Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
612878 | 5mxs RC | 34091 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 H1 TRP 1 2.964 0.140 -1.673
2 H2 TRP 1 H2 TRP 1 4.206 -0.116 -0.632
3 H3 TRP 1 H3 TRP 1 4.038 1.353 -1.350
4 HA TRP 1 HA TRP 1 2.171 0.142 0.580
5 HB2 TRP 1 HB2 TRP 1 2.891 1.783 2.141
6 HB3 TRP 1 HB3 TRP 1 4.328 0.960 1.537
7 HD1 TRP 1 HD1 TRP 1 6.069 2.404 0.152
8 HE1 TRP 1 HE1 TRP 1 6.416 4.908 -0.192
9 HE3 TRP 1 HE3 TRP 1 1.566 4.080 1.888
10 HZ2 TRP 1 HZ2 TRP 1 4.912 7.345 0.206
11 HZ3 TRP 1 HZ3 TRP 1 1.039 6.505 1.872
12 HH2 TRP 1 HH2 TRP 1 2.705 8.141 1.035
13 H TYR 2 H TYR 2 2.430 2.170 -2.169
14 HA TYR 2 HA TYR 2 0.969 4.380 -1.318
15 HB2 TYR 2 HB2 TYR 2 1.574 3.303 -4.035
16 HB3 TYR 2 HB3 TYR 2 0.517 4.696 -3.826
17 HD1 TYR 2 HD1 TYR 2 3.912 3.655 -4.089
18 HD2 TYR 2 HD2 TYR 2 1.364 6.664 -2.367
19 HE1 TYR 2 HE1 TYR 2 5.856 5.183 -3.896
20 HE2 TYR 2 HE2 TYR 2 3.301 8.203 -2.180
21 HH TYR 2 HH TYR 2 6.584 7.262 -3.265
22 H HIS 3 H HIS 3 -0.441 1.324 -1.634
23 HA HIS 3 HA HIS 3 -3.070 2.227 -2.436
24 HB2 HIS 3 HB2 HIS 3 -3.767 0.026 -1.508
25 HB3 HIS 3 HB3 HIS 3 -2.454 -0.089 -2.684
26 HD2 HIS 3 HD2 HIS 3 -3.395 -1.286 0.686
27 HE1 HIS 3 HE1 HIS 3 0.836 -1.720 0.579
28 HE2 HIS 3 HE2 HIS 3 -1.291 -2.334 1.844
29 H ARG 4 H ARG 4 -1.193 2.465 0.479
30 HA ARG 4 HA ARG 4 -3.587 2.998 2.124
31 HB2 ARG 4 HB2 ARG 4 -0.636 2.952 2.874
32 HB3 ARG 4 HB3 ARG 4 -2.002 3.136 3.991
33 HG2 ARG 4 HG2 ARG 4 -2.864 0.896 3.196
34 HG3 ARG 4 HG3 ARG 4 -1.348 0.704 2.283
35 HD2 ARG 4 HD2 ARG 4 -1.616 1.088 5.295
36 HD3 ARG 4 HD3 ARG 4 -1.256 -0.433 4.472
37 HE ARG 4 HE ARG 4 0.896 0.445 3.792
38 HH11 ARG 4 HH11 ARG 4 -0.822 2.427 6.181
39 HH12 ARG 4 HH12 ARG 4 0.638 3.222 6.723
40 HH21 ARG 4 HH21 ARG 4 2.771 1.499 4.543
41 HH22 ARG 4 HH22 ARG 4 2.652 2.694 5.811
42 H LEU 5 H LEU 5 -1.924 4.772 -0.096
43 HA LEU 5 HA LEU 5 -1.111 7.117 1.264
44 HB2 LEU 5 HB2 LEU 5 -0.573 6.562 -1.089
45 HB3 LEU 5 HB3 LEU 5 -2.284 6.742 -1.519
46 HG LEU 5 HG LEU 5 -2.147 9.150 -0.717
47 HD11 LEU 5 HD11 LEU 5 0.828 8.464 -0.741
48 HD12 LEU 5 HD12 LEU 5 0.171 10.111 -0.677
49 HD13 LEU 5 HD13 LEU 5 -0.129 8.991 0.670
50 HD21 LEU 5 HD21 LEU 5 -2.093 8.520 -3.087
51 HD22 LEU 5 HD22 LEU 5 -1.034 9.909 -2.770
52 HD23 LEU 5 HD23 LEU 5 -0.329 8.288 -2.998
53 H SER 6 H SER 6 -4.336 6.045 0.174
54 HA SER 6 HA SER 6 -5.658 8.548 0.508
55 HB2 SER 6 HB2 SER 6 -6.596 6.669 -0.761
56 HB3 SER 6 HB3 SER 6 -6.701 5.698 0.728
57 HG SER 6 HG SER 6 -8.679 6.745 0.171
58 H HIS 7 H HIS 7 -4.676 6.032 2.831
59 HA HIS 7 HA HIS 7 -6.427 6.935 4.932
60 HB2 HIS 7 HB2 HIS 7 -3.884 5.271 5.049
61 HB3 HIS 7 HB3 HIS 7 -5.061 5.470 6.348
62 HD2 HIS 7 HD2 HIS 7 -6.769 3.567 6.515
63 HE1 HIS 7 HE1 HIS 7 -6.783 2.222 2.481
64 HE2 HIS 7 HE2 HIS 7 -7.705 1.802 4.822
65 H LEU 8 H LEU 8 -3.090 7.706 3.890
66 HA LEU 8 HA LEU 8 -2.460 9.292 6.247
67 HB2 LEU 8 HB2 LEU 8 -1.280 8.989 3.458
68 HB3 LEU 8 HB3 LEU 8 -0.724 10.240 4.576
69 HG LEU 8 HG LEU 8 -0.217 8.474 6.277
70 HD11 LEU 8 HD11 LEU 8 -0.693 6.615 3.903
71 HD12 LEU 8 HD12 LEU 8 0.101 6.154 5.422
72 HD13 LEU 8 HD13 LEU 8 -1.609 6.619 5.435
73 HD21 LEU 8 HD21 LEU 8 1.475 9.511 4.815
74 HD22 LEU 8 HD22 LEU 8 1.868 7.809 5.136
75 HD23 LEU 8 HD23 LEU 8 1.164 8.285 3.569
76 H HIS 9 H HIS 9 -3.624 10.004 2.903
77 HA HIS 9 HA HIS 9 -3.674 12.835 3.378
78 HB2 HIS 9 HB2 HIS 9 -4.758 11.018 1.224
79 HB3 HIS 9 HB3 HIS 9 -5.115 12.751 1.237
80 HD2 HIS 9 HD2 HIS 9 -3.592 13.892 -0.486
81 HE1 HIS 9 HE1 HIS 9 0.091 11.954 0.376
82 HE2 HIS 9 HE2 HIS 9 -1.035 13.745 -1.033
83 H SER 10 H SER 10 -5.859 10.301 4.313
84 HA SER 10 HA SER 10 -8.155 12.086 4.592
85 HB2 SER 10 HB2 SER 10 -7.549 9.309 5.691
86 HB3 SER 10 HB3 SER 10 -9.072 10.190 5.938
87 HG SER 10 HG SER 10 -7.936 9.319 3.499
88 H ARG 11 H ARG 11 -5.329 11.156 6.486
89 HA ARG 11 HA ARG 11 -6.398 12.357 8.949
90 HB2 ARG 11 HB2 ARG 11 -3.759 11.028 8.229
91 HB3 ARG 11 HB3 ARG 11 -4.122 11.706 9.834
92 HG2 ARG 11 HG2 ARG 11 -6.036 10.201 10.083
93 HG3 ARG 11 HG3 ARG 11 -5.769 9.536 8.464
94 HD2 ARG 11 HD2 ARG 11 -3.525 8.751 9.158
95 HD3 ARG 11 HD3 ARG 11 -3.782 9.412 10.778
96 HE ARG 11 HE ARG 11 -5.175 7.077 9.556
97 HH11 ARG 11 HH11 ARG 11 -4.548 9.087 12.408
98 HH12 ARG 11 HH12 ARG 11 -5.245 7.922 13.511
99 HH21 ARG 11 HH21 ARG 11 -6.056 5.590 11.023
100 HH22 ARG 11 HH22 ARG 11 -6.082 5.949 12.732
101 H LEU 12 H LEU 12 -4.789 13.429 6.140
102 HA LEU 12 HA LEU 12 -3.218 15.561 7.315
103 HB2 LEU 12 HB2 LEU 12 -2.710 14.591 5.112
104 HB3 LEU 12 HB3 LEU 12 -4.329 15.016 4.538
105 HG LEU 12 HG LEU 12 -3.766 17.454 4.856
106 HD11 LEU 12 HD11 LEU 12 -0.969 16.316 5.273
107 HD12 LEU 12 HD12 LEU 12 -1.361 18.035 5.049
108 HD13 LEU 12 HD13 LEU 12 -1.924 17.182 6.502
109 HD21 LEU 12 HD21 LEU 12 -1.990 15.836 3.003
110 HD22 LEU 12 HD22 LEU 12 -3.667 16.356 2.696
111 HD23 LEU 12 HD23 LEU 12 -2.380 17.569 2.842
112 H GLN 13 H GLN 13 -6.596 15.118 6.523
113 HA GLN 13 HA GLN 13 -7.227 17.824 5.933
114 HB2 GLN 13 HB2 GLN 13 -9.037 15.646 7.049
115 HB3 GLN 13 HB3 GLN 13 -9.551 17.104 6.183
116 HG2 GLN 13 HG2 GLN 13 -7.905 14.792 5.067
117 HG3 GLN 13 HG3 GLN 13 -9.580 15.163 4.669
118 HE21 GLN 13 HE21 GLN 13 -7.179 14.969 2.910
119 HE22 GLN 13 HE22 GLN 13 -7.099 16.501 2.069
120 H ASP 14 H ASP 14 -8.657 19.243 7.250
121 HA ASP 14 HA ASP 14 -7.553 19.524 9.899
122 HB2 ASP 14 HB2 ASP 14 -9.015 21.596 9.967
123 HB3 ASP 14 HB3 ASP 14 -7.688 21.524 8.804
124 HN1 NH2 15 HN1 NH2 15 -9.948 17.508 8.976
125 HN2 NH2 15 HN2 NH2 15 -10.922 17.538 10.435
Start of MODEL 2
1 H1 TRP 1 H1 TRP 1 4.310 0.196 -0.745
2 H2 TRP 1 H2 TRP 1 4.102 1.631 -1.515
3 H3 TRP 1 H3 TRP 1 3.042 0.394 -1.775
4 HA TRP 1 HA TRP 1 2.300 0.460 0.496
5 HB2 TRP 1 HB2 TRP 1 3.041 2.153 1.991
6 HB3 TRP 1 HB3 TRP 1 4.462 1.329 1.378
7 HD1 TRP 1 HD1 TRP 1 6.151 2.763 -0.102
8 HE1 TRP 1 HE1 TRP 1 6.447 5.258 -0.523
9 HE3 TRP 1 HE3 TRP 1 1.671 4.421 1.714
10 HZ2 TRP 1 HZ2 TRP 1 4.913 7.687 -0.166
11 HZ3 TRP 1 HZ3 TRP 1 1.112 6.833 1.655
12 HH2 TRP 1 HH2 TRP 1 2.721 8.471 0.722
13 H TYR 2 H TYR 2 2.487 2.425 -2.316
14 HA TYR 2 HA TYR 2 1.003 4.628 -1.495
15 HB2 TYR 2 HB2 TYR 2 1.564 3.488 -4.197
16 HB3 TYR 2 HB3 TYR 2 0.481 4.863 -3.993
17 HD1 TYR 2 HD1 TYR 2 1.309 6.906 -2.677
18 HD2 TYR 2 HD2 TYR 2 3.906 3.864 -4.263
19 HE1 TYR 2 HE1 TYR 2 3.219 8.487 -2.567
20 HE2 TYR 2 HE2 TYR 2 5.823 5.444 -4.157
21 HH TYR 2 HH TYR 2 5.448 8.802 -2.981
22 H HIS 3 H HIS 3 -0.361 1.527 -1.794
23 HA HIS 3 HA HIS 3 -3.021 2.408 -2.530
24 HB2 HIS 3 HB2 HIS 3 -3.671 0.177 -1.650
25 HB3 HIS 3 HB3 HIS 3 -2.371 0.106 -2.848
26 HD2 HIS 3 HD2 HIS 3 -3.259 -1.214 0.477
27 HE1 HIS 3 HE1 HIS 3 0.976 -1.568 0.335
28 HE2 HIS 3 HE2 HIS 3 -1.132 -2.280 1.574
29 H ARG 4 H ARG 4 -1.107 2.617 0.349
30 HA ARG 4 HA ARG 4 -3.467 3.051 2.068
31 HB2 ARG 4 HB2 ARG 4 -0.487 3.026 2.703
32 HB3 ARG 4 HB3 ARG 4 -1.798 3.239 3.881
33 HG2 ARG 4 HG2 ARG 4 -2.716 1.020 3.240
34 HG3 ARG 4 HG3 ARG 4 -1.371 0.801 2.101
35 HD2 ARG 4 HD2 ARG 4 -0.883 -0.370 4.194
36 HD3 ARG 4 HD3 ARG 4 0.238 0.973 3.974
37 HE ARG 4 HE ARG 4 -0.667 2.058 5.821
38 HH11 ARG 4 HH11 ARG 4 -2.713 -0.695 4.955
39 HH12 ARG 4 HH12 ARG 4 -3.647 -0.600 6.433
40 HH21 ARG 4 HH21 ARG 4 -1.908 2.154 7.721
41 HH22 ARG 4 HH22 ARG 4 -3.200 1.007 7.983
42 H LEU 5 H LEU 5 -1.964 4.935 -0.159
43 HA LEU 5 HA LEU 5 -1.167 7.261 1.245
44 HB2 LEU 5 HB2 LEU 5 -0.695 6.792 -1.142
45 HB3 LEU 5 HB3 LEU 5 -2.425 6.932 -1.503
46 HG LEU 5 HG LEU 5 -2.322 9.327 -0.637
47 HD11 LEU 5 HD11 LEU 5 -0.257 9.178 0.686
48 HD12 LEU 5 HD12 LEU 5 0.669 8.721 -0.771
49 HD13 LEU 5 HD13 LEU 5 -0.028 10.342 -0.630
50 HD21 LEU 5 HD21 LEU 5 -2.332 8.779 -3.018
51 HD22 LEU 5 HD22 LEU 5 -1.284 10.176 -2.693
52 HD23 LEU 5 HD23 LEU 5 -0.560 8.579 -3.000
53 H SER 6 H SER 6 -4.398 6.137 0.227
54 HA SER 6 HA SER 6 -5.753 8.603 0.696
55 HB2 SER 6 HB2 SER 6 -6.687 6.772 -0.637
56 HB3 SER 6 HB3 SER 6 -6.721 5.716 0.789
57 HG SER 6 HG SER 6 -8.183 8.109 0.393
58 H HIS 7 H HIS 7 -4.675 6.008 2.875
59 HA HIS 7 HA HIS 7 -6.407 6.755 5.052
60 HB2 HIS 7 HB2 HIS 7 -3.808 5.174 5.017
61 HB3 HIS 7 HB3 HIS 7 -4.947 5.266 6.364
62 HD2 HIS 7 HD2 HIS 7 -6.578 3.280 6.483
63 HE1 HIS 7 HE1 HIS 7 -6.723 2.177 2.378
64 HE2 HIS 7 HE2 HIS 7 -7.551 1.604 4.722
65 H LEU 8 H LEU 8 -3.180 7.743 3.930
66 HA LEU 8 HA LEU 8 -2.544 9.236 6.348
67 HB2 LEU 8 HB2 LEU 8 -1.355 9.018 3.557
68 HB3 LEU 8 HB3 LEU 8 -0.849 10.281 4.677
69 HG LEU 8 HG LEU 8 -0.302 8.517 6.376
70 HD11 LEU 8 HD11 LEU 8 -0.656 6.663 3.981
71 HD12 LEU 8 HD12 LEU 8 0.118 6.221 5.520
72 HD13 LEU 8 HD13 LEU 8 -1.608 6.626 5.489
73 HD21 LEU 8 HD21 LEU 8 1.826 7.932 5.229
74 HD22 LEU 8 HD22 LEU 8 1.113 8.418 3.673
75 HD23 LEU 8 HD23 LEU 8 1.379 9.630 4.951
76 H HIS 9 H HIS 9 -3.740 10.020 3.015
77 HA HIS 9 HA HIS 9 -3.837 12.824 3.559
78 HB2 HIS 9 HB2 HIS 9 -4.954 11.025 1.408
79 HB3 HIS 9 HB3 HIS 9 -5.364 12.748 1.468
80 HD2 HIS 9 HD2 HIS 9 -3.937 13.942 -0.308
81 HE1 HIS 9 HE1 HIS 9 -0.158 12.152 0.486
82 HE2 HIS 9 HE2 HIS 9 -1.382 13.916 -0.897
83 H SER 10 H SER 10 -6.066 10.204 4.310
84 HA SER 10 HA SER 10 -8.342 11.940 4.771
85 HB2 SER 10 HB2 SER 10 -7.689 9.135 5.758
86 HB3 SER 10 HB3 SER 10 -9.243 9.967 5.999
87 HG SER 10 HG SER 10 -8.033 9.182 3.567
88 H ARG 11 H ARG 11 -5.387 11.510 6.392
89 HA ARG 11 HA ARG 11 -6.525 12.530 8.954
90 HB2 ARG 11 HB2 ARG 11 -4.043 10.889 8.349
91 HB3 ARG 11 HB3 ARG 11 -4.360 11.665 9.916
92 HG2 ARG 11 HG2 ARG 11 -6.447 10.408 10.167
93 HG3 ARG 11 HG3 ARG 11 -6.232 9.666 8.566
94 HD2 ARG 11 HD2 ARG 11 -4.214 8.518 9.304
95 HD3 ARG 11 HD3 ARG 11 -4.244 9.377 10.850
96 HE ARG 11 HE ARG 11 -5.824 7.908 11.657
97 HH11 ARG 11 HH11 ARG 11 -5.665 7.540 8.136
98 HH12 ARG 11 HH12 ARG 11 -6.733 6.152 8.138
99 HH21 ARG 11 HH21 ARG 11 -7.172 6.089 11.606
100 HH22 ARG 11 HH22 ARG 11 -7.567 5.336 10.076
101 H LEU 12 H LEU 12 -4.634 13.331 6.198
102 HA LEU 12 HA LEU 12 -3.050 15.428 7.431
103 HB2 LEU 12 HB2 LEU 12 -2.359 14.322 5.348
104 HB3 LEU 12 HB3 LEU 12 -3.882 14.803 4.572
105 HG LEU 12 HG LEU 12 -3.214 17.220 4.881
106 HD11 LEU 12 HD11 LEU 12 -1.586 16.915 6.726
107 HD12 LEU 12 HD12 LEU 12 -0.547 15.949 5.658
108 HD13 LEU 12 HD13 LEU 12 -0.820 17.682 5.328
109 HD21 LEU 12 HD21 LEU 12 -2.914 16.040 2.764
110 HD22 LEU 12 HD22 LEU 12 -1.591 17.192 3.046
111 HD23 LEU 12 HD23 LEU 12 -1.326 15.445 3.294
112 H GLN 13 H GLN 13 -6.278 15.102 6.014
113 HA GLN 13 HA GLN 13 -6.712 17.873 5.517
114 HB2 GLN 13 HB2 GLN 13 -9.075 17.203 5.282
115 HB3 GLN 13 HB3 GLN 13 -7.987 16.119 4.392
116 HG2 GLN 13 HG2 GLN 13 -8.104 14.467 6.236
117 HG3 GLN 13 HG3 GLN 13 -9.174 15.545 7.143
118 HE21 GLN 13 HE21 GLN 13 -10.106 13.065 6.734
119 HE22 GLN 13 HE22 GLN 13 -11.362 13.058 5.512
120 H ASP 14 H ASP 14 -8.329 19.246 6.622
121 HA ASP 14 HA ASP 14 -7.803 19.315 9.446
122 HB2 ASP 14 HB2 ASP 14 -9.448 21.077 7.629
123 HB3 ASP 14 HB3 ASP 14 -9.344 21.324 9.372
124 HN1 NH2 15 HN1 NH2 15 -10.004 17.388 7.900
125 HN2 NH2 15 HN2 NH2 15 -11.179 17.261 9.191
Start of MODEL 3
1 H1 TRP 1 H1 TRP 1 2.949 0.602 -2.231
2 H2 TRP 1 H2 TRP 1 4.307 0.445 -1.317
3 H3 TRP 1 H3 TRP 1 3.973 1.882 -2.044
4 HA TRP 1 HA TRP 1 2.396 0.625 0.101
5 HB2 TRP 1 HB2 TRP 1 3.199 2.340 1.541
6 HB3 TRP 1 HB3 TRP 1 4.600 1.586 0.788
7 HD1 TRP 1 HD1 TRP 1 6.082 3.085 -0.806
8 HE1 TRP 1 HE1 TRP 1 6.234 5.595 -1.246
9 HE3 TRP 1 HE3 TRP 1 1.718 4.552 1.404
10 HZ2 TRP 1 HZ2 TRP 1 4.659 7.966 -0.701
11 HZ3 TRP 1 HZ3 TRP 1 1.058 6.941 1.409
12 HH2 TRP 1 HH2 TRP 1 2.517 8.651 0.372
13 H TYR 2 H TYR 2 2.255 2.579 -2.706
14 HA TYR 2 HA TYR 2 0.756 4.726 -1.742
15 HB2 TYR 2 HB2 TYR 2 1.160 3.640 -4.498
16 HB3 TYR 2 HB3 TYR 2 0.038 4.960 -4.191
17 HD1 TYR 2 HD1 TYR 2 0.871 7.024 -2.923
18 HD2 TYR 2 HD2 TYR 2 3.468 4.115 -4.724
19 HE1 TYR 2 HE1 TYR 2 2.715 8.689 -2.938
20 HE2 TYR 2 HE2 TYR 2 5.327 5.765 -4.725
21 HH TYR 2 HH TYR 2 4.895 9.095 -3.486
22 H HIS 3 H HIS 3 -0.470 1.577 -1.895
23 HA HIS 3 HA HIS 3 -3.209 2.315 -2.454
24 HB2 HIS 3 HB2 HIS 3 -3.690 0.077 -1.481
25 HB3 HIS 3 HB3 HIS 3 -2.475 0.044 -2.763
26 HD2 HIS 3 HD2 HIS 3 -3.064 -1.254 0.637
27 HE1 HIS 3 HE1 HIS 3 1.166 -1.379 0.203
28 HE2 HIS 3 HE2 HIS 3 -0.816 -2.174 1.605
29 H ARG 4 H ARG 4 -1.094 2.678 0.268
30 HA ARG 4 HA ARG 4 -3.335 3.093 2.144
31 HB2 ARG 4 HB2 ARG 4 -0.318 3.142 2.549
32 HB3 ARG 4 HB3 ARG 4 -1.537 3.378 3.821
33 HG2 ARG 4 HG2 ARG 4 -2.466 1.123 3.341
34 HG3 ARG 4 HG3 ARG 4 -1.200 0.872 2.117
35 HD2 ARG 4 HD2 ARG 4 0.534 1.176 3.851
36 HD3 ARG 4 HD3 ARG 4 -0.725 1.416 5.072
37 HE ARG 4 HE ARG 4 -1.508 -0.930 4.480
38 HH11 ARG 4 HH11 ARG 4 1.878 0.044 4.099
39 HH12 ARG 4 HH12 ARG 4 2.475 -1.591 4.269
40 HH21 ARG 4 HH21 ARG 4 -0.690 -3.034 4.682
41 HH22 ARG 4 HH22 ARG 4 1.031 -3.326 4.591
42 H LEU 5 H LEU 5 -2.085 4.943 -0.249
43 HA LEU 5 HA LEU 5 -1.222 7.313 1.031
44 HB2 LEU 5 HB2 LEU 5 -0.972 6.807 -1.397
45 HB3 LEU 5 HB3 LEU 5 -2.727 6.937 -1.585
46 HG LEU 5 HG LEU 5 -2.560 9.337 -0.747
47 HD11 LEU 5 HD11 LEU 5 0.410 8.742 -1.194
48 HD12 LEU 5 HD12 LEU 5 -0.286 10.369 -0.994
49 HD13 LEU 5 HD13 LEU 5 -0.355 9.200 0.345
50 HD21 LEU 5 HD21 LEU 5 -1.766 10.183 -2.899
51 HD22 LEU 5 HD22 LEU 5 -1.035 8.604 -3.274
52 HD23 LEU 5 HD23 LEU 5 -2.802 8.757 -3.119
53 H SER 6 H SER 6 -4.497 6.102 0.321
54 HA SER 6 HA SER 6 -5.866 8.535 0.931
55 HB2 SER 6 HB2 SER 6 -6.876 6.707 -0.358
56 HB3 SER 6 HB3 SER 6 -6.772 5.631 1.050
57 HG SER 6 HG SER 6 -8.294 8.010 0.817
58 H HIS 7 H HIS 7 -4.574 5.904 2.958
59 HA HIS 7 HA HIS 7 -6.125 6.582 5.291
60 HB2 HIS 7 HB2 HIS 7 -3.511 5.058 5.013
61 HB3 HIS 7 HB3 HIS 7 -4.537 5.107 6.450
62 HD2 HIS 7 HD2 HIS 7 -6.079 3.062 6.673
63 HE1 HIS 7 HE1 HIS 7 -6.577 2.054 2.576
64 HE2 HIS 7 HE2 HIS 7 -7.164 1.396 4.972
65 H LEU 8 H LEU 8 -3.180 7.857 3.830
66 HA LEU 8 HA LEU 8 -2.412 9.302 6.284
67 HB2 LEU 8 HB2 LEU 8 -1.312 9.091 3.461
68 HB3 LEU 8 HB3 LEU 8 -0.803 10.380 4.562
69 HG LEU 8 HG LEU 8 -0.135 8.666 6.253
70 HD11 LEU 8 HD11 LEU 8 0.276 6.355 5.437
71 HD12 LEU 8 HD12 LEU 8 -1.456 6.730 5.484
72 HD13 LEU 8 HD13 LEU 8 -0.586 6.742 3.929
73 HD21 LEU 8 HD21 LEU 8 1.161 8.489 3.503
74 HD22 LEU 8 HD22 LEU 8 1.461 9.753 4.718
75 HD23 LEU 8 HD23 LEU 8 1.937 8.067 5.044
76 H HIS 9 H HIS 9 -3.678 10.094 2.976
77 HA HIS 9 HA HIS 9 -3.746 12.901 3.547
78 HB2 HIS 9 HB2 HIS 9 -4.865 11.147 1.364
79 HB3 HIS 9 HB3 HIS 9 -5.253 12.873 1.453
80 HD2 HIS 9 HD2 HIS 9 -3.775 14.217 -0.129
81 HE1 HIS 9 HE1 HIS 9 -0.084 12.162 0.351
82 HE2 HIS 9 HE2 HIS 9 -1.246 14.106 -0.809
83 H SER 10 H SER 10 -6.146 10.330 4.094
84 HA SER 10 HA SER 10 -8.312 12.218 4.513
85 HB2 SER 10 HB2 SER 10 -9.519 10.292 5.416
86 HB3 SER 10 HB3 SER 10 -8.744 9.887 3.872
87 HG SER 10 HG SER 10 -7.251 8.717 4.911
88 H ARG 11 H ARG 11 -5.519 11.512 6.295
89 HA ARG 11 HA ARG 11 -6.798 12.417 8.837
90 HB2 ARG 11 HB2 ARG 11 -4.220 10.873 8.359
91 HB3 ARG 11 HB3 ARG 11 -4.827 11.399 9.936
92 HG2 ARG 11 HG2 ARG 11 -6.179 9.429 8.037
93 HG3 ARG 11 HG3 ARG 11 -5.346 9.030 9.549
94 HD2 ARG 11 HD2 ARG 11 -7.900 10.652 9.239
95 HD3 ARG 11 HD3 ARG 11 -7.763 9.013 9.870
96 HE ARG 11 HE ARG 11 -6.321 10.044 11.717
97 HH11 ARG 11 HH11 ARG 11 -8.906 11.852 10.096
98 HH12 ARG 11 HH12 ARG 11 -9.164 12.911 11.462
99 HH21 ARG 11 HH21 ARG 11 -6.677 11.456 13.454
100 HH22 ARG 11 HH22 ARG 11 -7.921 12.684 13.348
101 H LEU 12 H LEU 12 -4.706 13.301 6.253
102 HA LEU 12 HA LEU 12 -3.155 15.278 7.725
103 HB2 LEU 12 HB2 LEU 12 -2.301 14.218 5.679
104 HB3 LEU 12 HB3 LEU 12 -3.716 14.780 4.779
105 HG LEU 12 HG LEU 12 -3.015 17.160 5.227
106 HD11 LEU 12 HD11 LEU 12 -0.662 17.533 5.921
107 HD12 LEU 12 HD12 LEU 12 -1.585 16.739 7.221
108 HD13 LEU 12 HD13 LEU 12 -0.474 15.790 6.217
109 HD21 LEU 12 HD21 LEU 12 -2.544 16.035 3.117
110 HD22 LEU 12 HD22 LEU 12 -1.212 17.130 3.559
111 HD23 LEU 12 HD23 LEU 12 -1.031 15.370 3.782
112 H GLN 13 H GLN 13 -6.231 15.139 5.978
113 HA GLN 13 HA GLN 13 -6.529 17.931 5.526
114 HB2 GLN 13 HB2 GLN 13 -8.879 17.366 5.081
115 HB3 GLN 13 HB3 GLN 13 -7.783 16.219 4.294
116 HG2 GLN 13 HG2 GLN 13 -8.136 14.597 6.117
117 HG3 GLN 13 HG3 GLN 13 -9.213 15.733 6.942
118 HE21 GLN 13 HE21 GLN 13 -10.227 13.276 6.418
119 HE22 GLN 13 HE22 GLN 13 -11.387 13.357 5.106
120 H ASP 14 H ASP 14 -8.121 19.360 6.532
121 HA ASP 14 HA ASP 14 -8.789 20.556 8.269
122 HB2 ASP 14 HB2 ASP 14 -9.816 17.870 9.129
123 HB3 ASP 14 HB3 ASP 14 -10.149 19.353 10.034
124 HN1 NH2 15 HN1 NH2 15 -5.986 19.343 8.536
125 HN2 NH2 15 HN2 NH2 15 -5.577 19.754 10.189
Start of MODEL 4
1 H1 TRP 1 H1 TRP 1 3.044 0.534 -1.995
2 H2 TRP 1 H2 TRP 1 4.336 0.320 -1.005
3 H3 TRP 1 H3 TRP 1 4.082 1.783 -1.712
4 HA TRP 1 HA TRP 1 2.354 0.507 0.303
5 HB2 TRP 1 HB2 TRP 1 3.087 2.169 1.827
6 HB3 TRP 1 HB3 TRP 1 4.519 1.398 1.151
7 HD1 TRP 1 HD1 TRP 1 6.135 2.906 -0.315
8 HE1 TRP 1 HE1 TRP 1 6.377 5.416 -0.675
9 HE3 TRP 1 HE3 TRP 1 1.668 4.417 1.648
10 HZ2 TRP 1 HZ2 TRP 1 4.798 7.803 -0.212
11 HZ3 TRP 1 HZ3 TRP 1 1.056 6.812 1.664
12 HH2 TRP 1 HH2 TRP 1 2.609 8.514 0.739
13 H TYR 2 H TYR 2 2.398 2.532 -2.463
14 HA TYR 2 HA TYR 2 0.901 4.690 -1.528
15 HB2 TYR 2 HB2 TYR 2 1.406 3.644 -4.279
16 HB3 TYR 2 HB3 TYR 2 0.308 4.992 -4.007
17 HD1 TYR 2 HD1 TYR 2 3.754 4.086 -4.399
18 HD2 TYR 2 HD2 TYR 2 1.123 7.000 -2.636
19 HE1 TYR 2 HE1 TYR 2 5.634 5.703 -4.274
20 HE2 TYR 2 HE2 TYR 2 2.995 8.622 -2.512
21 HH TYR 2 HH TYR 2 5.212 9.001 -2.941
22 H HIS 3 H HIS 3 -0.401 1.576 -1.850
23 HA HIS 3 HA HIS 3 -3.091 2.396 -2.501
24 HB2 HIS 3 HB2 HIS 3 -3.668 0.150 -1.597
25 HB3 HIS 3 HB3 HIS 3 -2.403 0.111 -2.831
26 HD2 HIS 3 HD2 HIS 3 -3.166 -1.211 0.543
27 HE1 HIS 3 HE1 HIS 3 1.072 -1.472 0.242
28 HE2 HIS 3 HE2 HIS 3 -0.975 -2.211 1.578
29 H ARG 4 H ARG 4 -1.105 2.658 0.319
30 HA ARG 4 HA ARG 4 -3.410 3.046 2.113
31 HB2 ARG 4 HB2 ARG 4 -0.413 3.107 2.627
32 HB3 ARG 4 HB3 ARG 4 -1.674 3.291 3.864
33 HG2 ARG 4 HG2 ARG 4 -2.553 1.035 3.286
34 HG3 ARG 4 HG3 ARG 4 -1.259 0.853 2.080
35 HD2 ARG 4 HD2 ARG 4 -0.620 -0.287 4.139
36 HD3 ARG 4 HD3 ARG 4 0.441 1.101 3.867
37 HE ARG 4 HE ARG 4 -1.863 1.070 5.791
38 HH11 ARG 4 HH11 ARG 4 1.423 2.119 4.940
39 HH12 ARG 4 HH12 ARG 4 1.642 2.974 6.449
40 HH21 ARG 4 HH21 ARG 4 -1.526 2.207 7.720
41 HH22 ARG 4 HH22 ARG 4 -0.011 3.031 8.004
42 H LEU 5 H LEU 5 -2.013 4.948 -0.178
43 HA LEU 5 HA LEU 5 -1.207 7.289 1.186
44 HB2 LEU 5 HB2 LEU 5 -0.807 6.792 -1.217
45 HB3 LEU 5 HB3 LEU 5 -2.544 6.944 -1.522
46 HG LEU 5 HG LEU 5 -2.397 9.336 -0.661
47 HD11 LEU 5 HD11 LEU 5 -0.288 9.192 0.580
48 HD12 LEU 5 HD12 LEU 5 0.582 8.709 -0.901
49 HD13 LEU 5 HD13 LEU 5 -0.114 10.340 -0.764
50 HD21 LEU 5 HD21 LEU 5 -2.505 8.758 -3.036
51 HD22 LEU 5 HD22 LEU 5 -1.451 10.164 -2.764
52 HD23 LEU 5 HD23 LEU 5 -0.732 8.565 -3.082
53 H SER 6 H SER 6 -4.449 6.111 0.259
54 HA SER 6 HA SER 6 -5.821 8.569 0.760
55 HB2 SER 6 HB2 SER 6 -6.747 6.727 -0.597
56 HB3 SER 6 HB3 SER 6 -6.811 5.692 0.845
57 HG SER 6 HG SER 6 -8.273 7.163 1.756
58 H HIS 7 H HIS 7 -4.562 6.067 2.905
59 HA HIS 7 HA HIS 7 -6.320 6.730 5.117
60 HB2 HIS 7 HB2 HIS 7 -3.711 5.172 5.024
61 HB3 HIS 7 HB3 HIS 7 -4.823 5.246 6.390
62 HD2 HIS 7 HD2 HIS 7 -6.437 3.264 6.546
63 HE1 HIS 7 HE1 HIS 7 -6.635 2.140 2.446
64 HE2 HIS 7 HE2 HIS 7 -7.416 1.564 4.810
65 H LEU 8 H LEU 8 -3.146 7.775 3.911
66 HA LEU 8 HA LEU 8 -2.490 9.264 6.341
67 HB2 LEU 8 HB2 LEU 8 -1.316 9.065 3.543
68 HB3 LEU 8 HB3 LEU 8 -0.807 10.313 4.684
69 HG LEU 8 HG LEU 8 -0.244 8.524 6.354
70 HD11 LEU 8 HD11 LEU 8 -0.643 6.707 3.939
71 HD12 LEU 8 HD12 LEU 8 0.153 6.234 5.464
72 HD13 LEU 8 HD13 LEU 8 -1.568 6.638 5.459
73 HD21 LEU 8 HD21 LEU 8 1.425 9.640 4.941
74 HD22 LEU 8 HD22 LEU 8 1.861 7.937 5.207
75 HD23 LEU 8 HD23 LEU 8 1.158 8.442 3.653
76 H HIS 9 H HIS 9 -3.686 10.071 3.017
77 HA HIS 9 HA HIS 9 -3.759 12.878 3.566
78 HB2 HIS 9 HB2 HIS 9 -4.906 11.107 1.408
79 HB3 HIS 9 HB3 HIS 9 -5.286 12.832 1.480
80 HD2 HIS 9 HD2 HIS 9 -3.834 14.092 -0.214
81 HE1 HIS 9 HE1 HIS 9 -0.104 12.142 0.405
82 HE2 HIS 9 HE2 HIS 9 -1.293 14.013 -0.854
83 H SER 10 H SER 10 -6.025 10.267 4.277
84 HA SER 10 HA SER 10 -8.310 12.004 4.675
85 HB2 SER 10 HB2 SER 10 -8.575 9.629 4.205
86 HB3 SER 10 HB3 SER 10 -7.655 9.212 5.676
87 HG SER 10 HG SER 10 -9.950 9.149 5.958
88 H ARG 11 H ARG 11 -5.426 11.322 6.471
89 HA ARG 11 HA ARG 11 -6.597 12.436 8.968
90 HB2 ARG 11 HB2 ARG 11 -4.043 10.909 8.351
91 HB3 ARG 11 HB3 ARG 11 -4.363 11.675 9.919
92 HG2 ARG 11 HG2 ARG 11 -6.392 10.348 10.210
93 HG3 ARG 11 HG3 ARG 11 -6.174 9.598 8.613
94 HD2 ARG 11 HD2 ARG 11 -4.085 8.562 9.333
95 HD3 ARG 11 HD3 ARG 11 -4.143 9.430 10.875
96 HE ARG 11 HE ARG 11 -5.633 7.882 11.705
97 HH11 ARG 11 HH11 ARG 11 -5.498 7.492 8.181
98 HH12 ARG 11 HH12 ARG 11 -6.485 6.046 8.213
99 HH21 ARG 11 HH21 ARG 11 -6.891 6.007 11.685
100 HH22 ARG 11 HH22 ARG 11 -7.250 5.205 10.174
101 H LEU 12 H LEU 12 -4.564 13.225 6.262
102 HA LEU 12 HA LEU 12 -3.086 15.372 7.517
103 HB2 LEU 12 HB2 LEU 12 -2.336 14.240 5.456
104 HB3 LEU 12 HB3 LEU 12 -3.827 14.736 4.636
105 HG LEU 12 HG LEU 12 -3.149 17.149 4.945
106 HD11 LEU 12 HD11 LEU 12 -0.771 17.598 5.456
107 HD12 LEU 12 HD12 LEU 12 -1.580 16.839 6.842
108 HD13 LEU 12 HD13 LEU 12 -0.511 15.871 5.801
109 HD21 LEU 12 HD21 LEU 12 -2.803 15.954 2.853
110 HD22 LEU 12 HD22 LEU 12 -1.472 17.094 3.169
111 HD23 LEU 12 HD23 LEU 12 -1.228 15.349 3.432
112 H GLN 13 H GLN 13 -6.272 15.067 5.984
113 HA GLN 13 HA GLN 13 -6.629 17.860 5.498
114 HB2 GLN 13 HB2 GLN 13 -8.983 17.224 5.097
115 HB3 GLN 13 HB3 GLN 13 -7.841 16.155 4.255
116 HG2 GLN 13 HG2 GLN 13 -8.097 14.459 6.023
117 HG3 GLN 13 HG3 GLN 13 -9.187 15.529 6.919
118 HE21 GLN 13 HE21 GLN 13 -10.110 13.045 6.347
119 HE22 GLN 13 HE22 GLN 13 -11.312 13.112 5.072
120 H ASP 14 H ASP 14 -6.483 16.225 8.455
121 HA ASP 14 HA ASP 14 -8.565 17.703 9.802
122 HB2 ASP 14 HB2 ASP 14 -6.372 15.887 10.794
123 HB3 ASP 14 HB3 ASP 14 -7.474 16.743 11.875
124 HN1 NH2 15 HN1 NH2 15 -5.738 18.871 8.595
125 HN2 NH2 15 HN2 NH2 15 -5.447 20.144 9.761
Start of MODEL 5
1 H1 TRP 1 H1 TRP 1 3.371 0.774 -1.369
2 H2 TRP 1 H2 TRP 1 4.702 0.825 -0.409
3 H3 TRP 1 H3 TRP 1 4.300 2.138 -1.310
4 HA TRP 1 HA TRP 1 2.748 1.037 0.927
5 HB2 TRP 1 HB2 TRP 1 3.392 2.959 2.172
6 HB3 TRP 1 HB3 TRP 1 4.863 2.221 1.555
7 HD1 TRP 1 HD1 TRP 1 6.279 3.629 -0.210
8 HE1 TRP 1 HE1 TRP 1 6.269 6.077 -0.923
9 HE3 TRP 1 HE3 TRP 1 1.774 5.032 1.762
10 HZ2 TRP 1 HZ2 TRP 1 4.519 8.374 -0.686
11 HZ3 TRP 1 HZ3 TRP 1 0.961 7.355 1.491
12 HH2 TRP 1 HH2 TRP 1 2.318 9.027 0.277
13 H TYR 2 H TYR 2 2.559 2.621 -2.098
14 HA TYR 2 HA TYR 2 0.907 4.773 -1.442
15 HB2 TYR 2 HB2 TYR 2 1.455 3.374 -4.028
16 HB3 TYR 2 HB3 TYR 2 0.258 4.663 -3.920
17 HD1 TYR 2 HD1 TYR 2 0.943 6.907 -2.907
18 HD2 TYR 2 HD2 TYR 2 3.751 3.941 -4.245
19 HE1 TYR 2 HE1 TYR 2 2.701 8.656 -3.074
20 HE2 TYR 2 HE2 TYR 2 5.521 5.677 -4.402
21 HH TYR 2 HH TYR 2 4.879 9.118 -3.617
22 H HIS 3 H HIS 3 -0.119 1.553 -1.242
23 HA HIS 3 HA HIS 3 -2.894 2.041 -1.926
24 HB2 HIS 3 HB2 HIS 3 -3.249 -0.096 -0.732
25 HB3 HIS 3 HB3 HIS 3 -1.996 -0.198 -1.977
26 HD2 HIS 3 HD2 HIS 3 -2.609 -1.126 1.537
27 HE1 HIS 3 HE1 HIS 3 1.636 -1.047 1.219
28 HE2 HIS 3 HE2 HIS 3 -0.325 -1.795 2.659
29 H ARG 4 H ARG 4 -0.861 2.838 0.757
30 HA ARG 4 HA ARG 4 -3.137 3.293 2.577
31 HB2 ARG 4 HB2 ARG 4 -0.149 3.761 2.948
32 HB3 ARG 4 HB3 ARG 4 -1.401 3.918 4.198
33 HG2 ARG 4 HG2 ARG 4 -1.960 1.500 3.896
34 HG3 ARG 4 HG3 ARG 4 -0.623 1.361 2.731
35 HD2 ARG 4 HD2 ARG 4 0.971 2.121 4.467
36 HD3 ARG 4 HD3 ARG 4 -0.353 2.284 5.628
37 HE ARG 4 HE ARG 4 0.920 -0.201 4.696
38 HH11 ARG 4 HH11 ARG 4 -1.842 1.226 6.392
39 HH12 ARG 4 HH12 ARG 4 -2.236 -0.260 7.225
40 HH21 ARG 4 HH21 ARG 4 0.373 -2.112 5.797
41 HH22 ARG 4 HH22 ARG 4 -0.992 -2.133 6.888
42 H LEU 5 H LEU 5 -2.011 4.931 -0.046
43 HA LEU 5 HA LEU 5 -1.357 7.498 0.972
44 HB2 LEU 5 HB2 LEU 5 -0.897 6.764 -1.339
45 HB3 LEU 5 HB3 LEU 5 -2.640 6.680 -1.662
46 HG LEU 5 HG LEU 5 -2.767 9.158 -1.059
47 HD11 LEU 5 HD11 LEU 5 0.265 8.862 -1.292
48 HD12 LEU 5 HD12 LEU 5 -0.612 10.404 -1.277
49 HD13 LEU 5 HD13 LEU 5 -0.640 9.356 0.161
50 HD21 LEU 5 HD21 LEU 5 -1.929 9.894 -3.239
51 HD22 LEU 5 HD22 LEU 5 -1.023 8.367 -3.414
52 HD23 LEU 5 HD23 LEU 5 -2.807 8.355 -3.372
53 H SER 6 H SER 6 -4.538 6.077 0.045
54 HA SER 6 HA SER 6 -5.991 8.529 0.398
55 HB2 SER 6 HB2 SER 6 -6.848 5.613 0.485
56 HB3 SER 6 HB3 SER 6 -7.960 7.004 0.441
57 HG SER 6 HG SER 6 -7.548 6.170 -1.638
58 H HIS 7 H HIS 7 -4.892 5.993 2.616
59 HA HIS 7 HA HIS 7 -6.598 6.770 4.814
60 HB2 HIS 7 HB2 HIS 7 -3.934 5.305 4.794
61 HB3 HIS 7 HB3 HIS 7 -5.077 5.371 6.139
62 HD2 HIS 7 HD2 HIS 7 -6.628 3.326 6.312
63 HE1 HIS 7 HE1 HIS 7 -6.655 2.062 2.255
64 HE2 HIS 7 HE2 HIS 7 -7.483 1.538 4.608
65 H LEU 8 H LEU 8 -3.416 7.692 3.557
66 HA LEU 8 HA LEU 8 -2.557 9.112 5.905
67 HB2 LEU 8 HB2 LEU 8 -1.066 8.060 4.188
68 HB3 LEU 8 HB3 LEU 8 -1.627 9.249 3.008
69 HG LEU 8 HG LEU 8 -0.679 11.080 4.394
70 HD11 LEU 8 HD11 LEU 8 0.306 8.775 6.143
71 HD12 LEU 8 HD12 LEU 8 0.855 10.460 6.269
72 HD13 LEU 8 HD13 LEU 8 -0.833 10.061 6.627
73 HD21 LEU 8 HD21 LEU 8 0.634 9.966 2.620
74 HD22 LEU 8 HD22 LEU 8 1.687 10.480 3.964
75 HD23 LEU 8 HD23 LEU 8 1.212 8.770 3.802
76 H HIS 9 H HIS 9 -3.913 10.136 2.707
77 HA HIS 9 HA HIS 9 -3.909 12.912 3.472
78 HB2 HIS 9 HB2 HIS 9 -5.111 11.339 1.187
79 HB3 HIS 9 HB3 HIS 9 -5.385 13.079 1.393
80 HD2 HIS 9 HD2 HIS 9 -3.771 14.423 -0.104
81 HE1 HIS 9 HE1 HIS 9 -0.259 12.048 0.285
82 HE2 HIS 9 HE2 HIS 9 -1.244 14.163 -0.750
83 H SER 10 H SER 10 -6.113 10.279 4.141
84 HA SER 10 HA SER 10 -8.366 12.026 4.729
85 HB2 SER 10 HB2 SER 10 -7.753 9.151 5.510
86 HB3 SER 10 HB3 SER 10 -9.262 10.009 5.881
87 HG SER 10 HG SER 10 -8.213 9.327 3.354
88 H ARG 11 H ARG 11 -5.380 11.416 6.247
89 HA ARG 11 HA ARG 11 -6.423 12.344 8.883
90 HB2 ARG 11 HB2 ARG 11 -3.975 10.686 8.174
91 HB3 ARG 11 HB3 ARG 11 -4.320 11.314 9.791
92 HG2 ARG 11 HG2 ARG 11 -6.071 9.373 8.218
93 HG3 ARG 11 HG3 ARG 11 -5.016 8.970 9.583
94 HD2 ARG 11 HD2 ARG 11 -7.455 10.787 9.665
95 HD3 ARG 11 HD3 ARG 11 -7.358 9.146 10.302
96 HE ARG 11 HE ARG 11 -6.205 11.592 11.485
97 HH11 ARG 11 HH11 ARG 11 -6.357 8.060 11.545
98 HH12 ARG 11 HH12 ARG 11 -5.771 7.948 13.191
99 HH21 ARG 11 HH21 ARG 11 -5.444 11.417 13.610
100 HH22 ARG 11 HH22 ARG 11 -5.264 9.844 14.357
101 H LEU 12 H LEU 12 -4.670 13.290 6.127
102 HA LEU 12 HA LEU 12 -2.893 15.184 7.418
103 HB2 LEU 12 HB2 LEU 12 -2.428 14.266 5.190
104 HB3 LEU 12 HB3 LEU 12 -3.984 14.871 4.597
105 HG LEU 12 HG LEU 12 -3.186 17.226 5.050
106 HD11 LEU 12 HD11 LEU 12 -0.746 17.554 5.308
107 HD12 LEU 12 HD12 LEU 12 -1.416 16.689 6.701
108 HD13 LEU 12 HD13 LEU 12 -0.520 15.794 5.451
109 HD21 LEU 12 HD21 LEU 12 -3.141 16.223 2.819
110 HD22 LEU 12 HD22 LEU 12 -1.750 17.294 3.063
111 HD23 LEU 12 HD23 LEU 12 -1.534 15.528 3.151
112 H GLN 13 H GLN 13 -6.248 15.128 6.358
113 HA GLN 13 HA GLN 13 -6.557 17.961 6.077
114 HB2 GLN 13 HB2 GLN 13 -8.965 17.405 5.915
115 HB3 GLN 13 HB3 GLN 13 -7.964 16.366 4.883
116 HG2 GLN 13 HG2 GLN 13 -8.075 14.567 6.563
117 HG3 GLN 13 HG3 GLN 13 -9.016 15.602 7.648
118 HE21 GLN 13 HE21 GLN 13 -10.017 13.146 6.945
119 HE22 GLN 13 HE22 GLN 13 -11.385 13.346 5.873
120 H ASP 14 H ASP 14 -6.166 16.090 8.886
121 HA ASP 14 HA ASP 14 -7.148 18.313 10.489
122 HB2 ASP 14 HB2 ASP 14 -8.351 16.756 12.071
123 HB3 ASP 14 HB3 ASP 14 -9.127 17.105 10.525
124 HN1 NH2 15 HN1 NH2 15 -4.558 16.651 9.812
125 HN2 NH2 15 HN2 NH2 15 -3.816 16.535 11.390
Start of MODEL 6
1 H1 TRP 1 H1 TRP 1 3.885 1.228 -1.435
2 H2 TRP 1 H2 TRP 1 2.784 0.010 -1.637
3 H3 TRP 1 H3 TRP 1 4.066 -0.193 -0.633
4 HA TRP 1 HA TRP 1 2.089 0.172 0.641
5 HB2 TRP 1 HB2 TRP 1 2.910 1.875 2.078
6 HB3 TRP 1 HB3 TRP 1 4.300 0.991 1.455
7 HD1 TRP 1 HD1 TRP 1 6.004 2.329 -0.077
8 HE1 TRP 1 HE1 TRP 1 6.381 4.801 -0.555
9 HE3 TRP 1 HE3 TRP 1 1.611 4.178 1.767
10 HZ2 TRP 1 HZ2 TRP 1 4.935 7.296 -0.211
11 HZ3 TRP 1 HZ3 TRP 1 1.132 6.601 1.655
12 HH2 TRP 1 HH2 TRP 1 2.774 8.169 0.665
13 H TYR 2 H TYR 2 2.268 2.044 -2.227
14 HA TYR 2 HA TYR 2 0.857 4.319 -1.437
15 HB2 TYR 2 HB2 TYR 2 1.352 3.106 -4.116
16 HB3 TYR 2 HB3 TYR 2 0.308 4.513 -3.933
17 HD1 TYR 2 HD1 TYR 2 1.224 6.542 -2.626
18 HD2 TYR 2 HD2 TYR 2 3.681 3.428 -4.284
19 HE1 TYR 2 HE1 TYR 2 3.183 8.074 -2.590
20 HE2 TYR 2 HE2 TYR 2 5.641 4.948 -4.255
21 HH TYR 2 HH TYR 2 6.410 7.040 -3.748
22 H HIS 3 H HIS 3 -0.567 1.246 -1.575
23 HA HIS 3 HA HIS 3 -3.223 2.148 -2.288
24 HB2 HIS 3 HB2 HIS 3 -3.906 -0.016 -1.292
25 HB3 HIS 3 HB3 HIS 3 -2.637 -0.184 -2.505
26 HD2 HIS 3 HD2 HIS 3 -3.490 -1.330 0.888
27 HE1 HIS 3 HE1 HIS 3 0.739 -1.737 0.715
28 HE2 HIS 3 HE2 HIS 3 -1.362 -2.366 2.013
29 H ARG 4 H ARG 4 -1.219 2.449 0.518
30 HA ARG 4 HA ARG 4 -3.497 3.019 2.296
31 HB2 ARG 4 HB2 ARG 4 -0.495 3.010 2.796
32 HB3 ARG 4 HB3 ARG 4 -1.746 3.272 4.026
33 HG2 ARG 4 HG2 ARG 4 -2.681 1.021 3.546
34 HG3 ARG 4 HG3 ARG 4 -1.415 0.753 2.330
35 HD2 ARG 4 HD2 ARG 4 -0.773 -0.325 4.423
36 HD3 ARG 4 HD3 ARG 4 0.315 1.026 4.084
37 HE ARG 4 HE ARG 4 -0.512 2.178 5.941
38 HH11 ARG 4 HH11 ARG 4 -2.506 -0.693 5.334
39 HH12 ARG 4 HH12 ARG 4 -3.338 -0.564 6.863
40 HH21 ARG 4 HH21 ARG 4 -1.629 2.312 7.906
41 HH22 ARG 4 HH22 ARG 4 -2.834 1.114 8.322
42 H LEU 5 H LEU 5 -1.953 4.744 -0.070
43 HA LEU 5 HA LEU 5 -1.141 7.140 1.210
44 HB2 LEU 5 HB2 LEU 5 -0.643 6.512 -1.141
45 HB3 LEU 5 HB3 LEU 5 -2.357 6.691 -1.537
46 HG LEU 5 HG LEU 5 -2.190 9.124 -0.789
47 HD11 LEU 5 HD11 LEU 5 -0.120 8.974 0.534
48 HD12 LEU 5 HD12 LEU 5 0.775 8.429 -0.907
49 HD13 LEU 5 HD13 LEU 5 0.112 10.078 -0.843
50 HD21 LEU 5 HD21 LEU 5 -2.202 8.411 -3.145
51 HD22 LEU 5 HD22 LEU 5 -1.152 9.824 -2.894
52 HD23 LEU 5 HD23 LEU 5 -0.435 8.203 -3.095
53 H SER 6 H SER 6 -4.356 5.978 0.222
54 HA SER 6 HA SER 6 -5.733 8.462 0.482
55 HB2 SER 6 HB2 SER 6 -6.649 6.509 -0.704
56 HB3 SER 6 HB3 SER 6 -6.691 5.590 0.812
57 HG SER 6 HG SER 6 -8.707 6.527 0.314
58 H HIS 7 H HIS 7 -4.589 6.113 2.876
59 HA HIS 7 HA HIS 7 -6.339 7.062 4.983
60 HB2 HIS 7 HB2 HIS 7 -3.783 5.422 5.099
61 HB3 HIS 7 HB3 HIS 7 -4.915 5.673 6.430
62 HD2 HIS 7 HD2 HIS 7 -6.602 3.759 6.737
63 HE1 HIS 7 HE1 HIS 7 -6.757 2.248 2.763
64 HE2 HIS 7 HE2 HIS 7 -7.609 1.938 5.145
65 H LEU 8 H LEU 8 -3.036 7.797 3.828
66 HA LEU 8 HA LEU 8 -2.337 9.431 6.120
67 HB2 LEU 8 HB2 LEU 8 -1.232 9.055 3.313
68 HB3 LEU 8 HB3 LEU 8 -0.654 10.352 4.358
69 HG LEU 8 HG LEU 8 -0.100 8.652 6.122
70 HD11 LEU 8 HD11 LEU 8 -0.617 6.707 3.828
71 HD12 LEU 8 HD12 LEU 8 0.195 6.297 5.352
72 HD13 LEU 8 HD13 LEU 8 -1.517 6.767 5.364
73 HD21 LEU 8 HD21 LEU 8 1.562 9.620 4.580
74 HD22 LEU 8 HD22 LEU 8 1.950 7.918 4.943
75 HD23 LEU 8 HD23 LEU 8 1.202 8.357 3.385
76 H HIS 9 H HIS 9 -3.555 10.110 2.783
77 HA HIS 9 HA HIS 9 -3.606 12.947 3.255
78 HB2 HIS 9 HB2 HIS 9 -4.678 11.137 1.082
79 HB3 HIS 9 HB3 HIS 9 -4.999 12.874 1.091
80 HD2 HIS 9 HD2 HIS 9 -3.406 14.044 -0.536
81 HE1 HIS 9 HE1 HIS 9 0.188 11.913 0.271
82 HE2 HIS 9 HE2 HIS 9 -0.851 13.818 -1.070
83 H SER 10 H SER 10 -5.757 10.425 4.228
84 HA SER 10 HA SER 10 -8.082 12.201 4.435
85 HB2 SER 10 HB2 SER 10 -8.425 9.815 4.057
86 HB3 SER 10 HB3 SER 10 -7.490 9.416 5.515
87 HG SER 10 HG SER 10 -9.780 9.429 5.836
88 H ARG 11 H ARG 11 -5.467 10.949 6.529
89 HA ARG 11 HA ARG 11 -6.529 12.242 8.921
90 HB2 ARG 11 HB2 ARG 11 -3.901 10.860 8.277
91 HB3 ARG 11 HB3 ARG 11 -4.303 11.526 9.870
92 HG2 ARG 11 HG2 ARG 11 -6.275 10.070 10.023
93 HG3 ARG 11 HG3 ARG 11 -5.940 9.413 8.406
94 HD2 ARG 11 HD2 ARG 11 -3.762 8.561 9.190
95 HD3 ARG 11 HD3 ARG 11 -4.060 9.237 10.797
96 HE ARG 11 HE ARG 11 -5.436 6.912 9.548
97 HH11 ARG 11 HH11 ARG 11 -4.973 8.993 12.382
98 HH12 ARG 11 HH12 ARG 11 -5.786 7.883 13.460
99 HH21 ARG 11 HH21 ARG 11 -6.467 5.491 11.000
100 HH22 ARG 11 HH22 ARG 11 -6.619 5.926 12.691
101 H LEU 12 H LEU 12 -4.808 13.324 6.184
102 HA LEU 12 HA LEU 12 -3.231 15.397 7.432
103 HB2 LEU 12 HB2 LEU 12 -2.725 14.488 5.208
104 HB3 LEU 12 HB3 LEU 12 -4.338 14.945 4.634
105 HG LEU 12 HG LEU 12 -3.752 17.365 5.017
106 HD11 LEU 12 HD11 LEU 12 -1.354 17.927 5.236
107 HD12 LEU 12 HD12 LEU 12 -1.909 17.020 6.658
108 HD13 LEU 12 HD13 LEU 12 -0.964 16.196 5.400
109 HD21 LEU 12 HD21 LEU 12 -3.644 16.315 2.817
110 HD22 LEU 12 HD22 LEU 12 -2.344 17.510 3.015
111 HD23 LEU 12 HD23 LEU 12 -1.974 15.772 3.137
112 H GLN 13 H GLN 13 -6.613 15.033 6.598
113 HA GLN 13 HA GLN 13 -7.147 17.806 6.101
114 HB2 GLN 13 HB2 GLN 13 -9.062 15.570 6.886
115 HB3 GLN 13 HB3 GLN 13 -9.490 17.096 6.096
116 HG2 GLN 13 HG2 GLN 13 -7.767 14.866 4.940
117 HG3 GLN 13 HG3 GLN 13 -9.413 15.279 4.452
118 HE21 GLN 13 HE21 GLN 13 -6.928 15.169 2.842
119 HE22 GLN 13 HE22 GLN 13 -6.756 16.756 2.129
120 H ASP 14 H ASP 14 -6.510 16.153 9.015
121 HA ASP 14 HA ASP 14 -7.461 18.456 10.531
122 HB2 ASP 14 HB2 ASP 14 -8.539 16.971 12.269
123 HB3 ASP 14 HB3 ASP 14 -9.405 17.232 10.761
124 HN1 NH2 15 HN1 NH2 15 -4.882 16.732 9.836
125 HN2 NH2 15 HN2 NH2 15 -4.059 16.766 11.382
Start of MODEL 7
1 H1 TRP 1 H1 TRP 1 3.010 0.377 -1.993
2 H2 TRP 1 H2 TRP 1 4.339 0.240 -1.038
3 H3 TRP 1 H3 TRP 1 4.042 1.654 -1.827
4 HA TRP 1 HA TRP 1 2.406 0.475 0.314
5 HB2 TRP 1 HB2 TRP 1 3.194 2.221 1.733
6 HB3 TRP 1 HB3 TRP 1 4.608 1.431 1.037
7 HD1 TRP 1 HD1 TRP 1 6.136 2.888 -0.590
8 HE1 TRP 1 HE1 TRP 1 6.324 5.372 -1.067
9 HE3 TRP 1 HE3 TRP 1 1.753 4.441 1.533
10 HZ2 TRP 1 HZ2 TRP 1 4.749 7.774 -0.619
11 HZ3 TRP 1 HZ3 TRP 1 1.116 6.833 1.472
12 HH2 TRP 1 HH2 TRP 1 2.609 8.504 0.406
13 H TYR 2 H TYR 2 2.341 2.357 -2.545
14 HA TYR 2 HA TYR 2 0.854 4.555 -1.659
15 HB2 TYR 2 HB2 TYR 2 1.300 3.396 -4.372
16 HB3 TYR 2 HB3 TYR 2 0.184 4.735 -4.125
17 HD1 TYR 2 HD1 TYR 2 3.630 3.849 -4.578
18 HD2 TYR 2 HD2 TYR 2 1.021 6.828 -2.890
19 HE1 TYR 2 HE1 TYR 2 5.490 5.481 -4.601
20 HE2 TYR 2 HE2 TYR 2 2.886 8.470 -2.916
21 HH TYR 2 HH TYR 2 6.151 7.619 -4.107
22 H HIS 3 H HIS 3 -0.403 1.424 -1.771
23 HA HIS 3 HA HIS 3 -3.126 2.161 -2.405
24 HB2 HIS 3 HB2 HIS 3 -3.640 -0.049 -1.372
25 HB3 HIS 3 HB3 HIS 3 -2.401 -0.132 -2.632
26 HD2 HIS 3 HD2 HIS 3 -3.082 -1.312 0.789
27 HE1 HIS 3 HE1 HIS 3 1.160 -1.470 0.473
28 HE2 HIS 3 HE2 HIS 3 -0.858 -2.220 1.843
29 H ARG 4 H ARG 4 -1.073 2.589 0.353
30 HA ARG 4 HA ARG 4 -3.352 3.022 2.185
31 HB2 ARG 4 HB2 ARG 4 -0.344 3.139 2.639
32 HB3 ARG 4 HB3 ARG 4 -1.588 3.351 3.885
33 HG2 ARG 4 HG2 ARG 4 -2.440 1.050 3.387
34 HG3 ARG 4 HG3 ARG 4 -1.145 0.860 2.187
35 HD2 ARG 4 HD2 ARG 4 -0.468 -0.196 4.275
36 HD3 ARG 4 HD3 ARG 4 0.553 1.215 3.958
37 HE ARG 4 HE ARG 4 -1.739 1.138 5.900
38 HH11 ARG 4 HH11 ARG 4 1.451 2.390 4.965
39 HH12 ARG 4 HH12 ARG 4 1.610 3.341 6.422
40 HH21 ARG 4 HH21 ARG 4 -1.468 2.370 7.778
41 HH22 ARG 4 HH22 ARG 4 -0.020 3.321 8.005
42 H LEU 5 H LEU 5 -2.065 4.841 -0.222
43 HA LEU 5 HA LEU 5 -1.207 7.224 1.032
44 HB2 LEU 5 HB2 LEU 5 -0.917 6.654 -1.371
45 HB3 LEU 5 HB3 LEU 5 -2.670 6.811 -1.599
46 HG LEU 5 HG LEU 5 -2.455 9.220 -0.806
47 HD11 LEU 5 HD11 LEU 5 0.505 8.574 -1.198
48 HD12 LEU 5 HD12 LEU 5 -0.169 10.205 -1.010
49 HD13 LEU 5 HD13 LEU 5 -0.269 9.050 0.335
50 HD21 LEU 5 HD21 LEU 5 -2.663 8.597 -3.172
51 HD22 LEU 5 HD22 LEU 5 -1.594 10.004 -2.962
52 HD23 LEU 5 HD23 LEU 5 -0.895 8.396 -3.282
53 H SER 6 H SER 6 -4.482 6.026 0.302
54 HA SER 6 HA SER 6 -5.832 8.498 0.835
55 HB2 SER 6 HB2 SER 6 -6.817 6.661 -0.468
56 HB3 SER 6 HB3 SER 6 -6.821 5.620 0.973
57 HG SER 6 HG SER 6 -8.251 7.044 1.948
58 H HIS 7 H HIS 7 -4.520 5.959 2.935
59 HA HIS 7 HA HIS 7 -6.164 6.635 5.214
60 HB2 HIS 7 HB2 HIS 7 -3.546 5.108 5.010
61 HB3 HIS 7 HB3 HIS 7 -4.587 5.185 6.433
62 HD2 HIS 7 HD2 HIS 7 -6.091 3.137 6.685
63 HE1 HIS 7 HE1 HIS 7 -6.601 2.066 2.592
64 HE2 HIS 7 HE2 HIS 7 -7.170 1.430 5.000
65 H LEU 8 H LEU 8 -3.173 7.847 3.818
66 HA LEU 8 HA LEU 8 -2.453 9.355 6.249
67 HB2 LEU 8 HB2 LEU 8 -1.276 9.033 3.470
68 HB3 LEU 8 HB3 LEU 8 -0.785 10.356 4.529
69 HG LEU 8 HG LEU 8 -0.154 8.719 6.295
70 HD11 LEU 8 HD11 LEU 8 -0.666 6.680 4.087
71 HD12 LEU 8 HD12 LEU 8 0.202 6.351 5.606
72 HD13 LEU 8 HD13 LEU 8 -1.515 6.778 5.658
73 HD21 LEU 8 HD21 LEU 8 1.156 8.361 3.568
74 HD22 LEU 8 HD22 LEU 8 1.475 9.678 4.723
75 HD23 LEU 8 HD23 LEU 8 1.906 8.004 5.141
76 H HIS 9 H HIS 9 -3.632 10.050 2.887
77 HA HIS 9 HA HIS 9 -3.679 12.874 3.372
78 HB2 HIS 9 HB2 HIS 9 -4.730 11.072 1.198
79 HB3 HIS 9 HB3 HIS 9 -5.112 12.805 1.229
80 HD2 HIS 9 HD2 HIS 9 -3.549 14.145 -0.279
81 HE1 HIS 9 HE1 HIS 9 0.085 12.019 0.307
82 HE2 HIS 9 HE2 HIS 9 -0.997 13.993 -0.869
83 H SER 10 H SER 10 -6.040 10.367 4.104
84 HA SER 10 HA SER 10 -8.221 12.303 4.365
85 HB2 SER 10 HB2 SER 10 -9.459 10.425 5.316
86 HB3 SER 10 HB3 SER 10 -8.695 9.965 3.785
87 HG SER 10 HG SER 10 -7.250 8.773 4.836
88 H ARG 11 H ARG 11 -5.504 11.356 6.277
89 HA ARG 11 HA ARG 11 -6.773 12.417 8.752
90 HB2 ARG 11 HB2 ARG 11 -4.191 10.868 8.280
91 HB3 ARG 11 HB3 ARG 11 -4.752 11.458 9.858
92 HG2 ARG 11 HG2 ARG 11 -6.198 9.455 8.073
93 HG3 ARG 11 HG3 ARG 11 -5.285 9.069 9.538
94 HD2 ARG 11 HD2 ARG 11 -7.814 10.756 9.384
95 HD3 ARG 11 HD3 ARG 11 -7.685 9.101 10.002
96 HE ARG 11 HE ARG 11 -6.071 10.107 11.726
97 HH11 ARG 11 HH11 ARG 11 -8.810 11.899 10.357
98 HH12 ARG 11 HH12 ARG 11 -8.941 12.955 11.744
99 HH21 ARG 11 HH21 ARG 11 -6.293 11.500 13.512
100 HH22 ARG 11 HH22 ARG 11 -7.544 12.721 13.517
101 H LEU 12 H LEU 12 -4.854 13.393 6.140
102 HA LEU 12 HA LEU 12 -3.162 15.292 7.515
103 HB2 LEU 12 HB2 LEU 12 -2.584 14.370 5.306
104 HB3 LEU 12 HB3 LEU 12 -4.114 14.970 4.643
105 HG LEU 12 HG LEU 12 -3.344 17.324 5.106
106 HD11 LEU 12 HD11 LEU 12 -1.651 16.818 6.838
107 HD12 LEU 12 HD12 LEU 12 -0.705 15.892 5.651
108 HD13 LEU 12 HD13 LEU 12 -0.903 17.649 5.459
109 HD21 LEU 12 HD21 LEU 12 -1.616 15.604 3.299
110 HD22 LEU 12 HD22 LEU 12 -3.198 16.317 2.892
111 HD23 LEU 12 HD23 LEU 12 -1.800 17.369 3.198
112 H GLN 13 H GLN 13 -6.499 15.211 6.473
113 HA GLN 13 HA GLN 13 -6.839 17.984 5.933
114 HB2 GLN 13 HB2 GLN 13 -8.919 15.960 6.857
115 HB3 GLN 13 HB3 GLN 13 -9.233 17.479 6.004
116 HG2 GLN 13 HG2 GLN 13 -7.756 15.044 4.926
117 HG3 GLN 13 HG3 GLN 13 -9.357 15.596 4.444
118 HE21 GLN 13 HE21 GLN 13 -6.888 15.190 2.830
119 HE22 GLN 13 HE22 GLN 13 -6.577 16.727 2.049
120 H ASP 14 H ASP 14 -8.016 19.567 7.185
121 HA ASP 14 HA ASP 14 -8.197 20.860 8.963
122 HB2 ASP 14 HB2 ASP 14 -9.276 18.308 10.123
123 HB3 ASP 14 HB3 ASP 14 -9.275 19.830 11.024
124 HN1 NH2 15 HN1 NH2 15 -5.508 19.357 8.737
125 HN2 NH2 15 HN2 NH2 15 -4.751 19.779 10.254
Start of MODEL 8
1 H1 TRP 1 H1 TRP 1 4.092 -0.280 -0.481
2 H2 TRP 1 H2 TRP 1 3.927 1.147 -1.278
3 H3 TRP 1 H3 TRP 1 2.846 -0.072 -1.530
4 HA TRP 1 HA TRP 1 2.058 0.070 0.719
5 HB2 TRP 1 HB2 TRP 1 2.830 1.768 2.200
6 HB3 TRP 1 HB3 TRP 1 4.242 0.890 1.622
7 HD1 TRP 1 HD1 TRP 1 5.994 2.249 0.153
8 HE1 TRP 1 HE1 TRP 1 6.376 4.726 -0.309
9 HE3 TRP 1 HE3 TRP 1 1.535 4.079 1.854
10 HZ2 TRP 1 HZ2 TRP 1 4.929 7.208 0.002
11 HZ3 TRP 1 HZ3 TRP 1 1.060 6.505 1.738
12 HH2 TRP 1 HH2 TRP 1 2.741 8.072 0.822
13 H TYR 2 H TYR 2 2.335 1.950 -2.134
14 HA TYR 2 HA TYR 2 0.938 4.243 -1.385
15 HB2 TYR 2 HB2 TYR 2 1.483 3.010 -4.045
16 HB3 TYR 2 HB3 TYR 2 0.455 4.437 -3.889
17 HD1 TYR 2 HD1 TYR 2 1.363 6.457 -2.561
18 HD2 TYR 2 HD2 TYR 2 3.837 3.306 -4.131
19 HE1 TYR 2 HE1 TYR 2 3.333 7.961 -2.455
20 HE2 TYR 2 HE2 TYR 2 5.813 4.807 -4.033
21 HH TYR 2 HH TYR 2 6.589 6.889 -3.503
22 H HIS 3 H HIS 3 -0.533 1.199 -1.577
23 HA HIS 3 HA HIS 3 -3.153 2.149 -2.379
24 HB2 HIS 3 HB2 HIS 3 -3.905 -0.020 -1.433
25 HB3 HIS 3 HB3 HIS 3 -2.596 -0.182 -2.609
26 HD2 HIS 3 HD2 HIS 3 -3.580 -1.353 0.749
27 HE1 HIS 3 HE1 HIS 3 0.637 -1.884 0.666
28 HE2 HIS 3 HE2 HIS 3 -1.506 -2.463 1.909
29 H ARG 4 H ARG 4 -1.250 2.405 0.500
30 HA ARG 4 HA ARG 4 -3.597 3.002 2.193
31 HB2 ARG 4 HB2 ARG 4 -0.631 2.874 2.845
32 HB3 ARG 4 HB3 ARG 4 -1.944 3.149 4.008
33 HG2 ARG 4 HG2 ARG 4 -2.924 0.938 3.422
34 HG3 ARG 4 HG3 ARG 4 -1.600 0.658 2.278
35 HD2 ARG 4 HD2 ARG 4 -1.120 -0.494 4.377
36 HD3 ARG 4 HD3 ARG 4 0.038 0.814 4.125
37 HE ARG 4 HE ARG 4 -0.847 1.971 5.951
38 HH11 ARG 4 HH11 ARG 4 -2.879 -0.826 5.193
39 HH12 ARG 4 HH12 ARG 4 -3.790 -0.704 6.681
40 HH21 ARG 4 HH21 ARG 4 -2.046 2.092 7.878
41 HH22 ARG 4 HH22 ARG 4 -3.320 0.933 8.189
42 H LEU 5 H LEU 5 -1.937 4.699 -0.084
43 HA LEU 5 HA LEU 5 -1.053 7.048 1.229
44 HB2 LEU 5 HB2 LEU 5 -0.536 6.483 -1.113
45 HB3 LEU 5 HB3 LEU 5 -2.253 6.596 -1.531
46 HG LEU 5 HG LEU 5 -2.204 9.022 -0.798
47 HD11 LEU 5 HD11 LEU 5 0.797 8.455 -0.804
48 HD12 LEU 5 HD12 LEU 5 0.070 10.077 -0.786
49 HD13 LEU 5 HD13 LEU 5 -0.185 8.982 0.591
50 HD21 LEU 5 HD21 LEU 5 -1.131 9.780 -2.874
51 HD22 LEU 5 HD22 LEU 5 -0.333 8.197 -3.052
52 HD23 LEU 5 HD23 LEU 5 -2.106 8.324 -3.161
53 H SER 6 H SER 6 -4.321 6.074 0.136
54 HA SER 6 HA SER 6 -5.514 8.647 0.495
55 HB2 SER 6 HB2 SER 6 -6.660 5.832 0.532
56 HB3 SER 6 HB3 SER 6 -7.642 7.313 0.481
57 HG SER 6 HG SER 6 -6.722 7.825 -1.484
58 H HIS 7 H HIS 7 -4.595 6.125 2.788
59 HA HIS 7 HA HIS 7 -6.414 7.003 4.872
60 HB2 HIS 7 HB2 HIS 7 -3.882 5.326 5.004
61 HB3 HIS 7 HB3 HIS 7 -5.047 5.549 6.312
62 HD2 HIS 7 HD2 HIS 7 -6.740 3.634 6.519
63 HE1 HIS 7 HE1 HIS 7 -6.862 2.289 2.484
64 HE2 HIS 7 HE2 HIS 7 -7.753 1.895 4.846
65 H LEU 8 H LEU 8 -3.046 7.717 3.884
66 HA LEU 8 HA LEU 8 -2.441 9.325 6.219
67 HB2 LEU 8 HB2 LEU 8 -1.229 9.016 3.445
68 HB3 LEU 8 HB3 LEU 8 -0.689 10.263 4.569
69 HG LEU 8 HG LEU 8 -0.207 8.486 6.275
70 HD11 LEU 8 HD11 LEU 8 0.129 6.175 5.438
71 HD12 LEU 8 HD12 LEU 8 -1.582 6.630 5.416
72 HD13 LEU 8 HD13 LEU 8 -0.643 6.623 3.902
73 HD21 LEU 8 HD21 LEU 8 1.497 9.533 4.833
74 HD22 LEU 8 HD22 LEU 8 1.894 7.829 5.152
75 HD23 LEU 8 HD23 LEU 8 1.201 8.301 3.581
76 H HIS 9 H HIS 9 -3.563 10.028 2.854
77 HA HIS 9 HA HIS 9 -3.651 12.853 3.313
78 HB2 HIS 9 HB2 HIS 9 -4.756 10.996 1.196
79 HB3 HIS 9 HB3 HIS 9 -5.124 12.726 1.190
80 HD2 HIS 9 HD2 HIS 9 -3.631 13.872 -0.553
81 HE1 HIS 9 HE1 HIS 9 0.063 11.933 0.269
82 HE2 HIS 9 HE2 HIS 9 -1.086 13.727 -1.142
83 H SER 10 H SER 10 -5.828 10.311 4.291
84 HA SER 10 HA SER 10 -8.127 12.093 4.571
85 HB2 SER 10 HB2 SER 10 -7.503 9.336 5.697
86 HB3 SER 10 HB3 SER 10 -9.025 10.211 5.952
87 HG SER 10 HG SER 10 -7.933 9.338 3.500
88 H ARG 11 H ARG 11 -5.332 11.108 6.511
89 HA ARG 11 HA ARG 11 -6.367 12.329 8.958
90 HB2 ARG 11 HB2 ARG 11 -3.695 11.120 8.152
91 HB3 ARG 11 HB3 ARG 11 -4.020 11.801 9.761
92 HG2 ARG 11 HG2 ARG 11 -5.854 10.202 10.101
93 HG3 ARG 11 HG3 ARG 11 -5.611 9.544 8.470
94 HD2 ARG 11 HD2 ARG 11 -3.309 8.881 9.080
95 HD3 ARG 11 HD3 ARG 11 -3.544 9.544 10.708
96 HE ARG 11 HE ARG 11 -4.782 7.090 9.577
97 HH11 ARG 11 HH11 ARG 11 -4.407 9.288 12.328
98 HH12 ARG 11 HH12 ARG 11 -5.050 8.141 13.477
99 HH21 ARG 11 HH21 ARG 11 -5.609 5.626 11.093
100 HH22 ARG 11 HH22 ARG 11 -5.721 6.073 12.784
101 H LEU 12 H LEU 12 -4.731 13.427 6.126
102 HA LEU 12 HA LEU 12 -3.235 15.594 7.260
103 HB2 LEU 12 HB2 LEU 12 -2.827 14.685 5.002
104 HB3 LEU 12 HB3 LEU 12 -4.470 15.112 4.518
105 HG LEU 12 HG LEU 12 -3.906 17.549 4.907
106 HD11 LEU 12 HD11 LEU 12 -1.993 17.228 6.436
107 HD12 LEU 12 HD12 LEU 12 -1.087 16.404 5.138
108 HD13 LEU 12 HD13 LEU 12 -1.505 18.128 4.984
109 HD21 LEU 12 HD21 LEU 12 -3.902 16.532 2.679
110 HD22 LEU 12 HD22 LEU 12 -2.617 17.747 2.832
111 HD23 LEU 12 HD23 LEU 12 -2.214 16.009 2.904
112 H GLN 13 H GLN 13 -6.638 15.125 6.521
113 HA GLN 13 HA GLN 13 -7.305 17.881 6.170
114 HB2 GLN 13 HB2 GLN 13 -9.024 15.492 6.935
115 HB3 GLN 13 HB3 GLN 13 -9.631 17.066 6.383
116 HG2 GLN 13 HG2 GLN 13 -8.446 16.769 4.226
117 HG3 GLN 13 HG3 GLN 13 -7.836 15.199 4.770
118 HE21 GLN 13 HE21 GLN 13 -9.070 14.874 2.537
119 HE22 GLN 13 HE22 GLN 13 -10.723 14.313 2.717
120 H ASP 14 H ASP 14 -6.355 16.224 8.985
121 HA ASP 14 HA ASP 14 -8.123 17.524 10.885
122 HB2 ASP 14 HB2 ASP 14 -6.851 15.326 11.164
123 HB3 ASP 14 HB3 ASP 14 -5.365 16.272 11.283
124 HN1 NH2 15 HN1 NH2 15 -5.506 18.595 8.923
125 HN2 NH2 15 HN2 NH2 15 -5.053 20.003 9.859
Start of MODEL 9
1 H1 TRP 1 H1 TRP 1 2.720 -0.072 -1.678
2 H2 TRP 1 H2 TRP 1 3.992 -0.311 -0.674
3 H3 TRP 1 H3 TRP 1 3.839 1.126 -1.463
4 HA TRP 1 HA TRP 1 2.024 0.072 0.603
5 HB2 TRP 1 HB2 TRP 1 2.850 1.775 2.038
6 HB3 TRP 1 HB3 TRP 1 4.233 0.869 1.439
7 HD1 TRP 1 HD1 TRP 1 5.979 2.178 -0.084
8 HE1 TRP 1 HE1 TRP 1 6.390 4.634 -0.579
9 HE3 TRP 1 HE3 TRP 1 1.591 4.093 1.705
10 HZ2 TRP 1 HZ2 TRP 1 4.963 7.146 -0.291
11 HZ3 TRP 1 HZ3 TRP 1 1.135 6.519 1.559
12 HH2 TRP 1 HH2 TRP 1 2.813 8.056 0.569
13 H TYR 2 H TYR 2 2.213 1.940 -2.261
14 HA TYR 2 HA TYR 2 0.864 4.240 -1.460
15 HB2 TYR 2 HB2 TYR 2 1.294 3.004 -4.148
16 HB3 TYR 2 HB3 TYR 2 0.290 4.432 -3.955
17 HD1 TYR 2 HD1 TYR 2 3.648 3.275 -4.334
18 HD2 TYR 2 HD2 TYR 2 1.270 6.450 -2.657
19 HE1 TYR 2 HE1 TYR 2 5.640 4.752 -4.307
20 HE2 TYR 2 HE2 TYR 2 3.263 7.932 -2.642
21 HH TYR 2 HH TYR 2 6.466 6.819 -3.792
22 H HIS 3 H HIS 3 -0.644 1.218 -1.593
23 HA HIS 3 HA HIS 3 -3.285 2.178 -2.281
24 HB2 HIS 3 HB2 HIS 3 -4.002 0.015 -1.279
25 HB3 HIS 3 HB3 HIS 3 -2.741 -0.161 -2.504
26 HD2 HIS 3 HD2 HIS 3 -3.588 -1.300 0.897
27 HE1 HIS 3 HE1 HIS 3 0.626 -1.812 0.672
28 HE2 HIS 3 HE2 HIS 3 -1.468 -2.385 1.995
29 H ARG 4 H ARG 4 -1.274 2.389 0.538
30 HA ARG 4 HA ARG 4 -3.548 3.009 2.305
31 HB2 ARG 4 HB2 ARG 4 -0.547 2.923 2.816
32 HB3 ARG 4 HB3 ARG 4 -1.787 3.238 4.040
33 HG2 ARG 4 HG2 ARG 4 -2.807 1.016 3.556
34 HG3 ARG 4 HG3 ARG 4 -1.497 0.700 2.384
35 HD2 ARG 4 HD2 ARG 4 0.174 0.952 4.179
36 HD3 ARG 4 HD3 ARG 4 -1.115 1.293 5.343
37 HE ARG 4 HE ARG 4 -1.987 -1.022 4.824
38 HH11 ARG 4 HH11 ARG 4 1.452 -0.256 4.447
39 HH12 ARG 4 HH12 ARG 4 1.954 -1.919 4.651
40 HH21 ARG 4 HH21 ARG 4 -1.291 -3.166 5.082
41 HH22 ARG 4 HH22 ARG 4 0.413 -3.552 5.007
42 H LEU 5 H LEU 5 -1.939 4.715 -0.046
43 HA LEU 5 HA LEU 5 -1.123 7.108 1.226
44 HB2 LEU 5 HB2 LEU 5 -0.590 6.466 -1.105
45 HB3 LEU 5 HB3 LEU 5 -2.298 6.616 -1.531
46 HG LEU 5 HG LEU 5 -2.166 9.068 -0.820
47 HD11 LEU 5 HD11 LEU 5 0.814 8.401 -0.861
48 HD12 LEU 5 HD12 LEU 5 0.138 10.039 -0.838
49 HD13 LEU 5 HD13 LEU 5 -0.132 8.955 0.546
50 HD21 LEU 5 HD21 LEU 5 -2.150 8.340 -3.160
51 HD22 LEU 5 HD22 LEU 5 -1.096 9.752 -2.920
52 HD23 LEU 5 HD23 LEU 5 -0.378 8.131 -3.094
53 H SER 6 H SER 6 -4.337 5.957 0.228
54 HA SER 6 HA SER 6 -5.701 8.446 0.450
55 HB2 SER 6 HB2 SER 6 -6.629 6.498 -0.713
56 HB3 SER 6 HB3 SER 6 -6.654 5.577 0.801
57 HG SER 6 HG SER 6 -8.130 7.927 0.207
58 H HIS 7 H HIS 7 -4.588 6.122 2.892
59 HA HIS 7 HA HIS 7 -6.341 7.139 4.978
60 HB2 HIS 7 HB2 HIS 7 -3.832 5.438 5.128
61 HB3 HIS 7 HB3 HIS 7 -4.975 5.736 6.446
62 HD2 HIS 7 HD2 HIS 7 -6.729 3.891 6.763
63 HE1 HIS 7 HE1 HIS 7 -6.851 2.293 2.823
64 HE2 HIS 7 HE2 HIS 7 -7.760 2.061 5.200
65 H LEU 8 H LEU 8 -3.010 7.764 3.829
66 HA LEU 8 HA LEU 8 -2.255 9.395 6.095
67 HB2 LEU 8 HB2 LEU 8 -1.208 9.022 3.263
68 HB3 LEU 8 HB3 LEU 8 -0.591 10.300 4.322
69 HG LEU 8 HG LEU 8 -0.034 8.572 6.048
70 HD11 LEU 8 HD11 LEU 8 0.234 6.235 5.268
71 HD12 LEU 8 HD12 LEU 8 -1.477 6.713 5.284
72 HD13 LEU 8 HD13 LEU 8 -0.575 6.648 3.745
73 HD21 LEU 8 HD21 LEU 8 1.238 8.312 3.293
74 HD22 LEU 8 HD22 LEU 8 1.621 9.553 4.506
75 HD23 LEU 8 HD23 LEU 8 1.997 7.845 4.834
76 H HIS 9 H HIS 9 -3.508 10.117 2.780
77 HA HIS 9 HA HIS 9 -3.538 12.959 3.284
78 HB2 HIS 9 HB2 HIS 9 -4.647 11.180 1.105
79 HB3 HIS 9 HB3 HIS 9 -4.919 12.932 1.140
80 HD2 HIS 9 HD2 HIS 9 -3.308 14.062 -0.507
81 HE1 HIS 9 HE1 HIS 9 0.245 11.871 0.306
82 HE2 HIS 9 HE2 HIS 9 -0.760 13.791 -1.044
83 H SER 10 H SER 10 -5.719 10.402 4.158
84 HA SER 10 HA SER 10 -8.039 12.168 4.400
85 HB2 SER 10 HB2 SER 10 -8.397 9.788 4.025
86 HB3 SER 10 HB3 SER 10 -7.420 9.380 5.450
87 HG SER 10 HG SER 10 -9.886 10.787 5.413
88 H ARG 11 H ARG 11 -5.404 10.969 6.490
89 HA ARG 11 HA ARG 11 -6.507 12.195 8.888
90 HB2 ARG 11 HB2 ARG 11 -3.834 10.918 8.215
91 HB3 ARG 11 HB3 ARG 11 -4.246 11.549 9.822
92 HG2 ARG 11 HG2 ARG 11 -6.146 10.018 9.994
93 HG3 ARG 11 HG3 ARG 11 -5.844 9.410 8.351
94 HD2 ARG 11 HD2 ARG 11 -3.612 8.621 9.056
95 HD3 ARG 11 HD3 ARG 11 -3.923 9.209 10.704
96 HE ARG 11 HE ARG 11 -5.943 7.593 10.606
97 HH11 ARG 11 HH11 ARG 11 -2.844 6.980 9.006
98 HH12 ARG 11 HH12 ARG 11 -3.047 5.242 9.044
99 HH21 ARG 11 HH21 ARG 11 -6.163 5.341 10.645
100 HH22 ARG 11 HH22 ARG 11 -4.905 4.324 9.977
101 H LEU 12 H LEU 12 -4.799 13.378 6.178
102 HA LEU 12 HA LEU 12 -3.297 15.472 7.476
103 HB2 LEU 12 HB2 LEU 12 -2.738 14.641 5.240
104 HB3 LEU 12 HB3 LEU 12 -4.355 15.074 4.654
105 HG LEU 12 HG LEU 12 -3.839 17.487 5.121
106 HD11 LEU 12 HD11 LEU 12 -1.463 18.110 5.395
107 HD12 LEU 12 HD12 LEU 12 -2.036 17.177 6.791
108 HD13 LEU 12 HD13 LEU 12 -1.021 16.394 5.555
109 HD21 LEU 12 HD21 LEU 12 -3.651 16.518 2.896
110 HD22 LEU 12 HD22 LEU 12 -2.385 17.736 3.148
111 HD23 LEU 12 HD23 LEU 12 -1.974 16.003 3.236
112 H GLN 13 H GLN 13 -6.661 15.061 6.504
113 HA GLN 13 HA GLN 13 -7.290 17.812 6.144
114 HB2 GLN 13 HB2 GLN 13 -9.086 15.462 6.879
115 HB3 GLN 13 HB3 GLN 13 -9.633 17.046 6.287
116 HG2 GLN 13 HG2 GLN 13 -8.351 16.695 4.184
117 HG3 GLN 13 HG3 GLN 13 -7.840 15.107 4.764
118 HE21 GLN 13 HE21 GLN 13 -9.010 14.912 2.438
119 HE22 GLN 13 HE22 GLN 13 -10.680 14.402 2.550
120 H ASP 14 H ASP 14 -8.647 19.161 7.503
121 HA ASP 14 HA ASP 14 -8.962 20.309 9.357
122 HB2 ASP 14 HB2 ASP 14 -9.656 17.584 10.413
123 HB3 ASP 14 HB3 ASP 14 -9.850 19.059 11.361
124 HN1 NH2 15 HN1 NH2 15 -6.107 19.224 8.985
125 HN2 NH2 15 HN2 NH2 15 -5.372 19.638 10.519
Start of MODEL 10
1 H1 TRP 1 H1 TRP 1 3.038 0.422 -1.945
2 H2 TRP 1 H2 TRP 1 4.355 0.287 -0.968
3 H3 TRP 1 H3 TRP 1 4.057 1.706 -1.735
4 HA TRP 1 HA TRP 1 2.399 0.481 0.363
5 HB2 TRP 1 HB2 TRP 1 3.127 2.213 1.803
6 HB3 TRP 1 HB3 TRP 1 4.569 1.479 1.112
7 HD1 TRP 1 HD1 TRP 1 6.062 3.007 -0.491
8 HE1 TRP 1 HE1 TRP 1 6.176 5.510 -0.934
9 HE3 TRP 1 HE3 TRP 1 1.631 4.394 1.639
10 HZ2 TRP 1 HZ2 TRP 1 4.531 7.846 -0.449
11 HZ3 TRP 1 HZ3 TRP 1 0.930 6.766 1.632
12 HH2 TRP 1 HH2 TRP 1 2.363 8.500 0.587
13 H TYR 2 H TYR 2 2.336 2.379 -2.498
14 HA TYR 2 HA TYR 2 0.801 4.536 -1.625
15 HB2 TYR 2 HB2 TYR 2 1.327 3.413 -4.340
16 HB3 TYR 2 HB3 TYR 2 0.184 4.737 -4.108
17 HD1 TYR 2 HD1 TYR 2 3.660 3.898 -4.439
18 HD2 TYR 2 HD2 TYR 2 0.935 6.830 -2.870
19 HE1 TYR 2 HE1 TYR 2 5.498 5.563 -4.372
20 HE2 TYR 2 HE2 TYR 2 2.760 8.508 -2.815
21 HH TYR 2 HH TYR 2 4.966 8.917 -3.227
22 H HIS 3 H HIS 3 -0.429 1.398 -1.756
23 HA HIS 3 HA HIS 3 -3.147 2.125 -2.425
24 HB2 HIS 3 HB2 HIS 3 -3.653 -0.089 -1.410
25 HB3 HIS 3 HB3 HIS 3 -2.401 -0.155 -2.649
26 HD2 HIS 3 HD2 HIS 3 -3.094 -1.322 0.781
27 HE1 HIS 3 HE1 HIS 3 1.143 -1.513 0.463
28 HE2 HIS 3 HE2 HIS 3 -0.875 -2.234 1.844
29 H ARG 4 H ARG 4 -1.119 2.571 0.348
30 HA ARG 4 HA ARG 4 -3.423 3.035 2.135
31 HB2 ARG 4 HB2 ARG 4 -0.428 3.056 2.665
32 HB3 ARG 4 HB3 ARG 4 -1.696 3.313 3.876
33 HG2 ARG 4 HG2 ARG 4 -2.608 1.043 3.397
34 HG3 ARG 4 HG3 ARG 4 -1.317 0.788 2.204
35 HD2 ARG 4 HD2 ARG 4 -0.709 -0.274 4.303
36 HD3 ARG 4 HD3 ARG 4 0.382 1.079 3.987
37 HE ARG 4 HE ARG 4 -1.905 1.125 5.923
38 HH11 ARG 4 HH11 ARG 4 1.319 2.250 4.956
39 HH12 ARG 4 HH12 ARG 4 1.528 3.208 6.404
40 HH21 ARG 4 HH21 ARG 4 -1.587 2.386 7.774
41 HH22 ARG 4 HH22 ARG 4 -0.103 3.283 7.990
42 H LEU 5 H LEU 5 -2.111 4.815 -0.248
43 HA LEU 5 HA LEU 5 -1.170 7.187 0.961
44 HB2 LEU 5 HB2 LEU 5 -0.948 6.667 -1.435
45 HB3 LEU 5 HB3 LEU 5 -2.709 6.733 -1.622
46 HG LEU 5 HG LEU 5 -2.646 9.149 -0.875
47 HD11 LEU 5 HD11 LEU 5 0.356 8.677 -1.212
48 HD12 LEU 5 HD12 LEU 5 -0.413 10.273 -1.066
49 HD13 LEU 5 HD13 LEU 5 -0.470 9.134 0.297
50 HD21 LEU 5 HD21 LEU 5 -1.808 9.988 -3.012
51 HD22 LEU 5 HD22 LEU 5 -0.998 8.432 -3.326
52 HD23 LEU 5 HD23 LEU 5 -2.783 8.524 -3.239
53 H SER 6 H SER 6 -4.517 6.119 0.242
54 HA SER 6 HA SER 6 -5.678 8.672 0.870
55 HB2 SER 6 HB2 SER 6 -7.795 7.465 0.748
56 HB3 SER 6 HB3 SER 6 -6.737 6.973 -0.593
57 HG SER 6 HG SER 6 -7.734 5.196 0.473
58 H HIS 7 H HIS 7 -4.571 5.970 2.835
59 HA HIS 7 HA HIS 7 -6.229 6.590 5.122
60 HB2 HIS 7 HB2 HIS 7 -3.661 4.984 4.913
61 HB3 HIS 7 HB3 HIS 7 -4.759 5.017 6.296
62 HD2 HIS 7 HD2 HIS 7 -6.434 3.045 6.345
63 HE1 HIS 7 HE1 HIS 7 -6.677 2.199 2.184
64 HE2 HIS 7 HE2 HIS 7 -7.465 1.493 4.505
65 H LEU 8 H LEU 8 -3.204 7.815 3.793
66 HA LEU 8 HA LEU 8 -2.500 9.192 6.307
67 HB2 LEU 8 HB2 LEU 8 -1.243 8.915 3.560
68 HB3 LEU 8 HB3 LEU 8 -0.743 10.190 4.673
69 HG LEU 8 HG LEU 8 -0.253 8.467 6.418
70 HD11 LEU 8 HD11 LEU 8 -0.628 6.535 4.089
71 HD12 LEU 8 HD12 LEU 8 0.083 6.128 5.666
72 HD13 LEU 8 HD13 LEU 8 -1.620 6.582 5.574
73 HD21 LEU 8 HD21 LEU 8 1.861 7.772 5.351
74 HD22 LEU 8 HD22 LEU 8 1.195 8.205 3.754
75 HD23 LEU 8 HD23 LEU 8 1.484 9.468 4.972
76 H HIS 9 H HIS 9 -3.569 10.016 2.934
77 HA HIS 9 HA HIS 9 -3.572 12.824 3.499
78 HB2 HIS 9 HB2 HIS 9 -4.657 11.107 1.269
79 HB3 HIS 9 HB3 HIS 9 -5.028 12.831 1.359
80 HD2 HIS 9 HD2 HIS 9 -3.461 14.229 -0.091
81 HE1 HIS 9 HE1 HIS 9 0.156 12.032 0.363
82 HE2 HIS 9 HE2 HIS 9 -0.918 14.079 -0.710
83 H SER 10 H SER 10 -5.998 10.333 4.133
84 HA SER 10 HA SER 10 -8.149 12.272 4.439
85 HB2 SER 10 HB2 SER 10 -9.364 10.393 5.465
86 HB3 SER 10 HB3 SER 10 -8.651 9.934 3.910
87 HG SER 10 HG SER 10 -7.183 8.739 4.905
88 H ARG 11 H ARG 11 -5.395 11.377 6.309
89 HA ARG 11 HA ARG 11 -6.598 12.388 8.828
90 HB2 ARG 11 HB2 ARG 11 -3.954 11.020 8.226
91 HB3 ARG 11 HB3 ARG 11 -4.473 11.584 9.831
92 HG2 ARG 11 HG2 ARG 11 -6.444 10.103 9.735
93 HG3 ARG 11 HG3 ARG 11 -5.943 9.531 8.126
94 HD2 ARG 11 HD2 ARG 11 -3.795 8.724 9.117
95 HD3 ARG 11 HD3 ARG 11 -4.355 9.251 10.711
96 HE ARG 11 HE ARG 11 -5.528 7.052 9.064
97 HH11 ARG 11 HH11 ARG 11 -5.125 8.636 12.216
98 HH12 ARG 11 HH12 ARG 11 -5.899 7.331 13.082
99 HH21 ARG 11 HH21 ARG 11 -6.527 5.390 10.237
100 HH22 ARG 11 HH22 ARG 11 -6.694 5.511 11.972
101 H LEU 12 H LEU 12 -4.841 13.506 6.126
102 HA LEU 12 HA LEU 12 -3.214 15.483 7.492
103 HB2 LEU 12 HB2 LEU 12 -2.614 14.573 5.272
104 HB3 LEU 12 HB3 LEU 12 -4.151 15.138 4.615
105 HG LEU 12 HG LEU 12 -3.453 17.510 5.130
106 HD11 LEU 12 HD11 LEU 12 -0.763 16.165 5.650
107 HD12 LEU 12 HD12 LEU 12 -1.041 17.911 5.497
108 HD13 LEU 12 HD13 LEU 12 -1.751 17.014 6.861
109 HD21 LEU 12 HD21 LEU 12 -1.668 15.877 3.296
110 HD22 LEU 12 HD22 LEU 12 -3.273 16.542 2.901
111 HD23 LEU 12 HD23 LEU 12 -1.911 17.640 3.223
112 H GLN 13 H GLN 13 -6.521 15.290 6.291
113 HA GLN 13 HA GLN 13 -6.954 18.090 5.964
114 HB2 GLN 13 HB2 GLN 13 -8.912 15.810 6.426
115 HB3 GLN 13 HB3 GLN 13 -9.355 17.446 5.897
116 HG2 GLN 13 HG2 GLN 13 -7.939 17.183 3.879
117 HG3 GLN 13 HG3 GLN 13 -7.497 15.549 4.392
118 HE21 GLN 13 HE21 GLN 13 -8.460 15.387 2.028
119 HE22 GLN 13 HE22 GLN 13 -10.161 14.967 1.966
120 H ASP 14 H ASP 14 -8.523 19.402 7.243
121 HA ASP 14 HA ASP 14 -7.792 19.370 10.014
122 HB2 ASP 14 HB2 ASP 14 -9.658 21.102 8.397
123 HB3 ASP 14 HB3 ASP 14 -9.433 21.310 10.135
124 HN1 NH2 15 HN1 NH2 15 -10.035 17.404 8.561
125 HN2 NH2 15 HN2 NH2 15 -11.095 17.171 9.934
Start of MODEL 11
1 H1 TRP 1 H1 TRP 1 2.744 -0.061 -1.752
2 H2 TRP 1 H2 TRP 1 4.019 -0.303 -0.749
3 H3 TRP 1 H3 TRP 1 3.858 1.139 -1.519
4 HA TRP 1 HA TRP 1 2.051 0.063 0.540
5 HB2 TRP 1 HB2 TRP 1 2.904 1.725 2.000
6 HB3 TRP 1 HB3 TRP 1 4.280 0.842 1.349
7 HD1 TRP 1 HD1 TRP 1 5.985 2.199 -0.179
8 HE1 TRP 1 HE1 TRP 1 6.367 4.667 -0.653
9 HE3 TRP 1 HE3 TRP 1 1.627 4.061 1.738
10 HZ2 TRP 1 HZ2 TRP 1 4.941 7.158 -0.297
11 HZ3 TRP 1 HZ3 TRP 1 1.170 6.487 1.658
12 HH2 TRP 1 HH2 TRP 1 2.802 8.048 0.645
13 H TYR 2 H TYR 2 2.230 1.953 -2.318
14 HA TYR 2 HA TYR 2 0.889 4.253 -1.496
15 HB2 TYR 2 HB2 TYR 2 1.323 3.037 -4.181
16 HB3 TYR 2 HB3 TYR 2 0.307 4.456 -3.987
17 HD1 TYR 2 HD1 TYR 2 3.672 3.336 -4.377
18 HD2 TYR 2 HD2 TYR 2 1.263 6.472 -2.685
19 HE1 TYR 2 HE1 TYR 2 5.648 4.828 -4.349
20 HE2 TYR 2 HE2 TYR 2 3.238 7.978 -2.663
21 HH TYR 2 HH TYR 2 6.445 6.902 -3.833
22 H HIS 3 H HIS 3 -0.617 1.232 -1.612
23 HA HIS 3 HA HIS 3 -3.251 2.197 -2.321
24 HB2 HIS 3 HB2 HIS 3 -3.978 0.041 -1.320
25 HB3 HIS 3 HB3 HIS 3 -2.725 -0.143 -2.556
26 HD2 HIS 3 HD2 HIS 3 -3.565 -1.285 0.843
27 HE1 HIS 3 HE1 HIS 3 0.649 -1.810 0.610
28 HE2 HIS 3 HE2 HIS 3 -1.448 -2.375 1.938
29 H ARG 4 H ARG 4 -1.241 2.424 0.504
30 HA ARG 4 HA ARG 4 -3.509 2.996 2.292
31 HB2 ARG 4 HB2 ARG 4 -0.503 2.984 2.762
32 HB3 ARG 4 HB3 ARG 4 -1.746 3.227 4.005
33 HG2 ARG 4 HG2 ARG 4 -2.692 0.985 3.497
34 HG3 ARG 4 HG3 ARG 4 -1.419 0.730 2.284
35 HD2 ARG 4 HD2 ARG 4 -0.796 -0.380 4.356
36 HD3 ARG 4 HD3 ARG 4 0.302 0.968 4.047
37 HE ARG 4 HE ARG 4 -0.530 2.099 5.910
38 HH11 ARG 4 HH11 ARG 4 -2.531 -0.755 5.249
39 HH12 ARG 4 HH12 ARG 4 -3.369 -0.648 6.778
40 HH21 ARG 4 HH21 ARG 4 -1.643 2.190 7.892
41 HH22 ARG 4 HH22 ARG 4 -2.877 1.011 8.259
42 H LEU 5 H LEU 5 -1.950 4.728 -0.065
43 HA LEU 5 HA LEU 5 -1.130 7.111 1.227
44 HB2 LEU 5 HB2 LEU 5 -0.620 6.494 -1.126
45 HB3 LEU 5 HB3 LEU 5 -2.336 6.657 -1.529
46 HG LEU 5 HG LEU 5 -2.169 9.100 -0.782
47 HD11 LEU 5 HD11 LEU 5 0.151 10.042 -0.840
48 HD12 LEU 5 HD12 LEU 5 -0.115 8.959 0.546
49 HD13 LEU 5 HD13 LEU 5 0.791 8.384 -0.876
50 HD21 LEU 5 HD21 LEU 5 -2.184 8.396 -3.137
51 HD22 LEU 5 HD22 LEU 5 -1.121 9.799 -2.884
52 HD23 LEU 5 HD23 LEU 5 -0.408 8.183 -3.095
53 H SER 6 H SER 6 -4.347 5.975 0.225
54 HA SER 6 HA SER 6 -5.707 8.463 0.485
55 HB2 SER 6 HB2 SER 6 -6.650 6.534 -0.701
56 HB3 SER 6 HB3 SER 6 -6.687 5.602 0.810
57 HG SER 6 HG SER 6 -8.134 7.963 0.218
58 H HIS 7 H HIS 7 -4.586 6.129 2.899
59 HA HIS 7 HA HIS 7 -6.344 7.104 4.992
60 HB2 HIS 7 HB2 HIS 7 -3.810 5.434 5.121
61 HB3 HIS 7 HB3 HIS 7 -4.939 5.703 6.450
62 HD2 HIS 7 HD2 HIS 7 -6.651 3.818 6.766
63 HE1 HIS 7 HE1 HIS 7 -6.815 2.277 2.804
64 HE2 HIS 7 HE2 HIS 7 -7.679 1.996 5.188
65 H LEU 8 H LEU 8 -3.017 7.789 3.867
66 HA LEU 8 HA LEU 8 -2.315 9.433 6.147
67 HB2 LEU 8 HB2 LEU 8 -1.230 9.064 3.332
68 HB3 LEU 8 HB3 LEU 8 -0.631 10.347 4.388
69 HG LEU 8 HG LEU 8 -0.064 8.653 6.128
70 HD11 LEU 8 HD11 LEU 8 -0.628 6.684 3.870
71 HD12 LEU 8 HD12 LEU 8 0.198 6.294 5.396
72 HD13 LEU 8 HD13 LEU 8 -1.504 6.779 5.425
73 HD21 LEU 8 HD21 LEU 8 1.574 9.601 4.548
74 HD22 LEU 8 HD22 LEU 8 1.963 7.905 4.932
75 HD23 LEU 8 HD23 LEU 8 1.193 8.318 3.378
76 H HIS 9 H HIS 9 -3.522 10.115 2.812
77 HA HIS 9 HA HIS 9 -3.588 12.953 3.278
78 HB2 HIS 9 HB2 HIS 9 -4.673 11.137 1.114
79 HB3 HIS 9 HB3 HIS 9 -4.973 12.880 1.127
80 HD2 HIS 9 HD2 HIS 9 -3.370 14.017 -0.528
81 HE1 HIS 9 HE1 HIS 9 0.212 11.880 0.301
82 HE2 HIS 9 HE2 HIS 9 -0.817 13.761 -1.072
83 H SER 10 H SER 10 -5.728 10.401 4.225
84 HA SER 10 HA SER 10 -8.070 12.149 4.444
85 HB2 SER 10 HB2 SER 10 -8.402 9.763 4.065
86 HB3 SER 10 HB3 SER 10 -7.453 9.369 5.516
87 HG SER 10 HG SER 10 -9.929 10.747 5.401
88 H ARG 11 H ARG 11 -5.438 10.946 6.534
89 HA ARG 11 HA ARG 11 -6.521 12.210 8.924
90 HB2 ARG 11 HB2 ARG 11 -3.858 10.898 8.286
91 HB3 ARG 11 HB3 ARG 11 -4.293 11.549 9.879
92 HG2 ARG 11 HG2 ARG 11 -6.225 10.035 10.018
93 HG3 ARG 11 HG3 ARG 11 -5.867 9.392 8.403
94 HD2 ARG 11 HD2 ARG 11 -3.658 8.619 9.202
95 HD3 ARG 11 HD3 ARG 11 -4.026 9.244 10.821
96 HE ARG 11 HE ARG 11 -6.038 7.637 10.720
97 HH11 ARG 11 HH11 ARG 11 -2.939 6.973 9.153
98 HH12 ARG 11 HH12 ARG 11 -3.155 5.238 9.215
99 HH21 ARG 11 HH21 ARG 11 -6.285 5.394 10.785
100 HH22 ARG 11 HH22 ARG 11 -5.037 4.344 10.148
101 H LEU 12 H LEU 12 -4.808 13.332 6.199
102 HA LEU 12 HA LEU 12 -3.267 15.430 7.460
103 HB2 LEU 12 HB2 LEU 12 -2.702 14.523 5.252
104 HB3 LEU 12 HB3 LEU 12 -4.306 14.944 4.643
105 HG LEU 12 HG LEU 12 -3.777 17.377 5.014
106 HD11 LEU 12 HD11 LEU 12 -0.976 16.268 5.498
107 HD12 LEU 12 HD12 LEU 12 -1.395 17.987 5.293
108 HD13 LEU 12 HD13 LEU 12 -1.980 17.093 6.709
109 HD21 LEU 12 HD21 LEU 12 -3.575 16.308 2.822
110 HD22 LEU 12 HD22 LEU 12 -2.317 17.537 3.047
111 HD23 LEU 12 HD23 LEU 12 -1.905 15.811 3.207
112 H GLN 13 H GLN 13 -6.630 15.029 6.552
113 HA GLN 13 HA GLN 13 -7.198 17.775 6.024
114 HB2 GLN 13 HB2 GLN 13 -9.091 15.554 6.913
115 HB3 GLN 13 HB3 GLN 13 -9.545 17.057 6.103
116 HG2 GLN 13 HG2 GLN 13 -7.843 14.812 4.948
117 HG3 GLN 13 HG3 GLN 13 -9.499 15.208 4.481
118 HE21 GLN 13 HE21 GLN 13 -7.038 15.090 2.831
119 HE22 GLN 13 HE22 GLN 13 -6.895 16.673 2.088
120 H ASP 14 H ASP 14 -8.675 19.152 7.278
121 HA ASP 14 HA ASP 14 -7.750 19.382 9.989
122 HB2 ASP 14 HB2 ASP 14 -9.707 20.985 8.353
123 HB3 ASP 14 HB3 ASP 14 -9.353 21.339 10.049
124 HN1 NH2 15 HN1 NH2 15 -10.042 17.294 8.891
125 HN2 NH2 15 HN2 NH2 15 -11.040 17.207 10.326
Start of MODEL 12
1 H1 TRP 1 H1 TRP 1 2.893 -0.049 -1.513
2 H2 TRP 1 H2 TRP 1 4.122 -0.270 -0.455
3 H3 TRP 1 H3 TRP 1 3.982 1.162 -1.259
4 HA TRP 1 HA TRP 1 2.108 0.100 0.749
5 HB2 TRP 1 HB2 TRP 1 2.874 1.801 2.213
6 HB3 TRP 1 HB3 TRP 1 4.295 0.940 1.635
7 HD1 TRP 1 HD1 TRP 1 6.004 2.307 0.131
8 HE1 TRP 1 HE1 TRP 1 6.354 4.795 -0.342
9 HE3 TRP 1 HE3 TRP 1 1.562 4.092 1.918
10 HZ2 TRP 1 HZ2 TRP 1 4.864 7.251 -0.038
11 HZ3 TRP 1 HZ3 TRP 1 1.042 6.505 1.783
12 HH2 TRP 1 HH2 TRP 1 2.677 8.098 0.808
13 H TYR 2 H TYR 2 2.385 1.959 -2.119
14 HA TYR 2 HA TYR 2 0.974 4.246 -1.385
15 HB2 TYR 2 HB2 TYR 2 1.537 3.011 -4.040
16 HB3 TYR 2 HB3 TYR 2 0.489 4.423 -3.891
17 HD1 TYR 2 HD1 TYR 2 3.885 3.319 -4.102
18 HD2 TYR 2 HD2 TYR 2 1.372 6.464 -2.582
19 HE1 TYR 2 HE1 TYR 2 5.846 4.835 -4.001
20 HE2 TYR 2 HE2 TYR 2 3.325 7.986 -2.488
21 HH TYR 2 HH TYR 2 5.572 8.216 -2.853
22 H HIS 3 H HIS 3 -0.493 1.186 -1.580
23 HA HIS 3 HA HIS 3 -3.107 2.127 -2.374
24 HB2 HIS 3 HB2 HIS 3 -3.849 -0.039 -1.389
25 HB3 HIS 3 HB3 HIS 3 -2.545 -0.210 -2.569
26 HD2 HIS 3 HD2 HIS 3 -3.511 -1.342 0.808
27 HE1 HIS 3 HE1 HIS 3 0.717 -1.831 0.719
28 HE2 HIS 3 HE2 HIS 3 -1.426 -2.420 1.975
29 H ARG 4 H ARG 4 -1.209 2.393 0.523
30 HA ARG 4 HA ARG 4 -3.560 2.989 2.196
31 HB2 ARG 4 HB2 ARG 4 -0.591 2.935 2.850
32 HB3 ARG 4 HB3 ARG 4 -1.903 3.188 4.010
33 HG2 ARG 4 HG2 ARG 4 -2.834 0.943 3.419
34 HG3 ARG 4 HG3 ARG 4 -1.461 0.697 2.309
35 HD2 ARG 4 HD2 ARG 4 -1.013 -0.417 4.428
36 HD3 ARG 4 HD3 ARG 4 0.112 0.931 4.199
37 HE ARG 4 HE ARG 4 -2.330 1.068 5.940
38 HH11 ARG 4 HH11 ARG 4 1.089 1.812 5.379
39 HH12 ARG 4 HH12 ARG 4 1.260 2.669 6.895
40 HH21 ARG 4 HH21 ARG 4 -2.068 2.188 7.880
41 HH22 ARG 4 HH22 ARG 4 -0.518 2.888 8.298
42 H LEU 5 H LEU 5 -1.954 4.714 -0.112
43 HA LEU 5 HA LEU 5 -1.079 7.067 1.198
44 HB2 LEU 5 HB2 LEU 5 -0.583 6.512 -1.153
45 HB3 LEU 5 HB3 LEU 5 -2.303 6.629 -1.552
46 HG LEU 5 HG LEU 5 -2.247 9.051 -0.815
47 HD11 LEU 5 HD11 LEU 5 0.752 8.470 -0.797
48 HD12 LEU 5 HD12 LEU 5 0.037 10.094 -0.777
49 HD13 LEU 5 HD13 LEU 5 -0.224 8.991 0.595
50 HD21 LEU 5 HD21 LEU 5 -2.124 8.365 -3.173
51 HD22 LEU 5 HD22 LEU 5 -1.151 9.819 -2.869
52 HD23 LEU 5 HD23 LEU 5 -0.350 8.234 -3.050
53 H SER 6 H SER 6 -4.355 6.060 0.150
54 HA SER 6 HA SER 6 -5.545 8.638 0.531
55 HB2 SER 6 HB2 SER 6 -6.666 5.818 0.471
56 HB3 SER 6 HB3 SER 6 -7.671 7.285 0.591
57 HG SER 6 HG SER 6 -5.843 6.646 -1.480
58 H HIS 7 H HIS 7 -4.619 6.091 2.794
59 HA HIS 7 HA HIS 7 -6.418 6.969 4.892
60 HB2 HIS 7 HB2 HIS 7 -3.886 5.288 4.991
61 HB3 HIS 7 HB3 HIS 7 -5.044 5.493 6.308
62 HD2 HIS 7 HD2 HIS 7 -6.756 3.596 6.500
63 HE1 HIS 7 HE1 HIS 7 -6.869 2.270 2.460
64 HE2 HIS 7 HE2 HIS 7 -7.759 1.858 4.815
65 H LEU 8 H LEU 8 -3.090 7.743 3.843
66 HA LEU 8 HA LEU 8 -2.470 9.317 6.209
67 HB2 LEU 8 HB2 LEU 8 -1.250 9.000 3.437
68 HB3 LEU 8 HB3 LEU 8 -0.714 10.264 4.542
69 HG LEU 8 HG LEU 8 -0.258 8.508 6.287
70 HD11 LEU 8 HD11 LEU 8 -1.612 6.641 5.396
71 HD12 LEU 8 HD12 LEU 8 -0.628 6.628 3.908
72 HD13 LEU 8 HD13 LEU 8 0.097 6.189 5.474
73 HD21 LEU 8 HD21 LEU 8 1.192 8.312 3.618
74 HD22 LEU 8 HD22 LEU 8 1.475 9.546 4.869
75 HD23 LEU 8 HD23 LEU 8 1.870 7.844 5.199
76 H HIS 9 H HIS 9 -3.606 10.032 2.848
77 HA HIS 9 HA HIS 9 -3.648 12.855 3.315
78 HB2 HIS 9 HB2 HIS 9 -4.772 11.036 1.184
79 HB3 HIS 9 HB3 HIS 9 -5.119 12.769 1.200
80 HD2 HIS 9 HD2 HIS 9 -3.605 13.942 -0.499
81 HE1 HIS 9 HE1 HIS 9 0.062 11.929 0.265
82 HE2 HIS 9 HE2 HIS 9 -1.059 13.777 -1.092
83 H SER 10 H SER 10 -5.857 10.334 4.264
84 HA SER 10 HA SER 10 -8.127 12.154 4.556
85 HB2 SER 10 HB2 SER 10 -7.581 9.355 5.632
86 HB3 SER 10 HB3 SER 10 -9.091 10.250 5.874
87 HG SER 10 HG SER 10 -7.946 9.406 3.434
88 H ARG 11 H ARG 11 -5.329 11.166 6.450
89 HA ARG 11 HA ARG 11 -6.384 12.359 8.923
90 HB2 ARG 11 HB2 ARG 11 -3.759 11.017 8.188
91 HB3 ARG 11 HB3 ARG 11 -4.108 11.685 9.792
92 HG2 ARG 11 HG2 ARG 11 -6.040 10.186 10.036
93 HG3 ARG 11 HG3 ARG 11 -5.787 9.551 8.401
94 HD2 ARG 11 HD2 ARG 11 -3.557 8.726 9.051
95 HD3 ARG 11 HD3 ARG 11 -3.780 9.356 10.688
96 HE ARG 11 HE ARG 11 -5.153 7.025 9.449
97 HH11 ARG 11 HH11 ARG 11 -4.675 9.074 12.304
98 HH12 ARG 11 HH12 ARG 11 -5.418 7.914 13.385
99 HH21 ARG 11 HH21 ARG 11 -6.110 5.561 10.889
100 HH22 ARG 11 HH22 ARG 11 -6.219 5.950 12.594
101 H LEU 12 H LEU 12 -4.818 13.462 6.108
102 HA LEU 12 HA LEU 12 -3.216 15.555 7.287
103 HB2 LEU 12 HB2 LEU 12 -2.802 14.693 5.022
104 HB3 LEU 12 HB3 LEU 12 -4.441 15.143 4.532
105 HG LEU 12 HG LEU 12 -3.856 17.563 4.957
106 HD11 LEU 12 HD11 LEU 12 -1.053 16.383 5.192
107 HD12 LEU 12 HD12 LEU 12 -1.434 18.117 5.055
108 HD13 LEU 12 HD13 LEU 12 -1.944 17.203 6.490
109 HD21 LEU 12 HD21 LEU 12 -3.852 16.559 2.721
110 HD22 LEU 12 HD22 LEU 12 -2.555 17.767 2.881
111 HD23 LEU 12 HD23 LEU 12 -2.166 16.030 2.945
112 H GLN 13 H GLN 13 -6.630 15.153 6.542
113 HA GLN 13 HA GLN 13 -7.219 17.928 6.189
114 HB2 GLN 13 HB2 GLN 13 -9.015 15.570 6.872
115 HB3 GLN 13 HB3 GLN 13 -9.576 17.163 6.328
116 HG2 GLN 13 HG2 GLN 13 -8.301 16.877 4.203
117 HG3 GLN 13 HG3 GLN 13 -7.781 15.278 4.735
118 HE21 GLN 13 HE21 GLN 13 -8.944 15.046 2.441
119 HE22 GLN 13 HE22 GLN 13 -10.621 14.554 2.548
120 H ASP 14 H ASP 14 -6.446 16.187 9.023
121 HA ASP 14 HA ASP 14 -7.427 18.412 10.634
122 HB2 ASP 14 HB2 ASP 14 -8.342 16.819 12.382
123 HB3 ASP 14 HB3 ASP 14 -9.297 17.101 10.922
124 HN1 NH2 15 HN1 NH2 15 -4.792 16.900 9.772
125 HN2 NH2 15 HN2 NH2 15 -3.899 16.905 11.278
Start of MODEL 13
1 H1 TRP 1 H1 TRP 1 2.280 -0.005 -2.622
2 H2 TRP 1 H2 TRP 1 3.624 -0.383 -1.755
3 H3 TRP 1 H3 TRP 1 3.489 1.105 -2.444
4 HA TRP 1 HA TRP 1 1.820 0.035 -0.269
5 HB2 TRP 1 HB2 TRP 1 2.916 1.574 1.173
6 HB3 TRP 1 HB3 TRP 1 4.175 0.684 0.339
7 HD1 TRP 1 HD1 TRP 1 5.770 2.040 -1.284
8 HE1 TRP 1 HE1 TRP 1 6.207 4.520 -1.676
9 HE3 TRP 1 HE3 TRP 1 1.706 3.963 1.152
10 HZ2 TRP 1 HZ2 TRP 1 4.932 7.037 -1.052
11 HZ3 TRP 1 HZ3 TRP 1 1.328 6.405 1.210
12 HH2 TRP 1 HH2 TRP 1 2.926 7.955 0.117
13 H TYR 2 H TYR 2 1.831 2.048 -3.048
14 HA TYR 2 HA TYR 2 0.823 4.406 -1.986
15 HB2 TYR 2 HB2 TYR 2 0.810 3.283 -4.754
16 HB3 TYR 2 HB3 TYR 2 -0.018 4.793 -4.392
17 HD1 TYR 2 HD1 TYR 2 3.119 3.356 -5.247
18 HD2 TYR 2 HD2 TYR 2 1.316 6.622 -3.110
19 HE1 TYR 2 HE1 TYR 2 5.243 4.629 -5.409
20 HE2 TYR 2 HE2 TYR 2 3.434 7.901 -3.272
21 HH TYR 2 HH TYR 2 6.331 6.573 -4.909
22 H HIS 3 H HIS 3 -1.021 1.557 -2.102
23 HA HIS 3 HA HIS 3 -3.599 2.855 -2.417
24 HB2 HIS 3 HB2 HIS 3 -4.452 0.709 -1.499
25 HB3 HIS 3 HB3 HIS 3 -3.351 0.482 -2.859
26 HD2 HIS 3 HD2 HIS 3 -3.939 -0.686 0.619
27 HE1 HIS 3 HE1 HIS 3 0.101 -1.749 -0.184
28 HE2 HIS 3 HE2 HIS 3 -1.862 -2.082 1.409
29 H ARG 4 H ARG 4 -1.274 2.552 0.175
30 HA ARG 4 HA ARG 4 -3.195 3.035 2.309
31 HB2 ARG 4 HB2 ARG 4 -0.154 3.188 2.251
32 HB3 ARG 4 HB3 ARG 4 -1.160 3.294 3.707
33 HG2 ARG 4 HG2 ARG 4 -2.047 1.018 3.259
34 HG3 ARG 4 HG3 ARG 4 -1.042 0.916 1.804
35 HD2 ARG 4 HD2 ARG 4 0.075 -0.252 3.638
36 HD3 ARG 4 HD3 ARG 4 0.997 1.185 3.191
37 HE ARG 4 HE ARG 4 0.463 2.186 5.241
38 HH11 ARG 4 HH11 ARG 4 -1.287 -0.862 4.869
39 HH12 ARG 4 HH12 ARG 4 -1.763 -0.928 6.554
40 HH21 ARG 4 HH21 ARG 4 -0.178 2.072 7.426
41 HH22 ARG 4 HH22 ARG 4 -1.142 0.729 7.988
42 H LEU 5 H LEU 5 -1.733 5.013 -0.065
43 HA LEU 5 HA LEU 5 -1.114 7.368 1.360
44 HB2 LEU 5 HB2 LEU 5 -0.571 6.844 -1.029
45 HB3 LEU 5 HB3 LEU 5 -2.290 6.999 -1.419
46 HG LEU 5 HG LEU 5 -2.146 9.403 -0.497
47 HD11 LEU 5 HD11 LEU 5 0.823 8.763 -0.826
48 HD12 LEU 5 HD12 LEU 5 0.144 10.391 -0.622
49 HD13 LEU 5 HD13 LEU 5 0.007 9.199 0.692
50 HD21 LEU 5 HD21 LEU 5 -0.532 8.627 -2.948
51 HD22 LEU 5 HD22 LEU 5 -2.302 8.810 -2.876
52 HD23 LEU 5 HD23 LEU 5 -1.250 10.225 -2.618
53 H SER 6 H SER 6 -4.223 5.999 0.337
54 HA SER 6 HA SER 6 -5.812 8.337 0.649
55 HB2 SER 6 HB2 SER 6 -6.551 6.315 -0.545
56 HB3 SER 6 HB3 SER 6 -6.498 5.392 0.968
57 HG SER 6 HG SER 6 -8.600 6.159 0.455
58 H HIS 7 H HIS 7 -4.513 6.015 3.025
59 HA HIS 7 HA HIS 7 -6.359 6.892 5.103
60 HB2 HIS 7 HB2 HIS 7 -3.779 5.367 5.513
61 HB3 HIS 7 HB3 HIS 7 -5.231 5.342 6.512
62 HD2 HIS 7 HD2 HIS 7 -3.514 2.972 4.654
63 HE1 HIS 7 HE1 HIS 7 -7.441 2.282 3.182
64 HE2 HIS 7 HE2 HIS 7 -5.091 1.325 3.365
65 H LEU 8 H LEU 8 -3.040 7.659 4.038
66 HA LEU 8 HA LEU 8 -2.370 9.215 6.388
67 HB2 LEU 8 HB2 LEU 8 -1.249 8.935 3.575
68 HB3 LEU 8 HB3 LEU 8 -0.687 10.219 4.657
69 HG LEU 8 HG LEU 8 -0.104 8.495 6.373
70 HD11 LEU 8 HD11 LEU 8 -1.521 6.619 5.613
71 HD12 LEU 8 HD12 LEU 8 -0.629 6.570 4.065
72 HD13 LEU 8 HD13 LEU 8 0.189 6.159 5.589
73 HD21 LEU 8 HD21 LEU 8 1.540 9.496 4.830
74 HD22 LEU 8 HD22 LEU 8 1.939 7.791 5.168
75 HD23 LEU 8 HD23 LEU 8 1.178 8.244 3.623
76 H HIS 9 H HIS 9 -3.606 10.021 3.081
77 HA HIS 9 HA HIS 9 -3.641 12.839 3.668
78 HB2 HIS 9 HB2 HIS 9 -4.709 11.111 1.435
79 HB3 HIS 9 HB3 HIS 9 -5.106 12.828 1.529
80 HD2 HIS 9 HD2 HIS 9 -3.595 14.104 -0.106
81 HE1 HIS 9 HE1 HIS 9 0.120 12.183 0.634
82 HE2 HIS 9 HE2 HIS 9 -1.038 14.039 -0.668
83 H SER 10 H SER 10 -5.917 10.228 4.276
84 HA SER 10 HA SER 10 -8.224 11.938 4.633
85 HB2 SER 10 HB2 SER 10 -8.466 9.556 4.190
86 HB3 SER 10 HB3 SER 10 -7.550 9.162 5.663
87 HG SER 10 HG SER 10 -9.839 9.061 5.934
88 H ARG 11 H ARG 11 -5.391 11.197 6.523
89 HA ARG 11 HA ARG 11 -6.589 12.332 8.986
90 HB2 ARG 11 HB2 ARG 11 -3.973 10.901 8.401
91 HB3 ARG 11 HB3 ARG 11 -4.386 11.607 9.980
92 HG2 ARG 11 HG2 ARG 11 -6.384 10.173 10.122
93 HG3 ARG 11 HG3 ARG 11 -6.019 9.475 8.530
94 HD2 ARG 11 HD2 ARG 11 -3.859 8.636 9.391
95 HD3 ARG 11 HD3 ARG 11 -4.218 9.322 10.986
96 HE ARG 11 HE ARG 11 -5.543 6.992 9.688
97 HH11 ARG 11 HH11 ARG 11 -5.177 9.064 12.534
98 HH12 ARG 11 HH12 ARG 11 -6.000 7.939 13.595
99 HH21 ARG 11 HH21 ARG 11 -6.578 5.546 11.096
100 HH22 ARG 11 HH22 ARG 11 -6.790 5.963 12.782
101 H LEU 12 H LEU 12 -4.679 13.272 6.265
102 HA LEU 12 HA LEU 12 -3.254 15.424 7.617
103 HB2 LEU 12 HB2 LEU 12 -2.309 14.302 5.647
104 HB3 LEU 12 HB3 LEU 12 -3.754 14.722 4.705
105 HG LEU 12 HG LEU 12 -3.208 17.161 5.025
106 HD11 LEU 12 HD11 LEU 12 -0.595 16.009 6.107
107 HD12 LEU 12 HD12 LEU 12 -0.902 17.719 5.718
108 HD13 LEU 12 HD13 LEU 12 -1.781 16.938 7.050
109 HD21 LEU 12 HD21 LEU 12 -2.624 15.933 2.986
110 HD22 LEU 12 HD22 LEU 12 -1.393 17.155 3.372
111 HD23 LEU 12 HD23 LEU 12 -1.075 15.437 3.712
112 H GLN 13 H GLN 13 -6.278 15.008 5.784
113 HA GLN 13 HA GLN 13 -6.701 17.783 5.272
114 HB2 GLN 13 HB2 GLN 13 -8.991 17.086 4.696
115 HB3 GLN 13 HB3 GLN 13 -7.784 16.020 3.959
116 HG2 GLN 13 HG2 GLN 13 -8.141 14.360 5.754
117 HG3 GLN 13 HG3 GLN 13 -9.326 15.419 6.527
118 HE21 GLN 13 HE21 GLN 13 -10.237 12.979 6.012
119 HE22 GLN 13 HE22 GLN 13 -11.289 12.958 4.610
120 H ASP 14 H ASP 14 -8.475 19.102 6.147
121 HA ASP 14 HA ASP 14 -8.342 19.187 9.012
122 HB2 ASP 14 HB2 ASP 14 -8.343 21.243 7.915
123 HB3 ASP 14 HB3 ASP 14 -9.759 20.822 6.942
124 HN1 NH2 15 HN1 NH2 15 -9.200 17.525 10.070
125 HN2 NH2 15 HN2 NH2 15 -10.913 17.131 10.049
Start of MODEL 14
1 H1 TRP 1 H1 TRP 1 2.832 0.291 -2.108
2 H2 TRP 1 H2 TRP 1 4.151 0.060 -1.158
3 H3 TRP 1 H3 TRP 1 3.918 1.516 -1.881
4 HA TRP 1 HA TRP 1 2.219 0.321 0.203
5 HB2 TRP 1 HB2 TRP 1 3.053 1.989 1.686
6 HB3 TRP 1 HB3 TRP 1 4.434 1.167 0.979
7 HD1 TRP 1 HD1 TRP 1 6.057 2.605 -0.562
8 HE1 TRP 1 HE1 TRP 1 6.359 5.101 -0.967
9 HE3 TRP 1 HE3 TRP 1 1.697 4.282 1.512
10 HZ2 TRP 1 HZ2 TRP 1 4.883 7.545 -0.473
11 HZ3 TRP 1 HZ3 TRP 1 1.162 6.692 1.507
12 HH2 TRP 1 HH2 TRP 1 2.743 8.333 0.526
13 H TYR 2 H TYR 2 2.257 2.321 -2.585
14 HA TYR 2 HA TYR 2 0.820 4.518 -1.655
15 HB2 TYR 2 HB2 TYR 2 1.235 3.404 -4.395
16 HB3 TYR 2 HB3 TYR 2 0.179 4.789 -4.123
17 HD1 TYR 2 HD1 TYR 2 3.568 3.783 -4.610
18 HD2 TYR 2 HD2 TYR 2 1.093 6.790 -2.794
19 HE1 TYR 2 HE1 TYR 2 5.498 5.341 -4.578
20 HE2 TYR 2 HE2 TYR 2 3.019 8.363 -2.755
21 HH TYR 2 HH TYR 2 5.216 8.673 -3.269
22 H HIS 3 H HIS 3 -0.549 1.422 -1.886
23 HA HIS 3 HA HIS 3 -3.245 2.290 -2.483
24 HB2 HIS 3 HB2 HIS 3 -3.849 0.068 -1.541
25 HB3 HIS 3 HB3 HIS 3 -2.611 -0.018 -2.799
26 HD2 HIS 3 HD2 HIS 3 -3.330 -1.320 0.564
27 HE1 HIS 3 HE1 HIS 3 0.905 -1.605 0.247
28 HE2 HIS 3 HE2 HIS 3 -1.145 -2.345 1.581
29 H ARG 4 H ARG 4 -1.182 2.530 0.294
30 HA ARG 4 HA ARG 4 -3.453 3.010 2.112
31 HB2 ARG 4 HB2 ARG 4 -0.453 2.951 2.598
32 HB3 ARG 4 HB3 ARG 4 -1.681 3.236 3.837
33 HG2 ARG 4 HG2 ARG 4 -2.704 1.024 3.336
34 HG3 ARG 4 HG3 ARG 4 -1.429 0.718 2.136
35 HD2 ARG 4 HD2 ARG 4 0.287 0.949 3.906
36 HD3 ARG 4 HD3 ARG 4 -0.986 1.248 5.106
37 HE ARG 4 HE ARG 4 -1.852 -1.063 4.531
38 HH11 ARG 4 HH11 ARG 4 1.577 -0.261 4.102
39 HH12 ARG 4 HH12 ARG 4 2.088 -1.925 4.277
40 HH21 ARG 4 HH21 ARG 4 -1.146 -3.197 4.735
41 HH22 ARG 4 HH22 ARG 4 0.556 -3.579 4.627
42 H LEU 5 H LEU 5 -2.068 4.843 -0.225
43 HA LEU 5 HA LEU 5 -1.144 7.156 1.108
44 HB2 LEU 5 HB2 LEU 5 -0.837 6.648 -1.304
45 HB3 LEU 5 HB3 LEU 5 -2.577 6.877 -1.552
46 HG LEU 5 HG LEU 5 -2.284 9.264 -0.680
47 HD11 LEU 5 HD11 LEU 5 0.649 8.495 -1.067
48 HD12 LEU 5 HD12 LEU 5 0.054 10.154 -0.869
49 HD13 LEU 5 HD13 LEU 5 -0.122 8.993 0.465
50 HD21 LEU 5 HD21 LEU 5 -2.506 8.704 -3.061
51 HD22 LEU 5 HD22 LEU 5 -1.390 10.066 -2.820
52 HD23 LEU 5 HD23 LEU 5 -0.747 8.440 -3.170
53 H SER 6 H SER 6 -4.445 6.084 0.290
54 HA SER 6 HA SER 6 -5.750 8.561 0.870
55 HB2 SER 6 HB2 SER 6 -6.777 6.768 -0.451
56 HB3 SER 6 HB3 SER 6 -6.741 5.688 0.959
57 HG SER 6 HG SER 6 -8.768 6.708 0.683
58 H HIS 7 H HIS 7 -4.588 5.898 2.919
59 HA HIS 7 HA HIS 7 -6.175 6.615 5.211
60 HB2 HIS 7 HB2 HIS 7 -3.604 5.009 5.001
61 HB3 HIS 7 HB3 HIS 7 -4.659 5.090 6.415
62 HD2 HIS 7 HD2 HIS 7 -6.276 3.103 6.599
63 HE1 HIS 7 HE1 HIS 7 -6.705 2.111 2.483
64 HE2 HIS 7 HE2 HIS 7 -7.373 1.476 4.864
65 H LEU 8 H LEU 8 -3.150 7.796 3.840
66 HA LEU 8 HA LEU 8 -2.409 9.225 6.318
67 HB2 LEU 8 HB2 LEU 8 -1.231 8.946 3.530
68 HB3 LEU 8 HB3 LEU 8 -0.701 10.217 4.641
69 HG LEU 8 HG LEU 8 -0.141 8.477 6.347
70 HD11 LEU 8 HD11 LEU 8 0.175 6.154 5.574
71 HD12 LEU 8 HD12 LEU 8 -1.538 6.607 5.556
72 HD13 LEU 8 HD13 LEU 8 -0.619 6.557 4.030
73 HD21 LEU 8 HD21 LEU 8 1.539 9.480 4.838
74 HD22 LEU 8 HD22 LEU 8 1.927 7.783 5.185
75 HD23 LEU 8 HD23 LEU 8 1.198 8.219 3.623
76 H HIS 9 H HIS 9 -3.560 10.007 2.973
77 HA HIS 9 HA HIS 9 -3.554 12.829 3.507
78 HB2 HIS 9 HB2 HIS 9 -4.616 11.073 1.297
79 HB3 HIS 9 HB3 HIS 9 -4.965 12.810 1.347
80 HD2 HIS 9 HD2 HIS 9 -3.394 14.071 -0.221
81 HE1 HIS 9 HE1 HIS 9 0.224 11.942 0.456
82 HE2 HIS 9 HE2 HIS 9 -0.851 13.889 -0.800
83 H SER 10 H SER 10 -5.989 10.321 4.084
84 HA SER 10 HA SER 10 -8.143 12.251 4.375
85 HB2 SER 10 HB2 SER 10 -9.368 10.370 5.379
86 HB3 SER 10 HB3 SER 10 -8.612 9.901 3.836
87 HG SER 10 HG SER 10 -7.109 8.771 4.907
88 H ARG 11 H ARG 11 -5.417 11.397 6.272
89 HA ARG 11 HA ARG 11 -6.670 12.410 8.768
90 HB2 ARG 11 HB2 ARG 11 -4.036 10.990 8.232
91 HB3 ARG 11 HB3 ARG 11 -4.568 11.585 9.823
92 HG2 ARG 11 HG2 ARG 11 -6.578 10.147 9.694
93 HG3 ARG 11 HG3 ARG 11 -6.040 9.525 8.121
94 HD2 ARG 11 HD2 ARG 11 -3.963 8.675 9.169
95 HD3 ARG 11 HD3 ARG 11 -4.498 9.280 10.743
96 HE ARG 11 HE ARG 11 -5.574 6.954 9.253
97 HH11 ARG 11 HH11 ARG 11 -5.821 9.076 12.078
98 HH12 ARG 11 HH12 ARG 11 -6.808 7.947 12.974
99 HH21 ARG 11 HH21 ARG 11 -6.867 5.516 10.447
100 HH22 ARG 11 HH22 ARG 11 -7.398 5.945 12.055
101 H LEU 12 H LEU 12 -4.837 13.502 6.114
102 HA LEU 12 HA LEU 12 -3.238 15.478 7.506
103 HB2 LEU 12 HB2 LEU 12 -2.599 14.590 5.303
104 HB3 LEU 12 HB3 LEU 12 -4.134 15.145 4.620
105 HG LEU 12 HG LEU 12 -3.469 17.516 5.146
106 HD11 LEU 12 HD11 LEU 12 -1.800 17.034 6.916
107 HD12 LEU 12 HD12 LEU 12 -0.779 16.192 5.731
108 HD13 LEU 12 HD13 LEU 12 -1.065 17.942 5.577
109 HD21 LEU 12 HD21 LEU 12 -1.897 17.674 3.273
110 HD22 LEU 12 HD22 LEU 12 -1.624 15.918 3.347
111 HD23 LEU 12 HD23 LEU 12 -3.237 16.560 2.924
112 H GLN 13 H GLN 13 -6.515 15.283 6.224
113 HA GLN 13 HA GLN 13 -6.966 18.086 5.931
114 HB2 GLN 13 HB2 GLN 13 -8.918 15.796 6.374
115 HB3 GLN 13 HB3 GLN 13 -9.356 17.427 5.832
116 HG2 GLN 13 HG2 GLN 13 -7.936 17.157 3.824
117 HG3 GLN 13 HG3 GLN 13 -7.486 15.534 4.342
118 HE21 GLN 13 HE21 GLN 13 -8.470 15.417 1.945
119 HE22 GLN 13 HE22 GLN 13 -10.155 14.937 1.908
120 H ASP 14 H ASP 14 -8.476 19.408 7.205
121 HA ASP 14 HA ASP 14 -7.812 19.367 10.018
122 HB2 ASP 14 HB2 ASP 14 -8.159 21.405 8.564
123 HB3 ASP 14 HB3 ASP 14 -9.876 21.001 8.468
124 HN1 NH2 15 HN1 NH2 15 -10.148 17.682 8.148
125 HN2 NH2 15 HN2 NH2 15 -11.284 17.314 9.429
Start of MODEL 15
1 H1 TRP 1 H1 TRP 1 3.980 1.296 -1.474
2 H2 TRP 1 H2 TRP 1 2.912 0.059 -1.706
3 H3 TRP 1 H3 TRP 1 4.205 -0.146 -0.711
4 HA TRP 1 HA TRP 1 2.221 0.130 0.575
5 HB2 TRP 1 HB2 TRP 1 3.003 1.815 2.055
6 HB3 TRP 1 HB3 TRP 1 4.413 0.991 1.414
7 HD1 TRP 1 HD1 TRP 1 6.081 2.421 -0.081
8 HE1 TRP 1 HE1 TRP 1 6.377 4.918 -0.511
9 HE3 TRP 1 HE3 TRP 1 1.637 4.092 1.811
10 HZ2 TRP 1 HZ2 TRP 1 4.864 7.346 -0.116
11 HZ3 TRP 1 HZ3 TRP 1 1.089 6.506 1.759
12 HH2 TRP 1 HH2 TRP 1 2.685 8.140 0.805
13 H TYR 2 H TYR 2 2.342 2.060 -2.248
14 HA TYR 2 HA TYR 2 0.930 4.306 -1.401
15 HB2 TYR 2 HB2 TYR 2 1.399 3.138 -4.107
16 HB3 TYR 2 HB3 TYR 2 0.361 4.541 -3.887
17 HD1 TYR 2 HD1 TYR 2 3.744 3.465 -4.277
18 HD2 TYR 2 HD2 TYR 2 1.283 6.558 -2.572
19 HE1 TYR 2 HE1 TYR 2 5.695 4.996 -4.241
20 HE2 TYR 2 HE2 TYR 2 3.228 8.092 -2.535
21 HH TYR 2 HH TYR 2 6.458 7.096 -3.720
22 H HIS 3 H HIS 3 -0.495 1.248 -1.562
23 HA HIS 3 HA HIS 3 -3.145 2.131 -2.298
24 HB2 HIS 3 HB2 HIS 3 -3.826 -0.033 -1.271
25 HB3 HIS 3 HB3 HIS 3 -2.561 -0.189 -2.496
26 HD2 HIS 3 HD2 HIS 3 -3.350 -1.269 0.965
27 HE1 HIS 3 HE1 HIS 3 0.864 -1.766 0.639
28 HE2 HIS 3 HE2 HIS 3 -1.200 -2.317 2.032
29 H ARG 4 H ARG 4 -1.181 2.431 0.565
30 HA ARG 4 HA ARG 4 -3.505 2.998 2.277
31 HB2 ARG 4 HB2 ARG 4 -0.533 3.073 2.896
32 HB3 ARG 4 HB3 ARG 4 -1.854 3.227 4.066
33 HG2 ARG 4 HG2 ARG 4 -2.666 0.942 3.340
34 HG3 ARG 4 HG3 ARG 4 -1.172 0.783 2.389
35 HD2 ARG 4 HD2 ARG 4 -1.358 1.230 5.395
36 HD3 ARG 4 HD3 ARG 4 -0.982 -0.303 4.600
37 HE ARG 4 HE ARG 4 1.120 0.615 3.826
38 HH11 ARG 4 HH11 ARG 4 -0.573 2.626 6.199
39 HH12 ARG 4 HH12 ARG 4 0.885 3.470 6.680
40 HH21 ARG 4 HH21 ARG 4 2.987 1.727 4.487
41 HH22 ARG 4 HH22 ARG 4 2.873 2.965 5.711
42 H LEU 5 H LEU 5 -1.952 4.733 -0.056
43 HA LEU 5 HA LEU 5 -1.172 7.144 1.219
44 HB2 LEU 5 HB2 LEU 5 -0.638 6.519 -1.124
45 HB3 LEU 5 HB3 LEU 5 -2.355 6.655 -1.543
46 HG LEU 5 HG LEU 5 -2.242 9.097 -0.810
47 HD11 LEU 5 HD11 LEU 5 0.736 8.434 -0.851
48 HD12 LEU 5 HD12 LEU 5 0.059 10.082 -0.844
49 HD13 LEU 5 HD13 LEU 5 -0.200 9.013 0.549
50 HD21 LEU 5 HD21 LEU 5 -2.215 8.389 -3.164
51 HD22 LEU 5 HD22 LEU 5 -1.170 9.806 -2.903
52 HD23 LEU 5 HD23 LEU 5 -0.445 8.196 -3.093
53 H SER 6 H SER 6 -4.365 5.946 0.203
54 HA SER 6 HA SER 6 -5.761 8.418 0.438
55 HB2 SER 6 HB2 SER 6 -6.654 6.466 -0.739
56 HB3 SER 6 HB3 SER 6 -6.699 5.547 0.786
57 HG SER 6 HG SER 6 -8.725 6.473 0.233
58 H HIS 7 H HIS 7 -4.610 6.116 2.874
59 HA HIS 7 HA HIS 7 -6.387 7.099 4.952
60 HB2 HIS 7 HB2 HIS 7 -3.827 5.466 5.123
61 HB3 HIS 7 HB3 HIS 7 -4.973 5.730 6.435
62 HD2 HIS 7 HD2 HIS 7 -6.676 3.832 6.749
63 HE1 HIS 7 HE1 HIS 7 -6.753 2.237 2.805
64 HE2 HIS 7 HE2 HIS 7 -7.656 1.979 5.175
65 H LEU 8 H LEU 8 -3.036 7.775 3.857
66 HA LEU 8 HA LEU 8 -2.358 9.435 6.118
67 HB2 LEU 8 HB2 LEU 8 -1.251 9.044 3.313
68 HB3 LEU 8 HB3 LEU 8 -0.668 10.344 4.360
69 HG LEU 8 HG LEU 8 -0.132 8.638 6.131
70 HD11 LEU 8 HD11 LEU 8 -0.640 6.688 3.845
71 HD12 LEU 8 HD12 LEU 8 0.166 6.297 5.382
72 HD13 LEU 8 HD13 LEU 8 -1.542 6.762 5.382
73 HD21 LEU 8 HD21 LEU 8 1.553 9.608 4.613
74 HD22 LEU 8 HD22 LEU 8 1.925 7.903 4.959
75 HD23 LEU 8 HD23 LEU 8 1.193 8.362 3.400
76 H HIS 9 H HIS 9 -3.563 10.125 2.783
77 HA HIS 9 HA HIS 9 -3.616 12.960 3.262
78 HB2 HIS 9 HB2 HIS 9 -4.727 11.156 1.099
79 HB3 HIS 9 HB3 HIS 9 -5.028 12.899 1.115
80 HD2 HIS 9 HD2 HIS 9 -3.463 14.048 -0.541
81 HE1 HIS 9 HE1 HIS 9 0.138 11.928 0.234
82 HE2 HIS 9 HE2 HIS 9 -0.917 13.813 -1.116
83 H SER 10 H SER 10 -5.761 10.414 4.227
84 HA SER 10 HA SER 10 -8.094 12.170 4.453
85 HB2 SER 10 HB2 SER 10 -8.420 9.799 4.078
86 HB3 SER 10 HB3 SER 10 -7.479 9.396 5.534
87 HG SER 10 HG SER 10 -9.753 9.389 5.886
88 H ARG 11 H ARG 11 -5.444 10.963 6.537
89 HA ARG 11 HA ARG 11 -6.517 12.263 8.921
90 HB2 ARG 11 HB2 ARG 11 -3.865 10.920 8.281
91 HB3 ARG 11 HB3 ARG 11 -4.298 11.547 9.882
92 HG2 ARG 11 HG2 ARG 11 -5.836 9.380 8.377
93 HG3 ARG 11 HG3 ARG 11 -4.681 9.101 9.689
94 HD2 ARG 11 HD2 ARG 11 -6.086 10.479 11.207
95 HD3 ARG 11 HD3 ARG 11 -7.276 10.677 9.905
96 HE ARG 11 HE ARG 11 -6.499 8.016 11.041
97 HH11 ARG 11 HH11 ARG 11 -8.995 10.276 9.937
98 HH12 ARG 11 HH12 ARG 11 -10.291 9.126 10.182
99 HH21 ARG 11 HH21 ARG 11 -8.208 6.559 11.346
100 HH22 ARG 11 HH22 ARG 11 -9.848 7.046 10.989
101 H LEU 12 H LEU 12 -4.784 13.325 6.172
102 HA LEU 12 HA LEU 12 -3.222 15.402 7.415
103 HB2 LEU 12 HB2 LEU 12 -2.731 14.521 5.173
104 HB3 LEU 12 HB3 LEU 12 -4.347 14.994 4.618
105 HG LEU 12 HG LEU 12 -3.740 17.405 5.045
106 HD11 LEU 12 HD11 LEU 12 -0.955 16.199 5.376
107 HD12 LEU 12 HD12 LEU 12 -1.324 17.932 5.238
108 HD13 LEU 12 HD13 LEU 12 -1.885 17.021 6.654
109 HD21 LEU 12 HD21 LEU 12 -1.997 15.841 3.113
110 HD22 LEU 12 HD22 LEU 12 -3.667 16.391 2.829
111 HD23 LEU 12 HD23 LEU 12 -2.357 17.583 3.027
112 H GLN 13 H GLN 13 -6.615 15.056 6.541
113 HA GLN 13 HA GLN 13 -7.172 17.821 6.136
114 HB2 GLN 13 HB2 GLN 13 -9.016 15.526 6.912
115 HB3 GLN 13 HB3 GLN 13 -9.536 17.113 6.306
116 HG2 GLN 13 HG2 GLN 13 -8.291 16.704 4.192
117 HG3 GLN 13 HG3 GLN 13 -7.799 15.111 4.791
118 HE21 GLN 13 HE21 GLN 13 -8.973 14.798 2.521
119 HE22 GLN 13 HE22 GLN 13 -10.661 14.358 2.647
120 H ASP 14 H ASP 14 -8.599 19.165 7.499
121 HA ASP 14 HA ASP 14 -8.581 18.524 10.356
122 HB2 ASP 14 HB2 ASP 14 -7.685 20.816 10.913
123 HB3 ASP 14 HB3 ASP 14 -6.539 19.629 10.302
124 HN1 NH2 15 HN1 NH2 15 -10.501 19.236 7.926
125 HN2 NH2 15 HN2 NH2 15 -11.667 20.269 8.729
Start of MODEL 16
1 H1 TRP 1 H1 TRP 1 3.912 1.091 -1.333
2 H2 TRP 1 H2 TRP 1 2.803 -0.105 -1.578
3 H3 TRP 1 H3 TRP 1 4.059 -0.344 -0.546
4 HA TRP 1 HA TRP 1 2.064 0.023 0.695
5 HB2 TRP 1 HB2 TRP 1 2.882 1.712 2.160
6 HB3 TRP 1 HB3 TRP 1 4.278 0.830 1.552
7 HD1 TRP 1 HD1 TRP 1 5.997 2.176 0.035
8 HE1 TRP 1 HE1 TRP 1 6.380 4.653 -0.430
9 HE3 TRP 1 HE3 TRP 1 1.590 4.020 1.850
10 HZ2 TRP 1 HZ2 TRP 1 4.952 7.146 -0.058
11 HZ3 TRP 1 HZ3 TRP 1 1.114 6.446 1.754
12 HH2 TRP 1 HH2 TRP 1 2.776 8.015 0.804
13 H TYR 2 H TYR 2 2.307 1.910 -2.159
14 HA TYR 2 HA TYR 2 0.953 4.212 -1.355
15 HB2 TYR 2 HB2 TYR 2 1.466 3.018 -4.036
16 HB3 TYR 2 HB3 TYR 2 0.444 4.445 -3.856
17 HD1 TYR 2 HD1 TYR 2 3.830 3.295 -4.085
18 HD2 TYR 2 HD2 TYR 2 1.354 6.472 -2.570
19 HE1 TYR 2 HE1 TYR 2 5.818 4.779 -3.959
20 HE2 TYR 2 HE2 TYR 2 3.330 7.967 -2.461
21 HH TYR 2 HH TYR 2 5.578 8.161 -2.798
22 H HIS 3 H HIS 3 -0.559 1.198 -1.538
23 HA HIS 3 HA HIS 3 -3.172 2.173 -2.324
24 HB2 HIS 3 HB2 HIS 3 -3.932 0.021 -1.337
25 HB3 HIS 3 HB3 HIS 3 -2.643 -0.170 -2.534
26 HD2 HIS 3 HD2 HIS 3 -3.585 -1.297 0.856
27 HE1 HIS 3 HE1 HIS 3 0.632 -1.859 0.710
28 HE2 HIS 3 HE2 HIS 3 -1.509 -2.412 1.993
29 H ARG 4 H ARG 4 -1.238 2.402 0.548
30 HA ARG 4 HA ARG 4 -3.546 3.002 2.273
31 HB2 ARG 4 HB2 ARG 4 -0.560 2.934 2.850
32 HB3 ARG 4 HB3 ARG 4 -1.842 3.224 4.042
33 HG2 ARG 4 HG2 ARG 4 -2.822 1.003 3.520
34 HG3 ARG 4 HG3 ARG 4 -1.486 0.697 2.374
35 HD2 ARG 4 HD2 ARG 4 0.143 0.969 4.207
36 HD3 ARG 4 HD3 ARG 4 -1.175 1.265 5.350
37 HE ARG 4 HE ARG 4 -2.001 -1.057 4.744
38 HH11 ARG 4 HH11 ARG 4 1.431 -0.222 4.512
39 HH12 ARG 4 HH12 ARG 4 1.963 -1.878 4.691
40 HH21 ARG 4 HH21 ARG 4 -1.273 -3.200 5.001
41 HH22 ARG 4 HH22 ARG 4 0.442 -3.547 4.985
42 H LEU 5 H LEU 5 -1.917 4.719 -0.056
43 HA LEU 5 HA LEU 5 -1.114 7.104 1.235
44 HB2 LEU 5 HB2 LEU 5 -0.569 6.496 -1.091
45 HB3 LEU 5 HB3 LEU 5 -2.281 6.652 -1.529
46 HG LEU 5 HG LEU 5 -2.146 9.084 -0.778
47 HD11 LEU 5 HD11 LEU 5 0.827 8.406 -0.836
48 HD12 LEU 5 HD12 LEU 5 0.154 10.055 -0.805
49 HD13 LEU 5 HD13 LEU 5 -0.104 8.965 0.576
50 HD21 LEU 5 HD21 LEU 5 -1.086 9.800 -2.858
51 HD22 LEU 5 HD22 LEU 5 -0.360 8.186 -3.072
52 HD23 LEU 5 HD23 LEU 5 -2.126 8.379 -3.131
53 H SER 6 H SER 6 -4.332 5.981 0.201
54 HA SER 6 HA SER 6 -5.673 8.483 0.436
55 HB2 SER 6 HB2 SER 6 -6.608 6.577 -0.774
56 HB3 SER 6 HB3 SER 6 -6.676 5.625 0.720
57 HG SER 6 HG SER 6 -8.090 8.024 0.167
58 H HIS 7 H HIS 7 -4.600 6.130 2.868
59 HA HIS 7 HA HIS 7 -6.387 7.107 4.937
60 HB2 HIS 7 HB2 HIS 7 -3.861 5.421 5.088
61 HB3 HIS 7 HB3 HIS 7 -5.009 5.696 6.401
62 HD2 HIS 7 HD2 HIS 7 -6.763 3.838 6.676
63 HE1 HIS 7 HE1 HIS 7 -6.867 2.302 2.714
64 HE2 HIS 7 HE2 HIS 7 -7.774 2.024 5.074
65 H LEU 8 H LEU 8 -3.037 7.778 3.858
66 HA LEU 8 HA LEU 8 -2.350 9.420 6.139
67 HB2 LEU 8 HB2 LEU 8 -1.259 9.056 3.324
68 HB3 LEU 8 HB3 LEU 8 -0.655 10.328 4.392
69 HG LEU 8 HG LEU 8 -0.092 8.610 6.116
70 HD11 LEU 8 HD11 LEU 8 -0.677 6.689 3.823
71 HD12 LEU 8 HD12 LEU 8 0.156 6.264 5.338
72 HD13 LEU 8 HD13 LEU 8 -1.545 6.756 5.380
73 HD21 LEU 8 HD21 LEU 8 1.544 9.587 4.567
74 HD22 LEU 8 HD22 LEU 8 1.932 7.881 4.898
75 HD23 LEU 8 HD23 LEU 8 1.167 8.340 3.358
76 H HIS 9 H HIS 9 -3.553 10.106 2.805
77 HA HIS 9 HA HIS 9 -3.632 12.939 3.274
78 HB2 HIS 9 HB2 HIS 9 -4.711 11.124 1.104
79 HB3 HIS 9 HB3 HIS 9 -5.014 12.867 1.116
80 HD2 HIS 9 HD2 HIS 9 -3.420 14.004 -0.537
81 HE1 HIS 9 HE1 HIS 9 0.172 11.894 0.314
82 HE2 HIS 9 HE2 HIS 9 -0.862 13.772 -1.062
83 H SER 10 H SER 10 -5.754 10.388 4.245
84 HA SER 10 HA SER 10 -8.093 12.143 4.476
85 HB2 SER 10 HB2 SER 10 -8.396 9.747 4.095
86 HB3 SER 10 HB3 SER 10 -7.486 9.367 5.574
87 HG SER 10 HG SER 10 -9.098 10.359 6.773
88 H ARG 11 H ARG 11 -5.373 11.037 6.498
89 HA ARG 11 HA ARG 11 -6.464 12.243 8.925
90 HB2 ARG 11 HB2 ARG 11 -3.779 11.016 8.197
91 HB3 ARG 11 HB3 ARG 11 -4.165 11.666 9.804
92 HG2 ARG 11 HG2 ARG 11 -6.024 10.093 10.048
93 HG3 ARG 11 HG3 ARG 11 -5.757 9.467 8.417
94 HD2 ARG 11 HD2 ARG 11 -4.752 7.958 10.051
95 HD3 ARG 11 HD3 ARG 11 -3.487 8.713 9.076
96 HE ARG 11 HE ARG 11 -2.730 9.891 10.953
97 HH11 ARG 11 HH11 ARG 11 -5.751 8.202 11.716
98 HH12 ARG 11 HH12 ARG 11 -5.579 8.460 13.438
99 HH21 ARG 11 HH21 ARG 11 -2.545 10.191 13.197
100 HH22 ARG 11 HH22 ARG 11 -3.778 9.576 14.269
101 H LEU 12 H LEU 12 -4.665 13.335 6.180
102 HA LEU 12 HA LEU 12 -3.218 15.490 7.383
103 HB2 LEU 12 HB2 LEU 12 -2.719 14.590 5.148
104 HB3 LEU 12 HB3 LEU 12 -4.346 15.017 4.601
105 HG LEU 12 HG LEU 12 -3.810 17.443 4.985
106 HD11 LEU 12 HD11 LEU 12 -0.992 16.330 5.354
107 HD12 LEU 12 HD12 LEU 12 -1.416 18.054 5.176
108 HD13 LEU 12 HD13 LEU 12 -1.951 17.151 6.605
109 HD21 LEU 12 HD21 LEU 12 -2.434 17.626 2.963
110 HD22 LEU 12 HD22 LEU 12 -2.025 15.893 3.078
111 HD23 LEU 12 HD23 LEU 12 -3.708 16.404 2.782
112 H GLN 13 H GLN 13 -6.601 15.021 6.611
113 HA GLN 13 HA GLN 13 -7.241 17.758 6.131
114 HB2 GLN 13 HB2 GLN 13 -9.052 15.483 7.049
115 HB3 GLN 13 HB3 GLN 13 -9.566 16.988 6.263
116 HG2 GLN 13 HG2 GLN 13 -7.865 14.776 5.040
117 HG3 GLN 13 HG3 GLN 13 -9.534 15.155 4.628
118 HE21 GLN 13 HE21 GLN 13 -7.155 15.101 2.874
119 HE22 GLN 13 HE22 GLN 13 -7.066 16.701 2.157
120 H ASP 14 H ASP 14 -6.329 16.225 9.003
121 HA ASP 14 HA ASP 14 -8.107 17.602 10.848
122 HB2 ASP 14 HB2 ASP 14 -6.878 15.405 11.214
123 HB3 ASP 14 HB3 ASP 14 -5.373 16.323 11.312
124 HN1 NH2 15 HN1 NH2 15 -5.452 18.571 8.873
125 HN2 NH2 15 HN2 NH2 15 -5.002 20.010 9.759
Start of MODEL 17
1 H1 TRP 1 H1 TRP 1 3.876 1.136 -1.425
2 H2 TRP 1 H2 TRP 1 2.763 -0.057 -1.670
3 H3 TRP 1 H3 TRP 1 4.024 -0.310 -0.652
4 HA TRP 1 HA TRP 1 2.045 0.060 0.615
5 HB2 TRP 1 HB2 TRP 1 2.869 1.749 2.070
6 HB3 TRP 1 HB3 TRP 1 4.251 0.850 1.469
7 HD1 TRP 1 HD1 TRP 1 5.993 2.166 -0.048
8 HE1 TRP 1 HE1 TRP 1 6.411 4.628 -0.536
9 HE3 TRP 1 HE3 TRP 1 1.612 4.079 1.750
10 HZ2 TRP 1 HZ2 TRP 1 5.004 7.144 -0.202
11 HZ3 TRP 1 HZ3 TRP 1 1.168 6.512 1.631
12 HH2 TRP 1 HH2 TRP 1 2.854 8.052 0.661
13 H TYR 2 H TYR 2 2.258 1.951 -2.239
14 HA TYR 2 HA TYR 2 0.903 4.251 -1.444
15 HB2 TYR 2 HB2 TYR 2 1.333 3.014 -4.125
16 HB3 TYR 2 HB3 TYR 2 0.341 4.451 -3.929
17 HD1 TYR 2 HD1 TYR 2 3.691 3.276 -4.306
18 HD2 TYR 2 HD2 TYR 2 1.325 6.455 -2.632
19 HE1 TYR 2 HE1 TYR 2 5.692 4.740 -4.270
20 HE2 TYR 2 HE2 TYR 2 3.325 7.928 -2.597
21 HH TYR 2 HH TYR 2 6.517 6.802 -3.778
22 H HIS 3 H HIS 3 -0.595 1.212 -1.593
23 HA HIS 3 HA HIS 3 -3.231 2.164 -2.314
24 HB2 HIS 3 HB2 HIS 3 -3.950 0.003 -1.324
25 HB3 HIS 3 HB3 HIS 3 -2.671 -0.177 -2.529
26 HD2 HIS 3 HD2 HIS 3 -3.562 -1.320 0.861
27 HE1 HIS 3 HE1 HIS 3 0.661 -1.789 0.700
28 HE2 HIS 3 HE2 HIS 3 -1.448 -2.385 1.989
29 H ARG 4 H ARG 4 -1.245 2.395 0.510
30 HA ARG 4 HA ARG 4 -3.511 2.984 2.295
31 HB2 ARG 4 HB2 ARG 4 -0.506 2.974 2.780
32 HB3 ARG 4 HB3 ARG 4 -1.760 3.210 4.016
33 HG2 ARG 4 HG2 ARG 4 -2.681 0.957 3.498
34 HG3 ARG 4 HG3 ARG 4 -1.390 0.722 2.300
35 HD2 ARG 4 HD2 ARG 4 -0.777 -0.373 4.384
36 HD3 ARG 4 HD3 ARG 4 0.309 0.985 4.071
37 HE ARG 4 HE ARG 4 -2.000 1.054 5.994
38 HH11 ARG 4 HH11 ARG 4 1.306 2.005 5.119
39 HH12 ARG 4 HH12 ARG 4 1.543 2.914 6.592
40 HH21 ARG 4 HH21 ARG 4 -1.636 2.237 7.903
41 HH22 ARG 4 HH22 ARG 4 -0.105 3.035 8.156
42 H LEU 5 H LEU 5 -1.940 4.717 -0.067
43 HA LEU 5 HA LEU 5 -1.117 7.096 1.223
44 HB2 LEU 5 HB2 LEU 5 -0.604 6.471 -1.119
45 HB3 LEU 5 HB3 LEU 5 -2.318 6.650 -1.535
46 HG LEU 5 HG LEU 5 -2.130 9.088 -0.763
47 HD11 LEU 5 HD11 LEU 5 0.825 8.354 -0.911
48 HD12 LEU 5 HD12 LEU 5 0.187 10.012 -0.827
49 HD13 LEU 5 HD13 LEU 5 -0.056 8.901 0.539
50 HD21 LEU 5 HD21 LEU 5 -0.438 8.129 -3.101
51 HD22 LEU 5 HD22 LEU 5 -2.193 8.417 -3.118
52 HD23 LEU 5 HD23 LEU 5 -1.079 9.781 -2.876
53 H SER 6 H SER 6 -4.340 5.968 0.213
54 HA SER 6 HA SER 6 -5.677 8.473 0.472
55 HB2 SER 6 HB2 SER 6 -6.609 6.529 -0.741
56 HB3 SER 6 HB3 SER 6 -6.686 5.613 0.777
57 HG SER 6 HG SER 6 -8.087 7.997 0.154
58 H HIS 7 H HIS 7 -4.592 6.108 2.879
59 HA HIS 7 HA HIS 7 -6.365 7.073 4.963
60 HB2 HIS 7 HB2 HIS 7 -3.828 5.405 5.101
61 HB3 HIS 7 HB3 HIS 7 -4.961 5.677 6.425
62 HD2 HIS 7 HD2 HIS 7 -6.703 3.802 6.718
63 HE1 HIS 7 HE1 HIS 7 -6.824 2.271 2.752
64 HE2 HIS 7 HE2 HIS 7 -7.713 1.984 5.124
65 H LEU 8 H LEU 8 -3.024 7.757 3.872
66 HA LEU 8 HA LEU 8 -2.340 9.396 6.163
67 HB2 LEU 8 HB2 LEU 8 -1.211 8.981 3.369
68 HB3 LEU 8 HB3 LEU 8 -0.622 10.275 4.427
69 HG LEU 8 HG LEU 8 -0.122 8.577 6.191
70 HD11 LEU 8 HD11 LEU 8 -0.636 6.617 3.910
71 HD12 LEU 8 HD12 LEU 8 0.141 6.213 5.456
72 HD13 LEU 8 HD13 LEU 8 -1.563 6.702 5.434
73 HD21 LEU 8 HD21 LEU 8 1.570 9.507 4.661
74 HD22 LEU 8 HD22 LEU 8 1.937 7.808 5.034
75 HD23 LEU 8 HD23 LEU 8 1.208 8.235 3.469
76 H HIS 9 H HIS 9 -3.521 10.057 2.815
77 HA HIS 9 HA HIS 9 -3.552 12.900 3.245
78 HB2 HIS 9 HB2 HIS 9 -4.639 11.064 1.100
79 HB3 HIS 9 HB3 HIS 9 -4.956 12.806 1.091
80 HD2 HIS 9 HD2 HIS 9 -3.378 13.929 -0.595
81 HE1 HIS 9 HE1 HIS 9 0.233 11.867 0.276
82 HE2 HIS 9 HE2 HIS 9 -0.821 13.711 -1.125
83 H SER 10 H SER 10 -5.747 10.388 4.204
84 HA SER 10 HA SER 10 -8.057 12.171 4.398
85 HB2 SER 10 HB2 SER 10 -8.410 9.786 4.068
86 HB3 SER 10 HB3 SER 10 -7.462 9.408 5.515
87 HG SER 10 HG SER 10 -9.916 10.835 5.401
88 H ARG 11 H ARG 11 -5.436 10.983 6.516
89 HA ARG 11 HA ARG 11 -6.500 12.260 8.896
90 HB2 ARG 11 HB2 ARG 11 -3.815 11.016 8.203
91 HB3 ARG 11 HB3 ARG 11 -4.216 11.669 9.802
92 HG2 ARG 11 HG2 ARG 11 -6.092 10.103 10.025
93 HG3 ARG 11 HG3 ARG 11 -5.803 9.477 8.395
94 HD2 ARG 11 HD2 ARG 11 -3.542 8.730 9.082
95 HD3 ARG 11 HD3 ARG 11 -3.828 9.347 10.714
96 HE ARG 11 HE ARG 11 -5.030 6.950 9.462
97 HH11 ARG 11 HH11 ARG 11 -4.957 9.142 12.234
98 HH12 ARG 11 HH12 ARG 11 -5.761 8.006 13.298
99 HH21 ARG 11 HH21 ARG 11 -6.049 5.485 10.880
100 HH22 ARG 11 HH22 ARG 11 -6.376 5.949 12.534
101 H LEU 12 H LEU 12 -4.723 13.358 6.153
102 HA LEU 12 HA LEU 12 -3.249 15.495 7.335
103 HB2 LEU 12 HB2 LEU 12 -2.808 14.636 5.092
104 HB3 LEU 12 HB3 LEU 12 -4.450 15.073 4.578
105 HG LEU 12 HG LEU 12 -3.890 17.495 4.993
106 HD11 LEU 12 HD11 LEU 12 -2.003 17.173 6.563
107 HD12 LEU 12 HD12 LEU 12 -1.071 16.359 5.278
108 HD13 LEU 12 HD13 LEU 12 -1.487 18.083 5.132
109 HD21 LEU 12 HD21 LEU 12 -3.848 16.518 2.772
110 HD22 LEU 12 HD22 LEU 12 -2.556 17.719 2.951
111 HD23 LEU 12 HD23 LEU 12 -2.164 15.981 3.011
112 H GLN 13 H GLN 13 -6.665 15.068 6.593
113 HA GLN 13 HA GLN 13 -7.308 17.817 6.224
114 HB2 GLN 13 HB2 GLN 13 -9.033 15.451 7.060
115 HB3 GLN 13 HB3 GLN 13 -9.652 17.020 6.517
116 HG2 GLN 13 HG2 GLN 13 -8.608 16.724 4.328
117 HG3 GLN 13 HG3 GLN 13 -7.854 15.204 4.847
118 HE21 GLN 13 HE21 GLN 13 -11.178 16.106 5.786
119 HE22 GLN 13 HE22 GLN 13 -11.967 14.886 4.812
120 H ASP 14 H ASP 14 -6.351 16.183 9.051
121 HA ASP 14 HA ASP 14 -8.069 17.514 10.965
122 HB2 ASP 14 HB2 ASP 14 -6.795 15.336 11.261
123 HB3 ASP 14 HB3 ASP 14 -5.301 16.281 11.332
124 HN1 NH2 15 HN1 NH2 15 -5.463 18.552 8.951
125 HN2 NH2 15 HN2 NH2 15 -4.990 19.973 9.863
Start of MODEL 18
1 H1 TRP 1 H1 TRP 1 3.133 1.992 -2.894
2 H2 TRP 1 H2 TRP 1 4.427 2.152 -1.898
3 H3 TRP 1 H3 TRP 1 3.596 3.486 -2.366
4 HA TRP 1 HA TRP 1 2.555 1.302 -0.699
5 HB2 TRP 1 HB2 TRP 1 2.931 2.587 1.161
6 HB3 TRP 1 HB3 TRP 1 4.301 3.116 0.185
7 HD1 TRP 1 HD1 TRP 1 1.262 4.323 1.933
8 HE1 TRP 1 HE1 TRP 1 0.879 6.826 1.590
9 HE3 TRP 1 HE3 TRP 1 4.653 5.111 -1.769
10 HZ2 TRP 1 HZ2 TRP 1 1.753 8.872 -0.295
11 HZ3 TRP 1 HZ3 TRP 1 4.868 7.358 -2.821
12 HH2 TRP 1 HH2 TRP 1 3.388 9.228 -2.086
13 H TYR 2 H TYR 2 1.596 2.980 -3.256
14 HA TYR 2 HA TYR 2 -0.152 4.926 -2.332
15 HB2 TYR 2 HB2 TYR 2 0.018 3.568 -4.994
16 HB3 TYR 2 HB3 TYR 2 -1.173 4.814 -4.645
17 HD1 TYR 2 HD1 TYR 2 1.837 4.452 -6.205
18 HD2 TYR 2 HD2 TYR 2 -0.004 6.857 -3.157
19 HE1 TYR 2 HE1 TYR 2 3.484 6.255 -6.636
20 HE2 TYR 2 HE2 TYR 2 1.655 8.650 -3.544
21 HH TYR 2 HH TYR 2 4.210 8.353 -6.052
22 H HIS 3 H HIS 3 -0.861 1.617 -2.051
23 HA HIS 3 HA HIS 3 -3.753 1.938 -2.185
24 HB2 HIS 3 HB2 HIS 3 -3.755 -0.279 -1.105
25 HB3 HIS 3 HB3 HIS 3 -2.722 -0.236 -2.540
26 HD2 HIS 3 HD2 HIS 3 -2.697 -1.502 0.889
27 HE1 HIS 3 HE1 HIS 3 1.427 -0.843 0.058
28 HE2 HIS 3 HE2 HIS 3 -0.233 -1.962 1.645
29 H ARG 4 H ARG 4 -1.315 2.855 0.044
30 HA ARG 4 HA ARG 4 -3.339 3.212 2.186
31 HB2 ARG 4 HB2 ARG 4 -0.317 2.960 2.413
32 HB3 ARG 4 HB3 ARG 4 -1.431 3.327 3.751
33 HG2 ARG 4 HG2 ARG 4 -2.611 1.166 3.321
34 HG3 ARG 4 HG3 ARG 4 -1.433 0.809 2.039
35 HD2 ARG 4 HD2 ARG 4 -0.766 -0.333 4.085
36 HD3 ARG 4 HD3 ARG 4 0.408 0.932 3.699
37 HE ARG 4 HE ARG 4 -0.240 2.131 5.601
38 HH11 ARG 4 HH11 ARG 4 -2.456 -0.591 5.083
39 HH12 ARG 4 HH12 ARG 4 -3.210 -0.410 6.648
40 HH21 ARG 4 HH21 ARG 4 -1.245 2.331 7.617
41 HH22 ARG 4 HH22 ARG 4 -2.535 1.236 8.074
42 H LEU 5 H LEU 5 -1.881 4.954 -0.251
43 HA LEU 5 HA LEU 5 -1.023 7.329 1.069
44 HB2 LEU 5 HB2 LEU 5 -0.467 7.130 -1.155
45 HB3 LEU 5 HB3 LEU 5 -2.099 6.670 -1.670
46 HG LEU 5 HG LEU 5 -1.767 9.404 -0.469
47 HD11 LEU 5 HD11 LEU 5 -0.941 8.768 -3.322
48 HD12 LEU 5 HD12 LEU 5 -1.038 10.369 -2.563
49 HD13 LEU 5 HD13 LEU 5 0.175 9.202 -2.001
50 HD21 LEU 5 HD21 LEU 5 -3.987 8.562 -1.287
51 HD22 LEU 5 HD22 LEU 5 -3.414 9.923 -2.276
52 HD23 LEU 5 HD23 LEU 5 -3.261 8.252 -2.877
53 H SER 6 H SER 6 -4.259 6.046 0.328
54 HA SER 6 HA SER 6 -5.674 8.495 0.847
55 HB2 SER 6 HB2 SER 6 -6.610 6.655 -0.478
56 HB3 SER 6 HB3 SER 6 -6.563 5.583 0.939
57 HG SER 6 HG SER 6 -8.618 6.545 0.621
58 H HIS 7 H HIS 7 -4.425 5.893 2.921
59 HA HIS 7 HA HIS 7 -6.084 6.522 5.185
60 HB2 HIS 7 HB2 HIS 7 -3.417 5.079 5.001
61 HB3 HIS 7 HB3 HIS 7 -4.488 5.097 6.409
62 HD2 HIS 7 HD2 HIS 7 -5.900 2.963 6.591
63 HE1 HIS 7 HE1 HIS 7 -6.326 1.986 2.470
64 HE2 HIS 7 HE2 HIS 7 -6.898 1.272 4.856
65 H LEU 8 H LEU 8 -3.064 7.821 3.900
66 HA LEU 8 HA LEU 8 -2.481 9.306 6.389
67 HB2 LEU 8 HB2 LEU 8 -1.150 8.963 3.684
68 HB3 LEU 8 HB3 LEU 8 -0.704 10.291 4.752
69 HG LEU 8 HG LEU 8 -0.172 8.693 6.567
70 HD11 LEU 8 HD11 LEU 8 -0.608 6.589 4.401
71 HD12 LEU 8 HD12 LEU 8 0.175 6.303 5.970
72 HD13 LEU 8 HD13 LEU 8 -1.539 6.751 5.916
73 HD21 LEU 8 HD21 LEU 8 1.543 9.571 5.023
74 HD22 LEU 8 HD22 LEU 8 1.921 7.906 5.515
75 HD23 LEU 8 HD23 LEU 8 1.234 8.227 3.902
76 H HIS 9 H HIS 9 -3.542 9.975 2.991
77 HA HIS 9 HA HIS 9 -3.549 12.813 3.406
78 HB2 HIS 9 HB2 HIS 9 -4.581 10.962 1.253
79 HB3 HIS 9 HB3 HIS 9 -4.990 12.681 1.249
80 HD2 HIS 9 HD2 HIS 9 -3.462 13.994 -0.317
81 HE1 HIS 9 HE1 HIS 9 0.215 11.965 0.326
82 HE2 HIS 9 HE2 HIS 9 -0.922 13.872 -0.919
83 H SER 10 H SER 10 -5.951 10.325 4.111
84 HA SER 10 HA SER 10 -8.134 12.250 4.270
85 HB2 SER 10 HB2 SER 10 -9.385 10.368 5.245
86 HB3 SER 10 HB3 SER 10 -8.586 9.900 3.735
87 HG SER 10 HG SER 10 -7.152 8.742 4.819
88 H ARG 11 H ARG 11 -5.481 11.314 6.301
89 HA ARG 11 HA ARG 11 -6.811 12.357 8.734
90 HB2 ARG 11 HB2 ARG 11 -4.152 10.937 8.296
91 HB3 ARG 11 HB3 ARG 11 -4.738 11.523 9.865
92 HG2 ARG 11 HG2 ARG 11 -6.742 10.089 9.676
93 HG3 ARG 11 HG3 ARG 11 -6.172 9.488 8.105
94 HD2 ARG 11 HD2 ARG 11 -4.102 8.646 9.197
95 HD3 ARG 11 HD3 ARG 11 -4.716 9.198 10.767
96 HE ARG 11 HE ARG 11 -5.765 6.956 9.111
97 HH11 ARG 11 HH11 ARG 11 -5.875 8.784 12.140
98 HH12 ARG 11 HH12 ARG 11 -6.815 7.559 12.970
99 HH21 ARG 11 HH21 ARG 11 -6.972 5.395 10.219
100 HH22 ARG 11 HH22 ARG 11 -7.434 5.655 11.889
101 H LEU 12 H LEU 12 -4.850 13.420 6.164
102 HA LEU 12 HA LEU 12 -3.281 15.402 7.580
103 HB2 LEU 12 HB2 LEU 12 -2.601 14.473 5.409
104 HB3 LEU 12 HB3 LEU 12 -4.121 15.011 4.680
105 HG LEU 12 HG LEU 12 -3.452 17.396 5.146
106 HD11 LEU 12 HD11 LEU 12 -0.780 16.078 5.812
107 HD12 LEU 12 HD12 LEU 12 -1.061 17.826 5.595
108 HD13 LEU 12 HD13 LEU 12 -1.812 16.963 6.954
109 HD21 LEU 12 HD21 LEU 12 -3.178 16.353 2.956
110 HD22 LEU 12 HD22 LEU 12 -1.853 17.482 3.287
111 HD23 LEU 12 HD23 LEU 12 -1.578 15.725 3.433
112 H GLN 13 H GLN 13 -6.571 15.206 6.413
113 HA GLN 13 HA GLN 13 -6.973 17.960 5.846
114 HB2 GLN 13 HB2 GLN 13 -9.034 15.884 6.694
115 HB3 GLN 13 HB3 GLN 13 -9.345 17.373 5.792
116 HG2 GLN 13 HG2 GLN 13 -7.733 14.963 4.855
117 HG3 GLN 13 HG3 GLN 13 -9.322 15.458 4.268
118 HE21 GLN 13 HE21 GLN 13 -6.713 15.084 2.840
119 HE22 GLN 13 HE22 GLN 13 -6.427 16.603 2.018
120 H ASP 14 H ASP 14 -8.498 19.412 7.021
121 HA ASP 14 HA ASP 14 -7.678 19.674 9.758
122 HB2 ASP 14 HB2 ASP 14 -9.554 21.260 8.008
123 HB3 ASP 14 HB3 ASP 14 -9.268 21.649 9.712
124 HN1 NH2 15 HN1 NH2 15 -9.984 17.611 8.586
125 HN2 NH2 15 HN2 NH2 15 -11.016 17.546 10.002
Start of MODEL 19
1 H1 TRP 1 H1 TRP 1 3.565 -0.239 -1.553
2 H2 TRP 1 H2 TRP 1 3.455 1.276 -2.186
3 H3 TRP 1 H3 TRP 1 2.281 0.157 -2.499
4 HA TRP 1 HA TRP 1 1.641 0.094 -0.195
5 HB2 TRP 1 HB2 TRP 1 2.587 1.593 1.393
6 HB3 TRP 1 HB3 TRP 1 3.911 0.711 0.654
7 HD1 TRP 1 HD1 TRP 1 5.650 2.122 -0.797
8 HE1 TRP 1 HE1 TRP 1 6.144 4.613 -1.020
9 HE3 TRP 1 HE3 TRP 1 1.412 3.971 1.372
10 HZ2 TRP 1 HZ2 TRP 1 4.850 7.120 -0.355
11 HZ3 TRP 1 HZ3 TRP 1 1.058 6.415 1.546
12 HH2 TRP 1 HH2 TRP 1 2.765 7.995 0.695
13 H TYR 2 H TYR 2 1.862 2.243 -2.863
14 HA TYR 2 HA TYR 2 0.631 4.501 -1.793
15 HB2 TYR 2 HB2 TYR 2 0.959 3.539 -4.602
16 HB3 TYR 2 HB3 TYR 2 0.030 4.988 -4.234
17 HD1 TYR 2 HD1 TYR 2 1.132 6.797 -2.753
18 HD2 TYR 2 HD2 TYR 2 3.312 3.716 -4.813
19 HE1 TYR 2 HE1 TYR 2 3.191 8.173 -2.617
20 HE2 TYR 2 HE2 TYR 2 5.381 5.088 -4.676
21 HH TYR 2 HH TYR 2 5.413 8.320 -3.144
22 H HIS 3 H HIS 3 -1.003 1.568 -2.214
23 HA HIS 3 HA HIS 3 -3.614 2.699 -2.754
24 HB2 HIS 3 HB2 HIS 3 -4.406 0.490 -1.974
25 HB3 HIS 3 HB3 HIS 3 -3.156 0.380 -3.227
26 HD2 HIS 3 HD2 HIS 3 -4.043 -1.047 0.054
27 HE1 HIS 3 HE1 HIS 3 0.146 -1.728 -0.271
28 HE2 HIS 3 HE2 HIS 3 -1.966 -2.338 1.019
29 H ARG 4 H ARG 4 -1.550 2.548 0.035
30 HA ARG 4 HA ARG 4 -3.768 3.093 1.900
31 HB2 ARG 4 HB2 ARG 4 -0.772 2.783 2.346
32 HB3 ARG 4 HB3 ARG 4 -1.978 3.066 3.613
33 HG2 ARG 4 HG2 ARG 4 -3.140 0.957 2.979
34 HG3 ARG 4 HG3 ARG 4 -1.919 0.673 1.722
35 HD2 ARG 4 HD2 ARG 4 -1.368 -0.627 3.725
36 HD3 ARG 4 HD3 ARG 4 -0.145 0.617 3.446
37 HE ARG 4 HE ARG 4 -0.794 1.716 5.396
38 HH11 ARG 4 HH11 ARG 4 -3.113 -0.846 4.641
39 HH12 ARG 4 HH12 ARG 4 -3.916 -0.735 6.193
40 HH21 ARG 4 HH21 ARG 4 -1.854 1.832 7.404
41 HH22 ARG 4 HH22 ARG 4 -3.199 0.765 7.748
42 H LEU 5 H LEU 5 -2.206 4.973 -0.310
43 HA LEU 5 HA LEU 5 -1.144 7.130 1.176
44 HB2 LEU 5 HB2 LEU 5 -0.852 6.764 -1.265
45 HB3 LEU 5 HB3 LEU 5 -2.570 7.098 -1.508
46 HG LEU 5 HG LEU 5 -2.159 9.409 -0.481
47 HD11 LEU 5 HD11 LEU 5 0.731 8.518 -0.921
48 HD12 LEU 5 HD12 LEU 5 0.220 10.185 -0.600
49 HD13 LEU 5 HD13 LEU 5 -0.017 8.935 0.642
50 HD21 LEU 5 HD21 LEU 5 -2.408 9.026 -2.894
51 HD22 LEU 5 HD22 LEU 5 -1.203 10.288 -2.565
52 HD23 LEU 5 HD23 LEU 5 -0.669 8.657 -3.025
53 H SER 6 H SER 6 -4.503 6.337 0.289
54 HA SER 6 HA SER 6 -5.640 8.855 1.020
55 HB2 SER 6 HB2 SER 6 -6.796 7.228 -0.400
56 HB3 SER 6 HB3 SER 6 -6.818 6.053 0.931
57 HG SER 6 HG SER 6 -8.100 8.585 0.878
58 H HIS 7 H HIS 7 -4.619 6.032 2.925
59 HA HIS 7 HA HIS 7 -6.161 6.760 5.258
60 HB2 HIS 7 HB2 HIS 7 -3.760 4.925 4.920
61 HB3 HIS 7 HB3 HIS 7 -4.780 5.026 6.360
62 HD2 HIS 7 HD2 HIS 7 -6.618 3.229 6.479
63 HE1 HIS 7 HE1 HIS 7 -7.165 2.452 2.334
64 HE2 HIS 7 HE2 HIS 7 -7.888 1.802 4.693
65 H LEU 8 H LEU 8 -3.046 7.704 3.926
66 HA LEU 8 HA LEU 8 -2.116 8.853 6.479
67 HB2 LEU 8 HB2 LEU 8 -1.030 8.664 3.649
68 HB3 LEU 8 HB3 LEU 8 -0.354 9.800 4.825
69 HG LEU 8 HG LEU 8 0.032 7.879 6.401
70 HD11 LEU 8 HD11 LEU 8 -1.529 6.208 5.434
71 HD12 LEU 8 HD12 LEU 8 -0.596 6.233 3.916
72 HD13 LEU 8 HD13 LEU 8 0.135 5.601 5.410
73 HD21 LEU 8 HD21 LEU 8 1.780 8.883 4.970
74 HD22 LEU 8 HD22 LEU 8 2.049 7.133 5.172
75 HD23 LEU 8 HD23 LEU 8 1.353 7.761 3.663
76 H HIS 9 H HIS 9 -3.368 9.973 3.268
77 HA HIS 9 HA HIS 9 -3.069 12.745 4.017
78 HB2 HIS 9 HB2 HIS 9 -4.358 11.275 1.715
79 HB3 HIS 9 HB3 HIS 9 -4.563 13.018 1.930
80 HD2 HIS 9 HD2 HIS 9 -2.954 14.295 0.405
81 HE1 HIS 9 HE1 HIS 9 0.511 11.858 0.767
82 HE2 HIS 9 HE2 HIS 9 -0.449 13.977 -0.282
83 H SER 10 H SER 10 -5.752 10.405 4.307
84 HA SER 10 HA SER 10 -7.784 12.328 4.866
85 HB2 SER 10 HB2 SER 10 -8.291 10.009 4.318
86 HB3 SER 10 HB3 SER 10 -7.429 9.442 5.762
87 HG SER 10 HG SER 10 -9.760 11.048 5.678
88 H ARG 11 H ARG 11 -5.060 11.215 6.734
89 HA ARG 11 HA ARG 11 -6.155 12.090 9.299
90 HB2 ARG 11 HB2 ARG 11 -3.438 11.053 8.413
91 HB3 ARG 11 HB3 ARG 11 -3.809 11.544 10.085
92 HG2 ARG 11 HG2 ARG 11 -5.610 9.887 10.205
93 HG3 ARG 11 HG3 ARG 11 -5.313 9.408 8.518
94 HD2 ARG 11 HD2 ARG 11 -3.005 8.740 9.120
95 HD3 ARG 11 HD3 ARG 11 -3.304 9.204 10.799
96 HE ARG 11 HE ARG 11 -4.551 6.916 9.336
97 HH11 ARG 11 HH11 ARG 11 -3.909 8.591 12.389
98 HH12 ARG 11 HH12 ARG 11 -4.457 7.246 13.366
99 HH21 ARG 11 HH21 ARG 11 -5.243 5.199 10.635
100 HH22 ARG 11 HH22 ARG 11 -5.212 5.335 12.381
101 H LEU 12 H LEU 12 -5.534 13.900 6.799
102 HA LEU 12 HA LEU 12 -4.511 16.159 8.423
103 HB2 LEU 12 HB2 LEU 12 -2.522 15.224 7.323
104 HB3 LEU 12 HB3 LEU 12 -3.379 15.182 5.774
105 HG LEU 12 HG LEU 12 -3.578 17.698 5.869
106 HD11 LEU 12 HD11 LEU 12 -1.601 17.314 8.165
107 HD12 LEU 12 HD12 LEU 12 -2.000 18.870 7.395
108 HD13 LEU 12 HD13 LEU 12 -3.243 17.989 8.309
109 HD21 LEU 12 HD21 LEU 12 -1.891 16.567 4.521
110 HD22 LEU 12 HD22 LEU 12 -1.225 18.059 5.218
111 HD23 LEU 12 HD23 LEU 12 -0.790 16.481 5.922
112 H GLN 13 H GLN 13 -6.071 14.892 5.511
113 HA GLN 13 HA GLN 13 -6.832 17.322 4.303
114 HB2 GLN 13 HB2 GLN 13 -6.730 15.175 3.158
115 HB3 GLN 13 HB3 GLN 13 -7.980 14.514 4.227
116 HG2 GLN 13 HG2 GLN 13 -8.905 15.058 2.049
117 HG3 GLN 13 HG3 GLN 13 -9.639 16.064 3.303
118 HE21 GLN 13 HE21 GLN 13 -10.177 17.889 2.088
119 HE22 GLN 13 HE22 GLN 13 -9.006 18.858 1.217
120 H ASP 14 H ASP 14 -8.957 18.314 4.183
121 HA ASP 14 HA ASP 14 -10.700 19.313 5.095
122 HB2 ASP 14 HB2 ASP 14 -11.330 16.505 5.938
123 HB3 ASP 14 HB3 ASP 14 -12.424 17.858 6.237
124 HN1 NH2 15 HN1 NH2 15 -8.204 19.019 6.910
125 HN2 NH2 15 HN2 NH2 15 -8.811 19.641 8.425
Start of MODEL 20
1 H1 TRP 1 H1 TRP 1 2.801 -0.025 -1.558
2 H2 TRP 1 H2 TRP 1 4.085 -0.224 -0.548
3 H3 TRP 1 H3 TRP 1 3.901 1.188 -1.364
4 HA TRP 1 HA TRP 1 2.112 0.158 0.728
5 HB2 TRP 1 HB2 TRP 1 2.937 1.871 2.131
6 HB3 TRP 1 HB3 TRP 1 4.339 1.019 1.495
7 HD1 TRP 1 HD1 TRP 1 5.969 2.404 -0.090
8 HE1 TRP 1 HE1 TRP 1 6.255 4.889 -0.599
9 HE3 TRP 1 HE3 TRP 1 1.579 4.132 1.866
10 HZ2 TRP 1 HZ2 TRP 1 4.742 7.340 -0.233
11 HZ3 TRP 1 HZ3 TRP 1 1.018 6.535 1.752
12 HH2 TRP 1 HH2 TRP 1 2.579 8.147 0.698
13 H TYR 2 H TYR 2 2.280 1.952 -2.189
14 HA TYR 2 HA TYR 2 0.881 4.246 -1.445
15 HB2 TYR 2 HB2 TYR 2 1.394 2.987 -4.100
16 HB3 TYR 2 HB3 TYR 2 0.340 4.391 -3.943
17 HD1 TYR 2 HD1 TYR 2 3.735 3.319 -4.229
18 HD2 TYR 2 HD2 TYR 2 1.225 6.452 -2.693
19 HE1 TYR 2 HE1 TYR 2 5.687 4.857 -4.189
20 HE2 TYR 2 HE2 TYR 2 3.158 7.998 -2.646
21 HH TYR 2 HH TYR 2 5.392 8.260 -3.092
22 H HIS 3 H HIS 3 -0.566 1.183 -1.550
23 HA HIS 3 HA HIS 3 -3.207 2.085 -2.300
24 HB2 HIS 3 HB2 HIS 3 -3.908 -0.073 -1.286
25 HB3 HIS 3 HB3 HIS 3 -2.627 -0.248 -2.491
26 HD2 HIS 3 HD2 HIS 3 -3.518 -1.354 0.910
27 HE1 HIS 3 HE1 HIS 3 0.707 -1.805 0.763
28 HE2 HIS 3 HE2 HIS 3 -1.404 -2.391 2.060
29 H ARG 4 H ARG 4 -1.236 2.422 0.521
30 HA ARG 4 HA ARG 4 -3.540 3.007 2.266
31 HB2 ARG 4 HB2 ARG 4 -0.549 2.960 2.816
32 HB3 ARG 4 HB3 ARG 4 -1.822 3.230 4.025
33 HG2 ARG 4 HG2 ARG 4 -2.768 0.985 3.506
34 HG3 ARG 4 HG3 ARG 4 -1.461 0.721 2.330
35 HD2 ARG 4 HD2 ARG 4 -0.886 -0.374 4.420
36 HD3 ARG 4 HD3 ARG 4 0.215 0.975 4.135
37 HE ARG 4 HE ARG 4 -2.134 1.075 6.010
38 HH11 ARG 4 HH11 ARG 4 1.197 1.965 5.209
39 HH12 ARG 4 HH12 ARG 4 1.416 2.880 6.685
40 HH21 ARG 4 HH21 ARG 4 -1.798 2.235 7.920
41 HH22 ARG 4 HH22 ARG 4 -0.259 3.012 8.217
42 H LEU 5 H LEU 5 -1.940 4.696 -0.084
43 HA LEU 5 HA LEU 5 -1.079 7.089 1.150
44 HB2 LEU 5 HB2 LEU 5 -0.613 6.500 -1.189
45 HB3 LEU 5 HB3 LEU 5 -2.344 6.549 -1.560
46 HG LEU 5 HG LEU 5 -2.364 8.993 -0.907
47 HD11 LEU 5 HD11 LEU 5 0.655 8.532 -0.946
48 HD12 LEU 5 HD12 LEU 5 -0.135 10.126 -0.933
49 HD13 LEU 5 HD13 LEU 5 -0.317 9.036 0.464
50 HD21 LEU 5 HD21 LEU 5 -2.280 8.260 -3.241
51 HD22 LEU 5 HD22 LEU 5 -1.335 9.741 -2.994
52 HD23 LEU 5 HD23 LEU 5 -0.501 8.172 -3.157
53 H SER 6 H SER 6 -4.360 6.024 0.190
54 HA SER 6 HA SER 6 -5.553 8.614 0.489
55 HB2 SER 6 HB2 SER 6 -7.651 7.389 0.324
56 HB3 SER 6 HB3 SER 6 -6.496 6.785 -0.882
57 HG SER 6 HG SER 6 -7.116 5.595 1.625
58 H HIS 7 H HIS 7 -4.542 6.198 2.812
59 HA HIS 7 HA HIS 7 -6.394 7.083 4.887
60 HB2 HIS 7 HB2 HIS 7 -3.885 5.377 5.050
61 HB3 HIS 7 HB3 HIS 7 -5.073 5.604 6.333
62 HD2 HIS 7 HD2 HIS 7 -6.789 3.708 6.499
63 HE1 HIS 7 HE1 HIS 7 -6.819 2.369 2.457
64 HE2 HIS 7 HE2 HIS 7 -7.761 1.970 4.799
65 H LEU 8 H LEU 8 -3.049 7.780 3.837
66 HA LEU 8 HA LEU 8 -2.381 9.372 6.167
67 HB2 LEU 8 HB2 LEU 8 -1.234 9.018 3.374
68 HB3 LEU 8 HB3 LEU 8 -0.661 10.298 4.454
69 HG LEU 8 HG LEU 8 -0.138 8.575 6.195
70 HD11 LEU 8 HD11 LEU 8 -0.627 6.650 3.880
71 HD12 LEU 8 HD12 LEU 8 0.151 6.240 5.432
72 HD13 LEU 8 HD13 LEU 8 -1.557 6.705 5.407
73 HD21 LEU 8 HD21 LEU 8 1.526 9.577 4.687
74 HD22 LEU 8 HD22 LEU 8 1.927 7.881 5.048
75 HD23 LEU 8 HD23 LEU 8 1.201 8.319 3.476
76 H HIS 9 H HIS 9 -3.538 10.115 2.807
77 HA HIS 9 HA HIS 9 -3.609 12.936 3.329
78 HB2 HIS 9 HB2 HIS 9 -4.722 11.159 1.156
79 HB3 HIS 9 HB3 HIS 9 -5.040 12.906 1.205
80 HD2 HIS 9 HD2 HIS 9 -3.449 14.173 -0.355
81 HE1 HIS 9 HE1 HIS 9 0.120 11.944 0.247
82 HE2 HIS 9 HE2 HIS 9 -0.915 13.941 -0.960
83 H SER 10 H SER 10 -5.782 10.368 4.223
84 HA SER 10 HA SER 10 -8.103 12.108 4.497
85 HB2 SER 10 HB2 SER 10 -8.371 9.701 4.147
86 HB3 SER 10 HB3 SER 10 -7.448 9.356 5.624
87 HG SER 10 HG SER 10 -9.057 10.335 6.827
88 H ARG 11 H ARG 11 -5.367 11.058 6.503
89 HA ARG 11 HA ARG 11 -6.443 12.298 8.931
90 HB2 ARG 11 HB2 ARG 11 -3.775 11.009 8.236
91 HB3 ARG 11 HB3 ARG 11 -4.178 11.652 9.834
92 HG2 ARG 11 HG2 ARG 11 -5.728 9.446 8.413
93 HG3 ARG 11 HG3 ARG 11 -4.494 9.196 9.665
94 HD2 ARG 11 HD2 ARG 11 -5.856 10.547 11.249
95 HD3 ARG 11 HD3 ARG 11 -7.110 10.715 10.012
96 HE ARG 11 HE ARG 11 -7.690 8.451 10.243
97 HH11 ARG 11 HH11 ARG 11 -4.960 9.284 12.339
98 HH12 ARG 11 HH12 ARG 11 -5.117 7.829 13.296
99 HH21 ARG 11 HH21 ARG 11 -7.858 6.573 11.516
100 HH22 ARG 11 HH22 ARG 11 -6.737 6.303 12.835
101 H LEU 12 H LEU 12 -4.771 13.396 6.147
102 HA LEU 12 HA LEU 12 -3.249 15.528 7.352
103 HB2 LEU 12 HB2 LEU 12 -2.758 14.655 5.116
104 HB3 LEU 12 HB3 LEU 12 -4.398 15.046 4.580
105 HG LEU 12 HG LEU 12 -3.886 17.489 4.966
106 HD11 LEU 12 HD11 LEU 12 -1.049 16.409 5.289
107 HD12 LEU 12 HD12 LEU 12 -1.496 18.127 5.128
108 HD13 LEU 12 HD13 LEU 12 -2.011 17.211 6.557
109 HD21 LEU 12 HD21 LEU 12 -3.807 16.461 2.760
110 HD22 LEU 12 HD22 LEU 12 -2.542 17.698 2.926
111 HD23 LEU 12 HD23 LEU 12 -2.111 15.974 3.028
112 H GLN 13 H GLN 13 -6.630 15.047 6.562
113 HA GLN 13 HA GLN 13 -7.366 17.750 6.104
114 HB2 GLN 13 HB2 GLN 13 -8.986 15.377 7.104
115 HB3 GLN 13 HB3 GLN 13 -9.681 16.899 6.507
116 HG2 GLN 13 HG2 GLN 13 -8.671 16.548 4.300
117 HG3 GLN 13 HG3 GLN 13 -7.881 15.069 4.878
118 HE21 GLN 13 HE21 GLN 13 -9.805 13.715 6.259
119 HE22 GLN 13 HE22 GLN 13 -11.171 13.348 5.226
120 H ASP 14 H ASP 14 -8.731 19.126 7.485
121 HA ASP 14 HA ASP 14 -7.614 19.393 10.146
122 HB2 ASP 14 HB2 ASP 14 -8.289 21.254 8.557
123 HB3 ASP 14 HB3 ASP 14 -9.977 20.800 8.818
124 HN1 NH2 15 HN1 NH2 15 -10.155 17.490 8.811
125 HN2 NH2 15 HN2 NH2 15 -11.058 17.217 10.290