Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
586270 | 2mlj RC | 19823 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 2.121 -0.499 0.093
2 HA SER 1 HA SER 1 1.676 -0.332 -2.781
3 HB2 SER 1 HB2 SER 1 3.987 0.543 -3.320
4 HB3 SER 1 HB3 SER 1 2.939 1.768 -2.544
5 HG SER 1 HG SER 1 5.100 1.614 -1.508
6 H ILE 2 H ILE 2 4.674 -0.930 -0.772
7 HA ILE 2 HA ILE 2 4.400 -3.848 -1.400
8 HB ILE 2 HB ILE 2 6.885 -3.867 -1.943
9 HG12 ILE 2 HG12 ILE 2 7.973 -1.809 -2.777
10 HG13 ILE 2 HG13 ILE 2 6.564 -0.817 -2.350
11 HG21 ILE 2 HG21 ILE 2 5.117 -2.283 -3.894
12 HG22 ILE 2 HG22 ILE 2 6.591 -3.195 -4.314
13 HG23 ILE 2 HG23 ILE 2 5.152 -4.061 -3.727
14 HD11 ILE 2 HD11 ILE 2 8.461 -0.591 -0.714
15 HD12 ILE 2 HD12 ILE 2 7.013 -1.226 0.089
16 HD13 ILE 2 HD13 ILE 2 8.357 -2.331 -0.338
17 H GLY 3 H GLY 3 3.713 -2.364 1.029
18 HA2 GLY 3 HA3 GLY 3 5.923 -3.349 2.812
19 HA3 GLY 3 HA2 GLY 3 4.758 -2.065 3.185
20 H ASP 4 H ASP 4 5.061 -4.309 4.846
21 HA ASP 4 HA ASP 4 2.394 -5.527 4.542
22 HB2 ASP 4 HB2 ASP 4 4.909 -6.796 4.770
23 HB3 ASP 4 HB3 ASP 4 4.080 -7.049 6.303
24 H SER 5 H SER 5 3.601 -3.092 6.037
25 HA SER 5 HA SER 5 3.429 -3.539 8.794
26 HB2 SER 5 HB2 SER 5 4.294 -1.465 7.530
27 HB3 SER 5 HB3 SER 5 2.610 -0.943 7.500
28 HG SER 5 HG SER 5 3.412 -0.089 9.338
29 H GLY 6 H GLY 6 1.624 -1.894 9.927
30 HA2 GLY 6 HA3 GLY 6 -0.899 -3.281 9.348
31 HA3 GLY 6 HA2 GLY 6 -0.490 -2.478 10.857
32 H LEU 7 H LEU 7 0.392 -0.377 8.198
33 HA LEU 7 HA LEU 7 -2.193 1.123 8.578
34 HB2 LEU 7 HB2 LEU 7 0.562 2.087 7.641
35 HB3 LEU 7 HB3 LEU 7 -0.964 2.979 7.442
36 HG LEU 7 HG LEU 7 -1.316 2.938 9.955
37 HD11 LEU 7 HD11 LEU 7 0.150 1.004 10.591
38 HD12 LEU 7 HD12 LEU 7 0.687 2.482 11.418
39 HD13 LEU 7 HD13 LEU 7 1.587 1.885 9.995
40 HD21 LEU 7 HD21 LEU 7 0.335 4.762 10.409
41 HD22 LEU 7 HD22 LEU 7 -0.401 4.950 8.799
42 HD23 LEU 7 HD23 LEU 7 1.257 4.298 8.948
43 H ARG 8 H ARG 8 -3.642 0.711 6.774
44 HA ARG 8 HA ARG 8 -2.521 -0.706 4.531
45 HB2 ARG 8 HB2 ARG 8 -5.282 0.611 4.784
46 HB3 ARG 8 HB3 ARG 8 -4.693 -0.227 3.332
47 HG2 ARG 8 HG2 ARG 8 -6.059 -1.798 4.500
48 HG3 ARG 8 HG3 ARG 8 -4.389 -2.360 4.660
49 HD2 ARG 8 HD2 ARG 8 -4.267 -1.570 6.970
50 HD3 ARG 8 HD3 ARG 8 -5.822 -0.758 6.901
51 HE ARG 8 HE ARG 8 -5.252 -3.612 7.305
52 HH11 ARG 8 HH11 ARG 8 -7.807 -1.373 6.057
53 HH12 ARG 8 HH12 ARG 8 -9.065 -2.560 6.357
54 HH21 ARG 8 HH21 ARG 8 -6.939 -5.040 7.625
55 HH22 ARG 8 HH22 ARG 8 -8.595 -4.584 7.222
56 H GLU 9 H GLU 9 -2.235 0.243 2.260
57 HA GLU 9 HA GLU 9 -1.161 2.915 2.475
58 HB2 GLU 9 HB2 GLU 9 -1.821 1.389 -0.111
59 HB3 GLU 9 HB3 GLU 9 -0.940 2.933 0.015
60 HG2 GLU 9 HG2 GLU 9 0.879 1.765 1.348
61 HG3 GLU 9 HG3 GLU 9 -0.014 0.243 1.172
62 H SER 10 H SER 10 -4.143 1.393 1.025
63 HA SER 10 HA SER 10 -5.358 4.130 0.875
64 HB2 SER 10 HB2 SER 10 -6.383 3.442 -1.303
65 HB3 SER 10 HB3 SER 10 -4.607 3.502 -1.412
66 HG SER 10 HG SER 10 -4.659 1.154 -1.268
67 H MET 11 H MET 11 -7.819 3.933 0.607
68 HA MET 11 HA MET 11 -8.673 2.412 2.907
69 HB2 MET 11 HB2 MET 11 -10.304 3.847 0.748
70 HB3 MET 11 HB3 MET 11 -10.991 3.222 2.264
71 HG2 MET 11 HG2 MET 11 -8.744 5.364 2.280
72 HG3 MET 11 HG3 MET 11 -10.474 5.747 2.185
73 HE1 MET 11 HE1 MET 11 -8.453 3.200 5.139
74 HE2 MET 11 HE2 MET 11 -7.554 4.519 4.309
75 HE3 MET 11 HE3 MET 11 -8.203 4.764 5.960
76 H SER 12 H SER 12 -8.929 1.872 -0.693
77 HA SER 12 HA SER 12 -10.852 -0.284 -0.235
78 HB2 SER 12 HB2 SER 12 -10.965 1.201 -2.221
79 HB3 SER 12 HB3 SER 12 -9.436 0.520 -2.838
80 HG SER 12 HG SER 12 -10.606 -1.575 -2.864
81 H SER 13 H SER 13 -7.368 -0.173 -1.485
82 HA SER 13 HA SER 13 -7.421 -3.029 -1.874
83 HB2 SER 13 HB2 SER 13 -5.905 -1.480 -3.148
84 HB3 SER 13 HB3 SER 13 -4.967 -1.221 -1.642
85 HG SER 13 HG SER 13 -4.083 -3.002 -2.966
86 H GLN 14 H GLN 14 -5.416 -4.373 -0.860
87 HA GLN 14 HA GLN 14 -5.420 -3.903 2.112
88 HB2 GLN 14 HB2 GLN 14 -5.450 -6.309 2.442
89 HB3 GLN 14 HB3 GLN 14 -6.944 -5.780 1.638
90 HG2 GLN 14 HG2 GLN 14 -4.601 -6.977 0.020
91 HG3 GLN 14 HG3 GLN 14 -5.830 -7.978 0.826
92 HE21 GLN 14 HE21 GLN 14 -6.120 -8.755 -1.505
93 HE22 GLN 14 HE22 GLN 14 -7.245 -7.865 -2.460
94 H THR 15 H THR 15 -3.514 -2.626 0.667
95 HA THR 15 HA THR 15 -1.111 -4.365 1.199
96 HB THR 15 HB THR 15 -1.335 -3.992 -1.217
97 HG1 THR 15 HG1 THR 15 0.874 -3.134 -1.338
98 HG21 THR 15 HG21 THR 15 -2.524 -1.762 -1.299
99 HG22 THR 15 HG22 THR 15 -0.980 -1.665 -2.174
100 HG23 THR 15 HG23 THR 15 -1.120 -0.987 -0.536
101 H TYR 16 H TYR 16 0.897 -2.793 1.718
102 HA TYR 16 HA TYR 16 -0.154 -0.624 3.514
103 HB2 TYR 16 HB2 TYR 16 1.780 -2.832 4.379
104 HB3 TYR 16 HB3 TYR 16 1.108 -1.561 5.405
105 HD1 TYR 16 HD2 TYR 16 0.260 -4.617 3.353
106 HD2 TYR 16 HD1 TYR 16 -1.096 -1.957 6.445
107 HE1 TYR 16 HE2 TYR 16 -1.638 -6.118 3.827
108 HE2 TYR 16 HE1 TYR 16 -2.818 -3.574 7.084
109 HH TYR 16 HH TYR 16 -3.807 -5.713 6.618
110 H TRP 17 H TRP 17 1.636 0.847 4.319
111 HA TRP 17 HA TRP 17 3.604 1.207 2.161
112 HB2 TRP 17 HB2 TRP 17 3.108 2.757 4.771
113 HB3 TRP 17 HB3 TRP 17 4.355 3.214 3.603
114 HD1 TRP 17 HD1 TRP 17 0.875 4.027 4.341
115 HE1 TRP 17 HE1 TRP 17 -0.217 5.223 2.413
116 HE3 TRP 17 HE3 TRP 17 4.351 3.043 0.602
117 HZ2 TRP 17 HZ2 TRP 17 0.138 5.626 -0.263
118 HZ3 TRP 17 HZ3 TRP 17 3.875 3.971 -1.664
119 HH2 TRP 17 HH2 TRP 17 1.767 5.182 -2.112
120 HA PRO 18 HA PRO 18 6.634 -1.117 4.633
121 HB2 PRO 18 HB2 PRO 18 9.034 -0.264 3.601
122 HB3 PRO 18 HB3 PRO 18 7.835 -1.061 2.534
123 HG2 PRO 18 HG2 PRO 18 8.174 1.958 2.938
124 HG3 PRO 18 HG3 PRO 18 8.286 1.090 1.377
125 HD2 PRO 18 HD2 PRO 18 5.945 2.243 2.180
126 HD3 PRO 18 HD3 PRO 18 5.867 0.615 1.403
Start of MODEL 2
1 H1 SER 1 H SER 1 2.308 -0.322 0.124
2 HA SER 1 HA SER 1 1.793 -0.040 -2.754
3 HB2 SER 1 HB2 SER 1 4.049 0.940 -3.272
4 HB3 SER 1 HB3 SER 1 3.008 2.086 -2.373
5 HG SER 1 HG SER 1 5.196 1.887 -1.425
6 H ILE 2 H ILE 2 4.813 -0.695 -0.802
7 HA ILE 2 HA ILE 2 4.589 -3.569 -1.619
8 HB ILE 2 HB ILE 2 7.071 -3.508 -2.196
9 HG12 ILE 2 HG12 ILE 2 8.088 -1.376 -2.949
10 HG13 ILE 2 HG13 ILE 2 6.660 -0.449 -2.437
11 HG21 ILE 2 HG21 ILE 2 5.310 -3.658 -3.954
12 HG22 ILE 2 HG22 ILE 2 5.231 -1.874 -4.037
13 HG23 ILE 2 HG23 ILE 2 6.719 -2.731 -4.524
14 HD11 ILE 2 HD11 ILE 2 7.178 -0.981 -0.035
15 HD12 ILE 2 HD12 ILE 2 8.546 -2.017 -0.555
16 HD13 ILE 2 HD13 ILE 2 8.587 -0.255 -0.837
17 H GLY 3 H GLY 3 3.887 -2.308 0.893
18 HA2 GLY 3 HA3 GLY 3 6.137 -3.363 2.596
19 HA3 GLY 3 HA2 GLY 3 5.004 -2.073 3.047
20 H ASP 4 H ASP 4 5.314 -4.421 4.586
21 HA ASP 4 HA ASP 4 2.628 -5.593 4.267
22 HB2 ASP 4 HB2 ASP 4 5.096 -6.916 4.297
23 HB3 ASP 4 HB3 ASP 4 4.403 -7.205 5.891
24 H SER 5 H SER 5 3.885 -3.263 5.877
25 HA SER 5 HA SER 5 3.777 -3.870 8.605
26 HB2 SER 5 HB2 SER 5 4.556 -1.702 7.347
27 HB3 SER 5 HB3 SER 5 2.887 -1.190 7.595
28 HG SER 5 HG SER 5 4.932 -1.298 9.365
29 H GLY 6 H GLY 6 2.010 -2.304 9.886
30 HA2 GLY 6 HA3 GLY 6 -0.528 -3.653 9.299
31 HA3 GLY 6 HA2 GLY 6 -0.083 -2.917 10.832
32 H LEU 7 H LEU 7 0.733 -0.733 8.244
33 HA LEU 7 HA LEU 7 -1.791 0.819 8.765
34 HB2 LEU 7 HB2 LEU 7 1.035 1.644 7.917
35 HB3 LEU 7 HB3 LEU 7 -0.376 2.709 7.774
36 HG LEU 7 HG LEU 7 1.034 3.161 9.783
37 HD11 LEU 7 HD11 LEU 7 -1.828 2.327 10.568
38 HD12 LEU 7 HD12 LEU 7 -1.382 3.844 9.736
39 HD13 LEU 7 HD13 LEU 7 -0.781 3.513 11.381
40 HD21 LEU 7 HD21 LEU 7 1.056 1.694 11.737
41 HD22 LEU 7 HD22 LEU 7 1.643 0.755 10.335
42 HD23 LEU 7 HD23 LEU 7 -0.022 0.516 10.953
43 H ARG 8 H ARG 8 -3.223 0.044 7.051
44 HA ARG 8 HA ARG 8 -2.184 -0.887 4.618
45 HB2 ARG 8 HB2 ARG 8 -4.942 0.308 5.189
46 HB3 ARG 8 HB3 ARG 8 -4.483 -0.335 3.591
47 HG2 ARG 8 HG2 ARG 8 -4.031 -2.571 4.510
48 HG3 ARG 8 HG3 ARG 8 -4.344 -1.992 6.168
49 HD2 ARG 8 HD2 ARG 8 -6.422 -1.922 3.912
50 HD3 ARG 8 HD3 ARG 8 -6.324 -3.283 5.007
51 HE ARG 8 HE ARG 8 -7.445 -0.620 5.527
52 HH11 ARG 8 HH11 ARG 8 -5.904 -3.444 7.196
53 HH12 ARG 8 HH12 ARG 8 -6.669 -3.028 8.719
54 HH21 ARG 8 HH21 ARG 8 -8.351 -0.193 7.532
55 HH22 ARG 8 HH22 ARG 8 -8.019 -1.239 8.914
56 H GLU 9 H GLU 9 -2.069 0.190 2.409
57 HA GLU 9 HA GLU 9 -1.007 2.856 2.756
58 HB2 GLU 9 HB2 GLU 9 -1.711 1.512 0.084
59 HB3 GLU 9 HB3 GLU 9 -0.811 3.031 0.318
60 HG2 GLU 9 HG2 GLU 9 1.022 1.760 1.503
61 HG3 GLU 9 HG3 GLU 9 0.111 0.255 1.257
62 H SER 10 H SER 10 -3.961 1.396 1.135
63 HA SER 10 HA SER 10 -5.254 4.106 1.320
64 HB2 SER 10 HB2 SER 10 -6.358 3.497 -0.850
65 HB3 SER 10 HB3 SER 10 -4.571 3.559 -0.999
66 HG SER 10 HG SER 10 -5.456 1.568 -1.928
67 H MET 11 H MET 11 -7.670 3.963 1.369
68 HA MET 11 HA MET 11 -8.406 2.163 3.440
69 HB2 MET 11 HB2 MET 11 -10.665 3.054 3.268
70 HB3 MET 11 HB3 MET 11 -9.494 4.382 3.057
71 HG2 MET 11 HG2 MET 11 -9.877 4.197 0.504
72 HG3 MET 11 HG3 MET 11 -11.160 2.995 0.850
73 HE1 MET 11 HE1 MET 11 -13.096 6.372 -0.064
74 HE2 MET 11 HE2 MET 11 -11.616 5.675 -0.797
75 HE3 MET 11 HE3 MET 11 -13.011 4.613 -0.405
76 H SER 12 H SER 12 -8.765 1.897 -0.167
77 HA SER 12 HA SER 12 -10.718 -0.272 0.168
78 HB2 SER 12 HB2 SER 12 -10.919 1.380 -1.662
79 HB3 SER 12 HB3 SER 12 -9.390 0.782 -2.381
80 HG SER 12 HG SER 12 -11.307 -0.333 -3.262
81 H SER 13 H SER 13 -7.283 -0.020 -1.163
82 HA SER 13 HA SER 13 -7.319 -2.849 -1.780
83 HB2 SER 13 HB2 SER 13 -5.925 -1.183 -3.035
84 HB3 SER 13 HB3 SER 13 -4.892 -0.996 -1.580
85 HG SER 13 HG SER 13 -4.081 -2.683 -3.088
86 H GLN 14 H GLN 14 -5.241 -4.210 -0.967
87 HA GLN 14 HA GLN 14 -5.218 -4.034 2.049
88 HB2 GLN 14 HB2 GLN 14 -5.189 -6.534 0.260
89 HB3 GLN 14 HB3 GLN 14 -5.205 -6.492 2.048
90 HG2 GLN 14 HG2 GLN 14 -7.499 -5.471 1.991
91 HG3 GLN 14 HG3 GLN 14 -7.441 -5.413 0.208
92 HE21 GLN 14 HE21 GLN 14 -9.224 -6.944 -0.198
93 HE22 GLN 14 HE22 GLN 14 -9.097 -8.593 0.283
94 H THR 15 H THR 15 -3.304 -2.555 0.763
95 HA THR 15 HA THR 15 -0.869 -4.310 1.072
96 HB THR 15 HB THR 15 -1.027 -3.759 -1.305
97 HG1 THR 15 HG1 THR 15 1.069 -2.661 -1.318
98 HG21 THR 15 HG21 THR 15 -1.287 -0.839 -0.364
99 HG22 THR 15 HG22 THR 15 -2.457 -1.752 -1.347
100 HG23 THR 15 HG23 THR 15 -0.880 -1.299 -2.038
101 H TYR 16 H TYR 16 1.115 -2.784 1.701
102 HA TYR 16 HA TYR 16 0.080 -0.693 3.591
103 HB2 TYR 16 HB2 TYR 16 1.984 -2.968 4.338
104 HB3 TYR 16 HB3 TYR 16 1.369 -1.716 5.426
105 HD1 TYR 16 HD1 TYR 16 0.392 -4.672 3.291
106 HD2 TYR 16 HD2 TYR 16 -0.786 -2.109 6.527
107 HE1 TYR 16 HE1 TYR 16 -1.612 -6.047 3.647
108 HE2 TYR 16 HE2 TYR 16 -2.679 -3.605 7.021
109 HH TYR 16 HH TYR 16 -3.608 -6.350 4.930
110 H TRP 17 H TRP 17 1.889 0.720 4.455
111 HA TRP 17 HA TRP 17 3.794 1.218 2.262
112 HB2 TRP 17 HB2 TRP 17 3.323 2.629 4.950
113 HB3 TRP 17 HB3 TRP 17 4.546 3.162 3.787
114 HD1 TRP 17 HD1 TRP 17 1.053 3.862 4.607
115 HE1 TRP 17 HE1 TRP 17 -0.076 5.151 2.757
116 HE3 TRP 17 HE3 TRP 17 4.511 3.151 0.791
117 HZ2 TRP 17 HZ2 TRP 17 0.256 5.724 0.113
118 HZ3 TRP 17 HZ3 TRP 17 4.013 4.223 -1.407
119 HH2 TRP 17 HH2 TRP 17 1.886 5.429 -1.767
120 HA PRO 18 HA PRO 18 6.905 -1.205 4.493
121 HB2 PRO 18 HB2 PRO 18 9.273 -0.261 3.461
122 HB3 PRO 18 HB3 PRO 18 8.050 -0.995 2.374
123 HG2 PRO 18 HG2 PRO 18 8.384 1.988 2.981
124 HG3 PRO 18 HG3 PRO 18 8.449 1.227 1.357
125 HD2 PRO 18 HD2 PRO 18 6.125 2.309 2.304
126 HD3 PRO 18 HD3 PRO 18 6.045 0.737 1.414
Start of MODEL 3
1 H1 SER 1 H SER 1 2.144 -0.334 0.120
2 HA SER 1 HA SER 1 1.683 0.039 -2.738
3 HB2 SER 1 HB2 SER 1 3.994 0.946 -3.234
4 HB3 SER 1 HB3 SER 1 2.948 2.116 -2.384
5 HG SER 1 HG SER 1 4.100 1.493 -0.417
6 H ILE 2 H ILE 2 4.745 -0.744 -0.882
7 HA ILE 2 HA ILE 2 4.388 -3.599 -1.722
8 HB ILE 2 HB ILE 2 6.864 -3.624 -2.262
9 HG12 ILE 2 HG12 ILE 2 8.021 -1.538 -2.898
10 HG13 ILE 2 HG13 ILE 2 6.637 -0.542 -2.401
11 HG21 ILE 2 HG21 ILE 2 6.589 -2.713 -4.567
12 HG22 ILE 2 HG22 ILE 2 5.134 -3.606 -4.060
13 HG23 ILE 2 HG23 ILE 2 5.130 -1.819 -4.054
14 HD11 ILE 2 HD11 ILE 2 7.049 -1.166 -0.001
15 HD12 ILE 2 HD12 ILE 2 8.361 -2.278 -0.509
16 HD13 ILE 2 HD13 ILE 2 8.527 -0.517 -0.740
17 H GLY 3 H GLY 3 3.782 -2.242 0.856
18 HA2 GLY 3 HA3 GLY 3 5.981 -3.443 2.518
19 HA3 GLY 3 HA2 GLY 3 4.855 -2.161 3.010
20 H ASP 4 H ASP 4 5.128 -4.548 4.487
21 HA ASP 4 HA ASP 4 2.425 -5.667 4.121
22 HB2 ASP 4 HB2 ASP 4 5.026 -6.965 4.728
23 HB3 ASP 4 HB3 ASP 4 3.614 -7.586 5.579
24 H SER 5 H SER 5 3.707 -3.395 5.792
25 HA SER 5 HA SER 5 3.570 -4.063 8.505
26 HB2 SER 5 HB2 SER 5 4.300 -1.841 7.193
27 HB3 SER 5 HB3 SER 5 2.683 -1.343 7.692
28 HG SER 5 HG SER 5 3.487 -1.013 9.592
29 H GLY 6 H GLY 6 1.819 -2.502 9.811
30 HA2 GLY 6 HA3 GLY 6 -0.736 -3.794 9.175
31 HA3 GLY 6 HA2 GLY 6 -0.290 -3.101 10.727
32 H LEU 7 H LEU 7 0.558 -0.895 8.161
33 HA LEU 7 HA LEU 7 -1.934 0.699 8.701
34 HB2 LEU 7 HB2 LEU 7 0.936 1.451 7.925
35 HB3 LEU 7 HB3 LEU 7 -0.413 2.600 7.834
36 HG LEU 7 HG LEU 7 0.184 1.126 10.461
37 HD11 LEU 7 HD11 LEU 7 1.594 3.092 11.160
38 HD12 LEU 7 HD12 LEU 7 1.506 3.742 9.496
39 HD13 LEU 7 HD13 LEU 7 2.337 2.190 9.815
40 HD21 LEU 7 HD21 LEU 7 -1.081 3.886 9.860
41 HD22 LEU 7 HD22 LEU 7 -0.897 3.150 11.476
42 HD23 LEU 7 HD23 LEU 7 -2.008 2.423 10.293
43 H ARG 8 H ARG 8 -3.324 -0.121 6.962
44 HA ARG 8 HA ARG 8 -2.303 -0.892 4.479
45 HB2 ARG 8 HB2 ARG 8 -5.060 0.246 5.175
46 HB3 ARG 8 HB3 ARG 8 -4.625 -0.219 3.508
47 HG2 ARG 8 HG2 ARG 8 -4.154 -2.529 4.152
48 HG3 ARG 8 HG3 ARG 8 -4.397 -2.147 5.879
49 HD2 ARG 8 HD2 ARG 8 -6.668 -1.602 3.919
50 HD3 ARG 8 HD3 ARG 8 -6.412 -3.269 4.376
51 HE ARG 8 HE ARG 8 -7.531 -1.136 6.027
52 HH11 ARG 8 HH11 ARG 8 -5.619 -4.200 6.243
53 HH12 ARG 8 HH12 ARG 8 -6.183 -4.510 7.875
54 HH21 ARG 8 HH21 ARG 8 -8.177 -1.637 8.123
55 HH22 ARG 8 HH22 ARG 8 -7.593 -3.098 8.922
56 H GLU 9 H GLU 9 -2.196 0.268 2.336
57 HA GLU 9 HA GLU 9 -1.091 2.898 2.778
58 HB2 GLU 9 HB2 GLU 9 -1.773 1.578 0.085
59 HB3 GLU 9 HB3 GLU 9 -0.898 3.115 0.318
60 HG2 GLU 9 HG2 GLU 9 0.946 1.869 1.524
61 HG3 GLU 9 HG3 GLU 9 0.046 0.357 1.278
62 H SER 10 H SER 10 -4.069 1.535 1.107
63 HA SER 10 HA SER 10 -5.320 4.254 1.397
64 HB2 SER 10 HB2 SER 10 -6.377 3.807 -0.823
65 HB3 SER 10 HB3 SER 10 -4.585 3.838 -0.943
66 HG SER 10 HG SER 10 -5.492 1.929 -2.008
67 H MET 11 H MET 11 -7.707 4.176 1.454
68 HA MET 11 HA MET 11 -8.554 2.261 3.338
69 HB2 MET 11 HB2 MET 11 -10.851 3.097 3.035
70 HB3 MET 11 HB3 MET 11 -9.678 4.436 3.153
71 HG2 MET 11 HG2 MET 11 -9.807 4.772 0.649
72 HG3 MET 11 HG3 MET 11 -10.982 3.427 0.531
73 HE1 MET 11 HE1 MET 11 -11.121 7.000 0.040
74 HE2 MET 11 HE2 MET 11 -12.072 5.719 -0.788
75 HE3 MET 11 HE3 MET 11 -12.911 7.003 0.143
76 H SER 12 H SER 12 -8.870 2.181 -0.294
77 HA SER 12 HA SER 12 -10.787 -0.029 -0.076
78 HB2 SER 12 HB2 SER 12 -10.937 1.651 -1.890
79 HB3 SER 12 HB3 SER 12 -9.392 1.083 -2.577
80 HG SER 12 HG SER 12 -10.503 -1.027 -2.837
81 H SER 13 H SER 13 -7.331 0.301 -1.318
82 HA SER 13 HA SER 13 -7.284 -2.489 -2.010
83 HB2 SER 13 HB2 SER 13 -5.806 -0.711 -3.079
84 HB3 SER 13 HB3 SER 13 -4.898 -0.628 -1.545
85 HG SER 13 HG SER 13 -5.092 -2.950 -3.239
86 H GLN 14 H GLN 14 -5.474 -4.022 -1.105
87 HA GLN 14 HA GLN 14 -5.379 -3.800 1.902
88 HB2 GLN 14 HB2 GLN 14 -6.991 -5.508 0.928
89 HB3 GLN 14 HB3 GLN 14 -5.608 -6.300 0.126
90 HG2 GLN 14 HG2 GLN 14 -4.547 -6.623 2.446
91 HG3 GLN 14 HG3 GLN 14 -6.039 -5.964 3.168
92 HE21 GLN 14 HE21 GLN 14 -5.019 -8.701 3.649
93 HE22 GLN 14 HE22 GLN 14 -6.210 -9.768 3.002
94 H THR 15 H THR 15 -3.431 -2.424 0.985
95 HA THR 15 HA THR 15 -1.066 -4.256 0.981
96 HB THR 15 HB THR 15 -1.683 -3.692 -1.397
97 HG1 THR 15 HG1 THR 15 0.829 -2.576 -0.614
98 HG21 THR 15 HG21 THR 15 -0.989 -0.797 -0.612
99 HG22 THR 15 HG22 THR 15 -2.611 -1.375 -1.064
100 HG23 THR 15 HG23 THR 15 -1.290 -1.388 -2.265
101 H TYR 16 H TYR 16 0.989 -2.887 1.725
102 HA TYR 16 HA TYR 16 -0.032 -0.706 3.543
103 HB2 TYR 16 HB2 TYR 16 1.841 -3.004 4.273
104 HB3 TYR 16 HB3 TYR 16 1.206 -1.771 5.375
105 HD1 TYR 16 HD2 TYR 16 0.258 -4.691 3.158
106 HD2 TYR 16 HD1 TYR 16 -0.985 -2.173 6.410
107 HE1 TYR 16 HE2 TYR 16 -1.746 -6.086 3.485
108 HE2 TYR 16 HE1 TYR 16 -2.822 -3.725 6.913
109 HH TYR 16 HH TYR 16 -3.765 -5.908 6.358
110 H TRP 17 H TRP 17 1.758 0.702 4.433
111 HA TRP 17 HA TRP 17 3.717 1.216 2.298
112 HB2 TRP 17 HB2 TRP 17 3.256 2.543 5.037
113 HB3 TRP 17 HB3 TRP 17 4.503 3.082 3.898
114 HD1 TRP 17 HD1 TRP 17 0.967 3.770 4.686
115 HE1 TRP 17 HE1 TRP 17 -0.115 5.137 2.864
116 HE3 TRP 17 HE3 TRP 17 4.615 3.402 1.010
117 HZ2 TRP 17 HZ2 TRP 17 0.266 5.776 0.234
118 HZ3 TRP 17 HZ3 TRP 17 4.082 4.363 -1.231
119 HH2 TRP 17 HH2 TRP 17 1.929 5.520 -1.623
120 HA PRO 18 HA PRO 18 6.711 -1.400 4.508
121 HB2 PRO 18 HB2 PRO 18 9.129 -0.484 3.579
122 HB3 PRO 18 HB3 PRO 18 7.923 -1.165 2.440
123 HG2 PRO 18 HG2 PRO 18 8.312 1.797 3.124
124 HG3 PRO 18 HG3 PRO 18 8.400 1.068 1.487
125 HD2 PRO 18 HD2 PRO 18 6.076 2.189 2.394
126 HD3 PRO 18 HD3 PRO 18 5.983 0.635 1.476
Start of MODEL 4
1 H1 SER 1 H SER 1 2.105 -0.381 0.125
2 HA SER 1 HA SER 1 1.644 -0.027 -2.736
3 HB2 SER 1 HB2 SER 1 3.924 0.953 -3.218
4 HB3 SER 1 HB3 SER 1 2.844 2.098 -2.380
5 HG SER 1 HG SER 1 3.997 1.497 -0.398
6 H ILE 2 H ILE 2 4.704 -0.714 -0.838
7 HA ILE 2 HA ILE 2 4.432 -3.580 -1.655
8 HB ILE 2 HB ILE 2 6.911 -3.545 -2.219
9 HG12 ILE 2 HG12 ILE 2 7.979 -1.428 -2.922
10 HG13 ILE 2 HG13 ILE 2 6.566 -0.477 -2.417
11 HG21 ILE 2 HG21 ILE 2 6.585 -2.711 -4.538
12 HG22 ILE 2 HG22 ILE 2 5.162 -3.631 -3.993
13 HG23 ILE 2 HG23 ILE 2 5.106 -1.846 -4.039
14 HD11 ILE 2 HD11 ILE 2 8.392 -2.108 -0.531
15 HD12 ILE 2 HD12 ILE 2 8.479 -0.346 -0.791
16 HD13 ILE 2 HD13 ILE 2 7.044 -1.045 -0.016
17 H GLY 3 H GLY 3 3.780 -2.260 0.892
18 HA2 GLY 3 HA3 GLY 3 6.024 -3.358 2.571
19 HA3 GLY 3 HA2 GLY 3 4.883 -2.081 3.039
20 H ASP 4 H ASP 4 5.208 -4.445 4.562
21 HA ASP 4 HA ASP 4 2.516 -5.605 4.240
22 HB2 ASP 4 HB2 ASP 4 5.018 -6.920 4.321
23 HB3 ASP 4 HB3 ASP 4 4.217 -7.269 5.850
24 H SER 5 H SER 5 3.787 -3.292 5.864
25 HA SER 5 HA SER 5 3.683 -3.920 8.588
26 HB2 SER 5 HB2 SER 5 4.124 -1.620 7.056
27 HB3 SER 5 HB3 SER 5 2.729 -1.232 8.063
28 HG SER 5 HG SER 5 4.540 -0.737 9.238
29 H GLY 6 H GLY 6 1.926 -2.359 9.887
30 HA2 GLY 6 HA3 GLY 6 -0.620 -3.690 9.293
31 HA3 GLY 6 HA2 GLY 6 -0.167 -2.970 10.831
32 H LEU 7 H LEU 7 0.593 -0.817 8.171
33 HA LEU 7 HA LEU 7 -1.854 0.808 8.800
34 HB2 LEU 7 HB2 LEU 7 1.031 1.502 8.034
35 HB3 LEU 7 HB3 LEU 7 -0.286 2.657 7.792
36 HG LEU 7 HG LEU 7 0.080 1.383 10.548
37 HD11 LEU 7 HD11 LEU 7 1.566 3.313 11.201
38 HD12 LEU 7 HD12 LEU 7 1.650 3.814 9.485
39 HD13 LEU 7 HD13 LEU 7 2.337 2.244 10.001
40 HD21 LEU 7 HD21 LEU 7 -1.996 2.806 10.070
41 HD22 LEU 7 HD22 LEU 7 -0.928 4.171 9.651
42 HD23 LEU 7 HD23 LEU 7 -0.953 3.532 11.316
43 H ARG 8 H ARG 8 -3.287 -0.026 7.095
44 HA ARG 8 HA ARG 8 -2.283 -0.857 4.638
45 HB2 ARG 8 HB2 ARG 8 -5.041 0.303 5.274
46 HB3 ARG 8 HB3 ARG 8 -4.589 -0.238 3.635
47 HG2 ARG 8 HG2 ARG 8 -4.124 -2.512 4.391
48 HG3 ARG 8 HG3 ARG 8 -4.418 -2.060 6.089
49 HD2 ARG 8 HD2 ARG 8 -6.676 -1.487 4.154
50 HD3 ARG 8 HD3 ARG 8 -6.386 -3.187 4.420
51 HE ARG 8 HE ARG 8 -7.561 -1.295 6.289
52 HH11 ARG 8 HH11 ARG 8 -5.512 -4.268 6.181
53 HH12 ARG 8 HH12 ARG 8 -6.056 -4.779 7.770
54 HH21 ARG 8 HH21 ARG 8 -8.178 -2.043 8.322
55 HH22 ARG 8 HH22 ARG 8 -7.524 -3.553 8.962
56 H GLU 9 H GLU 9 -2.113 0.252 2.477
57 HA GLU 9 HA GLU 9 -1.042 2.898 2.857
58 HB2 GLU 9 HB2 GLU 9 -1.814 1.588 0.179
59 HB3 GLU 9 HB3 GLU 9 -0.890 3.097 0.395
60 HG2 GLU 9 HG2 GLU 9 0.953 1.806 1.532
61 HG3 GLU 9 HG3 GLU 9 0.017 0.312 1.308
62 H SER 10 H SER 10 -4.049 1.463 1.399
63 HA SER 10 HA SER 10 -5.312 4.200 1.418
64 HB2 SER 10 HB2 SER 10 -6.452 3.294 -0.717
65 HB3 SER 10 HB3 SER 10 -4.683 3.488 -0.870
66 HG SER 10 HG SER 10 -5.925 0.983 -0.230
67 H MET 11 H MET 11 -7.796 3.929 1.280
68 HA MET 11 HA MET 11 -8.560 2.211 3.484
69 HB2 MET 11 HB2 MET 11 -10.861 2.975 3.151
70 HB3 MET 11 HB3 MET 11 -9.736 4.339 3.327
71 HG2 MET 11 HG2 MET 11 -10.607 3.419 0.521
72 HG3 MET 11 HG3 MET 11 -11.657 4.463 1.503
73 HE1 MET 11 HE1 MET 11 -11.038 5.624 -1.164
74 HE2 MET 11 HE2 MET 11 -9.552 6.618 -1.336
75 HE3 MET 11 HE3 MET 11 -9.438 4.828 -1.372
76 H SER 12 H SER 12 -8.761 1.894 -0.142
77 HA SER 12 HA SER 12 -10.760 -0.255 0.218
78 HB2 SER 12 HB2 SER 12 -11.107 1.400 -1.568
79 HB3 SER 12 HB3 SER 12 -9.578 0.931 -2.344
80 HG SER 12 HG SER 12 -11.805 -0.845 -1.971
81 H SER 13 H SER 13 -7.540 -0.034 -1.583
82 HA SER 13 HA SER 13 -7.428 -2.837 -1.906
83 HB2 SER 13 HB2 SER 13 -6.056 -1.225 -3.247
84 HB3 SER 13 HB3 SER 13 -5.045 -0.910 -1.799
85 HG SER 13 HG SER 13 -4.148 -2.643 -3.180
86 H GLN 14 H GLN 14 -5.371 -4.153 -1.098
87 HA GLN 14 HA GLN 14 -5.375 -3.994 1.923
88 HB2 GLN 14 HB2 GLN 14 -5.398 -6.394 0.005
89 HB3 GLN 14 HB3 GLN 14 -5.278 -6.502 1.783
90 HG2 GLN 14 HG2 GLN 14 -7.562 -5.754 2.089
91 HG3 GLN 14 HG3 GLN 14 -7.652 -5.070 0.450
92 HE21 GLN 14 HE21 GLN 14 -6.803 -8.416 1.803
93 HE22 GLN 14 HE22 GLN 14 -7.834 -9.223 0.683
94 H THR 15 H THR 15 -3.423 -2.476 0.867
95 HA THR 15 HA THR 15 -1.006 -4.250 1.114
96 HB THR 15 HB THR 15 -1.198 -3.725 -1.276
97 HG1 THR 15 HG1 THR 15 0.919 -2.677 -1.339
98 HG21 THR 15 HG21 THR 15 -1.344 -0.783 -0.380
99 HG22 THR 15 HG22 THR 15 -2.593 -1.684 -1.280
100 HG23 THR 15 HG23 THR 15 -1.037 -1.299 -2.060
101 H TYR 16 H TYR 16 1.006 -2.726 1.698
102 HA TYR 16 HA TYR 16 -0.009 -0.646 3.618
103 HB2 TYR 16 HB2 TYR 16 1.913 -2.913 4.322
104 HB3 TYR 16 HB3 TYR 16 1.279 -1.689 5.432
105 HD1 TYR 16 HD2 TYR 16 0.353 -4.628 3.252
106 HD2 TYR 16 HD1 TYR 16 -0.912 -2.094 6.479
107 HE1 TYR 16 HE2 TYR 16 -1.581 -6.102 3.664
108 HE2 TYR 16 HE1 TYR 16 -2.729 -3.658 7.010
109 HH TYR 16 HH TYR 16 -3.591 -5.891 6.549
110 H TRP 17 H TRP 17 1.792 0.789 4.454
111 HA TRP 17 HA TRP 17 3.713 1.291 2.282
112 HB2 TRP 17 HB2 TRP 17 3.271 2.654 5.005
113 HB3 TRP 17 HB3 TRP 17 4.496 3.191 3.845
114 HD1 TRP 17 HD1 TRP 17 0.971 3.861 4.665
115 HE1 TRP 17 HE1 TRP 17 -0.154 5.174 2.828
116 HE3 TRP 17 HE3 TRP 17 4.567 3.449 0.945
117 HZ2 TRP 17 HZ2 TRP 17 0.179 5.753 0.178
118 HZ3 TRP 17 HZ3 TRP 17 3.990 4.352 -1.309
119 HH2 TRP 17 HH2 TRP 17 1.817 5.472 -1.696
120 HA PRO 18 HA PRO 18 6.767 -1.259 4.471
121 HB2 PRO 18 HB2 PRO 18 9.166 -0.317 3.517
122 HB3 PRO 18 HB3 PRO 18 7.959 -1.019 2.392
123 HG2 PRO 18 HG2 PRO 18 8.314 1.950 3.055
124 HG3 PRO 18 HG3 PRO 18 8.398 1.214 1.422
125 HD2 PRO 18 HD2 PRO 18 6.072 2.310 2.346
126 HD3 PRO 18 HD3 PRO 18 5.983 0.752 1.436
Start of MODEL 5
1 H1 SER 1 H SER 1 2.249 -0.344 0.221
2 HA SER 1 HA SER 1 1.733 -0.015 -2.647
3 HB2 SER 1 HB2 SER 1 4.015 0.910 -3.168
4 HB3 SER 1 HB3 SER 1 3.009 2.077 -2.259
5 HG SER 1 HG SER 1 5.191 1.818 -1.316
6 H ILE 2 H ILE 2 4.769 -0.758 -0.761
7 HA ILE 2 HA ILE 2 4.464 -3.621 -1.607
8 HB ILE 2 HB ILE 2 6.929 -3.625 -2.184
9 HG12 ILE 2 HG12 ILE 2 8.044 -1.519 -2.854
10 HG13 ILE 2 HG13 ILE 2 6.657 -0.544 -2.323
11 HG21 ILE 2 HG21 ILE 2 5.174 -3.636 -3.949
12 HG22 ILE 2 HG22 ILE 2 5.162 -1.848 -3.966
13 HG23 ILE 2 HG23 ILE 2 6.617 -2.742 -4.486
14 HD11 ILE 2 HD11 ILE 2 8.585 -0.493 -0.708
15 HD12 ILE 2 HD12 ILE 2 7.133 -1.164 0.064
16 HD13 ILE 2 HD13 ILE 2 8.448 -2.258 -0.477
17 H GLY 3 H GLY 3 3.852 -2.286 0.961
18 HA2 GLY 3 HA3 GLY 3 6.070 -3.466 2.615
19 HA3 GLY 3 HA2 GLY 3 4.951 -2.181 3.111
20 H ASP 4 H ASP 4 5.234 -4.587 4.568
21 HA ASP 4 HA ASP 4 2.528 -5.703 4.218
22 HB2 ASP 4 HB2 ASP 4 5.122 -7.007 4.656
23 HB3 ASP 4 HB3 ASP 4 3.849 -7.568 5.736
24 H SER 5 H SER 5 3.825 -3.434 5.884
25 HA SER 5 HA SER 5 3.701 -4.103 8.597
26 HB2 SER 5 HB2 SER 5 4.299 -1.830 7.173
27 HB3 SER 5 HB3 SER 5 2.788 -1.383 7.966
28 HG SER 5 HG SER 5 5.247 -1.589 9.018
29 H GLY 6 H GLY 6 1.961 -2.535 9.912
30 HA2 GLY 6 HA3 GLY 6 -0.601 -3.822 9.289
31 HA3 GLY 6 HA2 GLY 6 -0.145 -3.131 10.839
32 H LEU 7 H LEU 7 0.662 -0.925 8.226
33 HA LEU 7 HA LEU 7 -1.770 0.671 8.929
34 HB2 LEU 7 HB2 LEU 7 0.602 1.393 9.653
35 HB3 LEU 7 HB3 LEU 7 0.967 1.622 7.936
36 HG LEU 7 HG LEU 7 0.435 3.763 8.886
37 HD11 LEU 7 HD11 LEU 7 -0.586 3.337 6.607
38 HD12 LEU 7 HD12 LEU 7 -1.463 4.571 7.553
39 HD13 LEU 7 HD13 LEU 7 -2.135 2.926 7.414
40 HD21 LEU 7 HD21 LEU 7 -2.247 2.718 9.988
41 HD22 LEU 7 HD22 LEU 7 -1.570 4.356 10.143
42 HD23 LEU 7 HD23 LEU 7 -0.765 2.985 10.949
43 H ARG 8 H ARG 8 -3.202 -0.051 7.153
44 HA ARG 8 HA ARG 8 -2.185 -0.829 4.676
45 HB2 ARG 8 HB2 ARG 8 -4.953 0.273 5.368
46 HB3 ARG 8 HB3 ARG 8 -4.518 -0.198 3.706
47 HG2 ARG 8 HG2 ARG 8 -3.997 -2.493 4.371
48 HG3 ARG 8 HG3 ARG 8 -4.254 -2.097 6.092
49 HD2 ARG 8 HD2 ARG 8 -6.506 -1.671 4.075
50 HD3 ARG 8 HD3 ARG 8 -6.236 -3.296 4.661
51 HE ARG 8 HE ARG 8 -7.406 -1.054 6.127
52 HH11 ARG 8 HH11 ARG 8 -5.489 -4.090 6.611
53 HH12 ARG 8 HH12 ARG 8 -6.091 -4.274 8.250
54 HH21 ARG 8 HH21 ARG 8 -8.091 -1.397 8.239
55 HH22 ARG 8 HH22 ARG 8 -7.522 -2.793 9.157
56 H GLU 9 H GLU 9 -2.046 0.265 2.526
57 HA GLU 9 HA GLU 9 -0.976 2.917 2.900
58 HB2 GLU 9 HB2 GLU 9 -1.713 1.604 0.223
59 HB3 GLU 9 HB3 GLU 9 -0.773 3.099 0.456
60 HG2 GLU 9 HG2 GLU 9 1.036 1.782 1.628
61 HG3 GLU 9 HG3 GLU 9 0.096 0.298 1.377
62 H SER 10 H SER 10 -4.011 1.501 1.444
63 HA SER 10 HA SER 10 -5.250 4.218 1.653
64 HB2 SER 10 HB2 SER 10 -6.336 3.841 -0.559
65 HB3 SER 10 HB3 SER 10 -4.561 3.914 -0.730
66 HG SER 10 HG SER 10 -4.628 1.559 -0.878
67 H MET 11 H MET 11 -7.656 4.126 1.664
68 HA MET 11 HA MET 11 -8.451 2.208 3.561
69 HB2 MET 11 HB2 MET 11 -10.743 3.035 3.317
70 HB3 MET 11 HB3 MET 11 -9.594 4.399 3.297
71 HG2 MET 11 HG2 MET 11 -9.828 4.516 0.758
72 HG3 MET 11 HG3 MET 11 -11.023 3.182 0.836
73 HE1 MET 11 HE1 MET 11 -12.586 4.942 -0.525
74 HE2 MET 11 HE2 MET 11 -13.188 6.475 0.187
75 HE3 MET 11 HE3 MET 11 -11.473 6.337 -0.320
76 H SER 12 H SER 12 -8.765 2.124 -0.057
77 HA SER 12 HA SER 12 -10.626 -0.121 0.146
78 HB2 SER 12 HB2 SER 12 -10.682 -0.166 -2.261
79 HB3 SER 12 HB3 SER 12 -10.861 1.520 -1.707
80 HG SER 12 HG SER 12 -8.596 1.794 -2.388
81 H SER 13 H SER 13 -7.170 0.219 -1.108
82 HA SER 13 HA SER 13 -7.197 -2.564 -1.862
83 HB2 SER 13 HB2 SER 13 -5.734 -0.749 -2.939
84 HB3 SER 13 HB3 SER 13 -4.737 -0.800 -1.459
85 HG SER 13 HG SER 13 -5.144 -3.008 -3.263
86 H GLN 14 H GLN 14 -5.186 -4.029 -1.064
87 HA GLN 14 HA GLN 14 -5.227 -3.996 1.953
88 HB2 GLN 14 HB2 GLN 14 -5.173 -6.378 0.011
89 HB3 GLN 14 HB3 GLN 14 -5.215 -6.469 1.794
90 HG2 GLN 14 HG2 GLN 14 -7.495 -5.428 1.801
91 HG3 GLN 14 HG3 GLN 14 -7.434 -5.224 0.032
92 HE21 GLN 14 HE21 GLN 14 -7.178 -7.862 2.588
93 HE22 GLN 14 HE22 GLN 14 -7.900 -9.065 1.586
94 H THR 15 H THR 15 -3.270 -2.470 0.674
95 HA THR 15 HA THR 15 -0.843 -4.236 0.990
96 HB THR 15 HB THR 15 -1.006 -3.574 -1.389
97 HG1 THR 15 HG1 THR 15 1.144 -3.483 -0.458
98 HG21 THR 15 HG21 THR 15 -2.397 -1.601 -1.405
99 HG22 THR 15 HG22 THR 15 -0.787 -1.090 -1.973
100 HG23 THR 15 HG23 THR 15 -1.303 -0.725 -0.304
101 H TYR 16 H TYR 16 1.109 -2.816 1.815
102 HA TYR 16 HA TYR 16 0.051 -0.715 3.683
103 HB2 TYR 16 HB2 TYR 16 1.928 -3.025 4.393
104 HB3 TYR 16 HB3 TYR 16 1.326 -1.788 5.508
105 HD1 TYR 16 HD2 TYR 16 0.309 -4.692 3.312
106 HD2 TYR 16 HD1 TYR 16 -0.878 -2.125 6.542
107 HE1 TYR 16 HE2 TYR 16 -1.658 -6.106 3.713
108 HE2 TYR 16 HE1 TYR 16 -2.701 -3.683 7.109
109 HH TYR 16 HH TYR 16 -3.504 -6.568 5.167
110 H TRP 17 H TRP 17 1.878 0.693 4.548
111 HA TRP 17 HA TRP 17 3.799 1.161 2.364
112 HB2 TRP 17 HB2 TRP 17 3.380 2.552 5.071
113 HB3 TRP 17 HB3 TRP 17 4.610 3.066 3.904
114 HD1 TRP 17 HD1 TRP 17 1.147 3.850 4.762
115 HE1 TRP 17 HE1 TRP 17 0.032 5.184 2.936
116 HE3 TRP 17 HE3 TRP 17 4.549 3.088 0.908
117 HZ2 TRP 17 HZ2 TRP 17 0.357 5.779 0.296
118 HZ3 TRP 17 HZ3 TRP 17 4.058 4.192 -1.275
119 HH2 TRP 17 HH2 TRP 17 1.963 5.462 -1.601
120 HA PRO 18 HA PRO 18 6.850 -1.364 4.579
121 HB2 PRO 18 HB2 PRO 18 9.248 -0.450 3.586
122 HB3 PRO 18 HB3 PRO 18 8.024 -1.165 2.490
123 HG2 PRO 18 HG2 PRO 18 8.402 1.814 3.078
124 HG3 PRO 18 HG3 PRO 18 8.458 1.031 1.465
125 HD2 PRO 18 HD2 PRO 18 6.151 2.166 2.394
126 HD3 PRO 18 HD3 PRO 18 6.049 0.591 1.513
Start of MODEL 6
1 H1 SER 1 H SER 1 1.994 -0.489 0.135
2 HA SER 1 HA SER 1 1.551 -0.217 -2.723
3 HB2 SER 1 HB2 SER 1 3.847 0.708 -3.258
4 HB3 SER 1 HB3 SER 1 2.784 1.904 -2.473
5 HG SER 1 HG SER 1 3.927 1.382 -0.466
6 H ILE 2 H ILE 2 4.619 -0.852 -0.826
7 HA ILE 2 HA ILE 2 4.336 -3.744 -1.550
8 HB ILE 2 HB ILE 2 6.810 -3.737 -2.100
9 HG12 ILE 2 HG12 ILE 2 7.909 -1.646 -2.835
10 HG13 ILE 2 HG13 ILE 2 6.503 -0.669 -2.363
11 HG21 ILE 2 HG21 ILE 2 6.507 -2.937 -4.440
12 HG22 ILE 2 HG22 ILE 2 5.077 -3.839 -3.887
13 HG23 ILE 2 HG23 ILE 2 5.032 -2.055 -3.962
14 HD11 ILE 2 HD11 ILE 2 8.406 -0.529 -0.724
15 HD12 ILE 2 HD12 ILE 2 6.956 -1.191 0.056
16 HD13 ILE 2 HD13 ILE 2 8.290 -2.284 -0.426
17 H GLY 3 H GLY 3 3.702 -2.304 0.969
18 HA2 GLY 3 HA3 GLY 3 5.929 -3.382 2.677
19 HA3 GLY 3 HA2 GLY 3 4.778 -2.104 3.114
20 H ASP 4 H ASP 4 5.103 -4.435 4.684
21 HA ASP 4 HA ASP 4 2.418 -5.611 4.371
22 HB2 ASP 4 HB2 ASP 4 5.000 -6.849 5.299
23 HB3 ASP 4 HB3 ASP 4 3.442 -7.547 5.732
24 H SER 5 H SER 5 3.666 -3.253 5.946
25 HA SER 5 HA SER 5 3.545 -3.812 8.684
26 HB2 SER 5 HB2 SER 5 3.992 -1.552 7.100
27 HB3 SER 5 HB3 SER 5 2.581 -1.143 8.076
28 HG SER 5 HG SER 5 4.960 -2.235 9.161
29 H GLY 6 H GLY 6 1.771 -2.227 9.930
30 HA2 GLY 6 HA3 GLY 6 -0.764 -3.587 9.353
31 HA3 GLY 6 HA2 GLY 6 -0.327 -2.824 10.875
32 H LEU 7 H LEU 7 0.442 -0.701 8.165
33 HA LEU 7 HA LEU 7 -2.041 0.866 8.785
34 HB2 LEU 7 HB2 LEU 7 0.688 1.873 7.792
35 HB3 LEU 7 HB3 LEU 7 -0.804 2.802 8.036
36 HG LEU 7 HG LEU 7 -0.675 1.955 10.548
37 HD11 LEU 7 HD11 LEU 7 1.684 1.588 11.367
38 HD12 LEU 7 HD12 LEU 7 2.268 1.547 9.681
39 HD13 LEU 7 HD13 LEU 7 1.176 0.272 10.294
40 HD21 LEU 7 HD21 LEU 7 1.330 4.019 9.443
41 HD22 LEU 7 HD22 LEU 7 0.800 3.895 11.148
42 HD23 LEU 7 HD23 LEU 7 -0.376 4.328 9.885
43 H ARG 8 H ARG 8 -3.475 0.147 7.033
44 HA ARG 8 HA ARG 8 -2.395 -0.823 4.629
45 HB2 ARG 8 HB2 ARG 8 -5.155 0.395 5.097
46 HB3 ARG 8 HB3 ARG 8 -4.658 -0.345 3.552
47 HG2 ARG 8 HG2 ARG 8 -4.247 -2.529 4.622
48 HG3 ARG 8 HG3 ARG 8 -4.603 -1.848 6.227
49 HD2 ARG 8 HD2 ARG 8 -6.568 -2.033 3.872
50 HD3 ARG 8 HD3 ARG 8 -6.585 -3.159 5.217
51 HE ARG 8 HE ARG 8 -7.655 -0.426 5.114
52 HH11 ARG 8 HH11 ARG 8 -6.327 -2.878 7.430
53 HH12 ARG 8 HH12 ARG 8 -7.142 -2.115 8.785
54 HH21 ARG 8 HH21 ARG 8 -8.636 0.450 6.925
55 HH22 ARG 8 HH22 ARG 8 -8.422 -0.286 8.514
56 H GLU 9 H GLU 9 -2.203 0.231 2.430
57 HA GLU 9 HA GLU 9 -1.154 2.896 2.748
58 HB2 GLU 9 HB2 GLU 9 -1.879 1.485 0.107
59 HB3 GLU 9 HB3 GLU 9 -0.987 3.019 0.273
60 HG2 GLU 9 HG2 GLU 9 0.869 1.807 1.478
61 HG3 GLU 9 HG3 GLU 9 -0.043 0.294 1.308
62 H SER 10 H SER 10 -4.133 1.393 1.303
63 HA SER 10 HA SER 10 -5.421 4.116 1.243
64 HB2 SER 10 HB2 SER 10 -6.532 3.153 -0.881
65 HB3 SER 10 HB3 SER 10 -4.765 3.368 -1.026
66 HG SER 10 HG SER 10 -5.972 0.858 -0.347
67 H MET 11 H MET 11 -7.892 3.857 1.157
68 HA MET 11 HA MET 11 -8.630 2.123 3.351
69 HB2 MET 11 HB2 MET 11 -10.879 3.002 3.157
70 HB3 MET 11 HB3 MET 11 -9.684 4.320 3.067
71 HG2 MET 11 HG2 MET 11 -10.068 4.456 0.539
72 HG3 MET 11 HG3 MET 11 -11.190 3.075 0.668
73 HE1 MET 11 HE1 MET 11 -10.773 6.977 1.008
74 HE2 MET 11 HE2 MET 11 -12.045 7.401 2.195
75 HE3 MET 11 HE3 MET 11 -10.572 6.548 2.739
76 H SER 12 H SER 12 -8.799 1.738 -0.254
77 HA SER 12 HA SER 12 -10.719 -0.492 0.122
78 HB2 SER 12 HB2 SER 12 -11.156 1.104 -1.685
79 HB3 SER 12 HB3 SER 12 -9.596 0.731 -2.444
80 HG SER 12 HG SER 12 -11.701 -1.187 -2.068
81 H SER 13 H SER 13 -7.538 -0.193 -1.739
82 HA SER 13 HA SER 13 -7.335 -2.975 -1.994
83 HB2 SER 13 HB2 SER 13 -6.064 -1.363 -3.383
84 HB3 SER 13 HB3 SER 13 -5.020 -0.949 -1.999
85 HG SER 13 HG SER 13 -4.242 -3.187 -2.143
86 H GLN 14 H GLN 14 -5.806 -4.545 -1.002
87 HA GLN 14 HA GLN 14 -5.570 -4.081 1.940
88 HB2 GLN 14 HB2 GLN 14 -5.307 -6.511 2.092
89 HB3 GLN 14 HB3 GLN 14 -6.820 -6.100 1.259
90 HG2 GLN 14 HG2 GLN 14 -6.070 -6.936 -0.840
91 HG3 GLN 14 HG3 GLN 14 -4.361 -6.637 -0.482
92 HE21 GLN 14 HE21 GLN 14 -3.618 -8.827 -0.975
93 HE22 GLN 14 HE22 GLN 14 -4.125 -10.165 -0.019
94 H THR 15 H THR 15 -3.583 -2.555 0.689
95 HA THR 15 HA THR 15 -1.141 -4.275 1.147
96 HB THR 15 HB THR 15 -1.405 -3.817 -1.258
97 HG1 THR 15 HG1 THR 15 0.807 -2.975 -1.361
98 HG21 THR 15 HG21 THR 15 -1.175 -0.856 -0.452
99 HG22 THR 15 HG22 THR 15 -2.588 -1.591 -1.238
100 HG23 THR 15 HG23 THR 15 -1.048 -1.464 -2.121
101 H TYR 16 H TYR 16 0.861 -2.781 1.719
102 HA TYR 16 HA TYR 16 -0.138 -0.664 3.605
103 HB2 TYR 16 HB2 TYR 16 1.780 -2.927 4.344
104 HB3 TYR 16 HB3 TYR 16 1.167 -1.670 5.426
105 HD1 TYR 16 HD2 TYR 16 0.200 -4.660 3.338
106 HD2 TYR 16 HD1 TYR 16 -1.002 -2.032 6.512
107 HE1 TYR 16 HE2 TYR 16 -1.792 -6.056 3.752
108 HE2 TYR 16 HE1 TYR 16 -2.887 -3.508 7.038
109 HH TYR 16 HH TYR 16 -4.218 -5.345 6.271
110 H TRP 17 H TRP 17 1.642 0.807 4.390
111 HA TRP 17 HA TRP 17 3.588 1.244 2.227
112 HB2 TRP 17 HB2 TRP 17 3.137 2.676 4.914
113 HB3 TRP 17 HB3 TRP 17 4.370 3.181 3.747
114 HD1 TRP 17 HD1 TRP 17 0.855 3.902 4.547
115 HE1 TRP 17 HE1 TRP 17 -0.261 5.176 2.679
116 HE3 TRP 17 HE3 TRP 17 4.445 3.369 0.834
117 HZ2 TRP 17 HZ2 TRP 17 0.072 5.679 0.013
118 HZ3 TRP 17 HZ3 TRP 17 3.867 4.205 -1.444
119 HH2 TRP 17 HH2 TRP 17 1.701 5.328 -1.858
120 HA PRO 18 HA PRO 18 6.639 -1.217 4.540
121 HB2 PRO 18 HB2 PRO 18 9.048 -0.236 3.620
122 HB3 PRO 18 HB3 PRO 18 7.895 -1.042 2.509
123 HG2 PRO 18 HG2 PRO 18 8.169 1.971 2.966
124 HG3 PRO 18 HG3 PRO 18 8.269 1.114 1.398
125 HD2 PRO 18 HD2 PRO 18 5.926 2.241 2.253
126 HD3 PRO 18 HD3 PRO 18 5.864 0.637 1.425
Start of MODEL 7
1 H1 SER 1 H SER 1 2.006 -0.512 0.181
2 HA SER 1 HA SER 1 1.570 -0.220 -2.688
3 HB2 SER 1 HB2 SER 1 3.865 0.706 -3.193
4 HB3 SER 1 HB3 SER 1 2.809 1.898 -2.391
5 HG SER 1 HG SER 1 3.938 1.329 -0.385
6 H ILE 2 H ILE 2 4.649 -0.883 -0.833
7 HA ILE 2 HA ILE 2 4.322 -3.776 -1.552
8 HB ILE 2 HB ILE 2 6.797 -3.806 -2.087
9 HG12 ILE 2 HG12 ILE 2 7.947 -1.742 -2.791
10 HG13 ILE 2 HG13 ILE 2 6.555 -0.732 -2.338
11 HG21 ILE 2 HG21 ILE 2 5.077 -3.867 -3.883
12 HG22 ILE 2 HG22 ILE 2 5.058 -2.080 -3.947
13 HG23 ILE 2 HG23 ILE 2 6.526 -2.982 -4.421
14 HD11 ILE 2 HD11 ILE 2 8.444 -0.641 -0.675
15 HD12 ILE 2 HD12 ILE 2 6.961 -1.257 0.083
16 HD13 ILE 2 HD13 ILE 2 8.273 -2.393 -0.375
17 H GLY 3 H GLY 3 3.754 -2.257 0.994
18 HA2 GLY 3 HA3 GLY 3 5.959 -3.414 2.678
19 HA3 GLY 3 HA2 GLY 3 4.830 -2.121 3.137
20 H ASP 4 H ASP 4 5.127 -4.475 4.675
21 HA ASP 4 HA ASP 4 2.421 -5.603 4.370
22 HB2 ASP 4 HB2 ASP 4 5.025 -6.881 5.029
23 HB3 ASP 4 HB3 ASP 4 3.599 -7.482 5.869
24 H SER 5 H SER 5 3.717 -3.276 5.951
25 HA SER 5 HA SER 5 3.601 -3.850 8.687
26 HB2 SER 5 HB2 SER 5 2.781 -1.174 7.590
27 HB3 SER 5 HB3 SER 5 3.706 -1.538 9.046
28 HG SER 5 HG SER 5 5.363 -2.340 7.545
29 H GLY 6 H GLY 6 1.862 -2.241 9.951
30 HA2 GLY 6 HA3 GLY 6 -0.699 -3.553 9.381
31 HA3 GLY 6 HA2 GLY 6 -0.240 -2.806 10.904
32 H LEU 7 H LEU 7 0.616 -0.733 8.256
33 HA LEU 7 HA LEU 7 -1.776 0.989 8.824
34 HB2 LEU 7 HB2 LEU 7 1.067 1.574 7.806
35 HB3 LEU 7 HB3 LEU 7 -0.208 2.795 7.970
36 HG LEU 7 HG LEU 7 0.676 1.091 10.381
37 HD11 LEU 7 HD11 LEU 7 1.998 3.700 9.423
38 HD12 LEU 7 HD12 LEU 7 2.761 2.083 9.493
39 HD13 LEU 7 HD13 LEU 7 2.291 2.907 11.001
40 HD21 LEU 7 HD21 LEU 7 -0.125 3.066 11.693
41 HD22 LEU 7 HD22 LEU 7 -1.433 2.485 10.636
42 HD23 LEU 7 HD23 LEU 7 -0.505 3.943 10.186
43 H ARG 8 H ARG 8 -3.252 0.070 7.152
44 HA ARG 8 HA ARG 8 -2.312 -0.791 4.673
45 HB2 ARG 8 HB2 ARG 8 -5.045 0.408 5.351
46 HB3 ARG 8 HB3 ARG 8 -4.628 -0.171 3.716
47 HG2 ARG 8 HG2 ARG 8 -4.154 -2.442 4.532
48 HG3 ARG 8 HG3 ARG 8 -4.444 -1.930 6.218
49 HD2 ARG 8 HD2 ARG 8 -6.584 -1.689 4.035
50 HD3 ARG 8 HD3 ARG 8 -6.428 -3.178 4.940
51 HE ARG 8 HE ARG 8 -7.561 -0.631 5.854
52 HH11 ARG 8 HH11 ARG 8 -5.898 -3.619 7.060
53 HH12 ARG 8 HH12 ARG 8 -6.619 -3.442 8.650
54 HH21 ARG 8 HH21 ARG 8 -8.403 -0.514 7.929
55 HH22 ARG 8 HH22 ARG 8 -7.997 -1.732 9.139
56 H GLU 9 H GLU 9 -2.169 0.275 2.502
57 HA GLU 9 HA GLU 9 -1.070 2.919 2.826
58 HB2 GLU 9 HB2 GLU 9 -1.845 1.573 0.174
59 HB3 GLU 9 HB3 GLU 9 -0.892 3.064 0.373
60 HG2 GLU 9 HG2 GLU 9 0.924 1.760 1.535
61 HG3 GLU 9 HG3 GLU 9 -0.042 0.281 1.350
62 H SER 10 H SER 10 -4.088 1.481 1.373
63 HA SER 10 HA SER 10 -5.328 4.231 1.362
64 HB2 SER 10 HB2 SER 10 -6.479 3.330 -0.753
65 HB3 SER 10 HB3 SER 10 -4.706 3.484 -0.925
66 HG SER 10 HG SER 10 -5.998 1.015 -0.259
67 H MET 11 H MET 11 -7.798 4.030 1.292
68 HA MET 11 HA MET 11 -8.581 2.330 3.487
69 HB2 MET 11 HB2 MET 11 -10.790 3.269 3.294
70 HB3 MET 11 HB3 MET 11 -9.597 4.570 3.033
71 HG2 MET 11 HG2 MET 11 -10.016 4.313 0.489
72 HG3 MET 11 HG3 MET 11 -11.312 3.142 0.889
73 HE1 MET 11 HE1 MET 11 -11.900 5.624 -0.848
74 HE2 MET 11 HE2 MET 11 -13.315 4.699 -0.236
75 HE3 MET 11 HE3 MET 11 -13.265 6.485 -0.065
76 H SER 12 H SER 12 -8.848 1.996 -0.130
77 HA SER 12 HA SER 12 -10.777 -0.214 0.205
78 HB2 SER 12 HB2 SER 12 -10.693 -0.298 -2.283
79 HB3 SER 12 HB3 SER 12 -11.073 1.340 -1.653
80 HG SER 12 HG SER 12 -9.352 1.403 -3.293
81 H SER 13 H SER 13 -7.614 -0.010 -1.627
82 HA SER 13 HA SER 13 -7.381 -2.774 -1.854
83 HB2 SER 13 HB2 SER 13 -5.986 -1.022 -3.129
84 HB3 SER 13 HB3 SER 13 -4.981 -0.885 -1.662
85 HG SER 13 HG SER 13 -5.311 -3.271 -3.241
86 H GLN 14 H GLN 14 -5.368 -4.094 -0.997
87 HA GLN 14 HA GLN 14 -5.414 -3.897 2.009
88 HB2 GLN 14 HB2 GLN 14 -5.616 -6.295 2.084
89 HB3 GLN 14 HB3 GLN 14 -6.797 -5.703 0.897
90 HG2 GLN 14 HG2 GLN 14 -4.576 -6.240 -0.775
91 HG3 GLN 14 HG3 GLN 14 -4.351 -7.448 0.483
92 HE21 GLN 14 HE21 GLN 14 -5.842 -9.323 0.446
93 HE22 GLN 14 HE22 GLN 14 -7.073 -9.445 -0.755
94 H THR 15 H THR 15 -3.410 -2.470 0.608
95 HA THR 15 HA THR 15 -0.997 -4.231 1.067
96 HB THR 15 HB THR 15 -1.157 -3.648 -1.326
97 HG1 THR 15 HG1 THR 15 0.992 -3.547 -0.400
98 HG21 THR 15 HG21 THR 15 -2.526 -1.662 -1.435
99 HG22 THR 15 HG22 THR 15 -0.906 -1.187 -1.997
100 HG23 THR 15 HG23 THR 15 -1.436 -0.762 -0.347
101 H TYR 16 H TYR 16 0.980 -2.783 1.836
102 HA TYR 16 HA TYR 16 -0.067 -0.641 3.664
103 HB2 TYR 16 HB2 TYR 16 1.823 -2.921 4.427
104 HB3 TYR 16 HB3 TYR 16 1.212 -1.656 5.506
105 HD1 TYR 16 HD2 TYR 16 0.208 -4.622 3.390
106 HD2 TYR 16 HD1 TYR 16 -0.958 -2.005 6.590
107 HE1 TYR 16 HE2 TYR 16 -1.767 -6.018 3.811
108 HE2 TYR 16 HE1 TYR 16 -2.826 -3.513 7.141
109 HH TYR 16 HH TYR 16 -3.742 -6.316 5.126
110 H TRP 17 H TRP 17 1.749 0.808 4.482
111 HA TRP 17 HA TRP 17 3.680 1.224 2.297
112 HB2 TRP 17 HB2 TRP 17 3.243 2.682 4.970
113 HB3 TRP 17 HB3 TRP 17 4.483 3.163 3.799
114 HD1 TRP 17 HD1 TRP 17 0.962 3.901 4.579
115 HE1 TRP 17 HE1 TRP 17 -0.136 5.175 2.698
116 HE3 TRP 17 HE3 TRP 17 4.565 3.323 0.884
117 HZ2 TRP 17 HZ2 TRP 17 0.220 5.680 0.039
118 HZ3 TRP 17 HZ3 TRP 17 4.012 4.174 -1.395
119 HH2 TRP 17 HH2 TRP 17 1.862 5.323 -1.820
120 HA PRO 18 HA PRO 18 6.714 -1.263 4.591
121 HB2 PRO 18 HB2 PRO 18 9.120 -0.379 3.587
122 HB3 PRO 18 HB3 PRO 18 7.899 -1.123 2.505
123 HG2 PRO 18 HG2 PRO 18 8.288 1.873 3.010
124 HG3 PRO 18 HG3 PRO 18 8.344 1.044 1.420
125 HD2 PRO 18 HD2 PRO 18 6.037 2.215 2.322
126 HD3 PRO 18 HD3 PRO 18 5.932 0.619 1.474
Start of MODEL 8
1 H1 SER 1 H SER 1 2.435 -0.190 0.130
2 HA SER 1 HA SER 1 1.925 -0.197 -2.786
3 HB2 SER 1 HB2 SER 1 4.183 0.725 -3.338
4 HB3 SER 1 HB3 SER 1 3.139 1.941 -2.538
5 HG SER 1 HG SER 1 5.313 1.799 -1.540
6 H ILE 2 H ILE 2 4.887 -0.748 -0.729
7 HA ILE 2 HA ILE 2 4.662 -3.664 -1.401
8 HB ILE 2 HB ILE 2 7.154 -3.650 -1.902
9 HG12 ILE 2 HG12 ILE 2 8.222 -1.567 -2.716
10 HG13 ILE 2 HG13 ILE 2 6.791 -0.600 -2.289
11 HG21 ILE 2 HG21 ILE 2 5.385 -2.076 -3.865
12 HG22 ILE 2 HG22 ILE 2 6.877 -2.964 -4.274
13 HG23 ILE 2 HG23 ILE 2 5.445 -3.854 -3.705
14 HD11 ILE 2 HD11 ILE 2 7.232 -1.034 0.145
15 HD12 ILE 2 HD12 ILE 2 8.604 -2.105 -0.290
16 HD13 ILE 2 HD13 ILE 2 8.672 -0.356 -0.644
17 H GLY 3 H GLY 3 3.891 -2.290 1.026
18 HA2 GLY 3 HA3 GLY 3 6.084 -3.259 2.850
19 HA3 GLY 3 HA2 GLY 3 4.914 -1.974 3.209
20 H ASP 4 H ASP 4 5.199 -4.242 4.859
21 HA ASP 4 HA ASP 4 2.540 -5.461 4.492
22 HB2 ASP 4 HB2 ASP 4 5.142 -6.661 5.052
23 HB3 ASP 4 HB3 ASP 4 3.910 -7.139 6.217
24 H SER 5 H SER 5 3.709 -3.038 6.031
25 HA SER 5 HA SER 5 3.495 -3.511 8.780
26 HB2 SER 5 HB2 SER 5 4.014 -1.308 7.162
27 HB3 SER 5 HB3 SER 5 2.530 -0.871 8.009
28 HG SER 5 HG SER 5 3.595 -0.768 9.833
29 H GLY 6 H GLY 6 1.664 -1.905 9.911
30 HA2 GLY 6 HA3 GLY 6 -0.837 -3.306 9.287
31 HA3 GLY 6 HA2 GLY 6 -0.461 -2.493 10.799
32 H LEU 7 H LEU 7 0.395 -0.439 8.075
33 HA LEU 7 HA LEU 7 -2.134 1.111 8.517
34 HB2 LEU 7 HB2 LEU 7 0.650 2.053 7.627
35 HB3 LEU 7 HB3 LEU 7 -0.843 3.018 7.659
36 HG LEU 7 HG LEU 7 -0.998 2.580 10.186
37 HD11 LEU 7 HD11 LEU 7 0.522 0.620 10.462
38 HD12 LEU 7 HD12 LEU 7 1.189 2.000 11.346
39 HD13 LEU 7 HD13 LEU 7 1.888 1.543 9.769
40 HD21 LEU 7 HD21 LEU 7 1.467 4.105 9.139
41 HD22 LEU 7 HD22 LEU 7 0.693 4.338 10.734
42 HD23 LEU 7 HD23 LEU 7 -0.200 4.743 9.249
43 H ARG 8 H ARG 8 -3.509 0.397 6.725
44 HA ARG 8 HA ARG 8 -2.309 -0.732 4.405
45 HB2 ARG 8 HB2 ARG 8 -5.107 0.471 4.638
46 HB3 ARG 8 HB3 ARG 8 -4.514 -0.457 3.231
47 HG2 ARG 8 HG2 ARG 8 -4.123 -2.458 4.668
48 HG3 ARG 8 HG3 ARG 8 -4.660 -1.542 6.087
49 HD2 ARG 8 HD2 ARG 8 -6.865 -1.242 4.398
50 HD3 ARG 8 HD3 ARG 8 -6.248 -2.839 3.886
51 HE ARG 8 HE ARG 8 -6.472 -2.684 6.780
52 HH11 ARG 8 HH11 ARG 8 -8.521 -2.952 3.827
53 HH12 ARG 8 HH12 ARG 8 -9.824 -3.713 4.729
54 HH21 ARG 8 HH21 ARG 8 -8.202 -3.618 7.843
55 HH22 ARG 8 HH22 ARG 8 -9.657 -4.078 6.956
56 H GLU 9 H GLU 9 -2.038 0.271 2.194
57 HA GLU 9 HA GLU 9 -1.081 2.973 2.466
58 HB2 GLU 9 HB2 GLU 9 -1.694 1.473 -0.147
59 HB3 GLU 9 HB3 GLU 9 -0.810 3.016 0.009
60 HG2 GLU 9 HG2 GLU 9 1.008 1.841 1.313
61 HG3 GLU 9 HG3 GLU 9 0.127 0.314 1.139
62 H SER 10 H SER 10 -3.994 1.339 1.014
63 HA SER 10 HA SER 10 -5.358 4.020 0.849
64 HB2 SER 10 HB2 SER 10 -6.372 2.991 -1.279
65 HB3 SER 10 HB3 SER 10 -4.606 3.229 -1.385
66 HG SER 10 HG SER 10 -5.800 0.714 -0.701
67 H MET 11 H MET 11 -7.825 3.645 0.666
68 HA MET 11 HA MET 11 -8.614 1.928 2.885
69 HB2 MET 11 HB2 MET 11 -10.242 3.549 0.846
70 HB3 MET 11 HB3 MET 11 -10.998 2.588 2.139
71 HG2 MET 11 HG2 MET 11 -8.949 4.817 2.729
72 HG3 MET 11 HG3 MET 11 -10.725 5.045 2.733
73 HE1 MET 11 HE1 MET 11 -10.933 5.798 5.251
74 HE2 MET 11 HE2 MET 11 -10.142 4.935 6.610
75 HE3 MET 11 HE3 MET 11 -9.139 5.765 5.374
76 H SER 12 H SER 12 -8.713 1.590 -0.753
77 HA SER 12 HA SER 12 -10.499 -0.738 -0.434
78 HB2 SER 12 HB2 SER 12 -10.912 0.818 -2.249
79 HB3 SER 12 HB3 SER 12 -9.318 0.469 -2.973
80 HG SER 12 HG SER 12 -11.033 -0.925 -3.859
81 H SER 13 H SER 13 -7.266 -0.405 -2.202
82 HA SER 13 HA SER 13 -6.989 -3.212 -2.305
83 HB2 SER 13 HB2 SER 13 -5.740 -1.645 -3.779
84 HB3 SER 13 HB3 SER 13 -4.740 -1.119 -2.400
85 HG SER 13 HG SER 13 -3.930 -3.365 -2.378
86 H GLN 14 H GLN 14 -5.487 -4.687 -1.105
87 HA GLN 14 HA GLN 14 -5.218 -3.833 1.764
88 HB2 GLN 14 HB2 GLN 14 -5.219 -6.628 0.506
89 HB3 GLN 14 HB3 GLN 14 -5.194 -6.240 2.252
90 HG2 GLN 14 HG2 GLN 14 -7.434 -5.097 2.002
91 HG3 GLN 14 HG3 GLN 14 -7.490 -5.592 0.290
92 HE21 GLN 14 HE21 GLN 14 -8.980 -6.543 3.066
93 HE22 GLN 14 HE22 GLN 14 -8.986 -8.245 2.804
94 H THR 15 H THR 15 -3.287 -2.532 0.619
95 HA THR 15 HA THR 15 -0.855 -4.277 0.979
96 HB THR 15 HB THR 15 -1.188 -3.806 -1.432
97 HG1 THR 15 HG1 THR 15 1.051 -2.342 -0.415
98 HG21 THR 15 HG21 THR 15 -1.049 -0.849 -0.629
99 HG22 THR 15 HG22 THR 15 -2.414 -1.654 -1.437
100 HG23 THR 15 HG23 THR 15 -0.864 -1.452 -2.298
101 H TYR 16 H TYR 16 1.073 -2.913 1.863
102 HA TYR 16 HA TYR 16 -0.036 -0.644 3.499
103 HB2 TYR 16 HB2 TYR 16 1.851 -2.853 4.429
104 HB3 TYR 16 HB3 TYR 16 1.184 -1.555 5.427
105 HD1 TYR 16 HD1 TYR 16 0.317 -4.639 3.418
106 HD2 TYR 16 HD2 TYR 16 -1.026 -1.899 6.437
107 HE1 TYR 16 HE1 TYR 16 -1.712 -5.992 3.753
108 HE2 TYR 16 HE2 TYR 16 -2.926 -3.366 6.934
109 HH TYR 16 HH TYR 16 -4.294 -5.141 6.054
110 H TRP 17 H TRP 17 1.707 0.869 4.310
111 HA TRP 17 HA TRP 17 3.699 1.263 2.176
112 HB2 TRP 17 HB2 TRP 17 3.135 2.792 4.781
113 HB3 TRP 17 HB3 TRP 17 4.408 3.263 3.647
114 HD1 TRP 17 HD1 TRP 17 0.910 4.052 4.313
115 HE1 TRP 17 HE1 TRP 17 -0.138 5.276 2.373
116 HE3 TRP 17 HE3 TRP 17 4.474 3.116 0.643
117 HZ2 TRP 17 HZ2 TRP 17 0.284 5.725 -0.278
118 HZ3 TRP 17 HZ3 TRP 17 4.067 4.107 -1.609
119 HH2 TRP 17 HH2 TRP 17 1.968 5.323 -2.091
120 HA PRO 18 HA PRO 18 6.724 -1.040 4.652
121 HB2 PRO 18 HB2 PRO 18 9.136 -0.112 3.721
122 HB3 PRO 18 HB3 PRO 18 7.988 -0.920 2.605
123 HG2 PRO 18 HG2 PRO 18 8.251 2.088 3.072
124 HG3 PRO 18 HG3 PRO 18 8.406 1.240 1.496
125 HD2 PRO 18 HD2 PRO 18 6.019 2.345 2.251
126 HD3 PRO 18 HD3 PRO 18 6.008 0.725 1.449
Start of MODEL 9
1 H1 SER 1 H SER 1 2.195 -0.420 0.016
2 HA SER 1 HA SER 1 1.815 -0.157 -2.863
3 HB2 SER 1 HB2 SER 1 4.127 0.747 -3.345
4 HB3 SER 1 HB3 SER 1 3.066 1.947 -2.561
5 HG SER 1 HG SER 1 4.160 1.399 -0.545
6 H ILE 2 H ILE 2 4.819 -0.848 -0.892
7 HA ILE 2 HA ILE 2 4.486 -3.736 -1.621
8 HB ILE 2 HB ILE 2 6.950 -3.802 -2.150
9 HG12 ILE 2 HG12 ILE 2 8.127 -1.735 -2.856
10 HG13 ILE 2 HG13 ILE 2 6.749 -0.715 -2.387
11 HG21 ILE 2 HG21 ILE 2 5.234 -3.827 -3.943
12 HG22 ILE 2 HG22 ILE 2 5.259 -2.040 -4.017
13 HG23 ILE 2 HG23 ILE 2 6.706 -2.979 -4.481
14 HD11 ILE 2 HD11 ILE 2 8.458 -2.403 -0.447
15 HD12 ILE 2 HD12 ILE 2 8.639 -0.649 -0.738
16 HD13 ILE 2 HD13 ILE 2 7.158 -1.261 0.029
17 H GLY 3 H GLY 3 3.861 -2.272 0.896
18 HA2 GLY 3 HA3 GLY 3 6.039 -3.414 2.633
19 HA3 GLY 3 HA2 GLY 3 4.910 -2.110 3.060
20 H ASP 4 H ASP 4 5.150 -4.426 4.645
21 HA ASP 4 HA ASP 4 2.455 -5.563 4.276
22 HB2 ASP 4 HB2 ASP 4 4.641 -7.053 4.116
23 HB3 ASP 4 HB3 ASP 4 4.519 -7.012 5.873
24 H SER 5 H SER 5 3.703 -3.216 5.868
25 HA SER 5 HA SER 5 3.510 -3.761 8.605
26 HB2 SER 5 HB2 SER 5 4.019 -1.511 7.017
27 HB3 SER 5 HB3 SER 5 2.603 -1.080 7.975
28 HG SER 5 HG SER 5 3.764 -1.571 9.840
29 H GLY 6 H GLY 6 1.733 -2.141 9.802
30 HA2 GLY 6 HA3 GLY 6 -0.809 -3.464 9.173
31 HA3 GLY 6 HA2 GLY 6 -0.394 -2.702 10.701
32 H LEU 7 H LEU 7 0.471 -0.593 8.029
33 HA LEU 7 HA LEU 7 -2.047 0.991 8.485
34 HB2 LEU 7 HB2 LEU 7 0.841 1.760 7.833
35 HB3 LEU 7 HB3 LEU 7 -0.507 2.828 7.417
36 HG LEU 7 HG LEU 7 0.679 3.375 9.590
37 HD11 LEU 7 HD11 LEU 7 -1.353 3.998 10.830
38 HD12 LEU 7 HD12 LEU 7 -2.350 2.870 9.880
39 HD13 LEU 7 HD13 LEU 7 -1.589 4.276 9.086
40 HD21 LEU 7 HD21 LEU 7 0.953 0.990 10.423
41 HD22 LEU 7 HD22 LEU 7 -0.806 0.942 10.754
42 HD23 LEU 7 HD23 LEU 7 0.230 2.096 11.627
43 H ARG 8 H ARG 8 -3.403 0.113 6.745
44 HA ARG 8 HA ARG 8 -2.232 -0.760 4.358
45 HB2 ARG 8 HB2 ARG 8 -5.087 0.212 4.869
46 HB3 ARG 8 HB3 ARG 8 -4.545 -0.301 3.250
47 HG2 ARG 8 HG2 ARG 8 -3.917 -2.517 4.014
48 HG3 ARG 8 HG3 ARG 8 -4.259 -2.103 5.716
49 HD2 ARG 8 HD2 ARG 8 -6.430 -2.041 3.549
50 HD3 ARG 8 HD3 ARG 8 -5.995 -3.509 4.490
51 HE ARG 8 HE ARG 8 -6.489 -1.387 6.339
52 HH11 ARG 8 HH11 ARG 8 -8.264 -3.520 4.042
53 HH12 ARG 8 HH12 ARG 8 -9.698 -3.535 5.059
54 HH21 ARG 8 HH21 ARG 8 -8.370 -1.464 7.567
55 HH22 ARG 8 HH22 ARG 8 -9.769 -2.386 7.010
56 H GLU 9 H GLU 9 -2.063 0.296 2.173
57 HA GLU 9 HA GLU 9 -1.012 2.947 2.548
58 HB2 GLU 9 HB2 GLU 9 -1.681 1.566 -0.129
59 HB3 GLU 9 HB3 GLU 9 -0.781 3.091 0.086
60 HG2 GLU 9 HG2 GLU 9 1.034 1.835 1.317
61 HG3 GLU 9 HG3 GLU 9 0.103 0.334 1.111
62 H SER 10 H SER 10 -3.954 1.508 0.973
63 HA SER 10 HA SER 10 -5.239 4.237 0.986
64 HB2 SER 10 HB2 SER 10 -6.333 3.344 -1.175
65 HB3 SER 10 HB3 SER 10 -4.561 3.531 -1.295
66 HG SER 10 HG SER 10 -5.835 1.031 -0.700
67 H MET 11 H MET 11 -7.763 3.892 0.784
68 HA MET 11 HA MET 11 -8.511 2.152 3.000
69 HB2 MET 11 HB2 MET 11 -10.247 3.705 0.987
70 HB3 MET 11 HB3 MET 11 -10.878 2.824 2.401
71 HG2 MET 11 HG2 MET 11 -8.894 5.196 2.596
72 HG3 MET 11 HG3 MET 11 -10.662 5.292 2.832
73 HE1 MET 11 HE1 MET 11 -11.030 5.944 5.349
74 HE2 MET 11 HE2 MET 11 -9.776 5.575 6.575
75 HE3 MET 11 HE3 MET 11 -9.339 6.502 5.102
76 H SER 12 H SER 12 -8.987 2.053 -0.653
77 HA SER 12 HA SER 12 -10.689 -0.258 -0.374
78 HB2 SER 12 HB2 SER 12 -11.017 1.255 -2.247
79 HB3 SER 12 HB3 SER 12 -9.397 0.906 -2.890
80 HG SER 12 HG SER 12 -11.481 -1.059 -2.633
81 H SER 13 H SER 13 -7.399 -0.071 -2.075
82 HA SER 13 HA SER 13 -7.261 -2.877 -2.255
83 HB2 SER 13 HB2 SER 13 -5.835 -1.357 -3.612
84 HB3 SER 13 HB3 SER 13 -4.890 -0.937 -2.145
85 HG SER 13 HG SER 13 -3.910 -2.747 -3.356
86 H GLN 14 H GLN 14 -5.432 -4.277 -1.277
87 HA GLN 14 HA GLN 14 -5.308 -3.787 1.700
88 HB2 GLN 14 HB2 GLN 14 -6.844 -5.640 0.919
89 HB3 GLN 14 HB3 GLN 14 -5.439 -6.432 0.154
90 HG2 GLN 14 HG2 GLN 14 -4.326 -6.509 2.477
91 HG3 GLN 14 HG3 GLN 14 -5.825 -5.832 3.163
92 HE21 GLN 14 HE21 GLN 14 -5.082 -8.201 4.264
93 HE22 GLN 14 HE22 GLN 14 -6.033 -9.504 3.647
94 H THR 15 H THR 15 -3.351 -2.449 0.836
95 HA THR 15 HA THR 15 -0.994 -4.272 1.046
96 HB THR 15 HB THR 15 -1.198 -3.865 -1.376
97 HG1 THR 15 HG1 THR 15 0.973 -2.916 -1.510
98 HG21 THR 15 HG21 THR 15 -2.493 -1.716 -1.370
99 HG22 THR 15 HG22 THR 15 -0.986 -1.529 -2.309
100 HG23 THR 15 HG23 THR 15 -1.095 -0.865 -0.657
101 H TYR 16 H TYR 16 1.064 -2.758 1.599
102 HA TYR 16 HA TYR 16 0.020 -0.591 3.414
103 HB2 TYR 16 HB2 TYR 16 1.909 -2.841 4.243
104 HB3 TYR 16 HB3 TYR 16 1.235 -1.589 5.297
105 HD1 TYR 16 HD2 TYR 16 0.379 -4.584 3.161
106 HD2 TYR 16 HD1 TYR 16 -0.956 -2.001 6.323
107 HE1 TYR 16 HE2 TYR 16 -1.625 -5.987 3.474
108 HE2 TYR 16 HE1 TYR 16 -2.744 -3.594 6.867
109 HH TYR 16 HH TYR 16 -4.079 -5.396 5.996
110 H TRP 17 H TRP 17 1.773 0.876 4.245
111 HA TRP 17 HA TRP 17 3.791 1.274 2.146
112 HB2 TRP 17 HB2 TRP 17 3.303 2.723 4.820
113 HB3 TRP 17 HB3 TRP 17 4.558 3.208 3.665
114 HD1 TRP 17 HD1 TRP 17 1.011 3.934 4.399
115 HE1 TRP 17 HE1 TRP 17 -0.060 5.205 2.502
116 HE3 TRP 17 HE3 TRP 17 4.690 3.389 0.779
117 HZ2 TRP 17 HZ2 TRP 17 0.346 5.717 -0.154
118 HZ3 TRP 17 HZ3 TRP 17 4.174 4.236 -1.513
119 HH2 TRP 17 HH2 TRP 17 2.024 5.368 -1.980
120 HA PRO 18 HA PRO 18 6.685 -1.255 4.607
121 HB2 PRO 18 HB2 PRO 18 9.134 -0.479 3.642
122 HB3 PRO 18 HB3 PRO 18 7.924 -1.200 2.533
123 HG2 PRO 18 HG2 PRO 18 8.373 1.792 3.027
124 HG3 PRO 18 HG3 PRO 18 8.476 0.949 1.444
125 HD2 PRO 18 HD2 PRO 18 6.159 2.186 2.220
126 HD3 PRO 18 HD3 PRO 18 6.055 0.574 1.408
Start of MODEL 10
1 H1 SER 1 H SER 1 2.011 -0.582 0.067
2 HA SER 1 HA SER 1 1.656 -0.391 -2.807
3 HB2 SER 1 HB2 SER 1 3.995 0.473 -3.287
4 HB3 SER 1 HB3 SER 1 2.919 1.707 -2.585
5 HG SER 1 HG SER 1 3.987 1.244 -0.522
6 H ILE 2 H ILE 2 4.687 -1.013 -0.836
7 HA ILE 2 HA ILE 2 4.337 -3.929 -1.419
8 HB ILE 2 HB ILE 2 6.825 -4.002 -1.924
9 HG12 ILE 2 HG12 ILE 2 7.996 -1.987 -2.715
10 HG13 ILE 2 HG13 ILE 2 6.611 -0.945 -2.334
11 HG21 ILE 2 HG21 ILE 2 6.588 -3.300 -4.295
12 HG22 ILE 2 HG22 ILE 2 5.121 -4.137 -3.737
13 HG23 ILE 2 HG23 ILE 2 5.128 -2.358 -3.890
14 HD11 ILE 2 HD11 ILE 2 6.974 -1.347 0.117
15 HD12 ILE 2 HD12 ILE 2 8.283 -2.510 -0.257
16 HD13 ILE 2 HD13 ILE 2 8.472 -0.781 -0.645
17 H GLY 3 H GLY 3 3.731 -2.301 1.030
18 HA2 GLY 3 HA3 GLY 3 5.899 -3.365 2.810
19 HA3 GLY 3 HA2 GLY 3 4.756 -2.062 3.184
20 H ASP 4 H ASP 4 5.027 -4.327 4.846
21 HA ASP 4 HA ASP 4 2.331 -5.480 4.542
22 HB2 ASP 4 HB2 ASP 4 3.274 -7.388 5.960
23 HB3 ASP 4 HB3 ASP 4 3.827 -7.291 4.291
24 H SER 5 H SER 5 3.589 -3.073 6.033
25 HA SER 5 HA SER 5 3.418 -3.511 8.790
26 HB2 SER 5 HB2 SER 5 4.138 -1.397 7.281
27 HB3 SER 5 HB3 SER 5 2.530 -0.867 7.775
28 HG SER 5 HG SER 5 4.806 -0.934 9.206
29 H GLY 6 H GLY 6 1.649 -1.848 9.938
30 HA2 GLY 6 HA3 GLY 6 -0.897 -3.196 9.380
31 HA3 GLY 6 HA2 GLY 6 -0.471 -2.375 10.875
32 H LEU 7 H LEU 7 0.408 -0.357 8.154
33 HA LEU 7 HA LEU 7 -2.069 1.274 8.609
34 HB2 LEU 7 HB2 LEU 7 0.728 2.090 7.628
35 HB3 LEU 7 HB3 LEU 7 -0.731 3.105 7.660
36 HG LEU 7 HG LEU 7 -0.843 2.788 10.195
37 HD11 LEU 7 HD11 LEU 7 0.499 0.726 10.554
38 HD12 LEU 7 HD12 LEU 7 1.322 2.071 11.351
39 HD13 LEU 7 HD13 LEU 7 1.925 1.477 9.780
40 HD21 LEU 7 HD21 LEU 7 0.132 4.851 9.164
41 HD22 LEU 7 HD22 LEU 7 1.733 4.059 9.077
42 HD23 LEU 7 HD23 LEU 7 0.993 4.427 10.663
43 H ARG 8 H ARG 8 -3.525 0.670 6.842
44 HA ARG 8 HA ARG 8 -2.427 -0.608 4.544
45 HB2 ARG 8 HB2 ARG 8 -5.169 0.741 4.729
46 HB3 ARG 8 HB3 ARG 8 -4.624 -0.336 3.416
47 HG2 ARG 8 HG2 ARG 8 -4.312 -2.211 5.088
48 HG3 ARG 8 HG3 ARG 8 -4.935 -1.140 6.373
49 HD2 ARG 8 HD2 ARG 8 -7.086 -0.918 4.995
50 HD3 ARG 8 HD3 ARG 8 -6.426 -2.196 3.915
51 HE ARG 8 HE ARG 8 -6.312 -3.095 6.654
52 HH11 ARG 8 HH11 ARG 8 -8.751 -2.385 4.100
53 HH12 ARG 8 HH12 ARG 8 -9.915 -3.496 4.810
54 HH21 ARG 8 HH21 ARG 8 -7.877 -4.472 7.496
55 HH22 ARG 8 HH22 ARG 8 -9.437 -4.655 6.691
56 H GLU 9 H GLU 9 -2.234 0.299 2.254
57 HA GLU 9 HA GLU 9 -1.168 2.979 2.400
58 HB2 GLU 9 HB2 GLU 9 -1.845 1.401 -0.143
59 HB3 GLU 9 HB3 GLU 9 -0.963 2.945 -0.059
60 HG2 GLU 9 HG2 GLU 9 0.873 1.821 1.277
61 HG3 GLU 9 HG3 GLU 9 -0.020 0.293 1.172
62 H SER 10 H SER 10 -4.187 1.408 1.076
63 HA SER 10 HA SER 10 -5.453 4.117 1.038
64 HB2 SER 10 HB2 SER 10 -6.522 3.502 -1.153
65 HB3 SER 10 HB3 SER 10 -4.753 3.654 -1.299
66 HG SER 10 HG SER 10 -4.688 1.304 -1.271
67 H MET 11 H MET 11 -7.897 3.913 0.868
68 HA MET 11 HA MET 11 -8.698 2.243 3.056
69 HB2 MET 11 HB2 MET 11 -10.371 3.730 0.942
70 HB3 MET 11 HB3 MET 11 -11.072 2.929 2.369
71 HG2 MET 11 HG2 MET 11 -8.982 5.204 2.592
72 HG3 MET 11 HG3 MET 11 -10.752 5.432 2.666
73 HE1 MET 11 HE1 MET 11 -8.775 6.373 5.061
74 HE2 MET 11 HE2 MET 11 -10.555 6.610 4.997
75 HE3 MET 11 HE3 MET 11 -9.801 5.866 6.443
76 H SER 12 H SER 12 -9.082 1.905 -0.570
77 HA SER 12 HA SER 12 -10.841 -0.367 -0.214
78 HB2 SER 12 HB2 SER 12 -9.373 0.565 -2.744
79 HB3 SER 12 HB3 SER 12 -10.758 -0.558 -2.674
80 HG SER 12 HG SER 12 -11.967 1.305 -1.762
81 H SER 13 H SER 13 -7.331 -0.085 -1.331
82 HA SER 13 HA SER 13 -7.302 -2.907 -1.915
83 HB2 SER 13 HB2 SER 13 -5.794 -1.138 -3.024
84 HB3 SER 13 HB3 SER 13 -4.882 -1.098 -1.491
85 HG SER 13 HG SER 13 -5.171 -3.407 -3.189
86 H GLN 14 H GLN 14 -5.340 -4.307 -0.949
87 HA GLN 14 HA GLN 14 -5.464 -4.088 2.056
88 HB2 GLN 14 HB2 GLN 14 -5.292 -6.516 2.109
89 HB3 GLN 14 HB3 GLN 14 -6.735 -6.056 1.185
90 HG2 GLN 14 HG2 GLN 14 -5.882 -6.900 -0.850
91 HG3 GLN 14 HG3 GLN 14 -4.208 -6.487 -0.481
92 HE21 GLN 14 HE21 GLN 14 -6.776 -8.942 0.320
93 HE22 GLN 14 HE22 GLN 14 -5.628 -10.150 0.773
94 H THR 15 H THR 15 -3.469 -2.591 0.631
95 HA THR 15 HA THR 15 -1.041 -4.284 1.213
96 HB THR 15 HB THR 15 -1.288 -3.922 -1.235
97 HG1 THR 15 HG1 THR 15 0.888 -3.926 -0.338
98 HG21 THR 15 HG21 THR 15 -1.173 -0.940 -0.533
99 HG22 THR 15 HG22 THR 15 -2.498 -1.775 -1.379
100 HG23 THR 15 HG23 THR 15 -0.911 -1.604 -2.165
101 H TYR 16 H TYR 16 0.942 -2.753 1.797
102 HA TYR 16 HA TYR 16 -0.120 -0.534 3.521
103 HB2 TYR 16 HB2 TYR 16 1.766 -2.778 4.410
104 HB3 TYR 16 HB3 TYR 16 1.154 -1.466 5.426
105 HD1 TYR 16 HD1 TYR 16 0.174 -4.541 3.462
106 HD2 TYR 16 HD2 TYR 16 -1.043 -1.747 6.483
107 HE1 TYR 16 HE1 TYR 16 -1.797 -5.934 3.971
108 HE2 TYR 16 HE2 TYR 16 -2.928 -3.190 7.085
109 HH TYR 16 HH TYR 16 -4.184 -5.143 6.507
110 H TRP 17 H TRP 17 1.697 0.921 4.328
111 HA TRP 17 HA TRP 17 3.664 1.261 2.162
112 HB2 TRP 17 HB2 TRP 17 3.178 2.822 4.766
113 HB3 TRP 17 HB3 TRP 17 4.431 3.263 3.595
114 HD1 TRP 17 HD1 TRP 17 0.891 4.012 4.288
115 HE1 TRP 17 HE1 TRP 17 -0.181 5.197 2.339
116 HE3 TRP 17 HE3 TRP 17 4.558 3.298 0.680
117 HZ2 TRP 17 HZ2 TRP 17 0.210 5.574 -0.342
118 HZ3 TRP 17 HZ3 TRP 17 4.035 4.040 -1.644
119 HH2 TRP 17 HH2 TRP 17 1.882 5.145 -2.156
120 HA PRO 18 HA PRO 18 6.645 -1.148 4.596
121 HB2 PRO 18 HB2 PRO 18 9.068 -0.326 3.581
122 HB3 PRO 18 HB3 PRO 18 7.857 -1.095 2.509
123 HG2 PRO 18 HG2 PRO 18 8.255 1.916 2.935
124 HG3 PRO 18 HG3 PRO 18 8.344 1.054 1.367
125 HD2 PRO 18 HD2 PRO 18 6.027 2.250 2.188
126 HD3 PRO 18 HD3 PRO 18 5.922 0.628 1.397
Start of MODEL 11
1 H1 SER 1 H SER 1 2.159 -0.310 0.108
2 HA SER 1 HA SER 1 1.603 0.028 -2.749
3 HB2 SER 1 HB2 SER 1 3.891 0.978 -3.280
4 HB3 SER 1 HB3 SER 1 2.884 2.135 -2.359
5 HG SER 1 HG SER 1 5.068 1.880 -1.420
6 H ILE 2 H ILE 2 4.643 -0.710 -0.870
7 HA ILE 2 HA ILE 2 4.367 -3.568 -1.741
8 HB ILE 2 HB ILE 2 6.814 -3.545 -2.353
9 HG12 ILE 2 HG12 ILE 2 7.898 -1.414 -3.027
10 HG13 ILE 2 HG13 ILE 2 6.508 -0.461 -2.461
11 HG21 ILE 2 HG21 ILE 2 5.035 -3.554 -4.088
12 HG22 ILE 2 HG22 ILE 2 5.016 -1.765 -4.100
13 HG23 ILE 2 HG23 ILE 2 6.465 -2.652 -4.647
14 HD11 ILE 2 HD11 ILE 2 8.462 -0.397 -0.882
15 HD12 ILE 2 HD12 ILE 2 7.037 -1.098 -0.086
16 HD13 ILE 2 HD13 ILE 2 8.355 -2.166 -0.668
17 H GLY 3 H GLY 3 3.746 -2.292 0.833
18 HA2 GLY 3 HA3 GLY 3 5.998 -3.445 2.465
19 HA3 GLY 3 HA2 GLY 3 4.881 -2.161 2.970
20 H ASP 4 H ASP 4 5.187 -4.561 4.436
21 HA ASP 4 HA ASP 4 2.481 -5.685 4.112
22 HB2 ASP 4 HB2 ASP 4 5.092 -6.982 4.744
23 HB3 ASP 4 HB3 ASP 4 3.639 -7.636 5.495
24 H SER 5 H SER 5 3.790 -3.421 5.774
25 HA SER 5 HA SER 5 3.701 -4.106 8.485
26 HB2 SER 5 HB2 SER 5 2.932 -1.400 7.386
27 HB3 SER 5 HB3 SER 5 3.677 -1.767 8.941
28 HG SER 5 HG SER 5 5.154 -0.964 7.327
29 H GLY 6 H GLY 6 1.972 -2.552 9.830
30 HA2 GLY 6 HA3 GLY 6 -0.594 -3.842 9.230
31 HA3 GLY 6 HA2 GLY 6 -0.121 -3.160 10.779
32 H LEU 7 H LEU 7 0.716 -0.949 8.232
33 HA LEU 7 HA LEU 7 -1.742 0.686 8.818
34 HB2 LEU 7 HB2 LEU 7 1.105 1.390 7.928
35 HB3 LEU 7 HB3 LEU 7 -0.238 2.533 7.906
36 HG LEU 7 HG LEU 7 0.005 1.121 10.552
37 HD11 LEU 7 HD11 LEU 7 2.419 1.145 10.041
38 HD12 LEU 7 HD12 LEU 7 2.040 2.316 11.333
39 HD13 LEU 7 HD13 LEU 7 2.352 2.896 9.670
40 HD21 LEU 7 HD21 LEU 7 -1.445 3.151 10.130
41 HD22 LEU 7 HD22 LEU 7 0.027 4.118 9.818
42 HD23 LEU 7 HD23 LEU 7 -0.260 3.426 11.438
43 H ARG 8 H ARG 8 -3.228 0.018 7.090
44 HA ARG 8 HA ARG 8 -2.242 -0.895 4.605
45 HB2 ARG 8 HB2 ARG 8 -4.963 0.362 5.218
46 HB3 ARG 8 HB3 ARG 8 -4.537 -0.360 3.647
47 HG2 ARG 8 HG2 ARG 8 -4.111 -2.556 4.644
48 HG3 ARG 8 HG3 ARG 8 -4.415 -1.946 6.292
49 HD2 ARG 8 HD2 ARG 8 -6.511 -1.973 4.052
50 HD3 ARG 8 HD3 ARG 8 -6.317 -3.238 5.315
51 HE ARG 8 HE ARG 8 -6.581 -0.731 6.643
52 HH11 ARG 8 HH11 ARG 8 -8.558 -3.006 4.670
53 HH12 ARG 8 HH12 ARG 8 -10.043 -2.519 5.476
54 HH21 ARG 8 HH21 ARG 8 -8.535 -0.165 7.599
55 HH22 ARG 8 HH22 ARG 8 -10.038 -0.943 7.097
56 H GLU 9 H GLU 9 -2.134 0.251 2.447
57 HA GLU 9 HA GLU 9 -1.028 2.888 2.854
58 HB2 GLU 9 HB2 GLU 9 -1.812 1.620 0.170
59 HB3 GLU 9 HB3 GLU 9 -0.871 3.114 0.405
60 HG2 GLU 9 HG2 GLU 9 0.958 1.791 1.539
61 HG3 GLU 9 HG3 GLU 9 0.015 0.308 1.294
62 H SER 10 H SER 10 -4.099 1.517 1.437
63 HA SER 10 HA SER 10 -5.325 4.231 1.733
64 HB2 SER 10 HB2 SER 10 -6.421 3.947 -0.466
65 HB3 SER 10 HB3 SER 10 -4.649 3.943 -0.680
66 HG SER 10 HG SER 10 -4.837 1.582 -0.854
67 H MET 11 H MET 11 -7.748 4.138 1.749
68 HA MET 11 HA MET 11 -8.550 2.226 3.624
69 HB2 MET 11 HB2 MET 11 -10.876 2.965 3.249
70 HB3 MET 11 HB3 MET 11 -9.795 4.382 3.256
71 HG2 MET 11 HG2 MET 11 -9.914 4.479 0.724
72 HG3 MET 11 HG3 MET 11 -10.940 3.010 0.731
73 HE1 MET 11 HE1 MET 11 -12.978 3.837 -0.489
74 HE2 MET 11 HE2 MET 11 -13.720 5.445 -0.222
75 HE3 MET 11 HE3 MET 11 -12.043 5.327 -0.852
76 H SER 12 H SER 12 -8.716 2.037 -0.007
77 HA SER 12 HA SER 12 -10.687 -0.137 0.205
78 HB2 SER 12 HB2 SER 12 -10.905 1.580 -1.546
79 HB3 SER 12 HB3 SER 12 -9.348 1.069 -2.268
80 HG SER 12 HG SER 12 -11.210 -0.058 -3.245
81 H SER 13 H SER 13 -7.269 0.180 -1.164
82 HA SER 13 HA SER 13 -7.296 -2.629 -1.861
83 HB2 SER 13 HB2 SER 13 -5.873 -0.859 -3.023
84 HB3 SER 13 HB3 SER 13 -4.870 -0.794 -1.548
85 HG SER 13 HG SER 13 -5.224 -3.115 -3.220
86 H GLN 14 H GLN 14 -5.391 -4.134 -1.000
87 HA GLN 14 HA GLN 14 -5.244 -3.827 1.997
88 HB2 GLN 14 HB2 GLN 14 -6.762 -5.697 0.979
89 HB3 GLN 14 HB3 GLN 14 -5.254 -6.434 0.392
90 HG2 GLN 14 HG2 GLN 14 -4.467 -6.254 2.945
91 HG3 GLN 14 HG3 GLN 14 -6.173 -5.933 3.300
92 HE21 GLN 14 HE21 GLN 14 -3.877 -8.338 1.790
93 HE22 GLN 14 HE22 GLN 14 -4.904 -9.701 2.032
94 H THR 15 H THR 15 -3.357 -2.441 0.625
95 HA THR 15 HA THR 15 -0.939 -4.226 0.880
96 HB THR 15 HB THR 15 -1.133 -3.536 -1.499
97 HG1 THR 15 HG1 THR 15 1.040 -3.455 -0.579
98 HG21 THR 15 HG21 THR 15 -2.520 -1.567 -1.462
99 HG22 THR 15 HG22 THR 15 -0.921 -1.064 -2.067
100 HG23 THR 15 HG23 THR 15 -1.400 -0.694 -0.388
101 H TYR 16 H TYR 16 1.030 -2.820 1.707
102 HA TYR 16 HA TYR 16 -0.020 -0.735 3.595
103 HB2 TYR 16 HB2 TYR 16 1.869 -3.042 4.290
104 HB3 TYR 16 HB3 TYR 16 1.259 -1.819 5.411
105 HD1 TYR 16 HD1 TYR 16 0.234 -4.701 3.186
106 HD2 TYR 16 HD2 TYR 16 -0.905 -2.209 6.492
107 HE1 TYR 16 HE1 TYR 16 -1.729 -6.123 3.583
108 HE2 TYR 16 HE2 TYR 16 -2.778 -3.725 6.993
109 HH TYR 16 HH TYR 16 -3.414 -6.716 5.214
110 H TRP 17 H TRP 17 1.781 0.673 4.483
111 HA TRP 17 HA TRP 17 3.707 1.167 2.315
112 HB2 TRP 17 HB2 TRP 17 3.298 2.520 5.044
113 HB3 TRP 17 HB3 TRP 17 4.518 3.055 3.875
114 HD1 TRP 17 HD1 TRP 17 1.063 3.834 4.776
115 HE1 TRP 17 HE1 TRP 17 -0.065 5.190 2.978
116 HE3 TRP 17 HE3 TRP 17 4.424 3.105 0.873
117 HZ2 TRP 17 HZ2 TRP 17 0.232 5.813 0.340
118 HZ3 TRP 17 HZ3 TRP 17 3.902 4.224 -1.297
119 HH2 TRP 17 HH2 TRP 17 1.808 5.504 -1.583
120 HA PRO 18 HA PRO 18 6.734 -1.422 4.485
121 HB2 PRO 18 HB2 PRO 18 9.133 -0.512 3.503
122 HB3 PRO 18 HB3 PRO 18 7.910 -1.195 2.382
123 HG2 PRO 18 HG2 PRO 18 8.302 1.759 3.049
124 HG3 PRO 18 HG3 PRO 18 8.358 1.020 1.413
125 HD2 PRO 18 HD2 PRO 18 6.049 2.148 2.340
126 HD3 PRO 18 HD3 PRO 18 5.947 0.582 1.445
Start of MODEL 12
1 H1 SER 1 H SER 1 2.245 -0.484 0.103
2 HA SER 1 HA SER 1 1.942 -0.274 -2.797
3 HB2 SER 1 HB2 SER 1 4.214 0.753 -3.193
4 HB3 SER 1 HB3 SER 1 3.065 1.898 -2.458
5 HG SER 1 HG SER 1 4.116 1.402 -0.396
6 H ILE 2 H ILE 2 4.915 -0.792 -0.733
7 HA ILE 2 HA ILE 2 4.745 -3.701 -1.415
8 HB ILE 2 HB ILE 2 7.240 -3.643 -1.862
9 HG12 ILE 2 HG12 ILE 2 8.308 -1.539 -2.609
10 HG13 ILE 2 HG13 ILE 2 6.856 -0.593 -2.216
11 HG21 ILE 2 HG21 ILE 2 5.498 -2.063 -3.841
12 HG22 ILE 2 HG22 ILE 2 7.015 -2.919 -4.230
13 HG23 ILE 2 HG23 ILE 2 5.585 -3.843 -3.712
14 HD11 ILE 2 HD11 ILE 2 8.685 -0.353 -0.511
15 HD12 ILE 2 HD12 ILE 2 7.225 -1.039 0.229
16 HD13 ILE 2 HD13 ILE 2 8.610 -2.104 -0.172
17 H GLY 3 H GLY 3 3.949 -2.260 1.034
18 HA2 GLY 3 HA3 GLY 3 6.123 -3.244 2.865
19 HA3 GLY 3 HA2 GLY 3 4.939 -1.973 3.223
20 H ASP 4 H ASP 4 5.236 -4.271 4.850
21 HA ASP 4 HA ASP 4 2.585 -5.499 4.457
22 HB2 ASP 4 HB2 ASP 4 5.182 -6.669 5.381
23 HB3 ASP 4 HB3 ASP 4 3.671 -7.345 5.983
24 H SER 5 H SER 5 3.733 -3.091 6.033
25 HA SER 5 HA SER 5 3.515 -3.602 8.774
26 HB2 SER 5 HB2 SER 5 2.797 -1.019 7.371
27 HB3 SER 5 HB3 SER 5 3.289 -1.209 9.054
28 HG SER 5 HG SER 5 4.834 -1.448 6.711
29 H GLY 6 H GLY 6 1.669 -2.023 9.920
30 HA2 GLY 6 HA3 GLY 6 -0.820 -3.436 9.273
31 HA3 GLY 6 HA2 GLY 6 -0.454 -2.637 10.795
32 H LEU 7 H LEU 7 0.454 -0.547 8.147
33 HA LEU 7 HA LEU 7 -2.096 0.993 8.559
34 HB2 LEU 7 HB2 LEU 7 0.680 1.955 7.669
35 HB3 LEU 7 HB3 LEU 7 -0.825 2.900 7.719
36 HG LEU 7 HG LEU 7 -0.950 2.388 10.257
37 HD11 LEU 7 HD11 LEU 7 0.664 0.492 10.454
38 HD12 LEU 7 HD12 LEU 7 1.275 1.876 11.372
39 HD13 LEU 7 HD13 LEU 7 1.974 1.501 9.774
40 HD21 LEU 7 HD21 LEU 7 -0.274 4.611 9.368
41 HD22 LEU 7 HD22 LEU 7 1.417 4.053 9.198
42 HD23 LEU 7 HD23 LEU 7 0.675 4.209 10.819
43 H ARG 8 H ARG 8 -3.462 0.151 6.804
44 HA ARG 8 HA ARG 8 -2.297 -0.834 4.449
45 HB2 ARG 8 HB2 ARG 8 -5.123 0.252 4.869
46 HB3 ARG 8 HB3 ARG 8 -4.580 -0.448 3.324
47 HG2 ARG 8 HG2 ARG 8 -4.032 -2.593 4.345
48 HG3 ARG 8 HG3 ARG 8 -4.425 -1.991 5.979
49 HD2 ARG 8 HD2 ARG 8 -6.474 -2.175 3.697
50 HD3 ARG 8 HD3 ARG 8 -6.167 -3.459 4.917
51 HE ARG 8 HE ARG 8 -6.683 -1.018 6.312
52 HH11 ARG 8 HH11 ARG 8 -8.406 -3.461 4.301
53 HH12 ARG 8 HH12 ARG 8 -9.920 -3.197 5.156
54 HH21 ARG 8 HH21 ARG 8 -8.666 -0.741 7.333
55 HH22 ARG 8 HH22 ARG 8 -10.073 -1.682 6.833
56 H GLU 9 H GLU 9 -2.120 0.129 2.216
57 HA GLU 9 HA GLU 9 -1.144 2.830 2.464
58 HB2 GLU 9 HB2 GLU 9 -1.742 1.325 -0.148
59 HB3 GLU 9 HB3 GLU 9 -0.879 2.877 0.011
60 HG2 GLU 9 HG2 GLU 9 0.945 1.738 1.323
61 HG3 GLU 9 HG3 GLU 9 0.082 0.195 1.145
62 H SER 10 H SER 10 -4.096 1.222 1.055
63 HA SER 10 HA SER 10 -5.429 3.900 1.069
64 HB2 SER 10 HB2 SER 10 -6.432 3.361 -1.156
65 HB3 SER 10 HB3 SER 10 -4.656 3.471 -1.272
66 HG SER 10 HG SER 10 -4.676 1.106 -1.278
67 H MET 11 H MET 11 -7.849 3.684 0.944
68 HA MET 11 HA MET 11 -8.712 1.846 2.950
69 HB2 MET 11 HB2 MET 11 -10.283 3.428 0.824
70 HB3 MET 11 HB3 MET 11 -11.085 2.454 2.078
71 HG2 MET 11 HG2 MET 11 -9.126 4.741 2.782
72 HG3 MET 11 HG3 MET 11 -10.896 4.939 2.626
73 HE1 MET 11 HE1 MET 11 -10.744 4.952 6.506
74 HE2 MET 11 HE2 MET 11 -9.581 5.745 5.393
75 HE3 MET 11 HE3 MET 11 -11.339 5.763 5.023
76 H SER 12 H SER 12 -8.912 1.714 -0.705
77 HA SER 12 HA SER 12 -10.675 -0.559 -0.576
78 HB2 SER 12 HB2 SER 12 -10.674 1.020 -2.507
79 HB3 SER 12 HB3 SER 12 -9.037 0.470 -2.953
80 HG SER 12 HG SER 12 -11.365 -1.229 -2.895
81 H SER 13 H SER 13 -7.105 -0.307 -1.486
82 HA SER 13 HA SER 13 -7.128 -3.151 -2.088
83 HB2 SER 13 HB2 SER 13 -5.695 -1.495 -3.310
84 HB3 SER 13 HB3 SER 13 -4.714 -1.299 -1.821
85 HG SER 13 HG SER 13 -3.851 -2.993 -3.281
86 H GLN 14 H GLN 14 -5.088 -4.484 -1.198
87 HA GLN 14 HA GLN 14 -5.153 -4.313 1.816
88 HB2 GLN 14 HB2 GLN 14 -5.023 -6.735 -0.070
89 HB3 GLN 14 HB3 GLN 14 -4.923 -6.842 1.707
90 HG2 GLN 14 HG2 GLN 14 -7.384 -5.684 0.254
91 HG3 GLN 14 HG3 GLN 14 -7.180 -7.415 0.625
92 HE21 GLN 14 HE21 GLN 14 -9.269 -7.080 1.882
93 HE22 GLN 14 HE22 GLN 14 -9.113 -6.522 3.506
94 H THR 15 H THR 15 -3.254 -2.732 0.703
95 HA THR 15 HA THR 15 -0.782 -4.393 1.130
96 HB THR 15 HB THR 15 -0.877 -3.991 -1.285
97 HG1 THR 15 HG1 THR 15 1.206 -2.876 -1.294
98 HG21 THR 15 HG21 THR 15 -2.331 -2.001 -1.449
99 HG22 THR 15 HG22 THR 15 -0.751 -1.595 -2.168
100 HG23 THR 15 HG23 THR 15 -1.162 -1.019 -0.531
101 H TYR 16 H TYR 16 1.140 -2.775 1.725
102 HA TYR 16 HA TYR 16 -0.019 -0.643 3.494
103 HB2 TYR 16 HB2 TYR 16 1.906 -2.837 4.405
104 HB3 TYR 16 HB3 TYR 16 1.202 -1.568 5.417
105 HD1 TYR 16 HD1 TYR 16 0.411 -4.623 3.349
106 HD2 TYR 16 HD2 TYR 16 -0.986 -1.990 6.437
107 HE1 TYR 16 HE1 TYR 16 -1.580 -6.032 3.646
108 HE2 TYR 16 HE2 TYR 16 -2.816 -3.561 6.940
109 HH TYR 16 HH TYR 16 -3.621 -6.349 4.858
110 H TRP 17 H TRP 17 1.711 0.851 4.379
111 HA TRP 17 HA TRP 17 3.730 1.303 2.286
112 HB2 TRP 17 HB2 TRP 17 3.113 2.784 4.907
113 HB3 TRP 17 HB3 TRP 17 4.385 3.295 3.784
114 HD1 TRP 17 HD1 TRP 17 0.797 3.892 4.382
115 HE1 TRP 17 HE1 TRP 17 -0.259 5.089 2.428
116 HE3 TRP 17 HE3 TRP 17 4.608 3.428 0.889
117 HZ2 TRP 17 HZ2 TRP 17 0.205 5.557 -0.222
118 HZ3 TRP 17 HZ3 TRP 17 4.135 4.218 -1.431
119 HH2 TRP 17 HH2 TRP 17 1.956 5.250 -1.987
120 HA PRO 18 HA PRO 18 6.721 -1.056 4.779
121 HB2 PRO 18 HB2 PRO 18 9.133 -0.147 3.844
122 HB3 PRO 18 HB3 PRO 18 7.973 -0.927 2.721
123 HG2 PRO 18 HG2 PRO 18 8.273 2.080 3.225
124 HG3 PRO 18 HG3 PRO 18 8.430 1.251 1.642
125 HD2 PRO 18 HD2 PRO 18 6.056 2.367 2.410
126 HD3 PRO 18 HD3 PRO 18 6.028 0.760 1.582
Start of MODEL 13
1 H1 SER 1 H SER 1 2.221 -0.367 0.160
2 HA SER 1 HA SER 1 1.565 -0.305 -2.713
3 HB2 SER 1 HB2 SER 1 3.821 0.571 -3.386
4 HB3 SER 1 HB3 SER 1 2.837 1.802 -2.550
5 HG SER 1 HG SER 1 4.114 1.300 -0.624
6 H ILE 2 H ILE 2 4.656 -0.984 -0.874
7 HA ILE 2 HA ILE 2 4.266 -3.877 -1.546
8 HB ILE 2 HB ILE 2 6.726 -3.949 -2.175
9 HG12 ILE 2 HG12 ILE 2 7.849 -1.902 -2.990
10 HG13 ILE 2 HG13 ILE 2 6.482 -0.881 -2.496
11 HG21 ILE 2 HG21 ILE 2 6.363 -3.194 -4.518
12 HG22 ILE 2 HG22 ILE 2 4.929 -4.045 -3.898
13 HG23 ILE 2 HG23 ILE 2 4.928 -2.262 -4.013
14 HD11 ILE 2 HD11 ILE 2 8.437 -0.746 -0.922
15 HD12 ILE 2 HD12 ILE 2 6.999 -1.362 -0.082
16 HD13 ILE 2 HD13 ILE 2 8.297 -2.493 -0.583
17 H GLY 3 H GLY 3 3.721 -2.427 0.953
18 HA2 GLY 3 HA3 GLY 3 5.964 -3.534 2.626
19 HA3 GLY 3 HA2 GLY 3 4.884 -2.197 3.065
20 H ASP 4 H ASP 4 5.168 -4.513 4.668
21 HA ASP 4 HA ASP 4 2.433 -5.596 4.464
22 HB2 ASP 4 HB2 ASP 4 3.321 -7.601 5.682
23 HB3 ASP 4 HB3 ASP 4 3.990 -7.383 4.066
24 H SER 5 H SER 5 3.818 -3.262 5.959
25 HA SER 5 HA SER 5 3.769 -3.777 8.708
26 HB2 SER 5 HB2 SER 5 4.245 -1.557 7.074
27 HB3 SER 5 HB3 SER 5 2.884 -1.082 8.091
28 HG SER 5 HG SER 5 4.111 -1.512 9.901
29 H GLY 6 H GLY 6 2.098 -2.107 9.985
30 HA2 GLY 6 HA3 GLY 6 -0.503 -3.380 9.515
31 HA3 GLY 6 HA2 GLY 6 0.013 -2.612 11.009
32 H LEU 7 H LEU 7 0.785 -0.500 8.298
33 HA LEU 7 HA LEU 7 -1.725 1.064 8.823
34 HB2 LEU 7 HB2 LEU 7 1.013 2.003 7.809
35 HB3 LEU 7 HB3 LEU 7 -0.491 2.933 7.826
36 HG LEU 7 HG LEU 7 -0.359 2.074 10.511
37 HD11 LEU 7 HD11 LEU 7 1.941 1.098 10.163
38 HD12 LEU 7 HD12 LEU 7 1.947 2.451 11.329
39 HD13 LEU 7 HD13 LEU 7 2.532 2.711 9.664
40 HD21 LEU 7 HD21 LEU 7 0.338 4.412 11.046
41 HD22 LEU 7 HD22 LEU 7 -0.903 4.380 9.769
42 HD23 LEU 7 HD23 LEU 7 0.809 4.669 9.340
43 H ARG 8 H ARG 8 -3.200 0.401 7.123
44 HA ARG 8 HA ARG 8 -2.195 -0.702 4.717
45 HB2 ARG 8 HB2 ARG 8 -4.913 0.629 5.195
46 HB3 ARG 8 HB3 ARG 8 -4.458 -0.219 3.693
47 HG2 ARG 8 HG2 ARG 8 -4.047 -2.332 4.963
48 HG3 ARG 8 HG3 ARG 8 -4.524 -1.526 6.485
49 HD2 ARG 8 HD2 ARG 8 -6.810 -1.117 5.535
50 HD3 ARG 8 HD3 ARG 8 -6.292 -1.930 4.017
51 HE ARG 8 HE ARG 8 -5.807 -3.677 6.257
52 HH11 ARG 8 HH11 ARG 8 -8.554 -2.312 4.370
53 HH12 ARG 8 HH12 ARG 8 -9.568 -3.708 4.708
54 HH21 ARG 8 HH21 ARG 8 -7.184 -5.411 6.644
55 HH22 ARG 8 HH22 ARG 8 -8.817 -5.426 5.974
56 H GLU 9 H GLU 9 -2.128 0.307 2.481
57 HA GLU 9 HA GLU 9 -0.982 2.954 2.686
58 HB2 GLU 9 HB2 GLU 9 -1.821 1.455 0.139
59 HB3 GLU 9 HB3 GLU 9 -0.893 2.979 0.210
60 HG2 GLU 9 HG2 GLU 9 0.978 1.793 1.409
61 HG3 GLU 9 HG3 GLU 9 0.052 0.278 1.331
62 H SER 10 H SER 10 -4.106 1.512 1.453
63 HA SER 10 HA SER 10 -5.290 4.254 1.581
64 HB2 SER 10 HB2 SER 10 -6.460 3.796 -0.591
65 HB3 SER 10 HB3 SER 10 -4.691 3.875 -0.803
66 HG SER 10 HG SER 10 -4.755 1.518 -0.876
67 H MET 11 H MET 11 -7.714 4.187 1.620
68 HA MET 11 HA MET 11 -8.432 2.360 3.663
69 HB2 MET 11 HB2 MET 11 -10.658 3.336 3.622
70 HB3 MET 11 HB3 MET 11 -9.446 4.613 3.382
71 HG2 MET 11 HG2 MET 11 -11.233 5.118 1.865
72 HG3 MET 11 HG3 MET 11 -9.974 4.427 0.809
73 HE1 MET 11 HE1 MET 11 -13.080 4.771 0.029
74 HE2 MET 11 HE2 MET 11 -11.875 4.030 -1.077
75 HE3 MET 11 HE3 MET 11 -13.425 3.190 -0.743
76 H SER 12 H SER 12 -8.933 2.185 0.066
77 HA SER 12 HA SER 12 -10.879 0.028 0.381
78 HB2 SER 12 HB2 SER 12 -11.017 1.553 -1.549
79 HB3 SER 12 HB3 SER 12 -9.411 1.010 -2.125
80 HG SER 12 HG SER 12 -11.179 -0.237 -3.114
81 H SER 13 H SER 13 -7.386 0.207 -0.780
82 HA SER 13 HA SER 13 -7.485 -2.593 -1.481
83 HB2 SER 13 HB2 SER 13 -5.964 -0.803 -2.558
84 HB3 SER 13 HB3 SER 13 -4.977 -0.901 -1.074
85 HG SER 13 HG SER 13 -5.470 -3.085 -2.888
86 H GLN 14 H GLN 14 -5.225 -3.857 -0.599
87 HA GLN 14 HA GLN 14 -5.307 -3.762 2.395
88 HB2 GLN 14 HB2 GLN 14 -5.645 -6.161 2.519
89 HB3 GLN 14 HB3 GLN 14 -6.958 -5.444 1.567
90 HG2 GLN 14 HG2 GLN 14 -4.950 -6.181 -0.399
91 HG3 GLN 14 HG3 GLN 14 -4.955 -7.509 0.762
92 HE21 GLN 14 HE21 GLN 14 -7.331 -5.353 -1.044
93 HE22 GLN 14 HE22 GLN 14 -8.403 -6.648 -1.427
94 H THR 15 H THR 15 -3.383 -2.472 1.039
95 HA THR 15 HA THR 15 -1.024 -4.316 1.324
96 HB THR 15 HB THR 15 -1.470 -3.925 -1.073
97 HG1 THR 15 HG1 THR 15 0.854 -2.480 -0.262
98 HG21 THR 15 HG21 THR 15 -1.258 -0.932 -0.388
99 HG22 THR 15 HG22 THR 15 -2.644 -1.769 -1.135
100 HG23 THR 15 HG23 THR 15 -1.121 -1.588 -2.040
101 H TYR 16 H TYR 16 1.009 -2.961 2.022
102 HA TYR 16 HA TYR 16 0.045 -0.646 3.692
103 HB2 TYR 16 HB2 TYR 16 1.906 -2.920 4.521
104 HB3 TYR 16 HB3 TYR 16 1.339 -1.606 5.562
105 HD1 TYR 16 HD1 TYR 16 0.249 -4.648 3.590
106 HD2 TYR 16 HD2 TYR 16 -0.816 -1.890 6.699
107 HE1 TYR 16 HE1 TYR 16 -1.757 -5.980 4.094
108 HE2 TYR 16 HE2 TYR 16 -2.738 -3.285 7.298
109 HH TYR 16 HH TYR 16 -3.896 -5.347 6.863
110 H TRP 17 H TRP 17 1.882 0.806 4.424
111 HA TRP 17 HA TRP 17 3.761 1.156 2.189
112 HB2 TRP 17 HB2 TRP 17 3.424 2.649 4.860
113 HB3 TRP 17 HB3 TRP 17 4.633 3.105 3.649
114 HD1 TRP 17 HD1 TRP 17 1.141 3.895 4.521
115 HE1 TRP 17 HE1 TRP 17 0.015 5.173 2.661
116 HE3 TRP 17 HE3 TRP 17 4.642 3.242 0.746
117 HZ2 TRP 17 HZ2 TRP 17 0.307 5.646 -0.015
118 HZ3 TRP 17 HZ3 TRP 17 4.045 4.083 -1.527
119 HH2 TRP 17 HH2 TRP 17 1.899 5.255 -1.910
120 HA PRO 18 HA PRO 18 6.808 -1.369 4.427
121 HB2 PRO 18 HB2 PRO 18 9.205 -0.529 3.384
122 HB3 PRO 18 HB3 PRO 18 7.960 -1.256 2.316
123 HG2 PRO 18 HG2 PRO 18 8.397 1.730 2.831
124 HG3 PRO 18 HG3 PRO 18 8.426 0.915 1.233
125 HD2 PRO 18 HD2 PRO 18 6.147 2.113 2.148
126 HD3 PRO 18 HD3 PRO 18 6.003 0.515 1.319
Start of MODEL 14
1 H1 SER 1 H SER 1 2.144 -0.524 0.153
2 HA SER 1 HA SER 1 1.608 -0.314 -2.719
3 HB2 SER 1 HB2 SER 1 3.887 0.602 -3.295
4 HB3 SER 1 HB3 SER 1 2.867 1.805 -2.448
5 HG SER 1 HG SER 1 5.050 1.622 -1.485
6 H ILE 2 H ILE 2 4.645 -0.933 -0.798
7 HA ILE 2 HA ILE 2 4.391 -3.835 -1.504
8 HB ILE 2 HB ILE 2 6.857 -3.811 -2.117
9 HG12 ILE 2 HG12 ILE 2 7.893 -1.712 -2.935
10 HG13 ILE 2 HG13 ILE 2 6.483 -0.752 -2.436
11 HG21 ILE 2 HG21 ILE 2 5.012 -2.200 -3.974
12 HG22 ILE 2 HG22 ILE 2 6.483 -3.087 -4.458
13 HG23 ILE 2 HG23 ILE 2 5.070 -3.982 -3.850
14 HD11 ILE 2 HD11 ILE 2 7.020 -1.220 -0.026
15 HD12 ILE 2 HD12 ILE 2 8.365 -2.293 -0.529
16 HD13 ILE 2 HD13 ILE 2 8.429 -0.540 -0.867
17 H GLY 3 H GLY 3 3.749 -2.435 0.982
18 HA2 GLY 3 HA3 GLY 3 6.015 -3.455 2.684
19 HA3 GLY 3 HA2 GLY 3 4.877 -2.160 3.112
20 H ASP 4 H ASP 4 5.208 -4.461 4.713
21 HA ASP 4 HA ASP 4 2.523 -5.649 4.449
22 HB2 ASP 4 HB2 ASP 4 5.154 -6.867 4.983
23 HB3 ASP 4 HB3 ASP 4 3.855 -7.422 6.034
24 H SER 5 H SER 5 3.792 -3.269 5.981
25 HA SER 5 HA SER 5 3.695 -3.798 8.727
26 HB2 SER 5 HB2 SER 5 4.515 -1.684 7.457
27 HB3 SER 5 HB3 SER 5 2.838 -1.152 7.582
28 HG SER 5 HG SER 5 4.182 -0.450 9.339
29 H GLY 6 H GLY 6 1.936 -2.172 9.958
30 HA2 GLY 6 HA3 GLY 6 -0.613 -3.524 9.413
31 HA3 GLY 6 HA2 GLY 6 -0.155 -2.767 10.932
32 H LEU 7 H LEU 7 0.671 -0.665 8.286
33 HA LEU 7 HA LEU 7 -1.809 0.952 8.795
34 HB2 LEU 7 HB2 LEU 7 1.081 1.632 8.070
35 HB3 LEU 7 HB3 LEU 7 -0.208 2.705 7.516
36 HG LEU 7 HG LEU 7 -0.070 1.932 10.471
37 HD11 LEU 7 HD11 LEU 7 2.187 2.813 9.945
38 HD12 LEU 7 HD12 LEU 7 1.269 4.028 10.873
39 HD13 LEU 7 HD13 LEU 7 1.478 4.226 9.107
40 HD21 LEU 7 HD21 LEU 7 -1.247 4.125 10.756
41 HD22 LEU 7 HD22 LEU 7 -2.158 3.137 9.590
42 HD23 LEU 7 HD23 LEU 7 -1.112 4.459 9.009
43 H ARG 8 H ARG 8 -3.335 0.509 7.069
44 HA ARG 8 HA ARG 8 -2.327 -0.817 4.724
45 HB2 ARG 8 HB2 ARG 8 -5.057 0.533 5.147
46 HB3 ARG 8 HB3 ARG 8 -4.541 -0.259 3.638
47 HG2 ARG 8 HG2 ARG 8 -5.876 -1.856 4.772
48 HG3 ARG 8 HG3 ARG 8 -4.205 -2.442 4.879
49 HD2 ARG 8 HD2 ARG 8 -4.043 -1.721 7.215
50 HD3 ARG 8 HD3 ARG 8 -5.603 -0.911 7.201
51 HE ARG 8 HE ARG 8 -5.022 -3.786 7.481
52 HH11 ARG 8 HH11 ARG 8 -7.599 -1.496 6.372
53 HH12 ARG 8 HH12 ARG 8 -8.852 -2.694 6.649
54 HH21 ARG 8 HH21 ARG 8 -6.709 -5.223 7.779
55 HH22 ARG 8 HH22 ARG 8 -8.370 -4.748 7.423
56 H GLU 9 H GLU 9 -2.157 0.181 2.463
57 HA GLU 9 HA GLU 9 -1.035 2.834 2.718
58 HB2 GLU 9 HB2 GLU 9 -1.784 1.427 0.095
59 HB3 GLU 9 HB3 GLU 9 -0.860 2.938 0.273
60 HG2 GLU 9 HG2 GLU 9 0.965 1.681 1.484
61 HG3 GLU 9 HG3 GLU 9 0.022 0.188 1.313
62 H SER 10 H SER 10 -4.022 1.405 1.127
63 HA SER 10 HA SER 10 -5.262 4.145 1.254
64 HB2 SER 10 HB2 SER 10 -6.343 3.543 -0.912
65 HB3 SER 10 HB3 SER 10 -4.553 3.550 -1.056
66 HG SER 10 HG SER 10 -5.482 1.575 -1.969
67 H MET 11 H MET 11 -7.677 4.044 1.264
68 HA MET 11 HA MET 11 -8.441 2.249 3.357
69 HB2 MET 11 HB2 MET 11 -10.626 3.280 3.299
70 HB3 MET 11 HB3 MET 11 -9.386 4.537 3.050
71 HG2 MET 11 HG2 MET 11 -9.908 4.369 0.496
72 HG3 MET 11 HG3 MET 11 -11.280 3.305 0.938
73 HE1 MET 11 HE1 MET 11 -13.257 5.097 0.016
74 HE2 MET 11 HE2 MET 11 -12.948 6.859 0.160
75 HE3 MET 11 HE3 MET 11 -11.782 5.816 -0.717
76 H SER 12 H SER 12 -8.821 2.043 -0.237
77 HA SER 12 HA SER 12 -10.832 -0.076 0.041
78 HB2 SER 12 HB2 SER 12 -9.296 0.848 -2.449
79 HB3 SER 12 HB3 SER 12 -10.778 -0.147 -2.418
80 HG SER 12 HG SER 12 -11.818 1.774 -1.423
81 H SER 13 H SER 13 -7.302 0.076 -0.982
82 HA SER 13 HA SER 13 -7.385 -2.736 -1.715
83 HB2 SER 13 HB2 SER 13 -5.872 -0.954 -2.785
84 HB3 SER 13 HB3 SER 13 -4.912 -0.989 -1.277
85 HG SER 13 HG SER 13 -5.315 -3.224 -3.057
86 H GLN 14 H GLN 14 -5.140 -3.982 -0.778
87 HA GLN 14 HA GLN 14 -5.305 -3.871 2.215
88 HB2 GLN 14 HB2 GLN 14 -5.643 -6.263 2.334
89 HB3 GLN 14 HB3 GLN 14 -6.881 -5.590 1.255
90 HG2 GLN 14 HG2 GLN 14 -4.745 -6.296 -0.542
91 HG3 GLN 14 HG3 GLN 14 -4.708 -7.583 0.665
92 HE21 GLN 14 HE21 GLN 14 -7.054 -5.692 -1.431
93 HE22 GLN 14 HE22 GLN 14 -8.054 -7.056 -1.770
94 H THR 15 H THR 15 -3.341 -2.572 0.790
95 HA THR 15 HA THR 15 -0.967 -4.391 1.196
96 HB THR 15 HB THR 15 -1.167 -3.840 -1.210
97 HG1 THR 15 HG1 THR 15 1.003 -3.759 -0.338
98 HG21 THR 15 HG21 THR 15 -2.507 -1.836 -1.321
99 HG22 THR 15 HG22 THR 15 -0.892 -1.380 -1.918
100 HG23 THR 15 HG23 THR 15 -1.387 -0.939 -0.261
101 H TYR 16 H TYR 16 1.049 -2.852 1.844
102 HA TYR 16 HA TYR 16 0.001 -0.709 3.666
103 HB2 TYR 16 HB2 TYR 16 1.933 -2.956 4.440
104 HB3 TYR 16 HB3 TYR 16 1.309 -1.697 5.517
105 HD1 TYR 16 HD2 TYR 16 0.349 -4.697 3.425
106 HD2 TYR 16 HD1 TYR 16 -0.872 -2.066 6.599
107 HE1 TYR 16 HE2 TYR 16 -1.568 -6.157 3.900
108 HE2 TYR 16 HE1 TYR 16 -2.603 -3.681 7.260
109 HH TYR 16 HH TYR 16 -3.383 -6.621 5.387
110 H TRP 17 H TRP 17 1.834 0.729 4.483
111 HA TRP 17 HA TRP 17 3.722 1.141 2.259
112 HB2 TRP 17 HB2 TRP 17 3.315 2.632 4.916
113 HB3 TRP 17 HB3 TRP 17 4.523 3.114 3.716
114 HD1 TRP 17 HD1 TRP 17 1.065 3.904 4.584
115 HE1 TRP 17 HE1 TRP 17 -0.087 5.142 2.718
116 HE3 TRP 17 HE3 TRP 17 4.414 2.992 0.712
117 HZ2 TRP 17 HZ2 TRP 17 0.189 5.616 0.047
118 HZ3 TRP 17 HZ3 TRP 17 3.868 3.971 -1.515
119 HH2 TRP 17 HH2 TRP 17 1.757 5.209 -1.864
120 HA PRO 18 HA PRO 18 6.812 -1.290 4.501
121 HB2 PRO 18 HB2 PRO 18 9.188 -0.403 3.437
122 HB3 PRO 18 HB3 PRO 18 7.949 -1.150 2.378
123 HG2 PRO 18 HG2 PRO 18 8.326 1.840 2.901
124 HG3 PRO 18 HG3 PRO 18 8.363 1.033 1.299
125 HD2 PRO 18 HD2 PRO 18 6.057 2.173 2.227
126 HD3 PRO 18 HD3 PRO 18 5.956 0.575 1.392
Start of MODEL 15
1 H1 SER 1 H SER 1 2.183 -0.377 0.113
2 HA SER 1 HA SER 1 1.675 -0.065 -2.749
3 HB2 SER 1 HB2 SER 1 3.959 0.876 -3.265
4 HB3 SER 1 HB3 SER 1 2.914 2.034 -2.389
5 HG SER 1 HG SER 1 5.095 1.839 -1.408
6 H ILE 2 H ILE 2 4.712 -0.745 -0.832
7 HA ILE 2 HA ILE 2 4.455 -3.625 -1.624
8 HB ILE 2 HB ILE 2 6.931 -3.589 -2.191
9 HG12 ILE 2 HG12 ILE 2 8.000 -1.478 -2.905
10 HG13 ILE 2 HG13 ILE 2 6.590 -0.522 -2.406
11 HG21 ILE 2 HG21 ILE 2 6.608 -2.771 -4.513
12 HG22 ILE 2 HG22 ILE 2 5.181 -3.682 -3.966
13 HG23 ILE 2 HG23 ILE 2 5.132 -1.897 -4.021
14 HD11 ILE 2 HD11 ILE 2 8.407 -2.147 -0.505
15 HD12 ILE 2 HD12 ILE 2 8.502 -0.387 -0.776
16 HD13 ILE 2 HD13 ILE 2 7.063 -1.076 -0.002
17 H GLY 3 H GLY 3 3.799 -2.261 0.907
18 HA2 GLY 3 HA3 GLY 3 6.038 -3.334 2.597
19 HA3 GLY 3 HA2 GLY 3 4.874 -2.077 3.055
20 H ASP 4 H ASP 4 5.224 -4.435 4.574
21 HA ASP 4 HA ASP 4 2.556 -5.641 4.237
22 HB2 ASP 4 HB2 ASP 4 5.110 -6.878 5.272
23 HB3 ASP 4 HB3 ASP 4 3.528 -7.627 5.459
24 H SER 5 H SER 5 3.781 -3.299 5.862
25 HA SER 5 HA SER 5 3.653 -3.918 8.588
26 HB2 SER 5 HB2 SER 5 4.228 -1.667 7.137
27 HB3 SER 5 HB3 SER 5 2.684 -1.233 7.870
28 HG SER 5 HG SER 5 5.001 -1.106 9.010
29 H GLY 6 H GLY 6 1.862 -2.350 9.848
30 HA2 GLY 6 HA3 GLY 6 -0.666 -3.708 9.224
31 HA3 GLY 6 HA2 GLY 6 -0.236 -2.997 10.773
32 H LEU 7 H LEU 7 0.560 -0.724 8.210
33 HA LEU 7 HA LEU 7 -2.012 0.743 8.754
34 HB2 LEU 7 HB2 LEU 7 0.754 1.720 7.862
35 HB3 LEU 7 HB3 LEU 7 -0.748 2.649 7.649
36 HG LEU 7 HG LEU 7 -1.175 2.639 10.105
37 HD11 LEU 7 HD11 LEU 7 0.006 0.561 10.811
38 HD12 LEU 7 HD12 LEU 7 0.680 1.956 11.680
39 HD13 LEU 7 HD13 LEU 7 1.576 1.252 10.302
40 HD21 LEU 7 HD21 LEU 7 0.612 4.278 10.697
41 HD22 LEU 7 HD22 LEU 7 0.043 4.548 9.031
42 HD23 LEU 7 HD23 LEU 7 1.601 3.721 9.316
43 H ARG 8 H ARG 8 -3.499 0.379 6.956
44 HA ARG 8 HA ARG 8 -2.406 -0.888 4.619
45 HB2 ARG 8 HB2 ARG 8 -5.167 0.405 4.981
46 HB3 ARG 8 HB3 ARG 8 -4.595 -0.331 3.467
47 HG2 ARG 8 HG2 ARG 8 -5.938 -1.988 4.535
48 HG3 ARG 8 HG3 ARG 8 -4.263 -2.548 4.647
49 HD2 ARG 8 HD2 ARG 8 -4.133 -1.899 7.006
50 HD3 ARG 8 HD3 ARG 8 -5.700 -1.112 6.997
51 HE ARG 8 HE ARG 8 -5.079 -3.981 7.196
52 HH11 ARG 8 HH11 ARG 8 -7.680 -1.699 6.134
53 HH12 ARG 8 HH12 ARG 8 -8.918 -2.922 6.367
54 HH21 ARG 8 HH21 ARG 8 -6.743 -5.450 7.440
55 HH22 ARG 8 HH22 ARG 8 -8.409 -4.993 7.086
56 H GLU 9 H GLU 9 -2.173 0.192 2.385
57 HA GLU 9 HA GLU 9 -1.076 2.835 2.758
58 HB2 GLU 9 HB2 GLU 9 -1.784 1.528 0.074
59 HB3 GLU 9 HB3 GLU 9 -0.879 3.041 0.315
60 HG2 GLU 9 HG2 GLU 9 0.946 1.768 1.506
61 HG3 GLU 9 HG3 GLU 9 0.037 0.265 1.269
62 H SER 10 H SER 10 -4.055 1.460 1.100
63 HA SER 10 HA SER 10 -5.289 4.192 1.315
64 HB2 SER 10 HB2 SER 10 -6.325 3.687 -0.915
65 HB3 SER 10 HB3 SER 10 -4.532 3.718 -0.998
66 HG SER 10 HG SER 10 -5.422 1.779 -2.032
67 H MET 11 H MET 11 -7.698 4.109 1.295
68 HA MET 11 HA MET 11 -8.565 2.269 3.255
69 HB2 MET 11 HB2 MET 11 -10.833 3.127 2.939
70 HB3 MET 11 HB3 MET 11 -9.656 4.465 2.926
71 HG2 MET 11 HG2 MET 11 -9.824 4.539 0.376
72 HG3 MET 11 HG3 MET 11 -11.062 3.248 0.447
73 HE1 MET 11 HE1 MET 11 -12.972 6.721 -0.298
74 HE2 MET 11 HE2 MET 11 -11.226 6.526 -0.655
75 HE3 MET 11 HE3 MET 11 -12.374 5.196 -1.032
76 H SER 12 H SER 12 -8.850 2.090 -0.377
77 HA SER 12 HA SER 12 -10.758 -0.122 -0.118
78 HB2 SER 12 HB2 SER 12 -10.949 1.500 -1.968
79 HB3 SER 12 HB3 SER 12 -9.363 0.977 -2.615
80 HG SER 12 HG SER 12 -11.173 -0.238 -3.587
81 H SER 13 H SER 13 -7.294 0.203 -1.352
82 HA SER 13 HA SER 13 -7.238 -2.604 -1.999
83 HB2 SER 13 HB2 SER 13 -5.743 -0.811 -3.069
84 HB3 SER 13 HB3 SER 13 -4.825 -0.774 -1.538
85 HG SER 13 HG SER 13 -5.105 -3.071 -3.255
86 H GLN 14 H GLN 14 -5.241 -3.996 -1.012
87 HA GLN 14 HA GLN 14 -5.355 -3.734 1.986
88 HB2 GLN 14 HB2 GLN 14 -6.950 -5.421 0.779
89 HB3 GLN 14 HB3 GLN 14 -5.486 -6.344 0.367
90 HG2 GLN 14 HG2 GLN 14 -4.964 -6.505 2.868
91 HG3 GLN 14 HG3 GLN 14 -6.472 -5.625 3.221
92 HE21 GLN 14 HE21 GLN 14 -8.587 -6.648 2.120
93 HE22 GLN 14 HE22 GLN 14 -8.645 -8.369 2.155
94 H THR 15 H THR 15 -3.354 -2.478 0.648
95 HA THR 15 HA THR 15 -1.017 -4.343 1.026
96 HB THR 15 HB THR 15 -1.174 -3.704 -1.375
97 HG1 THR 15 HG1 THR 15 0.987 -3.710 -0.473
98 HG21 THR 15 HG21 THR 15 -1.344 -0.834 -0.316
99 HG22 THR 15 HG22 THR 15 -2.463 -1.659 -1.424
100 HG23 THR 15 HG23 THR 15 -0.829 -1.224 -1.977
101 H TYR 16 H TYR 16 1.032 -2.788 1.703
102 HA TYR 16 HA TYR 16 -0.036 -0.718 3.591
103 HB2 TYR 16 HB2 TYR 16 1.910 -2.969 4.316
104 HB3 TYR 16 HB3 TYR 16 1.267 -1.749 5.422
105 HD1 TYR 16 HD1 TYR 16 0.354 -4.692 3.229
106 HD2 TYR 16 HD2 TYR 16 -0.918 -2.185 6.478
107 HE1 TYR 16 HE1 TYR 16 -1.568 -6.170 3.618
108 HE2 TYR 16 HE2 TYR 16 -2.652 -3.826 7.054
109 HH TYR 16 HH TYR 16 -3.368 -6.723 5.100
110 H TRP 17 H TRP 17 1.773 0.720 4.448
111 HA TRP 17 HA TRP 17 3.683 1.212 2.258
112 HB2 TRP 17 HB2 TRP 17 3.230 2.618 4.957
113 HB3 TRP 17 HB3 TRP 17 4.449 3.148 3.790
114 HD1 TRP 17 HD1 TRP 17 0.968 3.871 4.633
115 HE1 TRP 17 HE1 TRP 17 -0.165 5.167 2.795
116 HE3 TRP 17 HE3 TRP 17 4.392 3.140 0.790
117 HZ2 TRP 17 HZ2 TRP 17 0.158 5.753 0.149
118 HZ3 TRP 17 HZ3 TRP 17 3.880 4.204 -1.407
119 HH2 TRP 17 HH2 TRP 17 1.766 5.440 -1.745
120 HA PRO 18 HA PRO 18 6.777 -1.244 4.479
121 HB2 PRO 18 HB2 PRO 18 9.163 -0.267 3.515
122 HB3 PRO 18 HB3 PRO 18 7.972 -1.012 2.403
123 HG2 PRO 18 HG2 PRO 18 8.260 1.976 3.011
124 HG3 PRO 18 HG3 PRO 18 8.365 1.218 1.393
125 HD2 PRO 18 HD2 PRO 18 6.018 2.275 2.293
126 HD3 PRO 18 HD3 PRO 18 5.955 0.698 1.419