Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
558228 | 2m2h RC | 18914 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 10.645 -0.303 -3.857
2 HA2 GLY 1 2HA GLY 1 11.325 -2.503 -3.958
3 HA3 GLY 1 1HA GLY 1 12.414 -2.133 -2.634
4 H VAL 2 H VAL 2 10.009 -0.882 -1.207
5 HA VAL 2 HA VAL 2 9.259 -3.355 0.087
6 HB VAL 2 HB VAL 2 8.541 -0.492 0.810
7 HG11 VAL 2 1HG1 VAL 2 6.958 -2.087 1.745
8 HG12 VAL 2 2HG1 VAL 2 7.963 -1.395 3.017
9 HG13 VAL 2 3HG1 VAL 2 8.285 -3.027 2.430
10 HG21 VAL 2 3HG2 VAL 2 10.941 -0.838 0.934
11 HG22 VAL 2 1HG2 VAL 2 10.707 -2.281 1.920
12 HG23 VAL 2 2HG2 VAL 2 10.264 -0.701 2.559
13 H ABA 3 H ABU 3 7.717 -4.403 -0.996
14 HA ABA 3 HA ABU 3 5.576 -3.065 -2.349
15 HB3 ABA 3 1HB ABU 3 5.863 -5.986 -1.563
16 HB2 ABA 3 2HB ABU 3 6.409 -5.292 -3.084
17 HG1 ABA 3 1HG ABU 3 4.105 -4.748 -3.674
18 HG3 ABA 3 3HG ABU 3 4.310 -6.472 -3.371
19 HG2 ABA 3 2HG ABU 3 3.553 -5.445 -2.154
20 H ARG 4 H ARG 4 4.110 -2.027 -1.223
21 HA ARG 4 HA ARG 4 3.238 -3.181 1.324
22 HB2 ARG 4 2HB ARG 4 4.481 -1.125 1.670
23 HB3 ARG 4 1HB ARG 4 3.476 -0.290 0.501
24 HG2 ARG 4 2HG ARG 4 1.545 -0.525 1.972
25 HG3 ARG 4 1HG ARG 4 2.539 -1.404 3.138
26 HD2 ARG 4 2HD ARG 4 3.098 1.404 2.200
27 HD3 ARG 4 1HD ARG 4 2.233 1.014 3.691
28 HE ARG 4 HE ARG 4 4.362 -0.301 4.193
29 HH11 ARG 4 1HH1 ARG 4 4.357 2.825 2.471
30 HH12 ARG 4 2HH1 ARG 4 5.873 3.298 3.075
31 HH21 ARG 4 1HH2 ARG 4 6.433 0.405 5.055
32 HH22 ARG 4 2HH2 ARG 4 7.065 1.907 4.575
33 H CYS 5 H CYS 5 1.224 -3.777 1.407
34 HA CYS 5 HA CYS 5 -0.652 -2.784 -0.582
35 HB2 CYS 5 2HB CYS 5 -0.928 -5.088 1.355
36 HB3 CYS 5 1HB CYS 5 -2.040 -4.640 0.060
37 H VAL 6 H VAL 6 -1.806 -1.230 -0.097
38 HA VAL 6 HA VAL 6 -2.448 -0.664 2.721
39 HB VAL 6 HB VAL 6 -2.448 1.309 0.434
40 HG11 VAL 6 1HG1 VAL 6 -2.425 3.018 2.189
41 HG12 VAL 6 2HG1 VAL 6 -2.471 1.748 3.409
42 HG13 VAL 6 3HG1 VAL 6 -3.832 1.959 2.307
43 HG21 VAL 6 3HG2 VAL 6 -0.161 0.532 0.708
44 HG22 VAL 6 1HG2 VAL 6 -0.236 0.859 2.439
45 HG23 VAL 6 2HG2 VAL 6 -0.309 2.191 1.285
46 H ABA 7 H ABU 7 -4.542 -0.556 3.184
47 HA ABA 7 HA ABU 7 -6.463 -1.170 1.126
48 HB3 ABA 7 1HB ABU 7 -8.075 -1.249 3.004
49 HB2 ABA 7 2HB ABU 7 -6.804 -0.733 4.105
50 HG1 ABA 7 1HG ABU 7 -5.554 -2.774 3.636
51 HG3 ABA 7 3HG ABU 7 -7.169 -3.134 4.251
52 HG2 ABA 7 2HG ABU 7 -6.825 -3.297 2.529
53 H ARG 8 H ARG 8 -7.191 0.403 -0.042
54 HA ARG 8 HA ARG 8 -7.557 3.060 1.142
55 HB2 ARG 8 2HB ARG 8 -7.039 2.279 -1.734
56 HB3 ARG 8 1HB ARG 8 -7.416 3.903 -1.198
57 HG2 ARG 8 2HG ARG 8 -4.985 2.339 -0.333
58 HG3 ARG 8 1HG ARG 8 -5.005 3.517 -1.645
59 HD2 ARG 8 2HD ARG 8 -4.131 4.602 0.305
60 HD3 ARG 8 1HD ARG 8 -5.741 5.238 0.016
61 HE ARG 8 HE ARG 8 -5.921 3.103 1.838
62 HH11 ARG 8 1HH1 ARG 8 -4.709 6.424 1.729
63 HH12 ARG 8 2HH1 ARG 8 -4.926 6.698 3.386
64 HH21 ARG 8 1HH2 ARG 8 -6.220 3.463 4.081
65 HH22 ARG 8 2HH2 ARG 8 -5.770 4.964 4.762
66 H ARG 9 H ARG 9 -9.544 2.933 1.852
67 HA ARG 9 HA ARG 9 -11.757 2.774 1.942
68 HB2 ARG 9 2HB ARG 9 -11.440 4.715 0.402
69 HB3 ARG 9 1HB ARG 9 -11.557 3.618 -0.957
70 HG2 ARG 9 2HG ARG 9 -13.858 3.252 -0.595
71 HG3 ARG 9 1HG ARG 9 -13.801 3.979 1.011
72 HD2 ARG 9 2HD ARG 9 -13.307 5.426 -1.590
73 HD3 ARG 9 1HD ARG 9 -14.786 5.515 -0.627
74 HE ARG 9 HE ARG 9 -12.970 6.212 1.167
75 HH11 ARG 9 1HH1 ARG 9 -13.438 7.440 -2.138
76 HH12 ARG 9 2HH1 ARG 9 -12.709 8.943 -1.784
77 HH21 ARG 9 1HH2 ARG 9 -11.981 8.298 1.592
78 HH22 ARG 9 2HH2 ARG 9 -11.903 9.436 0.327
79 H GLY 10 H GLY 10 -10.800 0.376 1.870
80 HA2 GLY 10 2HA GLY 10 -11.829 -1.680 1.716
81 HA3 GLY 10 1HA GLY 10 -12.797 -0.996 0.424
82 H VAL 11 H VAL 11 -10.373 -0.021 -1.045
83 HA VAL 11 HA VAL 11 -9.960 -2.520 -2.446
84 HB VAL 11 HB VAL 11 -8.974 0.257 -3.175
85 HG11 VAL 11 1HG1 VAL 11 -7.727 -1.523 -4.290
86 HG12 VAL 11 2HG1 VAL 11 -8.736 -0.641 -5.438
87 HG13 VAL 11 3HG1 VAL 11 -9.237 -2.230 -4.869
88 HG21 VAL 11 3HG2 VAL 11 -10.871 0.318 -4.741
89 HG22 VAL 11 1HG2 VAL 11 -11.399 0.232 -3.060
90 HG23 VAL 11 2HG2 VAL 11 -11.447 -1.208 -4.078
91 H ABA 12 H ABU 12 -8.154 -3.690 -2.410
92 HA ABA 12 HA ABU 12 -6.048 -2.875 -0.589
93 HB3 ABA 12 1HB ABU 12 -6.396 -5.446 -2.160
94 HB2 ABA 12 2HB ABU 12 -6.946 -5.193 -0.511
95 HG1 ABA 12 1HG ABU 12 -4.640 -4.906 0.229
96 HG3 ABA 12 3HG ABU 12 -4.872 -6.464 -0.565
97 HG2 ABA 12 2HG ABU 12 -4.078 -5.142 -1.424
98 H ARG 13 H ARG 13 -4.611 -1.518 -1.421
99 HA ARG 13 HA ARG 13 -3.812 -1.826 -4.227
100 HB2 ARG 13 2HB ARG 13 -3.466 0.517 -2.358
101 HB3 ARG 13 1HB ARG 13 -2.976 0.471 -4.044
102 HG2 ARG 13 2HG ARG 13 -5.798 0.291 -3.010
103 HG3 ARG 13 1HG ARG 13 -5.052 1.700 -3.768
104 HD2 ARG 13 2HD ARG 13 -5.513 -0.980 -5.065
105 HD3 ARG 13 1HD ARG 13 -6.467 0.460 -5.346
106 HE ARG 13 HE ARG 13 -3.620 0.184 -6.043
107 HH11 ARG 13 1HH1 ARG 13 -6.798 1.568 -6.674
108 HH12 ARG 13 2HH1 ARG 13 -6.437 2.161 -8.216
109 HH21 ARG 13 1HH2 ARG 13 -3.045 0.983 -8.132
110 HH22 ARG 13 2HH2 ARG 13 -4.196 1.829 -9.078
111 H CYS 14 H CYS 14 -2.057 -3.028 -4.414
112 HA CYS 14 HA CYS 14 0.050 -2.780 -2.403
113 HB2 CYS 14 2HB CYS 14 -0.230 -4.775 -4.653
114 HB3 CYS 14 1HB CYS 14 0.995 -4.769 -3.384
115 H VAL 15 H VAL 15 1.516 -1.451 -2.726
116 HA VAL 15 HA VAL 15 2.351 -0.776 -5.471
117 HB VAL 15 HB VAL 15 2.187 1.183 -3.174
118 HG11 VAL 15 1HG1 VAL 15 2.535 2.901 -4.873
119 HG12 VAL 15 2HG1 VAL 15 2.673 1.646 -6.103
120 HG13 VAL 15 3HG1 VAL 15 3.870 1.748 -4.808
121 HG21 VAL 15 3HG2 VAL 15 -0.086 0.561 -3.816
122 HG22 VAL 15 1HG2 VAL 15 0.283 0.930 -5.498
123 HG23 VAL 15 2HG2 VAL 15 0.260 2.224 -4.303
124 H ABA 16 H ABU 16 4.540 -0.703 -5.700
125 HA ABA 16 HA ABU 16 6.100 -1.449 -3.392
126 HB3 ABA 16 1HB ABU 16 6.531 -2.752 -5.370
127 HB2 ABA 16 2HB ABU 16 7.959 -1.804 -4.996
128 HG1 ABA 16 1HG ABU 16 7.380 -0.217 -6.767
129 HG3 ABA 16 3HG ABU 16 7.582 -1.856 -7.383
130 HG2 ABA 16 2HG ABU 16 5.966 -1.188 -7.167
131 H ARG 17 H ARG 17 7.010 -0.066 -2.181
132 HA ARG 17 HA ARG 17 7.750 2.545 -3.294
133 HB2 ARG 17 2HB ARG 17 6.957 1.889 -0.442
134 HB3 ARG 17 1HB ARG 17 7.389 3.477 -1.055
135 HG2 ARG 17 2HG ARG 17 4.986 1.869 -1.919
136 HG3 ARG 17 1HG ARG 17 4.966 3.198 -0.763
137 HD2 ARG 17 2HD ARG 17 5.869 3.462 -3.638
138 HD3 ARG 17 1HD ARG 17 4.239 3.809 -3.081
139 HE ARG 17 HE ARG 17 6.121 5.264 -1.559
140 HH11 ARG 17 1HH1 ARG 17 4.775 5.244 -4.865
141 HH12 ARG 17 2HH1 ARG 17 4.810 6.939 -5.016
142 HH21 ARG 17 1HH2 ARG 17 6.157 7.627 -1.834
143 HH22 ARG 17 2HH2 ARG 17 5.599 8.306 -3.284
144 H ARG 18 H ARG 18 9.807 2.303 -3.735
145 HA ARG 18 HA ARG 18 11.984 1.934 -3.612
146 HB2 ARG 18 2HB ARG 18 11.838 3.725 -1.912
147 HB3 ARG 18 1HB ARG 18 11.555 2.532 -0.662
148 HG2 ARG 18 2HG ARG 18 13.862 3.492 -0.706
149 HG3 ARG 18 1HG ARG 18 13.804 1.732 -0.814
150 HD2 ARG 18 2HD ARG 18 15.443 2.678 -2.355
151 HD3 ARG 18 1HD ARG 18 14.148 1.862 -3.221
152 HE ARG 18 HE ARG 18 13.797 4.703 -2.874
153 HH11 ARG 18 1HH1 ARG 18 15.012 2.143 -5.019
154 HH12 ARG 18 2HH1 ARG 18 15.070 3.138 -6.395
155 HH21 ARG 18 1HH2 ARG 18 13.848 6.043 -4.777
156 HH22 ARG 18 2HH2 ARG 18 14.393 5.403 -6.258
Start of MODEL 2
1 H1 GLY 1 H GLY 1 10.597 -1.200 -4.255
2 HA2 GLY 1 2HA GLY 1 10.809 -3.489 -4.236
3 HA3 GLY 1 1HA GLY 1 11.996 -3.283 -2.956
4 H VAL 2 H VAL 2 10.122 -1.514 -1.407
5 HA VAL 2 HA VAL 2 8.885 -3.700 -0.021
6 HB VAL 2 HB VAL 2 8.978 -0.748 0.687
7 HG11 VAL 2 1HG1 VAL 2 8.192 -1.428 2.916
8 HG12 VAL 2 2HG1 VAL 2 8.028 -3.090 2.355
9 HG13 VAL 2 3HG1 VAL 2 7.001 -1.826 1.677
10 HG21 VAL 2 3HG2 VAL 2 11.150 -1.838 0.750
11 HG22 VAL 2 1HG2 VAL 2 10.493 -3.115 1.771
12 HG23 VAL 2 2HG2 VAL 2 10.594 -1.466 2.385
13 H ABA 3 H ABU 3 7.103 -4.416 -0.747
14 HA ABA 3 HA ABU 3 5.213 -2.808 -2.191
15 HB3 ABA 3 1HB ABU 3 5.073 -5.701 -1.297
16 HB2 ABA 3 2HB ABU 3 5.730 -5.153 -2.830
17 HG1 ABA 3 1HG ABU 3 2.875 -4.866 -1.941
18 HG3 ABA 3 3HG ABU 3 3.538 -4.303 -3.475
19 HG2 ABA 3 2HG ABU 3 3.495 -6.030 -3.114
20 H ARG 4 H ARG 4 4.414 -1.349 -0.766
21 HA ARG 4 HA ARG 4 3.249 -2.235 1.742
22 HB2 ARG 4 2HB ARG 4 4.513 -0.107 1.698
23 HB3 ARG 4 1HB ARG 4 3.386 0.533 0.512
24 HG2 ARG 4 2HG ARG 4 2.842 1.427 2.688
25 HG3 ARG 4 1HG ARG 4 1.560 0.324 2.181
26 HD2 ARG 4 2HD ARG 4 2.627 -1.457 3.551
27 HD3 ARG 4 1HD ARG 4 3.797 -0.264 4.111
28 HE ARG 4 HE ARG 4 0.949 0.233 4.549
29 HH11 ARG 4 1HH1 ARG 4 4.105 -0.554 5.906
30 HH12 ARG 4 2HH1 ARG 4 3.614 -0.374 7.525
31 HH21 ARG 4 1HH2 ARG 4 0.282 0.487 6.746
32 HH22 ARG 4 2HH2 ARG 4 1.401 0.245 8.020
33 H CYS 5 H CYS 5 1.211 -2.953 1.755
34 HA CYS 5 HA CYS 5 -0.560 -2.048 -0.371
35 HB2 CYS 5 2HB CYS 5 -0.812 -4.442 1.443
36 HB3 CYS 5 1HB CYS 5 -1.887 -4.013 0.115
37 H VAL 6 H VAL 6 -1.899 -0.607 0.054
38 HA VAL 6 HA VAL 6 -2.851 -0.194 2.814
39 HB VAL 6 HB VAL 6 -2.879 1.784 0.529
40 HG11 VAL 6 1HG1 VAL 6 -3.281 3.478 2.255
41 HG12 VAL 6 2HG1 VAL 6 -3.301 2.213 3.477
42 HG13 VAL 6 3HG1 VAL 6 -4.545 2.247 2.228
43 HG21 VAL 6 3HG2 VAL 6 -0.980 2.931 1.609
44 HG22 VAL 6 1HG2 VAL 6 -0.555 1.305 1.076
45 HG23 VAL 6 2HG2 VAL 6 -0.874 1.618 2.782
46 H ABA 7 H ABU 7 -4.996 -0.341 3.095
47 HA ABA 7 HA ABU 7 -6.563 -1.153 0.775
48 HB3 ABA 7 1HB ABU 7 -8.174 -2.049 2.444
49 HB2 ABA 7 2HB ABU 7 -7.089 -1.534 3.725
50 HG1 ABA 7 1HG ABU 7 -6.848 -3.907 3.289
51 HG3 ABA 7 3HG ABU 7 -6.451 -3.570 1.605
52 HG2 ABA 7 2HG ABU 7 -5.364 -3.042 2.887
53 H ARG 8 H ARG 8 -7.137 0.734 -0.087
54 HA ARG 8 HA ARG 8 -8.464 2.685 1.621
55 HB2 ARG 8 2HB ARG 8 -8.393 4.208 -0.345
56 HB3 ARG 8 1HB ARG 8 -6.795 3.636 0.106
57 HG2 ARG 8 2HG ARG 8 -6.822 2.063 -1.760
58 HG3 ARG 8 1HG ARG 8 -8.458 2.573 -2.175
59 HD2 ARG 8 2HD ARG 8 -5.942 4.239 -2.275
60 HD3 ARG 8 1HD ARG 8 -6.909 3.691 -3.642
61 HE ARG 8 HE ARG 8 -7.414 5.901 -1.882
62 HH11 ARG 8 1HH1 ARG 8 -8.862 3.760 -4.302
63 HH12 ARG 8 2HH1 ARG 8 -10.132 4.817 -4.698
64 HH21 ARG 8 1HH2 ARG 8 -9.161 7.372 -2.442
65 HH22 ARG 8 2HH2 ARG 8 -10.299 6.917 -3.611
66 H ARG 9 H ARG 9 -10.537 2.414 1.943
67 HA ARG 9 HA ARG 9 -12.679 1.759 1.747
68 HB2 ARG 9 2HB ARG 9 -12.625 3.570 -0.008
69 HB3 ARG 9 1HB ARG 9 -12.250 2.355 -1.212
70 HG2 ARG 9 2HG ARG 9 -14.597 3.030 -1.320
71 HG3 ARG 9 1HG ARG 9 -14.447 1.330 -0.877
72 HD2 ARG 9 2HD ARG 9 -16.148 2.457 0.472
73 HD3 ARG 9 1HD ARG 9 -14.802 1.900 1.464
74 HE ARG 9 HE ARG 9 -14.687 4.639 0.532
75 HH11 ARG 9 1HH1 ARG 9 -15.515 2.473 3.213
76 HH12 ARG 9 2HH1 ARG 9 -15.391 3.677 4.403
77 HH21 ARG 9 1HH2 ARG 9 -14.569 6.290 2.157
78 HH22 ARG 9 2HH2 ARG 9 -14.850 5.895 3.795
79 H GLY 10 H GLY 10 -10.932 -0.264 1.925
80 HA2 GLY 10 2HA GLY 10 -10.955 -2.532 1.863
81 HA3 GLY 10 1HA GLY 10 -12.339 -2.400 0.785
82 H VAL 11 H VAL 11 -10.398 -0.578 -0.895
83 HA VAL 11 HA VAL 11 -9.604 -2.724 -2.639
84 HB VAL 11 HB VAL 11 -9.169 0.268 -2.933
85 HG11 VAL 11 1HG1 VAL 11 -8.991 -1.954 -4.960
86 HG12 VAL 11 2HG1 VAL 11 -7.649 -0.986 -4.343
87 HG13 VAL 11 3HG1 VAL 11 -8.902 -0.237 -5.335
88 HG21 VAL 11 3HG2 VAL 11 -11.362 -1.481 -4.045
89 HG22 VAL 11 1HG2 VAL 11 -11.114 0.218 -4.445
90 HG23 VAL 11 2HG2 VAL 11 -11.542 -0.252 -2.798
91 H ABA 12 H ABU 12 -7.695 -3.638 -2.642
92 HA ABA 12 HA ABU 12 -5.674 -2.691 -0.820
93 HB3 ABA 12 1HB ABU 12 -5.753 -5.150 -2.576
94 HB2 ABA 12 2HB ABU 12 -6.250 -5.080 -0.892
95 HG1 ABA 12 1HG ABU 12 -3.462 -4.562 -1.891
96 HG3 ABA 12 3HG ABU 12 -3.991 -4.569 -0.208
97 HG2 ABA 12 2HG ABU 12 -4.031 -6.058 -1.154
98 H ARG 13 H ARG 13 -4.607 -1.046 -1.593
99 HA ARG 13 HA ARG 13 -3.568 -1.103 -4.320
100 HB2 ARG 13 2HB ARG 13 -4.704 0.948 -3.590
101 HB3 ARG 13 1HB ARG 13 -3.592 1.087 -2.235
102 HG2 ARG 13 2HG ARG 13 -1.726 1.308 -3.820
103 HG3 ARG 13 1HG ARG 13 -2.873 1.252 -5.152
104 HD2 ARG 13 2HD ARG 13 -3.989 3.248 -4.222
105 HD3 ARG 13 1HD ARG 13 -2.764 3.301 -2.953
106 HE ARG 13 HE ARG 13 -1.751 3.291 -5.642
107 HH11 ARG 13 1HH1 ARG 13 -2.540 5.224 -2.803
108 HH12 ARG 13 2HH1 ARG 13 -1.894 6.667 -3.418
109 HH21 ARG 13 1HH2 ARG 13 -0.752 5.237 -6.454
110 HH22 ARG 13 2HH2 ARG 13 -0.860 6.688 -5.558
111 H CYS 14 H CYS 14 -1.717 -2.181 -4.402
112 HA CYS 14 HA CYS 14 0.170 -1.896 -2.199
113 HB2 CYS 14 2HB CYS 14 0.187 -3.840 -4.506
114 HB3 CYS 14 1HB CYS 14 1.334 -3.811 -3.176
115 H VAL 15 H VAL 15 1.707 -0.572 -2.329
116 HA VAL 15 HA VAL 15 2.623 0.367 -4.954
117 HB VAL 15 HB VAL 15 3.008 1.700 -2.290
118 HG11 VAL 15 1HG1 VAL 15 3.371 2.736 -5.085
119 HG12 VAL 15 2HG1 VAL 15 4.639 2.374 -3.913
120 HG13 VAL 15 3HG1 VAL 15 3.519 3.710 -3.623
121 HG21 VAL 15 3HG2 VAL 15 0.614 1.658 -2.734
122 HG22 VAL 15 1HG2 VAL 15 0.880 2.331 -4.341
123 HG23 VAL 15 2HG2 VAL 15 1.222 3.299 -2.903
124 H ABA 16 H ABU 16 4.622 -0.122 -5.424
125 HA ABA 16 HA ABU 16 6.249 -1.532 -3.452
126 HB3 ABA 16 1HB ABU 16 7.663 -2.170 -5.395
127 HB2 ABA 16 2HB ABU 16 6.570 -1.279 -6.446
128 HG1 ABA 16 1HG ABU 16 6.093 -3.654 -6.517
129 HG3 ABA 16 3HG ABU 16 5.836 -3.671 -4.773
130 HG2 ABA 16 2HG ABU 16 4.739 -2.767 -5.815
131 H ARG 17 H ARG 17 6.979 0.096 -2.236
132 HA ARG 17 HA ARG 17 8.447 2.303 -3.455
133 HB2 ARG 17 2HB ARG 17 6.887 2.797 -1.631
134 HB3 ARG 17 1HB ARG 17 7.758 1.702 -0.573
135 HG2 ARG 17 2HG ARG 17 9.738 3.164 -0.729
136 HG3 ARG 17 1HG ARG 17 8.816 4.274 -1.743
137 HD2 ARG 17 2HD ARG 17 7.205 4.593 0.056
138 HD3 ARG 17 1HD ARG 17 8.102 3.465 1.067
139 HE ARG 17 HE ARG 17 9.941 5.318 0.415
140 HH11 ARG 17 1HH1 ARG 17 6.714 5.476 1.856
141 HH12 ARG 17 2HH1 ARG 17 7.019 6.905 2.736
142 HH21 ARG 17 1HH2 ARG 17 10.384 7.290 1.706
143 HH22 ARG 17 2HH2 ARG 17 9.136 7.935 2.658
144 H ARG 18 H ARG 18 10.309 1.490 -4.191
145 HA ARG 18 HA ARG 18 12.399 0.703 -4.279
146 HB2 ARG 18 2HB ARG 18 12.690 2.513 -2.503
147 HB3 ARG 18 1HB ARG 18 12.548 1.251 -1.289
148 HG2 ARG 18 2HG ARG 18 14.559 0.160 -2.197
149 HG3 ARG 18 1HG ARG 18 14.696 1.434 -3.404
150 HD2 ARG 18 2HD ARG 18 16.224 1.881 -1.589
151 HD3 ARG 18 1HD ARG 18 14.942 3.088 -1.575
152 HE ARG 18 HE ARG 18 14.409 0.848 0.120
153 HH11 ARG 18 1HH1 ARG 18 16.040 4.003 -0.006
154 HH12 ARG 18 2HH1 ARG 18 16.078 4.193 1.680
155 HH21 ARG 18 1HH2 ARG 18 14.469 1.155 2.438
156 HH22 ARG 18 2HH2 ARG 18 15.171 2.569 3.089
Start of MODEL 3
1 H1 GLY 1 H GLY 1 10.901 -1.477 -4.052
2 HA2 GLY 1 2HA GLY 1 11.000 -3.715 -3.706
3 HA3 GLY 1 1HA GLY 1 12.077 -3.389 -2.355
4 H VAL 2 H VAL 2 10.127 -1.474 -1.145
5 HA VAL 2 HA VAL 2 8.771 -3.464 0.423
6 HB VAL 2 HB VAL 2 8.643 -0.447 0.650
7 HG11 VAL 2 1HG1 VAL 2 7.884 -0.826 2.942
8 HG12 VAL 2 2HG1 VAL 2 7.938 -2.566 2.681
9 HG13 VAL 2 3HG1 VAL 2 6.784 -1.584 1.787
10 HG21 VAL 2 3HG2 VAL 2 10.420 -2.405 2.106
11 HG22 VAL 2 1HG2 VAL 2 10.309 -0.677 2.442
12 HG23 VAL 2 2HG2 VAL 2 10.934 -1.237 0.889
13 H ABA 3 H ABU 3 6.979 -4.310 -0.313
14 HA ABA 3 HA ABU 3 5.209 -2.876 -2.076
15 HB3 ABA 3 1HB ABU 3 4.942 -5.638 -0.855
16 HB2 ABA 3 2HB ABU 3 5.705 -5.294 -2.403
17 HG1 ABA 3 1HG ABU 3 3.460 -6.144 -2.716
18 HG3 ABA 3 3HG ABU 3 2.810 -4.832 -1.732
19 HG2 ABA 3 2HG ABU 3 3.584 -4.476 -3.277
20 H ARG 4 H ARG 4 4.243 -1.292 -0.992
21 HA ARG 4 HA ARG 4 3.006 -1.755 1.597
22 HB2 ARG 4 2HB ARG 4 3.350 0.670 -0.140
23 HB3 ARG 4 1HB ARG 4 2.349 0.684 1.305
24 HG2 ARG 4 2HG ARG 4 5.259 -0.032 1.273
25 HG3 ARG 4 1HG ARG 4 4.626 1.579 1.625
26 HD2 ARG 4 2HD ARG 4 3.331 0.647 3.492
27 HD3 ARG 4 1HD ARG 4 4.002 -0.951 3.162
28 HE ARG 4 HE ARG 4 6.117 0.797 3.491
29 HH11 ARG 4 1HH1 ARG 4 3.432 -0.317 5.501
30 HH12 ARG 4 2HH1 ARG 4 4.346 -0.305 6.944
31 HH21 ARG 4 1HH2 ARG 4 7.327 0.863 5.433
32 HH22 ARG 4 2HH2 ARG 4 6.635 0.389 6.901
33 H CYS 5 H CYS 5 1.156 -2.837 1.454
34 HA CYS 5 HA CYS 5 -0.704 -2.123 -0.663
35 HB2 CYS 5 2HB CYS 5 -0.826 -4.354 1.345
36 HB3 CYS 5 1HB CYS 5 -1.960 -4.016 0.032
37 H VAL 6 H VAL 6 -1.854 -0.587 -0.299
38 HA VAL 6 HA VAL 6 -2.706 0.020 2.435
39 HB VAL 6 HB VAL 6 -2.992 1.767 -0.002
40 HG11 VAL 6 1HG1 VAL 6 -3.271 3.606 1.608
41 HG12 VAL 6 2HG1 VAL 6 -3.165 2.445 2.931
42 HG13 VAL 6 3HG1 VAL 6 -4.507 2.361 1.788
43 HG21 VAL 6 3HG2 VAL 6 -1.030 3.043 0.798
44 HG22 VAL 6 1HG2 VAL 6 -0.612 1.385 0.359
45 HG23 VAL 6 2HG2 VAL 6 -0.779 1.831 2.057
46 H ABA 7 H ABU 7 -4.705 -0.259 2.927
47 HA ABA 7 HA ABU 7 -6.555 -1.272 0.916
48 HB3 ABA 7 1HB ABU 7 -7.945 -1.938 2.873
49 HB2 ABA 7 2HB ABU 7 -6.724 -1.250 3.934
50 HG1 ABA 7 1HG ABU 7 -6.428 -3.625 3.843
51 HG3 ABA 7 3HG ABU 7 -6.401 -3.585 2.084
52 HG2 ABA 7 2HG ABU 7 -5.081 -2.857 2.993
53 H ARG 8 H ARG 8 -7.101 0.602 -0.090
54 HA ARG 8 HA ARG 8 -8.223 2.793 1.437
55 HB2 ARG 8 2HB ARG 8 -7.795 2.362 -1.526
56 HB3 ARG 8 1HB ARG 8 -8.529 3.805 -0.849
57 HG2 ARG 8 2HG ARG 8 -6.460 4.306 0.353
58 HG3 ARG 8 1HG ARG 8 -5.735 2.828 -0.279
59 HD2 ARG 8 2HD ARG 8 -5.839 3.637 -2.505
60 HD3 ARG 8 1HD ARG 8 -6.800 5.037 -2.022
61 HE ARG 8 HE ARG 8 -4.652 5.466 -0.600
62 HH11 ARG 8 1HH1 ARG 8 -4.824 4.342 -3.951
63 HH12 ARG 8 2HH1 ARG 8 -3.426 5.148 -4.472
64 HH21 ARG 8 1HH2 ARG 8 -2.679 6.631 -1.314
65 HH22 ARG 8 2HH2 ARG 8 -2.189 6.492 -2.928
66 H ARG 9 H ARG 9 -10.067 2.142 2.278
67 HA ARG 9 HA ARG 9 -12.129 1.336 2.572
68 HB2 ARG 9 2HB ARG 9 -12.626 3.404 1.250
69 HB3 ARG 9 1HB ARG 9 -12.614 2.438 -0.216
70 HG2 ARG 9 2HG ARG 9 -14.521 1.142 0.615
71 HG3 ARG 9 1HG ARG 9 -14.529 2.105 2.089
72 HD2 ARG 9 2HD ARG 9 -14.980 3.158 -0.703
73 HD3 ARG 9 1HD ARG 9 -16.234 2.847 0.498
74 HE ARG 9 HE ARG 9 -14.147 4.658 1.330
75 HH11 ARG 9 1HH1 ARG 9 -17.373 4.385 -0.110
76 HH12 ARG 9 2HH1 ARG 9 -17.777 6.006 0.214
77 HH21 ARG 9 1HH2 ARG 9 -14.711 6.835 1.750
78 HH22 ARG 9 2HH2 ARG 9 -16.246 7.433 1.274
79 H GLY 10 H GLY 10 -10.764 -0.688 2.295
80 HA2 GLY 10 2HA GLY 10 -10.929 -2.895 1.927
81 HA3 GLY 10 1HA GLY 10 -12.367 -2.551 0.984
82 H VAL 11 H VAL 11 -10.374 -0.662 -0.607
83 HA VAL 11 HA VAL 11 -9.700 -2.751 -2.498
84 HB VAL 11 HB VAL 11 -9.570 0.255 -2.826
85 HG11 VAL 11 1HG1 VAL 11 -8.041 -0.910 -4.332
86 HG12 VAL 11 2HG1 VAL 11 -9.393 -0.237 -5.237
87 HG13 VAL 11 3HG1 VAL 11 -9.347 -1.962 -4.869
88 HG21 VAL 11 3HG2 VAL 11 -11.628 0.028 -4.121
89 HG22 VAL 11 1HG2 VAL 11 -11.856 -0.559 -2.476
90 HG23 VAL 11 2HG2 VAL 11 -11.654 -1.706 -3.802
91 H ABA 12 H ABU 12 -7.728 -3.604 -2.462
92 HA ABA 12 HA ABU 12 -5.654 -2.395 -0.991
93 HB3 ABA 12 1HB ABU 12 -4.467 -4.440 -1.749
94 HB2 ABA 12 2HB ABU 12 -5.921 -4.897 -2.614
95 HG1 ABA 12 1HG ABU 12 -5.803 -6.046 -0.490
96 HG3 ABA 12 3HG ABU 12 -5.686 -4.506 0.356
97 HG2 ABA 12 2HG ABU 12 -7.167 -4.928 -0.513
98 H ARG 13 H ARG 13 -4.336 -1.010 -1.782
99 HA ARG 13 HA ARG 13 -3.540 -1.155 -4.605
100 HB2 ARG 13 2HB ARG 13 -4.732 0.926 -4.093
101 HB3 ARG 13 1HB ARG 13 -3.687 1.212 -2.721
102 HG2 ARG 13 2HG ARG 13 -3.126 2.681 -4.578
103 HG3 ARG 13 1HG ARG 13 -1.795 1.591 -4.221
104 HD2 ARG 13 2HD ARG 13 -3.791 0.925 -6.361
105 HD3 ARG 13 1HD ARG 13 -2.475 2.050 -6.686
106 HE ARG 13 HE ARG 13 -1.129 -0.030 -5.736
107 HH11 ARG 13 1HH1 ARG 13 -3.792 -0.047 -8.077
108 HH12 ARG 13 2HH1 ARG 13 -3.148 -1.302 -9.007
109 HH21 ARG 13 1HH2 ARG 13 -0.221 -1.763 -7.044
110 HH22 ARG 13 2HH2 ARG 13 -1.076 -2.312 -8.402
111 H CYS 14 H CYS 14 -1.734 -2.309 -4.514
112 HA CYS 14 HA CYS 14 0.182 -1.835 -2.369
113 HB2 CYS 14 2HB CYS 14 0.251 -3.890 -4.583
114 HB3 CYS 14 1HB CYS 14 1.316 -3.815 -3.188
115 H VAL 15 H VAL 15 1.658 -0.502 -2.535
116 HA VAL 15 HA VAL 15 2.654 0.290 -5.180
117 HB VAL 15 HB VAL 15 2.981 1.758 -2.599
118 HG11 VAL 15 1HG1 VAL 15 4.578 2.378 -4.291
119 HG12 VAL 15 2HG1 VAL 15 3.476 3.715 -3.979
120 HG13 VAL 15 3HG1 VAL 15 3.274 2.734 -5.426
121 HG21 VAL 15 3HG2 VAL 15 0.808 2.235 -4.646
122 HG22 VAL 15 1HG2 VAL 15 1.151 3.301 -3.283
123 HG23 VAL 15 2HG2 VAL 15 0.585 1.655 -2.995
124 H ABA 16 H ABU 16 4.561 -0.477 -5.526
125 HA ABA 16 HA ABU 16 6.199 -1.564 -3.377
126 HB3 ABA 16 1HB ABU 16 7.621 -2.457 -5.207
127 HB2 ABA 16 2HB ABU 16 6.545 -1.701 -6.376
128 HG1 ABA 16 1HG ABU 16 5.780 -3.848 -4.415
129 HG3 ABA 16 3HG ABU 16 4.698 -3.085 -5.579
130 HG2 ABA 16 2HG ABU 16 6.054 -4.063 -6.142
131 H ARG 17 H ARG 17 7.103 0.054 -2.345
132 HA ARG 17 HA ARG 17 8.574 2.097 -3.850
133 HB2 ARG 17 2HB ARG 17 7.793 2.013 -0.941
134 HB3 ARG 17 1HB ARG 17 8.640 3.333 -1.723
135 HG2 ARG 17 2HG ARG 17 6.668 3.706 -3.154
136 HG3 ARG 17 1HG ARG 17 5.828 2.423 -2.270
137 HD2 ARG 17 2HD ARG 17 5.216 4.599 -1.376
138 HD3 ARG 17 1HD ARG 17 6.136 3.676 -0.188
139 HE ARG 17 HE ARG 17 7.709 5.431 -1.838
140 HH11 ARG 17 1HH1 ARG 17 6.016 5.099 1.247
141 HH12 ARG 17 2HH1 ARG 17 6.772 6.413 1.984
142 HH21 ARG 17 1HH2 ARG 17 8.767 7.221 -0.851
143 HH22 ARG 17 2HH2 ARG 17 8.419 7.649 0.765
144 H ARG 18 H ARG 18 10.548 1.394 -4.234
145 HA ARG 18 HA ARG 18 12.560 0.413 -4.070
146 HB2 ARG 18 2HB ARG 18 12.914 2.449 -2.724
147 HB3 ARG 18 1HB ARG 18 12.385 1.600 -1.282
148 HG2 ARG 18 2HG ARG 18 14.335 0.131 -1.431
149 HG3 ARG 18 1HG ARG 18 14.858 0.973 -2.889
150 HD2 ARG 18 2HD ARG 18 15.197 2.999 -1.698
151 HD3 ARG 18 1HD ARG 18 14.382 2.359 -0.276
152 HE ARG 18 HE ARG 18 16.272 0.852 0.012
153 HH11 ARG 18 1HH1 ARG 18 16.853 3.573 -2.182
154 HH12 ARG 18 2HH1 ARG 18 18.477 3.765 -1.720
155 HH21 ARG 18 1HH2 ARG 18 18.479 1.138 0.649
156 HH22 ARG 18 2HH2 ARG 18 19.421 2.363 -0.077
Start of MODEL 4
1 H1 GLY 1 H GLY 1 11.043 -0.725 -3.994
2 HA2 GLY 1 2HA GLY 1 11.358 -2.983 -4.154
3 HA3 GLY 1 1HA GLY 1 12.605 -2.814 -2.928
4 H VAL 2 H VAL 2 10.227 -1.319 -1.447
5 HA VAL 2 HA VAL 2 9.315 -3.734 -0.095
6 HB VAL 2 HB VAL 2 9.042 -0.831 0.742
7 HG11 VAL 2 1HG1 VAL 2 7.343 -2.273 1.756
8 HG12 VAL 2 2HG1 VAL 2 8.506 -1.716 2.961
9 HG13 VAL 2 3HG1 VAL 2 8.609 -3.357 2.333
10 HG21 VAL 2 3HG2 VAL 2 11.032 -2.900 1.670
11 HG22 VAL 2 1HG2 VAL 2 10.865 -1.269 2.315
12 HG23 VAL 2 2HG2 VAL 2 11.387 -1.506 0.649
13 H ABA 3 H ABU 3 7.382 -4.478 -0.610
14 HA ABA 3 HA ABU 3 5.568 -2.840 -2.157
15 HB3 ABA 3 1HB ABU 3 5.269 -5.716 -1.240
16 HB2 ABA 3 2HB ABU 3 5.967 -5.219 -2.780
17 HG1 ABA 3 1HG ABU 3 3.668 -5.958 -3.057
18 HG3 ABA 3 3HG ABU 3 3.124 -4.743 -1.900
19 HG2 ABA 3 2HG ABU 3 3.825 -4.245 -3.438
20 H ARG 4 H ARG 4 4.140 -1.636 -1.243
21 HA ARG 4 HA ARG 4 3.239 -2.233 1.484
22 HB2 ARG 4 2HB ARG 4 3.544 0.376 0.003
23 HB3 ARG 4 1HB ARG 4 2.694 0.229 1.531
24 HG2 ARG 4 2HG ARG 4 5.579 -0.536 1.142
25 HG3 ARG 4 1HG ARG 4 5.038 1.046 1.724
26 HD2 ARG 4 2HD ARG 4 4.447 -1.612 3.047
27 HD3 ARG 4 1HD ARG 4 5.667 -0.453 3.575
28 HE ARG 4 HE ARG 4 3.842 1.133 3.930
29 HH11 ARG 4 1HH1 ARG 4 3.093 -2.349 4.052
30 HH12 ARG 4 2HH1 ARG 4 1.649 -2.122 4.930
31 HH21 ARG 4 1HH2 ARG 4 1.871 1.394 5.171
32 HH22 ARG 4 2HH2 ARG 4 0.949 0.024 5.584
33 H CYS 5 H CYS 5 1.268 -3.033 1.531
34 HA CYS 5 HA CYS 5 -0.657 -2.237 -0.516
35 HB2 CYS 5 2HB CYS 5 -0.771 -4.511 1.473
36 HB3 CYS 5 1HB CYS 5 -1.924 -4.190 0.184
37 H VAL 6 H VAL 6 -2.102 -0.805 0.014
38 HA VAL 6 HA VAL 6 -2.792 -0.434 2.857
39 HB VAL 6 HB VAL 6 -2.878 1.676 0.687
40 HG11 VAL 6 1HG1 VAL 6 -3.179 3.274 2.493
41 HG12 VAL 6 2HG1 VAL 6 -3.125 1.963 3.672
42 HG13 VAL 6 3HG1 VAL 6 -4.454 2.049 2.514
43 HG21 VAL 6 3HG2 VAL 6 -0.902 2.704 1.767
44 HG22 VAL 6 1HG2 VAL 6 -0.554 1.108 1.099
45 HG23 VAL 6 2HG2 VAL 6 -0.790 1.300 2.833
46 H ABA 7 H ABU 7 -4.936 -0.433 3.296
47 HA ABA 7 HA ABU 7 -6.688 -1.172 1.076
48 HB3 ABA 7 1HB ABU 7 -7.202 -1.424 4.046
49 HB2 ABA 7 2HB ABU 7 -6.545 -2.713 3.046
50 HG1 ABA 7 1HG ABU 7 -8.596 -2.734 1.722
51 HG3 ABA 7 3HG ABU 7 -8.920 -3.027 3.433
52 HG2 ABA 7 2HG ABU 7 -9.257 -1.446 2.722
53 H ARG 8 H ARG 8 -7.320 0.623 0.186
54 HA ARG 8 HA ARG 8 -8.364 2.773 1.874
55 HB2 ARG 8 2HB ARG 8 -7.457 2.781 -1.007
56 HB3 ARG 8 1HB ARG 8 -8.131 4.176 -0.175
57 HG2 ARG 8 2HG ARG 8 -6.274 4.193 1.383
58 HG3 ARG 8 1HG ARG 8 -5.631 2.718 0.665
59 HD2 ARG 8 2HD ARG 8 -4.416 4.666 -0.124
60 HD3 ARG 8 1HD ARG 8 -5.280 3.883 -1.439
61 HE ARG 8 HE ARG 8 -6.487 6.180 -0.090
62 HH11 ARG 8 1HH1 ARG 8 -5.206 4.718 -3.034
63 HH12 ARG 8 2HH1 ARG 8 -5.479 6.060 -4.027
64 HH21 ARG 8 1HH2 ARG 8 -6.904 8.074 -1.470
65 HH22 ARG 8 2HH2 ARG 8 -6.478 8.013 -3.110
66 H ARG 9 H ARG 9 -10.359 2.233 2.284
67 HA ARG 9 HA ARG 9 -12.494 1.669 2.126
68 HB2 ARG 9 2HB ARG 9 -12.555 3.915 1.059
69 HB3 ARG 9 1HB ARG 9 -12.343 3.158 -0.509
70 HG2 ARG 9 2HG ARG 9 -14.475 1.984 -0.221
71 HG3 ARG 9 1HG ARG 9 -14.700 2.791 1.333
72 HD2 ARG 9 2HD ARG 9 -14.350 4.218 -1.284
73 HD3 ARG 9 1HD ARG 9 -15.916 3.813 -0.586
74 HE ARG 9 HE ARG 9 -14.890 5.159 1.399
75 HH11 ARG 9 1HH1 ARG 9 -14.597 5.921 -2.055
76 HH12 ARG 9 2HH1 ARG 9 -14.685 7.599 -1.855
77 HH21 ARG 9 1HH2 ARG 9 -15.064 7.520 1.682
78 HH22 ARG 9 2HH2 ARG 9 -14.944 8.524 0.310
79 H GLY 10 H GLY 10 -11.303 -0.460 1.783
80 HA2 GLY 10 2HA GLY 10 -11.794 -2.573 1.099
81 HA3 GLY 10 1HA GLY 10 -12.835 -1.850 -0.119
82 H VAL 11 H VAL 11 -10.479 -0.151 -1.084
83 HA VAL 11 HA VAL 11 -9.503 -2.177 -2.907
84 HB VAL 11 HB VAL 11 -8.947 0.813 -2.867
85 HG11 VAL 11 1HG1 VAL 11 -8.191 0.513 -5.179
86 HG12 VAL 11 2HG1 VAL 11 -8.455 -1.224 -5.049
87 HG13 VAL 11 3HG1 VAL 11 -7.216 -0.443 -4.060
88 HG21 VAL 11 3HG2 VAL 11 -11.301 0.382 -3.234
89 HG22 VAL 11 1HG2 VAL 11 -10.917 -0.779 -4.505
90 HG23 VAL 11 2HG2 VAL 11 -10.550 0.928 -4.732
91 H ABA 12 H ABU 12 -7.975 -3.381 -2.040
92 HA ABA 12 HA ABU 12 -5.900 -2.216 -0.402
93 HB3 ABA 12 1HB ABU 12 -6.216 -5.063 -1.407
94 HB2 ABA 12 2HB ABU 12 -6.812 -4.472 0.139
95 HG1 ABA 12 1HG ABU 12 -4.523 -4.011 0.853
96 HG3 ABA 12 3HG ABU 12 -4.736 -5.709 0.412
97 HG2 ABA 12 2HG ABU 12 -3.925 -4.601 -0.696
98 H ARG 13 H ARG 13 -4.747 -0.921 -1.586
99 HA ARG 13 HA ARG 13 -3.829 -1.745 -4.210
100 HB2 ARG 13 2HB ARG 13 -4.689 0.532 -4.006
101 HB3 ARG 13 1HB ARG 13 -3.504 0.888 -2.756
102 HG2 ARG 13 2HG ARG 13 -2.839 1.853 -4.900
103 HG3 ARG 13 1HG ARG 13 -1.691 0.612 -4.385
104 HD2 ARG 13 2HD ARG 13 -2.843 -1.011 -5.845
105 HD3 ARG 13 1HD ARG 13 -3.911 0.285 -6.389
106 HE ARG 13 HE ARG 13 -1.358 1.156 -6.887
107 HH11 ARG 13 1HH1 ARG 13 -3.332 -1.603 -7.862
108 HH12 ARG 13 2HH1 ARG 13 -2.596 -1.799 -9.373
109 HH21 ARG 13 1HH2 ARG 13 -0.335 0.903 -8.999
110 HH22 ARG 13 2HH2 ARG 13 -0.871 -0.338 -10.043
111 H CYS 14 H CYS 14 -2.018 -2.810 -4.370
112 HA CYS 14 HA CYS 14 0.061 -2.438 -2.364
113 HB2 CYS 14 2HB CYS 14 -0.247 -4.512 -4.540
114 HB3 CYS 14 1HB CYS 14 1.057 -4.463 -3.354
115 H VAL 15 H VAL 15 1.667 -1.173 -2.794
116 HA VAL 15 HA VAL 15 2.488 -0.794 -5.568
117 HB VAL 15 HB VAL 15 1.145 1.142 -4.939
118 HG11 VAL 15 1HG1 VAL 15 1.880 2.708 -3.175
119 HG12 VAL 15 2HG1 VAL 15 3.124 1.556 -2.701
120 HG13 VAL 15 3HG1 VAL 15 1.422 1.131 -2.533
121 HG21 VAL 15 3HG2 VAL 15 3.012 1.499 -6.464
122 HG22 VAL 15 1HG2 VAL 15 4.073 1.826 -5.097
123 HG23 VAL 15 2HG2 VAL 15 2.744 2.927 -5.466
124 H ABA 16 H ABU 16 4.644 -0.427 -5.838
125 HA ABA 16 HA ABU 16 6.262 -1.470 -3.661
126 HB3 ABA 16 1HB ABU 16 7.967 -1.834 -5.386
127 HB2 ABA 16 2HB ABU 16 6.917 -1.064 -6.576
128 HG1 ABA 16 1HG ABU 16 5.259 -2.820 -6.249
129 HG3 ABA 16 3HG ABU 16 6.809 -3.483 -6.761
130 HG2 ABA 16 2HG ABU 16 6.314 -3.600 -5.073
131 H ARG 17 H ARG 17 7.462 -0.229 -2.480
132 HA ARG 17 HA ARG 17 8.433 2.321 -3.545
133 HB2 ARG 17 2HB ARG 17 7.317 1.729 -0.807
134 HB3 ARG 17 1HB ARG 17 8.239 3.174 -1.188
135 HG2 ARG 17 2HG ARG 17 6.536 3.817 -2.814
136 HG3 ARG 17 1HG ARG 17 5.613 2.368 -2.402
137 HD2 ARG 17 2HD ARG 17 5.299 3.122 -0.161
138 HD3 ARG 17 1HD ARG 17 6.406 4.471 -0.406
139 HE ARG 17 HE ARG 17 4.317 4.558 -2.274
140 HH11 ARG 17 1HH1 ARG 17 4.895 5.116 1.164
141 HH12 ARG 17 2HH1 ARG 17 3.721 6.342 1.323
142 HH21 ARG 17 1HH2 ARG 17 2.730 6.229 -2.103
143 HH22 ARG 17 2HH2 ARG 17 2.431 6.992 -0.617
144 H ARG 18 H ARG 18 10.475 1.850 -3.890
145 HA ARG 18 HA ARG 18 12.645 1.379 -3.573
146 HB2 ARG 18 2HB ARG 18 12.298 3.042 -1.679
147 HB3 ARG 18 1HB ARG 18 12.040 1.686 -0.608
148 HG2 ARG 18 2HG ARG 18 14.284 2.620 -0.371
149 HG3 ARG 18 1HG ARG 18 14.338 0.955 -0.942
150 HD2 ARG 18 2HD ARG 18 15.944 2.445 -2.099
151 HD3 ARG 18 1HD ARG 18 14.799 1.683 -3.192
152 HE ARG 18 HE ARG 18 13.600 3.802 -3.227
153 HH11 ARG 18 1HH1 ARG 18 16.956 3.960 -2.074
154 HH12 ARG 18 2HH1 ARG 18 17.235 5.516 -2.683
155 HH21 ARG 18 1HH2 ARG 18 14.001 5.938 -4.072
156 HH22 ARG 18 2HH2 ARG 18 15.520 6.676 -3.830
Start of MODEL 5
1 H1 GLY 1 H GLY 1 10.799 -0.900 -4.351
2 HA2 GLY 1 2HA GLY 1 10.970 -3.184 -4.336
3 HA3 GLY 1 1HA GLY 1 12.295 -2.979 -3.200
4 H VAL 2 H VAL 2 10.122 -1.259 -1.689
5 HA VAL 2 HA VAL 2 9.227 -3.488 -0.074
6 HB VAL 2 HB VAL 2 8.982 -0.501 0.420
7 HG11 VAL 2 1HG1 VAL 2 8.509 -1.127 2.751
8 HG12 VAL 2 2HG1 VAL 2 8.565 -2.831 2.296
9 HG13 VAL 2 3HG1 VAL 2 7.307 -1.787 1.640
10 HG21 VAL 2 3HG2 VAL 2 10.990 -2.464 1.533
11 HG22 VAL 2 1HG2 VAL 2 10.834 -0.774 2.009
12 HG23 VAL 2 2HG2 VAL 2 11.327 -1.187 0.365
13 H ABA 3 H ABU 3 7.412 -4.365 -0.717
14 HA ABA 3 HA ABU 3 5.379 -2.758 -2.015
15 HB3 ABA 3 1HB ABU 3 5.438 -5.724 -1.395
16 HB2 ABA 3 2HB ABU 3 5.942 -5.013 -2.922
17 HG1 ABA 3 1HG ABU 3 3.157 -4.917 -1.774
18 HG3 ABA 3 3HG ABU 3 3.665 -4.217 -3.312
19 HG2 ABA 3 2HG ABU 3 3.707 -5.964 -3.081
20 H ARG 4 H ARG 4 4.137 -1.665 -0.712
21 HA ARG 4 HA ARG 4 3.290 -2.962 1.777
22 HB2 ARG 4 2HB ARG 4 4.671 -0.913 2.127
23 HB3 ARG 4 1HB ARG 4 3.466 0.016 1.247
24 HG2 ARG 4 2HG ARG 4 3.223 0.286 3.666
25 HG3 ARG 4 1HG ARG 4 1.803 -0.492 2.962
26 HD2 ARG 4 2HD ARG 4 2.476 -1.565 5.063
27 HD3 ARG 4 1HD ARG 4 2.613 -2.679 3.709
28 HE ARG 4 HE ARG 4 4.919 -1.231 4.840
29 HH11 ARG 4 1HH1 ARG 4 3.525 -4.285 3.636
30 HH12 ARG 4 2HH1 ARG 4 4.946 -5.175 3.871
31 HH21 ARG 4 1HH2 ARG 4 6.853 -2.489 5.174
32 HH22 ARG 4 2HH2 ARG 4 6.863 -4.147 4.782
33 H CYS 5 H CYS 5 1.225 -3.470 1.858
34 HA CYS 5 HA CYS 5 -0.544 -2.312 -0.144
35 HB2 CYS 5 2HB CYS 5 -0.982 -4.756 1.564
36 HB3 CYS 5 1HB CYS 5 -1.960 -4.194 0.207
37 H VAL 6 H VAL 6 -1.697 -0.778 0.377
38 HA VAL 6 HA VAL 6 -2.695 -0.446 3.140
39 HB VAL 6 HB VAL 6 -2.516 1.633 0.963
40 HG11 VAL 6 1HG1 VAL 6 -2.817 3.273 2.763
41 HG12 VAL 6 2HG1 VAL 6 -2.979 1.946 3.913
42 HG13 VAL 6 3HG1 VAL 6 -4.174 2.152 2.633
43 HG21 VAL 6 3HG2 VAL 6 -0.242 0.961 1.510
44 HG22 VAL 6 1HG2 VAL 6 -0.566 1.195 3.228
45 HG23 VAL 6 2HG2 VAL 6 -0.554 2.579 2.133
46 H ABA 7 H ABU 7 -4.869 -0.507 3.327
47 HA ABA 7 HA ABU 7 -6.363 -0.958 0.856
48 HB3 ABA 7 1HB ABU 7 -8.102 -1.954 2.312
49 HB2 ABA 7 2HB ABU 7 -7.062 -1.679 3.702
50 HG1 ABA 7 1HG ABU 7 -5.380 -3.164 2.749
51 HG3 ABA 7 3HG ABU 7 -6.927 -3.981 2.968
52 HG2 ABA 7 2HG ABU 7 -6.429 -3.455 1.361
53 H ARG 8 H ARG 8 -7.560 0.578 0.111
54 HA ARG 8 HA ARG 8 -8.740 2.475 1.992
55 HB2 ARG 8 2HB ARG 8 -7.379 3.079 -0.634
56 HB3 ARG 8 1HB ARG 8 -8.454 4.221 0.159
57 HG2 ARG 8 2HG ARG 8 -5.991 3.068 1.450
58 HG3 ARG 8 1HG ARG 8 -6.019 4.602 0.581
59 HD2 ARG 8 2HD ARG 8 -7.594 5.532 2.131
60 HD3 ARG 8 1HD ARG 8 -7.832 3.980 2.916
61 HE ARG 8 HE ARG 8 -5.630 4.133 3.788
62 HH11 ARG 8 1HH1 ARG 8 -6.766 7.171 2.342
63 HH12 ARG 8 2HH1 ARG 8 -5.887 8.168 3.396
64 HH21 ARG 8 1HH2 ARG 8 -4.425 5.522 5.236
65 HH22 ARG 8 2HH2 ARG 8 -4.510 7.211 5.063
66 H ARG 9 H ARG 9 -10.736 2.136 2.024
67 HA ARG 9 HA ARG 9 -12.851 1.685 1.549
68 HB2 ARG 9 2HB ARG 9 -12.519 3.802 0.146
69 HB3 ARG 9 1HB ARG 9 -12.324 2.751 -1.247
70 HG2 ARG 9 2HG ARG 9 -14.590 3.616 -1.162
71 HG3 ARG 9 1HG ARG 9 -14.601 1.871 -0.882
72 HD2 ARG 9 2HD ARG 9 -14.696 2.279 1.542
73 HD3 ARG 9 1HD ARG 9 -14.738 4.014 1.232
74 HE ARG 9 HE ARG 9 -16.821 2.835 -0.154
75 HH11 ARG 9 1HH1 ARG 9 -15.768 3.321 3.177
76 HH12 ARG 9 2HH1 ARG 9 -17.317 3.252 3.863
77 HH21 ARG 9 1HH2 ARG 9 -19.033 2.789 0.796
78 HH22 ARG 9 2HH2 ARG 9 -19.206 2.980 2.478
79 H GLY 10 H GLY 10 -11.253 -0.428 1.426
80 HA2 GLY 10 2HA GLY 10 -11.554 -2.632 0.937
81 HA3 GLY 10 1HA GLY 10 -12.729 -2.123 -0.266
82 H VAL 11 H VAL 11 -10.409 -0.233 -1.231
83 HA VAL 11 HA VAL 11 -9.444 -2.121 -3.192
84 HB VAL 11 HB VAL 11 -8.783 0.824 -2.925
85 HG11 VAL 11 1HG1 VAL 11 -8.239 0.687 -5.314
86 HG12 VAL 11 2HG1 VAL 11 -8.590 -1.039 -5.289
87 HG13 VAL 11 3HG1 VAL 11 -7.242 -0.401 -4.347
88 HG21 VAL 11 3HG2 VAL 11 -10.975 -0.446 -4.561
89 HG22 VAL 11 1HG2 VAL 11 -10.518 1.258 -4.584
90 HG23 VAL 11 2HG2 VAL 11 -11.201 0.553 -3.121
91 H ABA 12 H ABU 12 -7.763 -3.294 -2.660
92 HA ABA 12 HA ABU 12 -5.891 -2.426 -0.670
93 HB3 ABA 12 1HB ABU 12 -5.853 -4.864 -2.469
94 HB2 ABA 12 2HB ABU 12 -6.564 -4.803 -0.859
95 HG1 ABA 12 1HG ABU 12 -3.649 -4.409 -1.494
96 HG3 ABA 12 3HG ABU 12 -4.373 -4.382 0.114
97 HG2 ABA 12 2HG ABU 12 -4.376 -5.870 -0.829
98 H ARG 13 H ARG 13 -4.449 -0.988 -1.215
99 HA ARG 13 HA ARG 13 -3.411 -0.848 -3.939
100 HB2 ARG 13 2HB ARG 13 -3.119 0.990 -1.555
101 HB3 ARG 13 1HB ARG 13 -2.390 1.265 -3.126
102 HG2 ARG 13 2HG ARG 13 -5.349 1.100 -2.600
103 HG3 ARG 13 1HG ARG 13 -4.422 2.595 -2.740
104 HD2 ARG 13 2HD ARG 13 -3.737 1.919 -4.995
105 HD3 ARG 13 1HD ARG 13 -4.757 0.484 -4.865
106 HE ARG 13 HE ARG 13 -6.431 2.518 -4.329
107 HH11 ARG 13 1HH1 ARG 13 -4.198 1.887 -7.005
108 HH12 ARG 13 2HH1 ARG 13 -5.181 2.639 -8.167
109 HH21 ARG 13 1HH2 ARG 13 -7.740 3.608 -5.915
110 HH22 ARG 13 2HH2 ARG 13 -7.210 3.656 -7.534
111 H CYS 14 H CYS 14 -1.791 -2.370 -4.102
112 HA CYS 14 HA CYS 14 0.180 -2.357 -1.968
113 HB2 CYS 14 2HB CYS 14 -0.041 -4.141 -4.384
114 HB3 CYS 14 1HB CYS 14 1.189 -4.223 -3.118
115 H VAL 15 H VAL 15 1.524 -0.955 -2.068
116 HA VAL 15 HA VAL 15 2.299 0.183 -4.654
117 HB VAL 15 HB VAL 15 2.856 1.289 -1.929
118 HG11 VAL 15 1HG1 VAL 15 2.935 2.588 -4.639
119 HG12 VAL 15 2HG1 VAL 15 4.317 2.153 -3.637
120 HG13 VAL 15 3HG1 VAL 15 3.205 3.421 -3.108
121 HG21 VAL 15 3HG2 VAL 15 0.438 1.188 -2.179
122 HG22 VAL 15 1HG2 VAL 15 0.545 1.994 -3.743
123 HG23 VAL 15 2HG2 VAL 15 0.975 2.866 -2.271
124 H ABA 16 H ABU 16 4.151 -0.314 -5.353
125 HA ABA 16 HA ABU 16 6.130 -1.609 -3.643
126 HB3 ABA 16 1HB ABU 16 7.272 -2.170 -5.790
127 HB2 ABA 16 2HB ABU 16 5.989 -1.335 -6.659
128 HG1 ABA 16 1HG ABU 16 5.645 -3.791 -4.961
129 HG3 ABA 16 3HG ABU 16 4.358 -2.934 -5.806
130 HG2 ABA 16 2HG ABU 16 5.640 -3.725 -6.724
131 H ARG 17 H ARG 17 7.202 -0.074 -2.607
132 HA ARG 17 HA ARG 17 8.291 2.139 -4.204
133 HB2 ARG 17 2HB ARG 17 6.496 2.722 -2.523
134 HB3 ARG 17 1HB ARG 17 7.594 2.173 -1.269
135 HG2 ARG 17 2HG ARG 17 9.215 3.894 -2.006
136 HG3 ARG 17 1HG ARG 17 8.005 4.491 -3.147
137 HD2 ARG 17 2HD ARG 17 7.864 5.838 -1.177
138 HD3 ARG 17 1HD ARG 17 6.449 4.786 -1.209
139 HE ARG 17 HE ARG 17 8.843 4.148 0.358
140 HH11 ARG 17 1HH1 ARG 17 5.292 4.425 0.218
141 HH12 ARG 17 2HH1 ARG 17 5.091 4.021 1.861
142 HH21 ARG 17 1HH2 ARG 17 8.510 3.613 2.600
143 HH22 ARG 17 2HH2 ARG 17 6.938 3.534 3.217
144 H ARG 18 H ARG 18 10.390 1.712 -4.472
145 HA ARG 18 HA ARG 18 12.545 1.144 -4.109
146 HB2 ARG 18 2HB ARG 18 12.405 2.930 -2.406
147 HB3 ARG 18 1HB ARG 18 11.803 1.784 -1.229
148 HG2 ARG 18 2HG ARG 18 13.979 0.616 -1.314
149 HG3 ARG 18 1HG ARG 18 14.566 1.859 -2.420
150 HD2 ARG 18 2HD ARG 18 14.345 3.539 -0.801
151 HD3 ARG 18 1HD ARG 18 13.418 2.493 0.278
152 HE ARG 18 HE ARG 18 15.835 1.275 -0.151
153 HH11 ARG 18 1HH1 ARG 18 14.777 4.355 1.227
154 HH12 ARG 18 2HH1 ARG 18 15.976 4.396 2.434
155 HH21 ARG 18 1HH2 ARG 18 17.462 1.296 1.507
156 HH22 ARG 18 2HH2 ARG 18 17.551 2.611 2.588
Start of MODEL 6
1 H1 GLY 1 H GLY 1 10.731 -1.498 -4.666
2 HA2 GLY 1 2HA GLY 1 10.759 -3.767 -4.453
3 HA3 GLY 1 1HA GLY 1 12.113 -3.561 -3.349
4 H VAL 2 H VAL 2 10.593 -1.667 -1.626
5 HA VAL 2 HA VAL 2 9.325 -3.680 -0.025
6 HB VAL 2 HB VAL 2 9.609 -0.713 0.529
7 HG11 VAL 2 1HG1 VAL 2 9.285 -1.360 2.866
8 HG12 VAL 2 2HG1 VAL 2 9.071 -3.037 2.370
9 HG13 VAL 2 3HG1 VAL 2 7.901 -1.814 1.872
10 HG21 VAL 2 3HG2 VAL 2 11.802 -1.745 0.195
11 HG22 VAL 2 1HG2 VAL 2 11.402 -2.991 1.379
12 HG23 VAL 2 2HG2 VAL 2 11.555 -1.310 1.888
13 H ABA 3 H ABU 3 7.387 -4.230 -0.621
14 HA ABA 3 HA ABU 3 5.608 -2.389 -1.931
15 HB3 ABA 3 1HB ABU 3 5.251 -5.289 -1.177
16 HB2 ABA 3 2HB ABU 3 5.851 -4.705 -2.722
17 HG1 ABA 3 1HG ABU 3 3.538 -5.361 -2.897
18 HG3 ABA 3 3HG ABU 3 3.105 -4.237 -1.606
19 HG2 ABA 3 2HG ABU 3 3.710 -3.625 -3.151
20 H ARG 4 H ARG 4 4.271 -1.152 -0.909
21 HA ARG 4 HA ARG 4 3.402 -1.775 1.826
22 HB2 ARG 4 2HB ARG 4 3.255 0.800 0.246
23 HB3 ARG 4 1HB ARG 4 2.745 0.597 1.913
24 HG2 ARG 4 2HG ARG 4 5.556 0.350 0.863
25 HG3 ARG 4 1HG ARG 4 4.890 1.690 1.802
26 HD2 ARG 4 2HD ARG 4 4.453 0.122 3.660
27 HD3 ARG 4 1HD ARG 4 5.180 -1.156 2.687
28 HE ARG 4 HE ARG 4 6.975 0.955 2.891
29 HH11 ARG 4 1HH1 ARG 4 5.607 -1.659 4.848
30 HH12 ARG 4 2HH1 ARG 4 6.888 -1.720 5.951
31 HH21 ARG 4 1HH2 ARG 4 8.765 0.849 4.327
32 HH22 ARG 4 2HH2 ARG 4 8.777 -0.265 5.627
33 H CYS 5 H CYS 5 1.468 -2.724 1.940
34 HA CYS 5 HA CYS 5 -0.465 -2.146 -0.182
35 HB2 CYS 5 2HB CYS 5 -0.373 -4.427 1.777
36 HB3 CYS 5 1HB CYS 5 -1.593 -4.187 0.529
37 H VAL 6 H VAL 6 -1.943 -0.806 0.258
38 HA VAL 6 HA VAL 6 -2.856 -0.475 3.047
39 HB VAL 6 HB VAL 6 -2.924 1.640 0.885
40 HG11 VAL 6 1HG1 VAL 6 -3.380 3.203 2.717
41 HG12 VAL 6 2HG1 VAL 6 -3.361 1.853 3.855
42 HG13 VAL 6 3HG1 VAL 6 -4.600 1.930 2.599
43 HG21 VAL 6 3HG2 VAL 6 -1.060 2.761 2.057
44 HG22 VAL 6 1HG2 VAL 6 -0.585 1.189 1.415
45 HG23 VAL 6 2HG2 VAL 6 -0.922 1.372 3.134
46 H ABA 7 H ABU 7 -5.016 -0.627 3.339
47 HA ABA 7 HA ABU 7 -6.622 -1.213 0.953
48 HB3 ABA 7 1HB ABU 7 -6.970 -2.300 3.761
49 HB2 ABA 7 2HB ABU 7 -6.264 -3.182 2.413
50 HG1 ABA 7 1HG ABU 7 -8.397 -3.083 1.223
51 HG3 ABA 7 3HG ABU 7 -8.564 -3.867 2.796
52 HG2 ABA 7 2HG ABU 7 -9.103 -2.200 2.576
53 H ARG 8 H ARG 8 -7.686 0.571 0.522
54 HA ARG 8 HA ARG 8 -9.297 1.759 2.658
55 HB2 ARG 8 2HB ARG 8 -7.674 3.289 0.616
56 HB3 ARG 8 1HB ARG 8 -8.955 4.013 1.576
57 HG2 ARG 8 2HG ARG 8 -7.720 3.418 3.617
58 HG3 ARG 8 1HG ARG 8 -6.432 2.766 2.616
59 HD2 ARG 8 2HD ARG 8 -6.051 4.970 1.643
60 HD3 ARG 8 1HD ARG 8 -7.385 5.629 2.596
61 HE ARG 8 HE ARG 8 -5.408 4.313 4.171
62 HH11 ARG 8 1HH1 ARG 8 -6.102 7.432 2.622
63 HH12 ARG 8 2HH1 ARG 8 -5.273 8.328 3.809
64 HH21 ARG 8 1HH2 ARG 8 -4.257 5.543 5.715
65 HH22 ARG 8 2HH2 ARG 8 -4.170 7.245 5.585
66 H ARG 9 H ARG 9 -11.345 2.069 2.142
67 HA ARG 9 HA ARG 9 -13.294 2.012 1.035
68 HB2 ARG 9 2HB ARG 9 -12.261 4.047 -0.024
69 HB3 ARG 9 1HB ARG 9 -11.638 3.028 -1.303
70 HG2 ARG 9 2HG ARG 9 -13.910 2.555 -2.044
71 HG3 ARG 9 1HG ARG 9 -14.553 3.512 -0.706
72 HD2 ARG 9 2HD ARG 9 -12.752 4.562 -2.888
73 HD3 ARG 9 1HD ARG 9 -14.499 4.758 -2.843
74 HE ARG 9 HE ARG 9 -13.562 5.747 -0.447
75 HH11 ARG 9 1HH1 ARG 9 -13.037 6.538 -3.850
76 HH12 ARG 9 2HH1 ARG 9 -12.850 8.202 -3.589
77 HH21 ARG 9 1HH2 ARG 9 -13.274 8.036 -0.073
78 HH22 ARG 9 2HH2 ARG 9 -12.940 9.085 -1.374
79 H GLY 10 H GLY 10 -11.930 -0.290 1.266
80 HA2 GLY 10 2HA GLY 10 -12.105 -2.474 0.693
81 HA3 GLY 10 1HA GLY 10 -13.187 -1.939 -0.582
82 H VAL 11 H VAL 11 -10.308 -0.308 -0.991
83 HA VAL 11 HA VAL 11 -9.451 -2.217 -3.030
84 HB VAL 11 HB VAL 11 -8.756 0.723 -2.730
85 HG11 VAL 11 1HG1 VAL 11 -8.240 -1.168 -5.025
86 HG12 VAL 11 2HG1 VAL 11 -7.030 -0.529 -3.915
87 HG13 VAL 11 3HG1 VAL 11 -7.877 0.559 -5.014
88 HG21 VAL 11 3HG2 VAL 11 -10.712 -0.598 -4.617
89 HG22 VAL 11 1HG2 VAL 11 -10.258 1.106 -4.636
90 HG23 VAL 11 2HG2 VAL 11 -11.121 0.440 -3.250
91 H ABA 12 H ABU 12 -7.756 -3.421 -2.539
92 HA ABA 12 HA ABU 12 -5.880 -2.544 -0.473
93 HB3 ABA 12 1HB ABU 12 -6.101 -5.224 -1.888
94 HB2 ABA 12 2HB ABU 12 -6.838 -4.850 -0.334
95 HG1 ABA 12 1HG ABU 12 -4.793 -6.131 -0.045
96 HG3 ABA 12 3HG ABU 12 -3.880 -4.890 -0.903
97 HG2 ABA 12 2HG ABU 12 -4.627 -4.521 0.651
98 H ARG 13 H ARG 13 -4.730 -1.038 -1.526
99 HA ARG 13 HA ARG 13 -3.577 -1.623 -4.145
100 HB2 ARG 13 2HB ARG 13 -4.688 0.555 -3.775
101 HB3 ARG 13 1HB ARG 13 -3.520 0.923 -2.515
102 HG2 ARG 13 2HG ARG 13 -1.714 0.795 -4.206
103 HG3 ARG 13 1HG ARG 13 -2.940 0.540 -5.448
104 HD2 ARG 13 2HD ARG 13 -2.320 2.869 -5.432
105 HD3 ARG 13 1HD ARG 13 -3.959 2.707 -4.814
106 HE ARG 13 HE ARG 13 -1.978 2.697 -2.753
107 HH11 ARG 13 1HH1 ARG 13 -3.929 4.785 -4.814
108 HH12 ARG 13 2HH1 ARG 13 -3.880 6.124 -3.772
109 HH21 ARG 13 1HH2 ARG 13 -1.888 4.573 -1.288
110 HH22 ARG 13 2HH2 ARG 13 -2.725 5.983 -1.707
111 H CYS 14 H CYS 14 -1.603 -2.402 -4.283
112 HA CYS 14 HA CYS 14 0.229 -1.993 -2.045
113 HB2 CYS 14 2HB CYS 14 0.255 -4.072 -4.231
114 HB3 CYS 14 1HB CYS 14 1.452 -3.930 -2.958
115 H VAL 15 H VAL 15 1.738 -0.618 -2.304
116 HA VAL 15 HA VAL 15 2.525 0.187 -5.027
117 HB VAL 15 HB VAL 15 2.843 1.857 -2.546
118 HG11 VAL 15 1HG1 VAL 15 2.996 3.718 -4.133
119 HG12 VAL 15 2HG1 VAL 15 2.836 2.577 -5.464
120 HG13 VAL 15 3HG1 VAL 15 4.242 2.498 -4.395
121 HG21 VAL 15 3HG2 VAL 15 0.518 1.933 -4.469
122 HG22 VAL 15 1HG2 VAL 15 0.820 3.111 -3.191
123 HG23 VAL 15 2HG2 VAL 15 0.459 1.436 -2.777
124 H ABA 16 H ABU 16 4.592 -0.043 -5.500
125 HA ABA 16 HA ABU 16 6.330 -1.294 -3.557
126 HB3 ABA 16 1HB ABU 16 6.705 -0.778 -6.509
127 HB2 ABA 16 2HB ABU 16 6.128 -2.275 -5.790
128 HG1 ABA 16 1HG ABU 16 8.467 -2.438 -6.447
129 HG3 ABA 16 3HG ABU 16 8.858 -1.082 -5.389
130 HG2 ABA 16 2HG ABU 16 8.272 -2.599 -4.702
131 H ARG 17 H ARG 17 7.576 -0.086 -2.313
132 HA ARG 17 HA ARG 17 8.754 2.363 -3.435
133 HB2 ARG 17 2HB ARG 17 8.428 1.513 -0.538
134 HB3 ARG 17 1HB ARG 17 9.132 3.027 -1.089
135 HG2 ARG 17 2HG ARG 17 6.267 2.171 -1.444
136 HG3 ARG 17 1HG ARG 17 6.867 3.358 -0.281
137 HD2 ARG 17 2HD ARG 17 7.627 4.776 -2.125
138 HD3 ARG 17 1HD ARG 17 7.059 3.578 -3.286
139 HE ARG 17 HE ARG 17 5.029 4.422 -1.501
140 HH11 ARG 17 1HH1 ARG 17 6.738 5.315 -4.469
141 HH12 ARG 17 2HH1 ARG 17 5.474 6.229 -5.120
142 HH21 ARG 17 1HH2 ARG 17 3.226 5.685 -2.426
143 HH22 ARG 17 2HH2 ARG 17 3.445 6.455 -3.922
144 H ARG 18 H ARG 18 10.497 1.549 -4.403
145 HA ARG 18 HA ARG 18 12.359 0.367 -4.863
146 HB2 ARG 18 2HB ARG 18 13.196 2.221 -3.398
147 HB3 ARG 18 1HB ARG 18 13.115 1.116 -2.027
148 HG2 ARG 18 2HG ARG 18 14.722 -0.357 -3.117
149 HG3 ARG 18 1HG ARG 18 14.820 0.755 -4.480
150 HD2 ARG 18 2HD ARG 18 15.668 2.494 -2.976
151 HD3 ARG 18 1HD ARG 18 15.582 1.353 -1.629
152 HE ARG 18 HE ARG 18 17.045 0.134 -3.592
153 HH11 ARG 18 1HH1 ARG 18 17.396 3.026 -1.546
154 HH12 ARG 18 2HH1 ARG 18 19.082 3.036 -1.588
155 HH21 ARG 18 1HH2 ARG 18 19.404 0.140 -3.631
156 HH22 ARG 18 2HH2 ARG 18 20.257 1.344 -2.793
Start of MODEL 7
1 H1 GLY 1 H GLY 1 11.035 -2.345 -4.464
2 HA2 GLY 1 2HA GLY 1 11.110 -4.467 -3.582
3 HA3 GLY 1 1HA GLY 1 12.448 -3.912 -2.593
4 H VAL 2 H VAL 2 10.665 -1.547 -1.746
5 HA VAL 2 HA VAL 2 9.486 -2.970 0.495
6 HB VAL 2 HB VAL 2 9.739 0.020 0.023
7 HG11 VAL 2 1HG1 VAL 2 9.301 0.243 2.427
8 HG12 VAL 2 2HG1 VAL 2 9.070 -1.501 2.547
9 HG13 VAL 2 3HG1 VAL 2 7.952 -0.527 1.592
10 HG21 VAL 2 3HG2 VAL 2 11.931 -1.043 0.171
11 HG22 VAL 2 1HG2 VAL 2 11.465 -1.818 1.685
12 HG23 VAL 2 2HG2 VAL 2 11.616 -0.063 1.604
13 H ABA 3 H ABU 3 7.492 -3.689 0.190
14 HA ABA 3 HA ABU 3 5.662 -2.112 -1.476
15 HB3 ABA 3 1HB ABU 3 5.536 -5.050 -0.763
16 HB2 ABA 3 2HB ABU 3 6.127 -4.409 -2.291
17 HG1 ABA 3 1HG ABU 3 3.920 -3.520 -2.798
18 HG3 ABA 3 3HG ABU 3 3.831 -5.253 -2.472
19 HG2 ABA 3 2HG ABU 3 3.322 -4.096 -1.245
20 H ARG 4 H ARG 4 3.962 -1.230 -0.581
21 HA ARG 4 HA ARG 4 3.022 -2.218 2.018
22 HB2 ARG 4 2HB ARG 4 4.199 -0.119 2.395
23 HB3 ARG 4 1HB ARG 4 3.284 0.654 1.112
24 HG2 ARG 4 2HG ARG 4 1.238 0.437 2.385
25 HG3 ARG 4 1HG ARG 4 2.096 -0.446 3.645
26 HD2 ARG 4 2HD ARG 4 2.693 2.387 2.826
27 HD3 ARG 4 1HD ARG 4 1.696 1.924 4.205
28 HE ARG 4 HE ARG 4 4.229 0.677 4.305
29 HH11 ARG 4 1HH1 ARG 4 2.647 3.788 4.857
30 HH12 ARG 4 2HH1 ARG 4 3.760 4.321 6.029
31 HH21 ARG 4 1HH2 ARG 4 5.777 1.409 5.937
32 HH22 ARG 4 2HH2 ARG 4 5.560 2.920 6.677
33 H CYS 5 H CYS 5 0.956 -2.830 1.935
34 HA CYS 5 HA CYS 5 -0.661 -1.866 -0.296
35 HB2 CYS 5 2HB CYS 5 -0.979 -4.341 1.384
36 HB3 CYS 5 1HB CYS 5 -2.019 -3.862 0.048
37 H VAL 6 H VAL 6 -2.082 -0.466 0.101
38 HA VAL 6 HA VAL 6 -3.087 -0.140 2.836
39 HB VAL 6 HB VAL 6 -3.370 1.732 0.513
40 HG11 VAL 6 1HG1 VAL 6 -3.897 3.442 2.219
41 HG12 VAL 6 2HG1 VAL 6 -3.800 2.192 3.458
42 HG13 VAL 6 3HG1 VAL 6 -5.037 2.097 2.208
43 HG21 VAL 6 3HG2 VAL 6 -0.992 1.512 1.009
44 HG22 VAL 6 1HG2 VAL 6 -1.294 1.861 2.707
45 HG23 VAL 6 2HG2 VAL 6 -1.560 3.110 1.491
46 H ABA 7 H ABU 7 -5.033 -0.751 3.157
47 HA ABA 7 HA ABU 7 -6.741 -1.471 0.886
48 HB3 ABA 7 1HB ABU 7 -7.078 -2.222 3.806
49 HB2 ABA 7 2HB ABU 7 -6.293 -3.241 2.604
50 HG1 ABA 7 1HG ABU 7 -9.170 -2.367 2.554
51 HG3 ABA 7 3HG ABU 7 -8.382 -3.385 1.352
52 HG2 ABA 7 2HG ABU 7 -8.577 -3.968 3.005
53 H ARG 8 H ARG 8 -7.571 0.399 0.315
54 HA ARG 8 HA ARG 8 -8.893 1.992 2.371
55 HB2 ARG 8 2HB ARG 8 -8.855 3.868 0.708
56 HB3 ARG 8 1HB ARG 8 -7.271 3.324 1.227
57 HG2 ARG 8 2HG ARG 8 -6.998 2.089 -0.861
58 HG3 ARG 8 1HG ARG 8 -8.608 2.589 -1.373
59 HD2 ARG 8 2HD ARG 8 -6.872 3.950 -2.409
60 HD3 ARG 8 1HD ARG 8 -7.899 4.924 -1.357
61 HE ARG 8 HE ARG 8 -6.046 4.652 0.321
62 HH11 ARG 8 1HH1 ARG 8 -5.405 4.699 -3.166
63 HH12 ARG 8 2HH1 ARG 8 -3.778 5.186 -2.977
64 HH21 ARG 8 1HH2 ARG 8 -3.888 5.396 0.535
65 HH22 ARG 8 2HH2 ARG 8 -2.894 5.616 -0.843
66 H ARG 9 H ARG 9 -10.824 1.305 2.628
67 HA ARG 9 HA ARG 9 -12.986 0.841 2.345
68 HB2 ARG 9 2HB ARG 9 -12.784 3.238 1.572
69 HB3 ARG 9 1HB ARG 9 -12.754 2.640 -0.070
70 HG2 ARG 9 2HG ARG 9 -15.019 1.871 0.100
71 HG3 ARG 9 1HG ARG 9 -15.053 2.214 1.835
72 HD2 ARG 9 2HD ARG 9 -14.705 4.244 -0.367
73 HD3 ARG 9 1HD ARG 9 -16.169 3.988 0.589
74 HE ARG 9 HE ARG 9 -14.500 4.475 2.526
75 HH11 ARG 9 1HH1 ARG 9 -14.715 6.198 -0.572
76 HH12 ARG 9 2HH1 ARG 9 -14.086 7.657 0.019
77 HH21 ARG 9 1HH2 ARG 9 -13.627 6.510 3.353
78 HH22 ARG 9 2HH2 ARG 9 -13.475 7.847 2.319
79 H GLY 10 H GLY 10 -11.465 -1.160 1.442
80 HA2 GLY 10 2HA GLY 10 -12.144 -3.166 0.481
81 HA3 GLY 10 1HA GLY 10 -13.121 -2.198 -0.617
82 H VAL 11 H VAL 11 -10.680 -0.442 -1.125
83 HA VAL 11 HA VAL 11 -9.604 -2.174 -3.215
84 HB VAL 11 HB VAL 11 -9.224 0.811 -2.845
85 HG11 VAL 11 1HG1 VAL 11 -8.616 -0.976 -5.199
86 HG12 VAL 11 2HG1 VAL 11 -7.429 -0.212 -4.140
87 HG13 VAL 11 3HG1 VAL 11 -8.458 0.779 -5.175
88 HG21 VAL 11 3HG2 VAL 11 -11.093 -0.681 -4.675
89 HG22 VAL 11 1HG2 VAL 11 -10.847 1.067 -4.670
90 HG23 VAL 11 2HG2 VAL 11 -11.556 0.270 -3.263
91 H ABA 12 H ABU 12 -7.819 -3.236 -2.752
92 HA ABA 12 HA ABU 12 -5.949 -2.145 -0.807
93 HB3 ABA 12 1HB ABU 12 -6.024 -4.867 -2.142
94 HB2 ABA 12 2HB ABU 12 -6.690 -4.508 -0.556
95 HG1 ABA 12 1HG ABU 12 -3.788 -4.320 -1.319
96 HG3 ABA 12 3HG ABU 12 -4.463 -3.962 0.270
97 HG2 ABA 12 2HG ABU 12 -4.537 -5.605 -0.367
98 H ARG 13 H ARG 13 -4.807 -0.658 -1.798
99 HA ARG 13 HA ARG 13 -3.655 -1.294 -4.411
100 HB2 ARG 13 2HB ARG 13 -5.010 0.812 -4.187
101 HB3 ARG 13 1HB ARG 13 -3.830 1.400 -3.030
102 HG2 ARG 13 2HG ARG 13 -3.511 2.369 -5.258
103 HG3 ARG 13 1HG ARG 13 -2.115 1.424 -4.745
104 HD2 ARG 13 2HD ARG 13 -2.687 1.019 -7.097
105 HD3 ARG 13 1HD ARG 13 -2.835 -0.445 -6.136
106 HE ARG 13 HE ARG 13 -5.172 1.208 -6.884
107 HH11 ARG 13 1HH1 ARG 13 -3.619 -1.973 -6.674
108 HH12 ARG 13 2HH1 ARG 13 -4.944 -2.804 -7.333
109 HH21 ARG 13 1HH2 ARG 13 -6.964 0.020 -7.854
110 HH22 ARG 13 2HH2 ARG 13 -6.843 -1.679 -8.037
111 H CYS 14 H CYS 14 -1.523 -1.729 -4.533
112 HA CYS 14 HA CYS 14 0.022 -1.396 -2.080
113 HB2 CYS 14 2HB CYS 14 0.455 -3.292 -4.375
114 HB3 CYS 14 1HB CYS 14 1.391 -3.233 -2.886
115 H VAL 15 H VAL 15 1.595 -0.075 -2.032
116 HA VAL 15 HA VAL 15 2.668 1.011 -4.543
117 HB VAL 15 HB VAL 15 3.183 1.965 -1.728
118 HG11 VAL 15 1HG1 VAL 15 3.924 4.056 -2.790
119 HG12 VAL 15 2HG1 VAL 15 3.628 3.338 -4.372
120 HG13 VAL 15 3HG1 VAL 15 4.869 2.663 -3.317
121 HG21 VAL 15 3HG2 VAL 15 1.568 3.792 -2.132
122 HG22 VAL 15 1HG2 VAL 15 0.797 2.206 -2.154
123 HG23 VAL 15 2HG2 VAL 15 1.137 3.047 -3.669
124 H ABA 16 H ABU 16 4.650 0.425 -5.073
125 HA ABA 16 HA ABU 16 6.246 -1.029 -3.090
126 HB3 ABA 16 1HB ABU 16 5.963 -1.716 -6.029
127 HB2 ABA 16 2HB ABU 16 5.233 -2.613 -4.702
128 HG1 ABA 16 1HG ABU 16 7.444 -3.191 -3.859
129 HG3 ABA 16 3HG ABU 16 7.239 -3.716 -5.531
130 HG2 ABA 16 2HG ABU 16 8.184 -2.275 -5.169
131 H ARG 17 H ARG 17 7.982 0.075 -2.702
132 HA ARG 17 HA ARG 17 9.221 1.446 -4.957
133 HB2 ARG 17 2HB ARG 17 8.078 3.061 -3.430
134 HB3 ARG 17 1HB ARG 17 9.163 2.532 -2.145
135 HG2 ARG 17 2HG ARG 17 11.085 3.264 -3.464
136 HG3 ARG 17 1HG ARG 17 9.997 3.802 -4.739
137 HD2 ARG 17 2HD ARG 17 10.630 5.699 -3.444
138 HD3 ARG 17 1HD ARG 17 8.941 5.336 -3.095
139 HE ARG 17 HE ARG 17 10.497 4.032 -1.211
140 HH11 ARG 17 1HH1 ARG 17 9.683 7.334 -2.154
141 HH12 ARG 17 2HH1 ARG 17 9.996 8.007 -0.620
142 HH21 ARG 17 1HH2 ARG 17 10.945 4.970 0.921
143 HH22 ARG 17 2HH2 ARG 17 10.746 6.652 1.142
144 H ARG 18 H ARG 18 10.942 0.388 -5.374
145 HA ARG 18 HA ARG 18 12.865 -0.727 -5.268
146 HB2 ARG 18 2HB ARG 18 13.561 1.533 -4.518
147 HB3 ARG 18 1HB ARG 18 13.320 1.043 -2.852
148 HG2 ARG 18 2HG ARG 18 15.155 -0.496 -2.973
149 HG3 ARG 18 1HG ARG 18 15.299 -0.237 -4.717
150 HD2 ARG 18 2HD ARG 18 15.670 1.897 -2.632
151 HD3 ARG 18 1HD ARG 18 16.994 1.017 -3.403
152 HE ARG 18 HE ARG 18 15.716 1.936 -5.515
153 HH11 ARG 18 1HH1 ARG 18 16.607 3.682 -2.554
154 HH12 ARG 18 2HH1 ARG 18 16.833 5.177 -3.349
155 HH21 ARG 18 1HH2 ARG 18 16.004 4.005 -6.575
156 HH22 ARG 18 2HH2 ARG 18 16.481 5.366 -5.674
Start of MODEL 8
1 H1 GLY 1 H GLY 1 11.110 -1.306 -4.502
2 HA2 GLY 1 2HA GLY 1 11.565 -3.486 -4.028
3 HA3 GLY 1 1HA GLY 1 12.760 -2.902 -2.879
4 H VAL 2 H VAL 2 10.377 -1.132 -1.806
5 HA VAL 2 HA VAL 2 9.429 -3.255 -0.039
6 HB VAL 2 HB VAL 2 9.311 -0.249 0.349
7 HG11 VAL 2 1HG1 VAL 2 7.461 -1.395 1.481
8 HG12 VAL 2 2HG1 VAL 2 8.618 -0.757 2.647
9 HG13 VAL 2 3HG1 VAL 2 8.608 -2.482 2.262
10 HG21 VAL 2 3HG2 VAL 2 11.576 -1.188 0.446
11 HG22 VAL 2 1HG2 VAL 2 11.052 -2.316 1.692
12 HG23 VAL 2 2HG2 VAL 2 11.049 -0.581 2.018
13 H ABA 3 H ABU 3 7.623 -4.142 -0.683
14 HA ABA 3 HA ABU 3 5.549 -2.521 -1.931
15 HB3 ABA 3 1HB ABU 3 5.711 -5.522 -1.533
16 HB2 ABA 3 2HB ABU 3 6.194 -4.682 -3.002
17 HG1 ABA 3 1HG ABU 3 3.894 -3.924 -3.328
18 HG3 ABA 3 3HG ABU 3 4.001 -5.679 -3.259
19 HG2 ABA 3 2HG ABU 3 3.406 -4.780 -1.866
20 H ARG 4 H ARG 4 3.830 -1.898 -0.843
21 HA ARG 4 HA ARG 4 3.185 -3.197 1.695
22 HB2 ARG 4 2HB ARG 4 4.573 -1.172 2.079
23 HB3 ARG 4 1HB ARG 4 3.375 -0.222 1.226
24 HG2 ARG 4 2HG ARG 4 1.794 -0.461 2.942
25 HG3 ARG 4 1HG ARG 4 2.691 -1.792 3.686
26 HD2 ARG 4 2HD ARG 4 3.638 1.070 3.488
27 HD3 ARG 4 1HD ARG 4 3.013 0.288 4.949
28 HE ARG 4 HE ARG 4 5.026 -1.332 4.082
29 HH11 ARG 4 1HH1 ARG 4 4.875 2.080 5.110
30 HH12 ARG 4 2HH1 ARG 4 6.486 2.099 5.674
31 HH21 ARG 4 1HH2 ARG 4 7.261 -1.252 4.887
32 HH22 ARG 4 2HH2 ARG 4 7.831 0.213 5.545
33 H CYS 5 H CYS 5 1.130 -3.721 1.759
34 HA CYS 5 HA CYS 5 -0.709 -2.519 -0.178
35 HB2 CYS 5 2HB CYS 5 -0.880 -5.161 1.266
36 HB3 CYS 5 1HB CYS 5 -1.990 -4.575 0.036
37 H VAL 6 H VAL 6 -2.140 -1.220 0.490
38 HA VAL 6 HA VAL 6 -3.162 -1.441 3.239
39 HB VAL 6 HB VAL 6 -2.767 1.144 1.714
40 HG11 VAL 6 1HG1 VAL 6 -3.475 0.640 4.587
41 HG12 VAL 6 2HG1 VAL 6 -4.558 1.218 3.319
42 HG13 VAL 6 3HG1 VAL 6 -3.215 2.225 3.859
43 HG21 VAL 6 3HG2 VAL 6 -0.908 1.669 3.221
44 HG22 VAL 6 1HG2 VAL 6 -0.566 0.230 2.262
45 HG23 VAL 6 2HG2 VAL 6 -1.046 0.063 3.951
46 H ABA 7 H ABU 7 -5.360 -1.335 3.313
47 HA ABA 7 HA ABU 7 -6.727 -1.303 0.788
48 HB3 ABA 7 1HB ABU 7 -7.495 -3.004 2.289
49 HB2 ABA 7 2HB ABU 7 -8.782 -1.823 2.137
50 HG1 ABA 7 1HG ABU 7 -8.593 -2.546 4.423
51 HG3 ABA 7 3HG ABU 7 -6.894 -2.073 4.458
52 HG2 ABA 7 2HG ABU 7 -8.146 -0.842 4.283
53 H ARG 8 H ARG 8 -7.423 0.361 -0.130
54 HA ARG 8 HA ARG 8 -8.137 2.745 1.438
55 HB2 ARG 8 2HB ARG 8 -7.169 2.570 -1.428
56 HB3 ARG 8 1HB ARG 8 -7.566 4.044 -0.566
57 HG2 ARG 8 2HG ARG 8 -5.301 2.176 0.115
58 HG3 ARG 8 1HG ARG 8 -5.145 3.698 -0.754
59 HD2 ARG 8 2HD ARG 8 -6.014 4.892 1.200
60 HD3 ARG 8 1HD ARG 8 -6.129 3.360 2.076
61 HE ARG 8 HE ARG 8 -3.531 3.647 1.112
62 HH11 ARG 8 1HH1 ARG 8 -5.629 5.156 3.544
63 HH12 ARG 8 2HH1 ARG 8 -4.334 5.638 4.542
64 HH21 ARG 8 1HH2 ARG 8 -1.800 4.270 2.470
65 HH22 ARG 8 2HH2 ARG 8 -2.082 5.058 3.947
66 H ARG 9 H ARG 9 -10.257 2.791 1.557
67 HA ARG 9 HA ARG 9 -12.431 2.639 1.136
68 HB2 ARG 9 2HB ARG 9 -11.764 4.417 -0.501
69 HB3 ARG 9 1HB ARG 9 -11.625 3.184 -1.740
70 HG2 ARG 9 2HG ARG 9 -13.987 2.753 -1.653
71 HG3 ARG 9 1HG ARG 9 -14.173 3.832 -0.268
72 HD2 ARG 9 2HD ARG 9 -13.238 4.659 -3.017
73 HD3 ARG 9 1HD ARG 9 -14.862 4.906 -2.372
74 HE ARG 9 HE ARG 9 -12.907 6.010 -0.638
75 HH11 ARG 9 1HH1 ARG 9 -14.494 6.672 -3.723
76 HH12 ARG 9 2HH1 ARG 9 -14.377 8.360 -3.586
77 HH21 ARG 9 1HH2 ARG 9 -12.737 8.319 -0.446
78 HH22 ARG 9 2HH2 ARG 9 -13.375 9.313 -1.683
79 H GLY 10 H GLY 10 -11.288 0.296 1.460
80 HA2 GLY 10 2HA GLY 10 -11.866 -1.869 1.389
81 HA3 GLY 10 1HA GLY 10 -13.062 -1.443 0.180
82 H VAL 11 H VAL 11 -10.309 -0.260 -1.106
83 HA VAL 11 HA VAL 11 -9.874 -2.750 -2.595
84 HB VAL 11 HB VAL 11 -9.114 0.081 -3.319
85 HG11 VAL 11 1HG1 VAL 11 -7.615 -1.500 -4.367
86 HG12 VAL 11 2HG1 VAL 11 -8.705 -0.838 -5.587
87 HG13 VAL 11 3HG1 VAL 11 -8.975 -2.458 -4.949
88 HG21 VAL 11 3HG2 VAL 11 -10.916 -0.016 -4.981
89 HG22 VAL 11 1HG2 VAL 11 -11.537 -0.202 -3.343
90 HG23 VAL 11 2HG2 VAL 11 -11.372 -1.613 -4.391
91 H ABA 12 H ABU 12 -8.057 -3.837 -2.235
92 HA ABA 12 HA ABU 12 -6.057 -2.818 -0.471
93 HB3 ABA 12 1HB ABU 12 -6.047 -5.319 -2.182
94 HB2 ABA 12 2HB ABU 12 -6.666 -5.223 -0.538
95 HG1 ABA 12 1HG ABU 12 -4.462 -6.229 -0.571
96 HG3 ABA 12 3HG ABU 12 -3.804 -4.800 -1.366
97 HG2 ABA 12 2HG ABU 12 -4.426 -4.683 0.278
98 H ARG 13 H ARG 13 -4.829 -1.213 -1.215
99 HA ARG 13 HA ARG 13 -3.810 -1.361 -3.938
100 HB2 ARG 13 2HB ARG 13 -3.925 0.910 -1.960
101 HB3 ARG 13 1HB ARG 13 -3.053 1.006 -3.477
102 HG2 ARG 13 2HG ARG 13 -5.159 0.606 -4.685
103 HG3 ARG 13 1HG ARG 13 -6.015 0.574 -3.140
104 HD2 ARG 13 2HD ARG 13 -6.198 2.772 -4.210
105 HD3 ARG 13 1HD ARG 13 -5.311 2.870 -2.694
106 HE ARG 13 HE ARG 13 -3.598 2.504 -4.935
107 HH11 ARG 13 1HH1 ARG 13 -5.454 5.042 -3.247
108 HH12 ARG 13 2HH1 ARG 13 -4.375 6.280 -3.656
109 HH21 ARG 13 1HH2 ARG 13 -2.156 4.266 -5.516
110 HH22 ARG 13 2HH2 ARG 13 -2.482 5.842 -4.971
111 H CYS 14 H CYS 14 -1.902 -2.189 -4.189
112 HA CYS 14 HA CYS 14 -0.017 -2.158 -1.965
113 HB2 CYS 14 2HB CYS 14 0.007 -3.758 -4.519
114 HB3 CYS 14 1HB CYS 14 1.162 -3.894 -3.196
115 H VAL 15 H VAL 15 1.451 -0.743 -1.947
116 HA VAL 15 HA VAL 15 2.265 0.543 -4.466
117 HB VAL 15 HB VAL 15 2.683 1.536 -1.643
118 HG11 VAL 15 1HG1 VAL 15 3.202 3.696 -2.669
119 HG12 VAL 15 2HG1 VAL 15 2.988 2.978 -4.268
120 HG13 VAL 15 3HG1 VAL 15 4.284 2.417 -3.225
121 HG21 VAL 15 3HG2 VAL 15 0.539 2.387 -3.592
122 HG22 VAL 15 1HG2 VAL 15 0.875 3.174 -2.050
123 HG23 VAL 15 2HG2 VAL 15 0.286 1.510 -2.083
124 H ABA 16 H ABU 16 4.340 0.335 -5.022
125 HA ABA 16 HA ABU 16 6.114 -1.098 -3.173
126 HB3 ABA 16 1HB ABU 16 6.091 -1.254 -6.199
127 HB2 ABA 16 2HB ABU 16 5.411 -2.476 -5.135
128 HG1 ABA 16 1HG ABU 16 8.312 -1.686 -5.268
129 HG3 ABA 16 3HG ABU 16 7.629 -2.920 -4.211
130 HG2 ABA 16 2HG ABU 16 7.598 -3.144 -5.961
131 H ARG 17 H ARG 17 7.548 0.228 -2.445
132 HA ARG 17 HA ARG 17 8.653 2.252 -4.261
133 HB2 ARG 17 2HB ARG 17 8.181 2.501 -1.300
134 HB3 ARG 17 1HB ARG 17 9.053 3.671 -2.279
135 HG2 ARG 17 2HG ARG 17 7.009 4.016 -3.604
136 HG3 ARG 17 1HG ARG 17 6.169 2.904 -2.522
137 HD2 ARG 17 2HD ARG 17 6.662 4.351 -0.638
138 HD3 ARG 17 1HD ARG 17 7.533 5.449 -1.713
139 HE ARG 17 HE ARG 17 5.211 5.462 -2.889
140 HH11 ARG 17 1HH1 ARG 17 5.879 5.572 0.582
141 HH12 ARG 17 2HH1 ARG 17 4.482 6.444 0.970
142 HH21 ARG 17 1HH2 ARG 17 3.352 6.694 -2.394
143 HH22 ARG 17 2HH2 ARG 17 2.979 7.128 -0.785
144 H ARG 18 H ARG 18 10.459 1.440 -4.856
145 HA ARG 18 HA ARG 18 12.580 0.765 -4.908
146 HB2 ARG 18 2HB ARG 18 12.626 2.901 -3.406
147 HB3 ARG 18 1HB ARG 18 12.971 1.766 -2.115
148 HG2 ARG 18 2HG ARG 18 14.907 0.950 -3.322
149 HG3 ARG 18 1HG ARG 18 14.599 2.118 -4.613
150 HD2 ARG 18 2HD ARG 18 16.272 3.046 -3.212
151 HD3 ARG 18 1HD ARG 18 14.768 3.907 -2.883
152 HE ARG 18 HE ARG 18 15.415 1.643 -1.204
153 HH11 ARG 18 1HH1 ARG 18 15.180 5.167 -1.501
154 HH12 ARG 18 2HH1 ARG 18 15.512 5.465 0.140
155 HH21 ARG 18 1HH2 ARG 18 15.866 2.070 1.050
156 HH22 ARG 18 2HH2 ARG 18 15.956 3.680 1.603
Start of MODEL 9
1 H1 GLY 1 H GLY 1 10.610 -1.357 -4.286
2 HA2 GLY 1 2HA GLY 1 11.166 -3.583 -3.877
3 HA3 GLY 1 1HA GLY 1 12.372 -2.972 -2.752
4 H VAL 2 H VAL 2 10.199 -1.145 -1.645
5 HA VAL 2 HA VAL 2 9.251 -3.084 0.298
6 HB VAL 2 HB VAL 2 8.965 -0.062 0.302
7 HG11 VAL 2 1HG1 VAL 2 8.523 -2.069 2.510
8 HG12 VAL 2 2HG1 VAL 2 7.271 -1.146 1.670
9 HG13 VAL 2 3HG1 VAL 2 8.445 -0.314 2.686
10 HG21 VAL 2 3HG2 VAL 2 10.960 -1.809 1.744
11 HG22 VAL 2 1HG2 VAL 2 10.779 -0.069 1.961
12 HG23 VAL 2 2HG2 VAL 2 11.309 -0.712 0.408
13 H ABA 3 H ABU 3 7.515 -4.132 -0.355
14 HA ABA 3 HA ABU 3 5.422 -2.818 -1.867
15 HB3 ABA 3 1HB ABU 3 5.578 -5.640 -0.764
16 HB2 ABA 3 2HB ABU 3 6.055 -5.166 -2.388
17 HG1 ABA 3 1HG ABU 3 3.757 -4.545 -2.902
18 HG3 ABA 3 3HG ABU 3 3.865 -6.227 -2.385
19 HG2 ABA 3 2HG ABU 3 3.266 -4.998 -1.273
20 H ARG 4 H ARG 4 4.207 -1.484 -0.720
21 HA ARG 4 HA ARG 4 3.300 -2.362 1.932
22 HB2 ARG 4 2HB ARG 4 4.527 -0.200 1.879
23 HB3 ARG 4 1HB ARG 4 3.340 0.431 0.752
24 HG2 ARG 4 2HG ARG 4 1.593 0.229 2.421
25 HG3 ARG 4 1HG ARG 4 2.735 -0.481 3.560
26 HD2 ARG 4 2HD ARG 4 2.381 1.859 4.070
27 HD3 ARG 4 1HD ARG 4 4.035 1.607 3.531
28 HE ARG 4 HE ARG 4 3.244 2.445 1.313
29 HH11 ARG 4 1HH1 ARG 4 1.657 3.481 4.292
30 HH12 ARG 4 2HH1 ARG 4 1.070 4.932 3.672
31 HH21 ARG 4 1HH2 ARG 4 2.499 4.456 0.441
32 HH22 ARG 4 2HH2 ARG 4 1.563 5.522 1.385
33 H CYS 5 H CYS 5 1.342 -3.249 1.865
34 HA CYS 5 HA CYS 5 -0.506 -2.387 -0.222
35 HB2 CYS 5 2HB CYS 5 -0.668 -4.766 1.618
36 HB3 CYS 5 1HB CYS 5 -1.787 -4.395 0.313
37 H VAL 6 H VAL 6 -1.908 -1.000 0.135
38 HA VAL 6 HA VAL 6 -2.823 -0.570 2.898
39 HB VAL 6 HB VAL 6 -2.913 1.380 0.621
40 HG11 VAL 6 1HG1 VAL 6 -4.601 1.831 2.276
41 HG12 VAL 6 2HG1 VAL 6 -3.355 3.077 2.368
42 HG13 VAL 6 3HG1 VAL 6 -3.397 1.780 3.563
43 HG21 VAL 6 3HG2 VAL 6 -0.906 1.272 2.879
44 HG22 VAL 6 1HG2 VAL 6 -1.051 2.593 1.721
45 HG23 VAL 6 2HG2 VAL 6 -0.573 0.983 1.172
46 H ABA 7 H ABU 7 -4.823 -0.959 3.226
47 HA ABA 7 HA ABU 7 -6.646 -1.539 1.022
48 HB3 ABA 7 1HB ABU 7 -8.173 -2.352 2.806
49 HB2 ABA 7 2HB ABU 7 -6.980 -1.883 4.013
50 HG1 ABA 7 1HG ABU 7 -6.894 -4.270 3.598
51 HG3 ABA 7 3HG ABU 7 -6.616 -3.976 1.884
52 HG2 ABA 7 2HG ABU 7 -5.401 -3.499 3.066
53 H ARG 8 H ARG 8 -7.136 0.395 0.212
54 HA ARG 8 HA ARG 8 -8.094 2.466 2.045
55 HB2 ARG 8 2HB ARG 8 -6.205 2.969 0.461
56 HB3 ARG 8 1HB ARG 8 -7.324 2.710 -0.866
57 HG2 ARG 8 2HG ARG 8 -7.070 5.069 -0.474
58 HG3 ARG 8 1HG ARG 8 -8.703 4.581 -0.014
59 HD2 ARG 8 2HD ARG 8 -8.058 4.537 2.330
60 HD3 ARG 8 1HD ARG 8 -6.392 4.920 1.899
61 HE ARG 8 HE ARG 8 -8.286 6.842 0.965
62 HH11 ARG 8 1HH1 ARG 8 -6.386 5.864 3.787
63 HH12 ARG 8 2HH1 ARG 8 -6.303 7.421 4.452
64 HH21 ARG 8 1HH2 ARG 8 -8.229 8.989 1.911
65 HH22 ARG 8 2HH2 ARG 8 -7.412 9.238 3.378
66 H ARG 9 H ARG 9 -10.173 1.892 2.362
67 HA ARG 9 HA ARG 9 -12.351 1.605 2.078
68 HB2 ARG 9 2HB ARG 9 -12.106 3.974 1.393
69 HB3 ARG 9 1HB ARG 9 -11.903 3.475 -0.273
70 HG2 ARG 9 2HG ARG 9 -14.168 4.405 0.322
71 HG3 ARG 9 1HG ARG 9 -14.185 2.817 -0.442
72 HD2 ARG 9 2HD ARG 9 -15.755 2.978 1.455
73 HD3 ARG 9 1HD ARG 9 -14.515 1.750 1.686
74 HE ARG 9 HE ARG 9 -13.852 4.269 2.846
75 HH11 ARG 9 1HH1 ARG 9 -15.621 1.243 3.385
76 HH12 ARG 9 2HH1 ARG 9 -15.563 1.344 5.087
77 HH21 ARG 9 1HH2 ARG 9 -13.773 4.372 5.244
78 HH22 ARG 9 2HH2 ARG 9 -14.503 3.106 6.134
79 H GLY 10 H GLY 10 -11.072 -0.539 1.235
80 HA2 GLY 10 2HA GLY 10 -11.971 -2.468 0.361
81 HA3 GLY 10 1HA GLY 10 -12.836 -1.449 -0.792
82 H VAL 11 H VAL 11 -10.282 0.048 -1.323
83 HA VAL 11 HA VAL 11 -9.360 -1.781 -3.348
84 HB VAL 11 HB VAL 11 -8.524 1.093 -2.845
85 HG11 VAL 11 1HG1 VAL 11 -6.848 -0.163 -4.100
86 HG12 VAL 11 2HG1 VAL 11 -7.640 1.022 -5.137
87 HG13 VAL 11 3HG1 VAL 11 -8.083 -0.681 -5.248
88 HG21 VAL 11 3HG2 VAL 11 -10.884 0.984 -3.407
89 HG22 VAL 11 1HG2 VAL 11 -10.527 -0.024 -4.811
90 HG23 VAL 11 2HG2 VAL 11 -9.973 1.648 -4.761
91 H ABA 12 H ABU 12 -8.051 -3.246 -2.525
92 HA ABA 12 HA ABU 12 -5.991 -2.586 -0.612
93 HB3 ABA 12 1HB ABU 12 -6.433 -5.125 -2.225
94 HB2 ABA 12 2HB ABU 12 -7.094 -4.836 -0.621
95 HG1 ABA 12 1HG ABU 12 -4.846 -4.746 0.311
96 HG3 ABA 12 3HG ABU 12 -5.121 -6.269 -0.537
97 HG2 ABA 12 2HG ABU 12 -4.168 -4.996 -1.296
98 H ARG 13 H ARG 13 -4.676 -1.147 -1.539
99 HA ARG 13 HA ARG 13 -3.637 -1.749 -4.199
100 HB2 ARG 13 2HB ARG 13 -4.702 0.455 -3.911
101 HB3 ARG 13 1HB ARG 13 -3.533 0.844 -2.655
102 HG2 ARG 13 2HG ARG 13 -1.722 0.670 -4.272
103 HG3 ARG 13 1HG ARG 13 -2.875 0.261 -5.539
104 HD2 ARG 13 2HD ARG 13 -2.282 2.576 -5.708
105 HD3 ARG 13 1HD ARG 13 -3.964 2.453 -5.194
106 HE ARG 13 HE ARG 13 -2.597 2.680 -2.878
107 HH11 ARG 13 1HH1 ARG 13 -2.635 4.619 -5.850
108 HH12 ARG 13 2HH1 ARG 13 -2.246 6.081 -5.063
109 HH21 ARG 13 1HH2 ARG 13 -2.074 4.746 -1.800
110 HH22 ARG 13 2HH2 ARG 13 -1.959 6.145 -2.747
111 H CYS 14 H CYS 14 -1.744 -2.640 -4.269
112 HA CYS 14 HA CYS 14 0.091 -2.233 -2.052
113 HB2 CYS 14 2HB CYS 14 0.260 -4.170 -4.351
114 HB3 CYS 14 1HB CYS 14 1.385 -4.062 -2.996
115 H VAL 15 H VAL 15 1.393 -0.774 -2.096
116 HA VAL 15 HA VAL 15 2.278 0.376 -4.652
117 HB VAL 15 HB VAL 15 2.665 1.494 -1.918
118 HG11 VAL 15 1HG1 VAL 15 2.958 3.659 -3.075
119 HG12 VAL 15 2HG1 VAL 15 2.743 2.833 -4.612
120 HG13 VAL 15 3HG1 VAL 15 4.126 2.439 -3.588
121 HG21 VAL 15 3HG2 VAL 15 0.358 2.112 -3.764
122 HG22 VAL 15 1HG2 VAL 15 0.722 3.001 -2.284
123 HG23 VAL 15 2HG2 VAL 15 0.260 1.300 -2.202
124 H ABA 16 H ABU 16 4.130 -0.301 -5.206
125 HA ABA 16 HA ABU 16 5.989 -1.380 -3.240
126 HB3 ABA 16 1HB ABU 16 7.167 -2.334 -5.139
127 HB2 ABA 16 2HB ABU 16 6.082 -1.546 -6.267
128 HG1 ABA 16 1HG ABU 16 4.221 -2.868 -5.371
129 HG3 ABA 16 3HG ABU 16 5.507 -3.882 -6.019
130 HG2 ABA 16 2HG ABU 16 5.340 -3.680 -4.275
131 H ARG 17 H ARG 17 7.228 0.067 -2.429
132 HA ARG 17 HA ARG 17 8.283 2.183 -4.165
133 HB2 ARG 17 2HB ARG 17 6.911 3.100 -2.383
134 HB3 ARG 17 1HB ARG 17 7.792 2.178 -1.178
135 HG2 ARG 17 2HG ARG 17 8.475 4.519 -1.139
136 HG3 ARG 17 1HG ARG 17 9.810 3.487 -1.646
137 HD2 ARG 17 2HD ARG 17 9.341 4.053 -3.986
138 HD3 ARG 17 1HD ARG 17 8.034 5.113 -3.464
139 HE ARG 17 HE ARG 17 10.215 5.997 -2.106
140 HH11 ARG 17 1HH1 ARG 17 9.465 5.494 -5.516
141 HH12 ARG 17 2HH1 ARG 17 10.470 6.732 -6.094
142 HH21 ARG 17 1HH2 ARG 17 11.620 7.740 -2.886
143 HH22 ARG 17 2HH2 ARG 17 11.747 8.040 -4.548
144 H ARG 18 H ARG 18 10.110 1.272 -4.888
145 HA ARG 18 HA ARG 18 12.251 0.645 -4.965
146 HB2 ARG 18 2HB ARG 18 12.424 2.822 -3.707
147 HB3 ARG 18 1HB ARG 18 12.428 1.910 -2.215
148 HG2 ARG 18 2HG ARG 18 14.674 2.592 -2.799
149 HG3 ARG 18 1HG ARG 18 14.530 0.836 -2.889
150 HD2 ARG 18 2HD ARG 18 14.294 0.957 -5.296
151 HD3 ARG 18 1HD ARG 18 14.360 2.716 -5.237
152 HE ARG 18 HE ARG 18 16.591 1.239 -4.139
153 HH11 ARG 18 1HH1 ARG 18 15.311 3.165 -6.837
154 HH12 ARG 18 2HH1 ARG 18 16.827 3.401 -7.571
155 HH21 ARG 18 1HH2 ARG 18 18.707 1.620 -5.169
156 HH22 ARG 18 2HH2 ARG 18 18.780 2.489 -6.624
Start of MODEL 10
1 H1 GLY 1 H GLY 1 9.811 0.877 -4.145
2 HA2 GLY 1 2HA GLY 1 10.862 -1.043 -4.851
3 HA3 GLY 1 1HA GLY 1 11.976 -0.831 -3.505
4 H VAL 2 H VAL 2 9.760 -0.493 -1.574
5 HA VAL 2 HA VAL 2 9.393 -3.342 -1.138
6 HB VAL 2 HB VAL 2 8.931 -1.009 0.727
7 HG11 VAL 2 1HG1 VAL 2 8.927 -3.974 1.270
8 HG12 VAL 2 2HG1 VAL 2 7.531 -2.898 1.327
9 HG13 VAL 2 3HG1 VAL 2 8.836 -2.716 2.501
10 HG21 VAL 2 3HG2 VAL 2 11.204 -2.992 0.620
11 HG22 VAL 2 1HG2 VAL 2 10.986 -1.748 1.851
12 HG23 VAL 2 2HG2 VAL 2 11.294 -1.289 0.174
13 H ABA 3 H ABU 3 7.577 -4.225 -1.731
14 HA ABA 3 HA ABU 3 5.231 -2.583 -2.167
15 HB3 ABA 3 1HB ABU 3 5.659 -5.545 -2.587
16 HB2 ABA 3 2HB ABU 3 5.836 -4.302 -3.818
17 HG1 ABA 3 1HG ABU 3 3.296 -5.027 -2.398
18 HG3 ABA 3 3HG ABU 3 3.460 -3.759 -3.611
19 HG2 ABA 3 2HG ABU 3 3.720 -5.443 -4.063
20 H ARG 4 H ARG 4 3.746 -2.316 -0.744
21 HA ARG 4 HA ARG 4 3.438 -4.271 1.427
22 HB2 ARG 4 2HB ARG 4 3.134 -1.265 1.599
23 HB3 ARG 4 1HB ARG 4 2.735 -2.391 2.883
24 HG2 ARG 4 2HG ARG 4 5.480 -1.902 1.742
25 HG3 ARG 4 1HG ARG 4 4.867 -1.299 3.281
26 HD2 ARG 4 2HD ARG 4 5.245 -4.205 2.535
27 HD3 ARG 4 1HD ARG 4 6.297 -3.262 3.583
28 HE ARG 4 HE ARG 4 3.491 -3.525 4.356
29 HH11 ARG 4 1HH1 ARG 4 6.835 -4.558 4.862
30 HH12 ARG 4 2HH1 ARG 4 6.540 -5.183 6.419
31 HH21 ARG 4 1HH2 ARG 4 3.087 -4.400 6.486
32 HH22 ARG 4 2HH2 ARG 4 4.372 -5.068 7.368
33 H CYS 5 H CYS 5 1.414 -4.956 1.715
34 HA CYS 5 HA CYS 5 -0.558 -3.917 -0.108
35 HB2 CYS 5 2HB CYS 5 -0.692 -6.273 1.750
36 HB3 CYS 5 1HB CYS 5 -1.866 -5.879 0.489
37 H VAL 6 H VAL 6 -1.976 -2.519 0.321
38 HA VAL 6 HA VAL 6 -2.582 -1.861 3.125
39 HB VAL 6 HB VAL 6 -2.007 0.109 0.877
40 HG11 VAL 6 1HG1 VAL 6 -2.019 1.832 2.621
41 HG12 VAL 6 2HG1 VAL 6 -2.473 0.605 3.806
42 HG13 VAL 6 3HG1 VAL 6 -3.570 1.004 2.487
43 HG21 VAL 6 3HG2 VAL 6 0.052 0.706 2.098
44 HG22 VAL 6 1HG2 VAL 6 0.067 -0.962 1.526
45 HG23 VAL 6 2HG2 VAL 6 -0.261 -0.621 3.222
46 H ABA 7 H ABU 7 -4.706 -0.957 3.354
47 HA ABA 7 HA ABU 7 -6.529 -1.528 1.209
48 HB3 ABA 7 1HB ABU 7 -7.028 -0.149 3.872
49 HB2 ABA 7 2HB ABU 7 -7.063 -1.895 3.670
50 HG1 ABA 7 1HG ABU 7 -8.890 0.053 2.305
51 HG3 ABA 7 3HG ABU 7 -8.926 -1.701 2.133
52 HG2 ABA 7 2HG ABU 7 -9.296 -0.966 3.691
53 H ARG 8 H ARG 8 -6.016 -0.189 -0.389
54 HA ARG 8 HA ARG 8 -5.518 2.642 0.084
55 HB2 ARG 8 2HB ARG 8 -3.854 1.299 -1.176
56 HB3 ARG 8 1HB ARG 8 -5.087 0.913 -2.362
57 HG2 ARG 8 2HG ARG 8 -5.263 3.286 -2.942
58 HG3 ARG 8 1HG ARG 8 -4.016 3.655 -1.749
59 HD2 ARG 8 2HD ARG 8 -2.453 2.186 -2.982
60 HD3 ARG 8 1HD ARG 8 -3.699 1.928 -4.203
61 HE ARG 8 HE ARG 8 -3.409 4.646 -3.910
62 HH11 ARG 8 1HH1 ARG 8 -1.423 1.925 -5.113
63 HH12 ARG 8 2HH1 ARG 8 -0.428 2.885 -6.075
64 HH21 ARG 8 1HH2 ARG 8 -2.022 5.972 -5.257
65 HH22 ARG 8 2HH2 ARG 8 -0.802 5.252 -6.194
66 H ARG 9 H ARG 9 -7.273 3.827 -0.047
67 HA ARG 9 HA ARG 9 -9.232 4.725 -0.650
68 HB2 ARG 9 2HB ARG 9 -8.046 4.753 -2.933
69 HB3 ARG 9 1HB ARG 9 -8.926 3.281 -3.299
70 HG2 ARG 9 2HG ARG 9 -11.045 4.521 -3.008
71 HG3 ARG 9 1HG ARG 9 -10.107 5.999 -2.775
72 HD2 ARG 9 2HD ARG 9 -9.075 5.628 -4.998
73 HD3 ARG 9 1HD ARG 9 -10.146 4.246 -5.228
74 HE ARG 9 HE ARG 9 -11.191 6.920 -4.707
75 HH11 ARG 9 1HH1 ARG 9 -11.165 4.017 -6.745
76 HH12 ARG 9 2HH1 ARG 9 -12.320 4.628 -7.842
77 HH21 ARG 9 1HH2 ARG 9 -12.779 7.710 -6.219
78 HH22 ARG 9 2HH2 ARG 9 -13.231 6.765 -7.555
79 H GLY 10 H GLY 10 -9.194 2.445 0.785
80 HA2 GLY 10 2HA GLY 10 -10.729 1.001 1.693
81 HA3 GLY 10 1HA GLY 10 -11.807 1.502 0.400
82 H VAL 11 H VAL 11 -9.118 0.570 -1.195
83 HA VAL 11 HA VAL 11 -10.195 -2.121 -1.643
84 HB VAL 11 HB VAL 11 -8.414 -0.482 -3.439
85 HG11 VAL 11 1HG1 VAL 11 -8.261 -2.858 -3.871
86 HG12 VAL 11 2HG1 VAL 11 -9.124 -2.067 -5.194
87 HG13 VAL 11 3HG1 VAL 11 -10.015 -2.981 -3.983
88 HG21 VAL 11 3HG2 VAL 11 -10.555 0.661 -3.195
89 HG22 VAL 11 1HG2 VAL 11 -11.407 -0.825 -3.617
90 HG23 VAL 11 2HG2 VAL 11 -10.395 -0.018 -4.817
91 H ABA 12 H ABU 12 -8.887 -3.790 -1.158
92 HA ABA 12 HA ABU 12 -6.307 -3.351 -0.009
93 HB3 ABA 12 1HB ABU 12 -7.630 -5.940 -0.873
94 HB2 ABA 12 2HB ABU 12 -7.772 -5.217 0.722
95 HG1 ABA 12 1HG ABU 12 -5.230 -6.241 -0.524
96 HG3 ABA 12 3HG ABU 12 -5.374 -5.517 1.080
97 HG2 ABA 12 2HG ABU 12 -6.183 -7.043 0.727
98 H ARG 13 H ARG 13 -4.773 -2.651 -1.320
99 HA ARG 13 HA ARG 13 -4.243 -4.111 -3.808
100 HB2 ARG 13 2HB ARG 13 -5.540 -1.913 -4.118
101 HB3 ARG 13 1HB ARG 13 -4.118 -1.103 -3.510
102 HG2 ARG 13 2HG ARG 13 -4.045 -0.915 -5.865
103 HG3 ARG 13 1HG ARG 13 -2.852 -2.140 -5.439
104 HD2 ARG 13 2HD ARG 13 -5.660 -2.845 -6.266
105 HD3 ARG 13 1HD ARG 13 -4.379 -2.619 -7.443
106 HE ARG 13 HE ARG 13 -3.208 -4.445 -6.122
107 HH11 ARG 13 1HH1 ARG 13 -6.751 -4.321 -6.467
108 HH12 ARG 13 2HH1 ARG 13 -6.962 -5.996 -6.420
109 HH21 ARG 13 1HH2 ARG 13 -3.502 -6.781 -6.065
110 HH22 ARG 13 2HH2 ARG 13 -5.062 -7.436 -6.188
111 H CYS 14 H CYS 14 -1.968 -4.214 -4.194
112 HA CYS 14 HA CYS 14 -0.440 -3.320 -1.909
113 HB2 CYS 14 2HB CYS 14 0.426 -5.266 -4.057
114 HB3 CYS 14 1HB CYS 14 1.214 -4.971 -2.510
115 H VAL 15 H VAL 15 0.962 -1.833 -1.925
116 HA VAL 15 HA VAL 15 1.435 -0.480 -4.473
117 HB VAL 15 HB VAL 15 0.017 0.825 -3.026
118 HG11 VAL 15 1HG1 VAL 15 0.605 -0.103 -0.860
119 HG12 VAL 15 2HG1 VAL 15 0.742 1.651 -0.821
120 HG13 VAL 15 3HG1 VAL 15 2.195 0.655 -0.937
121 HG21 VAL 15 3HG2 VAL 15 2.803 1.987 -3.101
122 HG22 VAL 15 1HG2 VAL 15 1.326 2.911 -2.832
123 HG23 VAL 15 2HG2 VAL 15 1.585 2.092 -4.370
124 H ABA 16 H ABU 16 3.427 0.213 -4.922
125 HA ABA 16 HA ABU 16 5.567 -1.077 -3.408
126 HB3 ABA 16 1HB ABU 16 5.671 0.227 -6.137
127 HB2 ABA 16 2HB ABU 16 5.423 -1.493 -5.860
128 HG1 ABA 16 1HG ABU 16 7.718 -1.038 -6.467
129 HG3 ABA 16 3HG ABU 16 7.875 0.072 -5.104
130 HG2 ABA 16 2HG ABU 16 7.621 -1.647 -4.813
131 H ARG 17 H ARG 17 6.268 0.138 -1.841
132 HA ARG 17 HA ARG 17 6.594 3.003 -2.267
133 HB2 ARG 17 2HB ARG 17 6.407 1.339 0.240
134 HB3 ARG 17 1HB ARG 17 6.855 3.034 0.225
135 HG2 ARG 17 2HG ARG 17 4.669 3.600 -0.725
136 HG3 ARG 17 1HG ARG 17 4.226 1.890 -0.688
137 HD2 ARG 17 2HD ARG 17 4.358 1.823 1.685
138 HD3 ARG 17 1HD ARG 17 5.094 3.422 1.748
139 HE ARG 17 HE ARG 17 2.487 3.358 0.552
140 HH11 ARG 17 1HH1 ARG 17 4.290 3.722 3.593
141 HH12 ARG 17 2HH1 ARG 17 3.064 4.592 4.378
142 HH21 ARG 17 1HH2 ARG 17 0.846 4.562 1.593
143 HH22 ARG 17 2HH2 ARG 17 1.030 5.119 3.193
144 H ARG 18 H ARG 18 8.513 3.166 -3.196
145 HA ARG 18 HA ARG 18 10.746 3.248 -3.464
146 HB2 ARG 18 2HB ARG 18 10.426 4.417 -1.249
147 HB3 ARG 18 1HB ARG 18 10.808 2.904 -0.459
148 HG2 ARG 18 2HG ARG 18 13.058 2.985 -1.453
149 HG3 ARG 18 1HG ARG 18 12.643 4.529 -2.207
150 HD2 ARG 18 2HD ARG 18 12.247 5.525 -0.031
151 HD3 ARG 18 1HD ARG 18 12.582 3.981 0.748
152 HE ARG 18 HE ARG 18 14.752 4.896 -0.857
153 HH11 ARG 18 1HH1 ARG 18 13.201 5.317 2.304
154 HH12 ARG 18 2HH1 ARG 18 14.651 5.736 3.104
155 HH21 ARG 18 1HH2 ARG 18 16.705 5.470 0.229
156 HH22 ARG 18 2HH2 ARG 18 16.701 5.843 1.885
Start of MODEL 11
1 H1 GLY 1 H GLY 1 10.971 -1.644 -4.266
2 HA2 GLY 1 2HA GLY 1 10.702 -3.863 -4.008
3 HA3 GLY 1 1HA GLY 1 12.072 -3.813 -2.910
4 H VAL 2 H VAL 2 10.036 -1.637 -1.582
5 HA VAL 2 HA VAL 2 8.877 -3.642 0.178
6 HB VAL 2 HB VAL 2 8.971 -0.618 0.482
7 HG11 VAL 2 1HG1 VAL 2 7.125 -1.600 1.717
8 HG12 VAL 2 2HG1 VAL 2 8.377 -1.041 2.828
9 HG13 VAL 2 3HG1 VAL 2 8.220 -2.758 2.470
10 HG21 VAL 2 3HG2 VAL 2 11.216 -1.545 0.559
11 HG22 VAL 2 1HG2 VAL 2 10.709 -2.728 1.767
12 HG23 VAL 2 2HG2 VAL 2 10.724 -1.008 2.162
13 H ABA 3 H ABU 3 6.891 -4.261 -0.247
14 HA ABA 3 HA ABU 3 5.238 -2.670 -2.020
15 HB3 ABA 3 1HB ABU 3 4.798 -5.439 -0.876
16 HB2 ABA 3 2HB ABU 3 5.503 -5.093 -2.448
17 HG1 ABA 3 1HG ABU 3 2.703 -4.411 -1.604
18 HG3 ABA 3 3HG ABU 3 3.417 -4.094 -3.184
19 HG2 ABA 3 2HG ABU 3 3.174 -5.757 -2.640
20 H ARG 4 H ARG 4 4.394 -1.054 -0.897
21 HA ARG 4 HA ARG 4 3.278 -1.521 1.736
22 HB2 ARG 4 2HB ARG 4 4.606 0.534 1.311
23 HB3 ARG 4 1HB ARG 4 3.423 1.037 0.114
24 HG2 ARG 4 2HG ARG 4 1.740 1.323 1.767
25 HG3 ARG 4 1HG ARG 4 2.732 0.531 2.989
26 HD2 ARG 4 2HD ARG 4 2.824 2.870 3.410
27 HD3 ARG 4 1HD ARG 4 4.375 2.383 2.750
28 HE ARG 4 HE ARG 4 2.384 3.517 0.934
29 HH11 ARG 4 1HH1 ARG 4 5.497 3.847 2.609
30 HH12 ARG 4 2HH1 ARG 4 5.926 5.285 1.844
31 HH21 ARG 4 1HH2 ARG 4 2.943 5.515 -0.085
32 HH22 ARG 4 2HH2 ARG 4 4.416 6.301 0.253
33 H CYS 5 H CYS 5 1.328 -2.322 1.860
34 HA CYS 5 HA CYS 5 -0.554 -1.774 -0.295
35 HB2 CYS 5 2HB CYS 5 -0.542 -3.948 1.783
36 HB3 CYS 5 1HB CYS 5 -1.790 -3.716 0.569
37 H VAL 6 H VAL 6 -1.928 -0.358 0.009
38 HA VAL 6 HA VAL 6 -2.776 0.340 2.736
39 HB VAL 6 HB VAL 6 -3.181 1.939 0.254
40 HG11 VAL 6 1HG1 VAL 6 -3.390 3.853 1.806
41 HG12 VAL 6 2HG1 VAL 6 -3.203 2.733 3.154
42 HG13 VAL 6 3HG1 VAL 6 -4.591 2.590 2.075
43 HG21 VAL 6 3HG2 VAL 6 -1.208 3.308 0.816
44 HG22 VAL 6 1HG2 VAL 6 -0.779 1.636 0.458
45 HG23 VAL 6 2HG2 VAL 6 -0.832 2.191 2.131
46 H ABA 7 H ABU 7 -4.711 -0.294 3.182
47 HA ABA 7 HA ABU 7 -6.485 -1.129 1.034
48 HB3 ABA 7 1HB ABU 7 -6.115 -2.952 2.519
49 HB2 ABA 7 2HB ABU 7 -7.732 -2.353 2.861
50 HG1 ABA 7 1HG ABU 7 -6.568 -2.936 4.907
51 HG3 ABA 7 3HG ABU 7 -5.297 -1.778 4.520
52 HG2 ABA 7 2HG ABU 7 -6.936 -1.213 4.847
53 H ARG 8 H ARG 8 -7.541 0.544 0.391
54 HA ARG 8 HA ARG 8 -8.891 2.192 2.406
55 HB2 ARG 8 2HB ARG 8 -7.274 3.428 0.998
56 HB3 ARG 8 1HB ARG 8 -8.140 2.926 -0.439
57 HG2 ARG 8 2HG ARG 8 -8.703 5.212 0.118
58 HG3 ARG 8 1HG ARG 8 -10.120 4.184 0.330
59 HD2 ARG 8 2HD ARG 8 -9.670 4.106 2.757
60 HD3 ARG 8 1HD ARG 8 -8.283 5.174 2.514
61 HE ARG 8 HE ARG 8 -10.458 6.451 1.416
62 HH11 ARG 8 1HH1 ARG 8 -9.555 5.306 4.640
63 HH12 ARG 8 2HH1 ARG 8 -10.486 6.464 5.465
64 HH21 ARG 8 1HH2 ARG 8 -11.693 8.079 2.562
65 HH22 ARG 8 2HH2 ARG 8 -11.697 8.103 4.256
66 H ARG 9 H ARG 9 -10.771 1.142 2.657
67 HA ARG 9 HA ARG 9 -12.867 0.418 2.298
68 HB2 ARG 9 2HB ARG 9 -13.059 2.816 1.589
69 HB3 ARG 9 1HB ARG 9 -12.780 2.307 -0.065
70 HG2 ARG 9 2HG ARG 9 -14.832 0.948 0.039
71 HG3 ARG 9 1HG ARG 9 -15.124 1.570 1.668
72 HD2 ARG 9 2HD ARG 9 -15.270 3.807 0.832
73 HD3 ARG 9 1HD ARG 9 -14.819 3.276 -0.787
74 HE ARG 9 HE ARG 9 -17.220 2.262 0.512
75 HH11 ARG 9 1HH1 ARG 9 -15.702 3.927 -2.234
76 HH12 ARG 9 2HH1 ARG 9 -17.160 4.113 -3.094
77 HH21 ARG 9 1HH2 ARG 9 -19.215 2.482 -0.722
78 HH22 ARG 9 2HH2 ARG 9 -19.167 3.270 -2.231
79 H GLY 10 H GLY 10 -11.211 -1.455 1.513
80 HA2 GLY 10 2HA GLY 10 -11.564 -3.456 0.412
81 HA3 GLY 10 1HA GLY 10 -12.620 -2.563 -0.669
82 H VAL 11 H VAL 11 -10.453 -0.482 -1.052
83 HA VAL 11 HA VAL 11 -9.204 -1.834 -3.265
84 HB VAL 11 HB VAL 11 -8.968 1.045 -2.326
85 HG11 VAL 11 1HG1 VAL 11 -8.054 1.516 -4.566
86 HG12 VAL 11 2HG1 VAL 11 -8.081 -0.216 -4.917
87 HG13 VAL 11 3HG1 VAL 11 -7.033 0.409 -3.646
88 HG21 VAL 11 3HG2 VAL 11 -10.642 -0.145 -4.541
89 HG22 VAL 11 1HG2 VAL 11 -10.480 1.577 -4.192
90 HG23 VAL 11 2HG2 VAL 11 -11.238 0.504 -3.013
91 H ABA 12 H ABU 12 -7.600 -3.128 -2.658
92 HA ABA 12 HA ABU 12 -5.701 -2.262 -0.648
93 HB3 ABA 12 1HB ABU 12 -5.793 -4.849 -2.228
94 HB2 ABA 12 2HB ABU 12 -6.538 -4.617 -0.650
95 HG1 ABA 12 1HG ABU 12 -4.408 -5.797 -0.472
96 HG3 ABA 12 3HG ABU 12 -3.588 -4.430 -1.225
97 HG2 ABA 12 2HG ABU 12 -4.352 -4.237 0.350
98 H ARG 13 H ARG 13 -4.888 -0.562 -1.775
99 HA ARG 13 HA ARG 13 -3.596 -0.933 -4.314
100 HB2 ARG 13 2HB ARG 13 -4.696 1.176 -3.923
101 HB3 ARG 13 1HB ARG 13 -3.777 1.428 -2.452
102 HG2 ARG 13 2HG ARG 13 -1.761 1.782 -3.688
103 HG3 ARG 13 1HG ARG 13 -2.536 1.292 -5.193
104 HD2 ARG 13 2HD ARG 13 -3.344 3.681 -3.534
105 HD3 ARG 13 1HD ARG 13 -2.310 3.754 -4.956
106 HE ARG 13 HE ARG 13 -4.181 2.829 -6.218
107 HH11 ARG 13 1HH1 ARG 13 -4.926 4.489 -3.158
108 HH12 ARG 13 2HH1 ARG 13 -6.481 4.972 -3.632
109 HH21 ARG 13 1HH2 ARG 13 -6.352 3.475 -6.849
110 HH22 ARG 13 2HH2 ARG 13 -7.337 4.346 -5.775
111 H CYS 14 H CYS 14 -1.849 -2.088 -4.268
112 HA CYS 14 HA CYS 14 0.121 -1.671 -2.153
113 HB2 CYS 14 2HB CYS 14 -0.065 -3.820 -4.258
114 HB3 CYS 14 1HB CYS 14 1.179 -3.714 -3.029
115 H VAL 15 H VAL 15 1.678 -0.397 -2.487
116 HA VAL 15 HA VAL 15 2.569 0.159 -5.245
117 HB VAL 15 HB VAL 15 3.076 1.859 -2.815
118 HG11 VAL 15 1HG1 VAL 15 4.625 2.258 -4.599
119 HG12 VAL 15 2HG1 VAL 15 3.543 3.647 -4.456
120 HG13 VAL 15 3HG1 VAL 15 3.307 2.475 -5.750
121 HG21 VAL 15 3HG2 VAL 15 1.282 3.396 -3.591
122 HG22 VAL 15 1HG2 VAL 15 0.668 1.819 -3.094
123 HG23 VAL 15 2HG2 VAL 15 0.827 2.201 -4.805
124 H ABA 16 H ABU 16 4.571 -0.443 -5.664
125 HA ABA 16 HA ABU 16 6.162 -1.488 -3.482
126 HB3 ABA 16 1HB ABU 16 5.921 -3.086 -5.261
127 HB2 ABA 16 2HB ABU 16 7.579 -2.504 -5.297
128 HG1 ABA 16 1HG ABU 16 6.705 -2.733 -7.541
129 HG3 ABA 16 3HG ABU 16 5.389 -1.623 -7.157
130 HG2 ABA 16 2HG ABU 16 7.052 -1.044 -7.171
131 H ARG 17 H ARG 17 7.468 -0.168 -2.563
132 HA ARG 17 HA ARG 17 8.870 1.814 -4.217
133 HB2 ARG 17 2HB ARG 17 7.170 2.785 -2.646
134 HB3 ARG 17 1HB ARG 17 8.082 2.106 -1.306
135 HG2 ARG 17 2HG ARG 17 8.598 4.445 -1.539
136 HG3 ARG 17 1HG ARG 17 10.014 3.483 -1.967
137 HD2 ARG 17 2HD ARG 17 9.709 5.307 -3.554
138 HD3 ARG 17 1HD ARG 17 9.476 3.761 -4.351
139 HE ARG 17 HE ARG 17 7.129 5.187 -3.361
140 HH11 ARG 17 1HH1 ARG 17 9.042 4.164 -6.197
141 HH12 ARG 17 2HH1 ARG 17 7.795 4.541 -7.292
142 HH21 ARG 17 1HH2 ARG 17 5.467 5.641 -4.900
143 HH22 ARG 17 2HH2 ARG 17 5.746 5.364 -6.567
144 H ARG 18 H ARG 18 10.892 1.105 -4.439
145 HA ARG 18 HA ARG 18 12.908 0.158 -4.076
146 HB2 ARG 18 2HB ARG 18 13.150 2.058 -2.484
147 HB3 ARG 18 1HB ARG 18 12.463 1.074 -1.200
148 HG2 ARG 18 2HG ARG 18 14.431 -0.462 -1.450
149 HG3 ARG 18 1HG ARG 18 15.110 0.686 -2.602
150 HD2 ARG 18 2HD ARG 18 15.241 2.387 -0.928
151 HD3 ARG 18 1HD ARG 18 14.350 1.383 0.218
152 HE ARG 18 HE ARG 18 16.774 0.194 -0.759
153 HH11 ARG 18 1HH1 ARG 18 15.459 2.366 1.697
154 HH12 ARG 18 2HH1 ARG 18 16.638 1.988 2.866
155 HH21 ARG 18 1HH2 ARG 18 18.409 -0.321 0.834
156 HH22 ARG 18 2HH2 ARG 18 18.348 0.410 2.364
Start of MODEL 12
1 H1 GLY 1 H GLY 1 10.618 -0.657 -4.422
2 HA2 GLY 1 2HA GLY 1 10.865 -2.935 -4.479
3 HA3 GLY 1 1HA GLY 1 12.242 -2.731 -3.401
4 H VAL 2 H VAL 2 10.299 -0.949 -1.735
5 HA VAL 2 HA VAL 2 9.417 -3.133 -0.064
6 HB VAL 2 HB VAL 2 9.131 -0.138 0.374
7 HG11 VAL 2 1HG1 VAL 2 7.526 -1.450 1.677
8 HG12 VAL 2 2HG1 VAL 2 8.737 -0.704 2.722
9 HG13 VAL 2 3HG1 VAL 2 8.844 -2.420 2.336
10 HG21 VAL 2 3HG2 VAL 2 11.482 -0.768 0.248
11 HG22 VAL 2 1HG2 VAL 2 11.224 -2.048 1.433
12 HG23 VAL 2 2HG2 VAL 2 11.046 -0.360 1.906
13 H ABA 3 H ABU 3 7.600 -4.064 -0.549
14 HA ABA 3 HA ABU 3 5.484 -2.533 -1.848
15 HB3 ABA 3 1HB ABU 3 5.867 -5.525 -1.572
16 HB2 ABA 3 2HB ABU 3 6.283 -4.578 -2.992
17 HG1 ABA 3 1HG ABU 3 3.517 -4.962 -1.885
18 HG3 ABA 3 3HG ABU 3 3.935 -4.005 -3.309
19 HG2 ABA 3 2HG ABU 3 4.195 -5.753 -3.309
20 H ARG 4 H ARG 4 3.950 -1.832 -0.595
21 HA ARG 4 HA ARG 4 3.211 -3.399 1.781
22 HB2 ARG 4 2HB ARG 4 4.403 -1.343 2.411
23 HB3 ARG 4 1HB ARG 4 3.263 -0.387 1.483
24 HG2 ARG 4 2HG ARG 4 1.487 -0.915 3.011
25 HG3 ARG 4 1HG ARG 4 2.515 -2.067 3.870
26 HD2 ARG 4 2HD ARG 4 3.017 0.899 3.646
27 HD3 ARG 4 1HD ARG 4 2.348 0.081 5.063
28 HE ARG 4 HE ARG 4 4.696 -1.209 4.465
29 HH11 ARG 4 1HH1 ARG 4 3.850 2.092 5.394
30 HH12 ARG 4 2HH1 ARG 4 5.310 2.388 6.222
31 HH21 ARG 4 1HH2 ARG 4 6.681 -0.824 5.558
32 HH22 ARG 4 2HH2 ARG 4 6.985 0.663 6.323
33 H CYS 5 H CYS 5 1.057 -3.811 2.031
34 HA CYS 5 HA CYS 5 -0.636 -2.934 -0.179
35 HB2 CYS 5 2HB CYS 5 -0.987 -5.253 1.704
36 HB3 CYS 5 1HB CYS 5 -1.999 -4.884 0.310
37 H VAL 6 H VAL 6 -2.008 -1.494 0.085
38 HA VAL 6 HA VAL 6 -2.914 -0.868 2.808
39 HB VAL 6 HB VAL 6 -2.747 1.008 0.448
40 HG11 VAL 6 1HG1 VAL 6 -3.270 1.589 3.357
41 HG12 VAL 6 2HG1 VAL 6 -4.440 1.666 2.045
42 HG13 VAL 6 3HG1 VAL 6 -3.086 2.804 2.092
43 HG21 VAL 6 3HG2 VAL 6 -0.815 2.062 1.561
44 HG22 VAL 6 1HG2 VAL 6 -0.487 0.390 1.108
45 HG23 VAL 6 2HG2 VAL 6 -0.847 0.793 2.786
46 H ABA 7 H ABU 7 -5.007 -0.801 3.129
47 HA ABA 7 HA ABU 7 -6.812 -1.483 0.939
48 HB3 ABA 7 1HB ABU 7 -8.440 -1.976 2.734
49 HB2 ABA 7 2HB ABU 7 -7.272 -1.442 3.934
50 HG1 ABA 7 1HG ABU 7 -5.788 -3.276 3.324
51 HG3 ABA 7 3HG ABU 7 -7.369 -3.863 3.834
52 HG2 ABA 7 2HG ABU 7 -6.955 -3.823 2.120
53 H ARG 8 H ARG 8 -6.972 0.443 -0.049
54 HA ARG 8 HA ARG 8 -7.790 2.740 1.547
55 HB2 ARG 8 2HB ARG 8 -5.880 3.218 0.181
56 HB3 ARG 8 1HB ARG 8 -6.657 2.539 -1.241
57 HG2 ARG 8 2HG ARG 8 -8.246 4.349 -1.297
58 HG3 ARG 8 1HG ARG 8 -7.608 5.000 0.210
59 HD2 ARG 8 2HD ARG 8 -5.976 4.668 -2.296
60 HD3 ARG 8 1HD ARG 8 -6.826 6.153 -1.879
61 HE ARG 8 HE ARG 8 -5.436 5.871 0.295
62 HH11 ARG 8 1HH1 ARG 8 -4.274 5.106 -2.958
63 HH12 ARG 8 2HH1 ARG 8 -2.698 5.666 -2.700
64 HH21 ARG 8 1HH2 ARG 8 -3.239 6.707 0.654
65 HH22 ARG 8 2HH2 ARG 8 -2.100 6.577 -0.624
66 H ARG 9 H ARG 9 -9.827 2.782 1.805
67 HA ARG 9 HA ARG 9 -12.047 2.973 1.466
68 HB2 ARG 9 2HB ARG 9 -11.086 4.668 -0.226
69 HB3 ARG 9 1HB ARG 9 -11.421 3.463 -1.454
70 HG2 ARG 9 2HG ARG 9 -13.795 3.548 -0.879
71 HG3 ARG 9 1HG ARG 9 -13.447 4.770 0.347
72 HD2 ARG 9 2HD ARG 9 -13.041 5.024 -2.630
73 HD3 ARG 9 1HD ARG 9 -14.250 5.849 -1.647
74 HE ARG 9 HE ARG 9 -11.510 6.325 -0.871
75 HH11 ARG 9 1HH1 ARG 9 -14.248 7.520 -2.773
76 HH12 ARG 9 2HH1 ARG 9 -13.584 9.070 -2.999
77 HH21 ARG 9 1HH2 ARG 9 -10.625 8.408 -1.151
78 HH22 ARG 9 2HH2 ARG 9 -11.424 9.600 -2.074
79 H GLY 10 H GLY 10 -11.013 0.492 1.531
80 HA2 GLY 10 2HA GLY 10 -11.907 -1.597 1.371
81 HA3 GLY 10 1HA GLY 10 -12.954 -0.962 0.105
82 H VAL 11 H VAL 11 -10.348 0.130 -1.142
83 HA VAL 11 HA VAL 11 -9.936 -2.219 -2.799
84 HB VAL 11 HB VAL 11 -8.890 0.598 -3.202
85 HG11 VAL 11 1HG1 VAL 11 -8.579 -0.049 -5.515
86 HG12 VAL 11 2HG1 VAL 11 -9.254 -1.640 -5.175
87 HG13 VAL 11 3HG1 VAL 11 -7.724 -1.171 -4.452
88 HG21 VAL 11 3HG2 VAL 11 -10.745 0.941 -4.761
89 HG22 VAL 11 1HG2 VAL 11 -11.330 0.635 -3.127
90 HG23 VAL 11 2HG2 VAL 11 -11.392 -0.645 -4.344
91 H ABA 12 H ABU 12 -8.359 -3.523 -2.179
92 HA ABA 12 HA ABU 12 -6.107 -2.515 -0.647
93 HB3 ABA 12 1HB ABU 12 -6.828 -5.348 -1.467
94 HB2 ABA 12 2HB ABU 12 -7.202 -4.599 0.077
95 HG1 ABA 12 1HG ABU 12 -4.440 -5.193 -0.963
96 HG3 ABA 12 3HG ABU 12 -4.821 -4.421 0.578
97 HG2 ABA 12 2HG ABU 12 -5.312 -6.088 0.285
98 H ARG 13 H ARG 13 -4.578 -1.602 -1.768
99 HA ARG 13 HA ARG 13 -3.599 -2.960 -4.183
100 HB2 ARG 13 2HB ARG 13 -3.656 0.023 -3.654
101 HB3 ARG 13 1HB ARG 13 -2.839 -0.737 -5.009
102 HG2 ARG 13 2HG ARG 13 -5.799 -0.781 -4.480
103 HG3 ARG 13 1HG ARG 13 -4.968 0.215 -5.675
104 HD2 ARG 13 2HD ARG 13 -4.204 -1.791 -6.831
105 HD3 ARG 13 1HD ARG 13 -5.014 -2.807 -5.644
106 HE ARG 13 HE ARG 13 -6.767 -0.951 -6.914
107 HH11 ARG 13 1HH1 ARG 13 -5.186 -4.085 -7.420
108 HH12 ARG 13 2HH1 ARG 13 -6.455 -4.717 -8.369
109 HH21 ARG 13 1HH2 ARG 13 -8.484 -1.849 -8.240
110 HH22 ARG 13 2HH2 ARG 13 -8.331 -3.459 -8.830
111 H CYS 14 H CYS 14 -1.456 -3.252 -4.331
112 HA CYS 14 HA CYS 14 0.053 -2.559 -1.930
113 HB2 CYS 14 2HB CYS 14 0.724 -4.613 -4.029
114 HB3 CYS 14 1HB CYS 14 1.493 -4.384 -2.458
115 H VAL 15 H VAL 15 1.354 -1.017 -1.967
116 HA VAL 15 HA VAL 15 2.222 -0.021 -4.567
117 HB VAL 15 HB VAL 15 0.977 1.604 -3.290
118 HG11 VAL 15 1HG1 VAL 15 3.040 1.272 -1.107
119 HG12 VAL 15 2HG1 VAL 15 1.336 0.820 -1.018
120 HG13 VAL 15 3HG1 VAL 15 1.793 2.518 -1.141
121 HG21 VAL 15 3HG2 VAL 15 3.910 2.298 -3.357
122 HG22 VAL 15 1HG2 VAL 15 2.596 3.468 -3.212
123 HG23 VAL 15 2HG2 VAL 15 2.750 2.484 -4.671
124 H ABA 16 H ABU 16 4.273 0.252 -5.005
125 HA ABA 16 HA ABU 16 6.155 -0.985 -3.162
126 HB3 ABA 16 1HB ABU 16 5.986 -2.316 -5.144
127 HB2 ABA 16 2HB ABU 16 7.515 -1.444 -5.220
128 HG1 ABA 16 1HG ABU 16 6.526 0.169 -6.756
129 HG3 ABA 16 3HG ABU 16 6.436 -1.472 -7.394
130 HG2 ABA 16 2HG ABU 16 5.003 -0.718 -6.702
131 H ARG 17 H ARG 17 7.599 0.238 -2.325
132 HA ARG 17 HA ARG 17 8.438 2.666 -3.732
133 HB2 ARG 17 2HB ARG 17 8.032 2.315 -0.758
134 HB3 ARG 17 1HB ARG 17 8.762 3.723 -1.511
135 HG2 ARG 17 2HG ARG 17 6.646 4.131 -2.711
136 HG3 ARG 17 1HG ARG 17 5.924 2.781 -1.832
137 HD2 ARG 17 2HD ARG 17 5.382 4.910 -0.776
138 HD3 ARG 17 1HD ARG 17 6.389 3.922 0.282
139 HE ARG 17 HE ARG 17 8.083 5.531 -1.204
140 HH11 ARG 17 1HH1 ARG 17 5.602 6.000 1.249
141 HH12 ARG 17 2HH1 ARG 17 6.270 7.421 1.889
142 HH21 ARG 17 1HH2 ARG 17 9.025 7.435 -0.370
143 HH22 ARG 17 2HH2 ARG 17 8.302 8.292 0.922
144 H ARG 18 H ARG 18 10.306 1.998 -4.504
145 HA ARG 18 HA ARG 18 12.432 1.275 -4.661
146 HB2 ARG 18 2HB ARG 18 12.813 3.145 -3.041
147 HB3 ARG 18 1HB ARG 18 12.576 2.031 -1.712
148 HG2 ARG 18 2HG ARG 18 14.943 2.518 -2.053
149 HG3 ARG 18 1HG ARG 18 14.593 0.817 -2.348
150 HD2 ARG 18 2HD ARG 18 14.567 1.243 -4.764
151 HD3 ARG 18 1HD ARG 18 14.921 2.945 -4.460
152 HE ARG 18 HE ARG 18 16.856 1.419 -3.187
153 HH11 ARG 18 1HH1 ARG 18 15.850 2.075 -6.518
154 HH12 ARG 18 2HH1 ARG 18 17.410 1.915 -7.157
155 HH21 ARG 18 1HH2 ARG 18 19.020 1.189 -4.103
156 HH22 ARG 18 2HH2 ARG 18 19.239 1.362 -5.782
Start of MODEL 13
1 H1 GLY 1 H GLY 1 11.099 -0.595 -3.830
2 HA2 GLY 1 2HA GLY 1 11.727 -2.757 -3.934
3 HA3 GLY 1 1HA GLY 1 12.743 -2.458 -2.531
4 H VAL 2 H VAL 2 10.085 -1.398 -1.243
5 HA VAL 2 HA VAL 2 9.326 -4.055 -0.276
6 HB VAL 2 HB VAL 2 8.824 -1.335 0.936
7 HG11 VAL 2 1HG1 VAL 2 7.170 -2.972 1.648
8 HG12 VAL 2 2HG1 VAL 2 8.242 -2.566 2.988
9 HG13 VAL 2 3HG1 VAL 2 8.452 -4.089 2.122
10 HG21 VAL 2 3HG2 VAL 2 10.916 -3.391 1.659
11 HG22 VAL 2 1HG2 VAL 2 10.570 -1.930 2.587
12 HG23 VAL 2 2HG2 VAL 2 11.203 -1.805 0.946
13 H ABA 3 H ABU 3 7.393 -4.814 -0.910
14 HA ABA 3 HA ABU 3 5.585 -3.158 -2.351
15 HB3 ABA 3 1HB ABU 3 5.175 -5.950 -1.231
16 HB2 ABA 3 2HB ABU 3 5.812 -5.586 -2.831
17 HG1 ABA 3 1HG ABU 3 3.486 -6.218 -2.969
18 HG3 ABA 3 3HG ABU 3 3.053 -4.932 -1.843
19 HG2 ABA 3 2HG ABU 3 3.693 -4.531 -3.437
20 H ARG 4 H ARG 4 4.494 -1.680 -1.374
21 HA ARG 4 HA ARG 4 3.640 -2.031 1.393
22 HB2 ARG 4 2HB ARG 4 5.070 -0.083 0.876
23 HB3 ARG 4 1HB ARG 4 3.908 0.449 -0.327
24 HG2 ARG 4 2HG ARG 4 2.266 0.870 1.403
25 HG3 ARG 4 1HG ARG 4 3.361 0.213 2.623
26 HD2 ARG 4 2HD ARG 4 3.889 2.675 0.947
27 HD3 ARG 4 1HD ARG 4 3.350 2.668 2.624
28 HE ARG 4 HE ARG 4 5.880 1.350 1.932
29 HH11 ARG 4 1HH1 ARG 4 4.258 4.095 3.469
30 HH12 ARG 4 2HH1 ARG 4 5.593 4.531 4.414
31 HH21 ARG 4 1HH2 ARG 4 7.748 2.003 3.223
32 HH22 ARG 4 2HH2 ARG 4 7.588 3.312 4.291
33 H CYS 5 H CYS 5 1.647 -2.788 1.526
34 HA CYS 5 HA CYS 5 -0.282 -2.121 -0.557
35 HB2 CYS 5 2HB CYS 5 -0.372 -4.320 1.520
36 HB3 CYS 5 1HB CYS 5 -1.550 -4.059 0.243
37 H VAL 6 H VAL 6 -1.838 -0.816 -0.152
38 HA VAL 6 HA VAL 6 -2.480 -0.103 2.632
39 HB VAL 6 HB VAL 6 -2.677 1.673 0.194
40 HG11 VAL 6 1HG1 VAL 6 -4.211 2.304 1.947
41 HG12 VAL 6 2HG1 VAL 6 -2.926 3.509 1.815
42 HG13 VAL 6 3HG1 VAL 6 -2.893 2.328 3.123
43 HG21 VAL 6 3HG2 VAL 6 -0.509 1.677 2.294
44 HG22 VAL 6 1HG2 VAL 6 -0.704 2.868 1.008
45 HG23 VAL 6 2HG2 VAL 6 -0.332 1.194 0.605
46 H ABA 7 H ABU 7 -4.631 -0.123 3.080
47 HA ABA 7 HA ABU 7 -6.426 -0.838 0.875
48 HB3 ABA 7 1HB ABU 7 -6.741 -1.425 3.823
49 HB2 ABA 7 2HB ABU 7 -6.197 -2.593 2.619
50 HG1 ABA 7 1HG ABU 7 -8.530 -2.919 3.186
51 HG3 ABA 7 3HG ABU 7 -8.893 -1.266 2.701
52 HG2 ABA 7 2HG ABU 7 -8.355 -2.435 1.496
53 H ARG 8 H ARG 8 -7.679 0.723 0.293
54 HA ARG 8 HA ARG 8 -8.687 2.521 2.348
55 HB2 ARG 8 2HB ARG 8 -6.886 3.651 1.067
56 HB3 ARG 8 1HB ARG 8 -7.789 3.366 -0.415
57 HG2 ARG 8 2HG ARG 8 -8.095 5.652 0.344
58 HG3 ARG 8 1HG ARG 8 -9.614 4.758 0.440
59 HD2 ARG 8 2HD ARG 8 -9.297 6.148 2.403
60 HD3 ARG 8 1HD ARG 8 -9.280 4.447 2.849
61 HE ARG 8 HE ARG 8 -6.677 5.615 2.382
62 HH11 ARG 8 1HH1 ARG 8 -9.145 4.897 4.834
63 HH12 ARG 8 2HH1 ARG 8 -8.087 5.060 6.142
64 HH21 ARG 8 1HH2 ARG 8 -5.250 5.858 4.195
65 HH22 ARG 8 2HH2 ARG 8 -5.801 5.624 5.791
66 H ARG 9 H ARG 9 -10.738 2.191 2.477
67 HA ARG 9 HA ARG 9 -12.869 1.799 2.077
68 HB2 ARG 9 2HB ARG 9 -12.525 4.001 0.838
69 HB3 ARG 9 1HB ARG 9 -12.433 3.065 -0.641
70 HG2 ARG 9 2HG ARG 9 -14.655 4.056 -0.312
71 HG3 ARG 9 1HG ARG 9 -14.727 2.293 -0.320
72 HD2 ARG 9 2HD ARG 9 -14.854 2.223 2.064
73 HD3 ARG 9 1HD ARG 9 -14.582 3.963 2.189
74 HE ARG 9 HE ARG 9 -16.846 3.510 0.648
75 HH11 ARG 9 1HH1 ARG 9 -15.815 2.939 3.992
76 HH12 ARG 9 2HH1 ARG 9 -17.353 3.156 4.667
77 HH21 ARG 9 1HH2 ARG 9 -18.954 3.842 1.573
78 HH22 ARG 9 2HH2 ARG 9 -19.198 3.695 3.258
79 H GLY 10 H GLY 10 -11.504 -0.409 1.802
80 HA2 GLY 10 2HA GLY 10 -11.899 -2.529 1.141
81 HA3 GLY 10 1HA GLY 10 -13.105 -1.867 0.045
82 H VAL 11 H VAL 11 -10.383 -0.191 -0.689
83 HA VAL 11 HA VAL 11 -9.674 -2.106 -2.781
84 HB VAL 11 HB VAL 11 -9.064 0.867 -2.633
85 HG11 VAL 11 1HG1 VAL 11 -8.697 -1.089 -4.905
86 HG12 VAL 11 2HG1 VAL 11 -7.409 -0.361 -3.946
87 HG13 VAL 11 3HG1 VAL 11 -8.409 0.651 -4.988
88 HG21 VAL 11 3HG2 VAL 11 -10.750 1.112 -4.405
89 HG22 VAL 11 1HG2 VAL 11 -11.444 0.488 -2.910
90 HG23 VAL 11 2HG2 VAL 11 -11.134 -0.604 -4.261
91 H ABA 12 H ABU 12 -8.056 -3.350 -2.102
92 HA ABA 12 HA ABU 12 -5.922 -2.216 -0.484
93 HB3 ABA 12 1HB ABU 12 -6.369 -5.066 -1.417
94 HB2 ABA 12 2HB ABU 12 -6.892 -4.432 0.139
95 HG1 ABA 12 1HG ABU 12 -4.849 -5.726 0.360
96 HG3 ABA 12 3HG ABU 12 -4.037 -4.675 -0.802
97 HG2 ABA 12 2HG ABU 12 -4.557 -4.033 0.759
98 H ARG 13 H ARG 13 -4.554 -1.126 -1.646
99 HA ARG 13 HA ARG 13 -3.782 -2.129 -4.292
100 HB2 ARG 13 2HB ARG 13 -2.971 0.162 -4.741
101 HB3 ARG 13 1HB ARG 13 -4.681 0.105 -4.360
102 HG2 ARG 13 2HG ARG 13 -4.214 0.883 -2.090
103 HG3 ARG 13 1HG ARG 13 -2.488 0.933 -2.464
104 HD2 ARG 13 2HD ARG 13 -3.529 3.145 -2.598
105 HD3 ARG 13 1HD ARG 13 -2.896 2.631 -4.158
106 HE ARG 13 HE ARG 13 -5.281 1.899 -4.577
107 HH11 ARG 13 1HH1 ARG 13 -4.442 4.756 -2.641
108 HH12 ARG 13 2HH1 ARG 13 -5.897 5.550 -2.984
109 HH21 ARG 13 1HH2 ARG 13 -7.280 3.023 -5.005
110 HH22 ARG 13 2HH2 ARG 13 -7.546 4.550 -4.303
111 H CYS 14 H CYS 14 -1.793 -2.839 -4.617
112 HA CYS 14 HA CYS 14 0.151 -2.404 -2.487
113 HB2 CYS 14 2HB CYS 14 -0.066 -4.631 -4.504
114 HB3 CYS 14 1HB CYS 14 1.275 -4.439 -3.380
115 H VAL 15 H VAL 15 1.740 -1.155 -2.888
116 HA VAL 15 HA VAL 15 2.538 -0.658 -5.682
117 HB VAL 15 HB VAL 15 2.595 1.346 -3.408
118 HG11 VAL 15 1HG1 VAL 15 4.303 1.763 -5.071
119 HG12 VAL 15 2HG1 VAL 15 3.070 3.020 -5.123
120 HG13 VAL 15 3HG1 VAL 15 3.087 1.756 -6.352
121 HG21 VAL 15 3HG2 VAL 15 0.274 0.911 -4.003
122 HG22 VAL 15 1HG2 VAL 15 0.635 1.204 -5.703
123 HG23 VAL 15 2HG2 VAL 15 0.741 2.525 -4.539
124 H ABA 16 H ABU 16 4.713 -0.632 -6.030
125 HA ABA 16 HA ABU 16 6.380 -1.748 -3.958
126 HB3 ABA 16 1HB ABU 16 7.051 -0.849 -6.778
127 HB2 ABA 16 2HB ABU 16 6.661 -2.492 -6.289
128 HG1 ABA 16 1HG ABU 16 9.055 -2.172 -6.602
129 HG3 ABA 16 3HG ABU 16 9.053 -0.932 -5.351
130 HG2 ABA 16 2HG ABU 16 8.668 -2.597 -4.932
131 H ARG 17 H ARG 17 7.177 -0.469 -2.473
132 HA ARG 17 HA ARG 17 7.857 2.283 -3.189
133 HB2 ARG 17 2HB ARG 17 5.887 1.926 -1.619
134 HB3 ARG 17 1HB ARG 17 7.021 1.218 -0.486
135 HG2 ARG 17 2HG ARG 17 6.641 3.475 0.170
136 HG3 ARG 17 1HG ARG 17 8.271 3.380 -0.503
137 HD2 ARG 17 2HD ARG 17 7.119 5.368 -1.323
138 HD3 ARG 17 1HD ARG 17 7.429 4.244 -2.643
139 HE ARG 17 HE ARG 17 4.872 3.734 -1.594
140 HH11 ARG 17 1HH1 ARG 17 6.549 6.118 -3.585
141 HH12 ARG 17 2HH1 ARG 17 5.146 6.770 -4.273
142 HH21 ARG 17 1HH2 ARG 17 2.930 4.564 -2.543
143 HH22 ARG 17 2HH2 ARG 17 2.975 5.843 -3.654
144 H ARG 18 H ARG 18 9.996 2.022 -3.562
145 HA ARG 18 HA ARG 18 12.181 1.656 -3.259
146 HB2 ARG 18 2HB ARG 18 11.737 3.337 -1.483
147 HB3 ARG 18 1HB ARG 18 11.457 2.038 -0.343
148 HG2 ARG 18 2HG ARG 18 13.665 3.073 -0.066
149 HG3 ARG 18 1HG ARG 18 13.774 1.366 -0.493
150 HD2 ARG 18 2HD ARG 18 15.408 2.737 -1.697
151 HD3 ARG 18 1HD ARG 18 14.282 1.927 -2.778
152 HE ARG 18 HE ARG 18 13.267 4.461 -2.228
153 HH11 ARG 18 1HH1 ARG 18 16.092 3.094 -3.810
154 HH12 ARG 18 2HH1 ARG 18 16.257 4.352 -4.950
155 HH21 ARG 18 1HH2 ARG 18 13.428 6.134 -3.824
156 HH22 ARG 18 2HH2 ARG 18 14.665 6.103 -4.989
Start of MODEL 14
1 H1 GLY 1 H GLY 1 11.092 -1.204 -4.454
2 HA2 GLY 1 2HA GLY 1 10.929 -3.412 -4.037
3 HA3 GLY 1 1HA GLY 1 12.306 -3.235 -2.964
4 H VAL 2 H VAL 2 10.357 -0.980 -1.774
5 HA VAL 2 HA VAL 2 9.363 -2.744 0.274
6 HB VAL 2 HB VAL 2 9.171 0.284 0.082
7 HG11 VAL 2 1HG1 VAL 2 7.487 -0.652 1.568
8 HG12 VAL 2 2HG1 VAL 2 8.718 0.203 2.499
9 HG13 VAL 2 3HG1 VAL 2 8.730 -1.559 2.430
10 HG21 VAL 2 3HG2 VAL 2 11.158 -1.420 1.594
11 HG22 VAL 2 1HG2 VAL 2 11.035 0.334 1.689
12 HG23 VAL 2 2HG2 VAL 2 11.507 -0.438 0.174
13 H ABA 3 H ABU 3 7.513 -3.684 -0.113
14 HA ABA 3 HA ABU 3 5.475 -2.282 -1.689
15 HB3 ABA 3 1HB ABU 3 5.757 -5.247 -1.151
16 HB2 ABA 3 2HB ABU 3 6.226 -4.428 -2.637
17 HG1 ABA 3 1HG ABU 3 3.895 -3.797 -3.031
18 HG3 ABA 3 3HG ABU 3 4.089 -5.543 -2.913
19 HG2 ABA 3 2HG ABU 3 3.422 -4.643 -1.555
20 H ARG 4 H ARG 4 4.031 -1.388 -0.544
21 HA ARG 4 HA ARG 4 3.220 -2.612 1.999
22 HB2 ARG 4 2HB ARG 4 4.256 -0.439 2.315
23 HB3 ARG 4 1HB ARG 4 3.174 0.280 1.134
24 HG2 ARG 4 2HG ARG 4 1.278 -0.089 2.595
25 HG3 ARG 4 1HG ARG 4 2.316 -0.930 3.749
26 HD2 ARG 4 2HD ARG 4 1.895 1.370 4.455
27 HD3 ARG 4 1HD ARG 4 3.599 1.087 4.104
28 HE ARG 4 HE ARG 4 1.903 2.283 2.046
29 HH11 ARG 4 1HH1 ARG 4 4.593 2.632 4.351
30 HH12 ARG 4 2HH1 ARG 4 5.097 4.128 3.714
31 HH21 ARG 4 1HH2 ARG 4 2.599 4.324 1.221
32 HH22 ARG 4 2HH2 ARG 4 3.948 5.118 1.887
33 H CYS 5 H CYS 5 1.311 -3.559 1.909
34 HA CYS 5 HA CYS 5 -0.631 -2.655 -0.066
35 HB2 CYS 5 2HB CYS 5 -0.555 -5.164 1.619
36 HB3 CYS 5 1HB CYS 5 -1.809 -4.755 0.458
37 H VAL 6 H VAL 6 -2.222 -1.456 0.513
38 HA VAL 6 HA VAL 6 -3.291 -1.692 3.193
39 HB VAL 6 HB VAL 6 -1.847 0.160 3.313
40 HG11 VAL 6 1HG1 VAL 6 -3.236 1.319 0.891
41 HG12 VAL 6 2HG1 VAL 6 -1.563 0.765 0.991
42 HG13 VAL 6 3HG1 VAL 6 -2.073 2.197 1.889
43 HG21 VAL 6 3HG2 VAL 6 -4.698 1.111 3.113
44 HG22 VAL 6 1HG2 VAL 6 -3.400 2.023 3.885
45 HG23 VAL 6 2HG2 VAL 6 -3.884 0.458 4.533
46 H ABA 7 H ABU 7 -5.392 -1.638 3.267
47 HA ABA 7 HA ABU 7 -6.770 -1.594 0.717
48 HB3 ABA 7 1HB ABU 7 -7.329 -3.533 1.981
49 HB2 ABA 7 2HB ABU 7 -8.742 -2.492 2.027
50 HG1 ABA 7 1HG ABU 7 -8.136 -1.749 4.268
51 HG3 ABA 7 3HG ABU 7 -8.377 -3.492 4.170
52 HG2 ABA 7 2HG ABU 7 -6.743 -2.834 4.239
53 H ARG 8 H ARG 8 -7.073 0.318 0.059
54 HA ARG 8 HA ARG 8 -7.998 2.400 1.879
55 HB2 ARG 8 2HB ARG 8 -7.098 2.624 -0.995
56 HB3 ARG 8 1HB ARG 8 -7.409 3.951 0.109
57 HG2 ARG 8 2HG ARG 8 -5.538 3.119 1.532
58 HG3 ARG 8 1HG ARG 8 -5.189 1.938 0.268
59 HD2 ARG 8 2HD ARG 8 -3.760 3.888 0.034
60 HD3 ARG 8 1HD ARG 8 -4.867 3.772 -1.336
61 HE ARG 8 HE ARG 8 -6.032 5.332 0.655
62 HH11 ARG 8 1HH1 ARG 8 -3.354 5.583 -1.691
63 HH12 ARG 8 2HH1 ARG 8 -3.431 7.278 -1.778
64 HH21 ARG 8 1HH2 ARG 8 -6.137 7.656 0.475
65 HH22 ARG 8 2HH2 ARG 8 -5.034 8.491 -0.512
66 H ARG 9 H ARG 9 -10.087 2.383 2.085
67 HA ARG 9 HA ARG 9 -12.294 2.365 1.715
68 HB2 ARG 9 2HB ARG 9 -11.619 4.462 0.477
69 HB3 ARG 9 1HB ARG 9 -11.576 3.520 -1.003
70 HG2 ARG 9 2HG ARG 9 -13.641 4.821 -0.836
71 HG3 ARG 9 1HG ARG 9 -13.983 3.089 -0.791
72 HD2 ARG 9 2HD ARG 9 -14.137 3.199 1.651
73 HD3 ARG 9 1HD ARG 9 -13.814 4.931 1.584
74 HE ARG 9 HE ARG 9 -15.936 4.857 0.095
75 HH11 ARG 9 1HH1 ARG 9 -15.349 2.991 3.056
76 HH12 ARG 9 2HH1 ARG 9 -16.976 2.937 3.515
77 HH21 ARG 9 1HH2 ARG 9 -18.186 4.764 0.732
78 HH22 ARG 9 2HH2 ARG 9 -18.636 3.972 2.170
79 H GLY 10 H GLY 10 -11.307 -0.057 1.468
80 HA2 GLY 10 2HA GLY 10 -12.162 -2.075 0.886
81 HA3 GLY 10 1HA GLY 10 -13.094 -1.244 -0.350
82 H VAL 11 H VAL 11 -10.427 0.001 -1.296
83 HA VAL 11 HA VAL 11 -9.840 -2.224 -3.093
84 HB VAL 11 HB VAL 11 -8.999 0.682 -3.274
85 HG11 VAL 11 1HG1 VAL 11 -8.816 -1.537 -5.314
86 HG12 VAL 11 2HG1 VAL 11 -7.467 -0.770 -4.473
87 HG13 VAL 11 3HG1 VAL 11 -8.434 0.159 -5.616
88 HG21 VAL 11 3HG2 VAL 11 -10.710 0.882 -5.040
89 HG22 VAL 11 1HG2 VAL 11 -11.417 0.462 -3.480
90 HG23 VAL 11 2HG2 VAL 11 -11.216 -0.776 -4.718
91 H ABA 12 H ABU 12 -8.102 -3.424 -2.759
92 HA ABA 12 HA ABU 12 -6.166 -2.643 -0.787
93 HB3 ABA 12 1HB ABU 12 -6.239 -5.082 -2.580
94 HB2 ABA 12 2HB ABU 12 -6.921 -4.991 -0.958
95 HG1 ABA 12 1HG ABU 12 -4.701 -4.618 -0.033
96 HG3 ABA 12 3HG ABU 12 -4.772 -6.127 -0.943
97 HG2 ABA 12 2HG ABU 12 -4.008 -4.704 -1.652
98 H ARG 13 H ARG 13 -4.665 -1.281 -1.269
99 HA ARG 13 HA ARG 13 -3.596 -1.241 -3.986
100 HB2 ARG 13 2HB ARG 13 -4.656 0.838 -3.156
101 HB3 ARG 13 1HB ARG 13 -3.486 0.888 -1.847
102 HG2 ARG 13 2HG ARG 13 -2.855 2.425 -3.608
103 HG3 ARG 13 1HG ARG 13 -1.672 1.121 -3.489
104 HD2 ARG 13 2HD ARG 13 -2.247 1.668 -5.828
105 HD3 ARG 13 1HD ARG 13 -2.659 0.005 -5.409
106 HE ARG 13 HE ARG 13 -4.786 1.891 -5.043
107 HH11 ARG 13 1HH1 ARG 13 -3.271 -0.256 -7.430
108 HH12 ARG 13 2HH1 ARG 13 -4.694 -0.426 -8.355
109 HH21 ARG 13 1HH2 ARG 13 -6.716 1.635 -6.325
110 HH22 ARG 13 2HH2 ARG 13 -6.685 0.645 -7.710
111 H CYS 14 H CYS 14 -1.703 -2.257 -4.137
112 HA CYS 14 HA CYS 14 0.110 -2.176 -1.849
113 HB2 CYS 14 2HB CYS 14 0.176 -3.994 -4.253
114 HB3 CYS 14 1HB CYS 14 1.269 -3.997 -2.869
115 H VAL 15 H VAL 15 1.449 -0.654 -1.997
116 HA VAL 15 HA VAL 15 2.321 0.270 -4.652
117 HB VAL 15 HB VAL 15 2.772 1.650 -2.017
118 HG11 VAL 15 1HG1 VAL 15 4.342 2.337 -3.713
119 HG12 VAL 15 2HG1 VAL 15 3.217 3.658 -3.388
120 HG13 VAL 15 3HG1 VAL 15 3.026 2.674 -4.839
121 HG21 VAL 15 3HG2 VAL 15 0.581 2.195 -4.023
122 HG22 VAL 15 1HG2 VAL 15 0.942 3.201 -2.620
123 HG23 VAL 15 2HG2 VAL 15 0.370 1.548 -2.396
124 H ABA 16 H ABU 16 4.265 -0.157 -5.226
125 HA ABA 16 HA ABU 16 6.164 -1.150 -3.215
126 HB3 ABA 16 1HB ABU 16 5.991 -1.962 -6.124
127 HB2 ABA 16 2HB ABU 16 5.398 -2.919 -4.775
128 HG1 ABA 16 1HG ABU 16 7.533 -3.748 -5.534
129 HG3 ABA 16 3HG ABU 16 8.264 -2.164 -5.281
130 HG2 ABA 16 2HG ABU 16 7.681 -3.097 -3.901
131 H ARG 17 H ARG 17 7.641 0.245 -2.842
132 HA ARG 17 HA ARG 17 8.888 1.665 -5.067
133 HB2 ARG 17 2HB ARG 17 7.324 3.237 -4.064
134 HB3 ARG 17 1HB ARG 17 7.967 2.897 -2.469
135 HG2 ARG 17 2HG ARG 17 10.033 3.968 -2.991
136 HG3 ARG 17 1HG ARG 17 9.577 4.137 -4.688
137 HD2 ARG 17 2HD ARG 17 8.118 5.401 -2.372
138 HD3 ARG 17 1HD ARG 17 9.291 6.232 -3.397
139 HE ARG 17 HE ARG 17 7.682 5.425 -5.243
140 HH11 ARG 17 1HH1 ARG 17 6.714 6.739 -2.095
141 HH12 ARG 17 2HH1 ARG 17 5.207 7.329 -2.642
142 HH21 ARG 17 1HH2 ARG 17 5.638 6.244 -5.993
143 HH22 ARG 17 2HH2 ARG 17 4.593 7.076 -4.953
144 H ARG 18 H ARG 18 10.952 1.298 -5.066
145 HA ARG 18 HA ARG 18 13.007 0.655 -4.539
146 HB2 ARG 18 2HB ARG 18 12.841 2.763 -3.140
147 HB3 ARG 18 1HB ARG 18 12.453 1.751 -1.759
148 HG2 ARG 18 2HG ARG 18 14.797 2.423 -1.737
149 HG3 ARG 18 1HG ARG 18 14.652 0.674 -1.931
150 HD2 ARG 18 2HD ARG 18 16.357 1.638 -3.425
151 HD3 ARG 18 1HD ARG 18 15.051 0.881 -4.325
152 HE ARG 18 HE ARG 18 14.737 3.696 -3.842
153 HH11 ARG 18 1HH1 ARG 18 15.982 1.254 -6.118
154 HH12 ARG 18 2HH1 ARG 18 15.924 2.297 -7.457
155 HH21 ARG 18 1HH2 ARG 18 14.697 5.119 -5.728
156 HH22 ARG 18 2HH2 ARG 18 15.206 4.516 -7.234
Start of MODEL 15
1 H1 GLY 1 H GLY 1 11.296 -2.047 -3.883
2 HA2 GLY 1 2HA GLY 1 11.795 -4.033 -2.802
3 HA3 GLY 1 1HA GLY 1 12.888 -3.098 -1.782
4 H VAL 2 H VAL 2 10.752 -1.042 -1.346
5 HA VAL 2 HA VAL 2 9.439 -2.467 0.810
6 HB VAL 2 HB VAL 2 9.416 0.509 0.178
7 HG11 VAL 2 1HG1 VAL 2 8.414 -0.969 2.623
8 HG12 VAL 2 2HG1 VAL 2 7.410 -0.171 1.417
9 HG13 VAL 2 3HG1 VAL 2 8.480 0.785 2.442
10 HG21 VAL 2 3HG2 VAL 2 11.622 -0.288 0.838
11 HG22 VAL 2 1HG2 VAL 2 10.933 -1.039 2.277
12 HG23 VAL 2 2HG2 VAL 2 10.917 0.716 2.103
13 H ABA 3 H ABU 3 7.772 -3.562 0.157
14 HA ABA 3 HA ABU 3 5.850 -2.362 -1.681
15 HB3 ABA 3 1HB ABU 3 6.171 -5.213 -0.711
16 HB2 ABA 3 2HB ABU 3 6.664 -4.604 -2.286
17 HG1 ABA 3 1HG ABU 3 4.594 -5.851 -2.457
18 HG3 ABA 3 3HG ABU 3 3.835 -4.783 -1.279
19 HG2 ABA 3 2HG ABU 3 4.321 -4.148 -2.845
20 H ARG 4 H ARG 4 4.089 -1.519 -0.851
21 HA ARG 4 HA ARG 4 3.124 -2.551 1.717
22 HB2 ARG 4 2HB ARG 4 4.233 -0.349 2.063
23 HB3 ARG 4 1HB ARG 4 3.125 0.364 0.899
24 HG2 ARG 4 2HG ARG 4 1.234 -0.221 2.342
25 HG3 ARG 4 1HG ARG 4 2.353 -0.909 3.517
26 HD2 ARG 4 2HD ARG 4 1.716 1.305 4.219
27 HD3 ARG 4 1HD ARG 4 3.414 1.314 3.745
28 HE ARG 4 HE ARG 4 2.030 2.043 1.497
29 HH11 ARG 4 1HH1 ARG 4 2.270 3.344 4.803
30 HH12 ARG 4 2HH1 ARG 4 1.950 4.940 4.310
31 HH21 ARG 4 1HH2 ARG 4 1.613 4.268 0.885
32 HH22 ARG 4 2HH2 ARG 4 1.603 5.467 2.102
33 H CYS 5 H CYS 5 0.979 -2.902 1.800
34 HA CYS 5 HA CYS 5 -0.579 -2.084 -0.518
35 HB2 CYS 5 2HB CYS 5 -0.857 -4.541 1.212
36 HB3 CYS 5 1HB CYS 5 -1.977 -4.087 -0.071
37 H VAL 6 H VAL 6 -2.104 -0.748 -0.118
38 HA VAL 6 HA VAL 6 -3.022 -0.379 2.648
39 HB VAL 6 HB VAL 6 -3.239 1.544 0.363
40 HG11 VAL 6 1HG1 VAL 6 -4.865 1.956 2.082
41 HG12 VAL 6 2HG1 VAL 6 -3.650 3.236 2.116
42 HG13 VAL 6 3HG1 VAL 6 -3.610 1.948 3.322
43 HG21 VAL 6 3HG2 VAL 6 -0.883 1.225 0.800
44 HG22 VAL 6 1HG2 VAL 6 -1.134 1.515 2.521
45 HG23 VAL 6 2HG2 VAL 6 -1.374 2.824 1.360
46 H ABA 7 H ABU 7 -4.997 -0.903 2.964
47 HA ABA 7 HA ABU 7 -6.797 -1.259 0.675
48 HB3 ABA 7 1HB ABU 7 -7.019 -2.571 3.399
49 HB2 ABA 7 2HB ABU 7 -6.233 -3.338 2.025
50 HG1 ABA 7 1HG ABU 7 -9.127 -2.521 2.133
51 HG3 ABA 7 3HG ABU 7 -8.321 -3.330 0.792
52 HG2 ABA 7 2HG ABU 7 -8.508 -4.157 2.337
53 H ARG 8 H ARG 8 -8.022 0.418 0.509
54 HA ARG 8 HA ARG 8 -9.079 1.678 2.943
55 HB2 ARG 8 2HB ARG 8 -7.244 3.040 2.104
56 HB3 ARG 8 1HB ARG 8 -7.941 3.037 0.498
57 HG2 ARG 8 2HG ARG 8 -9.839 4.337 1.303
58 HG3 ARG 8 1HG ARG 8 -9.166 4.321 2.938
59 HD2 ARG 8 2HD ARG 8 -7.204 5.519 2.162
60 HD3 ARG 8 1HD ARG 8 -7.803 5.474 0.508
61 HE ARG 8 HE ARG 8 -9.686 6.703 2.223
62 HH11 ARG 8 1HH1 ARG 8 -6.556 7.353 0.670
63 HH12 ARG 8 2HH1 ARG 8 -6.832 9.030 0.566
64 HH21 ARG 8 1HH2 ARG 8 -10.015 8.974 2.101
65 HH22 ARG 8 2HH2 ARG 8 -8.860 9.991 1.368
66 H ARG 9 H ARG 9 -11.189 1.594 2.914
67 HA ARG 9 HA ARG 9 -13.344 1.590 2.297
68 HB2 ARG 9 2HB ARG 9 -12.578 3.790 1.199
69 HB3 ARG 9 1HB ARG 9 -12.463 2.891 -0.299
70 HG2 ARG 9 2HG ARG 9 -14.526 4.131 -0.277
71 HG3 ARG 9 1HG ARG 9 -14.903 2.413 -0.140
72 HD2 ARG 9 2HD ARG 9 -15.281 2.616 2.212
73 HD3 ARG 9 1HD ARG 9 -14.694 4.278 2.214
74 HE ARG 9 HE ARG 9 -16.921 3.877 0.473
75 HH11 ARG 9 1HH1 ARG 9 -16.073 4.383 3.878
76 HH12 ARG 9 2HH1 ARG 9 -17.513 5.186 4.265
77 HH21 ARG 9 1HH2 ARG 9 -18.942 4.978 1.038
78 HH22 ARG 9 2HH2 ARG 9 -19.167 5.535 2.624
79 H GLY 10 H GLY 10 -11.793 -0.598 1.867
80 HA2 GLY 10 2HA GLY 10 -12.104 -2.713 1.124
81 HA3 GLY 10 1HA GLY 10 -13.453 -2.093 0.181
82 H VAL 11 H VAL 11 -10.754 -0.282 -0.538
83 HA VAL 11 HA VAL 11 -10.205 -1.898 -2.912
84 HB VAL 11 HB VAL 11 -9.759 1.074 -2.449
85 HG11 VAL 11 1HG1 VAL 11 -9.228 1.200 -4.824
86 HG12 VAL 11 2HG1 VAL 11 -9.476 -0.532 -4.980
87 HG13 VAL 11 3HG1 VAL 11 -8.130 0.077 -4.014
88 HG21 VAL 11 3HG2 VAL 11 -11.588 1.407 -4.033
89 HG22 VAL 11 1HG2 VAL 11 -12.124 0.502 -2.618
90 HG23 VAL 11 2HG2 VAL 11 -11.818 -0.337 -4.141
91 H ABA 12 H ABU 12 -8.386 -2.974 -2.813
92 HA ABA 12 HA ABU 12 -6.261 -2.120 -1.004
93 HB3 ABA 12 1HB ABU 12 -6.611 -4.720 -2.515
94 HB2 ABA 12 2HB ABU 12 -7.092 -4.466 -0.843
95 HG1 ABA 12 1HG ABU 12 -4.274 -4.316 -1.890
96 HG3 ABA 12 3HG ABU 12 -4.775 -4.100 -0.209
97 HG2 ABA 12 2HG ABU 12 -4.977 -5.664 -1.002
98 H ARG 13 H ARG 13 -4.565 -1.153 -1.760
99 HA ARG 13 HA ARG 13 -3.787 -1.481 -4.579
100 HB2 ARG 13 2HB ARG 13 -3.740 1.056 -2.922
101 HB3 ARG 13 1HB ARG 13 -3.095 0.890 -4.549
102 HG2 ARG 13 2HG ARG 13 -5.344 0.458 -5.409
103 HG3 ARG 13 1HG ARG 13 -5.995 0.576 -3.775
104 HD2 ARG 13 2HD ARG 13 -6.314 2.646 -5.089
105 HD3 ARG 13 1HD ARG 13 -5.342 2.901 -3.638
106 HE ARG 13 HE ARG 13 -3.425 2.544 -5.341
107 HH11 ARG 13 1HH1 ARG 13 -6.338 4.514 -5.832
108 HH12 ARG 13 2HH1 ARG 13 -5.624 5.470 -7.044
109 HH21 ARG 13 1HH2 ARG 13 -2.449 3.899 -6.930
110 HH22 ARG 13 2HH2 ARG 13 -3.376 5.113 -7.690
111 H CYS 14 H CYS 14 -1.580 -1.813 -4.856
112 HA CYS 14 HA CYS 14 0.066 -1.733 -2.419
113 HB2 CYS 14 2HB CYS 14 0.207 -3.746 -4.675
114 HB3 CYS 14 1HB CYS 14 1.282 -3.693 -3.285
115 H VAL 15 H VAL 15 1.982 -0.722 -2.581
116 HA VAL 15 HA VAL 15 2.906 0.093 -5.265
117 HB VAL 15 HB VAL 15 3.396 1.629 -2.696
118 HG11 VAL 15 1HG1 VAL 15 4.105 3.450 -4.156
119 HG12 VAL 15 2HG1 VAL 15 3.776 2.446 -5.567
120 HG13 VAL 15 3HG1 VAL 15 5.051 1.988 -4.442
121 HG21 VAL 15 3HG2 VAL 15 1.002 1.692 -3.202
122 HG22 VAL 15 1HG2 VAL 15 1.362 2.277 -4.827
123 HG23 VAL 15 2HG2 VAL 15 1.745 3.279 -3.424
124 H ABA 16 H ABU 16 5.096 -0.272 -5.664
125 HA ABA 16 HA ABU 16 6.604 -1.590 -3.523
126 HB3 ABA 16 1HB ABU 16 7.786 -2.772 -5.334
127 HB2 ABA 16 2HB ABU 16 6.752 -2.001 -6.521
128 HG1 ABA 16 1HG ABU 16 4.803 -3.121 -5.542
129 HG3 ABA 16 3HG ABU 16 6.014 -4.258 -6.127
130 HG2 ABA 16 2HG ABU 16 5.868 -3.947 -4.399
131 H ARG 17 H ARG 17 7.742 0.147 -2.761
132 HA ARG 17 HA ARG 17 9.211 1.742 -4.741
133 HB2 ARG 17 2HB ARG 17 8.542 2.409 -1.876
134 HB3 ARG 17 1HB ARG 17 9.549 3.400 -2.917
135 HG2 ARG 17 2HG ARG 17 7.611 3.629 -4.468
136 HG3 ARG 17 1HG ARG 17 6.634 2.770 -3.276
137 HD2 ARG 17 2HD ARG 17 8.113 5.345 -2.788
138 HD3 ARG 17 1HD ARG 17 6.390 5.206 -3.109
139 HE ARG 17 HE ARG 17 6.336 3.792 -1.040
140 HH11 ARG 17 1HH1 ARG 17 8.779 6.326 -1.425
141 HH12 ARG 17 2HH1 ARG 17 8.869 6.707 0.223
142 HH21 ARG 17 1HH2 ARG 17 6.463 4.320 1.256
143 HH22 ARG 17 2HH2 ARG 17 7.519 5.543 1.782
144 H ARG 18 H ARG 18 10.924 0.593 -5.118
145 HA ARG 18 HA ARG 18 12.970 -0.298 -4.967
146 HB2 ARG 18 2HB ARG 18 13.288 2.131 -4.311
147 HB3 ARG 18 1HB ARG 18 13.379 1.591 -2.647
148 HG2 ARG 18 2HG ARG 18 15.609 1.936 -3.532
149 HG3 ARG 18 1HG ARG 18 15.347 0.223 -3.221
150 HD2 ARG 18 2HD ARG 18 16.497 0.594 -5.354
151 HD3 ARG 18 1HD ARG 18 14.927 -0.162 -5.602
152 HE ARG 18 HE ARG 18 14.719 2.648 -5.795
153 HH11 ARG 18 1HH1 ARG 18 15.826 -0.166 -7.679
154 HH12 ARG 18 2HH1 ARG 18 15.677 0.638 -9.168
155 HH21 ARG 18 1HH2 ARG 18 14.527 3.689 -7.873
156 HH22 ARG 18 2HH2 ARG 18 14.927 2.840 -9.289
Start of MODEL 16
1 H1 GLY 1 H GLY 1 10.598 -0.304 -4.223
2 HA2 GLY 1 2HA GLY 1 10.588 -2.525 -4.638
3 HA3 GLY 1 1HA GLY 1 12.070 -2.628 -3.697
4 H VAL 2 H VAL 2 10.047 -1.150 -1.623
5 HA VAL 2 HA VAL 2 9.384 -3.688 -0.380
6 HB VAL 2 HB VAL 2 9.107 -0.869 0.717
7 HG11 VAL 2 1HG1 VAL 2 8.850 -1.957 2.903
8 HG12 VAL 2 2HG1 VAL 2 8.912 -3.537 2.124
9 HG13 VAL 2 3HG1 VAL 2 7.568 -2.448 1.793
10 HG21 VAL 2 3HG2 VAL 2 11.233 -2.960 1.180
11 HG22 VAL 2 1HG2 VAL 2 11.091 -1.440 2.062
12 HG23 VAL 2 2HG2 VAL 2 11.431 -1.426 0.333
13 H ABA 3 H ABU 3 7.552 -4.564 -0.812
14 HA ABA 3 HA ABU 3 5.423 -3.152 -2.085
15 HB3 ABA 3 1HB ABU 3 5.518 -5.973 -1.008
16 HB2 ABA 3 2HB ABU 3 5.984 -5.503 -2.635
17 HG1 ABA 3 1HG ABU 3 3.693 -4.785 -3.078
18 HG3 ABA 3 3HG ABU 3 3.771 -6.487 -2.616
19 HG2 ABA 3 2HG ABU 3 3.230 -5.275 -1.448
20 H ARG 4 H ARG 4 4.431 -1.728 -0.853
21 HA ARG 4 HA ARG 4 3.425 -2.584 1.760
22 HB2 ARG 4 2HB ARG 4 4.812 -0.528 1.761
23 HB3 ARG 4 1HB ARG 4 3.684 0.214 0.632
24 HG2 ARG 4 2HG ARG 4 1.897 0.022 2.294
25 HG3 ARG 4 1HG ARG 4 3.038 -0.692 3.431
26 HD2 ARG 4 2HD ARG 4 4.369 1.359 3.367
27 HD3 ARG 4 1HD ARG 4 3.218 2.067 2.234
28 HE ARG 4 HE ARG 4 1.940 1.135 4.587
29 HH11 ARG 4 1HH1 ARG 4 3.898 3.829 3.408
30 HH12 ARG 4 2HH1 ARG 4 3.231 4.956 4.488
31 HH21 ARG 4 1HH2 ARG 4 1.045 2.674 6.072
32 HH22 ARG 4 2HH2 ARG 4 1.561 4.298 6.002
33 H CYS 5 H CYS 5 1.288 -2.848 1.999
34 HA CYS 5 HA CYS 5 -0.352 -2.270 -0.333
35 HB2 CYS 5 2HB CYS 5 -0.830 -4.170 1.953
36 HB3 CYS 5 1HB CYS 5 -1.864 -3.967 0.537
37 H VAL 6 H VAL 6 -1.733 -0.769 -0.344
38 HA VAL 6 HA VAL 6 -2.480 0.483 2.190
39 HB VAL 6 HB VAL 6 -2.965 1.480 -0.610
40 HG11 VAL 6 1HG1 VAL 6 -3.055 2.949 2.018
41 HG12 VAL 6 2HG1 VAL 6 -4.437 2.459 1.038
42 HG13 VAL 6 3HG1 VAL 6 -3.316 3.675 0.428
43 HG21 VAL 6 3HG2 VAL 6 -1.047 3.027 -0.308
44 HG22 VAL 6 1HG2 VAL 6 -0.550 1.334 -0.300
45 HG23 VAL 6 2HG2 VAL 6 -0.672 2.223 1.215
46 H ABA 7 H ABU 7 -4.449 0.217 2.849
47 HA ABA 7 HA ABU 7 -6.424 -1.092 1.118
48 HB3 ABA 7 1HB ABU 7 -7.355 -2.023 3.222
49 HB2 ABA 7 2HB ABU 7 -6.018 -1.309 4.108
50 HG1 ABA 7 1HG ABU 7 -5.627 -3.660 3.756
51 HG3 ABA 7 3HG ABU 7 -5.805 -3.451 2.016
52 HG2 ABA 7 2HG ABU 7 -4.443 -2.704 2.850
53 H ARG 8 H ARG 8 -7.639 0.609 0.481
54 HA ARG 8 HA ARG 8 -8.789 2.203 2.631
55 HB2 ARG 8 2HB ARG 8 -6.989 3.543 1.634
56 HB3 ARG 8 1HB ARG 8 -7.735 3.377 0.053
57 HG2 ARG 8 2HG ARG 8 -9.724 4.563 0.882
58 HG3 ARG 8 1HG ARG 8 -8.943 4.750 2.449
59 HD2 ARG 8 2HD ARG 8 -8.716 6.781 1.199
60 HD3 ARG 8 1HD ARG 8 -7.132 6.016 1.350
61 HE ARG 8 HE ARG 8 -8.242 5.160 -1.042
62 HH11 ARG 8 1HH1 ARG 8 -7.128 8.212 0.376
63 HH12 ARG 8 2HH1 ARG 8 -6.730 8.925 -1.115
64 HH21 ARG 8 1HH2 ARG 8 -7.700 6.176 -3.123
65 HH22 ARG 8 2HH2 ARG 8 -7.094 7.760 -3.122
66 H ARG 9 H ARG 9 -10.845 2.025 2.597
67 HA ARG 9 HA ARG 9 -12.987 1.817 2.022
68 HB2 ARG 9 2HB ARG 9 -12.336 4.033 1.025
69 HB3 ARG 9 1HB ARG 9 -12.156 3.215 -0.511
70 HG2 ARG 9 2HG ARG 9 -14.494 2.701 -0.585
71 HG3 ARG 9 1HG ARG 9 -14.722 3.324 1.052
72 HD2 ARG 9 2HD ARG 9 -13.778 4.923 -1.310
73 HD3 ARG 9 1HD ARG 9 -15.418 4.947 -0.652
74 HE ARG 9 HE ARG 9 -13.646 5.507 1.422
75 HH11 ARG 9 1HH1 ARG 9 -14.608 7.053 -1.593
76 HH12 ARG 9 2HH1 ARG 9 -14.458 8.645 -1.005
77 HH21 ARG 9 1HH2 ARG 9 -13.395 7.636 2.233
78 HH22 ARG 9 2HH2 ARG 9 -13.734 8.991 1.259
79 H GLY 10 H GLY 10 -11.704 -0.451 1.642
80 HA2 GLY 10 2HA GLY 10 -12.173 -2.502 0.842
81 HA3 GLY 10 1HA GLY 10 -13.377 -1.734 -0.185
82 H VAL 11 H VAL 11 -10.425 -0.243 -0.645
83 HA VAL 11 HA VAL 11 -9.822 -1.993 -2.911
84 HB VAL 11 HB VAL 11 -9.217 0.970 -2.658
85 HG11 VAL 11 1HG1 VAL 11 -8.892 -0.912 -4.991
86 HG12 VAL 11 2HG1 VAL 11 -7.594 -0.190 -4.039
87 HG13 VAL 11 3HG1 VAL 11 -8.624 0.828 -5.047
88 HG21 VAL 11 3HG2 VAL 11 -10.948 1.311 -4.375
89 HG22 VAL 11 1HG2 VAL 11 -11.621 0.598 -2.910
90 HG23 VAL 11 2HG2 VAL 11 -11.328 -0.408 -4.326
91 H ABA 12 H ABU 12 -8.048 -3.083 -2.658
92 HA ABA 12 HA ABU 12 -5.962 -2.076 -0.865
93 HB3 ABA 12 1HB ABU 12 -6.604 -4.922 -1.698
94 HB2 ABA 12 2HB ABU 12 -6.943 -4.200 -0.129
95 HG1 ABA 12 1HG ABU 12 -4.204 -4.668 -1.278
96 HG3 ABA 12 3HG ABU 12 -4.558 -3.975 0.303
97 HG2 ABA 12 2HG ABU 12 -4.995 -5.647 -0.044
98 H ARG 13 H ARG 13 -4.316 -1.286 -1.880
99 HA ARG 13 HA ARG 13 -3.425 -2.534 -4.374
100 HB2 ARG 13 2HB ARG 13 -3.677 0.407 -3.764
101 HB3 ARG 13 1HB ARG 13 -2.596 -0.191 -5.015
102 HG2 ARG 13 2HG ARG 13 -5.560 -0.728 -4.945
103 HG3 ARG 13 1HG ARG 13 -4.805 0.573 -5.872
104 HD2 ARG 13 2HD ARG 13 -3.499 -1.042 -7.114
105 HD3 ARG 13 1HD ARG 13 -4.179 -2.373 -6.186
106 HE ARG 13 HE ARG 13 -6.308 -1.054 -7.319
107 HH11 ARG 13 1HH1 ARG 13 -3.376 -2.611 -8.562
108 HH12 ARG 13 2HH1 ARG 13 -4.091 -3.215 -9.965
109 HH21 ARG 13 1HH2 ARG 13 -7.324 -1.881 -9.249
110 HH22 ARG 13 2HH2 ARG 13 -6.430 -2.780 -10.380
111 H CYS 14 H CYS 14 -1.462 -3.250 -4.328
112 HA CYS 14 HA CYS 14 0.285 -2.377 -2.153
113 HB2 CYS 14 2HB CYS 14 0.499 -4.827 -3.904
114 HB3 CYS 14 1HB CYS 14 1.480 -4.452 -2.489
115 H VAL 15 H VAL 15 1.799 -1.075 -2.490
116 HA VAL 15 HA VAL 15 2.794 -0.691 -5.234
117 HB VAL 15 HB VAL 15 2.909 1.308 -2.974
118 HG11 VAL 15 1HG1 VAL 15 3.313 2.944 -4.766
119 HG12 VAL 15 2HG1 VAL 15 3.321 1.621 -5.935
120 HG13 VAL 15 3HG1 VAL 15 4.552 1.693 -4.674
121 HG21 VAL 15 3HG2 VAL 15 0.553 0.886 -3.483
122 HG22 VAL 15 1HG2 VAL 15 0.855 1.214 -5.187
123 HG23 VAL 15 2HG2 VAL 15 1.033 2.503 -4.003
124 H ABA 16 H ABU 16 4.939 -0.894 -5.491
125 HA ABA 16 HA ABU 16 6.478 -1.747 -3.183
126 HB3 ABA 16 1HB ABU 16 8.184 -2.422 -4.856
127 HB2 ABA 16 2HB ABU 16 7.137 -1.811 -6.133
128 HG1 ABA 16 1HG ABU 16 6.506 -4.075 -4.252
129 HG3 ABA 16 3HG ABU 16 5.428 -3.446 -5.495
130 HG2 ABA 16 2HG ABU 16 6.941 -4.219 -5.958
131 H ARG 17 H ARG 17 6.901 0.072 -2.101
132 HA ARG 17 HA ARG 17 8.177 2.312 -3.464
133 HB2 ARG 17 2HB ARG 17 7.255 1.941 -0.609
134 HB3 ARG 17 1HB ARG 17 8.148 3.350 -1.152
135 HG2 ARG 17 2HG ARG 17 6.326 3.845 -2.753
136 HG3 ARG 17 1HG ARG 17 5.424 2.478 -2.096
137 HD2 ARG 17 2HD ARG 17 4.727 4.641 -1.114
138 HD3 ARG 17 1HD ARG 17 5.362 3.519 0.093
139 HE ARG 17 HE ARG 17 7.445 5.124 -0.849
140 HH11 ARG 17 1HH1 ARG 17 4.465 5.590 1.011
141 HH12 ARG 17 2HH1 ARG 17 5.129 6.719 2.088
142 HH21 ARG 17 1HH2 ARG 17 8.377 6.715 0.658
143 HH22 ARG 17 2HH2 ARG 17 7.396 7.376 1.871
144 H ARG 18 H ARG 18 10.228 2.162 -3.834
145 HA ARG 18 HA ARG 18 12.408 1.633 -3.758
146 HB2 ARG 18 2HB ARG 18 12.234 2.974 -1.579
147 HB3 ARG 18 1HB ARG 18 12.108 1.442 -0.736
148 HG2 ARG 18 2HG ARG 18 14.343 0.835 -1.684
149 HG3 ARG 18 1HG ARG 18 14.464 2.486 -2.298
150 HD2 ARG 18 2HD ARG 18 14.212 1.627 0.582
151 HD3 ARG 18 1HD ARG 18 15.622 2.335 -0.198
152 HE ARG 18 HE ARG 18 13.793 4.232 -0.588
153 HH11 ARG 18 1HH1 ARG 18 14.614 2.462 2.374
154 HH12 ARG 18 2HH1 ARG 18 14.235 3.750 3.405
155 HH21 ARG 18 1HH2 ARG 18 13.253 5.968 0.820
156 HH22 ARG 18 2HH2 ARG 18 13.479 5.840 2.493
Start of MODEL 17
1 H1 GLY 1 H GLY 1 10.775 0.209 -3.827
2 HA2 GLY 1 2HA GLY 1 11.220 -1.937 -4.422
3 HA3 GLY 1 1HA GLY 1 12.562 -1.874 -3.288
4 H VAL 2 H VAL 2 9.880 -0.959 -1.565
5 HA VAL 2 HA VAL 2 9.552 -3.696 -0.594
6 HB VAL 2 HB VAL 2 8.889 -1.089 0.807
7 HG11 VAL 2 1HG1 VAL 2 7.458 -2.902 1.556
8 HG12 VAL 2 2HG1 VAL 2 8.633 -2.488 2.809
9 HG13 VAL 2 3HG1 VAL 2 8.865 -3.931 1.823
10 HG21 VAL 2 3HG2 VAL 2 11.286 -1.364 0.559
11 HG22 VAL 2 1HG2 VAL 2 11.183 -3.002 1.206
12 HG23 VAL 2 2HG2 VAL 2 10.811 -1.618 2.237
13 H ABA 3 H ABU 3 7.777 -4.708 -1.152
14 HA ABA 3 HA ABU 3 5.560 -3.309 -2.314
15 HB3 ABA 3 1HB ABU 3 5.872 -6.244 -1.661
16 HB2 ABA 3 2HB ABU 3 6.315 -5.504 -3.193
17 HG1 ABA 3 1HG ABU 3 3.965 -4.888 -3.555
18 HG3 ABA 3 3HG ABU 3 4.186 -6.629 -3.382
19 HG2 ABA 3 2HG ABU 3 3.533 -5.682 -2.041
20 H ARG 4 H ARG 4 4.266 -2.274 -1.049
21 HA ARG 4 HA ARG 4 3.314 -3.538 1.421
22 HB2 ARG 4 2HB ARG 4 2.882 -1.242 2.253
23 HB3 ARG 4 1HB ARG 4 4.585 -1.565 1.950
24 HG2 ARG 4 2HG ARG 4 4.448 -0.314 -0.146
25 HG3 ARG 4 1HG ARG 4 2.735 -0.005 0.150
26 HD2 ARG 4 2HD ARG 4 4.182 1.900 0.794
27 HD3 ARG 4 1HD ARG 4 3.262 1.244 2.148
28 HE ARG 4 HE ARG 4 5.601 -0.106 2.255
29 HH11 ARG 4 1HH1 ARG 4 4.806 3.343 2.318
30 HH12 ARG 4 2HH1 ARG 4 6.168 3.732 3.260
31 HH21 ARG 4 1HH2 ARG 4 7.396 0.474 3.552
32 HH22 ARG 4 2HH2 ARG 4 7.690 2.101 3.952
33 H CYS 5 H CYS 5 1.058 -2.768 1.943
34 HA CYS 5 HA CYS 5 -0.424 -2.312 -0.518
35 HB2 CYS 5 2HB CYS 5 -1.151 -4.391 1.555
36 HB3 CYS 5 1HB CYS 5 -2.063 -4.024 0.092
37 H VAL 6 H VAL 6 -1.847 -0.838 -0.404
38 HA VAL 6 HA VAL 6 -2.469 0.362 2.197
39 HB VAL 6 HB VAL 6 -2.996 1.454 -0.543
40 HG11 VAL 6 1HG1 VAL 6 -4.326 2.486 1.158
41 HG12 VAL 6 2HG1 VAL 6 -3.127 3.640 0.568
42 HG13 VAL 6 3HG1 VAL 6 -2.886 2.835 2.119
43 HG21 VAL 6 3HG2 VAL 6 -0.979 2.871 -0.309
44 HG22 VAL 6 1HG2 VAL 6 -0.588 1.155 -0.383
45 HG23 VAL 6 2HG2 VAL 6 -0.560 2.000 1.164
46 H ABA 7 H ABU 7 -4.425 0.045 2.888
47 HA ABA 7 HA ABU 7 -6.444 -1.016 1.078
48 HB3 ABA 7 1HB ABU 7 -6.224 -2.435 2.999
49 HB2 ABA 7 2HB ABU 7 -7.723 -1.540 3.196
50 HG1 ABA 7 1HG ABU 7 -5.142 -0.943 4.605
51 HG3 ABA 7 3HG ABU 7 -6.640 -0.029 4.770
52 HG2 ABA 7 2HG ABU 7 -6.564 -1.710 5.307
53 H ARG 8 H ARG 8 -7.089 0.722 0.023
54 HA ARG 8 HA ARG 8 -7.970 3.020 1.607
55 HB2 ARG 8 2HB ARG 8 -6.242 3.393 -0.153
56 HB3 ARG 8 1HB ARG 8 -7.416 2.887 -1.358
57 HG2 ARG 8 2HG ARG 8 -8.867 4.748 -0.737
58 HG3 ARG 8 1HG ARG 8 -7.690 5.253 0.479
59 HD2 ARG 8 2HD ARG 8 -7.249 5.131 -2.505
60 HD3 ARG 8 1HD ARG 8 -7.463 6.589 -1.544
61 HE ARG 8 HE ARG 8 -5.164 4.758 -1.390
62 HH11 ARG 8 1HH1 ARG 8 -6.493 7.997 -0.852
63 HH12 ARG 8 2HH1 ARG 8 -4.973 8.737 -0.678
64 HH21 ARG 8 1HH2 ARG 8 -3.099 5.773 -1.154
65 HH22 ARG 8 2HH2 ARG 8 -2.992 7.451 -0.859
66 H ARG 9 H ARG 9 -9.969 2.586 2.183
67 HA ARG 9 HA ARG 9 -12.173 2.282 2.149
68 HB2 ARG 9 2HB ARG 9 -12.016 4.390 0.824
69 HB3 ARG 9 1HB ARG 9 -11.986 3.435 -0.647
70 HG2 ARG 9 2HG ARG 9 -14.238 2.641 -0.200
71 HG3 ARG 9 1HG ARG 9 -14.271 3.533 1.319
72 HD2 ARG 9 2HD ARG 9 -13.916 4.767 -1.407
73 HD3 ARG 9 1HD ARG 9 -15.436 4.698 -0.522
74 HE ARG 9 HE ARG 9 -13.976 5.912 1.266
75 HH11 ARG 9 1HH1 ARG 9 -13.980 6.520 -2.228
76 HH12 ARG 9 2HH1 ARG 9 -13.604 8.157 -2.087
77 HH21 ARG 9 1HH2 ARG 9 -13.530 8.188 1.462
78 HH22 ARG 9 2HH2 ARG 9 -13.352 9.143 0.057
79 H GLY 10 H GLY 10 -11.054 -0.012 1.891
80 HA2 GLY 10 2HA GLY 10 -11.717 -2.130 1.458
81 HA3 GLY 10 1HA GLY 10 -12.942 -1.443 0.396
82 H VAL 11 H VAL 11 -10.263 -0.055 -0.771
83 HA VAL 11 HA VAL 11 -9.802 -2.265 -2.618
84 HB VAL 11 HB VAL 11 -9.136 0.681 -2.944
85 HG11 VAL 11 1HG1 VAL 11 -7.594 -0.736 -4.193
86 HG12 VAL 11 2HG1 VAL 11 -8.680 0.099 -5.305
87 HG13 VAL 11 3HG1 VAL 11 -8.947 -1.605 -4.914
88 HG21 VAL 11 3HG2 VAL 11 -10.959 0.718 -4.596
89 HG22 VAL 11 1HG2 VAL 11 -11.549 0.288 -2.991
90 HG23 VAL 11 2HG2 VAL 11 -11.336 -0.965 -4.209
91 H ABA 12 H ABU 12 -8.206 -3.466 -1.897
92 HA ABA 12 HA ABU 12 -5.972 -2.308 -0.481
93 HB3 ABA 12 1HB ABU 12 -6.504 -5.177 -1.311
94 HB2 ABA 12 2HB ABU 12 -6.912 -4.473 0.251
95 HG1 ABA 12 1HG ABU 12 -4.549 -4.125 0.731
96 HG3 ABA 12 3HG ABU 12 -4.895 -5.822 0.385
97 HG2 ABA 12 2HG ABU 12 -4.131 -4.811 -0.839
98 H ARG 13 H ARG 13 -4.700 -1.208 -1.749
99 HA ARG 13 HA ARG 13 -3.929 -2.288 -4.363
100 HB2 ARG 13 2HB ARG 13 -4.773 -0.005 -4.387
101 HB3 ARG 13 1HB ARG 13 -3.603 0.463 -3.164
102 HG2 ARG 13 2HG ARG 13 -1.777 0.009 -4.734
103 HG3 ARG 13 1HG ARG 13 -2.961 -0.449 -5.956
104 HD2 ARG 13 2HD ARG 13 -2.737 2.256 -4.652
105 HD3 ARG 13 1HD ARG 13 -2.156 1.836 -6.263
106 HE ARG 13 HE ARG 13 -4.873 1.182 -6.075
107 HH11 ARG 13 1HH1 ARG 13 -2.775 3.990 -6.278
108 HH12 ARG 13 2HH1 ARG 13 -3.960 5.011 -6.952
109 HH21 ARG 13 1HH2 ARG 13 -6.523 2.577 -6.978
110 HH22 ARG 13 2HH2 ARG 13 -6.135 4.195 -7.330
111 H CYS 14 H CYS 14 -2.048 -3.339 -4.447
112 HA CYS 14 HA CYS 14 -0.091 -2.786 -2.385
113 HB2 CYS 14 2HB CYS 14 -0.246 -5.058 -4.379
114 HB3 CYS 14 1HB CYS 14 1.008 -4.874 -3.163
115 H VAL 15 H VAL 15 1.707 -1.795 -2.719
116 HA VAL 15 HA VAL 15 2.563 -1.191 -5.424
117 HB VAL 15 HB VAL 15 1.089 0.623 -4.771
118 HG11 VAL 15 1HG1 VAL 15 1.214 0.520 -2.369
119 HG12 VAL 15 2HG1 VAL 15 1.612 2.154 -2.902
120 HG13 VAL 15 3HG1 VAL 15 2.894 1.051 -2.397
121 HG21 VAL 15 3HG2 VAL 15 2.622 2.560 -5.063
122 HG22 VAL 15 1HG2 VAL 15 2.941 1.243 -6.189
123 HG23 VAL 15 2HG2 VAL 15 3.984 1.474 -4.791
124 H ABA 16 H ABU 16 4.698 -0.778 -5.564
125 HA ABA 16 HA ABU 16 6.305 -1.652 -3.291
126 HB3 ABA 16 1HB ABU 16 8.124 -1.885 -4.943
127 HB2 ABA 16 2HB ABU 16 7.056 -1.277 -6.198
128 HG1 ABA 16 1HG ABU 16 7.225 -3.685 -6.323
129 HG3 ABA 16 3HG ABU 16 6.687 -3.826 -4.652
130 HG2 ABA 16 2HG ABU 16 5.587 -3.214 -5.880
131 H ARG 17 H ARG 17 6.960 -0.090 -2.019
132 HA ARG 17 HA ARG 17 7.896 2.413 -3.246
133 HB2 ARG 17 2HB ARG 17 6.068 2.904 -1.712
134 HB3 ARG 17 1HB ARG 17 6.831 1.949 -0.443
135 HG2 ARG 17 2HG ARG 17 8.666 3.514 -0.304
136 HG3 ARG 17 1HG ARG 17 8.020 4.452 -1.637
137 HD2 ARG 17 2HD ARG 17 6.670 4.012 1.018
138 HD3 ARG 17 1HD ARG 17 7.580 5.451 0.570
139 HE ARG 17 HE ARG 17 5.247 4.674 -1.032
140 HH11 ARG 17 1HH1 ARG 17 6.845 7.032 1.068
141 HH12 ARG 17 2HH1 ARG 17 5.602 8.181 0.980
142 HH21 ARG 17 1HH2 ARG 17 3.539 6.251 -1.186
143 HH22 ARG 17 2HH2 ARG 17 3.657 7.740 -0.362
144 H ARG 18 H ARG 18 9.972 2.564 -3.339
145 HA ARG 18 HA ARG 18 12.169 2.343 -2.994
146 HB2 ARG 18 2HB ARG 18 11.545 3.515 -0.830
147 HB3 ARG 18 1HB ARG 18 11.470 1.943 -0.058
148 HG2 ARG 18 2HG ARG 18 13.841 1.601 -0.506
149 HG3 ARG 18 1HG ARG 18 13.921 3.163 -1.312
150 HD2 ARG 18 2HD ARG 18 14.760 3.352 0.956
151 HD3 ARG 18 1HD ARG 18 13.264 4.259 0.784
152 HE ARG 18 HE ARG 18 12.758 1.645 1.748
153 HH11 ARG 18 1HH1 ARG 18 14.027 4.778 2.782
154 HH12 ARG 18 2HH1 ARG 18 13.547 4.624 4.401
155 HH21 ARG 18 1HH2 ARG 18 12.124 1.393 4.013
156 HH22 ARG 18 2HH2 ARG 18 12.419 2.644 5.112
Start of MODEL 18
1 H1 GLY 1 H GLY 1 10.986 -2.052 -4.348
2 HA2 GLY 1 2HA GLY 1 10.862 -4.169 -3.576
3 HA3 GLY 1 1HA GLY 1 12.271 -3.817 -2.587
4 H VAL 2 H VAL 2 10.345 -1.389 -1.690
5 HA VAL 2 HA VAL 2 9.274 -2.912 0.540
6 HB VAL 2 HB VAL 2 9.310 0.091 0.108
7 HG11 VAL 2 1HG1 VAL 2 8.896 0.220 2.520
8 HG12 VAL 2 2HG1 VAL 2 8.793 -1.532 2.600
9 HG13 VAL 2 3HG1 VAL 2 7.591 -0.622 1.686
10 HG21 VAL 2 3HG2 VAL 2 11.196 -1.631 1.716
11 HG22 VAL 2 1HG2 VAL 2 11.194 0.131 1.667
12 HG23 VAL 2 2HG2 VAL 2 11.576 -0.789 0.213
13 H ABA 3 H ABU 3 7.288 -3.676 0.347
14 HA ABA 3 HA ABU 3 5.471 -2.309 -1.480
15 HB3 ABA 3 1HB ABU 3 5.483 -5.190 -0.560
16 HB2 ABA 3 2HB ABU 3 6.020 -4.612 -2.129
17 HG1 ABA 3 1HG ABU 3 3.742 -3.874 -2.637
18 HG3 ABA 3 3HG ABU 3 3.802 -5.598 -2.272
19 HG2 ABA 3 2HG ABU 3 3.208 -4.457 -1.064
20 H ARG 4 H ARG 4 4.227 -1.015 -0.377
21 HA ARG 4 HA ARG 4 3.032 -2.042 2.089
22 HB2 ARG 4 2HB ARG 4 3.356 0.799 1.129
23 HB3 ARG 4 1HB ARG 4 2.205 0.383 2.384
24 HG2 ARG 4 2HG ARG 4 4.094 -0.563 3.710
25 HG3 ARG 4 1HG ARG 4 5.195 0.053 2.481
26 HD2 ARG 4 2HD ARG 4 4.998 1.568 4.431
27 HD3 ARG 4 1HD ARG 4 4.483 2.329 2.925
28 HE ARG 4 HE ARG 4 2.157 1.892 3.658
29 HH11 ARG 4 1HH1 ARG 4 4.657 2.017 6.214
30 HH12 ARG 4 2HH1 ARG 4 3.557 2.539 7.399
31 HH21 ARG 4 1HH2 ARG 4 0.719 2.602 5.298
32 HH22 ARG 4 2HH2 ARG 4 1.280 2.897 6.881
33 H CYS 5 H CYS 5 1.173 -2.966 1.828
34 HA CYS 5 HA CYS 5 -0.539 -2.072 -0.321
35 HB2 CYS 5 2HB CYS 5 -0.818 -4.390 1.576
36 HB3 CYS 5 1HB CYS 5 -1.989 -3.971 0.332
37 H VAL 6 H VAL 6 -1.794 -0.596 -0.075
38 HA VAL 6 HA VAL 6 -2.669 0.235 2.591
39 HB VAL 6 HB VAL 6 -3.127 1.680 0.043
40 HG11 VAL 6 1HG1 VAL 6 -4.294 2.534 1.931
41 HG12 VAL 6 2HG1 VAL 6 -3.064 3.701 1.442
42 HG13 VAL 6 3HG1 VAL 6 -2.794 2.671 2.849
43 HG21 VAL 6 3HG2 VAL 6 -1.002 2.985 0.381
44 HG22 VAL 6 1HG2 VAL 6 -0.760 1.290 -0.050
45 HG23 VAL 6 2HG2 VAL 6 -0.559 1.804 1.618
46 H ABA 7 H ABU 7 -4.529 -0.563 3.034
47 HA ABA 7 HA ABU 7 -6.427 -1.262 0.921
48 HB3 ABA 7 1HB ABU 7 -7.543 -2.617 2.682
49 HB2 ABA 7 2HB ABU 7 -6.294 -2.118 3.809
50 HG1 ABA 7 1HG ABU 7 -4.605 -3.219 2.423
51 HG3 ABA 7 3HG ABU 7 -5.853 -4.343 2.961
52 HG2 ABA 7 2HG ABU 7 -5.870 -3.737 1.307
53 H ARG 8 H ARG 8 -7.910 0.176 0.537
54 HA ARG 8 HA ARG 8 -9.029 1.653 2.772
55 HB2 ARG 8 2HB ARG 8 -9.062 3.707 1.334
56 HB3 ARG 8 1HB ARG 8 -7.485 3.208 1.915
57 HG2 ARG 8 2HG ARG 8 -6.917 2.317 -0.243
58 HG3 ARG 8 1HG ARG 8 -8.547 2.630 -0.844
59 HD2 ARG 8 2HD ARG 8 -6.967 4.329 -1.607
60 HD3 ARG 8 1HD ARG 8 -8.198 5.023 -0.555
61 HE ARG 8 HE ARG 8 -6.145 4.449 1.122
62 HH11 ARG 8 1HH1 ARG 8 -6.442 6.369 -1.831
63 HH12 ARG 8 2HH1 ARG 8 -5.228 7.474 -1.430
64 HH21 ARG 8 1HH2 ARG 8 -4.460 5.953 1.705
65 HH22 ARG 8 2HH2 ARG 8 -4.052 7.215 0.639
66 H ARG 9 H ARG 9 -10.966 0.991 2.866
67 HA ARG 9 HA ARG 9 -13.125 0.552 2.449
68 HB2 ARG 9 2HB ARG 9 -12.900 3.028 1.893
69 HB3 ARG 9 1HB ARG 9 -12.852 2.551 0.207
70 HG2 ARG 9 2HG ARG 9 -15.092 1.592 0.417
71 HG3 ARG 9 1HG ARG 9 -15.140 2.105 2.104
72 HD2 ARG 9 2HD ARG 9 -14.816 4.435 1.374
73 HD3 ARG 9 1HD ARG 9 -14.868 3.896 -0.302
74 HE ARG 9 HE ARG 9 -17.144 3.063 1.175
75 HH11 ARG 9 1HH1 ARG 9 -15.767 5.815 -0.562
76 HH12 ARG 9 2HH1 ARG 9 -17.270 6.559 -0.868
77 HH21 ARG 9 1HH2 ARG 9 -19.217 4.091 0.725
78 HH22 ARG 9 2HH2 ARG 9 -19.252 5.589 -0.096
79 H GLY 10 H GLY 10 -11.561 -1.360 1.419
80 HA2 GLY 10 2HA GLY 10 -12.151 -3.274 0.299
81 HA3 GLY 10 1HA GLY 10 -13.227 -2.282 -0.672
82 H VAL 11 H VAL 11 -10.686 -0.453 -0.954
83 HA VAL 11 HA VAL 11 -9.709 -1.929 -3.287
84 HB VAL 11 HB VAL 11 -9.390 1.026 -2.689
85 HG11 VAL 11 1HG1 VAL 11 -8.879 -0.576 -5.189
86 HG12 VAL 11 2HG1 VAL 11 -7.665 0.200 -4.169
87 HG13 VAL 11 3HG1 VAL 11 -8.808 1.179 -5.090
88 HG21 VAL 11 3HG2 VAL 11 -11.753 0.485 -3.015
89 HG22 VAL 11 1HG2 VAL 11 -11.365 -0.333 -4.530
90 HG23 VAL 11 2HG2 VAL 11 -11.125 1.408 -4.384
91 H ABA 12 H ABU 12 -7.797 -2.842 -3.113
92 HA ABA 12 HA ABU 12 -5.971 -1.922 -1.039
93 HB3 ABA 12 1HB ABU 12 -6.004 -4.491 -2.637
94 HB2 ABA 12 2HB ABU 12 -6.590 -4.308 -0.988
95 HG1 ABA 12 1HG ABU 12 -3.739 -3.971 -1.898
96 HG3 ABA 12 3HG ABU 12 -4.318 -3.769 -0.245
97 HG2 ABA 12 2HG ABU 12 -4.399 -5.352 -1.018
98 H ARG 13 H ARG 13 -4.563 -0.509 -1.715
99 HA ARG 13 HA ARG 13 -3.474 -0.724 -4.423
100 HB2 ARG 13 2HB ARG 13 -3.533 1.568 -2.465
101 HB3 ARG 13 1HB ARG 13 -2.535 1.582 -3.909
102 HG2 ARG 13 2HG ARG 13 -4.529 1.426 -5.303
103 HG3 ARG 13 1HG ARG 13 -5.544 1.372 -3.860
104 HD2 ARG 13 2HD ARG 13 -5.419 3.633 -4.888
105 HD3 ARG 13 1HD ARG 13 -4.851 3.587 -3.221
106 HE ARG 13 HE ARG 13 -2.761 3.248 -5.154
107 HH11 ARG 13 1HH1 ARG 13 -4.737 5.746 -3.622
108 HH12 ARG 13 2HH1 ARG 13 -3.524 6.928 -3.624
109 HH21 ARG 13 1HH2 ARG 13 -1.058 4.912 -5.178
110 HH22 ARG 13 2HH2 ARG 13 -1.395 6.434 -4.490
111 H CYS 14 H CYS 14 -1.665 -1.927 -4.429
112 HA CYS 14 HA CYS 14 0.123 -1.737 -2.122
113 HB2 CYS 14 2HB CYS 14 0.138 -3.735 -4.380
114 HB3 CYS 14 1HB CYS 14 1.216 -3.727 -2.992
115 H VAL 15 H VAL 15 1.659 -0.435 -2.205
116 HA VAL 15 HA VAL 15 2.701 0.430 -4.812
117 HB VAL 15 HB VAL 15 3.290 1.661 -2.134
118 HG11 VAL 15 1HG1 VAL 15 3.860 3.670 -3.450
119 HG12 VAL 15 2HG1 VAL 15 3.553 2.751 -4.924
120 HG13 VAL 15 3HG1 VAL 15 4.858 2.270 -3.845
121 HG21 VAL 15 3HG2 VAL 15 0.876 1.788 -2.418
122 HG22 VAL 15 1HG2 VAL 15 1.083 2.469 -4.031
123 HG23 VAL 15 2HG2 VAL 15 1.584 3.393 -2.616
124 H ABA 16 H ABU 16 4.659 -0.163 -5.361
125 HA ABA 16 HA ABU 16 6.350 -1.531 -3.396
126 HB3 ABA 16 1HB ABU 16 7.298 -2.733 -5.341
127 HB2 ABA 16 2HB ABU 16 6.138 -1.927 -6.386
128 HG1 ABA 16 1HG ABU 16 5.467 -3.847 -4.173
129 HG3 ABA 16 3HG ABU 16 4.305 -3.016 -5.206
130 HG2 ABA 16 2HG ABU 16 5.430 -4.184 -5.900
131 H ARG 17 H ARG 17 7.669 0.103 -2.774
132 HA ARG 17 HA ARG 17 9.066 1.492 -4.948
133 HB2 ARG 17 2HB ARG 17 7.599 2.969 -3.514
134 HB3 ARG 17 1HB ARG 17 8.648 2.585 -2.158
135 HG2 ARG 17 2HG ARG 17 10.549 3.562 -3.312
136 HG3 ARG 17 1HG ARG 17 9.533 3.912 -4.707
137 HD2 ARG 17 2HD ARG 17 9.775 5.926 -3.445
138 HD3 ARG 17 1HD ARG 17 8.127 5.351 -3.241
139 HE ARG 17 HE ARG 17 8.768 4.513 -1.063
140 HH11 ARG 17 1HH1 ARG 17 10.887 6.942 -2.559
141 HH12 ARG 17 2HH1 ARG 17 11.595 7.450 -1.112
142 HH21 ARG 17 1HH2 ARG 17 9.779 5.251 1.000
143 HH22 ARG 17 2HH2 ARG 17 10.939 6.477 0.935
144 H ARG 18 H ARG 18 10.932 0.656 -5.194
145 HA ARG 18 HA ARG 18 12.868 -0.385 -4.926
146 HB2 ARG 18 2HB ARG 18 13.406 1.866 -3.938
147 HB3 ARG 18 1HB ARG 18 13.090 1.196 -2.344
148 HG2 ARG 18 2HG ARG 18 15.466 1.229 -2.709
149 HG3 ARG 18 1HG ARG 18 14.910 -0.447 -2.719
150 HD2 ARG 18 2HD ARG 18 14.819 -0.255 -5.254
151 HD3 ARG 18 1HD ARG 18 15.678 1.269 -5.072
152 HE ARG 18 HE ARG 18 16.650 -1.387 -4.359
153 HH11 ARG 18 1HH1 ARG 18 17.360 2.013 -5.053
154 HH12 ARG 18 2HH1 ARG 18 19.045 1.784 -5.138
155 HH21 ARG 18 1HH2 ARG 18 18.959 -1.702 -4.572
156 HH22 ARG 18 2HH2 ARG 18 19.977 -0.375 -4.855
Start of MODEL 19
1 H1 GLY 1 H GLY 1 10.468 -0.429 -4.602
2 HA2 GLY 1 2HA GLY 1 10.655 -2.581 -5.373
3 HA3 GLY 1 1HA GLY 1 12.022 -2.755 -4.282
4 H VAL 2 H VAL 2 9.995 -1.565 -2.179
5 HA VAL 2 HA VAL 2 8.961 -4.210 -1.453
6 HB VAL 2 HB VAL 2 9.501 -1.794 0.296
7 HG11 VAL 2 1HG1 VAL 2 9.162 -3.352 2.162
8 HG12 VAL 2 2HG1 VAL 2 8.683 -4.597 1.004
9 HG13 VAL 2 3HG1 VAL 2 7.707 -3.139 1.186
10 HG21 VAL 2 3HG2 VAL 2 11.568 -2.762 -0.506
11 HG22 VAL 2 1HG2 VAL 2 11.047 -4.365 0.007
12 HG23 VAL 2 2HG2 VAL 2 11.364 -3.111 1.210
13 H ABA 3 H ABU 3 6.747 -4.434 -1.866
14 HA ABA 3 HA ABU 3 5.211 -2.097 -2.117
15 HB3 ABA 3 1HB ABU 3 5.039 -4.104 -3.595
16 HB2 ABA 3 2HB ABU 3 3.545 -3.523 -2.909
17 HG1 ABA 3 1HG ABU 3 3.511 -5.351 -1.318
18 HG3 ABA 3 3HG ABU 3 3.683 -5.994 -2.953
19 HG2 ABA 3 2HG ABU 3 5.080 -5.897 -1.872
20 H ARG 4 H ARG 4 3.974 -1.243 -0.691
21 HA ARG 4 HA ARG 4 3.457 -2.660 1.813
22 HB2 ARG 4 2HB ARG 4 3.530 0.307 1.221
23 HB3 ARG 4 1HB ARG 4 3.025 -0.375 2.767
24 HG2 ARG 4 2HG ARG 4 5.207 -1.403 3.052
25 HG3 ARG 4 1HG ARG 4 5.713 -0.778 1.488
26 HD2 ARG 4 2HD ARG 4 5.526 1.498 2.322
27 HD3 ARG 4 1HD ARG 4 4.945 0.892 3.882
28 HE ARG 4 HE ARG 4 7.219 -0.431 3.573
29 HH11 ARG 4 1HH1 ARG 4 6.548 3.054 3.455
30 HH12 ARG 4 2HH1 ARG 4 8.125 3.518 3.853
31 HH21 ARG 4 1HH2 ARG 4 9.384 0.214 4.141
32 HH22 ARG 4 2HH2 ARG 4 9.780 1.862 4.250
33 H CYS 5 H CYS 5 1.441 -3.174 2.295
34 HA CYS 5 HA CYS 5 -0.530 -2.536 0.231
35 HB2 CYS 5 2HB CYS 5 -0.436 -4.867 2.124
36 HB3 CYS 5 1HB CYS 5 -1.583 -4.626 0.803
37 H VAL 6 H VAL 6 -2.180 -1.376 0.683
38 HA VAL 6 HA VAL 6 -3.095 -1.117 3.454
39 HB VAL 6 HB VAL 6 -2.895 1.155 1.453
40 HG11 VAL 6 1HG1 VAL 6 -3.476 2.641 3.310
41 HG12 VAL 6 2HG1 VAL 6 -3.650 1.246 4.369
42 HG13 VAL 6 3HG1 VAL 6 -4.744 1.452 3.002
43 HG21 VAL 6 3HG2 VAL 6 -1.175 0.643 3.875
44 HG22 VAL 6 1HG2 VAL 6 -1.148 2.111 2.900
45 HG23 VAL 6 2HG2 VAL 6 -0.665 0.571 2.187
46 H ABA 7 H ABU 7 -5.317 -1.068 3.597
47 HA ABA 7 HA ABU 7 -6.783 -1.546 1.145
48 HB3 ABA 7 1HB ABU 7 -7.397 -3.090 2.878
49 HB2 ABA 7 2HB ABU 7 -8.748 -1.981 2.703
50 HG1 ABA 7 1HG ABU 7 -6.685 -1.894 4.881
51 HG3 ABA 7 3HG ABU 7 -8.012 -0.753 4.675
52 HG2 ABA 7 2HG ABU 7 -8.350 -2.450 5.030
53 H ARG 8 H ARG 8 -6.774 0.257 0.130
54 HA ARG 8 HA ARG 8 -7.819 2.675 1.420
55 HB2 ARG 8 2HB ARG 8 -5.527 2.772 0.435
56 HB3 ARG 8 1HB ARG 8 -6.213 2.352 -1.126
57 HG2 ARG 8 2HG ARG 8 -5.775 4.716 -1.034
58 HG3 ARG 8 1HG ARG 8 -7.517 4.446 -1.082
59 HD2 ARG 8 2HD ARG 8 -6.959 6.176 0.536
60 HD3 ARG 8 1HD ARG 8 -7.623 4.760 1.352
61 HE ARG 8 HE ARG 8 -4.774 4.717 1.218
62 HH11 ARG 8 1HH1 ARG 8 -7.493 6.028 3.092
63 HH12 ARG 8 2HH1 ARG 8 -6.544 6.329 4.469
64 HH21 ARG 8 1HH2 ARG 8 -3.518 5.130 3.172
65 HH22 ARG 8 2HH2 ARG 8 -4.308 5.831 4.509
66 H ARG 9 H ARG 9 -9.883 3.077 0.950
67 HA ARG 9 HA ARG 9 -11.872 3.254 -0.106
68 HB2 ARG 9 2HB ARG 9 -10.466 4.517 -1.767
69 HB3 ARG 9 1HB ARG 9 -10.209 3.030 -2.647
70 HG2 ARG 9 2HG ARG 9 -11.830 4.402 -3.790
71 HG3 ARG 9 1HG ARG 9 -12.623 2.957 -3.170
72 HD2 ARG 9 2HD ARG 9 -12.632 5.580 -1.704
73 HD3 ARG 9 1HD ARG 9 -13.850 5.177 -2.908
74 HE ARG 9 HE ARG 9 -14.078 3.100 -1.312
75 HH11 ARG 9 1HH1 ARG 9 -13.696 6.485 -0.415
76 HH12 ARG 9 2HH1 ARG 9 -14.743 6.403 0.927
77 HH21 ARG 9 1HH2 ARG 9 -15.476 2.961 0.595
78 HH22 ARG 9 2HH2 ARG 9 -15.752 4.355 1.523
79 H GLY 10 H GLY 10 -11.202 0.839 0.866
80 HA2 GLY 10 2HA GLY 10 -11.928 -1.313 0.926
81 HA3 GLY 10 1HA GLY 10 -12.932 -0.891 -0.457
82 H VAL 11 H VAL 11 -9.848 -0.177 -1.344
83 HA VAL 11 HA VAL 11 -9.529 -2.735 -2.706
84 HB VAL 11 HB VAL 11 -8.269 -0.045 -3.325
85 HG11 VAL 11 1HG1 VAL 11 -7.591 -1.054 -5.443
86 HG12 VAL 11 2HG1 VAL 11 -8.308 -2.583 -4.946
87 HG13 VAL 11 3HG1 VAL 11 -6.919 -1.940 -4.071
88 HG21 VAL 11 3HG2 VAL 11 -9.795 0.055 -5.247
89 HG22 VAL 11 1HG2 VAL 11 -10.672 0.034 -3.717
90 HG23 VAL 11 2HG2 VAL 11 -10.577 -1.429 -4.696
91 H ABA 12 H ABU 12 -8.144 -4.010 -1.656
92 HA ABA 12 HA ABU 12 -6.040 -2.906 -0.019
93 HB3 ABA 12 1HB ABU 12 -6.529 -5.783 -0.852
94 HB2 ABA 12 2HB ABU 12 -7.207 -5.047 0.595
95 HG1 ABA 12 1HG ABU 12 -5.263 -6.411 1.123
96 HG3 ABA 12 3HG ABU 12 -4.273 -5.425 0.043
97 HG2 ABA 12 2HG ABU 12 -4.974 -4.710 1.493
98 H ARG 13 H ARG 13 -4.721 -1.800 -1.273
99 HA ARG 13 HA ARG 13 -3.566 -3.186 -3.588
100 HB2 ARG 13 2HB ARG 13 -3.169 -0.979 -4.599
101 HB3 ARG 13 1HB ARG 13 -4.877 -1.259 -4.305
102 HG2 ARG 13 2HG ARG 13 -4.738 0.153 -2.289
103 HG3 ARG 13 1HG ARG 13 -3.036 0.448 -2.640
104 HD2 ARG 13 2HD ARG 13 -5.360 1.173 -4.424
105 HD3 ARG 13 1HD ARG 13 -4.455 2.293 -3.411
106 HE ARG 13 HE ARG 13 -2.740 0.894 -5.197
107 HH11 ARG 13 1HH1 ARG 13 -5.027 3.569 -5.092
108 HH12 ARG 13 2HH1 ARG 13 -4.351 4.379 -6.427
109 HH21 ARG 13 1HH2 ARG 13 -1.840 1.979 -7.046
110 HH22 ARG 13 2HH2 ARG 13 -2.525 3.454 -7.567
111 H CYS 14 H CYS 14 -1.336 -2.704 -4.025
112 HA CYS 14 HA CYS 14 0.106 -2.038 -1.574
113 HB2 CYS 14 2HB CYS 14 0.917 -4.068 -3.670
114 HB3 CYS 14 1HB CYS 14 1.701 -3.747 -2.127
115 H VAL 15 H VAL 15 1.451 -0.437 -1.753
116 HA VAL 15 HA VAL 15 2.159 0.469 -4.433
117 HB VAL 15 HB VAL 15 1.051 2.170 -3.192
118 HG11 VAL 15 1HG1 VAL 15 1.943 3.130 -1.080
119 HG12 VAL 15 2HG1 VAL 15 3.152 1.841 -1.048
120 HG13 VAL 15 3HG1 VAL 15 1.442 1.446 -0.907
121 HG21 VAL 15 3HG2 VAL 15 2.724 4.001 -3.179
122 HG22 VAL 15 1HG2 VAL 15 2.785 3.002 -4.631
123 HG23 VAL 15 2HG2 VAL 15 3.993 2.792 -3.363
124 H ABA 16 H ABU 16 4.133 0.530 -5.078
125 HA ABA 16 HA ABU 16 6.060 -1.034 -3.569
126 HB3 ABA 16 1HB ABU 16 7.348 -1.077 -5.666
127 HB2 ABA 16 2HB ABU 16 6.159 -0.015 -6.409
128 HG1 ABA 16 1HG ABU 16 5.644 -2.802 -5.398
129 HG3 ABA 16 3HG ABU 16 4.441 -1.727 -6.106
130 HG2 ABA 16 2HG ABU 16 5.792 -2.308 -7.084
131 H ARG 17 H ARG 17 7.201 0.027 -2.160
132 HA ARG 17 HA ARG 17 8.360 2.576 -2.957
133 HB2 ARG 17 2HB ARG 17 6.815 2.739 -1.044
134 HB3 ARG 17 1HB ARG 17 7.737 1.516 -0.189
135 HG2 ARG 17 2HG ARG 17 9.277 3.005 0.511
136 HG3 ARG 17 1HG ARG 17 9.296 3.853 -1.038
137 HD2 ARG 17 2HD ARG 17 7.096 4.085 1.023
138 HD3 ARG 17 1HD ARG 17 8.400 5.258 0.802
139 HE ARG 17 HE ARG 17 7.485 5.179 -1.635
140 HH11 ARG 17 1HH1 ARG 17 5.573 5.445 1.339
141 HH12 ARG 17 2HH1 ARG 17 4.256 6.214 0.576
142 HH21 ARG 17 1HH2 ARG 17 5.677 6.244 -2.663
143 HH22 ARG 17 2HH2 ARG 17 4.314 6.666 -1.733
144 H ARG 18 H ARG 18 10.233 2.171 -3.736
145 HA ARG 18 HA ARG 18 12.286 1.430 -4.129
146 HB2 ARG 18 2HB ARG 18 12.657 2.663 -1.980
147 HB3 ARG 18 1HB ARG 18 12.469 1.151 -1.115
148 HG2 ARG 18 2HG ARG 18 14.457 0.253 -2.135
149 HG3 ARG 18 1HG ARG 18 14.616 1.684 -3.158
150 HD2 ARG 18 2HD ARG 18 16.129 1.742 -1.219
151 HD3 ARG 18 1HD ARG 18 14.973 3.071 -1.220
152 HE ARG 18 HE ARG 18 14.149 0.767 0.283
153 HH11 ARG 18 1HH1 ARG 18 15.880 3.843 0.419
154 HH12 ARG 18 2HH1 ARG 18 15.706 4.018 2.101
155 HH21 ARG 18 1HH2 ARG 18 13.890 1.037 2.595
156 HH22 ARG 18 2HH2 ARG 18 14.554 2.416 3.351
Start of MODEL 20
1 H1 GLY 1 H GLY 1 11.420 -1.547 -4.098
2 HA2 GLY 1 2HA GLY 1 11.194 -3.761 -3.683
3 HA3 GLY 1 1HA GLY 1 12.478 -3.580 -2.500
4 H VAL 2 H VAL 2 10.280 -1.351 -1.580
5 HA VAL 2 HA VAL 2 9.151 -3.161 0.385
6 HB VAL 2 HB VAL 2 8.988 -0.136 0.245
7 HG11 VAL 2 1HG1 VAL 2 8.388 -2.031 2.510
8 HG12 VAL 2 2HG1 VAL 2 7.195 -1.152 1.556
9 HG13 VAL 2 3HG1 VAL 2 8.314 -0.271 2.597
10 HG21 VAL 2 3HG2 VAL 2 11.294 -0.835 0.503
11 HG22 VAL 2 1HG2 VAL 2 10.846 -1.895 1.839
12 HG23 VAL 2 2HG2 VAL 2 10.694 -0.150 2.012
13 H ABA 3 H ABU 3 7.273 -4.010 -0.027
14 HA ABA 3 HA ABU 3 5.461 -2.746 -1.923
15 HB3 ABA 3 1HB ABU 3 5.378 -5.512 -0.679
16 HB2 ABA 3 2HB ABU 3 6.056 -5.143 -2.258
17 HG1 ABA 3 1HG ABU 3 3.848 -4.442 -3.043
18 HG3 ABA 3 3HG ABU 3 3.833 -6.106 -2.459
19 HG2 ABA 3 2HG ABU 3 3.172 -4.814 -1.457
20 H ARG 4 H ARG 4 4.408 -1.230 -0.839
21 HA ARG 4 HA ARG 4 3.308 -1.811 1.799
22 HB2 ARG 4 2HB ARG 4 3.379 0.769 0.219
23 HB3 ARG 4 1HB ARG 4 2.766 0.597 1.856
24 HG2 ARG 4 2HG ARG 4 5.021 -0.062 2.600
25 HG3 ARG 4 1HG ARG 4 5.611 0.191 0.956
26 HD2 ARG 4 2HD ARG 4 4.965 2.525 1.058
27 HD3 ARG 4 1HD ARG 4 4.311 2.300 2.675
28 HE ARG 4 HE ARG 4 7.152 1.815 2.117
29 HH11 ARG 4 1HH1 ARG 4 4.660 3.547 3.970
30 HH12 ARG 4 2HH1 ARG 4 5.784 4.388 4.939
31 HH21 ARG 4 1HH2 ARG 4 8.673 2.976 3.513
32 HH22 ARG 4 2HH2 ARG 4 8.079 4.049 4.695
33 H CYS 5 H CYS 5 1.357 -2.678 1.808
34 HA CYS 5 HA CYS 5 -0.468 -2.066 -0.394
35 HB2 CYS 5 2HB CYS 5 -0.480 -4.367 1.547
36 HB3 CYS 5 1HB CYS 5 -1.711 -4.078 0.325
37 H VAL 6 H VAL 6 -1.982 -0.746 -0.028
38 HA VAL 6 HA VAL 6 -2.974 -0.479 2.690
39 HB VAL 6 HB VAL 6 -1.689 1.426 2.212
40 HG11 VAL 6 1HG1 VAL 6 -2.198 3.015 0.356
41 HG12 VAL 6 2HG1 VAL 6 -3.390 1.867 -0.259
42 HG13 VAL 6 3HG1 VAL 6 -1.687 1.432 -0.233
43 HG21 VAL 6 3HG2 VAL 6 -3.356 3.250 2.476
44 HG22 VAL 6 1HG2 VAL 6 -3.634 1.847 3.513
45 HG23 VAL 6 2HG2 VAL 6 -4.616 2.075 2.074
46 H ABA 7 H ABU 7 -4.935 -0.791 2.954
47 HA ABA 7 HA ABU 7 -6.692 -1.122 0.626
48 HB3 ABA 7 1HB ABU 7 -7.068 -2.172 3.448
49 HB2 ABA 7 2HB ABU 7 -6.466 -3.114 2.089
50 HG1 ABA 7 1HG ABU 7 -8.591 -2.868 0.944
51 HG3 ABA 7 3HG ABU 7 -8.820 -3.583 2.539
52 HG2 ABA 7 2HG ABU 7 -9.203 -1.883 2.266
53 H ARG 8 H ARG 8 -7.814 0.534 0.175
54 HA ARG 8 HA ARG 8 -8.759 2.214 2.366
55 HB2 ARG 8 2HB ARG 8 -8.090 3.003 -0.464
56 HB3 ARG 8 1HB ARG 8 -8.749 4.092 0.750
57 HG2 ARG 8 2HG ARG 8 -6.732 3.761 2.113
58 HG3 ARG 8 1HG ARG 8 -6.102 2.676 0.871
59 HD2 ARG 8 2HD ARG 8 -6.746 5.594 0.493
60 HD3 ARG 8 1HD ARG 8 -5.134 4.916 0.696
61 HE ARG 8 HE ARG 8 -6.402 3.636 -1.445
62 HH11 ARG 8 1HH1 ARG 8 -4.882 6.716 -0.626
63 HH12 ARG 8 2HH1 ARG 8 -4.639 7.170 -2.260
64 HH21 ARG 8 1HH2 ARG 8 -6.027 4.268 -3.677
65 HH22 ARG 8 2HH2 ARG 8 -5.278 5.776 -3.983
66 H ARG 9 H ARG 9 -10.776 1.659 2.709
67 HA ARG 9 HA ARG 9 -12.993 1.349 2.476
68 HB2 ARG 9 2HB ARG 9 -12.689 3.559 1.240
69 HB3 ARG 9 1HB ARG 9 -12.709 2.639 -0.249
70 HG2 ARG 9 2HG ARG 9 -14.860 3.683 0.143
71 HG3 ARG 9 1HG ARG 9 -15.010 1.928 0.248
72 HD2 ARG 9 2HD ARG 9 -15.182 1.977 2.579
73 HD3 ARG 9 1HD ARG 9 -14.578 3.632 2.680
74 HE ARG 9 HE ARG 9 -16.799 3.925 1.243
75 HH11 ARG 9 1HH1 ARG 9 -16.254 2.240 4.302
76 HH12 ARG 9 2HH1 ARG 9 -17.787 2.606 4.938
77 HH21 ARG 9 1HH2 ARG 9 -18.887 4.457 2.124
78 HH22 ARG 9 2HH2 ARG 9 -19.312 3.905 3.674
79 H GLY 10 H GLY 10 -11.330 -0.705 1.805
80 HA2 GLY 10 2HA GLY 10 -11.770 -2.891 1.154
81 HA3 GLY 10 1HA GLY 10 -13.067 -2.232 0.170
82 H VAL 11 H VAL 11 -10.782 -0.292 -0.795
83 HA VAL 11 HA VAL 11 -10.019 -2.014 -3.009
84 HB VAL 11 HB VAL 11 -9.538 0.960 -2.614
85 HG11 VAL 11 1HG1 VAL 11 -9.059 1.001 -5.025
86 HG12 VAL 11 2HG1 VAL 11 -9.239 -0.754 -5.079
87 HG13 VAL 11 3HG1 VAL 11 -7.926 -0.030 -4.150
88 HG21 VAL 11 3HG2 VAL 11 -11.645 -0.451 -4.251
89 HG22 VAL 11 1HG2 VAL 11 -11.364 1.289 -4.229
90 HG23 VAL 11 2HG2 VAL 11 -11.923 0.462 -2.773
91 H ABA 12 H ABU 12 -8.278 -3.206 -2.628
92 HA ABA 12 HA ABU 12 -6.171 -2.223 -0.862
93 HB3 ABA 12 1HB ABU 12 -6.472 -4.940 -2.179
94 HB2 ABA 12 2HB ABU 12 -7.050 -4.544 -0.565
95 HG1 ABA 12 1HG ABU 12 -4.938 -5.757 -0.482
96 HG3 ABA 12 3HG ABU 12 -4.172 -4.494 -1.450
97 HG2 ABA 12 2HG ABU 12 -4.766 -4.127 0.167
98 H ARG 13 H ARG 13 -4.511 -1.193 -1.653
99 HA ARG 13 HA ARG 13 -3.683 -1.785 -4.403
100 HB2 ARG 13 2HB ARG 13 -4.877 0.371 -4.252
101 HB3 ARG 13 1HB ARG 13 -3.739 0.899 -3.025
102 HG2 ARG 13 2HG ARG 13 -1.952 0.923 -4.603
103 HG3 ARG 13 1HG ARG 13 -2.977 0.164 -5.825
104 HD2 ARG 13 2HD ARG 13 -3.420 2.884 -4.605
105 HD3 ARG 13 1HD ARG 13 -2.772 2.570 -6.220
106 HE ARG 13 HE ARG 13 -5.523 2.187 -5.308
107 HH11 ARG 13 1HH1 ARG 13 -3.197 1.970 -7.982
108 HH12 ARG 13 2HH1 ARG 13 -4.388 1.911 -9.191
109 HH21 ARG 13 1HH2 ARG 13 -7.147 2.038 -6.976
110 HH22 ARG 13 2HH2 ARG 13 -6.683 1.913 -8.604
111 H CYS 14 H CYS 14 -1.498 -1.993 -4.704
112 HA CYS 14 HA CYS 14 0.143 -1.764 -2.277
113 HB2 CYS 14 2HB CYS 14 0.341 -3.885 -4.404
114 HB3 CYS 14 1HB CYS 14 1.406 -3.713 -3.019
115 H VAL 15 H VAL 15 1.658 -0.369 -2.469
116 HA VAL 15 HA VAL 15 2.749 0.174 -5.118
117 HB VAL 15 HB VAL 15 1.791 2.147 -4.220
118 HG11 VAL 15 1HG1 VAL 15 2.576 3.227 -2.115
119 HG12 VAL 15 2HG1 VAL 15 3.570 1.804 -1.797
120 HG13 VAL 15 3HG1 VAL 15 1.814 1.660 -1.834
121 HG21 VAL 15 3HG2 VAL 15 3.801 2.488 -5.500
122 HG22 VAL 15 1HG2 VAL 15 4.794 2.323 -4.053
123 HG23 VAL 15 2HG2 VAL 15 3.709 3.704 -4.230
124 H ABA 16 H ABU 16 4.703 -0.212 -5.557
125 HA ABA 16 HA ABU 16 6.389 -1.344 -3.447
126 HB3 ABA 16 1HB ABU 16 7.571 -2.495 -5.270
127 HB2 ABA 16 2HB ABU 16 6.471 -1.771 -6.428
128 HG1 ABA 16 1HG ABU 16 4.598 -2.965 -5.421
129 HG3 ABA 16 3HG ABU 16 5.856 -4.070 -5.976
130 HG2 ABA 16 2HG ABU 16 5.698 -3.707 -4.256
131 H ARG 17 H ARG 17 7.853 0.023 -2.784
132 HA ARG 17 HA ARG 17 9.313 1.597 -4.778
133 HB2 ARG 17 2HB ARG 17 7.686 3.093 -3.688
134 HB3 ARG 17 1HB ARG 17 8.317 2.631 -2.116
135 HG2 ARG 17 2HG ARG 17 10.490 3.613 -2.717
136 HG3 ARG 17 1HG ARG 17 9.819 4.116 -4.269
137 HD2 ARG 17 2HD ARG 17 9.810 5.946 -2.648
138 HD3 ARG 17 1HD ARG 17 8.166 5.497 -3.111
139 HE ARG 17 HE ARG 17 9.137 4.174 -0.773
140 HH11 ARG 17 1HH1 ARG 17 7.622 7.165 -1.901
141 HH12 ARG 17 2HH1 ARG 17 6.824 7.465 -0.422
142 HH21 ARG 17 1HH2 ARG 17 8.031 4.609 1.246
143 HH22 ARG 17 2HH2 ARG 17 7.054 6.009 1.374
144 H ARG 18 H ARG 18 11.371 1.042 -4.654
145 HA ARG 18 HA ARG 18 13.348 0.280 -3.957
146 HB2 ARG 18 2HB ARG 18 13.243 2.395 -2.600
147 HB3 ARG 18 1HB ARG 18 12.559 1.476 -1.272
148 HG2 ARG 18 2HG ARG 18 14.630 0.193 -1.082
149 HG3 ARG 18 1HG ARG 18 15.318 1.085 -2.436
150 HD2 ARG 18 2HD ARG 18 16.090 1.961 -0.283
151 HD3 ARG 18 1HD ARG 18 15.152 3.159 -1.177
152 HE ARG 18 HE ARG 18 13.510 1.681 0.600
153 HH11 ARG 18 1HH1 ARG 18 15.925 4.247 0.615
154 HH12 ARG 18 2HH1 ARG 18 15.298 5.047 1.977
155 HH21 ARG 18 1HH2 ARG 18 12.609 2.783 2.459
156 HH22 ARG 18 2HH2 ARG 18 13.359 4.188 3.061