Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
561454 | 2m37 RC | 18948 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.521 -0.193 0.091
2 HA2 GLY 1 HA3 GLY 1 0.609 -0.649 -2.222
3 HA3 GLY 1 HA2 GLY 1 1.788 0.544 -2.816
4 H LEU 2 H LEU 2 2.249 -1.742 -4.014
5 HA LEU 2 HA LEU 2 4.436 -3.120 -2.435
6 HB2 LEU 2 HB2 LEU 2 2.388 -4.338 -4.366
7 HB3 LEU 2 HB3 LEU 2 3.606 -5.249 -3.438
8 HG LEU 2 HG LEU 2 1.266 -3.672 -2.173
9 HD11 LEU 2 HD11 LEU 2 1.504 -6.692 -2.718
10 HD12 LEU 2 HD12 LEU 2 0.400 -5.557 -3.548
11 HD13 LEU 2 HD13 LEU 2 0.186 -5.892 -1.812
12 HD21 LEU 2 HD21 LEU 2 3.201 -3.999 -0.580
13 HD22 LEU 2 HD22 LEU 2 3.204 -5.746 -0.947
14 HD23 LEU 2 HD23 LEU 2 1.813 -5.001 -0.110
15 H SER 3 H SER 3 4.839 -0.856 -4.184
16 HA SER 3 HA SER 3 6.485 -2.107 -6.286
17 HB2 SER 3 HB2 SER 3 3.990 -0.414 -6.919
18 HB3 SER 3 HB3 SER 3 5.053 -1.136 -8.156
19 HG SER 3 HG SER 3 4.316 -3.229 -7.336
20 H GLN 4 H GLN 4 6.943 0.102 -7.874
21 HA GLN 4 HA GLN 4 7.878 2.130 -5.952
22 HB2 GLN 4 HB2 GLN 4 9.777 2.480 -7.589
23 HB3 GLN 4 HB3 GLN 4 9.800 0.962 -6.702
24 HG2 GLN 4 HG2 GLN 4 8.898 -0.204 -8.628
25 HG3 GLN 4 HG3 GLN 4 8.801 1.314 -9.519
26 HE21 GLN 4 HE21 GLN 4 10.115 0.066 -11.058
27 HE22 GLN 4 HE22 GLN 4 11.831 0.062 -10.855
28 H GLY 5 H GLY 5 5.442 2.592 -6.917
29 HA2 GLY 5 HA3 GLY 5 5.466 4.027 -9.406
30 HA3 GLY 5 HA2 GLY 5 4.135 3.943 -8.262
31 H VAL 6 H VAL 6 3.607 6.078 -8.178
32 HA VAL 6 HA VAL 6 5.719 7.943 -7.316
33 HB VAL 6 HB VAL 6 4.526 9.736 -8.289
34 HG11 VAL 6 HG11 VAL 6 3.848 7.978 -10.497
35 HG12 VAL 6 HG12 VAL 6 5.083 9.233 -10.390
36 HG13 VAL 6 HG13 VAL 6 5.425 7.605 -9.803
37 HG21 VAL 6 HG21 VAL 6 2.233 7.805 -8.589
38 HG22 VAL 6 HG22 VAL 6 2.294 9.256 -7.588
39 HG23 VAL 6 HG23 VAL 6 2.282 9.398 -9.346
40 H GLU 7 H GLU 7 2.477 6.590 -6.363
41 HA GLU 7 HA GLU 7 2.252 8.717 -4.308
42 HB2 GLU 7 HB2 GLU 7 0.028 7.515 -3.803
43 HB3 GLU 7 HB3 GLU 7 0.141 8.633 -5.182
44 HG2 GLU 7 HG2 GLU 7 0.165 6.879 -6.818
45 HG3 GLU 7 HG3 GLU 7 0.470 5.634 -5.583
46 HA PRO 8 HA PRO 8 4.134 5.375 -1.857
47 HB2 PRO 8 HB2 PRO 8 4.484 6.596 0.573
48 HB3 PRO 8 HB3 PRO 8 5.380 7.135 -0.877
49 HG2 PRO 8 HG2 PRO 8 2.763 8.312 0.174
50 HG3 PRO 8 HG3 PRO 8 4.284 9.207 -0.140
51 HD2 PRO 8 HD2 PRO 8 2.278 9.117 -2.015
52 HD3 PRO 8 HD3 PRO 8 4.000 8.972 -2.563
53 H ASP 9 H ASP 9 3.526 3.990 0.151
54 HA ASP 9 HA ASP 9 0.584 4.200 0.702
55 HB2 ASP 9 HB2 ASP 9 2.323 1.808 1.413
56 HB3 ASP 9 HB3 ASP 9 0.556 1.932 1.384
57 H ILE 10 H ILE 10 3.705 3.305 2.510
58 HA ILE 10 HA ILE 10 2.786 5.046 4.714
59 HB ILE 10 HB ILE 10 3.416 2.095 5.286
60 HG12 ILE 10 HG12 ILE 10 0.640 3.384 5.066
61 HG13 ILE 10 HG13 ILE 10 1.338 2.146 3.980
62 HG21 ILE 10 HG21 ILE 10 3.870 3.864 7.081
63 HG22 ILE 10 HG22 ILE 10 2.130 4.267 7.045
64 HG23 ILE 10 HG23 ILE 10 2.678 2.646 7.565
65 HD11 ILE 10 HD11 ILE 10 -0.156 0.996 5.491
66 HD12 ILE 10 HD12 ILE 10 1.509 0.550 5.954
67 HD13 ILE 10 HD13 ILE 10 0.582 1.734 6.929
68 H GLY 11 H GLY 11 5.345 2.413 4.048
69 HA2 GLY 11 HA3 GLY 11 7.334 4.257 5.301
70 HA3 GLY 11 HA2 GLY 11 7.526 2.531 4.945
71 H GLN 12 H GLN 12 9.239 2.487 3.301
72 HA GLN 12 HA GLN 12 9.024 4.529 1.123
73 HB2 GLN 12 HB2 GLN 12 11.272 2.500 1.569
74 HB3 GLN 12 HB3 GLN 12 11.212 3.876 0.448
75 HG2 GLN 12 HG2 GLN 12 12.458 4.864 2.170
76 HG3 GLN 12 HG3 GLN 12 10.831 5.309 2.719
77 HE21 GLN 12 HE21 GLN 12 10.772 4.933 5.076
78 HE22 GLN 12 HE22 GLN 12 11.618 3.636 5.832
79 H THR 13 H THR 13 6.822 3.132 0.781
80 HA THR 13 HA THR 13 7.564 1.371 -1.504
81 HB THR 13 HB THR 13 7.087 -0.138 0.452
82 HG1 THR 13 HG1 THR 13 5.599 -1.389 -0.934
83 HG21 THR 13 HG21 THR 13 4.712 -0.365 1.236
84 HG22 THR 13 HG22 THR 13 4.222 0.979 0.169
85 HG23 THR 13 HG23 THR 13 5.287 1.292 1.577
86 H TYR 14 H TYR 14 5.677 1.133 -3.051
87 HA TYR 14 HA TYR 14 3.718 3.366 -2.858
88 HB2 TYR 14 HB2 TYR 14 6.009 3.025 -4.851
89 HB3 TYR 14 HB3 TYR 14 4.675 4.169 -5.161
90 HD1 TYR 14 HD1 TYR 14 7.657 3.347 -2.995
91 HD2 TYR 14 HD2 TYR 14 4.964 6.409 -4.331
92 HE1 TYR 14 HE1 TYR 14 8.995 5.047 -1.812
93 HE2 TYR 14 HE2 TYR 14 6.409 8.129 -3.340
94 HH TYR 14 HH TYR 14 8.395 8.556 -2.076
95 H PHE 15 H PHE 15 2.261 3.430 -4.872
96 HA PHE 15 HA PHE 15 1.416 0.626 -5.289
97 HB2 PHE 15 HB2 PHE 15 0.169 3.310 -6.111
98 HB3 PHE 15 HB3 PHE 15 -0.595 1.757 -6.420
99 HD1 PHE 15 HD1 PHE 15 -1.080 0.138 -4.535
100 HD2 PHE 15 HD2 PHE 15 -0.038 4.242 -3.774
101 HE1 PHE 15 HE1 PHE 15 -2.196 0.023 -2.332
102 HE2 PHE 15 HE2 PHE 15 -1.201 4.142 -1.608
103 HZ PHE 15 HZ PHE 15 -2.284 2.030 -0.871
104 H GLU 16 H GLU 16 0.479 0.156 -7.671
105 HA GLU 16 HA GLU 16 2.918 0.307 -9.356
106 HB2 GLU 16 HB2 GLU 16 1.734 -1.802 -8.619
107 HB3 GLU 16 HB3 GLU 16 0.349 -1.372 -9.652
108 HG2 GLU 16 HG2 GLU 16 1.656 -1.796 -11.674
109 HG3 GLU 16 HG3 GLU 16 3.205 -1.721 -10.773
110 H GLU 17 H GLU 17 2.242 0.383 -11.878
111 HA GLU 17 HA GLU 17 0.742 2.889 -12.200
112 HB2 GLU 17 HB2 GLU 17 1.947 3.074 -14.372
113 HB3 GLU 17 HB3 GLU 17 3.013 3.062 -12.974
114 HG2 GLU 17 HG2 GLU 17 3.668 0.819 -13.386
115 HG3 GLU 17 HG3 GLU 17 2.418 0.615 -14.612
116 H SER 18 H SER 18 -0.728 0.534 -11.905
117 HA SER 18 HA SER 18 -1.437 -0.621 -14.404
118 HB2 SER 18 HB2 SER 18 -1.894 -1.313 -11.823
119 HB3 SER 18 HB3 SER 18 -3.464 -0.630 -12.248
120 HG SER 18 HG SER 18 -3.759 -2.573 -13.030
121 H ARG 19 H ARG 19 -3.524 -0.432 -15.465
122 HA ARG 19 HA ARG 19 -4.305 2.345 -15.721
123 HB2 ARG 19 HB2 ARG 19 -4.351 0.002 -17.388
124 HB3 ARG 19 HB3 ARG 19 -5.956 0.719 -17.332
125 HG2 ARG 19 HG2 ARG 19 -4.630 2.939 -17.784
126 HG3 ARG 19 HG3 ARG 19 -3.422 1.823 -18.422
127 HD2 ARG 19 HD2 ARG 19 -4.813 2.487 -20.239
128 HD3 ARG 19 HD3 ARG 19 -5.222 0.819 -19.839
129 HE ARG 19 HE ARG 19 -7.023 2.214 -18.410
130 HH11 ARG 19 HH11 ARG 19 -6.043 2.369 -21.747
131 HH12 ARG 19 HH12 ARG 19 -7.593 2.898 -22.313
132 HH21 ARG 19 HH21 ARG 19 -9.067 2.911 -19.143
133 HH22 ARG 19 HH22 ARG 19 -9.312 3.207 -20.831
Start of MODEL 2
1 H1 GLY 1 H GLY 1 1.625 -0.319 0.196
2 HA2 GLY 1 HA3 GLY 1 0.654 -0.820 -2.093
3 HA3 GLY 1 HA2 GLY 1 1.802 0.390 -2.729
4 H LEU 2 H LEU 2 2.306 -1.891 -3.900
5 HA LEU 2 HA LEU 2 4.667 -3.053 -2.423
6 HB2 LEU 2 HB2 LEU 2 2.517 -4.499 -4.077
7 HB3 LEU 2 HB3 LEU 2 3.947 -5.297 -3.375
8 HG LEU 2 HG LEU 2 1.761 -3.933 -1.676
9 HD11 LEU 2 HD11 LEU 2 2.068 -6.909 -2.406
10 HD12 LEU 2 HD12 LEU 2 0.757 -5.819 -2.946
11 HD13 LEU 2 HD13 LEU 2 0.905 -6.244 -1.222
12 HD21 LEU 2 HD21 LEU 2 4.013 -5.916 -0.923
13 HD22 LEU 2 HD22 LEU 2 2.756 -5.309 0.189
14 HD23 LEU 2 HD23 LEU 2 3.966 -4.189 -0.469
15 H SER 3 H SER 3 4.777 -0.855 -4.223
16 HA SER 3 HA SER 3 6.380 -2.073 -6.374
17 HB2 SER 3 HB2 SER 3 3.948 -0.332 -7.097
18 HB3 SER 3 HB3 SER 3 4.958 -1.284 -8.214
19 HG SER 3 HG SER 3 3.064 -2.405 -6.424
20 H GLN 4 H GLN 4 6.715 0.144 -7.981
21 HA GLN 4 HA GLN 4 7.659 2.208 -6.102
22 HB2 GLN 4 HB2 GLN 4 9.489 2.604 -7.806
23 HB3 GLN 4 HB3 GLN 4 9.586 1.091 -6.914
24 HG2 GLN 4 HG2 GLN 4 8.078 0.852 -9.389
25 HG3 GLN 4 HG3 GLN 4 9.742 1.380 -9.638
26 HE21 GLN 4 HE21 GLN 4 11.364 -0.052 -9.419
27 HE22 GLN 4 HE22 GLN 4 11.152 -1.711 -8.988
28 H GLY 5 H GLY 5 5.177 2.593 -6.985
29 HA2 GLY 5 HA3 GLY 5 5.073 4.015 -9.480
30 HA3 GLY 5 HA2 GLY 5 3.785 3.899 -8.289
31 H VAL 6 H VAL 6 3.200 6.019 -8.197
32 HA VAL 6 HA VAL 6 5.287 7.948 -7.419
33 HB VAL 6 HB VAL 6 4.009 9.700 -8.358
34 HG11 VAL 6 HG11 VAL 6 5.160 8.008 -9.924
35 HG12 VAL 6 HG12 VAL 6 3.519 7.517 -10.351
36 HG13 VAL 6 HG13 VAL 6 4.043 9.179 -10.625
37 HG21 VAL 6 HG21 VAL 6 1.764 7.701 -8.531
38 HG22 VAL 6 HG22 VAL 6 1.816 9.193 -7.591
39 HG23 VAL 6 HG23 VAL 6 1.737 9.262 -9.351
40 H GLU 7 H GLU 7 2.138 6.492 -6.332
41 HA GLU 7 HA GLU 7 1.913 8.630 -4.286
42 HB2 GLU 7 HB2 GLU 7 -0.238 7.337 -3.686
43 HB3 GLU 7 HB3 GLU 7 -0.237 8.473 -5.054
44 HG2 GLU 7 HG2 GLU 7 -0.167 6.747 -6.717
45 HG3 GLU 7 HG3 GLU 7 0.172 5.485 -5.507
46 HA PRO 8 HA PRO 8 3.968 5.349 -1.876
47 HB2 PRO 8 HB2 PRO 8 4.335 6.590 0.544
48 HB3 PRO 8 HB3 PRO 8 5.189 7.144 -0.924
49 HG2 PRO 8 HG2 PRO 8 2.568 8.261 0.178
50 HG3 PRO 8 HG3 PRO 8 4.060 9.191 -0.181
51 HD2 PRO 8 HD2 PRO 8 2.003 9.041 -2.000
52 HD3 PRO 8 HD3 PRO 8 3.713 8.936 -2.595
53 H ASP 9 H ASP 9 3.462 3.942 0.145
54 HA ASP 9 HA ASP 9 0.527 4.046 0.750
55 HB2 ASP 9 HB2 ASP 9 2.417 1.749 1.442
56 HB3 ASP 9 HB3 ASP 9 0.643 1.789 1.478
57 H ILE 10 H ILE 10 3.709 3.314 2.526
58 HA ILE 10 HA ILE 10 2.741 5.030 4.720
59 HB ILE 10 HB ILE 10 3.474 2.106 5.319
60 HG12 ILE 10 HG12 ILE 10 0.656 3.300 5.139
61 HG13 ILE 10 HG13 ILE 10 1.376 2.077 4.049
62 HG21 ILE 10 HG21 ILE 10 2.155 4.253 7.084
63 HG22 ILE 10 HG22 ILE 10 2.757 2.653 7.607
64 HG23 ILE 10 HG23 ILE 10 3.904 3.901 7.100
65 HD11 ILE 10 HD11 ILE 10 1.643 0.508 6.036
66 HD12 ILE 10 HD12 ILE 10 0.688 1.666 7.016
67 HD13 ILE 10 HD13 ILE 10 -0.045 0.889 5.595
68 H GLY 11 H GLY 11 5.384 2.481 4.063
69 HA2 GLY 11 HA3 GLY 11 7.218 4.265 5.570
70 HA3 GLY 11 HA2 GLY 11 7.519 2.606 5.051
71 H GLN 12 H GLN 12 8.384 2.230 2.870
72 HA GLN 12 HA GLN 12 8.742 4.679 1.175
73 HB2 GLN 12 HB2 GLN 12 10.657 4.276 2.819
74 HB3 GLN 12 HB3 GLN 12 10.975 2.720 2.010
75 HG2 GLN 12 HG2 GLN 12 11.597 3.922 -0.088
76 HG3 GLN 12 HG3 GLN 12 10.968 5.459 0.557
77 HE21 GLN 12 HE21 GLN 12 13.445 2.878 1.478
78 HE22 GLN 12 HE22 GLN 12 14.561 4.029 2.115
79 H THR 13 H THR 13 6.711 3.101 0.696
80 HA THR 13 HA THR 13 7.617 1.515 -1.663
81 HB THR 13 HB THR 13 7.196 -0.089 0.254
82 HG1 THR 13 HG1 THR 13 6.676 -0.769 -1.961
83 HG21 THR 13 HG21 THR 13 5.387 1.208 1.468
84 HG22 THR 13 HG22 THR 13 4.856 -0.441 1.043
85 HG23 THR 13 HG23 THR 13 4.301 0.945 0.068
86 H TYR 14 H TYR 14 5.654 1.192 -3.205
87 HA TYR 14 HA TYR 14 3.604 3.332 -2.884
88 HB2 TYR 14 HB2 TYR 14 5.814 3.111 -4.979
89 HB3 TYR 14 HB3 TYR 14 4.427 4.214 -5.208
90 HD1 TYR 14 HD1 TYR 14 7.536 3.429 -3.215
91 HD2 TYR 14 HD2 TYR 14 4.712 6.456 -4.348
92 HE1 TYR 14 HE1 TYR 14 8.861 5.122 -2.005
93 HE2 TYR 14 HE2 TYR 14 6.148 8.181 -3.351
94 HH TYR 14 HH TYR 14 8.083 8.608 -2.012
95 H PHE 15 H PHE 15 2.042 3.352 -4.822
96 HA PHE 15 HA PHE 15 1.280 0.523 -5.201
97 HB2 PHE 15 HB2 PHE 15 -0.091 3.156 -5.998
98 HB3 PHE 15 HB3 PHE 15 -0.810 1.572 -6.261
99 HD1 PHE 15 HD2 PHE 15 -1.158 -0.042 -4.339
100 HD2 PHE 15 HD1 PHE 15 -0.246 4.110 -3.667
101 HE1 PHE 15 HE2 PHE 15 -2.200 -0.166 -2.101
102 HE2 PHE 15 HE1 PHE 15 -1.334 3.997 -1.462
103 HZ PHE 15 HZ PHE 15 -2.320 1.859 -0.665
104 H GLU 16 H GLU 16 0.268 -0.002 -7.552
105 HA GLU 16 HA GLU 16 2.643 0.217 -9.313
106 HB2 GLU 16 HB2 GLU 16 1.411 -1.907 -8.532
107 HB3 GLU 16 HB3 GLU 16 0.111 -1.498 -9.663
108 HG2 GLU 16 HG2 GLU 16 2.943 -1.647 -10.826
109 HG3 GLU 16 HG3 GLU 16 2.289 -3.156 -10.191
110 H GLU 17 H GLU 17 1.753 0.180 -11.831
111 HA GLU 17 HA GLU 17 0.356 2.745 -12.115
112 HB2 GLU 17 HB2 GLU 17 1.336 2.801 -14.382
113 HB3 GLU 17 HB3 GLU 17 2.559 2.686 -13.124
114 HG2 GLU 17 HG2 GLU 17 2.979 0.417 -13.598
115 HG3 GLU 17 HG3 GLU 17 1.535 0.282 -14.600
116 H SER 18 H SER 18 -1.209 0.496 -11.551
117 HA SER 18 HA SER 18 -2.263 -0.702 -13.903
118 HB2 SER 18 HB2 SER 18 -3.778 -1.787 -12.500
119 HB3 SER 18 HB3 SER 18 -2.423 -1.477 -11.415
120 HG SER 18 HG SER 18 -4.005 -0.650 -10.258
121 H ARG 19 H ARG 19 -4.247 -0.324 -14.942
122 HA ARG 19 HA ARG 19 -5.157 2.460 -14.746
123 HB2 ARG 19 HB2 ARG 19 -4.714 0.616 -16.945
124 HB3 ARG 19 HB3 ARG 19 -6.328 1.312 -17.002
125 HG2 ARG 19 HG2 ARG 19 -5.569 3.375 -17.497
126 HG3 ARG 19 HG3 ARG 19 -4.127 3.204 -16.494
127 HD2 ARG 19 HD2 ARG 19 -2.883 2.461 -18.207
128 HD3 ARG 19 HD3 ARG 19 -4.178 1.436 -18.825
129 HE ARG 19 HE ARG 19 -4.699 4.191 -19.311
130 HH11 ARG 19 HH11 ARG 19 -2.848 1.465 -20.433
131 HH12 ARG 19 HH12 ARG 19 -2.731 2.047 -22.060
132 HH21 ARG 19 HH21 ARG 19 -4.553 4.969 -21.450
133 HH22 ARG 19 HH22 ARG 19 -3.701 4.041 -22.637
Start of MODEL 3
1 H1 GLY 1 H GLY 1 1.527 -0.209 0.462
2 HA2 GLY 1 HA3 GLY 1 0.459 -0.762 -1.803
3 HA3 GLY 1 HA2 GLY 1 1.600 0.434 -2.475
4 H LEU 2 H LEU 2 2.034 -1.874 -3.655
5 HA LEU 2 HA LEU 2 4.412 -3.069 -2.228
6 HB2 LEU 2 HB2 LEU 2 2.213 -4.507 -3.820
7 HB3 LEU 2 HB3 LEU 2 3.634 -5.304 -3.100
8 HG LEU 2 HG LEU 2 1.432 -3.871 -1.466
9 HD11 LEU 2 HD11 LEU 2 0.470 -5.822 -2.675
10 HD12 LEU 2 HD12 LEU 2 0.578 -6.164 -0.929
11 HD13 LEU 2 HD13 LEU 2 1.777 -6.872 -2.052
12 HD21 LEU 2 HD21 LEU 2 3.621 -4.058 -0.218
13 HD22 LEU 2 HD22 LEU 2 3.685 -5.802 -0.598
14 HD23 LEU 2 HD23 LEU 2 2.407 -5.156 0.471
15 H SER 3 H SER 3 4.562 -0.906 -4.037
16 HA SER 3 HA SER 3 6.011 -2.176 -6.276
17 HB2 SER 3 HB2 SER 3 3.493 -0.454 -6.693
18 HB3 SER 3 HB3 SER 3 4.427 -1.215 -8.007
19 HG SER 3 HG SER 3 3.725 -3.281 -7.088
20 H GLN 4 H GLN 4 6.371 -0.002 -7.902
21 HA GLN 4 HA GLN 4 7.442 2.052 -6.080
22 HB2 GLN 4 HB2 GLN 4 9.222 2.373 -7.851
23 HB3 GLN 4 HB3 GLN 4 9.305 0.868 -6.946
24 HG2 GLN 4 HG2 GLN 4 8.502 -0.392 -8.749
25 HG3 GLN 4 HG3 GLN 4 7.930 1.041 -9.603
26 HE21 GLN 4 HE21 GLN 4 9.965 -1.233 -10.081
27 HE22 GLN 4 HE22 GLN 4 11.339 -0.396 -10.710
28 H GLY 5 H GLY 5 4.944 2.503 -6.881
29 HA2 GLY 5 HA3 GLY 5 4.795 3.901 -9.386
30 HA3 GLY 5 HA2 GLY 5 3.547 3.838 -8.151
31 H VAL 6 H VAL 6 3.029 5.975 -8.061
32 HA VAL 6 HA VAL 6 5.200 7.847 -7.380
33 HB VAL 6 HB VAL 6 3.943 9.628 -8.293
34 HG11 VAL 6 HG11 VAL 6 4.077 9.114 -10.505
35 HG12 VAL 6 HG12 VAL 6 4.901 7.698 -9.850
36 HG13 VAL 6 HG13 VAL 6 3.204 7.594 -10.320
37 HG21 VAL 6 HG21 VAL 6 1.763 9.364 -7.558
38 HG22 VAL 6 HG22 VAL 6 1.611 9.067 -9.290
39 HG23 VAL 6 HG23 VAL 6 1.649 7.711 -8.163
40 H GLU 7 H GLU 7 2.063 6.481 -6.143
41 HA GLU 7 HA GLU 7 1.961 8.671 -4.138
42 HB2 GLU 7 HB2 GLU 7 -0.231 7.478 -3.470
43 HB3 GLU 7 HB3 GLU 7 -0.199 8.569 -4.876
44 HG2 GLU 7 HG2 GLU 7 -0.257 6.787 -6.477
45 HG3 GLU 7 HG3 GLU 7 0.084 5.555 -5.238
46 HA PRO 8 HA PRO 8 3.999 5.362 -1.780
47 HB2 PRO 8 HB2 PRO 8 4.542 6.615 0.599
48 HB3 PRO 8 HB3 PRO 8 5.328 7.124 -0.923
49 HG2 PRO 8 HG2 PRO 8 2.799 8.339 0.301
50 HG3 PRO 8 HG3 PRO 8 4.298 9.219 -0.139
51 HD2 PRO 8 HD2 PRO 8 2.154 9.105 -1.863
52 HD3 PRO 8 HD3 PRO 8 3.834 8.940 -2.530
53 H ASP 9 H ASP 9 3.516 3.961 0.247
54 HA ASP 9 HA ASP 9 0.620 4.185 0.988
55 HB2 ASP 9 HB2 ASP 9 2.424 1.814 1.633
56 HB3 ASP 9 HB3 ASP 9 0.659 1.937 1.738
57 H ILE 10 H ILE 10 3.842 3.351 2.623
58 HA ILE 10 HA ILE 10 3.053 5.124 4.853
59 HB ILE 10 HB ILE 10 3.710 2.185 5.450
60 HG12 ILE 10 HG12 ILE 10 0.924 3.470 5.375
61 HG13 ILE 10 HG13 ILE 10 1.557 2.211 4.272
62 HG21 ILE 10 HG21 ILE 10 4.273 3.989 7.180
63 HG22 ILE 10 HG22 ILE 10 2.535 4.398 7.239
64 HG23 ILE 10 HG23 ILE 10 3.109 2.786 7.758
65 HD11 ILE 10 HD11 ILE 10 0.159 1.092 5.899
66 HD12 ILE 10 HD12 ILE 10 1.852 0.661 6.269
67 HD13 ILE 10 HD13 ILE 10 0.981 1.864 7.272
68 H GLY 11 H GLY 11 5.548 2.465 4.075
69 HA2 GLY 11 HA3 GLY 11 7.575 4.242 5.339
70 HA3 GLY 11 HA2 GLY 11 7.755 2.540 4.901
71 H GLN 12 H GLN 12 8.979 2.198 2.933
72 HA GLN 12 HA GLN 12 9.057 4.519 1.004
73 HB2 GLN 12 HB2 GLN 12 11.166 3.907 2.382
74 HB3 GLN 12 HB3 GLN 12 11.203 2.377 1.474
75 HG2 GLN 12 HG2 GLN 12 11.244 3.802 -0.699
76 HG3 GLN 12 HG3 GLN 12 11.414 5.246 0.326
77 HE21 GLN 12 HE21 GLN 12 13.343 5.021 2.093
78 HE22 GLN 12 HE22 GLN 12 14.784 4.317 1.460
79 H THR 13 H THR 13 6.832 3.052 0.746
80 HA THR 13 HA THR 13 7.473 1.373 -1.637
81 HB THR 13 HB THR 13 7.093 -0.162 0.361
82 HG1 THR 13 HG1 THR 13 6.470 -0.872 -1.816
83 HG21 THR 13 HG21 THR 13 5.377 1.247 1.588
84 HG22 THR 13 HG22 THR 13 4.777 -0.400 1.246
85 HG23 THR 13 HG23 THR 13 4.229 0.966 0.240
86 H TYR 14 H TYR 14 5.467 1.126 -3.062
87 HA TYR 14 HA TYR 14 3.521 3.350 -2.704
88 HB2 TYR 14 HB2 TYR 14 5.637 2.988 -4.881
89 HB3 TYR 14 HB3 TYR 14 4.277 4.123 -5.099
90 HD1 TYR 14 HD1 TYR 14 7.434 3.327 -3.170
91 HD2 TYR 14 HD2 TYR 14 4.631 6.377 -4.290
92 HE1 TYR 14 HE1 TYR 14 8.913 5.034 -2.205
93 HE2 TYR 14 HE2 TYR 14 6.191 8.110 -3.483
94 HH TYR 14 HH TYR 14 9.425 7.388 -2.195
95 H PHE 15 H PHE 15 1.889 3.377 -4.580
96 HA PHE 15 HA PHE 15 1.037 0.561 -4.917
97 HB2 PHE 15 HB2 PHE 15 -0.291 3.223 -5.695
98 HB3 PHE 15 HB3 PHE 15 -1.056 1.651 -5.911
99 HD1 PHE 15 HD2 PHE 15 -1.388 0.080 -3.952
100 HD2 PHE 15 HD1 PHE 15 -0.343 4.214 -3.377
101 HE1 PHE 15 HE2 PHE 15 -2.334 0.011 -1.669
102 HE2 PHE 15 HE1 PHE 15 -1.329 4.156 -1.123
103 HZ PHE 15 HZ PHE 15 -2.331 2.055 -0.255
104 H GLU 16 H GLU 16 -0.025 0.037 -7.238
105 HA GLU 16 HA GLU 16 2.308 0.223 -9.036
106 HB2 GLU 16 HB2 GLU 16 1.138 -1.926 -8.430
107 HB3 GLU 16 HB3 GLU 16 -0.311 -1.365 -9.307
108 HG2 GLU 16 HG2 GLU 16 0.936 -1.433 -11.459
109 HG3 GLU 16 HG3 GLU 16 2.472 -1.738 -10.594
110 H GLU 17 H GLU 17 1.962 0.735 -11.379
111 HA GLU 17 HA GLU 17 0.021 2.914 -11.706
112 HB2 GLU 17 HB2 GLU 17 1.494 3.665 -13.557
113 HB3 GLU 17 HB3 GLU 17 2.311 3.617 -12.001
114 HG2 GLU 17 HG2 GLU 17 3.357 1.504 -12.599
115 HG3 GLU 17 HG3 GLU 17 2.518 1.519 -14.149
116 H SER 18 H SER 18 -0.929 0.299 -11.964
117 HA SER 18 HA SER 18 -0.953 -0.581 -14.666
118 HB2 SER 18 HB2 SER 18 -2.724 -1.211 -12.302
119 HB3 SER 18 HB3 SER 18 -2.930 -1.969 -13.881
120 HG SER 18 HG SER 18 -1.465 -2.931 -12.101
121 H ARG 19 H ARG 19 -2.962 -0.745 -15.978
122 HA ARG 19 HA ARG 19 -4.228 1.869 -16.112
123 HB2 ARG 19 HB2 ARG 19 -3.276 0.264 -18.057
124 HB3 ARG 19 HB3 ARG 19 -4.960 -0.244 -18.054
125 HG2 ARG 19 HG2 ARG 19 -5.657 2.075 -18.402
126 HG3 ARG 19 HG3 ARG 19 -3.965 2.575 -18.418
127 HD2 ARG 19 HD2 ARG 19 -4.141 0.480 -20.259
128 HD3 ARG 19 HD3 ARG 19 -5.574 1.469 -20.538
129 HE ARG 19 HE ARG 19 -2.865 2.158 -21.136
130 HH11 ARG 19 HH11 ARG 19 -5.981 3.447 -20.273
131 HH12 ARG 19 HH12 ARG 19 -5.684 4.996 -20.989
132 HH21 ARG 19 HH21 ARG 19 -2.461 4.194 -22.083
133 HH22 ARG 19 HH22 ARG 19 -3.681 5.420 -22.019
Start of MODEL 4
1 H1 GLY 1 H GLY 1 1.421 -0.309 0.167
2 HA2 GLY 1 HA3 GLY 1 0.552 -0.823 -2.142
3 HA3 GLY 1 HA2 GLY 1 1.701 0.398 -2.751
4 H LEU 2 H LEU 2 2.239 -1.920 -3.889
5 HA LEU 2 HA LEU 2 4.575 -3.043 -2.338
6 HB2 LEU 2 HB2 LEU 2 2.535 -4.539 -4.079
7 HB3 LEU 2 HB3 LEU 2 3.920 -5.295 -3.249
8 HG LEU 2 HG LEU 2 1.560 -3.937 -1.790
9 HD11 LEU 2 HD11 LEU 2 2.057 -6.929 -2.334
10 HD12 LEU 2 HD12 LEU 2 0.764 -5.931 -3.060
11 HD13 LEU 2 HD13 LEU 2 0.756 -6.257 -1.309
12 HD21 LEU 2 HD21 LEU 2 2.435 -5.183 0.219
13 HD22 LEU 2 HD22 LEU 2 3.656 -4.042 -0.381
14 HD23 LEU 2 HD23 LEU 2 3.813 -5.783 -0.746
15 H SER 3 H SER 3 4.708 -0.854 -4.176
16 HA SER 3 HA SER 3 6.368 -2.099 -6.279
17 HB2 SER 3 HB2 SER 3 3.934 -0.362 -7.019
18 HB3 SER 3 HB3 SER 3 4.986 -1.259 -8.144
19 HG SER 3 HG SER 3 3.094 -2.477 -6.412
20 H GLN 4 H GLN 4 6.777 0.110 -7.880
21 HA GLN 4 HA GLN 4 7.705 2.159 -5.975
22 HB2 GLN 4 HB2 GLN 4 9.576 2.536 -7.638
23 HB3 GLN 4 HB3 GLN 4 9.635 1.019 -6.749
24 HG2 GLN 4 HG2 GLN 4 8.555 -0.076 -8.722
25 HG3 GLN 4 HG3 GLN 4 8.771 1.440 -9.596
26 HE21 GLN 4 HE21 GLN 4 10.208 0.749 -11.094
27 HE22 GLN 4 HE22 GLN 4 11.800 0.191 -10.722
28 H GLY 5 H GLY 5 5.248 2.576 -6.910
29 HA2 GLY 5 HA3 GLY 5 5.215 4.005 -9.403
30 HA3 GLY 5 HA2 GLY 5 3.901 3.902 -8.241
31 H VAL 6 H VAL 6 3.339 6.028 -8.154
32 HA VAL 6 HA VAL 6 5.433 7.930 -7.328
33 HB VAL 6 HB VAL 6 4.196 9.700 -8.289
34 HG11 VAL 6 HG11 VAL 6 3.514 7.924 -10.481
35 HG12 VAL 6 HG12 VAL 6 4.730 9.200 -10.396
36 HG13 VAL 6 HG13 VAL 6 5.107 7.580 -9.810
37 HG21 VAL 6 HG21 VAL 6 1.942 9.307 -9.321
38 HG22 VAL 6 HG22 VAL 6 1.929 7.729 -8.533
39 HG23 VAL 6 HG23 VAL 6 1.982 9.200 -7.561
40 H GLU 7 H GLU 7 2.240 6.515 -6.312
41 HA GLU 7 HA GLU 7 2.006 8.652 -4.265
42 HB2 GLU 7 HB2 GLU 7 -0.172 7.387 -3.704
43 HB3 GLU 7 HB3 GLU 7 -0.132 8.526 -5.070
44 HG2 GLU 7 HG2 GLU 7 -0.056 6.801 -6.735
45 HG3 GLU 7 HG3 GLU 7 0.245 5.534 -5.520
46 HA PRO 8 HA PRO 8 3.975 5.346 -1.815
47 HB2 PRO 8 HB2 PRO 8 4.286 6.576 0.617
48 HB3 PRO 8 HB3 PRO 8 5.184 7.129 -0.824
49 HG2 PRO 8 HG2 PRO 8 2.544 8.265 0.211
50 HG3 PRO 8 HG3 PRO 8 4.052 9.182 -0.105
51 HD2 PRO 8 HD2 PRO 8 2.046 9.058 -1.980
52 HD3 PRO 8 HD3 PRO 8 3.770 8.937 -2.529
53 H ASP 9 H ASP 9 3.386 3.917 0.158
54 HA ASP 9 HA ASP 9 0.446 4.083 0.720
55 HB2 ASP 9 HB2 ASP 9 2.255 1.731 1.443
56 HB3 ASP 9 HB3 ASP 9 0.484 1.821 1.422
57 H ILE 10 H ILE 10 3.585 3.274 2.521
58 HA ILE 10 HA ILE 10 2.643 5.007 4.714
59 HB ILE 10 HB ILE 10 3.332 2.073 5.311
60 HG12 ILE 10 HG12 ILE 10 0.533 3.312 5.120
61 HG13 ILE 10 HG13 ILE 10 1.237 2.079 4.032
62 HG21 ILE 10 HG21 ILE 10 2.037 4.237 7.074
63 HG22 ILE 10 HG22 ILE 10 2.614 2.627 7.597
64 HG23 ILE 10 HG23 ILE 10 3.782 3.859 7.094
65 HD11 ILE 10 HD11 ILE 10 -0.213 0.915 5.571
66 HD12 ILE 10 HD12 ILE 10 1.466 0.503 6.018
67 HD13 ILE 10 HD13 ILE 10 0.528 1.677 6.995
68 H GLY 11 H GLY 11 5.242 2.422 4.050
69 HA2 GLY 11 HA3 GLY 11 7.165 4.254 5.404
70 HA3 GLY 11 HA2 GLY 11 7.395 2.549 5.004
71 H GLN 12 H GLN 12 8.765 2.235 3.129
72 HA GLN 12 HA GLN 12 8.884 4.524 1.169
73 HB2 GLN 12 HB2 GLN 12 10.925 3.991 2.635
74 HB3 GLN 12 HB3 GLN 12 11.035 2.427 1.792
75 HG2 GLN 12 HG2 GLN 12 11.189 3.731 -0.429
76 HG3 GLN 12 HG3 GLN 12 11.224 5.241 0.511
77 HE21 GLN 12 HE21 GLN 12 13.036 5.275 2.372
78 HE22 GLN 12 HE22 GLN 12 14.545 4.584 1.909
79 H THR 13 H THR 13 6.699 3.094 0.752
80 HA THR 13 HA THR 13 7.481 1.401 -1.568
81 HB THR 13 HB THR 13 7.044 -0.154 0.389
82 HG1 THR 13 HG1 THR 13 6.517 -0.855 -1.818
83 HG21 THR 13 HG21 THR 13 4.701 -0.433 1.192
84 HG22 THR 13 HG22 THR 13 4.169 0.928 0.170
85 HG23 THR 13 HG23 THR 13 5.259 1.223 1.561
86 H TYR 14 H TYR 14 5.585 1.163 -3.122
87 HA TYR 14 HA TYR 14 3.573 3.343 -2.839
88 HB2 TYR 14 HB2 TYR 14 5.831 3.075 -4.881
89 HB3 TYR 14 HB3 TYR 14 4.473 4.206 -5.142
90 HD1 TYR 14 HD2 TYR 14 7.509 3.351 -3.065
91 HD2 TYR 14 HD1 TYR 14 4.788 6.443 -4.272
92 HE1 TYR 14 HE2 TYR 14 8.836 5.010 -1.811
93 HE2 TYR 14 HE1 TYR 14 6.229 8.131 -3.222
94 HH TYR 14 HH TYR 14 8.122 8.510 -1.809
95 H PHE 15 H PHE 15 2.060 3.388 -4.818
96 HA PHE 15 HA PHE 15 1.265 0.568 -5.219
97 HB2 PHE 15 HB2 PHE 15 -0.057 3.221 -6.028
98 HB3 PHE 15 HB3 PHE 15 -0.791 1.647 -6.309
99 HD1 PHE 15 HD2 PHE 15 -1.196 0.030 -4.407
100 HD2 PHE 15 HD1 PHE 15 -0.231 4.161 -3.691
101 HE1 PHE 15 HE2 PHE 15 -2.255 -0.101 -2.177
102 HE2 PHE 15 HE1 PHE 15 -1.334 4.043 -1.494
103 HZ PHE 15 HZ PHE 15 -2.351 1.911 -0.722
104 H GLU 16 H GLU 16 0.289 0.083 -7.599
105 HA GLU 16 HA GLU 16 2.725 0.248 -9.292
106 HB2 GLU 16 HB2 GLU 16 1.354 -1.858 -8.482
107 HB3 GLU 16 HB3 GLU 16 0.228 -1.460 -9.800
108 HG2 GLU 16 HG2 GLU 16 2.038 -2.012 -11.454
109 HG3 GLU 16 HG3 GLU 16 3.269 -1.971 -10.164
110 H GLU 17 H GLU 17 1.818 0.162 -11.841
111 HA GLU 17 HA GLU 17 0.479 2.757 -12.154
112 HB2 GLU 17 HB2 GLU 17 1.462 2.781 -14.413
113 HB3 GLU 17 HB3 GLU 17 2.688 2.626 -13.162
114 HG2 GLU 17 HG2 GLU 17 2.969 0.305 -13.620
115 HG3 GLU 17 HG3 GLU 17 1.579 0.296 -14.704
116 H SER 18 H SER 18 -1.131 0.552 -11.558
117 HA SER 18 HA SER 18 -2.210 -0.662 -13.891
118 HB2 SER 18 HB2 SER 18 -3.517 -0.308 -11.183
119 HB3 SER 18 HB3 SER 18 -3.983 -1.466 -12.428
120 HG SER 18 HG SER 18 -1.804 -2.332 -12.187
121 H ARG 19 H ARG 19 -4.335 -0.329 -14.780
122 HA ARG 19 HA ARG 19 -5.077 2.511 -14.779
123 HB2 ARG 19 HB2 ARG 19 -4.978 0.415 -16.814
124 HB3 ARG 19 HB3 ARG 19 -6.490 1.314 -16.828
125 HG2 ARG 19 HG2 ARG 19 -5.389 3.357 -17.234
126 HG3 ARG 19 HG3 ARG 19 -3.811 2.668 -16.849
127 HD2 ARG 19 HD2 ARG 19 -3.682 1.515 -18.854
128 HD3 ARG 19 HD3 ARG 19 -5.428 1.540 -19.096
129 HE ARG 19 HE ARG 19 -4.644 4.168 -19.196
130 HH11 ARG 19 HH11 ARG 19 -3.859 1.251 -20.926
131 HH12 ARG 19 HH12 ARG 19 -3.501 2.072 -22.409
132 HH21 ARG 19 HH21 ARG 19 -4.176 5.260 -21.144
133 HH22 ARG 19 HH22 ARG 19 -3.681 4.352 -22.532
Start of MODEL 5
1 H1 GLY 1 H GLY 1 1.593 -0.287 0.139
2 HA2 GLY 1 HA3 GLY 1 0.658 -0.770 -2.136
3 HA3 GLY 1 HA2 GLY 1 1.762 0.473 -2.777
4 H LEU 2 H LEU 2 2.245 -1.859 -3.952
5 HA LEU 2 HA LEU 2 4.527 -3.138 -2.426
6 HB2 LEU 2 HB2 LEU 2 2.509 -4.435 -4.333
7 HB3 LEU 2 HB3 LEU 2 3.766 -5.289 -3.400
8 HG LEU 2 HG LEU 2 1.347 -3.804 -2.166
9 HD11 LEU 2 HD11 LEU 2 0.396 -6.074 -1.753
10 HD12 LEU 2 HD12 LEU 2 1.769 -6.821 -2.621
11 HD13 LEU 2 HD13 LEU 2 0.608 -5.781 -3.498
12 HD21 LEU 2 HD21 LEU 2 3.277 -3.966 -0.553
13 HD22 LEU 2 HD22 LEU 2 3.410 -5.716 -0.881
14 HD23 LEU 2 HD23 LEU 2 1.961 -5.055 -0.070
15 H SER 3 H SER 3 4.823 -0.855 -4.188
16 HA SER 3 HA SER 3 6.446 -2.067 -6.337
17 HB2 SER 3 HB2 SER 3 3.926 -0.396 -6.913
18 HB3 SER 3 HB3 SER 3 4.940 -1.168 -8.160
19 HG SER 3 HG SER 3 4.199 -3.225 -7.242
20 H GLN 4 H GLN 4 6.800 0.150 -7.948
21 HA GLN 4 HA GLN 4 7.733 2.208 -6.056
22 HB2 GLN 4 HB2 GLN 4 9.578 2.604 -7.743
23 HB3 GLN 4 HB3 GLN 4 9.664 1.088 -6.855
24 HG2 GLN 4 HG2 GLN 4 9.130 -0.181 -8.694
25 HG3 GLN 4 HG3 GLN 4 8.308 1.150 -9.506
26 HE21 GLN 4 HE21 GLN 4 11.550 0.546 -8.184
27 HE22 GLN 4 HE22 GLN 4 12.406 1.087 -9.583
28 H GLY 5 H GLY 5 5.259 2.600 -6.958
29 HA2 GLY 5 HA3 GLY 5 5.179 4.028 -9.450
30 HA3 GLY 5 HA2 GLY 5 3.881 3.913 -8.271
31 H VAL 6 H VAL 6 3.299 6.033 -8.177
32 HA VAL 6 HA VAL 6 5.385 7.956 -7.379
33 HB VAL 6 HB VAL 6 4.117 9.713 -8.324
34 HG11 VAL 6 HG11 VAL 6 3.495 7.740 -10.431
35 HG12 VAL 6 HG12 VAL 6 4.426 9.237 -10.513
36 HG13 VAL 6 HG13 VAL 6 5.162 7.773 -9.857
37 HG21 VAL 6 HG21 VAL 6 1.869 7.721 -8.552
38 HG22 VAL 6 HG22 VAL 6 1.919 9.179 -7.560
39 HG23 VAL 6 HG23 VAL 6 1.854 9.310 -9.317
40 H GLU 7 H GLU 7 2.210 6.518 -6.333
41 HA GLU 7 HA GLU 7 1.975 8.649 -4.284
42 HB2 GLU 7 HB2 GLU 7 -0.192 7.365 -3.711
43 HB3 GLU 7 HB3 GLU 7 -0.161 8.493 -5.088
44 HG2 GLU 7 HG2 GLU 7 -0.116 6.747 -6.735
45 HG3 GLU 7 HG3 GLU 7 0.254 5.503 -5.514
46 HA PRO 8 HA PRO 8 4.011 5.362 -1.869
47 HB2 PRO 8 HB2 PRO 8 4.393 6.604 0.544
48 HB3 PRO 8 HB3 PRO 8 5.240 7.157 -0.929
49 HG2 PRO 8 HG2 PRO 8 2.623 8.278 0.184
50 HG3 PRO 8 HG3 PRO 8 4.115 9.206 -0.174
51 HD2 PRO 8 HD2 PRO 8 2.060 9.065 -1.995
52 HD3 PRO 8 HD3 PRO 8 3.769 8.954 -2.589
53 H ASP 9 H ASP 9 3.486 3.958 0.147
54 HA ASP 9 HA ASP 9 0.550 4.091 0.743
55 HB2 ASP 9 HB2 ASP 9 2.410 1.763 1.431
56 HB3 ASP 9 HB3 ASP 9 0.637 1.824 1.439
57 H ILE 10 H ILE 10 3.719 3.326 2.504
58 HA ILE 10 HA ILE 10 2.766 5.034 4.716
59 HB ILE 10 HB ILE 10 3.538 2.110 5.274
60 HG12 ILE 10 HG12 ILE 10 0.714 3.304 5.155
61 HG13 ILE 10 HG13 ILE 10 1.414 2.090 4.044
62 HG21 ILE 10 HG21 ILE 10 2.861 2.627 7.581
63 HG22 ILE 10 HG22 ILE 10 3.997 3.883 7.067
64 HG23 ILE 10 HG23 ILE 10 2.247 4.233 7.090
65 HD11 ILE 10 HD11 ILE 10 0.775 1.654 7.017
66 HD12 ILE 10 HD12 ILE 10 0.015 0.892 5.603
67 HD13 ILE 10 HD13 ILE 10 1.709 0.503 6.011
68 H GLY 11 H GLY 11 5.428 2.531 3.996
69 HA2 GLY 11 HA3 GLY 11 7.320 4.441 5.297
70 HA3 GLY 11 HA2 GLY 11 7.582 2.732 4.948
71 H GLN 12 H GLN 12 8.837 2.330 3.025
72 HA GLN 12 HA GLN 12 9.074 4.624 1.065
73 HB2 GLN 12 HB2 GLN 12 11.064 2.474 1.949
74 HB3 GLN 12 HB3 GLN 12 11.388 3.703 0.703
75 HG2 GLN 12 HG2 GLN 12 11.561 5.472 2.293
76 HG3 GLN 12 HG3 GLN 12 10.478 4.695 3.458
77 HE21 GLN 12 HE21 GLN 12 13.834 4.285 2.036
78 HE22 GLN 12 HE22 GLN 12 14.464 3.564 3.474
79 H THR 13 H THR 13 6.840 3.176 0.684
80 HA THR 13 HA THR 13 7.599 1.489 -1.652
81 HB THR 13 HB THR 13 7.216 -0.063 0.301
82 HG1 THR 13 HG1 THR 13 5.728 -1.338 -1.049
83 HG21 THR 13 HG21 THR 13 4.321 0.984 0.132
84 HG22 THR 13 HG22 THR 13 5.428 1.300 1.507
85 HG23 THR 13 HG23 THR 13 4.889 -0.366 1.153
86 H TYR 14 H TYR 14 5.652 1.173 -3.132
87 HA TYR 14 HA TYR 14 3.630 3.344 -2.874
88 HB2 TYR 14 HB2 TYR 14 5.873 3.076 -4.931
89 HB3 TYR 14 HB3 TYR 14 4.498 4.185 -5.200
90 HD1 TYR 14 HD1 TYR 14 7.577 3.432 -3.159
91 HD2 TYR 14 HD2 TYR 14 4.747 6.432 -4.344
92 HE1 TYR 14 HE1 TYR 14 8.918 5.140 -2.012
93 HE2 TYR 14 HE2 TYR 14 6.200 8.180 -3.385
94 HH TYR 14 HH TYR 14 9.292 7.495 -1.752
95 H PHE 15 H PHE 15 2.127 3.351 -4.884
96 HA PHE 15 HA PHE 15 1.350 0.512 -5.232
97 HB2 PHE 15 HB2 PHE 15 -0.007 3.148 -6.039
98 HB3 PHE 15 HB3 PHE 15 -0.726 1.564 -6.312
99 HD1 PHE 15 HD2 PHE 15 -1.116 -0.044 -4.399
100 HD2 PHE 15 HD1 PHE 15 -0.160 4.092 -3.704
101 HE1 PHE 15 HE2 PHE 15 -2.163 -0.169 -2.163
102 HE2 PHE 15 HE1 PHE 15 -1.255 3.981 -1.502
103 HZ PHE 15 HZ PHE 15 -2.258 1.848 -0.715
104 H GLU 16 H GLU 16 0.366 -0.053 -7.563
105 HA GLU 16 HA GLU 16 2.728 0.149 -9.324
106 HB2 GLU 16 HB2 GLU 16 0.877 -1.934 -8.791
107 HB3 GLU 16 HB3 GLU 16 0.327 -1.312 -10.352
108 HG2 GLU 16 HG2 GLU 16 2.869 -1.682 -11.116
109 HG3 GLU 16 HG3 GLU 16 3.056 -2.523 -9.576
110 H GLU 17 H GLU 17 1.888 0.216 -11.833
111 HA GLU 17 HA GLU 17 0.451 2.762 -12.119
112 HB2 GLU 17 HB2 GLU 17 1.504 2.875 -14.357
113 HB3 GLU 17 HB3 GLU 17 2.682 2.793 -13.055
114 HG2 GLU 17 HG2 GLU 17 3.108 0.478 -13.504
115 HG3 GLU 17 HG3 GLU 17 1.804 0.425 -14.689
116 H SER 18 H SER 18 -1.069 0.462 -11.648
117 HA SER 18 HA SER 18 -2.007 -0.724 -14.054
118 HB2 SER 18 HB2 SER 18 -2.758 -0.773 -11.198
119 HB3 SER 18 HB3 SER 18 -4.076 -1.085 -12.327
120 HG SER 18 HG SER 18 -2.434 -2.844 -11.516
121 H ARG 19 H ARG 19 -3.989 -0.396 -15.133
122 HA ARG 19 HA ARG 19 -4.867 2.385 -15.091
123 HB2 ARG 19 HB2 ARG 19 -4.428 0.525 -17.133
124 HB3 ARG 19 HB3 ARG 19 -6.175 0.716 -17.064
125 HG2 ARG 19 HG2 ARG 19 -5.707 3.235 -17.107
126 HG3 ARG 19 HG3 ARG 19 -4.083 2.781 -17.629
127 HD2 ARG 19 HD2 ARG 19 -6.062 1.333 -19.130
128 HD3 ARG 19 HD3 ARG 19 -6.378 3.066 -19.214
129 HE ARG 19 HE ARG 19 -3.631 2.431 -19.680
130 HH11 ARG 19 HH11 ARG 19 -6.780 2.580 -21.157
131 HH12 ARG 19 HH12 ARG 19 -6.161 2.802 -22.760
132 HH21 ARG 19 HH21 ARG 19 -2.804 2.723 -21.786
133 HH22 ARG 19 HH22 ARG 19 -3.900 2.882 -23.117
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.571 -0.284 0.085
2 HA2 GLY 1 HA3 GLY 1 0.589 -0.776 -2.183
3 HA3 GLY 1 HA2 GLY 1 1.721 0.433 -2.843
4 H LEU 2 H LEU 2 2.164 -1.889 -4.011
5 HA LEU 2 HA LEU 2 4.519 -3.107 -2.564
6 HB2 LEU 2 HB2 LEU 2 2.363 -4.500 -4.240
7 HB3 LEU 2 HB3 LEU 2 3.754 -5.314 -3.477
8 HG LEU 2 HG LEU 2 1.509 -3.882 -1.909
9 HD11 LEU 2 HD11 LEU 2 1.872 -6.886 -2.483
10 HD12 LEU 2 HD12 LEU 2 0.588 -5.837 -3.152
11 HD13 LEU 2 HD13 LEU 2 0.640 -6.171 -1.402
12 HD21 LEU 2 HD21 LEU 2 3.740 -5.805 -0.969
13 HD22 LEU 2 HD22 LEU 2 2.420 -5.176 0.055
14 HD23 LEU 2 HD23 LEU 2 3.648 -4.065 -0.582
15 H SER 3 H SER 3 4.752 -0.898 -4.288
16 HA SER 3 HA SER 3 6.274 -2.104 -6.507
17 HB2 SER 3 HB2 SER 3 3.761 -0.390 -6.971
18 HB3 SER 3 HB3 SER 3 4.753 -1.092 -8.272
19 HG SER 3 HG SER 3 4.030 -3.197 -7.456
20 H GLN 4 H GLN 4 6.680 0.100 -8.072
21 HA GLN 4 HA GLN 4 7.682 2.131 -6.187
22 HB2 GLN 4 HB2 GLN 4 9.521 2.482 -7.888
23 HB3 GLN 4 HB3 GLN 4 9.577 0.962 -7.006
24 HG2 GLN 4 HG2 GLN 4 9.347 -0.250 -8.858
25 HG3 GLN 4 HG3 GLN 4 8.063 0.783 -9.483
26 HE21 GLN 4 HE21 GLN 4 11.568 0.745 -8.969
27 HE22 GLN 4 HE22 GLN 4 11.964 1.598 -10.418
28 H GLY 5 H GLY 5 5.211 2.585 -7.066
29 HA2 GLY 5 HA3 GLY 5 5.144 4.018 -9.556
30 HA3 GLY 5 HA2 GLY 5 3.854 3.931 -8.366
31 H VAL 6 H VAL 6 3.322 6.063 -8.260
32 HA VAL 6 HA VAL 6 5.458 7.935 -7.477
33 HB VAL 6 HB VAL 6 4.225 9.724 -8.407
34 HG11 VAL 6 HG11 VAL 6 3.500 7.875 -10.557
35 HG12 VAL 6 HG12 VAL 6 4.621 9.238 -10.560
36 HG13 VAL 6 HG13 VAL 6 5.142 7.667 -9.950
37 HG21 VAL 6 HG21 VAL 6 1.948 9.382 -9.381
38 HG22 VAL 6 HG22 VAL 6 1.928 7.786 -8.632
39 HG23 VAL 6 HG23 VAL 6 2.020 9.231 -7.626
40 H GLU 7 H GLU 7 2.259 6.571 -6.408
41 HA GLU 7 HA GLU 7 2.099 8.696 -4.345
42 HB2 GLU 7 HB2 GLU 7 -0.099 7.469 -3.761
43 HB3 GLU 7 HB3 GLU 7 -0.046 8.601 -5.133
44 HG2 GLU 7 HG2 GLU 7 -0.064 6.862 -6.787
45 HG3 GLU 7 HG3 GLU 7 0.287 5.605 -5.573
46 HA PRO 8 HA PRO 8 4.070 5.353 -1.958
47 HB2 PRO 8 HB2 PRO 8 4.477 6.567 0.465
48 HB3 PRO 8 HB3 PRO 8 5.336 7.114 -1.003
49 HG2 PRO 8 HG2 PRO 8 2.745 8.282 0.120
50 HG3 PRO 8 HG3 PRO 8 4.256 9.180 -0.238
51 HD2 PRO 8 HD2 PRO 8 2.191 9.091 -2.052
52 HD3 PRO 8 HD3 PRO 8 3.896 8.953 -2.652
53 H ASP 9 H ASP 9 3.510 3.921 0.022
54 HA ASP 9 HA ASP 9 0.586 4.114 0.642
55 HB2 ASP 9 HB2 ASP 9 2.408 1.766 1.347
56 HB3 ASP 9 HB3 ASP 9 0.637 1.856 1.366
57 H ILE 10 H ILE 10 3.756 3.317 2.391
58 HA ILE 10 HA ILE 10 2.843 5.053 4.598
59 HB ILE 10 HB ILE 10 3.585 2.126 5.175
60 HG12 ILE 10 HG12 ILE 10 0.773 3.348 5.052
61 HG13 ILE 10 HG13 ILE 10 1.457 2.110 3.957
62 HG21 ILE 10 HG21 ILE 10 4.070 3.910 6.948
63 HG22 ILE 10 HG22 ILE 10 2.323 4.277 6.977
64 HG23 ILE 10 HG23 ILE 10 2.924 2.671 7.481
65 HD11 ILE 10 HD11 ILE 10 0.815 1.730 6.938
66 HD12 ILE 10 HD12 ILE 10 0.050 0.949 5.537
67 HD13 ILE 10 HD13 ILE 10 1.740 0.552 5.955
68 H GLY 11 H GLY 11 5.466 2.508 3.869
69 HA2 GLY 11 HA3 GLY 11 7.391 4.399 5.149
70 HA3 GLY 11 HA2 GLY 11 7.625 2.684 4.814
71 H GLN 12 H GLN 12 8.801 2.208 2.856
72 HA GLN 12 HA GLN 12 9.133 4.497 0.903
73 HB2 GLN 12 HB2 GLN 12 11.038 2.272 1.792
74 HB3 GLN 12 HB3 GLN 12 11.419 3.495 0.551
75 HG2 GLN 12 HG2 GLN 12 11.482 5.293 2.165
76 HG3 GLN 12 HG3 GLN 12 10.579 4.360 3.382
77 HE21 GLN 12 HE21 GLN 12 12.385 5.127 4.851
78 HE22 GLN 12 HE22 GLN 12 13.790 4.129 4.912
79 H THR 13 H THR 13 6.849 3.081 0.570
80 HA THR 13 HA THR 13 7.545 1.373 -1.772
81 HB THR 13 HB THR 13 7.154 -0.140 0.212
82 HG1 THR 13 HG1 THR 13 5.647 -1.418 -1.113
83 HG21 THR 13 HG21 THR 13 4.271 0.934 0.027
84 HG22 THR 13 HG22 THR 13 5.381 1.261 1.398
85 HG23 THR 13 HG23 THR 13 4.820 -0.404 1.074
86 H TYR 14 H TYR 14 5.596 1.127 -3.246
87 HA TYR 14 HA TYR 14 3.630 3.348 -2.957
88 HB2 TYR 14 HB2 TYR 14 5.854 3.028 -5.029
89 HB3 TYR 14 HB3 TYR 14 4.497 4.158 -5.295
90 HD1 TYR 14 HD1 TYR 14 7.555 3.367 -3.228
91 HD2 TYR 14 HD2 TYR 14 4.801 6.403 -4.489
92 HE1 TYR 14 HE1 TYR 14 8.886 5.056 -2.041
93 HE2 TYR 14 HE2 TYR 14 6.258 8.134 -3.504
94 HH TYR 14 HH TYR 14 9.209 7.393 -1.636
95 H PHE 15 H PHE 15 2.102 3.407 -4.926
96 HA PHE 15 HA PHE 15 1.245 0.599 -5.297
97 HB2 PHE 15 HB2 PHE 15 -0.040 3.278 -6.080
98 HB3 PHE 15 HB3 PHE 15 -0.811 1.719 -6.350
99 HD1 PHE 15 HD2 PHE 15 -1.195 0.103 -4.433
100 HD2 PHE 15 HD1 PHE 15 -0.171 4.226 -3.747
101 HE1 PHE 15 HE2 PHE 15 -2.214 -0.009 -2.184
102 HE2 PHE 15 HE1 PHE 15 -1.241 4.128 -1.532
103 HZ PHE 15 HZ PHE 15 -2.266 2.009 -0.736
104 H GLU 16 H GLU 16 0.219 0.121 -7.645
105 HA GLU 16 HA GLU 16 2.611 0.261 -9.402
106 HB2 GLU 16 HB2 GLU 16 1.102 -1.834 -8.595
107 HB3 GLU 16 HB3 GLU 16 0.115 -1.382 -10.005
108 HG2 GLU 16 HG2 GLU 16 2.153 -1.918 -11.471
109 HG3 GLU 16 HG3 GLU 16 3.145 -2.079 -10.006
110 H GLU 17 H GLU 17 1.630 0.195 -11.916
111 HA GLU 17 HA GLU 17 0.266 2.783 -12.199
112 HB2 GLU 17 HB2 GLU 17 1.203 2.781 -14.503
113 HB3 GLU 17 HB3 GLU 17 2.434 2.747 -13.249
114 HG2 GLU 17 HG2 GLU 17 2.700 0.338 -13.580
115 HG3 GLU 17 HG3 GLU 17 1.479 0.384 -14.851
116 H SER 18 H SER 18 -1.302 0.551 -11.593
117 HA SER 18 HA SER 18 -2.391 -0.669 -13.918
118 HB2 SER 18 HB2 SER 18 -3.147 -0.521 -11.033
119 HB3 SER 18 HB3 SER 18 -4.370 -1.048 -12.189
120 HG SER 18 HG SER 18 -2.550 -2.508 -12.933
121 H ARG 19 H ARG 19 -4.513 -0.356 -14.802
122 HA ARG 19 HA ARG 19 -5.236 2.469 -14.901
123 HB2 ARG 19 HB2 ARG 19 -5.652 0.110 -16.668
124 HB3 ARG 19 HB3 ARG 19 -6.853 1.393 -16.730
125 HG2 ARG 19 HG2 ARG 19 -5.458 2.838 -17.752
126 HG3 ARG 19 HG3 ARG 19 -4.039 2.253 -16.879
127 HD2 ARG 19 HD2 ARG 19 -3.478 0.872 -18.538
128 HD3 ARG 19 HD3 ARG 19 -5.120 0.245 -18.668
129 HE ARG 19 HE ARG 19 -5.408 1.580 -20.488
130 HH11 ARG 19 HH11 ARG 19 -2.835 2.903 -18.552
131 HH12 ARG 19 HH12 ARG 19 -2.459 4.163 -19.679
132 HH21 ARG 19 HH21 ARG 19 -4.922 3.235 -21.980
133 HH22 ARG 19 HH22 ARG 19 -3.647 4.352 -21.629
Start of MODEL 7
1 H1 GLY 1 H GLY 1 1.529 0.078 -0.136
2 HA2 GLY 1 HA3 GLY 1 1.337 0.548 -2.890
3 HA3 GLY 1 HA2 GLY 1 2.977 1.056 -2.398
4 H LEU 2 H LEU 2 2.403 -1.118 -4.244
5 HA LEU 2 HA LEU 2 3.973 -3.197 -2.730
6 HB2 LEU 2 HB2 LEU 2 1.984 -3.589 -5.039
7 HB3 LEU 2 HB3 LEU 2 2.781 -4.888 -4.114
8 HG LEU 2 HG LEU 2 0.717 -2.898 -2.939
9 HD11 LEU 2 HD11 LEU 2 -0.342 -4.325 -4.681
10 HD12 LEU 2 HD12 LEU 2 -0.915 -4.775 -3.054
11 HD13 LEU 2 HD13 LEU 2 0.295 -5.795 -3.887
12 HD21 LEU 2 HD21 LEU 2 2.245 -3.911 -1.187
13 HD22 LEU 2 HD22 LEU 2 1.838 -5.539 -1.792
14 HD23 LEU 2 HD23 LEU 2 0.581 -4.517 -1.039
15 H SER 3 H SER 3 4.801 -0.696 -4.407
16 HA SER 3 HA SER 3 6.503 -2.075 -6.369
17 HB2 SER 3 HB2 SER 3 4.161 -0.249 -7.217
18 HB3 SER 3 HB3 SER 3 5.281 -1.055 -8.346
19 HG SER 3 HG SER 3 4.386 -3.096 -7.558
20 H GLN 4 H GLN 4 7.174 0.164 -7.957
21 HA GLN 4 HA GLN 4 8.162 2.007 -5.883
22 HB2 GLN 4 HB2 GLN 4 10.087 2.385 -7.456
23 HB3 GLN 4 HB3 GLN 4 9.994 0.767 -6.775
24 HG2 GLN 4 HG2 GLN 4 9.281 -0.170 -8.787
25 HG3 GLN 4 HG3 GLN 4 8.820 1.394 -9.456
26 HE21 GLN 4 HE21 GLN 4 10.258 -0.029 -11.082
27 HE22 GLN 4 HE22 GLN 4 11.905 0.487 -11.147
28 H GLY 5 H GLY 5 5.578 2.587 -7.090
29 HA2 GLY 5 HA3 GLY 5 6.026 4.411 -9.318
30 HA3 GLY 5 HA2 GLY 5 4.542 4.205 -8.395
31 H VAL 6 H VAL 6 4.140 6.395 -7.923
32 HA VAL 6 HA VAL 6 6.299 7.992 -6.707
33 HB VAL 6 HB VAL 6 5.421 9.952 -7.695
34 HG11 VAL 6 HG11 VAL 6 5.032 7.959 -9.901
35 HG12 VAL 6 HG12 VAL 6 5.766 9.562 -9.969
36 HG13 VAL 6 HG13 VAL 6 6.620 8.233 -9.184
37 HG21 VAL 6 HG21 VAL 6 3.307 9.686 -9.191
38 HG22 VAL 6 HG22 VAL 6 2.988 8.282 -8.173
39 HG23 VAL 6 HG23 VAL 6 3.124 9.884 -7.448
40 H GLU 7 H GLU 7 2.992 6.701 -6.088
41 HA GLU 7 HA GLU 7 2.520 8.860 -4.107
42 HB2 GLU 7 HB2 GLU 7 0.249 7.813 -3.890
43 HB3 GLU 7 HB3 GLU 7 0.596 8.728 -5.383
44 HG2 GLU 7 HG2 GLU 7 0.795 6.714 -6.727
45 HG3 GLU 7 HG3 GLU 7 0.711 5.668 -5.279
46 HA PRO 8 HA PRO 8 4.097 5.421 -1.546
47 HB2 PRO 8 HB2 PRO 8 4.373 6.644 0.907
48 HB3 PRO 8 HB3 PRO 8 5.410 7.088 -0.478
49 HG2 PRO 8 HG2 PRO 8 2.831 8.480 0.381
50 HG3 PRO 8 HG3 PRO 8 4.434 9.251 0.153
51 HD2 PRO 8 HD2 PRO 8 2.542 9.289 -1.838
52 HD3 PRO 8 HD3 PRO 8 4.278 9.003 -2.282
53 H ASP 9 H ASP 9 3.316 4.121 0.444
54 HA ASP 9 HA ASP 9 0.351 4.496 0.810
55 HB2 ASP 9 HB2 ASP 9 1.749 1.884 1.485
56 HB3 ASP 9 HB3 ASP 9 0.056 2.186 1.058
57 H ILE 10 H ILE 10 3.281 3.170 2.637
58 HA ILE 10 HA ILE 10 2.376 4.708 5.003
59 HB ILE 10 HB ILE 10 2.729 1.654 5.105
60 HG12 ILE 10 HG12 ILE 10 0.136 3.295 5.273
61 HG13 ILE 10 HG13 ILE 10 0.627 2.202 3.946
62 HG21 ILE 10 HG21 ILE 10 2.117 1.882 7.487
63 HG22 ILE 10 HG22 ILE 10 3.467 2.977 7.165
64 HG23 ILE 10 HG23 ILE 10 1.809 3.632 7.280
65 HD11 ILE 10 HD11 ILE 10 -0.073 1.341 6.811
66 HD12 ILE 10 HD12 ILE 10 -0.959 0.996 5.311
67 HD13 ILE 10 HD13 ILE 10 0.647 0.261 5.575
68 H GLY 11 H GLY 11 4.795 2.010 4.119
69 HA2 GLY 11 HA3 GLY 11 6.754 3.464 5.811
70 HA3 GLY 11 HA2 GLY 11 6.906 1.838 5.142
71 H GLN 12 H GLN 12 8.156 1.651 3.163
72 HA GLN 12 HA GLN 12 8.610 4.211 1.640
73 HB2 GLN 12 HB2 GLN 12 10.452 3.496 3.309
74 HB3 GLN 12 HB3 GLN 12 10.716 2.063 2.283
75 HG2 GLN 12 HG2 GLN 12 11.249 3.630 0.338
76 HG3 GLN 12 HG3 GLN 12 10.922 5.028 1.390
77 HE21 GLN 12 HE21 GLN 12 13.113 2.105 1.077
78 HE22 GLN 12 HE22 GLN 12 14.407 2.822 1.964
79 H THR 13 H THR 13 6.541 2.879 0.829
80 HA THR 13 HA THR 13 7.518 1.319 -1.526
81 HB THR 13 HB THR 13 6.833 -0.360 0.204
82 HG1 THR 13 HG1 THR 13 6.268 -0.806 -2.051
83 HG21 THR 13 HG21 THR 13 4.432 -0.493 0.922
84 HG22 THR 13 HG22 THR 13 4.110 1.088 0.161
85 HG23 THR 13 HG23 THR 13 5.222 0.972 1.555
86 H TYR 14 H TYR 14 5.792 1.316 -3.313
87 HA TYR 14 HA TYR 14 3.885 3.597 -2.990
88 HB2 TYR 14 HB2 TYR 14 6.149 3.295 -5.033
89 HB3 TYR 14 HB3 TYR 14 4.877 4.544 -5.149
90 HD1 TYR 14 HD2 TYR 14 7.797 3.227 -3.155
91 HD2 TYR 14 HD1 TYR 14 5.233 6.597 -3.869
92 HE1 TYR 14 HE2 TYR 14 9.159 4.582 -1.619
93 HE2 TYR 14 HE1 TYR 14 6.757 8.029 -2.556
94 HH TYR 14 HH TYR 14 9.512 6.752 -0.676
95 H PHE 15 H PHE 15 2.055 3.536 -4.505
96 HA PHE 15 HA PHE 15 1.539 0.823 -5.425
97 HB2 PHE 15 HB2 PHE 15 -0.050 3.407 -5.897
98 HB3 PHE 15 HB3 PHE 15 -0.573 1.807 -6.448
99 HD1 PHE 15 HD1 PHE 15 -0.922 -0.081 -4.813
100 HD2 PHE 15 HD2 PHE 15 -0.443 4.002 -3.522
101 HE1 PHE 15 HE1 PHE 15 -1.807 -0.681 -2.582
102 HE2 PHE 15 HE2 PHE 15 -1.386 3.407 -1.313
103 HZ PHE 15 HZ PHE 15 -2.028 1.059 -0.821
104 H GLU 16 H GLU 16 0.931 0.288 -7.743
105 HA GLU 16 HA GLU 16 3.030 1.469 -9.485
106 HB2 GLU 16 HB2 GLU 16 2.543 -1.061 -9.046
107 HB3 GLU 16 HB3 GLU 16 1.165 -0.891 -10.146
108 HG2 GLU 16 HG2 GLU 16 2.708 -0.440 -12.033
109 HG3 GLU 16 HG3 GLU 16 4.078 -0.158 -10.916
110 H GLU 17 H GLU 17 2.226 1.806 -11.875
111 HA GLU 17 HA GLU 17 -0.304 3.293 -11.787
112 HB2 GLU 17 HB2 GLU 17 0.498 4.333 -13.904
113 HB3 GLU 17 HB3 GLU 17 1.550 4.632 -12.528
114 HG2 GLU 17 HG2 GLU 17 3.169 3.108 -13.302
115 HG3 GLU 17 HG3 GLU 17 2.064 2.424 -14.492
116 H SER 18 H SER 18 -0.453 0.498 -11.883
117 HA SER 18 HA SER 18 -0.748 -0.473 -14.538
118 HB2 SER 18 HB2 SER 18 -0.692 -1.619 -12.025
119 HB3 SER 18 HB3 SER 18 -2.370 -1.839 -12.520
120 HG SER 18 HG SER 18 -1.496 -2.729 -14.508
121 H ARG 19 H ARG 19 -2.869 -1.349 -15.351
122 HA ARG 19 HA ARG 19 -4.817 0.797 -15.303
123 HB2 ARG 19 HB2 ARG 19 -3.957 -0.601 -17.357
124 HB3 ARG 19 HB3 ARG 19 -5.198 -1.737 -16.847
125 HG2 ARG 19 HG2 ARG 19 -6.821 0.204 -16.940
126 HG3 ARG 19 HG3 ARG 19 -5.544 1.098 -17.767
127 HD2 ARG 19 HD2 ARG 19 -5.644 -1.335 -19.093
128 HD3 ARG 19 HD3 ARG 19 -7.334 -0.947 -18.776
129 HE ARG 19 HE ARG 19 -5.611 0.329 -20.649
130 HH11 ARG 19 HH11 ARG 19 -8.279 0.886 -18.483
131 HH12 ARG 19 HH12 ARG 19 -8.899 2.230 -19.384
132 HH21 ARG 19 HH21 ARG 19 -6.417 2.097 -21.843
133 HH22 ARG 19 HH22 ARG 19 -7.840 2.917 -21.296
Start of MODEL 8
1 H1 GLY 1 H GLY 1 1.643 0.069 -0.000
2 HA2 GLY 1 HA3 GLY 1 1.310 0.403 -2.764
3 HA3 GLY 1 HA2 GLY 1 2.960 0.971 -2.372
4 H LEU 2 H LEU 2 2.314 -1.306 -4.096
5 HA LEU 2 HA LEU 2 4.015 -3.285 -2.589
6 HB2 LEU 2 HB2 LEU 2 1.927 -3.804 -4.786
7 HB3 LEU 2 HB3 LEU 2 2.809 -5.047 -3.864
8 HG LEU 2 HG LEU 2 0.745 -3.080 -2.653
9 HD11 LEU 2 HD11 LEU 2 0.384 -6.029 -3.457
10 HD12 LEU 2 HD12 LEU 2 -0.345 -4.617 -4.278
11 HD13 LEU 2 HD13 LEU 2 -0.821 -5.017 -2.608
12 HD21 LEU 2 HD21 LEU 2 0.764 -4.638 -0.688
13 HD22 LEU 2 HD22 LEU 2 2.383 -3.952 -0.937
14 HD23 LEU 2 HD23 LEU 2 2.038 -5.623 -1.462
15 H SER 3 H SER 3 4.744 -0.830 -4.344
16 HA SER 3 HA SER 3 6.367 -2.237 -6.353
17 HB2 SER 3 HB2 SER 3 3.969 -0.437 -7.137
18 HB3 SER 3 HB3 SER 3 5.060 -1.243 -8.294
19 HG SER 3 HG SER 3 4.221 -3.279 -7.451
20 H GLN 4 H GLN 4 7.006 -0.075 -7.997
21 HA GLN 4 HA GLN 4 8.036 1.862 -6.032
22 HB2 GLN 4 HB2 GLN 4 9.883 2.204 -7.739
23 HB3 GLN 4 HB3 GLN 4 9.878 0.658 -6.900
24 HG2 GLN 4 HG2 GLN 4 9.066 -0.483 -8.783
25 HG3 GLN 4 HG3 GLN 4 8.605 1.014 -9.591
26 HE21 GLN 4 HE21 GLN 4 11.555 -0.241 -8.062
27 HE22 GLN 4 HE22 GLN 4 12.600 0.118 -9.390
28 H GLY 5 H GLY 5 5.404 2.358 -7.190
29 HA2 GLY 5 HA3 GLY 5 5.767 4.103 -9.493
30 HA3 GLY 5 HA2 GLY 5 4.313 3.916 -8.522
31 H VAL 6 H VAL 6 3.892 6.113 -8.113
32 HA VAL 6 HA VAL 6 6.066 7.785 -7.030
33 HB VAL 6 HB VAL 6 5.131 9.693 -8.067
34 HG11 VAL 6 HG11 VAL 6 6.340 8.013 -9.533
35 HG12 VAL 6 HG12 VAL 6 4.749 7.548 -10.140
36 HG13 VAL 6 HG13 VAL 6 5.333 9.198 -10.364
37 HG21 VAL 6 HG21 VAL 6 2.982 9.413 -9.453
38 HG22 VAL 6 HG22 VAL 6 2.714 7.965 -8.482
39 HG23 VAL 6 HG23 VAL 6 2.832 9.542 -7.700
40 H GLU 7 H GLU 7 2.774 6.498 -6.280
41 HA GLU 7 HA GLU 7 2.345 8.725 -4.371
42 HB2 GLU 7 HB2 GLU 7 0.091 7.704 -4.042
43 HB3 GLU 7 HB3 GLU 7 0.396 8.492 -5.614
44 HG2 GLU 7 HG2 GLU 7 0.542 6.361 -6.790
45 HG3 GLU 7 HG3 GLU 7 0.530 5.446 -5.262
46 HA PRO 8 HA PRO 8 4.067 5.441 -1.717
47 HB2 PRO 8 HB2 PRO 8 4.392 6.768 0.672
48 HB3 PRO 8 HB3 PRO 8 5.358 7.195 -0.771
49 HG2 PRO 8 HG2 PRO 8 2.759 8.524 0.131
50 HG3 PRO 8 HG3 PRO 8 4.323 9.345 -0.170
51 HD2 PRO 8 HD2 PRO 8 2.383 9.245 -2.112
52 HD3 PRO 8 HD3 PRO 8 4.115 8.997 -2.590
53 H ASP 9 H ASP 9 3.388 4.198 0.351
54 HA ASP 9 HA ASP 9 0.425 4.498 0.788
55 HB2 ASP 9 HB2 ASP 9 1.924 1.958 1.530
56 HB3 ASP 9 HB3 ASP 9 0.207 2.198 1.164
57 H ILE 10 H ILE 10 3.431 3.331 2.594
58 HA ILE 10 HA ILE 10 2.555 4.946 4.919
59 HB ILE 10 HB ILE 10 2.873 1.890 5.062
60 HG12 ILE 10 HG12 ILE 10 0.354 3.618 5.421
61 HG13 ILE 10 HG13 ILE 10 0.710 2.513 4.059
62 HG21 ILE 10 HG21 ILE 10 2.415 2.152 7.490
63 HG22 ILE 10 HG22 ILE 10 3.804 3.155 7.061
64 HG23 ILE 10 HG23 ILE 10 2.203 3.917 7.283
65 HD11 ILE 10 HD11 ILE 10 0.187 1.658 6.963
66 HD12 ILE 10 HD12 ILE 10 -0.822 1.365 5.532
67 HD13 ILE 10 HD13 ILE 10 0.769 0.564 5.666
68 H GLY 11 H GLY 11 4.968 2.220 4.117
69 HA2 GLY 11 HA3 GLY 11 6.947 3.759 5.702
70 HA3 GLY 11 HA2 GLY 11 7.104 2.111 5.093
71 H GLN 12 H GLN 12 8.244 1.833 3.058
72 HA GLN 12 HA GLN 12 8.726 4.343 1.464
73 HB2 GLN 12 HB2 GLN 12 10.596 3.680 3.105
74 HB3 GLN 12 HB3 GLN 12 10.790 2.177 2.162
75 HG2 GLN 12 HG2 GLN 12 11.316 3.605 0.113
76 HG3 GLN 12 HG3 GLN 12 11.071 5.074 1.099
77 HE21 GLN 12 HE21 GLN 12 13.415 5.469 0.258
78 HE22 GLN 12 HE22 GLN 12 14.686 4.817 1.225
79 H THR 13 H THR 13 6.637 3.050 0.675
80 HA THR 13 HA THR 13 7.579 1.438 -1.651
81 HB THR 13 HB THR 13 7.006 -0.236 0.089
82 HG1 THR 13 HG1 THR 13 5.420 -1.287 -1.321
83 HG21 THR 13 HG21 THR 13 5.403 1.086 1.489
84 HG22 THR 13 HG22 THR 13 4.635 -0.421 0.931
85 HG23 THR 13 HG23 THR 13 4.232 1.127 0.137
86 H TYR 14 H TYR 14 5.727 1.245 -3.325
87 HA TYR 14 HA TYR 14 3.822 3.530 -3.067
88 HB2 TYR 14 HB2 TYR 14 6.000 3.162 -5.188
89 HB3 TYR 14 HB3 TYR 14 4.721 4.403 -5.296
90 HD1 TYR 14 HD2 TYR 14 7.761 3.186 -3.438
91 HD2 TYR 14 HD1 TYR 14 5.093 6.493 -4.062
92 HE1 TYR 14 HE2 TYR 14 9.234 4.638 -2.087
93 HE2 TYR 14 HE1 TYR 14 6.668 7.993 -2.916
94 HH TYR 14 HH TYR 14 8.739 8.155 -1.728
95 H PHE 15 H PHE 15 1.979 3.405 -4.583
96 HA PHE 15 HA PHE 15 1.451 0.628 -5.313
97 HB2 PHE 15 HB2 PHE 15 -0.180 3.174 -5.854
98 HB3 PHE 15 HB3 PHE 15 -0.704 1.550 -6.318
99 HD1 PHE 15 HD2 PHE 15 -1.029 -0.260 -4.613
100 HD2 PHE 15 HD1 PHE 15 -0.419 3.847 -3.465
101 HE1 PHE 15 HE2 PHE 15 -1.845 -0.773 -2.335
102 HE2 PHE 15 HE1 PHE 15 -1.298 3.342 -1.210
103 HZ PHE 15 HZ PHE 15 -1.967 1.024 -0.622
104 H GLU 16 H GLU 16 0.722 -0.009 -7.586
105 HA GLU 16 HA GLU 16 2.814 0.978 -9.441
106 HB2 GLU 16 HB2 GLU 16 2.157 -1.489 -8.892
107 HB3 GLU 16 HB3 GLU 16 0.763 -1.261 -9.968
108 HG2 GLU 16 HG2 GLU 16 2.288 -0.960 -11.901
109 HG3 GLU 16 HG3 GLU 16 3.709 -0.809 -10.824
110 H GLU 17 H GLU 17 1.945 1.295 -11.827
111 HA GLU 17 HA GLU 17 -0.481 2.947 -11.710
112 HB2 GLU 17 HB2 GLU 17 0.295 3.877 -13.872
113 HB3 GLU 17 HB3 GLU 17 1.447 4.124 -12.567
114 HG2 GLU 17 HG2 GLU 17 2.775 2.244 -13.380
115 HG3 GLU 17 HG3 GLU 17 1.620 1.995 -14.688
116 H SER 18 H SER 18 -0.822 0.179 -11.674
117 HA SER 18 HA SER 18 -1.254 -0.896 -14.269
118 HB2 SER 18 HB2 SER 18 -0.916 -2.357 -12.342
119 HB3 SER 18 HB3 SER 18 -2.386 -1.737 -11.589
120 HG SER 18 HG SER 18 -3.017 -3.571 -12.582
121 H ARG 19 H ARG 19 -3.237 -1.320 -15.326
122 HA ARG 19 HA ARG 19 -5.232 0.758 -14.870
123 HB2 ARG 19 HB2 ARG 19 -4.219 -0.665 -17.169
124 HB3 ARG 19 HB3 ARG 19 -5.972 -0.782 -17.099
125 HG2 ARG 19 HG2 ARG 19 -6.275 1.472 -17.385
126 HG3 ARG 19 HG3 ARG 19 -4.690 1.878 -16.722
127 HD2 ARG 19 HD2 ARG 19 -3.875 1.997 -18.783
128 HD3 ARG 19 HD3 ARG 19 -4.259 0.293 -19.021
129 HE ARG 19 HE ARG 19 -6.053 0.912 -20.302
130 HH11 ARG 19 HH11 ARG 19 -4.935 3.668 -18.492
131 HH12 ARG 19 HH12 ARG 19 -5.966 4.791 -19.316
132 HH21 ARG 19 HH21 ARG 19 -7.414 2.381 -21.394
133 HH22 ARG 19 HH22 ARG 19 -7.376 4.057 -20.965
Start of MODEL 9
1 H1 GLY 1 H GLY 1 1.690 0.118 -0.168
2 HA2 GLY 1 HA3 GLY 1 1.361 0.405 -2.921
3 HA3 GLY 1 HA2 GLY 1 3.001 1.010 -2.558
4 H LEU 2 H LEU 2 2.531 -1.235 -4.254
5 HA LEU 2 HA LEU 2 4.228 -3.168 -2.684
6 HB2 LEU 2 HB2 LEU 2 2.171 -3.746 -4.896
7 HB3 LEU 2 HB3 LEU 2 3.096 -4.978 -4.003
8 HG LEU 2 HG LEU 2 1.000 -3.098 -2.713
9 HD11 LEU 2 HD11 LEU 2 -0.100 -4.564 -4.392
10 HD12 LEU 2 HD12 LEU 2 -0.540 -5.060 -2.738
11 HD13 LEU 2 HD13 LEU 2 0.666 -6.005 -3.661
12 HD21 LEU 2 HD21 LEU 2 2.329 -5.682 -1.656
13 HD22 LEU 2 HD22 LEU 2 1.064 -4.740 -0.819
14 HD23 LEU 2 HD23 LEU 2 2.677 -4.036 -1.061
15 H SER 3 H SER 3 4.843 -0.711 -4.575
16 HA SER 3 HA SER 3 6.617 -2.161 -6.412
17 HB2 SER 3 HB2 SER 3 4.315 -0.430 -7.539
18 HB3 SER 3 HB3 SER 3 5.476 -1.423 -8.461
19 HG SER 3 HG SER 3 3.387 -2.501 -6.886
20 H GLN 4 H GLN 4 7.174 0.029 -8.155
21 HA GLN 4 HA GLN 4 8.158 1.988 -6.188
22 HB2 GLN 4 HB2 GLN 4 10.026 2.355 -7.838
23 HB3 GLN 4 HB3 GLN 4 10.009 0.775 -7.067
24 HG2 GLN 4 HG2 GLN 4 8.527 0.874 -9.580
25 HG3 GLN 4 HG3 GLN 4 10.245 1.235 -9.745
26 HE21 GLN 4 HE21 GLN 4 11.560 -0.426 -9.961
27 HE22 GLN 4 HE22 GLN 4 11.211 -2.062 -9.531
28 H GLY 5 H GLY 5 5.530 2.435 -7.352
29 HA2 GLY 5 HA3 GLY 5 5.859 4.178 -9.660
30 HA3 GLY 5 HA2 GLY 5 4.408 3.966 -8.688
31 H VAL 6 H VAL 6 3.954 6.163 -8.307
32 HA VAL 6 HA VAL 6 6.091 7.874 -7.213
33 HB VAL 6 HB VAL 6 5.130 9.763 -8.262
34 HG11 VAL 6 HG11 VAL 6 5.543 9.304 -10.476
35 HG12 VAL 6 HG12 VAL 6 6.293 7.908 -9.699
36 HG13 VAL 6 HG13 VAL 6 4.693 7.760 -10.427
37 HG21 VAL 6 HG21 VAL 6 2.752 7.991 -8.733
38 HG22 VAL 6 HG22 VAL 6 2.825 9.535 -7.883
39 HG23 VAL 6 HG23 VAL 6 2.996 9.485 -9.638
40 H GLU 7 H GLU 7 2.844 6.512 -6.464
41 HA GLU 7 HA GLU 7 2.335 8.733 -4.569
42 HB2 GLU 7 HB2 GLU 7 0.111 7.618 -4.256
43 HB3 GLU 7 HB3 GLU 7 0.395 8.446 -5.809
44 HG2 GLU 7 HG2 GLU 7 0.636 6.359 -7.032
45 HG3 GLU 7 HG3 GLU 7 0.647 5.402 -5.529
46 HA PRO 8 HA PRO 8 4.123 5.474 -1.903
47 HB2 PRO 8 HB2 PRO 8 4.406 6.816 0.492
48 HB3 PRO 8 HB3 PRO 8 5.399 7.230 -0.933
49 HG2 PRO 8 HG2 PRO 8 2.790 8.573 -0.085
50 HG3 PRO 8 HG3 PRO 8 4.360 9.386 -0.380
51 HD2 PRO 8 HD2 PRO 8 2.435 9.270 -2.333
52 HD3 PRO 8 HD3 PRO 8 4.168 9.014 -2.799
53 H ASP 9 H ASP 9 3.433 4.229 0.154
54 HA ASP 9 HA ASP 9 0.477 4.553 0.624
55 HB2 ASP 9 HB2 ASP 9 1.949 1.999 1.354
56 HB3 ASP 9 HB3 ASP 9 0.237 2.254 0.980
57 H ILE 10 H ILE 10 3.503 3.358 2.375
58 HA ILE 10 HA ILE 10 2.681 4.992 4.706
59 HB ILE 10 HB ILE 10 3.106 1.956 4.939
60 HG12 ILE 10 HG12 ILE 10 0.483 3.543 5.120
61 HG13 ILE 10 HG13 ILE 10 0.955 2.398 3.831
62 HG21 ILE 10 HG21 ILE 10 3.885 3.406 6.899
63 HG22 ILE 10 HG22 ILE 10 2.214 4.020 7.045
64 HG23 ILE 10 HG23 ILE 10 2.579 2.292 7.327
65 HD11 ILE 10 HD11 ILE 10 1.077 0.537 5.545
66 HD12 ILE 10 HD12 ILE 10 0.378 1.660 6.755
67 HD13 ILE 10 HD13 ILE 10 -0.554 1.225 5.306
68 H GLY 11 H GLY 11 5.112 2.307 3.844
69 HA2 GLY 11 HA3 GLY 11 7.208 4.013 5.118
70 HA3 GLY 11 HA2 GLY 11 7.318 2.299 4.682
71 H GLN 12 H GLN 12 9.076 2.347 3.082
72 HA GLN 12 HA GLN 12 8.889 4.468 0.979
73 HB2 GLN 12 HB2 GLN 12 11.146 2.441 1.445
74 HB3 GLN 12 HB3 GLN 12 11.094 3.803 0.299
75 HG2 GLN 12 HG2 GLN 12 12.391 4.658 2.096
76 HG3 GLN 12 HG3 GLN 12 10.788 5.341 2.427
77 HE21 GLN 12 HE21 GLN 12 9.807 4.682 4.542
78 HE22 GLN 12 HE22 GLN 12 10.588 3.542 5.573
79 H THR 13 H THR 13 6.733 3.173 0.439
80 HA THR 13 HA THR 13 7.524 1.377 -1.796
81 HB THR 13 HB THR 13 6.948 -0.176 0.091
82 HG1 THR 13 HG1 THR 13 6.277 -0.768 -2.111
83 HG21 THR 13 HG21 THR 13 4.601 -0.256 0.945
84 HG22 THR 13 HG22 THR 13 4.210 1.246 0.066
85 HG23 THR 13 HG23 THR 13 5.396 1.276 1.403
86 H TYR 14 H TYR 14 5.812 1.319 -3.522
87 HA TYR 14 HA TYR 14 3.863 3.565 -3.250
88 HB2 TYR 14 HB2 TYR 14 6.084 3.235 -5.332
89 HB3 TYR 14 HB3 TYR 14 4.792 4.459 -5.454
90 HD1 TYR 14 HD2 TYR 14 7.771 3.237 -3.483
91 HD2 TYR 14 HD1 TYR 14 5.176 6.566 -4.272
92 HE1 TYR 14 HE2 TYR 14 9.169 4.674 -2.043
93 HE2 TYR 14 HE1 TYR 14 6.709 8.056 -3.060
94 HH TYR 14 HH TYR 14 8.602 8.172 -1.601
95 H PHE 15 H PHE 15 1.984 3.357 -4.668
96 HA PHE 15 HA PHE 15 1.543 0.618 -5.501
97 HB2 PHE 15 HB2 PHE 15 -0.123 3.138 -6.066
98 HB3 PHE 15 HB3 PHE 15 -0.612 1.503 -6.531
99 HD1 PHE 15 HD1 PHE 15 -0.912 -0.308 -4.812
100 HD2 PHE 15 HD2 PHE 15 -0.447 3.827 -3.698
101 HE1 PHE 15 HE1 PHE 15 -1.722 -0.829 -2.534
102 HE2 PHE 15 HE2 PHE 15 -1.311 3.309 -1.439
103 HZ PHE 15 HZ PHE 15 -1.904 0.975 -0.834
104 H GLU 16 H GLU 16 0.889 -0.005 -7.798
105 HA GLU 16 HA GLU 16 2.952 1.144 -9.617
106 HB2 GLU 16 HB2 GLU 16 2.370 -1.432 -9.008
107 HB3 GLU 16 HB3 GLU 16 1.207 -1.266 -10.329
108 HG2 GLU 16 HG2 GLU 16 3.084 -0.937 -11.934
109 HG3 GLU 16 HG3 GLU 16 4.223 -0.598 -10.604
110 H GLU 17 H GLU 17 1.925 1.003 -12.067
111 HA GLU 17 HA GLU 17 -0.449 2.731 -11.974
112 HB2 GLU 17 HB2 GLU 17 0.177 3.422 -14.247
113 HB3 GLU 17 HB3 GLU 17 1.480 3.706 -13.101
114 HG2 GLU 17 HG2 GLU 17 2.679 1.794 -13.889
115 HG3 GLU 17 HG3 GLU 17 1.326 1.308 -14.909
116 H SER 18 H SER 18 -0.837 -0.006 -11.583
117 HA SER 18 HA SER 18 -1.488 -1.364 -13.994
118 HB2 SER 18 HB2 SER 18 -1.642 -1.889 -11.134
119 HB3 SER 18 HB3 SER 18 -3.048 -2.514 -11.995
120 HG SER 18 HG SER 18 -1.499 -3.510 -13.457
121 H ARG 19 H ARG 19 -3.401 -1.573 -15.069
122 HA ARG 19 HA ARG 19 -5.457 0.401 -14.414
123 HB2 ARG 19 HB2 ARG 19 -4.294 -0.099 -16.777
124 HB3 ARG 19 HB3 ARG 19 -5.634 -1.232 -16.888
125 HG2 ARG 19 HG2 ARG 19 -7.234 0.474 -16.780
126 HG3 ARG 19 HG3 ARG 19 -6.061 1.651 -16.184
127 HD2 ARG 19 HD2 ARG 19 -5.479 0.427 -18.809
128 HD3 ARG 19 HD3 ARG 19 -6.864 1.517 -18.745
129 HE ARG 19 HE ARG 19 -4.089 2.228 -18.552
130 HH11 ARG 19 HH11 ARG 19 -7.341 3.162 -17.730
131 HH12 ARG 19 HH12 ARG 19 -6.963 4.848 -17.602
132 HH21 ARG 19 HH21 ARG 19 -3.580 4.446 -18.386
133 HH22 ARG 19 HH22 ARG 19 -4.824 5.577 -17.976
Start of MODEL 10
1 H1 GLY 1 H GLY 1 1.492 0.026 -0.227
2 HA2 GLY 1 HA3 GLY 1 1.316 0.551 -2.968
3 HA3 GLY 1 HA2 GLY 1 2.954 1.048 -2.460
4 H LEU 2 H LEU 2 2.408 -1.066 -4.361
5 HA LEU 2 HA LEU 2 3.965 -3.186 -2.886
6 HB2 LEU 2 HB2 LEU 2 1.993 -3.495 -5.228
7 HB3 LEU 2 HB3 LEU 2 2.802 -4.829 -4.369
8 HG LEU 2 HG LEU 2 0.731 -2.918 -3.082
9 HD11 LEU 2 HD11 LEU 2 -0.335 -4.226 -4.904
10 HD12 LEU 2 HD12 LEU 2 -0.899 -4.788 -3.309
11 HD13 LEU 2 HD13 LEU 2 0.309 -5.746 -4.216
12 HD21 LEU 2 HD21 LEU 2 1.866 -5.621 -2.106
13 HD22 LEU 2 HD22 LEU 2 0.601 -4.661 -1.288
14 HD23 LEU 2 HD23 LEU 2 2.258 -4.029 -1.400
15 H SER 3 H SER 3 4.774 -0.613 -4.527
16 HA SER 3 HA SER 3 6.537 -1.979 -6.431
17 HB2 SER 3 HB2 SER 3 4.398 -0.016 -7.496
18 HB3 SER 3 HB3 SER 3 5.504 -1.050 -8.439
19 HG SER 3 HG SER 3 3.263 -2.012 -6.991
20 H GLN 4 H GLN 4 7.270 0.299 -7.967
21 HA GLN 4 HA GLN 4 8.233 2.077 -5.827
22 HB2 GLN 4 HB2 GLN 4 10.176 2.497 -7.379
23 HB3 GLN 4 HB3 GLN 4 10.081 0.872 -6.714
24 HG2 GLN 4 HG2 GLN 4 9.899 -0.052 -8.725
25 HG3 GLN 4 HG3 GLN 4 8.681 1.113 -9.242
26 HE21 GLN 4 HE21 GLN 4 9.291 2.073 -11.034
27 HE22 GLN 4 HE22 GLN 4 10.886 2.620 -11.409
28 H GLY 5 H GLY 5 5.671 2.697 -7.061
29 HA2 GLY 5 HA3 GLY 5 6.152 4.588 -9.219
30 HA3 GLY 5 HA2 GLY 5 4.658 4.360 -8.323
31 H VAL 6 H VAL 6 4.257 6.539 -7.799
32 HA VAL 6 HA VAL 6 6.403 8.091 -6.502
33 HB VAL 6 HB VAL 6 5.548 10.082 -7.447
34 HG11 VAL 6 HG11 VAL 6 6.035 9.768 -9.672
35 HG12 VAL 6 HG12 VAL 6 6.707 8.294 -8.970
36 HG13 VAL 6 HG13 VAL 6 5.134 8.255 -9.768
37 HG21 VAL 6 HG21 VAL 6 3.467 10.011 -8.899
38 HG22 VAL 6 HG22 VAL 6 3.138 8.436 -8.177
39 HG23 VAL 6 HG23 VAL 6 3.215 9.874 -7.159
40 H GLU 7 H GLU 7 3.077 6.805 -5.985
41 HA GLU 7 HA GLU 7 2.572 8.895 -3.952
42 HB2 GLU 7 HB2 GLU 7 0.311 7.848 -3.783
43 HB3 GLU 7 HB3 GLU 7 0.663 8.766 -5.268
44 HG2 GLU 7 HG2 GLU 7 0.890 6.764 -6.617
45 HG3 GLU 7 HG3 GLU 7 0.799 5.703 -5.188
46 HA PRO 8 HA PRO 8 4.123 5.393 -1.453
47 HB2 PRO 8 HB2 PRO 8 4.369 6.555 1.032
48 HB3 PRO 8 HB3 PRO 8 5.417 7.045 -0.330
49 HG2 PRO 8 HG2 PRO 8 2.815 8.393 0.535
50 HG3 PRO 8 HG3 PRO 8 4.414 9.182 0.356
51 HD2 PRO 8 HD2 PRO 8 2.558 9.261 -1.668
52 HD3 PRO 8 HD3 PRO 8 4.301 9.001 -2.088
53 H ASP 9 H ASP 9 3.308 4.047 0.498
54 HA ASP 9 HA ASP 9 0.339 4.418 0.822
55 HB2 ASP 9 HB2 ASP 9 1.715 1.782 1.442
56 HB3 ASP 9 HB3 ASP 9 0.029 2.105 1.009
57 H ILE 10 H ILE 10 3.228 3.024 2.660
58 HA ILE 10 HA ILE 10 2.288 4.494 5.058
59 HB ILE 10 HB ILE 10 2.617 1.437 5.062
60 HG12 ILE 10 HG12 ILE 10 0.040 3.103 5.245
61 HG13 ILE 10 HG13 ILE 10 0.537 2.040 3.896
62 HG21 ILE 10 HG21 ILE 10 3.341 2.676 7.177
63 HG22 ILE 10 HG22 ILE 10 1.690 3.348 7.293
64 HG23 ILE 10 HG23 ILE 10 1.972 1.588 7.440
65 HD11 ILE 10 HD11 ILE 10 -1.085 0.820 5.201
66 HD12 ILE 10 HD12 ILE 10 0.506 0.056 5.478
67 HD13 ILE 10 HD13 ILE 10 -0.223 1.117 6.725
68 H GLY 11 H GLY 11 4.711 1.817 4.134
69 HA2 GLY 11 HA3 GLY 11 6.666 3.246 5.860
70 HA3 GLY 11 HA2 GLY 11 6.810 1.624 5.181
71 H GLN 12 H GLN 12 8.116 1.457 3.247
72 HA GLN 12 HA GLN 12 8.599 4.020 1.727
73 HB2 GLN 12 HB2 GLN 12 10.421 3.334 3.360
74 HB3 GLN 12 HB3 GLN 12 10.614 1.815 2.444
75 HG2 GLN 12 HG2 GLN 12 11.174 3.192 0.374
76 HG3 GLN 12 HG3 GLN 12 11.028 4.680 1.347
77 HE21 GLN 12 HE21 GLN 12 13.503 3.830 -0.043
78 HE22 GLN 12 HE22 GLN 12 14.667 3.566 1.201
79 H THR 13 H THR 13 6.510 2.801 0.844
80 HA THR 13 HA THR 13 7.483 1.251 -1.511
81 HB THR 13 HB THR 13 6.764 -0.470 0.165
82 HG1 THR 13 HG1 THR 13 6.206 -0.845 -2.107
83 HG21 THR 13 HG21 THR 13 4.362 -0.588 0.872
84 HG22 THR 13 HG22 THR 13 4.059 1.013 0.144
85 HG23 THR 13 HG23 THR 13 5.166 0.857 1.539
86 H TYR 14 H TYR 14 5.800 1.325 -3.325
87 HA TYR 14 HA TYR 14 3.900 3.601 -2.963
88 HB2 TYR 14 HB2 TYR 14 6.188 3.354 -4.980
89 HB3 TYR 14 HB3 TYR 14 4.931 4.614 -5.067
90 HD1 TYR 14 HD2 TYR 14 7.812 3.198 -3.085
91 HD2 TYR 14 HD1 TYR 14 5.291 6.616 -3.701
92 HE1 TYR 14 HE2 TYR 14 9.216 4.518 -1.543
93 HE2 TYR 14 HE1 TYR 14 6.822 7.997 -2.366
94 HH TYR 14 HH TYR 14 8.776 8.019 -0.992
95 H PHE 15 H PHE 15 2.074 3.557 -4.473
96 HA PHE 15 HA PHE 15 1.581 0.894 -5.507
97 HB2 PHE 15 HB2 PHE 15 0.011 3.492 -5.958
98 HB3 PHE 15 HB3 PHE 15 -0.500 1.904 -6.547
99 HD1 PHE 15 HD1 PHE 15 -0.914 -0.003 -4.957
100 HD2 PHE 15 HD2 PHE 15 -0.402 4.043 -3.571
101 HE1 PHE 15 HE1 PHE 15 -1.832 -0.640 -2.751
102 HE2 PHE 15 HE2 PHE 15 -1.364 3.410 -1.384
103 HZ PHE 15 HZ PHE 15 -2.040 1.061 -0.952
104 H GLU 16 H GLU 16 1.048 0.415 -7.856
105 HA GLU 16 HA GLU 16 3.174 1.661 -9.506
106 HB2 GLU 16 HB2 GLU 16 2.427 -0.963 -9.240
107 HB3 GLU 16 HB3 GLU 16 1.326 -0.528 -10.530
108 HG2 GLU 16 HG2 GLU 16 3.998 0.436 -11.330
109 HG3 GLU 16 HG3 GLU 16 4.225 -1.158 -10.629
110 H GLU 17 H GLU 17 2.239 1.784 -11.991
111 HA GLU 17 HA GLU 17 -0.139 3.501 -11.878
112 HB2 GLU 17 HB2 GLU 17 0.585 4.333 -14.079
113 HB3 GLU 17 HB3 GLU 17 1.830 4.542 -12.855
114 HG2 GLU 17 HG2 GLU 17 3.040 2.636 -13.698
115 HG3 GLU 17 HG3 GLU 17 1.757 2.298 -14.859
116 H SER 18 H SER 18 -0.541 0.736 -11.702
117 HA SER 18 HA SER 18 -1.117 -0.430 -14.229
118 HB2 SER 18 HB2 SER 18 -0.753 -1.606 -11.959
119 HB3 SER 18 HB3 SER 18 -2.451 -1.239 -11.653
120 HG SER 18 HG SER 18 -1.576 -3.302 -12.905
121 H ARG 19 H ARG 19 -3.435 -1.266 -14.652
122 HA ARG 19 HA ARG 19 -5.125 1.072 -14.867
123 HB2 ARG 19 HB2 ARG 19 -4.866 -1.492 -16.218
124 HB3 ARG 19 HB3 ARG 19 -6.544 -1.096 -15.874
125 HG2 ARG 19 HG2 ARG 19 -6.027 1.181 -16.920
126 HG3 ARG 19 HG3 ARG 19 -4.570 0.409 -17.548
127 HD2 ARG 19 HD2 ARG 19 -6.040 -1.355 -18.544
128 HD3 ARG 19 HD3 ARG 19 -7.431 -0.385 -18.061
129 HE ARG 19 HE ARG 19 -5.792 1.288 -19.523
130 HH11 ARG 19 HH11 ARG 19 -7.530 -1.681 -20.051
131 HH12 ARG 19 HH12 ARG 19 -7.785 -1.384 -21.739
132 HH21 ARG 19 HH21 ARG 19 -6.121 1.691 -21.744
133 HH22 ARG 19 HH22 ARG 19 -6.983 0.534 -22.701
Start of MODEL 11
1 H1 GLY 1 H GLY 1 1.572 0.126 0.195
2 HA2 GLY 1 HA3 GLY 1 1.164 0.380 -2.525
3 HA3 GLY 1 HA2 GLY 1 2.833 0.962 -2.271
4 H LEU 2 H LEU 2 2.231 -1.336 -3.866
5 HA LEU 2 HA LEU 2 3.897 -3.293 -2.284
6 HB2 LEU 2 HB2 LEU 2 1.845 -3.829 -4.509
7 HB3 LEU 2 HB3 LEU 2 2.697 -5.071 -3.559
8 HG LEU 2 HG LEU 2 0.650 -3.067 -2.384
9 HD11 LEU 2 HD11 LEU 2 -0.947 -4.979 -2.341
10 HD12 LEU 2 HD12 LEU 2 0.248 -6.011 -3.181
11 HD13 LEU 2 HD13 LEU 2 -0.457 -4.592 -4.009
12 HD21 LEU 2 HD21 LEU 2 1.895 -5.623 -1.171
13 HD22 LEU 2 HD22 LEU 2 0.629 -4.619 -0.410
14 HD23 LEU 2 HD23 LEU 2 2.260 -3.957 -0.648
15 H SER 3 H SER 3 4.529 -0.870 -4.302
16 HA SER 3 HA SER 3 6.328 -2.419 -6.036
17 HB2 SER 3 HB2 SER 3 3.866 -0.897 -7.120
18 HB3 SER 3 HB3 SER 3 5.095 -1.735 -8.124
19 HG SER 3 HG SER 3 3.272 -3.169 -7.728
20 H GLN 4 H GLN 4 6.800 -0.262 -7.925
21 HA GLN 4 HA GLN 4 7.908 1.684 -6.013
22 HB2 GLN 4 HB2 GLN 4 9.747 1.965 -7.692
23 HB3 GLN 4 HB3 GLN 4 9.674 0.371 -6.952
24 HG2 GLN 4 HG2 GLN 4 8.992 -0.650 -8.884
25 HG3 GLN 4 HG3 GLN 4 8.269 0.820 -9.535
26 HE21 GLN 4 HE21 GLN 4 9.403 1.997 -10.934
27 HE22 GLN 4 HE22 GLN 4 11.065 1.746 -11.333
28 H GLY 5 H GLY 5 5.263 2.199 -7.103
29 HA2 GLY 5 HA3 GLY 5 5.569 3.911 -9.435
30 HA3 GLY 5 HA2 GLY 5 4.148 3.761 -8.407
31 H VAL 6 H VAL 6 3.787 5.981 -8.048
32 HA VAL 6 HA VAL 6 6.020 7.627 -7.050
33 HB VAL 6 HB VAL 6 5.090 9.537 -8.088
34 HG11 VAL 6 HG11 VAL 6 5.941 7.382 -9.546
35 HG12 VAL 6 HG12 VAL 6 4.420 7.799 -10.338
36 HG13 VAL 6 HG13 VAL 6 5.694 9.009 -10.178
37 HG21 VAL 6 HG21 VAL 6 2.894 9.243 -9.423
38 HG22 VAL 6 HG22 VAL 6 2.630 7.852 -8.371
39 HG23 VAL 6 HG23 VAL 6 2.806 9.464 -7.676
40 H GLU 7 H GLU 7 2.723 6.416 -6.189
41 HA GLU 7 HA GLU 7 2.396 8.671 -4.299
42 HB2 GLU 7 HB2 GLU 7 0.145 7.708 -3.875
43 HB3 GLU 7 HB3 GLU 7 0.404 8.441 -5.479
44 HG2 GLU 7 HG2 GLU 7 0.466 6.272 -6.598
45 HG3 GLU 7 HG3 GLU 7 0.493 5.404 -5.045
46 HA PRO 8 HA PRO 8 4.141 5.403 -1.625
47 HB2 PRO 8 HB2 PRO 8 4.500 6.766 0.743
48 HB3 PRO 8 HB3 PRO 8 5.453 7.170 -0.713
49 HG2 PRO 8 HG2 PRO 8 2.867 8.523 0.194
50 HG3 PRO 8 HG3 PRO 8 4.433 9.332 -0.132
51 HD2 PRO 8 HD2 PRO 8 2.473 9.219 -2.052
52 HD3 PRO 8 HD3 PRO 8 4.197 8.953 -2.546
53 H ASP 9 H ASP 9 3.486 4.231 0.499
54 HA ASP 9 HA ASP 9 0.538 4.588 0.998
55 HB2 ASP 9 HB2 ASP 9 1.997 2.015 1.700
56 HB3 ASP 9 HB3 ASP 9 0.275 2.293 1.387
57 H ILE 10 H ILE 10 3.571 3.347 2.716
58 HA ILE 10 HA ILE 10 2.804 5.003 5.051
59 HB ILE 10 HB ILE 10 3.122 1.949 5.251
60 HG12 ILE 10 HG12 ILE 10 0.591 3.669 5.524
61 HG13 ILE 10 HG13 ILE 10 0.957 2.490 4.231
62 HG21 ILE 10 HG21 ILE 10 2.685 2.272 7.665
63 HG22 ILE 10 HG22 ILE 10 4.036 3.317 7.209
64 HG23 ILE 10 HG23 ILE 10 2.409 4.023 7.416
65 HD11 ILE 10 HD11 ILE 10 1.033 0.641 5.974
66 HD12 ILE 10 HD12 ILE 10 0.421 1.816 7.181
67 HD13 ILE 10 HD13 ILE 10 -0.565 1.409 5.762
68 H GLY 11 H GLY 11 5.159 2.250 4.164
69 HA2 GLY 11 HA3 GLY 11 7.241 3.817 5.600
70 HA3 GLY 11 HA2 GLY 11 7.336 2.140 5.061
71 H GLN 12 H GLN 12 8.467 1.790 3.034
72 HA GLN 12 HA GLN 12 8.845 4.222 1.288
73 HB2 GLN 12 HB2 GLN 12 10.806 3.567 2.825
74 HB3 GLN 12 HB3 GLN 12 10.896 2.026 1.934
75 HG2 GLN 12 HG2 GLN 12 11.313 3.368 -0.206
76 HG3 GLN 12 HG3 GLN 12 11.172 4.872 0.744
77 HE21 GLN 12 HE21 GLN 12 13.439 5.564 0.366
78 HE22 GLN 12 HE22 GLN 12 14.752 4.665 1.027
79 H THR 13 H THR 13 6.681 2.966 0.652
80 HA THR 13 HA THR 13 7.468 1.234 -1.644
81 HB THR 13 HB THR 13 6.906 -0.346 0.213
82 HG1 THR 13 HG1 THR 13 6.166 -0.902 -1.970
83 HG21 THR 13 HG21 THR 13 4.189 1.111 0.295
84 HG22 THR 13 HG22 THR 13 5.408 1.089 1.603
85 HG23 THR 13 HG23 THR 13 4.575 -0.415 1.134
86 H TYR 14 H TYR 14 5.656 1.174 -3.324
87 HA TYR 14 HA TYR 14 3.780 3.471 -2.989
88 HB2 TYR 14 HB2 TYR 14 5.912 3.100 -5.156
89 HB3 TYR 14 HB3 TYR 14 4.653 4.360 -5.210
90 HD1 TYR 14 HD2 TYR 14 7.676 3.023 -3.395
91 HD2 TYR 14 HD1 TYR 14 5.150 6.441 -4.004
92 HE1 TYR 14 HE2 TYR 14 9.189 4.379 -2.013
93 HE2 TYR 14 HE1 TYR 14 6.792 7.859 -2.830
94 HH TYR 14 HH TYR 14 9.747 6.585 -1.279
95 H PHE 15 H PHE 15 1.852 3.318 -4.353
96 HA PHE 15 HA PHE 15 1.302 0.580 -5.120
97 HB2 PHE 15 HB2 PHE 15 -0.327 3.135 -5.643
98 HB3 PHE 15 HB3 PHE 15 -0.872 1.505 -6.065
99 HD1 PHE 15 HD1 PHE 15 -1.225 -0.250 -4.319
100 HD2 PHE 15 HD2 PHE 15 -0.454 3.852 -3.255
101 HE1 PHE 15 HE1 PHE 15 -1.980 -0.703 -2.007
102 HE2 PHE 15 HE2 PHE 15 -1.258 3.405 -0.963
103 HZ PHE 15 HZ PHE 15 -1.976 1.117 -0.316
104 H GLU 16 H GLU 16 0.621 -0.129 -7.357
105 HA GLU 16 HA GLU 16 2.603 0.907 -9.263
106 HB2 GLU 16 HB2 GLU 16 2.024 -1.566 -8.919
107 HB3 GLU 16 HB3 GLU 16 0.453 -1.250 -9.678
108 HG2 GLU 16 HG2 GLU 16 1.999 -2.238 -11.318
109 HG3 GLU 16 HG3 GLU 16 1.713 -0.564 -11.816
110 H GLU 17 H GLU 17 1.920 1.815 -11.390
111 HA GLU 17 HA GLU 17 -0.779 2.975 -11.349
112 HB2 GLU 17 HB2 GLU 17 0.080 4.570 -13.023
113 HB3 GLU 17 HB3 GLU 17 1.000 4.616 -11.526
114 HG2 GLU 17 HG2 GLU 17 2.828 3.499 -12.488
115 HG3 GLU 17 HG3 GLU 17 1.886 3.001 -13.892
116 H SER 18 H SER 18 -0.519 0.270 -12.030
117 HA SER 18 HA SER 18 -0.369 -0.120 -14.842
118 HB2 SER 18 HB2 SER 18 -1.448 -2.340 -14.306
119 HB3 SER 18 HB3 SER 18 0.036 -2.005 -13.414
120 HG SER 18 HG SER 18 -1.071 -1.831 -11.600
121 H ARG 19 H ARG 19 -2.271 -1.106 -16.059
122 HA ARG 19 HA ARG 19 -4.524 0.731 -15.798
123 HB2 ARG 19 HB2 ARG 19 -3.305 0.338 -17.991
124 HB3 ARG 19 HB3 ARG 19 -4.036 -1.261 -18.009
125 HG2 ARG 19 HG2 ARG 19 -6.257 -0.257 -18.019
126 HG3 ARG 19 HG3 ARG 19 -5.532 1.352 -17.981
127 HD2 ARG 19 HD2 ARG 19 -4.335 0.716 -20.118
128 HD3 ARG 19 HD3 ARG 19 -5.384 -0.700 -20.177
129 HE ARG 19 HE ARG 19 -7.059 0.647 -20.933
130 HH11 ARG 19 HH11 ARG 19 -4.680 2.626 -19.338
131 HH12 ARG 19 HH12 ARG 19 -5.450 4.120 -19.759
132 HH21 ARG 19 HH21 ARG 19 -8.082 2.607 -21.494
133 HH22 ARG 19 HH22 ARG 19 -7.386 4.108 -20.985
Start of MODEL 12
1 H1 GLY 1 H GLY 1 1.681 0.005 -0.019
2 HA2 GLY 1 HA3 GLY 1 1.200 0.354 -2.733
3 HA3 GLY 1 HA2 GLY 1 2.875 0.920 -2.472
4 H LEU 2 H LEU 2 2.311 -1.237 -4.192
5 HA LEU 2 HA LEU 2 4.104 -3.208 -2.792
6 HB2 LEU 2 HB2 LEU 2 1.850 -3.752 -4.815
7 HB3 LEU 2 HB3 LEU 2 2.891 -5.005 -4.096
8 HG LEU 2 HG LEU 2 0.936 -3.250 -2.467
9 HD11 LEU 2 HD11 LEU 2 -0.337 -4.645 -4.084
10 HD12 LEU 2 HD12 LEU 2 -0.563 -5.249 -2.424
11 HD13 LEU 2 HD13 LEU 2 0.538 -6.107 -3.541
12 HD21 LEU 2 HD21 LEU 2 2.431 -5.856 -1.736
13 HD22 LEU 2 HD22 LEU 2 1.251 -5.009 -0.698
14 HD23 LEU 2 HD23 LEU 2 2.806 -4.240 -1.077
15 H SER 3 H SER 3 4.678 -0.741 -4.508
16 HA SER 3 HA SER 3 6.225 -2.062 -6.631
17 HB2 SER 3 HB2 SER 3 3.781 -0.273 -7.247
18 HB3 SER 3 HB3 SER 3 4.826 -1.022 -8.482
19 HG SER 3 HG SER 3 4.052 -3.105 -7.666
20 H GLN 4 H GLN 4 6.783 0.140 -8.229
21 HA GLN 4 HA GLN 4 7.886 2.024 -6.252
22 HB2 GLN 4 HB2 GLN 4 9.673 2.413 -8.003
23 HB3 GLN 4 HB3 GLN 4 9.685 0.831 -7.234
24 HG2 GLN 4 HG2 GLN 4 8.703 -0.191 -9.145
25 HG3 GLN 4 HG3 GLN 4 8.395 1.375 -9.893
26 HE21 GLN 4 HE21 GLN 4 10.729 -1.077 -9.236
27 HE22 GLN 4 HE22 GLN 4 11.999 -0.432 -10.213
28 H GLY 5 H GLY 5 5.216 2.534 -7.295
29 HA2 GLY 5 HA3 GLY 5 5.463 4.350 -9.551
30 HA3 GLY 5 HA2 GLY 5 4.059 4.134 -8.508
31 H VAL 6 H VAL 6 3.671 6.332 -8.060
32 HA VAL 6 HA VAL 6 5.891 7.972 -7.023
33 HB VAL 6 HB VAL 6 4.917 9.907 -7.971
34 HG11 VAL 6 HG11 VAL 6 5.884 7.942 -9.515
35 HG12 VAL 6 HG12 VAL 6 4.278 8.110 -10.228
36 HG13 VAL 6 HG13 VAL 6 5.361 9.501 -10.152
37 HG21 VAL 6 HG21 VAL 6 2.626 9.682 -7.471
38 HG22 VAL 6 HG22 VAL 6 2.716 9.735 -9.231
39 HG23 VAL 6 HG23 VAL 6 2.485 8.193 -8.406
40 H GLU 7 H GLU 7 2.625 6.677 -6.172
41 HA GLU 7 HA GLU 7 2.300 8.837 -4.169
42 HB2 GLU 7 HB2 GLU 7 0.066 7.811 -3.759
43 HB3 GLU 7 HB3 GLU 7 0.292 8.671 -5.308
44 HG2 GLU 7 HG2 GLU 7 0.372 6.600 -6.589
45 HG3 GLU 7 HG3 GLU 7 0.402 5.614 -5.099
46 HA PRO 8 HA PRO 8 4.129 5.452 -1.713
47 HB2 PRO 8 HB2 PRO 8 4.562 6.694 0.704
48 HB3 PRO 8 HB3 PRO 8 5.469 7.168 -0.762
49 HG2 PRO 8 HG2 PRO 8 2.917 8.481 0.292
50 HG3 PRO 8 HG3 PRO 8 4.475 9.301 -0.047
51 HD2 PRO 8 HD2 PRO 8 2.452 9.278 -1.905
52 HD3 PRO 8 HD3 PRO 8 4.160 9.035 -2.467
53 H ASP 9 H ASP 9 3.500 4.103 0.287
54 HA ASP 9 HA ASP 9 0.569 4.430 0.875
55 HB2 ASP 9 HB2 ASP 9 2.109 1.886 1.522
56 HB3 ASP 9 HB3 ASP 9 0.372 2.123 1.261
57 H ILE 10 H ILE 10 3.665 3.267 2.524
58 HA ILE 10 HA ILE 10 2.869 4.832 4.917
59 HB ILE 10 HB ILE 10 3.351 1.797 5.016
60 HG12 ILE 10 HG12 ILE 10 0.747 3.382 5.410
61 HG13 ILE 10 HG13 ILE 10 1.133 2.264 4.070
62 HG21 ILE 10 HG21 ILE 10 2.961 2.023 7.449
63 HG22 ILE 10 HG22 ILE 10 4.249 3.145 6.994
64 HG23 ILE 10 HG23 ILE 10 2.596 3.764 7.265
65 HD11 ILE 10 HD11 ILE 10 1.343 0.366 5.744
66 HD12 ILE 10 HD12 ILE 10 0.710 1.471 7.007
67 HD13 ILE 10 HD13 ILE 10 -0.295 1.065 5.599
68 H GLY 11 H GLY 11 5.351 2.243 3.907
69 HA2 GLY 11 HA3 GLY 11 7.405 3.986 5.217
70 HA3 GLY 11 HA2 GLY 11 7.530 2.265 4.852
71 H GLN 12 H GLN 12 8.796 1.827 2.933
72 HA GLN 12 HA GLN 12 9.090 4.106 0.971
73 HB2 GLN 12 HB2 GLN 12 11.002 1.810 1.682
74 HB3 GLN 12 HB3 GLN 12 11.283 3.081 0.455
75 HG2 GLN 12 HG2 GLN 12 11.196 4.839 2.241
76 HG3 GLN 12 HG3 GLN 12 10.904 3.583 3.479
77 HE21 GLN 12 HE21 GLN 12 13.040 5.129 4.050
78 HE22 GLN 12 HE22 GLN 12 14.515 4.312 3.681
79 H THR 13 H THR 13 6.794 2.987 0.452
80 HA THR 13 HA THR 13 7.433 1.274 -1.886
81 HB THR 13 HB THR 13 6.909 -0.357 -0.057
82 HG1 THR 13 HG1 THR 13 6.112 -0.834 -2.236
83 HG21 THR 13 HG21 THR 13 5.466 1.063 1.407
84 HG22 THR 13 HG22 THR 13 4.599 -0.420 0.919
85 HG23 THR 13 HG23 THR 13 4.216 1.132 0.130
86 H TYR 14 H TYR 14 5.632 1.321 -3.522
87 HA TYR 14 HA TYR 14 3.732 3.579 -3.063
88 HB2 TYR 14 HB2 TYR 14 5.827 3.288 -5.282
89 HB3 TYR 14 HB3 TYR 14 4.551 4.534 -5.292
90 HD1 TYR 14 HD2 TYR 14 7.616 3.200 -3.528
91 HD2 TYR 14 HD1 TYR 14 5.047 6.599 -4.072
92 HE1 TYR 14 HE2 TYR 14 9.180 4.599 -2.228
93 HE2 TYR 14 HE1 TYR 14 6.701 8.041 -2.966
94 HH TYR 14 HH TYR 14 8.842 8.136 -1.898
95 H PHE 15 H PHE 15 1.824 3.498 -4.498
96 HA PHE 15 HA PHE 15 1.279 0.750 -5.310
97 HB2 PHE 15 HB2 PHE 15 -0.370 3.309 -5.723
98 HB3 PHE 15 HB3 PHE 15 -0.914 1.692 -6.198
99 HD1 PHE 15 HD1 PHE 15 -1.196 -0.138 -4.507
100 HD2 PHE 15 HD2 PHE 15 -0.511 3.946 -3.320
101 HE1 PHE 15 HE1 PHE 15 -1.897 -0.689 -2.199
102 HE2 PHE 15 HE2 PHE 15 -1.255 3.399 -1.027
103 HZ PHE 15 HZ PHE 15 -1.903 1.073 -0.445
104 H GLU 16 H GLU 16 0.535 0.155 -7.577
105 HA GLU 16 HA GLU 16 2.479 1.337 -9.487
106 HB2 GLU 16 HB2 GLU 16 2.061 -1.192 -9.023
107 HB3 GLU 16 HB3 GLU 16 0.572 -1.037 -9.970
108 HG2 GLU 16 HG2 GLU 16 1.904 -0.499 -12.002
109 HG3 GLU 16 HG3 GLU 16 3.393 -0.306 -11.030
110 H GLU 17 H GLU 17 1.546 1.784 -11.777
111 HA GLU 17 HA GLU 17 -1.094 3.052 -11.535
112 HB2 GLU 17 HB2 GLU 17 -0.475 4.319 -13.553
113 HB3 GLU 17 HB3 GLU 17 0.680 4.556 -12.249
114 HG2 GLU 17 HG2 GLU 17 2.273 3.135 -13.289
115 HG3 GLU 17 HG3 GLU 17 1.097 2.592 -14.484
116 H SER 18 H SER 18 -0.991 0.264 -11.777
117 HA SER 18 HA SER 18 -1.278 -0.593 -14.471
118 HB2 SER 18 HB2 SER 18 -2.060 -2.688 -13.536
119 HB3 SER 18 HB3 SER 18 -0.704 -2.106 -12.569
120 HG SER 18 HG SER 18 -3.350 -2.442 -11.883
121 H ARG 19 H ARG 19 -3.254 -1.421 -15.444
122 HA ARG 19 HA ARG 19 -5.475 0.403 -14.970
123 HB2 ARG 19 HB2 ARG 19 -4.357 -0.857 -17.256
124 HB3 ARG 19 HB3 ARG 19 -6.005 -1.447 -17.086
125 HG2 ARG 19 HG2 ARG 19 -6.817 0.865 -17.022
126 HG3 ARG 19 HG3 ARG 19 -5.161 1.440 -17.228
127 HD2 ARG 19 HD2 ARG 19 -6.502 -0.417 -19.179
128 HD3 ARG 19 HD3 ARG 19 -6.588 1.339 -19.319
129 HE ARG 19 HE ARG 19 -4.339 -0.341 -19.928
130 HH11 ARG 19 HH11 ARG 19 -5.353 2.862 -19.014
131 HH12 ARG 19 HH12 ARG 19 -3.944 3.634 -19.661
132 HH21 ARG 19 HH21 ARG 19 -2.479 0.665 -20.785
133 HH22 ARG 19 HH22 ARG 19 -2.310 2.384 -20.669
Start of MODEL 13
1 H1 GLY 1 H GLY 1 1.609 0.074 0.011
2 HA2 GLY 1 HA3 GLY 1 1.227 0.320 -2.736
3 HA3 GLY 1 HA2 GLY 1 2.878 0.925 -2.421
4 H LEU 2 H LEU 2 2.367 -1.338 -4.076
5 HA LEU 2 HA LEU 2 4.161 -3.207 -2.544
6 HB2 LEU 2 HB2 LEU 2 1.985 -3.890 -4.611
7 HB3 LEU 2 HB3 LEU 2 3.024 -5.082 -3.789
8 HG LEU 2 HG LEU 2 0.963 -3.285 -2.344
9 HD11 LEU 2 HD11 LEU 2 -0.196 -4.818 -3.926
10 HD12 LEU 2 HD12 LEU 2 -0.483 -5.322 -2.241
11 HD13 LEU 2 HD13 LEU 2 0.692 -6.216 -3.250
12 HD21 LEU 2 HD21 LEU 2 1.246 -4.927 -0.459
13 HD22 LEU 2 HD22 LEU 2 2.793 -4.131 -0.816
14 HD23 LEU 2 HD23 LEU 2 2.497 -5.795 -1.391
15 H SER 3 H SER 3 4.739 -0.808 -4.362
16 HA SER 3 HA SER 3 6.376 -2.204 -6.366
17 HB2 SER 3 HB2 SER 3 3.944 -0.472 -7.161
18 HB3 SER 3 HB3 SER 3 5.035 -1.290 -8.308
19 HG SER 3 HG SER 3 4.229 -3.323 -7.403
20 H GLN 4 H GLN 4 6.935 -0.047 -8.049
21 HA GLN 4 HA GLN 4 7.966 1.918 -6.114
22 HB2 GLN 4 HB2 GLN 4 9.816 2.257 -7.775
23 HB3 GLN 4 HB3 GLN 4 9.782 0.665 -7.028
24 HG2 GLN 4 HG2 GLN 4 8.252 0.766 -9.491
25 HG3 GLN 4 HG3 GLN 4 9.943 1.208 -9.722
26 HE21 GLN 4 HE21 GLN 4 11.536 -0.314 -9.391
27 HE22 GLN 4 HE22 GLN 4 11.196 -1.999 -9.219
28 H GLY 5 H GLY 5 5.318 2.370 -7.246
29 HA2 GLY 5 HA3 GLY 5 5.622 4.103 -9.563
30 HA3 GLY 5 HA2 GLY 5 4.187 3.908 -8.564
31 H VAL 6 H VAL 6 3.758 6.111 -8.188
32 HA VAL 6 HA VAL 6 5.929 7.812 -7.148
33 HB VAL 6 HB VAL 6 4.963 9.701 -8.192
34 HG11 VAL 6 HG11 VAL 6 4.454 7.711 -10.347
35 HG12 VAL 6 HG12 VAL 6 5.361 9.224 -10.397
36 HG13 VAL 6 HG13 VAL 6 6.066 7.798 -9.636
37 HG21 VAL 6 HG21 VAL 6 2.796 9.350 -9.563
38 HG22 VAL 6 HG22 VAL 6 2.554 7.952 -8.516
39 HG23 VAL 6 HG23 VAL 6 2.676 9.567 -7.817
40 H GLU 7 H GLU 7 2.684 6.484 -6.324
41 HA GLU 7 HA GLU 7 2.236 8.721 -4.430
42 HB2 GLU 7 HB2 GLU 7 0.019 7.618 -4.048
43 HB3 GLU 7 HB3 GLU 7 0.254 8.456 -5.604
44 HG2 GLU 7 HG2 GLU 7 0.466 6.387 -6.849
45 HG3 GLU 7 HG3 GLU 7 0.491 5.409 -5.356
46 HA PRO 8 HA PRO 8 4.042 5.450 -1.801
47 HB2 PRO 8 HB2 PRO 8 4.422 6.792 0.573
48 HB3 PRO 8 HB3 PRO 8 5.366 7.196 -0.891
49 HG2 PRO 8 HG2 PRO 8 2.799 8.563 0.048
50 HG3 PRO 8 HG3 PRO 8 4.365 9.363 -0.297
51 HD2 PRO 8 HD2 PRO 8 2.378 9.260 -2.191
52 HD3 PRO 8 HD3 PRO 8 4.096 8.992 -2.706
53 H ASP 9 H ASP 9 3.367 4.180 0.243
54 HA ASP 9 HA ASP 9 0.420 4.518 0.734
55 HB2 ASP 9 HB2 ASP 9 1.926 1.992 1.503
56 HB3 ASP 9 HB3 ASP 9 0.204 2.224 1.159
57 H ILE 10 H ILE 10 3.455 3.390 2.510
58 HA ILE 10 HA ILE 10 2.606 5.036 4.822
59 HB ILE 10 HB ILE 10 3.045 2.002 5.079
60 HG12 ILE 10 HG12 ILE 10 0.427 3.597 5.285
61 HG13 ILE 10 HG13 ILE 10 0.878 2.438 4.000
62 HG21 ILE 10 HG21 ILE 10 2.191 4.076 7.187
63 HG22 ILE 10 HG22 ILE 10 2.549 2.347 7.472
64 HG23 ILE 10 HG23 ILE 10 3.855 3.451 7.024
65 HD11 ILE 10 HD11 ILE 10 1.020 0.596 5.738
66 HD12 ILE 10 HD12 ILE 10 0.336 1.735 6.941
67 HD13 ILE 10 HD13 ILE 10 -0.612 1.283 5.509
68 H GLY 11 H GLY 11 5.052 2.355 3.983
69 HA2 GLY 11 HA3 GLY 11 7.104 4.031 5.351
70 HA3 GLY 11 HA2 GLY 11 7.227 2.331 4.884
71 H GLN 12 H GLN 12 8.692 2.104 3.076
72 HA GLN 12 HA GLN 12 8.810 4.416 1.146
73 HB2 GLN 12 HB2 GLN 12 10.837 3.871 2.599
74 HB3 GLN 12 HB3 GLN 12 10.942 2.299 1.769
75 HG2 GLN 12 HG2 GLN 12 11.129 3.573 -0.460
76 HG3 GLN 12 HG3 GLN 12 11.149 5.098 0.456
77 HE21 GLN 12 HE21 GLN 12 12.938 5.179 2.328
78 HE22 GLN 12 HE22 GLN 12 14.453 4.476 1.902
79 H THR 13 H THR 13 6.650 3.126 0.555
80 HA THR 13 HA THR 13 7.450 1.368 -1.712
81 HB THR 13 HB THR 13 6.878 -0.202 0.167
82 HG1 THR 13 HG1 THR 13 6.189 -0.784 -2.030
83 HG21 THR 13 HG21 THR 13 4.533 -0.285 1.032
84 HG22 THR 13 HG22 THR 13 4.146 1.230 0.174
85 HG23 THR 13 HG23 THR 13 5.340 1.235 1.505
86 H TYR 14 H TYR 14 5.677 1.287 -3.404
87 HA TYR 14 HA TYR 14 3.736 3.537 -3.104
88 HB2 TYR 14 HB2 TYR 14 5.897 3.182 -5.246
89 HB3 TYR 14 HB3 TYR 14 4.608 4.411 -5.343
90 HD1 TYR 14 HD2 TYR 14 7.642 3.196 -3.449
91 HD2 TYR 14 HD1 TYR 14 5.028 6.525 -4.177
92 HE1 TYR 14 HE2 TYR 14 9.153 4.671 -2.171
93 HE2 TYR 14 HE1 TYR 14 6.637 8.037 -3.098
94 HH TYR 14 HH TYR 14 8.771 8.212 -2.018
95 H PHE 15 H PHE 15 1.863 3.369 -4.565
96 HA PHE 15 HA PHE 15 1.370 0.598 -5.306
97 HB2 PHE 15 HB2 PHE 15 -0.285 3.126 -5.877
98 HB3 PHE 15 HB3 PHE 15 -0.799 1.488 -6.304
99 HD1 PHE 15 HD2 PHE 15 -1.094 -0.287 -4.551
100 HD2 PHE 15 HD1 PHE 15 -0.549 3.858 -3.514
101 HE1 PHE 15 HE2 PHE 15 -1.872 -0.758 -2.251
102 HE2 PHE 15 HE1 PHE 15 -1.372 3.388 -1.230
103 HZ PHE 15 HZ PHE 15 -1.991 1.074 -0.577
104 H GLU 16 H GLU 16 0.671 -0.063 -7.579
105 HA GLU 16 HA GLU 16 2.688 1.043 -9.465
106 HB2 GLU 16 HB2 GLU 16 2.183 -1.490 -8.863
107 HB3 GLU 16 HB3 GLU 16 0.833 -1.347 -9.999
108 HG2 GLU 16 HG2 GLU 16 2.457 -0.920 -11.858
109 HG3 GLU 16 HG3 GLU 16 3.796 -0.735 -10.692
110 H GLU 17 H GLU 17 1.765 1.251 -11.833
111 HA GLU 17 HA GLU 17 -0.802 2.675 -11.704
112 HB2 GLU 17 HB2 GLU 17 -0.137 3.727 -13.817
113 HB3 GLU 17 HB3 GLU 17 1.065 3.994 -12.563
114 HG2 GLU 17 HG2 GLU 17 2.538 2.398 -13.513
115 HG3 GLU 17 HG3 GLU 17 1.296 1.819 -14.622
116 H SER 18 H SER 18 -0.849 -0.124 -11.679
117 HA SER 18 HA SER 18 -1.203 -1.217 -14.279
118 HB2 SER 18 HB2 SER 18 -1.720 -3.203 -13.212
119 HB3 SER 18 HB3 SER 18 -0.814 -2.383 -11.941
120 HG SER 18 HG SER 18 -2.691 -3.137 -11.033
121 H ARG 19 H ARG 19 -2.965 -1.357 -15.551
122 HA ARG 19 HA ARG 19 -5.385 0.031 -14.628
123 HB2 ARG 19 HB2 ARG 19 -4.014 0.671 -16.776
124 HB3 ARG 19 HB3 ARG 19 -4.891 -0.673 -17.495
125 HG2 ARG 19 HG2 ARG 19 -6.978 0.375 -17.144
126 HG3 ARG 19 HG3 ARG 19 -6.268 1.590 -16.079
127 HD2 ARG 19 HD2 ARG 19 -5.547 1.295 -18.988
128 HD3 ARG 19 HD3 ARG 19 -6.811 2.377 -18.403
129 HE ARG 19 HE ARG 19 -4.571 3.020 -16.951
130 HH11 ARG 19 HH11 ARG 19 -5.430 2.911 -20.323
131 HH12 ARG 19 HH12 ARG 19 -4.352 4.191 -20.773
132 HH21 ARG 19 HH21 ARG 19 -3.148 4.706 -17.531
133 HH22 ARG 19 HH22 ARG 19 -3.054 5.210 -19.185
Start of MODEL 14
1 H1 GLY 1 H GLY 1 1.673 -0.038 0.075
2 HA2 GLY 1 HA3 GLY 1 1.205 0.317 -2.640
3 HA3 GLY 1 HA2 GLY 1 2.862 0.922 -2.362
4 H LEU 2 H LEU 2 2.246 -1.320 -4.069
5 HA LEU 2 HA LEU 2 4.121 -3.228 -2.678
6 HB2 LEU 2 HB2 LEU 2 1.890 -3.831 -4.704
7 HB3 LEU 2 HB3 LEU 2 2.962 -5.045 -3.965
8 HG LEU 2 HG LEU 2 0.930 -3.325 -2.391
9 HD11 LEU 2 HD11 LEU 2 -0.254 -4.830 -3.988
10 HD12 LEU 2 HD12 LEU 2 -0.485 -5.388 -2.311
11 HD13 LEU 2 HD13 LEU 2 0.674 -6.232 -3.379
12 HD21 LEU 2 HD21 LEU 2 1.290 -5.034 -0.574
13 HD22 LEU 2 HD22 LEU 2 2.802 -4.177 -0.938
14 HD23 LEU 2 HD23 LEU 2 2.545 -5.828 -1.568
15 H SER 3 H SER 3 4.609 -0.731 -4.434
16 HA SER 3 HA SER 3 6.203 -2.071 -6.514
17 HB2 SER 3 HB2 SER 3 3.871 -0.197 -7.308
18 HB3 SER 3 HB3 SER 3 4.920 -1.136 -8.401
19 HG SER 3 HG SER 3 2.929 -2.277 -6.735
20 H GLN 4 H GLN 4 6.777 0.150 -8.116
21 HA GLN 4 HA GLN 4 7.881 2.012 -6.119
22 HB2 GLN 4 HB2 GLN 4 9.699 2.402 -7.798
23 HB3 GLN 4 HB3 GLN 4 9.653 0.771 -7.144
24 HG2 GLN 4 HG2 GLN 4 8.037 0.807 -9.465
25 HG3 GLN 4 HG3 GLN 4 9.559 1.609 -9.852
26 HE21 GLN 4 HE21 GLN 4 11.535 0.443 -9.380
27 HE22 GLN 4 HE22 GLN 4 11.541 -1.282 -9.470
28 H GLY 5 H GLY 5 5.213 2.547 -7.158
29 HA2 GLY 5 HA3 GLY 5 5.480 4.380 -9.402
30 HA3 GLY 5 HA2 GLY 5 4.068 4.157 -8.373
31 H VAL 6 H VAL 6 3.679 6.347 -7.891
32 HA VAL 6 HA VAL 6 5.896 7.972 -6.827
33 HB VAL 6 HB VAL 6 4.931 9.919 -7.758
34 HG11 VAL 6 HG11 VAL 6 5.994 8.106 -9.315
35 HG12 VAL 6 HG12 VAL 6 4.361 8.008 -9.977
36 HG13 VAL 6 HG13 VAL 6 5.235 9.540 -10.006
37 HG21 VAL 6 HG21 VAL 6 2.630 9.649 -7.252
38 HG22 VAL 6 HG22 VAL 6 2.740 9.805 -9.005
39 HG23 VAL 6 HG23 VAL 6 2.502 8.218 -8.274
40 H GLU 7 H GLU 7 2.646 6.653 -5.998
41 HA GLU 7 HA GLU 7 2.274 8.806 -3.990
42 HB2 GLU 7 HB2 GLU 7 0.048 7.709 -3.609
43 HB3 GLU 7 HB3 GLU 7 0.263 8.622 -5.126
44 HG2 GLU 7 HG2 GLU 7 0.416 6.615 -6.478
45 HG3 GLU 7 HG3 GLU 7 0.462 5.563 -5.033
46 HA PRO 8 HA PRO 8 4.084 5.400 -1.556
47 HB2 PRO 8 HB2 PRO 8 4.539 6.625 0.871
48 HB3 PRO 8 HB3 PRO 8 5.452 7.085 -0.596
49 HG2 PRO 8 HG2 PRO 8 2.924 8.436 0.468
50 HG3 PRO 8 HG3 PRO 8 4.491 9.235 0.122
51 HD2 PRO 8 HD2 PRO 8 2.456 9.239 -1.727
52 HD3 PRO 8 HD3 PRO 8 4.159 8.978 -2.295
53 H ASP 9 H ASP 9 3.465 4.049 0.454
54 HA ASP 9 HA ASP 9 0.530 4.373 1.030
55 HB2 ASP 9 HB2 ASP 9 2.048 1.808 1.640
56 HB3 ASP 9 HB3 ASP 9 0.318 2.061 1.358
57 H ILE 10 H ILE 10 3.600 3.149 2.683
58 HA ILE 10 HA ILE 10 2.819 4.689 5.087
59 HB ILE 10 HB ILE 10 3.198 1.639 5.199
60 HG12 ILE 10 HG12 ILE 10 0.614 3.266 5.517
61 HG13 ILE 10 HG13 ILE 10 1.026 2.159 4.175
62 HG21 ILE 10 HG21 ILE 10 2.412 3.636 7.410
63 HG22 ILE 10 HG22 ILE 10 2.739 1.888 7.615
64 HG23 ILE 10 HG23 ILE 10 4.062 2.985 7.199
65 HD11 ILE 10 HD11 ILE 10 0.514 1.330 7.088
66 HD12 ILE 10 HD12 ILE 10 -0.462 0.960 5.651
67 HD13 ILE 10 HD13 ILE 10 1.162 0.236 5.824
68 H GLY 11 H GLY 11 5.198 2.003 4.078
69 HA2 GLY 11 HA3 GLY 11 7.258 3.494 5.615
70 HA3 GLY 11 HA2 GLY 11 7.372 1.858 4.964
71 H GLN 12 H GLN 12 8.553 1.666 2.948
72 HA GLN 12 HA GLN 12 8.900 4.213 1.364
73 HB2 GLN 12 HB2 GLN 12 10.854 3.457 2.876
74 HB3 GLN 12 HB3 GLN 12 10.978 2.001 1.852
75 HG2 GLN 12 HG2 GLN 12 11.378 3.536 -0.159
76 HG3 GLN 12 HG3 GLN 12 11.239 4.947 0.927
77 HE21 GLN 12 HE21 GLN 12 13.530 5.301 -0.110
78 HE22 GLN 12 HE22 GLN 12 14.846 4.583 0.745
79 H THR 13 H THR 13 6.737 2.920 0.682
80 HA THR 13 HA THR 13 7.547 1.368 -1.738
81 HB THR 13 HB THR 13 7.034 -0.320 -0.002
82 HG1 THR 13 HG1 THR 13 5.393 -1.343 -1.376
83 HG21 THR 13 HG21 THR 13 5.471 0.980 1.476
84 HG22 THR 13 HG22 THR 13 4.678 -0.512 0.917
85 HG23 THR 13 HG23 THR 13 4.263 1.050 0.160
86 H TYR 14 H TYR 14 5.633 1.257 -3.339
87 HA TYR 14 HA TYR 14 3.759 3.546 -2.938
88 HB2 TYR 14 HB2 TYR 14 5.870 3.241 -5.138
89 HB3 TYR 14 HB3 TYR 14 4.592 4.487 -5.170
90 HD1 TYR 14 HD1 TYR 14 7.681 3.204 -3.431
91 HD2 TYR 14 HD2 TYR 14 5.023 6.543 -3.901
92 HE1 TYR 14 HE1 TYR 14 9.216 4.620 -2.112
93 HE2 TYR 14 HE2 TYR 14 6.654 8.011 -2.792
94 HH TYR 14 HH TYR 14 8.792 8.141 -1.719
95 H PHE 15 H PHE 15 1.843 3.455 -4.347
96 HA PHE 15 HA PHE 15 1.307 0.725 -5.213
97 HB2 PHE 15 HB2 PHE 15 -0.343 3.291 -5.612
98 HB3 PHE 15 HB3 PHE 15 -0.880 1.678 -6.105
99 HD1 PHE 15 HD1 PHE 15 -1.155 -0.172 -4.427
100 HD2 PHE 15 HD2 PHE 15 -0.533 3.915 -3.213
101 HE1 PHE 15 HE1 PHE 15 -1.893 -0.739 -2.135
102 HE2 PHE 15 HE2 PHE 15 -1.316 3.351 -0.935
103 HZ PHE 15 HZ PHE 15 -1.954 1.017 -0.376
104 H GLU 16 H GLU 16 0.588 0.156 -7.499
105 HA GLU 16 HA GLU 16 2.545 1.358 -9.363
106 HB2 GLU 16 HB2 GLU 16 2.096 -1.144 -9.049
107 HB3 GLU 16 HB3 GLU 16 0.554 -0.941 -9.902
108 HG2 GLU 16 HG2 GLU 16 1.742 -0.356 -11.986
109 HG3 GLU 16 HG3 GLU 16 3.289 -0.139 -11.118
110 H GLU 17 H GLU 17 1.699 1.973 -11.607
111 HA GLU 17 HA GLU 17 -0.893 3.337 -11.381
112 HB2 GLU 17 HB2 GLU 17 -0.146 4.722 -13.257
113 HB3 GLU 17 HB3 GLU 17 1.003 4.782 -11.928
114 HG2 GLU 17 HG2 GLU 17 2.513 3.337 -13.067
115 HG3 GLU 17 HG3 GLU 17 1.325 2.995 -14.323
116 H SER 18 H SER 18 -0.898 0.567 -11.805
117 HA SER 18 HA SER 18 -1.118 -0.097 -14.560
118 HB2 SER 18 HB2 SER 18 -2.357 -1.541 -12.207
119 HB3 SER 18 HB3 SER 18 -2.013 -2.214 -13.800
120 HG SER 18 HG SER 18 -0.415 -2.730 -12.201
121 H ARG 19 H ARG 19 -3.241 -1.088 -15.395
122 HA ARG 19 HA ARG 19 -5.263 0.986 -15.215
123 HB2 ARG 19 HB2 ARG 19 -4.584 -1.179 -17.113
124 HB3 ARG 19 HB3 ARG 19 -6.294 -0.789 -16.976
125 HG2 ARG 19 HG2 ARG 19 -5.854 1.514 -17.556
126 HG3 ARG 19 HG3 ARG 19 -4.118 1.199 -17.589
127 HD2 ARG 19 HD2 ARG 19 -4.475 -0.415 -19.418
128 HD3 ARG 19 HD3 ARG 19 -6.193 -0.020 -19.407
129 HE ARG 19 HE ARG 19 -4.903 2.378 -19.740
130 HH11 ARG 19 HH11 ARG 19 -5.003 -0.665 -21.427
131 HH12 ARG 19 HH12 ARG 19 -4.705 0.038 -22.982
132 HH21 ARG 19 HH21 ARG 19 -4.510 3.316 -21.781
133 HH22 ARG 19 HH22 ARG 19 -4.424 2.303 -23.182
Start of MODEL 15
1 H1 GLY 1 H GLY 1 1.670 0.033 0.212
2 HA2 GLY 1 HA3 GLY 1 1.218 0.294 -2.511
3 HA3 GLY 1 HA2 GLY 1 2.868 0.926 -2.252
4 H LEU 2 H LEU 2 2.354 -1.330 -3.901
5 HA LEU 2 HA LEU 2 4.217 -3.180 -2.424
6 HB2 LEU 2 HB2 LEU 2 2.008 -3.873 -4.452
7 HB3 LEU 2 HB3 LEU 2 3.093 -5.058 -3.683
8 HG LEU 2 HG LEU 2 1.039 -3.336 -2.141
9 HD11 LEU 2 HD11 LEU 2 0.800 -6.251 -3.109
10 HD12 LEU 2 HD12 LEU 2 -0.136 -4.858 -3.725
11 HD13 LEU 2 HD13 LEU 2 -0.363 -5.406 -2.045
12 HD21 LEU 2 HD21 LEU 2 2.923 -4.172 -0.684
13 HD22 LEU 2 HD22 LEU 2 2.657 -5.830 -1.294
14 HD23 LEU 2 HD23 LEU 2 1.407 -5.019 -0.307
15 H SER 3 H SER 3 4.676 -0.740 -4.276
16 HA SER 3 HA SER 3 6.319 -2.135 -6.276
17 HB2 SER 3 HB2 SER 3 3.998 -0.308 -7.183
18 HB3 SER 3 HB3 SER 3 5.047 -1.317 -8.215
19 HG SER 3 HG SER 3 3.023 -2.341 -6.508
20 H GLN 4 H GLN 4 6.854 0.056 -7.964
21 HA GLN 4 HA GLN 4 7.920 1.982 -6.008
22 HB2 GLN 4 HB2 GLN 4 9.707 2.364 -7.775
23 HB3 GLN 4 HB3 GLN 4 9.750 0.817 -6.942
24 HG2 GLN 4 HG2 GLN 4 8.168 0.841 -9.410
25 HG3 GLN 4 HG3 GLN 4 9.893 1.134 -9.625
26 HE21 GLN 4 HE21 GLN 4 8.092 -1.170 -10.278
27 HE22 GLN 4 HE22 GLN 4 8.878 -2.546 -9.589
28 H GLY 5 H GLY 5 5.259 2.451 -7.065
29 HA2 GLY 5 HA3 GLY 5 5.488 4.224 -9.357
30 HA3 GLY 5 HA2 GLY 5 4.086 4.012 -8.308
31 H VAL 6 H VAL 6 3.679 6.220 -7.917
32 HA VAL 6 HA VAL 6 5.873 7.898 -6.888
33 HB VAL 6 HB VAL 6 4.888 9.808 -7.873
34 HG11 VAL 6 HG11 VAL 6 4.410 7.735 -9.988
35 HG12 VAL 6 HG12 VAL 6 5.089 9.356 -10.155
36 HG13 VAL 6 HG13 VAL 6 6.032 8.079 -9.387
37 HG21 VAL 6 HG21 VAL 6 2.598 9.581 -7.397
38 HG22 VAL 6 HG22 VAL 6 2.699 9.581 -9.158
39 HG23 VAL 6 HG23 VAL 6 2.477 8.063 -8.288
40 H GLU 7 H GLU 7 2.640 6.559 -6.033
41 HA GLU 7 HA GLU 7 2.228 8.758 -4.089
42 HB2 GLU 7 HB2 GLU 7 0.005 7.664 -3.709
43 HB3 GLU 7 HB3 GLU 7 0.243 8.501 -5.265
44 HG2 GLU 7 HG2 GLU 7 0.411 6.420 -6.512
45 HG3 GLU 7 HG3 GLU 7 0.466 5.448 -5.019
46 HA PRO 8 HA PRO 8 4.082 5.452 -1.534
47 HB2 PRO 8 HB2 PRO 8 4.454 6.754 0.870
48 HB3 PRO 8 HB3 PRO 8 5.397 7.187 -0.585
49 HG2 PRO 8 HG2 PRO 8 2.825 8.525 0.379
50 HG3 PRO 8 HG3 PRO 8 4.386 9.339 0.041
51 HD2 PRO 8 HD2 PRO 8 2.391 9.259 -1.845
52 HD3 PRO 8 HD3 PRO 8 4.108 9.005 -2.374
53 H ASP 9 H ASP 9 3.449 4.145 0.496
54 HA ASP 9 HA ASP 9 0.509 4.462 1.059
55 HB2 ASP 9 HB2 ASP 9 2.026 1.913 1.731
56 HB3 ASP 9 HB3 ASP 9 0.298 2.160 1.424
57 H ILE 10 H ILE 10 3.585 3.276 2.726
58 HA ILE 10 HA ILE 10 2.821 4.881 5.092
59 HB ILE 10 HB ILE 10 3.208 1.835 5.288
60 HG12 ILE 10 HG12 ILE 10 0.618 3.459 5.576
61 HG13 ILE 10 HG13 ILE 10 1.030 2.325 4.256
62 HG21 ILE 10 HG21 ILE 10 2.760 2.154 7.697
63 HG22 ILE 10 HG22 ILE 10 4.076 3.244 7.242
64 HG23 ILE 10 HG23 ILE 10 2.425 3.893 7.444
65 HD11 ILE 10 HD11 ILE 10 0.541 1.554 7.189
66 HD12 ILE 10 HD12 ILE 10 -0.445 1.153 5.766
67 HD13 ILE 10 HD13 ILE 10 1.182 0.438 5.941
68 H GLY 11 H GLY 11 5.187 2.167 4.134
69 HA2 GLY 11 HA3 GLY 11 7.301 3.738 5.522
70 HA3 GLY 11 HA2 GLY 11 7.390 2.067 4.948
71 H GLN 12 H GLN 12 8.829 1.944 3.103
72 HA GLN 12 HA GLN 12 8.881 4.353 1.289
73 HB2 GLN 12 HB2 GLN 12 10.965 3.738 2.676
74 HB3 GLN 12 HB3 GLN 12 11.065 2.241 1.717
75 HG2 GLN 12 HG2 GLN 12 11.168 3.730 -0.399
76 HG3 GLN 12 HG3 GLN 12 11.168 5.156 0.664
77 HE21 GLN 12 HE21 GLN 12 13.055 2.150 -0.193
78 HE22 GLN 12 HE22 GLN 12 14.557 2.760 0.399
79 H THR 13 H THR 13 6.721 3.014 0.732
80 HA THR 13 HA THR 13 7.484 1.354 -1.630
81 HB THR 13 HB THR 13 6.963 -0.267 0.210
82 HG1 THR 13 HG1 THR 13 6.225 -0.790 -1.981
83 HG21 THR 13 HG21 THR 13 4.226 1.152 0.325
84 HG22 THR 13 HG22 THR 13 5.448 1.113 1.631
85 HG23 THR 13 HG23 THR 13 4.631 -0.390 1.126
86 H TYR 14 H TYR 14 5.663 1.309 -3.281
87 HA TYR 14 HA TYR 14 3.746 3.565 -2.879
88 HB2 TYR 14 HB2 TYR 14 5.869 3.258 -5.069
89 HB3 TYR 14 HB3 TYR 14 4.579 4.492 -5.113
90 HD1 TYR 14 HD1 TYR 14 7.645 3.223 -3.308
91 HD2 TYR 14 HD2 TYR 14 5.029 6.576 -3.914
92 HE1 TYR 14 HE1 TYR 14 9.128 4.638 -1.931
93 HE2 TYR 14 HE2 TYR 14 6.628 8.043 -2.759
94 HH TYR 14 HH TYR 14 8.626 8.141 -1.449
95 H PHE 15 H PHE 15 1.789 3.370 -4.189
96 HA PHE 15 HA PHE 15 1.321 0.650 -5.084
97 HB2 PHE 15 HB2 PHE 15 -0.389 3.175 -5.514
98 HB3 PHE 15 HB3 PHE 15 -0.881 1.535 -5.977
99 HD1 PHE 15 HD1 PHE 15 -1.148 -0.273 -4.259
100 HD2 PHE 15 HD2 PHE 15 -0.564 3.844 -3.127
101 HE1 PHE 15 HE1 PHE 15 -1.872 -0.801 -1.952
102 HE2 PHE 15 HE2 PHE 15 -1.335 3.318 -0.836
103 HZ PHE 15 HZ PHE 15 -1.946 0.988 -0.228
104 H GLU 16 H GLU 16 0.736 0.009 -7.374
105 HA GLU 16 HA GLU 16 2.613 1.374 -9.199
106 HB2 GLU 16 HB2 GLU 16 2.393 -1.169 -8.943
107 HB3 GLU 16 HB3 GLU 16 0.848 -1.078 -9.812
108 HG2 GLU 16 HG2 GLU 16 2.026 -0.269 -11.852
109 HG3 GLU 16 HG3 GLU 16 3.539 -0.023 -10.933
110 H GLU 17 H GLU 17 1.835 2.103 -11.354
111 HA GLU 17 HA GLU 17 -0.945 3.048 -11.274
112 HB2 GLU 17 HB2 GLU 17 -0.220 4.728 -12.933
113 HB3 GLU 17 HB3 GLU 17 0.698 4.824 -11.437
114 HG2 GLU 17 HG2 GLU 17 2.599 3.839 -12.422
115 HG3 GLU 17 HG3 GLU 17 1.690 3.333 -13.845
116 H SER 18 H SER 18 -0.490 0.383 -12.004
117 HA SER 18 HA SER 18 -0.339 0.052 -14.823
118 HB2 SER 18 HB2 SER 18 -0.096 -1.661 -12.769
119 HB3 SER 18 HB3 SER 18 -1.777 -1.980 -13.197
120 HG SER 18 HG SER 18 0.254 -1.933 -15.156
121 H ARG 19 H ARG 19 -2.085 -0.793 -16.184
122 HA ARG 19 HA ARG 19 -4.619 0.562 -15.567
123 HB2 ARG 19 HB2 ARG 19 -3.088 0.865 -17.759
124 HB3 ARG 19 HB3 ARG 19 -4.098 -0.471 -18.297
125 HG2 ARG 19 HG2 ARG 19 -6.099 0.886 -17.738
126 HG3 ARG 19 HG3 ARG 19 -5.024 2.236 -17.365
127 HD2 ARG 19 HD2 ARG 19 -5.342 2.775 -19.525
128 HD3 ARG 19 HD3 ARG 19 -4.127 1.533 -19.821
129 HE ARG 19 HE ARG 19 -6.650 0.318 -19.737
130 HH11 ARG 19 HH11 ARG 19 -4.814 2.511 -21.721
131 HH12 ARG 19 HH12 ARG 19 -5.616 2.061 -23.189
132 HH21 ARG 19 HH21 ARG 19 -7.713 -0.284 -21.663
133 HH22 ARG 19 HH22 ARG 19 -7.265 0.472 -23.155
Start of MODEL 16
1 H1 GLY 1 H GLY 1 1.582 0.027 -0.096
2 HA2 GLY 1 HA3 GLY 1 1.278 0.440 -2.831
3 HA3 GLY 1 HA2 GLY 1 2.929 1.001 -2.444
4 H LEU 2 H LEU 2 2.400 -1.173 -4.230
5 HA LEU 2 HA LEU 2 4.148 -3.141 -2.767
6 HB2 LEU 2 HB2 LEU 2 2.009 -3.674 -4.914
7 HB3 LEU 2 HB3 LEU 2 3.024 -4.925 -4.155
8 HG LEU 2 HG LEU 2 0.961 -3.207 -2.622
9 HD11 LEU 2 HD11 LEU 2 0.669 -6.065 -3.731
10 HD12 LEU 2 HD12 LEU 2 -0.197 -4.616 -4.318
11 HD13 LEU 2 HD13 LEU 2 -0.510 -5.232 -2.676
12 HD21 LEU 2 HD21 LEU 2 2.758 -4.174 -1.128
13 HD22 LEU 2 HD22 LEU 2 2.461 -5.791 -1.824
14 HD23 LEU 2 HD23 LEU 2 1.201 -4.981 -0.851
15 H SER 3 H SER 3 4.761 -0.630 -4.470
16 HA SER 3 HA SER 3 6.487 -1.981 -6.413
17 HB2 SER 3 HB2 SER 3 4.335 -0.053 -7.509
18 HB3 SER 3 HB3 SER 3 5.392 -1.190 -8.398
19 HG SER 3 HG SER 3 3.141 -1.970 -6.846
20 H GLN 4 H GLN 4 7.108 0.280 -8.022
21 HA GLN 4 HA GLN 4 8.114 2.111 -5.946
22 HB2 GLN 4 HB2 GLN 4 10.014 2.518 -7.532
23 HB3 GLN 4 HB3 GLN 4 9.934 0.883 -6.890
24 HG2 GLN 4 HG2 GLN 4 8.443 1.017 -9.322
25 HG3 GLN 4 HG3 GLN 4 10.050 1.693 -9.577
26 HE21 GLN 4 HE21 GLN 4 8.475 -0.970 -10.098
27 HE22 GLN 4 HE22 GLN 4 9.670 -2.170 -9.758
28 H GLY 5 H GLY 5 5.504 2.669 -7.120
29 HA2 GLY 5 HA3 GLY 5 5.891 4.530 -9.321
30 HA3 GLY 5 HA2 GLY 5 4.429 4.304 -8.365
31 H VAL 6 H VAL 6 4.025 6.488 -7.873
32 HA VAL 6 HA VAL 6 6.195 8.089 -6.684
33 HB VAL 6 HB VAL 6 5.283 10.052 -7.636
34 HG11 VAL 6 HG11 VAL 6 4.924 7.997 -9.804
35 HG12 VAL 6 HG12 VAL 6 5.486 9.663 -9.961
36 HG13 VAL 6 HG13 VAL 6 6.504 8.457 -9.172
37 HG21 VAL 6 HG21 VAL 6 3.134 9.697 -9.127
38 HG22 VAL 6 HG22 VAL 6 2.846 8.381 -7.989
39 HG23 VAL 6 HG23 VAL 6 3.007 10.036 -7.400
40 H GLU 7 H GLU 7 2.912 6.762 -6.011
41 HA GLU 7 HA GLU 7 2.456 8.902 -4.005
42 HB2 GLU 7 HB2 GLU 7 0.195 7.846 -3.767
43 HB3 GLU 7 HB3 GLU 7 0.520 8.767 -5.261
44 HG2 GLU 7 HG2 GLU 7 0.703 6.756 -6.616
45 HG3 GLU 7 HG3 GLU 7 0.635 5.702 -5.173
46 HA PRO 8 HA PRO 8 4.119 5.440 -1.544
47 HB2 PRO 8 HB2 PRO 8 4.471 6.627 0.920
48 HB3 PRO 8 HB3 PRO 8 5.455 7.101 -0.495
49 HG2 PRO 8 HG2 PRO 8 2.888 8.458 0.469
50 HG3 PRO 8 HG3 PRO 8 4.476 9.249 0.211
51 HD2 PRO 8 HD2 PRO 8 2.533 9.300 -1.732
52 HD3 PRO 8 HD3 PRO 8 4.260 9.032 -2.222
53 H ASP 9 H ASP 9 3.385 4.077 0.423
54 HA ASP 9 HA ASP 9 0.431 4.443 0.868
55 HB2 ASP 9 HB2 ASP 9 1.861 1.840 1.521
56 HB3 ASP 9 HB3 ASP 9 0.160 2.132 1.130
57 H ILE 10 H ILE 10 3.399 3.133 2.635
58 HA ILE 10 HA ILE 10 2.552 4.674 5.022
59 HB ILE 10 HB ILE 10 2.838 1.609 5.058
60 HG12 ILE 10 HG12 ILE 10 0.331 3.324 5.510
61 HG13 ILE 10 HG13 ILE 10 0.676 2.317 4.072
62 HG21 ILE 10 HG21 ILE 10 2.199 3.583 7.343
63 HG22 ILE 10 HG22 ILE 10 2.372 1.810 7.501
64 HG23 ILE 10 HG23 ILE 10 3.783 2.794 7.101
65 HD11 ILE 10 HD11 ILE 10 -0.844 1.070 5.467
66 HD12 ILE 10 HD12 ILE 10 0.744 0.252 5.509
67 HD13 ILE 10 HD13 ILE 10 0.189 1.233 6.903
68 H GLY 11 H GLY 11 4.917 1.948 4.098
69 HA2 GLY 11 HA3 GLY 11 6.968 3.429 5.659
70 HA3 GLY 11 HA2 GLY 11 7.068 1.782 5.028
71 H GLN 12 H GLN 12 8.485 1.631 3.174
72 HA GLN 12 HA GLN 12 8.794 4.137 1.516
73 HB2 GLN 12 HB2 GLN 12 10.724 3.390 3.040
74 HB3 GLN 12 HB3 GLN 12 10.853 1.920 2.043
75 HG2 GLN 12 HG2 GLN 12 11.178 3.448 -0.010
76 HG3 GLN 12 HG3 GLN 12 11.193 4.848 1.088
77 HE21 GLN 12 HE21 GLN 12 12.875 4.601 3.066
78 HE22 GLN 12 HE22 GLN 12 14.395 3.922 2.618
79 H THR 13 H THR 13 6.637 2.915 0.747
80 HA THR 13 HA THR 13 7.498 1.321 -1.621
81 HB THR 13 HB THR 13 6.855 -0.362 0.121
82 HG1 THR 13 HG1 THR 13 6.211 -0.788 -2.118
83 HG21 THR 13 HG21 THR 13 4.144 1.111 0.171
84 HG22 THR 13 HG22 THR 13 5.301 0.992 1.529
85 HG23 THR 13 HG23 THR 13 4.478 -0.470 0.926
86 H TYR 14 H TYR 14 5.765 1.358 -3.363
87 HA TYR 14 HA TYR 14 3.837 3.608 -2.981
88 HB2 TYR 14 HB2 TYR 14 6.068 3.366 -5.071
89 HB3 TYR 14 HB3 TYR 14 4.788 4.608 -5.139
90 HD1 TYR 14 HD2 TYR 14 7.757 3.261 -3.233
91 HD2 TYR 14 HD1 TYR 14 5.172 6.642 -3.817
92 HE1 TYR 14 HE2 TYR 14 9.246 4.635 -1.840
93 HE2 TYR 14 HE1 TYR 14 6.779 8.077 -2.609
94 HH TYR 14 HH TYR 14 9.826 6.876 -1.202
95 H PHE 15 H PHE 15 2.006 3.539 -4.506
96 HA PHE 15 HA PHE 15 1.521 0.814 -5.414
97 HB2 PHE 15 HB2 PHE 15 -0.097 3.386 -5.885
98 HB3 PHE 15 HB3 PHE 15 -0.613 1.778 -6.421
99 HD1 PHE 15 HD1 PHE 15 -0.983 -0.084 -4.774
100 HD2 PHE 15 HD2 PHE 15 -0.411 3.990 -3.492
101 HE1 PHE 15 HE1 PHE 15 -1.835 -0.669 -2.525
102 HE2 PHE 15 HE2 PHE 15 -1.306 3.408 -1.261
103 HZ PHE 15 HZ PHE 15 -1.976 1.070 -0.755
104 H GLU 16 H GLU 16 0.945 0.238 -7.732
105 HA GLU 16 HA GLU 16 2.933 1.518 -9.534
106 HB2 GLU 16 HB2 GLU 16 2.169 -1.152 -9.234
107 HB3 GLU 16 HB3 GLU 16 1.131 -0.665 -10.572
108 HG2 GLU 16 HG2 GLU 16 3.407 0.148 -11.738
109 HG3 GLU 16 HG3 GLU 16 4.210 -0.675 -10.407
110 H GLU 17 H GLU 17 1.973 1.823 -11.871
111 HA GLU 17 HA GLU 17 -0.582 3.264 -11.712
112 HB2 GLU 17 HB2 GLU 17 0.101 4.316 -13.843
113 HB3 GLU 17 HB3 GLU 17 1.249 4.612 -12.545
114 HG2 GLU 17 HG2 GLU 17 2.810 3.095 -13.439
115 HG3 GLU 17 HG3 GLU 17 1.622 2.406 -14.544
116 H SER 18 H SER 18 -0.657 0.465 -11.746
117 HA SER 18 HA SER 18 -1.024 -0.569 -14.368
118 HB2 SER 18 HB2 SER 18 -1.324 -1.534 -11.617
119 HB3 SER 18 HB3 SER 18 -2.511 -2.215 -12.729
120 HG SER 18 HG SER 18 -0.800 -3.531 -12.941
121 H ARG 19 H ARG 19 -3.065 -1.355 -15.253
122 HA ARG 19 HA ARG 19 -5.126 0.667 -15.005
123 HB2 ARG 19 HB2 ARG 19 -4.163 -0.755 -17.128
124 HB3 ARG 19 HB3 ARG 19 -5.637 -1.640 -16.757
125 HG2 ARG 19 HG2 ARG 19 -6.979 0.293 -17.077
126 HG3 ARG 19 HG3 ARG 19 -5.558 1.337 -17.162
127 HD2 ARG 19 HD2 ARG 19 -4.906 -0.209 -19.165
128 HD3 ARG 19 HD3 ARG 19 -6.629 -0.584 -19.182
129 HE ARG 19 HE ARG 19 -6.296 2.204 -19.113
130 HH11 ARG 19 HH11 ARG 19 -5.824 -0.504 -21.251
131 HH12 ARG 19 HH12 ARG 19 -6.045 0.430 -22.694
132 HH21 ARG 19 HH21 ARG 19 -6.588 3.444 -21.006
133 HH22 ARG 19 HH22 ARG 19 -6.478 2.675 -22.553
Start of MODEL 17
1 H1 GLY 1 H GLY 1 1.403 0.078 -0.375
2 HA2 GLY 1 HA3 GLY 1 1.275 0.521 -3.116
3 HA3 GLY 1 HA2 GLY 1 2.905 1.055 -2.621
4 H LEU 2 H LEU 2 2.389 -1.145 -4.444
5 HA LEU 2 HA LEU 2 3.906 -3.214 -2.853
6 HB2 LEU 2 HB2 LEU 2 2.072 -3.606 -5.289
7 HB3 LEU 2 HB3 LEU 2 2.830 -4.900 -4.327
8 HG LEU 2 HG LEU 2 0.658 -2.948 -3.290
9 HD11 LEU 2 HD11 LEU 2 -0.241 -4.421 -5.088
10 HD12 LEU 2 HD12 LEU 2 -0.916 -4.873 -3.502
11 HD13 LEU 2 HD13 LEU 2 0.376 -5.867 -4.236
12 HD21 LEU 2 HD21 LEU 2 1.791 -5.540 -2.050
13 HD22 LEU 2 HD22 LEU 2 0.431 -4.580 -1.397
14 HD23 LEU 2 HD23 LEU 2 2.068 -3.888 -1.427
15 H SER 3 H SER 3 4.752 -0.671 -4.607
16 HA SER 3 HA SER 3 6.644 -2.132 -6.322
17 HB2 SER 3 HB2 SER 3 4.521 -0.271 -7.553
18 HB3 SER 3 HB3 SER 3 5.688 -1.292 -8.435
19 HG SER 3 HG SER 3 3.442 -2.312 -7.051
20 H GLN 4 H GLN 4 7.366 0.134 -7.960
21 HA GLN 4 HA GLN 4 8.301 1.938 -5.829
22 HB2 GLN 4 HB2 GLN 4 10.279 2.309 -7.369
23 HB3 GLN 4 HB3 GLN 4 10.165 0.717 -6.631
24 HG2 GLN 4 HG2 GLN 4 9.724 -0.325 -8.602
25 HG3 GLN 4 HG3 GLN 4 8.936 1.088 -9.302
26 HE21 GLN 4 HE21 GLN 4 10.038 2.234 -10.729
27 HE22 GLN 4 HE22 GLN 4 11.742 2.142 -11.000
28 H GLY 5 H GLY 5 5.777 2.577 -7.135
29 HA2 GLY 5 HA3 GLY 5 6.354 4.418 -9.319
30 HA3 GLY 5 HA2 GLY 5 4.828 4.225 -8.474
31 H VAL 6 H VAL 6 4.435 6.413 -7.979
32 HA VAL 6 HA VAL 6 6.567 7.961 -6.657
33 HB VAL 6 HB VAL 6 5.762 9.946 -7.658
34 HG11 VAL 6 HG11 VAL 6 6.888 8.044 -9.125
35 HG12 VAL 6 HG12 VAL 6 5.355 8.158 -9.992
36 HG13 VAL 6 HG13 VAL 6 6.380 9.583 -9.821
37 HG21 VAL 6 HG21 VAL 6 3.717 9.858 -9.172
38 HG22 VAL 6 HG22 VAL 6 3.347 8.316 -8.400
39 HG23 VAL 6 HG23 VAL 6 3.425 9.789 -7.434
40 H GLU 7 H GLU 7 3.207 6.733 -6.202
41 HA GLU 7 HA GLU 7 2.692 8.871 -4.218
42 HB2 GLU 7 HB2 GLU 7 0.397 7.893 -4.110
43 HB3 GLU 7 HB3 GLU 7 0.835 8.763 -5.602
44 HG2 GLU 7 HG2 GLU 7 1.026 6.711 -6.895
45 HG3 GLU 7 HG3 GLU 7 0.877 5.706 -5.432
46 HA PRO 8 HA PRO 8 4.121 5.405 -1.609
47 HB2 PRO 8 HB2 PRO 8 4.299 6.610 0.860
48 HB3 PRO 8 HB3 PRO 8 5.393 7.061 -0.477
49 HG2 PRO 8 HG2 PRO 8 2.782 8.454 0.278
50 HG3 PRO 8 HG3 PRO 8 4.394 9.222 0.137
51 HD2 PRO 8 HD2 PRO 8 2.609 9.286 -1.946
52 HD3 PRO 8 HD3 PRO 8 4.359 8.989 -2.307
53 H ASP 9 H ASP 9 3.250 4.110 0.351
54 HA ASP 9 HA ASP 9 0.276 4.493 0.583
55 HB2 ASP 9 HB2 ASP 9 1.628 1.860 1.273
56 HB3 ASP 9 HB3 ASP 9 -0.048 2.182 0.797
57 H ILE 10 H ILE 10 3.103 3.110 2.520
58 HA ILE 10 HA ILE 10 2.118 4.629 4.866
59 HB ILE 10 HB ILE 10 2.393 1.567 4.932
60 HG12 ILE 10 HG12 ILE 10 -0.157 3.278 5.016
61 HG13 ILE 10 HG13 ILE 10 0.356 2.181 3.701
62 HG21 ILE 10 HG21 ILE 10 3.080 2.831 7.047
63 HG22 ILE 10 HG22 ILE 10 1.440 3.533 7.105
64 HG23 ILE 10 HG23 ILE 10 1.687 1.772 7.291
65 HD11 ILE 10 HD11 ILE 10 0.249 0.229 5.318
66 HD12 ILE 10 HD12 ILE 10 -0.496 1.325 6.525
67 HD13 ILE 10 HD13 ILE 10 -1.321 1.013 4.984
68 H GLY 11 H GLY 11 4.517 1.895 4.053
69 HA2 GLY 11 HA3 GLY 11 6.439 3.294 5.832
70 HA3 GLY 11 HA2 GLY 11 6.587 1.674 5.151
71 H GLN 12 H GLN 12 7.901 1.486 3.213
72 HA GLN 12 HA GLN 12 8.467 4.054 1.743
73 HB2 GLN 12 HB2 GLN 12 10.226 3.302 3.477
74 HB3 GLN 12 HB3 GLN 12 10.489 1.855 2.468
75 HG2 GLN 12 HG2 GLN 12 11.167 3.385 0.549
76 HG3 GLN 12 HG3 GLN 12 10.801 4.803 1.569
77 HE21 GLN 12 HE21 GLN 12 13.105 5.541 1.364
78 HE22 GLN 12 HE22 GLN 12 14.330 4.725 2.262
79 H THR 13 H THR 13 6.425 2.801 0.797
80 HA THR 13 HA THR 13 7.483 1.250 -1.525
81 HB THR 13 HB THR 13 6.716 -0.451 0.144
82 HG1 THR 13 HG1 THR 13 6.226 -0.853 -2.138
83 HG21 THR 13 HG21 THR 13 5.072 0.888 1.455
84 HG22 THR 13 HG22 THR 13 4.295 -0.568 0.786
85 HG23 THR 13 HG23 THR 13 4.008 1.020 0.024
86 H TYR 14 H TYR 14 5.816 1.291 -3.383
87 HA TYR 14 HA TYR 14 3.948 3.598 -3.088
88 HB2 TYR 14 HB2 TYR 14 6.261 3.312 -5.069
89 HB3 TYR 14 HB3 TYR 14 5.024 4.589 -5.175
90 HD1 TYR 14 HD1 TYR 14 7.860 3.139 -3.160
91 HD2 TYR 14 HD2 TYR 14 5.387 6.589 -3.796
92 HE1 TYR 14 HE1 TYR 14 9.254 4.421 -1.596
93 HE2 TYR 14 HE2 TYR 14 6.924 7.942 -2.420
94 HH TYR 14 HH TYR 14 9.761 6.588 -0.726
95 H PHE 15 H PHE 15 2.132 3.549 -4.586
96 HA PHE 15 HA PHE 15 1.632 0.900 -5.624
97 HB2 PHE 15 HB2 PHE 15 0.100 3.515 -6.116
98 HB3 PHE 15 HB3 PHE 15 -0.418 1.940 -6.722
99 HD1 PHE 15 HD2 PHE 15 -0.920 0.038 -5.165
100 HD2 PHE 15 HD1 PHE 15 -0.323 4.051 -3.721
101 HE1 PHE 15 HE2 PHE 15 -1.913 -0.594 -2.990
102 HE2 PHE 15 HE1 PHE 15 -1.373 3.428 -1.572
103 HZ PHE 15 HZ PHE 15 -2.125 1.095 -1.181
104 H GLU 16 H GLU 16 1.083 0.456 -7.979
105 HA GLU 16 HA GLU 16 3.334 1.546 -9.599
106 HB2 GLU 16 HB2 GLU 16 2.809 -0.917 -9.119
107 HB3 GLU 16 HB3 GLU 16 1.411 -0.781 -10.173
108 HG2 GLU 16 HG2 GLU 16 2.888 -0.572 -12.139
109 HG3 GLU 16 HG3 GLU 16 4.286 -0.119 -11.111
110 H GLU 17 H GLU 17 2.520 1.670 -12.118
111 HA GLU 17 HA GLU 17 0.226 3.506 -12.071
112 HB2 GLU 17 HB2 GLU 17 1.112 4.371 -14.206
113 HB3 GLU 17 HB3 GLU 17 2.275 4.510 -12.895
114 HG2 GLU 17 HG2 GLU 17 3.548 2.685 -13.713
115 HG3 GLU 17 HG3 GLU 17 2.294 2.250 -14.874
116 H SER 18 H SER 18 -0.311 0.767 -12.015
117 HA SER 18 HA SER 18 -0.769 -0.300 -14.609
118 HB2 SER 18 HB2 SER 18 -1.955 -1.028 -11.921
119 HB3 SER 18 HB3 SER 18 -2.199 -1.959 -13.399
120 HG SER 18 HG SER 18 0.114 -1.635 -11.853
121 H ARG 19 H ARG 19 -2.948 -0.853 -15.447
122 HA ARG 19 HA ARG 19 -4.592 1.521 -15.486
123 HB2 ARG 19 HB2 ARG 19 -3.953 -0.116 -17.451
124 HB3 ARG 19 HB3 ARG 19 -5.360 -1.006 -16.885
125 HG2 ARG 19 HG2 ARG 19 -6.483 1.382 -17.034
126 HG3 ARG 19 HG3 ARG 19 -5.192 1.642 -18.209
127 HD2 ARG 19 HD2 ARG 19 -7.198 0.846 -19.319
128 HD3 ARG 19 HD3 ARG 19 -5.915 -0.359 -19.430
129 HE ARG 19 HE ARG 19 -7.235 -1.798 -18.251
130 HH11 ARG 19 HH11 ARG 19 -8.395 1.446 -17.751
131 HH12 ARG 19 HH12 ARG 19 -9.797 0.948 -16.864
132 HH21 ARG 19 HH21 ARG 19 -9.078 -2.467 -17.084
133 HH22 ARG 19 HH22 ARG 19 -10.184 -1.278 -16.484
Start of MODEL 18
1 H1 GLY 1 H GLY 1 1.779 0.081 0.172
2 HA2 GLY 1 HA3 GLY 1 1.390 0.288 -2.577
3 HA3 GLY 1 HA2 GLY 1 3.029 0.927 -2.271
4 H LEU 2 H LEU 2 2.457 -1.436 -3.857
5 HA LEU 2 HA LEU 2 4.272 -3.266 -2.296
6 HB2 LEU 2 HB2 LEU 2 2.157 -3.984 -4.407
7 HB3 LEU 2 HB3 LEU 2 3.112 -5.146 -3.453
8 HG LEU 2 HG LEU 2 1.006 -3.205 -2.269
9 HD11 LEU 2 HD11 LEU 2 0.716 -6.187 -2.972
10 HD12 LEU 2 HD12 LEU 2 -0.083 -4.825 -3.813
11 HD13 LEU 2 HD13 LEU 2 -0.498 -5.188 -2.118
12 HD21 LEU 2 HD21 LEU 2 2.722 -3.976 -0.574
13 HD22 LEU 2 HD22 LEU 2 2.397 -5.670 -1.028
14 HD23 LEU 2 HD23 LEU 2 1.125 -4.684 -0.252
15 H SER 3 H SER 3 4.811 -0.867 -4.217
16 HA SER 3 HA SER 3 6.451 -2.327 -6.174
17 HB2 SER 3 HB2 SER 3 4.142 -0.523 -7.171
18 HB3 SER 3 HB3 SER 3 5.187 -1.594 -8.140
19 HG SER 3 HG SER 3 3.133 -2.497 -6.399
20 H GLN 4 H GLN 4 7.001 -0.216 -7.925
21 HA GLN 4 HA GLN 4 7.991 1.849 -6.074
22 HB2 GLN 4 HB2 GLN 4 9.795 2.188 -7.810
23 HB3 GLN 4 HB3 GLN 4 9.853 0.659 -6.943
24 HG2 GLN 4 HG2 GLN 4 8.348 0.692 -9.485
25 HG3 GLN 4 HG3 GLN 4 10.101 0.849 -9.589
26 HE21 GLN 4 HE21 GLN 4 8.039 -1.328 -10.191
27 HE22 GLN 4 HE22 GLN 4 8.723 -2.741 -9.470
28 H GLY 5 H GLY 5 5.320 2.186 -7.180
29 HA2 GLY 5 HA3 GLY 5 5.549 3.829 -9.575
30 HA3 GLY 5 HA2 GLY 5 4.129 3.631 -8.556
31 H VAL 6 H VAL 6 3.627 5.827 -8.246
32 HA VAL 6 HA VAL 6 5.752 7.634 -7.292
33 HB VAL 6 HB VAL 6 4.715 9.453 -8.391
34 HG11 VAL 6 HG11 VAL 6 4.473 7.118 -10.283
35 HG12 VAL 6 HG12 VAL 6 4.760 8.806 -10.709
36 HG13 VAL 6 HG13 VAL 6 5.993 7.893 -9.838
37 HG21 VAL 6 HG21 VAL 6 2.376 7.604 -8.807
38 HG22 VAL 6 HG22 VAL 6 2.419 9.108 -7.887
39 HG23 VAL 6 HG23 VAL 6 2.553 9.146 -9.645
40 H GLU 7 H GLU 7 2.537 6.250 -6.407
41 HA GLU 7 HA GLU 7 2.058 8.535 -4.580
42 HB2 GLU 7 HB2 GLU 7 -0.137 7.429 -4.152
43 HB3 GLU 7 HB3 GLU 7 0.092 8.165 -5.760
44 HG2 GLU 7 HG2 GLU 7 0.304 6.002 -6.860
45 HG3 GLU 7 HG3 GLU 7 0.369 5.147 -5.298
46 HA PRO 8 HA PRO 8 3.971 5.439 -1.819
47 HB2 PRO 8 HB2 PRO 8 4.256 6.886 0.513
48 HB3 PRO 8 HB3 PRO 8 5.195 7.290 -0.951
49 HG2 PRO 8 HG2 PRO 8 2.547 8.549 -0.090
50 HG3 PRO 8 HG3 PRO 8 4.074 9.417 -0.444
51 HD2 PRO 8 HD2 PRO 8 2.118 9.151 -2.353
52 HD3 PRO 8 HD3 PRO 8 3.853 8.953 -2.845
53 H ASP 9 H ASP 9 3.388 4.296 0.343
54 HA ASP 9 HA ASP 9 0.422 4.491 0.825
55 HB2 ASP 9 HB2 ASP 9 2.031 2.038 1.624
56 HB3 ASP 9 HB3 ASP 9 0.300 2.198 1.285
57 H ILE 10 H ILE 10 3.517 3.502 2.595
58 HA ILE 10 HA ILE 10 2.641 5.189 4.867
59 HB ILE 10 HB ILE 10 3.140 2.173 5.197
60 HG12 ILE 10 HG12 ILE 10 0.496 3.725 5.368
61 HG13 ILE 10 HG13 ILE 10 0.961 2.528 4.124
62 HG21 ILE 10 HG21 ILE 10 3.929 3.685 7.104
63 HG22 ILE 10 HG22 ILE 10 2.255 4.286 7.258
64 HG23 ILE 10 HG23 ILE 10 2.645 2.572 7.587
65 HD11 ILE 10 HD11 ILE 10 -0.505 1.401 5.674
66 HD12 ILE 10 HD12 ILE 10 1.140 0.753 5.930
67 HD13 ILE 10 HD13 ILE 10 0.433 1.924 7.089
68 H GLY 11 H GLY 11 5.152 2.543 4.094
69 HA2 GLY 11 HA3 GLY 11 7.120 4.237 5.531
70 HA3 GLY 11 HA2 GLY 11 7.329 2.573 4.982
71 H GLN 12 H GLN 12 8.485 2.302 2.951
72 HA GLN 12 HA GLN 12 8.651 4.739 1.187
73 HB2 GLN 12 HB2 GLN 12 10.653 4.319 2.769
74 HB3 GLN 12 HB3 GLN 12 10.961 2.819 1.858
75 HG2 GLN 12 HG2 GLN 12 11.207 4.228 -0.259
76 HG3 GLN 12 HG3 GLN 12 10.868 5.693 0.692
77 HE21 GLN 12 HE21 GLN 12 13.347 3.106 0.121
78 HE22 GLN 12 HE22 GLN 12 14.598 3.932 0.975
79 H THR 13 H THR 13 6.646 3.240 0.600
80 HA THR 13 HA THR 13 7.601 1.535 -1.659
81 HB THR 13 HB THR 13 7.119 -0.031 0.234
82 HG1 THR 13 HG1 THR 13 6.453 -0.697 -1.939
83 HG21 THR 13 HG21 THR 13 5.507 1.319 1.573
84 HG22 THR 13 HG22 THR 13 4.778 -0.239 1.111
85 HG23 THR 13 HG23 THR 13 4.312 1.249 0.245
86 H TYR 14 H TYR 14 5.798 1.282 -3.347
87 HA TYR 14 HA TYR 14 3.769 3.464 -3.108
88 HB2 TYR 14 HB2 TYR 14 5.945 3.133 -5.242
89 HB3 TYR 14 HB3 TYR 14 4.600 4.300 -5.375
90 HD1 TYR 14 HD1 TYR 14 7.691 3.281 -3.465
91 HD2 TYR 14 HD2 TYR 14 4.918 6.461 -4.263
92 HE1 TYR 14 HE1 TYR 14 9.056 4.806 -2.102
93 HE2 TYR 14 HE2 TYR 14 6.424 8.054 -3.127
94 HH TYR 14 HH TYR 14 9.367 7.058 -1.362
95 H PHE 15 H PHE 15 1.899 3.192 -4.566
96 HA PHE 15 HA PHE 15 1.490 0.371 -5.171
97 HB2 PHE 15 HB2 PHE 15 -0.276 2.810 -5.781
98 HB3 PHE 15 HB3 PHE 15 -0.730 1.141 -6.158
99 HD1 PHE 15 HD1 PHE 15 -0.940 -0.595 -4.362
100 HD2 PHE 15 HD2 PHE 15 -0.480 3.583 -3.418
101 HE1 PHE 15 HE1 PHE 15 -1.681 -1.034 -2.043
102 HE2 PHE 15 HE2 PHE 15 -1.285 3.149 -1.122
103 HZ PHE 15 HZ PHE 15 -1.841 0.834 -0.411
104 H GLU 16 H GLU 16 0.795 -0.444 -7.374
105 HA GLU 16 HA GLU 16 2.765 0.514 -9.327
106 HB2 GLU 16 HB2 GLU 16 2.186 -1.917 -8.886
107 HB3 GLU 16 HB3 GLU 16 0.594 -1.659 -9.638
108 HG2 GLU 16 HG2 GLU 16 1.669 -1.261 -11.837
109 HG3 GLU 16 HG3 GLU 16 3.288 -1.169 -11.078
110 H GLU 17 H GLU 17 2.001 1.071 -11.610
111 HA GLU 17 HA GLU 17 -0.505 2.601 -11.530
112 HB2 GLU 17 HB2 GLU 17 0.354 3.746 -13.545
113 HB3 GLU 17 HB3 GLU 17 1.429 3.916 -12.165
114 HG2 GLU 17 HG2 GLU 17 2.924 2.263 -13.053
115 HG3 GLU 17 HG3 GLU 17 1.808 1.906 -14.370
116 H SER 18 H SER 18 -0.692 -0.181 -11.731
117 HA SER 18 HA SER 18 -0.917 -1.056 -14.426
118 HB2 SER 18 HB2 SER 18 -2.333 -2.911 -13.319
119 HB3 SER 18 HB3 SER 18 -0.637 -2.781 -12.852
120 HG SER 18 HG SER 18 -2.747 -1.549 -11.416
121 H ARG 19 H ARG 19 -2.489 -0.739 -15.856
122 HA ARG 19 HA ARG 19 -4.863 0.726 -15.040
123 HB2 ARG 19 HB2 ARG 19 -3.421 0.238 -17.570
124 HB3 ARG 19 HB3 ARG 19 -5.170 0.356 -17.712
125 HG2 ARG 19 HG2 ARG 19 -5.042 2.534 -16.496
126 HG3 ARG 19 HG3 ARG 19 -3.285 2.420 -16.605
127 HD2 ARG 19 HD2 ARG 19 -3.382 3.333 -18.626
128 HD3 ARG 19 HD3 ARG 19 -4.289 1.930 -19.189
129 HE ARG 19 HE ARG 19 -6.047 3.700 -17.901
130 HH11 ARG 19 HH11 ARG 19 -4.123 3.463 -20.793
131 HH12 ARG 19 HH12 ARG 19 -5.169 4.479 -21.729
132 HH21 ARG 19 HH21 ARG 19 -7.432 5.039 -19.123
133 HH22 ARG 19 HH22 ARG 19 -7.050 5.376 -20.777
Start of MODEL 19
1 H1 GLY 1 H GLY 1 1.596 0.056 -0.031
2 HA2 GLY 1 HA3 GLY 1 1.371 0.473 -2.791
3 HA3 GLY 1 HA2 GLY 1 3.016 0.992 -2.327
4 H LEU 2 H LEU 2 2.453 -1.196 -4.136
5 HA LEU 2 HA LEU 2 4.051 -3.245 -2.610
6 HB2 LEU 2 HB2 LEU 2 2.025 -3.670 -4.882
7 HB3 LEU 2 HB3 LEU 2 2.862 -4.961 -3.983
8 HG LEU 2 HG LEU 2 0.809 -3.006 -2.734
9 HD11 LEU 2 HD11 LEU 2 -0.289 -4.421 -4.462
10 HD12 LEU 2 HD12 LEU 2 -0.807 -4.902 -2.826
11 HD13 LEU 2 HD13 LEU 2 0.389 -5.894 -3.710
12 HD21 LEU 2 HD21 LEU 2 1.996 -5.647 -1.654
13 HD22 LEU 2 HD22 LEU 2 0.743 -4.656 -0.853
14 HD23 LEU 2 HD23 LEU 2 2.392 -4.020 -1.038
15 H SER 3 H SER 3 4.840 -0.760 -4.325
16 HA SER 3 HA SER 3 6.522 -2.146 -6.296
17 HB2 SER 3 HB2 SER 3 4.142 -0.359 -7.128
18 HB3 SER 3 HB3 SER 3 5.258 -1.154 -8.268
19 HG SER 3 HG SER 3 4.412 -3.204 -7.452
20 H GLN 4 H GLN 4 7.163 0.061 -7.917
21 HA GLN 4 HA GLN 4 8.154 1.956 -5.892
22 HB2 GLN 4 HB2 GLN 4 10.056 2.323 -7.495
23 HB3 GLN 4 HB3 GLN 4 9.990 0.719 -6.778
24 HG2 GLN 4 HG2 GLN 4 9.527 -0.298 -8.744
25 HG3 GLN 4 HG3 GLN 4 8.624 1.079 -9.373
26 HE21 GLN 4 HE21 GLN 4 9.547 1.968 -11.061
27 HE22 GLN 4 HE22 GLN 4 11.244 2.099 -11.352
28 H GLY 5 H GLY 5 5.550 2.481 -7.086
29 HA2 GLY 5 HA3 GLY 5 5.953 4.270 -9.348
30 HA3 GLY 5 HA2 GLY 5 4.482 4.064 -8.408
31 H VAL 6 H VAL 6 4.059 6.257 -7.974
32 HA VAL 6 HA VAL 6 6.211 7.902 -6.810
33 HB VAL 6 HB VAL 6 5.301 9.832 -7.827
34 HG11 VAL 6 HG11 VAL 6 5.764 9.417 -10.033
35 HG12 VAL 6 HG12 VAL 6 6.435 7.963 -9.291
36 HG13 VAL 6 HG13 VAL 6 4.847 7.912 -10.058
37 HG21 VAL 6 HG21 VAL 6 2.882 8.128 -8.223
38 HG22 VAL 6 HG22 VAL 6 3.011 9.762 -7.572
39 HG23 VAL 6 HG23 VAL 6 3.173 9.489 -9.307
40 H GLU 7 H GLU 7 2.923 6.586 -6.132
41 HA GLU 7 HA GLU 7 2.446 8.776 -4.189
42 HB2 GLU 7 HB2 GLU 7 0.191 7.719 -3.927
43 HB3 GLU 7 HB3 GLU 7 0.513 8.597 -5.445
44 HG2 GLU 7 HG2 GLU 7 0.716 6.549 -6.741
45 HG3 GLU 7 HG3 GLU 7 0.655 5.542 -5.266
46 HA PRO 8 HA PRO 8 4.090 5.410 -1.578
47 HB2 PRO 8 HB2 PRO 8 4.382 6.685 0.844
48 HB3 PRO 8 HB3 PRO 8 5.392 7.119 -0.565
49 HG2 PRO 8 HG2 PRO 8 2.801 8.483 0.303
50 HG3 PRO 8 HG3 PRO 8 4.388 9.277 0.045
51 HD2 PRO 8 HD2 PRO 8 2.479 9.249 -1.930
52 HD3 PRO 8 HD3 PRO 8 4.214 8.981 -2.382
53 H ASP 9 H ASP 9 3.343 4.139 0.446
54 HA ASP 9 HA ASP 9 0.377 4.477 0.823
55 HB2 ASP 9 HB2 ASP 9 1.824 1.907 1.551
56 HB3 ASP 9 HB3 ASP 9 0.122 2.170 1.134
57 H ILE 10 H ILE 10 3.338 3.244 2.665
58 HA ILE 10 HA ILE 10 2.411 4.815 5.002
59 HB ILE 10 HB ILE 10 2.828 1.771 5.151
60 HG12 ILE 10 HG12 ILE 10 0.213 3.378 5.328
61 HG13 ILE 10 HG13 ILE 10 0.701 2.266 4.015
62 HG21 ILE 10 HG21 ILE 10 3.576 3.131 7.183
63 HG22 ILE 10 HG22 ILE 10 1.909 3.766 7.311
64 HG23 ILE 10 HG23 ILE 10 2.243 2.021 7.537
65 HD11 ILE 10 HD11 ILE 10 -0.850 1.067 5.422
66 HD12 ILE 10 HD12 ILE 10 0.767 0.357 5.685
67 HD13 ILE 10 HD13 ILE 10 0.047 1.454 6.905
68 H GLY 11 H GLY 11 4.892 2.163 4.163
69 HA2 GLY 11 HA3 GLY 11 6.846 3.745 5.753
70 HA3 GLY 11 HA2 GLY 11 7.013 2.082 5.188
71 H GLN 12 H GLN 12 8.292 1.818 3.242
72 HA GLN 12 HA GLN 12 8.663 4.278 1.539
73 HB2 GLN 12 HB2 GLN 12 10.557 3.766 3.143
74 HB3 GLN 12 HB3 GLN 12 10.761 2.182 2.353
75 HG2 GLN 12 HG2 GLN 12 11.322 3.358 0.182
76 HG3 GLN 12 HG3 GLN 12 10.969 4.932 0.935
77 HE21 GLN 12 HE21 GLN 12 13.122 1.980 1.418
78 HE22 GLN 12 HE22 GLN 12 14.438 2.898 2.050
79 H THR 13 H THR 13 6.590 2.985 0.785
80 HA THR 13 HA THR 13 7.535 1.328 -1.506
81 HB THR 13 HB THR 13 6.882 -0.313 0.268
82 HG1 THR 13 HG1 THR 13 6.279 -0.814 -1.964
83 HG21 THR 13 HG21 THR 13 4.154 1.125 0.234
84 HG22 THR 13 HG22 THR 13 5.290 1.057 1.613
85 HG23 THR 13 HG23 THR 13 4.492 -0.431 1.039
86 H TYR 14 H TYR 14 5.805 1.291 -3.282
87 HA TYR 14 HA TYR 14 3.872 3.550 -2.981
88 HB2 TYR 14 HB2 TYR 14 6.108 3.238 -5.049
89 HB3 TYR 14 HB3 TYR 14 4.826 4.473 -5.163
90 HD1 TYR 14 HD1 TYR 14 7.786 3.203 -3.195
91 HD2 TYR 14 HD2 TYR 14 5.190 6.547 -3.909
92 HE1 TYR 14 HE1 TYR 14 9.199 4.617 -1.746
93 HE2 TYR 14 HE2 TYR 14 6.728 8.015 -2.678
94 HH TYR 14 HH TYR 14 8.694 8.128 -1.328
95 H PHE 15 H PHE 15 2.045 3.452 -4.504
96 HA PHE 15 HA PHE 15 1.541 0.709 -5.340
97 HB2 PHE 15 HB2 PHE 15 -0.077 3.265 -5.857
98 HB3 PHE 15 HB3 PHE 15 -0.591 1.651 -6.365
99 HD1 PHE 15 HD1 PHE 15 -0.905 -0.204 -4.684
100 HD2 PHE 15 HD2 PHE 15 -0.440 3.907 -3.487
101 HE1 PHE 15 HE1 PHE 15 -1.755 -0.763 -2.430
102 HE2 PHE 15 HE2 PHE 15 -1.347 3.353 -1.254
103 HZ PHE 15 HZ PHE 15 -1.964 1.012 -0.703
104 H GLU 16 H GLU 16 0.895 0.121 -7.638
105 HA GLU 16 HA GLU 16 3.003 1.207 -9.419
106 HB2 GLU 16 HB2 GLU 16 2.476 -1.273 -8.933
107 HB3 GLU 16 HB3 GLU 16 1.043 -1.112 -9.962
108 HG2 GLU 16 HG2 GLU 16 2.450 -0.858 -11.950
109 HG3 GLU 16 HG3 GLU 16 3.881 -0.408 -10.973
110 H GLU 17 H GLU 17 2.121 1.409 -11.850
111 HA GLU 17 HA GLU 17 -0.254 3.136 -11.743
112 HB2 GLU 17 HB2 GLU 17 0.537 4.003 -13.933
113 HB3 GLU 17 HB3 GLU 17 1.689 4.257 -12.629
114 HG2 GLU 17 HG2 GLU 17 3.002 2.362 -13.393
115 HG3 GLU 17 HG3 GLU 17 1.834 2.057 -14.678
116 H SER 18 H SER 18 -0.662 0.376 -11.667
117 HA SER 18 HA SER 18 -1.141 -0.720 -14.245
118 HB2 SER 18 HB2 SER 18 -1.669 -2.612 -13.119
119 HB3 SER 18 HB3 SER 18 -1.047 -1.749 -11.712
120 HG SER 18 HG SER 18 -3.052 -2.432 -11.144
121 H ARG 19 H ARG 19 -3.108 -1.051 -15.324
122 HA ARG 19 HA ARG 19 -4.979 1.118 -15.040
123 HB2 ARG 19 HB2 ARG 19 -4.193 -0.686 -17.102
124 HB3 ARG 19 HB3 ARG 19 -5.930 -0.839 -16.879
125 HG2 ARG 19 HG2 ARG 19 -6.161 1.593 -17.154
126 HG3 ARG 19 HG3 ARG 19 -4.423 1.706 -17.439
127 HD2 ARG 19 HD2 ARG 19 -4.691 1.166 -19.578
128 HD3 ARG 19 HD3 ARG 19 -5.556 -0.306 -19.136
129 HE ARG 19 HE ARG 19 -7.432 1.619 -18.849
130 HH11 ARG 19 HH11 ARG 19 -5.264 0.762 -21.435
131 HH12 ARG 19 HH12 ARG 19 -6.335 1.301 -22.686
132 HH21 ARG 19 HH21 ARG 19 -8.850 2.332 -20.487
133 HH22 ARG 19 HH22 ARG 19 -8.374 2.195 -22.145
Start of MODEL 20
1 H1 GLY 1 H GLY 1 1.661 0.100 0.123
2 HA2 GLY 1 HA3 GLY 1 1.221 0.373 -2.621
3 HA3 GLY 1 HA2 GLY 1 2.864 0.998 -2.322
4 H LEU 2 H LEU 2 2.319 -1.298 -3.967
5 HA LEU 2 HA LEU 2 4.183 -3.131 -2.467
6 HB2 LEU 2 HB2 LEU 2 2.044 -3.840 -4.558
7 HB3 LEU 2 HB3 LEU 2 3.099 -5.012 -3.729
8 HG LEU 2 HG LEU 2 0.970 -3.275 -2.312
9 HD11 LEU 2 HD11 LEU 2 -0.110 -4.856 -3.911
10 HD12 LEU 2 HD12 LEU 2 -0.413 -5.362 -2.229
11 HD13 LEU 2 HD13 LEU 2 0.811 -6.219 -3.211
12 HD21 LEU 2 HD21 LEU 2 1.273 -4.911 -0.420
13 HD22 LEU 2 HD22 LEU 2 2.789 -4.047 -0.749
14 HD23 LEU 2 HD23 LEU 2 2.579 -5.723 -1.329
15 H SER 3 H SER 3 4.638 -0.674 -4.342
16 HA SER 3 HA SER 3 6.356 -2.080 -6.281
17 HB2 SER 3 HB2 SER 3 4.020 -0.286 -7.238
18 HB3 SER 3 HB3 SER 3 5.135 -1.233 -8.255
19 HG SER 3 HG SER 3 3.108 -2.370 -6.619
20 H GLN 4 H GLN 4 7.043 -0.009 -7.937
21 HA GLN 4 HA GLN 4 7.945 2.044 -6.033
22 HB2 GLN 4 HB2 GLN 4 9.801 2.437 -7.634
23 HB3 GLN 4 HB3 GLN 4 9.788 0.806 -6.977
24 HG2 GLN 4 HG2 GLN 4 8.252 0.808 -9.362
25 HG3 GLN 4 HG3 GLN 4 9.781 1.625 -9.685
26 HE21 GLN 4 HE21 GLN 4 10.660 0.032 -10.929
27 HE22 GLN 4 HE22 GLN 4 11.111 -1.519 -10.315
28 H GLY 5 H GLY 5 5.279 2.328 -7.207
29 HA2 GLY 5 HA3 GLY 5 5.491 4.050 -9.526
30 HA3 GLY 5 HA2 GLY 5 4.074 3.824 -8.508
31 H VAL 6 H VAL 6 3.550 6.000 -8.068
32 HA VAL 6 HA VAL 6 5.690 7.802 -7.137
33 HB VAL 6 HB VAL 6 4.647 9.639 -8.197
34 HG11 VAL 6 HG11 VAL 6 5.700 7.612 -9.624
35 HG12 VAL 6 HG12 VAL 6 4.110 7.730 -10.379
36 HG13 VAL 6 HG13 VAL 6 5.173 9.137 -10.334
37 HG21 VAL 6 HG21 VAL 6 2.296 7.803 -8.492
38 HG22 VAL 6 HG22 VAL 6 2.368 9.404 -7.757
39 HG23 VAL 6 HG23 VAL 6 2.472 9.233 -9.509
40 H GLU 7 H GLU 7 2.475 6.403 -6.235
41 HA GLU 7 HA GLU 7 2.024 8.674 -4.378
42 HB2 GLU 7 HB2 GLU 7 -0.181 7.539 -3.958
43 HB3 GLU 7 HB3 GLU 7 0.035 8.376 -5.519
44 HG2 GLU 7 HG2 GLU 7 0.261 6.299 -6.755
45 HG3 GLU 7 HG3 GLU 7 0.294 5.333 -5.249
46 HA PRO 8 HA PRO 8 3.911 5.483 -1.712
47 HB2 PRO 8 HB2 PRO 8 4.283 6.868 0.641
48 HB3 PRO 8 HB3 PRO 8 5.209 7.259 -0.838
49 HG2 PRO 8 HG2 PRO 8 2.628 8.605 0.091
50 HG3 PRO 8 HG3 PRO 8 4.182 9.421 -0.274
51 HD2 PRO 8 HD2 PRO 8 2.196 9.267 -2.157
52 HD3 PRO 8 HD3 PRO 8 3.912 8.993 -2.679
53 H ASP 9 H ASP 9 3.316 4.242 0.362
54 HA ASP 9 HA ASP 9 0.375 4.516 0.926
55 HB2 ASP 9 HB2 ASP 9 1.937 2.003 1.622
56 HB3 ASP 9 HB3 ASP 9 0.204 2.212 1.319
57 H ILE 10 H ILE 10 3.480 3.404 2.595
58 HA ILE 10 HA ILE 10 2.683 5.007 4.954
59 HB ILE 10 HB ILE 10 3.172 1.977 5.156
60 HG12 ILE 10 HG12 ILE 10 0.533 3.520 5.461
61 HG13 ILE 10 HG13 ILE 10 0.967 2.396 4.139
62 HG21 ILE 10 HG21 ILE 10 2.332 4.008 7.315
63 HG22 ILE 10 HG22 ILE 10 2.736 2.282 7.565
64 HG23 ILE 10 HG23 ILE 10 4.006 3.422 7.097
65 HD11 ILE 10 HD11 ILE 10 0.531 1.615 7.078
66 HD12 ILE 10 HD12 ILE 10 -0.458 1.184 5.668
67 HD13 ILE 10 HD13 ILE 10 1.192 0.519 5.823
68 H GLY 11 H GLY 11 5.135 2.370 3.997
69 HA2 GLY 11 HA3 GLY 11 7.197 4.029 5.362
70 HA3 GLY 11 HA2 GLY 11 7.333 2.348 4.837
71 H GLN 12 H GLN 12 8.727 2.177 2.962
72 HA GLN 12 HA GLN 12 8.767 4.555 1.109
73 HB2 GLN 12 HB2 GLN 12 10.847 4.028 2.516
74 HB3 GLN 12 HB3 GLN 12 10.975 2.490 1.627
75 HG2 GLN 12 HG2 GLN 12 11.104 3.868 -0.553
76 HG3 GLN 12 HG3 GLN 12 11.034 5.350 0.429
77 HE21 GLN 12 HE21 GLN 12 12.998 2.296 -0.079
78 HE22 GLN 12 HE22 GLN 12 14.479 3.003 0.454
79 H THR 13 H THR 13 6.640 3.195 0.550
80 HA THR 13 HA THR 13 7.432 1.533 -1.794
81 HB THR 13 HB THR 13 6.972 -0.104 0.058
82 HG1 THR 13 HG1 THR 13 6.222 -0.653 -2.123
83 HG21 THR 13 HG21 THR 13 4.668 -0.282 1.008
84 HG22 THR 13 HG22 THR 13 4.198 1.241 0.206
85 HG23 THR 13 HG23 THR 13 5.441 1.250 1.492
86 H TYR 14 H TYR 14 5.579 1.431 -3.428
87 HA TYR 14 HA TYR 14 3.553 3.554 -2.962
88 HB2 TYR 14 HB2 TYR 14 5.504 3.511 -5.321
89 HB3 TYR 14 HB3 TYR 14 4.264 4.748 -5.044
90 HD1 TYR 14 HD2 TYR 14 7.439 3.154 -3.749
91 HD2 TYR 14 HD1 TYR 14 5.030 6.719 -3.781
92 HE1 TYR 14 HE2 TYR 14 9.203 4.347 -2.527
93 HE2 TYR 14 HE1 TYR 14 6.875 7.960 -2.706
94 HH TYR 14 HH TYR 14 10.059 6.570 -2.054
95 H PHE 15 H PHE 15 1.642 3.351 -4.381
96 HA PHE 15 HA PHE 15 1.333 0.606 -5.290
97 HB2 PHE 15 HB2 PHE 15 -0.529 3.022 -5.643
98 HB3 PHE 15 HB3 PHE 15 -0.922 1.383 -6.182
99 HD1 PHE 15 HD2 PHE 15 -1.042 -0.527 -4.554
100 HD2 PHE 15 HD1 PHE 15 -0.767 3.563 -3.233
101 HE1 PHE 15 HE2 PHE 15 -1.718 -1.217 -2.277
102 HE2 PHE 15 HE1 PHE 15 -1.488 2.873 -0.969
103 HZ PHE 15 HZ PHE 15 -1.919 0.479 -0.472
104 H GLU 16 H GLU 16 0.712 -0.014 -7.557
105 HA GLU 16 HA GLU 16 2.563 1.349 -9.419
106 HB2 GLU 16 HB2 GLU 16 2.389 -1.163 -9.027
107 HB3 GLU 16 HB3 GLU 16 0.825 -1.164 -9.867
108 HG2 GLU 16 HG2 GLU 16 1.926 -0.642 -11.997
109 HG3 GLU 16 HG3 GLU 16 3.431 -0.129 -11.169
110 H GLU 17 H GLU 17 1.596 1.631 -11.771
111 HA GLU 17 HA GLU 17 -0.990 2.995 -11.508
112 HB2 GLU 17 HB2 GLU 17 -0.389 4.108 -13.637
113 HB3 GLU 17 HB3 GLU 17 0.781 4.406 -12.359
114 HG2 GLU 17 HG2 GLU 17 2.305 2.810 -13.309
115 HG3 GLU 17 HG3 GLU 17 1.115 2.342 -14.522
116 H SER 18 H SER 18 -1.021 0.201 -11.609
117 HA SER 18 HA SER 18 -1.435 -0.780 -14.244
118 HB2 SER 18 HB2 SER 18 -1.908 -1.807 -11.483
119 HB3 SER 18 HB3 SER 18 -2.747 -2.601 -12.815
120 HG SER 18 HG SER 18 -0.886 -3.658 -12.819
121 H ARG 19 H ARG 19 -3.357 -1.255 -15.322
122 HA ARG 19 HA ARG 19 -5.652 0.361 -14.453
123 HB2 ARG 19 HB2 ARG 19 -4.578 -0.448 -17.114
124 HB3 ARG 19 HB3 ARG 19 -6.313 -0.206 -16.963
125 HG2 ARG 19 HG2 ARG 19 -5.973 2.065 -16.221
126 HG3 ARG 19 HG3 ARG 19 -4.224 1.834 -16.233
127 HD2 ARG 19 HD2 ARG 19 -5.607 1.201 -18.754
128 HD3 ARG 19 HD3 ARG 19 -5.635 2.899 -18.280
129 HE ARG 19 HE ARG 19 -3.023 1.742 -18.108
130 HH11 ARG 19 HH11 ARG 19 -5.345 3.183 -20.265
131 HH12 ARG 19 HH12 ARG 19 -4.151 3.726 -21.397
132 HH21 ARG 19 HH21 ARG 19 -1.442 2.451 -19.591
133 HH22 ARG 19 HH22 ARG 19 -1.932 3.308 -21.014