 -1.250 -11.215
182 H ARG 20 H ARG 20 -10.425 -5.012 -15.494
183 HA ARG 20 HA ARG 20 -11.337 -6.016 -12.887
184 HB2 ARG 20 2HB ARG 20 -13.356 -4.593 -13.329
185 HB3 ARG 20 3HB ARG 20 -11.850 -3.698 -13.173
186 HG2 ARG 20 2HG ARG 20 -11.718 -3.350 -15.520
187 HG3 ARG 20 3HG ARG 20 -13.043 -4.476 -15.820
188 HD2 ARG 20 2HD ARG 20 -13.972 -2.517 -13.997
189 HD3 ARG 20 3HD ARG 20 -13.155 -1.675 -15.312
190 HE ARG 20 HE ARG 20 -14.835 -3.600 -16.434
191 HH11 ARG 20 1HH1 ARG 20 -15.063 -0.655 -14.591
192 HH12 ARG 20 2HH1 ARG 20 -16.606 -0.213 -15.243
193 HH21 ARG 20 1HH2 ARG 20 -16.867 -3.029 -17.299
194 HH22 ARG 20 2HH2 ARG 20 -17.631 -1.564 -16.783
195 H ARG 21 H ARG 21 -11.679 -6.407 -16.315
196 HA ARG 21 HA ARG 21 -14.130 -7.668 -16.535
197 HB2 ARG 21 2HB ARG 21 -11.572 -7.804 -18.053
198 HB3 ARG 21 3HB ARG 21 -12.782 -9.038 -18.380
199 HG2 ARG 21 2HG ARG 21 -14.296 -7.518 -19.234
200 HG3 ARG 21 3HG ARG 21 -13.549 -6.153 -18.400
201 HD2 ARG 21 2HD ARG 21 -11.606 -6.316 -19.877
202 HD3 ARG 21 3HD ARG 21 -12.348 -7.684 -20.705
203 HE ARG 21 HE ARG 21 -14.098 -5.481 -20.776
204 HH11 ARG 21 1HH1 ARG 21 -11.081 -6.579 -22.122
205 HH12 ARG 21 2HH1 ARG 21 -11.252 -5.666 -23.585
206 HH21 ARG 21 1HH2 ARG 21 -14.334 -4.275 -22.697
207 HH22 ARG 21 2HH2 ARG 21 -13.102 -4.355 -23.910
Start of MODEL 6
1 H1 LYS 1 H LYS 1 2.407 -2.248 1.184
2 HA LYS 1 HA LYS 1 1.700 -0.501 -0.097
3 HB2 LYS 1 2HB LYS 1 4.177 -1.032 -1.737
4 HB3 LYS 1 3HB LYS 1 3.344 0.501 -1.520
5 HG2 LYS 1 2HG LYS 1 3.960 -0.180 1.051
6 HG3 LYS 1 3HG LYS 1 5.347 -0.803 0.154
7 HD2 LYS 1 2HD LYS 1 6.017 1.277 -0.524
8 HD3 LYS 1 3HD LYS 1 4.379 1.935 -0.489
9 HE2 LYS 1 2HE LYS 1 4.788 1.360 2.138
10 HE3 LYS 1 3HE LYS 1 6.415 1.806 1.624
11 HZ1 LYS 1 3HZ LYS 1 3.967 3.442 1.646
12 HZ2 LYS 1 1HZ LYS 1 5.217 3.814 0.568
13 HZ3 LYS 1 2HZ LYS 1 5.509 3.816 2.234
14 H TYR 2 H TYR 2 -0.141 -1.120 -1.108
15 HA TYR 2 HA TYR 2 0.144 -2.376 -3.759
16 HB2 TYR 2 2HB TYR 2 -1.159 -3.496 -1.695
17 HB3 TYR 2 3HB TYR 2 -2.467 -2.519 -2.352
18 HD1 TYR 2 HD2 TYR 2 -1.787 -2.691 -5.264
19 HD2 TYR 2 HD1 TYR 2 -1.857 -5.673 -2.230
20 HE1 TYR 2 HE2 TYR 2 -2.218 -4.409 -6.971
21 HE2 TYR 2 HE1 TYR 2 -2.287 -7.400 -3.929
22 HH TYR 2 HH TYR 2 -2.424 -6.587 -7.380
23 H GLU 3 H GLU 3 0.363 0.404 -3.379
24 HA GLU 3 HA GLU 3 -2.183 1.399 -4.473
25 HB2 GLU 3 2HB GLU 3 0.040 3.039 -3.253
26 HB3 GLU 3 3HB GLU 3 -1.567 3.595 -3.700
27 HG2 GLU 3 2HG GLU 3 -2.168 1.597 -1.969
28 HG3 GLU 3 3HG GLU 3 -0.653 2.194 -1.295
29 H ILE 4 H ILE 4 1.285 2.213 -4.694
30 HA ILE 4 HA ILE 4 0.945 2.435 -7.612
31 HB ILE 4 HB ILE 4 2.869 4.143 -6.053
32 HG12 ILE 4 2HG1 ILE 4 0.640 4.667 -5.221
33 HG13 ILE 4 3HG1 ILE 4 1.217 5.976 -6.246
34 HG21 ILE 4 1HG2 ILE 4 2.559 3.634 -8.759
35 HG22 ILE 4 2HG2 ILE 4 1.780 5.197 -8.519
36 HG23 ILE 4 3HG2 ILE 4 3.460 4.966 -8.036
37 HD11 ILE 4 3HD1 ILE 4 -1.174 4.470 -6.457
38 HD12 ILE 4 1HD1 ILE 4 -0.624 5.818 -7.451
39 HD13 ILE 4 2HD1 ILE 4 -0.195 4.165 -7.891
40 H THR 5 H THR 5 2.129 0.452 -5.498
41 HA THR 5 HA THR 5 4.732 0.098 -6.835
42 HB THR 5 HB THR 5 3.840 -0.556 -4.041
43 HG1 THR 5 HG1 THR 5 6.012 0.437 -3.719
44 HG21 THR 5 3HG2 THR 5 6.203 -1.736 -5.504
45 HG22 THR 5 1HG2 THR 5 4.816 -2.615 -4.861
46 HG23 THR 5 2HG2 THR 5 5.948 -1.827 -3.762
47 H THR 6 H THR 6 2.272 -1.880 -5.165
48 HA THR 6 HA THR 6 2.913 -4.140 -6.877
49 HB THR 6 HB THR 6 0.925 -3.921 -4.608
50 HG1 THR 6 HG1 THR 6 3.535 -5.067 -4.730
51 HG21 THR 6 3HG2 THR 6 1.889 -6.289 -6.209
52 HG22 THR 6 1HG2 THR 6 0.238 -5.684 -6.082
53 HG23 THR 6 2HG2 THR 6 1.018 -6.423 -4.682
54 H ILE 7 H ILE 7 0.662 -1.583 -6.761
55 HA ILE 7 HA ILE 7 -1.581 -2.796 -7.959
56 HB ILE 7 HB ILE 7 -1.029 -0.287 -6.995
57 HG12 ILE 7 2HG1 ILE 7 -3.209 -1.486 -7.061
58 HG13 ILE 7 3HG1 ILE 7 -3.344 0.211 -7.509
59 HG21 ILE 7 1HG2 ILE 7 -1.370 1.299 -8.780
60 HG22 ILE 7 2HG2 ILE 7 0.038 0.302 -9.144
61 HG23 ILE 7 3HG2 ILE 7 -1.495 -0.005 -9.960
62 HD11 ILE 7 3HD1 ILE 7 -3.253 -2.103 -9.430
63 HD12 ILE 7 1HD1 ILE 7 -4.701 -1.225 -8.936
64 HD13 ILE 7 2HD1 ILE 7 -3.440 -0.401 -9.854
65 H HIS 8 H HIS 8 1.401 -1.533 -9.265
66 HA HIS 8 HA HIS 8 0.435 -2.104 -11.988
67 HB2 HIS 8 2HB HIS 8 1.924 0.097 -10.897
68 HB3 HIS 8 3HB HIS 8 2.900 -0.723 -12.112
69 HD1 HIS 8 HD1 HIS 8 -0.566 0.796 -11.776
70 HD2 HIS 8 HD2 HIS 8 2.308 -0.014 -14.665
71 HE1 HIS 8 HE1 HIS 8 -1.434 1.832 -13.897
72 H ASN 9 H ASN 9 2.052 -3.561 -9.603
73 HA ASN 9 HA ASN 9 4.059 -4.784 -11.374
74 HB2 ASN 9 2HB ASN 9 5.376 -4.257 -9.608
75 HB3 ASN 9 3HB ASN 9 4.011 -4.131 -8.501
76 HD21 ASN 9 1HD2 ASN 9 4.368 -5.432 -6.858
77 HD22 ASN 9 2HD2 ASN 9 4.911 -7.069 -6.957
78 H LEU 10 H LEU 10 1.393 -5.457 -9.183
79 HA LEU 10 HA LEU 10 1.524 -8.302 -9.897
80 HB2 LEU 10 2HB LEU 10 1.480 -7.963 -7.541
81 HB3 LEU 10 3HB LEU 10 0.130 -6.837 -7.669
82 HG LEU 10 HG LEU 10 -1.381 -8.630 -8.210
83 HD11 LEU 10 1HD1 LEU 10 -0.066 -10.998 -7.811
84 HD12 LEU 10 2HD1 LEU 10 1.100 -10.065 -8.748
85 HD13 LEU 10 3HD1 LEU 10 -0.526 -10.330 -9.377
86 HD21 LEU 10 3HD2 LEU 10 -0.208 -10.092 -6.044
87 HD22 LEU 10 1HD2 LEU 10 -1.625 -9.042 -6.044
88 HD23 LEU 10 2HD2 LEU 10 -0.023 -8.360 -5.765
89 H PHE 11 H PHE 11 0.061 -5.538 -10.906
90 HA PHE 11 HA PHE 11 -2.329 -6.994 -11.830
91 HB2 PHE 11 2HB PHE 11 -2.249 -4.661 -10.298
92 HB3 PHE 11 3HB PHE 11 -2.603 -4.106 -11.931
93 HD1 PHE 11 HD2 PHE 11 -3.745 -6.329 -9.216
94 HD2 PHE 11 HD1 PHE 11 -4.722 -4.447 -12.907
95 HE1 PHE 11 HE2 PHE 11 -6.101 -6.973 -8.917
96 HE2 PHE 11 HE1 PHE 11 -7.080 -5.087 -12.613
97 HZ PHE 11 HZ PHE 11 -7.771 -6.353 -10.617
98 H ARG 12 H ARG 12 0.560 -5.668 -12.752
99 HA ARG 12 HA ARG 12 0.141 -4.245 -15.059
100 HB2 ARG 12 2HB ARG 12 2.298 -5.393 -15.870
101 HB3 ARG 12 3HB ARG 12 2.370 -4.454 -14.385
102 HG2 ARG 12 2HG ARG 12 2.947 -6.227 -13.171
103 HG3 ARG 12 3HG ARG 12 1.707 -7.242 -13.910
104 HD2 ARG 12 2HD ARG 12 3.132 -8.094 -15.438
105 HD3 ARG 12 3HD ARG 12 3.991 -6.568 -15.640
106 HE ARG 12 HE ARG 12 4.544 -7.733 -13.109
107 HH11 ARG 12 1HH1 ARG 12 5.302 -7.975 -16.498
108 HH12 ARG 12 2HH1 ARG 12 6.866 -8.671 -16.232
109 HH21 ARG 12 1HH2 ARG 12 6.601 -8.648 -12.746
110 HH22 ARG 12 2HH2 ARG 12 7.604 -9.054 -14.097
111 H LYS 13 H LYS 13 -0.117 -7.714 -14.571
112 HA LYS 13 HA LYS 13 -0.290 -8.475 -17.279
113 HB2 LYS 13 2HB LYS 13 -1.503 -9.810 -14.851
114 HB3 LYS 13 3HB LYS 13 -1.287 -10.557 -16.429
115 HG2 LYS 13 2HG LYS 13 1.048 -10.601 -16.211
116 HG3 LYS 13 3HG LYS 13 1.026 -9.467 -14.858
117 HD2 LYS 13 2HD LYS 13 -0.380 -11.311 -13.681
118 HD3 LYS 13 3HD LYS 13 0.307 -12.373 -14.912
119 HE2 LYS 13 2HE LYS 13 2.550 -11.777 -14.211
120 HE3 LYS 13 3HE LYS 13 1.905 -10.628 -13.040
121 HZ1 LYS 13 3HZ LYS 13 2.395 -12.531 -11.811
122 HZ2 LYS 13 1HZ LYS 13 1.765 -13.580 -12.979
123 HZ3 LYS 13 2HZ LYS 13 0.723 -12.627 -12.049
124 H LEU 14 H LEU 14 -2.755 -7.553 -14.913
125 HA LEU 14 HA LEU 14 -4.933 -7.989 -16.732
126 HB2 LEU 14 2HB LEU 14 -4.781 -6.576 -14.076
127 HB3 LEU 14 3HB LEU 14 -6.274 -6.842 -14.973
128 HG LEU 14 HG LEU 14 -4.502 -8.940 -13.729
129 HD11 LEU 14 1HD1 LEU 14 -6.939 -9.352 -12.717
130 HD12 LEU 14 2HD1 LEU 14 -7.036 -7.613 -12.988
131 HD13 LEU 14 3HD1 LEU 14 -5.758 -8.275 -11.970
132 HD21 LEU 14 3HD2 LEU 14 -6.204 -10.545 -14.512
133 HD22 LEU 14 1HD2 LEU 14 -5.333 -9.776 -15.839
134 HD23 LEU 14 2HD2 LEU 14 -6.968 -9.252 -15.437
135 H THR 15 H THR 15 -3.293 -5.129 -15.406
136 HA THR 15 HA THR 15 -4.788 -3.127 -16.562
137 HB THR 15 HB THR 15 -2.898 -1.674 -16.349
138 HG1 THR 15 HG1 THR 15 -1.174 -2.644 -17.225
139 HG21 THR 15 3HG2 THR 15 -1.934 -3.053 -14.103
140 HG22 THR 15 1HG2 THR 15 -3.621 -3.535 -14.277
141 HG23 THR 15 2HG2 THR 15 -3.201 -1.827 -14.146
142 H HIS 16 H HIS 16 -2.266 -5.105 -18.024
143 HA HIS 16 HA HIS 16 -2.385 -3.633 -20.520
144 HB2 HIS 16 2HB HIS 16 -0.351 -4.932 -19.353
145 HB3 HIS 16 3HB HIS 16 -0.967 -6.240 -20.358
146 HD1 HIS 16 HD1 HIS 16 -0.215 -6.255 -22.729
147 HD2 HIS 16 HD2 HIS 16 0.352 -2.554 -20.927
148 HE1 HIS 16 HE1 HIS 16 1.044 -4.874 -24.411
149 H ARG 17 H ARG 17 -3.732 -6.498 -19.110
150 HA ARG 17 HA ARG 17 -4.760 -7.383 -21.709
151 HB2 ARG 17 2HB ARG 17 -4.641 -8.730 -19.011
152 HB3 ARG 17 3HB ARG 17 -5.512 -9.404 -20.382
153 HG2 ARG 17 2HG ARG 17 -3.507 -9.665 -21.632
154 HG3 ARG 17 3HG ARG 17 -2.582 -8.736 -20.452
155 HD2 ARG 17 2HD ARG 17 -2.047 -10.707 -19.549
156 HD3 ARG 17 3HD ARG 17 -3.697 -10.732 -18.927
157 HE ARG 17 HE ARG 17 -4.212 -12.375 -20.441
158 HH11 ARG 17 1HH1 ARG 17 -1.168 -10.922 -21.304
159 HH12 ARG 17 2HH1 ARG 17 -0.804 -12.097 -22.524
160 HH21 ARG 17 1HH2 ARG 17 -3.744 -13.929 -22.045
161 HH22 ARG 17 2HH2 ARG 17 -2.271 -13.806 -22.945
162 H LEU 18 H LEU 18 -6.343 -7.964 -18.639
163 HA LEU 18 HA LEU 18 -8.611 -6.313 -19.539
164 HB2 LEU 18 2HB LEU 18 -10.088 -7.970 -18.429
165 HB3 LEU 18 3HB LEU 18 -9.227 -8.596 -19.834
166 HG LEU 18 HG LEU 18 -7.995 -9.071 -17.180
167 HD11 LEU 18 1HD1 LEU 18 -9.957 -11.109 -17.878
168 HD12 LEU 18 2HD1 LEU 18 -10.680 -9.571 -17.410
169 HD13 LEU 18 3HD1 LEU 18 -9.570 -10.392 -16.313
170 HD21 LEU 18 3HD2 LEU 18 -6.786 -9.997 -18.925
171 HD22 LEU 18 1HD2 LEU 18 -8.235 -10.466 -19.816
172 HD23 LEU 18 2HD2 LEU 18 -7.760 -11.360 -18.372
173 H PHE 19 H PHE 19 -7.527 -4.662 -18.209
174 HA PHE 19 HA PHE 19 -7.002 -4.799 -15.514
175 HB2 PHE 19 2HB PHE 19 -6.653 -2.835 -17.116
176 HB3 PHE 19 3HB PHE 19 -8.324 -2.399 -16.773
177 HD1 PHE 19 HD1 PHE 19 -5.662 -3.692 -14.518
178 HD2 PHE 19 HD2 PHE 19 -8.239 -0.458 -15.525
179 HE1 PHE 19 HE1 PHE 19 -4.928 -2.485 -12.504
180 HE2 PHE 19 HE2 PHE 19 -7.508 0.755 -13.514
181 HZ PHE 19 HZ PHE 19 -5.850 -0.258 -12.000
182 H ARG 20 H ARG 20 -10.099 -4.540 -17.125
183 HA ARG 20 HA ARG 20 -11.746 -3.736 -15.063
184 HB2 ARG 20 2HB ARG 20 -12.206 -5.650 -17.341
185 HB3 ARG 20 3HB ARG 20 -13.486 -5.232 -16.211
186 HG2 ARG 20 2HG ARG 20 -13.863 -3.286 -17.214
187 HG3 ARG 20 3HG ARG 20 -12.145 -2.884 -17.248
188 HD2 ARG 20 2HD ARG 20 -11.907 -4.405 -19.212
189 HD3 ARG 20 3HD ARG 20 -13.660 -4.591 -19.216
190 HE ARG 20 HE ARG 20 -12.157 -2.341 -20.168
191 HH11 ARG 20 1HH1 ARG 20 -15.219 -3.380 -18.876
192 HH12 ARG 20 2HH1 ARG 20 -16.108 -2.071 -19.580
193 HH21 ARG 20 1HH2 ARG 20 -13.317 -0.613 -21.101
194 HH22 ARG 20 2HH2 ARG 20 -15.026 -0.498 -20.847
195 H ARG 21 H ARG 21 -10.309 -6.884 -15.647
196 HA ARG 21 HA ARG 21 -11.458 -7.816 -13.097
197 HB2 ARG 21 2HB ARG 21 -11.543 -9.011 -15.696
198 HB3 ARG 21 3HB ARG 21 -10.592 -10.038 -14.632
199 HG2 ARG 21 2HG ARG 21 -12.432 -10.822 -13.692
200 HG3 ARG 21 3HG ARG 21 -12.937 -9.190 -13.248
201 HD2 ARG 21 2HD ARG 21 -14.327 -8.989 -15.031
202 HD3 ARG 21 3HD ARG 21 -13.304 -9.974 -16.076
203 HE ARG 21 HE ARG 21 -14.473 -11.839 -15.419
204 HH11 ARG 21 1HH1 ARG 21 -15.256 -9.172 -13.323
205 HH12 ARG 21 2HH1 ARG 21 -16.563 -10.000 -12.542
206 HH21 ARG 21 1HH2 ARG 21 -16.191 -12.939 -14.399
207 HH22 ARG 21 2HH2 ARG 21 -17.093 -12.143 -13.155
Start of MODEL 7
1 H1 LYS 1 H LYS 1 2.449 -2.238 -0.080
2 HA LYS 1 HA LYS 1 1.747 0.505 -0.839
3 HB2 LYS 1 2HB LYS 1 4.198 -0.987 -1.793
4 HB3 LYS 1 3HB LYS 1 3.617 0.524 -2.481
5 HG2 LYS 1 2HG LYS 1 4.546 1.740 -0.864
6 HG3 LYS 1 3HG LYS 1 3.965 0.657 0.404
7 HD2 LYS 1 2HD LYS 1 5.891 -0.527 0.456
8 HD3 LYS 1 3HD LYS 1 6.140 -0.397 -1.287
9 HE2 LYS 1 2HE LYS 1 7.400 1.456 -1.091
10 HE3 LYS 1 3HE LYS 1 6.381 2.134 0.178
11 HZ1 LYS 1 3HZ LYS 1 7.463 0.302 1.616
12 HZ2 LYS 1 1HZ LYS 1 8.338 1.710 1.282
13 HZ3 LYS 1 2HZ LYS 1 8.661 0.290 0.422
14 H TYR 2 H TYR 2 -0.242 -0.334 -1.560
15 HA TYR 2 HA TYR 2 -0.049 -1.976 -4.000
16 HB2 TYR 2 2HB TYR 2 -1.276 -2.812 -1.774
17 HB3 TYR 2 3HB TYR 2 -2.605 -1.901 -2.483
18 HD1 TYR 2 HD2 TYR 2 -2.032 -2.443 -5.386
19 HD2 TYR 2 HD1 TYR 2 -2.058 -5.020 -2.001
20 HE1 TYR 2 HE2 TYR 2 -2.562 -4.348 -6.848
21 HE2 TYR 2 HE1 TYR 2 -2.587 -6.933 -3.454
22 HH TYR 2 HH TYR 2 -3.471 -7.438 -5.584
23 H GLU 3 H GLU 3 0.203 0.811 -4.053
24 HA GLU 3 HA GLU 3 -2.343 1.605 -5.309
25 HB2 GLU 3 2HB GLU 3 -0.327 3.475 -4.061
26 HB3 GLU 3 3HB GLU 3 -1.922 3.888 -4.675
27 HG2 GLU 3 2HG GLU 3 -1.440 2.042 -2.351
28 HG3 GLU 3 3HG GLU 3 -1.763 3.768 -2.197
29 H ILE 4 H ILE 4 1.175 2.116 -5.370
30 HA ILE 4 HA ILE 4 0.968 2.508 -8.284
31 HB ILE 4 HB ILE 4 1.561 4.595 -6.968
32 HG12 ILE 4 2HG1 ILE 4 3.547 3.566 -9.006
33 HG13 ILE 4 3HG1 ILE 4 2.021 4.368 -9.364
34 HG21 ILE 4 1HG2 ILE 4 3.261 2.971 -5.618
35 HG22 ILE 4 2HG2 ILE 4 4.359 3.733 -6.768
36 HG23 ILE 4 3HG2 ILE 4 3.395 4.728 -5.677
37 HD11 ILE 4 3HD1 ILE 4 3.244 6.220 -9.501
38 HD12 ILE 4 1HD1 ILE 4 3.264 6.177 -7.738
39 HD13 ILE 4 2HD1 ILE 4 4.608 5.492 -8.652
40 H THR 5 H THR 5 2.256 0.703 -5.752
41 HA THR 5 HA THR 5 4.572 -0.214 -7.280
42 HB THR 5 HB THR 5 3.664 -0.746 -4.453
43 HG1 THR 5 HG1 THR 5 5.117 0.729 -4.014
44 HG21 THR 5 3HG2 THR 5 5.956 -2.006 -5.961
45 HG22 THR 5 1HG2 THR 5 4.555 -2.834 -5.283
46 HG23 THR 5 2HG2 THR 5 5.741 -2.087 -4.213
47 H THR 6 H THR 6 2.258 -2.009 -5.263
48 HA THR 6 HA THR 6 2.449 -4.336 -6.896
49 HB THR 6 HB THR 6 0.381 -3.712 -4.780
50 HG1 THR 6 HG1 THR 6 2.822 -5.154 -4.500
51 HG21 THR 6 3HG2 THR 6 1.353 -6.365 -5.844
52 HG22 THR 6 1HG2 THR 6 -0.173 -5.601 -6.283
53 HG23 THR 6 2HG2 THR 6 0.110 -6.114 -4.619
54 H ILE 7 H ILE 7 0.418 -1.546 -6.903
55 HA ILE 7 HA ILE 7 -1.840 -2.605 -8.217
56 HB ILE 7 HB ILE 7 -0.864 0.023 -7.500
57 HG12 ILE 7 2HG1 ILE 7 -2.869 -1.124 -6.586
58 HG13 ILE 7 3HG1 ILE 7 -3.232 0.475 -7.226
59 HG21 ILE 7 1HG2 ILE 7 -0.630 0.402 -9.866
60 HG22 ILE 7 2HG2 ILE 7 -2.239 -0.251 -10.167
61 HG23 ILE 7 3HG2 ILE 7 -2.054 1.264 -9.284
62 HD11 ILE 7 3HD1 ILE 7 -4.350 -0.385 -9.070
63 HD12 ILE 7 1HD1 ILE 7 -3.613 -1.978 -8.894
64 HD13 ILE 7 2HD1 ILE 7 -4.841 -1.442 -7.746
65 H HIS 8 H HIS 8 1.294 -1.619 -9.354
66 HA HIS 8 HA HIS 8 0.420 -2.090 -12.129
67 HB2 HIS 8 2HB HIS 8 1.971 0.028 -10.965
68 HB3 HIS 8 3HB HIS 8 2.961 -0.846 -12.130
69 HD1 HIS 8 HD1 HIS 8 2.496 -0.445 -14.572
70 HD2 HIS 8 HD2 HIS 8 -0.404 1.197 -12.092
71 HE1 HIS 8 HE1 HIS 8 1.048 0.963 -16.071
72 H ASN 9 H ASN 9 1.891 -3.590 -9.651
73 HA ASN 9 HA ASN 9 3.892 -4.936 -11.333
74 HB2 ASN 9 2HB ASN 9 5.094 -4.354 -9.472
75 HB3 ASN 9 3HB ASN 9 3.684 -4.391 -8.417
76 HD21 ASN 9 1HD2 ASN 9 4.208 -5.747 -6.845
77 HD22 ASN 9 2HD2 ASN 9 4.783 -7.361 -7.063
78 H LEU 10 H LEU 10 1.102 -5.470 -9.258
79 HA LEU 10 HA LEU 10 1.098 -8.309 -10.022
80 HB2 LEU 10 2HB LEU 10 1.075 -7.953 -7.639
81 HB3 LEU 10 3HB LEU 10 -0.299 -6.858 -7.781
82 HG LEU 10 HG LEU 10 -1.769 -8.664 -8.328
83 HD11 LEU 10 1HD1 LEU 10 0.662 -10.448 -8.293
84 HD12 LEU 10 2HD1 LEU 10 -0.236 -9.953 -9.728
85 HD13 LEU 10 3HD1 LEU 10 -1.009 -10.970 -8.512
86 HD21 LEU 10 3HD2 LEU 10 -1.969 -9.084 -6.161
87 HD22 LEU 10 1HD2 LEU 10 -0.327 -8.497 -5.895
88 HD23 LEU 10 2HD2 LEU 10 -0.608 -10.204 -6.239
89 H PHE 11 H PHE 11 -0.174 -5.464 -11.008
90 HA PHE 11 HA PHE 11 -2.654 -6.748 -11.950
91 HB2 PHE 11 2HB PHE 11 -2.382 -4.392 -10.420
92 HB3 PHE 11 3HB PHE 11 -2.825 -3.877 -12.045
93 HD1 PHE 11 HD1 PHE 11 -3.853 -5.958 -9.180
94 HD2 PHE 11 HD2 PHE 11 -5.007 -4.213 -12.887
95 HE1 PHE 11 HE1 PHE 11 -6.201 -6.525 -8.712
96 HE2 PHE 11 HE2 PHE 11 -7.357 -4.776 -12.424
97 HZ PHE 11 HZ PHE 11 -7.956 -5.933 -10.334
98 H ARG 12 H ARG 12 0.310 -5.799 -12.891
99 HA ARG 12 HA ARG 12 -0.031 -4.252 -15.179
100 HB2 ARG 12 2HB ARG 12 2.094 -5.416 -15.966
101 HB3 ARG 12 3HB ARG 12 2.178 -4.579 -14.422
102 HG2 ARG 12 2HG ARG 12 2.269 -6.544 -13.210
103 HG3 ARG 12 3HG ARG 12 1.554 -7.498 -14.512
104 HD2 ARG 12 2HD ARG 12 3.950 -7.961 -14.234
105 HD3 ARG 12 3HD ARG 12 3.583 -7.284 -15.821
106 HE ARG 12 HE ARG 12 4.272 -5.176 -14.132
107 HH11 ARG 12 1HH1 ARG 12 5.745 -7.990 -15.555
108 HH12 ARG 12 2HH1 ARG 12 7.333 -7.298 -15.597
109 HH21 ARG 12 1HH2 ARG 12 6.357 -4.253 -14.182
110 HH22 ARG 12 2HH2 ARG 12 7.680 -5.173 -14.815
111 H LYS 13 H LYS 13 -0.460 -7.697 -14.674
112 HA LYS 13 HA LYS 13 -0.826 -8.253 -17.485
113 HB2 LYS 13 2HB LYS 13 -1.311 -10.535 -16.759
114 HB3 LYS 13 3HB LYS 13 0.162 -9.941 -16.005
115 HG2 LYS 13 2HG LYS 13 -0.679 -10.129 -13.946
116 HG3 LYS 13 3HG LYS 13 -2.241 -9.459 -14.419
117 HD2 LYS 13 2HD LYS 13 -2.929 -11.576 -13.990
118 HD3 LYS 13 3HD LYS 13 -2.395 -11.831 -15.653
119 HE2 LYS 13 2HE LYS 13 -0.576 -13.034 -15.026
120 HE3 LYS 13 3HE LYS 13 -0.344 -12.114 -13.541
121 HZ1 LYS 13 3HZ LYS 13 -2.699 -13.841 -13.732
122 HZ2 LYS 13 1HZ LYS 13 -1.758 -13.444 -12.383
123 HZ3 LYS 13 2HZ LYS 13 -1.195 -14.581 -13.502
124 H LEU 14 H LEU 14 -2.722 -6.914 -15.089
125 HA LEU 14 HA LEU 14 -5.226 -7.925 -16.236
126 HB2 LEU 14 2HB LEU 14 -4.603 -6.453 -13.689
127 HB3 LEU 14 3HB LEU 14 -6.249 -6.700 -14.269
128 HG LEU 14 HG LEU 14 -4.298 -8.874 -13.510
129 HD11 LEU 14 1HD1 LEU 14 -5.938 -9.259 -11.670
130 HD12 LEU 14 2HD1 LEU 14 -6.710 -7.737 -12.112
131 HD13 LEU 14 3HD1 LEU 14 -5.040 -7.746 -11.543
132 HD21 LEU 14 3HD2 LEU 14 -5.666 -9.791 -15.175
133 HD22 LEU 14 1HD2 LEU 14 -7.093 -8.924 -14.606
134 HD23 LEU 14 2HD2 LEU 14 -6.439 -10.262 -13.660
135 H THR 15 H THR 15 -3.439 -4.954 -15.588
136 HA THR 15 HA THR 15 -5.409 -3.153 -16.511
137 HB THR 15 HB THR 15 -3.736 -1.471 -16.484
138 HG1 THR 15 HG1 THR 15 -1.685 -1.853 -16.961
139 HG21 THR 15 3HG2 THR 15 -2.323 -2.835 -14.405
140 HG22 THR 15 1HG2 THR 15 -4.027 -3.284 -14.336
141 HG23 THR 15 2HG2 THR 15 -3.558 -1.585 -14.267
142 H HIS 16 H HIS 16 -2.730 -4.800 -18.127
143 HA HIS 16 HA HIS 16 -3.168 -3.484 -20.639
144 HB2 HIS 16 2HB HIS 16 -0.963 -4.451 -19.836
145 HB3 HIS 16 3HB HIS 16 -1.632 -6.043 -20.182
146 HD1 HIS 16 HD1 HIS 16 -0.120 -3.079 -21.794
147 HD2 HIS 16 HD2 HIS 16 -2.041 -6.576 -22.955
148 HE1 HIS 16 HE1 HIS 16 0.343 -3.316 -24.254
149 H ARG 17 H ARG 17 -4.424 -6.280 -19.052
150 HA ARG 17 HA ARG 17 -5.546 -7.339 -21.535
151 HB2 ARG 17 2HB ARG 17 -5.222 -8.402 -18.755
152 HB3 ARG 17 3HB ARG 17 -6.444 -9.099 -19.809
153 HG2 ARG 17 2HG ARG 17 -4.443 -10.410 -19.947
154 HG3 ARG 17 3HG ARG 17 -4.684 -9.567 -21.479
155 HD2 ARG 17 2HD ARG 17 -2.796 -8.378 -21.254
156 HD3 ARG 17 3HD ARG 17 -3.087 -8.069 -19.542
157 HE ARG 17 HE ARG 17 -2.359 -10.670 -19.577
158 HH11 ARG 17 1HH1 ARG 17 -0.941 -7.779 -20.901
159 HH12 ARG 17 2HH1 ARG 17 0.686 -8.359 -20.768
160 HH21 ARG 17 1HH2 ARG 17 -0.221 -11.445 -19.397
161 HH22 ARG 17 2HH2 ARG 17 1.094 -10.445 -19.913
162 H LEU 18 H LEU 18 -7.187 -7.679 -18.485
163 HA LEU 18 HA LEU 18 -9.344 -5.927 -19.465
164 HB2 LEU 18 2HB LEU 18 -10.936 -7.497 -18.378
165 HB3 LEU 18 3HB LEU 18 -10.084 -8.168 -19.767
166 HG LEU 18 HG LEU 18 -8.986 -8.705 -17.054
167 HD11 LEU 18 1HD1 LEU 18 -11.530 -9.055 -17.063
168 HD12 LEU 18 2HD1 LEU 18 -10.506 -10.386 -16.526
169 HD13 LEU 18 3HD1 LEU 18 -11.197 -10.405 -18.148
170 HD21 LEU 18 3HD2 LEU 18 -7.698 -10.018 -18.295
171 HD22 LEU 18 1HD2 LEU 18 -8.639 -9.639 -19.738
172 HD23 LEU 18 2HD2 LEU 18 -9.119 -10.982 -18.700
173 H PHE 19 H PHE 19 -8.173 -4.345 -18.106
174 HA PHE 19 HA PHE 19 -7.769 -4.515 -15.386
175 HB2 PHE 19 2HB PHE 19 -7.197 -2.600 -17.005
176 HB3 PHE 19 3HB PHE 19 -8.822 -2.007 -16.679
177 HD1 PHE 19 HD2 PHE 19 -6.036 -3.387 -14.609
178 HD2 PHE 19 HD1 PHE 19 -8.853 -0.254 -15.213
179 HE1 PHE 19 HE2 PHE 19 -5.213 -2.261 -12.582
180 HE2 PHE 19 HE1 PHE 19 -8.034 0.878 -13.188
181 HZ PHE 19 HZ PHE 19 -6.213 -0.126 -11.868
182 H ARG 20 H ARG 20 -10.752 -4.186 -17.129
183 HA ARG 20 HA ARG 20 -12.466 -3.115 -15.266
184 HB2 ARG 20 2HB ARG 20 -14.206 -4.674 -16.312
185 HB3 ARG 20 3HB ARG 20 -13.365 -3.567 -17.389
186 HG2 ARG 20 2HG ARG 20 -12.591 -5.241 -18.616
187 HG3 ARG 20 3HG ARG 20 -11.949 -6.064 -17.193
188 HD2 ARG 20 2HD ARG 20 -13.692 -7.471 -17.077
189 HD3 ARG 20 3HD ARG 20 -14.860 -6.199 -17.433
190 HE ARG 20 HE ARG 20 -13.572 -6.696 -19.807
191 HH11 ARG 20 1HH1 ARG 20 -15.442 -8.547 -17.527
192 HH12 ARG 20 2HH1 ARG 20 -16.063 -9.637 -18.723
193 HH21 ARG 20 1HH2 ARG 20 -14.383 -8.125 -21.390
194 HH22 ARG 20 2HH2 ARG 20 -15.459 -9.396 -20.919
195 H ARG 21 H ARG 21 -11.041 -6.307 -15.337
196 HA ARG 21 HA ARG 21 -12.715 -7.313 -13.207
197 HB2 ARG 21 2HB ARG 21 -11.606 -9.367 -13.484
198 HB3 ARG 21 3HB ARG 21 -11.702 -8.696 -15.107
199 HG2 ARG 21 2HG ARG 21 -9.534 -9.322 -15.144
200 HG3 ARG 21 3HG ARG 21 -9.318 -7.734 -14.406
201 HD2 ARG 21 2HD ARG 21 -8.224 -8.841 -12.796
202 HD3 ARG 21 3HD ARG 21 -9.828 -9.305 -12.233
203 HE ARG 21 HE ARG 21 -8.772 -11.083 -14.218
204 HH11 ARG 21 1HH1 ARG 21 -8.807 -10.308 -10.825
205 HH12 ARG 21 2HH1 ARG 21 -8.402 -11.915 -10.320
206 HH21 ARG 21 1HH2 ARG 21 -8.238 -13.203 -13.567
207 HH22 ARG 21 2HH2 ARG 21 -8.078 -13.560 -11.880
Start of MODEL 8
1 H1 LYS 1 H LYS 1 2.043 0.175 0.678
2 HA LYS 1 HA LYS 1 2.247 1.058 -1.415
3 HB2 LYS 1 2HB LYS 1 4.706 -0.699 -1.356
4 HB3 LYS 1 3HB LYS 1 4.413 0.563 -2.545
5 HG2 LYS 1 2HG LYS 1 4.712 2.264 -1.011
6 HG3 LYS 1 3HG LYS 1 4.378 1.216 0.369
7 HD2 LYS 1 2HD LYS 1 6.536 -0.031 -0.469
8 HD3 LYS 1 3HD LYS 1 6.880 1.528 -1.223
9 HE2 LYS 1 2HE LYS 1 6.197 1.208 1.692
10 HE3 LYS 1 3HE LYS 1 7.849 1.191 1.077
11 HZ1 LYS 1 3HZ LYS 1 7.562 3.384 1.645
12 HZ2 LYS 1 1HZ LYS 1 5.935 3.421 1.186
13 HZ3 LYS 1 2HZ LYS 1 7.146 3.423 0.006
14 H TYR 2 H TYR 2 0.413 -0.952 -1.417
15 HA TYR 2 HA TYR 2 0.965 -2.406 -3.919
16 HB2 TYR 2 2HB TYR 2 0.607 -3.876 -1.965
17 HB3 TYR 2 3HB TYR 2 -0.975 -3.146 -1.718
18 HD1 TYR 2 HD1 TYR 2 0.324 -3.840 -5.078
19 HD2 TYR 2 HD2 TYR 2 -2.158 -5.245 -1.921
20 HE1 TYR 2 HE1 TYR 2 -0.671 -5.493 -6.604
21 HE2 TYR 2 HE2 TYR 2 -3.159 -6.902 -3.438
22 HH TYR 2 HH TYR 2 -2.140 -7.135 -6.835
23 H GLU 3 H GLU 3 -0.021 0.329 -3.668
24 HA GLU 3 HA GLU 3 -2.762 0.030 -4.693
25 HB2 GLU 3 2HB GLU 3 -1.343 2.461 -3.592
26 HB3 GLU 3 3HB GLU 3 -2.970 2.471 -4.257
27 HG2 GLU 3 2HG GLU 3 -2.650 0.447 -2.214
28 HG3 GLU 3 3HG GLU 3 -2.263 2.061 -1.620
29 H ILE 4 H ILE 4 0.121 2.058 -5.250
30 HA ILE 4 HA ILE 4 -0.461 1.917 -8.134
31 HB ILE 4 HB ILE 4 0.639 4.320 -6.673
32 HG12 ILE 4 2HG1 ILE 4 -1.766 3.938 -6.241
33 HG13 ILE 4 3HG1 ILE 4 -1.486 5.396 -7.186
34 HG21 ILE 4 1HG2 ILE 4 1.579 4.416 -8.790
35 HG22 ILE 4 2HG2 ILE 4 0.163 3.701 -9.560
36 HG23 ILE 4 3HG2 ILE 4 0.104 5.364 -8.978
37 HD11 ILE 4 3HD1 ILE 4 -3.392 4.186 -8.036
38 HD12 ILE 4 1HD1 ILE 4 -2.086 4.170 -9.221
39 HD13 ILE 4 2HD1 ILE 4 -2.409 2.737 -8.246
40 H THR 5 H THR 5 1.628 1.041 -5.778
41 HA THR 5 HA THR 5 4.044 1.419 -7.399
42 HB THR 5 HB THR 5 3.615 0.732 -4.504
43 HG1 THR 5 HG1 THR 5 5.224 2.680 -5.829
44 HG21 THR 5 3HG2 THR 5 6.085 0.286 -6.164
45 HG22 THR 5 1HG2 THR 5 5.271 -0.847 -5.086
46 HG23 THR 5 2HG2 THR 5 6.154 0.526 -4.418
47 H THR 6 H THR 6 2.868 -1.194 -5.276
48 HA THR 6 HA THR 6 4.171 -3.185 -6.893
49 HB THR 6 HB THR 6 2.228 -3.657 -4.629
50 HG1 THR 6 HG1 THR 6 3.748 -2.947 -3.352
51 HG21 THR 6 3HG2 THR 6 4.511 -5.456 -5.107
52 HG22 THR 6 1HG2 THR 6 3.271 -5.462 -6.360
53 HG23 THR 6 2HG2 THR 6 2.839 -5.831 -4.690
54 H ILE 7 H ILE 7 1.006 -1.812 -6.666
55 HA ILE 7 HA ILE 7 -0.531 -3.895 -7.744
56 HB ILE 7 HB ILE 7 -0.957 -1.180 -7.043
57 HG12 ILE 7 2HG1 ILE 7 -2.845 -3.390 -7.881
58 HG13 ILE 7 3HG1 ILE 7 -2.286 -3.055 -6.246
59 HG21 ILE 7 1HG2 ILE 7 -0.787 -0.653 -9.421
60 HG22 ILE 7 2HG2 ILE 7 -2.020 -1.859 -9.782
61 HG23 ILE 7 3HG2 ILE 7 -2.435 -0.429 -8.836
62 HD11 ILE 7 3HD1 ILE 7 -4.009 -1.248 -7.925
63 HD12 ILE 7 1HD1 ILE 7 -4.555 -2.264 -6.591
64 HD13 ILE 7 2HD1 ILE 7 -3.456 -0.918 -6.284
65 H HIS 8 H HIS 8 1.630 -1.612 -9.229
66 HA HIS 8 HA HIS 8 0.684 -2.158 -11.911
67 HB2 HIS 8 2HB HIS 8 2.315 -0.159 -10.650
68 HB3 HIS 8 3HB HIS 8 3.198 -0.862 -12.002
69 HD1 HIS 8 HD1 HIS 8 2.994 1.120 -13.566
70 HD2 HIS 8 HD2 HIS 8 -0.675 -0.228 -12.156
71 HE1 HIS 8 HE1 HIS 8 1.263 2.332 -14.930
72 H ASN 9 H ASN 9 2.420 -3.900 -9.782
73 HA ASN 9 HA ASN 9 4.053 -5.139 -11.900
74 HB2 ASN 9 2HB ASN 9 4.686 -5.106 -8.941
75 HB3 ASN 9 3HB ASN 9 5.697 -5.754 -10.229
76 HD21 ASN 9 1HD2 ASN 9 5.635 -3.371 -8.166
77 HD22 ASN 9 2HD2 ASN 9 6.314 -2.082 -9.095
78 H LEU 10 H LEU 10 1.835 -5.584 -9.259
79 HA LEU 10 HA LEU 10 1.911 -8.495 -9.612
80 HB2 LEU 10 2HB LEU 10 2.090 -7.888 -7.336
81 HB3 LEU 10 3HB LEU 10 0.778 -6.719 -7.470
82 HG LEU 10 HG LEU 10 -0.836 -8.532 -7.680
83 HD11 LEU 10 1HD1 LEU 10 0.772 -10.745 -6.878
84 HD12 LEU 10 2HD1 LEU 10 1.439 -10.056 -8.357
85 HD13 LEU 10 3HD1 LEU 10 -0.246 -10.572 -8.307
86 HD21 LEU 10 3HD2 LEU 10 0.396 -7.725 -5.410
87 HD22 LEU 10 1HD2 LEU 10 0.665 -9.466 -5.332
88 HD23 LEU 10 2HD2 LEU 10 -0.976 -8.833 -5.456
89 H PHE 11 H PHE 11 0.220 -5.810 -10.661
90 HA PHE 11 HA PHE 11 -2.136 -7.459 -11.303
91 HB2 PHE 11 2HB PHE 11 -2.125 -5.138 -9.791
92 HB3 PHE 11 3HB PHE 11 -2.602 -4.579 -11.391
93 HD1 PHE 11 HD1 PHE 11 -3.515 -6.683 -8.541
94 HD2 PHE 11 HD2 PHE 11 -4.697 -5.247 -12.369
95 HE1 PHE 11 HE1 PHE 11 -5.811 -7.464 -8.122
96 HE2 PHE 11 HE2 PHE 11 -6.994 -6.025 -11.956
97 HZ PHE 11 HZ PHE 11 -7.554 -7.134 -9.830
98 H ARG 12 H ARG 12 0.538 -5.957 -12.528
99 HA ARG 12 HA ARG 12 -0.226 -4.618 -14.805
100 HB2 ARG 12 2HB ARG 12 1.941 -5.580 -15.799
101 HB3 ARG 12 3HB ARG 12 2.068 -4.616 -14.334
102 HG2 ARG 12 2HG ARG 12 2.960 -6.301 -13.200
103 HG3 ARG 12 3HG ARG 12 1.698 -7.416 -13.727
104 HD2 ARG 12 2HD ARG 12 2.985 -8.291 -15.341
105 HD3 ARG 12 3HD ARG 12 3.603 -6.713 -15.828
106 HE ARG 12 HE ARG 12 4.882 -8.594 -14.114
107 HH11 ARG 12 1HH1 ARG 12 4.480 -5.189 -14.718
108 HH12 ARG 12 2HH1 ARG 12 6.001 -4.751 -14.013
109 HH21 ARG 12 1HH2 ARG 12 6.887 -8.031 -13.183
110 HH22 ARG 12 2HH2 ARG 12 7.370 -6.369 -13.141
111 H LYS 13 H LYS 13 -0.046 -8.094 -14.266
112 HA LYS 13 HA LYS 13 -0.401 -8.956 -16.904
113 HB2 LYS 13 2HB LYS 13 -1.275 -11.055 -15.873
114 HB3 LYS 13 3HB LYS 13 0.264 -10.522 -15.208
115 HG2 LYS 13 2HG LYS 13 -0.992 -9.501 -13.312
116 HG3 LYS 13 3HG LYS 13 -2.457 -10.248 -13.953
117 HD2 LYS 13 2HD LYS 13 -1.937 -12.202 -13.022
118 HD3 LYS 13 3HD LYS 13 -0.337 -12.187 -13.769
119 HE2 LYS 13 2HE LYS 13 0.285 -10.533 -11.898
120 HE3 LYS 13 3HE LYS 13 -1.187 -11.094 -11.106
121 HZ1 LYS 13 3HZ LYS 13 -0.108 -12.877 -10.402
122 HZ2 LYS 13 1HZ LYS 13 1.320 -12.302 -11.103
123 HZ3 LYS 13 2HZ LYS 13 0.294 -13.316 -11.985
124 H LEU 14 H LEU 14 -2.786 -8.217 -14.385
125 HA LEU 14 HA LEU 14 -5.030 -8.838 -16.049
126 HB2 LEU 14 2HB LEU 14 -4.791 -7.363 -13.435
127 HB3 LEU 14 3HB LEU 14 -6.327 -7.701 -14.229
128 HG LEU 14 HG LEU 14 -4.385 -9.766 -13.193
129 HD11 LEU 14 1HD1 LEU 14 -6.955 -8.647 -12.116
130 HD12 LEU 14 2HD1 LEU 14 -5.388 -8.772 -11.318
131 HD13 LEU 14 3HD1 LEU 14 -6.336 -10.225 -11.631
132 HD21 LEU 14 3HD2 LEU 14 -5.617 -10.530 -15.165
133 HD22 LEU 14 1HD2 LEU 14 -7.136 -10.083 -14.389
134 HD23 LEU 14 2HD2 LEU 14 -6.144 -11.372 -13.707
135 H THR 15 H THR 15 -3.525 -5.824 -14.922
136 HA THR 15 HA THR 15 -5.234 -3.965 -15.999
137 HB THR 15 HB THR 15 -3.423 -2.391 -16.022
138 HG1 THR 15 HG1 THR 15 -1.861 -4.713 -16.305
139 HG21 THR 15 3HG2 THR 15 -2.186 -3.554 -13.812
140 HG22 THR 15 1HG2 THR 15 -3.813 -4.233 -13.824
141 HG23 THR 15 2HG2 THR 15 -3.587 -2.484 -13.797
142 H HIS 16 H HIS 16 -2.742 -5.835 -17.640
143 HA HIS 16 HA HIS 16 -3.219 -4.464 -20.157
144 HB2 HIS 16 2HB HIS 16 -0.982 -5.594 -19.118
145 HB3 HIS 16 3HB HIS 16 -1.559 -6.909 -20.137
146 HD1 HIS 16 HD1 HIS 16 0.171 -6.738 -21.964
147 HD2 HIS 16 HD2 HIS 16 -1.749 -3.130 -21.217
148 HE1 HIS 16 HE1 HIS 16 0.895 -5.195 -23.813
149 H ARG 17 H ARG 17 -4.141 -7.380 -18.526
150 HA ARG 17 HA ARG 17 -5.332 -8.457 -20.982
151 HB2 ARG 17 2HB ARG 17 -4.784 -9.692 -18.283
152 HB3 ARG 17 3HB ARG 17 -5.733 -10.494 -19.527
153 HG2 ARG 17 2HG ARG 17 -2.876 -9.599 -19.843
154 HG3 ARG 17 3HG ARG 17 -3.395 -11.245 -19.476
155 HD2 ARG 17 2HD ARG 17 -4.877 -10.423 -21.720
156 HD3 ARG 17 3HD ARG 17 -3.213 -9.919 -22.012
157 HE ARG 17 HE ARG 17 -3.434 -12.624 -21.082
158 HH11 ARG 17 1HH1 ARG 17 -3.548 -10.552 -23.877
159 HH12 ARG 17 2HH1 ARG 17 -3.124 -11.810 -24.990
160 HH21 ARG 17 1HH2 ARG 17 -2.875 -14.290 -22.537
161 HH22 ARG 17 2HH2 ARG 17 -2.742 -13.936 -24.226
162 H LEU 18 H LEU 18 -6.511 -9.075 -17.740
163 HA LEU 18 HA LEU 18 -9.021 -7.696 -18.432
164 HB2 LEU 18 2HB LEU 18 -10.192 -9.448 -17.121
165 HB3 LEU 18 3HB LEU 18 -9.423 -10.040 -18.592
166 HG LEU 18 HG LEU 18 -7.680 -10.320 -16.297
167 HD11 LEU 18 1HD1 LEU 18 -10.253 -11.878 -16.182
168 HD12 LEU 18 2HD1 LEU 18 -9.910 -10.479 -15.166
169 HD13 LEU 18 3HD1 LEU 18 -8.908 -11.925 -15.043
170 HD21 LEU 18 3HD2 LEU 18 -7.505 -11.437 -18.527
171 HD22 LEU 18 1HD2 LEU 18 -8.913 -12.404 -18.089
172 HD23 LEU 18 2HD2 LEU 18 -7.427 -12.535 -17.149
173 H PHE 19 H PHE 19 -7.988 -5.892 -17.277
174 HA PHE 19 HA PHE 19 -7.166 -5.872 -14.652
175 HB2 PHE 19 2HB PHE 19 -7.186 -3.947 -16.335
176 HB3 PHE 19 3HB PHE 19 -8.851 -3.667 -15.833
177 HD1 PHE 19 HD1 PHE 19 -5.835 -4.580 -13.851
178 HD2 PHE 19 HD2 PHE 19 -8.864 -1.695 -14.638
179 HE1 PHE 19 HE1 PHE 19 -5.031 -3.226 -11.960
180 HE2 PHE 19 HE2 PHE 19 -8.064 -0.335 -12.750
181 HZ PHE 19 HZ PHE 19 -6.145 -1.100 -11.408
182 H ARG 20 H ARG 20 -10.422 -4.798 -15.632
183 HA ARG 20 HA ARG 20 -11.438 -5.907 -13.097
184 HB2 ARG 20 2HB ARG 20 -13.134 -4.144 -13.114
185 HB3 ARG 20 3HB ARG 20 -11.515 -3.460 -13.132
186 HG2 ARG 20 2HG ARG 20 -11.844 -3.373 -15.698
187 HG3 ARG 20 3HG ARG 20 -13.558 -3.534 -15.308
188 HD2 ARG 20 2HD ARG 20 -12.969 -1.594 -13.604
189 HD3 ARG 20 3HD ARG 20 -11.681 -1.294 -14.770
190 HE ARG 20 HE ARG 20 -14.473 -0.766 -15.112
191 HH11 ARG 20 1HH1 ARG 20 -11.513 -1.540 -16.774
192 HH12 ARG 20 2HH1 ARG 20 -12.018 -0.834 -18.274
193 HH21 ARG 20 1HH2 ARG 20 -15.149 0.166 -17.081
194 HH22 ARG 20 2HH2 ARG 20 -14.086 0.137 -18.447
195 H ARG 21 H ARG 21 -11.954 -5.524 -16.536
196 HA ARG 21 HA ARG 21 -14.531 -6.776 -16.563
197 HB2 ARG 21 2HB ARG 21 -14.302 -6.742 -18.991
198 HB3 ARG 21 3HB ARG 21 -13.850 -5.186 -18.307
199 HG2 ARG 21 2HG ARG 21 -11.488 -5.775 -18.528
200 HG3 ARG 21 3HG ARG 21 -11.946 -7.332 -19.221
201 HD2 ARG 21 2HD ARG 21 -13.166 -5.005 -20.524
202 HD3 ARG 21 3HD ARG 21 -11.409 -5.080 -20.655
203 HE ARG 21 HE ARG 21 -13.301 -6.749 -21.987
204 HH11 ARG 21 1HH1 ARG 21 -10.091 -6.664 -20.642
205 HH12 ARG 21 2HH1 ARG 21 -9.485 -7.917 -21.674
206 HH21 ARG 21 1HH2 ARG 21 -12.515 -8.399 -23.352
207 HH22 ARG 21 2HH2 ARG 21 -10.864 -8.903 -23.216
Start of MODEL 9
1 H1 LYS 1 H LYS 1 2.017 -0.393 1.362
2 HA LYS 1 HA LYS 1 1.939 0.867 -0.600
3 HB2 LYS 1 2HB LYS 1 4.192 -1.114 -0.962
4 HB3 LYS 1 3HB LYS 1 3.995 0.336 -1.938
5 HG2 LYS 1 2HG LYS 1 4.303 1.740 -0.018
6 HG3 LYS 1 3HG LYS 1 4.317 0.339 1.055
7 HD2 LYS 1 2HD LYS 1 6.542 0.393 0.838
8 HD3 LYS 1 3HD LYS 1 6.279 -0.265 -0.779
9 HE2 LYS 1 2HE LYS 1 6.086 2.113 -1.588
10 HE3 LYS 1 3HE LYS 1 6.639 2.620 0.008
11 HZ1 LYS 1 3HZ LYS 1 8.338 2.310 -1.897
12 HZ2 LYS 1 1HZ LYS 1 8.214 0.664 -1.524
13 HZ3 LYS 1 2HZ LYS 1 8.727 1.763 -0.344
14 H TYR 2 H TYR 2 -0.187 -0.268 -1.173
15 HA TYR 2 HA TYR 2 0.161 -1.704 -3.723
16 HB2 TYR 2 2HB TYR 2 -1.016 -2.772 -1.545
17 HB3 TYR 2 3HB TYR 2 -2.410 -1.983 -2.276
18 HD1 TYR 2 HD2 TYR 2 -2.041 -2.335 -5.111
19 HD2 TYR 2 HD1 TYR 2 -1.167 -5.043 -1.948
20 HE1 TYR 2 HE2 TYR 2 -2.300 -4.224 -6.664
21 HE2 TYR 2 HE1 TYR 2 -1.422 -6.939 -3.493
22 HH TYR 2 HH TYR 2 -2.888 -6.718 -6.448
23 H GLU 3 H GLU 3 0.172 1.075 -3.616
24 HA GLU 3 HA GLU 3 -2.489 1.791 -4.655
25 HB2 GLU 3 2HB GLU 3 -0.352 3.710 -3.730
26 HB3 GLU 3 3HB GLU 3 -2.037 4.069 -4.078
27 HG2 GLU 3 2HG GLU 3 -2.760 2.835 -2.155
28 HG3 GLU 3 3HG GLU 3 -1.118 2.270 -1.850
29 H ILE 4 H ILE 4 0.863 2.925 -5.113
30 HA ILE 4 HA ILE 4 0.413 2.777 -8.021
31 HB ILE 4 HB ILE 4 2.164 4.864 -6.747
32 HG12 ILE 4 2HG1 ILE 4 -0.087 5.199 -5.862
33 HG13 ILE 4 3HG1 ILE 4 0.298 6.457 -7.032
34 HG21 ILE 4 1HG2 ILE 4 1.840 4.026 -9.357
35 HG22 ILE 4 2HG2 ILE 4 0.845 5.478 -9.259
36 HG23 ILE 4 3HG2 ILE 4 2.555 5.550 -8.832
37 HD11 ILE 4 3HD1 ILE 4 -1.620 5.988 -8.026
38 HD12 ILE 4 1HD1 ILE 4 -0.920 4.445 -8.516
39 HD13 ILE 4 2HD1 ILE 4 -1.855 4.555 -7.024
40 H THR 5 H THR 5 1.837 1.112 -5.844
41 HA THR 5 HA THR 5 4.440 0.947 -7.219
42 HB THR 5 HB THR 5 3.731 0.519 -4.331
43 HG1 THR 5 HG1 THR 5 5.933 1.847 -5.558
44 HG21 THR 5 3HG2 THR 5 6.169 -0.540 -5.764
45 HG22 THR 5 1HG2 THR 5 4.916 -1.497 -4.976
46 HG23 THR 5 2HG2 THR 5 5.978 -0.470 -4.013
47 H THR 6 H THR 6 2.226 -1.070 -5.276
48 HA THR 6 HA THR 6 3.088 -3.431 -6.754
49 HB THR 6 HB THR 6 1.203 -3.176 -4.402
50 HG1 THR 6 HG1 THR 6 2.934 -3.537 -3.193
51 HG21 THR 6 3HG2 THR 6 2.301 -5.594 -5.832
52 HG22 THR 6 1HG2 THR 6 0.609 -5.141 -5.634
53 HG23 THR 6 2HG2 THR 6 1.554 -5.655 -4.236
54 H ILE 7 H ILE 7 0.570 -1.140 -6.793
55 HA ILE 7 HA ILE 7 -1.571 -2.719 -7.724
56 HB ILE 7 HB ILE 7 -1.312 -0.099 -7.033
57 HG12 ILE 7 2HG1 ILE 7 -3.595 -0.943 -8.788
58 HG13 ILE 7 3HG1 ILE 7 -3.339 -1.736 -7.237
59 HG21 ILE 7 1HG2 ILE 7 -1.746 -0.139 -10.017
60 HG22 ILE 7 2HG2 ILE 7 -1.839 1.273 -8.965
61 HG23 ILE 7 3HG2 ILE 7 -0.298 0.449 -9.202
62 HD11 ILE 7 3HD1 ILE 7 -3.708 0.255 -6.047
63 HD12 ILE 7 1HD1 ILE 7 -3.572 1.243 -7.501
64 HD13 ILE 7 2HD1 ILE 7 -4.969 0.190 -7.277
65 H HIS 8 H HIS 8 1.181 -1.279 -9.325
66 HA HIS 8 HA HIS 8 0.172 -2.256 -11.913
67 HB2 HIS 8 2HB HIS 8 1.453 0.197 -11.143
68 HB3 HIS 8 3HB HIS 8 2.461 -0.644 -12.317
69 HD1 HIS 8 HD1 HIS 8 1.971 0.105 -14.608
70 HD2 HIS 8 HD2 HIS 8 -1.434 0.134 -12.228
71 HE1 HIS 8 HE1 HIS 8 0.113 0.908 -16.101
72 H ASN 9 H ASN 9 2.051 -3.251 -9.478
73 HA ASN 9 HA ASN 9 4.096 -4.450 -11.221
74 HB2 ASN 9 2HB ASN 9 5.427 -3.591 -9.602
75 HB3 ASN 9 3HB ASN 9 4.109 -3.482 -8.439
76 HD21 ASN 9 1HD2 ASN 9 4.684 -4.541 -6.687
77 HD22 ASN 9 2HD2 ASN 9 5.399 -6.113 -6.638
78 H LEU 10 H LEU 10 1.624 -5.146 -8.821
79 HA LEU 10 HA LEU 10 2.049 -8.025 -9.207
80 HB2 LEU 10 2HB LEU 10 2.027 -7.409 -6.909
81 HB3 LEU 10 3HB LEU 10 0.560 -6.454 -7.117
82 HG LEU 10 HG LEU 10 -0.761 -8.451 -7.386
83 HD11 LEU 10 1HD1 LEU 10 1.851 -9.672 -7.827
84 HD12 LEU 10 2HD1 LEU 10 0.251 -10.184 -8.363
85 HD13 LEU 10 3HD1 LEU 10 0.811 -10.598 -6.743
86 HD21 LEU 10 3HD2 LEU 10 0.602 -9.500 -5.099
87 HD22 LEU 10 1HD2 LEU 10 -0.912 -8.598 -5.178
88 HD23 LEU 10 2HD2 LEU 10 0.621 -7.737 -5.041
89 H PHE 11 H PHE 11 0.252 -5.581 -10.476
90 HA PHE 11 HA PHE 11 -1.976 -7.396 -11.129
91 HB2 PHE 11 2HB PHE 11 -2.130 -4.905 -9.882
92 HB3 PHE 11 3HB PHE 11 -2.583 -4.589 -11.554
93 HD1 PHE 11 HD2 PHE 11 -3.415 -6.542 -8.543
94 HD2 PHE 11 HD1 PHE 11 -4.657 -5.322 -12.427
95 HE1 PHE 11 HE2 PHE 11 -5.674 -7.404 -8.087
96 HE2 PHE 11 HE1 PHE 11 -6.919 -6.181 -11.977
97 HZ PHE 11 HZ PHE 11 -7.429 -7.224 -9.805
98 H ARG 12 H ARG 12 0.714 -5.877 -12.313
99 HA ARG 12 HA ARG 12 0.075 -4.797 -14.751
100 HB2 ARG 12 2HB ARG 12 2.328 -5.789 -15.508
101 HB3 ARG 12 3HB ARG 12 2.330 -4.677 -14.146
102 HG2 ARG 12 2HG ARG 12 3.164 -6.213 -12.774
103 HG3 ARG 12 3HG ARG 12 1.997 -7.428 -13.301
104 HD2 ARG 12 2HD ARG 12 4.493 -6.667 -14.812
105 HD3 ARG 12 3HD ARG 12 4.354 -8.061 -13.742
106 HE ARG 12 HE ARG 12 2.307 -8.331 -15.548
107 HH11 ARG 12 1HH1 ARG 12 5.773 -8.054 -15.717
108 HH12 ARG 12 2HH1 ARG 12 5.908 -8.998 -17.163
109 HH21 ARG 12 1HH2 ARG 12 2.472 -9.575 -17.452
110 HH22 ARG 12 2HH2 ARG 12 4.030 -9.862 -18.150
111 H LYS 13 H LYS 13 0.264 -8.196 -13.866
112 HA LYS 13 HA LYS 13 0.095 -9.287 -16.455
113 HB2 LYS 13 2HB LYS 13 0.765 -10.669 -14.598
114 HB3 LYS 13 3HB LYS 13 -0.764 -10.388 -13.776
115 HG2 LYS 13 2HG LYS 13 -0.650 -12.610 -14.797
116 HG3 LYS 13 3HG LYS 13 -1.949 -11.630 -15.480
117 HD2 LYS 13 2HD LYS 13 -1.081 -11.792 -17.525
118 HD3 LYS 13 3HD LYS 13 0.499 -11.250 -16.954
119 HE2 LYS 13 2HE LYS 13 0.708 -13.445 -17.934
120 HE3 LYS 13 3HE LYS 13 0.975 -13.552 -16.195
121 HZ1 LYS 13 3HZ LYS 13 -0.462 -15.330 -17.110
122 HZ2 LYS 13 1HZ LYS 13 -1.614 -14.159 -17.513
123 HZ3 LYS 13 2HZ LYS 13 -1.209 -14.424 -15.892
124 H LEU 14 H LEU 14 -2.424 -8.527 -14.068
125 HA LEU 14 HA LEU 14 -4.574 -9.380 -15.732
126 HB2 LEU 14 2HB LEU 14 -4.521 -7.592 -13.307
127 HB3 LEU 14 3HB LEU 14 -5.992 -8.173 -14.084
128 HG LEU 14 HG LEU 14 -3.922 -9.821 -12.639
129 HD11 LEU 14 1HD1 LEU 14 -5.248 -8.940 -10.985
130 HD12 LEU 14 2HD1 LEU 14 -6.138 -10.410 -11.383
131 HD13 LEU 14 3HD1 LEU 14 -6.674 -8.855 -12.020
132 HD21 LEU 14 3HD2 LEU 14 -5.844 -11.582 -13.092
133 HD22 LEU 14 1HD2 LEU 14 -4.526 -11.330 -14.237
134 HD23 LEU 14 2HD2 LEU 14 -6.095 -10.575 -14.519
135 H THR 15 H THR 15 -3.223 -6.202 -14.908
136 HA THR 15 HA THR 15 -4.994 -4.565 -16.249
137 HB THR 15 HB THR 15 -3.286 -2.887 -16.322
138 HG1 THR 15 HG1 THR 15 -1.555 -5.113 -16.258
139 HG21 THR 15 3HG2 THR 15 -2.105 -3.801 -13.950
140 HG22 THR 15 1HG2 THR 15 -3.718 -4.512 -13.983
141 HG23 THR 15 2HG2 THR 15 -3.522 -2.763 -14.108
142 H HIS 16 H HIS 16 -2.306 -6.439 -17.536
143 HA HIS 16 HA HIS 16 -2.626 -5.341 -20.196
144 HB2 HIS 16 2HB HIS 16 -0.746 -7.237 -18.877
145 HB3 HIS 16 3HB HIS 16 -0.950 -7.372 -20.621
146 HD1 HIS 16 HD1 HIS 16 0.543 -5.226 -17.987
147 HD2 HIS 16 HD2 HIS 16 -0.014 -5.144 -22.103
148 HE1 HIS 16 HE1 HIS 16 2.035 -3.386 -18.830
149 H ARG 17 H ARG 17 -3.670 -8.114 -18.384
150 HA ARG 17 HA ARG 17 -4.721 -9.382 -20.811
151 HB2 ARG 17 2HB ARG 17 -4.062 -10.352 -18.067
152 HB3 ARG 17 3HB ARG 17 -5.318 -11.189 -18.968
153 HG2 ARG 17 2HG ARG 17 -3.117 -12.238 -19.222
154 HG3 ARG 17 3HG ARG 17 -3.771 -11.667 -20.759
155 HD2 ARG 17 2HD ARG 17 -2.385 -9.641 -20.568
156 HD3 ARG 17 3HD ARG 17 -1.706 -10.266 -19.065
157 HE ARG 17 HE ARG 17 -1.382 -12.108 -21.212
158 HH11 ARG 17 1HH1 ARG 17 -0.102 -9.179 -19.831
159 HH12 ARG 17 2HH1 ARG 17 1.489 -9.417 -20.473
160 HH21 ARG 17 1HH2 ARG 17 0.709 -12.432 -22.063
161 HH22 ARG 17 2HH2 ARG 17 1.949 -11.267 -21.744
162 H LEU 18 H LEU 18 -6.099 -9.749 -17.612
163 HA LEU 18 HA LEU 18 -8.555 -8.426 -18.563
164 HB2 LEU 18 2HB LEU 18 -9.811 -10.060 -17.184
165 HB3 LEU 18 3HB LEU 18 -8.952 -10.778 -18.545
166 HG LEU 18 HG LEU 18 -7.401 -10.835 -16.081
167 HD11 LEU 18 1HD1 LEU 18 -9.930 -12.467 -16.148
168 HD12 LEU 18 2HD1 LEU 18 -9.720 -11.014 -15.172
169 HD13 LEU 18 3HD1 LEU 18 -8.707 -12.426 -14.878
170 HD21 LEU 18 3HD2 LEU 18 -8.364 -13.078 -17.844
171 HD22 LEU 18 1HD2 LEU 18 -6.966 -13.070 -16.768
172 HD23 LEU 18 2HD2 LEU 18 -6.966 -12.070 -18.221
173 H PHE 19 H PHE 19 -7.605 -6.525 -17.509
174 HA PHE 19 HA PHE 19 -6.909 -6.255 -14.871
175 HB2 PHE 19 2HB PHE 19 -6.910 -4.476 -16.697
176 HB3 PHE 19 3HB PHE 19 -8.608 -4.217 -16.308
177 HD1 PHE 19 HD1 PHE 19 -5.720 -4.876 -14.060
178 HD2 PHE 19 HD2 PHE 19 -8.707 -2.123 -15.332
179 HE1 PHE 19 HE1 PHE 19 -5.066 -3.338 -12.254
180 HE2 PHE 19 HE2 PHE 19 -8.057 -0.580 -13.529
181 HZ PHE 19 HZ PHE 19 -6.234 -1.186 -11.987
182 H ARG 20 H ARG 20 -10.155 -5.370 -16.052
183 HA ARG 20 HA ARG 20 -11.241 -6.336 -13.488
184 HB2 ARG 20 2HB ARG 20 -13.034 -4.604 -13.808
185 HB3 ARG 20 3HB ARG 20 -11.428 -3.957 -13.499
186 HG2 ARG 20 2HG ARG 20 -11.588 -2.728 -15.328
187 HG3 ARG 20 3HG ARG 20 -11.703 -4.199 -16.297
188 HD2 ARG 20 2HD ARG 20 -13.601 -2.769 -16.746
189 HD3 ARG 20 3HD ARG 20 -14.134 -4.231 -15.918
190 HE ARG 20 HE ARG 20 -13.621 -2.068 -14.118
191 HH11 ARG 20 1HH1 ARG 20 -15.967 -3.443 -16.292
192 HH12 ARG 20 2HH1 ARG 20 -17.324 -2.729 -15.486
193 HH21 ARG 20 1HH2 ARG 20 -15.400 -1.122 -13.049
194 HH22 ARG 20 2HH2 ARG 20 -17.001 -1.409 -13.642
195 H ARG 21 H ARG 21 -11.651 -6.118 -16.956
196 HA ARG 21 HA ARG 21 -14.225 -7.294 -17.090
197 HB2 ARG 21 2HB ARG 21 -12.267 -6.308 -18.924
198 HB3 ARG 21 3HB ARG 21 -12.767 -7.910 -19.449
199 HG2 ARG 21 2HG ARG 21 -14.512 -6.940 -20.409
200 HG3 ARG 21 3HG ARG 21 -15.139 -6.633 -18.788
201 HD2 ARG 21 2HD ARG 21 -14.566 -4.439 -18.835
202 HD3 ARG 21 3HD ARG 21 -13.126 -4.726 -19.811
203 HE ARG 21 HE ARG 21 -15.536 -5.145 -21.284
204 HH11 ARG 21 1HH1 ARG 21 -13.336 -2.711 -20.120
205 HH12 ARG 21 2HH1 ARG 21 -13.733 -1.572 -21.363
206 HH21 ARG 21 1HH2 ARG 21 -16.067 -3.654 -22.926
207 HH22 ARG 21 2HH2 ARG 21 -15.287 -2.108 -22.958
Start of MODEL 10
1 H1 LYS 1 H LYS 1 2.378 -0.673 0.705
2 HA LYS 1 HA LYS 1 2.672 1.005 -1.574
3 HB2 LYS 1 2HB LYS 1 4.304 -0.774 -0.067
4 HB3 LYS 1 3HB LYS 1 4.393 -1.268 -1.753
5 HG2 LYS 1 2HG LYS 1 5.976 0.281 -1.952
6 HG3 LYS 1 3HG LYS 1 4.659 1.456 -1.915
7 HD2 LYS 1 2HD LYS 1 5.037 2.008 0.293
8 HD3 LYS 1 3HD LYS 1 5.811 0.463 0.655
9 HE2 LYS 1 2HE LYS 1 7.653 1.262 -0.961
10 HE3 LYS 1 3HE LYS 1 6.943 2.861 -0.746
11 HZ1 LYS 1 3HZ LYS 1 8.780 1.637 0.894
12 HZ2 LYS 1 1HZ LYS 1 7.325 1.572 1.755
13 HZ3 LYS 1 2HZ LYS 1 7.923 3.059 1.217
14 H TYR 2 H TYR 2 0.312 -0.835 -1.460
15 HA TYR 2 HA TYR 2 0.788 -2.310 -3.966
16 HB2 TYR 2 2HB TYR 2 0.164 -3.731 -2.039
17 HB3 TYR 2 3HB TYR 2 -1.331 -2.818 -1.866
18 HD1 TYR 2 HD1 TYR 2 0.114 -3.740 -5.127
19 HD2 TYR 2 HD2 TYR 2 -2.812 -4.674 -2.183
20 HE1 TYR 2 HE1 TYR 2 -0.991 -5.258 -6.715
21 HE2 TYR 2 HE2 TYR 2 -3.924 -6.196 -3.762
22 HH TYR 2 HH TYR 2 -3.531 -7.406 -5.741
23 H GLU 3 H GLU 3 -0.005 0.561 -3.480
24 HA GLU 3 HA GLU 3 -2.659 0.585 -4.725
25 HB2 GLU 3 2HB GLU 3 -1.035 2.817 -3.492
26 HB3 GLU 3 3HB GLU 3 -2.625 3.018 -4.216
27 HG2 GLU 3 2HG GLU 3 -2.893 0.942 -2.361
28 HG3 GLU 3 3HG GLU 3 -1.919 2.179 -1.568
29 H ILE 4 H ILE 4 0.322 2.517 -5.065
30 HA ILE 4 HA ILE 4 -0.011 2.341 -7.987
31 HB ILE 4 HB ILE 4 1.126 4.772 -6.631
32 HG12 ILE 4 2HG1 ILE 4 -1.152 4.503 -5.791
33 HG13 ILE 4 3HG1 ILE 4 -1.075 5.849 -6.922
34 HG21 ILE 4 1HG2 ILE 4 1.088 3.948 -9.257
35 HG22 ILE 4 2HG2 ILE 4 -0.267 5.072 -9.166
36 HG23 ILE 4 3HG2 ILE 4 1.348 5.598 -8.693
37 HD11 ILE 4 3HD1 ILE 4 -2.731 4.947 -8.065
38 HD12 ILE 4 1HD1 ILE 4 -1.718 3.547 -8.415
39 HD13 ILE 4 2HD1 ILE 4 -2.747 3.555 -6.983
40 H THR 5 H THR 5 1.717 0.983 -5.856
41 HA THR 5 HA THR 5 4.318 1.541 -7.129
42 HB THR 5 HB THR 5 3.645 0.909 -4.278
43 HG1 THR 5 HG1 THR 5 5.645 2.620 -5.349
44 HG21 THR 5 3HG2 THR 5 6.231 0.267 -5.689
45 HG22 THR 5 1HG2 THR 5 5.206 -0.827 -4.761
46 HG23 THR 5 2HG2 THR 5 6.101 0.452 -3.940
47 H THR 6 H THR 6 2.664 -1.039 -5.295
48 HA THR 6 HA THR 6 4.090 -3.041 -6.872
49 HB THR 6 HB THR 6 2.231 -3.467 -4.526
50 HG1 THR 6 HG1 THR 6 3.879 -2.915 -3.333
51 HG21 THR 6 3HG2 THR 6 4.279 -5.303 -5.772
52 HG22 THR 6 1HG2 THR 6 2.536 -5.423 -6.007
53 HG23 THR 6 2HG2 THR 6 3.229 -5.676 -4.405
54 H ILE 7 H ILE 7 1.040 -1.514 -6.712
55 HA ILE 7 HA ILE 7 -0.643 -3.555 -7.660
56 HB ILE 7 HB ILE 7 -0.964 -0.885 -6.978
57 HG12 ILE 7 2HG1 ILE 7 -2.495 -2.864 -6.643
58 HG13 ILE 7 3HG1 ILE 7 -3.304 -1.365 -7.084
59 HG21 ILE 7 1HG2 ILE 7 -1.693 -1.280 -9.877
60 HG22 ILE 7 2HG2 ILE 7 -2.168 0.097 -8.884
61 HG23 ILE 7 3HG2 ILE 7 -0.465 -0.183 -9.245
62 HD11 ILE 7 3HD1 ILE 7 -3.650 -3.819 -8.271
63 HD12 ILE 7 1HD1 ILE 7 -4.150 -2.262 -8.929
64 HD13 ILE 7 2HD1 ILE 7 -2.600 -2.961 -9.398
65 H HIS 8 H HIS 8 1.580 -1.404 -9.291
66 HA HIS 8 HA HIS 8 0.619 -2.093 -11.928
67 HB2 HIS 8 2HB HIS 8 2.332 -0.088 -10.791
68 HB3 HIS 8 3HB HIS 8 3.178 -0.901 -12.104
69 HD1 HIS 8 HD1 HIS 8 -0.244 0.681 -11.553
70 HD2 HIS 8 HD2 HIS 8 2.631 0.188 -14.512
71 HE1 HIS 8 HE1 HIS 8 -1.101 1.957 -13.543
72 H ASN 9 H ASN 9 2.271 -3.794 -9.716
73 HA ASN 9 HA ASN 9 3.890 -5.182 -11.750
74 HB2 ASN 9 2HB ASN 9 4.496 -5.353 -8.815
75 HB3 ASN 9 3HB ASN 9 5.567 -5.627 -10.186
76 HD21 ASN 9 1HD2 ASN 9 5.864 -3.903 -7.833
77 HD22 ASN 9 2HD2 ASN 9 6.138 -2.312 -8.450
78 H LEU 10 H LEU 10 1.616 -5.456 -9.121
79 HA LEU 10 HA LEU 10 1.568 -8.373 -9.379
80 HB2 LEU 10 2HB LEU 10 1.666 -7.714 -7.126
81 HB3 LEU 10 3HB LEU 10 0.456 -6.454 -7.357
82 HG LEU 10 HG LEU 10 -1.283 -8.150 -7.585
83 HD11 LEU 10 1HD1 LEU 10 0.971 -9.886 -7.941
84 HD12 LEU 10 2HD1 LEU 10 -0.742 -10.206 -8.211
85 HD13 LEU 10 3HD1 LEU 10 -0.037 -10.466 -6.615
86 HD21 LEU 10 3HD2 LEU 10 -0.061 -9.134 -5.127
87 HD22 LEU 10 1HD2 LEU 10 -1.557 -8.231 -5.369
88 HD23 LEU 10 2HD2 LEU 10 -0.016 -7.377 -5.276
89 H PHE 11 H PHE 11 0.031 -5.678 -10.617
90 HA PHE 11 HA PHE 11 -2.366 -7.259 -11.279
91 HB2 PHE 11 2HB PHE 11 -2.318 -4.870 -9.886
92 HB3 PHE 11 3HB PHE 11 -2.684 -4.366 -11.533
93 HD1 PHE 11 HD1 PHE 11 -4.740 -5.051 -12.619
94 HD2 PHE 11 HD2 PHE 11 -3.866 -6.209 -8.617
95 HE1 PHE 11 HE1 PHE 11 -7.093 -5.695 -12.295
96 HE2 PHE 11 HE2 PHE 11 -6.217 -6.856 -8.287
97 HZ PHE 11 HZ PHE 11 -7.833 -6.600 -10.127
98 H ARG 12 H ARG 12 0.419 -5.917 -12.462
99 HA ARG 12 HA ARG 12 -0.186 -4.681 -14.837
100 HB2 ARG 12 2HB ARG 12 1.971 -5.806 -15.685
101 HB3 ARG 12 3HB ARG 12 2.083 -4.754 -14.280
102 HG2 ARG 12 2HG ARG 12 2.841 -6.401 -12.999
103 HG3 ARG 12 3HG ARG 12 1.560 -7.496 -13.523
104 HD2 ARG 12 2HD ARG 12 2.873 -8.502 -15.042
105 HD3 ARG 12 3HD ARG 12 3.615 -6.984 -15.546
106 HE ARG 12 HE ARG 12 4.672 -8.864 -13.691
107 HH11 ARG 12 1HH1 ARG 12 4.500 -5.465 -14.420
108 HH12 ARG 12 2HH1 ARG 12 5.994 -5.086 -13.629
109 HH21 ARG 12 1HH2 ARG 12 6.640 -8.379 -12.645
110 HH22 ARG 12 2HH2 ARG 12 7.211 -6.745 -12.620
111 H LYS 13 H LYS 13 -0.171 -8.134 -14.123
112 HA LYS 13 HA LYS 13 -0.458 -9.125 -16.715
113 HB2 LYS 13 2HB LYS 13 -0.121 -10.342 -14.421
114 HB3 LYS 13 3HB LYS 13 -1.879 -10.408 -14.410
115 HG2 LYS 13 2HG LYS 13 -1.586 -11.406 -16.794
116 HG3 LYS 13 3HG LYS 13 0.055 -11.750 -16.241
117 HD2 LYS 13 2HD LYS 13 -0.736 -13.107 -14.463
118 HD3 LYS 13 3HD LYS 13 -2.398 -12.560 -14.694
119 HE2 LYS 13 2HE LYS 13 -2.781 -14.091 -16.275
120 HE3 LYS 13 3HE LYS 13 -1.268 -13.727 -17.103
121 HZ1 LYS 13 3HZ LYS 13 -1.183 -15.262 -14.602
122 HZ2 LYS 13 1HZ LYS 13 -0.137 -15.313 -15.931
123 HZ3 LYS 13 2HZ LYS 13 -1.657 -16.048 -16.024
124 H LEU 14 H LEU 14 -2.970 -8.279 -14.339
125 HA LEU 14 HA LEU 14 -5.137 -8.828 -16.095
126 HB2 LEU 14 2HB LEU 14 -4.960 -7.204 -13.565
127 HB3 LEU 14 3HB LEU 14 -6.468 -7.530 -14.416
128 HG LEU 14 HG LEU 14 -4.670 -9.608 -13.167
129 HD11 LEU 14 1HD1 LEU 14 -5.680 -8.492 -11.383
130 HD12 LEU 14 2HD1 LEU 14 -6.738 -9.871 -11.682
131 HD13 LEU 14 3HD1 LEU 14 -7.195 -8.269 -12.258
132 HD21 LEU 14 3HD2 LEU 14 -6.472 -11.163 -13.660
133 HD22 LEU 14 1HD2 LEU 14 -5.871 -10.423 -15.144
134 HD23 LEU 14 2HD2 LEU 14 -7.393 -9.876 -14.440
135 H THR 15 H THR 15 -3.520 -5.831 -15.091
136 HA THR 15 HA THR 15 -5.087 -3.957 -16.347
137 HB THR 15 HB THR 15 -3.182 -2.487 -16.405
138 HG1 THR 15 HG1 THR 15 -1.510 -3.594 -17.238
139 HG21 THR 15 3HG2 THR 15 -2.124 -3.506 -14.054
140 HG22 THR 15 1HG2 THR 15 -3.762 -4.156 -14.098
141 HG23 THR 15 2HG2 THR 15 -3.502 -2.414 -14.192
142 H HIS 16 H HIS 16 -2.662 -6.074 -17.766
143 HA HIS 16 HA HIS 16 -2.939 -4.830 -20.378
144 HB2 HIS 16 2HB HIS 16 -0.859 -6.130 -19.141
145 HB3 HIS 16 3HB HIS 16 -1.474 -7.369 -20.231
146 HD1 HIS 16 HD1 HIS 16 -2.281 -5.260 -22.503
147 HD2 HIS 16 HD2 HIS 16 1.418 -5.630 -20.648
148 HE1 HIS 16 HE1 HIS 16 -0.620 -4.273 -24.112
149 H ARG 17 H ARG 17 -4.103 -7.599 -18.632
150 HA ARG 17 HA ARG 17 -5.296 -8.711 -21.070
151 HB2 ARG 17 2HB ARG 17 -4.619 -9.819 -18.383
152 HB3 ARG 17 3HB ARG 17 -5.954 -10.543 -19.270
153 HG2 ARG 17 2HG ARG 17 -3.826 -11.714 -19.629
154 HG3 ARG 17 3HG ARG 17 -4.499 -11.060 -21.123
155 HD2 ARG 17 2HD ARG 17 -2.832 -9.536 -21.367
156 HD3 ARG 17 3HD ARG 17 -2.622 -9.328 -19.629
157 HE ARG 17 HE ARG 17 -1.698 -11.829 -20.058
158 HH11 ARG 17 1HH1 ARG 17 -1.024 -8.753 -21.543
159 HH12 ARG 17 2HH1 ARG 17 0.613 -9.157 -21.940
160 HH21 ARG 17 1HH2 ARG 17 0.456 -12.372 -20.575
161 HH22 ARG 17 2HH2 ARG 17 1.454 -11.215 -21.389
162 H LEU 18 H LEU 18 -6.600 -9.094 -17.839
163 HA LEU 18 HA LEU 18 -8.999 -7.602 -18.676
164 HB2 LEU 18 2HB LEU 18 -10.309 -9.201 -17.304
165 HB3 LEU 18 3HB LEU 18 -9.541 -9.922 -18.717
166 HG LEU 18 HG LEU 18 -7.883 -10.172 -16.353
167 HD11 LEU 18 1HD1 LEU 18 -10.542 -11.576 -16.244
168 HD12 LEU 18 2HD1 LEU 18 -10.154 -10.143 -15.295
169 HD13 LEU 18 3HD1 LEU 18 -9.239 -11.631 -15.057
170 HD21 LEU 18 3HD2 LEU 18 -9.177 -12.279 -18.074
171 HD22 LEU 18 1HD2 LEU 18 -7.731 -12.440 -17.077
172 HD23 LEU 18 2HD2 LEU 18 -7.701 -11.417 -18.514
173 H PHE 19 H PHE 19 -7.896 -5.797 -17.596
174 HA PHE 19 HA PHE 19 -7.124 -5.663 -14.964
175 HB2 PHE 19 2HB PHE 19 -7.023 -3.835 -16.738
176 HB3 PHE 19 3HB PHE 19 -8.689 -3.461 -16.307
177 HD1 PHE 19 HD2 PHE 19 -5.807 -4.395 -14.148
178 HD2 PHE 19 HD1 PHE 19 -8.624 -1.403 -15.259
179 HE1 PHE 19 HE2 PHE 19 -5.007 -2.965 -12.313
180 HE2 PHE 19 HE1 PHE 19 -7.827 0.032 -13.426
181 HZ PHE 19 HZ PHE 19 -6.017 -0.748 -11.950
182 H ARG 20 H ARG 20 -10.366 -5.710 -16.281
183 HA ARG 20 HA ARG 20 -11.430 -5.670 -13.533
184 HB2 ARG 20 2HB ARG 20 -12.251 -4.226 -15.944
185 HB3 ARG 20 3HB ARG 20 -13.577 -5.064 -15.149
186 HG2 ARG 20 2HG ARG 20 -13.581 -3.667 -13.393
187 HG3 ARG 20 3HG ARG 20 -11.821 -3.535 -13.361
188 HD2 ARG 20 2HD ARG 20 -12.213 -2.192 -15.589
189 HD3 ARG 20 3HD ARG 20 -13.823 -1.960 -14.908
190 HE ARG 20 HE ARG 20 -11.919 -1.333 -12.950
191 HH11 ARG 20 1HH1 ARG 20 -13.108 -0.136 -15.995
192 HH12 ARG 20 2HH1 ARG 20 -12.735 1.518 -15.639
193 HH21 ARG 20 1HH2 ARG 20 -11.423 0.841 -12.469
194 HH22 ARG 20 2HH2 ARG 20 -11.776 2.072 -13.634
195 H ARG 21 H ARG 21 -12.827 -6.545 -16.683
196 HA ARG 21 HA ARG 21 -14.346 -8.673 -15.760
197 HB2 ARG 21 2HB ARG 21 -14.388 -9.433 -18.135
198 HB3 ARG 21 3HB ARG 21 -14.762 -7.726 -17.931
199 HG2 ARG 21 2HG ARG 21 -11.955 -8.006 -18.325
200 HG3 ARG 21 3HG ARG 21 -12.807 -8.905 -19.583
201 HD2 ARG 21 2HD ARG 21 -14.054 -6.961 -20.215
202 HD3 ARG 21 3HD ARG 21 -13.429 -6.053 -18.840
203 HE ARG 21 HE ARG 21 -11.547 -5.599 -20.052
204 HH11 ARG 21 1HH1 ARG 21 -13.208 -8.287 -21.514
205 HH12 ARG 21 2HH1 ARG 21 -12.168 -8.345 -22.899
206 HH21 ARG 21 1HH2 ARG 21 -10.170 -5.666 -21.870
207 HH22 ARG 21 2HH2 ARG 21 -10.440 -6.855 -23.099
Start of MODEL 11
1 H1 LYS 1 H LYS 1 1.329 1.271 0.049
2 HA LYS 1 HA LYS 1 2.617 1.409 -1.833
3 HB2 LYS 1 2HB LYS 1 4.312 -0.463 -2.236
4 HB3 LYS 1 3HB LYS 1 4.526 0.513 -0.788
5 HG2 LYS 1 2HG LYS 1 3.723 -1.200 0.612
6 HG3 LYS 1 3HG LYS 1 3.075 -2.115 -0.752
7 HD2 LYS 1 2HD LYS 1 5.471 -2.305 -1.573
8 HD3 LYS 1 3HD LYS 1 5.956 -1.698 0.012
9 HE2 LYS 1 2HE LYS 1 4.124 -3.728 0.546
10 HE3 LYS 1 3HE LYS 1 5.114 -4.349 -0.773
11 HZ1 LYS 1 3HZ LYS 1 7.058 -3.517 0.677
12 HZ2 LYS 1 1HZ LYS 1 6.295 -4.970 1.087
13 HZ3 LYS 1 2HZ LYS 1 5.934 -3.555 1.940
14 H TYR 2 H TYR 2 0.003 0.021 -1.617
15 HA TYR 2 HA TYR 2 0.200 -1.638 -4.046
16 HB2 TYR 2 2HB TYR 2 -0.623 -2.602 -1.704
17 HB3 TYR 2 3HB TYR 2 -2.149 -1.900 -2.231
18 HD1 TYR 2 HD2 TYR 2 -1.775 -2.408 -5.212
19 HD2 TYR 2 HD1 TYR 2 -1.214 -4.896 -1.807
20 HE1 TYR 2 HE2 TYR 2 -2.212 -4.392 -6.598
21 HE2 TYR 2 HE1 TYR 2 -1.648 -6.888 -3.183
22 HH TYR 2 HH TYR 2 -1.631 -6.854 -6.521
23 H GLU 3 H GLU 3 0.006 1.136 -4.210
24 HA GLU 3 HA GLU 3 -2.757 1.485 -5.176
25 HB2 GLU 3 2HB GLU 3 -2.331 3.962 -4.811
26 HB3 GLU 3 3HB GLU 3 -2.522 2.983 -3.363
27 HG2 GLU 3 2HG GLU 3 -0.035 2.873 -3.203
28 HG3 GLU 3 3HG GLU 3 0.043 4.031 -4.531
29 H ILE 4 H ILE 4 0.606 2.540 -5.654
30 HA ILE 4 HA ILE 4 0.030 2.741 -8.537
31 HB ILE 4 HB ILE 4 1.829 4.513 -8.610
32 HG12 ILE 4 2HG1 ILE 4 1.276 5.071 -5.735
33 HG13 ILE 4 3HG1 ILE 4 2.441 3.806 -6.113
34 HG21 ILE 4 1HG2 ILE 4 -0.864 4.852 -7.390
35 HG22 ILE 4 2HG2 ILE 4 0.209 6.247 -7.480
36 HG23 ILE 4 3HG2 ILE 4 -0.256 5.396 -8.953
37 HD11 ILE 4 3HD1 ILE 4 3.126 5.971 -7.739
38 HD12 ILE 4 1HD1 ILE 4 2.762 6.651 -6.154
39 HD13 ILE 4 2HD1 ILE 4 3.976 5.382 -6.311
40 H THR 5 H THR 5 1.805 1.244 -6.137
41 HA THR 5 HA THR 5 4.069 0.647 -7.905
42 HB THR 5 HB THR 5 3.676 0.207 -4.944
43 HG1 THR 5 HG1 THR 5 4.948 1.912 -4.766
44 HG21 THR 5 3HG2 THR 5 5.999 -0.638 -6.680
45 HG22 THR 5 1HG2 THR 5 4.866 -1.715 -5.865
46 HG23 THR 5 2HG2 THR 5 5.959 -0.704 -4.919
47 H THR 6 H THR 6 2.481 -1.325 -5.415
48 HA THR 6 HA THR 6 2.862 -3.741 -6.822
49 HB THR 6 HB THR 6 0.792 -3.293 -4.672
50 HG1 THR 6 HG1 THR 6 3.607 -3.519 -4.514
51 HG21 THR 6 3HG2 THR 6 2.451 -5.746 -4.894
52 HG22 THR 6 1HG2 THR 6 1.184 -5.510 -6.097
53 HG23 THR 6 2HG2 THR 6 0.774 -5.557 -4.382
54 H ILE 7 H ILE 7 0.292 -1.391 -6.812
55 HA ILE 7 HA ILE 7 -1.742 -3.006 -7.930
56 HB ILE 7 HB ILE 7 -1.450 -0.274 -7.181
57 HG12 ILE 7 2HG1 ILE 7 -3.919 -1.759 -8.099
58 HG13 ILE 7 3HG1 ILE 7 -3.207 -1.924 -6.497
59 HG21 ILE 7 1HG2 ILE 7 -1.159 0.235 -9.537
60 HG22 ILE 7 2HG2 ILE 7 -2.627 -0.660 -9.929
61 HG23 ILE 7 3HG2 ILE 7 -2.725 0.818 -8.972
62 HD11 ILE 7 3HD1 ILE 7 -5.174 -0.169 -7.194
63 HD12 ILE 7 1HD1 ILE 7 -4.133 -0.033 -5.777
64 HD13 ILE 7 2HD1 ILE 7 -3.728 0.839 -7.257
65 H HIS 8 H HIS 8 0.974 -1.317 -9.297
66 HA HIS 8 HA HIS 8 0.044 -2.024 -12.002
67 HB2 HIS 8 2HB HIS 8 1.188 0.388 -10.942
68 HB3 HIS 8 3HB HIS 8 2.257 -0.270 -12.178
69 HD1 HIS 8 HD1 HIS 8 0.867 -0.921 -14.504
70 HD2 HIS 8 HD2 HIS 8 -0.769 1.936 -11.969
71 HE1 HIS 8 HE1 HIS 8 -0.774 0.365 -15.910
72 H ASN 9 H ASN 9 1.932 -3.188 -9.649
73 HA ASN 9 HA ASN 9 4.045 -4.110 -11.480
74 HB2 ASN 9 2HB ASN 9 5.157 -3.110 -9.692
75 HB3 ASN 9 3HB ASN 9 3.974 -3.669 -8.513
76 HD21 ASN 9 1HD2 ASN 9 5.304 -4.703 -7.134
77 HD22 ASN 9 2HD2 ASN 9 6.259 -6.081 -7.552
78 H LEU 10 H LEU 10 1.592 -5.130 -9.184
79 HA LEU 10 HA LEU 10 2.142 -7.938 -9.858
80 HB2 LEU 10 2HB LEU 10 2.199 -7.566 -7.506
81 HB3 LEU 10 3HB LEU 10 0.680 -6.673 -7.553
82 HG LEU 10 HG LEU 10 -0.550 -8.701 -7.999
83 HD11 LEU 10 1HD1 LEU 10 1.177 -9.803 -9.375
84 HD12 LEU 10 2HD1 LEU 10 0.504 -10.865 -8.139
85 HD13 LEU 10 3HD1 LEU 10 2.096 -10.141 -7.909
86 HD21 LEU 10 3HD2 LEU 10 0.984 -8.221 -5.637
87 HD22 LEU 10 1HD2 LEU 10 0.819 -9.960 -5.881
88 HD23 LEU 10 2HD2 LEU 10 -0.619 -8.942 -5.795
89 H PHE 11 H PHE 11 0.198 -5.448 -10.774
90 HA PHE 11 HA PHE 11 -1.985 -7.275 -11.538
91 HB2 PHE 11 2HB PHE 11 -2.179 -4.946 -10.012
92 HB3 PHE 11 3HB PHE 11 -2.722 -4.468 -11.617
93 HD1 PHE 11 HD1 PHE 11 -3.326 -6.797 -8.824
94 HD2 PHE 11 HD2 PHE 11 -4.810 -5.175 -12.468
95 HE1 PHE 11 HE1 PHE 11 -5.524 -7.805 -8.373
96 HE2 PHE 11 HE2 PHE 11 -7.011 -6.179 -12.023
97 HZ PHE 11 HZ PHE 11 -7.371 -7.496 -9.973
98 H ARG 12 H ARG 12 0.588 -5.513 -12.648
99 HA ARG 12 HA ARG 12 -0.203 -4.199 -14.921
100 HB2 ARG 12 2HB ARG 12 2.052 -4.998 -15.874
101 HB3 ARG 12 3HB ARG 12 2.070 -4.043 -14.398
102 HG2 ARG 12 2HG ARG 12 2.446 -5.978 -13.060
103 HG3 ARG 12 3HG ARG 12 2.180 -7.047 -14.438
104 HD2 ARG 12 2HD ARG 12 4.586 -6.674 -13.798
105 HD3 ARG 12 3HD ARG 12 4.187 -6.347 -15.483
106 HE ARG 12 HE ARG 12 4.015 -4.001 -13.874
107 HH11 ARG 12 1HH1 ARG 12 6.243 -6.109 -15.520
108 HH12 ARG 12 2HH1 ARG 12 7.448 -4.882 -15.735
109 HH21 ARG 12 1HH2 ARG 12 5.593 -2.378 -14.150
110 HH22 ARG 12 2HH2 ARG 12 7.078 -2.761 -14.954
111 H LYS 13 H LYS 13 0.137 -7.660 -14.424
112 HA LYS 13 HA LYS 13 -0.088 -8.469 -17.111
113 HB2 LYS 13 2HB LYS 13 -0.753 -10.668 -16.168
114 HB3 LYS 13 3HB LYS 13 0.702 -10.011 -15.428
115 HG2 LYS 13 2HG LYS 13 -1.050 -9.064 -13.687
116 HG3 LYS 13 3HG LYS 13 -1.994 -10.437 -14.270
117 HD2 LYS 13 2HD LYS 13 0.330 -11.682 -13.891
118 HD3 LYS 13 3HD LYS 13 0.533 -10.382 -12.713
119 HE2 LYS 13 2HE LYS 13 -1.916 -11.089 -12.032
120 HE3 LYS 13 3HE LYS 13 -1.435 -12.617 -12.769
121 HZ1 LYS 13 3HZ LYS 13 -0.716 -12.980 -10.667
122 HZ2 LYS 13 1HZ LYS 13 -0.462 -11.342 -10.330
123 HZ3 LYS 13 2HZ LYS 13 0.668 -12.201 -11.250
124 H LEU 14 H LEU 14 -2.520 -7.925 -14.598
125 HA LEU 14 HA LEU 14 -4.708 -8.709 -16.282
126 HB2 LEU 14 2HB LEU 14 -4.603 -7.283 -13.632
127 HB3 LEU 14 3HB LEU 14 -6.099 -7.744 -14.440
128 HG LEU 14 HG LEU 14 -3.986 -9.596 -13.345
129 HD11 LEU 14 1HD1 LEU 14 -6.652 -8.663 -12.429
130 HD12 LEU 14 2HD1 LEU 14 -5.198 -9.027 -11.501
131 HD13 LEU 14 3HD1 LEU 14 -6.202 -10.340 -12.117
132 HD21 LEU 14 3HD2 LEU 14 -4.861 -10.523 -15.398
133 HD22 LEU 14 1HD2 LEU 14 -6.515 -10.215 -14.867
134 HD23 LEU 14 2HD2 LEU 14 -5.524 -11.403 -14.019
135 H THR 15 H THR 15 -3.472 -5.614 -15.047
136 HA THR 15 HA THR 15 -5.326 -3.885 -16.118
137 HB THR 15 HB THR 15 -3.677 -2.148 -16.016
138 HG1 THR 15 HG1 THR 15 -1.865 -4.300 -16.266
139 HG21 THR 15 3HG2 THR 15 -2.398 -3.304 -13.813
140 HG22 THR 15 1HG2 THR 15 -3.975 -4.088 -13.901
141 HG23 THR 15 2HG2 THR 15 -3.868 -2.330 -13.801
142 H HIS 16 H HIS 16 -2.621 -5.466 -17.722
143 HA HIS 16 HA HIS 16 -3.102 -4.045 -20.206
144 HB2 HIS 16 2HB HIS 16 -0.831 -5.019 -19.147
145 HB3 HIS 16 3HB HIS 16 -1.290 -6.396 -20.144
146 HD1 HIS 16 HD1 HIS 16 -0.100 -6.302 -22.296
147 HD2 HIS 16 HD2 HIS 16 -1.155 -2.511 -20.965
148 HE1 HIS 16 HE1 HIS 16 0.700 -4.717 -24.078
149 H ARG 17 H ARG 17 -3.904 -7.074 -18.723
150 HA ARG 17 HA ARG 17 -4.941 -8.116 -21.261
151 HB2 ARG 17 2HB ARG 17 -4.413 -9.438 -18.599
152 HB3 ARG 17 3HB ARG 17 -5.250 -10.240 -19.922
153 HG2 ARG 17 2HG ARG 17 -3.317 -10.143 -21.308
154 HG3 ARG 17 3HG ARG 17 -2.480 -9.096 -20.160
155 HD2 ARG 17 2HD ARG 17 -1.549 -11.050 -19.506
156 HD3 ARG 17 3HD ARG 17 -3.027 -11.171 -18.553
157 HE ARG 17 HE ARG 17 -3.263 -12.303 -21.181
158 HH11 ARG 17 1HH1 ARG 17 -2.263 -12.888 -17.898
159 HH12 ARG 17 2HH1 ARG 17 -2.465 -14.606 -18.005
160 HH21 ARG 17 1HH2 ARG 17 -3.534 -14.563 -21.334
161 HH22 ARG 17 2HH2 ARG 17 -3.188 -15.557 -19.959
162 H LEU 18 H LEU 18 -6.179 -8.953 -18.092
163 HA LEU 18 HA LEU 18 -8.750 -7.705 -18.811
164 HB2 LEU 18 2HB LEU 18 -9.846 -9.580 -17.613
165 HB3 LEU 18 3HB LEU 18 -8.991 -10.063 -19.076
166 HG LEU 18 HG LEU 18 -7.355 -10.314 -16.679
167 HD11 LEU 18 1HD1 LEU 18 -8.512 -12.163 -15.684
168 HD12 LEU 18 2HD1 LEU 18 -9.791 -12.073 -16.894
169 HD13 LEU 18 3HD1 LEU 18 -9.598 -10.774 -15.718
170 HD21 LEU 18 3HD2 LEU 18 -6.869 -11.239 -18.940
171 HD22 LEU 18 1HD2 LEU 18 -8.222 -12.349 -18.726
172 HD23 LEU 18 2HD2 LEU 18 -6.829 -12.441 -17.649
173 H PHE 19 H PHE 19 -7.884 -5.887 -17.552
174 HA PHE 19 HA PHE 19 -7.134 -5.913 -14.909
175 HB2 PHE 19 2HB PHE 19 -7.262 -3.926 -16.509
176 HB3 PHE 19 3HB PHE 19 -8.956 -3.797 -16.048
177 HD1 PHE 19 HD1 PHE 19 -5.963 -4.583 -13.985
178 HD2 PHE 19 HD2 PHE 19 -9.127 -1.856 -14.805
179 HE1 PHE 19 HE1 PHE 19 -5.320 -3.250 -12.018
180 HE2 PHE 19 HE2 PHE 19 -8.489 -0.519 -12.841
181 HZ PHE 19 HZ PHE 19 -6.583 -1.215 -11.445
182 H ARG 20 H ARG 20 -10.401 -5.973 -16.249
183 HA ARG 20 HA ARG 20 -11.419 -6.541 -13.542
184 HB2 ARG 20 2HB ARG 20 -12.888 -5.193 -15.817
185 HB3 ARG 20 3HB ARG 20 -13.550 -5.541 -14.225
186 HG2 ARG 20 2HG ARG 20 -12.840 -3.570 -13.524
187 HG3 ARG 20 3HG ARG 20 -11.176 -4.077 -13.822
188 HD2 ARG 20 2HD ARG 20 -11.159 -3.146 -15.972
189 HD3 ARG 20 3HD ARG 20 -12.917 -3.030 -16.029
190 HE ARG 20 HE ARG 20 -12.173 -1.412 -13.952
191 HH11 ARG 20 1HH1 ARG 20 -11.407 -1.611 -17.342
192 HH12 ARG 20 2HH1 ARG 20 -11.130 0.091 -17.513
193 HH21 ARG 20 1HH2 ARG 20 -11.811 0.830 -14.164
194 HH22 ARG 20 2HH2 ARG 20 -11.358 1.478 -15.704
195 H ARG 21 H ARG 21 -11.569 -7.315 -16.964
196 HA ARG 21 HA ARG 21 -13.639 -9.190 -16.919
197 HB2 ARG 21 2HB ARG 21 -11.368 -8.568 -18.707
198 HB3 ARG 21 3HB ARG 21 -12.024 -10.194 -18.847
199 HG2 ARG 21 2HG ARG 21 -13.768 -9.463 -20.000
200 HG3 ARG 21 3HG ARG 21 -14.144 -8.252 -18.773
201 HD2 ARG 21 2HD ARG 21 -12.912 -6.613 -19.820
202 HD3 ARG 21 3HD ARG 21 -11.867 -7.775 -20.637
203 HE ARG 21 HE ARG 21 -13.364 -7.854 -22.370
204 HH11 ARG 21 1HH1 ARG 21 -14.868 -6.340 -19.619
205 HH12 ARG 21 2HH1 ARG 21 -16.280 -5.851 -20.496
206 HH21 ARG 21 1HH2 ARG 21 -15.218 -7.215 -23.535
207 HH22 ARG 21 2HH2 ARG 21 -16.478 -6.350 -22.723
Start of MODEL 12
1 H1 LYS 1 H LYS 1 2.447 -1.040 0.490
2 HA LYS 1 HA LYS 1 2.011 1.221 -1.348
3 HB2 LYS 1 2HB LYS 1 4.440 -0.474 -0.812
4 HB3 LYS 1 3HB LYS 1 4.282 0.464 -2.292
5 HG2 LYS 1 2HG LYS 1 3.685 2.278 -0.294
6 HG3 LYS 1 3HG LYS 1 5.004 1.317 0.378
7 HD2 LYS 1 2HD LYS 1 6.103 1.692 -1.952
8 HD3 LYS 1 3HD LYS 1 4.963 3.034 -2.072
9 HE2 LYS 1 2HE LYS 1 6.681 4.146 -1.092
10 HE3 LYS 1 3HE LYS 1 5.915 3.524 0.369
11 HZ1 LYS 1 3HZ LYS 1 8.038 2.858 0.735
12 HZ2 LYS 1 1HZ LYS 1 8.416 2.715 -0.908
13 HZ3 LYS 1 2HZ LYS 1 7.511 1.510 -0.140
14 H TYR 2 H TYR 2 0.183 -0.823 -1.410
15 HA TYR 2 HA TYR 2 0.901 -2.258 -3.883
16 HB2 TYR 2 2HB TYR 2 0.615 -3.756 -1.918
17 HB3 TYR 2 3HB TYR 2 -1.038 -3.175 -1.749
18 HD1 TYR 2 HD2 TYR 2 0.569 -3.805 -5.004
19 HD2 TYR 2 HD1 TYR 2 -2.097 -5.303 -2.046
20 HE1 TYR 2 HE2 TYR 2 -0.195 -5.535 -6.577
21 HE2 TYR 2 HE1 TYR 2 -2.868 -7.038 -3.609
22 HH TYR 2 HH TYR 2 -1.567 -7.243 -6.911
23 H GLU 3 H GLU 3 -0.127 0.323 -3.961
24 HA GLU 3 HA GLU 3 -2.866 -0.144 -4.944
25 HB2 GLU 3 2HB GLU 3 -1.702 2.361 -3.717
26 HB3 GLU 3 3HB GLU 3 -3.288 2.267 -4.469
27 HG2 GLU 3 2HG GLU 3 -3.033 0.191 -2.522
28 HG3 GLU 3 3HG GLU 3 -2.602 1.740 -1.800
29 H ILE 4 H ILE 4 -0.077 2.042 -5.341
30 HA ILE 4 HA ILE 4 -0.588 2.003 -8.242
31 HB ILE 4 HB ILE 4 0.420 4.371 -6.661
32 HG12 ILE 4 2HG1 ILE 4 -1.973 3.930 -6.272
33 HG13 ILE 4 3HG1 ILE 4 -1.730 5.412 -7.190
34 HG21 ILE 4 1HG2 ILE 4 1.389 4.566 -8.763
35 HG22 ILE 4 2HG2 ILE 4 -0.008 3.867 -9.580
36 HG23 ILE 4 3HG2 ILE 4 -0.098 5.501 -8.923
37 HD11 ILE 4 3HD1 ILE 4 -2.440 2.760 -8.415
38 HD12 ILE 4 1HD1 ILE 4 -3.607 4.013 -7.994
39 HD13 ILE 4 2HD1 ILE 4 -2.378 4.328 -9.220
40 H THR 5 H THR 5 1.487 1.133 -5.849
41 HA THR 5 HA THR 5 3.907 1.582 -7.452
42 HB THR 5 HB THR 5 3.492 0.918 -4.547
43 HG1 THR 5 HG1 THR 5 3.623 3.146 -5.452
44 HG21 THR 5 3HG2 THR 5 5.983 0.579 -6.200
45 HG22 THR 5 1HG2 THR 5 5.229 -0.579 -5.105
46 HG23 THR 5 2HG2 THR 5 6.041 0.847 -4.459
47 H THR 6 H THR 6 2.865 -1.025 -5.259
48 HA THR 6 HA THR 6 4.211 -3.000 -6.856
49 HB THR 6 HB THR 6 2.399 -3.327 -4.457
50 HG1 THR 6 HG1 THR 6 5.222 -3.198 -4.781
51 HG21 THR 6 3HG2 THR 6 4.140 -5.510 -4.693
52 HG22 THR 6 1HG2 THR 6 3.468 -5.261 -6.303
53 HG23 THR 6 2HG2 THR 6 2.393 -5.506 -4.927
54 H ILE 7 H ILE 7 1.015 -1.719 -6.649
55 HA ILE 7 HA ILE 7 -0.444 -3.904 -7.671
56 HB ILE 7 HB ILE 7 -0.957 -1.118 -7.097
57 HG12 ILE 7 2HG1 ILE 7 -1.946 -3.163 -6.011
58 HG13 ILE 7 3HG1 ILE 7 -3.124 -1.950 -6.499
59 HG21 ILE 7 1HG2 ILE 7 -1.163 -0.832 -9.482
60 HG22 ILE 7 2HG2 ILE 7 -2.212 -2.244 -9.595
61 HG23 ILE 7 3HG2 ILE 7 -2.768 -0.798 -8.752
62 HD11 ILE 7 3HD1 ILE 7 -3.197 -4.643 -7.075
63 HD12 ILE 7 1HD1 ILE 7 -4.163 -3.380 -7.837
64 HD13 ILE 7 2HD1 ILE 7 -2.651 -3.903 -8.580
65 H HIS 8 H HIS 8 1.584 -1.525 -9.183
66 HA HIS 8 HA HIS 8 0.621 -2.156 -11.852
67 HB2 HIS 8 2HB HIS 8 2.058 0.013 -10.637
68 HB3 HIS 8 3HB HIS 8 2.986 -0.612 -11.997
69 HD1 HIS 8 HD1 HIS 8 0.618 -1.304 -13.881
70 HD2 HIS 8 HD2 HIS 8 1.013 2.261 -11.784
71 HE1 HIS 8 HE1 HIS 8 -0.756 0.377 -15.149
72 H ASN 9 H ASN 9 2.518 -3.722 -9.747
73 HA ASN 9 HA ASN 9 4.272 -4.783 -11.865
74 HB2 ASN 9 2HB ASN 9 4.904 -4.768 -8.909
75 HB3 ASN 9 3HB ASN 9 5.982 -5.207 -10.231
76 HD21 ASN 9 1HD2 ASN 9 5.951 -3.078 -8.058
77 HD22 ASN 9 2HD2 ASN 9 6.321 -1.620 -8.908
78 H LEU 10 H LEU 10 2.120 -5.462 -9.211
79 HA LEU 10 HA LEU 10 2.459 -8.349 -9.613
80 HB2 LEU 10 2HB LEU 10 2.625 -7.702 -7.325
81 HB3 LEU 10 3HB LEU 10 1.150 -6.743 -7.429
82 HG LEU 10 HG LEU 10 -0.182 -8.764 -7.620
83 HD11 LEU 10 1HD1 LEU 10 0.768 -10.961 -7.493
84 HD12 LEU 10 2HD1 LEU 10 2.392 -10.299 -7.305
85 HD13 LEU 10 3HD1 LEU 10 1.529 -10.098 -8.829
86 HD21 LEU 10 3HD2 LEU 10 -0.251 -8.850 -5.403
87 HD22 LEU 10 1HD2 LEU 10 1.255 -7.934 -5.356
88 HD23 LEU 10 2HD2 LEU 10 1.295 -9.697 -5.344
89 H PHE 11 H PHE 11 0.520 -5.818 -10.601
90 HA PHE 11 HA PHE 11 -1.691 -7.663 -11.226
91 HB2 PHE 11 2HB PHE 11 -1.847 -5.340 -9.701
92 HB3 PHE 11 3HB PHE 11 -2.442 -4.853 -11.284
93 HD1 PHE 11 HD1 PHE 11 -2.985 -7.103 -8.432
94 HD2 PHE 11 HD2 PHE 11 -4.525 -5.653 -12.125
95 HE1 PHE 11 HE1 PHE 11 -5.167 -8.115 -7.915
96 HE2 PHE 11 HE2 PHE 11 -6.710 -6.661 -11.614
97 HZ PHE 11 HZ PHE 11 -7.034 -7.893 -9.507
98 H ARG 12 H ARG 12 0.811 -5.886 -12.467
99 HA ARG 12 HA ARG 12 -0.093 -4.594 -14.709
100 HB2 ARG 12 2HB ARG 12 2.120 -5.384 -15.761
101 HB3 ARG 12 3HB ARG 12 2.202 -4.423 -14.291
102 HG2 ARG 12 2HG ARG 12 2.850 -6.220 -12.993
103 HG3 ARG 12 3HG ARG 12 2.196 -7.404 -14.127
104 HD2 ARG 12 2HD ARG 12 4.247 -5.768 -15.349
105 HD3 ARG 12 3HD ARG 12 4.843 -6.584 -13.904
106 HE ARG 12 HE ARG 12 3.403 -8.349 -15.624
107 HH11 ARG 12 1HH1 ARG 12 6.482 -6.803 -15.124
108 HH12 ARG 12 2HH1 ARG 12 7.378 -8.022 -15.970
109 HH21 ARG 12 1HH2 ARG 12 4.571 -9.960 -16.739
110 HH22 ARG 12 2HH2 ARG 12 6.289 -9.816 -16.888
111 H LYS 13 H LYS 13 0.363 -8.056 -14.239
112 HA LYS 13 HA LYS 13 0.025 -8.905 -16.880
113 HB2 LYS 13 2HB LYS 13 -0.691 -11.073 -15.867
114 HB3 LYS 13 3HB LYS 13 0.818 -10.445 -15.216
115 HG2 LYS 13 2HG LYS 13 -0.472 -9.538 -13.288
116 HG3 LYS 13 3HG LYS 13 -1.896 -10.368 -13.918
117 HD2 LYS 13 2HD LYS 13 0.448 -12.093 -13.719
118 HD3 LYS 13 3HD LYS 13 -0.058 -11.425 -12.165
119 HE2 LYS 13 2HE LYS 13 -1.961 -12.755 -14.080
120 HE3 LYS 13 3HE LYS 13 -1.095 -13.637 -12.823
121 HZ1 LYS 13 3HZ LYS 13 -2.112 -12.132 -11.182
122 HZ2 LYS 13 1HZ LYS 13 -3.261 -13.039 -12.031
123 HZ3 LYS 13 2HZ LYS 13 -3.016 -11.411 -12.416
124 H LEU 14 H LEU 14 -2.373 -8.359 -14.324
125 HA LEU 14 HA LEU 14 -4.585 -9.095 -15.998
126 HB2 LEU 14 2HB LEU 14 -4.207 -8.867 -13.302
127 HB3 LEU 14 3HB LEU 14 -5.155 -7.425 -13.660
128 HG LEU 14 HG LEU 14 -6.926 -8.806 -14.605
129 HD11 LEU 14 1HD1 LEU 14 -6.473 -10.833 -15.373
130 HD12 LEU 14 2HD1 LEU 14 -6.240 -11.383 -13.714
131 HD13 LEU 14 3HD1 LEU 14 -4.866 -10.789 -14.647
132 HD21 LEU 14 3HD2 LEU 14 -7.315 -10.212 -12.405
133 HD22 LEU 14 1HD2 LEU 14 -7.424 -8.451 -12.405
134 HD23 LEU 14 2HD2 LEU 14 -5.957 -9.244 -11.828
135 H THR 15 H THR 15 -3.281 -6.037 -14.748
136 HA THR 15 HA THR 15 -5.148 -4.275 -15.762
137 HB THR 15 HB THR 15 -3.516 -2.549 -15.599
138 HG1 THR 15 HG1 THR 15 -1.800 -3.356 -16.757
139 HG21 THR 15 3HG2 THR 15 -2.151 -3.873 -13.509
140 HG22 THR 15 1HG2 THR 15 -3.782 -4.540 -13.563
141 HG23 THR 15 2HG2 THR 15 -3.546 -2.801 -13.386
142 H HIS 16 H HIS 16 -2.359 -5.716 -17.393
143 HA HIS 16 HA HIS 16 -2.847 -4.279 -19.843
144 HB2 HIS 16 2HB HIS 16 -0.564 -4.985 -19.088
145 HB3 HIS 16 3HB HIS 16 -1.033 -6.655 -19.390
146 HD1 HIS 16 HD1 HIS 16 -1.460 -7.309 -21.916
147 HD2 HIS 16 HD2 HIS 16 0.212 -3.554 -21.310
148 HE1 HIS 16 HE1 HIS 16 -0.565 -6.602 -24.157
149 H ARG 17 H ARG 17 -3.733 -7.337 -18.460
150 HA ARG 17 HA ARG 17 -4.727 -8.335 -21.019
151 HB2 ARG 17 2HB ARG 17 -4.458 -9.578 -18.285
152 HB3 ARG 17 3HB ARG 17 -5.329 -10.365 -19.595
153 HG2 ARG 17 2HG ARG 17 -3.321 -10.418 -20.943
154 HG3 ARG 17 3HG ARG 17 -2.435 -9.542 -19.693
155 HD2 ARG 17 2HD ARG 17 -2.428 -11.356 -18.248
156 HD3 ARG 17 3HD ARG 17 -3.805 -12.119 -19.041
157 HE ARG 17 HE ARG 17 -1.914 -12.176 -20.959
158 HH11 ARG 17 1HH1 ARG 17 -1.917 -13.140 -17.614
159 HH12 ARG 17 2HH1 ARG 17 -0.755 -14.404 -17.842
160 HH21 ARG 17 1HH2 ARG 17 -0.382 -13.837 -21.272
161 HH22 ARG 17 2HH2 ARG 17 0.119 -14.799 -19.922
162 H LEU 18 H LEU 18 -6.320 -9.098 -18.021
163 HA LEU 18 HA LEU 18 -8.676 -7.562 -18.896
164 HB2 LEU 18 2HB LEU 18 -10.065 -9.389 -17.950
165 HB3 LEU 18 3HB LEU 18 -9.122 -9.855 -19.364
166 HG LEU 18 HG LEU 18 -7.733 -10.447 -16.884
167 HD11 LEU 18 1HD1 LEU 18 -10.081 -10.680 -16.101
168 HD12 LEU 18 2HD1 LEU 18 -9.166 -12.187 -16.074
169 HD13 LEU 18 3HD1 LEU 18 -10.335 -11.889 -17.359
170 HD21 LEU 18 3HD2 LEU 18 -7.339 -12.527 -17.954
171 HD22 LEU 18 1HD2 LEU 18 -7.256 -11.289 -19.207
172 HD23 LEU 18 2HD2 LEU 18 -8.697 -12.295 -19.057
173 H PHE 19 H PHE 19 -7.669 -5.962 -17.408
174 HA PHE 19 HA PHE 19 -7.227 -6.227 -14.728
175 HB2 PHE 19 2HB PHE 19 -7.045 -4.132 -16.202
176 HB3 PHE 19 3HB PHE 19 -8.743 -3.864 -15.821
177 HD1 PHE 19 HD1 PHE 19 -5.722 -4.874 -13.870
178 HD2 PHE 19 HD2 PHE 19 -9.043 -2.238 -14.242
179 HE1 PHE 19 HE1 PHE 19 -5.069 -3.761 -11.775
180 HE2 PHE 19 HE2 PHE 19 -8.395 -1.120 -12.149
181 HZ PHE 19 HZ PHE 19 -6.405 -1.880 -10.912
182 H ARG 20 H ARG 20 -10.330 -4.981 -15.965
183 HA ARG 20 HA ARG 20 -11.645 -6.248 -13.655
184 HB2 ARG 20 2HB ARG 20 -13.448 -4.522 -14.054
185 HB3 ARG 20 3HB ARG 20 -11.906 -3.894 -13.486
186 HG2 ARG 20 2HG ARG 20 -11.634 -2.642 -15.303
187 HG3 ARG 20 3HG ARG 20 -12.072 -3.967 -16.383
188 HD2 ARG 20 2HD ARG 20 -14.255 -3.350 -16.476
189 HD3 ARG 20 3HD ARG 20 -14.264 -2.740 -14.821
190 HE ARG 20 HE ARG 20 -12.675 -1.025 -16.321
191 HH11 ARG 20 1HH1 ARG 20 -16.001 -2.047 -16.202
192 HH12 ARG 20 2HH1 ARG 20 -16.619 -0.549 -16.815
193 HH21 ARG 20 1HH2 ARG 20 -13.476 0.951 -17.129
194 HH22 ARG 20 2HH2 ARG 20 -15.182 1.155 -17.343
195 H ARG 21 H ARG 21 -11.603 -5.924 -17.109
196 HA ARG 21 HA ARG 21 -14.166 -7.141 -17.544
197 HB2 ARG 21 2HB ARG 21 -11.873 -6.340 -19.302
198 HB3 ARG 21 3HB ARG 21 -13.149 -7.370 -19.938
199 HG2 ARG 21 2HG ARG 21 -14.795 -5.703 -19.584
200 HG3 ARG 21 3HG ARG 21 -13.683 -4.719 -18.630
201 HD2 ARG 21 2HD ARG 21 -12.246 -4.723 -20.799
202 HD3 ARG 21 3HD ARG 21 -13.760 -5.171 -21.584
203 HE ARG 21 HE ARG 21 -14.480 -3.020 -21.318
204 HH11 ARG 21 1HH1 ARG 21 -11.817 -3.589 -19.150
205 HH12 ARG 21 2HH1 ARG 21 -11.709 -1.937 -18.640
206 HH21 ARG 21 1HH2 ARG 21 -14.349 -0.842 -20.655
207 HH22 ARG 21 2HH2 ARG 21 -13.151 -0.376 -19.495
Start of MODEL 13
1 H1 LYS 1 H LYS 1 3.012 -1.501 0.174
2 HA LYS 1 HA LYS 1 1.996 0.401 -0.787
3 HB2 LYS 1 2HB LYS 1 4.642 0.657 -1.812
4 HB3 LYS 1 3HB LYS 1 3.526 0.762 -3.167
5 HG2 LYS 1 2HG LYS 1 3.370 2.919 -2.634
6 HG3 LYS 1 3HG LYS 1 2.330 2.375 -1.315
7 HD2 LYS 1 2HD LYS 1 4.427 2.151 0.078
8 HD3 LYS 1 3HD LYS 1 5.276 2.997 -1.218
9 HE2 LYS 1 2HE LYS 1 4.693 4.885 -0.184
10 HE3 LYS 1 3HE LYS 1 3.056 4.573 -0.761
11 HZ1 LYS 1 3HZ LYS 1 4.011 3.405 1.774
12 HZ2 LYS 1 1HZ LYS 1 2.422 3.690 1.269
13 HZ3 LYS 1 2HZ LYS 1 3.410 4.985 1.723
14 H TYR 2 H TYR 2 0.186 -0.413 -1.603
15 HA TYR 2 HA TYR 2 0.370 -2.104 -4.010
16 HB2 TYR 2 2HB TYR 2 -0.528 -3.019 -1.677
17 HB3 TYR 2 3HB TYR 2 -2.019 -2.269 -2.236
18 HD1 TYR 2 HD2 TYR 2 -1.633 -2.811 -5.202
19 HD2 TYR 2 HD1 TYR 2 -1.175 -5.294 -1.777
20 HE1 TYR 2 HE2 TYR 2 -2.114 -4.791 -6.579
21 HE2 TYR 2 HE1 TYR 2 -1.654 -7.281 -3.145
22 HH TYR 2 HH TYR 2 -2.822 -7.037 -6.392
23 H GLU 3 H GLU 3 0.279 0.667 -4.214
24 HA GLU 3 HA GLU 3 -2.456 1.107 -5.223
25 HB2 GLU 3 2HB GLU 3 -1.936 3.572 -4.888
26 HB3 GLU 3 3HB GLU 3 -2.190 2.622 -3.430
27 HG2 GLU 3 2HG GLU 3 0.290 2.412 -3.232
28 HG3 GLU 3 3HG GLU 3 0.432 3.555 -4.567
29 H ILE 4 H ILE 4 0.949 2.037 -5.669
30 HA ILE 4 HA ILE 4 0.421 2.208 -8.563
31 HB ILE 4 HB ILE 4 2.279 3.919 -8.638
32 HG12 ILE 4 2HG1 ILE 4 1.762 4.737 -5.867
33 HG13 ILE 4 3HG1 ILE 4 2.643 3.220 -6.004
34 HG21 ILE 4 1HG2 ILE 4 -0.419 4.368 -7.461
35 HG22 ILE 4 2HG2 ILE 4 0.701 5.725 -7.564
36 HG23 ILE 4 3HG2 ILE 4 0.227 4.861 -9.026
37 HD11 ILE 4 3HD1 ILE 4 4.300 4.842 -5.882
38 HD12 ILE 4 1HD1 ILE 4 4.185 4.484 -7.605
39 HD13 ILE 4 2HD1 ILE 4 3.435 5.942 -6.955
40 H THR 5 H THR 5 2.109 0.692 -6.114
41 HA THR 5 HA THR 5 4.382 -0.003 -7.833
42 HB THR 5 HB THR 5 3.919 -0.389 -4.875
43 HG1 THR 5 HG1 THR 5 6.034 0.858 -5.020
44 HG21 THR 5 3HG2 THR 5 6.228 -1.359 -6.563
45 HG22 THR 5 1HG2 THR 5 5.049 -2.370 -5.729
46 HG23 THR 5 2HG2 THR 5 6.174 -1.379 -4.801
47 H THR 6 H THR 6 2.672 -1.888 -5.356
48 HA THR 6 HA THR 6 3.000 -4.333 -6.731
49 HB THR 6 HB THR 6 0.911 -3.794 -4.621
50 HG1 THR 6 HG1 THR 6 3.712 -4.040 -4.430
51 HG21 THR 6 3HG2 THR 6 2.495 -6.302 -4.807
52 HG22 THR 6 1HG2 THR 6 1.236 -6.035 -6.011
53 HG23 THR 6 2HG2 THR 6 0.826 -6.055 -4.296
54 H ILE 7 H ILE 7 0.516 -1.895 -6.793
55 HA ILE 7 HA ILE 7 -1.561 -3.445 -7.917
56 HB ILE 7 HB ILE 7 -1.169 -0.713 -7.218
57 HG12 ILE 7 2HG1 ILE 7 -3.683 -2.102 -8.163
58 HG13 ILE 7 3HG1 ILE 7 -3.009 -2.281 -6.547
59 HG21 ILE 7 1HG2 ILE 7 -0.809 -0.271 -9.582
60 HG22 ILE 7 2HG2 ILE 7 -2.312 -1.100 -9.981
61 HG23 ILE 7 3HG2 ILE 7 -2.352 0.400 -9.055
62 HD11 ILE 7 3HD1 ILE 7 -3.783 -0.293 -5.870
63 HD12 ILE 7 1HD1 ILE 7 -3.439 0.487 -7.413
64 HD13 ILE 7 2HD1 ILE 7 -4.899 -0.484 -7.222
65 H HIS 8 H HIS 8 1.242 -1.895 -9.276
66 HA HIS 8 HA HIS 8 0.329 -2.631 -11.978
67 HB2 HIS 8 2HB HIS 8 1.542 -0.236 -10.956
68 HB3 HIS 8 3HB HIS 8 2.606 -0.962 -12.157
69 HD1 HIS 8 HD1 HIS 8 -0.230 1.226 -11.868
70 HD2 HIS 8 HD2 HIS 8 1.129 -1.503 -14.690
71 HE1 HIS 8 HE1 HIS 8 -1.428 1.812 -14.000
72 H ASN 9 H ASN 9 2.157 -3.783 -9.560
73 HA ASN 9 HA ASN 9 4.264 -4.822 -11.331
74 HB2 ASN 9 2HB ASN 9 5.368 -3.831 -9.533
75 HB3 ASN 9 3HB ASN 9 4.139 -4.332 -8.374
76 HD21 ASN 9 1HD2 ASN 9 5.412 -5.380 -6.949
77 HD22 ASN 9 2HD2 ASN 9 6.324 -6.800 -7.323
78 H LEU 10 H LEU 10 1.738 -5.724 -9.061
79 HA LEU 10 HA LEU 10 2.199 -8.558 -9.692
80 HB2 LEU 10 2HB LEU 10 2.227 -8.108 -7.336
81 HB3 LEU 10 3HB LEU 10 0.701 -7.234 -7.440
82 HG LEU 10 HG LEU 10 -0.502 -9.274 -7.852
83 HD11 LEU 10 1HD1 LEU 10 1.182 -11.382 -7.461
84 HD12 LEU 10 2HD1 LEU 10 2.174 -10.299 -8.437
85 HD13 LEU 10 3HD1 LEU 10 0.599 -10.825 -9.030
86 HD21 LEU 10 3HD2 LEU 10 0.921 -8.706 -5.485
87 HD22 LEU 10 1HD2 LEU 10 0.969 -10.455 -5.709
88 HD23 LEU 10 2HD2 LEU 10 -0.581 -9.614 -5.662
89 H PHE 11 H PHE 11 0.361 -6.017 -10.679
90 HA PHE 11 HA PHE 11 -1.867 -7.779 -11.461
91 HB2 PHE 11 2HB PHE 11 -2.000 -5.407 -9.974
92 HB3 PHE 11 3HB PHE 11 -2.542 -4.968 -11.591
93 HD1 PHE 11 HD2 PHE 11 -3.153 -7.265 -8.761
94 HD2 PHE 11 HD1 PHE 11 -4.666 -5.600 -12.375
95 HE1 PHE 11 HE2 PHE 11 -5.366 -8.220 -8.270
96 HE2 PHE 11 HE1 PHE 11 -6.882 -6.552 -11.889
97 HZ PHE 11 HZ PHE 11 -7.234 -7.865 -9.836
98 H ARG 12 H ARG 12 0.819 -6.408 -12.604
99 HA ARG 12 HA ARG 12 0.081 -5.000 -14.902
100 HB2 ARG 12 2HB ARG 12 2.306 -5.303 -15.653
101 HB3 ARG 12 3HB ARG 12 2.399 -5.229 -13.899
102 HG2 ARG 12 2HG ARG 12 3.734 -7.021 -14.222
103 HG3 ARG 12 3HG ARG 12 2.186 -7.868 -14.180
104 HD2 ARG 12 2HD ARG 12 2.581 -8.643 -16.222
105 HD3 ARG 12 3HD ARG 12 2.570 -6.988 -16.832
106 HE ARG 12 HE ARG 12 4.846 -7.087 -17.017
107 HH11 ARG 12 1HH1 ARG 12 3.772 -9.648 -14.917
108 HH12 ARG 12 2HH1 ARG 12 5.334 -10.387 -14.804
109 HH21 ARG 12 1HH2 ARG 12 6.908 -8.051 -16.876
110 HH22 ARG 12 2HH2 ARG 12 7.118 -9.478 -15.918
111 H LYS 13 H LYS 13 0.052 -8.395 -14.206
112 HA LYS 13 HA LYS 13 -0.131 -9.217 -16.965
113 HB2 LYS 13 2HB LYS 13 -0.323 -11.441 -16.129
114 HB3 LYS 13 3HB LYS 13 0.870 -10.622 -15.131
115 HG2 LYS 13 2HG LYS 13 -1.348 -10.142 -13.689
116 HG3 LYS 13 3HG LYS 13 -1.783 -11.685 -14.428
117 HD2 LYS 13 2HD LYS 13 0.884 -11.938 -13.569
118 HD3 LYS 13 3HD LYS 13 0.008 -11.157 -12.250
119 HE2 LYS 13 2HE LYS 13 -0.944 -13.653 -13.643
120 HE3 LYS 13 3HE LYS 13 0.042 -13.669 -12.182
121 HZ1 LYS 13 3HZ LYS 13 -2.759 -12.913 -12.524
122 HZ2 LYS 13 1HZ LYS 13 -1.862 -12.068 -11.366
123 HZ3 LYS 13 2HZ LYS 13 -2.012 -13.749 -11.257
124 H LEU 14 H LEU 14 -2.244 -7.783 -14.847
125 HA LEU 14 HA LEU 14 -4.586 -9.017 -16.139
126 HB2 LEU 14 2HB LEU 14 -4.233 -7.736 -13.447
127 HB3 LEU 14 3HB LEU 14 -5.826 -7.954 -14.169
128 HG LEU 14 HG LEU 14 -3.885 -10.148 -13.443
129 HD11 LEU 14 1HD1 LEU 14 -5.632 -10.739 -11.790
130 HD12 LEU 14 2HD1 LEU 14 -6.477 -9.247 -12.199
131 HD13 LEU 14 3HD1 LEU 14 -4.870 -9.180 -11.476
132 HD21 LEU 14 3HD2 LEU 14 -5.948 -11.572 -13.924
133 HD22 LEU 14 1HD2 LEU 14 -5.061 -10.937 -15.310
134 HD23 LEU 14 2HD2 LEU 14 -6.564 -10.169 -14.800
135 H THR 15 H THR 15 -3.326 -5.925 -14.917
136 HA THR 15 HA THR 15 -5.262 -4.214 -15.879
137 HB THR 15 HB THR 15 -3.652 -2.443 -15.791
138 HG1 THR 15 HG1 THR 15 -1.639 -2.765 -16.355
139 HG21 THR 15 3HG2 THR 15 -2.265 -3.650 -13.669
140 HG22 THR 15 1HG2 THR 15 -3.849 -4.422 -13.713
141 HG23 THR 15 2HG2 THR 15 -3.727 -2.668 -13.575
142 H HIS 16 H HIS 16 -2.564 -5.682 -17.604
143 HA HIS 16 HA HIS 16 -3.164 -4.227 -20.039
144 HB2 HIS 16 2HB HIS 16 -1.033 -6.107 -19.144
145 HB3 HIS 16 3HB HIS 16 -1.354 -5.999 -20.872
146 HD1 HIS 16 HD1 HIS 16 -0.874 -3.695 -22.019
147 HD2 HIS 16 HD2 HIS 16 0.290 -3.938 -18.038
148 HE1 HIS 16 HE1 HIS 16 0.644 -1.726 -21.641
149 H ARG 17 H ARG 17 -3.781 -7.348 -18.626
150 HA ARG 17 HA ARG 17 -4.868 -8.369 -21.142
151 HB2 ARG 17 2HB ARG 17 -4.257 -9.652 -18.486
152 HB3 ARG 17 3HB ARG 17 -5.200 -10.475 -19.720
153 HG2 ARG 17 2HG ARG 17 -3.022 -11.253 -20.018
154 HG3 ARG 17 3HG ARG 17 -3.234 -10.038 -21.279
155 HD2 ARG 17 2HD ARG 17 -2.267 -8.777 -18.903
156 HD3 ARG 17 3HD ARG 17 -1.239 -10.157 -19.287
157 HE ARG 17 HE ARG 17 -1.816 -8.434 -21.527
158 HH11 ARG 17 1HH1 ARG 17 0.318 -9.084 -18.854
159 HH12 ARG 17 2HH1 ARG 17 1.662 -8.243 -19.553
160 HH21 ARG 17 1HH2 ARG 17 -0.054 -7.323 -22.457
161 HH22 ARG 17 2HH2 ARG 17 1.449 -7.241 -21.602
162 H LEU 18 H LEU 18 -6.118 -9.242 -17.994
163 HA LEU 18 HA LEU 18 -8.687 -7.985 -18.703
164 HB2 LEU 18 2HB LEU 18 -9.787 -9.884 -17.547
165 HB3 LEU 18 3HB LEU 18 -8.925 -10.336 -19.016
166 HG LEU 18 HG LEU 18 -7.302 -10.634 -16.614
167 HD11 LEU 18 1HD1 LEU 18 -9.709 -12.422 -16.884
168 HD12 LEU 18 2HD1 LEU 18 -9.575 -11.119 -15.704
169 HD13 LEU 18 3HD1 LEU 18 -8.456 -12.481 -15.643
170 HD21 LEU 18 3HD2 LEU 18 -6.734 -12.713 -17.631
171 HD22 LEU 18 1HD2 LEU 18 -6.825 -11.505 -18.913
172 HD23 LEU 18 2HD2 LEU 18 -8.147 -12.650 -18.686
173 H PHE 19 H PHE 19 -7.787 -6.198 -17.401
174 HA PHE 19 HA PHE 19 -7.070 -6.279 -14.753
175 HB2 PHE 19 2HB PHE 19 -7.180 -4.261 -16.323
176 HB3 PHE 19 3HB PHE 19 -8.871 -4.126 -15.853
177 HD1 PHE 19 HD2 PHE 19 -5.849 -4.954 -13.843
178 HD2 PHE 19 HD1 PHE 19 -9.048 -2.235 -14.545
179 HE1 PHE 19 HE2 PHE 19 -5.188 -3.667 -11.853
180 HE2 PHE 19 HE1 PHE 19 -8.391 -0.943 -12.557
181 HZ PHE 19 HZ PHE 19 -6.459 -1.659 -11.207
182 H ARG 20 H ARG 20 -10.362 -5.375 -15.784
183 HA ARG 20 HA ARG 20 -11.367 -6.554 -13.283
184 HB2 ARG 20 2HB ARG 20 -13.261 -5.061 -13.467
185 HB3 ARG 20 3HB ARG 20 -11.775 -4.130 -13.598
186 HG2 ARG 20 2HG ARG 20 -12.123 -4.404 -16.151
187 HG3 ARG 20 3HG ARG 20 -13.788 -4.783 -15.704
188 HD2 ARG 20 2HD ARG 20 -13.597 -2.602 -14.283
189 HD3 ARG 20 3HD ARG 20 -12.264 -2.234 -15.376
190 HE ARG 20 HE ARG 20 -14.691 -2.999 -16.716
191 HH11 ARG 20 1HH1 ARG 20 -12.891 -0.365 -15.323
192 HH12 ARG 20 2HH1 ARG 20 -13.679 0.849 -16.276
193 HH21 ARG 20 1HH2 ARG 20 -15.736 -1.410 -17.975
194 HH22 ARG 20 2HH2 ARG 20 -15.298 0.253 -17.783
195 H ARG 21 H ARG 21 -11.684 -6.549 -16.760
196 HA ARG 21 HA ARG 21 -14.092 -7.899 -17.074
197 HB2 ARG 21 2HB ARG 21 -11.592 -8.154 -18.757
198 HB3 ARG 21 3HB ARG 21 -13.211 -8.632 -19.251
199 HG2 ARG 21 2HG ARG 21 -12.553 -5.817 -18.450
200 HG3 ARG 21 3HG ARG 21 -12.349 -6.405 -20.102
201 HD2 ARG 21 2HD ARG 21 -14.740 -7.074 -20.100
202 HD3 ARG 21 3HD ARG 21 -14.906 -6.338 -18.506
203 HE ARG 21 HE ARG 21 -13.872 -4.363 -20.099
204 HH11 ARG 21 1HH1 ARG 21 -16.706 -6.384 -20.155
205 HH12 ARG 21 2HH1 ARG 21 -17.688 -5.209 -20.965
206 HH21 ARG 21 1HH2 ARG 21 -15.155 -2.807 -21.166
207 HH22 ARG 21 2HH2 ARG 21 -16.804 -3.175 -21.541
Start of MODEL 14
1 H1 LYS 1 H LYS 1 1.250 -1.008 0.145
2 HA LYS 1 HA LYS 1 2.021 1.157 -1.364
3 HB2 LYS 1 2HB LYS 1 4.152 -0.989 -1.401
4 HB3 LYS 1 3HB LYS 1 4.094 0.420 -2.453
5 HG2 LYS 1 2HG LYS 1 4.475 1.897 -0.622
6 HG3 LYS 1 3HG LYS 1 4.282 0.587 0.545
7 HD2 LYS 1 2HD LYS 1 6.261 -0.463 -0.881
8 HD3 LYS 1 3HD LYS 1 6.576 1.239 -1.229
9 HE2 LYS 1 2HE LYS 1 6.216 0.171 1.562
10 HE3 LYS 1 3HE LYS 1 7.786 0.264 0.766
11 HZ1 LYS 1 3HZ LYS 1 7.091 2.194 2.252
12 HZ2 LYS 1 1HZ LYS 1 6.044 2.638 0.999
13 HZ3 LYS 1 2HZ LYS 1 7.712 2.575 0.725
14 H TYR 2 H TYR 2 -0.144 -0.373 -1.485
15 HA TYR 2 HA TYR 2 0.191 -1.938 -3.961
16 HB2 TYR 2 2HB TYR 2 -0.580 -3.047 -1.665
17 HB3 TYR 2 3HB TYR 2 -2.148 -2.437 -2.183
18 HD1 TYR 2 HD2 TYR 2 -1.802 -2.805 -5.156
19 HD2 TYR 2 HD1 TYR 2 -0.913 -5.370 -1.880
20 HE1 TYR 2 HE2 TYR 2 -2.083 -4.761 -6.619
21 HE2 TYR 2 HE1 TYR 2 -1.190 -7.334 -3.334
22 HH TYR 2 HH TYR 2 -2.741 -7.389 -6.074
23 H GLU 3 H GLU 3 -0.189 0.807 -4.050
24 HA GLU 3 HA GLU 3 -2.985 1.026 -4.957
25 HB2 GLU 3 2HB GLU 3 -2.627 3.526 -4.621
26 HB3 GLU 3 3HB GLU 3 -2.762 2.544 -3.168
27 HG2 GLU 3 2HG GLU 3 -0.256 2.499 -3.086
28 HG3 GLU 3 3HG GLU 3 -0.265 3.695 -4.381
29 H ILE 4 H ILE 4 0.301 2.262 -5.550
30 HA ILE 4 HA ILE 4 -0.365 2.372 -8.418
31 HB ILE 4 HB ILE 4 -0.161 4.643 -7.302
32 HG12 ILE 4 2HG1 ILE 4 1.749 3.965 -9.549
33 HG13 ILE 4 3HG1 ILE 4 0.038 4.337 -9.725
34 HG21 ILE 4 1HG2 ILE 4 2.787 4.040 -7.319
35 HG22 ILE 4 2HG2 ILE 4 1.974 5.473 -6.692
36 HG23 ILE 4 3HG2 ILE 4 1.785 3.923 -5.872
37 HD11 ILE 4 3HD1 ILE 4 0.639 6.577 -8.613
38 HD12 ILE 4 1HD1 ILE 4 2.300 6.159 -9.034
39 HD13 ILE 4 2HD1 ILE 4 1.082 6.316 -10.300
40 H THR 5 H THR 5 1.619 1.119 -6.018
41 HA THR 5 HA THR 5 3.913 0.709 -7.776
42 HB THR 5 HB THR 5 3.446 0.143 -4.854
43 HG1 THR 5 HG1 THR 5 5.502 1.485 -4.919
44 HG21 THR 5 3HG2 THR 5 5.758 -0.736 -6.583
45 HG22 THR 5 1HG2 THR 5 4.673 -1.762 -5.646
46 HG23 THR 5 2HG2 THR 5 5.805 -0.691 -4.820
47 H THR 6 H THR 6 2.246 -1.476 -5.511
48 HA THR 6 HA THR 6 2.881 -3.779 -7.066
49 HB THR 6 HB THR 6 0.878 -3.527 -4.814
50 HG1 THR 6 HG1 THR 6 2.862 -4.596 -3.757
51 HG21 THR 6 3HG2 THR 6 2.303 -5.947 -5.926
52 HG22 THR 6 1HG2 THR 6 0.600 -5.559 -6.168
53 HG23 THR 6 2HG2 THR 6 1.198 -5.933 -4.551
54 H ILE 7 H ILE 7 0.284 -1.523 -7.070
55 HA ILE 7 HA ILE 7 -1.766 -3.136 -8.135
56 HB ILE 7 HB ILE 7 -1.593 -0.519 -7.332
57 HG12 ILE 7 2HG1 ILE 7 -3.564 -2.028 -7.266
58 HG13 ILE 7 3HG1 ILE 7 -3.966 -0.410 -7.829
59 HG21 ILE 7 1HG2 ILE 7 -2.065 -0.527 -10.310
60 HG22 ILE 7 2HG2 ILE 7 -2.276 0.854 -9.235
61 HG23 ILE 7 3HG2 ILE 7 -0.671 0.167 -9.483
62 HD11 ILE 7 3HD1 ILE 7 -3.592 -2.855 -9.541
63 HD12 ILE 7 1HD1 ILE 7 -5.119 -2.068 -9.143
64 HD13 ILE 7 2HD1 ILE 7 -3.930 -1.232 -10.142
65 H HIS 8 H HIS 8 0.983 -1.559 -9.583
66 HA HIS 8 HA HIS 8 0.070 -2.448 -12.240
67 HB2 HIS 8 2HB HIS 8 1.159 0.055 -11.345
68 HB3 HIS 8 3HB HIS 8 2.247 -0.665 -12.528
69 HD1 HIS 8 HD1 HIS 8 1.432 -0.811 -14.952
70 HD2 HIS 8 HD2 HIS 8 -1.375 0.791 -12.341
71 HE1 HIS 8 HE1 HIS 8 -0.368 0.163 -16.414
72 H ASN 9 H ASN 9 1.981 -3.396 -9.803
73 HA ASN 9 HA ASN 9 4.141 -4.371 -11.543
74 HB2 ASN 9 2HB ASN 9 5.288 -3.398 -9.817
75 HB3 ASN 9 3HB ASN 9 3.986 -3.662 -8.661
76 HD21 ASN 9 1HD2 ASN 9 4.844 -4.770 -7.050
77 HD22 ASN 9 2HD2 ASN 9 5.774 -6.218 -7.204
78 H LEU 10 H LEU 10 1.653 -5.359 -9.269
79 HA LEU 10 HA LEU 10 2.247 -8.175 -9.884
80 HB2 LEU 10 2HB LEU 10 2.371 -7.732 -7.533
81 HB3 LEU 10 3HB LEU 10 0.810 -6.914 -7.557
82 HG LEU 10 HG LEU 10 -0.340 -8.992 -7.899
83 HD11 LEU 10 1HD1 LEU 10 2.373 -10.302 -8.000
84 HD12 LEU 10 2HD1 LEU 10 1.308 -10.043 -9.381
85 HD13 LEU 10 3HD1 LEU 10 0.811 -11.119 -8.075
86 HD21 LEU 10 3HD2 LEU 10 -0.269 -9.315 -5.707
87 HD22 LEU 10 1HD2 LEU 10 1.243 -8.410 -5.625
88 HD23 LEU 10 2HD2 LEU 10 1.274 -10.157 -5.866
89 H PHE 11 H PHE 11 0.269 -5.737 -10.817
90 HA PHE 11 HA PHE 11 -1.920 -7.597 -11.472
91 HB2 PHE 11 2HB PHE 11 -2.089 -5.224 -9.989
92 HB3 PHE 11 3HB PHE 11 -2.726 -4.820 -11.580
93 HD1 PHE 11 HD1 PHE 11 -3.085 -7.165 -8.741
94 HD2 PHE 11 HD2 PHE 11 -4.867 -5.512 -12.235
95 HE1 PHE 11 HE1 PHE 11 -5.227 -8.216 -8.142
96 HE2 PHE 11 HE2 PHE 11 -7.012 -6.560 -11.641
97 HZ PHE 11 HZ PHE 11 -7.195 -7.914 -9.592
98 H ARG 12 H ARG 12 0.648 -6.144 -12.753
99 HA ARG 12 HA ARG 12 -0.252 -4.767 -15.013
100 HB2 ARG 12 2HB ARG 12 1.939 -4.942 -15.842
101 HB3 ARG 12 3HB ARG 12 2.130 -4.968 -14.094
102 HG2 ARG 12 2HG ARG 12 2.050 -7.445 -15.796
103 HG3 ARG 12 3HG ARG 12 3.537 -6.611 -15.340
104 HD2 ARG 12 2HD ARG 12 2.502 -6.849 -12.920
105 HD3 ARG 12 3HD ARG 12 1.649 -8.196 -13.673
106 HE ARG 12 HE ARG 12 3.591 -9.377 -13.576
107 HH11 ARG 12 1HH1 ARG 12 4.369 -5.984 -13.529
108 HH12 ARG 12 2HH1 ARG 12 6.070 -6.244 -13.328
109 HH21 ARG 12 1HH2 ARG 12 5.828 -9.732 -13.311
110 HH22 ARG 12 2HH2 ARG 12 6.899 -8.376 -13.205
111 H LYS 13 H LYS 13 -0.178 -8.148 -14.296
112 HA LYS 13 HA LYS 13 -0.439 -9.002 -17.040
113 HB2 LYS 13 2HB LYS 13 -0.801 -11.247 -16.043
114 HB3 LYS 13 3HB LYS 13 0.679 -10.477 -15.487
115 HG2 LYS 13 2HG LYS 13 0.007 -10.458 -13.360
116 HG3 LYS 13 3HG LYS 13 -1.625 -9.934 -13.782
117 HD2 LYS 13 2HD LYS 13 -1.853 -12.083 -12.820
118 HD3 LYS 13 3HD LYS 13 -2.044 -12.305 -14.560
119 HE2 LYS 13 2HE LYS 13 -0.624 -14.043 -13.935
120 HE3 LYS 13 3HE LYS 13 0.474 -12.815 -14.563
121 HZ1 LYS 13 3HZ LYS 13 1.526 -12.830 -12.633
122 HZ2 LYS 13 1HZ LYS 13 0.458 -13.992 -12.022
123 HZ3 LYS 13 2HZ LYS 13 0.117 -12.346 -11.831
124 H LEU 14 H LEU 14 -2.506 -7.606 -14.843
125 HA LEU 14 HA LEU 14 -4.865 -8.880 -16.064
126 HB2 LEU 14 2HB LEU 14 -4.444 -7.630 -13.368
127 HB3 LEU 14 3HB LEU 14 -6.057 -7.869 -14.037
128 HG LEU 14 HG LEU 14 -4.050 -10.033 -13.408
129 HD11 LEU 14 1HD1 LEU 14 -6.549 -9.078 -12.043
130 HD12 LEU 14 2HD1 LEU 14 -4.928 -9.250 -11.371
131 HD13 LEU 14 3HD1 LEU 14 -5.873 -10.684 -11.772
132 HD21 LEU 14 3HD2 LEU 14 -6.827 -10.156 -14.569
133 HD22 LEU 14 1HD2 LEU 14 -5.971 -11.547 -13.904
134 HD23 LEU 14 2HD2 LEU 14 -5.326 -10.706 -15.314
135 H THR 15 H THR 15 -3.639 -5.776 -14.831
136 HA THR 15 HA THR 15 -5.640 -4.097 -15.704
137 HB THR 15 HB THR 15 -4.065 -2.292 -15.649
138 HG1 THR 15 HG1 THR 15 -2.184 -2.668 -16.534
139 HG21 THR 15 3HG2 THR 15 -2.587 -3.483 -13.585
140 HG22 THR 15 1HG2 THR 15 -4.146 -4.305 -13.591
141 HG23 THR 15 2HG2 THR 15 -4.076 -2.550 -13.434
142 H HIS 16 H HIS 16 -2.985 -5.495 -17.544
143 HA HIS 16 HA HIS 16 -3.702 -4.016 -19.936
144 HB2 HIS 16 2HB HIS 16 -1.327 -5.009 -19.035
145 HB3 HIS 16 3HB HIS 16 -1.803 -6.257 -20.182
146 HD1 HIS 16 HD1 HIS 16 -0.640 -5.838 -22.314
147 HD2 HIS 16 HD2 HIS 16 -1.896 -2.302 -20.531
148 HE1 HIS 16 HE1 HIS 16 0.005 -4.011 -23.917
149 H ARG 17 H ARG 17 -4.176 -7.174 -18.548
150 HA ARG 17 HA ARG 17 -5.334 -8.185 -21.037
151 HB2 ARG 17 2HB ARG 17 -4.590 -9.504 -18.431
152 HB3 ARG 17 3HB ARG 17 -5.530 -10.330 -19.666
153 HG2 ARG 17 2HG ARG 17 -3.339 -11.017 -20.046
154 HG3 ARG 17 3HG ARG 17 -3.614 -9.761 -21.254
155 HD2 ARG 17 2HD ARG 17 -1.960 -8.520 -20.434
156 HD3 ARG 17 3HD ARG 17 -2.628 -8.614 -18.805
157 HE ARG 17 HE ARG 17 -1.137 -10.293 -18.316
158 HH11 ARG 17 1HH1 ARG 17 -1.166 -9.715 -21.749
159 HH12 ARG 17 2HH1 ARG 17 0.220 -10.708 -22.060
160 HH21 ARG 17 1HH2 ARG 17 0.688 -11.603 -18.712
161 HH22 ARG 17 2HH2 ARG 17 1.273 -11.782 -20.332
162 H LEU 18 H LEU 18 -6.417 -9.147 -17.852
163 HA LEU 18 HA LEU 18 -9.055 -7.969 -18.434
164 HB2 LEU 18 2HB LEU 18 -10.038 -9.917 -17.253
165 HB3 LEU 18 3HB LEU 18 -9.226 -10.324 -18.763
166 HG LEU 18 HG LEU 18 -7.495 -10.589 -16.431
167 HD11 LEU 18 1HD1 LEU 18 -8.542 -12.495 -15.448
168 HD12 LEU 18 2HD1 LEU 18 -9.845 -12.460 -16.635
169 HD13 LEU 18 3HD1 LEU 18 -9.709 -11.172 -15.439
170 HD21 LEU 18 3HD2 LEU 18 -8.341 -12.617 -18.489
171 HD22 LEU 18 1HD2 LEU 18 -6.881 -12.622 -17.501
172 HD23 LEU 18 2HD2 LEU 18 -7.085 -11.410 -18.766
173 H PHE 19 H PHE 19 -8.165 -6.165 -17.152
174 HA PHE 19 HA PHE 19 -7.330 -6.247 -14.538
175 HB2 PHE 19 2HB PHE 19 -7.572 -4.219 -16.076
176 HB3 PHE 19 3HB PHE 19 -9.247 -4.148 -15.541
177 HD1 PHE 19 HD2 PHE 19 -6.131 -4.896 -13.648
178 HD2 PHE 19 HD1 PHE 19 -9.432 -2.269 -14.214
179 HE1 PHE 19 HE2 PHE 19 -5.439 -3.607 -11.671
180 HE2 PHE 19 HE1 PHE 19 -8.744 -0.975 -12.238
181 HZ PHE 19 HZ PHE 19 -6.746 -1.643 -10.963
182 H ARG 20 H ARG 20 -10.691 -5.447 -15.416
183 HA ARG 20 HA ARG 20 -11.550 -6.781 -12.934
184 HB2 ARG 20 2HB ARG 20 -13.420 -5.251 -12.846
185 HB3 ARG 20 3HB ARG 20 -11.926 -4.333 -12.981
186 HG2 ARG 20 2HG ARG 20 -12.504 -4.453 -15.557
187 HG3 ARG 20 3HG ARG 20 -14.140 -4.656 -14.927
188 HD2 ARG 20 2HD ARG 20 -14.216 -2.549 -14.062
189 HD3 ARG 20 3HD ARG 20 -12.480 -2.494 -13.760
190 HE ARG 20 HE ARG 20 -13.041 -2.506 -16.545
191 HH11 ARG 20 1HH1 ARG 20 -13.039 -0.464 -13.725
192 HH12 ARG 20 2HH1 ARG 20 -12.797 0.998 -14.623
193 HH21 ARG 20 1HH2 ARG 20 -12.723 -0.588 -17.738
194 HH22 ARG 20 2HH2 ARG 20 -12.618 0.926 -16.906
195 H ARG 21 H ARG 21 -12.095 -6.416 -16.365
196 HA ARG 21 HA ARG 21 -14.415 -8.165 -16.328
197 HB2 ARG 21 2HB ARG 21 -14.611 -7.704 -18.671
198 HB3 ARG 21 3HB ARG 21 -14.261 -6.186 -17.854
199 HG2 ARG 21 2HG ARG 21 -11.835 -6.576 -18.470
200 HG3 ARG 21 3HG ARG 21 -12.420 -7.860 -19.530
201 HD2 ARG 21 2HD ARG 21 -13.950 -6.131 -20.562
202 HD3 ARG 21 3HD ARG 21 -13.039 -4.918 -19.663
203 HE ARG 21 HE ARG 21 -11.231 -6.496 -21.102
204 HH11 ARG 21 1HH1 ARG 21 -13.756 -4.166 -21.666
205 HH12 ARG 21 2HH1 ARG 21 -13.067 -3.584 -23.146
206 HH21 ARG 21 1HH2 ARG 21 -10.314 -5.738 -23.049
207 HH22 ARG 21 2HH2 ARG 21 -11.110 -4.479 -23.932
Start of MODEL 15
1 H1 LYS 1 H LYS 1 3.417 -2.754 -0.114
2 HA LYS 1 HA LYS 1 2.273 -0.296 -0.265
3 HB2 LYS 1 2HB LYS 1 4.677 0.446 -0.711
4 HB3 LYS 1 3HB LYS 1 4.514 -0.330 -2.281
5 HG2 LYS 1 2HG LYS 1 4.022 1.893 -2.715
6 HG3 LYS 1 3HG LYS 1 2.430 1.144 -2.565
7 HD2 LYS 1 2HD LYS 1 1.918 2.602 -0.968
8 HD3 LYS 1 3HD LYS 1 3.224 1.951 0.026
9 HE2 LYS 1 2HE LYS 1 4.776 3.481 -1.274
10 HE3 LYS 1 3HE LYS 1 3.324 4.253 -1.910
11 HZ1 LYS 1 3HZ LYS 1 4.597 4.814 0.470
12 HZ2 LYS 1 1HZ LYS 1 3.176 4.010 0.911
13 HZ3 LYS 1 2HZ LYS 1 3.097 5.403 -0.045
14 H TYR 2 H TYR 2 0.465 -1.107 -1.116
15 HA TYR 2 HA TYR 2 0.672 -2.564 -3.670
16 HB2 TYR 2 2HB TYR 2 -0.078 -3.999 -1.792
17 HB3 TYR 2 3HB TYR 2 -1.440 -2.915 -1.531
18 HD1 TYR 2 HD1 TYR 2 -0.313 -3.640 -4.928
19 HD2 TYR 2 HD2 TYR 2 -3.032 -4.743 -1.847
20 HE1 TYR 2 HE1 TYR 2 -1.637 -4.917 -6.561
21 HE2 TYR 2 HE2 TYR 2 -4.362 -6.024 -3.471
22 HH TYR 2 HH TYR 2 -3.284 -6.968 -6.394
23 H GLU 3 H GLU 3 0.427 0.304 -3.285
24 HA GLU 3 HA GLU 3 -2.297 0.789 -4.282
25 HB2 GLU 3 2HB GLU 3 -0.900 2.093 -2.302
26 HB3 GLU 3 3HB GLU 3 -0.649 3.139 -3.692
27 HG2 GLU 3 2HG GLU 3 -3.016 3.388 -4.004
28 HG3 GLU 3 3HG GLU 3 -3.345 2.209 -2.735
29 H ILE 4 H ILE 4 1.058 1.864 -4.832
30 HA ILE 4 HA ILE 4 0.399 2.121 -7.692
31 HB ILE 4 HB ILE 4 0.708 4.330 -6.474
32 HG12 ILE 4 2HG1 ILE 4 2.573 3.667 -8.764
33 HG13 ILE 4 3HG1 ILE 4 0.879 4.122 -8.911
34 HG21 ILE 4 1HG2 ILE 4 3.642 3.758 -6.606
35 HG22 ILE 4 2HG2 ILE 4 2.785 5.006 -5.702
36 HG23 ILE 4 3HG2 ILE 4 2.708 3.325 -5.174
37 HD11 ILE 4 3HD1 ILE 4 1.551 6.289 -7.744
38 HD12 ILE 4 1HD1 ILE 4 3.211 5.816 -8.107
39 HD13 ILE 4 2HD1 ILE 4 2.056 6.062 -9.418
40 H THR 5 H THR 5 2.278 0.621 -5.378
41 HA THR 5 HA THR 5 4.597 0.232 -7.103
42 HB THR 5 HB THR 5 3.999 -0.590 -4.266
43 HG1 THR 5 HG1 THR 5 6.128 0.656 -4.156
44 HG21 THR 5 3HG2 THR 5 6.352 -1.376 -5.986
45 HG22 THR 5 1HG2 THR 5 5.176 -2.455 -5.237
46 HG23 THR 5 2HG2 THR 5 6.301 -1.542 -4.231
47 H THR 6 H THR 6 2.763 -2.067 -5.098
48 HA THR 6 HA THR 6 3.288 -4.210 -6.928
49 HB THR 6 HB THR 6 1.514 -4.092 -4.483
50 HG1 THR 6 HG1 THR 6 4.191 -4.844 -4.974
51 HG21 THR 6 3HG2 THR 6 2.372 -6.464 -6.144
52 HG22 THR 6 1HG2 THR 6 0.732 -5.839 -5.985
53 HG23 THR 6 2HG2 THR 6 1.541 -6.557 -4.592
54 H ILE 7 H ILE 7 0.791 -1.882 -6.534
55 HA ILE 7 HA ILE 7 -1.386 -3.279 -7.642
56 HB ILE 7 HB ILE 7 -0.826 -0.579 -6.851
57 HG12 ILE 7 2HG1 ILE 7 -2.602 -2.150 -6.009
58 HG13 ILE 7 3HG1 ILE 7 -3.180 -0.533 -6.393
59 HG21 ILE 7 1HG2 ILE 7 -0.758 -0.045 -9.212
60 HG22 ILE 7 2HG2 ILE 7 -2.295 -0.870 -9.467
61 HG23 ILE 7 3HG2 ILE 7 -2.234 0.598 -8.492
62 HD11 ILE 7 3HD1 ILE 7 -4.555 -1.281 -7.981
63 HD12 ILE 7 1HD1 ILE 7 -3.364 -2.416 -8.616
64 HD13 ILE 7 2HD1 ILE 7 -4.336 -2.852 -7.210
65 H HIS 8 H HIS 8 1.394 -1.782 -9.078
66 HA HIS 8 HA HIS 8 0.282 -2.311 -11.755
67 HB2 HIS 8 2HB HIS 8 1.588 0.010 -10.682
68 HB3 HIS 8 3HB HIS 8 2.565 -0.656 -11.988
69 HD1 HIS 8 HD1 HIS 8 0.948 -1.238 -14.227
70 HD2 HIS 8 HD2 HIS 8 -0.252 1.749 -11.601
71 HE1 HIS 8 HE1 HIS 8 -0.673 0.184 -15.521
72 H ASN 9 H ASN 9 2.290 -3.572 -9.518
73 HA ASN 9 HA ASN 9 4.258 -4.533 -11.478
74 HB2 ASN 9 2HB ASN 9 5.616 -3.863 -9.784
75 HB3 ASN 9 3HB ASN 9 4.343 -3.996 -8.574
76 HD21 ASN 9 1HD2 ASN 9 5.025 -5.305 -7.043
77 HD22 ASN 9 2HD2 ASN 9 5.787 -6.837 -7.280
78 H LEU 10 H LEU 10 1.873 -5.573 -9.110
79 HA LEU 10 HA LEU 10 2.262 -8.360 -9.958
80 HB2 LEU 10 2HB LEU 10 2.411 -7.905 -7.548
81 HB3 LEU 10 3HB LEU 10 0.771 -7.260 -7.578
82 HG LEU 10 HG LEU 10 0.577 -9.844 -8.637
83 HD11 LEU 10 1HD1 LEU 10 2.906 -10.077 -7.582
84 HD12 LEU 10 2HD1 LEU 10 1.690 -11.293 -7.195
85 HD13 LEU 10 3HD1 LEU 10 2.057 -10.015 -6.037
86 HD21 LEU 10 3HD2 LEU 10 -0.818 -8.336 -6.954
87 HD22 LEU 10 1HD2 LEU 10 -0.005 -9.360 -5.769
88 HD23 LEU 10 2HD2 LEU 10 -1.008 -10.089 -7.024
89 H PHE 11 H PHE 11 0.439 -5.774 -10.755
90 HA PHE 11 HA PHE 11 -1.883 -7.449 -11.453
91 HB2 PHE 11 2HB PHE 11 -1.907 -5.183 -9.860
92 HB3 PHE 11 3HB PHE 11 -2.399 -4.575 -11.437
93 HD1 PHE 11 HD1 PHE 11 -3.256 -6.838 -8.684
94 HD2 PHE 11 HD2 PHE 11 -4.497 -5.202 -12.412
95 HE1 PHE 11 HE1 PHE 11 -5.536 -7.672 -8.287
96 HE2 PHE 11 HE2 PHE 11 -6.780 -6.033 -12.021
97 HZ PHE 11 HZ PHE 11 -7.302 -7.269 -9.956
98 H ARG 12 H ARG 12 0.748 -5.812 -12.630
99 HA ARG 12 HA ARG 12 -0.051 -4.424 -14.857
100 HB2 ARG 12 2HB ARG 12 2.125 -5.313 -15.899
101 HB3 ARG 12 3HB ARG 12 2.245 -4.399 -14.401
102 HG2 ARG 12 2HG ARG 12 3.172 -6.108 -13.333
103 HG3 ARG 12 3HG ARG 12 1.928 -7.226 -13.895
104 HD2 ARG 12 2HD ARG 12 3.097 -7.655 -15.910
105 HD3 ARG 12 3HD ARG 12 4.201 -6.308 -15.637
106 HE ARG 12 HE ARG 12 4.455 -8.959 -14.625
107 HH11 ARG 12 1HH1 ARG 12 5.116 -5.617 -13.907
108 HH12 ARG 12 2HH1 ARG 12 6.456 -5.970 -12.868
109 HH21 ARG 12 1HH2 ARG 12 6.218 -9.437 -13.260
110 HH22 ARG 12 2HH2 ARG 12 7.083 -8.143 -12.501
111 H LYS 13 H LYS 13 0.191 -7.914 -14.446
112 HA LYS 13 HA LYS 13 -0.163 -8.690 -17.109
113 HB2 LYS 13 2HB LYS 13 -1.148 -10.135 -14.643
114 HB3 LYS 13 3HB LYS 13 -0.857 -10.849 -16.224
115 HG2 LYS 13 2HG LYS 13 1.493 -10.522 -16.025
116 HG3 LYS 13 3HG LYS 13 1.290 -9.548 -14.567
117 HD2 LYS 13 2HD LYS 13 0.193 -11.638 -13.560
118 HD3 LYS 13 3HD LYS 13 0.905 -12.506 -14.923
119 HE2 LYS 13 2HE LYS 13 3.090 -11.274 -14.158
120 HE3 LYS 13 3HE LYS 13 2.237 -11.153 -12.621
121 HZ1 LYS 13 3HZ LYS 13 2.187 -13.776 -13.836
122 HZ2 LYS 13 1HZ LYS 13 2.471 -13.332 -12.229
123 HZ3 LYS 13 2HZ LYS 13 3.724 -13.252 -13.362
124 H LEU 14 H LEU 14 -2.556 -8.079 -14.561
125 HA LEU 14 HA LEU 14 -4.791 -8.662 -16.253
126 HB2 LEU 14 2HB LEU 14 -4.581 -7.290 -13.580
127 HB3 LEU 14 3HB LEU 14 -6.109 -7.636 -14.388
128 HG LEU 14 HG LEU 14 -4.115 -9.691 -13.433
129 HD11 LEU 14 1HD1 LEU 14 -5.118 -8.832 -11.508
130 HD12 LEU 14 2HD1 LEU 14 -6.088 -10.250 -11.903
131 HD13 LEU 14 3HD1 LEU 14 -6.683 -8.638 -12.298
132 HD21 LEU 14 3HD2 LEU 14 -6.866 -10.036 -14.620
133 HD22 LEU 14 1HD2 LEU 14 -5.824 -11.320 -14.009
134 HD23 LEU 14 2HD2 LEU 14 -5.343 -10.398 -15.433
135 H THR 15 H THR 15 -3.326 -5.680 -14.998
136 HA THR 15 HA THR 15 -5.060 -3.798 -15.988
137 HB THR 15 HB THR 15 -3.269 -2.203 -15.951
138 HG1 THR 15 HG1 THR 15 -1.238 -2.738 -16.352
139 HG21 THR 15 3HG2 THR 15 -2.002 -3.453 -13.804
140 HG22 THR 15 1HG2 THR 15 -3.625 -4.141 -13.834
141 HG23 THR 15 2HG2 THR 15 -3.409 -2.393 -13.731
142 H HIS 16 H HIS 16 -2.555 -5.566 -17.720
143 HA HIS 16 HA HIS 16 -3.067 -4.096 -20.175
144 HB2 HIS 16 2HB HIS 16 -0.764 -4.942 -19.365
145 HB3 HIS 16 3HB HIS 16 -1.301 -6.520 -19.935
146 HD1 HIS 16 HD1 HIS 16 -0.150 -3.188 -21.128
147 HD2 HIS 16 HD2 HIS 16 -1.513 -6.768 -22.737
148 HE1 HIS 16 HE1 HIS 16 0.382 -3.068 -23.582
149 H ARG 17 H ARG 17 -3.927 -7.096 -18.664
150 HA ARG 17 HA ARG 17 -5.114 -8.090 -21.155
151 HB2 ARG 17 2HB ARG 17 -4.539 -9.422 -18.510
152 HB3 ARG 17 3HB ARG 17 -5.479 -10.189 -19.783
153 HG2 ARG 17 2HG ARG 17 -3.596 -10.140 -21.276
154 HG3 ARG 17 3HG ARG 17 -2.649 -9.217 -20.107
155 HD2 ARG 17 2HD ARG 17 -1.857 -11.267 -19.575
156 HD3 ARG 17 3HD ARG 17 -3.312 -11.318 -18.581
157 HE ARG 17 HE ARG 17 -4.150 -12.944 -19.956
158 HH11 ARG 17 1HH1 ARG 17 -1.478 -11.375 -21.543
159 HH12 ARG 17 2HH1 ARG 17 -1.433 -12.498 -22.862
160 HH21 ARG 17 1HH2 ARG 17 -4.101 -14.428 -21.687
161 HH22 ARG 17 2HH2 ARG 17 -2.926 -14.233 -22.943
162 H LEU 18 H LEU 18 -6.271 -8.852 -17.936
163 HA LEU 18 HA LEU 18 -8.805 -7.487 -18.567
164 HB2 LEU 18 2HB LEU 18 -9.944 -9.306 -17.322
165 HB3 LEU 18 3HB LEU 18 -9.171 -9.829 -18.817
166 HG LEU 18 HG LEU 18 -7.419 -10.169 -16.535
167 HD11 LEU 18 1HD1 LEU 18 -9.966 -11.772 -16.485
168 HD12 LEU 18 2HD1 LEU 18 -9.640 -10.414 -15.409
169 HD13 LEU 18 3HD1 LEU 18 -8.617 -11.850 -15.351
170 HD21 LEU 18 3HD2 LEU 18 -7.126 -12.343 -17.477
171 HD22 LEU 18 1HD2 LEU 18 -7.223 -11.191 -18.809
172 HD23 LEU 18 2HD2 LEU 18 -8.615 -12.199 -18.414
173 H PHE 19 H PHE 19 -7.791 -5.714 -17.346
174 HA PHE 19 HA PHE 19 -6.964 -5.785 -14.723
175 HB2 PHE 19 2HB PHE 19 -7.011 -3.798 -16.331
176 HB3 PHE 19 3HB PHE 19 -8.677 -3.556 -15.815
177 HD1 PHE 19 HD1 PHE 19 -5.644 -4.510 -13.878
178 HD2 PHE 19 HD2 PHE 19 -8.709 -1.633 -14.544
179 HE1 PHE 19 HE1 PHE 19 -4.850 -3.220 -11.939
180 HE2 PHE 19 HE2 PHE 19 -7.920 -0.338 -12.607
181 HZ PHE 19 HZ PHE 19 -5.987 -1.130 -11.301
182 H ARG 20 H ARG 20 -10.234 -4.713 -15.658
183 HA ARG 20 HA ARG 20 -11.208 -5.707 -13.072
184 HB2 ARG 20 2HB ARG 20 -13.014 -4.162 -13.260
185 HB3 ARG 20 3HB ARG 20 -11.548 -3.289 -13.681
186 HG2 ARG 20 2HG ARG 20 -12.291 -4.083 -16.124
187 HG3 ARG 20 3HG ARG 20 -13.873 -4.009 -15.346
188 HD2 ARG 20 2HD ARG 20 -12.545 -1.688 -14.542
189 HD3 ARG 20 3HD ARG 20 -12.167 -1.868 -16.255
190 HE ARG 20 HE ARG 20 -14.862 -2.276 -16.100
191 HH11 ARG 20 1HH1 ARG 20 -12.693 0.274 -15.143
192 HH12 ARG 20 2HH1 ARG 20 -13.868 1.530 -15.356
193 HH21 ARG 20 1HH2 ARG 20 -16.417 -0.631 -16.384
194 HH22 ARG 20 2HH2 ARG 20 -15.985 1.014 -16.061
195 H ARG 21 H ARG 21 -11.534 -6.066 -16.512
196 HA ARG 21 HA ARG 21 -14.005 -7.374 -16.644
197 HB2 ARG 21 2HB ARG 21 -11.995 -6.680 -18.440
198 HB3 ARG 21 3HB ARG 21 -12.064 -8.434 -18.530
199 HG2 ARG 21 2HG ARG 21 -13.950 -8.383 -19.698
200 HG3 ARG 21 3HG ARG 21 -14.708 -7.269 -18.557
201 HD2 ARG 21 2HD ARG 21 -13.370 -5.432 -19.659
202 HD3 ARG 21 3HD ARG 21 -12.947 -6.604 -20.906
203 HE ARG 21 HE ARG 21 -15.472 -5.273 -20.561
204 HH11 ARG 21 1HH1 ARG 21 -13.860 -8.066 -21.873
205 HH12 ARG 21 2HH1 ARG 21 -15.081 -8.373 -23.064
206 HH21 ARG 21 1HH2 ARG 21 -17.086 -5.667 -22.124
207 HH22 ARG 21 2HH2 ARG 21 -16.915 -7.007 -23.206
Start of MODEL 16
1 H1 LYS 1 H LYS 1 1.441 -1.001 0.359
2 HA LYS 1 HA LYS 1 2.037 0.835 -1.853
3 HB2 LYS 1 2HB LYS 1 3.708 -0.555 -0.140
4 HB3 LYS 1 3HB LYS 1 3.746 -1.522 -1.609
5 HG2 LYS 1 2HG LYS 1 5.350 -0.123 -2.267
6 HG3 LYS 1 3HG LYS 1 4.037 1.012 -2.587
7 HD2 LYS 1 2HD LYS 1 4.403 1.479 0.030
8 HD3 LYS 1 3HD LYS 1 6.039 0.980 -0.409
9 HE2 LYS 1 2HE LYS 1 6.377 3.061 -1.122
10 HE3 LYS 1 3HE LYS 1 5.263 2.710 -2.442
11 HZ1 LYS 1 3HZ LYS 1 3.442 3.442 -0.935
12 HZ2 LYS 1 1HZ LYS 1 4.522 4.672 -1.363
13 HZ3 LYS 1 2HZ LYS 1 4.614 3.960 0.168
14 H TYR 2 H TYR 2 -0.337 -0.829 -1.830
15 HA TYR 2 HA TYR 2 0.268 -2.571 -4.130
16 HB2 TYR 2 2HB TYR 2 -0.453 -3.808 -2.088
17 HB3 TYR 2 3HB TYR 2 -1.976 -2.928 -2.133
18 HD1 TYR 2 HD2 TYR 2 -0.585 -3.762 -5.347
19 HD2 TYR 2 HD1 TYR 2 -3.034 -5.215 -2.186
20 HE1 TYR 2 HE2 TYR 2 -1.518 -5.461 -6.859
21 HE2 TYR 2 HE1 TYR 2 -3.974 -6.919 -3.690
22 HH TYR 2 HH TYR 2 -3.726 -7.948 -5.691
23 H GLU 3 H GLU 3 -0.296 0.206 -4.329
24 HA GLU 3 HA GLU 3 -2.931 0.126 -5.648
25 HB2 GLU 3 2HB GLU 3 -2.960 2.633 -5.244
26 HB3 GLU 3 3HB GLU 3 -3.175 1.615 -3.827
27 HG2 GLU 3 2HG GLU 3 -0.769 1.912 -3.312
28 HG3 GLU 3 3HG GLU 3 -0.661 3.041 -4.662
29 H ILE 4 H ILE 4 0.283 1.636 -5.698
30 HA ILE 4 HA ILE 4 0.044 1.826 -8.628
31 HB ILE 4 HB ILE 4 -0.077 4.057 -7.418
32 HG12 ILE 4 2HG1 ILE 4 2.178 3.597 -9.383
33 HG13 ILE 4 3HG1 ILE 4 0.488 3.866 -9.795
34 HG21 ILE 4 1HG2 ILE 4 2.885 3.840 -7.097
35 HG22 ILE 4 2HG2 ILE 4 1.751 4.948 -6.326
36 HG23 ILE 4 3HG2 ILE 4 1.814 3.259 -5.822
37 HD11 ILE 4 3HD1 ILE 4 2.581 5.773 -9.076
38 HD12 ILE 4 1HD1 ILE 4 1.125 5.990 -10.046
39 HD13 ILE 4 2HD1 ILE 4 1.030 6.056 -8.286
40 H THR 5 H THR 5 1.698 0.548 -6.024
41 HA THR 5 HA THR 5 4.235 0.324 -7.478
42 HB THR 5 HB THR 5 3.496 -0.188 -4.602
43 HG1 THR 5 HG1 THR 5 5.110 1.640 -6.020
44 HG21 THR 5 3HG2 THR 5 5.957 -1.042 -6.106
45 HG22 THR 5 1HG2 THR 5 4.919 -2.011 -5.061
46 HG23 THR 5 2HG2 THR 5 5.968 -0.777 -4.362
47 H THR 6 H THR 6 2.568 -1.921 -5.283
48 HA THR 6 HA THR 6 3.479 -4.207 -6.707
49 HB THR 6 HB THR 6 1.225 -4.115 -4.697
50 HG1 THR 6 HG1 THR 6 3.167 -4.797 -3.318
51 HG21 THR 6 3HG2 THR 6 3.060 -6.400 -4.768
52 HG22 THR 6 1HG2 THR 6 2.094 -6.205 -6.230
53 HG23 THR 6 2HG2 THR 6 1.300 -6.363 -4.663
54 H ILE 7 H ILE 7 0.628 -2.230 -6.873
55 HA ILE 7 HA ILE 7 -1.074 -4.068 -8.189
56 HB ILE 7 HB ILE 7 -1.173 -1.292 -7.434
57 HG12 ILE 7 2HG1 ILE 7 -3.287 -3.301 -8.244
58 HG13 ILE 7 3HG1 ILE 7 -2.698 -3.007 -6.611
59 HG21 ILE 7 1HG2 ILE 7 -0.939 -0.797 -9.790
60 HG22 ILE 7 2HG2 ILE 7 -2.220 -1.942 -10.186
61 HG23 ILE 7 3HG2 ILE 7 -2.595 -0.478 -9.276
62 HD11 ILE 7 3HD1 ILE 7 -4.363 -1.575 -6.367
63 HD12 ILE 7 1HD1 ILE 7 -3.551 -0.523 -7.526
64 HD13 ILE 7 2HD1 ILE 7 -4.772 -1.670 -8.080
65 H HIS 8 H HIS 8 1.540 -2.071 -9.270
66 HA HIS 8 HA HIS 8 0.815 -2.333 -12.073
67 HB2 HIS 8 2HB HIS 8 2.489 -0.581 -10.532
68 HB3 HIS 8 3HB HIS 8 3.440 -1.307 -11.824
69 HD1 HIS 8 HD1 HIS 8 2.328 -1.024 -14.300
70 HD2 HIS 8 HD2 HIS 8 0.975 1.531 -11.316
71 HE1 HIS 8 HE1 HIS 8 1.212 0.883 -15.502
72 H ASN 9 H ASN 9 2.126 -4.350 -9.882
73 HA ASN 9 HA ASN 9 3.854 -5.647 -11.887
74 HB2 ASN 9 2HB ASN 9 4.183 -6.058 -8.925
75 HB3 ASN 9 3HB ASN 9 5.344 -6.357 -10.215
76 HD21 ASN 9 1HD2 ASN 9 5.459 -4.736 -7.722
77 HD22 ASN 9 2HD2 ASN 9 5.962 -3.165 -8.236
78 H LEU 10 H LEU 10 1.337 -5.998 -9.505
79 HA LEU 10 HA LEU 10 1.143 -8.872 -10.070
80 HB2 LEU 10 2HB LEU 10 1.204 -8.390 -7.737
81 HB3 LEU 10 3HB LEU 10 -0.036 -7.149 -7.903
82 HG LEU 10 HG LEU 10 -1.710 -8.852 -8.358
83 HD11 LEU 10 1HD1 LEU 10 0.544 -10.453 -8.952
84 HD12 LEU 10 2HD1 LEU 10 -1.163 -10.862 -9.108
85 HD13 LEU 10 3HD1 LEU 10 -0.309 -11.209 -7.605
86 HD21 LEU 10 3HD2 LEU 10 -0.413 -10.003 -5.973
87 HD22 LEU 10 1HD2 LEU 10 -2.036 -9.345 -6.181
88 HD23 LEU 10 2HD2 LEU 10 -0.666 -8.258 -5.952
89 H PHE 11 H PHE 11 -0.160 -5.946 -11.027
90 HA PHE 11 HA PHE 11 -2.603 -7.278 -11.998
91 HB2 PHE 11 2HB PHE 11 -2.465 -5.064 -10.299
92 HB3 PHE 11 3HB PHE 11 -2.838 -4.389 -11.881
93 HD1 PHE 11 HD2 PHE 11 -3.990 -6.670 -9.242
94 HD2 PHE 11 HD1 PHE 11 -4.953 -4.751 -12.917
95 HE1 PHE 11 HE2 PHE 11 -6.349 -7.305 -8.951
96 HE2 PHE 11 HE1 PHE 11 -7.314 -5.382 -12.631
97 HZ PHE 11 HZ PHE 11 -8.014 -6.662 -10.647
98 H ARG 12 H ARG 12 0.290 -6.303 -12.965
99 HA ARG 12 HA ARG 12 -0.156 -4.593 -15.149
100 HB2 ARG 12 2HB ARG 12 2.023 -5.557 -16.005
101 HB3 ARG 12 3HB ARG 12 2.077 -4.856 -14.393
102 HG2 ARG 12 2HG ARG 12 2.830 -6.757 -13.552
103 HG3 ARG 12 3HG ARG 12 1.435 -7.630 -14.188
104 HD2 ARG 12 2HD ARG 12 2.580 -8.426 -15.957
105 HD3 ARG 12 3HD ARG 12 3.479 -6.926 -16.177
106 HE ARG 12 HE ARG 12 5.177 -7.802 -14.919
107 HH11 ARG 12 1HH1 ARG 12 2.297 -9.694 -14.419
108 HH12 ARG 12 2HH1 ARG 12 3.105 -10.921 -13.501
109 HH21 ARG 12 1HH2 ARG 12 6.252 -9.412 -13.712
110 HH22 ARG 12 2HH2 ARG 12 5.355 -10.759 -13.099
111 H LYS 13 H LYS 13 -0.607 -8.013 -14.741
112 HA LYS 13 HA LYS 13 -0.802 -8.573 -17.563
113 HB2 LYS 13 2HB LYS 13 -1.326 -10.824 -16.909
114 HB3 LYS 13 3HB LYS 13 -0.012 -10.250 -15.891
115 HG2 LYS 13 2HG LYS 13 -2.285 -9.591 -14.464
116 HG3 LYS 13 3HG LYS 13 -2.661 -11.167 -15.165
117 HD2 LYS 13 2HD LYS 13 -0.144 -10.536 -13.624
118 HD3 LYS 13 3HD LYS 13 -1.577 -11.298 -12.930
119 HE2 LYS 13 2HE LYS 13 -1.344 -13.190 -14.393
120 HE3 LYS 13 3HE LYS 13 -0.033 -12.404 -15.271
121 HZ1 LYS 13 3HZ LYS 13 0.929 -12.363 -12.790
122 HZ2 LYS 13 1HZ LYS 13 1.228 -13.618 -13.884
123 HZ3 LYS 13 2HZ LYS 13 0.012 -13.783 -12.720
124 H LEU 14 H LEU 14 -2.788 -7.042 -15.414
125 HA LEU 14 HA LEU 14 -5.225 -7.913 -16.821
126 HB2 LEU 14 2HB LEU 14 -4.814 -6.807 -14.057
127 HB3 LEU 14 3HB LEU 14 -6.399 -6.860 -14.826
128 HG LEU 14 HG LEU 14 -4.745 -9.341 -14.463
129 HD11 LEU 14 1HD1 LEU 14 -6.792 -8.300 -12.515
130 HD12 LEU 14 2HD1 LEU 14 -5.049 -8.188 -12.274
131 HD13 LEU 14 3HD1 LEU 14 -5.824 -9.768 -12.376
132 HD21 LEU 14 3HD2 LEU 14 -6.454 -9.978 -15.805
133 HD22 LEU 14 1HD2 LEU 14 -7.502 -8.659 -15.283
134 HD23 LEU 14 2HD2 LEU 14 -7.309 -10.086 -14.265
135 H THR 15 H THR 15 -3.597 -5.079 -15.429
136 HA THR 15 HA THR 15 -5.298 -3.084 -16.291
137 HB THR 15 HB THR 15 -3.474 -1.541 -16.107
138 HG1 THR 15 HG1 THR 15 -1.475 -2.086 -16.586
139 HG21 THR 15 3HG2 THR 15 -2.278 -3.028 -14.047
140 HG22 THR 15 1HG2 THR 15 -3.950 -3.580 -14.137
141 HG23 THR 15 2HG2 THR 15 -3.598 -1.867 -13.906
142 H HIS 16 H HIS 16 -2.792 -4.785 -18.091
143 HA HIS 16 HA HIS 16 -3.203 -3.139 -20.446
144 HB2 HIS 16 2HB HIS 16 -1.178 -4.995 -19.505
145 HB3 HIS 16 3HB HIS 16 -1.628 -5.323 -21.175
146 HD1 HIS 16 HD1 HIS 16 0.857 -3.609 -19.490
147 HD2 HIS 16 HD2 HIS 16 -1.736 -2.498 -22.540
148 HE1 HIS 16 HE1 HIS 16 1.947 -1.642 -20.615
149 H ARG 17 H ARG 17 -4.213 -6.206 -19.176
150 HA ARG 17 HA ARG 17 -5.357 -6.999 -21.751
151 HB2 ARG 17 2HB ARG 17 -4.925 -8.450 -19.149
152 HB3 ARG 17 3HB ARG 17 -5.957 -9.106 -20.412
153 HG2 ARG 17 2HG ARG 17 -3.865 -10.122 -20.710
154 HG3 ARG 17 3HG ARG 17 -3.968 -8.882 -21.962
155 HD2 ARG 17 2HD ARG 17 -2.229 -7.750 -21.129
156 HD3 ARG 17 3HD ARG 17 -2.820 -7.896 -19.474
157 HE ARG 17 HE ARG 17 -1.879 -10.365 -19.971
158 HH11 ARG 17 1HH1 ARG 17 -0.505 -7.196 -20.410
159 HH12 ARG 17 2HH1 ARG 17 1.126 -7.726 -20.163
160 HH21 ARG 17 1HH2 ARG 17 0.264 -11.075 -19.643
161 HH22 ARG 17 2HH2 ARG 17 1.562 -9.933 -19.728
162 H LEU 18 H LEU 18 -6.743 -7.836 -18.648
163 HA LEU 18 HA LEU 18 -9.144 -6.275 -19.341
164 HB2 LEU 18 2HB LEU 18 -10.457 -8.081 -18.238
165 HB3 LEU 18 3HB LEU 18 -9.661 -8.560 -19.736
166 HG LEU 18 HG LEU 18 -8.291 -9.135 -17.155
167 HD11 LEU 18 1HD1 LEU 18 -10.174 -11.186 -18.145
168 HD12 LEU 18 2HD1 LEU 18 -10.870 -9.825 -17.266
169 HD13 LEU 18 3HD1 LEU 18 -9.638 -10.830 -16.502
170 HD21 LEU 18 3HD2 LEU 18 -7.923 -9.745 -19.880
171 HD22 LEU 18 1HD2 LEU 18 -8.358 -11.253 -19.074
172 HD23 LEU 18 2HD2 LEU 18 -6.979 -10.313 -18.502
173 H PHE 19 H PHE 19 -8.094 -4.636 -17.972
174 HA PHE 19 HA PHE 19 -7.465 -4.934 -15.292
175 HB2 PHE 19 2HB PHE 19 -7.155 -2.886 -16.802
176 HB3 PHE 19 3HB PHE 19 -8.814 -2.470 -16.383
177 HD1 PHE 19 HD1 PHE 19 -6.049 -3.866 -14.316
178 HD2 PHE 19 HD2 PHE 19 -8.722 -0.626 -15.004
179 HE1 PHE 19 HE1 PHE 19 -5.250 -2.775 -12.260
180 HE2 PHE 19 HE2 PHE 19 -7.927 0.471 -12.951
181 HZ PHE 19 HZ PHE 19 -6.188 -0.603 -11.576
182 H ARG 20 H ARG 20 -10.564 -4.840 -16.833
183 HA ARG 20 HA ARG 20 -11.953 -4.505 -14.284
184 HB2 ARG 20 2HB ARG 20 -14.007 -4.476 -15.701
185 HB3 ARG 20 3HB ARG 20 -12.855 -3.206 -16.092
186 HG2 ARG 20 2HG ARG 20 -12.480 -5.645 -17.650
187 HG3 ARG 20 3HG ARG 20 -14.050 -4.875 -17.889
188 HD2 ARG 20 2HD ARG 20 -11.458 -3.355 -18.017
189 HD3 ARG 20 3HD ARG 20 -12.168 -4.139 -19.427
190 HE ARG 20 HE ARG 20 -13.001 -1.689 -18.228
191 HH11 ARG 20 1HH1 ARG 20 -14.129 -4.483 -19.971
192 HH12 ARG 20 2HH1 ARG 20 -15.497 -3.667 -20.653
193 HH21 ARG 20 1HH2 ARG 20 -14.799 -0.604 -19.119
194 HH22 ARG 20 2HH2 ARG 20 -15.876 -1.461 -20.169
195 H ARG 21 H ARG 21 -10.390 -6.912 -14.902
196 HA ARG 21 HA ARG 21 -11.864 -9.102 -15.695
197 HB2 ARG 21 2HB ARG 21 -10.324 -10.462 -14.427
198 HB3 ARG 21 3HB ARG 21 -9.442 -9.124 -15.151
199 HG2 ARG 21 2HG ARG 21 -8.558 -9.052 -13.066
200 HG3 ARG 21 3HG ARG 21 -9.954 -8.004 -12.807
201 HD2 ARG 21 2HD ARG 21 -11.118 -9.624 -11.640
202 HD3 ARG 21 3HD ARG 21 -10.211 -10.947 -12.372
203 HE ARG 21 HE ARG 21 -8.617 -10.725 -10.733
204 HH11 ARG 21 1HH1 ARG 21 -10.737 -7.965 -10.679
205 HH12 ARG 21 2HH1 ARG 21 -10.106 -7.345 -9.189
206 HH21 ARG 21 1HH2 ARG 21 -7.778 -9.920 -8.771
207 HH22 ARG 21 2HH2 ARG 21 -8.422 -8.458 -8.105
Start of MODEL 17
1 H1 LYS 1 H LYS 1 1.005 -1.625 0.608
2 HA LYS 1 HA LYS 1 1.691 0.504 -0.706
3 HB2 LYS 1 2HB LYS 1 4.104 -1.294 -0.796
4 HB3 LYS 1 3HB LYS 1 3.805 -0.090 -2.043
5 HG2 LYS 1 2HG LYS 1 3.527 1.389 0.226
6 HG3 LYS 1 3HG LYS 1 4.777 0.234 0.694
7 HD2 LYS 1 2HD LYS 1 6.264 1.469 -0.405
8 HD3 LYS 1 3HD LYS 1 5.420 1.088 -1.908
9 HE2 LYS 1 2HE LYS 1 4.218 3.065 -1.884
10 HE3 LYS 1 3HE LYS 1 4.411 3.280 -0.144
11 HZ1 LYS 1 3HZ LYS 1 5.896 4.476 -2.115
12 HZ2 LYS 1 1HZ LYS 1 6.924 3.291 -1.481
13 HZ3 LYS 1 2HZ LYS 1 6.248 4.458 -0.460
14 H TYR 2 H TYR 2 -0.338 -0.894 -1.197
15 HA TYR 2 HA TYR 2 0.145 -2.332 -3.725
16 HB2 TYR 2 2HB TYR 2 -0.822 -3.544 -1.561
17 HB3 TYR 2 3HB TYR 2 -2.332 -2.860 -2.153
18 HD1 TYR 2 HD2 TYR 2 -1.760 -3.068 -5.113
19 HD2 TYR 2 HD1 TYR 2 -1.218 -5.841 -1.932
20 HE1 TYR 2 HE2 TYR 2 -1.984 -4.930 -6.705
21 HE2 TYR 2 HE1 TYR 2 -1.439 -7.710 -3.515
22 HH TYR 2 HH TYR 2 -1.507 -7.208 -6.951
23 H GLU 3 H GLU 3 -0.155 0.419 -3.701
24 HA GLU 3 HA GLU 3 -2.881 0.782 -4.759
25 HB2 GLU 3 2HB GLU 3 -1.039 2.890 -3.619
26 HB3 GLU 3 3HB GLU 3 -2.669 3.157 -4.219
27 HG2 GLU 3 2HG GLU 3 -3.113 1.228 -2.373
28 HG3 GLU 3 3HG GLU 3 -1.752 2.084 -1.651
29 H ILE 4 H ILE 4 0.345 2.272 -5.098
30 HA ILE 4 HA ILE 4 -0.017 2.163 -8.018
31 HB ILE 4 HB ILE 4 1.422 4.423 -6.651
32 HG12 ILE 4 2HG1 ILE 4 -0.881 4.468 -5.847
33 HG13 ILE 4 3HG1 ILE 4 -0.616 5.780 -6.989
34 HG21 ILE 4 1HG2 ILE 4 1.282 3.601 -9.289
35 HG22 ILE 4 2HG2 ILE 4 0.136 4.937 -9.196
36 HG23 ILE 4 3HG2 ILE 4 1.813 5.179 -8.709
37 HD11 ILE 4 3HD1 ILE 4 -2.421 5.091 -8.061
38 HD12 ILE 4 1HD1 ILE 4 -1.522 3.648 -8.532
39 HD13 ILE 4 2HD1 ILE 4 -2.518 3.632 -7.076
40 H THR 5 H THR 5 1.558 0.686 -5.781
41 HA THR 5 HA THR 5 4.218 0.908 -7.025
42 HB THR 5 HB THR 5 3.388 0.059 -4.258
43 HG1 THR 5 HG1 THR 5 4.223 1.941 -3.786
44 HG21 THR 5 3HG2 THR 5 6.053 -0.393 -5.604
45 HG22 THR 5 1HG2 THR 5 4.951 -1.630 -5.003
46 HG23 THR 5 2HG2 THR 5 5.763 -0.548 -3.872
47 H THR 6 H THR 6 2.218 -1.565 -5.403
48 HA THR 6 HA THR 6 3.411 -3.608 -7.121
49 HB THR 6 HB THR 6 2.523 -5.246 -5.627
50 HG1 THR 6 HG1 THR 6 1.216 -4.369 -3.773
51 HG21 THR 6 3HG2 THR 6 3.348 -4.382 -3.383
52 HG22 THR 6 1HG2 THR 6 3.645 -2.846 -4.195
53 HG23 THR 6 2HG2 THR 6 4.493 -4.299 -4.721
54 H ILE 7 H ILE 7 0.599 -1.717 -6.886
55 HA ILE 7 HA ILE 7 -1.367 -3.448 -7.875
56 HB ILE 7 HB ILE 7 -1.336 -0.826 -7.111
57 HG12 ILE 7 2HG1 ILE 7 -3.568 -1.981 -8.773
58 HG13 ILE 7 3HG1 ILE 7 -3.197 -2.593 -7.165
59 HG21 ILE 7 1HG2 ILE 7 -1.853 -0.873 -10.081
60 HG22 ILE 7 2HG2 ILE 7 -2.133 0.497 -9.009
61 HG23 ILE 7 3HG2 ILE 7 -0.492 -0.093 -9.275
62 HD11 ILE 7 3HD1 ILE 7 -3.689 -0.473 -6.180
63 HD12 ILE 7 1HD1 ILE 7 -3.867 0.275 -7.767
64 HD13 ILE 7 2HD1 ILE 7 -5.033 -0.933 -7.225
65 H HIS 8 H HIS 8 1.233 -1.769 -9.465
66 HA HIS 8 HA HIS 8 0.207 -2.614 -12.088
67 HB2 HIS 8 2HB HIS 8 1.538 -0.236 -11.174
68 HB3 HIS 8 3HB HIS 8 2.513 -1.013 -12.419
69 HD1 HIS 8 HD1 HIS 8 0.125 1.504 -12.187
70 HD2 HIS 8 HD2 HIS 8 0.517 -1.795 -14.682
71 HE1 HIS 8 HE1 HIS 8 -1.265 2.027 -14.216
72 H ASN 9 H ASN 9 2.022 -3.872 -9.772
73 HA ASN 9 HA ASN 9 4.063 -4.949 -11.600
74 HB2 ASN 9 2HB ASN 9 4.076 -4.900 -8.573
75 HB3 ASN 9 3HB ASN 9 5.370 -5.506 -9.604
76 HD21 ASN 9 1HD2 ASN 9 6.318 -3.793 -8.013
77 HD22 ASN 9 2HD2 ASN 9 6.489 -2.211 -8.685
78 H LEU 10 H LEU 10 1.571 -5.773 -9.266
79 HA LEU 10 HA LEU 10 1.917 -8.619 -9.917
80 HB2 LEU 10 2HB LEU 10 2.031 -8.233 -7.571
81 HB3 LEU 10 3HB LEU 10 0.581 -7.232 -7.605
82 HG LEU 10 HG LEU 10 -0.802 -9.165 -8.004
83 HD11 LEU 10 1HD1 LEU 10 0.813 -10.394 -9.415
84 HD12 LEU 10 2HD1 LEU 10 0.078 -11.400 -8.166
85 HD13 LEU 10 3HD1 LEU 10 1.726 -10.805 -7.963
86 HD21 LEU 10 3HD2 LEU 10 0.642 -10.463 -5.903
87 HD22 LEU 10 1HD2 LEU 10 -0.850 -9.526 -5.816
88 HD23 LEU 10 2HD2 LEU 10 0.709 -8.715 -5.673
89 H PHE 11 H PHE 11 0.140 -6.011 -10.839
90 HA PHE 11 HA PHE 11 -2.166 -7.695 -11.569
91 HB2 PHE 11 2HB PHE 11 -2.206 -5.373 -10.025
92 HB3 PHE 11 3HB PHE 11 -2.730 -4.846 -11.621
93 HD1 PHE 11 HD1 PHE 11 -3.458 -7.157 -8.843
94 HD2 PHE 11 HD2 PHE 11 -4.863 -5.417 -12.464
95 HE1 PHE 11 HE1 PHE 11 -5.712 -8.030 -8.384
96 HE2 PHE 11 HE2 PHE 11 -7.120 -6.286 -12.010
97 HZ PHE 11 HZ PHE 11 -7.547 -7.594 -9.968
98 H ARG 12 H ARG 12 0.501 -6.134 -12.714
99 HA ARG 12 HA ARG 12 -0.232 -4.740 -14.965
100 HB2 ARG 12 2HB ARG 12 1.948 -5.686 -15.956
101 HB3 ARG 12 3HB ARG 12 2.054 -4.745 -14.474
102 HG2 ARG 12 2HG ARG 12 2.665 -6.531 -13.216
103 HG3 ARG 12 3HG ARG 12 1.752 -7.677 -14.199
104 HD2 ARG 12 2HD ARG 12 3.670 -8.263 -15.158
105 HD3 ARG 12 3HD ARG 12 3.717 -6.664 -15.898
106 HE ARG 12 HE ARG 12 4.759 -6.421 -13.332
107 HH11 ARG 12 1HH1 ARG 12 5.532 -8.042 -16.315
108 HH12 ARG 12 2HH1 ARG 12 7.242 -8.017 -16.037
109 HH21 ARG 12 1HH2 ARG 12 7.008 -6.382 -12.955
110 HH22 ARG 12 2HH2 ARG 12 8.080 -7.074 -14.125
111 H LYS 13 H LYS 13 -0.125 -8.220 -14.491
112 HA LYS 13 HA LYS 13 -0.436 -9.003 -17.174
113 HB2 LYS 13 2HB LYS 13 -1.408 -10.429 -14.691
114 HB3 LYS 13 3HB LYS 13 -1.171 -11.155 -16.275
115 HG2 LYS 13 2HG LYS 13 0.976 -11.517 -15.866
116 HG3 LYS 13 3HG LYS 13 1.231 -9.837 -15.388
117 HD2 LYS 13 2HD LYS 13 1.055 -10.305 -13.185
118 HD3 LYS 13 3HD LYS 13 -0.209 -11.511 -13.436
119 HE2 LYS 13 2HE LYS 13 1.463 -12.913 -12.819
120 HE3 LYS 13 3HE LYS 13 1.834 -12.821 -14.540
121 HZ1 LYS 13 3HZ LYS 13 3.563 -12.274 -12.531
122 HZ2 LYS 13 1HZ LYS 13 3.056 -10.729 -12.996
123 HZ3 LYS 13 2HZ LYS 13 3.743 -11.772 -14.136
124 H LEU 14 H LEU 14 -2.814 -8.312 -14.639
125 HA LEU 14 HA LEU 14 -5.059 -8.907 -16.323
126 HB2 LEU 14 2HB LEU 14 -4.842 -7.514 -13.661
127 HB3 LEU 14 3HB LEU 14 -6.369 -7.867 -14.467
128 HG LEU 14 HG LEU 14 -4.383 -9.861 -13.384
129 HD11 LEU 14 1HD1 LEU 14 -6.626 -10.477 -12.157
130 HD12 LEU 14 2HD1 LEU 14 -7.007 -8.786 -12.483
131 HD13 LEU 14 3HD1 LEU 14 -5.572 -9.201 -11.546
132 HD21 LEU 14 3HD2 LEU 14 -6.000 -11.569 -14.088
133 HD22 LEU 14 1HD2 LEU 14 -5.322 -10.695 -15.462
134 HD23 LEU 14 2HD2 LEU 14 -6.952 -10.323 -14.898
135 H THR 15 H THR 15 -3.594 -5.925 -15.061
136 HA THR 15 HA THR 15 -5.316 -4.051 -16.106
137 HB THR 15 HB THR 15 -3.541 -2.444 -15.998
138 HG1 THR 15 HG1 THR 15 -1.425 -2.992 -16.112
139 HG21 THR 15 3HG2 THR 15 -2.346 -3.701 -13.808
140 HG22 THR 15 1HG2 THR 15 -3.971 -4.379 -13.898
141 HG23 THR 15 2HG2 THR 15 -3.749 -2.633 -13.784
142 H HIS 16 H HIS 16 -2.747 -5.816 -17.740
143 HA HIS 16 HA HIS 16 -3.133 -4.337 -20.207
144 HB2 HIS 16 2HB HIS 16 -0.868 -4.989 -19.634
145 HB3 HIS 16 3HB HIS 16 -1.346 -6.681 -19.527
146 HD1 HIS 16 HD1 HIS 16 -1.081 -8.027 -21.600
147 HD2 HIS 16 HD2 HIS 16 -1.088 -3.945 -22.375
148 HE1 HIS 16 HE1 HIS 16 -0.546 -7.807 -24.047
149 H ARG 17 H ARG 17 -4.145 -7.314 -18.749
150 HA ARG 17 HA ARG 17 -5.273 -8.249 -21.292
151 HB2 ARG 17 2HB ARG 17 -4.812 -9.641 -18.653
152 HB3 ARG 17 3HB ARG 17 -5.718 -10.364 -19.976
153 HG2 ARG 17 2HG ARG 17 -3.801 -10.396 -21.381
154 HG3 ARG 17 3HG ARG 17 -2.879 -9.411 -20.242
155 HD2 ARG 17 2HD ARG 17 -2.132 -11.286 -19.315
156 HD3 ARG 17 3HD ARG 17 -3.778 -11.625 -18.782
157 HE ARG 17 HE ARG 17 -3.587 -12.482 -21.413
158 HH11 ARG 17 1HH1 ARG 17 -2.145 -13.237 -18.336
159 HH12 ARG 17 2HH1 ARG 17 -1.860 -14.900 -18.730
160 HH21 ARG 17 1HH2 ARG 17 -3.218 -14.669 -21.944
161 HH22 ARG 17 2HH2 ARG 17 -2.470 -15.713 -20.783
162 H LEU 18 H LEU 18 -6.535 -9.038 -18.119
163 HA LEU 18 HA LEU 18 -9.020 -7.607 -18.797
164 HB2 LEU 18 2HB LEU 18 -10.232 -9.414 -17.609
165 HB3 LEU 18 3HB LEU 18 -9.425 -9.940 -19.085
166 HG LEU 18 HG LEU 18 -7.779 -10.331 -16.718
167 HD11 LEU 18 1HD1 LEU 18 -10.058 -10.613 -15.736
168 HD12 LEU 18 2HD1 LEU 18 -9.049 -12.057 -15.674
169 HD13 LEU 18 3HD1 LEU 18 -10.327 -11.927 -16.881
170 HD21 LEU 18 3HD2 LEU 18 -7.422 -11.284 -18.995
171 HD22 LEU 18 1HD2 LEU 18 -8.847 -12.293 -18.741
172 HD23 LEU 18 2HD2 LEU 18 -7.435 -12.485 -17.702
173 H PHE 19 H PHE 19 -8.022 -5.866 -17.530
174 HA PHE 19 HA PHE 19 -7.247 -5.970 -14.896
175 HB2 PHE 19 2HB PHE 19 -7.258 -3.962 -16.472
176 HB3 PHE 19 3HB PHE 19 -8.936 -3.727 -15.994
177 HD1 PHE 19 HD2 PHE 19 -5.987 -4.731 -13.963
178 HD2 PHE 19 HD1 PHE 19 -8.966 -1.790 -14.733
179 HE1 PHE 19 HE2 PHE 19 -5.242 -3.464 -11.989
180 HE2 PHE 19 HE1 PHE 19 -8.226 -0.518 -12.761
181 HZ PHE 19 HZ PHE 19 -6.362 -1.356 -11.386
182 H ARG 20 H ARG 20 -10.499 -4.879 -15.867
183 HA ARG 20 HA ARG 20 -11.537 -6.110 -13.399
184 HB2 ARG 20 2HB ARG 20 -12.266 -3.557 -14.804
185 HB3 ARG 20 3HB ARG 20 -13.417 -4.357 -13.741
186 HG2 ARG 20 2HG ARG 20 -12.359 -3.682 -11.893
187 HG3 ARG 20 3HG ARG 20 -10.763 -4.018 -12.567
188 HD2 ARG 20 2HD ARG 20 -10.665 -1.737 -12.399
189 HD3 ARG 20 3HD ARG 20 -11.299 -1.905 -14.035
190 HE ARG 20 HE ARG 20 -13.495 -1.767 -12.368
191 HH11 ARG 20 1HH1 ARG 20 -10.779 0.255 -13.179
192 HH12 ARG 20 2HH1 ARG 20 -11.630 1.736 -12.893
193 HH21 ARG 20 1HH2 ARG 20 -14.626 0.178 -11.989
194 HH22 ARG 20 2HH2 ARG 20 -13.817 1.692 -12.215
195 H ARG 21 H ARG 21 -11.928 -5.708 -16.834
196 HA ARG 21 HA ARG 21 -14.495 -7.022 -16.927
197 HB2 ARG 21 2HB ARG 21 -14.281 -6.832 -19.348
198 HB3 ARG 21 3HB ARG 21 -13.900 -5.299 -18.576
199 HG2 ARG 21 2HG ARG 21 -11.444 -6.133 -18.728
200 HG3 ARG 21 3HG ARG 21 -12.087 -7.223 -19.958
201 HD2 ARG 21 2HD ARG 21 -13.115 -4.609 -20.429
202 HD3 ARG 21 3HD ARG 21 -11.368 -4.496 -20.219
203 HE ARG 21 HE ARG 21 -12.116 -6.616 -21.981
204 HH11 ARG 21 1HH1 ARG 21 -11.595 -3.180 -21.772
205 HH12 ARG 21 2HH1 ARG 21 -11.223 -3.002 -23.455
206 HH21 ARG 21 1HH2 ARG 21 -11.628 -6.394 -24.199
207 HH22 ARG 21 2HH2 ARG 21 -11.243 -4.831 -24.834
Start of MODEL 18
1 H1 LYS 1 H LYS 1 2.991 -2.371 0.637
2 HA LYS 1 HA LYS 1 1.901 -0.336 0.040
3 HB2 LYS 1 2HB LYS 1 4.151 0.086 -1.928
4 HB3 LYS 1 3HB LYS 1 2.895 1.233 -1.479
5 HG2 LYS 1 2HG LYS 1 3.847 1.151 0.864
6 HG3 LYS 1 3HG LYS 1 5.222 0.290 0.168
7 HD2 LYS 1 2HD LYS 1 4.726 2.558 -1.453
8 HD3 LYS 1 3HD LYS 1 4.710 3.095 0.228
9 HE2 LYS 1 2HE LYS 1 6.953 3.258 -0.586
10 HE3 LYS 1 3HE LYS 1 6.880 1.915 0.553
11 HZ1 LYS 1 3HZ LYS 1 6.784 1.651 -2.404
12 HZ2 LYS 1 1HZ LYS 1 6.780 0.378 -1.289
13 HZ3 LYS 1 2HZ LYS 1 8.146 1.363 -1.444
14 H TYR 2 H TYR 2 0.152 -0.905 -1.055
15 HA TYR 2 HA TYR 2 0.495 -2.280 -3.640
16 HB2 TYR 2 2HB TYR 2 -0.540 -3.509 -1.528
17 HB3 TYR 2 3HB TYR 2 -1.996 -2.662 -2.040
18 HD1 TYR 2 HD1 TYR 2 -1.496 -2.766 -5.027
19 HD2 TYR 2 HD2 TYR 2 -1.179 -5.736 -1.997
20 HE1 TYR 2 HE1 TYR 2 -1.926 -4.514 -6.704
21 HE2 TYR 2 HE2 TYR 2 -1.607 -7.492 -3.665
22 HH TYR 2 HH TYR 2 -2.406 -7.860 -5.787
23 H GLU 3 H GLU 3 0.437 0.466 -3.555
24 HA GLU 3 HA GLU 3 -2.254 1.084 -4.587
25 HB2 GLU 3 2HB GLU 3 -0.321 3.069 -3.387
26 HB3 GLU 3 3HB GLU 3 -1.991 3.359 -3.854
27 HG2 GLU 3 2HG GLU 3 -2.664 1.687 -2.111
28 HG3 GLU 3 3HG GLU 3 -0.987 1.688 -1.567
29 H ILE 4 H ILE 4 1.086 2.329 -4.791
30 HA ILE 4 HA ILE 4 0.758 2.453 -7.715
31 HB ILE 4 HB ILE 4 2.392 4.465 -6.191
32 HG12 ILE 4 2HG1 ILE 4 0.098 4.660 -5.373
33 HG13 ILE 4 3HG1 ILE 4 0.494 6.028 -6.406
34 HG21 ILE 4 1HG2 ILE 4 2.208 3.853 -8.870
35 HG22 ILE 4 2HG2 ILE 4 1.146 5.250 -8.697
36 HG23 ILE 4 3HG2 ILE 4 2.832 5.355 -8.189
37 HD11 ILE 4 3HD1 ILE 4 -1.287 5.601 -7.633
38 HD12 ILE 4 1HD1 ILE 4 -0.630 4.017 -8.044
39 HD13 ILE 4 2HD1 ILE 4 -1.660 4.204 -6.624
40 H THR 5 H THR 5 2.110 0.605 -5.675
41 HA THR 5 HA THR 5 4.803 0.672 -6.874
42 HB THR 5 HB THR 5 3.903 -0.201 -4.139
43 HG1 THR 5 HG1 THR 5 5.777 1.638 -5.206
44 HG21 THR 5 3HG2 THR 5 6.505 -0.896 -5.506
45 HG22 THR 5 1HG2 THR 5 5.254 -2.030 -4.997
46 HG23 THR 5 2HG2 THR 5 6.166 -1.123 -3.790
47 H THR 6 H THR 6 2.547 -1.655 -5.375
48 HA THR 6 HA THR 6 3.521 -3.713 -7.217
49 HB THR 6 HB THR 6 2.549 -5.345 -5.776
50 HG1 THR 6 HG1 THR 6 1.313 -4.572 -3.896
51 HG21 THR 6 3HG2 THR 6 3.548 -4.764 -3.561
52 HG22 THR 6 1HG2 THR 6 3.830 -3.134 -4.170
53 HG23 THR 6 2HG2 THR 6 4.635 -4.510 -4.926
54 H ILE 7 H ILE 7 0.961 -1.548 -6.866
55 HA ILE 7 HA ILE 7 -1.190 -3.078 -7.879
56 HB ILE 7 HB ILE 7 -0.817 -0.425 -7.016
57 HG12 ILE 7 2HG1 ILE 7 -3.263 -1.901 -8.012
58 HG13 ILE 7 3HG1 ILE 7 -2.663 -1.856 -6.358
59 HG21 ILE 7 1HG2 ILE 7 -0.455 0.192 -9.362
60 HG22 ILE 7 2HG2 ILE 7 -2.013 -0.518 -9.783
61 HG23 ILE 7 3HG2 ILE 7 -1.942 0.890 -8.723
62 HD11 ILE 7 3HD1 ILE 7 -3.124 0.552 -6.279
63 HD12 ILE 7 1HD1 ILE 7 -3.776 0.464 -7.915
64 HD13 ILE 7 2HD1 ILE 7 -4.570 -0.404 -6.601
65 H HIS 8 H HIS 8 1.470 -1.418 -9.390
66 HA HIS 8 HA HIS 8 0.351 -2.058 -12.039
67 HB2 HIS 8 2HB HIS 8 1.592 0.321 -11.016
68 HB3 HIS 8 3HB HIS 8 2.570 -0.327 -12.330
69 HD1 HIS 8 HD1 HIS 8 -0.243 1.809 -11.731
70 HD2 HIS 8 HD2 HIS 8 0.864 -0.832 -14.741
71 HE1 HIS 8 HE1 HIS 8 -1.633 2.444 -13.727
72 H ASN 9 H ASN 9 2.408 -3.252 -9.828
73 HA ASN 9 HA ASN 9 4.349 -4.201 -11.828
74 HB2 ASN 9 2HB ASN 9 5.803 -3.441 -10.273
75 HB3 ASN 9 3HB ASN 9 4.585 -3.432 -9.001
76 HD21 ASN 9 1HD2 ASN 9 5.237 -4.625 -7.373
77 HD22 ASN 9 2HD2 ASN 9 6.012 -6.166 -7.482
78 H LEU 10 H LEU 10 2.109 -5.180 -9.307
79 HA LEU 10 HA LEU 10 2.592 -8.000 -9.970
80 HB2 LEU 10 2HB LEU 10 2.788 -7.570 -7.634
81 HB3 LEU 10 3HB LEU 10 1.267 -6.679 -7.613
82 HG LEU 10 HG LEU 10 0.010 -8.705 -7.911
83 HD11 LEU 10 1HD1 LEU 10 0.898 -10.390 -9.046
84 HD12 LEU 10 2HD1 LEU 10 1.879 -10.766 -7.631
85 HD13 LEU 10 3HD1 LEU 10 2.518 -9.711 -8.890
86 HD21 LEU 10 3HD2 LEU 10 1.976 -8.457 -5.732
87 HD22 LEU 10 1HD2 LEU 10 1.214 -10.039 -5.900
88 HD23 LEU 10 2HD2 LEU 10 0.219 -8.601 -5.670
89 H PHE 11 H PHE 11 0.605 -5.528 -10.835
90 HA PHE 11 HA PHE 11 -1.624 -7.364 -11.421
91 HB2 PHE 11 2HB PHE 11 -1.709 -4.972 -9.965
92 HB3 PHE 11 3HB PHE 11 -2.381 -4.573 -11.542
93 HD1 PHE 11 HD1 PHE 11 -2.749 -6.743 -8.590
94 HD2 PHE 11 HD2 PHE 11 -4.512 -5.367 -12.212
95 HE1 PHE 11 HE1 PHE 11 -4.895 -7.745 -7.923
96 HE2 PHE 11 HE2 PHE 11 -6.660 -6.366 -11.550
97 HZ PHE 11 HZ PHE 11 -6.854 -7.556 -9.403
98 H ARG 12 H ARG 12 0.871 -5.591 -12.715
99 HA ARG 12 HA ARG 12 -0.050 -4.352 -14.974
100 HB2 ARG 12 2HB ARG 12 2.150 -5.167 -16.035
101 HB3 ARG 12 3HB ARG 12 2.249 -4.178 -14.584
102 HG2 ARG 12 2HG ARG 12 2.759 -6.046 -13.230
103 HG3 ARG 12 3HG ARG 12 2.331 -7.180 -14.514
104 HD2 ARG 12 2HD ARG 12 4.211 -6.298 -15.860
105 HD3 ARG 12 3HD ARG 12 4.661 -5.265 -14.504
106 HE ARG 12 HE ARG 12 4.531 -7.910 -13.600
107 HH11 ARG 12 1HH1 ARG 12 6.441 -5.917 -15.722
108 HH12 ARG 12 2HH1 ARG 12 7.891 -6.838 -15.495
109 HH21 ARG 12 1HH2 ARG 12 6.434 -9.131 -13.293
110 HH22 ARG 12 2HH2 ARG 12 7.885 -8.666 -14.115
111 H LYS 13 H LYS 13 0.374 -7.804 -14.430
112 HA LYS 13 HA LYS 13 -0.005 -8.684 -17.068
113 HB2 LYS 13 2HB LYS 13 -0.648 -10.852 -16.020
114 HB3 LYS 13 3HB LYS 13 0.862 -10.192 -15.405
115 HG2 LYS 13 2HG LYS 13 -0.399 -9.299 -13.454
116 HG3 LYS 13 3HG LYS 13 -1.826 -10.149 -14.051
117 HD2 LYS 13 2HD LYS 13 0.709 -11.677 -13.696
118 HD3 LYS 13 3HD LYS 13 -0.230 -11.248 -12.264
119 HE2 LYS 13 2HE LYS 13 -2.128 -12.200 -14.033
120 HE3 LYS 13 3HE LYS 13 -0.743 -13.258 -14.302
121 HZ1 LYS 13 3HZ LYS 13 -2.503 -13.737 -12.427
122 HZ2 LYS 13 1HZ LYS 13 -1.510 -12.695 -11.537
123 HZ3 LYS 13 2HZ LYS 13 -0.866 -14.105 -12.213
124 H LEU 14 H LEU 14 -2.323 -8.125 -14.444
125 HA LEU 14 HA LEU 14 -4.581 -8.917 -16.028
126 HB2 LEU 14 2HB LEU 14 -4.126 -8.662 -13.359
127 HB3 LEU 14 3HB LEU 14 -5.062 -7.206 -13.691
128 HG LEU 14 HG LEU 14 -6.883 -8.574 -14.580
129 HD11 LEU 14 1HD1 LEU 14 -6.511 -10.638 -15.290
130 HD12 LEU 14 2HD1 LEU 14 -6.178 -11.140 -13.633
131 HD13 LEU 14 3HD1 LEU 14 -4.863 -10.579 -14.665
132 HD21 LEU 14 3HD2 LEU 14 -5.854 -8.947 -11.819
133 HD22 LEU 14 1HD2 LEU 14 -7.223 -9.932 -12.333
134 HD23 LEU 14 2HD2 LEU 14 -7.336 -8.173 -12.382
135 H THR 15 H THR 15 -3.259 -5.824 -14.892
136 HA THR 15 HA THR 15 -5.189 -4.108 -15.889
137 HB THR 15 HB THR 15 -3.593 -2.351 -15.768
138 HG1 THR 15 HG1 THR 15 -1.684 -4.425 -16.108
139 HG21 THR 15 3HG2 THR 15 -2.152 -3.669 -13.706
140 HG22 THR 15 1HG2 THR 15 -3.797 -4.305 -13.707
141 HG23 THR 15 2HG2 THR 15 -3.522 -2.569 -13.554
142 H HIS 16 H HIS 16 -2.398 -5.523 -17.540
143 HA HIS 16 HA HIS 16 -2.933 -4.132 -20.002
144 HB2 HIS 16 2HB HIS 16 -0.673 -5.132 -19.027
145 HB3 HIS 16 3HB HIS 16 -1.194 -6.554 -19.927
146 HD1 HIS 16 HD1 HIS 16 0.458 -6.475 -21.818
147 HD2 HIS 16 HD2 HIS 16 -1.532 -2.868 -21.279
148 HE1 HIS 16 HE1 HIS 16 1.100 -5.051 -23.789
149 H ARG 17 H ARG 17 -3.818 -7.158 -18.560
150 HA ARG 17 HA ARG 17 -4.853 -8.186 -21.094
151 HB2 ARG 17 2HB ARG 17 -4.515 -9.411 -18.361
152 HB3 ARG 17 3HB ARG 17 -5.416 -10.208 -19.643
153 HG2 ARG 17 2HG ARG 17 -3.468 -10.346 -21.020
154 HG3 ARG 17 3HG ARG 17 -2.546 -9.345 -19.897
155 HD2 ARG 17 2HD ARG 17 -2.192 -11.052 -18.457
156 HD3 ARG 17 3HD ARG 17 -3.774 -11.770 -18.757
157 HE ARG 17 HE ARG 17 -2.143 -12.081 -21.033
158 HH11 ARG 17 1HH1 ARG 17 -2.508 -13.262 -17.779
159 HH12 ARG 17 2HH1 ARG 17 -1.808 -14.809 -18.123
160 HH21 ARG 17 1HH2 ARG 17 -1.219 -14.114 -21.498
161 HH22 ARG 17 2HH2 ARG 17 -1.074 -15.292 -20.238
162 H LEU 18 H LEU 18 -6.362 -8.908 -18.038
163 HA LEU 18 HA LEU 18 -8.752 -7.407 -18.882
164 HB2 LEU 18 2HB LEU 18 -10.102 -9.220 -17.857
165 HB3 LEU 18 3HB LEU 18 -9.193 -9.714 -19.284
166 HG LEU 18 HG LEU 18 -7.740 -10.236 -16.822
167 HD11 LEU 18 1HD1 LEU 18 -10.090 -10.466 -16.006
168 HD12 LEU 18 2HD1 LEU 18 -9.134 -11.945 -15.918
169 HD13 LEU 18 3HD1 LEU 18 -10.321 -11.738 -17.205
170 HD21 LEU 18 3HD2 LEU 18 -7.371 -12.351 -17.851
171 HD22 LEU 18 1HD2 LEU 18 -7.288 -11.130 -19.121
172 HD23 LEU 18 2HD2 LEU 18 -8.734 -12.125 -18.948
173 H PHE 19 H PHE 19 -7.738 -5.759 -17.463
174 HA PHE 19 HA PHE 19 -7.212 -5.959 -14.789
175 HB2 PHE 19 2HB PHE 19 -7.088 -3.899 -16.318
176 HB3 PHE 19 3HB PHE 19 -8.777 -3.635 -15.896
177 HD1 PHE 19 HD1 PHE 19 -5.751 -4.637 -13.952
178 HD2 PHE 19 HD2 PHE 19 -8.991 -1.913 -14.403
179 HE1 PHE 19 HE1 PHE 19 -5.050 -3.469 -11.903
180 HE2 PHE 19 HE2 PHE 19 -8.294 -0.740 -12.355
181 HZ PHE 19 HZ PHE 19 -6.322 -1.518 -11.102
182 H ARG 20 H ARG 20 -10.358 -4.768 -15.971
183 HA ARG 20 HA ARG 20 -11.593 -5.919 -13.563
184 HB2 ARG 20 2HB ARG 20 -13.375 -4.286 -13.853
185 HB3 ARG 20 3HB ARG 20 -11.814 -3.479 -13.799
186 HG2 ARG 20 2HG ARG 20 -12.613 -2.384 -15.586
187 HG3 ARG 20 3HG ARG 20 -12.079 -3.823 -16.456
188 HD2 ARG 20 2HD ARG 20 -14.168 -4.178 -17.116
189 HD3 ARG 20 3HD ARG 20 -14.652 -4.375 -15.431
190 HE ARG 20 HE ARG 20 -14.497 -1.632 -16.068
191 HH11 ARG 20 1HH1 ARG 20 -16.448 -4.454 -16.666
192 HH12 ARG 20 2HH1 ARG 20 -17.907 -3.553 -16.912
193 HH21 ARG 20 1HH2 ARG 20 -16.412 -0.436 -16.389
194 HH22 ARG 20 2HH2 ARG 20 -17.886 -1.268 -16.755
195 H ARG 21 H ARG 21 -11.644 -5.887 -17.038
196 HA ARG 21 HA ARG 21 -14.163 -7.135 -17.403
197 HB2 ARG 21 2HB ARG 21 -11.829 -6.470 -19.071
198 HB3 ARG 21 3HB ARG 21 -12.735 -7.878 -19.607
199 HG2 ARG 21 2HG ARG 21 -14.743 -6.596 -19.803
200 HG3 ARG 21 3HG ARG 21 -13.977 -5.195 -19.052
201 HD2 ARG 21 2HD ARG 21 -13.745 -4.587 -21.230
202 HD3 ARG 21 3HD ARG 21 -12.272 -5.542 -21.060
203 HE ARG 21 HE ARG 21 -13.129 -7.020 -22.567
204 HH11 ARG 21 1HH1 ARG 21 -15.752 -5.180 -21.205
205 HH12 ARG 21 2HH1 ARG 21 -16.951 -5.872 -22.246
206 HH21 ARG 21 1HH2 ARG 21 -14.699 -7.938 -23.944
207 HH22 ARG 21 2HH2 ARG 21 -16.351 -7.442 -23.804
Start of MODEL 19
1 H1 LYS 1 H LYS 1 1.697 -0.844 0.656
2 HA LYS 1 HA LYS 1 1.628 1.191 -1.467
3 HB2 LYS 1 2HB LYS 1 3.750 -0.793 -0.654
4 HB3 LYS 1 3HB LYS 1 3.820 0.104 -2.165
5 HG2 LYS 1 2HG LYS 1 3.547 2.185 -0.629
6 HG3 LYS 1 3HG LYS 1 4.103 1.088 0.637
7 HD2 LYS 1 2HD LYS 1 6.193 1.471 -0.018
8 HD3 LYS 1 3HD LYS 1 5.816 0.689 -1.555
9 HE2 LYS 1 2HE LYS 1 5.257 2.752 -2.572
10 HE3 LYS 1 3HE LYS 1 5.229 3.591 -1.022
11 HZ1 LYS 1 3HZ LYS 1 7.471 3.766 -0.970
12 HZ2 LYS 1 1HZ LYS 1 7.290 3.704 -2.651
13 HZ3 LYS 1 2HZ LYS 1 7.735 2.314 -1.797
14 H TYR 2 H TYR 2 -0.494 -0.433 -1.579
15 HA TYR 2 HA TYR 2 0.168 -2.327 -3.739
16 HB2 TYR 2 2HB TYR 2 -0.941 -3.005 -1.336
17 HB3 TYR 2 3HB TYR 2 -2.377 -2.760 -2.324
18 HD1 TYR 2 HD1 TYR 2 -1.733 -3.770 -4.910
19 HD2 TYR 2 HD2 TYR 2 -0.514 -5.260 -1.115
20 HE1 TYR 2 HE1 TYR 2 -1.447 -6.009 -5.887
21 HE2 TYR 2 HE2 TYR 2 -0.224 -7.503 -2.083
22 HH TYR 2 HH TYR 2 -0.984 -8.805 -3.970
23 H GLU 3 H GLU 3 -0.404 0.471 -4.050
24 HA GLU 3 HA GLU 3 -2.965 0.309 -5.500
25 HB2 GLU 3 2HB GLU 3 -3.040 2.828 -5.190
26 HB3 GLU 3 3HB GLU 3 -3.317 1.858 -3.750
27 HG2 GLU 3 2HG GLU 3 -0.917 2.192 -3.156
28 HG3 GLU 3 3HG GLU 3 -0.801 3.320 -4.506
29 H ILE 4 H ILE 4 0.200 1.932 -5.439
30 HA ILE 4 HA ILE 4 0.118 1.989 -8.384
31 HB ILE 4 HB ILE 4 1.612 4.027 -8.207
32 HG12 ILE 4 2HG1 ILE 4 0.438 4.569 -5.531
33 HG13 ILE 4 3HG1 ILE 4 1.797 3.453 -5.593
34 HG21 ILE 4 1HG2 ILE 4 -1.286 3.915 -7.572
35 HG22 ILE 4 2HG2 ILE 4 -0.470 5.473 -7.444
36 HG23 ILE 4 3HG2 ILE 4 -0.459 4.595 -8.973
37 HD11 ILE 4 3HD1 ILE 4 3.263 5.088 -5.961
38 HD12 ILE 4 1HD1 ILE 4 2.216 5.896 -7.128
39 HD13 ILE 4 2HD1 ILE 4 1.981 6.161 -5.400
40 H THR 5 H THR 5 1.610 0.730 -5.713
41 HA THR 5 HA THR 5 4.248 0.555 -6.988
42 HB THR 5 HB THR 5 3.317 0.090 -4.166
43 HG1 THR 5 HG1 THR 5 5.022 1.860 -5.525
44 HG21 THR 5 3HG2 THR 5 5.825 -0.906 -5.488
45 HG22 THR 5 1HG2 THR 5 4.701 -1.785 -4.452
46 HG23 THR 5 2HG2 THR 5 5.766 -0.561 -3.760
47 H THR 6 H THR 6 2.367 -1.685 -4.956
48 HA THR 6 HA THR 6 3.421 -3.965 -6.335
49 HB THR 6 HB THR 6 1.106 -3.938 -4.396
50 HG1 THR 6 HG1 THR 6 2.559 -3.925 -2.775
51 HG21 THR 6 3HG2 THR 6 3.144 -6.095 -4.928
52 HG22 THR 6 1HG2 THR 6 1.582 -6.017 -5.742
53 HG23 THR 6 2HG2 THR 6 1.655 -6.221 -3.992
54 H ILE 7 H ILE 7 0.591 -1.992 -6.614
55 HA ILE 7 HA ILE 7 -1.103 -3.828 -7.933
56 HB ILE 7 HB ILE 7 -1.115 -0.979 -7.360
57 HG12 ILE 7 2HG1 ILE 7 -2.601 -2.753 -6.391
58 HG13 ILE 7 3HG1 ILE 7 -3.467 -1.367 -7.045
59 HG21 ILE 7 1HG2 ILE 7 -0.987 -0.691 -9.744
60 HG22 ILE 7 2HG2 ILE 7 -2.247 -1.897 -9.998
61 HG23 ILE 7 3HG2 ILE 7 -2.638 -0.364 -9.219
62 HD11 ILE 7 3HD1 ILE 7 -3.989 -2.629 -9.055
63 HD12 ILE 7 1HD1 ILE 7 -3.096 -4.014 -8.427
64 HD13 ILE 7 2HD1 ILE 7 -4.561 -3.464 -7.612
65 H HIS 8 H HIS 8 1.581 -1.909 -9.000
66 HA HIS 8 HA HIS 8 0.945 -2.251 -11.813
67 HB2 HIS 8 2HB HIS 8 2.624 -0.505 -10.271
68 HB3 HIS 8 3HB HIS 8 3.591 -1.298 -11.512
69 HD1 HIS 8 HD1 HIS 8 3.713 0.074 -13.550
70 HD2 HIS 8 HD2 HIS 8 0.046 0.493 -11.643
71 HE1 HIS 8 HE1 HIS 8 2.401 1.689 -14.963
72 H ASN 9 H ASN 9 2.074 -4.266 -9.546
73 HA ASN 9 HA ASN 9 3.873 -5.647 -11.429
74 HB2 ASN 9 2HB ASN 9 4.002 -6.105 -8.466
75 HB3 ASN 9 3HB ASN 9 5.250 -6.354 -9.684
76 HD21 ASN 9 1HD2 ASN 9 5.235 -4.842 -7.141
77 HD22 ASN 9 2HD2 ASN 9 5.745 -3.246 -7.559
78 H LEU 10 H LEU 10 1.208 -5.897 -9.193
79 HA LEU 10 HA LEU 10 0.930 -8.758 -9.789
80 HB2 LEU 10 2HB LEU 10 0.929 -8.167 -7.431
81 HB3 LEU 10 3HB LEU 10 -0.402 -7.043 -7.697
82 HG LEU 10 HG LEU 10 -1.198 -9.634 -8.591
83 HD11 LEU 10 1HD1 LEU 10 0.051 -10.917 -7.223
84 HD12 LEU 10 2HD1 LEU 10 -1.142 -10.427 -6.022
85 HD13 LEU 10 3HD1 LEU 10 0.405 -9.587 -6.120
86 HD21 LEU 10 3HD2 LEU 10 -2.291 -7.446 -7.354
87 HD22 LEU 10 1HD2 LEU 10 -2.308 -8.660 -6.075
88 HD23 LEU 10 2HD2 LEU 10 -3.102 -8.991 -7.615
89 H PHE 11 H PHE 11 -0.187 -5.791 -10.811
90 HA PHE 11 HA PHE 11 -2.661 -6.997 -11.861
91 HB2 PHE 11 2HB PHE 11 -2.514 -4.817 -10.173
92 HB3 PHE 11 3HB PHE 11 -2.645 -4.074 -11.764
93 HD1 PHE 11 HD1 PHE 11 -4.634 -4.366 -13.116
94 HD2 PHE 11 HD2 PHE 11 -4.322 -6.113 -9.247
95 HE1 PHE 11 HE1 PHE 11 -7.063 -4.760 -13.102
96 HE2 PHE 11 HE2 PHE 11 -6.750 -6.510 -9.227
97 HZ PHE 11 HZ PHE 11 -8.124 -5.834 -11.156
98 H ARG 12 H ARG 12 0.349 -5.871 -12.629
99 HA ARG 12 HA ARG 12 0.101 -4.301 -14.875
100 HB2 ARG 12 2HB ARG 12 2.217 -5.535 -15.662
101 HB3 ARG 12 3HB ARG 12 2.286 -4.677 -14.129
102 HG2 ARG 12 2HG ARG 12 2.759 -6.535 -13.011
103 HG3 ARG 12 3HG ARG 12 1.435 -7.417 -13.776
104 HD2 ARG 12 2HD ARG 12 3.728 -8.349 -14.197
105 HD3 ARG 12 3HD ARG 12 2.785 -7.992 -15.643
106 HE ARG 12 HE ARG 12 4.338 -6.414 -16.223
107 HH11 ARG 12 1HH1 ARG 12 4.766 -7.260 -12.873
108 HH12 ARG 12 2HH1 ARG 12 6.240 -6.366 -12.701
109 HH21 ARG 12 1HH2 ARG 12 6.277 -5.233 -16.009
110 HH22 ARG 12 2HH2 ARG 12 7.098 -5.212 -14.485
111 H LYS 13 H LYS 13 -0.293 -7.791 -14.584
112 HA LYS 13 HA LYS 13 -0.409 -8.448 -17.296
113 HB2 LYS 13 2HB LYS 13 -1.729 -10.427 -16.546
114 HB3 LYS 13 3HB LYS 13 -0.244 -10.181 -15.638
115 HG2 LYS 13 2HG LYS 13 -1.686 -8.978 -13.920
116 HG3 LYS 13 3HG LYS 13 -3.069 -9.672 -14.769
117 HD2 LYS 13 2HD LYS 13 -2.635 -11.212 -13.073
118 HD3 LYS 13 3HD LYS 13 -1.848 -11.919 -14.486
119 HE2 LYS 13 2HE LYS 13 0.300 -11.105 -13.751
120 HE3 LYS 13 3HE LYS 13 -0.448 -10.240 -12.409
121 HZ1 LYS 13 3HZ LYS 13 -1.309 -12.738 -11.987
122 HZ2 LYS 13 1HZ LYS 13 0.077 -12.082 -11.274
123 HZ3 LYS 13 2HZ LYS 13 0.213 -13.044 -12.658
124 H LEU 14 H LEU 14 -2.982 -7.441 -15.074
125 HA LEU 14 HA LEU 14 -5.028 -7.602 -17.076
126 HB2 LEU 14 2HB LEU 14 -5.002 -6.288 -14.364
127 HB3 LEU 14 3HB LEU 14 -6.430 -6.470 -15.380
128 HG LEU 14 HG LEU 14 -4.926 -8.923 -14.622
129 HD11 LEU 14 1HD1 LEU 14 -5.202 -7.444 -12.565
130 HD12 LEU 14 2HD1 LEU 14 -5.857 -9.079 -12.479
131 HD13 LEU 14 3HD1 LEU 14 -6.935 -7.711 -12.751
132 HD21 LEU 14 3HD2 LEU 14 -6.729 -9.350 -16.031
133 HD22 LEU 14 1HD2 LEU 14 -7.757 -8.156 -15.239
134 HD23 LEU 14 2HD2 LEU 14 -7.380 -9.674 -14.424
135 H THR 15 H THR 15 -3.251 -4.959 -15.508
136 HA THR 15 HA THR 15 -4.475 -2.767 -16.602
137 HB THR 15 HB THR 15 -2.427 -1.540 -16.317
138 HG1 THR 15 HG1 THR 15 -0.492 -2.460 -16.448
139 HG21 THR 15 3HG2 THR 15 -1.689 -3.018 -14.076
140 HG22 THR 15 1HG2 THR 15 -3.392 -3.403 -14.321
141 HG23 THR 15 2HG2 THR 15 -2.885 -1.724 -14.138
142 H HIS 16 H HIS 16 -2.185 -4.950 -18.140
143 HA HIS 16 HA HIS 16 -2.191 -3.350 -20.581
144 HB2 HIS 16 2HB HIS 16 -0.140 -4.585 -19.497
145 HB3 HIS 16 3HB HIS 16 -0.792 -5.987 -20.341
146 HD1 HIS 16 HD1 HIS 16 1.600 -5.754 -21.620
147 HD2 HIS 16 HD2 HIS 16 -1.265 -2.860 -22.442
148 HE1 HIS 16 HE1 HIS 16 2.337 -4.669 -23.765
149 H ARG 17 H ARG 17 -3.600 -6.217 -19.248
150 HA ARG 17 HA ARG 17 -4.596 -7.051 -21.875
151 HB2 ARG 17 2HB ARG 17 -3.589 -8.799 -20.494
152 HB3 ARG 17 3HB ARG 17 -4.715 -8.440 -19.193
153 HG2 ARG 17 2HG ARG 17 -5.298 -10.455 -20.515
154 HG3 ARG 17 3HG ARG 17 -6.565 -9.226 -20.484
155 HD2 ARG 17 2HD ARG 17 -6.496 -8.978 -22.699
156 HD3 ARG 17 3HD ARG 17 -4.739 -8.835 -22.697
157 HE ARG 17 HE ARG 17 -4.591 -11.046 -23.279
158 HH11 ARG 17 1HH1 ARG 17 -7.819 -10.365 -22.166
159 HH12 ARG 17 2HH1 ARG 17 -8.447 -11.909 -22.636
160 HH21 ARG 17 1HH2 ARG 17 -5.407 -13.083 -23.902
161 HH22 ARG 17 2HH2 ARG 17 -7.074 -13.455 -23.623
162 H LEU 18 H LEU 18 -6.246 -7.575 -18.823
163 HA LEU 18 HA LEU 18 -8.463 -5.886 -19.780
164 HB2 LEU 18 2HB LEU 18 -10.008 -7.496 -18.728
165 HB3 LEU 18 3HB LEU 18 -9.092 -8.180 -20.069
166 HG LEU 18 HG LEU 18 -7.661 -8.742 -17.688
167 HD11 LEU 18 1HD1 LEU 18 -10.029 -8.284 -16.734
168 HD12 LEU 18 2HD1 LEU 18 -9.160 -9.737 -16.241
169 HD13 LEU 18 3HD1 LEU 18 -10.431 -9.841 -17.459
170 HD21 LEU 18 3HD2 LEU 18 -9.225 -10.919 -18.836
171 HD22 LEU 18 1HD2 LEU 18 -7.477 -10.724 -18.701
172 HD23 LEU 18 2HD2 LEU 18 -8.346 -9.978 -20.042
173 H PHE 19 H PHE 19 -7.369 -4.253 -18.437
174 HA PHE 19 HA PHE 19 -6.985 -4.457 -15.689
175 HB2 PHE 19 2HB PHE 19 -6.283 -2.569 -17.272
176 HB3 PHE 19 3HB PHE 19 -7.907 -1.928 -17.045
177 HD1 PHE 19 HD1 PHE 19 -5.484 -3.475 -14.671
178 HD2 PHE 19 HD2 PHE 19 -7.767 -0.044 -15.736
179 HE1 PHE 19 HE1 PHE 19 -4.745 -2.349 -12.613
180 HE2 PHE 19 HE2 PHE 19 -7.031 1.088 -13.679
181 HZ PHE 19 HZ PHE 19 -5.517 -0.064 -12.115
182 H ARG 20 H ARG 20 -9.894 -4.250 -17.500
183 HA ARG 20 HA ARG 20 -11.678 -3.025 -15.808
184 HB2 ARG 20 2HB ARG 20 -13.406 -4.514 -16.783
185 HB3 ARG 20 3HB ARG 20 -12.347 -3.805 -17.995
186 HG2 ARG 20 2HG ARG 20 -11.017 -5.990 -17.830
187 HG3 ARG 20 3HG ARG 20 -12.443 -6.629 -17.008
188 HD2 ARG 20 2HD ARG 20 -13.624 -5.499 -19.131
189 HD3 ARG 20 3HD ARG 20 -12.054 -5.873 -19.841
190 HE ARG 20 HE ARG 20 -13.001 -8.137 -18.482
191 HH11 ARG 20 1HH1 ARG 20 -13.703 -6.220 -21.302
192 HH12 ARG 20 2HH1 ARG 20 -14.392 -7.541 -22.188
193 HH21 ARG 20 1HH2 ARG 20 -13.905 -9.883 -19.638
194 HH22 ARG 20 2HH2 ARG 20 -14.507 -9.623 -21.240
195 H ARG 21 H ARG 21 -10.328 -6.266 -15.581
196 HA ARG 21 HA ARG 21 -11.998 -6.982 -13.334
197 HB2 ARG 21 2HB ARG 21 -11.344 -8.721 -14.893
198 HB3 ARG 21 3HB ARG 21 -9.642 -8.376 -14.614
199 HG2 ARG 21 2HG ARG 21 -11.178 -9.035 -12.203
200 HG3 ARG 21 3HG ARG 21 -11.035 -10.339 -13.383
201 HD2 ARG 21 2HD ARG 21 -8.850 -10.629 -12.969
202 HD3 ARG 21 3HD ARG 21 -8.539 -8.895 -12.905
203 HE ARG 21 HE ARG 21 -8.659 -9.016 -10.632
204 HH11 ARG 21 1HH1 ARG 21 -10.266 -11.795 -11.980
205 HH12 ARG 21 2HH1 ARG 21 -10.540 -12.545 -10.442
206 HH21 ARG 21 1HH2 ARG 21 -9.015 -9.993 -8.602
207 HH22 ARG 21 2HH2 ARG 21 -9.830 -11.519 -8.521
Start of MODEL 20
1 H1 LYS 1 H LYS 1 3.021 -2.110 0.506
2 HA LYS 1 HA LYS 1 1.834 0.008 0.017
3 HB2 LYS 1 2HB LYS 1 4.157 0.338 -1.891
4 HB3 LYS 1 3HB LYS 1 2.762 1.405 -1.790
5 HG2 LYS 1 2HG LYS 1 3.991 2.622 -0.394
6 HG3 LYS 1 3HG LYS 1 3.679 1.358 0.797
7 HD2 LYS 1 2HD LYS 1 5.902 1.143 0.918
8 HD3 LYS 1 3HD LYS 1 5.787 0.338 -0.649
9 HE2 LYS 1 2HE LYS 1 6.572 2.148 -1.789
10 HE3 LYS 1 3HE LYS 1 5.895 3.302 -0.641
11 HZ1 LYS 1 3HZ LYS 1 7.705 3.157 0.715
12 HZ2 LYS 1 1HZ LYS 1 8.458 2.873 -0.773
13 HZ3 LYS 1 2HZ LYS 1 8.091 1.577 0.249
14 H TYR 2 H TYR 2 0.080 -0.665 -1.009
15 HA TYR 2 HA TYR 2 0.412 -2.214 -3.495
16 HB2 TYR 2 2HB TYR 2 -0.648 -3.195 -1.188
17 HB3 TYR 2 3HB TYR 2 -2.095 -2.595 -1.990
18 HD1 TYR 2 HD1 TYR 2 -1.908 -3.192 -4.713
19 HD2 TYR 2 HD2 TYR 2 -0.357 -5.458 -1.462
20 HE1 TYR 2 HE1 TYR 2 -1.986 -5.222 -6.099
21 HE2 TYR 2 HE2 TYR 2 -0.430 -7.494 -2.840
22 HH TYR 2 HH TYR 2 -1.578 -8.353 -4.797
23 H GLU 3 H GLU 3 0.221 0.601 -3.415
24 HA GLU 3 HA GLU 3 -2.445 1.014 -4.603
25 HB2 GLU 3 2HB GLU 3 -0.728 3.008 -3.114
26 HB3 GLU 3 3HB GLU 3 -2.230 3.398 -3.941
27 HG2 GLU 3 2HG GLU 3 -2.332 1.230 -1.936
28 HG3 GLU 3 3HG GLU 3 -2.101 2.871 -1.336
29 H ILE 4 H ILE 4 0.882 2.293 -4.633
30 HA ILE 4 HA ILE 4 0.642 2.575 -7.554
31 HB ILE 4 HB ILE 4 2.250 4.476 -5.864
32 HG12 ILE 4 2HG1 ILE 4 -0.069 4.701 -5.158
33 HG13 ILE 4 3HG1 ILE 4 0.392 6.091 -6.134
34 HG21 ILE 4 1HG2 ILE 4 2.140 3.991 -8.599
35 HG22 ILE 4 2HG2 ILE 4 1.190 5.458 -8.365
36 HG23 ILE 4 3HG2 ILE 4 2.859 5.389 -7.799
37 HD11 ILE 4 3HD1 ILE 4 -0.672 4.177 -7.899
38 HD12 ILE 4 1HD1 ILE 4 -1.755 4.261 -6.510
39 HD13 ILE 4 2HD1 ILE 4 -1.366 5.724 -7.416
40 H THR 5 H THR 5 2.026 0.801 -5.309
41 HA THR 5 HA THR 5 4.707 0.802 -6.517
42 HB THR 5 HB THR 5 3.712 -0.179 -3.851
43 HG1 THR 5 HG1 THR 5 4.552 2.056 -4.332
44 HG21 THR 5 3HG2 THR 5 6.378 -0.773 -5.139
45 HG22 THR 5 1HG2 THR 5 5.123 -1.948 -4.751
46 HG23 THR 5 2HG2 THR 5 5.963 -1.096 -3.456
47 H THR 6 H THR 6 2.556 -1.637 -5.049
48 HA THR 6 HA THR 6 3.511 -3.600 -6.985
49 HB THR 6 HB THR 6 2.526 -5.284 -5.612
50 HG1 THR 6 HG1 THR 6 1.386 -4.307 -3.602
51 HG21 THR 6 3HG2 THR 6 3.510 -4.786 -3.377
52 HG22 THR 6 1HG2 THR 6 3.775 -3.126 -3.910
53 HG23 THR 6 2HG2 THR 6 4.604 -4.456 -4.720
54 H ILE 7 H ILE 7 0.931 -1.465 -6.601
55 HA ILE 7 HA ILE 7 -1.214 -2.955 -7.658
56 HB ILE 7 HB ILE 7 -0.724 -0.214 -6.945
57 HG12 ILE 7 2HG1 ILE 7 -2.421 -1.760 -5.981
58 HG13 ILE 7 3HG1 ILE 7 -3.105 -0.225 -6.504
59 HG21 ILE 7 1HG2 ILE 7 -0.716 0.253 -9.320
60 HG22 ILE 7 2HG2 ILE 7 -2.224 -0.637 -9.525
61 HG23 ILE 7 3HG2 ILE 7 -2.204 0.861 -8.595
62 HD11 ILE 7 3HD1 ILE 7 -4.267 -2.517 -7.050
63 HD12 ILE 7 1HD1 ILE 7 -4.294 -1.175 -8.193
64 HD13 ILE 7 2HD1 ILE 7 -3.145 -2.496 -8.410
65 H HIS 8 H HIS 8 1.470 -1.305 -9.152
66 HA HIS 8 HA HIS 8 0.390 -1.995 -11.804
67 HB2 HIS 8 2HB HIS 8 1.547 0.434 -10.803
68 HB3 HIS 8 3HB HIS 8 2.558 -0.202 -12.097
69 HD1 HIS 8 HD1 HIS 8 1.960 1.059 -14.136
70 HD2 HIS 8 HD2 HIS 8 -1.399 0.006 -11.930
71 HE1 HIS 8 HE1 HIS 8 -0.008 1.825 -15.501
72 H ASN 9 H ASN 9 2.475 -3.074 -9.550
73 HA ASN 9 HA ASN 9 4.480 -3.973 -11.505
74 HB2 ASN 9 2HB ASN 9 5.817 -3.124 -9.872
75 HB3 ASN 9 3HB ASN 9 4.587 -3.308 -8.625
76 HD21 ASN 9 1HD2 ASN 9 5.432 -4.486 -7.066
77 HD22 ASN 9 2HD2 ASN 9 6.293 -5.969 -7.268
78 H LEU 10 H LEU 10 2.206 -5.051 -9.052
79 HA LEU 10 HA LEU 10 2.779 -7.846 -9.752
80 HB2 LEU 10 2HB LEU 10 2.918 -7.445 -7.404
81 HB3 LEU 10 3HB LEU 10 1.369 -6.604 -7.400
82 HG LEU 10 HG LEU 10 0.184 -8.662 -7.749
83 HD11 LEU 10 1HD1 LEU 10 2.742 -9.575 -8.700
84 HD12 LEU 10 2HD1 LEU 10 1.143 -10.284 -8.919
85 HD13 LEU 10 3HD1 LEU 10 2.093 -10.679 -7.487
86 HD21 LEU 10 3HD2 LEU 10 2.020 -9.699 -5.727
87 HD22 LEU 10 1HD2 LEU 10 0.312 -9.276 -5.602
88 HD23 LEU 10 2HD2 LEU 10 1.544 -8.021 -5.463
89 H PHE 11 H PHE 11 0.751 -5.419 -10.629
90 HA PHE 11 HA PHE 11 -1.423 -7.300 -11.275
91 HB2 PHE 11 2HB PHE 11 -1.595 -4.928 -9.799
92 HB3 PHE 11 3HB PHE 11 -2.237 -4.523 -11.387
93 HD1 PHE 11 HD2 PHE 11 -2.582 -6.892 -8.563
94 HD2 PHE 11 HD1 PHE 11 -4.384 -5.194 -12.025
95 HE1 PHE 11 HE2 PHE 11 -4.722 -7.945 -7.961
96 HE2 PHE 11 HE1 PHE 11 -6.528 -6.244 -11.428
97 HZ PHE 11 HZ PHE 11 -6.698 -7.622 -9.394
98 H ARG 12 H ARG 12 1.083 -5.564 -12.526
99 HA ARG 12 HA ARG 12 0.182 -4.287 -14.787
100 HB2 ARG 12 2HB ARG 12 2.408 -5.052 -15.812
101 HB3 ARG 12 3HB ARG 12 2.474 -4.099 -14.336
102 HG2 ARG 12 2HG ARG 12 3.289 -5.810 -13.102
103 HG3 ARG 12 3HG ARG 12 2.408 -7.035 -14.016
104 HD2 ARG 12 2HD ARG 12 4.650 -5.527 -15.296
105 HD3 ARG 12 3HD ARG 12 4.998 -6.879 -14.219
106 HE ARG 12 HE ARG 12 3.921 -7.015 -16.879
107 HH11 ARG 12 1HH1 ARG 12 4.176 -8.634 -13.808
108 HH12 ARG 12 2HH1 ARG 12 3.908 -10.212 -14.470
109 HH21 ARG 12 1HH2 ARG 12 3.567 -9.088 -17.763
110 HH22 ARG 12 2HH2 ARG 12 3.563 -10.469 -16.721
111 H LYS 13 H LYS 13 0.523 -7.726 -14.207
112 HA LYS 13 HA LYS 13 0.248 -8.612 -16.868
113 HB2 LYS 13 2HB LYS 13 -0.382 -10.781 -15.861
114 HB3 LYS 13 3HB LYS 13 1.064 -10.095 -15.133
115 HG2 LYS 13 2HG LYS 13 -0.344 -9.253 -13.268
116 HG3 LYS 13 3HG LYS 13 -1.714 -10.111 -13.976
117 HD2 LYS 13 2HD LYS 13 0.548 -11.869 -13.760
118 HD3 LYS 13 3HD LYS 13 0.212 -11.120 -12.198
119 HE2 LYS 13 2HE LYS 13 -1.213 -12.885 -12.050
120 HE3 LYS 13 3HE LYS 13 -2.280 -11.750 -12.874
121 HZ1 LYS 13 3HZ LYS 13 -2.179 -14.041 -13.844
122 HZ2 LYS 13 1HZ LYS 13 -0.590 -13.708 -14.319
123 HZ3 LYS 13 2HZ LYS 13 -1.868 -12.788 -14.937
124 H LEU 14 H LEU 14 -2.108 -7.825 -14.371
125 HA LEU 14 HA LEU 14 -4.335 -8.658 -16.029
126 HB2 LEU 14 2HB LEU 14 -3.975 -8.522 -13.340
127 HB3 LEU 14 3HB LEU 14 -4.873 -7.035 -13.639
128 HG LEU 14 HG LEU 14 -6.372 -8.850 -15.006
129 HD11 LEU 14 1HD1 LEU 14 -5.827 -10.310 -12.476
130 HD12 LEU 14 2HD1 LEU 14 -4.734 -10.554 -13.837
131 HD13 LEU 14 3HD1 LEU 14 -6.453 -10.903 -14.015
132 HD21 LEU 14 3HD2 LEU 14 -6.912 -7.069 -13.205
133 HD22 LEU 14 1HD2 LEU 14 -6.822 -8.424 -12.079
134 HD23 LEU 14 2HD2 LEU 14 -7.992 -8.451 -13.398
135 H THR 15 H THR 15 -3.096 -5.615 -14.667
136 HA THR 15 HA THR 15 -4.945 -3.841 -15.659
137 HB THR 15 HB THR 15 -3.310 -2.114 -15.473
138 HG1 THR 15 HG1 THR 15 -1.536 -2.758 -16.546
139 HG21 THR 15 3HG2 THR 15 -1.960 -3.478 -13.396
140 HG22 THR 15 1HG2 THR 15 -3.597 -4.129 -13.466
141 HG23 THR 15 2HG2 THR 15 -3.344 -2.395 -13.264
142 H HIS 16 H HIS 16 -2.192 -5.283 -17.336
143 HA HIS 16 HA HIS 16 -2.687 -3.781 -19.753
144 HB2 HIS 16 2HB HIS 16 -0.437 -4.853 -18.759
145 HB3 HIS 16 3HB HIS 16 -0.936 -6.181 -19.803
146 HD1 HIS 16 HD1 HIS 16 0.678 -2.896 -19.854
147 HD2 HIS 16 HD2 HIS 16 -1.148 -5.429 -22.595
148 HE1 HIS 16 HE1 HIS 16 1.394 -2.066 -22.117
149 H ARG 17 H ARG 17 -3.457 -6.925 -18.454
150 HA ARG 17 HA ARG 17 -4.503 -7.845 -21.019
151 HB2 ARG 17 2HB ARG 17 -3.213 -9.434 -19.685
152 HB3 ARG 17 3HB ARG 17 -4.324 -9.230 -18.338
153 HG2 ARG 17 2HG ARG 17 -4.682 -11.309 -19.634
154 HG3 ARG 17 3HG ARG 17 -6.101 -10.262 -19.561
155 HD2 ARG 17 2HD ARG 17 -6.146 -10.029 -21.777
156 HD3 ARG 17 3HD ARG 17 -4.427 -9.641 -21.838
157 HE ARG 17 HE ARG 17 -3.998 -11.805 -22.441
158 HH11 ARG 17 1HH1 ARG 17 -7.221 -11.604 -21.139
159 HH12 ARG 17 2HH1 ARG 17 -7.635 -13.231 -21.565
160 HH21 ARG 17 1HH2 ARG 17 -4.532 -13.949 -23.007
161 HH22 ARG 17 2HH2 ARG 17 -6.105 -14.565 -22.627
162 H LEU 18 H LEU 18 -5.967 -8.647 -17.943
163 HA LEU 18 HA LEU 18 -8.410 -7.222 -18.768
164 HB2 LEU 18 2HB LEU 18 -9.702 -9.069 -17.749
165 HB3 LEU 18 3HB LEU 18 -8.767 -9.552 -19.163
166 HG LEU 18 HG LEU 18 -7.146 -10.077 -16.922
167 HD11 LEU 18 1HD1 LEU 18 -9.622 -9.936 -15.904
168 HD12 LEU 18 2HD1 LEU 18 -8.396 -11.060 -15.319
169 HD13 LEU 18 3HD1 LEU 18 -9.625 -11.610 -16.458
170 HD21 LEU 18 3HD2 LEU 18 -8.651 -12.304 -18.118
171 HD22 LEU 18 1HD2 LEU 18 -6.912 -12.063 -17.954
172 HD23 LEU 18 2HD2 LEU 18 -7.792 -11.268 -19.259
173 H PHE 19 H PHE 19 -7.399 -5.553 -17.354
174 HA PHE 19 HA PHE 19 -6.854 -5.734 -14.688
175 HB2 PHE 19 2HB PHE 19 -6.794 -3.671 -16.207
176 HB3 PHE 19 3HB PHE 19 -8.491 -3.457 -15.790
177 HD1 PHE 19 HD1 PHE 19 -5.615 -4.528 -13.687
178 HD2 PHE 19 HD2 PHE 19 -8.587 -1.578 -14.450
179 HE1 PHE 19 HE1 PHE 19 -4.955 -3.337 -11.637
180 HE2 PHE 19 HE2 PHE 19 -7.932 -0.383 -12.402
181 HZ PHE 19 HZ PHE 19 -6.113 -1.261 -10.993
182 H ARG 20 H ARG 20 -10.049 -5.462 -16.183
183 HA ARG 20 HA ARG 20 -11.238 -6.154 -13.576
184 HB2 ARG 20 2HB ARG 20 -13.287 -4.973 -14.365
185 HB3 ARG 20 3HB ARG 20 -11.899 -3.915 -14.153
186 HG2 ARG 20 2HG ARG 20 -11.508 -4.244 -16.664
187 HG3 ARG 20 3HG ARG 20 -13.158 -4.869 -16.695
188 HD2 ARG 20 2HD ARG 20 -13.273 -2.501 -15.208
189 HD3 ARG 20 3HD ARG 20 -12.230 -2.145 -16.584
190 HE ARG 20 HE ARG 20 -14.459 -3.471 -17.572
191 HH11 ARG 20 1HH1 ARG 20 -13.733 -0.487 -15.932
192 HH12 ARG 20 2HH1 ARG 20 -15.059 0.376 -16.638
193 HH21 ARG 20 1HH2 ARG 20 -16.209 -2.346 -18.508
194 HH22 ARG 20 2HH2 ARG 20 -16.467 -0.683 -18.102
195 H ARG 21 H ARG 21 -11.264 -6.658 -17.048
196 HA ARG 21 HA ARG 21 -13.477 -8.340 -17.267
197 HB2 ARG 21 2HB ARG 21 -11.235 -7.576 -18.903
198 HB3 ARG 21 3HB ARG 21 -11.533 -9.301 -19.068
199 HG2 ARG 21 2HG ARG 21 -13.625 -8.991 -19.980
200 HG3 ARG 21 3HG ARG 21 -13.810 -7.385 -19.271
201 HD2 ARG 21 2HD ARG 21 -12.320 -6.422 -20.840
202 HD3 ARG 21 3HD ARG 21 -11.770 -8.003 -21.392
203 HE ARG 21 HE ARG 21 -14.115 -6.590 -22.250
204 HH11 ARG 21 1HH1 ARG 21 -12.652 -9.728 -21.881
205 HH12 ARG 21 2HH1 ARG 21 -13.616 -10.466 -23.117
206 HH21 ARG 21 1HH2 ARG 21 -15.390 -7.551 -23.879
207 HH22 ARG 21 2HH2 ARG 21 -15.172 -9.227 -24.254