NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
615250 |
5j6w   |
30060 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 13.424 0.789 13.896
2 H2 LYS 1 HT2 LYS 1 14.320 -0.442 14.650
3 H3 LYS 1 HT3 LYS 1 14.593 1.184 15.059
4 HA LYS 1 HA LYS 1 13.285 0.054 16.779
5 HB2 LYS 1 HB2 LYS 1 12.811 2.474 15.333
6 HB3 LYS 1 HB1 LYS 1 11.242 1.827 15.812
7 HG2 LYS 1 HG2 LYS 1 11.634 2.163 18.032
8 HG3 LYS 1 HG1 LYS 1 13.334 1.713 17.902
9 HD2 LYS 1 HD2 LYS 1 13.985 3.861 17.216
10 HD3 LYS 1 HD1 LYS 1 12.355 4.291 16.697
11 HE2 LYS 1 HE2 LYS 1 12.513 3.607 19.558
12 HE3 LYS 1 HE1 LYS 1 13.462 5.039 19.111
13 HZ1 LYS 1 HZ1 LYS 1 11.067 5.503 19.569
14 HZ2 LYS 1 HZ2 LYS 1 10.674 4.568 18.206
15 HZ3 LYS 1 HZ3 LYS 1 11.589 5.989 18.031
16 H ILE 2 HN ILE 2 11.136 0.661 13.974
17 HA ILE 2 HA ILE 2 9.925 -2.044 14.428
18 HB ILE 2 HB ILE 2 7.722 -0.928 14.027
19 HG12 ILE 2 HG12 ILE 2 9.006 1.735 14.480
20 HG13 ILE 2 HG11 ILE 2 9.079 1.058 12.853
21 HG21 ILE 2 HG21 ILE 2 8.980 -1.161 16.334
22 HG22 ILE 2 HG22 ILE 2 7.500 -0.209 16.231
23 HG23 ILE 2 HG23 ILE 2 9.068 0.597 16.234
24 HD11 ILE 2 HD11 ILE 2 6.462 1.043 14.319
25 HD12 ILE 2 HD12 ILE 2 6.768 1.101 12.583
26 HD13 ILE 2 HD13 ILE 2 7.018 2.541 13.571
27 H PHE 3 HN PHE 3 11.899 -1.252 12.422
28 HA PHE 3 HA PHE 3 10.235 -1.542 9.940
29 HB2 PHE 3 HB2 PHE 3 12.868 -0.083 10.353
30 HB3 PHE 3 HB1 PHE 3 11.980 -0.185 8.833
31 HD1 PHE 3 HD1 PHE 3 12.222 1.451 12.073
32 HD2 PHE 3 HD2 PHE 3 9.708 0.862 8.640
33 HE1 PHE 3 HE1 PHE 3 10.852 3.408 12.740
34 HE2 PHE 3 HE2 PHE 3 8.338 2.819 9.307
35 HZ PHE 3 HZ PHE 3 8.910 4.092 11.357
36 H GLY 4 HN GLY 4 10.537 -3.618 9.226
37 HA2 GLY 4 HA2 GLY 4 12.826 -5.224 9.955
38 HA3 GLY 4 HA1 GLY 4 11.599 -5.665 8.767
39 H ALA 5 HN ALA 5 12.022 -5.315 6.586
40 HA ALA 5 HA ALA 5 14.817 -4.538 5.922
41 HB1 ALA 5 HB1 ALA 5 14.047 -6.664 5.087
42 HB2 ALA 5 HB2 ALA 5 14.115 -5.570 3.706
43 HB3 ALA 5 HB3 ALA 5 12.565 -5.943 4.460
44 H ILE 6 HN ILE 6 13.653 -2.241 6.566
45 HA ILE 6 HA ILE 6 12.371 -1.051 4.155
46 HB ILE 6 HB ILE 6 12.774 -0.217 7.039
47 HG12 ILE 6 HG12 ILE 6 10.183 -0.147 6.791
48 HG13 ILE 6 HG11 ILE 6 10.451 -1.095 5.328
49 HG21 ILE 6 HG21 ILE 6 11.345 1.771 6.429
50 HG22 ILE 6 HG22 ILE 6 11.593 1.356 4.732
51 HG23 ILE 6 HG23 ILE 6 12.967 1.814 5.738
52 HD11 ILE 6 HD11 ILE 6 11.972 -2.093 7.628
53 HD12 ILE 6 HD12 ILE 6 10.933 -2.968 6.503
54 HD13 ILE 6 HD13 ILE 6 10.227 -2.131 7.885
55 H TRP 7 HN TRP 7 15.141 -0.529 6.349
56 HA TRP 7 HA TRP 7 16.241 1.686 4.856
57 HB2 TRP 7 HB2 TRP 7 17.639 -0.237 6.738
58 HB3 TRP 7 HB1 TRP 7 18.101 1.424 6.383
59 HD1 TRP 7 HD1 TRP 7 15.990 -0.620 8.656
60 HE1 TRP 7 HE1 TRP 7 14.580 0.907 10.180
61 HE3 TRP 7 HE3 TRP 7 16.733 3.870 6.337
62 HZ2 TRP 7 HZ2 TRP 7 13.859 3.665 10.387
63 HZ3 TRP 7 HZ3 TRP 7 15.672 5.928 7.218
64 HH2 TRP 7 HH2 TRP 7 14.237 5.832 9.238
65 HA PRO 8 HA PRO 8 19.231 -1.631 3.071
66 HB2 PRO 8 HB2 PRO 8 18.333 -4.236 3.100
67 HB3 PRO 8 HB1 PRO 8 19.404 -3.547 4.334
68 HG2 PRO 8 HG2 PRO 8 16.484 -4.052 4.432
69 HG3 PRO 8 HG1 PRO 8 17.697 -4.168 5.715
70 HD2 PRO 8 HD2 PRO 8 15.945 -2.095 5.461
71 HD3 PRO 8 HD1 PRO 8 17.532 -1.958 6.245
72 H LEU 9 HN LEU 9 15.742 -2.219 2.856
73 HA LEU 9 HA LEU 9 15.781 -3.088 0.078
74 HB2 LEU 9 HB2 LEU 9 14.043 -3.660 1.765
75 HB3 LEU 9 HB1 LEU 9 13.561 -1.964 1.817
76 HG LEU 9 HG LEU 9 13.685 -3.216 -0.877
77 HD11 LEU 9 HD11 LEU 9 11.360 -4.146 -0.524
78 HD12 LEU 9 HD12 LEU 9 11.602 -3.921 1.208
79 HD13 LEU 9 HD13 LEU 9 12.635 -5.034 0.311
80 HD21 LEU 9 HD21 LEU 9 12.132 -1.139 0.611
81 HD22 LEU 9 HD22 LEU 9 11.344 -1.928 -0.755
82 HD23 LEU 9 HD23 LEU 9 12.860 -1.059 -0.994
83 H ALA 10 HN ALA 10 15.744 0.008 1.695
84 HA ALA 10 HA ALA 10 14.542 1.644 -0.303
85 HB1 ALA 10 HB1 ALA 10 15.806 3.434 0.846
86 HB2 ALA 10 HB2 ALA 10 16.820 2.217 1.622
87 HB3 ALA 10 HB3 ALA 10 15.104 2.316 2.015
88 H LEU 11 HN LEU 11 18.064 1.327 0.304
89 HA LEU 11 HA LEU 11 18.877 2.480 -2.177
90 HB2 LEU 11 HB2 LEU 11 21.060 1.459 -1.565
91 HB3 LEU 11 HB1 LEU 11 20.294 2.234 -0.178
92 HG LEU 11 HG LEU 11 19.251 -0.286 -0.002
93 HD11 LEU 11 HD11 LEU 11 20.948 -1.913 -0.473
94 HD12 LEU 11 HD12 LEU 11 22.138 -0.662 -0.831
95 HD13 LEU 11 HD13 LEU 11 20.786 -0.932 -1.930
96 HD21 LEU 11 HD21 LEU 11 20.575 1.271 1.648
97 HD22 LEU 11 HD22 LEU 11 21.959 0.282 1.180
98 HD23 LEU 11 HD23 LEU 11 20.553 -0.469 1.936
99 H GLY 12 HN GLY 12 17.824 -0.761 -1.364
100 HA2 GLY 12 HA2 GLY 12 19.001 -2.205 -3.517
101 HA3 GLY 12 HA1 GLY 12 17.503 -2.660 -2.703
102 H ALA 13 HN ALA 13 15.955 -0.372 -3.324
103 HA ALA 13 HA ALA 13 15.209 -1.000 -6.087
104 HB1 ALA 13 HB1 ALA 13 13.899 -0.256 -3.818
105 HB2 ALA 13 HB2 ALA 13 13.219 -0.070 -5.434
106 HB3 ALA 13 HB3 ALA 13 14.006 1.297 -4.646
107 H LEU 14 HN LEU 14 17.142 1.409 -4.489
108 HA LEU 14 HA LEU 14 16.885 3.585 -6.330
109 HB2 LEU 14 HB2 LEU 14 18.115 3.139 -3.967
110 HB3 LEU 14 HB1 LEU 14 19.506 2.997 -5.042
111 HG LEU 14 HG LEU 14 18.367 5.217 -6.080
112 HD11 LEU 14 HD11 LEU 14 17.974 5.717 -3.155
113 HD12 LEU 14 HD12 LEU 14 16.685 4.904 -4.043
114 HD13 LEU 14 HD13 LEU 14 17.220 6.510 -4.538
115 HD21 LEU 14 HD21 LEU 14 20.633 5.342 -5.516
116 HD22 LEU 14 HD22 LEU 14 20.353 4.804 -3.860
117 HD23 LEU 14 HD23 LEU 14 19.918 6.444 -4.340
118 H LYS 15 HN LYS 15 19.444 1.071 -6.141
119 HA LYS 15 HA LYS 15 20.813 1.768 -8.525
120 HB2 LYS 15 HB2 LYS 15 21.669 -0.563 -8.352
121 HB3 LYS 15 HB1 LYS 15 21.651 0.244 -6.784
122 HG2 LYS 15 HG2 LYS 15 20.612 -1.712 -6.164
123 HG3 LYS 15 HG1 LYS 15 19.189 -0.830 -6.715
124 HD2 LYS 15 HD2 LYS 15 18.829 -2.519 -8.166
125 HD3 LYS 15 HD1 LYS 15 20.249 -1.956 -9.048
126 HE2 LYS 15 HE2 LYS 15 21.570 -3.371 -7.248
127 HE3 LYS 15 HE1 LYS 15 20.020 -4.219 -7.083
128 HZ1 LYS 15 HZ1 LYS 15 19.951 -4.469 -9.496
129 HZ2 LYS 15 HZ2 LYS 15 21.338 -5.208 -8.850
130 HZ3 LYS 15 HZ3 LYS 15 21.459 -3.705 -9.634
131 H ASN 16 HN ASN 16 17.886 -0.150 -8.043
132 HA ASN 16 HA ASN 16 17.740 -1.434 -10.582
133 HB2 ASN 16 HB2 ASN 16 15.875 -0.586 -8.406
134 HB3 ASN 16 HB1 ASN 16 15.161 -1.089 -9.939
135 HD21 ASN 16 HD21 ASN 16 16.611 -2.240 -7.018
136 HD22 ASN 16 HD22 ASN 16 16.693 -3.879 -7.450
137 H LEU 17 HN LEU 17 17.303 1.902 -9.698
138 HA LEU 17 HA LEU 17 15.898 2.519 -12.254
139 HB2 LEU 17 HB2 LEU 17 16.647 4.280 -9.896
140 HB3 LEU 17 HB1 LEU 17 15.518 4.686 -11.188
141 HG LEU 17 HG LEU 17 15.166 2.363 -9.274
142 HD11 LEU 17 HD11 LEU 17 13.389 4.763 -9.260
143 HD12 LEU 17 HD12 LEU 17 14.975 4.918 -8.503
144 HD13 LEU 17 HD13 LEU 17 13.841 3.693 -7.933
145 HD21 LEU 17 HD21 LEU 17 12.782 3.345 -10.589
146 HD22 LEU 17 HD22 LEU 17 13.477 1.726 -10.630
147 HD23 LEU 17 HD23 LEU 17 14.006 2.941 -11.792
148 H ILE 18 HN ILE 18 18.563 4.006 -10.378
149 HA ILE 18 HA ILE 18 19.717 5.411 -12.575
150 HB ILE 18 HB ILE 18 21.637 5.622 -11.024
151 HG12 ILE 18 HG12 ILE 18 20.151 3.596 -9.321
152 HG13 ILE 18 HG11 ILE 18 21.596 3.233 -10.265
153 HG21 ILE 18 HG21 ILE 18 18.949 6.353 -10.523
154 HG22 ILE 18 HG22 ILE 18 20.403 7.115 -9.881
155 HG23 ILE 18 HG23 ILE 18 19.613 5.825 -8.977
156 HD11 ILE 18 HD11 ILE 18 21.654 5.546 -8.358
157 HD12 ILE 18 HD12 ILE 18 22.976 4.512 -8.900
158 HD13 ILE 18 HD13 ILE 18 21.812 3.909 -7.721
159 H LYS 19 HN LYS 19 20.134 2.096 -11.445
160 HA LYS 19 HA LYS 19 22.117 1.644 -13.654
161 HB2 LYS 19 HB2 LYS 19 21.846 0.671 -10.828
162 HB3 LYS 19 HB1 LYS 19 22.635 -0.374 -12.011
163 HG2 LYS 19 HG2 LYS 19 23.410 2.522 -11.596
164 HG3 LYS 19 HG1 LYS 19 24.191 1.188 -10.747
165 HD2 LYS 19 HD2 LYS 19 24.312 0.255 -13.290
166 HD3 LYS 19 HD1 LYS 19 24.391 1.991 -13.597
167 HE2 LYS 19 HE2 LYS 19 26.280 2.189 -12.004
168 HE3 LYS 19 HE1 LYS 19 26.216 0.437 -11.725
169 HZ1 LYS 19 HZ1 LYS 19 27.788 0.806 -13.452
170 HZ2 LYS 19 HZ2 LYS 19 26.732 1.838 -14.292
171 HZ3 LYS 19 HZ3 LYS 19 26.396 0.176 -14.188
172 HN1 NH2 20 H1 NH2 20 21.733 -0.244 -14.984
173 HN2 NH2 20 H2 NH2 20 20.298 -1.148 -14.902
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 15.195 1.020 16.808
2 H2 LYS 1 HT2 LYS 1 14.641 2.143 15.658
3 H3 LYS 1 HT3 LYS 1 16.298 1.778 15.765
4 HA LYS 1 HA LYS 1 15.442 0.621 13.870
5 HB2 LYS 1 HB2 LYS 1 16.298 -0.698 16.380
6 HB3 LYS 1 HB1 LYS 1 15.626 -1.781 15.160
7 HG2 LYS 1 HG2 LYS 1 17.432 0.151 13.953
8 HG3 LYS 1 HG1 LYS 1 18.240 -0.757 15.231
9 HD2 LYS 1 HD2 LYS 1 16.530 -2.360 13.416
10 HD3 LYS 1 HD1 LYS 1 17.980 -1.671 12.684
11 HE2 LYS 1 HE2 LYS 1 18.186 -3.068 15.346
12 HE3 LYS 1 HE1 LYS 1 18.167 -4.014 13.844
13 HZ1 LYS 1 HZ1 LYS 1 20.427 -3.332 14.449
14 HZ2 LYS 1 HZ2 LYS 1 19.954 -1.702 14.393
15 HZ3 LYS 1 HZ3 LYS 1 19.943 -2.642 12.978
16 H ILE 2 HN ILE 2 13.128 1.304 13.687
17 HA ILE 2 HA ILE 2 11.169 -0.532 14.988
18 HB ILE 2 HB ILE 2 10.719 1.936 13.282
19 HG12 ILE 2 HG12 ILE 2 10.255 2.711 15.873
20 HG13 ILE 2 HG11 ILE 2 11.636 1.631 16.078
21 HG21 ILE 2 HG21 ILE 2 8.641 1.880 14.942
22 HG22 ILE 2 HG22 ILE 2 9.030 0.160 15.000
23 HG23 ILE 2 HG23 ILE 2 8.643 0.926 13.458
24 HD11 ILE 2 HD11 ILE 2 13.040 2.957 14.793
25 HD12 ILE 2 HD12 ILE 2 12.006 4.193 15.507
26 HD13 ILE 2 HD13 ILE 2 11.710 3.641 13.859
27 H PHE 3 HN PHE 3 12.595 0.261 11.892
28 HA PHE 3 HA PHE 3 10.605 -1.417 10.443
29 HB2 PHE 3 HB2 PHE 3 12.919 0.251 9.406
30 HB3 PHE 3 HB1 PHE 3 11.549 -0.358 8.477
31 HD1 PHE 3 HD1 PHE 3 9.189 0.224 9.886
32 HD2 PHE 3 HD2 PHE 3 12.799 2.548 9.760
33 HE1 PHE 3 HE1 PHE 3 7.895 2.263 10.449
34 HE2 PHE 3 HE2 PHE 3 11.505 4.587 10.324
35 HZ PHE 3 HZ PHE 3 9.053 4.445 10.669
36 H GLY 4 HN GLY 4 11.310 -3.249 9.208
37 HA2 GLY 4 HA2 GLY 4 13.914 -4.378 10.122
38 HA3 GLY 4 HA1 GLY 4 12.549 -5.334 9.550
39 H ALA 5 HN ALA 5 12.041 -5.220 7.224
40 HA ALA 5 HA ALA 5 14.520 -5.004 5.613
41 HB1 ALA 5 HB1 ALA 5 13.281 -6.346 4.043
42 HB2 ALA 5 HB2 ALA 5 11.751 -5.944 4.823
43 HB3 ALA 5 HB3 ALA 5 12.917 -6.978 5.648
44 H ILE 6 HN ILE 6 13.292 -2.494 6.471
45 HA ILE 6 HA ILE 6 11.975 -1.438 4.022
46 HB ILE 6 HB ILE 6 12.488 -0.458 6.838
47 HG12 ILE 6 HG12 ILE 6 9.907 -0.287 6.662
48 HG13 ILE 6 HG11 ILE 6 10.080 -1.274 5.210
49 HG21 ILE 6 HG21 ILE 6 12.634 1.599 5.803
50 HG22 ILE 6 HG22 ILE 6 10.878 1.457 5.896
51 HG23 ILE 6 HG23 ILE 6 11.716 1.071 4.392
52 HD11 ILE 6 HD11 ILE 6 10.542 -3.148 6.400
53 HD12 ILE 6 HD12 ILE 6 9.862 -2.269 7.770
54 HD13 ILE 6 HD13 ILE 6 11.606 -2.287 7.512
55 H TRP 7 HN TRP 7 14.918 -1.051 5.966
56 HA TRP 7 HA TRP 7 16.008 1.175 4.508
57 HB2 TRP 7 HB2 TRP 7 17.416 -1.012 6.073
58 HB3 TRP 7 HB1 TRP 7 18.043 0.597 5.732
59 HD1 TRP 7 HD1 TRP 7 15.773 -1.293 8.053
60 HE1 TRP 7 HE1 TRP 7 14.836 0.305 9.846
61 HE3 TRP 7 HE3 TRP 7 17.279 3.185 6.115
62 HZ2 TRP 7 HZ2 TRP 7 14.733 3.108 10.383
63 HZ3 TRP 7 HZ3 TRP 7 16.745 5.302 7.287
64 HH2 TRP 7 HH2 TRP 7 15.477 5.271 9.416
65 HA PRO 8 HA PRO 8 18.486 -2.187 2.097
66 HB2 PRO 8 HB2 PRO 8 17.313 -4.687 1.995
67 HB3 PRO 8 HB1 PRO 8 18.605 -4.240 3.125
68 HG2 PRO 8 HG2 PRO 8 15.682 -4.460 3.582
69 HG3 PRO 8 HG1 PRO 8 17.029 -4.838 4.665
70 HD2 PRO 8 HD2 PRO 8 15.519 -2.593 4.882
71 HD3 PRO 8 HD1 PRO 8 17.214 -2.685 5.401
72 H LEU 9 HN LEU 9 14.967 -2.263 2.263
73 HA LEU 9 HA LEU 9 14.577 -2.907 -0.561
74 HB2 LEU 9 HB2 LEU 9 13.028 -2.420 1.873
75 HB3 LEU 9 HB1 LEU 9 12.268 -1.707 0.450
76 HG LEU 9 HG LEU 9 13.233 -4.576 0.609
77 HD11 LEU 9 HD11 LEU 9 10.346 -3.763 0.506
78 HD12 LEU 9 HD12 LEU 9 11.184 -3.749 2.058
79 HD13 LEU 9 HD13 LEU 9 11.066 -5.246 1.132
80 HD21 LEU 9 HD21 LEU 9 11.540 -4.602 -1.416
81 HD22 LEU 9 HD22 LEU 9 13.194 -4.042 -1.663
82 HD23 LEU 9 HD23 LEU 9 11.887 -2.873 -1.468
83 H ALA 10 HN ALA 10 14.898 0.029 1.363
84 HA ALA 10 HA ALA 10 13.963 1.815 -0.764
85 HB1 ALA 10 HB1 ALA 10 13.619 2.750 1.313
86 HB2 ALA 10 HB2 ALA 10 15.231 3.402 1.014
87 HB3 ALA 10 HB3 ALA 10 15.033 1.962 2.013
88 H LEU 11 HN LEU 11 17.041 0.504 0.331
89 HA LEU 11 HA LEU 11 18.606 2.378 -1.340
90 HB2 LEU 11 HB2 LEU 11 19.116 0.201 0.667
91 HB3 LEU 11 HB1 LEU 11 20.432 0.722 -0.387
92 HG LEU 11 HG LEU 11 18.855 2.885 0.904
93 HD11 LEU 11 HD11 LEU 11 20.380 0.806 2.406
94 HD12 LEU 11 HD12 LEU 11 19.001 1.777 2.919
95 HD13 LEU 11 HD13 LEU 11 20.616 2.485 2.887
96 HD21 LEU 11 HD21 LEU 11 21.825 2.671 1.002
97 HD22 LEU 11 HD22 LEU 11 20.811 4.062 0.621
98 HD23 LEU 11 HD23 LEU 11 21.094 2.819 -0.596
99 H GLY 12 HN GLY 12 17.327 -0.881 -1.480
100 HA2 GLY 12 HA2 GLY 12 19.083 -1.726 -3.664
101 HA3 GLY 12 HA1 GLY 12 17.695 -2.622 -3.043
102 H ALA 13 HN ALA 13 15.903 -0.269 -3.323
103 HA ALA 13 HA ALA 13 15.067 -0.737 -6.074
104 HB1 ALA 13 HB1 ALA 13 13.863 -0.056 -3.735
105 HB2 ALA 13 HB2 ALA 13 13.125 0.221 -5.313
106 HB3 ALA 13 HB3 ALA 13 13.977 1.531 -4.495
107 H LEU 14 HN LEU 14 16.953 1.713 -4.415
108 HA LEU 14 HA LEU 14 16.700 3.836 -6.336
109 HB2 LEU 14 HB2 LEU 14 18.048 3.249 -3.901
110 HB3 LEU 14 HB1 LEU 14 19.284 3.757 -5.052
111 HG LEU 14 HG LEU 14 17.382 5.609 -5.580
112 HD11 LEU 14 HD11 LEU 14 15.754 5.146 -3.982
113 HD12 LEU 14 HD12 LEU 14 16.743 6.322 -3.117
114 HD13 LEU 14 HD13 LEU 14 16.934 4.600 -2.789
115 HD21 LEU 14 HD21 LEU 14 18.672 6.929 -3.647
116 HD22 LEU 14 HD22 LEU 14 19.485 6.469 -5.144
117 HD23 LEU 14 HD23 LEU 14 19.697 5.495 -3.690
118 H LYS 15 HN LYS 15 19.404 1.520 -5.857
119 HA LYS 15 HA LYS 15 20.812 2.203 -8.245
120 HB2 LYS 15 HB2 LYS 15 21.952 0.040 -7.809
121 HB3 LYS 15 HB1 LYS 15 21.744 0.967 -6.323
122 HG2 LYS 15 HG2 LYS 15 20.895 -1.005 -5.538
123 HG3 LYS 15 HG1 LYS 15 19.423 -0.440 -6.328
124 HD2 LYS 15 HD2 LYS 15 19.740 -1.821 -8.196
125 HD3 LYS 15 HD1 LYS 15 21.467 -2.004 -7.887
126 HE2 LYS 15 HE2 LYS 15 19.824 -2.984 -5.659
127 HE3 LYS 15 HE1 LYS 15 19.525 -3.855 -7.176
128 HZ1 LYS 15 HZ1 LYS 15 21.973 -3.970 -7.465
129 HZ2 LYS 15 HZ2 LYS 15 21.410 -4.848 -6.124
130 HZ3 LYS 15 HZ3 LYS 15 22.159 -3.339 -5.903
131 H ASN 16 HN ASN 16 18.021 0.156 -7.704
132 HA ASN 16 HA ASN 16 18.130 -1.518 -10.001
133 HB2 ASN 16 HB2 ASN 16 16.171 -0.532 -8.033
134 HB3 ASN 16 HB1 ASN 16 15.456 -0.980 -9.581
135 HD21 ASN 16 HD21 ASN 16 17.996 -2.317 -7.375
136 HD22 ASN 16 HD22 ASN 16 17.461 -3.923 -7.503
137 H LEU 17 HN LEU 17 17.277 1.877 -9.660
138 HA LEU 17 HA LEU 17 16.175 2.012 -12.410
139 HB2 LEU 17 HB2 LEU 17 16.661 4.170 -10.328
140 HB3 LEU 17 HB1 LEU 17 15.624 4.298 -11.749
141 HG LEU 17 HG LEU 17 15.214 2.325 -9.485
142 HD11 LEU 17 HD11 LEU 17 14.746 4.525 -8.643
143 HD12 LEU 17 HD12 LEU 17 13.190 3.797 -9.044
144 HD13 LEU 17 HD13 LEU 17 13.915 4.982 -10.130
145 HD21 LEU 17 HD21 LEU 17 12.961 2.089 -10.613
146 HD22 LEU 17 HD22 LEU 17 14.313 1.474 -11.563
147 HD23 LEU 17 HD23 LEU 17 13.602 3.041 -11.952
148 H ILE 18 HN ILE 18 18.610 3.935 -10.618
149 HA ILE 18 HA ILE 18 19.901 4.983 -12.939
150 HB ILE 18 HB ILE 18 21.652 5.591 -11.301
151 HG12 ILE 18 HG12 ILE 18 20.116 3.808 -9.382
152 HG13 ILE 18 HG11 ILE 18 21.659 3.379 -10.122
153 HG21 ILE 18 HG21 ILE 18 19.109 5.822 -9.743
154 HG22 ILE 18 HG22 ILE 18 19.169 6.545 -11.350
155 HG23 ILE 18 HG23 ILE 18 20.314 7.056 -10.110
156 HD11 ILE 18 HD11 ILE 18 22.376 4.291 -8.105
157 HD12 ILE 18 HD12 ILE 18 21.068 5.473 -8.057
158 HD13 ILE 18 HD13 ILE 18 22.429 5.709 -9.152
159 H LYS 19 HN LYS 19 20.289 1.949 -11.209
160 HA LYS 19 HA LYS 19 22.399 1.153 -13.188
161 HB2 LYS 19 HB2 LYS 19 22.203 0.762 -10.193
162 HB3 LYS 19 HB1 LYS 19 23.291 -0.201 -11.193
163 HG2 LYS 19 HG2 LYS 19 23.336 2.782 -11.475
164 HG3 LYS 19 HG1 LYS 19 24.139 2.049 -10.087
165 HD2 LYS 19 HD2 LYS 19 25.117 0.435 -11.978
166 HD3 LYS 19 HD1 LYS 19 24.810 1.847 -12.989
167 HE2 LYS 19 HE2 LYS 19 26.240 3.235 -11.650
168 HE3 LYS 19 HE1 LYS 19 26.346 2.003 -10.376
169 HZ1 LYS 19 HZ1 LYS 19 27.352 0.491 -11.979
170 HZ2 LYS 19 HZ2 LYS 19 28.282 1.903 -11.824
171 HZ3 LYS 19 HZ3 LYS 19 27.282 1.686 -13.180
172 HN1 NH2 20 H1 NH2 20 22.578 -1.487 -12.913
173 HN2 NH2 20 H2 NH2 20 21.080 -2.283 -12.963
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 16.653 -2.032 11.931
2 H2 LYS 1 HT2 LYS 1 18.292 -1.924 12.365
3 H3 LYS 1 HT3 LYS 1 17.239 -0.629 12.682
4 HA LYS 1 HA LYS 1 17.282 -3.291 14.002
5 HB2 LYS 1 HB2 LYS 1 18.017 -0.456 14.584
6 HB3 LYS 1 HB1 LYS 1 17.359 -1.408 15.916
7 HG2 LYS 1 HG2 LYS 1 19.139 -2.894 15.917
8 HG3 LYS 1 HG1 LYS 1 19.499 -2.627 14.211
9 HD2 LYS 1 HD2 LYS 1 21.228 -1.402 15.094
10 HD3 LYS 1 HD1 LYS 1 19.988 -0.147 15.142
11 HE2 LYS 1 HE2 LYS 1 19.950 -1.922 17.497
12 HE3 LYS 1 HE1 LYS 1 21.434 -0.963 17.336
13 HZ1 LYS 1 HZ1 LYS 1 18.716 0.176 16.992
14 HZ2 LYS 1 HZ2 LYS 1 20.185 1.020 17.120
15 HZ3 LYS 1 HZ3 LYS 1 19.548 0.208 18.470
16 H ILE 2 HN ILE 2 15.512 -0.211 13.605
17 HA ILE 2 HA ILE 2 13.210 -1.272 15.143
18 HB ILE 2 HB ILE 2 13.501 1.363 13.673
19 HG12 ILE 2 HG12 ILE 2 14.054 1.863 16.345
20 HG13 ILE 2 HG11 ILE 2 14.921 0.357 16.042
21 HG21 ILE 2 HG21 ILE 2 12.080 0.997 16.276
22 HG22 ILE 2 HG22 ILE 2 11.308 0.365 14.822
23 HG23 ILE 2 HG23 ILE 2 11.705 2.079 14.934
24 HD11 ILE 2 HD11 ILE 2 15.427 3.066 14.979
25 HD12 ILE 2 HD12 ILE 2 15.525 1.775 13.782
26 HD13 ILE 2 HD13 ILE 2 16.546 1.724 15.219
27 H PHE 3 HN PHE 3 14.114 -0.439 11.827
28 HA PHE 3 HA PHE 3 11.400 -1.198 10.852
29 HB2 PHE 3 HB2 PHE 3 13.809 -0.008 9.432
30 HB3 PHE 3 HB1 PHE 3 12.173 -0.118 8.787
31 HD1 PHE 3 HD1 PHE 3 10.353 1.271 9.706
32 HD2 PHE 3 HD2 PHE 3 14.391 1.634 11.129
33 HE1 PHE 3 HE1 PHE 3 9.778 3.426 10.789
34 HE2 PHE 3 HE2 PHE 3 13.815 3.789 12.212
35 HZ PHE 3 HZ PHE 3 11.509 4.685 12.042
36 H GLY 4 HN GLY 4 11.091 -3.101 9.719
37 HA2 GLY 4 HA2 GLY 4 13.079 -5.167 9.790
38 HA3 GLY 4 HA1 GLY 4 11.573 -5.237 8.875
39 H ALA 5 HN ALA 5 11.856 -5.389 6.714
40 HA ALA 5 HA ALA 5 14.481 -4.823 5.511
41 HB1 ALA 5 HB1 ALA 5 12.016 -5.530 3.962
42 HB2 ALA 5 HB2 ALA 5 12.647 -6.714 5.106
43 HB3 ALA 5 HB3 ALA 5 13.661 -6.140 3.781
44 H ILE 6 HN ILE 6 13.663 -2.405 6.401
45 HA ILE 6 HA ILE 6 12.220 -1.011 4.200
46 HB ILE 6 HB ILE 6 13.089 -0.326 7.020
47 HG12 ILE 6 HG12 ILE 6 10.512 0.069 7.096
48 HG13 ILE 6 HG11 ILE 6 10.486 -0.868 5.602
49 HG21 ILE 6 HG21 ILE 6 11.633 1.795 6.479
50 HG22 ILE 6 HG22 ILE 6 12.090 1.451 4.812
51 HG23 ILE 6 HG23 ILE 6 13.335 1.771 6.019
52 HD11 ILE 6 HD11 ILE 6 10.464 -1.923 8.169
53 HD12 ILE 6 HD12 ILE 6 12.147 -2.103 7.673
54 HD13 ILE 6 HD13 ILE 6 10.859 -2.811 6.697
55 H TRP 7 HN TRP 7 15.309 -0.862 5.998
56 HA TRP 7 HA TRP 7 16.450 1.287 4.480
57 HB2 TRP 7 HB2 TRP 7 17.823 -0.988 5.944
58 HB3 TRP 7 HB1 TRP 7 18.512 0.592 5.583
59 HD1 TRP 7 HD1 TRP 7 16.446 -1.228 8.091
60 HE1 TRP 7 HE1 TRP 7 15.644 0.394 9.926
61 HE3 TRP 7 HE3 TRP 7 17.687 3.228 5.929
62 HZ2 TRP 7 HZ2 TRP 7 15.534 3.208 10.410
63 HZ3 TRP 7 HZ3 TRP 7 17.219 5.363 7.098
64 HH2 TRP 7 HH2 TRP 7 16.147 5.360 9.333
65 HA PRO 8 HA PRO 8 18.604 -2.164 1.909
66 HB2 PRO 8 HB2 PRO 8 17.355 -4.621 1.880
67 HB3 PRO 8 HB1 PRO 8 18.713 -4.213 2.946
68 HG2 PRO 8 HG2 PRO 8 15.810 -4.341 3.544
69 HG3 PRO 8 HG1 PRO 8 17.194 -4.764 4.562
70 HD2 PRO 8 HD2 PRO 8 15.766 -2.466 4.840
71 HD3 PRO 8 HD1 PRO 8 17.475 -2.622 5.294
72 H LEU 9 HN LEU 9 15.088 -2.240 2.293
73 HA LEU 9 HA LEU 9 14.505 -2.827 -0.496
74 HB2 LEU 9 HB2 LEU 9 13.015 -3.286 1.450
75 HB3 LEU 9 HB1 LEU 9 12.828 -1.548 1.687
76 HG LEU 9 HG LEU 9 12.292 -2.560 -1.054
77 HD11 LEU 9 HD11 LEU 9 10.251 -3.599 -0.585
78 HD12 LEU 9 HD12 LEU 9 10.129 -2.861 1.012
79 HD13 LEU 9 HD13 LEU 9 11.264 -4.182 0.736
80 HD21 LEU 9 HD21 LEU 9 11.357 -0.427 0.821
81 HD22 LEU 9 HD22 LEU 9 10.235 -0.969 -0.426
82 HD23 LEU 9 HD23 LEU 9 11.805 -0.306 -0.880
83 H ALA 10 HN ALA 10 15.188 0.084 1.334
84 HA ALA 10 HA ALA 10 14.048 1.934 -0.619
85 HB1 ALA 10 HB1 ALA 10 15.725 2.038 1.867
86 HB2 ALA 10 HB2 ALA 10 14.162 2.788 1.547
87 HB3 ALA 10 HB3 ALA 10 15.628 3.476 0.851
88 H LEU 11 HN LEU 11 17.447 1.558 0.454
89 HA LEU 11 HA LEU 11 18.583 2.817 -1.849
90 HB2 LEU 11 HB2 LEU 11 20.678 1.819 -0.953
91 HB3 LEU 11 HB1 LEU 11 19.703 2.542 0.325
92 HG LEU 11 HG LEU 11 18.702 -0.004 0.283
93 HD11 LEU 11 HD11 LEU 11 20.859 -1.414 0.329
94 HD12 LEU 11 HD12 LEU 11 21.603 -0.080 -0.550
95 HD13 LEU 11 HD13 LEU 11 20.240 -0.948 -1.256
96 HD21 LEU 11 HD21 LEU 11 19.725 1.535 2.150
97 HD22 LEU 11 HD22 LEU 11 21.185 0.585 1.874
98 HD23 LEU 11 HD23 LEU 11 19.699 -0.211 2.390
99 H GLY 12 HN GLY 12 17.511 -0.467 -1.273
100 HA2 GLY 12 HA2 GLY 12 19.019 -1.768 -3.335
101 HA3 GLY 12 HA1 GLY 12 17.506 -2.366 -2.651
102 H ALA 13 HN ALA 13 15.735 -0.356 -3.334
103 HA ALA 13 HA ALA 13 15.224 -0.928 -6.124
104 HB1 ALA 13 HB1 ALA 13 13.543 1.095 -5.516
105 HB2 ALA 13 HB2 ALA 13 14.039 0.644 -3.886
106 HB3 ALA 13 HB3 ALA 13 13.284 -0.551 -4.940
107 H LEU 14 HN LEU 14 16.896 1.648 -4.439
108 HA LEU 14 HA LEU 14 16.737 3.731 -6.375
109 HB2 LEU 14 HB2 LEU 14 17.774 3.448 -3.921
110 HB3 LEU 14 HB1 LEU 14 19.259 3.233 -4.848
111 HG LEU 14 HG LEU 14 18.536 5.372 -6.117
112 HD11 LEU 14 HD11 LEU 14 17.134 6.895 -4.714
113 HD12 LEU 14 HD12 LEU 14 16.815 5.544 -3.626
114 HD13 LEU 14 HD13 LEU 14 16.244 5.486 -5.293
115 HD21 LEU 14 HD21 LEU 14 20.371 5.097 -4.337
116 HD22 LEU 14 HD22 LEU 14 19.204 5.762 -3.193
117 HD23 LEU 14 HD23 LEU 14 19.739 6.727 -4.568
118 H LYS 15 HN LYS 15 19.527 1.530 -5.872
119 HA LYS 15 HA LYS 15 20.845 2.157 -8.317
120 HB2 LYS 15 HB2 LYS 15 22.075 0.047 -7.822
121 HB3 LYS 15 HB1 LYS 15 21.888 1.053 -6.388
122 HG2 LYS 15 HG2 LYS 15 21.097 -0.851 -5.427
123 HG3 LYS 15 HG1 LYS 15 19.605 -0.450 -6.276
124 HD2 LYS 15 HD2 LYS 15 19.795 -2.433 -7.334
125 HD3 LYS 15 HD1 LYS 15 21.165 -1.743 -8.204
126 HE2 LYS 15 HE2 LYS 15 22.359 -2.431 -5.836
127 HE3 LYS 15 HE1 LYS 15 21.149 -3.719 -6.005
128 HZ1 LYS 15 HZ1 LYS 15 21.876 -3.884 -8.383
129 HZ2 LYS 15 HZ2 LYS 15 23.028 -4.402 -7.248
130 HZ3 LYS 15 HZ3 LYS 15 23.188 -2.883 -7.991
131 H ASN 16 HN ASN 16 18.193 -0.042 -7.624
132 HA ASN 16 HA ASN 16 18.345 -1.759 -9.889
133 HB2 ASN 16 HB2 ASN 16 16.374 -0.860 -7.884
134 HB3 ASN 16 HB1 ASN 16 15.659 -1.432 -9.391
135 HD21 ASN 16 HD21 ASN 16 17.887 -2.406 -6.761
136 HD22 ASN 16 HD22 ASN 16 17.692 -4.075 -7.000
137 H LEU 17 HN LEU 17 17.255 1.572 -9.585
138 HA LEU 17 HA LEU 17 16.047 1.567 -12.294
139 HB2 LEU 17 HB2 LEU 17 16.462 3.796 -10.272
140 HB3 LEU 17 HB1 LEU 17 15.377 3.833 -11.662
141 HG LEU 17 HG LEU 17 15.159 1.868 -9.365
142 HD11 LEU 17 HD11 LEU 17 14.431 3.797 -8.333
143 HD12 LEU 17 HD12 LEU 17 12.938 3.352 -9.161
144 HD13 LEU 17 HD13 LEU 17 14.002 4.575 -9.856
145 HD21 LEU 17 HD21 LEU 17 12.781 1.740 -10.493
146 HD22 LEU 17 HD22 LEU 17 14.122 0.830 -11.186
147 HD23 LEU 17 HD23 LEU 17 13.631 2.364 -11.906
148 H ILE 18 HN ILE 18 18.413 3.683 -10.635
149 HA ILE 18 HA ILE 18 19.538 4.779 -13.017
150 HB ILE 18 HB ILE 18 21.323 5.508 -11.460
151 HG12 ILE 18 HG12 ILE 18 19.949 3.699 -9.447
152 HG13 ILE 18 HG11 ILE 18 21.477 3.319 -10.241
153 HG21 ILE 18 HG21 ILE 18 18.617 5.564 -10.102
154 HG22 ILE 18 HG22 ILE 18 19.046 6.588 -11.472
155 HG23 ILE 18 HG23 ILE 18 19.912 6.750 -9.943
156 HD11 ILE 18 HD11 ILE 18 21.200 5.960 -8.854
157 HD12 ILE 18 HD12 ILE 18 22.641 4.974 -9.104
158 HD13 ILE 18 HD13 ILE 18 21.459 4.513 -7.878
159 H LYS 19 HN LYS 19 20.212 1.802 -11.269
160 HA LYS 19 HA LYS 19 22.252 1.110 -13.356
161 HB2 LYS 19 HB2 LYS 19 22.312 0.889 -10.345
162 HB3 LYS 19 HB1 LYS 19 23.344 -0.130 -11.349
163 HG2 LYS 19 HG2 LYS 19 23.253 2.886 -11.599
164 HG3 LYS 19 HG1 LYS 19 24.414 2.038 -10.577
165 HD2 LYS 19 HD2 LYS 19 24.366 0.815 -13.189
166 HD3 LYS 19 HD1 LYS 19 24.623 2.552 -13.356
167 HE2 LYS 19 HE2 LYS 19 26.292 2.006 -11.263
168 HE3 LYS 19 HE1 LYS 19 26.408 0.498 -12.193
169 HZ1 LYS 19 HZ1 LYS 19 26.704 3.247 -13.288
170 HZ2 LYS 19 HZ2 LYS 19 26.755 1.815 -14.201
171 HZ3 LYS 19 HZ3 LYS 19 27.964 2.136 -13.051
172 HN1 NH2 20 H1 NH2 20 19.384 0.350 -13.278
173 HN2 NH2 20 H2 NH2 20 19.329 -1.335 -13.082
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 14.122 -1.525 15.458
2 H2 LYS 1 HT2 LYS 1 15.682 -0.904 15.198
3 H3 LYS 1 HT3 LYS 1 14.704 -1.334 13.877
4 HA LYS 1 HA LYS 1 14.324 0.953 15.735
5 HB2 LYS 1 HB2 LYS 1 14.791 0.603 12.754
6 HB3 LYS 1 HB1 LYS 1 14.528 2.155 13.550
7 HG2 LYS 1 HG2 LYS 1 16.506 1.541 15.062
8 HG3 LYS 1 HG1 LYS 1 16.850 0.255 13.904
9 HD2 LYS 1 HD2 LYS 1 16.911 1.972 12.086
10 HD3 LYS 1 HD1 LYS 1 16.711 3.225 13.310
11 HE2 LYS 1 HE2 LYS 1 18.802 1.819 14.373
12 HE3 LYS 1 HE1 LYS 1 19.113 1.634 12.635
13 HZ1 LYS 1 HZ1 LYS 1 18.621 4.172 14.100
14 HZ2 LYS 1 HZ2 LYS 1 18.692 4.051 12.406
15 HZ3 LYS 1 HZ3 LYS 1 20.064 3.699 13.346
16 H ILE 2 HN ILE 2 12.615 2.347 14.052
17 HA ILE 2 HA ILE 2 10.049 1.200 14.629
18 HB ILE 2 HB ILE 2 10.500 3.603 14.418
19 HG12 ILE 2 HG12 ILE 2 8.658 2.687 12.187
20 HG13 ILE 2 HG11 ILE 2 8.214 2.705 13.894
21 HG21 ILE 2 HG21 ILE 2 11.531 2.726 11.785
22 HG22 ILE 2 HG22 ILE 2 12.029 4.082 12.796
23 HG23 ILE 2 HG23 ILE 2 10.606 4.227 11.766
24 HD11 ILE 2 HD11 ILE 2 9.151 5.140 12.350
25 HD12 ILE 2 HD12 ILE 2 8.542 5.112 14.005
26 HD13 ILE 2 HD13 ILE 2 7.458 4.751 12.662
27 H PHE 3 HN PHE 3 12.250 0.697 12.003
28 HA PHE 3 HA PHE 3 10.094 -0.743 10.491
29 HB2 PHE 3 HB2 PHE 3 12.364 1.046 9.622
30 HB3 PHE 3 HB1 PHE 3 11.632 -0.100 8.500
31 HD1 PHE 3 HD1 PHE 3 11.465 3.191 9.696
32 HD2 PHE 3 HD2 PHE 3 8.943 -0.097 8.565
33 HE1 PHE 3 HE1 PHE 3 9.589 4.764 9.310
34 HE2 PHE 3 HE2 PHE 3 7.066 1.477 8.179
35 HZ PHE 3 HZ PHE 3 7.388 3.907 8.552
36 H GLY 4 HN GLY 4 10.705 -2.767 9.612
37 HA2 GLY 4 HA2 GLY 4 13.039 -4.024 10.890
38 HA3 GLY 4 HA1 GLY 4 11.805 -4.854 9.943
39 H ALA 5 HN ALA 5 12.262 -5.326 7.826
40 HA ALA 5 HA ALA 5 14.951 -4.633 6.818
41 HB1 ALA 5 HB1 ALA 5 12.719 -6.521 6.114
42 HB2 ALA 5 HB2 ALA 5 14.389 -6.892 6.540
43 HB3 ALA 5 HB3 ALA 5 14.012 -6.225 4.952
44 H ILE 6 HN ILE 6 13.402 -2.320 6.887
45 HA ILE 6 HA ILE 6 12.263 -1.918 4.170
46 HB ILE 6 HB ILE 6 12.382 -0.343 6.753
47 HG12 ILE 6 HG12 ILE 6 9.826 -0.543 6.354
48 HG13 ILE 6 HG11 ILE 6 10.250 -1.777 5.166
49 HG21 ILE 6 HG21 ILE 6 10.773 1.224 5.458
50 HG22 ILE 6 HG22 ILE 6 11.481 0.516 4.006
51 HG23 ILE 6 HG23 ILE 6 12.501 1.386 5.150
52 HD11 ILE 6 HD11 ILE 6 9.862 -2.288 7.821
53 HD12 ILE 6 HD12 ILE 6 11.610 -2.053 7.776
54 HD13 ILE 6 HD13 ILE 6 10.858 -3.284 6.761
55 H TRP 7 HN TRP 7 15.039 -1.047 6.143
56 HA TRP 7 HA TRP 7 16.012 1.090 4.456
57 HB2 TRP 7 HB2 TRP 7 17.473 -0.709 6.417
58 HB3 TRP 7 HB1 TRP 7 18.005 0.877 5.863
59 HD1 TRP 7 HD1 TRP 7 15.569 -0.824 8.210
60 HE1 TRP 7 HE1 TRP 7 14.441 0.950 9.700
61 HE3 TRP 7 HE3 TRP 7 17.237 3.430 5.931
62 HZ2 TRP 7 HZ2 TRP 7 14.265 3.793 9.897
63 HZ3 TRP 7 HZ3 TRP 7 16.573 5.658 6.790
64 HH2 TRP 7 HH2 TRP 7 15.091 5.846 8.770
65 HA PRO 8 HA PRO 8 18.898 -2.308 2.676
66 HB2 PRO 8 HB2 PRO 8 18.067 -4.918 2.960
67 HB3 PRO 8 HB1 PRO 8 19.204 -4.122 4.066
68 HG2 PRO 8 HG2 PRO 8 16.309 -4.670 4.401
69 HG3 PRO 8 HG1 PRO 8 17.609 -4.676 5.601
70 HD2 PRO 8 HD2 PRO 8 15.799 -2.653 5.323
71 HD3 PRO 8 HD1 PRO 8 17.429 -2.439 5.993
72 H LEU 9 HN LEU 9 15.413 -2.657 2.752
73 HA LEU 9 HA LEU 9 15.187 -3.875 0.099
74 HB2 LEU 9 HB2 LEU 9 13.558 -4.190 1.942
75 HB3 LEU 9 HB1 LEU 9 13.186 -2.466 1.898
76 HG LEU 9 HG LEU 9 12.500 -2.731 -0.498
77 HD11 LEU 9 HD11 LEU 9 13.460 -4.615 -1.400
78 HD12 LEU 9 HD12 LEU 9 11.935 -5.334 -0.886
79 HD13 LEU 9 HD13 LEU 9 13.376 -5.511 0.116
80 HD21 LEU 9 HD21 LEU 9 10.864 -4.737 0.975
81 HD22 LEU 9 HD22 LEU 9 10.355 -3.282 0.118
82 HD23 LEU 9 HD23 LEU 9 11.044 -3.157 1.736
83 H ALA 10 HN ALA 10 14.758 -0.609 1.474
84 HA ALA 10 HA ALA 10 13.926 0.661 -0.971
85 HB1 ALA 10 HB1 ALA 10 14.048 2.605 0.331
86 HB2 ALA 10 HB2 ALA 10 15.470 2.041 1.210
87 HB3 ALA 10 HB3 ALA 10 13.882 1.362 1.571
88 H LEU 11 HN LEU 11 17.107 0.122 0.523
89 HA LEU 11 HA LEU 11 18.654 1.749 -1.259
90 HB2 LEU 11 HB2 LEU 11 19.112 -0.587 0.573
91 HB3 LEU 11 HB1 LEU 11 20.424 -0.054 -0.477
92 HG LEU 11 HG LEU 11 18.920 1.971 1.152
93 HD11 LEU 11 HD11 LEU 11 20.817 -0.111 2.134
94 HD12 LEU 11 HD12 LEU 11 19.494 0.690 2.979
95 HD13 LEU 11 HD13 LEU 11 21.028 1.528 2.750
96 HD21 LEU 11 HD21 LEU 11 21.865 1.848 0.502
97 HD22 LEU 11 HD22 LEU 11 20.876 3.265 0.856
98 HD23 LEU 11 HD23 LEU 11 20.699 2.429 -0.686
99 H GLY 12 HN GLY 12 17.521 -1.608 -1.463
100 HA2 GLY 12 HA2 GLY 12 19.086 -2.342 -3.761
101 HA3 GLY 12 HA1 GLY 12 17.614 -3.157 -3.227
102 H ALA 13 HN ALA 13 16.036 -0.648 -3.353
103 HA ALA 13 HA ALA 13 15.275 -0.815 -6.174
104 HB1 ALA 13 HB1 ALA 13 14.349 0.912 -3.856
105 HB2 ALA 13 HB2 ALA 13 13.648 -0.632 -4.340
106 HB3 ALA 13 HB3 ALA 13 13.515 0.769 -5.403
107 H LEU 14 HN LEU 14 17.336 1.224 -4.263
108 HA LEU 14 HA LEU 14 17.187 3.680 -5.704
109 HB2 LEU 14 HB2 LEU 14 18.313 3.286 -3.522
110 HB3 LEU 14 HB1 LEU 14 19.546 2.333 -4.348
111 HG LEU 14 HG LEU 14 19.572 4.629 -5.837
112 HD11 LEU 14 HD11 LEU 14 18.115 5.931 -4.500
113 HD12 LEU 14 HD12 LEU 14 19.727 6.428 -3.985
114 HD13 LEU 14 HD13 LEU 14 18.794 5.303 -2.999
115 HD21 LEU 14 HD21 LEU 14 21.723 4.845 -5.020
116 HD22 LEU 14 HD22 LEU 14 21.366 3.220 -4.434
117 HD23 LEU 14 HD23 LEU 14 21.224 4.600 -3.347
118 H LYS 15 HN LYS 15 19.819 1.262 -5.996
119 HA LYS 15 HA LYS 15 20.879 2.252 -8.435
120 HB2 LYS 15 HB2 LYS 15 21.865 -0.077 -8.556
121 HB3 LYS 15 HB1 LYS 15 22.097 0.730 -7.008
122 HG2 LYS 15 HG2 LYS 15 21.037 -0.951 -5.957
123 HG3 LYS 15 HG1 LYS 15 19.590 -0.646 -6.912
124 HD2 LYS 15 HD2 LYS 15 19.920 -2.636 -7.907
125 HD3 LYS 15 HD1 LYS 15 21.356 -1.954 -8.667
126 HE2 LYS 15 HE2 LYS 15 22.771 -3.078 -7.266
127 HE3 LYS 15 HE1 LYS 15 21.726 -2.819 -5.854
128 HZ1 LYS 15 HZ1 LYS 15 21.129 -4.682 -8.092
129 HZ2 LYS 15 HZ2 LYS 15 20.194 -4.458 -6.691
130 HZ3 LYS 15 HZ3 LYS 15 21.740 -5.155 -6.582
131 H ASN 16 HN ASN 16 18.111 0.168 -7.838
132 HA ASN 16 HA ASN 16 17.796 -1.065 -10.372
133 HB2 ASN 16 HB2 ASN 16 16.159 -0.326 -8.026
134 HB3 ASN 16 HB1 ASN 16 15.239 -0.532 -9.516
135 HD21 ASN 16 HD21 ASN 16 18.231 -2.281 -8.646
136 HD22 ASN 16 HD22 ASN 16 17.511 -3.817 -8.591
137 H LEU 17 HN LEU 17 17.151 2.246 -9.344
138 HA LEU 17 HA LEU 17 15.687 2.903 -11.824
139 HB2 LEU 17 HB2 LEU 17 16.703 4.666 -9.569
140 HB3 LEU 17 HB1 LEU 17 15.455 5.079 -10.744
141 HG LEU 17 HG LEU 17 15.264 2.794 -8.760
142 HD11 LEU 17 HD11 LEU 17 14.027 5.564 -8.758
143 HD12 LEU 17 HD12 LEU 17 15.182 4.926 -7.586
144 HD13 LEU 17 HD13 LEU 17 13.551 4.260 -7.670
145 HD21 LEU 17 HD21 LEU 17 13.981 2.458 -10.845
146 HD22 LEU 17 HD22 LEU 17 13.229 4.041 -10.638
147 HD23 LEU 17 HD23 LEU 17 12.898 2.750 -9.483
148 H ILE 18 HN ILE 18 18.536 4.385 -10.234
149 HA ILE 18 HA ILE 18 19.514 5.706 -12.560
150 HB ILE 18 HB ILE 18 21.577 5.900 -11.195
151 HG12 ILE 18 HG12 ILE 18 20.189 3.987 -9.293
152 HG13 ILE 18 HG11 ILE 18 21.518 3.531 -10.361
153 HG21 ILE 18 HG21 ILE 18 20.186 6.514 -8.961
154 HG22 ILE 18 HG22 ILE 18 18.855 6.378 -10.109
155 HG23 ILE 18 HG23 ILE 18 20.164 7.520 -10.409
156 HD11 ILE 18 HD11 ILE 18 22.784 4.089 -8.536
157 HD12 ILE 18 HD12 ILE 18 21.555 5.176 -7.888
158 HD13 ILE 18 HD13 ILE 18 22.607 5.714 -9.197
159 H LYS 19 HN LYS 19 19.923 2.408 -11.414
160 HA LYS 19 HA LYS 19 21.609 1.835 -13.830
161 HB2 LYS 19 HB2 LYS 19 21.848 1.042 -10.934
162 HB3 LYS 19 HB1 LYS 19 22.539 0.010 -12.189
163 HG2 LYS 19 HG2 LYS 19 23.118 2.975 -12.007
164 HG3 LYS 19 HG1 LYS 19 24.122 1.756 -11.220
165 HD2 LYS 19 HD2 LYS 19 24.010 0.671 -13.676
166 HD3 LYS 19 HD1 LYS 19 23.806 2.366 -14.118
167 HE2 LYS 19 HE2 LYS 19 25.867 2.955 -12.900
168 HE3 LYS 19 HE1 LYS 19 26.072 1.257 -12.422
169 HZ1 LYS 19 HZ1 LYS 19 25.775 2.132 -15.241
170 HZ2 LYS 19 HZ2 LYS 19 26.225 0.594 -14.677
171 HZ3 LYS 19 HZ3 LYS 19 27.283 1.911 -14.499
172 HN1 NH2 20 H1 NH2 20 18.709 1.565 -13.756
173 HN2 NH2 20 H2 NH2 20 18.337 -0.090 -13.824
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 15.608 -1.591 14.272
2 H2 LYS 1 HT2 LYS 1 15.063 -3.200 14.229
3 H3 LYS 1 HT3 LYS 1 16.598 -2.837 14.860
4 HA LYS 1 HA LYS 1 15.178 -3.226 16.719
5 HB2 LYS 1 HB2 LYS 1 16.179 -0.541 15.959
6 HB3 LYS 1 HB1 LYS 1 15.078 -0.567 17.336
7 HG2 LYS 1 HG2 LYS 1 16.909 -2.750 17.624
8 HG3 LYS 1 HG1 LYS 1 17.842 -1.294 17.278
9 HD2 LYS 1 HD2 LYS 1 16.948 -0.141 19.149
10 HD3 LYS 1 HD1 LYS 1 15.638 -1.308 19.343
11 HE2 LYS 1 HE2 LYS 1 18.501 -2.228 19.571
12 HE3 LYS 1 HE1 LYS 1 17.690 -1.477 20.960
13 HZ1 LYS 1 HZ1 LYS 1 15.810 -3.021 20.564
14 HZ2 LYS 1 HZ2 LYS 1 17.244 -3.813 21.017
15 HZ3 LYS 1 HZ3 LYS 1 16.744 -3.817 19.393
16 H ILE 2 HN ILE 2 13.834 -0.680 14.589
17 HA ILE 2 HA ILE 2 11.128 -1.273 15.739
18 HB ILE 2 HB ILE 2 11.999 0.984 16.172
19 HG12 ILE 2 HG12 ILE 2 9.890 1.060 13.992
20 HG13 ILE 2 HG11 ILE 2 9.563 0.649 15.676
21 HG21 ILE 2 HG21 ILE 2 12.700 0.779 13.303
22 HG22 ILE 2 HG22 ILE 2 13.487 1.687 14.593
23 HG23 ILE 2 HG23 ILE 2 12.052 2.341 13.804
24 HD11 ILE 2 HD11 ILE 2 9.076 2.968 15.522
25 HD12 ILE 2 HD12 ILE 2 10.513 3.285 14.549
26 HD13 ILE 2 HD13 ILE 2 10.675 2.895 16.262
27 H PHE 3 HN PHE 3 13.066 -1.290 12.863
28 HA PHE 3 HA PHE 3 10.615 -1.887 11.240
29 HB2 PHE 3 HB2 PHE 3 13.090 -0.250 10.694
30 HB3 PHE 3 HB1 PHE 3 12.129 -0.899 9.366
31 HD1 PHE 3 HD1 PHE 3 12.526 1.849 11.535
32 HD2 PHE 3 HD2 PHE 3 9.499 -0.527 9.625
33 HE1 PHE 3 HE1 PHE 3 10.901 3.702 11.806
34 HE2 PHE 3 HE2 PHE 3 7.874 1.327 9.895
35 HZ PHE 3 HZ PHE 3 8.575 3.442 10.987
36 H GLY 4 HN GLY 4 14.097 -2.104 10.487
37 HA2 GLY 4 HA2 GLY 4 15.214 -4.361 10.703
38 HA3 GLY 4 HA1 GLY 4 13.712 -5.045 10.084
39 H ALA 5 HN ALA 5 13.628 -5.394 7.918
40 HA ALA 5 HA ALA 5 15.815 -4.332 6.220
41 HB1 ALA 5 HB1 ALA 5 13.676 -6.098 5.152
42 HB2 ALA 5 HB2 ALA 5 14.641 -6.763 6.468
43 HB3 ALA 5 HB3 ALA 5 15.426 -6.229 4.982
44 H ILE 6 HN ILE 6 13.831 -2.411 7.077
45 HA ILE 6 HA ILE 6 12.059 -1.990 4.734
46 HB ILE 6 HB ILE 6 12.425 -0.786 7.482
47 HG12 ILE 6 HG12 ILE 6 9.810 -1.426 7.234
48 HG13 ILE 6 HG11 ILE 6 10.504 -2.584 6.099
49 HG21 ILE 6 HG21 ILE 6 10.708 0.231 5.205
50 HG22 ILE 6 HG22 ILE 6 11.940 1.122 6.098
51 HG23 ILE 6 HG23 ILE 6 10.434 0.664 6.892
52 HD11 ILE 6 HD11 ILE 6 10.800 -3.849 7.976
53 HD12 ILE 6 HD12 ILE 6 10.755 -2.448 9.046
54 HD13 ILE 6 HD13 ILE 6 12.237 -2.845 8.177
55 H TRP 7 HN TRP 7 14.868 -0.560 6.350
56 HA TRP 7 HA TRP 7 14.987 1.841 4.758
57 HB2 TRP 7 HB2 TRP 7 17.213 0.370 6.204
58 HB3 TRP 7 HB1 TRP 7 17.166 2.085 5.808
59 HD1 TRP 7 HD1 TRP 7 15.959 -0.436 8.324
60 HE1 TRP 7 HE1 TRP 7 14.681 0.766 10.210
61 HE3 TRP 7 HE3 TRP 7 15.568 4.230 6.290
62 HZ2 TRP 7 HZ2 TRP 7 13.628 3.359 10.782
63 HZ3 TRP 7 HZ3 TRP 7 14.421 6.046 7.526
64 HH2 TRP 7 HH2 TRP 7 13.451 5.618 9.767
65 HA PRO 8 HA PRO 8 18.256 -0.589 2.192
66 HB2 PRO 8 HB2 PRO 8 18.069 -3.340 2.281
67 HB3 PRO 8 HB1 PRO 8 19.192 -2.390 3.275
68 HG2 PRO 8 HG2 PRO 8 16.594 -3.622 4.005
69 HG3 PRO 8 HG1 PRO 8 18.063 -3.419 4.971
70 HD2 PRO 8 HD2 PRO 8 15.846 -1.861 5.242
71 HD3 PRO 8 HD1 PRO 8 17.488 -1.314 5.636
72 H LEU 9 HN LEU 9 15.000 -1.773 2.719
73 HA LEU 9 HA LEU 9 14.451 -3.014 0.222
74 HB2 LEU 9 HB2 LEU 9 13.012 -3.014 2.249
75 HB3 LEU 9 HB1 LEU 9 12.670 -1.301 1.991
76 HG LEU 9 HG LEU 9 11.787 -1.917 -0.296
77 HD11 LEU 9 HD11 LEU 9 12.512 -4.610 0.774
78 HD12 LEU 9 HD12 LEU 9 12.591 -4.000 -0.880
79 HD13 LEU 9 HD13 LEU 9 11.040 -4.483 -0.191
80 HD21 LEU 9 HD21 LEU 9 10.586 -2.704 2.318
81 HD22 LEU 9 HD22 LEU 9 9.766 -3.267 0.861
82 HD23 LEU 9 HD23 LEU 9 10.012 -1.540 1.123
83 H ALA 10 HN ALA 10 14.391 0.419 1.166
84 HA ALA 10 HA ALA 10 13.301 1.375 -1.348
85 HB1 ALA 10 HB1 ALA 10 13.372 3.386 -0.244
86 HB2 ALA 10 HB2 ALA 10 15.017 3.121 0.334
87 HB3 ALA 10 HB3 ALA 10 13.659 2.360 1.161
88 H LEU 11 HN LEU 11 16.593 1.028 -0.026
89 HA LEU 11 HA LEU 11 17.990 2.339 -2.154
90 HB2 LEU 11 HB2 LEU 11 18.538 0.493 0.103
91 HB3 LEU 11 HB1 LEU 11 19.737 0.478 -1.191
92 HG LEU 11 HG LEU 11 20.292 2.148 0.556
93 HD11 LEU 11 HD11 LEU 11 19.841 4.165 -1.337
94 HD12 LEU 11 HD12 LEU 11 19.937 2.681 -2.283
95 HD13 LEU 11 HD13 LEU 11 21.268 3.136 -1.220
96 HD21 LEU 11 HD21 LEU 11 17.918 2.638 1.186
97 HD22 LEU 11 HD22 LEU 11 17.731 3.514 -0.334
98 HD23 LEU 11 HD23 LEU 11 18.862 4.098 0.887
99 H GLY 12 HN GLY 12 16.636 -0.891 -1.852
100 HA2 GLY 12 HA2 GLY 12 18.117 -2.191 -3.915
101 HA3 GLY 12 HA1 GLY 12 16.496 -2.654 -3.394
102 H ALA 13 HN ALA 13 15.205 -0.168 -4.011
103 HA ALA 13 HA ALA 13 14.791 -0.548 -6.883
104 HB1 ALA 13 HB1 ALA 13 13.104 -0.001 -4.999
105 HB2 ALA 13 HB2 ALA 13 12.931 0.885 -6.514
106 HB3 ALA 13 HB3 ALA 13 13.699 1.655 -5.126
107 H LEU 14 HN LEU 14 16.607 1.644 -4.845
108 HA LEU 14 HA LEU 14 16.863 3.876 -6.613
109 HB2 LEU 14 HB2 LEU 14 17.634 3.226 -4.090
110 HB3 LEU 14 HB1 LEU 14 19.175 3.062 -4.932
111 HG LEU 14 HG LEU 14 17.386 5.500 -5.128
112 HD11 LEU 14 HD11 LEU 14 19.253 6.543 -3.737
113 HD12 LEU 14 HD12 LEU 14 19.796 4.899 -3.397
114 HD13 LEU 14 HD13 LEU 14 18.195 5.425 -2.875
115 HD21 LEU 14 HD21 LEU 14 19.314 6.522 -6.205
116 HD22 LEU 14 HD22 LEU 14 18.933 5.021 -7.048
117 HD23 LEU 14 HD23 LEU 14 20.285 5.078 -5.917
118 H LYS 15 HN LYS 15 19.116 1.128 -6.098
119 HA LYS 15 HA LYS 15 20.902 1.799 -8.229
120 HB2 LYS 15 HB2 LYS 15 21.645 -0.552 -7.911
121 HB3 LYS 15 HB1 LYS 15 21.409 0.267 -6.367
122 HG2 LYS 15 HG2 LYS 15 20.181 -1.594 -5.871
123 HG3 LYS 15 HG1 LYS 15 18.917 -0.742 -6.759
124 HD2 LYS 15 HD2 LYS 15 19.072 -2.122 -8.578
125 HD3 LYS 15 HD1 LYS 15 20.816 -2.323 -8.403
126 HE2 LYS 15 HE2 LYS 15 20.366 -3.777 -6.378
127 HE3 LYS 15 HE1 LYS 15 18.645 -3.716 -6.805
128 HZ1 LYS 15 HZ1 LYS 15 20.816 -4.544 -8.656
129 HZ2 LYS 15 HZ2 LYS 15 19.149 -4.558 -8.984
130 HZ3 LYS 15 HZ3 LYS 15 19.800 -5.621 -7.829
131 H ASN 16 HN ASN 16 17.818 0.117 -8.193
132 HA ASN 16 HA ASN 16 17.986 -1.271 -10.680
133 HB2 ASN 16 HB2 ASN 16 15.936 -0.307 -8.779
134 HB3 ASN 16 HB1 ASN 16 15.353 -0.556 -10.424
135 HD21 ASN 16 HD21 ASN 16 16.993 -2.217 -7.710
136 HD22 ASN 16 HD22 ASN 16 16.585 -3.785 -8.215
137 H LEU 17 HN LEU 17 17.737 2.122 -9.989
138 HA LEU 17 HA LEU 17 16.571 2.850 -12.589
139 HB2 LEU 17 HB2 LEU 17 17.918 4.540 -10.455
140 HB3 LEU 17 HB1 LEU 17 16.824 5.112 -11.713
141 HG LEU 17 HG LEU 17 16.053 3.108 -9.576
142 HD11 LEU 17 HD11 LEU 17 15.490 6.083 -9.776
143 HD12 LEU 17 HD12 LEU 17 16.524 5.304 -8.578
144 HD13 LEU 17 HD13 LEU 17 14.789 4.994 -8.578
145 HD21 LEU 17 HD21 LEU 17 14.388 4.719 -11.538
146 HD22 LEU 17 HD22 LEU 17 13.775 3.549 -10.369
147 HD23 LEU 17 HD23 LEU 17 14.778 3.008 -11.715
148 H ILE 18 HN ILE 18 19.641 3.819 -11.017
149 HA ILE 18 HA ILE 18 20.886 4.384 -13.601
150 HB ILE 18 HB ILE 18 22.756 5.069 -12.177
151 HG12 ILE 18 HG12 ILE 18 21.195 3.756 -9.925
152 HG13 ILE 18 HG11 ILE 18 22.701 3.151 -10.614
153 HG21 ILE 18 HG21 ILE 18 21.650 6.785 -10.941
154 HG22 ILE 18 HG22 ILE 18 20.204 5.798 -10.731
155 HG23 ILE 18 HG23 ILE 18 20.607 6.443 -12.322
156 HD11 ILE 18 HD11 ILE 18 22.964 5.942 -9.857
157 HD12 ILE 18 HD12 ILE 18 23.926 4.555 -9.349
158 HD13 ILE 18 HD13 ILE 18 22.444 4.963 -8.486
159 H LYS 19 HN LYS 19 21.103 1.821 -11.153
160 HA LYS 19 HA LYS 19 23.102 0.383 -12.845
161 HB2 LYS 19 HB2 LYS 19 22.196 0.189 -9.960
162 HB3 LYS 19 HB1 LYS 19 23.302 -0.974 -10.692
163 HG2 LYS 19 HG2 LYS 19 24.387 1.480 -11.415
164 HG3 LYS 19 HG1 LYS 19 23.819 1.757 -9.769
165 HD2 LYS 19 HD2 LYS 19 25.039 -0.804 -9.773
166 HD3 LYS 19 HD1 LYS 19 26.128 0.273 -10.647
167 HE2 LYS 19 HE2 LYS 19 26.808 0.610 -8.421
168 HE3 LYS 19 HE1 LYS 19 25.623 1.917 -8.626
169 HZ1 LYS 19 HZ1 LYS 19 25.017 0.725 -6.674
170 HZ2 LYS 19 HZ2 LYS 19 25.155 -0.774 -7.461
171 HZ3 LYS 19 HZ3 LYS 19 23.902 0.295 -7.878
172 HN1 NH2 20 H1 NH2 20 21.347 -0.337 -14.402
173 HN2 NH2 20 H2 NH2 20 20.312 -1.607 -13.957
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 17.641 -2.127 14.167
2 H2 LYS 1 HT2 LYS 1 16.661 -0.797 13.769
3 H3 LYS 1 HT3 LYS 1 16.037 -2.374 13.674
4 HA LYS 1 HA LYS 1 16.463 -2.558 16.151
5 HB2 LYS 1 HB2 LYS 1 18.006 -0.465 15.788
6 HB3 LYS 1 HB1 LYS 1 16.508 0.447 15.975
7 HG2 LYS 1 HG2 LYS 1 17.086 0.339 18.193
8 HG3 LYS 1 HG1 LYS 1 16.262 -1.217 18.081
9 HD2 LYS 1 HD2 LYS 1 19.158 -1.124 17.354
10 HD3 LYS 1 HD1 LYS 1 18.735 -1.030 19.064
11 HE2 LYS 1 HE2 LYS 1 17.105 -3.078 18.208
12 HE3 LYS 1 HE1 LYS 1 18.563 -3.328 17.227
13 HZ1 LYS 1 HZ1 LYS 1 19.897 -3.084 19.246
14 HZ2 LYS 1 HZ2 LYS 1 18.817 -4.390 19.376
15 HZ3 LYS 1 HZ3 LYS 1 18.486 -2.926 20.172
16 H ILE 2 HN ILE 2 14.807 -0.148 14.120
17 HA ILE 2 HA ILE 2 12.292 -0.661 15.671
18 HB ILE 2 HB ILE 2 13.151 1.642 15.743
19 HG12 ILE 2 HG12 ILE 2 10.770 1.450 13.871
20 HG13 ILE 2 HG11 ILE 2 10.680 1.222 15.617
21 HG21 ILE 2 HG21 ILE 2 13.437 1.150 12.830
22 HG22 ILE 2 HG22 ILE 2 14.411 2.151 13.904
23 HG23 ILE 2 HG23 ILE 2 12.875 2.758 13.285
24 HD11 ILE 2 HD11 ILE 2 11.638 3.732 14.207
25 HD12 ILE 2 HD12 ILE 2 11.581 3.502 15.955
26 HD13 ILE 2 HD13 ILE 2 10.085 3.534 15.021
27 H PHE 3 HN PHE 3 13.841 -0.985 12.592
28 HA PHE 3 HA PHE 3 11.269 -1.967 11.424
29 HB2 PHE 3 HB2 PHE 3 13.181 0.136 10.445
30 HB3 PHE 3 HB1 PHE 3 12.278 -0.820 9.272
31 HD1 PHE 3 HD1 PHE 3 12.203 2.207 10.846
32 HD2 PHE 3 HD2 PHE 3 9.678 -1.218 10.255
33 HE1 PHE 3 HE1 PHE 3 10.199 3.616 11.239
34 HE2 PHE 3 HE2 PHE 3 7.675 0.190 10.648
35 HZ PHE 3 HZ PHE 3 7.936 2.608 11.140
36 H GLY 4 HN GLY 4 11.555 -3.700 9.943
37 HA2 GLY 4 HA2 GLY 4 14.023 -5.217 10.253
38 HA3 GLY 4 HA1 GLY 4 12.624 -5.704 9.297
39 H ALA 5 HN ALA 5 12.967 -5.745 7.138
40 HA ALA 5 HA ALA 5 15.385 -4.498 6.005
41 HB1 ALA 5 HB1 ALA 5 13.277 -6.464 5.222
42 HB2 ALA 5 HB2 ALA 5 15.032 -6.602 5.114
43 HB3 ALA 5 HB3 ALA 5 14.147 -5.649 3.922
44 H ILE 6 HN ILE 6 13.817 -2.424 6.853
45 HA ILE 6 HA ILE 6 12.141 -1.495 4.584
46 HB ILE 6 HB ILE 6 12.730 -0.571 7.407
47 HG12 ILE 6 HG12 ILE 6 10.142 -0.872 7.431
48 HG13 ILE 6 HG11 ILE 6 10.391 -1.785 5.942
49 HG21 ILE 6 HG21 ILE 6 11.388 0.874 5.148
50 HG22 ILE 6 HG22 ILE 6 12.426 1.512 6.423
51 HG23 ILE 6 HG23 ILE 6 10.757 1.071 6.782
52 HD11 ILE 6 HD11 ILE 6 10.555 -2.850 8.469
53 HD12 ILE 6 HD12 ILE 6 12.248 -2.507 8.110
54 HD13 ILE 6 HD13 ILE 6 11.311 -3.547 7.037
55 H TRP 7 HN TRP 7 15.075 -0.563 6.382
56 HA TRP 7 HA TRP 7 15.621 1.838 4.911
57 HB2 TRP 7 HB2 TRP 7 17.530 -0.046 6.331
58 HB3 TRP 7 HB1 TRP 7 17.803 1.660 5.994
59 HD1 TRP 7 HD1 TRP 7 16.192 -0.665 8.438
60 HE1 TRP 7 HE1 TRP 7 15.045 0.687 10.308
61 HE3 TRP 7 HE3 TRP 7 16.459 4.021 6.429
62 HZ2 TRP 7 HZ2 TRP 7 14.329 3.395 10.876
63 HZ3 TRP 7 HZ3 TRP 7 15.537 5.967 7.654
64 HH2 TRP 7 HH2 TRP 7 14.474 5.662 9.874
65 HA PRO 8 HA PRO 8 18.586 -0.911 2.286
66 HB2 PRO 8 HB2 PRO 8 17.930 -3.597 2.179
67 HB3 PRO 8 HB1 PRO 8 19.177 -2.914 3.241
68 HG2 PRO 8 HG2 PRO 8 16.397 -3.734 3.869
69 HG3 PRO 8 HG1 PRO 8 17.860 -3.834 4.861
70 HD2 PRO 8 HD2 PRO 8 15.931 -1.954 5.216
71 HD3 PRO 8 HD1 PRO 8 17.638 -1.700 5.637
72 H LEU 9 HN LEU 9 15.166 -1.669 2.629
73 HA LEU 9 HA LEU 9 14.600 -2.547 -0.030
74 HB2 LEU 9 HB2 LEU 9 13.101 -2.705 1.944
75 HB3 LEU 9 HB1 LEU 9 12.914 -0.950 1.928
76 HG LEU 9 HG LEU 9 12.128 -1.234 -0.510
77 HD11 LEU 9 HD11 LEU 9 11.636 -3.330 -1.327
78 HD12 LEU 9 HD12 LEU 9 11.293 -3.988 0.273
79 HD13 LEU 9 HD13 LEU 9 12.963 -3.774 -0.253
80 HD21 LEU 9 HD21 LEU 9 10.266 -2.574 1.436
81 HD22 LEU 9 HD22 LEU 9 9.905 -1.356 0.213
82 HD23 LEU 9 HD23 LEU 9 10.739 -0.895 1.696
83 H ALA 10 HN ALA 10 14.739 0.718 1.390
84 HA ALA 10 HA ALA 10 13.810 2.123 -0.950
85 HB1 ALA 10 HB1 ALA 10 15.117 2.694 1.657
86 HB2 ALA 10 HB2 ALA 10 13.692 3.436 0.931
87 HB3 ALA 10 HB3 ALA 10 15.304 3.930 0.414
88 H LEU 11 HN LEU 11 16.859 0.672 -0.132
89 HA LEU 11 HA LEU 11 18.374 2.307 -2.080
90 HB2 LEU 11 HB2 LEU 11 19.608 1.877 -0.147
91 HB3 LEU 11 HB1 LEU 11 18.907 0.276 0.065
92 HG LEU 11 HG LEU 11 20.213 -0.564 -1.840
93 HD11 LEU 11 HD11 LEU 11 20.918 0.921 -3.386
94 HD12 LEU 11 HD12 LEU 11 22.132 1.465 -2.230
95 HD13 LEU 11 HD13 LEU 11 20.568 2.275 -2.313
96 HD21 LEU 11 HD21 LEU 11 21.621 0.841 0.421
97 HD22 LEU 11 HD22 LEU 11 22.554 -0.029 -0.798
98 HD23 LEU 11 HD23 LEU 11 21.364 -0.888 0.182
99 H GLY 12 HN GLY 12 16.830 -0.831 -1.807
100 HA2 GLY 12 HA2 GLY 12 18.224 -2.118 -3.978
101 HA3 GLY 12 HA1 GLY 12 16.670 -2.627 -3.315
102 H ALA 13 HN ALA 13 15.524 0.107 -3.806
103 HA ALA 13 HA ALA 13 14.675 -0.381 -6.582
104 HB1 ALA 13 HB1 ALA 13 13.966 1.679 -4.468
105 HB2 ALA 13 HB2 ALA 13 13.067 0.209 -4.843
106 HB3 ALA 13 HB3 ALA 13 13.137 1.523 -6.017
107 H LEU 14 HN LEU 14 16.692 1.914 -4.811
108 HA LEU 14 HA LEU 14 16.891 3.949 -6.819
109 HB2 LEU 14 HB2 LEU 14 18.192 3.113 -4.324
110 HB3 LEU 14 HB1 LEU 14 19.301 3.912 -5.439
111 HG LEU 14 HG LEU 14 17.538 5.735 -5.693
112 HD11 LEU 14 HD11 LEU 14 16.426 4.886 -3.063
113 HD12 LEU 14 HD12 LEU 14 15.867 4.007 -4.485
114 HD13 LEU 14 HD13 LEU 14 15.648 5.754 -4.386
115 HD21 LEU 14 HD21 LEU 14 18.436 5.490 -2.827
116 HD22 LEU 14 HD22 LEU 14 18.395 6.923 -3.854
117 HD23 LEU 14 HD23 LEU 14 19.623 5.686 -4.116
118 H LYS 15 HN LYS 15 18.932 1.086 -6.155
119 HA LYS 15 HA LYS 15 20.812 1.568 -8.282
120 HB2 LYS 15 HB2 LYS 15 21.420 -0.800 -7.821
121 HB3 LYS 15 HB1 LYS 15 21.229 0.126 -6.333
122 HG2 LYS 15 HG2 LYS 15 19.850 -1.559 -5.691
123 HG3 LYS 15 HG1 LYS 15 18.670 -0.793 -6.754
124 HD2 LYS 15 HD2 LYS 15 18.690 -2.575 -8.127
125 HD3 LYS 15 HD1 LYS 15 20.437 -2.436 -8.330
126 HE2 LYS 15 HE2 LYS 15 20.238 -4.567 -7.356
127 HE3 LYS 15 HE1 LYS 15 20.495 -3.551 -5.924
128 HZ1 LYS 15 HZ1 LYS 15 17.913 -4.503 -7.032
129 HZ2 LYS 15 HZ2 LYS 15 18.017 -3.257 -5.882
130 HZ3 LYS 15 HZ3 LYS 15 18.559 -4.821 -5.497
131 H ASN 16 HN ASN 16 17.631 0.080 -8.194
132 HA ASN 16 HA ASN 16 17.768 -1.459 -10.602
133 HB2 ASN 16 HB2 ASN 16 15.750 -0.331 -8.761
134 HB3 ASN 16 HB1 ASN 16 15.162 -0.619 -10.399
135 HD21 ASN 16 HD21 ASN 16 16.784 -2.248 -7.648
136 HD22 ASN 16 HD22 ASN 16 16.286 -3.813 -8.079
137 H LEU 17 HN LEU 17 17.555 1.982 -10.074
138 HA LEU 17 HA LEU 17 16.648 2.485 -12.861
139 HB2 LEU 17 HB2 LEU 17 17.308 4.384 -10.587
140 HB3 LEU 17 HB1 LEU 17 16.425 4.782 -12.060
141 HG LEU 17 HG LEU 17 15.522 2.759 -9.990
142 HD11 LEU 17 HD11 LEU 17 15.197 4.822 -8.933
143 HD12 LEU 17 HD12 LEU 17 13.664 4.598 -9.776
144 HD13 LEU 17 HD13 LEU 17 14.895 5.664 -10.452
145 HD21 LEU 17 HD21 LEU 17 14.517 2.074 -11.986
146 HD22 LEU 17 HD22 LEU 17 14.452 3.715 -12.632
147 HD23 LEU 17 HD23 LEU 17 13.323 3.218 -11.372
148 H ILE 18 HN ILE 18 19.224 3.850 -10.774
149 HA ILE 18 HA ILE 18 20.825 4.714 -13.024
150 HB ILE 18 HB ILE 18 22.435 5.271 -11.244
151 HG12 ILE 18 HG12 ILE 18 20.568 3.760 -9.390
152 HG13 ILE 18 HG11 ILE 18 22.116 3.136 -9.961
153 HG21 ILE 18 HG21 ILE 18 20.004 6.378 -11.574
154 HG22 ILE 18 HG22 ILE 18 21.142 6.942 -10.351
155 HG23 ILE 18 HG23 ILE 18 19.841 5.840 -9.902
156 HD11 ILE 18 HD11 ILE 18 21.799 5.754 -8.467
157 HD12 ILE 18 HD12 ILE 18 23.311 4.955 -8.900
158 HD13 ILE 18 HD13 ILE 18 22.242 4.229 -7.699
159 H LYS 19 HN LYS 19 20.706 1.778 -11.088
160 HA LYS 19 HA LYS 19 23.046 0.709 -12.636
161 HB2 LYS 19 HB2 LYS 19 22.057 0.389 -9.810
162 HB3 LYS 19 HB1 LYS 19 23.067 -0.862 -10.534
163 HG2 LYS 19 HG2 LYS 19 23.997 1.940 -10.874
164 HG3 LYS 19 HG1 LYS 19 24.096 1.275 -9.243
165 HD2 LYS 19 HD2 LYS 19 25.400 -0.617 -10.041
166 HD3 LYS 19 HD1 LYS 19 25.207 -0.089 -11.713
167 HE2 LYS 19 HE2 LYS 19 26.273 2.165 -10.758
168 HE3 LYS 19 HE1 LYS 19 26.954 1.045 -9.563
169 HZ1 LYS 19 HZ1 LYS 19 27.835 -0.314 -11.279
170 HZ2 LYS 19 HZ2 LYS 19 28.297 1.280 -11.643
171 HZ3 LYS 19 HZ3 LYS 19 27.016 0.549 -12.488
172 HN1 NH2 20 H1 NH2 20 20.020 0.640 -13.271
173 HN2 NH2 20 H2 NH2 20 19.663 -1.011 -13.438
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 14.736 0.457 17.421
2 H2 LYS 1 HT2 LYS 1 13.709 -0.886 17.590
3 H3 LYS 1 HT3 LYS 1 13.061 0.685 17.558
4 HA LYS 1 HA LYS 1 13.727 0.962 15.253
5 HB2 LYS 1 HB2 LYS 1 14.989 -1.701 15.912
6 HB3 LYS 1 HB1 LYS 1 14.681 -1.234 14.240
7 HG2 LYS 1 HG2 LYS 1 16.302 0.384 14.250
8 HG3 LYS 1 HG1 LYS 1 16.011 0.808 15.937
9 HD2 LYS 1 HD2 LYS 1 16.977 -1.808 16.062
10 HD3 LYS 1 HD1 LYS 1 17.959 -1.049 14.808
11 HE2 LYS 1 HE2 LYS 1 17.470 0.356 17.440
12 HE3 LYS 1 HE1 LYS 1 18.792 -0.813 17.251
13 HZ1 LYS 1 HZ1 LYS 1 19.514 1.428 16.659
14 HZ2 LYS 1 HZ2 LYS 1 18.291 1.525 15.484
15 HZ3 LYS 1 HZ3 LYS 1 19.553 0.402 15.310
16 H ILE 2 HN ILE 2 11.433 1.040 15.083
17 HA ILE 2 HA ILE 2 9.688 -1.213 15.449
18 HB ILE 2 HB ILE 2 8.977 1.133 15.526
19 HG12 ILE 2 HG12 ILE 2 7.717 -0.247 13.137
20 HG13 ILE 2 HG11 ILE 2 7.358 -0.655 14.815
21 HG21 ILE 2 HG21 ILE 2 10.269 1.156 12.873
22 HG22 ILE 2 HG22 ILE 2 10.049 2.468 14.029
23 HG23 ILE 2 HG23 ILE 2 8.733 2.018 12.944
24 HD11 ILE 2 HD11 ILE 2 5.727 0.918 14.623
25 HD12 ILE 2 HD12 ILE 2 6.485 1.667 13.218
26 HD13 ILE 2 HD13 ILE 2 7.045 2.070 14.842
27 H PHE 3 HN PHE 3 11.760 -0.269 12.814
28 HA PHE 3 HA PHE 3 10.431 -2.284 11.032
29 HB2 PHE 3 HB2 PHE 3 12.218 0.091 10.394
30 HB3 PHE 3 HB1 PHE 3 11.449 -0.960 9.205
31 HD1 PHE 3 HD1 PHE 3 8.774 -1.367 9.996
32 HD2 PHE 3 HD2 PHE 3 11.165 2.162 10.537
33 HE1 PHE 3 HE1 PHE 3 6.715 0.012 10.106
34 HE2 PHE 3 HE2 PHE 3 9.105 3.540 10.647
35 HZ PHE 3 HZ PHE 3 6.881 2.465 10.431
36 H GLY 4 HN GLY 4 12.602 -2.572 9.246
37 HA2 GLY 4 HA2 GLY 4 15.118 -3.089 10.473
38 HA3 GLY 4 HA1 GLY 4 14.169 -4.575 10.520
39 H ALA 5 HN ALA 5 12.780 -4.337 8.090
40 HA ALA 5 HA ALA 5 15.033 -4.641 6.140
41 HB1 ALA 5 HB1 ALA 5 13.182 -6.436 6.944
42 HB2 ALA 5 HB2 ALA 5 13.866 -6.448 5.318
43 HB3 ALA 5 HB3 ALA 5 12.298 -5.695 5.611
44 H ILE 6 HN ILE 6 13.339 -2.145 6.930
45 HA ILE 6 HA ILE 6 11.958 -1.556 4.380
46 HB ILE 6 HB ILE 6 11.232 0.444 5.589
47 HG12 ILE 6 HG12 ILE 6 12.926 -0.474 7.919
48 HG13 ILE 6 HG11 ILE 6 13.485 0.737 6.763
49 HG21 ILE 6 HG21 ILE 6 11.199 -1.996 7.387
50 HG22 ILE 6 HG22 ILE 6 10.091 -1.713 6.045
51 HG23 ILE 6 HG23 ILE 6 10.066 -0.645 7.450
52 HD11 ILE 6 HD11 ILE 6 11.919 2.307 7.432
53 HD12 ILE 6 HD12 ILE 6 12.194 1.470 8.961
54 HD13 ILE 6 HD13 ILE 6 10.776 1.083 7.985
55 H TRP 7 HN TRP 7 14.935 -0.819 6.049
56 HA TRP 7 HA TRP 7 15.626 1.425 4.279
57 HB2 TRP 7 HB2 TRP 7 17.440 -0.027 6.217
58 HB3 TRP 7 HB1 TRP 7 17.488 1.667 5.735
59 HD1 TRP 7 HD1 TRP 7 15.841 -0.705 8.159
60 HE1 TRP 7 HE1 TRP 7 14.297 0.612 9.744
61 HE3 TRP 7 HE3 TRP 7 15.894 3.857 5.857
62 HZ2 TRP 7 HZ2 TRP 7 13.214 3.237 9.993
63 HZ3 TRP 7 HZ3 TRP 7 14.592 5.747 6.793
64 HH2 TRP 7 HH2 TRP 7 13.256 5.445 8.859
65 HA PRO 8 HA PRO 8 18.748 -1.956 2.788
66 HB2 PRO 8 HB2 PRO 8 17.358 -4.486 3.360
67 HB3 PRO 8 HB1 PRO 8 19.033 -4.028 3.714
68 HG2 PRO 8 HG2 PRO 8 17.143 -4.316 5.625
69 HG3 PRO 8 HG1 PRO 8 18.517 -3.210 5.771
70 HD2 PRO 8 HD2 PRO 8 15.669 -2.612 5.165
71 HD3 PRO 8 HD1 PRO 8 16.861 -1.660 6.071
72 H LEU 9 HN LEU 9 15.264 -2.124 2.691
73 HA LEU 9 HA LEU 9 15.148 -3.455 0.068
74 HB2 LEU 9 HB2 LEU 9 13.368 -2.577 2.229
75 HB3 LEU 9 HB1 LEU 9 12.685 -2.290 0.628
76 HG LEU 9 HG LEU 9 13.921 -4.940 1.394
77 HD11 LEU 9 HD11 LEU 9 12.181 -5.113 2.857
78 HD12 LEU 9 HD12 LEU 9 11.230 -5.397 1.398
79 HD13 LEU 9 HD13 LEU 9 11.293 -3.785 2.110
80 HD21 LEU 9 HD21 LEU 9 12.991 -5.724 -0.593
81 HD22 LEU 9 HD22 LEU 9 13.388 -4.066 -1.046
82 HD23 LEU 9 HD23 LEU 9 11.733 -4.489 -0.610
83 H ALA 10 HN ALA 10 15.304 -0.188 1.314
84 HA ALA 10 HA ALA 10 14.326 1.075 -1.148
85 HB1 ALA 10 HB1 ALA 10 14.787 3.110 0.081
86 HB2 ALA 10 HB2 ALA 10 15.840 2.249 1.203
87 HB3 ALA 10 HB3 ALA 10 14.103 1.949 1.219
88 H LEU 11 HN LEU 11 17.456 0.323 0.340
89 HA LEU 11 HA LEU 11 19.136 1.882 -1.364
90 HB2 LEU 11 HB2 LEU 11 19.320 -0.419 0.489
91 HB3 LEU 11 HB1 LEU 11 20.613 -0.331 -0.708
92 HG LEU 11 HG LEU 11 21.197 0.898 1.363
93 HD11 LEU 11 HD11 LEU 11 20.737 3.069 -0.632
94 HD12 LEU 11 HD12 LEU 11 21.678 1.672 -1.157
95 HD13 LEU 11 HD13 LEU 11 22.212 2.626 0.226
96 HD21 LEU 11 HD21 LEU 11 18.710 1.532 1.746
97 HD22 LEU 11 HD22 LEU 11 19.032 2.877 0.651
98 HD23 LEU 11 HD23 LEU 11 19.936 2.732 2.158
99 H GLY 12 HN GLY 12 17.893 -1.447 -1.698
100 HA2 GLY 12 HA2 GLY 12 19.316 -2.043 -4.123
101 HA3 GLY 12 HA1 GLY 12 17.884 -2.896 -3.547
102 H ALA 13 HN ALA 13 16.290 -0.394 -3.444
103 HA ALA 13 HA ALA 13 15.251 -0.456 -6.148
104 HB1 ALA 13 HB1 ALA 13 14.637 1.736 -4.203
105 HB2 ALA 13 HB2 ALA 13 14.230 0.083 -3.742
106 HB3 ALA 13 HB3 ALA 13 13.535 0.788 -5.201
107 H LEU 14 HN LEU 14 17.551 1.578 -4.446
108 HA LEU 14 HA LEU 14 17.471 3.905 -6.098
109 HB2 LEU 14 HB2 LEU 14 18.617 3.656 -3.902
110 HB3 LEU 14 HB1 LEU 14 19.802 2.593 -4.660
111 HG LEU 14 HG LEU 14 20.107 4.597 -6.337
112 HD11 LEU 14 HD11 LEU 14 19.804 6.782 -5.125
113 HD12 LEU 14 HD12 LEU 14 18.906 5.910 -3.882
114 HD13 LEU 14 HD13 LEU 14 18.287 5.980 -5.532
115 HD21 LEU 14 HD21 LEU 14 21.275 5.374 -3.745
116 HD22 LEU 14 HD22 LEU 14 22.078 4.916 -5.247
117 HD23 LEU 14 HD23 LEU 14 21.497 3.669 -4.143
118 H LYS 15 HN LYS 15 19.910 1.274 -6.218
119 HA LYS 15 HA LYS 15 21.020 2.024 -8.735
120 HB2 LYS 15 HB2 LYS 15 21.961 -0.279 -8.643
121 HB3 LYS 15 HB1 LYS 15 22.095 0.548 -7.091
122 HG2 LYS 15 HG2 LYS 15 21.026 -1.199 -6.156
123 HG3 LYS 15 HG1 LYS 15 19.578 -0.697 -7.027
124 HD2 LYS 15 HD2 LYS 15 19.720 -2.437 -8.461
125 HD3 LYS 15 HD1 LYS 15 21.438 -2.158 -8.744
126 HE2 LYS 15 HE2 LYS 15 20.436 -3.442 -6.189
127 HE3 LYS 15 HE1 LYS 15 20.850 -4.393 -7.629
128 HZ1 LYS 15 HZ1 LYS 15 22.641 -2.379 -6.379
129 HZ2 LYS 15 HZ2 LYS 15 23.022 -3.415 -7.670
130 HZ3 LYS 15 HZ3 LYS 15 22.761 -4.049 -6.115
131 H ASN 16 HN ASN 16 18.102 0.267 -7.947
132 HA ASN 16 HA ASN 16 17.724 -1.209 -10.361
133 HB2 ASN 16 HB2 ASN 16 16.168 -0.237 -8.052
134 HB3 ASN 16 HB1 ASN 16 15.205 -0.486 -9.508
135 HD21 ASN 16 HD21 ASN 16 17.848 -2.212 -7.738
136 HD22 ASN 16 HD22 ASN 16 17.162 -3.753 -7.932
137 H LEU 17 HN LEU 17 17.273 2.196 -9.603
138 HA LEU 17 HA LEU 17 15.814 2.713 -12.129
139 HB2 LEU 17 HB2 LEU 17 16.850 4.592 -9.980
140 HB3 LEU 17 HB1 LEU 17 15.639 4.969 -11.206
141 HG LEU 17 HG LEU 17 15.340 2.843 -9.065
142 HD11 LEU 17 HD11 LEU 17 13.647 5.302 -9.199
143 HD12 LEU 17 HD12 LEU 17 15.278 5.463 -8.549
144 HD13 LEU 17 HD13 LEU 17 14.136 4.352 -7.796
145 HD21 LEU 17 HD21 LEU 17 12.853 3.266 -9.942
146 HD22 LEU 17 HD22 LEU 17 13.920 2.112 -10.742
147 HD23 LEU 17 HD23 LEU 17 13.710 3.730 -11.412
148 H ILE 18 HN ILE 18 18.691 4.201 -10.596
149 HA ILE 18 HA ILE 18 19.740 5.353 -12.977
150 HB ILE 18 HB ILE 18 21.801 5.536 -11.609
151 HG12 ILE 18 HG12 ILE 18 20.328 3.757 -9.638
152 HG13 ILE 18 HG11 ILE 18 21.662 3.221 -10.659
153 HG21 ILE 18 HG21 ILE 18 20.408 7.241 -10.945
154 HG22 ILE 18 HG22 ILE 18 20.464 6.345 -9.427
155 HG23 ILE 18 HG23 ILE 18 19.094 6.146 -10.519
156 HD11 ILE 18 HD11 ILE 18 22.808 5.405 -9.579
157 HD12 ILE 18 HD12 ILE 18 22.893 3.819 -8.814
158 HD13 ILE 18 HD13 ILE 18 21.698 4.997 -8.271
159 H LYS 19 HN LYS 19 20.003 2.104 -11.664
160 HA LYS 19 HA LYS 19 21.637 1.330 -14.056
161 HB2 LYS 19 HB2 LYS 19 21.933 0.672 -11.122
162 HB3 LYS 19 HB1 LYS 19 22.650 -0.354 -12.365
163 HG2 LYS 19 HG2 LYS 19 23.129 2.632 -12.187
164 HG3 LYS 19 HG1 LYS 19 24.202 1.429 -11.470
165 HD2 LYS 19 HD2 LYS 19 24.268 0.358 -13.817
166 HD3 LYS 19 HD1 LYS 19 23.583 1.880 -14.390
167 HE2 LYS 19 HE2 LYS 19 26.028 1.902 -12.620
168 HE3 LYS 19 HE1 LYS 19 26.183 1.652 -14.371
169 HZ1 LYS 19 HZ1 LYS 19 26.231 3.992 -13.962
170 HZ2 LYS 19 HZ2 LYS 19 24.834 3.915 -12.998
171 HZ3 LYS 19 HZ3 LYS 19 24.733 3.627 -14.670
172 HN1 NH2 20 H1 NH2 20 18.740 1.114 -13.882
173 HN2 NH2 20 H2 NH2 20 18.341 -0.535 -13.810
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 15.958 -5.380 13.923
2 H2 LYS 1 HT2 LYS 1 15.493 -7.001 14.134
3 H3 LYS 1 HT3 LYS 1 15.249 -5.875 15.382
4 HA LYS 1 HA LYS 1 13.947 -5.602 12.728
5 HB2 LYS 1 HB2 LYS 1 12.008 -6.706 13.852
6 HB3 LYS 1 HB1 LYS 1 13.398 -7.781 13.708
7 HG2 LYS 1 HG2 LYS 1 13.498 -6.229 16.175
8 HG3 LYS 1 HG1 LYS 1 12.015 -7.174 16.062
9 HD2 LYS 1 HD2 LYS 1 13.795 -9.026 15.214
10 HD3 LYS 1 HD1 LYS 1 14.828 -8.094 16.298
11 HE2 LYS 1 HE2 LYS 1 13.758 -8.869 18.153
12 HE3 LYS 1 HE1 LYS 1 12.157 -8.661 17.415
13 HZ1 LYS 1 HZ1 LYS 1 12.785 -10.597 15.945
14 HZ2 LYS 1 HZ2 LYS 1 12.477 -10.974 17.572
15 HZ3 LYS 1 HZ3 LYS 1 14.076 -10.882 17.007
16 H ILE 2 HN ILE 2 14.546 -3.276 13.298
17 HA ILE 2 HA ILE 2 12.872 -2.149 15.502
18 HB ILE 2 HB ILE 2 15.281 -1.654 15.490
19 HG12 ILE 2 HG12 ILE 2 13.735 0.796 14.598
20 HG13 ILE 2 HG11 ILE 2 13.595 0.087 16.208
21 HG21 ILE 2 HG21 ILE 2 14.671 -0.732 12.681
22 HG22 ILE 2 HG22 ILE 2 15.922 -1.851 13.220
23 HG23 ILE 2 HG23 ILE 2 16.074 -0.127 13.560
24 HD11 ILE 2 HD11 ILE 2 16.230 0.265 16.178
25 HD12 ILE 2 HD12 ILE 2 15.253 1.677 16.577
26 HD13 ILE 2 HD13 ILE 2 15.925 1.500 14.956
27 H PHE 3 HN PHE 3 13.231 -2.226 12.017
28 HA PHE 3 HA PHE 3 10.894 -0.357 11.792
29 HB2 PHE 3 HB2 PHE 3 13.524 -0.498 10.334
30 HB3 PHE 3 HB1 PHE 3 12.112 0.186 9.527
31 HD1 PHE 3 HD1 PHE 3 10.718 1.907 11.005
32 HD2 PHE 3 HD2 PHE 3 14.856 0.928 11.619
33 HE1 PHE 3 HE1 PHE 3 11.041 4.039 12.228
34 HE2 PHE 3 HE2 PHE 3 15.178 3.061 12.843
35 HZ PHE 3 HZ PHE 3 13.270 4.616 13.147
36 H GLY 4 HN GLY 4 12.698 -3.056 10.309
37 HA2 GLY 4 HA2 GLY 4 11.303 -5.031 9.639
38 HA3 GLY 4 HA1 GLY 4 10.146 -3.876 8.977
39 H ALA 5 HN ALA 5 13.707 -4.119 8.697
40 HA ALA 5 HA ALA 5 15.077 -4.039 6.770
41 HB1 ALA 5 HB1 ALA 5 12.685 -5.643 5.810
42 HB2 ALA 5 HB2 ALA 5 14.114 -6.288 6.617
43 HB3 ALA 5 HB3 ALA 5 14.251 -5.597 5.000
44 H ILE 6 HN ILE 6 13.608 -1.681 7.073
45 HA ILE 6 HA ILE 6 12.268 -1.063 4.512
46 HB ILE 6 HB ILE 6 11.826 1.074 5.648
47 HG12 ILE 6 HG12 ILE 6 13.385 0.037 8.015
48 HG13 ILE 6 HG11 ILE 6 14.142 1.053 6.787
49 HG21 ILE 6 HG21 ILE 6 11.522 -1.198 7.625
50 HG22 ILE 6 HG22 ILE 6 10.503 -1.016 6.197
51 HG23 ILE 6 HG23 ILE 6 10.485 0.219 7.456
52 HD11 ILE 6 HD11 ILE 6 12.929 2.917 7.378
53 HD12 ILE 6 HD12 ILE 6 12.932 2.099 8.939
54 HD13 ILE 6 HD13 ILE 6 11.528 1.973 7.882
55 H TRP 7 HN TRP 7 15.399 -0.758 5.949
56 HA TRP 7 HA TRP 7 16.262 1.429 4.174
57 HB2 TRP 7 HB2 TRP 7 17.984 -0.266 5.995
58 HB3 TRP 7 HB1 TRP 7 18.209 1.419 5.532
59 HD1 TRP 7 HD1 TRP 7 16.346 -0.794 7.970
60 HE1 TRP 7 HE1 TRP 7 15.066 0.673 9.655
61 HE3 TRP 7 HE3 TRP 7 16.983 3.791 5.810
62 HZ2 TRP 7 HZ2 TRP 7 14.383 3.416 10.026
63 HZ3 TRP 7 HZ3 TRP 7 16.001 5.814 6.852
64 HH2 TRP 7 HH2 TRP 7 14.707 5.635 8.959
65 HA PRO 8 HA PRO 8 18.820 -2.277 2.442
66 HB2 PRO 8 HB2 PRO 8 17.239 -4.655 3.120
67 HB3 PRO 8 HB1 PRO 8 18.968 -4.357 3.373
68 HG2 PRO 8 HG2 PRO 8 17.160 -4.473 5.389
69 HG3 PRO 8 HG1 PRO 8 18.655 -3.529 5.463
70 HD2 PRO 8 HD2 PRO 8 15.862 -2.611 5.030
71 HD3 PRO 8 HD1 PRO 8 17.207 -1.807 5.865
72 H LEU 9 HN LEU 9 15.358 -2.000 2.611
73 HA LEU 9 HA LEU 9 14.901 -3.309 -0.001
74 HB2 LEU 9 HB2 LEU 9 13.350 -3.490 1.945
75 HB3 LEU 9 HB1 LEU 9 13.073 -1.749 1.855
76 HG LEU 9 HG LEU 9 12.702 -3.270 -0.671
77 HD11 LEU 9 HD11 LEU 9 10.225 -3.579 0.324
78 HD12 LEU 9 HD12 LEU 9 11.141 -3.758 1.821
79 HD13 LEU 9 HD13 LEU 9 11.454 -4.837 0.462
80 HD21 LEU 9 HD21 LEU 9 11.351 -1.491 -1.181
81 HD22 LEU 9 HD22 LEU 9 12.251 -0.710 0.119
82 HD23 LEU 9 HD23 LEU 9 10.667 -1.416 0.442
83 H ALA 10 HN ALA 10 15.266 -0.075 1.333
84 HA ALA 10 HA ALA 10 14.207 1.310 -1.014
85 HB1 ALA 10 HB1 ALA 10 14.101 2.287 1.212
86 HB2 ALA 10 HB2 ALA 10 15.171 3.281 0.223
87 HB3 ALA 10 HB3 ALA 10 15.850 2.150 1.394
88 H LEU 11 HN LEU 11 17.361 0.184 0.080
89 HA LEU 11 HA LEU 11 18.871 1.742 -1.887
90 HB2 LEU 11 HB2 LEU 11 19.333 0.277 0.479
91 HB3 LEU 11 HB1 LEU 11 20.217 -0.582 -0.782
92 HG LEU 11 HG LEU 11 20.400 2.413 -0.402
93 HD11 LEU 11 HD11 LEU 11 22.197 2.160 1.038
94 HD12 LEU 11 HD12 LEU 11 22.582 0.545 0.440
95 HD13 LEU 11 HD13 LEU 11 21.216 0.780 1.531
96 HD21 LEU 11 HD21 LEU 11 21.948 0.336 -1.968
97 HD22 LEU 11 HD22 LEU 11 22.578 1.955 -1.664
98 HD23 LEU 11 HD23 LEU 11 21.094 1.746 -2.594
99 H GLY 12 HN GLY 12 17.506 -1.511 -1.670
100 HA2 GLY 12 HA2 GLY 12 18.918 -2.662 -3.880
101 HA3 GLY 12 HA1 GLY 12 17.367 -3.232 -3.261
102 H ALA 13 HN ALA 13 15.789 -0.960 -3.687
103 HA ALA 13 HA ALA 13 15.304 -1.168 -6.563
104 HB1 ALA 13 HB1 ALA 13 13.783 -0.804 -4.348
105 HB2 ALA 13 HB2 ALA 13 13.245 -0.345 -5.964
106 HB3 ALA 13 HB3 ALA 13 13.935 0.868 -4.885
107 H LEU 14 HN LEU 14 17.000 1.036 -4.463
108 HA LEU 14 HA LEU 14 16.841 3.457 -5.951
109 HB2 LEU 14 HB2 LEU 14 18.040 2.529 -3.656
110 HB3 LEU 14 HB1 LEU 14 19.435 2.793 -4.704
111 HG LEU 14 HG LEU 14 17.272 4.876 -4.360
112 HD11 LEU 14 HD11 LEU 14 18.675 5.942 -2.677
113 HD12 LEU 14 HD12 LEU 14 19.885 4.670 -2.834
114 HD13 LEU 14 HD13 LEU 14 18.301 4.301 -2.152
115 HD21 LEU 14 HD21 LEU 14 19.016 4.835 -6.290
116 HD22 LEU 14 HD22 LEU 14 20.185 5.269 -5.043
117 HD23 LEU 14 HD23 LEU 14 18.822 6.335 -5.385
118 H LYS 15 HN LYS 15 19.493 1.035 -6.019
119 HA LYS 15 HA LYS 15 20.814 2.148 -8.305
120 HB2 LYS 15 HB2 LYS 15 21.986 -0.043 -8.283
121 HB3 LYS 15 HB1 LYS 15 21.842 0.629 -6.659
122 HG2 LYS 15 HG2 LYS 15 20.976 -1.393 -6.103
123 HG3 LYS 15 HG1 LYS 15 19.507 -0.815 -6.889
124 HD2 LYS 15 HD2 LYS 15 19.777 -2.715 -8.139
125 HD3 LYS 15 HD1 LYS 15 20.871 -1.682 -9.059
126 HE2 LYS 15 HE2 LYS 15 22.732 -2.794 -8.323
127 HE3 LYS 15 HE1 LYS 15 22.079 -2.992 -6.684
128 HZ1 LYS 15 HZ1 LYS 15 20.453 -4.588 -7.667
129 HZ2 LYS 15 HZ2 LYS 15 22.065 -5.126 -7.705
130 HZ3 LYS 15 HZ3 LYS 15 21.333 -4.525 -9.115
131 H ASN 16 HN ASN 16 18.067 -0.008 -7.997
132 HA ASN 16 HA ASN 16 18.108 -1.253 -10.562
133 HB2 ASN 16 HB2 ASN 16 16.200 -0.675 -8.374
134 HB3 ASN 16 HB1 ASN 16 15.455 -0.956 -9.949
135 HD21 ASN 16 HD21 ASN 16 17.832 -2.425 -7.675
136 HD22 ASN 16 HD22 ASN 16 17.522 -4.024 -8.150
137 H LEU 17 HN LEU 17 17.167 1.988 -9.562
138 HA LEU 17 HA LEU 17 15.825 2.597 -12.116
139 HB2 LEU 17 HB2 LEU 17 16.681 4.389 -9.819
140 HB3 LEU 17 HB1 LEU 17 15.483 4.770 -11.056
141 HG LEU 17 HG LEU 17 15.257 2.481 -9.082
142 HD11 LEU 17 HD11 LEU 17 13.255 4.081 -8.381
143 HD12 LEU 17 HD12 LEU 17 14.312 5.321 -9.055
144 HD13 LEU 17 HD13 LEU 17 14.873 4.315 -7.719
145 HD21 LEU 17 HD21 LEU 17 13.462 3.593 -11.247
146 HD22 LEU 17 HD22 LEU 17 12.832 2.603 -9.930
147 HD23 LEU 17 HD23 LEU 17 14.022 1.934 -11.046
148 H ILE 18 HN ILE 18 18.535 4.200 -10.408
149 HA ILE 18 HA ILE 18 19.575 5.493 -12.739
150 HB ILE 18 HB ILE 18 21.513 5.899 -11.252
151 HG12 ILE 18 HG12 ILE 18 20.140 3.994 -9.330
152 HG13 ILE 18 HG11 ILE 18 21.541 3.556 -10.310
153 HG21 ILE 18 HG21 ILE 18 20.345 7.294 -9.848
154 HG22 ILE 18 HG22 ILE 18 19.209 6.032 -9.369
155 HG23 ILE 18 HG23 ILE 18 19.020 6.845 -10.922
156 HD11 ILE 18 HD11 ILE 18 22.562 4.239 -8.328
157 HD12 ILE 18 HD12 ILE 18 21.362 5.495 -8.024
158 HD13 ILE 18 HD13 ILE 18 22.591 5.731 -9.267
159 H LYS 19 HN LYS 19 20.058 2.278 -11.412
160 HA LYS 19 HA LYS 19 21.928 1.681 -13.679
161 HB2 LYS 19 HB2 LYS 19 22.079 1.077 -10.729
162 HB3 LYS 19 HB1 LYS 19 22.933 0.062 -11.893
163 HG2 LYS 19 HG2 LYS 19 23.215 3.068 -11.917
164 HG3 LYS 19 HG1 LYS 19 24.235 2.053 -10.897
165 HD2 LYS 19 HD2 LYS 19 25.079 0.852 -12.817
166 HD3 LYS 19 HD1 LYS 19 23.931 1.660 -13.885
167 HE2 LYS 19 HE2 LYS 19 26.004 2.831 -14.178
168 HE3 LYS 19 HE1 LYS 19 25.038 3.868 -13.110
169 HZ1 LYS 19 HZ1 LYS 19 27.243 3.512 -12.182
170 HZ2 LYS 19 HZ2 LYS 19 27.018 1.829 -12.232
171 HZ3 LYS 19 HZ3 LYS 19 26.066 2.787 -11.200
172 HN1 NH2 20 H1 NH2 20 22.118 -1.060 -13.425
173 HN2 NH2 20 H2 NH2 20 20.592 -1.795 -13.512
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 12.305 -2.295 19.297
2 H2 LYS 1 HT2 LYS 1 13.794 -3.098 19.148
3 H3 LYS 1 HT3 LYS 1 12.345 -3.924 18.826
4 HA LYS 1 HA LYS 1 13.245 -1.568 17.252
5 HB2 LYS 1 HB2 LYS 1 14.038 -3.306 15.641
6 HB3 LYS 1 HB1 LYS 1 14.912 -3.366 17.171
7 HG2 LYS 1 HG2 LYS 1 14.039 -5.398 17.743
8 HG3 LYS 1 HG1 LYS 1 12.462 -5.030 17.044
9 HD2 LYS 1 HD2 LYS 1 13.945 -5.125 14.784
10 HD3 LYS 1 HD1 LYS 1 14.850 -6.264 15.780
11 HE2 LYS 1 HE2 LYS 1 12.218 -6.996 16.270
12 HE3 LYS 1 HE1 LYS 1 12.209 -6.585 14.543
13 HZ1 LYS 1 HZ1 LYS 1 14.082 -8.424 15.934
14 HZ2 LYS 1 HZ2 LYS 1 14.286 -7.899 14.330
15 HZ3 LYS 1 HZ3 LYS 1 12.936 -8.838 14.756
16 H ILE 2 HN ILE 2 11.994 -1.418 15.256
17 HA ILE 2 HA ILE 2 9.369 -2.869 15.384
18 HB ILE 2 HB ILE 2 8.478 -0.750 14.341
19 HG12 ILE 2 HG12 ILE 2 11.191 0.383 15.083
20 HG13 ILE 2 HG11 ILE 2 10.746 -0.057 13.434
21 HG21 ILE 2 HG21 ILE 2 8.193 0.254 16.407
22 HG22 ILE 2 HG22 ILE 2 9.886 0.053 16.855
23 HG23 ILE 2 HG23 ILE 2 8.788 -1.325 16.922
24 HD11 ILE 2 HD11 ILE 2 9.593 2.111 15.179
25 HD12 ILE 2 HD12 ILE 2 8.665 1.452 13.832
26 HD13 ILE 2 HD13 ILE 2 10.217 2.234 13.534
27 H PHE 3 HN PHE 3 11.973 -1.658 13.317
28 HA PHE 3 HA PHE 3 10.818 -3.257 11.054
29 HB2 PHE 3 HB2 PHE 3 12.366 -0.642 10.990
30 HB3 PHE 3 HB1 PHE 3 11.759 -1.505 9.579
31 HD1 PHE 3 HD1 PHE 3 11.098 1.288 11.338
32 HD2 PHE 3 HD2 PHE 3 9.107 -2.362 10.254
33 HE1 PHE 3 HE1 PHE 3 8.901 2.410 11.593
34 HE2 PHE 3 HE2 PHE 3 6.911 -1.238 10.508
35 HZ PHE 3 HZ PHE 3 6.808 1.147 11.178
36 H GLY 4 HN GLY 4 12.547 -4.025 9.516
37 HA2 GLY 4 HA2 GLY 4 15.227 -4.266 10.803
38 HA3 GLY 4 HA1 GLY 4 14.401 -5.715 10.233
39 H ALA 5 HN ALA 5 13.352 -4.914 7.820
40 HA ALA 5 HA ALA 5 15.783 -4.083 6.265
41 HB1 ALA 5 HB1 ALA 5 15.493 -5.926 4.926
42 HB2 ALA 5 HB2 ALA 5 13.735 -5.862 5.051
43 HB3 ALA 5 HB3 ALA 5 14.687 -6.558 6.362
44 H ILE 6 HN ILE 6 13.722 -2.244 7.133
45 HA ILE 6 HA ILE 6 11.982 -1.809 4.779
46 HB ILE 6 HB ILE 6 11.017 -0.064 6.205
47 HG12 ILE 6 HG12 ILE 6 13.067 -0.776 8.306
48 HG13 ILE 6 HG11 ILE 6 13.310 0.564 7.186
49 HG21 ILE 6 HG21 ILE 6 10.411 -2.466 6.570
50 HG22 ILE 6 HG22 ILE 6 10.244 -1.480 8.024
51 HG23 ILE 6 HG23 ILE 6 11.640 -2.542 7.834
52 HD11 ILE 6 HD11 ILE 6 12.073 0.894 9.545
53 HD12 ILE 6 HD12 ILE 6 10.677 0.430 8.570
54 HD13 ILE 6 HD13 ILE 6 11.640 1.836 8.118
55 H TRP 7 HN TRP 7 14.943 -0.612 6.165
56 HA TRP 7 HA TRP 7 14.964 1.853 4.557
57 HB2 TRP 7 HB2 TRP 7 17.247 0.660 6.144
58 HB3 TRP 7 HB1 TRP 7 16.908 2.358 5.826
59 HD1 TRP 7 HD1 TRP 7 16.041 -0.477 8.160
60 HE1 TRP 7 HE1 TRP 7 14.478 0.384 10.017
61 HE3 TRP 7 HE3 TRP 7 14.969 4.169 6.330
62 HZ2 TRP 7 HZ2 TRP 7 12.960 2.717 10.634
63 HZ3 TRP 7 HZ3 TRP 7 13.457 5.688 7.575
64 HH2 TRP 7 HH2 TRP 7 12.455 4.971 9.726
65 HA PRO 8 HA PRO 8 18.460 -0.713 2.417
66 HB2 PRO 8 HB2 PRO 8 17.669 -3.505 2.894
67 HB3 PRO 8 HB1 PRO 8 19.256 -2.742 3.106
68 HG2 PRO 8 HG2 PRO 8 17.708 -3.548 5.173
69 HG3 PRO 8 HG1 PRO 8 18.857 -2.207 5.276
70 HD2 PRO 8 HD2 PRO 8 15.895 -2.142 5.054
71 HD3 PRO 8 HD1 PRO 8 16.994 -1.038 5.904
72 H LEU 9 HN LEU 9 15.089 -1.568 2.697
73 HA LEU 9 HA LEU 9 14.814 -2.820 0.082
74 HB2 LEU 9 HB2 LEU 9 13.335 -3.051 2.146
75 HB3 LEU 9 HB1 LEU 9 12.716 -1.441 1.779
76 HG LEU 9 HG LEU 9 12.749 -3.357 -0.486
77 HD11 LEU 9 HD11 LEU 9 10.516 -3.593 1.512
78 HD12 LEU 9 HD12 LEU 9 11.970 -4.572 1.707
79 HD13 LEU 9 HD13 LEU 9 10.997 -4.721 0.244
80 HD21 LEU 9 HD21 LEU 9 11.646 -1.449 -1.118
81 HD22 LEU 9 HD22 LEU 9 11.184 -1.047 0.536
82 HD23 LEU 9 HD23 LEU 9 10.272 -2.258 -0.365
83 H ALA 10 HN ALA 10 14.391 0.471 1.365
84 HA ALA 10 HA ALA 10 13.296 1.595 -1.072
85 HB1 ALA 10 HB1 ALA 10 14.086 3.740 0.169
86 HB2 ALA 10 HB2 ALA 10 14.565 2.640 1.461
87 HB3 ALA 10 HB3 ALA 10 12.876 2.733 0.962
88 H LEU 11 HN LEU 11 16.567 1.610 0.384
89 HA LEU 11 HA LEU 11 17.860 3.115 -1.674
90 HB2 LEU 11 HB2 LEU 11 18.790 1.009 0.299
91 HB3 LEU 11 HB1 LEU 11 19.901 1.953 -0.694
92 HG LEU 11 HG LEU 11 17.835 3.470 0.821
93 HD11 LEU 11 HD11 LEU 11 20.048 1.868 2.066
94 HD12 LEU 11 HD12 LEU 11 18.418 2.170 2.666
95 HD13 LEU 11 HD13 LEU 11 19.637 3.441 2.748
96 HD21 LEU 11 HD21 LEU 11 20.668 3.803 -0.121
97 HD22 LEU 11 HD22 LEU 11 20.075 4.815 1.195
98 HD23 LEU 11 HD23 LEU 11 19.278 4.857 -0.378
99 H GLY 12 HN GLY 12 16.938 -0.268 -1.458
100 HA2 GLY 12 HA2 GLY 12 18.653 -1.311 -3.496
101 HA3 GLY 12 HA1 GLY 12 17.115 -2.023 -3.005
102 H ALA 13 HN ALA 13 15.677 0.533 -3.627
103 HA ALA 13 HA ALA 13 15.074 -0.050 -6.416
104 HB1 ALA 13 HB1 ALA 13 13.450 0.677 -4.651
105 HB2 ALA 13 HB2 ALA 13 13.406 1.707 -6.082
106 HB3 ALA 13 HB3 ALA 13 14.237 2.255 -4.626
107 H LEU 14 HN LEU 14 17.206 2.152 -4.756
108 HA LEU 14 HA LEU 14 17.415 4.252 -6.675
109 HB2 LEU 14 HB2 LEU 14 18.375 3.848 -4.247
110 HB3 LEU 14 HB1 LEU 14 19.767 3.210 -5.123
111 HG LEU 14 HG LEU 14 19.389 5.481 -6.522
112 HD11 LEU 14 HD11 LEU 14 18.856 7.294 -4.891
113 HD12 LEU 14 HD12 LEU 14 18.425 6.062 -3.705
114 HD13 LEU 14 HD13 LEU 14 17.484 6.227 -5.187
115 HD21 LEU 14 HD21 LEU 14 21.351 6.189 -5.523
116 HD22 LEU 14 HD22 LEU 14 21.338 4.515 -4.968
117 HD23 LEU 14 HD23 LEU 14 20.785 5.803 -3.897
118 H LYS 15 HN LYS 15 19.632 1.459 -6.242
119 HA LYS 15 HA LYS 15 21.100 1.861 -8.656
120 HB2 LYS 15 HB2 LYS 15 21.811 -0.482 -8.237
121 HB3 LYS 15 HB1 LYS 15 21.814 0.468 -6.752
122 HG2 LYS 15 HG2 LYS 15 20.620 -1.307 -5.942
123 HG3 LYS 15 HG1 LYS 15 19.270 -0.464 -6.700
124 HD2 LYS 15 HD2 LYS 15 19.182 -1.921 -8.495
125 HD3 LYS 15 HD1 LYS 15 20.897 -2.320 -8.389
126 HE2 LYS 15 HE2 LYS 15 20.511 -3.688 -6.405
127 HE3 LYS 15 HE1 LYS 15 18.805 -3.202 -6.366
128 HZ1 LYS 15 HZ1 LYS 15 20.112 -4.524 -8.683
129 HZ2 LYS 15 HZ2 LYS 15 18.460 -4.166 -8.513
130 HZ3 LYS 15 HZ3 LYS 15 19.183 -5.345 -7.526
131 H ASN 16 HN ASN 16 17.993 0.344 -8.056
132 HA ASN 16 HA ASN 16 17.765 -1.281 -10.388
133 HB2 ASN 16 HB2 ASN 16 16.039 -0.027 -8.345
134 HB3 ASN 16 HB1 ASN 16 15.225 -0.362 -9.874
135 HD21 ASN 16 HD21 ASN 16 17.290 -1.959 -7.396
136 HD22 ASN 16 HD22 ASN 16 16.656 -3.513 -7.652
137 H LEU 17 HN LEU 17 17.603 2.191 -9.972
138 HA LEU 17 HA LEU 17 16.310 2.644 -12.588
139 HB2 LEU 17 HB2 LEU 17 17.601 4.572 -10.628
140 HB3 LEU 17 HB1 LEU 17 16.460 4.982 -11.908
141 HG LEU 17 HG LEU 17 15.844 3.162 -9.563
142 HD11 LEU 17 HD11 LEU 17 15.930 5.273 -8.578
143 HD12 LEU 17 HD12 LEU 17 14.250 5.210 -9.111
144 HD13 LEU 17 HD13 LEU 17 15.443 6.095 -10.061
145 HD21 LEU 17 HD21 LEU 17 14.373 2.504 -11.256
146 HD22 LEU 17 HD22 LEU 17 14.324 4.114 -11.974
147 HD23 LEU 17 HD23 LEU 17 13.452 3.790 -10.475
148 H ILE 18 HN ILE 18 19.364 3.856 -11.152
149 HA ILE 18 HA ILE 18 20.573 4.485 -13.680
150 HB ILE 18 HB ILE 18 22.595 4.747 -12.277
151 HG12 ILE 18 HG12 ILE 18 20.914 3.523 -10.065
152 HG13 ILE 18 HG11 ILE 18 22.206 2.674 -10.914
153 HG21 ILE 18 HG21 ILE 18 19.938 5.816 -11.512
154 HG22 ILE 18 HG22 ILE 18 21.414 6.675 -11.953
155 HG23 ILE 18 HG23 ILE 18 21.222 6.032 -10.323
156 HD11 ILE 18 HD11 ILE 18 22.862 5.348 -9.774
157 HD12 ILE 18 HD12 ILE 18 23.868 3.905 -9.907
158 HD13 ILE 18 HD13 ILE 18 22.651 4.017 -8.635
159 H LYS 19 HN LYS 19 20.485 1.553 -11.734
160 HA LYS 19 HA LYS 19 22.149 0.180 -13.822
161 HB2 LYS 19 HB2 LYS 19 22.111 0.037 -10.806
162 HB3 LYS 19 HB1 LYS 19 22.767 -1.290 -11.767
163 HG2 LYS 19 HG2 LYS 19 23.695 1.427 -12.515
164 HG3 LYS 19 HG1 LYS 19 24.256 0.825 -10.955
165 HD2 LYS 19 HD2 LYS 19 25.480 -0.885 -11.897
166 HD3 LYS 19 HD1 LYS 19 24.388 -1.048 -13.274
167 HE2 LYS 19 HE2 LYS 19 25.609 0.400 -14.531
168 HE3 LYS 19 HE1 LYS 19 25.742 1.562 -13.194
169 HZ1 LYS 19 HZ1 LYS 19 27.464 0.303 -12.206
170 HZ2 LYS 19 HZ2 LYS 19 27.880 0.450 -13.847
171 HZ3 LYS 19 HZ3 LYS 19 27.227 -1.005 -13.260
172 HN1 NH2 20 H1 NH2 20 20.073 -0.489 -14.884
173 HN2 NH2 20 H2 NH2 20 19.112 -1.701 -14.185
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 15.121 -2.548 15.384
2 H2 LYS 1 HT2 LYS 1 14.499 -1.064 14.839
3 H3 LYS 1 HT3 LYS 1 13.828 -2.523 14.286
4 HA LYS 1 HA LYS 1 13.237 -3.005 16.696
5 HB2 LYS 1 HB2 LYS 1 14.932 -0.930 17.084
6 HB3 LYS 1 HB1 LYS 1 13.399 -0.058 17.080
7 HG2 LYS 1 HG2 LYS 1 13.761 -0.682 19.351
8 HG3 LYS 1 HG1 LYS 1 12.562 -1.820 18.739
9 HD2 LYS 1 HD2 LYS 1 14.005 -3.351 19.656
10 HD3 LYS 1 HD1 LYS 1 14.803 -3.171 18.093
11 HE2 LYS 1 HE2 LYS 1 15.923 -1.087 19.455
12 HE3 LYS 1 HE1 LYS 1 15.690 -2.258 20.768
13 HZ1 LYS 1 HZ1 LYS 1 17.757 -2.750 19.700
14 HZ2 LYS 1 HZ2 LYS 1 17.033 -2.741 18.163
15 HZ3 LYS 1 HZ3 LYS 1 16.653 -3.966 19.277
16 H ILE 2 HN ILE 2 12.693 -0.424 14.347
17 HA ILE 2 HA ILE 2 9.749 -0.587 14.894
18 HB ILE 2 HB ILE 2 10.801 1.608 15.251
19 HG12 ILE 2 HG12 ILE 2 9.432 2.931 13.638
20 HG13 ILE 2 HG11 ILE 2 9.146 1.458 12.711
21 HG21 ILE 2 HG21 ILE 2 12.743 1.490 13.861
22 HG22 ILE 2 HG22 ILE 2 11.739 2.770 13.179
23 HG23 ILE 2 HG23 ILE 2 11.776 1.180 12.419
24 HD11 ILE 2 HD11 ILE 2 8.008 0.427 14.586
25 HD12 ILE 2 HD12 ILE 2 7.288 2.013 14.310
26 HD13 ILE 2 HD13 ILE 2 8.427 1.779 15.637
27 H PHE 3 HN PHE 3 12.259 -0.969 12.476
28 HA PHE 3 HA PHE 3 10.192 -1.971 10.562
29 HB2 PHE 3 HB2 PHE 3 12.349 0.107 10.148
30 HB3 PHE 3 HB1 PHE 3 11.608 -0.745 8.795
31 HD1 PHE 3 HD1 PHE 3 8.870 -0.945 9.184
32 HD2 PHE 3 HD2 PHE 3 11.445 2.209 10.555
33 HE1 PHE 3 HE1 PHE 3 6.932 0.600 9.268
34 HE2 PHE 3 HE2 PHE 3 9.507 3.754 10.640
35 HZ PHE 3 HZ PHE 3 7.251 2.949 9.997
36 H GLY 4 HN GLY 4 10.823 -3.896 9.641
37 HA2 GLY 4 HA2 GLY 4 13.328 -5.120 10.457
38 HA3 GLY 4 HA1 GLY 4 12.137 -5.834 9.370
39 H ALA 5 HN ALA 5 12.690 -5.951 7.248
40 HA ALA 5 HA ALA 5 15.220 -4.712 6.364
41 HB1 ALA 5 HB1 ALA 5 13.329 -6.848 5.505
42 HB2 ALA 5 HB2 ALA 5 15.090 -6.878 5.591
43 HB3 ALA 5 HB3 ALA 5 14.288 -6.084 4.237
44 H ILE 6 HN ILE 6 13.592 -2.605 6.773
45 HA ILE 6 HA ILE 6 12.169 -1.965 4.239
46 HB ILE 6 HB ILE 6 12.372 -0.735 6.998
47 HG12 ILE 6 HG12 ILE 6 9.811 -1.143 6.742
48 HG13 ILE 6 HG11 ILE 6 10.273 -2.199 5.406
49 HG21 ILE 6 HG21 ILE 6 11.293 0.403 4.443
50 HG22 ILE 6 HG22 ILE 6 12.125 1.219 5.767
51 HG23 ILE 6 HG23 ILE 6 10.438 0.739 5.949
52 HD11 ILE 6 HD11 ILE 6 11.187 -3.770 6.789
53 HD12 ILE 6 HD12 ILE 6 10.117 -3.038 7.984
54 HD13 ILE 6 HD13 ILE 6 11.813 -2.562 7.912
55 H TRP 7 HN TRP 7 14.770 -0.670 6.329
56 HA TRP 7 HA TRP 7 15.473 1.520 4.604
57 HB2 TRP 7 HB2 TRP 7 17.231 0.006 6.563
58 HB3 TRP 7 HB1 TRP 7 17.416 1.679 6.047
59 HD1 TRP 7 HD1 TRP 7 15.643 -0.478 8.530
60 HE1 TRP 7 HE1 TRP 7 14.115 0.968 10.018
61 HE3 TRP 7 HE3 TRP 7 15.818 3.928 5.955
62 HZ2 TRP 7 HZ2 TRP 7 13.096 3.637 10.103
63 HZ3 TRP 7 HZ3 TRP 7 14.559 5.904 6.760
64 HH2 TRP 7 HH2 TRP 7 13.199 5.765 8.830
65 HA PRO 8 HA PRO 8 18.865 -1.581 3.020
66 HB2 PRO 8 HB2 PRO 8 17.491 -4.179 3.240
67 HB3 PRO 8 HB1 PRO 8 19.139 -3.741 3.721
68 HG2 PRO 8 HG2 PRO 8 17.175 -4.246 5.499
69 HG3 PRO 8 HG1 PRO 8 18.510 -3.129 5.819
70 HD2 PRO 8 HD2 PRO 8 15.676 -2.540 5.144
71 HD3 PRO 8 HD1 PRO 8 16.806 -1.650 6.184
72 H LEU 9 HN LEU 9 15.415 -2.367 2.703
73 HA LEU 9 HA LEU 9 15.547 -3.160 -0.084
74 HB2 LEU 9 HB2 LEU 9 13.715 -3.160 2.036
75 HB3 LEU 9 HB1 LEU 9 13.002 -2.070 0.848
76 HG LEU 9 HG LEU 9 13.378 -3.834 -0.902
77 HD11 LEU 9 HD11 LEU 9 14.889 -5.005 1.219
78 HD12 LEU 9 HD12 LEU 9 14.661 -5.619 -0.418
79 HD13 LEU 9 HD13 LEU 9 13.543 -6.088 0.863
80 HD21 LEU 9 HD21 LEU 9 11.177 -3.615 0.097
81 HD22 LEU 9 HD22 LEU 9 11.681 -4.534 1.514
82 HD23 LEU 9 HD23 LEU 9 11.541 -5.334 -0.051
83 H ALA 10 HN ALA 10 15.056 -0.100 1.616
84 HA ALA 10 HA ALA 10 14.075 1.469 -0.563
85 HB1 ALA 10 HB1 ALA 10 15.803 2.174 1.833
86 HB2 ALA 10 HB2 ALA 10 14.039 2.145 1.800
87 HB3 ALA 10 HB3 ALA 10 14.920 3.343 0.850
88 H LEU 11 HN LEU 11 17.307 0.366 0.273
89 HA LEU 11 HA LEU 11 18.690 2.216 -1.526
90 HB2 LEU 11 HB2 LEU 11 19.411 -0.252 0.071
91 HB3 LEU 11 HB1 LEU 11 20.588 0.569 -0.954
92 HG LEU 11 HG LEU 11 19.000 2.237 0.949
93 HD11 LEU 11 HD11 LEU 11 21.517 0.944 1.934
94 HD12 LEU 11 HD12 LEU 11 20.007 0.039 2.047
95 HD13 LEU 11 HD13 LEU 11 20.163 1.600 2.853
96 HD21 LEU 11 HD21 LEU 11 21.647 2.266 -0.442
97 HD22 LEU 11 HD22 LEU 11 21.518 3.119 1.096
98 HD23 LEU 11 HD23 LEU 11 20.468 3.563 -0.249
99 H GLY 12 HN GLY 12 17.487 -1.115 -1.672
100 HA2 GLY 12 HA2 GLY 12 18.807 -1.872 -4.100
101 HA3 GLY 12 HA1 GLY 12 17.338 -2.619 -3.468
102 H ALA 13 HN ALA 13 15.876 -0.048 -3.442
103 HA ALA 13 HA ALA 13 14.839 -0.137 -6.156
104 HB1 ALA 13 HB1 ALA 13 13.740 2.068 -4.975
105 HB2 ALA 13 HB2 ALA 13 14.283 1.169 -3.557
106 HB3 ALA 13 HB3 ALA 13 13.165 0.424 -4.700
107 H LEU 14 HN LEU 14 17.147 1.871 -4.434
108 HA LEU 14 HA LEU 14 17.132 4.170 -6.138
109 HB2 LEU 14 HB2 LEU 14 18.435 3.255 -3.854
110 HB3 LEU 14 HB1 LEU 14 19.735 3.385 -5.038
111 HG LEU 14 HG LEU 14 18.427 5.708 -5.528
112 HD11 LEU 14 HD11 LEU 14 17.821 4.875 -2.709
113 HD12 LEU 14 HD12 LEU 14 16.793 5.721 -3.865
114 HD13 LEU 14 HD13 LEU 14 18.106 6.579 -3.058
115 HD21 LEU 14 HD21 LEU 14 20.708 4.901 -3.796
116 HD22 LEU 14 HD22 LEU 14 20.115 6.548 -3.590
117 HD23 LEU 14 HD23 LEU 14 20.677 6.005 -5.171
118 H LYS 15 HN LYS 15 19.683 1.650 -6.064
119 HA LYS 15 HA LYS 15 20.849 2.281 -8.556
120 HB2 LYS 15 HB2 LYS 15 21.632 -0.135 -8.434
121 HB3 LYS 15 HB1 LYS 15 21.933 0.816 -6.981
122 HG2 LYS 15 HG2 LYS 15 20.761 -0.676 -5.773
123 HG3 LYS 15 HG1 LYS 15 19.326 -0.313 -6.728
124 HD2 LYS 15 HD2 LYS 15 19.480 -2.508 -7.326
125 HD3 LYS 15 HD1 LYS 15 20.683 -1.908 -8.467
126 HE2 LYS 15 HE2 LYS 15 22.009 -2.261 -5.961
127 HE3 LYS 15 HE1 LYS 15 21.085 -3.738 -6.297
128 HZ1 LYS 15 HZ1 LYS 15 22.908 -2.350 -8.190
129 HZ2 LYS 15 HZ2 LYS 15 21.971 -3.719 -8.559
130 HZ3 LYS 15 HZ3 LYS 15 23.219 -3.824 -7.412
131 H ASN 16 HN ASN 16 17.959 0.389 -7.839
132 HA ASN 16 HA ASN 16 17.599 -1.042 -10.239
133 HB2 ASN 16 HB2 ASN 16 15.967 0.066 -8.045
134 HB3 ASN 16 HB1 ASN 16 15.071 -0.205 -9.539
135 HD21 ASN 16 HD21 ASN 16 17.868 -2.116 -8.374
136 HD22 ASN 16 HD22 ASN 16 17.008 -3.569 -8.210
137 H LEU 17 HN LEU 17 17.351 2.407 -9.655
138 HA LEU 17 HA LEU 17 15.828 2.987 -12.091
139 HB2 LEU 17 HB2 LEU 17 17.494 4.785 -10.299
140 HB3 LEU 17 HB1 LEU 17 16.219 5.298 -11.403
141 HG LEU 17 HG LEU 17 15.821 3.463 -9.024
142 HD11 LEU 17 HD11 LEU 17 15.548 6.420 -9.425
143 HD12 LEU 17 HD12 LEU 17 16.125 5.532 -8.014
144 HD13 LEU 17 HD13 LEU 17 14.398 5.601 -8.368
145 HD21 LEU 17 HD21 LEU 17 14.208 3.009 -10.785
146 HD22 LEU 17 HD22 LEU 17 13.905 4.732 -11.005
147 HD23 LEU 17 HD23 LEU 17 13.396 3.931 -9.519
148 H ILE 18 HN ILE 18 19.192 3.665 -11.054
149 HA ILE 18 HA ILE 18 20.018 4.413 -13.749
150 HB ILE 18 HB ILE 18 22.199 4.669 -12.648
151 HG12 ILE 18 HG12 ILE 18 20.879 3.368 -10.243
152 HG13 ILE 18 HG11 ILE 18 22.059 2.577 -11.288
153 HG21 ILE 18 HG21 ILE 18 21.581 6.452 -11.304
154 HG22 ILE 18 HG22 ILE 18 20.262 5.559 -10.548
155 HG23 ILE 18 HG23 ILE 18 20.076 6.190 -12.185
156 HD11 ILE 18 HD11 ILE 18 22.457 4.774 -9.303
157 HD12 ILE 18 HD12 ILE 18 23.467 4.778 -10.748
158 HD13 ILE 18 HD13 ILE 18 23.486 3.388 -9.663
159 H LYS 19 HN LYS 19 20.172 1.484 -11.784
160 HA LYS 19 HA LYS 19 22.079 0.114 -13.509
161 HB2 LYS 19 HB2 LYS 19 21.867 -1.591 -11.916
162 HB3 LYS 19 HB1 LYS 19 21.418 -0.172 -10.975
163 HG2 LYS 19 HG2 LYS 19 19.613 -1.488 -10.447
164 HG3 LYS 19 HG1 LYS 19 18.989 -0.818 -11.954
165 HD2 LYS 19 HD2 LYS 19 19.160 -2.802 -13.054
166 HD3 LYS 19 HD1 LYS 19 20.703 -3.198 -12.296
167 HE2 LYS 19 HE2 LYS 19 19.072 -3.409 -10.135
168 HE3 LYS 19 HE1 LYS 19 17.947 -3.886 -11.424
169 HZ1 LYS 19 HZ1 LYS 19 20.713 -4.939 -11.185
170 HZ2 LYS 19 HZ2 LYS 19 19.489 -5.484 -12.230
171 HZ3 LYS 19 HZ3 LYS 19 19.357 -5.739 -10.556
172 HN1 NH2 20 H1 NH2 20 21.510 -1.741 -14.931
173 HN2 NH2 20 H2 NH2 20 19.967 -1.853 -15.629
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