Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
596976 | 2n5r RC | 25726 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 10.393 -3.743 -1.962
2 HA VAL 1 HA VAL 1 11.522 -1.197 -2.442
3 HB VAL 1 HB VAL 1 12.511 -3.396 -2.971
4 HG11 VAL 1 HG21 VAL 1 12.148 -4.522 -5.032
5 HG12 VAL 1 HG22 VAL 1 10.561 -4.358 -4.263
6 HG13 VAL 1 HG23 VAL 1 11.013 -3.288 -5.609
7 HG21 VAL 1 HG11 VAL 1 13.521 -1.296 -3.731
8 HG22 VAL 1 HG12 VAL 1 13.795 -2.617 -4.869
9 HG23 VAL 1 HG13 VAL 1 12.577 -1.380 -5.244
10 H ARG 2 H ARG 2 10.236 0.440 -2.699
11 HA ARG 2 HA ARG 2 8.361 1.653 -3.011
12 HB2 ARG 2 HB1 ARG 2 9.064 0.759 -5.743
13 HB3 ARG 2 HB2 ARG 2 7.381 1.186 -5.600
14 HG2 ARG 2 HG1 ARG 2 9.712 3.001 -4.842
15 HG3 ARG 2 HG2 ARG 2 8.751 3.073 -6.324
16 HD2 ARG 2 HD1 ARG 2 6.695 3.343 -4.800
17 HD3 ARG 2 HD2 ARG 2 7.835 3.686 -3.489
18 HE ARG 2 HE ARG 2 8.745 5.455 -5.228
19 HH11 ARG 2 HH12 ARG 2 5.397 4.825 -4.480
20 HH12 ARG 2 HH11 ARG 2 4.866 6.376 -5.089
21 HH21 ARG 2 HH22 ARG 2 8.014 7.422 -5.973
22 HH22 ARG 2 HH21 ARG 2 6.328 7.810 -5.913
23 H ARG 3 H ARG 3 8.092 -1.289 -2.249
24 HA ARG 3 HA ARG 3 5.277 -1.805 -2.753
25 HB2 ARG 3 HB1 ARG 3 7.438 -3.422 -2.573
26 HB3 ARG 3 HB2 ARG 3 6.942 -3.521 -0.907
27 HG2 ARG 3 HG1 ARG 3 5.867 -5.322 -1.801
28 HG3 ARG 3 HG2 ARG 3 4.590 -4.104 -1.839
29 HD2 ARG 3 HD1 ARG 3 4.943 -3.714 -4.219
30 HD3 ARG 3 HD2 ARG 3 6.244 -4.908 -4.229
31 HE ARG 3 HE ARG 3 4.650 -6.656 -3.650
32 HH11 ARG 3 HH12 ARG 3 3.162 -3.777 -4.952
33 HH12 ARG 3 HH11 ARG 3 1.692 -4.610 -5.373
34 HH21 ARG 3 HH22 ARG 3 2.724 -7.656 -4.186
35 HH22 ARG 3 HH21 ARG 3 1.450 -6.737 -4.915
36 H PHE 4 H PHE 4 6.041 -2.836 0.415
37 HA PHE 4 HA PHE 4 3.361 -2.199 0.924
38 HB2 PHE 4 HB1 PHE 4 5.346 -3.787 2.524
39 HB3 PHE 4 HB2 PHE 4 3.707 -3.522 3.060
40 HD1 PHE 4 HD1 PHE 4 3.145 -3.760 -0.356
41 HD2 PHE 4 HD2 PHE 4 4.147 -6.126 3.105
42 HE1 PHE 4 HE1 PHE 4 2.342 -5.765 -1.503
43 HE2 PHE 4 HE2 PHE 4 3.161 -8.114 1.998
44 HZ PHE 4 HZ PHE 4 2.289 -7.954 -0.318
45 H ASP 5 H ASP 5 4.048 0.164 0.852
46 HA ASP 5 HA ASP 5 2.105 0.552 3.035
47 HB2 ASP 5 HB1 ASP 5 2.071 2.882 2.730
48 HB3 ASP 5 HB2 ASP 5 3.739 2.441 3.166
49 H LEU 6 H LEU 6 3.032 0.835 -0.486
50 HA LEU 6 HA LEU 6 0.552 1.427 -1.374
51 HB2 LEU 6 HB1 LEU 6 1.407 1.257 -3.394
52 HB3 LEU 6 HB2 LEU 6 2.870 1.052 -2.485
53 HG LEU 6 HG LEU 6 3.152 -0.508 -4.074
54 HD11 LEU 6 HD21 LEU 6 2.905 -1.745 -1.725
55 HD12 LEU 6 HD22 LEU 6 1.547 -2.524 -2.516
56 HD13 LEU 6 HD23 LEU 6 3.160 -2.634 -3.235
57 HD21 LEU 6 HD11 LEU 6 1.526 -1.900 -5.168
58 HD22 LEU 6 HD12 LEU 6 0.956 -0.223 -5.188
59 HD23 LEU 6 HD13 LEU 6 0.246 -1.390 -4.052
60 H LEU 7 H LEU 7 0.756 -1.639 0.155
61 HA LEU 7 HA LEU 7 -1.987 -2.166 -0.915
62 HB2 LEU 7 HB1 LEU 7 -0.770 -3.924 1.175
63 HB3 LEU 7 HB2 LEU 7 -2.159 -4.199 0.135
64 HG LEU 7 HG LEU 7 0.750 -4.220 -0.619
65 HD11 LEU 7 HD21 LEU 7 -1.466 -6.336 -0.675
66 HD12 LEU 7 HD22 LEU 7 0.162 -6.593 -1.305
67 HD13 LEU 7 HD23 LEU 7 -0.074 -6.291 0.424
68 HD21 LEU 7 HD11 LEU 7 -1.514 -4.736 -2.568
69 HD22 LEU 7 HD12 LEU 7 -0.635 -3.203 -2.496
70 HD23 LEU 7 HD13 LEU 7 0.235 -4.686 -2.895
71 H LYS 8 H LYS 8 -0.453 -0.668 1.728
72 HA LYS 8 HA LYS 8 -2.903 -0.395 3.331
73 HB2 LYS 8 HB1 LYS 8 -0.418 1.334 3.619
74 HB3 LYS 8 HB2 LYS 8 -1.739 1.110 4.732
75 HG2 LYS 8 HG1 LYS 8 0.527 -0.785 4.073
76 HG3 LYS 8 HG2 LYS 8 0.082 -0.145 5.645
77 HD2 LYS 8 HD1 LYS 8 -1.751 -2.116 4.167
78 HD3 LYS 8 HD2 LYS 8 -0.381 -2.649 5.079
79 HE2 LYS 8 HE1 LYS 8 -2.641 -2.670 6.209
80 HE3 LYS 8 HE2 LYS 8 -1.294 -1.968 7.119
81 HZ1 LYS 8 HZ1 LYS 8 -2.096 0.203 6.647
82 HZ2 LYS 8 HZ2 LYS 8 -3.400 -0.639 7.183
83 HZ3 LYS 8 HZ3 LYS 8 -3.225 -0.318 5.577
84 H ARG 9 H ARG 9 -1.573 0.784 0.419
85 HA ARG 9 HA ARG 9 -3.515 3.029 0.238
86 HB2 ARG 9 HB1 ARG 9 -1.134 2.895 -0.792
87 HB3 ARG 9 HB2 ARG 9 -1.852 1.815 -1.976
88 HG2 ARG 9 HG1 ARG 9 -1.915 3.775 -3.084
89 HG3 ARG 9 HG2 ARG 9 -3.556 3.706 -2.448
90 HD2 ARG 9 HD1 ARG 9 -3.180 5.418 -0.907
91 HD3 ARG 9 HD2 ARG 9 -1.462 5.074 -0.749
92 HE ARG 9 HE ARG 9 -2.745 6.755 -2.793
93 HH11 ARG 9 HH12 ARG 9 0.289 5.297 -1.738
94 HH12 ARG 9 HH11 ARG 9 1.223 6.277 -2.801
95 HH21 ARG 9 HH22 ARG 9 -1.466 7.960 -4.150
96 HH22 ARG 9 HH21 ARG 9 0.248 7.715 -4.169
97 H ILE 10 H ILE 10 -3.419 -0.393 -0.987
98 HA ILE 10 HA ILE 10 -5.710 0.029 -2.672
99 HB ILE 10 HB ILE 10 -5.899 -2.281 -2.968
100 HG12 ILE 10 HG12 ILE 10 -3.973 -2.886 -0.726
101 HG13 ILE 10 HG13 ILE 10 -5.725 -3.026 -0.594
102 HG21 ILE 10 HG21 ILE 10 -4.185 -1.499 -4.292
103 HG22 ILE 10 HG22 ILE 10 -3.393 -2.866 -3.498
104 HG23 ILE 10 HG23 ILE 10 -3.075 -1.220 -2.955
105 HD11 ILE 10 HD11 ILE 10 -5.001 -5.180 -1.014
106 HD12 ILE 10 HD12 ILE 10 -3.825 -4.679 -2.241
107 HD13 ILE 10 HD13 ILE 10 -5.568 -4.622 -2.605
108 H LEU 11 H LEU 11 -5.572 -0.735 0.814
109 HA LEU 11 HA LEU 11 -8.373 -1.250 1.005
110 HB2 LEU 11 HB1 LEU 11 -8.085 -1.543 3.186
111 HB3 LEU 11 HB2 LEU 11 -6.438 -1.777 2.689
112 HG LEU 11 HG LEU 11 -7.048 1.063 3.472
113 HD11 LEU 11 HD21 LEU 11 -8.563 -0.120 5.024
114 HD12 LEU 11 HD22 LEU 11 -7.204 -1.116 5.588
115 HD13 LEU 11 HD23 LEU 11 -7.207 0.653 5.849
116 HD21 LEU 11 HD11 LEU 11 -5.006 -0.922 4.485
117 HD22 LEU 11 HD12 LEU 11 -4.860 0.160 3.077
118 HD23 LEU 11 HD13 LEU 11 -5.028 0.869 4.698
119 H LYS 12 H LYS 12 -7.067 1.651 0.156
120 HA LYS 12 HA LYS 12 -7.566 3.537 2.001
121 HB2 LYS 12 HB1 LYS 12 -7.449 5.209 0.243
122 HB3 LYS 12 HB2 LYS 12 -6.399 3.882 -0.140
123 HG2 LYS 12 HG1 LYS 12 -8.444 2.942 -1.560
124 HG3 LYS 12 HG2 LYS 12 -9.109 4.561 -1.371
125 HD2 LYS 12 HD1 LYS 12 -6.362 3.973 -2.545
126 HD3 LYS 12 HD2 LYS 12 -7.820 4.105 -3.524
127 HE2 LYS 12 HE1 LYS 12 -6.820 6.295 -1.647
128 HE3 LYS 12 HE2 LYS 12 -6.395 6.209 -3.367
129 HZ1 LYS 12 HZ1 LYS 12 -8.295 7.671 -3.034
130 HZ2 LYS 12 HZ2 LYS 12 -9.148 6.494 -2.275
131 HZ3 LYS 12 HZ3 LYS 12 -8.795 6.349 -3.869
Start of MODEL 2
1 H1 VAL 1 H VAL 1 12.715 -0.367 -0.757
2 HA VAL 1 HA VAL 1 10.441 -1.367 -0.019
3 HB VAL 1 HB VAL 1 11.036 1.484 0.792
4 HG11 VAL 1 HG21 VAL 1 8.987 0.506 1.836
5 HG12 VAL 1 HG22 VAL 1 10.273 0.666 3.017
6 HG13 VAL 1 HG23 VAL 1 9.914 -0.932 2.320
7 HG21 VAL 1 HG11 VAL 1 12.581 0.535 2.482
8 HG22 VAL 1 HG12 VAL 1 12.399 -1.072 1.757
9 HG23 VAL 1 HG13 VAL 1 13.185 0.251 0.867
10 H ARG 2 H ARG 2 9.961 -0.800 -2.704
11 HA ARG 2 HA ARG 2 7.618 1.055 -2.595
12 HB2 ARG 2 HB1 ARG 2 9.127 -0.034 -4.968
13 HB3 ARG 2 HB2 ARG 2 7.607 0.844 -5.100
14 HG2 ARG 2 HG1 ARG 2 10.219 1.923 -3.969
15 HG3 ARG 2 HG2 ARG 2 9.422 2.371 -5.479
16 HD2 ARG 2 HD1 ARG 2 7.418 3.040 -3.833
17 HD3 ARG 2 HD2 ARG 2 8.726 3.119 -2.640
18 HE ARG 2 HE ARG 2 9.096 4.584 -5.192
19 HH11 ARG 2 HH12 ARG 2 8.404 4.935 -1.766
20 HH12 ARG 2 HH11 ARG 2 8.438 6.669 -1.851
21 HH21 ARG 2 HH22 ARG 2 9.091 6.817 -5.215
22 HH22 ARG 2 HH21 ARG 2 8.786 7.693 -3.752
23 H ARG 3 H ARG 3 7.917 -2.225 -2.162
24 HA ARG 3 HA ARG 3 5.028 -1.955 -1.809
25 HB2 ARG 3 HB1 ARG 3 4.169 -3.390 -3.093
26 HB3 ARG 3 HB2 ARG 3 5.565 -3.226 -4.084
27 HG2 ARG 3 HG1 ARG 3 5.263 -5.565 -2.126
28 HG3 ARG 3 HG2 ARG 3 4.417 -5.480 -3.647
29 HD2 ARG 3 HD1 ARG 3 6.654 -5.158 -4.822
30 HD3 ARG 3 HD2 ARG 3 7.413 -5.587 -3.283
31 HE ARG 3 HE ARG 3 6.581 -7.786 -3.444
32 HH11 ARG 3 HH12 ARG 3 5.811 -6.065 -6.393
33 HH12 ARG 3 HH11 ARG 3 5.174 -7.490 -7.163
34 HH21 ARG 3 HH22 ARG 3 5.680 -9.555 -4.490
35 HH22 ARG 3 HH21 ARG 3 5.089 -9.391 -6.110
36 H PHE 4 H PHE 4 6.368 -1.658 0.477
37 HA PHE 4 HA PHE 4 3.814 -1.976 0.149
38 HB2 PHE 4 HB1 PHE 4 4.593 -4.094 2.099
39 HB3 PHE 4 HB2 PHE 4 3.026 -3.311 2.209
40 HD1 PHE 4 HD1 PHE 4 2.966 -3.396 -1.203
41 HD2 PHE 4 HD2 PHE 4 3.208 -6.110 2.134
42 HE1 PHE 4 HE1 PHE 4 2.060 -5.227 -2.599
43 HE2 PHE 4 HE2 PHE 4 2.253 -7.908 0.732
44 HZ PHE 4 HZ PHE 4 1.705 -7.481 -1.649
45 H ASP 5 H ASP 5 4.900 0.302 0.674
46 HA ASP 5 HA ASP 5 2.363 0.376 1.742
47 HB2 ASP 5 HB1 ASP 5 4.095 2.221 3.182
48 HB3 ASP 5 HB2 ASP 5 2.757 3.061 2.430
49 H LEU 6 H LEU 6 2.771 -0.279 -0.359
50 HA LEU 6 HA LEU 6 0.692 1.363 -1.278
51 HB2 LEU 6 HB1 LEU 6 1.008 1.784 -3.403
52 HB3 LEU 6 HB2 LEU 6 2.666 1.834 -2.883
53 HG LEU 6 HG LEU 6 2.903 0.755 -4.833
54 HD11 LEU 6 HD21 LEU 6 3.386 -1.493 -4.638
55 HD12 LEU 6 HD22 LEU 6 3.591 -0.831 -3.002
56 HD13 LEU 6 HD23 LEU 6 2.162 -1.805 -3.379
57 HD21 LEU 6 HD11 LEU 6 0.657 0.729 -5.621
58 HD22 LEU 6 HD12 LEU 6 1.347 -0.888 -5.845
59 HD23 LEU 6 HD13 LEU 6 0.211 -0.605 -4.506
60 H LEU 7 H LEU 7 -0.840 -0.051 -2.586
61 HA LEU 7 HA LEU 7 -2.542 -1.351 -1.874
62 HB2 LEU 7 HB1 LEU 7 -0.663 -3.178 -0.358
63 HB3 LEU 7 HB2 LEU 7 -2.393 -3.269 -0.364
64 HG LEU 7 HG LEU 7 -2.529 -3.847 -2.691
65 HD11 LEU 7 HD21 LEU 7 -0.732 -2.720 -3.779
66 HD12 LEU 7 HD22 LEU 7 0.473 -3.534 -2.747
67 HD13 LEU 7 HD23 LEU 7 -0.450 -4.463 -3.955
68 HD21 LEU 7 HD11 LEU 7 -2.179 -5.642 -1.015
69 HD22 LEU 7 HD12 LEU 7 -0.429 -5.493 -1.220
70 HD23 LEU 7 HD13 LEU 7 -1.442 -6.063 -2.563
71 H LYS 8 H LYS 8 -0.532 0.603 0.098
72 HA LYS 8 HA LYS 8 -2.380 1.434 1.865
73 HB2 LYS 8 HB1 LYS 8 -1.536 3.592 1.672
74 HB3 LYS 8 HB2 LYS 8 -0.247 2.566 1.106
75 HG2 LYS 8 HG1 LYS 8 -1.162 3.186 -1.297
76 HG3 LYS 8 HG2 LYS 8 -2.028 4.473 -0.460
77 HD2 LYS 8 HD1 LYS 8 0.748 4.484 0.435
78 HD3 LYS 8 HD2 LYS 8 0.730 4.343 -1.311
79 HE2 LYS 8 HE1 LYS 8 0.990 6.586 -0.894
80 HE3 LYS 8 HE2 LYS 8 -0.703 6.451 -1.375
81 HZ1 LYS 8 HZ1 LYS 8 -0.431 7.860 0.586
82 HZ2 LYS 8 HZ2 LYS 8 0.337 6.667 1.407
83 HZ3 LYS 8 HZ3 LYS 8 -1.253 6.510 1.040
84 H ARG 9 H ARG 9 -2.969 1.369 -1.571
85 HA ARG 9 HA ARG 9 -5.596 2.641 -1.505
86 HB2 ARG 9 HB1 ARG 9 -5.811 1.967 -3.816
87 HB3 ARG 9 HB2 ARG 9 -4.226 2.676 -3.529
88 HG2 ARG 9 HG1 ARG 9 -3.216 0.395 -3.488
89 HG3 ARG 9 HG2 ARG 9 -4.819 -0.311 -3.791
90 HD2 ARG 9 HD1 ARG 9 -4.958 0.759 -5.971
91 HD3 ARG 9 HD2 ARG 9 -3.527 1.735 -5.635
92 HE ARG 9 HE ARG 9 -2.237 0.095 -6.466
93 HH11 ARG 9 HH11 ARG 9 -5.166 -1.616 -5.667
94 HH12 ARG 9 HH12 ARG 9 -4.415 -3.174 -5.811
95 HH21 ARG 9 HH21 ARG 9 -1.352 -1.925 -6.729
96 HH22 ARG 9 HH22 ARG 9 -2.309 -3.330 -6.381
97 H ILE 10 H ILE 10 -4.754 -0.345 -0.352
98 HA ILE 10 HA ILE 10 -7.465 -1.584 -0.744
99 HB ILE 10 HB ILE 10 -4.850 -2.764 0.220
100 HG12 ILE 10 HG12 ILE 10 -4.811 -2.387 -2.240
101 HG13 ILE 10 HG13 ILE 10 -4.673 -4.058 -1.748
102 HG21 ILE 10 HG21 ILE 10 -5.903 -4.976 0.135
103 HG22 ILE 10 HG22 ILE 10 -7.487 -4.218 -0.138
104 HG23 ILE 10 HG23 ILE 10 -6.593 -3.929 1.371
105 HD11 ILE 10 HD11 ILE 10 -6.021 -3.935 -3.714
106 HD12 ILE 10 HD12 ILE 10 -7.077 -4.444 -2.399
107 HD13 ILE 10 HD13 ILE 10 -7.130 -2.759 -2.989
108 H LEU 11 H LEU 11 -5.058 -0.494 1.686
109 HA LEU 11 HA LEU 11 -6.555 -0.537 4.030
110 HB2 LEU 11 HB1 LEU 11 -4.527 0.192 4.582
111 HB3 LEU 11 HB2 LEU 11 -4.180 0.737 2.983
112 HG LEU 11 HG LEU 11 -5.542 2.914 3.689
113 HD11 LEU 11 HD21 LEU 11 -6.132 1.978 5.999
114 HD12 LEU 11 HD22 LEU 11 -4.400 2.054 6.383
115 HD13 LEU 11 HD23 LEU 11 -5.303 3.535 5.979
116 HD21 LEU 11 HD11 LEU 11 -3.372 3.842 4.673
117 HD22 LEU 11 HD12 LEU 11 -3.335 3.195 3.044
118 HD23 LEU 11 HD13 LEU 11 -2.684 2.228 4.401
119 H LYS 12 H LYS 12 -7.380 1.341 1.271
120 HA LYS 12 HA LYS 12 -8.149 3.764 2.091
121 HB2 LYS 12 HB1 LYS 12 -9.589 3.997 0.264
122 HB3 LYS 12 HB2 LYS 12 -8.314 2.910 -0.215
123 HG2 LYS 12 HG1 LYS 12 -11.262 2.282 0.175
124 HG3 LYS 12 HG2 LYS 12 -10.293 2.285 -1.275
125 HD2 LYS 12 HD1 LYS 12 -10.209 0.067 -1.082
126 HD3 LYS 12 HD2 LYS 12 -8.973 0.390 0.101
127 HE2 LYS 12 HE1 LYS 12 -10.333 -1.091 1.274
128 HE3 LYS 12 HE2 LYS 12 -10.958 0.454 1.845
129 HZ1 LYS 12 HZ1 LYS 12 -12.744 -1.028 1.206
130 HZ2 LYS 12 HZ2 LYS 12 -12.728 0.240 0.160
131 HZ3 LYS 12 HZ3 LYS 12 -12.132 -1.228 -0.303
Start of MODEL 3
1 H1 VAL 1 H VAL 1 9.627 -4.780 -1.601
2 HA VAL 1 HA VAL 1 12.044 -4.035 -3.159
3 HB VAL 1 HB VAL 1 11.971 -6.317 -3.375
4 HG11 VAL 1 HG21 VAL 1 10.044 -7.403 -4.817
5 HG12 VAL 1 HG22 VAL 1 9.062 -6.143 -4.050
6 HG13 VAL 1 HG23 VAL 1 9.964 -7.315 -3.062
7 HG21 VAL 1 HG11 VAL 1 12.100 -6.587 -5.736
8 HG22 VAL 1 HG12 VAL 1 11.027 -5.221 -6.027
9 HG23 VAL 1 HG13 VAL 1 12.639 -4.955 -5.320
10 H ARG 2 H ARG 2 11.198 -1.964 -2.915
11 HA ARG 2 HA ARG 2 9.775 -0.191 -3.021
12 HB2 ARG 2 HB1 ARG 2 11.036 0.131 -4.884
13 HB3 ARG 2 HB2 ARG 2 10.266 -1.096 -5.855
14 HG2 ARG 2 HG1 ARG 2 9.925 1.161 -6.635
15 HG3 ARG 2 HG2 ARG 2 8.428 0.291 -6.418
16 HD2 ARG 2 HD1 ARG 2 9.249 1.910 -4.051
17 HD3 ARG 2 HD2 ARG 2 9.097 2.856 -5.531
18 HE ARG 2 HE ARG 2 6.847 1.121 -4.616
19 HH11 ARG 2 HH12 ARG 2 7.994 4.365 -5.305
20 HH12 ARG 2 HH11 ARG 2 6.480 5.118 -4.916
21 HH21 ARG 2 HH22 ARG 2 5.013 2.277 -3.780
22 HH22 ARG 2 HH21 ARG 2 4.938 3.990 -4.003
23 H ARG 3 H ARG 3 8.367 -2.037 -1.815
24 HA ARG 3 HA ARG 3 5.831 -0.875 -2.555
25 HB2 ARG 3 HB1 ARG 3 4.329 -2.619 -2.410
26 HB3 ARG 3 HB2 ARG 3 5.369 -2.685 -3.762
27 HG2 ARG 3 HG1 ARG 3 5.590 -4.553 -1.373
28 HG3 ARG 3 HG2 ARG 3 4.695 -4.877 -2.824
29 HD2 ARG 3 HD1 ARG 3 7.658 -4.678 -2.523
30 HD3 ARG 3 HD2 ARG 3 6.718 -6.071 -3.025
31 HE ARG 3 HE ARG 3 7.862 -3.908 -4.580
32 HH11 ARG 3 HH12 ARG 3 5.031 -5.953 -5.041
33 HH12 ARG 3 HH11 ARG 3 4.921 -5.526 -6.648
34 HH21 ARG 3 HH22 ARG 3 7.801 -3.610 -6.471
35 HH22 ARG 3 HH21 ARG 3 6.498 -4.088 -7.565
36 H PHE 4 H PHE 4 5.737 -3.134 0.083
37 HA PHE 4 HA PHE 4 3.376 -1.886 0.389
38 HB2 PHE 4 HB1 PHE 4 4.710 -4.131 1.760
39 HB3 PHE 4 HB2 PHE 4 3.163 -3.628 2.362
40 HD1 PHE 4 HD1 PHE 4 2.810 -3.086 -1.115
41 HD2 PHE 4 HD2 PHE 4 3.059 -6.244 1.792
42 HE1 PHE 4 HE1 PHE 4 2.107 -4.727 -2.833
43 HE2 PHE 4 HE2 PHE 4 2.191 -7.845 0.105
44 HZ PHE 4 HZ PHE 4 1.796 -7.101 -2.233
45 H ASP 5 H ASP 5 5.113 0.420 1.546
46 HA ASP 5 HA ASP 5 2.221 0.837 2.073
47 HB2 ASP 5 HB1 ASP 5 2.763 3.158 2.741
48 HB3 ASP 5 HB2 ASP 5 3.247 1.822 3.770
49 H LEU 6 H LEU 6 2.584 -0.222 0.002
50 HA LEU 6 HA LEU 6 0.710 1.386 -1.370
51 HB2 LEU 6 HB1 LEU 6 1.246 1.140 -3.636
52 HB3 LEU 6 HB2 LEU 6 2.673 1.769 -2.846
53 HG LEU 6 HG LEU 6 3.672 -0.531 -2.915
54 HD11 LEU 6 HD21 LEU 6 2.803 -2.111 -4.674
55 HD12 LEU 6 HD22 LEU 6 1.282 -1.189 -4.697
56 HD13 LEU 6 HD23 LEU 6 1.850 -2.034 -3.222
57 HD21 LEU 6 HD11 LEU 6 3.766 -0.439 -5.650
58 HD22 LEU 6 HD12 LEU 6 3.187 1.197 -5.301
59 HD23 LEU 6 HD13 LEU 6 4.697 0.564 -4.583
60 H LEU 7 H LEU 7 -0.739 -0.220 -2.662
61 HA LEU 7 HA LEU 7 -2.525 -1.432 -1.975
62 HB2 LEU 7 HB1 LEU 7 -0.753 -3.271 -0.351
63 HB3 LEU 7 HB2 LEU 7 -2.483 -3.334 -0.396
64 HG LEU 7 HG LEU 7 -2.552 -4.111 -2.680
65 HD11 LEU 7 HD21 LEU 7 -0.851 -2.924 -3.762
66 HD12 LEU 7 HD22 LEU 7 -0.319 -4.620 -3.817
67 HD13 LEU 7 HD23 LEU 7 0.366 -3.506 -2.595
68 HD21 LEU 7 HD11 LEU 7 -2.204 -5.822 -0.963
69 HD22 LEU 7 HD12 LEU 7 -0.455 -5.549 -0.988
70 HD23 LEU 7 HD13 LEU 7 -1.274 -6.255 -2.400
71 H LYS 8 H LYS 8 -0.502 0.424 0.073
72 HA LYS 8 HA LYS 8 -2.396 1.379 1.793
73 HB2 LYS 8 HB1 LYS 8 -1.401 3.400 1.708
74 HB3 LYS 8 HB2 LYS 8 -0.143 2.434 0.979
75 HG2 LYS 8 HG1 LYS 8 -1.334 3.216 -1.305
76 HG3 LYS 8 HG2 LYS 8 -2.033 4.466 -0.252
77 HD2 LYS 8 HD1 LYS 8 0.502 4.767 0.527
78 HD3 LYS 8 HD2 LYS 8 0.824 3.951 -1.011
79 HE2 LYS 8 HE1 LYS 8 -0.637 6.577 -0.690
80 HE3 LYS 8 HE2 LYS 8 1.051 6.355 -1.174
81 HZ1 LYS 8 HZ1 LYS 8 -0.363 6.649 -3.095
82 HZ2 LYS 8 HZ2 LYS 8 0.290 5.139 -3.112
83 HZ3 LYS 8 HZ3 LYS 8 -1.294 5.362 -2.677
84 H ARG 9 H ARG 9 -3.204 0.736 -1.454
85 HA ARG 9 HA ARG 9 -5.527 2.612 -1.366
86 HB2 ARG 9 HB1 ARG 9 -5.767 2.663 -3.587
87 HB3 ARG 9 HB2 ARG 9 -4.027 2.518 -3.485
88 HG2 ARG 9 HG1 ARG 9 -4.593 -0.103 -3.849
89 HG3 ARG 9 HG2 ARG 9 -6.110 0.567 -4.449
90 HD2 ARG 9 HD1 ARG 9 -4.985 0.486 -6.422
91 HD3 ARG 9 HD2 ARG 9 -4.488 2.107 -5.928
92 HE ARG 9 HE ARG 9 -2.675 0.080 -4.942
93 HH11 ARG 9 HH11 ARG 9 -3.490 1.506 -8.043
94 HH12 ARG 9 HH12 ARG 9 -1.986 1.038 -8.762
95 HH21 ARG 9 HH21 ARG 9 -0.803 -0.575 -5.976
96 HH22 ARG 9 HH22 ARG 9 -0.488 -0.037 -7.592
97 H ILE 10 H ILE 10 -4.697 -0.637 -0.911
98 HA ILE 10 HA ILE 10 -7.435 -1.736 -0.830
99 HB ILE 10 HB ILE 10 -4.748 -2.855 0.010
100 HG12 ILE 10 HG12 ILE 10 -4.598 -2.547 -2.386
101 HG13 ILE 10 HG13 ILE 10 -4.587 -4.226 -1.912
102 HG21 ILE 10 HG21 ILE 10 -5.642 -5.086 -0.045
103 HG22 ILE 10 HG22 ILE 10 -7.269 -4.467 -0.375
104 HG23 ILE 10 HG23 ILE 10 -6.444 -4.090 1.162
105 HD11 ILE 10 HD11 ILE 10 -5.755 -3.756 -4.035
106 HD12 ILE 10 HD12 ILE 10 -6.710 -4.674 -2.865
107 HD13 ILE 10 HD13 ILE 10 -7.043 -2.934 -3.133
108 H LEU 11 H LEU 11 -4.938 -0.308 1.403
109 HA LEU 11 HA LEU 11 -6.397 -0.610 3.796
110 HB2 LEU 11 HB1 LEU 11 -4.600 0.350 4.619
111 HB3 LEU 11 HB2 LEU 11 -4.052 0.802 3.043
112 HG LEU 11 HG LEU 11 -5.740 2.919 3.574
113 HD11 LEU 11 HD21 LEU 11 -6.252 2.051 5.881
114 HD12 LEU 11 HD22 LEU 11 -4.520 2.138 6.266
115 HD13 LEU 11 HD23 LEU 11 -5.419 3.619 5.915
116 HD21 LEU 11 HD11 LEU 11 -2.979 3.091 4.787
117 HD22 LEU 11 HD12 LEU 11 -3.967 4.316 3.962
118 HD23 LEU 11 HD13 LEU 11 -3.233 3.022 3.030
119 H LYS 12 H LYS 12 -7.132 1.499 1.213
120 HA LYS 12 HA LYS 12 -8.858 2.899 0.678
121 HB2 LYS 12 HB1 LYS 12 -9.842 2.925 3.570
122 HB3 LYS 12 HB2 LYS 12 -10.430 3.865 2.233
123 HG2 LYS 12 HG1 LYS 12 -11.981 2.143 2.808
124 HG3 LYS 12 HG2 LYS 12 -11.453 2.053 1.149
125 HD2 LYS 12 HD1 LYS 12 -11.406 -0.123 1.496
126 HD3 LYS 12 HD2 LYS 12 -9.845 0.104 2.233
127 HE2 LYS 12 HE1 LYS 12 -12.503 0.125 3.749
128 HE3 LYS 12 HE2 LYS 12 -11.580 -1.347 3.452
129 HZ1 LYS 12 HZ1 LYS 12 -11.147 -0.363 5.655
130 HZ2 LYS 12 HZ2 LYS 12 -9.771 -0.478 4.750
131 HZ3 LYS 12 HZ3 LYS 12 -10.470 0.965 4.941
Start of MODEL 4
1 H1 VAL 1 H VAL 1 11.227 -0.366 0.984
2 HA VAL 1 HA VAL 1 11.054 1.666 -0.232
3 HB VAL 1 HB VAL 1 11.889 1.325 -2.633
4 HG11 VAL 1 HG21 VAL 1 13.389 1.944 -0.813
5 HG12 VAL 1 HG22 VAL 1 14.184 0.884 -1.985
6 HG13 VAL 1 HG23 VAL 1 13.655 0.227 -0.419
7 HG21 VAL 1 HG11 VAL 1 12.903 -0.748 -3.298
8 HG22 VAL 1 HG12 VAL 1 12.451 -1.544 -1.782
9 HG23 VAL 1 HG13 VAL 1 11.201 -1.070 -2.958
10 H ARG 2 H ARG 2 9.250 -1.042 -1.552
11 HA ARG 2 HA ARG 2 7.130 0.723 -2.518
12 HB2 ARG 2 HB1 ARG 2 9.154 0.454 -4.314
13 HB3 ARG 2 HB2 ARG 2 8.221 -0.961 -4.761
14 HG2 ARG 2 HG1 ARG 2 7.569 0.900 -6.139
15 HG3 ARG 2 HG2 ARG 2 6.207 0.549 -5.071
16 HD2 ARG 2 HD1 ARG 2 6.680 2.476 -3.690
17 HD3 ARG 2 HD2 ARG 2 8.270 2.699 -4.404
18 HE ARG 2 HE ARG 2 5.671 3.514 -5.512
19 HH11 ARG 2 HH11 ARG 2 9.104 3.290 -6.101
20 HH12 ARG 2 HH12 ARG 2 9.039 4.266 -7.537
21 HH21 ARG 2 HH21 ARG 2 5.637 4.755 -7.395
22 HH22 ARG 2 HH22 ARG 2 7.120 5.067 -8.239
23 H ARG 3 H ARG 3 7.486 -1.635 -0.795
24 HA ARG 3 HA ARG 3 4.752 -1.550 -0.844
25 HB2 ARG 3 HB2 ARG 3 4.071 -3.899 -0.462
26 HB3 ARG 3 HB1 ARG 3 4.494 -3.525 -2.086
27 HG2 ARG 3 HG1 ARG 3 6.406 -5.038 -0.317
28 HG3 ARG 3 HG2 ARG 3 5.076 -5.785 -1.199
29 HD2 ARG 3 HD1 ARG 3 7.503 -4.433 -2.374
30 HD3 ARG 3 HD2 ARG 3 7.018 -6.118 -2.510
31 HE ARG 3 HE ARG 3 5.963 -3.789 -4.007
32 HH11 ARG 3 HH11 ARG 3 5.376 -7.198 -3.392
33 HH12 ARG 3 HH12 ARG 3 4.687 -7.459 -4.968
34 HH21 ARG 3 HH21 ARG 3 5.206 -4.250 -6.060
35 HH22 ARG 3 HH22 ARG 3 4.603 -5.835 -6.428
36 H PHE 4 H PHE 4 5.332 -1.161 2.452
37 HA PHE 4 HA PHE 4 3.253 -2.807 1.113
38 HB2 PHE 4 HB1 PHE 4 4.766 -3.144 3.563
39 HB3 PHE 4 HB2 PHE 4 3.107 -2.854 4.023
40 HD1 PHE 4 HD1 PHE 4 5.296 -4.922 1.836
41 HD2 PHE 4 HD2 PHE 4 1.406 -4.513 3.633
42 HE1 PHE 4 HE1 PHE 4 4.634 -7.145 0.929
43 HE2 PHE 4 HE2 PHE 4 0.736 -6.719 2.704
44 HZ PHE 4 HZ PHE 4 2.347 -8.028 1.344
45 H ASP 5 H ASP 5 3.493 0.352 1.592
46 HA ASP 5 HA ASP 5 0.807 0.706 2.744
47 HB2 ASP 5 HB1 ASP 5 1.203 3.114 2.203
48 HB3 ASP 5 HB2 ASP 5 2.104 2.369 3.535
49 H LEU 6 H LEU 6 2.412 1.480 -0.338
50 HA LEU 6 HA LEU 6 0.407 1.961 -2.006
51 HB2 LEU 6 HB1 LEU 6 1.708 1.539 -3.753
52 HB3 LEU 6 HB2 LEU 6 2.905 1.378 -2.496
53 HG LEU 6 HG LEU 6 3.469 -0.311 -3.877
54 HD11 LEU 6 HD21 LEU 6 3.102 -2.372 -3.000
55 HD12 LEU 6 HD22 LEU 6 1.456 -2.077 -2.547
56 HD13 LEU 6 HD23 LEU 6 2.746 -1.311 -1.595
57 HD21 LEU 6 HD11 LEU 6 2.119 -1.795 -5.203
58 HD22 LEU 6 HD12 LEU 6 1.668 -0.119 -5.558
59 HD23 LEU 6 HD13 LEU 6 0.622 -1.139 -4.545
60 H LEU 7 H LEU 7 0.089 -0.963 -0.423
61 HA LEU 7 HA LEU 7 -2.171 -1.709 -2.172
62 HB2 LEU 7 HB1 LEU 7 -1.829 -3.940 -2.028
63 HB3 LEU 7 HB2 LEU 7 -0.207 -3.327 -2.143
64 HG LEU 7 HG LEU 7 0.047 -4.963 -0.611
65 HD11 LEU 7 HD21 LEU 7 -0.446 -2.546 1.142
66 HD12 LEU 7 HD22 LEU 7 1.073 -3.104 0.400
67 HD13 LEU 7 HD23 LEU 7 0.270 -4.055 1.663
68 HD21 LEU 7 HD11 LEU 7 -2.782 -4.535 -0.006
69 HD22 LEU 7 HD12 LEU 7 -1.820 -4.903 1.446
70 HD23 LEU 7 HD13 LEU 7 -1.782 -5.987 0.044
71 H LYS 8 H LYS 8 -1.491 -0.468 0.907
72 HA LYS 8 HA LYS 8 -4.256 -0.979 1.902
73 HB2 LYS 8 HB1 LYS 8 -2.533 1.372 2.753
74 HB3 LYS 8 HB2 LYS 8 -3.882 0.620 3.577
75 HG2 LYS 8 HG1 LYS 8 -1.017 -0.251 3.426
76 HG3 LYS 8 HG2 LYS 8 -2.027 0.033 4.841
77 HD2 LYS 8 HD1 LYS 8 -3.350 -2.066 4.142
78 HD3 LYS 8 HD2 LYS 8 -2.065 -2.378 2.973
79 HE2 LYS 8 HE1 LYS 8 -1.918 -2.405 5.990
80 HE3 LYS 8 HE2 LYS 8 -1.536 -3.689 4.834
81 HZ1 LYS 8 HZ1 LYS 8 0.040 -1.233 5.342
82 HZ2 LYS 8 HZ2 LYS 8 0.336 -2.194 4.069
83 HZ3 LYS 8 HZ3 LYS 8 0.525 -2.781 5.598
84 H ARG 9 H ARG 9 -2.383 1.249 -0.062
85 HA ARG 9 HA ARG 9 -4.582 2.934 -0.909
86 HB2 ARG 9 HB1 ARG 9 -2.203 3.526 -1.111
87 HB3 ARG 9 HB2 ARG 9 -1.964 2.257 -2.311
88 HG2 ARG 9 HG1 ARG 9 -3.242 3.374 -3.966
89 HG3 ARG 9 HG2 ARG 9 -4.062 4.372 -2.762
90 HD2 ARG 9 HD1 ARG 9 -2.692 5.996 -3.278
91 HD3 ARG 9 HD2 ARG 9 -1.446 5.156 -2.365
92 HE ARG 9 HE ARG 9 -0.910 4.020 -4.639
93 HH11 ARG 9 HH11 ARG 9 -2.083 7.323 -4.449
94 HH12 ARG 9 HH12 ARG 9 -1.211 7.829 -5.860
95 HH21 ARG 9 HH21 ARG 9 0.146 4.738 -6.493
96 HH22 ARG 9 HH22 ARG 9 0.011 6.406 -6.969
97 H ILE 10 H ILE 10 -4.118 -0.381 -1.545
98 HA ILE 10 HA ILE 10 -5.893 -0.257 -3.949
99 HB ILE 10 HB ILE 10 -4.233 -2.517 -2.788
100 HG12 ILE 10 HG12 ILE 10 -4.170 -1.202 -5.544
101 HG13 ILE 10 HG13 ILE 10 -3.142 -0.688 -4.222
102 HG21 ILE 10 HG21 ILE 10 -5.065 -3.906 -4.685
103 HG22 ILE 10 HG22 ILE 10 -6.225 -2.624 -5.088
104 HG23 ILE 10 HG23 ILE 10 -6.339 -3.504 -3.550
105 HD11 ILE 10 HD11 ILE 10 -1.894 -2.138 -5.691
106 HD12 ILE 10 HD12 ILE 10 -2.085 -2.920 -4.116
107 HD13 ILE 10 HD13 ILE 10 -3.067 -3.445 -5.498
108 H LEU 11 H LEU 11 -5.783 -1.286 -0.550
109 HA LEU 11 HA LEU 11 -8.518 -2.268 -0.650
110 HB2 LEU 11 HB1 LEU 11 -7.925 -3.392 1.139
111 HB3 LEU 11 HB2 LEU 11 -6.320 -2.804 0.875
112 HG LEU 11 HG LEU 11 -7.325 -0.753 2.425
113 HD11 LEU 11 HD21 LEU 11 -9.504 -2.004 2.711
114 HD12 LEU 11 HD22 LEU 11 -8.613 -3.327 3.451
115 HD13 LEU 11 HD23 LEU 11 -8.654 -1.740 4.247
116 HD21 LEU 11 HD11 LEU 11 -6.423 -2.975 4.136
117 HD22 LEU 11 HD12 LEU 11 -5.766 -1.350 3.890
118 HD23 LEU 11 HD13 LEU 11 -5.348 -2.670 2.776
119 H LYS 12 H LYS 12 -7.257 0.908 -0.287
120 HA LYS 12 HA LYS 12 -10.012 1.858 0.457
121 HB2 LYS 12 HB1 LYS 12 -7.526 3.586 0.702
122 HB3 LYS 12 HB2 LYS 12 -9.124 3.860 1.367
123 HG2 LYS 12 HG1 LYS 12 -7.066 1.814 2.288
124 HG3 LYS 12 HG2 LYS 12 -7.478 3.309 3.097
125 HD2 LYS 12 HD1 LYS 12 -9.386 0.970 2.698
126 HD3 LYS 12 HD2 LYS 12 -8.435 1.247 4.148
127 HE2 LYS 12 HE1 LYS 12 -9.786 2.872 4.931
128 HE3 LYS 12 HE2 LYS 12 -9.978 3.634 3.350
129 HZ1 LYS 12 HZ1 LYS 12 -12.067 2.659 4.206
130 HZ2 LYS 12 HZ2 LYS 12 -11.626 1.986 2.772
131 HZ3 LYS 12 HZ3 LYS 12 -11.399 1.157 4.163
Start of MODEL 5
1 H1 VAL 1 H VAL 1 11.127 -2.041 -0.847
2 HA VAL 1 HA VAL 1 11.891 -0.729 -3.387
3 HB VAL 1 HB VAL 1 11.206 -2.577 -4.765
4 HG11 VAL 1 HG21 VAL 1 13.565 -2.381 -4.004
5 HG12 VAL 1 HG22 VAL 1 13.224 -3.509 -2.675
6 HG13 VAL 1 HG23 VAL 1 13.105 -4.057 -4.359
7 HG21 VAL 1 HG11 VAL 1 10.864 -4.867 -3.856
8 HG22 VAL 1 HG12 VAL 1 10.767 -4.196 -2.222
9 HG23 VAL 1 HG13 VAL 1 9.543 -3.773 -3.444
10 H ARG 2 H ARG 2 10.347 0.284 -4.369
11 HA ARG 2 HA ARG 2 8.260 1.620 -3.470
12 HB2 ARG 2 HB1 ARG 2 9.182 0.746 -6.124
13 HB3 ARG 2 HB2 ARG 2 7.468 1.048 -6.137
14 HG2 ARG 2 HG1 ARG 2 8.624 3.013 -6.814
15 HG3 ARG 2 HG2 ARG 2 7.784 3.321 -5.295
16 HD2 ARG 2 HD1 ARG 2 9.892 3.209 -4.055
17 HD3 ARG 2 HD2 ARG 2 10.755 2.685 -5.511
18 HE ARG 2 HE ARG 2 9.385 5.348 -5.341
19 HH11 ARG 2 HH12 ARG 2 12.436 3.675 -5.844
20 HH12 ARG 2 HH11 ARG 2 13.197 5.095 -6.491
21 HH21 ARG 2 HH22 ARG 2 10.434 7.102 -6.240
22 HH22 ARG 2 HH21 ARG 2 12.097 6.963 -6.699
23 H ARG 3 H ARG 3 7.279 0.341 -1.894
24 HA ARG 3 HA ARG 3 4.685 -0.782 -2.347
25 HB2 ARG 3 HB1 ARG 3 6.219 -2.601 -3.227
26 HB3 ARG 3 HB2 ARG 3 6.954 -2.709 -1.644
27 HG2 ARG 3 HG1 ARG 3 4.316 -3.245 -1.046
28 HG3 ARG 3 HG2 ARG 3 4.387 -3.786 -2.702
29 HD2 ARG 3 HD1 ARG 3 4.792 -5.617 -1.183
30 HD3 ARG 3 HD2 ARG 3 6.196 -5.336 -2.215
31 HE ARG 3 HE ARG 3 7.181 -4.075 -0.220
32 HH11 ARG 3 HH12 ARG 3 5.411 -7.055 0.071
33 HH12 ARG 3 HH11 ARG 3 6.066 -7.400 1.645
34 HH21 ARG 3 HH22 ARG 3 7.872 -4.499 1.882
35 HH22 ARG 3 HH21 ARG 3 7.394 -5.985 2.630
36 H PHE 4 H PHE 4 5.083 -2.333 0.221
37 HA PHE 4 HA PHE 4 3.106 -1.010 0.438
38 HB2 PHE 4 HB1 PHE 4 4.294 -2.678 2.571
39 HB3 PHE 4 HB2 PHE 4 2.686 -2.068 2.827
40 HD1 PHE 4 HD2 PHE 4 1.603 -2.188 0.002
41 HD2 PHE 4 HD1 PHE 4 3.812 -5.038 2.316
42 HE1 PHE 4 HE2 PHE 4 0.857 -3.985 -1.525
43 HE2 PHE 4 HE1 PHE 4 2.936 -6.858 0.863
44 HZ PHE 4 HZ PHE 4 1.531 -6.319 -1.108
45 H ASP 5 H ASP 5 4.148 1.748 0.657
46 HA ASP 5 HA ASP 5 1.376 1.770 1.541
47 HB2 ASP 5 HB1 ASP 5 1.255 4.135 1.103
48 HB3 ASP 5 HB2 ASP 5 2.401 3.557 2.331
49 H LEU 6 H LEU 6 1.993 0.105 -0.823
50 HA LEU 6 HA LEU 6 -0.556 1.054 -2.070
51 HB2 LEU 6 HB1 LEU 6 0.053 -0.100 -4.167
52 HB3 LEU 6 HB2 LEU 6 0.886 1.377 -3.717
53 HG LEU 6 HG LEU 6 2.908 0.246 -3.186
54 HD11 LEU 6 HD21 LEU 6 1.405 -2.337 -3.777
55 HD12 LEU 6 HD22 LEU 6 3.161 -2.201 -3.705
56 HD13 LEU 6 HD23 LEU 6 2.215 -1.857 -2.252
57 HD21 LEU 6 HD11 LEU 6 2.410 0.847 -5.547
58 HD22 LEU 6 HD12 LEU 6 3.520 -0.515 -5.397
59 HD23 LEU 6 HD13 LEU 6 1.815 -0.813 -5.825
60 H LEU 7 H LEU 7 -0.011 -1.239 0.111
61 HA LEU 7 HA LEU 7 -2.676 -2.255 -0.788
62 HB2 LEU 7 HB1 LEU 7 -2.745 -4.090 0.405
63 HB3 LEU 7 HB2 LEU 7 -1.265 -4.158 -0.474
64 HG LEU 7 HG LEU 7 -0.137 -4.691 1.373
65 HD11 LEU 7 HD21 LEU 7 0.101 -3.493 3.375
66 HD12 LEU 7 HD22 LEU 7 -1.421 -2.621 3.135
67 HD13 LEU 7 HD23 LEU 7 0.008 -2.279 2.102
68 HD21 LEU 7 HD11 LEU 7 -2.102 -5.987 1.863
69 HD22 LEU 7 HD12 LEU 7 -1.378 -5.419 3.370
70 HD23 LEU 7 HD13 LEU 7 -2.844 -4.628 2.740
71 H LYS 8 H LYS 8 -1.143 -0.187 1.532
72 HA LYS 8 HA LYS 8 -3.788 0.344 2.727
73 HB2 LYS 8 HB1 LYS 8 -1.432 2.226 2.780
74 HB3 LYS 8 HB2 LYS 8 -2.862 2.243 3.782
75 HG2 LYS 8 HG1 LYS 8 -0.367 0.648 4.024
76 HG3 LYS 8 HG2 LYS 8 -1.257 1.503 5.258
77 HD2 LYS 8 HD1 LYS 8 -2.635 -0.921 4.260
78 HD3 LYS 8 HD2 LYS 8 -1.049 -1.235 4.916
79 HE2 LYS 8 HE1 LYS 8 -3.141 0.270 6.515
80 HE3 LYS 8 HE2 LYS 8 -3.114 -1.489 6.413
81 HZ1 LYS 8 HZ1 LYS 8 -1.907 -0.826 8.339
82 HZ2 LYS 8 HZ2 LYS 8 -0.833 -1.456 7.284
83 HZ3 LYS 8 HZ3 LYS 8 -0.914 0.174 7.497
84 H ARG 9 H ARG 9 -2.861 0.514 -0.338
85 HA ARG 9 HA ARG 9 -4.875 2.617 -1.025
86 HB2 ARG 9 HB1 ARG 9 -2.989 1.064 -2.840
87 HB3 ARG 9 HB2 ARG 9 -4.279 2.122 -3.401
88 HG2 ARG 9 HG1 ARG 9 -3.262 4.063 -2.288
89 HG3 ARG 9 HG2 ARG 9 -2.022 3.039 -1.574
90 HD2 ARG 9 HD1 ARG 9 -0.956 4.111 -3.353
91 HD3 ARG 9 HD2 ARG 9 -1.235 2.469 -3.918
92 HE ARG 9 HE ARG 9 -3.115 3.268 -5.264
93 HH11 ARG 9 HH11 ARG 9 -0.788 5.743 -4.365
94 HH12 ARG 9 HH12 ARG 9 -1.402 6.861 -5.547
95 HH21 ARG 9 HH21 ARG 9 -3.910 4.800 -6.666
96 HH22 ARG 9 HH22 ARG 9 -3.118 6.335 -6.801
97 H ILE 10 H ILE 10 -4.218 -0.876 -1.638
98 HA ILE 10 HA ILE 10 -6.738 -1.404 -2.778
99 HB ILE 10 HB ILE 10 -4.864 -3.285 -1.306
100 HG12 ILE 10 HG13 ILE 10 -5.101 -2.961 -4.332
101 HG13 ILE 10 HG12 ILE 10 -4.032 -1.926 -3.408
102 HG21 ILE 10 HG21 ILE 10 -5.911 -5.094 -2.655
103 HG22 ILE 10 HG22 ILE 10 -7.098 -4.343 -1.593
104 HG23 ILE 10 HG23 ILE 10 -7.078 -3.934 -3.314
105 HD11 ILE 10 HD11 ILE 10 -2.673 -3.677 -4.199
106 HD12 ILE 10 HD12 ILE 10 -3.823 -4.929 -3.696
107 HD13 ILE 10 HD13 ILE 10 -2.913 -4.008 -2.474
108 H LEU 11 H LEU 11 -5.907 -1.556 0.720
109 HA LEU 11 HA LEU 11 -8.589 -2.503 1.339
110 HB2 LEU 11 HB1 LEU 11 -7.705 -3.265 3.170
111 HB3 LEU 11 HB2 LEU 11 -6.175 -2.820 2.517
112 HG LEU 11 HG LEU 11 -6.913 -0.488 3.914
113 HD11 LEU 11 HD21 LEU 11 -8.805 -1.820 4.977
114 HD12 LEU 11 HD22 LEU 11 -7.603 -2.961 5.596
115 HD13 LEU 11 HD23 LEU 11 -7.598 -1.269 6.143
116 HD21 LEU 11 HD11 LEU 11 -4.715 -1.542 3.862
117 HD22 LEU 11 HD12 LEU 11 -5.251 -1.148 5.521
118 HD23 LEU 11 HD13 LEU 11 -5.293 -2.831 4.940
119 H LYS 12 H LYS 12 -8.477 0.179 -0.034
120 HA LYS 12 HA LYS 12 -9.084 2.232 1.956
121 HB2 LYS 12 HB1 LYS 12 -8.672 2.203 -0.912
122 HB3 LYS 12 HB2 LYS 12 -10.252 2.849 -0.647
123 HG2 LYS 12 HG1 LYS 12 -8.820 4.681 -0.766
124 HG3 LYS 12 HG2 LYS 12 -9.318 4.559 0.914
125 HD2 LYS 12 HD1 LYS 12 -6.843 3.085 0.618
126 HD3 LYS 12 HD2 LYS 12 -6.672 4.607 -0.270
127 HE2 LYS 12 HE1 LYS 12 -7.437 5.869 1.739
128 HE3 LYS 12 HE2 LYS 12 -7.529 4.353 2.648
129 HZ1 LYS 12 HZ1 LYS 12 -5.385 5.641 2.893
130 HZ2 LYS 12 HZ2 LYS 12 -5.184 4.061 2.405
131 HZ3 LYS 12 HZ3 LYS 12 -5.036 5.255 1.326
Start of MODEL 6
1 H1 VAL 1 H VAL 1 10.134 -5.037 -2.483
2 HA VAL 1 HA VAL 1 12.038 -3.056 -3.589
3 HB VAL 1 HB VAL 1 11.858 -5.725 -4.462
4 HG11 VAL 1 HG21 VAL 1 11.472 -5.571 -6.868
5 HG12 VAL 1 HG22 VAL 1 10.869 -3.914 -6.696
6 HG13 VAL 1 HG23 VAL 1 9.981 -5.284 -5.974
7 HG21 VAL 1 HG11 VAL 1 13.843 -4.302 -4.421
8 HG22 VAL 1 HG12 VAL 1 13.610 -5.003 -6.022
9 HG23 VAL 1 HG13 VAL 1 13.184 -3.302 -5.741
10 H ARG 2 H ARG 2 10.946 -1.303 -3.440
11 HA ARG 2 HA ARG 2 9.215 0.155 -3.222
12 HB2 ARG 2 HB1 ARG 2 9.666 -0.553 -6.072
13 HB3 ARG 2 HB2 ARG 2 8.268 0.451 -5.798
14 HG2 ARG 2 HG1 ARG 2 11.010 1.082 -4.646
15 HG3 ARG 2 HG2 ARG 2 10.454 1.686 -6.202
16 HD2 ARG 2 HD1 ARG 2 9.139 2.268 -3.505
17 HD3 ARG 2 HD2 ARG 2 10.206 3.351 -4.387
18 HE ARG 2 HE ARG 2 8.533 3.402 -6.218
19 HH11 ARG 2 HH12 ARG 2 7.339 2.809 -2.947
20 HH12 ARG 2 HH11 ARG 2 5.777 3.440 -3.319
21 HH21 ARG 2 HH22 ARG 2 6.504 4.143 -6.610
22 HH22 ARG 2 HH21 ARG 2 5.333 4.202 -5.327
23 H ARG 3 H ARG 3 8.051 -2.332 -2.295
24 HA ARG 3 HA ARG 3 5.284 -1.269 -2.636
25 HB2 ARG 3 HB1 ARG 3 4.162 -3.180 -2.668
26 HB3 ARG 3 HB2 ARG 3 5.412 -3.231 -3.854
27 HG2 ARG 3 HG1 ARG 3 5.438 -4.865 -1.275
28 HG3 ARG 3 HG2 ARG 3 4.919 -5.397 -2.879
29 HD2 ARG 3 HD1 ARG 3 7.290 -4.532 -3.594
30 HD3 ARG 3 HD2 ARG 3 7.692 -4.787 -1.901
31 HE ARG 3 HE ARG 3 7.514 -7.136 -2.250
32 HH11 ARG 3 HH12 ARG 3 6.864 -5.415 -5.192
33 HH12 ARG 3 HH11 ARG 3 6.681 -6.855 -6.157
34 HH21 ARG 3 HH22 ARG 3 7.377 -8.987 -3.556
35 HH22 ARG 3 HH21 ARG 3 7.003 -8.811 -5.244
36 H PHE 4 H PHE 4 5.344 -3.487 -0.099
37 HA PHE 4 HA PHE 4 3.096 -2.298 0.185
38 HB2 PHE 4 HB1 PHE 4 4.384 -4.416 1.722
39 HB3 PHE 4 HB2 PHE 4 2.788 -3.925 2.184
40 HD1 PHE 4 HD1 PHE 4 2.556 -3.457 -1.311
41 HD2 PHE 4 HD2 PHE 4 3.011 -6.622 1.584
42 HE1 PHE 4 HE1 PHE 4 1.947 -5.117 -3.016
43 HE2 PHE 4 HE2 PHE 4 2.276 -8.254 -0.123
44 HZ PHE 4 HZ PHE 4 1.801 -7.514 -2.443
45 H ASP 5 H ASP 5 4.801 -0.038 1.602
46 HA ASP 5 HA ASP 5 1.969 0.690 2.047
47 HB2 ASP 5 HB1 ASP 5 2.704 2.916 2.826
48 HB3 ASP 5 HB2 ASP 5 3.068 1.502 3.807
49 H LEU 6 H LEU 6 3.442 0.174 -0.630
50 HA LEU 6 HA LEU 6 0.781 1.321 -1.310
51 HB2 LEU 6 HB1 LEU 6 1.163 1.903 -3.243
52 HB3 LEU 6 HB2 LEU 6 2.831 1.537 -3.057
53 HG LEU 6 HG LEU 6 2.276 0.784 -5.108
54 HD11 LEU 6 HD21 LEU 6 3.578 -0.899 -4.314
55 HD12 LEU 6 HD22 LEU 6 2.279 -1.649 -3.348
56 HD13 LEU 6 HD23 LEU 6 2.246 -1.740 -5.126
57 HD21 LEU 6 HD11 LEU 6 0.435 -0.455 -5.885
58 HD22 LEU 6 HD12 LEU 6 -0.147 0.963 -5.003
59 HD23 LEU 6 HD13 LEU 6 -0.229 -0.669 -4.282
60 H LEU 7 H LEU 7 -0.575 -0.292 -2.650
61 HA LEU 7 HA LEU 7 -2.375 -1.428 -1.966
62 HB2 LEU 7 HB1 LEU 7 -0.527 -3.249 -0.409
63 HB3 LEU 7 HB2 LEU 7 -2.261 -3.358 -0.339
64 HG LEU 7 HG LEU 7 -2.492 -3.911 -2.653
65 HD11 LEU 7 HD21 LEU 7 -0.904 -2.809 -3.916
66 HD12 LEU 7 HD22 LEU 7 0.444 -3.324 -2.863
67 HD13 LEU 7 HD23 LEU 7 -0.356 -4.486 -3.964
68 HD21 LEU 7 HD11 LEU 7 -2.050 -5.712 -1.043
69 HD22 LEU 7 HD12 LEU 7 -0.313 -5.487 -1.223
70 HD23 LEU 7 HD13 LEU 7 -1.283 -6.100 -2.585
71 H LYS 8 H LYS 8 -0.745 0.697 -0.091
72 HA LYS 8 HA LYS 8 -3.217 1.037 1.535
73 HB2 LYS 8 HB1 LYS 8 -1.234 3.222 1.132
74 HB3 LYS 8 HB2 LYS 8 -2.401 2.987 2.402
75 HG2 LYS 8 HG1 LYS 8 0.310 1.908 2.060
76 HG3 LYS 8 HG2 LYS 8 -0.372 2.654 3.456
77 HD2 LYS 8 HD1 LYS 8 -0.722 -0.265 2.600
78 HD3 LYS 8 HD2 LYS 8 0.454 0.370 3.718
79 HE2 LYS 8 HE1 LYS 8 -1.355 1.133 5.232
80 HE3 LYS 8 HE2 LYS 8 -2.541 0.344 4.169
81 HZ1 LYS 8 HZ1 LYS 8 -1.764 -1.086 6.048
82 HZ2 LYS 8 HZ2 LYS 8 -1.413 -1.770 4.587
83 HZ3 LYS 8 HZ3 LYS 8 -0.236 -1.038 5.451
84 H ARG 9 H ARG 9 -3.230 0.533 -1.334
85 HA ARG 9 HA ARG 9 -5.438 2.477 -1.757
86 HB2 ARG 9 HB1 ARG 9 -3.868 0.996 -3.879
87 HB3 ARG 9 HB2 ARG 9 -5.573 1.322 -4.135
88 HG2 ARG 9 HG1 ARG 9 -5.321 3.491 -4.537
89 HG3 ARG 9 HG2 ARG 9 -4.214 3.741 -3.199
90 HD2 ARG 9 HD1 ARG 9 -3.237 4.293 -5.428
91 HD3 ARG 9 HD2 ARG 9 -2.316 3.140 -4.478
92 HE ARG 9 HE ARG 9 -2.741 1.444 -6.003
93 HH11 ARG 9 HH11 ARG 9 -4.434 4.300 -7.147
94 HH12 ARG 9 HH12 ARG 9 -4.703 3.601 -8.714
95 HH21 ARG 9 HH21 ARG 9 -3.239 0.583 -7.978
96 HH22 ARG 9 HH22 ARG 9 -4.049 1.560 -9.156
97 H ILE 10 H ILE 10 -4.664 -0.632 -0.755
98 HA ILE 10 HA ILE 10 -7.405 -1.683 -1.209
99 HB ILE 10 HB ILE 10 -4.813 -2.967 -0.301
100 HG12 ILE 10 HG12 ILE 10 -6.691 -3.130 -2.710
101 HG13 ILE 10 HG13 ILE 10 -4.996 -2.643 -2.680
102 HG21 ILE 10 HG21 ILE 10 -6.028 -5.088 -0.086
103 HG22 ILE 10 HG22 ILE 10 -6.557 -3.919 1.113
104 HG23 ILE 10 HG23 ILE 10 -7.574 -4.253 -0.317
105 HD11 ILE 10 HD11 ILE 10 -6.208 -5.394 -2.737
106 HD12 ILE 10 HD12 ILE 10 -4.974 -4.652 -3.766
107 HD13 ILE 10 HD13 ILE 10 -4.556 -5.169 -2.106
108 H LEU 11 H LEU 11 -5.222 -0.657 1.464
109 HA LEU 11 HA LEU 11 -7.586 0.542 2.740
110 HB2 LEU 11 HB1 LEU 11 -5.865 0.121 4.207
111 HB3 LEU 11 HB2 LEU 11 -4.658 1.007 3.296
112 HG LEU 11 HG LEU 11 -6.905 2.771 4.105
113 HD11 LEU 11 HD21 LEU 11 -7.162 1.299 6.027
114 HD12 LEU 11 HD22 LEU 11 -5.401 1.380 6.343
115 HD13 LEU 11 HD23 LEU 11 -6.403 2.829 6.495
116 HD21 LEU 11 HD11 LEU 11 -3.998 2.860 5.080
117 HD22 LEU 11 HD12 LEU 11 -4.478 3.432 3.457
118 HD23 LEU 11 HD13 LEU 11 -5.164 4.186 4.891
119 H LYS 12 H LYS 12 -8.220 1.012 0.309
120 HA LYS 12 HA LYS 12 -9.363 2.751 -0.724
121 HB2 LYS 12 HB1 LYS 12 -9.111 4.117 1.991
122 HB3 LYS 12 HB2 LYS 12 -10.284 4.462 0.736
123 HG2 LYS 12 HG1 LYS 12 -11.631 3.226 2.076
124 HG3 LYS 12 HG2 LYS 12 -10.979 1.897 1.107
125 HD2 LYS 12 HD1 LYS 12 -9.142 1.777 2.977
126 HD3 LYS 12 HD2 LYS 12 -10.144 2.877 3.876
127 HE2 LYS 12 HE1 LYS 12 -10.455 0.625 4.668
128 HE3 LYS 12 HE2 LYS 12 -11.956 1.241 3.971
129 HZ1 LYS 12 HZ1 LYS 12 -11.574 -1.022 3.266
130 HZ2 LYS 12 HZ2 LYS 12 -11.440 -0.059 1.950
131 HZ3 LYS 12 HZ3 LYS 12 -10.086 -0.662 2.638
Start of MODEL 7
1 H1 VAL 1 H VAL 1 10.342 -3.318 -2.345
2 HA VAL 1 HA VAL 1 11.553 -1.476 -4.276
3 HB VAL 1 HB VAL 1 12.321 -3.817 -4.204
4 HG11 VAL 1 HG21 VAL 1 11.216 -5.591 -5.273
5 HG12 VAL 1 HG22 VAL 1 9.937 -4.557 -5.931
6 HG13 VAL 1 HG23 VAL 1 9.994 -4.905 -4.182
7 HG21 VAL 1 HG11 VAL 1 12.860 -2.308 -6.033
8 HG22 VAL 1 HG12 VAL 1 12.587 -3.942 -6.655
9 HG23 VAL 1 HG13 VAL 1 11.329 -2.704 -6.861
10 H ARG 2 H ARG 2 9.984 0.021 -3.964
11 HA ARG 2 HA ARG 2 7.995 1.131 -4.141
12 HB2 ARG 2 HB1 ARG 2 8.794 0.642 -6.621
13 HB3 ARG 2 HB2 ARG 2 7.373 -0.395 -6.684
14 HG2 ARG 2 HG1 ARG 2 6.897 1.802 -7.584
15 HG3 ARG 2 HG2 ARG 2 5.942 1.552 -6.123
16 HD2 ARG 2 HD1 ARG 2 8.604 2.854 -5.681
17 HD3 ARG 2 HD2 ARG 2 7.549 3.778 -6.733
18 HE ARG 2 HE ARG 2 7.366 3.598 -3.887
19 HH11 ARG 2 HH12 ARG 2 5.238 3.756 -6.614
20 HH12 ARG 2 HH11 ARG 2 3.907 4.383 -5.665
21 HH21 ARG 2 HH22 ARG 2 5.574 4.277 -2.661
22 HH22 ARG 2 HH21 ARG 2 4.106 4.612 -3.459
23 H ARG 3 H ARG 3 8.081 -1.122 -2.599
24 HA ARG 3 HA ARG 3 5.222 -1.909 -2.660
25 HB2 ARG 3 HB1 ARG 3 7.110 -3.669 -2.882
26 HB3 ARG 3 HB2 ARG 3 7.278 -3.538 -1.139
27 HG2 ARG 3 HG1 ARG 3 5.523 -4.973 -0.862
28 HG3 ARG 3 HG2 ARG 3 4.452 -3.951 -1.830
29 HD2 ARG 3 HD1 ARG 3 5.490 -4.960 -3.895
30 HD3 ARG 3 HD2 ARG 3 6.105 -6.244 -2.805
31 HE ARG 3 HE ARG 3 3.422 -6.096 -2.169
32 HH11 ARG 3 HH12 ARG 3 5.127 -6.700 -5.147
33 HH12 ARG 3 HH11 ARG 3 3.822 -7.612 -5.845
34 HH21 ARG 3 HH22 ARG 3 1.706 -7.261 -3.174
35 HH22 ARG 3 HH21 ARG 3 1.968 -7.893 -4.764
36 H PHE 4 H PHE 4 6.133 -2.569 0.473
37 HA PHE 4 HA PHE 4 3.761 -1.453 0.892
38 HB2 PHE 4 HB1 PHE 4 5.657 -2.726 2.796
39 HB3 PHE 4 HB2 PHE 4 4.052 -2.253 3.284
40 HD1 PHE 4 HD2 PHE 4 3.450 -3.119 -0.089
41 HD2 PHE 4 HD1 PHE 4 4.402 -4.863 3.749
42 HE1 PHE 4 HE2 PHE 4 2.295 -5.167 -0.739
43 HE2 PHE 4 HE1 PHE 4 3.300 -6.966 3.026
44 HZ PHE 4 HZ PHE 4 2.249 -7.124 0.787
45 H ASP 5 H ASP 5 4.518 1.093 0.281
46 HA ASP 5 HA ASP 5 2.054 1.268 1.958
47 HB2 ASP 5 HB1 ASP 5 1.862 3.672 1.628
48 HB3 ASP 5 HB2 ASP 5 3.113 3.093 2.705
49 H LEU 6 H LEU 6 2.402 -0.276 -0.407
50 HA LEU 6 HA LEU 6 -0.003 0.862 -1.803
51 HB2 LEU 6 HB1 LEU 6 0.680 0.453 -3.831
52 HB3 LEU 6 HB2 LEU 6 2.209 0.839 -3.054
53 HG LEU 6 HG LEU 6 2.862 -0.860 -4.325
54 HD11 LEU 6 HD21 LEU 6 3.188 -2.877 -3.186
55 HD12 LEU 6 HD22 LEU 6 3.173 -1.599 -1.941
56 HD13 LEU 6 HD23 LEU 6 1.766 -2.704 -2.120
57 HD21 LEU 6 HD11 LEU 6 1.653 -2.736 -5.165
58 HD22 LEU 6 HD12 LEU 6 0.641 -1.290 -5.379
59 HD23 LEU 6 HD13 LEU 6 0.293 -2.434 -4.038
60 H LEU 7 H LEU 7 0.682 -1.740 0.188
61 HA LEU 7 HA LEU 7 -1.989 -2.841 -0.623
62 HB2 LEU 7 HB1 LEU 7 -1.695 -4.699 0.523
63 HB3 LEU 7 HB2 LEU 7 -0.030 -4.396 0.062
64 HG LEU 7 HG LEU 7 -1.300 -3.802 2.794
65 HD11 LEU 7 HD21 LEU 7 -1.118 -6.004 3.010
66 HD12 LEU 7 HD22 LEU 7 0.008 -6.196 1.661
67 HD13 LEU 7 HD23 LEU 7 0.607 -5.702 3.254
68 HD21 LEU 7 HD11 LEU 7 1.416 -3.286 1.650
69 HD22 LEU 7 HD12 LEU 7 0.486 -2.231 2.640
70 HD23 LEU 7 HD13 LEU 7 1.272 -3.618 3.381
71 H LYS 8 H LYS 8 -0.386 -0.762 1.651
72 HA LYS 8 HA LYS 8 -2.945 -0.046 2.896
73 HB2 LYS 8 HB1 LYS 8 -0.104 0.825 3.422
74 HB3 LYS 8 HB2 LYS 8 -1.468 1.785 3.980
75 HG2 LYS 8 HG1 LYS 8 -0.587 0.397 5.750
76 HG3 LYS 8 HG2 LYS 8 -2.277 0.059 5.419
77 HD2 LYS 8 HD1 LYS 8 -1.561 -1.970 4.127
78 HD3 LYS 8 HD2 LYS 8 0.106 -1.669 4.685
79 HE2 LYS 8 HE1 LYS 8 -2.227 -2.089 6.590
80 HE3 LYS 8 HE2 LYS 8 -1.408 -3.447 5.816
81 HZ1 LYS 8 HZ1 LYS 8 -0.455 -2.976 7.982
82 HZ2 LYS 8 HZ2 LYS 8 -0.043 -1.451 7.533
83 HZ3 LYS 8 HZ3 LYS 8 0.672 -2.746 6.815
84 H ARG 9 H ARG 9 -2.142 0.086 0.017
85 HA ARG 9 HA ARG 9 -3.991 2.395 -0.447
86 HB2 ARG 9 HB1 ARG 9 -2.223 0.962 -2.463
87 HB3 ARG 9 HB2 ARG 9 -3.704 1.789 -2.884
88 HG2 ARG 9 HG1 ARG 9 -2.430 3.759 -1.440
89 HG3 ARG 9 HG2 ARG 9 -1.061 2.968 -2.229
90 HD2 ARG 9 HD1 ARG 9 -3.580 3.806 -3.754
91 HD3 ARG 9 HD2 ARG 9 -2.237 4.896 -3.438
92 HE ARG 9 HE ARG 9 -0.969 3.923 -5.033
93 HH11 ARG 9 HH11 ARG 9 -3.663 1.705 -4.636
94 HH12 ARG 9 HH12 ARG 9 -3.266 0.833 -6.090
95 HH21 ARG 9 HH21 ARG 9 -0.649 2.863 -6.947
96 HH22 ARG 9 HH22 ARG 9 -1.633 1.497 -7.362
97 H ILE 10 H ILE 10 -3.510 -1.140 -0.916
98 HA ILE 10 HA ILE 10 -6.044 -1.440 -2.291
99 HB ILE 10 HB ILE 10 -4.266 -3.587 -1.101
100 HG12 ILE 10 HG13 ILE 10 -4.592 -2.843 -4.052
101 HG13 ILE 10 HG12 ILE 10 -3.364 -2.099 -3.054
102 HG21 ILE 10 HG21 ILE 10 -5.542 -5.090 -2.702
103 HG22 ILE 10 HG22 ILE 10 -6.650 -3.743 -3.021
104 HG23 ILE 10 HG23 ILE 10 -6.551 -4.462 -1.403
105 HD11 ILE 10 HD11 ILE 10 -2.293 -3.871 -4.199
106 HD12 ILE 10 HD12 ILE 10 -3.552 -5.036 -3.770
107 HD13 ILE 10 HD13 ILE 10 -2.459 -4.405 -2.515
108 H LEU 11 H LEU 11 -5.168 -1.520 1.137
109 HA LEU 11 HA LEU 11 -7.721 -2.320 2.121
110 HB2 LEU 11 HB1 LEU 11 -6.753 -2.025 4.058
111 HB3 LEU 11 HB2 LEU 11 -5.291 -1.530 3.235
112 HG LEU 11 HG LEU 11 -6.895 0.875 3.600
113 HD11 LEU 11 HD21 LEU 11 -8.173 -0.373 5.267
114 HD12 LEU 11 HD22 LEU 11 -7.252 0.973 5.930
115 HD13 LEU 11 HD23 LEU 11 -6.662 -0.693 6.180
116 HD21 LEU 11 HD11 LEU 11 -5.083 1.461 5.222
117 HD22 LEU 11 HD12 LEU 11 -4.399 -0.161 4.964
118 HD23 LEU 11 HD13 LEU 11 -4.562 1.015 3.618
119 H LYS 12 H LYS 12 -7.235 0.153 0.074
120 HA LYS 12 HA LYS 12 -7.746 2.343 -0.260
121 HB2 LYS 12 HB1 LYS 12 -9.466 2.508 2.275
122 HB3 LYS 12 HB2 LYS 12 -9.293 3.643 0.992
123 HG2 LYS 12 HG1 LYS 12 -10.629 0.907 0.861
124 HG3 LYS 12 HG2 LYS 12 -11.383 2.499 0.665
125 HD2 LYS 12 HD1 LYS 12 -9.956 2.748 -1.487
126 HD3 LYS 12 HD2 LYS 12 -9.508 1.048 -1.284
127 HE2 LYS 12 HE1 LYS 12 -11.301 1.249 -2.888
128 HE3 LYS 12 HE2 LYS 12 -11.820 0.324 -1.480
129 HZ1 LYS 12 HZ1 LYS 12 -13.455 2.021 -2.253
130 HZ2 LYS 12 HZ2 LYS 12 -13.023 2.220 -0.682
131 HZ3 LYS 12 HZ3 LYS 12 -12.404 3.216 -1.836
Start of MODEL 8
1 H1 VAL 1 H VAL 1 13.278 0.614 -2.494
2 HA VAL 1 HA VAL 1 10.993 -0.335 -0.898
3 HB VAL 1 HB VAL 1 10.602 1.646 0.137
4 HG11 VAL 1 HG21 VAL 1 12.655 2.282 1.268
5 HG12 VAL 1 HG22 VAL 1 13.645 1.586 -0.020
6 HG13 VAL 1 HG23 VAL 1 12.655 0.533 1.014
7 HG21 VAL 1 HG11 VAL 1 10.706 3.293 -1.622
8 HG22 VAL 1 HG12 VAL 1 12.457 3.045 -1.815
9 HG23 VAL 1 HG13 VAL 1 11.809 3.792 -0.340
10 H ARG 2 H ARG 2 9.301 -0.825 -1.908
11 HA ARG 2 HA ARG 2 7.771 1.072 -3.419
12 HB2 ARG 2 HB1 ARG 2 9.127 0.478 -5.312
13 HB3 ARG 2 HB2 ARG 2 8.901 -1.243 -5.072
14 HG2 ARG 2 HG1 ARG 2 7.620 -0.375 -6.989
15 HG3 ARG 2 HG2 ARG 2 6.508 -1.032 -5.778
16 HD2 ARG 2 HD1 ARG 2 5.732 1.131 -5.175
17 HD3 ARG 2 HD2 ARG 2 7.236 1.929 -5.663
18 HE ARG 2 HE ARG 2 6.317 0.932 -8.024
19 HH11 ARG 2 HH12 ARG 2 4.880 3.132 -5.715
20 HH12 ARG 2 HH11 ARG 2 4.089 4.053 -6.965
21 HH21 ARG 2 HH22 ARG 2 5.273 2.087 -9.532
22 HH22 ARG 2 HH21 ARG 2 4.307 3.465 -9.101
23 H ARG 3 H ARG 3 7.811 -1.767 -1.476
24 HA ARG 3 HA ARG 3 4.898 -2.014 -1.705
25 HB2 ARG 3 HB1 ARG 3 4.907 -3.659 -3.226
26 HB3 ARG 3 HB2 ARG 3 6.639 -3.784 -3.243
27 HG2 ARG 3 HG1 ARG 3 5.896 -5.184 -0.865
28 HG3 ARG 3 HG2 ARG 3 4.597 -5.490 -1.991
29 HD2 ARG 3 HD1 ARG 3 7.555 -6.108 -2.308
30 HD3 ARG 3 HD2 ARG 3 6.236 -7.244 -2.037
31 HE ARG 3 HE ARG 3 7.073 -6.179 -4.587
32 HH11 ARG 3 HH12 ARG 3 4.371 -7.472 -2.871
33 HH12 ARG 3 HH11 ARG 3 3.424 -7.809 -4.291
34 HH21 ARG 3 HH22 ARG 3 5.820 -6.585 -6.455
35 HH22 ARG 3 HH21 ARG 3 4.256 -7.315 -6.288
36 H PHE 4 H PHE 4 5.449 -0.981 0.150
37 HA PHE 4 HA PHE 4 3.427 -1.977 0.728
38 HB2 PHE 4 HB1 PHE 4 4.823 -3.643 2.793
39 HB3 PHE 4 HB2 PHE 4 3.133 -3.226 2.817
40 HD1 PHE 4 HD2 PHE 4 2.951 -3.362 -0.505
41 HD2 PHE 4 HD1 PHE 4 3.961 -5.998 2.782
42 HE1 PHE 4 HE2 PHE 4 1.898 -5.186 -1.679
43 HE2 PHE 4 HE1 PHE 4 2.927 -7.875 1.536
44 HZ PHE 4 HZ PHE 4 1.840 -7.465 -0.663
45 H ASP 5 H ASP 5 4.282 0.545 0.803
46 HA ASP 5 HA ASP 5 1.719 0.851 2.253
47 HB2 ASP 5 HB1 ASP 5 2.258 3.244 2.328
48 HB3 ASP 5 HB2 ASP 5 3.481 2.331 3.162
49 H LEU 6 H LEU 6 2.368 -0.085 -0.675
50 HA LEU 6 HA LEU 6 0.206 1.731 -1.675
51 HB2 LEU 6 HB1 LEU 6 0.508 0.755 -3.875
52 HB3 LEU 6 HB2 LEU 6 1.773 1.802 -3.236
53 HG LEU 6 HG LEU 6 3.349 0.152 -3.040
54 HD11 LEU 6 HD21 LEU 6 3.007 -2.266 -3.279
55 HD12 LEU 6 HD22 LEU 6 1.996 -1.711 -1.963
56 HD13 LEU 6 HD23 LEU 6 1.267 -2.030 -3.558
57 HD21 LEU 6 HD11 LEU 6 2.711 0.795 -5.379
58 HD22 LEU 6 HD12 LEU 6 3.368 -0.853 -5.316
59 HD23 LEU 6 HD13 LEU 6 1.611 -0.598 -5.442
60 H LEU 7 H LEU 7 0.542 -1.702 -0.690
61 HA LEU 7 HA LEU 7 -2.162 -2.117 -1.539
62 HB2 LEU 7 HB1 LEU 7 -1.998 -4.174 -1.073
63 HB3 LEU 7 HB2 LEU 7 -0.278 -3.879 -1.006
64 HG LEU 7 HG LEU 7 -2.135 -3.994 1.424
65 HD11 LEU 7 HD21 LEU 7 -2.098 -6.075 0.138
66 HD12 LEU 7 HD22 LEU 7 -0.322 -6.095 0.189
67 HD13 LEU 7 HD23 LEU 7 -1.268 -6.277 1.691
68 HD21 LEU 7 HD11 LEU 7 -0.362 -3.332 2.646
69 HD22 LEU 7 HD12 LEU 7 0.601 -3.101 1.169
70 HD23 LEU 7 HD13 LEU 7 0.604 -4.660 1.997
71 H LYS 8 H LYS 8 -0.977 -0.907 1.639
72 HA LYS 8 HA LYS 8 -3.807 -0.561 2.416
73 HB2 LYS 8 HB1 LYS 8 -3.205 0.344 4.486
74 HB3 LYS 8 HB2 LYS 8 -2.399 -1.172 4.231
75 HG2 LYS 8 HG1 LYS 8 -0.944 1.457 3.664
76 HG3 LYS 8 HG2 LYS 8 -1.164 0.906 5.319
77 HD2 LYS 8 HD1 LYS 8 0.154 -0.796 3.162
78 HD3 LYS 8 HD2 LYS 8 1.033 0.216 4.308
79 HE2 LYS 8 HE1 LYS 8 -0.856 -2.057 5.076
80 HE3 LYS 8 HE2 LYS 8 0.914 -2.171 5.035
81 HZ1 LYS 8 HZ1 LYS 8 0.177 -1.654 7.274
82 HZ2 LYS 8 HZ2 LYS 8 0.956 -0.339 6.675
83 HZ3 LYS 8 HZ3 LYS 8 -0.674 -0.351 6.765
84 H ARG 9 H ARG 9 -2.675 0.777 0.024
85 HA ARG 9 HA ARG 9 -4.310 3.232 0.610
86 HB2 ARG 9 HB1 ARG 9 -2.560 2.777 -1.832
87 HB3 ARG 9 HB2 ARG 9 -3.524 4.206 -1.446
88 HG2 ARG 9 HG1 ARG 9 -1.797 3.741 0.827
89 HG3 ARG 9 HG2 ARG 9 -0.866 3.491 -0.646
90 HD2 ARG 9 HD1 ARG 9 -2.490 5.958 0.001
91 HD3 ARG 9 HD2 ARG 9 -0.743 5.815 0.228
92 HE ARG 9 HE ARG 9 -2.151 6.343 -2.238
93 HH11 ARG 9 HH12 ARG 9 0.777 4.687 -1.129
94 HH12 ARG 9 HH11 ARG 9 1.577 4.921 -2.635
95 HH21 ARG 9 HH22 ARG 9 -1.080 6.553 -4.140
96 HH22 ARG 9 HH21 ARG 9 0.499 5.872 -4.348
97 H ILE 10 H ILE 10 -3.917 0.361 -1.442
98 HA ILE 10 HA ILE 10 -6.378 0.665 -2.921
99 HB ILE 10 HB ILE 10 -4.834 -1.814 -2.074
100 HG12 ILE 10 HG13 ILE 10 -4.885 -0.475 -4.811
101 HG13 ILE 10 HG12 ILE 10 -3.651 -0.131 -3.602
102 HG21 ILE 10 HG21 ILE 10 -6.092 -3.066 -3.773
103 HG22 ILE 10 HG22 ILE 10 -7.049 -1.619 -4.160
104 HG23 ILE 10 HG23 ILE 10 -7.190 -2.419 -2.584
105 HD11 ILE 10 HD11 ILE 10 -2.762 -1.778 -5.099
106 HD12 ILE 10 HD12 ILE 10 -3.042 -2.547 -3.525
107 HD13 ILE 10 HD13 ILE 10 -4.164 -2.836 -4.873
108 H LEU 11 H LEU 11 -5.579 -0.955 0.176
109 HA LEU 11 HA LEU 11 -8.319 -1.676 0.660
110 HB2 LEU 11 HB1 LEU 11 -7.441 -3.071 2.109
111 HB3 LEU 11 HB2 LEU 11 -5.869 -2.508 1.626
112 HG LEU 11 HG LEU 11 -6.366 -0.676 3.567
113 HD11 LEU 11 HD21 LEU 11 -8.598 -1.749 4.238
114 HD12 LEU 11 HD22 LEU 11 -7.404 -1.762 5.521
115 HD13 LEU 11 HD23 LEU 11 -7.734 -3.233 4.574
116 HD21 LEU 11 HD11 LEU 11 -5.423 -3.455 4.293
117 HD22 LEU 11 HD12 LEU 11 -4.439 -2.285 3.398
118 HD23 LEU 11 HD13 LEU 11 -5.001 -1.891 5.043
119 H LYS 12 H LYS 12 -7.099 1.449 0.830
120 HA LYS 12 HA LYS 12 -7.768 3.372 1.914
121 HB2 LYS 12 HB1 LYS 12 -10.337 1.839 2.617
122 HB3 LYS 12 HB2 LYS 12 -10.052 3.542 2.877
123 HG2 LYS 12 HG1 LYS 12 -11.284 3.488 0.934
124 HG3 LYS 12 HG2 LYS 12 -9.617 3.749 0.336
125 HD2 LYS 12 HD1 LYS 12 -9.506 1.645 -0.608
126 HD3 LYS 12 HD2 LYS 12 -10.562 0.881 0.579
127 HE2 LYS 12 HE1 LYS 12 -11.606 0.834 -1.572
128 HE3 LYS 12 HE2 LYS 12 -12.533 1.842 -0.440
129 HZ1 LYS 12 HZ1 LYS 12 -12.246 2.867 -2.658
130 HZ2 LYS 12 HZ2 LYS 12 -10.620 2.918 -2.438
131 HZ3 LYS 12 HZ3 LYS 12 -11.608 3.796 -1.466
Start of MODEL 9
1 H1 VAL 1 H VAL 1 12.284 -1.455 -1.617
2 HA VAL 1 HA VAL 1 10.919 0.737 -0.554
3 HB VAL 1 HB VAL 1 11.942 1.989 -2.594
4 HG11 VAL 1 HG21 VAL 1 12.997 1.915 -0.404
5 HG12 VAL 1 HG22 VAL 1 13.728 0.341 -0.772
6 HG13 VAL 1 HG23 VAL 1 14.214 1.789 -1.682
7 HG21 VAL 1 HG11 VAL 1 12.043 -0.028 -4.109
8 HG22 VAL 1 HG12 VAL 1 13.328 -0.681 -3.072
9 HG23 VAL 1 HG13 VAL 1 13.590 0.832 -3.940
10 H ARG 2 H ARG 2 9.470 -1.501 -2.234
11 HA ARG 2 HA ARG 2 7.307 0.336 -3.042
12 HB2 ARG 2 HB1 ARG 2 8.927 -0.090 -5.023
13 HB3 ARG 2 HB2 ARG 2 8.258 -1.714 -5.070
14 HG2 ARG 2 HG1 ARG 2 7.222 -0.296 -6.745
15 HG3 ARG 2 HG2 ARG 2 6.022 -0.774 -5.570
16 HD2 ARG 2 HD1 ARG 2 5.552 1.458 -6.018
17 HD3 ARG 2 HD2 ARG 2 6.366 1.537 -4.455
18 HE ARG 2 HE ARG 2 8.470 1.973 -6.028
19 HH11 ARG 2 HH12 ARG 2 5.366 3.558 -6.069
20 HH12 ARG 2 HH11 ARG 2 5.929 4.868 -7.065
21 HH21 ARG 2 HH22 ARG 2 9.117 3.660 -7.385
22 HH22 ARG 2 HH21 ARG 2 7.989 4.912 -7.789
23 H ARG 3 H ARG 3 7.857 -2.022 -1.107
24 HA ARG 3 HA ARG 3 5.060 -2.036 -0.837
25 HB2 ARG 3 HB1 ARG 3 4.726 -4.501 -0.416
26 HB3 ARG 3 HB2 ARG 3 4.570 -3.845 -2.030
27 HG2 ARG 3 HG1 ARG 3 6.773 -5.633 -0.917
28 HG3 ARG 3 HG2 ARG 3 5.322 -6.107 -1.826
29 HD2 ARG 3 HD1 ARG 3 6.455 -4.323 -3.567
30 HD3 ARG 3 HD2 ARG 3 7.890 -5.081 -2.824
31 HE ARG 3 HE ARG 3 6.233 -6.153 -4.848
32 HH11 ARG 3 HH11 ARG 3 7.568 -7.516 -1.909
33 HH12 ARG 3 HH12 ARG 3 7.250 -9.148 -2.430
34 HH21 ARG 3 HH21 ARG 3 5.963 -8.249 -5.482
35 HH22 ARG 3 HH22 ARG 3 6.361 -9.537 -4.389
36 H PHE 4 H PHE 4 6.064 -0.766 1.319
37 HA PHE 4 HA PHE 4 3.669 -1.421 0.956
38 HB2 PHE 4 HB1 PHE 4 4.482 -3.277 3.128
39 HB3 PHE 4 HB2 PHE 4 2.837 -2.675 3.156
40 HD1 PHE 4 HD1 PHE 4 2.479 -2.590 0.009
41 HD2 PHE 4 HD2 PHE 4 3.643 -5.528 2.925
42 HE1 PHE 4 HE1 PHE 4 1.564 -4.341 -1.438
43 HE2 PHE 4 HE2 PHE 4 2.645 -7.294 1.496
44 HZ PHE 4 HZ PHE 4 1.666 -6.716 -0.717
45 H ASP 5 H ASP 5 4.312 1.386 1.700
46 HA ASP 5 HA ASP 5 1.506 1.168 2.412
47 HB2 ASP 5 HB1 ASP 5 1.538 3.619 2.517
48 HB3 ASP 5 HB2 ASP 5 2.584 2.790 3.644
49 H LEU 6 H LEU 6 2.345 0.159 -0.157
50 HA LEU 6 HA LEU 6 0.171 1.643 -1.662
51 HB2 LEU 6 HB1 LEU 6 1.004 1.057 -3.713
52 HB3 LEU 6 HB2 LEU 6 2.189 1.964 -2.802
53 HG LEU 6 HG LEU 6 3.742 0.287 -2.800
54 HD11 LEU 6 HD21 LEU 6 3.288 -2.116 -3.185
55 HD12 LEU 6 HD22 LEU 6 2.536 -1.488 -1.717
56 HD13 LEU 6 HD23 LEU 6 1.546 -1.800 -3.168
57 HD21 LEU 6 HD11 LEU 6 3.191 0.961 -5.119
58 HD22 LEU 6 HD12 LEU 6 2.043 -0.398 -5.231
59 HD23 LEU 6 HD13 LEU 6 3.780 -0.711 -5.039
60 H LEU 7 H LEU 7 0.055 -0.772 0.304
61 HA LEU 7 HA LEU 7 -2.277 -1.721 -1.302
62 HB2 LEU 7 HB1 LEU 7 -2.236 -3.866 -0.732
63 HB3 LEU 7 HB2 LEU 7 -0.515 -3.566 -0.871
64 HG LEU 7 HG LEU 7 -2.172 -3.753 1.717
65 HD11 LEU 7 HD21 LEU 7 -1.989 -5.918 1.195
66 HD12 LEU 7 HD22 LEU 7 -0.579 -5.707 0.160
67 HD13 LEU 7 HD23 LEU 7 -0.379 -5.762 1.918
68 HD21 LEU 7 HD11 LEU 7 -0.524 -2.363 2.502
69 HD22 LEU 7 HD12 LEU 7 0.543 -2.700 1.219
70 HD23 LEU 7 HD13 LEU 7 0.418 -3.852 2.564
71 H LYS 8 H LYS 8 -1.248 -0.391 1.790
72 HA LYS 8 HA LYS 8 -3.951 -0.701 2.920
73 HB2 LYS 8 HB1 LYS 8 -1.890 1.340 3.740
74 HB3 LYS 8 HB2 LYS 8 -3.308 0.818 4.622
75 HG2 LYS 8 HG1 LYS 8 -0.614 -0.382 4.398
76 HG3 LYS 8 HG2 LYS 8 -1.635 -0.261 5.806
77 HD2 LYS 8 HD1 LYS 8 -2.378 -2.309 3.725
78 HD3 LYS 8 HD2 LYS 8 -0.871 -2.526 4.617
79 HE2 LYS 8 HE1 LYS 8 -1.987 -2.731 6.702
80 HE3 LYS 8 HE2 LYS 8 -3.557 -2.363 5.968
81 HZ1 LYS 8 HZ1 LYS 8 -3.203 -4.770 6.173
82 HZ2 LYS 8 HZ2 LYS 8 -1.844 -4.693 5.260
83 HZ3 LYS 8 HZ3 LYS 8 -3.305 -4.356 4.591
84 H ARG 9 H ARG 9 -2.255 1.835 1.108
85 HA ARG 9 HA ARG 9 -4.322 3.336 0.096
86 HB2 ARG 9 HB1 ARG 9 -1.623 2.784 -0.522
87 HB3 ARG 9 HB2 ARG 9 -2.439 2.410 -2.013
88 HG2 ARG 9 HG1 ARG 9 -3.346 5.000 -0.866
89 HG3 ARG 9 HG2 ARG 9 -1.600 4.914 -1.042
90 HD2 ARG 9 HD1 ARG 9 -2.399 5.866 -3.042
91 HD3 ARG 9 HD2 ARG 9 -1.899 4.214 -3.439
92 HE ARG 9 HE ARG 9 -4.759 4.699 -2.780
93 HH11 ARG 9 HH11 ARG 9 -2.486 3.946 -5.332
94 HH12 ARG 9 HH12 ARG 9 -3.749 3.609 -6.483
95 HH21 ARG 9 HH21 ARG 9 -6.296 4.336 -4.297
96 HH22 ARG 9 HH22 ARG 9 -5.860 3.885 -5.922
97 H ILE 10 H ILE 10 -4.006 -0.093 -0.738
98 HA ILE 10 HA ILE 10 -6.007 0.213 -2.943
99 HB ILE 10 HB ILE 10 -4.356 -2.205 -2.143
100 HG12 ILE 10 HG13 ILE 10 -4.290 -0.613 -4.754
101 HG13 ILE 10 HG12 ILE 10 -3.199 -0.286 -3.418
102 HG21 ILE 10 HG21 ILE 10 -5.298 -3.295 -4.159
103 HG22 ILE 10 HG22 ILE 10 -6.572 -2.932 -3.006
104 HG23 ILE 10 HG23 ILE 10 -6.360 -1.903 -4.438
105 HD11 ILE 10 HD11 ILE 10 -3.304 -2.824 -5.096
106 HD12 ILE 10 HD12 ILE 10 -2.391 -2.701 -3.574
107 HD13 ILE 10 HD13 ILE 10 -1.995 -1.650 -4.945
108 H LEU 11 H LEU 11 -5.606 -1.230 0.300
109 HA LEU 11 HA LEU 11 -8.248 -2.438 0.244
110 HB2 LEU 11 HB1 LEU 11 -7.477 -3.768 1.807
111 HB3 LEU 11 HB2 LEU 11 -5.918 -3.107 1.437
112 HG LEU 11 HG LEU 11 -6.823 -1.355 3.446
113 HD11 LEU 11 HD21 LEU 11 -8.777 -2.913 3.898
114 HD12 LEU 11 HD22 LEU 11 -7.638 -4.223 4.200
115 HD13 LEU 11 HD23 LEU 11 -7.664 -2.791 5.262
116 HD21 LEU 11 HD11 LEU 11 -5.393 -3.889 4.213
117 HD22 LEU 11 HD12 LEU 11 -4.592 -2.692 3.170
118 HD23 LEU 11 HD13 LEU 11 -5.204 -2.204 4.774
119 H LYS 12 H LYS 12 -7.583 0.693 0.574
120 HA LYS 12 HA LYS 12 -8.640 2.540 1.431
121 HB2 LYS 12 HB1 LYS 12 -10.860 1.047 2.759
122 HB3 LYS 12 HB2 LYS 12 -10.887 2.621 2.017
123 HG2 LYS 12 HG1 LYS 12 -10.965 -0.043 0.501
124 HG3 LYS 12 HG2 LYS 12 -12.350 0.899 1.028
125 HD2 LYS 12 HD1 LYS 12 -11.279 2.817 -0.464
126 HD3 LYS 12 HD2 LYS 12 -10.455 1.429 -1.244
127 HE2 LYS 12 HE1 LYS 12 -12.739 0.304 -1.431
128 HE3 LYS 12 HE2 LYS 12 -13.468 1.772 -0.778
129 HZ1 LYS 12 HZ1 LYS 12 -13.635 1.790 -3.147
130 HZ2 LYS 12 HZ2 LYS 12 -12.027 1.541 -3.356
131 HZ3 LYS 12 HZ3 LYS 12 -12.575 2.969 -2.730
Start of MODEL 10
1 H1 VAL 1 H VAL 1 10.663 -2.205 -7.613
2 HA VAL 1 HA VAL 1 11.308 -0.557 -5.270
3 HB VAL 1 HB VAL 1 9.872 1.338 -6.716
4 HG11 VAL 1 HG21 VAL 1 11.697 1.759 -5.169
5 HG12 VAL 1 HG22 VAL 1 11.946 2.622 -6.692
6 HG13 VAL 1 HG23 VAL 1 12.866 1.142 -6.361
7 HG21 VAL 1 HG11 VAL 1 11.077 1.839 -8.765
8 HG22 VAL 1 HG12 VAL 1 11.968 0.314 -8.657
9 HG23 VAL 1 HG13 VAL 1 10.204 0.307 -8.912
10 H ARG 2 H ARG 2 9.433 0.545 -4.439
11 HA ARG 2 HA ARG 2 7.288 0.822 -3.755
12 HB2 ARG 2 HB1 ARG 2 7.592 1.392 -6.434
13 HB3 ARG 2 HB2 ARG 2 6.209 0.341 -6.501
14 HG2 ARG 2 HG1 ARG 2 6.563 3.019 -5.140
15 HG3 ARG 2 HG2 ARG 2 5.414 2.587 -6.396
16 HD2 ARG 2 HD1 ARG 2 3.884 1.692 -4.915
17 HD3 ARG 2 HD2 ARG 2 5.083 1.247 -3.709
18 HE ARG 2 HE ARG 2 3.606 3.648 -3.694
19 HH11 ARG 2 HH12 ARG 2 6.933 2.879 -3.066
20 HH12 ARG 2 HH11 ARG 2 6.829 3.588 -1.477
21 HH21 ARG 2 HH22 ARG 2 3.711 4.687 -1.646
22 HH22 ARG 2 HH21 ARG 2 4.908 4.190 -0.615
23 H ARG 3 H ARG 3 7.900 -2.001 -3.268
24 HA ARG 3 HA ARG 3 5.034 -1.960 -2.466
25 HB2 ARG 3 HB1 ARG 3 4.404 -3.881 -3.143
26 HB3 ARG 3 HB2 ARG 3 5.764 -3.882 -4.183
27 HG2 ARG 3 HG1 ARG 3 6.034 -5.274 -1.501
28 HG3 ARG 3 HG2 ARG 3 5.025 -5.965 -2.743
29 HD2 ARG 3 HD1 ARG 3 7.857 -5.148 -3.401
30 HD3 ARG 3 HD2 ARG 3 7.522 -6.691 -2.620
31 HE ARG 3 HE ARG 3 6.995 -5.960 -5.400
32 HH11 ARG 3 HH12 ARG 3 6.261 -8.368 -2.957
33 HH12 ARG 3 HH11 ARG 3 5.574 -9.464 -4.119
34 HH21 ARG 3 HH22 ARG 3 6.069 -7.428 -6.824
35 HH22 ARG 3 HH21 ARG 3 5.448 -8.929 -6.224
36 H PHE 4 H PHE 4 5.800 -0.559 -0.720
37 HA PHE 4 HA PHE 4 3.863 -1.808 0.053
38 HB2 PHE 4 HB1 PHE 4 5.880 -3.198 1.651
39 HB3 PHE 4 HB2 PHE 4 4.442 -2.865 2.505
40 HD1 PHE 4 HD1 PHE 4 3.590 -3.440 -1.081
41 HD2 PHE 4 HD2 PHE 4 4.513 -5.298 2.704
42 HE1 PHE 4 HE1 PHE 4 2.447 -5.495 -1.810
43 HE2 PHE 4 HE2 PHE 4 3.282 -7.317 1.994
44 HZ PHE 4 HZ PHE 4 2.274 -7.440 -0.275
45 H ASP 5 H ASP 5 4.739 1.189 0.633
46 HA ASP 5 HA ASP 5 2.007 1.119 1.726
47 HB2 ASP 5 HB1 ASP 5 2.125 3.566 1.778
48 HB3 ASP 5 HB2 ASP 5 3.136 2.699 2.889
49 H LEU 6 H LEU 6 1.849 -0.223 -0.410
50 HA LEU 6 HA LEU 6 0.035 1.572 -1.908
51 HB2 LEU 6 HB1 LEU 6 0.510 0.823 -4.030
52 HB3 LEU 6 HB2 LEU 6 1.972 1.448 -3.302
53 HG LEU 6 HG LEU 6 3.104 -0.481 -3.494
54 HD11 LEU 6 HD21 LEU 6 2.148 -2.776 -3.731
55 HD12 LEU 6 HD22 LEU 6 0.573 -2.135 -3.289
56 HD13 LEU 6 HD23 LEU 6 1.949 -2.054 -2.132
57 HD21 LEU 6 HD11 LEU 6 2.283 0.219 -5.745
58 HD22 LEU 6 HD12 LEU 6 0.905 -0.893 -5.566
59 HD23 LEU 6 HD13 LEU 6 2.559 -1.520 -5.679
60 H LEU 7 H LEU 7 0.241 -1.175 -0.164
61 HA LEU 7 HA LEU 7 -2.555 -1.836 -0.955
62 HB2 LEU 7 HB1 LEU 7 -2.354 -3.996 0.021
63 HB3 LEU 7 HB2 LEU 7 -1.352 -3.756 -1.378
64 HG LEU 7 HG LEU 7 0.390 -4.581 -0.383
65 HD11 LEU 7 HD21 LEU 7 0.169 -2.906 2.151
66 HD12 LEU 7 HD22 LEU 7 1.094 -2.410 0.695
67 HD13 LEU 7 HD23 LEU 7 1.538 -3.847 1.574
68 HD21 LEU 7 HD11 LEU 7 -1.223 -4.820 2.183
69 HD22 LEU 7 HD12 LEU 7 -1.347 -5.931 0.804
70 HD23 LEU 7 HD13 LEU 7 0.173 -5.809 1.695
71 H LYS 8 H LYS 8 -0.428 -0.803 1.630
72 HA LYS 8 HA LYS 8 -2.613 0.002 3.333
73 HB2 LYS 8 HB1 LYS 8 0.073 1.343 2.940
74 HB3 LYS 8 HB2 LYS 8 -1.086 1.668 4.208
75 HG2 LYS 8 HG1 LYS 8 0.793 -0.649 3.899
76 HG3 LYS 8 HG2 LYS 8 0.430 0.330 5.310
77 HD2 LYS 8 HD1 LYS 8 -1.791 -0.922 5.513
78 HD3 LYS 8 HD2 LYS 8 -1.240 -1.940 4.176
79 HE2 LYS 8 HE1 LYS 8 -0.665 -3.260 5.948
80 HE3 LYS 8 HE2 LYS 8 0.857 -2.452 5.595
81 HZ1 LYS 8 HZ1 LYS 8 0.323 -2.512 7.981
82 HZ2 LYS 8 HZ2 LYS 8 -1.038 -1.639 7.741
83 HZ3 LYS 8 HZ3 LYS 8 0.436 -0.964 7.462
84 H ARG 9 H ARG 9 -2.039 0.754 0.103
85 HA ARG 9 HA ARG 9 -3.971 3.022 0.063
86 HB2 ARG 9 HB1 ARG 9 -1.935 3.308 -1.224
87 HB3 ARG 9 HB2 ARG 9 -2.197 1.799 -2.033
88 HG2 ARG 9 HG1 ARG 9 -3.269 2.625 -3.705
89 HG3 ARG 9 HG2 ARG 9 -4.426 3.510 -2.710
90 HD2 ARG 9 HD1 ARG 9 -3.076 5.441 -2.634
91 HD3 ARG 9 HD2 ARG 9 -1.599 4.571 -3.021
92 HE ARG 9 HE ARG 9 -3.697 5.468 -4.928
93 HH11 ARG 9 HH12 ARG 9 -0.454 4.259 -4.506
94 HH12 ARG 9 HH11 ARG 9 -0.070 4.425 -6.202
95 HH21 ARG 9 HH22 ARG 9 -3.153 5.559 -7.126
96 HH22 ARG 9 HH21 ARG 9 -1.554 5.122 -7.618
97 H ILE 10 H ILE 10 -3.958 -0.480 -0.994
98 HA ILE 10 HA ILE 10 -6.505 -0.100 -2.343
99 HB ILE 10 HB ILE 10 -6.660 -2.391 -2.760
100 HG12 ILE 10 HG13 ILE 10 -4.590 -2.876 -0.617
101 HG13 ILE 10 HG12 ILE 10 -6.207 -3.553 -0.790
102 HG21 ILE 10 HG21 ILE 10 -5.057 -1.020 -4.057
103 HG22 ILE 10 HG22 ILE 10 -3.727 -1.657 -3.062
104 HG23 ILE 10 HG23 ILE 10 -4.700 -2.738 -4.075
105 HD11 ILE 10 HD11 ILE 10 -4.630 -5.285 -1.311
106 HD12 ILE 10 HD12 ILE 10 -3.751 -4.254 -2.445
107 HD13 ILE 10 HD13 ILE 10 -5.396 -4.809 -2.836
108 H LEU 11 H LEU 11 -5.762 -0.868 1.049
109 HA LEU 11 HA LEU 11 -8.585 -1.317 1.621
110 HB2 LEU 11 HB1 LEU 11 -8.126 -1.487 3.756
111 HB3 LEU 11 HB2 LEU 11 -6.551 -1.908 3.140
112 HG LEU 11 HG LEU 11 -6.839 1.018 3.785
113 HD11 LEU 11 HD21 LEU 11 -8.338 0.080 5.511
114 HD12 LEU 11 HD22 LEU 11 -7.027 -0.998 6.045
115 HD13 LEU 11 HD23 LEU 11 -6.863 0.774 6.179
116 HD21 LEU 11 HD11 LEU 11 -4.910 -1.105 4.728
117 HD22 LEU 11 HD12 LEU 11 -4.742 -0.105 3.260
118 HD23 LEU 11 HD13 LEU 11 -4.733 0.666 4.861
119 H LYS 12 H LYS 12 -6.665 1.508 1.151
120 HA LYS 12 HA LYS 12 -6.944 3.716 1.064
121 HB2 LYS 12 HB1 LYS 12 -9.963 3.353 1.025
122 HB3 LYS 12 HB2 LYS 12 -9.087 4.859 0.956
123 HG2 LYS 12 HG1 LYS 12 -9.649 4.548 -1.216
124 HG3 LYS 12 HG2 LYS 12 -7.954 4.124 -1.149
125 HD2 LYS 12 HD1 LYS 12 -9.167 2.706 -2.662
126 HD3 LYS 12 HD2 LYS 12 -8.537 1.726 -1.355
127 HE2 LYS 12 HE1 LYS 12 -11.381 2.779 -1.246
128 HE3 LYS 12 HE2 LYS 12 -11.007 1.434 -2.321
129 HZ1 LYS 12 HZ1 LYS 12 -11.754 0.730 -0.081
130 HZ2 LYS 12 HZ2 LYS 12 -10.268 0.146 -0.458
131 HZ3 LYS 12 HZ3 LYS 12 -10.423 1.387 0.594
Start of MODEL 11
1 H1 VAL 1 H VAL 1 10.668 -2.910 -6.282
2 HA VAL 1 HA VAL 1 10.757 -3.630 -4.039
3 HB VAL 1 HB VAL 1 12.614 -1.246 -3.738
4 HG11 VAL 1 HG21 VAL 1 11.191 -0.844 -1.787
5 HG12 VAL 1 HG22 VAL 1 12.692 -1.597 -1.250
6 HG13 VAL 1 HG23 VAL 1 11.221 -2.576 -1.357
7 HG21 VAL 1 HG11 VAL 1 13.470 -3.571 -4.195
8 HG22 VAL 1 HG12 VAL 1 14.046 -2.918 -2.657
9 HG23 VAL 1 HG13 VAL 1 12.745 -4.113 -2.663
10 H ARG 2 H ARG 2 9.600 -0.882 -5.563
11 HA ARG 2 HA ARG 2 8.210 0.688 -3.843
12 HB2 ARG 2 HB1 ARG 2 7.885 -0.003 -6.746
13 HB3 ARG 2 HB2 ARG 2 6.552 0.865 -5.997
14 HG2 ARG 2 HG1 ARG 2 9.392 1.822 -5.590
15 HG3 ARG 2 HG2 ARG 2 8.469 2.279 -7.030
16 HD2 ARG 2 HD1 ARG 2 6.918 3.555 -5.844
17 HD3 ARG 2 HD2 ARG 2 7.064 2.585 -4.390
18 HE ARG 2 HE ARG 2 8.769 3.870 -3.593
19 HH11 ARG 2 HH12 ARG 2 8.117 5.004 -6.842
20 HH12 ARG 2 HH11 ARG 2 9.189 6.366 -6.672
21 HH21 ARG 2 HH22 ARG 2 10.134 5.584 -3.457
22 HH22 ARG 2 HH21 ARG 2 10.322 6.665 -4.800
23 H ARG 3 H ARG 3 7.481 -0.448 -2.166
24 HA ARG 3 HA ARG 3 4.686 -1.135 -2.011
25 HB2 ARG 3 HB1 ARG 3 5.513 -3.103 -3.111
26 HB3 ARG 3 HB2 ARG 3 6.856 -3.259 -2.035
27 HG2 ARG 3 HG1 ARG 3 4.247 -3.612 -0.689
28 HG3 ARG 3 HG2 ARG 3 4.435 -4.657 -2.077
29 HD2 ARG 3 HD1 ARG 3 6.220 -4.627 0.374
30 HD3 ARG 3 HD2 ARG 3 5.098 -5.887 -0.148
31 HE ARG 3 HE ARG 3 6.558 -6.517 -1.925
32 HH11 ARG 3 HH12 ARG 3 8.228 -4.582 0.428
33 HH12 ARG 3 HH11 ARG 3 9.562 -4.228 -0.634
34 HH21 ARG 3 HH22 ARG 3 8.404 -6.131 -3.232
35 HH22 ARG 3 HH21 ARG 3 9.640 -5.076 -2.616
36 H PHE 4 H PHE 4 5.685 -2.719 0.471
37 HA PHE 4 HA PHE 4 3.822 -1.413 1.255
38 HB2 PHE 4 HB1 PHE 4 5.713 -2.975 2.907
39 HB3 PHE 4 HB2 PHE 4 4.318 -2.363 3.717
40 HD1 PHE 4 HD1 PHE 4 2.373 -2.675 1.155
41 HD2 PHE 4 HD2 PHE 4 5.042 -5.313 3.289
42 HE1 PHE 4 HE1 PHE 4 1.185 -4.598 0.245
43 HE2 PHE 4 HE2 PHE 4 3.730 -7.246 2.437
44 HZ PHE 4 HZ PHE 4 1.838 -6.895 0.870
45 H ASP 5 H ASP 5 4.536 1.511 1.228
46 HA ASP 5 HA ASP 5 2.338 1.205 2.957
47 HB2 ASP 5 HB1 ASP 5 1.911 3.602 2.373
48 HB3 ASP 5 HB2 ASP 5 3.446 3.122 3.146
49 H LEU 6 H LEU 6 2.451 0.005 -0.042
50 HA LEU 6 HA LEU 6 -0.133 1.033 -0.857
51 HB2 LEU 6 HB1 LEU 6 0.520 0.691 -2.924
52 HB3 LEU 6 HB2 LEU 6 2.063 0.690 -2.126
53 HG LEU 6 HG LEU 6 2.384 -0.865 -3.660
54 HD11 LEU 6 HD21 LEU 6 1.257 -2.948 -1.807
55 HD12 LEU 6 HD22 LEU 6 2.746 -2.919 -2.754
56 HD13 LEU 6 HD23 LEU 6 2.630 -1.913 -1.283
57 HD21 LEU 6 HD11 LEU 6 0.859 -2.568 -4.509
58 HD22 LEU 6 HD12 LEU 6 -0.419 -1.985 -3.400
59 HD23 LEU 6 HD13 LEU 6 0.223 -0.925 -4.695
60 H LEU 7 H LEU 7 0.186 -1.788 0.976
61 HA LEU 7 HA LEU 7 -2.504 -2.641 0.067
62 HB2 LEU 7 HB1 LEU 7 -2.641 -4.190 1.651
63 HB3 LEU 7 HB2 LEU 7 -0.969 -4.265 1.123
64 HG LEU 7 HG LEU 7 -2.137 -3.385 3.796
65 HD11 LEU 7 HD21 LEU 7 -0.832 -5.231 4.603
66 HD12 LEU 7 HD22 LEU 7 -1.515 -5.810 3.063
67 HD13 LEU 7 HD23 LEU 7 0.172 -5.245 3.128
68 HD21 LEU 7 HD11 LEU 7 -0.433 -1.677 3.436
69 HD22 LEU 7 HD12 LEU 7 0.693 -2.867 2.760
70 HD23 LEU 7 HD13 LEU 7 0.281 -2.925 4.483
71 H LYS 8 H LYS 8 -1.222 0.050 1.836
72 HA LYS 8 HA LYS 8 -3.926 0.634 2.909
73 HB2 LYS 8 HB1 LYS 8 -1.523 2.421 3.090
74 HB3 LYS 8 HB2 LYS 8 -3.021 2.541 3.952
75 HG2 LYS 8 HG1 LYS 8 -0.607 0.916 4.462
76 HG3 LYS 8 HG2 LYS 8 -1.619 1.749 5.603
77 HD2 LYS 8 HD1 LYS 8 -2.519 -0.918 4.442
78 HD3 LYS 8 HD2 LYS 8 -1.228 -0.838 5.635
79 HE2 LYS 8 HE1 LYS 8 -2.668 0.074 7.319
80 HE3 LYS 8 HE2 LYS 8 -4.006 0.222 6.182
81 HZ1 LYS 8 HZ1 LYS 8 -2.745 -2.376 6.927
82 HZ2 LYS 8 HZ2 LYS 8 -4.125 -1.780 7.594
83 HZ3 LYS 8 HZ3 LYS 8 -4.090 -2.178 6.003
84 H ARG 9 H ARG 9 -2.003 1.402 0.018
85 HA ARG 9 HA ARG 9 -4.260 2.843 -1.153
86 HB2 ARG 9 HB1 ARG 9 -1.988 1.349 -2.478
87 HB3 ARG 9 HB2 ARG 9 -3.450 1.699 -3.369
88 HG2 ARG 9 HG1 ARG 9 -3.162 4.171 -2.735
89 HG3 ARG 9 HG2 ARG 9 -1.545 3.741 -2.176
90 HD2 ARG 9 HD1 ARG 9 -1.379 4.550 -4.454
91 HD3 ARG 9 HD2 ARG 9 -1.039 2.807 -4.452
92 HE ARG 9 HE ARG 9 -3.722 3.969 -5.196
93 HH11 ARG 9 HH11 ARG 9 -1.050 2.251 -6.500
94 HH12 ARG 9 HH12 ARG 9 -2.038 1.160 -7.439
95 HH21 ARG 9 HH21 ARG 9 -5.011 2.427 -6.318
96 HH22 ARG 9 HH22 ARG 9 -4.202 1.277 -7.335
97 H ILE 10 H ILE 10 -3.694 -0.760 -1.334
98 HA ILE 10 HA ILE 10 -6.117 -1.248 -2.680
99 HB ILE 10 HB ILE 10 -4.759 -3.113 -0.703
100 HG12 ILE 10 HG12 ILE 10 -4.616 -3.245 -3.754
101 HG13 ILE 10 HG13 ILE 10 -3.469 -2.288 -2.826
102 HG21 ILE 10 HG21 ILE 10 -5.960 -4.944 -1.845
103 HG22 ILE 10 HG22 ILE 10 -7.135 -3.819 -1.182
104 HG23 ILE 10 HG23 ILE 10 -6.774 -3.787 -2.919
105 HD11 ILE 10 HD11 ILE 10 -2.401 -4.362 -3.201
106 HD12 ILE 10 HD12 ILE 10 -2.908 -4.399 -1.500
107 HD13 ILE 10 HD13 ILE 10 -3.832 -5.295 -2.731
108 H LEU 11 H LEU 11 -5.801 -0.988 0.919
109 HA LEU 11 HA LEU 11 -8.599 -1.646 1.288
110 HB2 LEU 11 HB1 LEU 11 -8.013 -2.115 3.338
111 HB3 LEU 11 HB2 LEU 11 -6.364 -1.818 2.840
112 HG LEU 11 HG LEU 11 -7.198 0.686 3.657
113 HD11 LEU 11 HD21 LEU 11 -9.284 -0.123 4.659
114 HD12 LEU 11 HD22 LEU 11 -8.156 0.451 5.887
115 HD13 LEU 11 HD23 LEU 11 -8.352 -1.310 5.617
116 HD21 LEU 11 HD11 LEU 11 -5.832 0.478 5.504
117 HD22 LEU 11 HD12 LEU 11 -5.082 -0.450 4.186
118 HD23 LEU 11 HD13 LEU 11 -5.952 -1.319 5.489
119 H LYS 12 H LYS 12 -7.572 1.129 -0.067
120 HA LYS 12 HA LYS 12 -8.019 3.342 0.020
121 HB2 LYS 12 HB1 LYS 12 -10.570 2.918 1.605
122 HB3 LYS 12 HB2 LYS 12 -10.131 4.266 0.601
123 HG2 LYS 12 HG1 LYS 12 -12.023 3.023 -0.263
124 HG3 LYS 12 HG2 LYS 12 -10.712 3.053 -1.442
125 HD2 LYS 12 HD1 LYS 12 -10.143 0.746 -0.908
126 HD3 LYS 12 HD2 LYS 12 -11.326 0.721 0.429
127 HE2 LYS 12 HE1 LYS 12 -13.163 0.765 -1.168
128 HE3 LYS 12 HE2 LYS 12 -12.028 0.995 -2.514
129 HZ1 LYS 12 HZ1 LYS 12 -12.563 -1.342 -2.336
130 HZ2 LYS 12 HZ2 LYS 12 -10.996 -1.147 -1.859
131 HZ3 LYS 12 HZ3 LYS 12 -12.167 -1.381 -0.739
Start of MODEL 12
1 H1 VAL 1 H VAL 1 11.668 -1.167 -0.767
2 HA VAL 1 HA VAL 1 9.272 -0.487 0.474
3 HB VAL 1 HB VAL 1 10.242 1.764 0.808
4 HG11 VAL 1 HG21 VAL 1 10.813 -0.131 2.263
5 HG12 VAL 1 HG22 VAL 1 12.164 1.000 2.119
6 HG13 VAL 1 HG23 VAL 1 12.198 -0.533 1.229
7 HG21 VAL 1 HG11 VAL 1 11.383 2.084 -1.371
8 HG22 VAL 1 HG12 VAL 1 12.492 2.300 -0.009
9 HG23 VAL 1 HG13 VAL 1 12.537 0.802 -0.947
10 H ARG 2 H ARG 2 9.431 -0.788 -2.678
11 HA ARG 2 HA ARG 2 7.015 0.962 -2.825
12 HB2 ARG 2 HB1 ARG 2 9.024 1.261 -4.566
13 HB3 ARG 2 HB2 ARG 2 8.161 -0.016 -5.415
14 HG2 ARG 2 HG1 ARG 2 7.583 2.293 -6.143
15 HG3 ARG 2 HG2 ARG 2 6.170 1.395 -5.584
16 HD2 ARG 2 HD1 ARG 2 5.794 2.805 -3.810
17 HD3 ARG 2 HD2 ARG 2 7.507 2.973 -3.453
18 HE ARG 2 HE ARG 2 7.592 4.926 -4.533
19 HH11 ARG 2 HH12 ARG 2 4.812 3.352 -5.942
20 HH12 ARG 2 HH11 ARG 2 4.266 4.814 -6.722
21 HH21 ARG 2 HH22 ARG 2 6.806 6.762 -5.474
22 HH22 ARG 2 HH21 ARG 2 5.363 6.704 -6.435
23 H ARG 3 H ARG 3 7.677 -2.035 -2.022
24 HA ARG 3 HA ARG 3 4.853 -1.911 -1.847
25 HB2 ARG 3 HB1 ARG 3 3.967 -3.665 -2.718
26 HB3 ARG 3 HB2 ARG 3 5.206 -3.435 -3.885
27 HG2 ARG 3 HG1 ARG 3 5.233 -5.694 -1.800
28 HG3 ARG 3 HG2 ARG 3 4.318 -5.691 -3.274
29 HD2 ARG 3 HD1 ARG 3 6.650 -5.231 -4.430
30 HD3 ARG 3 HD2 ARG 3 7.263 -6.019 -2.969
31 HE ARG 3 HE ARG 3 5.481 -7.153 -5.085
32 HH11 ARG 3 HH12 ARG 3 7.323 -7.908 -2.207
33 HH12 ARG 3 HH11 ARG 3 7.074 -9.620 -2.400
34 HH21 ARG 3 HH22 ARG 3 5.082 -9.337 -5.182
35 HH22 ARG 3 HH21 ARG 3 5.817 -10.391 -4.023
36 H PHE 4 H PHE 4 5.625 -1.209 0.345
37 HA PHE 4 HA PHE 4 3.345 -2.327 0.481
38 HB2 PHE 4 HB1 PHE 4 4.924 -4.042 2.318
39 HB3 PHE 4 HB2 PHE 4 3.325 -3.689 2.816
40 HD1 PHE 4 HD1 PHE 4 3.080 -3.879 -0.780
41 HD2 PHE 4 HD2 PHE 4 3.428 -6.214 2.831
42 HE1 PHE 4 HE1 PHE 4 2.175 -5.838 -1.957
43 HE2 PHE 4 HE2 PHE 4 2.392 -8.139 1.661
44 HZ PHE 4 HZ PHE 4 1.783 -7.963 -0.741
45 H ASP 5 H ASP 5 4.179 0.497 1.182
46 HA ASP 5 HA ASP 5 1.469 0.321 2.524
47 HB2 ASP 5 HB1 ASP 5 1.656 2.522 3.265
48 HB3 ASP 5 HB2 ASP 5 3.170 1.734 3.713
49 H LEU 6 H LEU 6 2.270 -0.183 -0.312
50 HA LEU 6 HA LEU 6 0.056 1.537 -1.383
51 HB2 LEU 6 HB1 LEU 6 0.487 0.862 -3.593
52 HB3 LEU 6 HB2 LEU 6 1.751 1.823 -2.820
53 HG LEU 6 HG LEU 6 3.317 0.125 -2.883
54 HD11 LEU 6 HD21 LEU 6 2.158 -1.794 -1.930
55 HD12 LEU 6 HD22 LEU 6 2.766 -2.221 -3.562
56 HD13 LEU 6 HD23 LEU 6 1.053 -1.865 -3.341
57 HD21 LEU 6 HD11 LEU 6 1.530 -0.424 -5.330
58 HD22 LEU 6 HD12 LEU 6 3.278 -0.708 -5.208
59 HD23 LEU 6 HD13 LEU 6 2.654 0.960 -5.162
60 H LEU 7 H LEU 7 0.379 -1.820 -0.265
61 HA LEU 7 HA LEU 7 -2.446 -2.089 -1.234
62 HB2 LEU 7 HB1 LEU 7 -1.416 -4.133 0.613
63 HB3 LEU 7 HB2 LEU 7 -2.640 -4.179 -0.665
64 HG LEU 7 HG LEU 7 0.368 -4.203 -1.007
65 HD11 LEU 7 HD21 LEU 7 -1.822 -6.265 -1.562
66 HD12 LEU 7 HD22 LEU 7 -0.077 -6.514 -1.755
67 HD13 LEU 7 HD23 LEU 7 -0.757 -6.248 -0.138
68 HD21 LEU 7 HD11 LEU 7 -1.537 -4.701 -3.298
69 HD22 LEU 7 HD12 LEU 7 -0.982 -3.038 -2.949
70 HD23 LEU 7 HD13 LEU 7 0.192 -4.312 -3.310
71 H LYS 8 H LYS 8 -0.727 -1.029 1.600
72 HA LYS 8 HA LYS 8 -3.311 -0.556 2.981
73 HB2 LYS 8 HB1 LYS 8 -0.680 0.626 3.855
74 HB3 LYS 8 HB2 LYS 8 -2.143 0.336 4.783
75 HG2 LYS 8 HG1 LYS 8 -0.093 -1.697 3.833
76 HG3 LYS 8 HG2 LYS 8 -0.472 -1.229 5.492
77 HD2 LYS 8 HD1 LYS 8 -2.623 -2.419 5.398
78 HD3 LYS 8 HD2 LYS 8 -2.387 -2.751 3.674
79 HE2 LYS 8 HE1 LYS 8 -1.794 -4.765 4.616
80 HE3 LYS 8 HE2 LYS 8 -0.241 -3.991 4.278
81 HZ1 LYS 8 HZ1 LYS 8 -0.225 -4.972 6.464
82 HZ2 LYS 8 HZ2 LYS 8 -0.179 -3.341 6.657
83 HZ3 LYS 8 HZ3 LYS 8 -1.575 -4.172 6.925
84 H ARG 9 H ARG 9 -2.184 0.514 0.225
85 HA ARG 9 HA ARG 9 -3.827 2.984 0.470
86 HB2 ARG 9 HB1 ARG 9 -1.582 3.431 -0.446
87 HB3 ARG 9 HB2 ARG 9 -1.895 2.290 -1.777
88 HG2 ARG 9 HG1 ARG 9 -3.632 3.653 -2.685
89 HG3 ARG 9 HG2 ARG 9 -3.585 4.738 -1.276
90 HD2 ARG 9 HD1 ARG 9 -1.185 4.298 -3.111
91 HD3 ARG 9 HD2 ARG 9 -2.442 5.468 -3.514
92 HE ARG 9 HE ARG 9 -0.272 5.817 -1.682
93 HH11 ARG 9 HH12 ARG 9 -3.647 6.674 -1.749
94 HH12 ARG 9 HH11 ARG 9 -3.374 8.173 -0.882
95 HH21 ARG 9 HH22 ARG 9 0.015 7.786 -0.728
96 HH22 ARG 9 HH21 ARG 9 -1.354 8.788 -0.347
97 H ILE 10 H ILE 10 -3.800 -0.264 -0.886
98 HA ILE 10 HA ILE 10 -6.207 0.325 -2.517
99 HB ILE 10 HB ILE 10 -4.643 -2.223 -2.037
100 HG12 ILE 10 HG12 ILE 10 -5.204 -0.669 -4.618
101 HG13 ILE 10 HG13 ILE 10 -3.819 -0.308 -3.591
102 HG21 ILE 10 HG21 ILE 10 -6.123 -3.263 -3.782
103 HG22 ILE 10 HG22 ILE 10 -6.985 -2.934 -2.280
104 HG23 ILE 10 HG23 ILE 10 -7.207 -1.864 -3.680
105 HD11 ILE 10 HD11 ILE 10 -3.016 -1.665 -5.336
106 HD12 ILE 10 HD12 ILE 10 -3.034 -2.677 -3.875
107 HD13 ILE 10 HD13 ILE 10 -4.287 -2.883 -5.121
108 H LEU 11 H LEU 11 -5.468 -1.125 0.632
109 HA LEU 11 HA LEU 11 -8.339 -0.663 1.372
110 HB2 LEU 11 HB1 LEU 11 -6.164 -2.379 2.402
111 HB3 LEU 11 HB2 LEU 11 -6.964 -1.507 3.676
112 HG LEU 11 HG LEU 11 -7.892 -3.733 3.302
113 HD11 LEU 11 HD21 LEU 11 -9.299 -2.032 4.344
114 HD12 LEU 11 HD22 LEU 11 -9.886 -1.491 2.755
115 HD13 LEU 11 HD23 LEU 11 -10.273 -3.118 3.339
116 HD21 LEU 11 HD11 LEU 11 -9.219 -4.325 1.403
117 HD22 LEU 11 HD12 LEU 11 -7.639 -3.782 0.803
118 HD23 LEU 11 HD13 LEU 11 -9.059 -2.712 0.689
119 H LYS 12 H LYS 12 -7.223 1.610 0.496
120 HA LYS 12 HA LYS 12 -8.205 3.145 2.658
121 HB2 LYS 12 HB1 LYS 12 -5.331 3.741 1.880
122 HB3 LYS 12 HB2 LYS 12 -6.403 5.038 2.346
123 HG2 LYS 12 HG1 LYS 12 -5.337 2.830 4.104
124 HG3 LYS 12 HG2 LYS 12 -5.160 4.573 4.254
125 HD2 LYS 12 HD1 LYS 12 -7.599 4.758 4.840
126 HD3 LYS 12 HD2 LYS 12 -7.734 3.002 4.692
127 HE2 LYS 12 HE1 LYS 12 -7.580 3.328 6.965
128 HE3 LYS 12 HE2 LYS 12 -5.999 2.723 6.468
129 HZ1 LYS 12 HZ1 LYS 12 -5.838 4.585 8.025
130 HZ2 LYS 12 HZ2 LYS 12 -6.658 5.571 7.009
131 HZ3 LYS 12 HZ3 LYS 12 -5.168 5.008 6.585
Start of MODEL 13
1 H1 VAL 1 H VAL 1 8.766 -2.623 1.263
2 HA VAL 1 HA VAL 1 10.807 -2.030 -0.395
3 HB VAL 1 HB VAL 1 9.469 -4.768 -0.321
4 HG11 VAL 1 HG21 VAL 1 11.888 -5.510 -0.646
5 HG12 VAL 1 HG22 VAL 1 11.163 -4.714 -2.053
6 HG13 VAL 1 HG23 VAL 1 12.311 -3.824 -1.009
7 HG21 VAL 1 HG11 VAL 1 9.967 -3.891 2.000
8 HG22 VAL 1 HG12 VAL 1 10.998 -5.245 1.542
9 HG23 VAL 1 HG13 VAL 1 11.647 -3.589 1.492
10 H ARG 2 H ARG 2 10.050 -0.555 -1.710
11 HA ARG 2 HA ARG 2 9.024 0.543 -3.416
12 HB2 ARG 2 HB1 ARG 2 10.704 -1.057 -4.538
13 HB3 ARG 2 HB2 ARG 2 9.305 -1.986 -5.064
14 HG2 ARG 2 HG1 ARG 2 10.040 -0.563 -6.851
15 HG3 ARG 2 HG2 ARG 2 8.489 0.073 -6.318
16 HD2 ARG 2 HD1 ARG 2 9.429 1.986 -5.354
17 HD3 ARG 2 HD2 ARG 2 10.993 1.189 -5.074
18 HE ARG 2 HE ARG 2 10.350 1.529 -7.900
19 HH11 ARG 2 HH12 ARG 2 11.802 3.157 -5.165
20 HH12 ARG 2 HH11 ARG 2 12.948 4.015 -6.152
21 HH21 ARG 2 HH21 ARG 2 11.886 2.645 -9.120
22 HH22 ARG 2 HH22 ARG 2 12.974 3.733 -8.322
23 H ARG 3 H ARG 3 7.180 -0.723 -1.636
24 HA ARG 3 HA ARG 3 4.917 0.329 -3.048
25 HB2 ARG 3 HB1 ARG 3 3.419 -1.543 -3.131
26 HB3 ARG 3 HB2 ARG 3 4.813 -1.845 -4.094
27 HG2 ARG 3 HG1 ARG 3 5.681 -3.185 -1.961
28 HG3 ARG 3 HG2 ARG 3 3.979 -3.110 -1.478
29 HD2 ARG 3 HD1 ARG 3 4.459 -5.207 -2.599
30 HD3 ARG 3 HD2 ARG 3 3.298 -4.266 -3.531
31 HE ARG 3 HE ARG 3 6.179 -4.748 -4.177
32 HH11 ARG 3 HH11 ARG 3 3.055 -3.757 -5.363
33 HH12 ARG 3 HH12 ARG 3 3.640 -3.495 -6.991
34 HH21 ARG 3 HH21 ARG 3 6.883 -4.280 -6.241
35 HH22 ARG 3 HH22 ARG 3 5.751 -3.776 -7.460
36 H PHE 4 H PHE 4 6.311 0.424 -0.234
37 HA PHE 4 HA PHE 4 3.830 0.032 1.254
38 HB2 PHE 4 HB1 PHE 4 6.519 -0.259 2.260
39 HB3 PHE 4 HB2 PHE 4 5.179 0.115 3.340
40 HD1 PHE 4 HD2 PHE 4 6.222 -2.255 0.582
41 HD2 PHE 4 HD1 PHE 4 3.516 -1.528 3.857
42 HE1 PHE 4 HE2 PHE 4 5.204 -4.500 0.254
43 HE2 PHE 4 HE1 PHE 4 2.490 -3.771 3.480
44 HZ PHE 4 HZ PHE 4 3.325 -5.228 1.681
45 H ASP 5 H ASP 5 4.206 2.775 -0.277
46 HA ASP 5 HA ASP 5 1.671 2.558 1.283
47 HB2 ASP 5 HB1 ASP 5 1.053 4.718 0.882
48 HB3 ASP 5 HB2 ASP 5 2.612 4.805 1.581
49 H LEU 6 H LEU 6 2.005 0.639 -0.605
50 HA LEU 6 HA LEU 6 -0.432 1.359 -2.193
51 HB2 LEU 6 HB1 LEU 6 0.348 0.416 -3.932
52 HB3 LEU 6 HB2 LEU 6 1.852 0.132 -3.130
53 HG LEU 6 HG LEU 6 1.458 -1.834 -4.099
54 HD11 LEU 6 HD21 LEU 6 1.162 -3.570 -2.633
55 HD12 LEU 6 HD22 LEU 6 1.675 -2.229 -1.586
56 HD13 LEU 6 HD23 LEU 6 -0.029 -2.739 -1.637
57 HD21 LEU 6 HD11 LEU 6 -0.355 -2.228 -5.192
58 HD22 LEU 6 HD12 LEU 6 -1.058 -2.910 -3.737
59 HD23 LEU 6 HD13 LEU 6 -1.367 -1.204 -4.125
60 H LEU 7 H LEU 7 0.680 -0.688 0.448
61 HA LEU 7 HA LEU 7 -1.616 -2.319 0.566
62 HB2 LEU 7 HB1 LEU 7 -0.907 -3.078 2.558
63 HB3 LEU 7 HB2 LEU 7 0.593 -2.566 1.818
64 HG LEU 7 HG LEU 7 -0.969 -0.911 3.872
65 HD11 LEU 7 HD21 LEU 7 0.002 -1.845 5.616
66 HD12 LEU 7 HD22 LEU 7 1.506 -2.225 4.785
67 HD13 LEU 7 HD23 LEU 7 0.082 -3.274 4.578
68 HD21 LEU 7 HD11 LEU 7 0.509 0.587 2.739
69 HD22 LEU 7 HD12 LEU 7 1.762 -0.652 2.581
70 HD23 LEU 7 HD13 LEU 7 1.424 0.090 4.155
71 H LYS 8 H LYS 8 -1.147 0.861 2.177
72 HA LYS 8 HA LYS 8 -3.801 0.933 3.171
73 HB2 LYS 8 HB1 LYS 8 -3.313 2.885 4.123
74 HB3 LYS 8 HB2 LYS 8 -1.679 2.363 3.812
75 HG2 LYS 8 HG1 LYS 8 -3.311 4.457 2.301
76 HG3 LYS 8 HG2 LYS 8 -1.907 4.719 3.336
77 HD2 LYS 8 HD1 LYS 8 -0.412 3.761 1.825
78 HD3 LYS 8 HD2 LYS 8 -1.644 3.020 0.849
79 HE2 LYS 8 HE1 LYS 8 -0.955 4.715 -0.518
80 HE3 LYS 8 HE2 LYS 8 -2.505 5.250 0.124
81 HZ1 LYS 8 HZ1 LYS 8 -1.393 7.136 0.628
82 HZ2 LYS 8 HZ2 LYS 8 -0.485 6.324 1.758
83 HZ3 LYS 8 HZ3 LYS 8 0.034 6.450 0.203
84 H ARG 9 H ARG 9 -2.876 0.992 0.026
85 HA ARG 9 HA ARG 9 -5.432 2.228 -0.847
86 HB2 ARG 9 HB1 ARG 9 -3.882 3.282 -2.097
87 HB3 ARG 9 HB2 ARG 9 -2.868 1.893 -2.333
88 HG2 ARG 9 HG1 ARG 9 -5.611 1.758 -3.536
89 HG3 ARG 9 HG2 ARG 9 -4.514 2.947 -4.227
90 HD2 ARG 9 HD1 ARG 9 -3.594 0.064 -3.881
91 HD3 ARG 9 HD2 ARG 9 -4.706 0.519 -5.181
92 HE ARG 9 HE ARG 9 -2.262 2.164 -4.958
93 HH11 ARG 9 HH11 ARG 9 -3.731 -0.548 -6.625
94 HH12 ARG 9 HH12 ARG 9 -2.836 -0.267 -8.087
95 HH21 ARG 9 HH21 ARG 9 -1.183 2.509 -6.911
96 HH22 ARG 9 HH22 ARG 9 -1.433 1.407 -8.224
97 H ILE 10 H ILE 10 -3.770 -0.994 -0.824
98 HA ILE 10 HA ILE 10 -6.089 -2.203 -2.097
99 HB ILE 10 HB ILE 10 -5.283 -4.281 -1.762
100 HG12 ILE 10 HG12 ILE 10 -3.697 -3.399 0.649
101 HG13 ILE 10 HG13 ILE 10 -5.014 -4.566 0.557
102 HG21 ILE 10 HG21 ILE 10 -3.097 -4.254 -2.650
103 HG22 ILE 10 HG22 ILE 10 -2.680 -2.726 -1.832
104 HG23 ILE 10 HG23 ILE 10 -3.863 -2.763 -3.181
105 HD11 ILE 10 HD11 ILE 10 -2.825 -5.656 0.863
106 HD12 ILE 10 HD12 ILE 10 -3.576 -6.128 -0.681
107 HD13 ILE 10 HD13 ILE 10 -2.221 -4.960 -0.636
108 H LEU 11 H LEU 11 -5.468 -1.467 1.366
109 HA LEU 11 HA LEU 11 -7.905 -2.820 2.110
110 HB2 LEU 11 HB1 LEU 11 -7.200 -2.672 4.146
111 HB3 LEU 11 HB2 LEU 11 -5.711 -2.104 3.494
112 HG LEU 11 HG LEU 11 -7.381 0.234 3.908
113 HD11 LEU 11 HD21 LEU 11 -8.761 -1.254 5.365
114 HD12 LEU 11 HD22 LEU 11 -7.991 0.074 6.239
115 HD13 LEU 11 HD23 LEU 11 -7.317 -1.572 6.356
116 HD21 LEU 11 HD11 LEU 11 -5.595 0.128 6.072
117 HD22 LEU 11 HD12 LEU 11 -4.734 -0.628 4.723
118 HD23 LEU 11 HD13 LEU 11 -5.459 0.995 4.554
119 H LYS 12 H LYS 12 -7.863 -0.116 0.276
120 HA LYS 12 HA LYS 12 -9.362 1.888 1.603
121 HB2 LYS 12 HB1 LYS 12 -9.107 1.077 -1.314
122 HB3 LYS 12 HB2 LYS 12 -10.203 2.395 -0.883
123 HG2 LYS 12 HG1 LYS 12 -8.525 3.846 -0.159
124 HG3 LYS 12 HG2 LYS 12 -7.328 2.549 -0.078
125 HD2 LYS 12 HD1 LYS 12 -6.752 3.604 -2.094
126 HD3 LYS 12 HD2 LYS 12 -7.736 2.246 -2.620
127 HE2 LYS 12 HE1 LYS 12 -8.400 3.966 -3.988
128 HE3 LYS 12 HE2 LYS 12 -9.710 3.831 -2.815
129 HZ1 LYS 12 HZ1 LYS 12 -9.044 6.140 -3.230
130 HZ2 LYS 12 HZ2 LYS 12 -7.516 5.845 -2.717
131 HZ3 LYS 12 HZ3 LYS 12 -8.774 5.757 -1.658
Start of MODEL 14
1 H1 VAL 1 H VAL 1 11.713 -1.713 -5.121
2 HA VAL 1 HA VAL 1 10.816 -3.208 -3.227
3 HB VAL 1 HB VAL 1 11.595 -0.634 -1.831
4 HG11 VAL 1 HG21 VAL 1 10.187 -1.335 0.174
5 HG12 VAL 1 HG22 VAL 1 9.344 -0.554 -1.148
6 HG13 VAL 1 HG23 VAL 1 9.261 -2.347 -0.959
7 HG21 VAL 1 HG11 VAL 1 12.971 -2.725 -1.685
8 HG22 VAL 1 HG12 VAL 1 11.589 -3.553 -0.913
9 HG23 VAL 1 HG13 VAL 1 12.378 -2.168 -0.102
10 H ARG 2 H ARG 2 10.164 0.282 -3.621
11 HA ARG 2 HA ARG 2 8.117 1.382 -3.634
12 HB2 ARG 2 HB1 ARG 2 8.982 1.070 -5.998
13 HB3 ARG 2 HB2 ARG 2 7.801 -0.224 -6.200
14 HG2 ARG 2 HG1 ARG 2 6.993 1.847 -7.175
15 HG3 ARG 2 HG2 ARG 2 5.955 1.415 -5.828
16 HD2 ARG 2 HD1 ARG 2 8.172 3.159 -4.960
17 HD3 ARG 2 HD2 ARG 2 7.312 3.881 -6.301
18 HE ARG 2 HE ARG 2 6.413 3.703 -3.582
19 HH11 ARG 2 HH12 ARG 2 5.078 3.593 -6.805
20 HH12 ARG 2 HH11 ARG 2 3.501 4.111 -6.287
21 HH21 ARG 2 HH22 ARG 2 4.399 4.377 -2.953
22 HH22 ARG 2 HH21 ARG 2 3.152 4.580 -4.144
23 H ARG 3 H ARG 3 7.978 -0.739 -1.988
24 HA ARG 3 HA ARG 3 5.258 -1.745 -2.371
25 HB2 ARG 3 HB1 ARG 3 7.053 -3.401 -2.640
26 HB3 ARG 3 HB2 ARG 3 7.351 -3.361 -0.918
27 HG2 ARG 3 HG1 ARG 3 5.592 -4.687 -0.533
28 HG3 ARG 3 HG2 ARG 3 4.504 -3.652 -1.463
29 HD2 ARG 3 HD1 ARG 3 6.121 -5.914 -2.644
30 HD3 ARG 3 HD2 ARG 3 4.393 -5.891 -2.203
31 HE ARG 3 HE ARG 3 4.515 -3.795 -3.944
32 HH11 ARG 3 HH12 ARG 3 5.596 -7.132 -4.393
33 HH12 ARG 3 HH11 ARG 3 5.332 -7.050 -6.106
34 HH21 ARG 3 HH22 ARG 3 4.209 -3.826 -6.151
35 HH22 ARG 3 HH21 ARG 3 4.542 -5.278 -7.042
36 H PHE 4 H PHE 4 5.972 -2.467 0.852
37 HA PHE 4 HA PHE 4 3.448 -1.475 1.176
38 HB2 PHE 4 HB1 PHE 4 5.319 -2.974 2.935
39 HB3 PHE 4 HB2 PHE 4 3.743 -2.552 3.537
40 HD1 PHE 4 HD2 PHE 4 3.100 -3.117 0.066
41 HD2 PHE 4 HD1 PHE 4 3.962 -5.083 3.815
42 HE1 PHE 4 HE2 PHE 4 2.020 -5.168 -0.763
43 HE2 PHE 4 HE1 PHE 4 2.824 -7.121 2.983
44 HZ PHE 4 HZ PHE 4 1.889 -7.182 0.683
45 H ASP 5 H ASP 5 4.415 1.277 1.136
46 HA ASP 5 HA ASP 5 1.858 1.281 2.681
47 HB2 ASP 5 HB1 ASP 5 1.697 3.697 2.461
48 HB3 ASP 5 HB2 ASP 5 2.951 3.078 3.494
49 H LEU 6 H LEU 6 2.524 0.100 -0.122
50 HA LEU 6 HA LEU 6 0.091 1.288 -1.362
51 HB2 LEU 6 HB1 LEU 6 0.855 1.117 -3.341
52 HB3 LEU 6 HB2 LEU 6 2.379 1.209 -2.475
53 HG LEU 6 HG LEU 6 2.824 -0.330 -4.074
54 HD11 LEU 6 HD21 LEU 6 2.908 -2.583 -3.215
55 HD12 LEU 6 HD22 LEU 6 1.739 -2.219 -1.941
56 HD13 LEU 6 HD23 LEU 6 3.296 -1.392 -1.947
57 HD21 LEU 6 HD11 LEU 6 1.397 -2.034 -5.011
58 HD22 LEU 6 HD12 LEU 6 0.115 -1.649 -3.835
59 HD23 LEU 6 HD13 LEU 6 0.593 -0.453 -5.080
60 H LEU 7 H LEU 7 0.570 -1.605 0.347
61 HA LEU 7 HA LEU 7 -2.158 -2.394 -0.594
62 HB2 LEU 7 HB1 LEU 7 -2.064 -4.320 0.484
63 HB3 LEU 7 HB2 LEU 7 -0.377 -4.132 0.035
64 HG LEU 7 HG LEU 7 -1.614 -3.622 2.797
65 HD11 LEU 7 HD21 LEU 7 -1.614 -5.884 2.639
66 HD12 LEU 7 HD22 LEU 7 0.046 -5.668 3.214
67 HD13 LEU 7 HD23 LEU 7 -0.273 -5.955 1.494
68 HD21 LEU 7 HD11 LEU 7 0.199 -2.209 2.989
69 HD22 LEU 7 HD12 LEU 7 1.058 -3.716 3.274
70 HD23 LEU 7 HD13 LEU 7 1.061 -2.971 1.672
71 H LYS 8 H LYS 8 -0.588 -0.493 1.918
72 HA LYS 8 HA LYS 8 -3.182 -0.092 3.241
73 HB2 LYS 8 HB1 LYS 8 -0.689 1.506 3.770
74 HB3 LYS 8 HB2 LYS 8 -2.170 1.469 4.692
75 HG2 LYS 8 HG1 LYS 8 0.167 -0.323 4.763
76 HG3 LYS 8 HG2 LYS 8 -0.829 0.238 6.070
77 HD2 LYS 8 HD1 LYS 8 -2.112 -1.852 4.382
78 HD3 LYS 8 HD2 LYS 8 -0.595 -2.339 5.103
79 HE2 LYS 8 HE1 LYS 8 -2.985 -1.380 6.715
80 HE3 LYS 8 HE2 LYS 8 -2.630 -3.055 6.296
81 HZ1 LYS 8 HZ1 LYS 8 -1.815 -2.653 8.467
82 HZ2 LYS 8 HZ2 LYS 8 -0.508 -2.848 7.511
83 HZ3 LYS 8 HZ3 LYS 8 -0.939 -1.345 8.022
84 H ARG 9 H ARG 9 -1.780 1.031 0.336
85 HA ARG 9 HA ARG 9 -4.024 2.925 -0.057
86 HB2 ARG 9 HB1 ARG 9 -2.141 1.675 -2.089
87 HB3 ARG 9 HB2 ARG 9 -3.395 2.813 -2.480
88 HG2 ARG 9 HG1 ARG 9 -1.328 3.615 -0.427
89 HG3 ARG 9 HG2 ARG 9 -0.884 3.570 -2.134
90 HD2 ARG 9 HD1 ARG 9 -2.764 5.127 -2.635
91 HD3 ARG 9 HD2 ARG 9 -3.129 5.209 -0.906
92 HE ARG 9 HE ARG 9 -0.567 6.101 -2.212
93 HH11 ARG 9 HH12 ARG 9 -2.858 6.639 0.396
94 HH12 ARG 9 HH11 ARG 9 -1.949 7.990 1.005
95 HH21 ARG 9 HH22 ARG 9 0.595 7.738 -1.268
96 HH22 ARG 9 HH21 ARG 9 -0.060 8.574 0.093
97 H ILE 10 H ILE 10 -3.505 -0.584 -0.847
98 HA ILE 10 HA ILE 10 -5.968 -0.583 -2.366
99 HB ILE 10 HB ILE 10 -4.328 -2.951 -1.489
100 HG12 ILE 10 HG12 ILE 10 -4.668 -1.840 -4.320
101 HG13 ILE 10 HG13 ILE 10 -3.468 -1.145 -3.251
102 HG21 ILE 10 HG21 ILE 10 -5.627 -4.200 -3.228
103 HG22 ILE 10 HG22 ILE 10 -6.663 -2.788 -3.476
104 HG23 ILE 10 HG23 ILE 10 -6.685 -3.662 -1.932
105 HD11 ILE 10 HD11 ILE 10 -2.329 -2.748 -4.564
106 HD12 ILE 10 HD12 ILE 10 -2.474 -3.463 -2.947
107 HD13 ILE 10 HD13 ILE 10 -3.544 -4.000 -4.266
108 H LEU 11 H LEU 11 -5.450 -1.166 1.118
109 HA LEU 11 HA LEU 11 -8.121 -2.065 1.573
110 HB2 LEU 11 HB1 LEU 11 -7.583 -2.153 3.681
111 HB3 LEU 11 HB2 LEU 11 -5.964 -1.768 3.199
112 HG LEU 11 HG LEU 11 -7.399 0.748 3.766
113 HD11 LEU 11 HD21 LEU 11 -8.907 -0.638 5.177
114 HD12 LEU 11 HD22 LEU 11 -7.878 0.439 6.129
115 HD13 LEU 11 HD23 LEU 11 -7.482 -1.291 6.028
116 HD21 LEU 11 HD11 LEU 11 -5.144 -0.711 5.160
117 HD22 LEU 11 HD12 LEU 11 -5.048 0.583 3.931
118 HD23 LEU 11 HD13 LEU 11 -5.687 0.945 5.521
119 H LYS 12 H LYS 12 -7.147 1.021 0.575
120 HA LYS 12 HA LYS 12 -7.860 2.852 2.153
121 HB2 LYS 12 HB1 LYS 12 -8.153 4.457 0.497
122 HB3 LYS 12 HB2 LYS 12 -7.076 3.266 -0.138
123 HG2 LYS 12 HG1 LYS 12 -9.828 4.047 -1.001
124 HG3 LYS 12 HG2 LYS 12 -8.376 3.922 -1.952
125 HD2 LYS 12 HD1 LYS 12 -9.986 1.511 -0.983
126 HD3 LYS 12 HD2 LYS 12 -10.229 2.350 -2.515
127 HE2 LYS 12 HE1 LYS 12 -7.832 1.863 -3.118
128 HE3 LYS 12 HE2 LYS 12 -7.731 0.871 -1.663
129 HZ1 LYS 12 HZ1 LYS 12 -9.729 0.378 -3.789
130 HZ2 LYS 12 HZ2 LYS 12 -8.286 -0.413 -3.683
131 HZ3 LYS 12 HZ3 LYS 12 -9.374 -0.582 -2.484
Start of MODEL 15
1 H1 VAL 1 H VAL 1 12.175 -1.790 -4.068
2 HA VAL 1 HA VAL 1 10.974 -2.473 -1.967
3 HB VAL 1 HB VAL 1 10.350 -0.339 -0.557
4 HG11 VAL 1 HG21 VAL 1 11.442 -2.274 0.395
5 HG12 VAL 1 HG22 VAL 1 12.210 -0.797 1.006
6 HG13 VAL 1 HG23 VAL 1 13.014 -1.754 -0.258
7 HG21 VAL 1 HG11 VAL 1 12.071 1.317 -0.249
8 HG22 VAL 1 HG12 VAL 1 11.709 1.301 -1.988
9 HG23 VAL 1 HG13 VAL 1 13.159 0.492 -1.379
10 H ARG 2 H ARG 2 10.012 0.885 -2.444
11 HA ARG 2 HA ARG 2 7.832 1.549 -2.780
12 HB2 ARG 2 HB1 ARG 2 8.924 0.783 -5.461
13 HB3 ARG 2 HB2 ARG 2 7.200 1.087 -5.374
14 HG2 ARG 2 HG1 ARG 2 8.148 3.155 -5.924
15 HG3 ARG 2 HG2 ARG 2 7.596 3.270 -4.266
16 HD2 ARG 2 HD1 ARG 2 9.626 4.011 -3.648
17 HD3 ARG 2 HD2 ARG 2 10.315 2.451 -4.075
18 HE ARG 2 HE ARG 2 11.186 3.320 -6.021
19 HH11 ARG 2 HH12 ARG 2 9.067 5.776 -4.688
20 HH12 ARG 2 HH11 ARG 2 9.462 6.922 -5.933
21 HH21 ARG 2 HH22 ARG 2 11.630 4.838 -7.594
22 HH22 ARG 2 HH21 ARG 2 10.864 6.391 -7.538
23 H ARG 3 H ARG 3 7.974 -0.941 -1.549
24 HA ARG 3 HA ARG 3 5.235 -1.861 -2.209
25 HB2 ARG 3 HB1 ARG 3 7.351 -3.504 -1.911
26 HB3 ARG 3 HB2 ARG 3 6.844 -3.438 -0.224
27 HG2 ARG 3 HG1 ARG 3 5.584 -5.245 -1.105
28 HG3 ARG 3 HG2 ARG 3 4.456 -3.882 -1.212
29 HD2 ARG 3 HD1 ARG 3 5.187 -3.574 -3.626
30 HD3 ARG 3 HD2 ARG 3 6.059 -5.113 -3.470
31 HE ARG 3 HE ARG 3 3.380 -5.520 -2.594
32 HH11 ARG 3 HH12 ARG 3 5.030 -5.004 -5.652
33 HH12 ARG 3 HH11 ARG 3 3.773 -5.792 -6.555
34 HH21 ARG 3 HH22 ARG 3 1.798 -6.492 -3.838
35 HH22 ARG 3 HH21 ARG 3 1.999 -6.579 -5.556
36 H PHE 4 H PHE 4 5.409 -2.566 0.973
37 HA PHE 4 HA PHE 4 3.040 -1.260 0.965
38 HB2 PHE 4 HB1 PHE 4 4.541 -2.446 3.283
39 HB3 PHE 4 HB2 PHE 4 2.835 -1.998 3.354
40 HD1 PHE 4 HD1 PHE 4 2.872 -3.217 0.120
41 HD2 PHE 4 HD2 PHE 4 3.363 -4.532 4.204
42 HE1 PHE 4 HE1 PHE 4 2.512 -5.565 -0.571
43 HE2 PHE 4 HE2 PHE 4 2.890 -6.861 3.500
44 HZ PHE 4 HZ PHE 4 2.527 -7.389 1.104
45 H ASP 5 H ASP 5 3.670 1.519 0.729
46 HA ASP 5 HA ASP 5 1.390 0.956 2.547
47 HB2 ASP 5 HB1 ASP 5 0.797 3.300 2.542
48 HB3 ASP 5 HB2 ASP 5 2.377 3.009 3.224
49 H LEU 6 H LEU 6 2.358 0.702 -0.637
50 HA LEU 6 HA LEU 6 -0.127 1.293 -1.783
51 HB2 LEU 6 HB1 LEU 6 0.692 0.784 -3.771
52 HB3 LEU 6 HB2 LEU 6 2.132 1.123 -2.833
53 HG LEU 6 HG LEU 6 2.838 -0.585 -4.088
54 HD11 LEU 6 HD21 LEU 6 3.008 -1.284 -1.672
55 HD12 LEU 6 HD22 LEU 6 3.145 -2.557 -2.904
56 HD13 LEU 6 HD23 LEU 6 1.648 -2.394 -1.972
57 HD21 LEU 6 HD11 LEU 6 1.665 -2.483 -4.951
58 HD22 LEU 6 HD12 LEU 6 0.223 -2.114 -3.979
59 HD23 LEU 6 HD13 LEU 6 0.735 -1.026 -5.283
60 H LEU 7 H LEU 7 0.033 -1.302 0.279
61 HA LEU 7 HA LEU 7 -2.457 -2.328 -1.030
62 HB2 LEU 7 HB1 LEU 7 -1.411 -3.736 1.348
63 HB3 LEU 7 HB2 LEU 7 -2.524 -4.257 0.090
64 HG LEU 7 HG LEU 7 0.475 -3.963 -0.128
65 HD11 LEU 7 HD21 LEU 7 -1.376 -6.394 -0.199
66 HD12 LEU 7 HD22 LEU 7 0.389 -6.441 -0.257
67 HD13 LEU 7 HD23 LEU 7 -0.429 -5.872 1.203
68 HD21 LEU 7 HD11 LEU 7 -1.158 -5.299 -2.286
69 HD22 LEU 7 HD12 LEU 7 0.522 -4.755 -2.322
70 HD23 LEU 7 HD13 LEU 7 -0.784 -3.567 -2.374
71 H LYS 8 H LYS 8 -1.349 -0.392 1.654
72 HA LYS 8 HA LYS 8 -4.169 0.088 2.370
73 HB2 LYS 8 HB1 LYS 8 -3.311 2.067 3.671
74 HB3 LYS 8 HB2 LYS 8 -3.115 0.457 4.306
75 HG2 LYS 8 HG1 LYS 8 -0.774 1.725 2.917
76 HG3 LYS 8 HG2 LYS 8 -1.233 2.325 4.480
77 HD2 LYS 8 HD1 LYS 8 -1.142 -0.145 5.277
78 HD3 LYS 8 HD2 LYS 8 -0.386 -0.501 3.737
79 HE2 LYS 8 HE1 LYS 8 0.922 -0.038 6.052
80 HE3 LYS 8 HE2 LYS 8 1.647 0.101 4.464
81 HZ1 LYS 8 HZ1 LYS 8 2.176 1.985 5.793
82 HZ2 LYS 8 HZ2 LYS 8 1.274 2.495 4.547
83 HZ3 LYS 8 HZ3 LYS 8 0.604 2.379 6.051
84 H ARG 9 H ARG 9 -2.508 0.697 -0.330
85 HA ARG 9 HA ARG 9 -4.493 2.801 -1.087
86 HB2 ARG 9 HB1 ARG 9 -2.331 3.218 -1.941
87 HB3 ARG 9 HB2 ARG 9 -2.141 1.576 -2.563
88 HG2 ARG 9 HG1 ARG 9 -3.700 1.889 -4.314
89 HG3 ARG 9 HG2 ARG 9 -4.297 3.402 -3.618
90 HD2 ARG 9 HD1 ARG 9 -1.543 2.897 -4.851
91 HD3 ARG 9 HD2 ARG 9 -2.861 3.805 -5.585
92 HE ARG 9 HE ARG 9 -0.903 4.772 -3.728
93 HH11 ARG 9 HH11 ARG 9 -4.329 5.221 -4.262
94 HH12 ARG 9 HH12 ARG 9 -4.293 6.873 -3.721
95 HH21 ARG 9 HH21 ARG 9 -0.903 6.933 -3.176
96 HH22 ARG 9 HH22 ARG 9 -2.398 7.813 -3.150
97 H ILE 10 H ILE 10 -3.982 -0.699 -1.516
98 HA ILE 10 HA ILE 10 -6.320 -0.981 -3.234
99 HB ILE 10 HB ILE 10 -4.847 -3.024 -1.543
100 HG12 ILE 10 HG13 ILE 10 -4.765 -2.627 -4.577
101 HG13 ILE 10 HG12 ILE 10 -3.583 -1.916 -3.487
102 HG21 ILE 10 HG21 ILE 10 -5.995 -4.743 -2.928
103 HG22 ILE 10 HG22 ILE 10 -7.154 -3.816 -1.989
104 HG23 ILE 10 HG23 ILE 10 -6.949 -3.474 -3.714
105 HD11 ILE 10 HD11 ILE 10 -2.523 -3.856 -4.196
106 HD12 ILE 10 HD12 ILE 10 -3.180 -4.314 -2.609
107 HD13 ILE 10 HD13 ILE 10 -3.991 -4.843 -4.096
108 H LEU 11 H LEU 11 -5.833 -1.139 0.314
109 HA LEU 11 HA LEU 11 -8.651 -1.629 0.777
110 HB2 LEU 11 HB1 LEU 11 -7.948 -2.379 2.710
111 HB3 LEU 11 HB2 LEU 11 -6.330 -2.084 2.176
112 HG LEU 11 HG LEU 11 -7.045 0.404 3.271
113 HD11 LEU 11 HD21 LEU 11 -9.158 -0.594 4.174
114 HD12 LEU 11 HD22 LEU 11 -8.061 -0.074 5.462
115 HD13 LEU 11 HD23 LEU 11 -8.201 -1.796 5.042
116 HD21 LEU 11 HD11 LEU 11 -5.905 -1.403 5.289
117 HD22 LEU 11 HD12 LEU 11 -5.031 -1.398 3.758
118 HD23 LEU 11 HD13 LEU 11 -5.334 0.128 4.614
119 H LYS 12 H LYS 12 -7.105 1.326 0.080
120 HA LYS 12 HA LYS 12 -9.596 2.679 0.515
121 HB2 LYS 12 HB1 LYS 12 -9.044 4.473 1.900
122 HB3 LYS 12 HB2 LYS 12 -8.692 3.013 2.783
123 HG2 LYS 12 HG1 LYS 12 -6.289 4.127 1.466
124 HG3 LYS 12 HG2 LYS 12 -7.087 5.303 2.471
125 HD2 LYS 12 HD1 LYS 12 -6.201 2.562 3.447
126 HD3 LYS 12 HD2 LYS 12 -5.252 4.049 3.565
127 HE2 LYS 12 HE1 LYS 12 -7.134 5.096 4.873
128 HE3 LYS 12 HE2 LYS 12 -7.953 3.528 4.883
129 HZ1 LYS 12 HZ1 LYS 12 -6.642 3.914 6.900
130 HZ2 LYS 12 HZ2 LYS 12 -6.070 2.610 6.087
131 HZ3 LYS 12 HZ3 LYS 12 -5.262 4.048 6.024
Start of MODEL 16
1 H1 VAL 1 H VAL 1 11.039 -1.785 -6.047
2 HA VAL 1 HA VAL 1 10.910 -2.845 -3.323
3 HB VAL 1 HB VAL 1 13.311 -2.112 -3.792
4 HG11 VAL 1 HG21 VAL 1 12.757 0.140 -4.730
5 HG12 VAL 1 HG22 VAL 1 13.832 0.227 -3.326
6 HG13 VAL 1 HG23 VAL 1 12.122 0.632 -3.138
7 HG21 VAL 1 HG11 VAL 1 12.418 -2.728 -1.555
8 HG22 VAL 1 HG12 VAL 1 13.643 -1.454 -1.480
9 HG23 VAL 1 HG13 VAL 1 11.937 -1.037 -1.291
10 H ARG 2 H ARG 2 9.760 -0.420 -5.470
11 HA ARG 2 HA ARG 2 8.344 1.199 -3.540
12 HB2 ARG 2 HB1 ARG 2 8.606 2.044 -5.771
13 HB3 ARG 2 HB2 ARG 2 7.872 0.610 -6.478
14 HG2 ARG 2 HG1 ARG 2 6.369 2.532 -6.603
15 HG3 ARG 2 HG2 ARG 2 5.663 1.234 -5.667
16 HD2 ARG 2 HD1 ARG 2 6.426 2.493 -3.557
17 HD3 ARG 2 HD2 ARG 2 6.813 3.856 -4.632
18 HE ARG 2 HE ARG 2 4.262 3.389 -5.341
19 HH11 ARG 2 HH12 ARG 2 5.557 3.803 -2.073
20 HH12 ARG 2 HH11 ARG 2 4.030 3.908 -1.320
21 HH21 ARG 2 HH22 ARG 2 2.352 4.021 -4.434
22 HH22 ARG 2 HH21 ARG 2 2.294 4.355 -2.715
23 H ARG 3 H ARG 3 7.747 -0.326 -2.029
24 HA ARG 3 HA ARG 3 5.104 -1.490 -2.477
25 HB2 ARG 3 HB1 ARG 3 7.307 -3.107 -2.938
26 HB3 ARG 3 HB2 ARG 3 6.992 -3.510 -1.242
27 HG2 ARG 3 HG1 ARG 3 4.636 -3.983 -1.842
28 HG3 ARG 3 HG2 ARG 3 4.895 -3.363 -3.480
29 HD2 ARG 3 HD1 ARG 3 4.541 -5.861 -3.098
30 HD3 ARG 3 HD2 ARG 3 5.545 -5.184 -4.366
31 HE ARG 3 HE ARG 3 7.274 -6.369 -3.596
32 HH11 ARG 3 HH12 ARG 3 5.266 -6.239 -0.765
33 HH12 ARG 3 HH11 ARG 3 6.587 -6.601 0.304
34 HH21 ARG 3 HH22 ARG 3 8.916 -6.777 -2.230
35 HH22 ARG 3 HH21 ARG 3 8.666 -6.806 -0.511
36 H PHE 4 H PHE 4 5.807 -2.816 0.369
37 HA PHE 4 HA PHE 4 3.453 -1.818 1.009
38 HB2 PHE 4 HB1 PHE 4 5.458 -3.328 2.588
39 HB3 PHE 4 HB2 PHE 4 3.940 -2.941 3.329
40 HD1 PHE 4 HD2 PHE 4 3.231 -3.478 -0.179
41 HD2 PHE 4 HD1 PHE 4 4.044 -5.477 3.556
42 HE1 PHE 4 HE2 PHE 4 2.353 -5.579 -1.115
43 HE2 PHE 4 HE1 PHE 4 3.034 -7.550 2.641
44 HZ PHE 4 HZ PHE 4 2.248 -7.622 0.285
45 H ASP 5 H ASP 5 4.586 0.993 1.079
46 HA ASP 5 HA ASP 5 1.933 0.981 2.513
47 HB2 ASP 5 HB1 ASP 5 1.838 3.360 2.524
48 HB3 ASP 5 HB2 ASP 5 3.212 2.759 3.399
49 H LEU 6 H LEU 6 2.423 -0.259 -0.179
50 HA LEU 6 HA LEU 6 0.485 1.420 -1.710
51 HB2 LEU 6 HB1 LEU 6 1.428 0.923 -3.602
52 HB3 LEU 6 HB2 LEU 6 2.813 0.683 -2.546
53 HG LEU 6 HG LEU 6 3.003 -1.003 -4.043
54 HD11 LEU 6 HD21 LEU 6 1.326 -2.590 -2.074
55 HD12 LEU 6 HD22 LEU 6 2.769 -3.052 -2.988
56 HD13 LEU 6 HD23 LEU 6 2.918 -1.870 -1.642
57 HD21 LEU 6 HD11 LEU 6 1.377 -2.368 -5.074
58 HD22 LEU 6 HD12 LEU 6 0.095 -1.908 -3.918
59 HD23 LEU 6 HD13 LEU 6 0.707 -0.714 -5.102
60 H LEU 7 H LEU 7 0.252 -1.297 0.166
61 HA LEU 7 HA LEU 7 -2.453 -1.867 -1.004
62 HB2 LEU 7 HB1 LEU 7 -2.447 -3.959 0.246
63 HB3 LEU 7 HB2 LEU 7 -1.347 -3.866 -1.106
64 HG LEU 7 HG LEU 7 0.444 -4.356 0.071
65 HD11 LEU 7 HD21 LEU 7 1.020 -3.711 2.404
66 HD12 LEU 7 HD22 LEU 7 -0.500 -2.803 2.504
67 HD13 LEU 7 HD23 LEU 7 0.804 -2.306 1.392
68 HD21 LEU 7 HD11 LEU 7 -1.579 -4.997 2.263
69 HD22 LEU 7 HD12 LEU 7 -1.285 -5.999 0.822
70 HD23 LEU 7 HD13 LEU 7 0.005 -5.786 2.022
71 H LYS 8 H LYS 8 -0.926 -0.378 1.650
72 HA LYS 8 HA LYS 8 -3.618 0.024 2.879
73 HB2 LYS 8 HB1 LYS 8 -1.104 1.468 3.665
74 HB3 LYS 8 HB2 LYS 8 -2.616 1.363 4.522
75 HG2 LYS 8 HG1 LYS 8 -0.236 -0.309 4.634
76 HG3 LYS 8 HG2 LYS 8 -1.409 0.008 5.864
77 HD2 LYS 8 HD1 LYS 8 -2.369 -2.014 3.918
78 HD3 LYS 8 HD2 LYS 8 -0.789 -2.382 4.607
79 HE2 LYS 8 HE1 LYS 8 -1.708 -2.229 6.894
80 HE3 LYS 8 HE2 LYS 8 -3.317 -1.951 6.220
81 HZ1 LYS 8 HZ1 LYS 8 -3.041 -4.281 6.714
82 HZ2 LYS 8 HZ2 LYS 8 -1.654 -4.392 5.858
83 HZ3 LYS 8 HZ3 LYS 8 -3.087 -4.145 5.084
84 H ARG 9 H ARG 9 -2.105 0.900 0.078
85 HA ARG 9 HA ARG 9 -3.893 3.279 -0.232
86 HB2 ARG 9 HB1 ARG 9 -2.137 1.943 -2.332
87 HB3 ARG 9 HB2 ARG 9 -3.159 3.328 -2.610
88 HG2 ARG 9 HG1 ARG 9 -1.008 3.351 -0.501
89 HG3 ARG 9 HG2 ARG 9 -0.607 3.696 -2.181
90 HD2 ARG 9 HD1 ARG 9 -1.796 5.715 -2.166
91 HD3 ARG 9 HD2 ARG 9 -2.791 5.257 -0.778
92 HE ARG 9 HE ARG 9 -0.137 6.478 -0.714
93 HH11 ARG 9 HH12 ARG 9 -2.399 4.611 1.245
94 HH12 ARG 9 HH11 ARG 9 -1.615 5.082 2.714
95 HH21 ARG 9 HH22 ARG 9 0.889 6.898 1.235
96 HH22 ARG 9 HH21 ARG 9 0.264 6.221 2.688
97 H ILE 10 H ILE 10 -3.564 -0.036 -1.658
98 HA ILE 10 HA ILE 10 -6.083 -0.100 -2.782
99 HB ILE 10 HB ILE 10 -4.588 -2.452 -1.584
100 HG12 ILE 10 HG13 ILE 10 -4.716 -1.679 -4.539
101 HG13 ILE 10 HG12 ILE 10 -3.524 -0.940 -3.488
102 HG21 ILE 10 HG21 ILE 10 -5.874 -3.851 -3.188
103 HG22 ILE 10 HG22 ILE 10 -6.825 -2.433 -3.673
104 HG23 ILE 10 HG23 ILE 10 -6.953 -3.079 -2.023
105 HD11 ILE 10 HD11 ILE 10 -2.377 -2.722 -4.466
106 HD12 ILE 10 HD12 ILE 10 -2.784 -3.330 -2.851
107 HD13 ILE 10 HD13 ILE 10 -3.728 -3.854 -4.265
108 H LEU 11 H LEU 11 -5.498 -1.005 0.691
109 HA LEU 11 HA LEU 11 -8.298 -1.576 1.085
110 HB2 LEU 11 HB1 LEU 11 -7.649 -2.551 2.928
111 HB3 LEU 11 HB2 LEU 11 -6.036 -2.279 2.383
112 HG LEU 11 HG LEU 11 -6.613 0.066 3.875
113 HD11 LEU 11 HD21 LEU 11 -8.696 -1.042 4.740
114 HD12 LEU 11 HD22 LEU 11 -7.510 -0.782 6.024
115 HD13 LEU 11 HD23 LEU 11 -7.727 -2.401 5.318
116 HD21 LEU 11 HD11 LEU 11 -5.437 -2.127 5.484
117 HD22 LEU 11 HD12 LEU 11 -4.846 -0.499 5.111
118 HD23 LEU 11 HD13 LEU 11 -4.624 -1.813 3.934
119 H LYS 12 H LYS 12 -7.059 1.438 0.563
120 HA LYS 12 HA LYS 12 -7.639 3.580 1.121
121 HB2 LYS 12 HB1 LYS 12 -10.342 2.795 2.173
122 HB3 LYS 12 HB2 LYS 12 -9.900 4.168 1.190
123 HG2 LYS 12 HG1 LYS 12 -10.087 1.319 0.056
124 HG3 LYS 12 HG2 LYS 12 -11.462 2.394 0.234
125 HD2 LYS 12 HD1 LYS 12 -10.313 4.060 -1.287
126 HD3 LYS 12 HD2 LYS 12 -9.041 2.852 -1.554
127 HE2 LYS 12 HE1 LYS 12 -10.684 2.821 -3.385
128 HE3 LYS 12 HE2 LYS 12 -10.656 1.283 -2.524
129 HZ1 LYS 12 HZ1 LYS 12 -12.926 2.002 -2.960
130 HZ2 LYS 12 HZ2 LYS 12 -12.664 1.992 -1.341
131 HZ3 LYS 12 HZ3 LYS 12 -12.697 3.415 -2.159
Start of MODEL 17
1 H1 VAL 1 H VAL 1 11.366 -1.430 -5.768
2 HA VAL 1 HA VAL 1 11.108 -3.229 -3.733
3 HB VAL 1 HB VAL 1 11.566 -1.618 -1.641
4 HG11 VAL 1 HG21 VAL 1 12.408 -3.857 -1.810
5 HG12 VAL 1 HG22 VAL 1 13.726 -2.787 -1.312
6 HG13 VAL 1 HG23 VAL 1 13.643 -3.359 -2.994
7 HG21 VAL 1 HG11 VAL 1 13.679 -0.427 -1.767
8 HG22 VAL 1 HG12 VAL 1 12.536 0.277 -2.925
9 HG23 VAL 1 HG13 VAL 1 13.841 -0.799 -3.487
10 H ARG 2 H ARG 2 10.435 -0.020 -4.795
11 HA ARG 2 HA ARG 2 8.730 1.285 -3.315
12 HB2 ARG 2 HB1 ARG 2 9.447 2.040 -5.401
13 HB3 ARG 2 HB2 ARG 2 8.662 0.738 -6.274
14 HG2 ARG 2 HG1 ARG 2 7.716 3.010 -6.604
15 HG3 ARG 2 HG2 ARG 2 6.575 1.740 -6.222
16 HD2 ARG 2 HD1 ARG 2 6.620 2.613 -3.797
17 HD3 ARG 2 HD2 ARG 2 7.504 4.012 -4.428
18 HE ARG 2 HE ARG 2 5.601 4.402 -5.975
19 HH11 ARG 2 HH11 ARG 2 4.871 2.804 -2.953
20 HH12 ARG 2 HH12 ARG 2 3.180 3.053 -3.126
21 HH21 ARG 2 HH21 ARG 2 3.436 4.374 -6.300
22 HH22 ARG 2 HH22 ARG 2 2.376 3.630 -5.141
23 H ARG 3 H ARG 3 7.916 -0.312 -1.953
24 HA ARG 3 HA ARG 3 5.046 -0.865 -2.180
25 HB2 ARG 3 HB1 ARG 3 6.093 -2.772 -3.198
26 HB3 ARG 3 HB2 ARG 3 7.203 -2.985 -1.854
27 HG2 ARG 3 HG1 ARG 3 5.545 -3.839 -0.431
28 HG3 ARG 3 HG2 ARG 3 4.230 -3.563 -1.568
29 HD2 ARG 3 HD1 ARG 3 6.396 -5.143 -2.834
30 HD3 ARG 3 HD2 ARG 3 5.967 -5.814 -1.274
31 HE ARG 3 HE ARG 3 4.260 -6.849 -2.213
32 HH11 ARG 3 HH11 ARG 3 4.522 -4.059 -4.276
33 HH12 ARG 3 HH12 ARG 3 3.141 -4.531 -5.234
34 HH21 ARG 3 HH21 ARG 3 2.733 -7.520 -3.615
35 HH22 ARG 3 HH22 ARG 3 2.148 -6.450 -4.842
36 H PHE 4 H PHE 4 6.395 -2.418 0.551
37 HA PHE 4 HA PHE 4 4.134 -1.305 1.162
38 HB2 PHE 4 HB1 PHE 4 5.801 -3.210 2.634
39 HB3 PHE 4 HB2 PHE 4 4.377 -2.671 3.472
40 HD1 PHE 4 HD2 PHE 4 2.452 -2.318 1.120
41 HD2 PHE 4 HD1 PHE 4 5.136 -5.500 2.224
42 HE1 PHE 4 HE2 PHE 4 1.287 -3.824 -0.428
43 HE2 PHE 4 HE1 PHE 4 3.790 -7.068 0.841
44 HZ PHE 4 HZ PHE 4 1.911 -6.217 -0.554
45 H ASP 5 H ASP 5 4.710 1.424 1.454
46 HA ASP 5 HA ASP 5 2.405 0.825 3.143
47 HB2 ASP 5 HB1 ASP 5 2.057 3.268 3.241
48 HB3 ASP 5 HB2 ASP 5 3.617 2.674 3.853
49 H LEU 6 H LEU 6 2.642 0.026 0.148
50 HA LEU 6 HA LEU 6 0.071 1.278 -0.621
51 HB2 LEU 6 HB1 LEU 6 0.628 1.384 -2.711
52 HB3 LEU 6 HB2 LEU 6 2.190 1.471 -1.939
53 HG LEU 6 HG LEU 6 2.761 0.229 -3.645
54 HD11 LEU 6 HD21 LEU 6 1.646 -2.270 -2.403
55 HD12 LEU 6 HD22 LEU 6 3.193 -1.952 -3.175
56 HD13 LEU 6 HD23 LEU 6 2.894 -1.316 -1.541
57 HD21 LEU 6 HD11 LEU 6 1.459 -1.214 -5.049
58 HD22 LEU 6 HD12 LEU 6 0.596 0.304 -4.793
59 HD23 LEU 6 HD13 LEU 6 0.087 -1.154 -3.910
60 H LEU 7 H LEU 7 0.357 -1.548 0.910
61 HA LEU 7 HA LEU 7 -2.134 -2.435 -0.442
62 HB2 LEU 7 HB1 LEU 7 -2.344 -4.284 0.668
63 HB3 LEU 7 HB2 LEU 7 -0.649 -4.188 0.313
64 HG LEU 7 HG LEU 7 -2.147 -4.244 2.937
65 HD11 LEU 7 HD21 LEU 7 -0.582 -6.058 3.332
66 HD12 LEU 7 HD22 LEU 7 0.395 -5.566 1.931
67 HD13 LEU 7 HD23 LEU 7 -1.241 -6.244 1.706
68 HD21 LEU 7 HD11 LEU 7 -0.837 -2.689 3.891
69 HD22 LEU 7 HD12 LEU 7 0.411 -3.934 3.846
70 HD23 LEU 7 HD13 LEU 7 0.389 -2.705 2.570
71 H LYS 8 H LYS 8 -1.182 -0.799 2.673
72 HA LYS 8 HA LYS 8 -3.845 0.158 3.041
73 HB2 LYS 8 HB1 LYS 8 -2.856 2.003 4.337
74 HB3 LYS 8 HB2 LYS 8 -2.625 0.381 4.910
75 HG2 LYS 8 HG1 LYS 8 -0.424 1.922 3.535
76 HG3 LYS 8 HG2 LYS 8 -0.779 2.066 5.218
77 HD2 LYS 8 HD1 LYS 8 -0.450 -0.563 5.277
78 HD3 LYS 8 HD2 LYS 8 0.499 -0.247 3.800
79 HE2 LYS 8 HE1 LYS 8 1.709 1.583 5.177
80 HE3 LYS 8 HE2 LYS 8 0.861 0.959 6.585
81 HZ1 LYS 8 HZ1 LYS 8 2.011 -1.237 6.085
82 HZ2 LYS 8 HZ2 LYS 8 2.970 -0.413 5.012
83 HZ3 LYS 8 HZ3 LYS 8 2.973 -0.012 6.574
84 H ARG 9 H ARG 9 -2.225 0.586 0.277
85 HA ARG 9 HA ARG 9 -4.050 2.812 -0.533
86 HB2 ARG 9 HB1 ARG 9 -1.593 3.087 -1.004
87 HB3 ARG 9 HB2 ARG 9 -1.706 1.689 -2.059
88 HG2 ARG 9 HG1 ARG 9 -1.789 3.287 -3.597
89 HG3 ARG 9 HG2 ARG 9 -3.522 3.099 -3.346
90 HD2 ARG 9 HD1 ARG 9 -3.616 5.145 -2.054
91 HD3 ARG 9 HD2 ARG 9 -1.861 5.233 -1.920
92 HE ARG 9 HE ARG 9 -3.506 5.789 -4.342
93 HH11 ARG 9 HH11 ARG 9 -0.391 6.130 -2.812
94 HH12 ARG 9 HH12 ARG 9 0.275 7.018 -4.144
95 HH21 ARG 9 HH21 ARG 9 -2.553 6.871 -6.063
96 HH22 ARG 9 HH22 ARG 9 -0.895 7.356 -5.965
97 H ILE 10 H ILE 10 -3.389 -0.692 -1.395
98 HA ILE 10 HA ILE 10 -5.677 -0.760 -3.242
99 HB ILE 10 HB ILE 10 -5.598 -3.019 -3.377
100 HG12 ILE 10 HG13 ILE 10 -4.314 -3.240 -0.687
101 HG13 ILE 10 HG12 ILE 10 -5.823 -3.923 -1.282
102 HG21 ILE 10 HG21 ILE 10 -3.578 -1.835 -4.309
103 HG22 ILE 10 HG22 ILE 10 -2.660 -2.516 -2.933
104 HG23 ILE 10 HG23 ILE 10 -3.476 -3.583 -4.100
105 HD11 ILE 10 HD11 ILE 10 -4.592 -5.473 -2.739
106 HD12 ILE 10 HD12 ILE 10 -3.044 -4.865 -2.092
107 HD13 ILE 10 HD13 ILE 10 -4.189 -5.688 -1.025
108 H LEU 11 H LEU 11 -5.342 -0.944 0.231
109 HA LEU 11 HA LEU 11 -8.068 -1.826 0.756
110 HB2 LEU 11 HB1 LEU 11 -5.992 -2.123 2.191
111 HB3 LEU 11 HB2 LEU 11 -6.080 -0.425 2.607
112 HG LEU 11 HG LEU 11 -6.891 -1.824 4.379
113 HD11 LEU 11 HD21 LEU 11 -7.952 0.388 4.066
114 HD12 LEU 11 HD22 LEU 11 -9.019 -0.796 4.857
115 HD13 LEU 11 HD23 LEU 11 -9.273 -0.412 3.167
116 HD21 LEU 11 HD11 LEU 11 -8.765 -3.276 4.306
117 HD22 LEU 11 HD12 LEU 11 -7.700 -3.757 2.981
118 HD23 LEU 11 HD13 LEU 11 -9.176 -2.816 2.644
119 H LYS 12 H LYS 12 -6.432 1.227 0.293
120 HA LYS 12 HA LYS 12 -7.081 3.342 -0.088
121 HB2 LYS 12 HB1 LYS 12 -8.456 3.689 -1.851
122 HB3 LYS 12 HB2 LYS 12 -8.093 2.003 -2.086
123 HG2 LYS 12 HG1 LYS 12 -10.578 2.466 -0.510
124 HG3 LYS 12 HG2 LYS 12 -10.615 3.219 -2.087
125 HD2 LYS 12 HD1 LYS 12 -9.796 0.312 -1.791
126 HD3 LYS 12 HD2 LYS 12 -11.486 0.742 -1.702
127 HE2 LYS 12 HE1 LYS 12 -9.634 1.292 -4.075
128 HE3 LYS 12 HE2 LYS 12 -10.757 -0.061 -3.926
129 HZ1 LYS 12 HZ1 LYS 12 -11.774 1.612 -5.241
130 HZ2 LYS 12 HZ2 LYS 12 -12.578 1.559 -3.818
131 HZ3 LYS 12 HZ3 LYS 12 -11.531 2.795 -4.126
Start of MODEL 18
1 H1 VAL 1 H VAL 1 12.904 -1.596 -1.371
2 HA VAL 1 HA VAL 1 11.734 0.381 -2.875
3 HB VAL 1 HB VAL 1 13.670 -0.849 -3.547
4 HG11 VAL 1 HG21 VAL 1 12.927 -3.191 -3.109
5 HG12 VAL 1 HG22 VAL 1 13.648 -2.942 -4.704
6 HG13 VAL 1 HG23 VAL 1 11.891 -3.099 -4.553
7 HG21 VAL 1 HG11 VAL 1 13.265 -0.802 -5.941
8 HG22 VAL 1 HG12 VAL 1 12.451 0.561 -5.153
9 HG23 VAL 1 HG13 VAL 1 11.516 -0.859 -5.689
10 H ARG 2 H ARG 2 9.693 0.356 -1.775
11 HA ARG 2 HA ARG 2 7.530 0.829 -2.240
12 HB2 ARG 2 HB1 ARG 2 8.796 1.361 -4.395
13 HB3 ARG 2 HB2 ARG 2 8.062 -0.079 -5.066
14 HG2 ARG 2 HG1 ARG 2 6.295 1.119 -5.647
15 HG3 ARG 2 HG2 ARG 2 5.862 1.320 -3.955
16 HD2 ARG 2 HD1 ARG 2 6.611 3.456 -3.812
17 HD3 ARG 2 HD2 ARG 2 7.945 3.226 -4.936
18 HE ARG 2 HE ARG 2 5.296 4.160 -5.580
19 HH11 ARG 2 HH11 ARG 2 7.954 2.345 -6.958
20 HH12 ARG 2 HH12 ARG 2 7.586 2.817 -8.589
21 HH21 ARG 2 HH21 ARG 2 4.904 4.789 -7.715
22 HH22 ARG 2 HH22 ARG 2 5.894 4.158 -8.994
23 H ARG 3 H ARG 3 7.629 -1.539 -0.994
24 HA ARG 3 HA ARG 3 4.815 -1.249 -1.068
25 HB2 ARG 3 HB2 ARG 3 3.913 -3.323 -1.152
26 HB3 ARG 3 HB1 ARG 3 5.029 -3.421 -2.456
27 HG2 ARG 3 HG1 ARG 3 5.685 -4.592 0.274
28 HG3 ARG 3 HG2 ARG 3 4.594 -5.397 -0.822
29 HD2 ARG 3 HD1 ARG 3 6.433 -5.497 -2.517
30 HD3 ARG 3 HD2 ARG 3 7.543 -4.855 -1.299
31 HE ARG 3 HE ARG 3 6.447 -7.552 -1.500
32 HH11 ARG 3 HH11 ARG 3 7.785 -5.350 0.878
33 HH12 ARG 3 HH12 ARG 3 8.118 -6.635 2.007
34 HH21 ARG 3 HH21 ARG 3 6.911 -9.143 0.002
35 HH22 ARG 3 HH22 ARG 3 7.607 -8.709 1.526
36 H PHE 4 H PHE 4 5.931 -0.839 2.185
37 HA PHE 4 HA PHE 4 3.291 -1.537 1.162
38 HB2 PHE 4 HB1 PHE 4 4.798 -2.180 3.607
39 HB3 PHE 4 HB2 PHE 4 3.177 -1.681 3.957
40 HD1 PHE 4 HD2 PHE 4 5.200 -4.292 2.390
41 HD2 PHE 4 HD1 PHE 4 1.229 -2.903 3.284
42 HE1 PHE 4 HE2 PHE 4 4.269 -6.520 1.757
43 HE2 PHE 4 HE1 PHE 4 0.304 -5.125 2.675
44 HZ PHE 4 HZ PHE 4 1.822 -6.928 1.895
45 H ASP 5 H ASP 5 3.516 1.076 0.431
46 HA ASP 5 HA ASP 5 1.192 1.830 2.136
47 HB2 ASP 5 HB1 ASP 5 1.571 4.109 1.532
48 HB3 ASP 5 HB2 ASP 5 2.978 3.393 2.335
49 H LEU 6 H LEU 6 2.312 2.046 -1.265
50 HA LEU 6 HA LEU 6 -0.166 2.122 -2.513
51 HB2 LEU 6 HB1 LEU 6 0.762 0.900 -4.462
52 HB3 LEU 6 HB2 LEU 6 1.674 2.279 -3.938
53 HG LEU 6 HG LEU 6 3.483 0.917 -3.157
54 HD11 LEU 6 HD21 LEU 6 3.356 -1.624 -3.445
55 HD12 LEU 6 HD22 LEU 6 2.477 -0.925 -2.082
56 HD13 LEU 6 HD23 LEU 6 1.603 -1.437 -3.561
57 HD21 LEU 6 HD11 LEU 6 2.463 -0.331 -5.755
58 HD22 LEU 6 HD12 LEU 6 4.133 -0.256 -5.200
59 HD23 LEU 6 HD13 LEU 6 3.298 1.236 -5.645
60 H LEU 7 H LEU 7 -0.171 -0.042 -0.276
61 HA LEU 7 HA LEU 7 -2.362 -1.399 -1.577
62 HB2 LEU 7 HB1 LEU 7 -1.341 -3.306 0.330
63 HB3 LEU 7 HB2 LEU 7 -1.885 -3.468 -1.340
64 HG LEU 7 HG LEU 7 0.439 -2.785 -2.111
65 HD11 LEU 7 HD21 LEU 7 0.777 -2.736 0.886
66 HD12 LEU 7 HD22 LEU 7 1.507 -1.659 -0.301
67 HD13 LEU 7 HD23 LEU 7 2.131 -3.297 -0.086
68 HD21 LEU 7 HD11 LEU 7 -0.300 -5.156 -1.911
69 HD22 LEU 7 HD12 LEU 7 1.433 -4.936 -1.647
70 HD23 LEU 7 HD13 LEU 7 0.352 -5.191 -0.256
71 H LYS 8 H LYS 8 -1.160 0.032 1.379
72 HA LYS 8 HA LYS 8 -3.870 0.133 2.548
73 HB2 LYS 8 HB1 LYS 8 -1.481 1.990 2.969
74 HB3 LYS 8 HB2 LYS 8 -3.027 2.067 3.806
75 HG2 LYS 8 HG1 LYS 8 -1.984 0.915 5.401
76 HG3 LYS 8 HG2 LYS 8 -2.481 -0.459 4.440
77 HD2 LYS 8 HD1 LYS 8 -0.348 -1.115 4.514
78 HD3 LYS 8 HD2 LYS 8 0.034 0.142 3.350
79 HE2 LYS 8 HE1 LYS 8 -0.009 0.603 6.382
80 HE3 LYS 8 HE2 LYS 8 1.419 -0.009 5.539
81 HZ1 LYS 8 HZ1 LYS 8 0.158 2.590 4.907
82 HZ2 LYS 8 HZ2 LYS 8 1.548 1.936 4.250
83 HZ3 LYS 8 HZ3 LYS 8 1.513 2.381 5.817
84 H ARG 9 H ARG 9 -2.606 1.192 -0.311
85 HA ARG 9 HA ARG 9 -4.670 3.322 -0.677
86 HB2 ARG 9 HB1 ARG 9 -2.201 3.540 -1.410
87 HB3 ARG 9 HB2 ARG 9 -2.604 2.390 -2.691
88 HG2 ARG 9 HG1 ARG 9 -4.308 3.915 -3.592
89 HG3 ARG 9 HG2 ARG 9 -4.065 5.040 -2.240
90 HD2 ARG 9 HD1 ARG 9 -1.724 5.379 -2.932
91 HD3 ARG 9 HD2 ARG 9 -1.952 4.248 -4.287
92 HE ARG 9 HE ARG 9 -3.891 5.956 -4.877
93 HH11 ARG 9 HH11 ARG 9 -0.611 6.837 -3.922
94 HH12 ARG 9 HH12 ARG 9 -0.692 8.335 -4.798
95 HH21 ARG 9 HH21 ARG 9 -3.889 7.867 -5.963
96 HH22 ARG 9 HH22 ARG 9 -2.495 8.891 -5.930
97 H ILE 10 H ILE 10 -4.254 -0.039 -1.234
98 HA ILE 10 HA ILE 10 -6.394 -0.140 -3.294
99 HB ILE 10 HB ILE 10 -4.681 -2.348 -2.082
100 HG12 ILE 10 HG13 ILE 10 -3.346 -0.836 -3.477
101 HG13 ILE 10 HG12 ILE 10 -3.511 -2.407 -4.230
102 HG21 ILE 10 HG21 ILE 10 -5.582 -3.717 -3.981
103 HG22 ILE 10 HG22 ILE 10 -6.815 -3.272 -2.798
104 HG23 ILE 10 HG23 ILE 10 -6.727 -2.409 -4.340
105 HD11 ILE 10 HD11 ILE 10 -3.676 -0.565 -5.860
106 HD12 ILE 10 HD12 ILE 10 -5.058 0.118 -4.996
107 HD13 ILE 10 HD13 ILE 10 -5.199 -1.468 -5.797
108 H LEU 11 H LEU 11 -5.724 -1.293 0.029
109 HA LEU 11 HA LEU 11 -8.362 -2.141 0.520
110 HB2 LEU 11 HB1 LEU 11 -7.354 -3.087 2.208
111 HB3 LEU 11 HB2 LEU 11 -5.893 -2.287 1.759
112 HG LEU 11 HG LEU 11 -7.024 -0.347 3.377
113 HD11 LEU 11 HD21 LEU 11 -8.924 -1.950 3.945
114 HD12 LEU 11 HD22 LEU 11 -7.733 -3.055 4.620
115 HD13 LEU 11 HD23 LEU 11 -7.976 -1.446 5.343
116 HD21 LEU 11 HD11 LEU 11 -5.628 -2.086 5.153
117 HD22 LEU 11 HD12 LEU 11 -4.806 -2.159 3.597
118 HD23 LEU 11 HD13 LEU 11 -5.096 -0.592 4.389
119 H LYS 12 H LYS 12 -8.283 0.739 -0.467
120 HA LYS 12 HA LYS 12 -9.684 2.203 1.699
121 HB2 LYS 12 HB1 LYS 12 -9.400 2.841 -1.278
122 HB3 LYS 12 HB2 LYS 12 -10.213 3.855 -0.085
123 HG2 LYS 12 HG1 LYS 12 -7.257 3.248 -0.306
124 HG3 LYS 12 HG2 LYS 12 -8.092 4.797 -0.448
125 HD2 LYS 12 HD1 LYS 12 -8.783 4.247 2.101
126 HD3 LYS 12 HD2 LYS 12 -7.344 3.219 2.018
127 HE2 LYS 12 HE1 LYS 12 -7.588 6.227 1.654
128 HE3 LYS 12 HE2 LYS 12 -6.673 5.344 2.890
129 HZ1 LYS 12 HZ1 LYS 12 -5.232 6.187 1.125
130 HZ2 LYS 12 HZ2 LYS 12 -5.223 4.519 1.161
131 HZ3 LYS 12 HZ3 LYS 12 -6.088 5.333 0.003
Start of MODEL 19
1 H1 VAL 1 H VAL 1 12.537 -1.638 -2.020
2 HA VAL 1 HA VAL 1 10.702 -0.269 -0.926
3 HB VAL 1 HB VAL 1 12.841 0.504 -1.193
4 HG11 VAL 1 HG21 VAL 1 13.942 1.335 -3.185
5 HG12 VAL 1 HG22 VAL 1 12.482 0.998 -4.171
6 HG13 VAL 1 HG23 VAL 1 13.432 -0.323 -3.451
7 HG21 VAL 1 HG11 VAL 1 12.769 2.830 -1.692
8 HG22 VAL 1 HG12 VAL 1 11.254 2.370 -0.886
9 HG23 VAL 1 HG13 VAL 1 11.282 2.657 -2.654
10 H ARG 2 H ARG 2 9.687 -1.735 -3.549
11 HA ARG 2 HA ARG 2 7.245 -0.034 -3.279
12 HB2 ARG 2 HB1 ARG 2 8.585 -0.437 -5.792
13 HB3 ARG 2 HB2 ARG 2 6.992 -1.148 -5.911
14 HG2 ARG 2 HG1 ARG 2 7.536 1.653 -4.819
15 HG3 ARG 2 HG2 ARG 2 7.118 1.323 -6.501
16 HD2 ARG 2 HD1 ARG 2 4.907 0.857 -6.049
17 HD3 ARG 2 HD2 ARG 2 5.230 0.219 -4.443
18 HE ARG 2 HE ARG 2 5.660 2.619 -3.716
19 HH11 ARG 2 HH12 ARG 2 3.404 2.109 -6.323
20 HH12 ARG 2 HH11 ARG 2 2.345 3.364 -5.752
21 HH21 ARG 2 HH22 ARG 2 4.134 4.000 -2.890
22 HH22 ARG 2 HH21 ARG 2 2.737 4.375 -3.816
23 H ARG 3 H ARG 3 7.852 -2.500 -1.763
24 HA ARG 3 HA ARG 3 5.019 -2.237 -1.634
25 HB2 ARG 3 HB1 ARG 3 4.083 -4.305 -1.779
26 HB3 ARG 3 HB2 ARG 3 5.158 -4.257 -3.092
27 HG2 ARG 3 HG1 ARG 3 5.680 -5.926 -0.620
28 HG3 ARG 3 HG2 ARG 3 4.900 -6.452 -2.085
29 HD2 ARG 3 HD1 ARG 3 7.603 -5.189 -2.447
30 HD3 ARG 3 HD2 ARG 3 7.528 -6.738 -1.623
31 HE ARG 3 HE ARG 3 6.997 -7.841 -3.520
32 HH11 ARG 3 HH12 ARG 3 6.596 -4.460 -4.440
33 HH12 ARG 3 HH11 ARG 3 6.672 -4.861 -6.133
34 HH21 ARG 3 HH22 ARG 3 6.841 -8.243 -5.662
35 HH22 ARG 3 HH21 ARG 3 6.754 -6.935 -6.795
36 H PHE 4 H PHE 4 5.757 -0.910 0.450
37 HA PHE 4 HA PHE 4 3.412 -2.078 0.732
38 HB2 PHE 4 HB1 PHE 4 5.099 -3.274 2.786
39 HB3 PHE 4 HB2 PHE 4 3.616 -2.791 3.433
40 HD1 PHE 4 HD1 PHE 4 2.990 -3.848 -0.057
41 HD2 PHE 4 HD2 PHE 4 3.773 -5.310 3.923
42 HE1 PHE 4 HE1 PHE 4 2.085 -6.046 -0.669
43 HE2 PHE 4 HE2 PHE 4 2.676 -7.448 3.333
44 HZ PHE 4 HZ PHE 4 1.846 -7.835 1.025
45 H ASP 5 H ASP 5 4.219 1.033 1.067
46 HA ASP 5 HA ASP 5 1.719 1.542 2.494
47 HB2 ASP 5 HB1 ASP 5 2.009 3.866 1.676
48 HB3 ASP 5 HB2 ASP 5 3.476 3.215 2.346
49 H LEU 6 H LEU 6 2.428 0.311 -0.613
50 HA LEU 6 HA LEU 6 0.066 1.368 -1.908
51 HB2 LEU 6 HB1 LEU 6 0.875 1.070 -3.839
52 HB3 LEU 6 HB2 LEU 6 2.339 1.164 -2.896
53 HG LEU 6 HG LEU 6 2.781 -0.307 -4.595
54 HD11 LEU 6 HD21 LEU 6 3.258 -1.199 -2.210
55 HD12 LEU 6 HD22 LEU 6 2.013 -2.435 -2.620
56 HD13 LEU 6 HD23 LEU 6 3.430 -2.261 -3.637
57 HD21 LEU 6 HD11 LEU 6 1.339 -2.305 -5.170
58 HD22 LEU 6 HD12 LEU 6 0.720 -0.709 -5.614
59 HD23 LEU 6 HD13 LEU 6 0.060 -1.553 -4.189
60 H LEU 7 H LEU 7 0.361 -1.883 -0.377
61 HA LEU 7 HA LEU 7 -2.511 -2.020 -1.154
62 HB2 LEU 7 HB1 LEU 7 -1.781 -3.896 0.887
63 HB3 LEU 7 HB2 LEU 7 -2.769 -4.024 -0.560
64 HG LEU 7 HG LEU 7 0.266 -4.069 -0.657
65 HD11 LEU 7 HD21 LEU 7 -1.764 -6.343 -0.602
66 HD12 LEU 7 HD22 LEU 7 -0.002 -6.516 -0.678
67 HD13 LEU 7 HD23 LEU 7 -0.746 -5.835 0.768
68 HD21 LEU 7 HD11 LEU 7 -1.688 -5.161 -2.722
69 HD22 LEU 7 HD12 LEU 7 -1.107 -3.477 -2.805
70 HD23 LEU 7 HD13 LEU 7 0.035 -4.817 -2.919
71 H LYS 8 H LYS 8 -0.642 -0.584 1.381
72 HA LYS 8 HA LYS 8 -3.056 0.206 2.903
73 HB2 LYS 8 HB1 LYS 8 -0.172 1.045 3.137
74 HB3 LYS 8 HB2 LYS 8 -1.433 1.709 4.110
75 HG2 LYS 8 HG1 LYS 8 0.217 -0.327 4.849
76 HG3 LYS 8 HG2 LYS 8 -1.270 0.143 5.631
77 HD2 LYS 8 HD1 LYS 8 -2.457 -1.654 4.281
78 HD3 LYS 8 HD2 LYS 8 -0.845 -2.210 3.759
79 HE2 LYS 8 HE1 LYS 8 -0.220 -2.483 6.191
80 HE3 LYS 8 HE2 LYS 8 -1.846 -1.962 6.644
81 HZ1 LYS 8 HZ1 LYS 8 -1.826 -4.309 6.699
82 HZ2 LYS 8 HZ2 LYS 8 -2.673 -3.941 5.348
83 HZ3 LYS 8 HZ3 LYS 8 -1.113 -4.464 5.238
84 H ARG 9 H ARG 9 -2.338 0.874 -0.071
85 HA ARG 9 HA ARG 9 -3.802 3.487 -0.088
86 HB2 ARG 9 HB1 ARG 9 -1.624 3.763 -1.129
87 HB3 ARG 9 HB2 ARG 9 -1.853 2.306 -2.097
88 HG2 ARG 9 HG1 ARG 9 -3.610 3.403 -3.422
89 HG3 ARG 9 HG2 ARG 9 -3.413 4.889 -2.469
90 HD2 ARG 9 HD1 ARG 9 -1.169 5.230 -3.326
91 HD3 ARG 9 HD2 ARG 9 -1.108 3.593 -3.967
92 HE ARG 9 HE ARG 9 -2.391 4.166 -5.814
93 HH11 ARG 9 HH11 ARG 9 -2.180 7.055 -3.821
94 HH12 ARG 9 HH12 ARG 9 -2.615 8.088 -5.149
95 HH21 ARG 9 HH21 ARG 9 -2.986 5.559 -7.434
96 HH22 ARG 9 HH22 ARG 9 -3.051 7.259 -7.123
97 H ILE 10 H ILE 10 -3.786 0.132 -1.364
98 HA ILE 10 HA ILE 10 -6.226 0.476 -2.905
99 HB ILE 10 HB ILE 10 -4.880 -1.984 -1.764
100 HG12 ILE 10 HG12 ILE 10 -5.143 -1.302 -4.726
101 HG13 ILE 10 HG13 ILE 10 -3.850 -0.593 -3.760
102 HG21 ILE 10 HG21 ILE 10 -6.329 -3.399 -3.114
103 HG22 ILE 10 HG22 ILE 10 -7.177 -1.994 -3.789
104 HG23 ILE 10 HG23 ILE 10 -7.362 -2.420 -2.080
105 HD11 ILE 10 HD11 ILE 10 -2.859 -2.512 -4.684
106 HD12 ILE 10 HD12 ILE 10 -3.294 -3.017 -3.035
107 HD13 ILE 10 HD13 ILE 10 -4.301 -3.516 -4.405
108 H LEU 11 H LEU 11 -5.676 -0.758 0.460
109 HA LEU 11 HA LEU 11 -8.466 -1.236 0.875
110 HB2 LEU 11 HB1 LEU 11 -7.810 -2.285 2.728
111 HB3 LEU 11 HB2 LEU 11 -6.226 -2.113 2.039
112 HG LEU 11 HG LEU 11 -6.410 0.230 3.564
113 HD11 LEU 11 HD21 LEU 11 -8.558 -0.510 4.619
114 HD12 LEU 11 HD22 LEU 11 -7.240 -0.482 5.796
115 HD13 LEU 11 HD23 LEU 11 -7.792 -2.025 5.112
116 HD21 LEU 11 HD11 LEU 11 -4.554 -1.374 3.446
117 HD22 LEU 11 HD12 LEU 11 -5.448 -2.473 4.525
118 HD23 LEU 11 HD13 LEU 11 -4.935 -0.867 5.112
119 H LYS 12 H LYS 12 -6.769 1.713 1.132
120 HA LYS 12 HA LYS 12 -9.218 3.101 1.582
121 HB2 LYS 12 HB1 LYS 12 -9.044 4.152 3.535
122 HB3 LYS 12 HB2 LYS 12 -8.269 2.668 4.023
123 HG2 LYS 12 HG1 LYS 12 -6.833 5.256 3.250
124 HG3 LYS 12 HG2 LYS 12 -7.288 4.833 4.873
125 HD2 LYS 12 HD1 LYS 12 -5.659 3.184 5.115
126 HD3 LYS 12 HD2 LYS 12 -5.413 2.996 3.361
127 HE2 LYS 12 HE1 LYS 12 -4.197 4.942 3.128
128 HE3 LYS 12 HE2 LYS 12 -4.957 5.735 4.515
129 HZ1 LYS 12 HZ1 LYS 12 -2.650 5.202 4.931
130 HZ2 LYS 12 HZ2 LYS 12 -3.599 4.375 5.979
131 HZ3 LYS 12 HZ3 LYS 12 -2.910 3.608 4.670
Start of MODEL 20
1 H1 VAL 1 H VAL 1 11.691 -1.574 -4.550
2 HA VAL 1 HA VAL 1 11.151 0.979 -3.942
3 HB VAL 1 HB VAL 1 12.679 0.064 -5.650
4 HG11 VAL 1 HG21 VAL 1 12.051 -0.104 -7.964
5 HG12 VAL 1 HG22 VAL 1 11.059 -1.211 -7.011
6 HG13 VAL 1 HG23 VAL 1 10.354 0.316 -7.608
7 HG21 VAL 1 HG11 VAL 1 12.487 2.452 -5.301
8 HG22 VAL 1 HG12 VAL 1 11.188 2.547 -6.539
9 HG23 VAL 1 HG13 VAL 1 12.831 2.037 -6.988
10 H ARG 2 H ARG 2 9.099 -0.313 -3.254
11 HA ARG 2 HA ARG 2 6.804 0.351 -2.739
12 HB2 ARG 2 HB1 ARG 2 6.484 0.782 -5.719
13 HB3 ARG 2 HB2 ARG 2 5.184 0.588 -4.596
14 HG2 ARG 2 HG1 ARG 2 6.010 2.918 -5.495
15 HG3 ARG 2 HG2 ARG 2 5.112 2.699 -4.015
16 HD2 ARG 2 HD1 ARG 2 6.757 3.476 -2.698
17 HD3 ARG 2 HD2 ARG 2 8.025 2.637 -3.565
18 HE ARG 2 HE ARG 2 6.794 5.097 -4.716
19 HH11 ARG 2 HH12 ARG 2 9.684 3.478 -3.631
20 HH12 ARG 2 HH11 ARG 2 10.743 4.737 -4.208
21 HH21 ARG 2 HH22 ARG 2 8.215 6.657 -5.499
22 HH22 ARG 2 HH21 ARG 2 9.920 6.470 -5.235
23 H ARG 3 H ARG 3 7.526 -1.853 -2.095
24 HA ARG 3 HA ARG 3 4.838 -1.674 -2.147
25 HB2 ARG 3 HB1 ARG 3 3.839 -3.777 -2.384
26 HB3 ARG 3 HB2 ARG 3 4.754 -3.527 -3.801
27 HG2 ARG 3 HG1 ARG 3 5.408 -5.469 -1.542
28 HG3 ARG 3 HG2 ARG 3 4.667 -5.835 -3.080
29 HD2 ARG 3 HD1 ARG 3 7.493 -4.783 -2.753
30 HD3 ARG 3 HD2 ARG 3 7.027 -6.479 -2.943
31 HE ARG 3 HE ARG 3 6.351 -4.399 -5.007
32 HH11 ARG 3 HH12 ARG 3 7.921 -7.485 -4.350
33 HH12 ARG 3 HH11 ARG 3 8.052 -7.869 -6.039
34 HH21 ARG 3 HH22 ARG 3 6.494 -5.013 -7.132
35 HH22 ARG 3 HH21 ARG 3 7.262 -6.510 -7.560
36 H PHE 4 H PHE 4 5.355 -0.794 0.026
37 HA PHE 4 HA PHE 4 3.258 -2.129 0.530
38 HB2 PHE 4 HB1 PHE 4 5.176 -3.514 2.302
39 HB3 PHE 4 HB2 PHE 4 3.619 -3.234 2.964
40 HD1 PHE 4 HD1 PHE 4 2.992 -3.786 -0.542
41 HD2 PHE 4 HD2 PHE 4 3.883 -5.753 3.179
42 HE1 PHE 4 HE1 PHE 4 2.265 -5.930 -1.506
43 HE2 PHE 4 HE2 PHE 4 2.935 -7.855 2.268
44 HZ PHE 4 HZ PHE 4 2.161 -7.960 -0.091
45 H ASP 5 H ASP 5 3.986 0.771 0.830
46 HA ASP 5 HA ASP 5 1.355 0.701 2.328
47 HB2 ASP 5 HB1 ASP 5 1.533 2.900 2.900
48 HB3 ASP 5 HB2 ASP 5 3.177 2.346 3.218
49 H LEU 6 H LEU 6 1.736 -0.366 -0.239
50 HA LEU 6 HA LEU 6 -0.355 1.372 -1.523
51 HB2 LEU 6 HB1 LEU 6 -0.018 0.029 -3.624
52 HB3 LEU 6 HB2 LEU 6 0.908 1.477 -3.247
53 HG LEU 6 HG LEU 6 2.892 0.205 -2.723
54 HD11 LEU 6 HD21 LEU 6 2.386 -1.809 -1.715
55 HD12 LEU 6 HD22 LEU 6 2.580 -2.373 -3.411
56 HD13 LEU 6 HD23 LEU 6 0.968 -2.116 -2.747
57 HD21 LEU 6 HD11 LEU 6 2.441 0.703 -5.108
58 HD22 LEU 6 HD12 LEU 6 1.556 -0.840 -5.270
59 HD23 LEU 6 HD13 LEU 6 3.303 -0.841 -4.920
60 H LEU 7 H LEU 7 0.209 -2.043 -0.401
61 HA LEU 7 HA LEU 7 -2.730 -2.320 -0.786
62 HB2 LEU 7 HB1 LEU 7 -1.459 -4.220 1.019
63 HB3 LEU 7 HB2 LEU 7 -2.684 -4.409 -0.250
64 HG LEU 7 HG LEU 7 0.323 -4.186 -0.652
65 HD11 LEU 7 HD21 LEU 7 -1.644 -6.497 -0.966
66 HD12 LEU 7 HD22 LEU 7 -0.526 -6.255 0.398
67 HD13 LEU 7 HD23 LEU 7 0.110 -6.567 -1.221
68 HD21 LEU 7 HD11 LEU 7 -1.657 -4.994 -2.806
69 HD22 LEU 7 HD12 LEU 7 0.054 -4.577 -2.948
70 HD23 LEU 7 HD13 LEU 7 -1.139 -3.298 -2.639
71 H LYS 8 H LYS 8 -0.803 -0.817 1.616
72 HA LYS 8 HA LYS 8 -3.277 -0.292 3.196
73 HB2 LYS 8 HB1 LYS 8 -0.724 1.201 3.649
74 HB3 LYS 8 HB2 LYS 8 -2.088 0.956 4.715
75 HG2 LYS 8 HG1 LYS 8 0.229 -0.824 4.119
76 HG3 LYS 8 HG2 LYS 8 -0.375 -0.277 5.657
77 HD2 LYS 8 HD1 LYS 8 -1.330 -2.615 3.965
78 HD3 LYS 8 HD2 LYS 8 -0.487 -2.618 5.482
79 HE2 LYS 8 HE1 LYS 8 -2.483 -3.316 6.157
80 HE3 LYS 8 HE2 LYS 8 -2.615 -1.608 6.555
81 HZ1 LYS 8 HZ1 LYS 8 -4.535 -2.771 5.350
82 HZ2 LYS 8 HZ2 LYS 8 -4.089 -1.314 4.743
83 HZ3 LYS 8 HZ3 LYS 8 -3.627 -2.704 3.982
84 H ARG 9 H ARG 9 -2.623 0.355 0.230
85 HA ARG 9 HA ARG 9 -4.636 2.531 0.372
86 HB2 ARG 9 HB1 ARG 9 -2.570 2.309 -1.880
87 HB3 ARG 9 HB2 ARG 9 -3.872 3.492 -1.720
88 HG2 ARG 9 HG1 ARG 9 -2.910 4.218 0.479
89 HG3 ARG 9 HG2 ARG 9 -1.552 3.183 0.203
90 HD2 ARG 9 HD1 ARG 9 -0.474 4.664 -1.065
91 HD3 ARG 9 HD2 ARG 9 -1.913 5.000 -2.059
92 HE ARG 9 HE ARG 9 -1.557 6.096 0.715
93 HH11 ARG 9 HH11 ARG 9 -1.605 7.008 -2.636
94 HH12 ARG 9 HH12 ARG 9 -2.231 8.597 -2.303
95 HH21 ARG 9 HH21 ARG 9 -2.462 8.095 1.080
96 HH22 ARG 9 HH22 ARG 9 -2.718 9.193 -0.246
97 H ILE 10 H ILE 10 -4.459 -0.621 -0.034
98 HA ILE 10 HA ILE 10 -6.770 -0.573 -1.943
99 HB ILE 10 HB ILE 10 -5.042 -2.923 -1.166
100 HG12 ILE 10 HG13 ILE 10 -5.839 -1.665 -3.855
101 HG13 ILE 10 HG12 ILE 10 -4.340 -1.289 -3.002
102 HG21 ILE 10 HG21 ILE 10 -6.613 -4.266 -2.602
103 HG22 ILE 10 HG22 ILE 10 -7.378 -3.723 -1.114
104 HG23 ILE 10 HG23 ILE 10 -7.739 -2.896 -2.646
105 HD11 ILE 10 HD11 ILE 10 -3.812 -2.776 -4.747
106 HD12 ILE 10 HD12 ILE 10 -3.639 -3.685 -3.226
107 HD13 ILE 10 HD13 ILE 10 -5.060 -3.945 -4.276
108 H LEU 11 H LEU 11 -5.777 -1.630 1.330
109 HA LEU 11 HA LEU 11 -8.502 -0.717 2.286
110 HB2 LEU 11 HB1 LEU 11 -6.064 -1.907 3.581
111 HB3 LEU 11 HB2 LEU 11 -7.053 -0.822 4.540
112 HG LEU 11 HG LEU 11 -7.535 -3.249 4.833
113 HD11 LEU 11 HD21 LEU 11 -9.199 -1.592 5.513
114 HD12 LEU 11 HD22 LEU 11 -9.881 -1.548 3.872
115 HD13 LEU 11 HD23 LEU 11 -9.989 -3.025 4.845
116 HD21 LEU 11 HD11 LEU 11 -8.791 -4.480 3.180
117 HD22 LEU 11 HD12 LEU 11 -8.876 -3.069 2.116
118 HD23 LEU 11 HD13 LEU 11 -7.309 -3.871 2.413
119 H LYS 12 H LYS 12 -8.348 1.205 1.076
120 HA LYS 12 HA LYS 12 -6.512 3.396 1.451
121 HB2 LYS 12 HB1 LYS 12 -9.532 3.325 0.936
122 HB3 LYS 12 HB2 LYS 12 -8.579 4.800 0.979
123 HG2 LYS 12 HG1 LYS 12 -8.311 4.609 -1.197
124 HG3 LYS 12 HG2 LYS 12 -7.155 3.323 -0.881
125 HD2 LYS 12 HD1 LYS 12 -8.953 1.632 -1.168
126 HD3 LYS 12 HD2 LYS 12 -10.161 2.931 -1.297
127 HE2 LYS 12 HE1 LYS 12 -8.771 3.811 -3.281
128 HE3 LYS 12 HE2 LYS 12 -7.925 2.258 -3.248
129 HZ1 LYS 12 HZ1 LYS 12 -9.827 2.283 -4.796
130 HZ2 LYS 12 HZ2 LYS 12 -10.072 1.166 -3.613
131 HZ3 LYS 12 HZ3 LYS 12 -10.866 2.602 -3.570
Start of MODEL 21
1 H1 VAL 1 H VAL 1 11.702 -1.862 -6.122
2 HA VAL 1 HA VAL 1 11.006 -2.918 -3.755
3 HB VAL 1 HB VAL 1 12.886 -1.887 -2.719
4 HG11 VAL 1 HG21 VAL 1 12.945 0.336 -3.873
5 HG12 VAL 1 HG22 VAL 1 11.626 0.904 -2.823
6 HG13 VAL 1 HG23 VAL 1 13.139 0.382 -2.116
7 HG21 VAL 1 HG11 VAL 1 11.821 -1.988 -0.781
8 HG22 VAL 1 HG12 VAL 1 10.821 -0.560 -1.107
9 HG23 VAL 1 HG13 VAL 1 10.314 -2.168 -1.684
10 H ARG 2 H ARG 2 10.271 0.325 -3.306
11 HA ARG 2 HA ARG 2 8.270 1.299 -3.032
12 HB2 ARG 2 HB1 ARG 2 9.117 1.622 -5.505
13 HB3 ARG 2 HB2 ARG 2 7.707 0.679 -5.956
14 HG2 ARG 2 HG1 ARG 2 7.500 3.178 -6.065
15 HG3 ARG 2 HG2 ARG 2 6.231 2.405 -5.099
16 HD2 ARG 2 HD1 ARG 2 7.098 3.209 -3.067
17 HD3 ARG 2 HD2 ARG 2 8.731 3.393 -3.730
18 HE ARG 2 HE ARG 2 8.273 5.493 -4.468
19 HH11 ARG 2 HH12 ARG 2 5.256 4.197 -3.260
20 HH12 ARG 2 HH11 ARG 2 4.439 5.719 -3.446
21 HH21 ARG 2 HH22 ARG 2 7.180 7.386 -4.658
22 HH22 ARG 2 HH21 ARG 2 5.487 7.467 -4.291
23 H ARG 3 H ARG 3 8.195 -1.150 -2.074
24 HA ARG 3 HA ARG 3 5.285 -1.637 -2.339
25 HB2 ARG 3 HB1 ARG 3 7.377 -3.539 -2.498
26 HB3 ARG 3 HB2 ARG 3 6.547 -3.930 -1.015
27 HG2 ARG 3 HG1 ARG 3 4.564 -4.444 -2.119
28 HG3 ARG 3 HG2 ARG 3 4.862 -3.293 -3.425
29 HD2 ARG 3 HD1 ARG 3 4.627 -5.551 -4.143
30 HD3 ARG 3 HD2 ARG 3 5.953 -4.554 -4.768
31 HE ARG 3 HE ARG 3 7.358 -5.871 -2.986
32 HH11 ARG 3 HH12 ARG 3 5.110 -7.160 -5.359
33 HH12 ARG 3 HH11 ARG 3 5.870 -8.725 -5.330
34 HH21 ARG 3 HH22 ARG 3 8.239 -7.907 -3.012
35 HH22 ARG 3 HH21 ARG 3 7.570 -9.120 -4.068
36 H PHE 4 H PHE 4 5.728 -3.028 0.517
37 HA PHE 4 HA PHE 4 3.331 -1.874 0.856
38 HB2 PHE 4 HB1 PHE 4 5.072 -3.582 2.569
39 HB3 PHE 4 HB2 PHE 4 3.500 -3.139 3.156
40 HD1 PHE 4 HD2 PHE 4 2.963 -3.524 -0.357
41 HD2 PHE 4 HD1 PHE 4 3.729 -5.726 3.277
42 HE1 PHE 4 HE2 PHE 4 2.125 -5.587 -1.407
43 HE2 PHE 4 HE1 PHE 4 2.815 -7.765 2.212
44 HZ PHE 4 HZ PHE 4 2.051 -7.706 -0.145
45 H ASP 5 H ASP 5 4.232 0.910 1.137
46 HA ASP 5 HA ASP 5 1.903 0.817 3.015
47 HB2 ASP 5 HB1 ASP 5 1.707 3.168 2.770
48 HB3 ASP 5 HB2 ASP 5 3.295 2.739 3.335
49 H LEU 6 H LEU 6 2.528 0.018 -0.137
50 HA LEU 6 HA LEU 6 0.093 1.204 -1.231
51 HB2 LEU 6 HB1 LEU 6 0.964 1.051 -3.216
52 HB3 LEU 6 HB2 LEU 6 2.442 0.877 -2.289
53 HG LEU 6 HG LEU 6 2.752 -0.546 -3.996
54 HD11 LEU 6 HD21 LEU 6 1.460 -2.524 -2.118
55 HD12 LEU 6 HD22 LEU 6 2.764 -2.758 -3.282
56 HD13 LEU 6 HD23 LEU 6 3.028 -1.770 -1.820
57 HD21 LEU 6 HD11 LEU 6 1.152 -2.110 -4.999
58 HD22 LEU 6 HD12 LEU 6 0.584 -0.444 -5.100
59 HD23 LEU 6 HD13 LEU 6 -0.113 -1.549 -3.886
60 H LEU 7 H LEU 7 0.388 -1.817 0.289
61 HA LEU 7 HA LEU 7 -2.393 -2.526 -0.650
62 HB2 LEU 7 HB1 LEU 7 -0.359 -3.841 1.128
63 HB3 LEU 7 HB2 LEU 7 -2.071 -4.055 1.524
64 HG LEU 7 HG LEU 7 -2.586 -5.030 -0.614
65 HD11 LEU 7 HD21 LEU 7 -1.211 -3.914 -2.222
66 HD12 LEU 7 HD22 LEU 7 0.276 -4.321 -1.355
67 HD13 LEU 7 HD23 LEU 7 -0.655 -5.587 -2.198
68 HD21 LEU 7 HD11 LEU 7 -1.734 -6.495 1.137
69 HD22 LEU 7 HD12 LEU 7 -0.063 -6.131 0.678
70 HD23 LEU 7 HD13 LEU 7 -1.113 -7.055 -0.417
71 H LYS 8 H LYS 8 -0.606 -0.779 1.782
72 HA LYS 8 HA LYS 8 -3.041 0.072 3.175
73 HB2 LYS 8 HB1 LYS 8 -0.163 0.955 3.453
74 HB3 LYS 8 HB2 LYS 8 -1.469 1.598 4.379
75 HG2 LYS 8 HG1 LYS 8 0.209 -0.507 5.064
76 HG3 LYS 8 HG2 LYS 8 -1.231 0.006 5.905
77 HD2 LYS 8 HD1 LYS 8 -2.541 -1.717 4.586
78 HD3 LYS 8 HD2 LYS 8 -0.984 -2.308 3.951
79 HE2 LYS 8 HE1 LYS 8 -0.226 -2.766 6.279
80 HE3 LYS 8 HE2 LYS 8 -1.781 -2.194 6.891
81 HZ1 LYS 8 HZ1 LYS 8 -1.816 -4.573 6.747
82 HZ2 LYS 8 HZ2 LYS 8 -2.840 -4.011 5.602
83 HZ3 LYS 8 HZ3 LYS 8 -1.354 -4.584 5.179
84 H ARG 9 H ARG 9 -1.849 0.668 0.144
85 HA ARG 9 HA ARG 9 -3.562 3.079 -0.121
86 HB2 ARG 9 HB1 ARG 9 -1.387 3.101 -1.311
87 HB3 ARG 9 HB2 ARG 9 -1.905 1.741 -2.293
88 HG2 ARG 9 HG1 ARG 9 -3.124 2.994 -3.684
89 HG3 ARG 9 HG2 ARG 9 -3.874 3.926 -2.390
90 HD2 ARG 9 HD1 ARG 9 -1.081 4.407 -3.520
91 HD3 ARG 9 HD2 ARG 9 -2.532 5.319 -3.940
92 HE ARG 9 HE ARG 9 -2.664 6.144 -1.614
93 HH11 ARG 9 HH12 ARG 9 0.468 4.911 -2.537
94 HH12 ARG 9 HH11 ARG 9 1.196 5.505 -1.058
95 HH21 ARG 9 HH22 ARG 9 -1.601 6.902 0.235
96 HH22 ARG 9 HH21 ARG 9 0.110 6.674 0.306
97 H ILE 10 H ILE 10 -3.561 -0.399 -1.169
98 HA ILE 10 HA ILE 10 -6.084 -0.078 -2.501
99 HB ILE 10 HB ILE 10 -4.910 -2.648 -1.408
100 HG12 ILE 10 HG13 ILE 10 -4.905 -1.579 -4.280
101 HG13 ILE 10 HG12 ILE 10 -3.558 -1.329 -3.185
102 HG21 ILE 10 HG21 ILE 10 -6.425 -3.744 -3.071
103 HG22 ILE 10 HG22 ILE 10 -7.368 -2.861 -1.876
104 HG23 ILE 10 HG23 ILE 10 -7.120 -2.170 -3.485
105 HD11 ILE 10 HD11 ILE 10 -2.923 -3.166 -4.472
106 HD12 ILE 10 HD12 ILE 10 -4.500 -3.955 -4.342
107 HD13 ILE 10 HD13 ILE 10 -3.429 -3.876 -2.925
108 H LEU 11 H LEU 11 -5.451 -0.620 0.971
109 HA LEU 11 HA LEU 11 -8.186 -0.960 1.679
110 HB2 LEU 11 HB1 LEU 11 -7.336 -1.303 3.662
111 HB3 LEU 11 HB2 LEU 11 -5.758 -1.010 3.016
112 HG LEU 11 HG LEU 11 -6.711 1.591 3.791
113 HD11 LEU 11 HD21 LEU 11 -8.518 0.413 5.069
114 HD12 LEU 11 HD22 LEU 11 -7.393 1.306 6.091
115 HD13 LEU 11 HD23 LEU 11 -7.259 -0.464 5.974
116 HD21 LEU 11 HD11 LEU 11 -5.114 1.255 5.732
117 HD22 LEU 11 HD12 LEU 11 -4.494 1.187 4.104
118 HD23 LEU 11 HD13 LEU 11 -4.753 -0.336 5.023
119 H LYS 12 H LYS 12 -6.906 1.849 0.352
120 HA LYS 12 HA LYS 12 -7.243 3.832 2.183
121 HB2 LYS 12 HB1 LYS 12 -7.192 5.438 0.352
122 HB3 LYS 12 HB2 LYS 12 -6.114 4.097 0.013
123 HG2 LYS 12 HG1 LYS 12 -8.169 3.128 -1.373
124 HG3 LYS 12 HG2 LYS 12 -8.811 4.759 -1.208
125 HD2 LYS 12 HD1 LYS 12 -6.416 5.429 -2.229
126 HD3 LYS 12 HD2 LYS 12 -6.515 3.761 -2.855
127 HE2 LYS 12 HE1 LYS 12 -8.815 4.244 -3.702
128 HE3 LYS 12 HE2 LYS 12 -8.669 5.901 -3.103
129 HZ1 LYS 12 HZ1 LYS 12 -8.227 5.852 -5.425
130 HZ2 LYS 12 HZ2 LYS 12 -6.809 6.201 -4.685
131 HZ3 LYS 12 HZ3 LYS 12 -7.083 4.686 -5.298