NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
593173 |
2mpj   |
19986 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 HT1 ASN 1 8.283 3.577 -2.729
2 H2 ASN 1 HT2 ASN 1 6.926 4.342 -2.075
3 H3 ASN 1 HT3 ASN 1 8.294 4.085 -1.118
4 HA ASN 1 HA ASN 1 8.211 5.799 -3.534
5 HB2 ASN 1 HB2 ASN 1 8.173 6.572 -0.606
6 HB3 ASN 1 HB1 ASN 1 8.399 7.700 -1.935
7 HD21 ASN 1 HD21 ASN 1 6.574 8.873 -1.447
8 HD22 ASN 1 HD22 ASN 1 4.975 8.258 -1.689
9 H ARG 2 HN ARG 2 9.947 5.793 -0.438
10 HA ARG 2 HA ARG 2 12.453 6.069 -1.945
11 HB2 ARG 2 HB2 ARG 2 13.361 7.064 0.105
12 HB3 ARG 2 HB1 ARG 2 11.911 7.910 -0.416
13 HG2 ARG 2 HG2 ARG 2 10.631 6.527 1.237
14 HG3 ARG 2 HG1 ARG 2 12.183 5.954 1.849
15 HD2 ARG 2 HD2 ARG 2 11.252 8.821 1.748
16 HD3 ARG 2 HD1 ARG 2 11.338 7.810 3.188
17 HE ARG 2 HE ARG 2 13.871 7.936 1.944
18 HH11 ARG 2 HH11 ARG 2 11.638 9.885 3.806
19 HH12 ARG 2 HH12 ARG 2 12.884 10.861 4.522
20 HH21 ARG 2 HH21 ARG 2 15.514 9.240 2.868
21 HH22 ARG 2 HH22 ARG 2 15.082 10.489 3.992
22 H SER 3 HN SER 3 10.807 3.639 -0.912
23 HA SER 3 HA SER 3 13.119 2.075 -0.110
24 HB2 SER 3 HB2 SER 3 12.024 2.924 2.002
25 HB3 SER 3 HB1 SER 3 10.562 2.063 1.526
26 HG SER 3 HG SER 3 12.223 1.017 3.000
27 H GLY 4 HN GLY 4 12.024 -0.321 0.317
28 HA2 GLY 4 HA2 GLY 4 10.756 -0.920 -2.245
29 HA3 GLY 4 HA1 GLY 4 11.419 -2.091 -1.111
30 H ASP 5 HN ASP 5 9.096 0.510 -0.550
31 HA ASP 5 HA ASP 5 7.382 -1.261 0.912
32 HB2 ASP 5 HB2 ASP 5 5.913 0.810 1.077
33 HB3 ASP 5 HB1 ASP 5 7.522 0.935 1.777
34 H THR 6 HN THR 6 7.199 -2.660 -1.041
35 HA THR 6 HA THR 6 5.132 -1.856 -2.915
36 HB THR 6 HB THR 6 6.364 -4.605 -2.577
37 HG1 THR 6 HG1 THR 6 7.281 -2.272 -3.864
38 HG21 THR 6 HG21 THR 6 4.965 -3.289 -4.909
39 HG22 THR 6 HG22 THR 6 4.292 -4.549 -3.878
40 HG23 THR 6 HG23 THR 6 5.677 -4.902 -4.911
41 H CYS 7 HN CYS 7 3.083 -1.978 -2.378
42 HA CYS 7 HA CYS 7 2.243 -3.265 0.043
43 HB2 CYS 7 HB2 CYS 7 1.438 -1.043 -1.120
44 HB3 CYS 7 HB1 CYS 7 0.351 -2.135 -1.972
45 H PHE 8 HN PHE 8 2.239 -5.438 -0.088
46 HA PHE 8 HA PHE 8 1.754 -6.852 -2.492
47 HB2 PHE 8 HB2 PHE 8 1.865 -8.876 -0.962
48 HB3 PHE 8 HB1 PHE 8 3.280 -7.835 -0.988
49 HD1 PHE 8 HD2 PHE 8 0.277 -8.745 0.967
50 HD2 PHE 8 HD1 PHE 8 4.051 -6.777 0.975
51 HE1 PHE 8 HE2 PHE 8 0.165 -8.546 3.413
52 HE2 PHE 8 HE1 PHE 8 3.941 -6.573 3.422
53 HZ PHE 8 HZ PHE 8 1.997 -7.457 4.645
54 H ARG 9 HN ARG 9 -0.407 -5.701 -0.086
55 HA ARG 9 HA ARG 9 -2.326 -7.811 -0.380
56 HB2 ARG 9 HB2 ARG 9 -2.096 -5.421 1.249
57 HB3 ARG 9 HB1 ARG 9 -3.726 -5.640 0.632
58 HG2 ARG 9 HG2 ARG 9 -3.639 -7.991 1.503
59 HG3 ARG 9 HG1 ARG 9 -2.125 -7.561 2.299
60 HD2 ARG 9 HD2 ARG 9 -4.047 -7.376 3.818
61 HD3 ARG 9 HD1 ARG 9 -3.253 -5.821 3.563
62 HE ARG 9 HE ARG 9 -5.358 -6.106 1.709
63 HH11 ARG 9 HH11 ARG 9 -4.837 -5.613 5.136
64 HH12 ARG 9 HH12 ARG 9 -6.317 -4.741 5.369
65 HH21 ARG 9 HH21 ARG 9 -7.310 -4.962 2.006
66 HH22 ARG 9 HH22 ARG 9 -7.729 -4.369 3.582
67 H CYS 10 HN CYS 10 -1.967 -4.578 -1.768
68 HA CYS 10 HA CYS 10 -4.410 -5.071 -3.320
69 HB2 CYS 10 HB2 CYS 10 -4.350 -2.642 -3.822
70 HB3 CYS 10 HB1 CYS 10 -4.444 -2.981 -2.097
71 H GLY 11 HN GLY 11 -1.016 -4.984 -3.563
72 HA2 GLY 11 HA2 GLY 11 0.196 -5.697 -5.451
73 HA3 GLY 11 HA1 GLY 11 -1.196 -5.331 -6.459
74 H GLY 12 HN GLY 12 -0.914 -2.762 -4.481
75 HA2 GLY 12 HA2 GLY 12 0.481 -1.205 -6.520
76 HA3 GLY 12 HA1 GLY 12 -0.499 -0.565 -5.208
77 H MET 13 HN MET 13 1.304 0.910 -4.897
78 HA MET 13 HA MET 13 3.094 -0.174 -2.880
79 HB2 MET 13 HB2 MET 13 5.105 0.765 -3.860
80 HB3 MET 13 HB1 MET 13 4.364 -0.336 -5.010
81 HG2 MET 13 HG2 MET 13 3.474 1.509 -6.277
82 HG3 MET 13 HG1 MET 13 4.074 2.658 -5.082
83 HE1 MET 13 HE1 MET 13 5.183 4.003 -7.118
84 HE2 MET 13 HE2 MET 13 4.627 2.782 -8.261
85 HE3 MET 13 HE3 MET 13 6.318 3.280 -8.257
86 H GLY 14 HN GLY 14 4.313 1.717 -1.789
87 HA2 GLY 14 HA2 GLY 14 4.476 4.074 -1.409
88 HA3 GLY 14 HA1 GLY 14 2.909 4.273 -2.177
89 H HIS 15 HN HIS 15 1.973 1.877 -0.538
90 HA HIS 15 HA HIS 15 1.866 3.143 2.090
91 HB2 HIS 15 HB2 HIS 15 -0.528 2.892 2.279
92 HB3 HIS 15 HB1 HIS 15 -0.164 3.856 0.858
93 HD1 HIS 15 HD1 HIS 15 -0.196 2.213 -1.491
94 HD2 HIS 15 HD2 HIS 15 -2.415 1.103 1.847
95 HE1 HIS 15 HE1 HIS 15 -1.996 0.616 -2.314
96 H TRP 16 HN TRP 16 0.834 1.630 3.714
97 HA TRP 16 HA TRP 16 2.101 -0.961 3.368
98 HB2 TRP 16 HB2 TRP 16 2.560 0.250 5.441
99 HB3 TRP 16 HB1 TRP 16 0.838 0.338 5.796
100 HD1 TRP 16 HD1 TRP 16 -0.203 -1.635 7.103
101 HE1 TRP 16 HE1 TRP 16 0.665 -3.887 7.991
102 HE3 TRP 16 HE3 TRP 16 4.376 -1.703 4.819
103 HZ2 TRP 16 HZ2 TRP 16 2.986 -5.476 7.764
104 HZ3 TRP 16 HZ3 TRP 16 5.853 -3.626 5.211
105 HH2 TRP 16 HH2 TRP 16 5.175 -5.471 6.654
106 H ALA 17 HN ALA 17 1.058 -2.897 3.759
107 HA ALA 17 HA ALA 17 -1.131 -3.337 2.198
108 HB1 ALA 17 HB1 ALA 17 0.496 -5.027 2.838
109 HB2 ALA 17 HB2 ALA 17 -1.156 -5.586 3.108
110 HB3 ALA 17 HB3 ALA 17 -0.170 -5.056 4.471
111 H SER 18 HN SER 18 -1.204 -2.506 5.609
112 HA SER 18 HA SER 18 -3.915 -3.434 5.939
113 HB2 SER 18 HB2 SER 18 -2.281 -1.696 7.799
114 HB3 SER 18 HB1 SER 18 -3.723 -2.624 8.207
115 HG SER 18 HG SER 18 -2.317 -4.467 7.334
116 H GLN 19 HN GLN 19 -2.655 -0.798 4.396
117 HA GLN 19 HA GLN 19 -4.854 0.966 5.249
118 HB2 GLN 19 HB2 GLN 19 -2.158 1.686 4.095
119 HB3 GLN 19 HB1 GLN 19 -3.433 2.840 4.455
120 HG2 GLN 19 HG2 GLN 19 -2.020 1.084 6.449
121 HG3 GLN 19 HG1 GLN 19 -1.743 2.806 6.197
122 HE21 GLN 19 HE21 GLN 19 -3.360 4.282 6.817
123 HE22 GLN 19 HE22 GLN 19 -4.570 3.848 7.972
124 H CYS 20 HN CYS 20 -4.667 -1.157 3.031
125 HA CYS 20 HA CYS 20 -4.831 0.242 0.569
126 HB2 CYS 20 HB2 CYS 20 -6.083 -2.415 1.292
127 HB3 CYS 20 HB1 CYS 20 -5.761 -1.822 -0.331
128 HA PRO 21 HA PRO 21 -8.973 1.869 0.999
129 HB2 PRO 21 HB2 PRO 21 -9.439 2.445 -1.614
130 HB3 PRO 21 HB1 PRO 21 -8.396 3.433 -0.586
131 HG2 PRO 21 HG2 PRO 21 -7.653 1.349 -2.597
132 HG3 PRO 21 HG1 PRO 21 -6.899 2.923 -2.283
133 HD2 PRO 21 HD2 PRO 21 -5.880 0.574 -1.355
134 HD3 PRO 21 HD1 PRO 21 -5.678 2.121 -0.507
135 H GLY 22 HN GLY 22 -10.704 0.598 1.329
136 HA2 GLY 22 HA2 GLY 22 -11.819 -0.935 -0.837
137 HA3 GLY 22 HA1 GLY 22 -11.122 -1.936 0.422
138 H SER 23 HN SER 23 -12.213 0.738 1.999
139 HA SER 23 HA SER 23 -14.449 -0.592 3.109
140 HB2 SER 23 HB2 SER 23 -13.794 2.364 3.239
141 HB3 SER 23 HB1 SER 23 -14.818 1.461 4.354
142 HG SER 23 HG SER 23 -12.658 0.128 4.444
143 H VAL 24 HN VAL 24 -14.257 2.326 1.091
144 HA VAL 24 HA VAL 24 -16.785 1.502 -0.175
145 HB VAL 24 HB VAL 24 -15.715 4.329 0.063
146 HG11 VAL 24 HG11 VAL 24 -16.961 3.971 -1.994
147 HG12 VAL 24 HG12 VAL 24 -17.877 4.989 -0.881
148 HG13 VAL 24 HG13 VAL 24 -18.305 3.289 -1.078
149 HG21 VAL 24 HG21 VAL 24 -16.530 3.504 2.207
150 HG22 VAL 24 HG22 VAL 24 -18.050 3.019 1.455
151 HG23 VAL 24 HG23 VAL 24 -17.617 4.727 1.551
152 HA PRO 25 HA PRO 25 -13.622 0.717 -3.355
153 HB2 PRO 25 HB2 PRO 25 -16.083 -0.164 -4.769
154 HB3 PRO 25 HB1 PRO 25 -14.542 -1.003 -4.564
155 HG2 PRO 25 HG2 PRO 25 -16.693 -1.737 -3.173
156 HG3 PRO 25 HG1 PRO 25 -15.080 -1.739 -2.432
157 HD2 PRO 25 HD2 PRO 25 -17.314 0.219 -2.105
158 HD3 PRO 25 HD1 PRO 25 -16.155 -0.381 -0.901
Start of MODEL 2
1 H1 ASN 1 HT1 ASN 1 14.792 7.820 4.006
2 H2 ASN 1 HT2 ASN 1 15.528 8.925 2.963
3 H3 ASN 1 HT3 ASN 1 15.391 7.300 2.513
4 HA ASN 1 HA ASN 1 13.142 9.176 2.930
5 HB2 ASN 1 HB2 ASN 1 14.241 7.957 0.384
6 HB3 ASN 1 HB1 ASN 1 12.803 8.963 0.497
7 HD21 ASN 1 HD21 ASN 1 15.266 9.355 -1.010
8 HD22 ASN 1 HD22 ASN 1 15.888 10.885 -0.506
9 H ARG 2 HN ARG 2 11.107 8.230 1.999
10 HA ARG 2 HA ARG 2 11.015 5.346 2.569
11 HB2 ARG 2 HB2 ARG 2 8.969 7.490 3.114
12 HB3 ARG 2 HB1 ARG 2 8.597 5.774 3.174
13 HG2 ARG 2 HG2 ARG 2 10.604 7.218 4.887
14 HG3 ARG 2 HG1 ARG 2 9.018 6.636 5.394
15 HD2 ARG 2 HD2 ARG 2 11.408 5.000 4.561
16 HD3 ARG 2 HD1 ARG 2 10.634 5.053 6.144
17 HE ARG 2 HE ARG 2 8.732 4.228 4.263
18 HH11 ARG 2 HH11 ARG 2 11.652 3.062 5.793
19 HH12 ARG 2 HH12 ARG 2 11.249 1.389 5.574
20 HH21 ARG 2 HH21 ARG 2 8.177 2.052 3.986
21 HH22 ARG 2 HH22 ARG 2 9.264 0.813 4.550
22 H SER 3 HN SER 3 11.462 4.941 0.323
23 HA SER 3 HA SER 3 9.036 5.255 -1.313
24 HB2 SER 3 HB2 SER 3 10.976 6.679 -2.102
25 HB3 SER 3 HB1 SER 3 11.854 5.185 -2.423
26 HG SER 3 HG SER 3 9.662 4.760 -3.629
27 H GLY 4 HN GLY 4 10.341 3.170 0.516
28 HA2 GLY 4 HA2 GLY 4 10.221 0.925 -1.407
29 HA3 GLY 4 HA1 GLY 4 11.178 0.899 0.069
30 H ASP 5 HN ASP 5 7.892 2.062 -0.387
31 HA ASP 5 HA ASP 5 7.009 0.214 1.715
32 HB2 ASP 5 HB2 ASP 5 5.513 2.583 0.557
33 HB3 ASP 5 HB1 ASP 5 5.100 1.675 2.007
34 H THR 6 HN THR 6 6.566 -1.683 0.679
35 HA THR 6 HA THR 6 5.034 -1.612 -1.812
36 HB THR 6 HB THR 6 5.578 -4.109 -1.800
37 HG1 THR 6 HG1 THR 6 6.175 -4.169 0.455
38 HG21 THR 6 HG21 THR 6 7.858 -3.749 -2.628
39 HG22 THR 6 HG22 THR 6 7.855 -2.132 -1.923
40 HG23 THR 6 HG23 THR 6 6.744 -2.525 -3.238
41 H CYS 7 HN CYS 7 2.991 -2.385 -1.980
42 HA CYS 7 HA CYS 7 1.781 -3.471 0.478
43 HB2 CYS 7 HB2 CYS 7 1.017 -1.231 -0.748
44 HB3 CYS 7 HB1 CYS 7 0.127 -2.373 -1.747
45 H PHE 8 HN PHE 8 2.016 -5.639 0.190
46 HA PHE 8 HA PHE 8 1.742 -6.864 -2.375
47 HB2 PHE 8 HB2 PHE 8 2.041 -8.997 -1.050
48 HB3 PHE 8 HB1 PHE 8 3.348 -7.829 -0.938
49 HD1 PHE 8 HD2 PHE 8 0.324 -9.054 0.838
50 HD2 PHE 8 HD1 PHE 8 4.082 -7.072 1.149
51 HE1 PHE 8 HE2 PHE 8 0.152 -9.112 3.289
52 HE2 PHE 8 HE1 PHE 8 3.908 -7.126 3.599
53 HZ PHE 8 HZ PHE 8 1.968 -8.156 4.674
54 H ARG 9 HN ARG 9 -0.563 -5.860 -0.175
55 HA ARG 9 HA ARG 9 -2.353 -8.098 -0.596
56 HB2 ARG 9 HB2 ARG 9 -2.573 -5.568 0.991
57 HB3 ARG 9 HB1 ARG 9 -3.995 -6.539 0.651
58 HG2 ARG 9 HG2 ARG 9 -2.804 -8.490 1.677
59 HG3 ARG 9 HG1 ARG 9 -1.545 -7.362 2.186
60 HD2 ARG 9 HD2 ARG 9 -3.300 -6.040 3.363
61 HD3 ARG 9 HD1 ARG 9 -4.463 -7.299 2.952
62 HE ARG 9 HE ARG 9 -2.321 -8.530 4.257
63 HH11 ARG 9 HH11 ARG 9 -4.887 -6.249 4.950
64 HH12 ARG 9 HH12 ARG 9 -4.941 -6.622 6.641
65 HH21 ARG 9 HH21 ARG 9 -2.382 -9.017 6.488
66 HH22 ARG 9 HH22 ARG 9 -3.514 -8.202 7.521
67 H CYS 10 HN CYS 10 -1.995 -4.802 -1.797
68 HA CYS 10 HA CYS 10 -4.304 -5.333 -3.548
69 HB2 CYS 10 HB2 CYS 10 -4.575 -2.929 -3.796
70 HB3 CYS 10 HB1 CYS 10 -4.569 -3.356 -2.088
71 H GLY 11 HN GLY 11 -0.927 -4.876 -3.441
72 HA2 GLY 11 HA2 GLY 11 0.513 -5.357 -5.228
73 HA3 GLY 11 HA1 GLY 11 -0.812 -5.073 -6.346
74 H GLY 12 HN GLY 12 -0.995 -2.544 -4.311
75 HA2 GLY 12 HA2 GLY 12 0.253 -0.803 -6.259
76 HA3 GLY 12 HA1 GLY 12 -0.715 -0.302 -4.878
77 H MET 13 HN MET 13 1.685 0.951 -5.628
78 HA MET 13 HA MET 13 3.467 0.139 -3.424
79 HB2 MET 13 HB2 MET 13 4.144 1.700 -5.926
80 HB3 MET 13 HB1 MET 13 5.274 1.254 -4.657
81 HG2 MET 13 HG2 MET 13 3.785 -0.664 -6.437
82 HG3 MET 13 HG1 MET 13 5.472 -0.190 -6.610
83 HE1 MET 13 HE1 MET 13 5.611 -3.935 -5.378
84 HE2 MET 13 HE2 MET 13 6.088 -2.812 -6.652
85 HE3 MET 13 HE3 MET 13 4.387 -3.214 -6.423
86 H GLY 14 HN GLY 14 3.969 1.629 -1.876
87 HA2 GLY 14 HA2 GLY 14 4.343 4.107 -1.543
88 HA3 GLY 14 HA1 GLY 14 2.733 4.293 -2.212
89 H HIS 15 HN HIS 15 1.768 1.871 -0.781
90 HA HIS 15 HA HIS 15 1.826 2.882 1.968
91 HB2 HIS 15 HB2 HIS 15 -0.541 2.675 2.233
92 HB3 HIS 15 HB1 HIS 15 -0.243 3.683 0.829
93 HD1 HIS 15 HD1 HIS 15 -0.358 2.047 -1.559
94 HD2 HIS 15 HD2 HIS 15 -2.523 1.003 1.826
95 HE1 HIS 15 HE1 HIS 15 -2.256 0.554 -2.345
96 H TRP 16 HN TRP 16 0.774 1.229 3.488
97 HA TRP 16 HA TRP 16 1.999 -1.329 2.795
98 HB2 TRP 16 HB2 TRP 16 1.394 -0.036 5.445
99 HB3 TRP 16 HB1 TRP 16 1.891 -1.719 5.310
100 HD1 TRP 16 HD1 TRP 16 3.292 1.758 5.391
101 HE1 TRP 16 HE1 TRP 16 5.831 1.693 5.021
102 HE3 TRP 16 HE3 TRP 16 3.791 -3.133 3.945
103 HZ2 TRP 16 HZ2 TRP 16 7.793 -0.180 4.232
104 HZ3 TRP 16 HZ3 TRP 16 6.034 -3.970 3.398
105 HH2 TRP 16 HH2 TRP 16 7.992 -2.524 3.541
106 H ALA 17 HN ALA 17 1.044 -3.262 3.802
107 HA ALA 17 HA ALA 17 -1.130 -3.955 2.369
108 HB1 ALA 17 HB1 ALA 17 -0.309 -5.210 4.970
109 HB2 ALA 17 HB2 ALA 17 0.457 -5.492 3.407
110 HB3 ALA 17 HB3 ALA 17 -1.218 -5.979 3.669
111 H SER 18 HN SER 18 -1.287 -2.840 5.762
112 HA SER 18 HA SER 18 -4.163 -3.356 5.737
113 HB2 SER 18 HB2 SER 18 -2.370 -2.445 8.002
114 HB3 SER 18 HB1 SER 18 -4.076 -2.865 8.147
115 HG SER 18 HG SER 18 -3.269 -4.776 8.550
116 H GLN 19 HN GLN 19 -2.839 -1.081 4.229
117 HA GLN 19 HA GLN 19 -4.467 1.073 5.416
118 HB2 GLN 19 HB2 GLN 19 -1.805 1.417 4.040
119 HB3 GLN 19 HB1 GLN 19 -2.789 2.698 4.726
120 HG2 GLN 19 HG2 GLN 19 -2.399 1.901 6.940
121 HG3 GLN 19 HG1 GLN 19 -1.603 0.448 6.329
122 HE21 GLN 19 HE21 GLN 19 -0.573 2.514 8.122
123 HE22 GLN 19 HE22 GLN 19 0.844 3.147 7.365
124 H CYS 20 HN CYS 20 -4.856 -0.911 3.116
125 HA CYS 20 HA CYS 20 -4.622 0.453 0.669
126 HB2 CYS 20 HB2 CYS 20 -6.497 -1.774 1.483
127 HB3 CYS 20 HB1 CYS 20 -6.261 -1.234 -0.172
128 HA PRO 21 HA PRO 21 -8.014 3.314 1.240
129 HB2 PRO 21 HB2 PRO 21 -7.780 4.632 -1.084
130 HB3 PRO 21 HB1 PRO 21 -6.585 4.813 0.207
131 HG2 PRO 21 HG2 PRO 21 -6.451 3.154 -2.279
132 HG3 PRO 21 HG1 PRO 21 -5.194 4.160 -1.536
133 HD2 PRO 21 HD2 PRO 21 -5.352 1.439 -1.238
134 HD3 PRO 21 HD1 PRO 21 -4.586 2.523 -0.059
135 H GLY 22 HN GLY 22 -9.918 4.084 -0.132
136 HA2 GLY 22 HA2 GLY 22 -11.296 3.458 -2.120
137 HA3 GLY 22 HA1 GLY 22 -10.999 1.790 -1.649
138 H SER 23 HN SER 23 -11.576 1.428 0.788
139 HA SER 23 HA SER 23 -14.350 2.279 1.054
140 HB2 SER 23 HB2 SER 23 -12.858 0.164 2.621
141 HB3 SER 23 HB1 SER 23 -14.603 0.418 2.583
142 HG SER 23 HG SER 23 -14.709 -0.652 0.779
143 H VAL 24 HN VAL 24 -11.299 2.268 2.822
144 HA VAL 24 HA VAL 24 -12.299 3.342 5.233
145 HB VAL 24 HB VAL 24 -9.946 3.879 5.762
146 HG11 VAL 24 HG11 VAL 24 -10.369 1.149 4.560
147 HG12 VAL 24 HG12 VAL 24 -10.783 1.646 6.199
148 HG13 VAL 24 HG13 VAL 24 -9.094 1.579 5.698
149 HG21 VAL 24 HG21 VAL 24 -8.171 3.247 4.178
150 HG22 VAL 24 HG22 VAL 24 -9.172 4.565 3.567
151 HG23 VAL 24 HG23 VAL 24 -9.398 2.929 2.952
152 HA PRO 25 HA PRO 25 -12.813 7.617 4.196
153 HB2 PRO 25 HB2 PRO 25 -12.469 8.715 6.665
154 HB3 PRO 25 HB1 PRO 25 -13.941 7.871 6.175
155 HG2 PRO 25 HG2 PRO 25 -11.638 6.880 7.805
156 HG3 PRO 25 HG1 PRO 25 -13.376 6.614 8.040
157 HD2 PRO 25 HD2 PRO 25 -11.749 4.754 6.924
158 HD3 PRO 25 HD1 PRO 25 -13.460 4.924 6.476
Start of MODEL 3
1 H1 ASN 1 HT1 ASN 1 9.416 -2.015 -2.066
2 H2 ASN 1 HT2 ASN 1 8.894 -3.621 -2.198
3 H3 ASN 1 HT3 ASN 1 9.038 -2.661 -3.586
4 HA ASN 1 HA ASN 1 11.267 -3.484 -1.832
5 HB2 ASN 1 HB2 ASN 1 10.381 -4.504 -4.534
6 HB3 ASN 1 HB1 ASN 1 11.969 -4.827 -3.850
7 HD21 ASN 1 HD21 ASN 1 11.619 -7.029 -3.803
8 HD22 ASN 1 HD22 ASN 1 10.548 -7.772 -2.671
9 H ARG 2 HN ARG 2 11.199 -2.934 -5.317
10 HA ARG 2 HA ARG 2 13.585 -1.388 -5.146
11 HB2 ARG 2 HB2 ARG 2 11.737 -1.799 -7.499
12 HB3 ARG 2 HB1 ARG 2 13.364 -1.140 -7.580
13 HG2 ARG 2 HG2 ARG 2 14.251 -3.279 -6.755
14 HG3 ARG 2 HG1 ARG 2 12.611 -3.935 -6.742
15 HD2 ARG 2 HD2 ARG 2 12.455 -3.483 -9.172
16 HD3 ARG 2 HD1 ARG 2 14.121 -2.910 -9.150
17 HE ARG 2 HE ARG 2 13.746 -5.595 -8.148
18 HH11 ARG 2 HH11 ARG 2 14.379 -3.611 -10.960
19 HH12 ARG 2 HH12 ARG 2 15.163 -4.885 -11.839
20 HH21 ARG 2 HH21 ARG 2 14.774 -7.270 -9.296
21 HH22 ARG 2 HH22 ARG 2 15.381 -6.976 -10.893
22 H SER 3 HN SER 3 10.210 -0.643 -5.367
23 HA SER 3 HA SER 3 10.795 2.193 -5.776
24 HB2 SER 3 HB2 SER 3 8.273 2.337 -6.068
25 HB3 SER 3 HB1 SER 3 9.136 1.405 -7.291
26 HG SER 3 HG SER 3 7.113 0.556 -6.035
27 H GLY 4 HN GLY 4 11.077 0.536 -3.237
28 HA2 GLY 4 HA2 GLY 4 11.066 1.424 -1.046
29 HA3 GLY 4 HA1 GLY 4 9.784 2.524 -1.527
30 H ASP 5 HN ASP 5 7.985 2.106 -0.411
31 HA ASP 5 HA ASP 5 7.600 -0.465 0.837
32 HB2 ASP 5 HB2 ASP 5 5.686 1.878 0.839
33 HB3 ASP 5 HB1 ASP 5 5.745 0.545 1.985
34 H THR 6 HN THR 6 6.923 -2.062 -0.515
35 HA THR 6 HA THR 6 4.813 -1.480 -2.435
36 HB THR 6 HB THR 6 5.148 -4.077 -2.817
37 HG1 THR 6 HG1 THR 6 6.698 -4.087 -0.984
38 HG21 THR 6 HG21 THR 6 6.832 -3.544 -4.511
39 HG22 THR 6 HG22 THR 6 7.098 -1.977 -3.747
40 HG23 THR 6 HG23 THR 6 5.538 -2.347 -4.483
41 H CYS 7 HN CYS 7 2.820 -2.426 -2.412
42 HA CYS 7 HA CYS 7 1.968 -3.361 0.238
43 HB2 CYS 7 HB2 CYS 7 1.116 -1.195 -0.980
44 HB3 CYS 7 HB1 CYS 7 0.120 -2.335 -1.876
45 H PHE 8 HN PHE 8 2.058 -5.542 0.134
46 HA PHE 8 HA PHE 8 1.700 -6.978 -2.294
47 HB2 PHE 8 HB2 PHE 8 2.027 -8.982 -0.841
48 HB3 PHE 8 HB1 PHE 8 3.306 -7.785 -0.725
49 HD1 PHE 8 HD2 PHE 8 0.371 -9.223 0.993
50 HD2 PHE 8 HD1 PHE 8 3.782 -6.694 1.328
51 HE1 PHE 8 HE2 PHE 8 0.092 -9.169 3.432
52 HE2 PHE 8 HE1 PHE 8 3.497 -6.631 3.765
53 HZ PHE 8 HZ PHE 8 1.677 -7.918 4.827
54 H ARG 9 HN ARG 9 -0.608 -5.716 -0.294
55 HA ARG 9 HA ARG 9 -2.411 -7.993 -0.575
56 HB2 ARG 9 HB2 ARG 9 -2.515 -5.498 1.071
57 HB3 ARG 9 HB1 ARG 9 -3.978 -6.422 0.766
58 HG2 ARG 9 HG2 ARG 9 -1.474 -7.525 2.025
59 HG3 ARG 9 HG1 ARG 9 -2.913 -7.005 2.905
60 HD2 ARG 9 HD2 ARG 9 -4.240 -8.694 1.752
61 HD3 ARG 9 HD1 ARG 9 -2.824 -9.196 0.833
62 HE ARG 9 HE ARG 9 -2.291 -9.371 3.607
63 HH11 ARG 9 HH11 ARG 9 -4.135 -10.930 1.081
64 HH12 ARG 9 HH12 ARG 9 -4.072 -12.498 1.817
65 HH21 ARG 9 HH21 ARG 9 -2.192 -11.448 4.588
66 HH22 ARG 9 HH22 ARG 9 -2.959 -12.793 3.809
67 H CYS 10 HN CYS 10 -1.855 -4.860 -1.957
68 HA CYS 10 HA CYS 10 -4.295 -5.266 -3.550
69 HB2 CYS 10 HB2 CYS 10 -4.438 -2.843 -3.868
70 HB3 CYS 10 HB1 CYS 10 -4.485 -3.261 -2.159
71 H GLY 11 HN GLY 11 -0.908 -4.999 -3.574
72 HA2 GLY 11 HA2 GLY 11 0.440 -5.545 -5.422
73 HA3 GLY 11 HA1 GLY 11 -0.906 -5.177 -6.489
74 H GLY 12 HN GLY 12 -0.982 -2.681 -4.480
75 HA2 GLY 12 HA2 GLY 12 0.319 -0.947 -6.388
76 HA3 GLY 12 HA1 GLY 12 -0.603 -0.450 -4.974
77 H MET 13 HN MET 13 1.330 1.087 -5.066
78 HA MET 13 HA MET 13 3.271 0.111 -3.120
79 HB2 MET 13 HB2 MET 13 5.171 0.971 -4.314
80 HB3 MET 13 HB1 MET 13 4.299 -0.107 -5.392
81 HG2 MET 13 HG2 MET 13 3.295 1.808 -6.515
82 HG3 MET 13 HG1 MET 13 4.149 2.899 -5.425
83 HE1 MET 13 HE1 MET 13 4.272 3.180 -8.563
84 HE2 MET 13 HE2 MET 13 5.994 3.458 -8.825
85 HE3 MET 13 HE3 MET 13 5.172 4.234 -7.471
86 H GLY 14 HN GLY 14 4.129 1.765 -1.800
87 HA2 GLY 14 HA2 GLY 14 4.408 4.178 -1.427
88 HA3 GLY 14 HA1 GLY 14 2.828 4.393 -2.165
89 H HIS 15 HN HIS 15 1.907 1.924 -0.684
90 HA HIS 15 HA HIS 15 1.823 2.997 2.028
91 HB2 HIS 15 HB2 HIS 15 -0.548 2.781 2.229
92 HB3 HIS 15 HB1 HIS 15 -0.219 3.767 0.812
93 HD1 HIS 15 HD1 HIS 15 -0.275 2.104 -1.547
94 HD2 HIS 15 HD2 HIS 15 -2.491 1.064 1.811
95 HE1 HIS 15 HE1 HIS 15 -2.135 0.576 -2.354
96 H TRP 16 HN TRP 16 0.899 1.404 3.580
97 HA TRP 16 HA TRP 16 2.055 -1.194 2.964
98 HB2 TRP 16 HB2 TRP 16 1.473 0.293 5.469
99 HB3 TRP 16 HB1 TRP 16 1.469 -1.464 5.545
100 HD1 TRP 16 HD1 TRP 16 3.798 1.472 5.467
101 HE1 TRP 16 HE1 TRP 16 6.238 0.653 5.451
102 HE3 TRP 16 HE3 TRP 16 2.979 -3.495 4.543
103 HZ2 TRP 16 HZ2 TRP 16 7.629 -1.784 5.086
104 HZ3 TRP 16 HZ3 TRP 16 4.918 -4.995 4.372
105 HH2 TRP 16 HH2 TRP 16 7.193 -4.157 4.639
106 H ALA 17 HN ALA 17 1.017 -3.118 3.759
107 HA ALA 17 HA ALA 17 -1.202 -3.553 2.202
108 HB1 ALA 17 HB1 ALA 17 -1.232 -5.778 3.124
109 HB2 ALA 17 HB2 ALA 17 -0.248 -5.254 4.488
110 HB3 ALA 17 HB3 ALA 17 0.429 -5.247 2.859
111 H SER 18 HN SER 18 -1.154 -2.705 5.615
112 HA SER 18 HA SER 18 -3.951 -3.441 5.916
113 HB2 SER 18 HB2 SER 18 -3.538 -2.611 8.291
114 HB3 SER 18 HB1 SER 18 -2.597 -4.012 7.781
115 HG SER 18 HG SER 18 -1.686 -1.739 8.723
116 H GLN 19 HN GLN 19 -2.673 -0.965 4.388
117 HA GLN 19 HA GLN 19 -4.592 0.974 5.502
118 HB2 GLN 19 HB2 GLN 19 -1.843 1.560 4.397
119 HB3 GLN 19 HB1 GLN 19 -3.016 2.779 4.870
120 HG2 GLN 19 HG2 GLN 19 -1.826 0.723 6.718
121 HG3 GLN 19 HG1 GLN 19 -1.272 2.388 6.564
122 HE21 GLN 19 HE21 GLN 19 -3.961 3.460 6.249
123 HE22 GLN 19 HE22 GLN 19 -4.705 3.389 7.805
124 H CYS 20 HN CYS 20 -4.648 -0.971 3.160
125 HA CYS 20 HA CYS 20 -4.495 0.398 0.726
126 HB2 CYS 20 HB2 CYS 20 -6.285 -1.888 1.562
127 HB3 CYS 20 HB1 CYS 20 -6.128 -1.324 -0.094
128 HA PRO 21 HA PRO 21 -8.149 3.086 0.993
129 HB2 PRO 21 HB2 PRO 21 -7.635 3.230 -1.923
130 HB3 PRO 21 HB1 PRO 21 -7.839 4.540 -0.757
131 HG2 PRO 21 HG2 PRO 21 -5.440 3.953 -1.780
132 HG3 PRO 21 HG1 PRO 21 -5.625 4.477 -0.097
133 HD2 PRO 21 HD2 PRO 21 -5.163 1.735 -1.193
134 HD3 PRO 21 HD1 PRO 21 -4.517 2.485 0.280
135 H GLY 22 HN GLY 22 -10.089 2.165 1.004
136 HA2 GLY 22 HA2 GLY 22 -11.819 1.025 -0.417
137 HA3 GLY 22 HA1 GLY 22 -10.544 -0.126 -0.807
138 H SER 23 HN SER 23 -9.354 -0.710 1.476
139 HA SER 23 HA SER 23 -11.425 -1.857 3.155
140 HB2 SER 23 HB2 SER 23 -9.473 -2.945 4.315
141 HB3 SER 23 HB1 SER 23 -9.590 -3.330 2.596
142 HG SER 23 HG SER 23 -7.631 -2.009 3.964
143 H VAL 24 HN VAL 24 -9.074 0.668 3.098
144 HA VAL 24 HA VAL 24 -10.062 1.627 5.702
145 HB VAL 24 HB VAL 24 -7.311 2.163 4.560
146 HG11 VAL 24 HG11 VAL 24 -8.485 2.755 7.272
147 HG12 VAL 24 HG12 VAL 24 -8.152 3.934 6.004
148 HG13 VAL 24 HG13 VAL 24 -6.823 3.068 6.774
149 HG21 VAL 24 HG21 VAL 24 -8.142 0.244 6.731
150 HG22 VAL 24 HG22 VAL 24 -6.478 0.686 6.359
151 HG23 VAL 24 HG23 VAL 24 -7.451 -0.173 5.164
152 HA PRO 25 HA PRO 25 -11.313 4.990 2.955
153 HB2 PRO 25 HB2 PRO 25 -12.886 6.243 4.770
154 HB3 PRO 25 HB1 PRO 25 -13.416 4.820 3.868
155 HG2 PRO 25 HG2 PRO 25 -12.409 5.023 6.671
156 HG3 PRO 25 HG1 PRO 25 -13.725 4.030 6.020
157 HD2 PRO 25 HD2 PRO 25 -11.226 3.065 6.559
158 HD3 PRO 25 HD1 PRO 25 -12.302 2.371 5.332
Start of MODEL 4
1 H1 ASN 1 HT1 ASN 1 13.750 4.548 3.600
2 H2 ASN 1 HT2 ASN 1 13.361 6.094 3.037
3 H3 ASN 1 HT3 ASN 1 13.164 4.755 2.031
4 HA ASN 1 HA ASN 1 11.449 3.875 3.427
5 HB2 ASN 1 HB2 ASN 1 10.601 5.127 5.323
6 HB3 ASN 1 HB1 ASN 1 12.323 4.850 5.550
7 HD21 ASN 1 HD21 ASN 1 13.754 6.590 5.386
8 HD22 ASN 1 HD22 ASN 1 13.206 8.228 5.472
9 H ARG 2 HN ARG 2 9.264 4.475 3.101
10 HA ARG 2 HA ARG 2 7.585 5.287 1.839
11 HB2 ARG 2 HB2 ARG 2 8.994 7.890 2.428
12 HB3 ARG 2 HB1 ARG 2 7.407 7.779 1.678
13 HG2 ARG 2 HG2 ARG 2 8.174 6.839 4.433
14 HG3 ARG 2 HG1 ARG 2 7.150 8.217 4.023
15 HD2 ARG 2 HD2 ARG 2 5.514 6.702 3.008
16 HD3 ARG 2 HD1 ARG 2 6.532 5.323 3.419
17 HE ARG 2 HE ARG 2 5.689 7.021 5.620
18 HH11 ARG 2 HH11 ARG 2 5.240 4.047 3.816
19 HH12 ARG 2 HH12 ARG 2 4.234 3.325 5.032
20 HH21 ARG 2 HH21 ARG 2 4.404 6.046 7.230
21 HH22 ARG 2 HH22 ARG 2 3.772 4.453 6.971
22 H SER 3 HN SER 3 9.666 4.207 0.416
23 HA SER 3 HA SER 3 9.126 5.433 -2.154
24 HB2 SER 3 HB2 SER 3 11.967 4.977 -1.203
25 HB3 SER 3 HB1 SER 3 11.503 5.425 -2.843
26 HG SER 3 HG SER 3 10.396 7.085 -1.007
27 H GLY 4 HN GLY 4 10.073 2.805 -0.163
28 HA2 GLY 4 HA2 GLY 4 9.649 0.983 -2.450
29 HA3 GLY 4 HA1 GLY 4 10.747 0.616 -1.125
30 H ASP 5 HN ASP 5 7.528 2.059 -0.947
31 HA ASP 5 HA ASP 5 6.782 0.185 1.116
32 HB2 ASP 5 HB2 ASP 5 5.045 2.266 -0.235
33 HB3 ASP 5 HB1 ASP 5 4.715 1.444 1.284
34 H THR 6 HN THR 6 6.798 -1.795 0.024
35 HA THR 6 HA THR 6 5.143 -2.192 -2.306
36 HB THR 6 HB THR 6 6.522 -4.299 -0.623
37 HG1 THR 6 HG1 THR 6 7.493 -2.482 -2.541
38 HG21 THR 6 HG21 THR 6 5.640 -4.271 -3.510
39 HG22 THR 6 HG22 THR 6 4.873 -5.165 -2.197
40 HG23 THR 6 HG23 THR 6 6.507 -5.581 -2.711
41 H CYS 7 HN CYS 7 3.004 -2.404 -2.124
42 HA CYS 7 HA CYS 7 1.900 -3.485 0.360
43 HB2 CYS 7 HB2 CYS 7 1.158 -1.267 -0.849
44 HB3 CYS 7 HB1 CYS 7 0.225 -2.373 -1.853
45 H PHE 8 HN PHE 8 2.027 -5.658 0.178
46 HA PHE 8 HA PHE 8 1.592 -7.039 -2.279
47 HB2 PHE 8 HB2 PHE 8 1.734 -9.080 -0.759
48 HB3 PHE 8 HB1 PHE 8 3.145 -8.034 -0.823
49 HD1 PHE 8 HD2 PHE 8 0.177 -8.921 1.199
50 HD2 PHE 8 HD1 PHE 8 3.978 -7.004 1.129
51 HE1 PHE 8 HE2 PHE 8 0.112 -8.707 3.645
52 HE2 PHE 8 HE1 PHE 8 3.914 -6.784 3.574
53 HZ PHE 8 HZ PHE 8 2.016 -7.662 4.841
54 H ARG 9 HN ARG 9 -0.592 -5.681 -0.193
55 HA ARG 9 HA ARG 9 -2.552 -7.811 -0.322
56 HB2 ARG 9 HB2 ARG 9 -2.607 -5.050 0.877
57 HB3 ARG 9 HB1 ARG 9 -4.035 -6.069 0.800
58 HG2 ARG 9 HG2 ARG 9 -1.462 -6.752 2.208
59 HG3 ARG 9 HG1 ARG 9 -2.954 -6.208 2.977
60 HD2 ARG 9 HD2 ARG 9 -2.532 -8.765 1.438
61 HD3 ARG 9 HD1 ARG 9 -2.773 -8.603 3.175
62 HE ARG 9 HE ARG 9 -5.011 -7.480 2.157
63 HH11 ARG 9 HH11 ARG 9 -3.413 -10.538 1.561
64 HH12 ARG 9 HH12 ARG 9 -4.882 -11.383 1.200
65 HH21 ARG 9 HH21 ARG 9 -6.942 -8.586 1.694
66 HH22 ARG 9 HH22 ARG 9 -6.897 -10.271 1.277
67 H CYS 10 HN CYS 10 -1.946 -4.721 -1.893
68 HA CYS 10 HA CYS 10 -4.291 -5.252 -3.593
69 HB2 CYS 10 HB2 CYS 10 -4.413 -2.834 -4.004
70 HB3 CYS 10 HB1 CYS 10 -4.543 -3.198 -2.287
71 H GLY 11 HN GLY 11 -0.903 -4.941 -3.484
72 HA2 GLY 11 HA2 GLY 11 0.545 -5.521 -5.235
73 HA3 GLY 11 HA1 GLY 11 -0.759 -5.241 -6.381
74 H GLY 12 HN GLY 12 -0.886 -2.661 -4.400
75 HA2 GLY 12 HA2 GLY 12 0.392 -0.994 -6.395
76 HA3 GLY 12 HA1 GLY 12 -0.593 -0.445 -5.047
77 H MET 13 HN MET 13 1.353 1.120 -5.255
78 HA MET 13 HA MET 13 3.309 0.258 -3.241
79 HB2 MET 13 HB2 MET 13 5.102 1.365 -4.368
80 HB3 MET 13 HB1 MET 13 4.312 0.336 -5.551
81 HG2 MET 13 HG2 MET 13 3.186 2.238 -6.516
82 HG3 MET 13 HG1 MET 13 3.850 3.297 -5.274
83 HE1 MET 13 HE1 MET 13 4.745 4.946 -7.159
84 HE2 MET 13 HE2 MET 13 4.066 3.884 -8.392
85 HE3 MET 13 HE3 MET 13 5.740 4.425 -8.517
86 H GLY 14 HN GLY 14 4.230 2.070 -2.005
87 HA2 GLY 14 HA2 GLY 14 4.213 4.415 -1.444
88 HA3 GLY 14 HA1 GLY 14 2.611 4.528 -2.151
89 H HIS 15 HN HIS 15 2.080 1.857 -0.704
90 HA HIS 15 HA HIS 15 1.931 2.781 2.032
91 HB2 HIS 15 HB2 HIS 15 -0.435 2.580 2.259
92 HB3 HIS 15 HB1 HIS 15 -0.130 3.647 0.900
93 HD1 HIS 15 HD1 HIS 15 -0.170 2.056 -1.542
94 HD2 HIS 15 HD2 HIS 15 -2.444 0.975 1.761
95 HE1 HIS 15 HE1 HIS 15 -2.060 0.594 -2.413
96 H TRP 16 HN TRP 16 0.849 1.028 3.405
97 HA TRP 16 HA TRP 16 1.992 -1.512 2.508
98 HB2 TRP 16 HB2 TRP 16 1.811 -0.278 5.247
99 HB3 TRP 16 HB1 TRP 16 2.202 -1.977 5.005
100 HD1 TRP 16 HD1 TRP 16 3.678 1.508 4.629
101 HE1 TRP 16 HE1 TRP 16 6.174 1.320 4.051
102 HE3 TRP 16 HE3 TRP 16 3.946 -3.542 3.827
103 HZ2 TRP 16 HZ2 TRP 16 8.017 -0.703 3.363
104 HZ3 TRP 16 HZ3 TRP 16 6.115 -4.516 3.211
105 HH2 TRP 16 HH2 TRP 16 8.106 -3.126 2.984
106 H ALA 17 HN ALA 17 1.092 -3.393 3.805
107 HA ALA 17 HA ALA 17 -1.130 -4.253 2.666
108 HB1 ALA 17 HB1 ALA 17 0.374 -5.607 4.028
109 HB2 ALA 17 HB2 ALA 17 -1.322 -5.939 4.377
110 HB3 ALA 17 HB3 ALA 17 -0.369 -4.955 5.486
111 H SER 18 HN SER 18 -1.317 -2.906 5.990
112 HA SER 18 HA SER 18 -4.205 -3.238 5.852
113 HB2 SER 18 HB2 SER 18 -2.837 -3.947 7.846
114 HB3 SER 18 HB1 SER 18 -2.559 -2.240 8.184
115 HG SER 18 HG SER 18 -4.678 -1.964 8.637
116 H GLN 19 HN GLN 19 -2.874 -1.083 4.272
117 HA GLN 19 HA GLN 19 -4.457 1.142 5.374
118 HB2 GLN 19 HB2 GLN 19 -1.734 1.425 4.104
119 HB3 GLN 19 HB1 GLN 19 -2.738 2.737 4.697
120 HG2 GLN 19 HG2 GLN 19 -2.515 1.896 6.968
121 HG3 GLN 19 HG1 GLN 19 -1.535 0.551 6.382
122 HE21 GLN 19 HE21 GLN 19 -0.263 2.341 4.381
123 HE22 GLN 19 HE22 GLN 19 0.905 3.256 5.260
124 H CYS 20 HN CYS 20 -4.742 -0.905 3.086
125 HA CYS 20 HA CYS 20 -4.455 0.421 0.625
126 HB2 CYS 20 HB2 CYS 20 -6.339 -1.779 1.465
127 HB3 CYS 20 HB1 CYS 20 -6.169 -1.230 -0.194
128 HA PRO 21 HA PRO 21 -7.619 3.593 1.056
129 HB2 PRO 21 HB2 PRO 21 -7.306 3.580 -1.905
130 HB3 PRO 21 HB1 PRO 21 -7.260 4.938 -0.775
131 HG2 PRO 21 HG2 PRO 21 -5.021 4.004 -1.861
132 HG3 PRO 21 HG1 PRO 21 -5.064 4.530 -0.167
133 HD2 PRO 21 HD2 PRO 21 -5.047 1.765 -1.293
134 HD3 PRO 21 HD1 PRO 21 -4.265 2.394 0.171
135 H GLY 22 HN GLY 22 -9.815 3.792 0.566
136 HA2 GLY 22 HA2 GLY 22 -11.781 3.118 -0.660
137 HA3 GLY 22 HA1 GLY 22 -11.004 1.569 -0.962
138 H SER 23 HN SER 23 -10.766 2.976 2.170
139 HA SER 23 HA SER 23 -12.533 0.908 3.228
140 HB2 SER 23 HB2 SER 23 -10.228 1.065 4.147
141 HB3 SER 23 HB1 SER 23 -10.575 2.706 4.684
142 HG SER 23 HG SER 23 -11.954 1.949 6.188
143 H VAL 24 HN VAL 24 -14.578 1.661 3.132
144 HA VAL 24 HA VAL 24 -15.178 4.433 3.483
145 HB VAL 24 HB VAL 24 -17.552 3.738 3.255
146 HG11 VAL 24 HG11 VAL 24 -15.673 2.633 1.170
147 HG12 VAL 24 HG12 VAL 24 -16.230 4.301 1.289
148 HG13 VAL 24 HG13 VAL 24 -17.377 3.013 0.920
149 HG21 VAL 24 HG21 VAL 24 -16.390 0.966 2.968
150 HG22 VAL 24 HG22 VAL 24 -18.068 1.417 2.672
151 HG23 VAL 24 HG23 VAL 24 -17.398 1.534 4.299
152 HA PRO 25 HA PRO 25 -16.030 4.075 7.852
153 HB2 PRO 25 HB2 PRO 25 -16.769 6.738 8.136
154 HB3 PRO 25 HB1 PRO 25 -15.116 6.130 8.171
155 HG2 PRO 25 HG2 PRO 25 -16.301 7.813 6.207
156 HG3 PRO 25 HG1 PRO 25 -14.675 7.115 6.191
157 HD2 PRO 25 HD2 PRO 25 -17.139 6.210 4.807
158 HD3 PRO 25 HD1 PRO 25 -15.434 5.985 4.357
Start of MODEL 5
1 H1 ASN 1 HT1 ASN 1 8.678 10.421 5.463
2 H2 ASN 1 HT2 ASN 1 8.690 8.775 5.841
3 H3 ASN 1 HT3 ASN 1 7.780 9.334 4.534
4 HA ASN 1 HA ASN 1 9.771 10.003 3.379
5 HB2 ASN 1 HB2 ASN 1 11.126 10.438 5.406
6 HB3 ASN 1 HB1 ASN 1 11.210 8.706 5.705
7 HD21 ASN 1 HD21 ASN 1 12.323 11.332 3.734
8 HD22 ASN 1 HD22 ASN 1 13.591 10.469 2.945
9 H ARG 2 HN ARG 2 9.145 7.060 5.245
10 HA ARG 2 HA ARG 2 10.190 5.355 3.160
11 HB2 ARG 2 HB2 ARG 2 10.448 4.691 5.493
12 HB3 ARG 2 HB1 ARG 2 8.706 4.714 5.715
13 HG2 ARG 2 HG2 ARG 2 9.491 2.443 5.498
14 HG3 ARG 2 HG1 ARG 2 8.482 2.868 4.113
15 HD2 ARG 2 HD2 ARG 2 10.582 3.346 2.835
16 HD3 ARG 2 HD1 ARG 2 11.497 2.726 4.209
17 HE ARG 2 HE ARG 2 9.594 0.808 3.424
18 HH11 ARG 2 HH11 ARG 2 12.595 2.241 2.353
19 HH12 ARG 2 HH12 ARG 2 13.073 0.863 1.418
20 HH21 ARG 2 HH21 ARG 2 10.207 -1.020 2.179
21 HH22 ARG 2 HH22 ARG 2 11.720 -0.990 1.320
22 H SER 3 HN SER 3 8.803 6.067 1.416
23 HA SER 3 HA SER 3 6.118 4.864 1.581
24 HB2 SER 3 HB2 SER 3 6.078 7.364 1.405
25 HB3 SER 3 HB1 SER 3 6.908 7.228 -0.143
26 HG SER 3 HG SER 3 5.111 5.958 -0.865
27 H GLY 4 HN GLY 4 9.063 4.327 0.458
28 HA2 GLY 4 HA2 GLY 4 8.308 3.524 -2.255
29 HA3 GLY 4 HA1 GLY 4 9.941 3.564 -1.606
30 H ASP 5 HN ASP 5 6.977 2.022 -0.407
31 HA ASP 5 HA ASP 5 8.354 -0.574 -0.632
32 HB2 ASP 5 HB2 ASP 5 8.120 0.403 1.747
33 HB3 ASP 5 HB1 ASP 5 6.403 0.051 1.580
34 H THR 6 HN THR 6 7.068 -2.321 -1.259
35 HA THR 6 HA THR 6 4.707 -1.552 -2.726
36 HB THR 6 HB THR 6 4.806 -4.123 -3.274
37 HG1 THR 6 HG1 THR 6 6.402 -5.007 -2.173
38 HG21 THR 6 HG21 THR 6 6.820 -2.118 -4.284
39 HG22 THR 6 HG22 THR 6 5.187 -2.375 -4.901
40 HG23 THR 6 HG23 THR 6 6.407 -3.633 -5.082
41 H CYS 7 HN CYS 7 2.680 -2.218 -2.409
42 HA CYS 7 HA CYS 7 2.017 -3.264 0.240
43 HB2 CYS 7 HB2 CYS 7 1.042 -1.127 -0.867
44 HB3 CYS 7 HB1 CYS 7 0.100 -2.244 -1.845
45 H PHE 8 HN PHE 8 2.126 -5.462 0.154
46 HA PHE 8 HA PHE 8 1.813 -6.893 -2.268
47 HB2 PHE 8 HB2 PHE 8 2.164 -8.906 -0.860
48 HB3 PHE 8 HB1 PHE 8 3.393 -7.672 -0.650
49 HD1 PHE 8 HD2 PHE 8 0.382 -9.181 0.890
50 HD2 PHE 8 HD1 PHE 8 3.817 -6.729 1.471
51 HE1 PHE 8 HE2 PHE 8 -0.002 -9.221 3.315
52 HE2 PHE 8 HE1 PHE 8 3.429 -6.761 3.898
53 HZ PHE 8 HZ PHE 8 1.567 -8.074 4.829
54 H ARG 9 HN ARG 9 -0.594 -5.713 -0.312
55 HA ARG 9 HA ARG 9 -2.308 -8.041 -0.681
56 HB2 ARG 9 HB2 ARG 9 -2.560 -5.562 0.969
57 HB3 ARG 9 HB1 ARG 9 -3.983 -6.523 0.594
58 HG2 ARG 9 HG2 ARG 9 -2.861 -8.498 1.565
59 HG3 ARG 9 HG1 ARG 9 -1.507 -7.466 2.026
60 HD2 ARG 9 HD2 ARG 9 -3.019 -7.820 3.902
61 HD3 ARG 9 HD1 ARG 9 -2.995 -6.126 3.416
62 HE ARG 9 HE ARG 9 -5.117 -7.652 2.198
63 HH11 ARG 9 HH11 ARG 9 -4.153 -5.801 5.000
64 HH12 ARG 9 HH12 ARG 9 -5.775 -5.400 5.460
65 HH21 ARG 9 HH21 ARG 9 -7.265 -7.112 2.797
66 HH22 ARG 9 HH22 ARG 9 -7.546 -6.135 4.201
67 H CYS 10 HN CYS 10 -2.003 -4.729 -1.847
68 HA CYS 10 HA CYS 10 -4.336 -5.246 -3.560
69 HB2 CYS 10 HB2 CYS 10 -4.499 -2.824 -3.871
70 HB3 CYS 10 HB1 CYS 10 -4.552 -3.246 -2.163
71 H GLY 11 HN GLY 11 -0.952 -4.931 -3.553
72 HA2 GLY 11 HA2 GLY 11 0.409 -5.489 -5.386
73 HA3 GLY 11 HA1 GLY 11 -0.932 -5.138 -6.467
74 H GLY 12 HN GLY 12 -1.058 -2.609 -4.521
75 HA2 GLY 12 HA2 GLY 12 0.341 -0.901 -6.382
76 HA3 GLY 12 HA1 GLY 12 -0.616 -0.384 -4.997
77 H MET 13 HN MET 13 1.630 0.965 -5.348
78 HA MET 13 HA MET 13 3.294 -0.018 -3.152
79 HB2 MET 13 HB2 MET 13 5.307 0.797 -4.292
80 HB3 MET 13 HB1 MET 13 4.511 -0.465 -5.214
81 HG2 MET 13 HG2 MET 13 4.189 2.466 -5.786
82 HG3 MET 13 HG1 MET 13 5.401 1.445 -6.552
83 HE1 MET 13 HE1 MET 13 4.827 -0.606 -8.112
84 HE2 MET 13 HE2 MET 13 3.192 -1.078 -8.571
85 HE3 MET 13 HE3 MET 13 3.744 -1.314 -6.913
86 H GLY 14 HN GLY 14 3.950 1.527 -1.709
87 HA2 GLY 14 HA2 GLY 14 4.419 3.989 -1.465
88 HA3 GLY 14 HA1 GLY 14 2.855 4.223 -2.227
89 H HIS 15 HN HIS 15 1.783 1.856 -0.681
90 HA HIS 15 HA HIS 15 1.747 3.082 1.971
91 HB2 HIS 15 HB2 HIS 15 -0.628 2.801 2.201
92 HB3 HIS 15 HB1 HIS 15 -0.293 3.765 0.774
93 HD1 HIS 15 HD1 HIS 15 -0.373 2.139 -1.573
94 HD2 HIS 15 HD2 HIS 15 -2.498 1.016 1.818
95 HE1 HIS 15 HE1 HIS 15 -2.238 0.605 -2.366
96 H TRP 16 HN TRP 16 0.736 1.624 3.617
97 HA TRP 16 HA TRP 16 2.140 -0.893 3.458
98 HB2 TRP 16 HB2 TRP 16 0.522 0.256 5.742
99 HB3 TRP 16 HB1 TRP 16 1.604 -1.126 5.835
100 HD1 TRP 16 HD1 TRP 16 1.547 2.519 6.418
101 HE1 TRP 16 HE1 TRP 16 3.918 3.437 6.763
102 HE3 TRP 16 HE3 TRP 16 4.250 -1.529 4.807
103 HZ2 TRP 16 HZ2 TRP 16 6.580 2.572 6.401
104 HZ3 TRP 16 HZ3 TRP 16 6.698 -1.390 4.842
105 HH2 TRP 16 HH2 TRP 16 7.839 0.618 5.624
106 H ALA 17 HN ALA 17 1.226 -2.904 3.861
107 HA ALA 17 HA ALA 17 -0.833 -3.492 2.132
108 HB1 ALA 17 HB1 ALA 17 -0.678 -5.761 2.959
109 HB2 ALA 17 HB2 ALA 17 0.198 -5.199 4.381
110 HB3 ALA 17 HB3 ALA 17 0.923 -5.044 2.781
111 H SER 18 HN SER 18 -1.104 -2.754 5.546
112 HA SER 18 HA SER 18 -3.845 -3.790 5.571
113 HB2 SER 18 HB2 SER 18 -2.339 -2.595 7.899
114 HB3 SER 18 HB1 SER 18 -3.755 -3.642 7.946
115 HG SER 18 HG SER 18 -2.430 -5.302 7.036
116 H GLN 19 HN GLN 19 -2.669 -1.144 4.360
117 HA GLN 19 HA GLN 19 -4.681 0.633 5.577
118 HB2 GLN 19 HB2 GLN 19 -1.957 1.454 4.551
119 HB3 GLN 19 HB1 GLN 19 -3.168 2.524 5.235
120 HG2 GLN 19 HG2 GLN 19 -1.853 0.280 6.744
121 HG3 GLN 19 HG1 GLN 19 -1.297 1.949 6.769
122 HE21 GLN 19 HE21 GLN 19 -1.632 2.216 8.945
123 HE22 GLN 19 HE22 GLN 19 -3.202 2.287 9.660
124 H CYS 20 HN CYS 20 -4.839 -1.081 3.178
125 HA CYS 20 HA CYS 20 -4.500 0.387 0.812
126 HB2 CYS 20 HB2 CYS 20 -6.417 -1.847 1.494
127 HB3 CYS 20 HB1 CYS 20 -6.185 -1.226 -0.133
128 HA PRO 21 HA PRO 21 -7.788 3.307 1.664
129 HB2 PRO 21 HB2 PRO 21 -7.248 5.052 -0.292
130 HB3 PRO 21 HB1 PRO 21 -6.194 4.889 1.117
131 HG2 PRO 21 HG2 PRO 21 -5.857 3.779 -1.637
132 HG3 PRO 21 HG1 PRO 21 -4.649 4.520 -0.572
133 HD2 PRO 21 HD2 PRO 21 -4.980 1.811 -0.888
134 HD3 PRO 21 HD1 PRO 21 -4.271 2.567 0.551
135 H GLY 22 HN GLY 22 -9.783 3.857 0.817
136 HA2 GLY 22 HA2 GLY 22 -10.653 2.318 -1.509
137 HA3 GLY 22 HA1 GLY 22 -11.694 3.188 -0.387
138 H SER 23 HN SER 23 -9.656 3.442 -3.203
139 HA SER 23 HA SER 23 -10.062 6.276 -3.498
140 HB2 SER 23 HB2 SER 23 -8.937 4.318 -5.511
141 HB3 SER 23 HB1 SER 23 -8.722 6.070 -5.495
142 HG SER 23 HG SER 23 -7.880 5.419 -3.186
143 H VAL 24 HN VAL 24 -12.516 5.460 -3.293
144 HA VAL 24 HA VAL 24 -13.581 5.430 -6.035
145 HB VAL 24 HB VAL 24 -15.491 4.065 -5.224
146 HG11 VAL 24 HG11 VAL 24 -14.314 1.929 -5.179
147 HG12 VAL 24 HG12 VAL 24 -12.796 2.768 -4.861
148 HG13 VAL 24 HG13 VAL 24 -13.632 3.008 -6.394
149 HG21 VAL 24 HG21 VAL 24 -15.279 2.844 -3.104
150 HG22 VAL 24 HG22 VAL 24 -15.368 4.588 -2.856
151 HG23 VAL 24 HG23 VAL 24 -13.816 3.760 -2.735
152 HA PRO 25 HA PRO 25 -16.052 8.864 -4.661
153 HB2 PRO 25 HB2 PRO 25 -18.229 8.575 -6.272
154 HB3 PRO 25 HB1 PRO 25 -16.683 9.215 -6.836
155 HG2 PRO 25 HG2 PRO 25 -17.825 6.471 -7.143
156 HG3 PRO 25 HG1 PRO 25 -16.907 7.441 -8.309
157 HD2 PRO 25 HD2 PRO 25 -15.808 5.420 -6.858
158 HD3 PRO 25 HD1 PRO 25 -14.882 6.832 -7.410
Start of MODEL 6
1 H1 ASN 1 HT1 ASN 1 16.985 4.157 2.972
2 H2 ASN 1 HT2 ASN 1 15.698 5.254 2.971
3 H3 ASN 1 HT3 ASN 1 16.013 4.314 1.601
4 HA ASN 1 HA ASN 1 15.439 2.318 2.740
5 HB2 ASN 1 HB2 ASN 1 14.476 2.465 5.043
6 HB3 ASN 1 HB1 ASN 1 16.192 2.849 4.965
7 HD21 ASN 1 HD21 ASN 1 13.032 4.022 5.663
8 HD22 ASN 1 HD22 ASN 1 13.507 5.579 6.242
9 H ARG 2 HN ARG 2 14.303 4.118 0.913
10 HA ARG 2 HA ARG 2 11.482 4.173 1.747
11 HB2 ARG 2 HB2 ARG 2 11.117 5.827 -0.011
12 HB3 ARG 2 HB1 ARG 2 12.371 6.366 1.094
13 HG2 ARG 2 HG2 ARG 2 14.073 5.986 -0.471
14 HG3 ARG 2 HG1 ARG 2 13.029 4.986 -1.485
15 HD2 ARG 2 HD2 ARG 2 12.770 7.960 -1.028
16 HD3 ARG 2 HD1 ARG 2 13.313 7.167 -2.511
17 HE ARG 2 HE ARG 2 10.872 6.089 -2.124
18 HH11 ARG 2 HH11 ARG 2 12.017 9.395 -2.232
19 HH12 ARG 2 HH12 ARG 2 10.492 10.035 -2.757
20 HH21 ARG 2 HH21 ARG 2 8.875 6.928 -2.812
21 HH22 ARG 2 HH22 ARG 2 8.706 8.633 -3.084
22 H SER 3 HN SER 3 12.863 1.815 0.880
23 HA SER 3 HA SER 3 11.465 1.294 -1.655
24 HB2 SER 3 HB2 SER 3 13.271 -0.520 -1.931
25 HB3 SER 3 HB1 SER 3 13.769 1.157 -2.163
26 HG SER 3 HG SER 3 14.355 -0.615 -0.078
27 H GLY 4 HN GLY 4 10.485 1.044 1.091
28 HA2 GLY 4 HA2 GLY 4 10.063 -1.880 1.147
29 HA3 GLY 4 HA1 GLY 4 10.166 -0.903 2.602
30 H ASP 5 HN ASP 5 8.584 1.012 0.527
31 HA ASP 5 HA ASP 5 6.039 0.421 1.748
32 HB2 ASP 5 HB2 ASP 5 5.263 2.436 0.448
33 HB3 ASP 5 HB1 ASP 5 6.576 2.738 1.578
34 H THR 6 HN THR 6 6.067 -1.727 0.710
35 HA THR 6 HA THR 6 4.819 -1.598 -1.956
36 HB THR 6 HB THR 6 6.198 -4.049 -0.867
37 HG1 THR 6 HG1 THR 6 7.331 -1.754 -2.069
38 HG21 THR 6 HG21 THR 6 5.564 -3.096 -3.660
39 HG22 THR 6 HG22 THR 6 4.726 -4.369 -2.774
40 HG23 THR 6 HG23 THR 6 6.405 -4.592 -3.256
41 H CYS 7 HN CYS 7 2.705 -1.986 -1.803
42 HA CYS 7 HA CYS 7 1.657 -3.389 0.521
43 HB2 CYS 7 HB2 CYS 7 0.755 -1.181 -0.492
44 HB3 CYS 7 HB1 CYS 7 0.039 -2.214 -1.723
45 H PHE 8 HN PHE 8 1.965 -5.553 0.215
46 HA PHE 8 HA PHE 8 1.659 -6.784 -2.340
47 HB2 PHE 8 HB2 PHE 8 2.023 -8.906 -1.100
48 HB3 PHE 8 HB1 PHE 8 3.269 -7.704 -0.815
49 HD1 PHE 8 HD2 PHE 8 0.234 -9.247 0.648
50 HD2 PHE 8 HD1 PHE 8 3.779 -7.000 1.368
51 HE1 PHE 8 HE2 PHE 8 -0.085 -9.525 3.066
52 HE2 PHE 8 HE1 PHE 8 3.460 -7.274 3.787
53 HZ PHE 8 HZ PHE 8 1.528 -8.539 4.641
54 H ARG 9 HN ARG 9 -0.606 -5.719 -0.189
55 HA ARG 9 HA ARG 9 -2.452 -7.925 -0.437
56 HB2 ARG 9 HB2 ARG 9 -2.645 -5.199 0.812
57 HB3 ARG 9 HB1 ARG 9 -4.060 -6.222 0.625
58 HG2 ARG 9 HG2 ARG 9 -1.565 -7.113 2.044
59 HG3 ARG 9 HG1 ARG 9 -2.921 -6.331 2.862
60 HD2 ARG 9 HD2 ARG 9 -4.403 -8.126 2.083
61 HD3 ARG 9 HD1 ARG 9 -3.039 -8.901 1.283
62 HE ARG 9 HE ARG 9 -2.353 -8.562 3.963
63 HH11 ARG 9 HH11 ARG 9 -4.715 -10.327 2.079
64 HH12 ARG 9 HH12 ARG 9 -4.826 -11.637 3.208
65 HH21 ARG 9 HH21 ARG 9 -2.508 -10.287 5.469
66 HH22 ARG 9 HH22 ARG 9 -3.577 -11.614 5.141
67 H CYS 10 HN CYS 10 -2.108 -4.684 -1.849
68 HA CYS 10 HA CYS 10 -4.307 -5.387 -3.674
69 HB2 CYS 10 HB2 CYS 10 -4.619 -2.995 -4.058
70 HB3 CYS 10 HB1 CYS 10 -4.727 -3.368 -2.340
71 H GLY 11 HN GLY 11 -0.961 -4.845 -3.455
72 HA2 GLY 11 HA2 GLY 11 0.552 -5.396 -5.162
73 HA3 GLY 11 HA1 GLY 11 -0.734 -5.185 -6.341
74 H GLY 12 HN GLY 12 -0.843 -2.569 -4.300
75 HA2 GLY 12 HA2 GLY 12 0.504 -0.929 -6.307
76 HA3 GLY 12 HA1 GLY 12 -0.589 -0.350 -5.058
77 H MET 13 HN MET 13 1.993 0.728 -5.733
78 HA MET 13 HA MET 13 3.479 0.126 -3.268
79 HB2 MET 13 HB2 MET 13 4.370 1.436 -5.840
80 HB3 MET 13 HB1 MET 13 5.354 1.385 -4.384
81 HG2 MET 13 HG2 MET 13 5.269 -1.079 -4.461
82 HG3 MET 13 HG1 MET 13 4.385 -0.973 -5.981
83 HE1 MET 13 HE1 MET 13 7.946 -2.219 -7.072
84 HE2 MET 13 HE2 MET 13 6.216 -2.553 -7.109
85 HE3 MET 13 HE3 MET 13 7.096 -2.631 -5.583
86 H GLY 14 HN GLY 14 3.976 1.753 -1.832
87 HA2 GLY 14 HA2 GLY 14 4.081 4.272 -1.608
88 HA3 GLY 14 HA1 GLY 14 2.452 4.245 -2.263
89 H HIS 15 HN HIS 15 1.666 1.851 -0.802
90 HA HIS 15 HA HIS 15 1.748 2.884 1.932
91 HB2 HIS 15 HB2 HIS 15 -0.602 2.422 2.277
92 HB3 HIS 15 HB1 HIS 15 -0.386 3.566 0.965
93 HD1 HIS 15 HD1 HIS 15 -0.394 2.029 -1.551
94 HD2 HIS 15 HD2 HIS 15 -2.595 0.837 1.761
95 HE1 HIS 15 HE1 HIS 15 -2.317 0.619 -2.436
96 H TRP 16 HN TRP 16 0.903 1.275 3.514
97 HA TRP 16 HA TRP 16 2.407 -1.159 3.084
98 HB2 TRP 16 HB2 TRP 16 0.984 -0.214 5.581
99 HB3 TRP 16 HB1 TRP 16 2.208 -1.474 5.479
100 HD1 TRP 16 HD1 TRP 16 1.799 2.271 5.733
101 HE1 TRP 16 HE1 TRP 16 4.098 3.388 5.945
102 HE3 TRP 16 HE3 TRP 16 4.768 -1.778 4.714
103 HZ2 TRP 16 HZ2 TRP 16 6.821 2.654 5.712
104 HZ3 TRP 16 HZ3 TRP 16 7.206 -1.474 4.729
105 HH2 TRP 16 HH2 TRP 16 8.210 0.694 5.216
106 H ALA 17 HN ALA 17 1.517 -3.226 3.809
107 HA ALA 17 HA ALA 17 -0.377 -4.103 2.112
108 HB1 ALA 17 HB1 ALA 17 -0.512 -6.120 3.447
109 HB2 ALA 17 HB2 ALA 17 0.188 -5.268 4.823
110 HB3 ALA 17 HB3 ALA 17 1.147 -5.523 3.363
111 H SER 18 HN SER 18 -1.100 -3.331 5.533
112 HA SER 18 HA SER 18 -3.918 -3.884 4.954
113 HB2 SER 18 HB2 SER 18 -2.785 -4.976 6.909
114 HB3 SER 18 HB1 SER 18 -2.623 -3.382 7.645
115 HG SER 18 HG SER 18 -5.146 -3.627 6.936
116 H GLN 19 HN GLN 19 -2.596 -1.392 4.042
117 HA GLN 19 HA GLN 19 -4.345 0.486 5.487
118 HB2 GLN 19 HB2 GLN 19 -1.599 1.043 4.376
119 HB3 GLN 19 HB1 GLN 19 -2.678 2.262 5.033
120 HG2 GLN 19 HG2 GLN 19 -2.612 1.116 7.206
121 HG3 GLN 19 HG1 GLN 19 -1.479 -0.055 6.533
122 HE21 GLN 19 HE21 GLN 19 -1.421 3.328 5.687
123 HE22 GLN 19 HE22 GLN 19 0.055 3.710 6.495
124 H CYS 20 HN CYS 20 -4.820 -1.072 3.031
125 HA CYS 20 HA CYS 20 -4.553 0.487 0.718
126 HB2 CYS 20 HB2 CYS 20 -6.645 -1.561 1.473
127 HB3 CYS 20 HB1 CYS 20 -6.466 -0.895 -0.142
128 HA PRO 21 HA PRO 21 -7.293 3.850 1.499
129 HB2 PRO 21 HB2 PRO 21 -8.005 4.407 -1.110
130 HB3 PRO 21 HB1 PRO 21 -6.526 4.970 -0.330
131 HG2 PRO 21 HG2 PRO 21 -6.935 2.677 -2.190
132 HG3 PRO 21 HG1 PRO 21 -5.571 3.801 -2.076
133 HD2 PRO 21 HD2 PRO 21 -5.460 1.291 -1.095
134 HD3 PRO 21 HD1 PRO 21 -4.598 2.642 -0.334
135 H GLY 22 HN GLY 22 -9.267 3.634 2.288
136 HA2 GLY 22 HA2 GLY 22 -11.140 1.804 0.942
137 HA3 GLY 22 HA1 GLY 22 -11.216 2.272 2.634
138 H SER 23 HN SER 23 -10.648 5.115 1.768
139 HA SER 23 HA SER 23 -13.415 5.846 1.376
140 HB2 SER 23 HB2 SER 23 -11.022 7.680 1.617
141 HB3 SER 23 HB1 SER 23 -12.716 8.084 1.901
142 HG SER 23 HG SER 23 -12.112 6.025 3.459
143 H VAL 24 HN VAL 24 -12.802 4.563 -0.812
144 HA VAL 24 HA VAL 24 -12.275 6.630 -2.830
145 HB VAL 24 HB VAL 24 -11.437 4.768 -4.304
146 HG11 VAL 24 HG11 VAL 24 -9.208 4.702 -3.275
147 HG12 VAL 24 HG12 VAL 24 -9.893 5.335 -1.780
148 HG13 VAL 24 HG13 VAL 24 -9.904 6.321 -3.241
149 HG21 VAL 24 HG21 VAL 24 -11.328 3.237 -1.705
150 HG22 VAL 24 HG22 VAL 24 -10.663 2.710 -3.251
151 HG23 VAL 24 HG23 VAL 24 -12.406 2.891 -3.056
152 HA PRO 25 HA PRO 25 -16.284 5.470 -4.330
153 HB2 PRO 25 HB2 PRO 25 -16.271 6.878 -6.620
154 HB3 PRO 25 HB1 PRO 25 -16.389 7.661 -5.041
155 HG2 PRO 25 HG2 PRO 25 -14.009 7.343 -6.824
156 HG3 PRO 25 HG1 PRO 25 -14.523 8.753 -5.879
157 HD2 PRO 25 HD2 PRO 25 -12.571 7.007 -5.076
158 HD3 PRO 25 HD1 PRO 25 -13.557 7.973 -3.959
Start of MODEL 7
1 H1 ASN 1 HT1 ASN 1 17.006 4.481 -3.492
2 H2 ASN 1 HT2 ASN 1 15.765 3.620 -4.253
3 H3 ASN 1 HT3 ASN 1 17.228 2.852 -3.896
4 HA ASN 1 HA ASN 1 15.532 2.189 -2.341
5 HB2 ASN 1 HB2 ASN 1 16.715 2.691 -0.275
6 HB3 ASN 1 HB1 ASN 1 17.878 2.382 -1.557
7 HD21 ASN 1 HD21 ASN 1 18.157 3.865 0.946
8 HD22 ASN 1 HD22 ASN 1 18.686 5.448 0.497
9 H ARG 2 HN ARG 2 14.711 3.122 -0.069
10 HA ARG 2 HA ARG 2 13.178 4.372 1.011
11 HB2 ARG 2 HB2 ARG 2 14.199 6.602 -0.755
12 HB3 ARG 2 HB1 ARG 2 13.098 6.826 0.596
13 HG2 ARG 2 HG2 ARG 2 15.938 5.831 0.727
14 HG3 ARG 2 HG1 ARG 2 15.332 7.393 1.280
15 HD2 ARG 2 HD2 ARG 2 14.666 4.678 2.410
16 HD3 ARG 2 HD1 ARG 2 15.627 5.940 3.175
17 HE ARG 2 HE ARG 2 13.263 7.169 2.766
18 HH11 ARG 2 HH11 ARG 2 14.138 4.127 4.260
19 HH12 ARG 2 HH12 ARG 2 12.769 4.116 5.325
20 HH21 ARG 2 HH21 ARG 2 11.468 7.157 4.169
21 HH22 ARG 2 HH22 ARG 2 11.249 5.840 5.278
22 H SER 3 HN SER 3 12.499 2.873 -1.310
23 HA SER 3 HA SER 3 9.851 3.982 -1.706
24 HB2 SER 3 HB2 SER 3 11.594 3.245 -4.078
25 HB3 SER 3 HB1 SER 3 9.897 3.718 -4.150
26 HG SER 3 HG SER 3 11.378 5.537 -2.787
27 H GLY 4 HN GLY 4 10.811 1.847 -0.185
28 HA2 GLY 4 HA2 GLY 4 10.071 -0.548 -1.729
29 HA3 GLY 4 HA1 GLY 4 10.927 -0.548 -0.193
30 H ASP 5 HN ASP 5 8.178 1.496 -0.657
31 HA ASP 5 HA ASP 5 6.726 0.071 1.410
32 HB2 ASP 5 HB2 ASP 5 6.113 2.611 -0.124
33 HB3 ASP 5 HB1 ASP 5 5.020 1.911 1.063
34 H THR 6 HN THR 6 6.631 -1.846 -0.007
35 HA THR 6 HA THR 6 4.774 -1.662 -2.237
36 HB THR 6 HB THR 6 5.357 -4.149 -2.434
37 HG1 THR 6 HG1 THR 6 6.246 -4.282 -0.274
38 HG21 THR 6 HG21 THR 6 7.518 -3.647 -3.510
39 HG22 THR 6 HG22 THR 6 7.505 -2.054 -2.753
40 HG23 THR 6 HG23 THR 6 6.268 -2.481 -3.934
41 H CYS 7 HN CYS 7 2.727 -2.251 -2.126
42 HA CYS 7 HA CYS 7 1.760 -3.363 0.396
43 HB2 CYS 7 HB2 CYS 7 0.847 -1.245 -0.888
44 HB3 CYS 7 HB1 CYS 7 -0.026 -2.454 -1.821
45 H PHE 8 HN PHE 8 2.044 -5.508 0.284
46 HA PHE 8 HA PHE 8 1.954 -6.981 -2.135
47 HB2 PHE 8 HB2 PHE 8 2.237 -8.950 -0.561
48 HB3 PHE 8 HB1 PHE 8 3.480 -7.709 -0.483
49 HD1 PHE 8 HD2 PHE 8 0.496 -9.065 1.221
50 HD2 PHE 8 HD1 PHE 8 3.886 -6.502 1.518
51 HE1 PHE 8 HE2 PHE 8 0.115 -8.842 3.639
52 HE2 PHE 8 HE1 PHE 8 3.505 -6.278 3.938
53 HZ PHE 8 HZ PHE 8 1.619 -7.446 5.000
54 H ARG 9 HN ARG 9 -0.578 -5.837 -0.372
55 HA ARG 9 HA ARG 9 -2.207 -8.240 -0.709
56 HB2 ARG 9 HB2 ARG 9 -2.643 -5.710 0.855
57 HB3 ARG 9 HB1 ARG 9 -3.917 -6.892 0.597
58 HG2 ARG 9 HG2 ARG 9 -1.276 -7.477 1.915
59 HG3 ARG 9 HG1 ARG 9 -2.779 -7.140 2.769
60 HD2 ARG 9 HD2 ARG 9 -2.354 -9.422 0.840
61 HD3 ARG 9 HD1 ARG 9 -2.293 -9.556 2.596
62 HE ARG 9 HE ARG 9 -4.725 -8.471 2.188
63 HH11 ARG 9 HH11 ARG 9 -3.130 -11.261 0.786
64 HH12 ARG 9 HH12 ARG 9 -4.612 -12.123 0.516
65 HH21 ARG 9 HH21 ARG 9 -6.668 -9.610 1.829
66 HH22 ARG 9 HH22 ARG 9 -6.616 -11.191 1.113
67 H CYS 10 HN CYS 10 -2.015 -4.888 -1.808
68 HA CYS 10 HA CYS 10 -4.301 -5.453 -3.560
69 HB2 CYS 10 HB2 CYS 10 -4.675 -3.070 -3.742
70 HB3 CYS 10 HB1 CYS 10 -4.580 -3.514 -2.042
71 H GLY 11 HN GLY 11 -0.924 -4.853 -3.506
72 HA2 GLY 11 HA2 GLY 11 0.462 -5.359 -5.349
73 HA3 GLY 11 HA1 GLY 11 -0.890 -5.052 -6.426
74 H GLY 12 HN GLY 12 -0.988 -2.539 -4.357
75 HA2 GLY 12 HA2 GLY 12 0.283 -0.792 -6.291
76 HA3 GLY 12 HA1 GLY 12 -0.672 -0.292 -4.902
77 H MET 13 HN MET 13 1.558 1.101 -5.415
78 HA MET 13 HA MET 13 3.390 0.220 -3.283
79 HB2 MET 13 HB2 MET 13 4.105 1.724 -5.810
80 HB3 MET 13 HB1 MET 13 5.217 1.357 -4.501
81 HG2 MET 13 HG2 MET 13 4.872 -1.044 -4.916
82 HG3 MET 13 HG1 MET 13 3.824 -0.638 -6.270
83 HE1 MET 13 HE1 MET 13 8.373 0.103 -6.098
84 HE2 MET 13 HE2 MET 13 7.440 -0.748 -4.867
85 HE3 MET 13 HE3 MET 13 7.249 0.993 -5.072
86 H GLY 14 HN GLY 14 4.108 1.794 -1.865
87 HA2 GLY 14 HA2 GLY 14 4.355 4.206 -1.392
88 HA3 GLY 14 HA1 GLY 14 2.793 4.426 -2.162
89 H HIS 15 HN HIS 15 2.062 1.769 -0.735
90 HA HIS 15 HA HIS 15 1.904 2.687 2.005
91 HB2 HIS 15 HB2 HIS 15 -0.465 2.585 2.199
92 HB3 HIS 15 HB1 HIS 15 -0.113 3.616 0.821
93 HD1 HIS 15 HD1 HIS 15 -0.215 1.979 -1.600
94 HD2 HIS 15 HD2 HIS 15 -2.499 1.036 1.739
95 HE1 HIS 15 HE1 HIS 15 -2.180 0.590 -2.435
96 H TRP 16 HN TRP 16 0.677 0.985 3.326
97 HA TRP 16 HA TRP 16 1.599 -1.649 2.420
98 HB2 TRP 16 HB2 TRP 16 1.671 -0.401 5.164
99 HB3 TRP 16 HB1 TRP 16 1.891 -2.126 4.903
100 HD1 TRP 16 HD1 TRP 16 3.614 1.231 4.302
101 HE1 TRP 16 HE1 TRP 16 6.083 0.821 3.739
102 HE3 TRP 16 HE3 TRP 16 3.513 -3.869 3.902
103 HZ2 TRP 16 HZ2 TRP 16 7.772 -1.380 3.196
104 HZ3 TRP 16 HZ3 TRP 16 5.603 -5.043 3.362
105 HH2 TRP 16 HH2 TRP 16 7.686 -3.826 3.014
106 H ALA 17 HN ALA 17 0.519 -3.449 3.641
107 HA ALA 17 HA ALA 17 -1.937 -3.810 2.617
108 HB1 ALA 17 HB1 ALA 17 -2.187 -5.709 4.079
109 HB2 ALA 17 HB2 ALA 17 -0.964 -5.066 5.173
110 HB3 ALA 17 HB3 ALA 17 -0.514 -5.568 3.543
111 H SER 18 HN SER 18 -1.371 -2.460 5.859
112 HA SER 18 HA SER 18 -4.171 -2.727 6.537
113 HB2 SER 18 HB2 SER 18 -1.981 -1.337 8.095
114 HB3 SER 18 HB1 SER 18 -3.540 -1.889 8.709
115 HG SER 18 HG SER 18 -2.466 -3.992 7.606
116 H GLN 19 HN GLN 19 -2.733 -0.601 4.550
117 HA GLN 19 HA GLN 19 -4.481 1.606 5.415
118 HB2 GLN 19 HB2 GLN 19 -1.643 1.773 4.414
119 HB3 GLN 19 HB1 GLN 19 -2.710 3.161 4.544
120 HG2 GLN 19 HG2 GLN 19 -2.026 1.391 6.869
121 HG3 GLN 19 HG1 GLN 19 -1.098 2.828 6.439
122 HE21 GLN 19 HE21 GLN 19 -4.141 1.637 7.669
123 HE22 GLN 19 HE22 GLN 19 -4.718 3.159 8.260
124 H CYS 20 HN CYS 20 -4.789 -0.535 3.317
125 HA CYS 20 HA CYS 20 -4.505 0.595 0.751
126 HB2 CYS 20 HB2 CYS 20 -6.405 -1.487 1.832
127 HB3 CYS 20 HB1 CYS 20 -6.401 -1.009 0.146
128 HA PRO 21 HA PRO 21 -7.545 3.913 1.183
129 HB2 PRO 21 HB2 PRO 21 -7.229 3.955 -1.767
130 HB3 PRO 21 HB1 PRO 21 -7.080 5.273 -0.602
131 HG2 PRO 21 HG2 PRO 21 -4.922 4.214 -1.751
132 HG3 PRO 21 HG1 PRO 21 -4.903 4.718 -0.051
133 HD2 PRO 21 HD2 PRO 21 -5.107 1.973 -1.214
134 HD3 PRO 21 HD1 PRO 21 -4.227 2.528 0.222
135 H GLY 22 HN GLY 22 -9.633 3.491 1.400
136 HA2 GLY 22 HA2 GLY 22 -11.133 2.375 -0.828
137 HA3 GLY 22 HA1 GLY 22 -11.138 1.426 0.650
138 H SER 23 HN SER 23 -11.164 3.560 2.493
139 HA SER 23 HA SER 23 -13.938 4.358 2.272
140 HB2 SER 23 HB2 SER 23 -12.937 3.494 4.417
141 HB3 SER 23 HB1 SER 23 -11.984 4.975 4.503
142 HG SER 23 HG SER 23 -14.728 5.267 4.131
143 H VAL 24 HN VAL 24 -10.821 5.669 1.752
144 HA VAL 24 HA VAL 24 -11.942 8.091 0.691
145 HB VAL 24 HB VAL 24 -11.703 8.673 3.086
146 HG11 VAL 24 HG11 VAL 24 -8.783 8.087 2.654
147 HG12 VAL 24 HG12 VAL 24 -9.894 7.220 3.715
148 HG13 VAL 24 HG13 VAL 24 -9.458 8.891 4.071
149 HG21 VAL 24 HG21 VAL 24 -9.762 10.094 1.270
150 HG22 VAL 24 HG22 VAL 24 -10.373 10.723 2.800
151 HG23 VAL 24 HG23 VAL 24 -11.481 10.444 1.456
152 HA PRO 25 HA PRO 25 -8.297 7.338 -1.806
153 HB2 PRO 25 HB2 PRO 25 -8.520 9.428 -3.489
154 HB3 PRO 25 HB1 PRO 25 -9.602 8.033 -3.580
155 HG2 PRO 25 HG2 PRO 25 -10.077 10.731 -2.394
156 HG3 PRO 25 HG1 PRO 25 -11.179 9.704 -3.328
157 HD2 PRO 25 HD2 PRO 25 -11.207 9.924 -0.584
158 HD3 PRO 25 HD1 PRO 25 -11.837 8.533 -1.481
Start of MODEL 8
1 H1 ASN 1 HT1 ASN 1 12.952 8.603 0.128
2 H2 ASN 1 HT2 ASN 1 12.233 9.664 1.225
3 H3 ASN 1 HT3 ASN 1 12.772 10.236 -0.272
4 HA ASN 1 HA ASN 1 10.389 10.018 -0.267
5 HB2 ASN 1 HB2 ASN 1 11.510 9.658 -2.388
6 HB3 ASN 1 HB1 ASN 1 11.847 7.982 -1.967
7 HD21 ASN 1 HD21 ASN 1 9.389 10.264 -2.907
8 HD22 ASN 1 HD22 ASN 1 8.208 9.095 -3.385
9 H ARG 2 HN ARG 2 9.026 9.245 1.195
10 HA ARG 2 HA ARG 2 9.272 6.490 2.111
11 HB2 ARG 2 HB2 ARG 2 8.932 8.364 3.728
12 HB3 ARG 2 HB1 ARG 2 7.350 8.645 3.016
13 HG2 ARG 2 HG2 ARG 2 6.588 6.476 3.736
14 HG3 ARG 2 HG1 ARG 2 8.201 6.074 4.330
15 HD2 ARG 2 HD2 ARG 2 6.490 8.340 5.354
16 HD3 ARG 2 HD1 ARG 2 6.657 6.767 6.136
17 HE ARG 2 HE ARG 2 9.220 7.673 5.854
18 HH11 ARG 2 HH11 ARG 2 6.316 8.920 7.346
19 HH12 ARG 2 HH12 ARG 2 7.168 9.786 8.583
20 HH21 ARG 2 HH21 ARG 2 10.358 8.831 7.459
21 HH22 ARG 2 HH22 ARG 2 9.475 9.744 8.640
22 H SER 3 HN SER 3 8.670 6.358 -0.429
23 HA SER 3 HA SER 3 5.940 5.330 -0.395
24 HB2 SER 3 HB2 SER 3 6.966 7.164 -2.581
25 HB3 SER 3 HB1 SER 3 5.404 6.349 -2.563
26 HG SER 3 HG SER 3 5.452 7.591 -0.306
27 H GLY 4 HN GLY 4 8.732 4.295 -0.395
28 HA2 GLY 4 HA2 GLY 4 8.775 2.906 -2.997
29 HA3 GLY 4 HA1 GLY 4 10.149 3.067 -1.915
30 H ASP 5 HN ASP 5 7.093 2.280 -0.559
31 HA ASP 5 HA ASP 5 8.118 -0.395 0.068
32 HB2 ASP 5 HB2 ASP 5 7.346 1.310 1.876
33 HB3 ASP 5 HB1 ASP 5 5.717 0.869 1.374
34 H THR 6 HN THR 6 7.041 -2.213 -0.571
35 HA THR 6 HA THR 6 4.989 -1.816 -2.586
36 HB THR 6 HB THR 6 5.310 -4.359 -2.848
37 HG1 THR 6 HG1 THR 6 6.416 -4.963 -1.060
38 HG21 THR 6 HG21 THR 6 7.612 -2.483 -3.400
39 HG22 THR 6 HG22 THR 6 6.204 -2.737 -4.432
40 HG23 THR 6 HG23 THR 6 7.356 -4.048 -4.173
41 H CYS 7 HN CYS 7 2.920 -2.432 -2.415
42 HA CYS 7 HA CYS 7 2.028 -3.388 0.210
43 HB2 CYS 7 HB2 CYS 7 1.166 -1.240 -1.053
44 HB3 CYS 7 HB1 CYS 7 0.185 -2.403 -1.937
45 H PHE 8 HN PHE 8 2.143 -5.574 0.143
46 HA PHE 8 HA PHE 8 1.795 -7.052 -2.257
47 HB2 PHE 8 HB2 PHE 8 2.068 -9.043 -0.765
48 HB3 PHE 8 HB1 PHE 8 3.368 -7.866 -0.665
49 HD1 PHE 8 HD2 PHE 8 0.312 -9.081 1.042
50 HD2 PHE 8 HD1 PHE 8 3.947 -6.889 1.390
51 HE1 PHE 8 HE2 PHE 8 0.010 -8.972 3.478
52 HE2 PHE 8 HE1 PHE 8 3.646 -6.771 3.824
53 HZ PHE 8 HZ PHE 8 1.726 -7.881 4.882
54 H ARG 9 HN ARG 9 -0.521 -5.707 -0.354
55 HA ARG 9 HA ARG 9 -2.377 -7.938 -0.539
56 HB2 ARG 9 HB2 ARG 9 -2.585 -5.206 0.704
57 HB3 ARG 9 HB1 ARG 9 -3.982 -6.255 0.522
58 HG2 ARG 9 HG2 ARG 9 -1.468 -7.030 1.974
59 HG3 ARG 9 HG1 ARG 9 -2.902 -6.356 2.755
60 HD2 ARG 9 HD2 ARG 9 -4.219 -8.251 1.851
61 HD3 ARG 9 HD1 ARG 9 -2.730 -8.933 1.199
62 HE ARG 9 HE ARG 9 -2.909 -8.411 4.079
63 HH11 ARG 9 HH11 ARG 9 -2.757 -10.706 1.435
64 HH12 ARG 9 HH12 ARG 9 -2.373 -12.049 2.465
65 HH21 ARG 9 HH21 ARG 9 -2.403 -10.176 5.425
66 HH22 ARG 9 HH22 ARG 9 -2.182 -11.750 4.727
67 H CYS 10 HN CYS 10 -2.192 -4.579 -1.730
68 HA CYS 10 HA CYS 10 -4.398 -5.184 -3.550
69 HB2 CYS 10 HB2 CYS 10 -4.481 -2.758 -3.948
70 HB3 CYS 10 HB1 CYS 10 -4.587 -3.128 -2.230
71 H GLY 11 HN GLY 11 -1.006 -4.931 -3.499
72 HA2 GLY 11 HA2 GLY 11 0.383 -5.531 -5.306
73 HA3 GLY 11 HA1 GLY 11 -0.928 -5.142 -6.412
74 H GLY 12 HN GLY 12 -1.078 -2.612 -4.497
75 HA2 GLY 12 HA2 GLY 12 0.325 -0.936 -6.374
76 HA3 GLY 12 HA1 GLY 12 -0.643 -0.397 -5.010
77 H MET 13 HN MET 13 1.479 1.042 -5.306
78 HA MET 13 HA MET 13 3.343 0.071 -3.246
79 HB2 MET 13 HB2 MET 13 4.018 1.714 -5.694
80 HB3 MET 13 HB1 MET 13 5.138 1.336 -4.394
81 HG2 MET 13 HG2 MET 13 4.904 -1.052 -4.921
82 HG3 MET 13 HG1 MET 13 3.844 -0.629 -6.264
83 HE1 MET 13 HE1 MET 13 4.614 0.780 -8.366
84 HE2 MET 13 HE2 MET 13 6.255 1.374 -8.611
85 HE3 MET 13 HE3 MET 13 5.249 2.062 -7.336
86 H GLY 14 HN GLY 14 4.131 1.673 -1.814
87 HA2 GLY 14 HA2 GLY 14 4.459 4.047 -1.358
88 HA3 GLY 14 HA1 GLY 14 2.938 4.351 -2.180
89 H HIS 15 HN HIS 15 1.973 1.809 -0.640
90 HA HIS 15 HA HIS 15 1.776 3.023 1.998
91 HB2 HIS 15 HB2 HIS 15 -0.596 2.841 2.145
92 HB3 HIS 15 HB1 HIS 15 -0.213 3.756 0.698
93 HD1 HIS 15 HD1 HIS 15 -0.397 2.175 -1.631
94 HD2 HIS 15 HD2 HIS 15 -2.414 0.976 1.802
95 HE1 HIS 15 HE1 HIS 15 -2.240 0.597 -2.389
96 H TRP 16 HN TRP 16 0.861 1.584 3.604
97 HA TRP 16 HA TRP 16 2.149 -0.977 3.390
98 HB2 TRP 16 HB2 TRP 16 0.593 0.221 5.691
99 HB3 TRP 16 HB1 TRP 16 1.676 -1.162 5.770
100 HD1 TRP 16 HD1 TRP 16 4.305 -0.684 5.641
101 HE1 TRP 16 HE1 TRP 16 5.690 1.427 6.105
102 HE3 TRP 16 HE3 TRP 16 0.555 2.798 5.515
103 HZ2 TRP 16 HZ2 TRP 16 5.257 4.204 6.380
104 HZ3 TRP 16 HZ3 TRP 16 1.135 5.156 5.886
105 HH2 TRP 16 HH2 TRP 16 3.434 5.842 6.310
106 H ALA 17 HN ALA 17 1.176 -2.943 3.853
107 HA ALA 17 HA ALA 17 -0.968 -3.556 2.247
108 HB1 ALA 17 HB1 ALA 17 0.708 -5.158 2.861
109 HB2 ALA 17 HB2 ALA 17 -0.883 -5.774 3.310
110 HB3 ALA 17 HB3 ALA 17 0.187 -5.111 4.543
111 H SER 18 HN SER 18 -1.093 -2.512 5.565
112 HA SER 18 HA SER 18 -3.862 -3.449 5.803
113 HB2 SER 18 HB2 SER 18 -2.085 -2.213 7.922
114 HB3 SER 18 HB1 SER 18 -3.653 -2.976 8.178
115 HG SER 18 HG SER 18 -2.668 -4.813 8.279
116 H GLN 19 HN GLN 19 -2.731 -1.016 4.263
117 HA GLN 19 HA GLN 19 -4.678 0.901 5.346
118 HB2 GLN 19 HB2 GLN 19 -1.857 1.479 4.446
119 HB3 GLN 19 HB1 GLN 19 -3.075 2.729 4.651
120 HG2 GLN 19 HG2 GLN 19 -2.148 0.863 6.822
121 HG3 GLN 19 HG1 GLN 19 -1.555 2.506 6.581
122 HE21 GLN 19 HE21 GLN 19 -4.190 3.508 5.798
123 HE22 GLN 19 HE22 GLN 19 -5.113 3.615 7.250
124 H CYS 20 HN CYS 20 -4.776 -1.028 3.091
125 HA CYS 20 HA CYS 20 -4.549 0.348 0.638
126 HB2 CYS 20 HB2 CYS 20 -6.306 -1.984 1.426
127 HB3 CYS 20 HB1 CYS 20 -6.088 -1.425 -0.226
128 HA PRO 21 HA PRO 21 -8.019 3.186 1.128
129 HB2 PRO 21 HB2 PRO 21 -7.759 3.287 -1.830
130 HB3 PRO 21 HB1 PRO 21 -7.795 4.609 -0.660
131 HG2 PRO 21 HG2 PRO 21 -5.519 3.882 -1.850
132 HG3 PRO 21 HG1 PRO 21 -5.549 4.400 -0.154
133 HD2 PRO 21 HD2 PRO 21 -5.312 1.651 -1.292
134 HD3 PRO 21 HD1 PRO 21 -4.555 2.346 0.156
135 H GLY 22 HN GLY 22 -10.011 2.422 1.391
136 HA2 GLY 22 HA2 GLY 22 -10.953 0.314 -0.442
137 HA3 GLY 22 HA1 GLY 22 -11.526 0.558 1.200
138 H SER 23 HN SER 23 -11.661 3.484 0.773
139 HA SER 23 HA SER 23 -14.337 3.550 -0.265
140 HB2 SER 23 HB2 SER 23 -12.561 5.757 0.788
141 HB3 SER 23 HB1 SER 23 -14.271 5.933 0.400
142 HG SER 23 HG SER 23 -13.609 3.843 2.106
143 H VAL 24 HN VAL 24 -13.159 2.739 -2.362
144 HA VAL 24 HA VAL 24 -12.856 5.096 -4.106
145 HB VAL 24 HB VAL 24 -11.479 2.438 -4.560
146 HG11 VAL 24 HG11 VAL 24 -11.163 5.113 -5.916
147 HG12 VAL 24 HG12 VAL 24 -11.943 3.685 -6.593
148 HG13 VAL 24 HG13 VAL 24 -10.212 3.666 -6.257
149 HG21 VAL 24 HG21 VAL 24 -9.394 3.546 -3.934
150 HG22 VAL 24 HG22 VAL 24 -10.530 3.521 -2.586
151 HG23 VAL 24 HG23 VAL 24 -10.288 5.005 -3.509
152 HA PRO 25 HA PRO 25 -16.551 2.971 -5.670
153 HB2 PRO 25 HB2 PRO 25 -16.781 5.409 -7.295
154 HB3 PRO 25 HB1 PRO 25 -17.929 4.716 -6.148
155 HG2 PRO 25 HG2 PRO 25 -16.566 6.975 -5.618
156 HG3 PRO 25 HG1 PRO 25 -17.000 5.811 -4.352
157 HD2 PRO 25 HD2 PRO 25 -14.368 6.234 -5.715
158 HD3 PRO 25 HD1 PRO 25 -14.709 5.875 -4.007
Start of MODEL 9
1 H1 ASN 1 HT1 ASN 1 11.133 3.208 -13.087
2 H2 ASN 1 HT2 ASN 1 12.416 3.412 -12.002
3 H3 ASN 1 HT3 ASN 1 11.105 4.476 -11.970
4 HA ASN 1 HA ASN 1 9.632 2.766 -11.241
5 HB2 ASN 1 HB2 ASN 1 12.088 1.015 -11.447
6 HB3 ASN 1 HB1 ASN 1 10.629 0.547 -10.584
7 HD21 ASN 1 HD21 ASN 1 8.756 0.099 -11.746
8 HD22 ASN 1 HD22 ASN 1 8.788 -0.217 -13.444
9 H ARG 2 HN ARG 2 9.218 2.765 -9.085
10 HA ARG 2 HA ARG 2 11.445 3.555 -7.323
11 HB2 ARG 2 HB2 ARG 2 8.510 4.279 -7.139
12 HB3 ARG 2 HB1 ARG 2 9.715 4.678 -5.919
13 HG2 ARG 2 HG2 ARG 2 10.933 6.018 -7.551
14 HG3 ARG 2 HG1 ARG 2 9.739 5.606 -8.784
15 HD2 ARG 2 HD2 ARG 2 7.995 6.701 -7.454
16 HD3 ARG 2 HD1 ARG 2 9.192 7.123 -6.227
17 HE ARG 2 HE ARG 2 10.089 8.104 -8.686
18 HH11 ARG 2 HH11 ARG 2 7.461 8.679 -6.442
19 HH12 ARG 2 HH12 ARG 2 7.290 10.345 -6.879
20 HH21 ARG 2 HH21 ARG 2 9.868 10.282 -9.258
21 HH22 ARG 2 HH22 ARG 2 8.657 11.263 -8.497
22 H SER 3 HN SER 3 11.201 2.818 -5.031
23 HA SER 3 HA SER 3 9.496 0.495 -4.670
24 HB2 SER 3 HB2 SER 3 11.552 -0.391 -5.764
25 HB3 SER 3 HB1 SER 3 12.513 0.267 -4.439
26 HG SER 3 HG SER 3 11.874 -1.307 -3.176
27 H GLY 4 HN GLY 4 9.610 -0.330 -2.425
28 HA2 GLY 4 HA2 GLY 4 10.828 0.320 -0.231
29 HA3 GLY 4 HA1 GLY 4 10.104 1.887 -0.561
30 H ASP 5 HN ASP 5 7.734 1.929 -0.790
31 HA ASP 5 HA ASP 5 6.522 0.394 1.337
32 HB2 ASP 5 HB2 ASP 5 5.299 2.454 -0.518
33 HB3 ASP 5 HB1 ASP 5 4.533 1.780 0.914
34 H THR 6 HN THR 6 6.651 -1.687 0.423
35 HA THR 6 HA THR 6 5.223 -2.262 -2.039
36 HB THR 6 HB THR 6 6.424 -4.305 -0.171
37 HG1 THR 6 HG1 THR 6 7.678 -2.358 -1.700
38 HG21 THR 6 HG21 THR 6 6.058 -4.221 -3.166
39 HG22 THR 6 HG22 THR 6 5.072 -5.139 -2.030
40 HG23 THR 6 HG23 THR 6 6.772 -5.547 -2.251
41 H CYS 7 HN CYS 7 3.080 -2.545 -1.997
42 HA CYS 7 HA CYS 7 1.833 -3.561 0.461
43 HB2 CYS 7 HB2 CYS 7 1.219 -1.319 -0.852
44 HB3 CYS 7 HB1 CYS 7 0.231 -2.439 -1.781
45 H PHE 8 HN PHE 8 1.841 -5.773 0.281
46 HA PHE 8 HA PHE 8 1.660 -7.061 -2.262
47 HB2 PHE 8 HB2 PHE 8 1.709 -9.170 -0.958
48 HB3 PHE 8 HB1 PHE 8 3.020 -8.073 -0.561
49 HD1 PHE 8 HD2 PHE 8 -0.320 -9.217 0.597
50 HD2 PHE 8 HD1 PHE 8 3.410 -7.466 1.657
51 HE1 PHE 8 HE2 PHE 8 -0.926 -9.365 2.975
52 HE2 PHE 8 HE1 PHE 8 2.807 -7.605 4.033
53 HZ PHE 8 HZ PHE 8 0.671 -8.643 4.699
54 H ARG 9 HN ARG 9 -0.722 -5.953 -0.098
55 HA ARG 9 HA ARG 9 -2.659 -8.004 -0.640
56 HB2 ARG 9 HB2 ARG 9 -2.852 -5.311 0.686
57 HB3 ARG 9 HB1 ARG 9 -4.272 -6.298 0.377
58 HG2 ARG 9 HG2 ARG 9 -3.267 -8.111 1.708
59 HG3 ARG 9 HG1 ARG 9 -1.902 -7.055 2.072
60 HD2 ARG 9 HD2 ARG 9 -3.473 -7.006 3.908
61 HD3 ARG 9 HD1 ARG 9 -3.469 -5.441 3.094
62 HE ARG 9 HE ARG 9 -5.515 -7.386 2.327
63 HH11 ARG 9 HH11 ARG 9 -4.687 -4.390 3.947
64 HH12 ARG 9 HH12 ARG 9 -6.344 -3.898 4.136
65 HH21 ARG 9 HH21 ARG 9 -7.681 -6.720 2.570
66 HH22 ARG 9 HH22 ARG 9 -8.035 -5.213 3.352
67 H CYS 10 HN CYS 10 -2.160 -4.686 -1.803
68 HA CYS 10 HA CYS 10 -4.331 -5.124 -3.725
69 HB2 CYS 10 HB2 CYS 10 -4.315 -2.693 -4.040
70 HB3 CYS 10 HB1 CYS 10 -4.510 -3.107 -2.340
71 H GLY 11 HN GLY 11 -0.950 -5.001 -3.453
72 HA2 GLY 11 HA2 GLY 11 0.609 -5.514 -5.097
73 HA3 GLY 11 HA1 GLY 11 -0.640 -5.312 -6.319
74 H GLY 12 HN GLY 12 -0.734 -2.711 -4.249
75 HA2 GLY 12 HA2 GLY 12 0.502 -1.047 -6.297
76 HA3 GLY 12 HA1 GLY 12 -0.561 -0.497 -5.011
77 H MET 13 HN MET 13 1.590 0.954 -5.488
78 HA MET 13 HA MET 13 3.437 0.300 -3.292
79 HB2 MET 13 HB2 MET 13 5.121 1.610 -4.441
80 HB3 MET 13 HB1 MET 13 4.477 0.410 -5.549
81 HG2 MET 13 HG2 MET 13 3.592 3.282 -5.482
82 HG3 MET 13 HG1 MET 13 4.842 2.657 -6.550
83 HE1 MET 13 HE1 MET 13 1.837 3.300 -8.976
84 HE2 MET 13 HE2 MET 13 3.514 3.684 -8.591
85 HE3 MET 13 HE3 MET 13 2.217 4.248 -7.540
86 H GLY 14 HN GLY 14 4.161 2.133 -1.999
87 HA2 GLY 14 HA2 GLY 14 4.075 4.517 -1.554
88 HA3 GLY 14 HA1 GLY 14 2.475 4.538 -2.278
89 H HIS 15 HN HIS 15 2.046 1.901 -0.709
90 HA HIS 15 HA HIS 15 1.902 2.927 1.988
91 HB2 HIS 15 HB2 HIS 15 -0.462 2.636 2.273
92 HB3 HIS 15 HB1 HIS 15 -0.195 3.715 0.913
93 HD1 HIS 15 HD1 HIS 15 -0.204 2.098 -1.525
94 HD2 HIS 15 HD2 HIS 15 -2.462 1.026 1.791
95 HE1 HIS 15 HE1 HIS 15 -2.082 0.611 -2.380
96 H TRP 16 HN TRP 16 0.879 1.218 3.448
97 HA TRP 16 HA TRP 16 2.127 -1.319 2.701
98 HB2 TRP 16 HB2 TRP 16 1.511 -0.160 5.424
99 HB3 TRP 16 HB1 TRP 16 2.215 -1.750 5.156
100 HD1 TRP 16 HD1 TRP 16 3.157 1.847 5.519
101 HE1 TRP 16 HE1 TRP 16 5.676 2.150 5.126
102 HE3 TRP 16 HE3 TRP 16 4.253 -2.772 3.591
103 HZ2 TRP 16 HZ2 TRP 16 7.845 0.638 4.133
104 HZ3 TRP 16 HZ3 TRP 16 6.572 -3.255 2.948
105 HH2 TRP 16 HH2 TRP 16 8.330 -1.586 3.213
106 H ALA 17 HN ALA 17 1.148 -3.272 3.706
107 HA ALA 17 HA ALA 17 -1.101 -3.877 2.337
108 HB1 ALA 17 HB1 ALA 17 -0.152 -5.157 4.883
109 HB2 ALA 17 HB2 ALA 17 0.368 -5.546 3.244
110 HB3 ALA 17 HB3 ALA 17 -1.289 -5.874 3.745
111 H SER 18 HN SER 18 -1.088 -2.901 5.773
112 HA SER 18 HA SER 18 -3.919 -3.440 5.969
113 HB2 SER 18 HB2 SER 18 -2.048 -2.168 7.978
114 HB3 SER 18 HB1 SER 18 -3.686 -2.731 8.300
115 HG SER 18 HG SER 18 -1.857 -4.529 7.174
116 H GLN 19 HN GLN 19 -2.441 -0.956 4.469
117 HA GLN 19 HA GLN 19 -4.376 0.994 5.530
118 HB2 GLN 19 HB2 GLN 19 -1.736 1.705 4.264
119 HB3 GLN 19 HB1 GLN 19 -2.829 2.773 5.126
120 HG2 GLN 19 HG2 GLN 19 -1.485 0.452 6.472
121 HG3 GLN 19 HG1 GLN 19 -0.703 2.018 6.312
122 HE21 GLN 19 HE21 GLN 19 -4.159 1.654 6.893
123 HE22 GLN 19 HE22 GLN 19 -4.130 2.277 8.495
124 H CYS 20 HN CYS 20 -4.353 -0.973 3.137
125 HA CYS 20 HA CYS 20 -4.470 0.447 0.744
126 HB2 CYS 20 HB2 CYS 20 -6.186 -1.857 1.689
127 HB3 CYS 20 HB1 CYS 20 -6.172 -1.265 0.039
128 HA PRO 21 HA PRO 21 -7.879 3.308 1.514
129 HB2 PRO 21 HB2 PRO 21 -8.076 3.177 -1.450
130 HB3 PRO 21 HB1 PRO 21 -7.963 4.588 -0.393
131 HG2 PRO 21 HG2 PRO 21 -5.878 3.786 -1.853
132 HG3 PRO 21 HG1 PRO 21 -5.660 4.434 -0.218
133 HD2 PRO 21 HD2 PRO 21 -5.534 1.611 -1.170
134 HD3 PRO 21 HD1 PRO 21 -4.595 2.418 0.101
135 H GLY 22 HN GLY 22 -9.797 2.545 2.151
136 HA2 GLY 22 HA2 GLY 22 -11.967 1.709 1.782
137 HA3 GLY 22 HA1 GLY 22 -11.401 0.960 0.296
138 H SER 23 HN SER 23 -9.281 0.355 2.852
139 HA SER 23 HA SER 23 -10.261 -2.382 3.043
140 HB2 SER 23 HB2 SER 23 -7.855 -2.012 2.644
141 HB3 SER 23 HB1 SER 23 -7.735 -1.145 4.172
142 HG SER 23 HG SER 23 -8.338 -3.083 5.232
143 H VAL 24 HN VAL 24 -10.226 0.534 4.842
144 HA VAL 24 HA VAL 24 -11.293 -0.899 7.184
145 HB VAL 24 HB VAL 24 -9.977 1.824 7.236
146 HG11 VAL 24 HG11 VAL 24 -10.809 -0.048 9.448
147 HG12 VAL 24 HG12 VAL 24 -11.593 1.471 9.013
148 HG13 VAL 24 HG13 VAL 24 -9.954 1.479 9.664
149 HG21 VAL 24 HG21 VAL 24 -8.325 0.122 6.650
150 HG22 VAL 24 HG22 VAL 24 -8.816 -0.841 8.042
151 HG23 VAL 24 HG23 VAL 24 -8.055 0.731 8.283
152 HA PRO 25 HA PRO 25 -14.884 1.454 5.590
153 HB2 PRO 25 HB2 PRO 25 -16.337 -0.516 7.224
154 HB3 PRO 25 HB1 PRO 25 -16.511 -0.138 5.507
155 HG2 PRO 25 HG2 PRO 25 -15.414 -2.444 6.343
156 HG3 PRO 25 HG1 PRO 25 -14.858 -1.615 4.875
157 HD2 PRO 25 HD2 PRO 25 -13.632 -1.658 7.612
158 HD3 PRO 25 HD1 PRO 25 -12.845 -1.774 6.023
Start of MODEL 10
1 H1 ASN 1 HT1 ASN 1 12.967 4.611 -6.182
2 H2 ASN 1 HT2 ASN 1 13.838 3.471 -7.075
3 H3 ASN 1 HT3 ASN 1 13.245 3.073 -5.547
4 HA ASN 1 HA ASN 1 11.602 3.705 -7.919
5 HB2 ASN 1 HB2 ASN 1 12.749 1.520 -8.074
6 HB3 ASN 1 HB1 ASN 1 12.070 1.061 -6.518
7 HD21 ASN 1 HD21 ASN 1 11.420 1.610 -9.882
8 HD22 ASN 1 HD22 ASN 1 9.854 0.884 -9.902
9 H ARG 2 HN ARG 2 11.497 2.167 -4.685
10 HA ARG 2 HA ARG 2 9.312 3.836 -3.862
11 HB2 ARG 2 HB2 ARG 2 7.688 2.006 -3.532
12 HB3 ARG 2 HB1 ARG 2 8.062 2.257 -5.232
13 HG2 ARG 2 HG2 ARG 2 9.643 0.351 -5.116
14 HG3 ARG 2 HG1 ARG 2 9.122 0.069 -3.452
15 HD2 ARG 2 HD2 ARG 2 6.836 -0.297 -4.223
16 HD3 ARG 2 HD1 ARG 2 7.333 0.013 -5.887
17 HE ARG 2 HE ARG 2 8.817 -2.099 -4.628
18 HH11 ARG 2 HH11 ARG 2 5.909 -1.308 -6.395
19 HH12 ARG 2 HH12 ARG 2 5.643 -2.928 -6.944
20 HH21 ARG 2 HH21 ARG 2 8.492 -4.231 -5.349
21 HH22 ARG 2 HH22 ARG 2 7.117 -4.600 -6.346
22 H SER 3 HN SER 3 11.919 3.259 -2.943
23 HA SER 3 HA SER 3 13.187 2.523 -1.204
24 HB2 SER 3 HB2 SER 3 12.047 2.931 1.077
25 HB3 SER 3 HB1 SER 3 12.265 4.305 -0.001
26 HG SER 3 HG SER 3 9.994 3.367 1.045
27 H GLY 4 HN GLY 4 10.395 1.478 0.567
28 HA2 GLY 4 HA2 GLY 4 10.711 -1.291 -0.241
29 HA3 GLY 4 HA1 GLY 4 11.118 -0.938 1.437
30 H ASP 5 HN ASP 5 8.746 0.969 -0.113
31 HA ASP 5 HA ASP 5 6.766 -0.017 1.804
32 HB2 ASP 5 HB2 ASP 5 6.829 2.485 0.096
33 HB3 ASP 5 HB1 ASP 5 5.524 2.067 1.199
34 H THR 6 HN THR 6 6.547 -1.961 0.490
35 HA THR 6 HA THR 6 5.012 -1.580 -1.983
36 HB THR 6 HB THR 6 6.381 -4.108 -1.041
37 HG1 THR 6 HG1 THR 6 8.093 -3.488 -2.355
38 HG21 THR 6 HG21 THR 6 4.621 -4.474 -2.681
39 HG22 THR 6 HG22 THR 6 6.203 -4.747 -3.409
40 HG23 THR 6 HG23 THR 6 5.327 -3.251 -3.738
41 H CYS 7 HN CYS 7 2.925 -2.150 -2.033
42 HA CYS 7 HA CYS 7 1.818 -3.412 0.365
43 HB2 CYS 7 HB2 CYS 7 1.036 -1.150 -0.761
44 HB3 CYS 7 HB1 CYS 7 0.130 -2.246 -1.801
45 H PHE 8 HN PHE 8 2.052 -5.575 0.028
46 HA PHE 8 HA PHE 8 1.546 -6.814 -2.494
47 HB2 PHE 8 HB2 PHE 8 1.780 -8.944 -1.137
48 HB3 PHE 8 HB1 PHE 8 3.165 -7.863 -1.126
49 HD1 PHE 8 HD2 PHE 8 0.260 -9.023 0.841
50 HD2 PHE 8 HD1 PHE 8 3.972 -6.937 0.887
51 HE1 PHE 8 HE2 PHE 8 0.225 -9.018 3.294
52 HE2 PHE 8 HE1 PHE 8 3.940 -6.931 3.345
53 HZ PHE 8 HZ PHE 8 2.063 -7.971 4.551
54 H ARG 9 HN ARG 9 -0.515 -5.669 -0.134
55 HA ARG 9 HA ARG 9 -2.491 -7.756 -0.267
56 HB2 ARG 9 HB2 ARG 9 -2.340 -5.078 1.053
57 HB3 ARG 9 HB1 ARG 9 -3.896 -5.873 0.883
58 HG2 ARG 9 HG2 ARG 9 -1.513 -7.174 2.172
59 HG3 ARG 9 HG1 ARG 9 -2.729 -6.256 3.063
60 HD2 ARG 9 HD2 ARG 9 -3.264 -8.693 1.367
61 HD3 ARG 9 HD1 ARG 9 -3.168 -8.673 3.126
62 HE ARG 9 HE ARG 9 -5.072 -6.824 2.602
63 HH11 ARG 9 HH11 ARG 9 -4.640 -10.150 1.587
64 HH12 ARG 9 HH12 ARG 9 -6.337 -10.463 1.454
65 HH21 ARG 9 HH21 ARG 9 -7.311 -7.230 2.428
66 HH22 ARG 9 HH22 ARG 9 -7.861 -8.795 1.924
67 H CYS 10 HN CYS 10 -1.838 -4.822 -2.008
68 HA CYS 10 HA CYS 10 -4.275 -5.333 -3.576
69 HB2 CYS 10 HB2 CYS 10 -4.478 -2.909 -3.964
70 HB3 CYS 10 HB1 CYS 10 -4.594 -3.310 -2.253
71 H GLY 11 HN GLY 11 -0.924 -5.075 -3.545
72 HA2 GLY 11 HA2 GLY 11 0.504 -5.558 -5.328
73 HA3 GLY 11 HA1 GLY 11 -0.826 -5.273 -6.442
74 H GLY 12 HN GLY 12 -0.827 -2.758 -4.326
75 HA2 GLY 12 HA2 GLY 12 0.370 -1.018 -6.322
76 HA3 GLY 12 HA1 GLY 12 -0.585 -0.517 -4.934
77 H MET 13 HN MET 13 1.463 1.000 -5.279
78 HA MET 13 HA MET 13 3.410 0.103 -3.265
79 HB2 MET 13 HB2 MET 13 5.214 1.126 -4.431
80 HB3 MET 13 HB1 MET 13 4.354 0.157 -5.618
81 HG2 MET 13 HG2 MET 13 3.315 2.101 -6.547
82 HG3 MET 13 HG1 MET 13 3.962 3.116 -5.262
83 HE1 MET 13 HE1 MET 13 4.887 4.828 -6.964
84 HE2 MET 13 HE2 MET 13 4.267 3.886 -8.321
85 HE3 MET 13 HE3 MET 13 5.944 4.431 -8.317
86 H GLY 14 HN GLY 14 4.230 1.768 -1.900
87 HA2 GLY 14 HA2 GLY 14 4.398 4.156 -1.422
88 HA3 GLY 14 HA1 GLY 14 2.792 4.337 -2.112
89 H HIS 15 HN HIS 15 1.598 2.090 -0.837
90 HA HIS 15 HA HIS 15 1.688 2.986 1.955
91 HB2 HIS 15 HB2 HIS 15 -0.665 2.714 2.188
92 HB3 HIS 15 HB1 HIS 15 -0.390 3.708 0.771
93 HD1 HIS 15 HD1 HIS 15 -0.537 2.117 -1.609
94 HD2 HIS 15 HD2 HIS 15 -2.527 0.909 1.833
95 HE1 HIS 15 HE1 HIS 15 -2.402 0.559 -2.360
96 H TRP 16 HN TRP 16 0.801 1.333 3.486
97 HA TRP 16 HA TRP 16 2.134 -1.168 2.810
98 HB2 TRP 16 HB2 TRP 16 1.494 0.176 5.413
99 HB3 TRP 16 HB1 TRP 16 1.929 -1.528 5.360
100 HD1 TRP 16 HD1 TRP 16 3.423 1.937 5.080
101 HE1 TRP 16 HE1 TRP 16 5.980 1.753 4.879
102 HE3 TRP 16 HE3 TRP 16 3.821 -3.122 4.434
103 HZ2 TRP 16 HZ2 TRP 16 7.912 -0.278 4.504
104 HZ3 TRP 16 HZ3 TRP 16 6.058 -4.101 4.162
105 HH2 TRP 16 HH2 TRP 16 8.060 -2.708 4.196
106 H ALA 17 HN ALA 17 1.265 -3.137 3.858
107 HA ALA 17 HA ALA 17 -0.917 -3.972 2.500
108 HB1 ALA 17 HB1 ALA 17 -0.922 -5.929 3.942
109 HB2 ALA 17 HB2 ALA 17 0.052 -5.063 5.130
110 HB3 ALA 17 HB3 ALA 17 0.723 -5.433 3.542
111 H SER 18 HN SER 18 -0.994 -2.983 5.940
112 HA SER 18 HA SER 18 -3.873 -3.405 5.980
113 HB2 SER 18 HB2 SER 18 -1.958 -2.552 8.163
114 HB3 SER 18 HB1 SER 18 -3.675 -2.870 8.396
115 HG SER 18 HG SER 18 -3.360 -4.984 8.067
116 H GLN 19 HN GLN 19 -2.784 -1.236 4.336
117 HA GLN 19 HA GLN 19 -4.396 0.913 5.508
118 HB2 GLN 19 HB2 GLN 19 -1.594 1.148 4.449
119 HB3 GLN 19 HB1 GLN 19 -2.673 2.535 4.519
120 HG2 GLN 19 HG2 GLN 19 -2.865 2.315 6.909
121 HG3 GLN 19 HG1 GLN 19 -1.900 0.840 6.879
122 HE21 GLN 19 HE21 GLN 19 0.312 0.981 6.662
123 HE22 GLN 19 HE22 GLN 19 1.174 2.478 6.780
124 H CYS 20 HN CYS 20 -4.710 -1.118 3.257
125 HA CYS 20 HA CYS 20 -4.649 0.277 0.797
126 HB2 CYS 20 HB2 CYS 20 -6.335 -2.055 1.715
127 HB3 CYS 20 HB1 CYS 20 -6.324 -1.458 0.065
128 HA PRO 21 HA PRO 21 -8.090 3.071 1.621
129 HB2 PRO 21 HB2 PRO 21 -7.990 3.450 -1.306
130 HB3 PRO 21 HB1 PRO 21 -7.866 4.646 -0.013
131 HG2 PRO 21 HG2 PRO 21 -5.738 3.914 -1.476
132 HG3 PRO 21 HG1 PRO 21 -5.600 4.331 0.241
133 HD2 PRO 21 HD2 PRO 21 -5.585 1.648 -1.068
134 HD3 PRO 21 HD1 PRO 21 -4.665 2.229 0.335
135 H GLY 22 HN GLY 22 -10.052 2.282 1.897
136 HA2 GLY 22 HA2 GLY 22 -11.403 0.974 -0.359
137 HA3 GLY 22 HA1 GLY 22 -11.345 0.147 1.194
138 H SER 23 HN SER 23 -11.686 2.240 2.931
139 HA SER 23 HA SER 23 -14.490 2.811 2.632
140 HB2 SER 23 HB2 SER 23 -12.572 3.724 4.789
141 HB3 SER 23 HB1 SER 23 -14.334 3.732 4.874
142 HG SER 23 HG SER 23 -13.646 1.281 4.242
143 H VAL 24 HN VAL 24 -13.460 3.977 0.538
144 HA VAL 24 HA VAL 24 -12.745 6.729 1.107
145 HB VAL 24 HB VAL 24 -12.546 6.953 -1.362
146 HG11 VAL 24 HG11 VAL 24 -10.604 6.343 -0.042
147 HG12 VAL 24 HG12 VAL 24 -10.566 5.516 -1.599
148 HG13 VAL 24 HG13 VAL 24 -11.045 4.639 -0.144
149 HG21 VAL 24 HG21 VAL 24 -13.194 4.005 -1.379
150 HG22 VAL 24 HG22 VAL 24 -12.659 4.952 -2.767
151 HG23 VAL 24 HG23 VAL 24 -14.218 5.291 -2.015
152 HA PRO 25 HA PRO 25 -16.923 8.159 0.698
153 HB2 PRO 25 HB2 PRO 25 -15.941 10.790 -0.051
154 HB3 PRO 25 HB1 PRO 25 -16.710 10.284 1.452
155 HG2 PRO 25 HG2 PRO 25 -14.089 10.994 1.274
156 HG3 PRO 25 HG1 PRO 25 -14.714 9.849 2.474
157 HD2 PRO 25 HD2 PRO 25 -13.257 9.308 -0.080
158 HD3 PRO 25 HD1 PRO 25 -13.125 8.494 1.494
Start of MODEL 11
1 H1 ASN 1 HT1 ASN 1 16.035 2.501 5.362
2 H2 ASN 1 HT2 ASN 1 16.726 1.926 6.796
3 H3 ASN 1 HT3 ASN 1 15.525 3.116 6.858
4 HA ASN 1 HA ASN 1 15.172 0.336 5.909
5 HB2 ASN 1 HB2 ASN 1 13.853 -0.022 7.916
6 HB3 ASN 1 HB1 ASN 1 15.461 0.535 8.364
7 HD21 ASN 1 HD21 ASN 1 12.936 0.640 9.833
8 HD22 ASN 1 HD22 ASN 1 12.690 2.305 10.219
9 H ARG 2 HN ARG 2 14.211 3.520 5.550
10 HA ARG 2 HA ARG 2 11.383 3.010 5.274
11 HB2 ARG 2 HB2 ARG 2 12.222 5.162 6.162
12 HB3 ARG 2 HB1 ARG 2 12.974 5.494 4.609
13 HG2 ARG 2 HG2 ARG 2 10.722 5.404 3.564
14 HG3 ARG 2 HG1 ARG 2 10.026 5.238 5.178
15 HD2 ARG 2 HD2 ARG 2 11.007 7.392 5.815
16 HD3 ARG 2 HD1 ARG 2 11.715 7.545 4.208
17 HE ARG 2 HE ARG 2 8.900 7.166 4.065
18 HH11 ARG 2 HH11 ARG 2 11.363 9.562 4.723
19 HH12 ARG 2 HH12 ARG 2 10.375 10.901 4.242
20 HH21 ARG 2 HH21 ARG 2 7.601 8.928 3.397
21 HH22 ARG 2 HH22 ARG 2 8.233 10.540 3.485
22 H SER 3 HN SER 3 12.079 1.267 3.650
23 HA SER 3 HA SER 3 11.494 2.416 1.029
24 HB2 SER 3 HB2 SER 3 13.668 0.341 1.452
25 HB3 SER 3 HB1 SER 3 13.124 0.970 -0.101
26 HG SER 3 HG SER 3 13.750 3.098 0.784
27 H GLY 4 HN GLY 4 10.270 0.804 3.307
28 HA2 GLY 4 HA2 GLY 4 9.601 -1.669 1.863
29 HA3 GLY 4 HA1 GLY 4 9.381 -1.406 3.585
30 H ASP 5 HN ASP 5 8.428 1.106 1.410
31 HA ASP 5 HA ASP 5 5.669 0.728 2.175
32 HB2 ASP 5 HB2 ASP 5 5.268 2.804 0.853
33 HB3 ASP 5 HB1 ASP 5 6.468 3.002 2.120
34 H THR 6 HN THR 6 5.804 -1.413 1.145
35 HA THR 6 HA THR 6 4.831 -1.244 -1.620
36 HB THR 6 HB THR 6 5.687 -3.689 -1.741
37 HG1 THR 6 HG1 THR 6 6.429 -4.114 0.272
38 HG21 THR 6 HG21 THR 6 7.891 -2.931 -2.521
39 HG22 THR 6 HG22 THR 6 7.612 -1.367 -1.754
40 HG23 THR 6 HG23 THR 6 6.591 -1.887 -3.096
41 H CYS 7 HN CYS 7 2.966 -2.348 -2.033
42 HA CYS 7 HA CYS 7 1.675 -3.465 0.362
43 HB2 CYS 7 HB2 CYS 7 0.967 -1.220 -0.948
44 HB3 CYS 7 HB1 CYS 7 0.037 -2.402 -1.861
45 H PHE 8 HN PHE 8 2.030 -5.615 0.028
46 HA PHE 8 HA PHE 8 1.622 -6.853 -2.525
47 HB2 PHE 8 HB2 PHE 8 1.979 -8.975 -1.163
48 HB3 PHE 8 HB1 PHE 8 3.309 -7.826 -1.196
49 HD1 PHE 8 HD2 PHE 8 0.423 -8.948 0.864
50 HD2 PHE 8 HD1 PHE 8 4.205 -6.991 0.791
51 HE1 PHE 8 HE2 PHE 8 0.450 -8.908 3.321
52 HE2 PHE 8 HE1 PHE 8 4.232 -6.946 3.247
53 HZ PHE 8 HZ PHE 8 2.353 -7.904 4.516
54 H ARG 9 HN ARG 9 -0.514 -5.691 -0.361
55 HA ARG 9 HA ARG 9 -2.390 -7.897 -0.430
56 HB2 ARG 9 HB2 ARG 9 -2.481 -5.145 0.789
57 HB3 ARG 9 HB1 ARG 9 -3.896 -6.185 0.734
58 HG2 ARG 9 HG2 ARG 9 -1.285 -7.008 1.982
59 HG3 ARG 9 HG1 ARG 9 -2.605 -6.254 2.878
60 HD2 ARG 9 HD2 ARG 9 -2.796 -8.823 1.313
61 HD3 ARG 9 HD1 ARG 9 -2.603 -8.713 3.061
62 HE ARG 9 HE ARG 9 -4.816 -7.304 2.773
63 HH11 ARG 9 HH11 ARG 9 -3.902 -10.287 1.174
64 HH12 ARG 9 HH12 ARG 9 -5.535 -10.859 1.029
65 HH21 ARG 9 HH21 ARG 9 -6.969 -8.052 2.581
66 HH22 ARG 9 HH22 ARG 9 -7.282 -9.581 1.821
67 H CYS 10 HN CYS 10 -2.111 -4.644 -1.821
68 HA CYS 10 HA CYS 10 -4.407 -5.276 -3.533
69 HB2 CYS 10 HB2 CYS 10 -4.509 -2.855 -4.004
70 HB3 CYS 10 HB1 CYS 10 -4.640 -3.195 -2.282
71 H GLY 11 HN GLY 11 -1.010 -4.854 -3.516
72 HA2 GLY 11 HA2 GLY 11 0.337 -5.593 -5.331
73 HA3 GLY 11 HA1 GLY 11 -0.967 -5.173 -6.432
74 H GLY 12 HN GLY 12 -0.976 -2.630 -4.478
75 HA2 GLY 12 HA2 GLY 12 0.504 -1.034 -6.389
76 HA3 GLY 12 HA1 GLY 12 -0.501 -0.435 -5.077
77 H MET 13 HN MET 13 1.637 0.950 -5.280
78 HA MET 13 HA MET 13 3.293 0.044 -3.044
79 HB2 MET 13 HB2 MET 13 5.330 0.692 -4.072
80 HB3 MET 13 HB1 MET 13 4.484 -0.293 -5.252
81 HG2 MET 13 HG2 MET 13 3.820 1.674 -6.481
82 HG3 MET 13 HG1 MET 13 4.544 2.716 -5.257
83 HE1 MET 13 HE1 MET 13 6.937 3.226 -8.301
84 HE2 MET 13 HE2 MET 13 5.937 4.018 -7.082
85 HE3 MET 13 HE3 MET 13 5.184 3.028 -8.333
86 H GLY 14 HN GLY 14 4.108 1.730 -1.744
87 HA2 GLY 14 HA2 GLY 14 4.378 4.176 -1.488
88 HA3 GLY 14 HA1 GLY 14 2.798 4.327 -2.241
89 H HIS 15 HN HIS 15 1.770 1.977 -0.752
90 HA HIS 15 HA HIS 15 1.702 3.141 1.931
91 HB2 HIS 15 HB2 HIS 15 -0.664 2.795 2.147
92 HB3 HIS 15 HB1 HIS 15 -0.352 3.797 0.740
93 HD1 HIS 15 HD1 HIS 15 -0.309 2.080 -1.623
94 HD2 HIS 15 HD2 HIS 15 -2.595 1.105 1.711
95 HE1 HIS 15 HE1 HIS 15 -2.191 0.589 -2.453
96 H TRP 16 HN TRP 16 0.692 1.615 3.529
97 HA TRP 16 HA TRP 16 2.262 -0.799 3.354
98 HB2 TRP 16 HB2 TRP 16 0.765 0.560 5.573
99 HB3 TRP 16 HB1 TRP 16 1.375 -1.075 5.767
100 HD1 TRP 16 HD1 TRP 16 2.500 2.534 5.810
101 HE1 TRP 16 HE1 TRP 16 5.009 2.644 6.339
102 HE3 TRP 16 HE3 TRP 16 3.655 -2.447 5.396
103 HZ2 TRP 16 HZ2 TRP 16 7.190 0.866 6.568
104 HZ3 TRP 16 HZ3 TRP 16 5.977 -3.146 5.790
105 HH2 TRP 16 HH2 TRP 16 7.707 -1.524 6.362
106 H ALA 17 HN ALA 17 1.480 -2.867 3.865
107 HA ALA 17 HA ALA 17 -0.368 -3.793 2.124
108 HB1 ALA 17 HB1 ALA 17 0.368 -5.059 4.749
109 HB2 ALA 17 HB2 ALA 17 1.286 -5.169 3.247
110 HB3 ALA 17 HB3 ALA 17 -0.323 -5.886 3.355
111 H SER 18 HN SER 18 -1.045 -3.248 5.600
112 HA SER 18 HA SER 18 -3.810 -4.048 5.149
113 HB2 SER 18 HB2 SER 18 -2.538 -3.167 7.745
114 HB3 SER 18 HB1 SER 18 -4.021 -4.096 7.535
115 HG SER 18 HG SER 18 -2.302 -5.528 6.305
116 H GLN 19 HN GLN 19 -2.569 -1.357 4.232
117 HA GLN 19 HA GLN 19 -4.542 0.365 5.592
118 HB2 GLN 19 HB2 GLN 19 -1.807 1.151 4.586
119 HB3 GLN 19 HB1 GLN 19 -2.988 2.248 5.286
120 HG2 GLN 19 HG2 GLN 19 -1.680 -0.067 6.688
121 HG3 GLN 19 HG1 GLN 19 -1.287 1.636 6.910
122 HE21 GLN 19 HE21 GLN 19 -2.253 -0.385 8.805
123 HE22 GLN 19 HE22 GLN 19 -3.696 0.261 9.490
124 H CYS 20 HN CYS 20 -4.690 -1.174 3.030
125 HA CYS 20 HA CYS 20 -4.589 0.523 0.819
126 HB2 CYS 20 HB2 CYS 20 -6.502 -1.747 1.399
127 HB3 CYS 20 HB1 CYS 20 -6.230 -1.042 -0.187
128 HA PRO 21 HA PRO 21 -7.786 3.358 2.132
129 HB2 PRO 21 HB2 PRO 21 -7.771 4.953 -0.059
130 HB3 PRO 21 HB1 PRO 21 -6.514 5.018 1.180
131 HG2 PRO 21 HG2 PRO 21 -6.481 3.667 -1.486
132 HG3 PRO 21 HG1 PRO 21 -5.205 4.605 -0.690
133 HD2 PRO 21 HD2 PRO 21 -5.245 1.889 -0.727
134 HD3 PRO 21 HD1 PRO 21 -4.530 2.827 0.599
135 H GLY 22 HN GLY 22 -9.948 3.547 1.857
136 HA2 GLY 22 HA2 GLY 22 -11.211 1.651 0.086
137 HA3 GLY 22 HA1 GLY 22 -12.019 2.684 1.256
138 H SER 23 HN SER 23 -10.200 4.799 -0.305
139 HA SER 23 HA SER 23 -12.249 5.944 -1.815
140 HB2 SER 23 HB2 SER 23 -10.248 7.238 -2.850
141 HB3 SER 23 HB1 SER 23 -10.559 7.411 -1.121
142 HG SER 23 HG SER 23 -8.683 6.562 -0.741
143 H VAL 24 HN VAL 24 -9.563 3.848 -2.754
144 HA VAL 24 HA VAL 24 -10.440 3.851 -5.518
145 HB VAL 24 HB VAL 24 -8.505 2.393 -5.939
146 HG11 VAL 24 HG11 VAL 24 -6.747 4.017 -5.388
147 HG12 VAL 24 HG12 VAL 24 -7.863 4.837 -4.296
148 HG13 VAL 24 HG13 VAL 24 -8.195 4.796 -6.027
149 HG21 VAL 24 HG21 VAL 24 -6.908 1.897 -4.155
150 HG22 VAL 24 HG22 VAL 24 -8.481 1.172 -3.829
151 HG23 VAL 24 HG23 VAL 24 -7.992 2.636 -2.977
152 HA PRO 25 HA PRO 25 -12.776 0.114 -5.206
153 HB2 PRO 25 HB2 PRO 25 -11.904 -0.849 -7.799
154 HB3 PRO 25 HB1 PRO 25 -13.454 -0.139 -7.350
155 HG2 PRO 25 HG2 PRO 25 -11.660 1.101 -8.981
156 HG3 PRO 25 HG1 PRO 25 -12.801 1.977 -7.943
157 HD2 PRO 25 HD2 PRO 25 -9.894 1.383 -7.495
158 HD3 PRO 25 HD1 PRO 25 -10.798 2.884 -7.188
Start of MODEL 12
1 H1 ASN 1 HT1 ASN 1 15.242 6.726 -1.383
2 H2 ASN 1 HT2 ASN 1 14.288 6.765 -2.774
3 H3 ASN 1 HT3 ASN 1 15.962 6.569 -2.906
4 HA ASN 1 HA ASN 1 14.827 4.492 -3.276
5 HB2 ASN 1 HB2 ASN 1 16.412 4.664 -0.706
6 HB3 ASN 1 HB1 ASN 1 16.001 3.151 -1.504
7 HD21 ASN 1 HD21 ASN 1 18.184 2.667 -1.803
8 HD22 ASN 1 HD22 ASN 1 19.129 3.456 -3.010
9 H ARG 2 HN ARG 2 14.475 5.365 0.178
10 HA ARG 2 HA ARG 2 12.183 3.627 0.409
11 HB2 ARG 2 HB2 ARG 2 13.791 3.871 2.275
12 HB3 ARG 2 HB1 ARG 2 13.338 5.565 2.424
13 HG2 ARG 2 HG2 ARG 2 11.038 4.892 2.948
14 HG3 ARG 2 HG1 ARG 2 11.519 3.199 2.841
15 HD2 ARG 2 HD2 ARG 2 11.509 3.782 5.152
16 HD3 ARG 2 HD1 ARG 2 13.196 3.663 4.656
17 HE ARG 2 HE ARG 2 12.616 6.303 4.347
18 HH11 ARG 2 HH11 ARG 2 12.342 4.035 6.993
19 HH12 ARG 2 HH12 ARG 2 12.535 5.240 8.223
20 HH21 ARG 2 HH21 ARG 2 12.913 7.901 5.962
21 HH22 ARG 2 HH22 ARG 2 12.869 7.446 7.634
22 H SER 3 HN SER 3 10.392 4.343 -0.589
23 HA SER 3 HA SER 3 9.351 6.953 0.262
24 HB2 SER 3 HB2 SER 3 10.234 7.120 -2.077
25 HB3 SER 3 HB1 SER 3 9.108 5.851 -2.557
26 HG SER 3 HG SER 3 7.401 7.239 -1.873
27 H GLY 4 HN GLY 4 8.790 4.666 1.555
28 HA2 GLY 4 HA2 GLY 4 6.639 3.933 2.356
29 HA3 GLY 4 HA1 GLY 4 6.036 4.044 0.702
30 H ASP 5 HN ASP 5 5.330 1.764 1.465
31 HA ASP 5 HA ASP 5 7.500 -0.151 0.884
32 HB2 ASP 5 HB2 ASP 5 6.641 -0.239 3.232
33 HB3 ASP 5 HB1 ASP 5 5.042 -0.610 2.600
34 H THR 6 HN THR 6 6.852 -2.067 -0.321
35 HA THR 6 HA THR 6 4.857 -1.434 -2.305
36 HB THR 6 HB THR 6 5.571 -3.855 -3.076
37 HG1 THR 6 HG1 THR 6 7.723 -4.301 -2.433
38 HG21 THR 6 HG21 THR 6 7.364 -2.859 -4.388
39 HG22 THR 6 HG22 THR 6 7.398 -1.467 -3.308
40 HG23 THR 6 HG23 THR 6 5.977 -1.776 -4.303
41 H CYS 7 HN CYS 7 2.833 -1.989 -2.181
42 HA CYS 7 HA CYS 7 1.963 -3.367 0.201
43 HB2 CYS 7 HB2 CYS 7 1.065 -1.175 -1.004
44 HB3 CYS 7 HB1 CYS 7 0.084 -2.345 -1.875
45 H PHE 8 HN PHE 8 2.215 -5.534 -0.030
46 HA PHE 8 HA PHE 8 1.718 -6.920 -2.468
47 HB2 PHE 8 HB2 PHE 8 2.062 -8.965 -1.022
48 HB3 PHE 8 HB1 PHE 8 3.392 -7.818 -1.051
49 HD1 PHE 8 HD2 PHE 8 0.482 -8.931 0.967
50 HD2 PHE 8 HD1 PHE 8 4.214 -6.879 0.932
51 HE1 PHE 8 HE2 PHE 8 0.447 -8.831 3.424
52 HE2 PHE 8 HE1 PHE 8 4.179 -6.773 3.387
53 HZ PHE 8 HZ PHE 8 2.296 -7.750 4.636
54 H ARG 9 HN ARG 9 -0.420 -5.655 -0.326
55 HA ARG 9 HA ARG 9 -2.302 -7.861 -0.333
56 HB2 ARG 9 HB2 ARG 9 -2.313 -5.118 0.885
57 HB3 ARG 9 HB1 ARG 9 -3.784 -6.071 0.796
58 HG2 ARG 9 HG2 ARG 9 -1.254 -7.075 2.065
59 HG3 ARG 9 HG1 ARG 9 -2.518 -6.222 2.954
60 HD2 ARG 9 HD2 ARG 9 -2.858 -8.790 1.411
61 HD3 ARG 9 HD1 ARG 9 -2.745 -8.647 3.163
62 HE ARG 9 HE ARG 9 -4.875 -7.113 1.930
63 HH11 ARG 9 HH11 ARG 9 -3.951 -10.122 3.465
64 HH12 ARG 9 HH12 ARG 9 -5.579 -10.546 3.899
65 HH21 ARG 9 HH21 ARG 9 -7.007 -7.666 2.493
66 HH22 ARG 9 HH22 ARG 9 -7.318 -9.145 3.348
67 H CYS 10 HN CYS 10 -1.948 -4.698 -1.860
68 HA CYS 10 HA CYS 10 -4.355 -5.297 -3.443
69 HB2 CYS 10 HB2 CYS 10 -4.547 -2.868 -3.803
70 HB3 CYS 10 HB1 CYS 10 -4.584 -3.279 -2.092
71 H GLY 11 HN GLY 11 -0.974 -4.902 -3.558
72 HA2 GLY 11 HA2 GLY 11 0.319 -5.496 -5.435
73 HA3 GLY 11 HA1 GLY 11 -1.054 -5.140 -6.471
74 H GLY 12 HN GLY 12 -0.996 -2.601 -4.459
75 HA2 GLY 12 HA2 GLY 12 0.350 -0.929 -6.414
76 HA3 GLY 12 HA1 GLY 12 -0.574 -0.377 -5.022
77 H MET 13 HN MET 13 1.640 0.979 -5.364
78 HA MET 13 HA MET 13 3.354 -0.064 -3.227
79 HB2 MET 13 HB2 MET 13 5.364 0.630 -4.326
80 HB3 MET 13 HB1 MET 13 4.467 -0.392 -5.435
81 HG2 MET 13 HG2 MET 13 3.695 1.593 -6.638
82 HG3 MET 13 HG1 MET 13 4.594 2.617 -5.521
83 HE1 MET 13 HE1 MET 13 7.259 2.588 -5.325
84 HE2 MET 13 HE2 MET 13 8.301 1.574 -6.321
85 HE3 MET 13 HE3 MET 13 7.256 0.839 -5.108
86 H GLY 14 HN GLY 14 3.950 1.386 -1.716
87 HA2 GLY 14 HA2 GLY 14 4.518 3.853 -1.431
88 HA3 GLY 14 HA1 GLY 14 2.906 4.117 -2.077
89 H HIS 15 HN HIS 15 1.448 2.171 -0.777
90 HA HIS 15 HA HIS 15 1.586 3.231 1.951
91 HB2 HIS 15 HB2 HIS 15 -0.781 2.905 2.169
92 HB3 HIS 15 HB1 HIS 15 -0.469 3.812 0.699
93 HD1 HIS 15 HD1 HIS 15 -0.532 2.096 -1.579
94 HD2 HIS 15 HD2 HIS 15 -2.580 1.011 1.872
95 HE1 HIS 15 HE1 HIS 15 -2.345 0.473 -2.301
96 H TRP 16 HN TRP 16 0.585 1.797 3.625
97 HA TRP 16 HA TRP 16 2.085 -0.658 3.604
98 HB2 TRP 16 HB2 TRP 16 0.337 0.598 5.725
99 HB3 TRP 16 HB1 TRP 16 1.319 -0.841 5.962
100 HD1 TRP 16 HD1 TRP 16 1.545 2.939 5.817
101 HE1 TRP 16 HE1 TRP 16 3.920 3.682 6.444
102 HE3 TRP 16 HE3 TRP 16 3.854 -1.639 5.818
103 HZ2 TRP 16 HZ2 TRP 16 6.449 2.483 6.884
104 HZ3 TRP 16 HZ3 TRP 16 6.251 -1.744 6.350
105 HH2 TRP 16 HH2 TRP 16 7.519 0.274 6.871
106 H ALA 17 HN ALA 17 1.302 -2.683 3.908
107 HA ALA 17 HA ALA 17 -0.718 -3.484 2.250
108 HB1 ALA 17 HB1 ALA 17 0.440 -4.984 4.584
109 HB2 ALA 17 HB2 ALA 17 1.121 -4.895 2.960
110 HB3 ALA 17 HB3 ALA 17 -0.427 -5.696 3.225
111 H SER 18 HN SER 18 -1.050 -2.612 5.631
112 HA SER 18 HA SER 18 -3.739 -3.765 5.672
113 HB2 SER 18 HB2 SER 18 -3.600 -3.139 8.142
114 HB3 SER 18 HB1 SER 18 -2.492 -4.393 7.587
115 HG SER 18 HG SER 18 -1.973 -1.827 8.490
116 H GLN 19 HN GLN 19 -2.651 -1.089 4.435
117 HA GLN 19 HA GLN 19 -4.788 0.591 5.567
118 HB2 GLN 19 HB2 GLN 19 -2.090 1.520 4.578
119 HB3 GLN 19 HB1 GLN 19 -3.387 2.565 5.132
120 HG2 GLN 19 HG2 GLN 19 -3.238 1.491 7.358
121 HG3 GLN 19 HG1 GLN 19 -1.848 0.575 6.776
122 HE21 GLN 19 HE21 GLN 19 -0.465 1.499 8.284
123 HE22 GLN 19 HE22 GLN 19 0.071 3.138 8.171
124 H CYS 20 HN CYS 20 -4.799 -1.205 3.226
125 HA CYS 20 HA CYS 20 -4.587 0.235 0.831
126 HB2 CYS 20 HB2 CYS 20 -6.346 -2.114 1.568
127 HB3 CYS 20 HB1 CYS 20 -6.146 -1.516 -0.073
128 HA PRO 21 HA PRO 21 -7.979 3.034 1.077
129 HB2 PRO 21 HB2 PRO 21 -8.496 3.375 -1.583
130 HB3 PRO 21 HB1 PRO 21 -7.133 4.128 -0.748
131 HG2 PRO 21 HG2 PRO 21 -7.192 1.668 -2.446
132 HG3 PRO 21 HG1 PRO 21 -5.989 2.970 -2.402
133 HD2 PRO 21 HD2 PRO 21 -5.589 0.596 -1.180
134 HD3 PRO 21 HD1 PRO 21 -4.950 2.118 -0.526
135 H GLY 22 HN GLY 22 -10.121 2.853 1.345
136 HA2 GLY 22 HA2 GLY 22 -11.424 0.371 0.661
137 HA3 GLY 22 HA1 GLY 22 -12.141 1.724 1.525
138 H SER 23 HN SER 23 -10.902 3.212 -1.000
139 HA SER 23 HA SER 23 -13.350 3.486 -2.378
140 HB2 SER 23 HB2 SER 23 -11.757 4.711 -4.047
141 HB3 SER 23 HB1 SER 23 -12.014 5.392 -2.439
142 HG SER 23 HG SER 23 -9.784 4.003 -3.460
143 H VAL 24 HN VAL 24 -14.137 1.752 -3.405
144 HA VAL 24 HA VAL 24 -12.403 0.014 -4.952
145 HB VAL 24 HB VAL 24 -14.442 -1.314 -5.357
146 HG11 VAL 24 HG11 VAL 24 -13.986 -0.566 -2.475
147 HG12 VAL 24 HG12 VAL 24 -13.114 -1.792 -3.392
148 HG13 VAL 24 HG13 VAL 24 -14.825 -2.013 -3.029
149 HG21 VAL 24 HG21 VAL 24 -16.539 -0.739 -4.245
150 HG22 VAL 24 HG22 VAL 24 -16.071 0.510 -5.399
151 HG23 VAL 24 HG23 VAL 24 -15.828 0.769 -3.671
152 HA PRO 25 HA PRO 25 -13.246 1.858 -8.912
153 HB2 PRO 25 HB2 PRO 25 -13.362 -0.377 -10.488
154 HB3 PRO 25 HB1 PRO 25 -11.853 0.341 -9.916
155 HG2 PRO 25 HG2 PRO 25 -13.367 -2.001 -8.837
156 HG3 PRO 25 HG1 PRO 25 -11.618 -1.798 -9.052
157 HD2 PRO 25 HD2 PRO 25 -12.806 -1.521 -6.648
158 HD3 PRO 25 HD1 PRO 25 -11.398 -0.549 -7.120
Start of MODEL 13
1 H1 ASN 1 HT1 ASN 1 12.322 7.577 -3.477
2 H2 ASN 1 HT2 ASN 1 12.904 8.975 -4.222
3 H3 ASN 1 HT3 ASN 1 13.462 8.548 -2.685
4 HA ASN 1 HA ASN 1 13.931 7.068 -5.204
5 HB2 ASN 1 HB2 ASN 1 16.279 7.678 -4.893
6 HB3 ASN 1 HB1 ASN 1 15.275 9.120 -4.992
7 HD21 ASN 1 HD21 ASN 1 17.935 8.645 -3.782
8 HD22 ASN 1 HD22 ASN 1 17.786 9.185 -2.148
9 H ARG 2 HN ARG 2 13.927 7.042 -1.732
10 HA ARG 2 HA ARG 2 14.915 4.269 -1.795
11 HB2 ARG 2 HB2 ARG 2 15.461 6.365 0.321
12 HB3 ARG 2 HB1 ARG 2 15.886 4.666 0.461
13 HG2 ARG 2 HG2 ARG 2 17.389 4.870 -1.443
14 HG3 ARG 2 HG1 ARG 2 16.948 6.571 -1.612
15 HD2 ARG 2 HD2 ARG 2 19.062 6.359 -0.432
16 HD3 ARG 2 HD1 ARG 2 17.821 7.012 0.636
17 HE ARG 2 HE ARG 2 18.141 4.149 0.794
18 HH11 ARG 2 HH11 ARG 2 19.179 7.244 2.055
19 HH12 ARG 2 HH12 ARG 2 19.763 6.579 3.547
20 HH21 ARG 2 HH21 ARG 2 18.896 3.274 2.756
21 HH22 ARG 2 HH22 ARG 2 19.605 4.319 3.948
22 H SER 3 HN SER 3 12.339 4.482 -2.102
23 HA SER 3 HA SER 3 11.197 4.051 0.578
24 HB2 SER 3 HB2 SER 3 9.815 5.299 -1.811
25 HB3 SER 3 HB1 SER 3 9.025 4.874 -0.295
26 HG SER 3 HG SER 3 10.810 6.942 -0.862
27 H GLY 4 HN GLY 4 11.230 1.845 0.670
28 HA2 GLY 4 HA2 GLY 4 10.144 0.333 -1.600
29 HA3 GLY 4 HA1 GLY 4 11.011 -0.346 -0.228
30 H ASP 5 HN ASP 5 8.296 1.909 -0.220
31 HA ASP 5 HA ASP 5 6.856 0.260 1.654
32 HB2 ASP 5 HB2 ASP 5 5.998 2.789 0.215
33 HB3 ASP 5 HB1 ASP 5 5.094 1.998 1.499
34 H THR 6 HN THR 6 6.350 -1.652 0.621
35 HA THR 6 HA THR 6 4.743 -1.455 -1.828
36 HB THR 6 HB THR 6 5.321 -3.993 -1.910
37 HG1 THR 6 HG1 THR 6 7.673 -3.230 -0.582
38 HG21 THR 6 HG21 THR 6 7.407 -3.501 -3.115
39 HG22 THR 6 HG22 THR 6 7.414 -1.876 -2.427
40 HG23 THR 6 HG23 THR 6 6.128 -2.362 -3.532
41 H CYS 7 HN CYS 7 2.769 -2.397 -1.960
42 HA CYS 7 HA CYS 7 1.660 -3.420 0.564
43 HB2 CYS 7 HB2 CYS 7 0.759 -1.274 -0.554
44 HB3 CYS 7 HB1 CYS 7 0.057 -2.358 -1.747
45 H PHE 8 HN PHE 8 1.972 -5.585 0.378
46 HA PHE 8 HA PHE 8 1.665 -7.005 -2.057
47 HB2 PHE 8 HB2 PHE 8 1.768 -9.018 -0.445
48 HB3 PHE 8 HB1 PHE 8 3.178 -7.980 -0.593
49 HD1 PHE 8 HD2 PHE 8 0.148 -8.515 1.500
50 HD2 PHE 8 HD1 PHE 8 4.150 -7.063 1.312
51 HE1 PHE 8 HE2 PHE 8 0.126 -8.157 3.927
52 HE2 PHE 8 HE1 PHE 8 4.124 -6.698 3.745
53 HZ PHE 8 HZ PHE 8 2.159 -7.257 5.056
54 H ARG 9 HN ARG 9 -0.701 -5.623 -0.304
55 HA ARG 9 HA ARG 9 -2.586 -7.829 -0.515
56 HB2 ARG 9 HB2 ARG 9 -2.815 -5.040 0.589
57 HB3 ARG 9 HB1 ARG 9 -4.231 -6.044 0.321
58 HG2 ARG 9 HG2 ARG 9 -3.219 -7.764 1.800
59 HG3 ARG 9 HG1 ARG 9 -1.916 -6.626 2.152
60 HD2 ARG 9 HD2 ARG 9 -3.587 -6.538 3.903
61 HD3 ARG 9 HD1 ARG 9 -3.574 -5.021 3.005
62 HE ARG 9 HE ARG 9 -5.516 -6.931 2.053
63 HH11 ARG 9 HH11 ARG 9 -4.920 -4.325 4.335
64 HH12 ARG 9 HH12 ARG 9 -6.603 -3.941 4.521
65 HH21 ARG 9 HH21 ARG 9 -7.721 -6.434 2.323
66 HH22 ARG 9 HH22 ARG 9 -8.190 -5.139 3.376
67 H CYS 10 HN CYS 10 -2.010 -4.661 -2.005
68 HA CYS 10 HA CYS 10 -4.125 -5.305 -3.952
69 HB2 CYS 10 HB2 CYS 10 -4.378 -2.898 -4.320
70 HB3 CYS 10 HB1 CYS 10 -4.618 -3.302 -2.624
71 H GLY 11 HN GLY 11 -0.808 -4.969 -3.548
72 HA2 GLY 11 HA2 GLY 11 0.853 -5.251 -5.144
73 HA3 GLY 11 HA1 GLY 11 -0.359 -5.078 -6.404
74 H GLY 12 HN GLY 12 -0.947 -2.561 -4.439
75 HA2 GLY 12 HA2 GLY 12 0.291 -0.740 -6.309
76 HA3 GLY 12 HA1 GLY 12 -0.813 -0.313 -5.010
77 H MET 13 HN MET 13 1.894 0.714 -5.885
78 HA MET 13 HA MET 13 3.464 0.131 -3.485
79 HB2 MET 13 HB2 MET 13 4.205 1.569 -6.040
80 HB3 MET 13 HB1 MET 13 5.290 1.332 -4.678
81 HG2 MET 13 HG2 MET 13 5.110 -1.090 -4.961
82 HG3 MET 13 HG1 MET 13 4.034 -0.848 -6.333
83 HE1 MET 13 HE1 MET 13 5.546 -2.345 -7.891
84 HE2 MET 13 HE2 MET 13 6.617 -2.654 -6.525
85 HE3 MET 13 HE3 MET 13 7.287 -2.128 -8.070
86 H GLY 14 HN GLY 14 3.953 1.664 -1.981
87 HA2 GLY 14 HA2 GLY 14 4.188 4.159 -1.659
88 HA3 GLY 14 HA1 GLY 14 2.570 4.249 -2.337
89 H HIS 15 HN HIS 15 1.742 1.766 -0.915
90 HA HIS 15 HA HIS 15 1.773 2.756 1.834
91 HB2 HIS 15 HB2 HIS 15 -0.580 2.504 2.129
92 HB3 HIS 15 HB1 HIS 15 -0.316 3.534 0.736
93 HD1 HIS 15 HD1 HIS 15 -0.522 1.997 -1.683
94 HD2 HIS 15 HD2 HIS 15 -2.507 0.764 1.758
95 HE1 HIS 15 HE1 HIS 15 -2.477 0.558 -2.449
96 H TRP 16 HN TRP 16 0.733 1.106 3.334
97 HA TRP 16 HA TRP 16 1.812 -1.525 2.604
98 HB2 TRP 16 HB2 TRP 16 1.790 -0.020 5.202
99 HB3 TRP 16 HB1 TRP 16 1.973 -1.766 5.182
100 HD1 TRP 16 HD1 TRP 16 3.842 1.451 4.350
101 HE1 TRP 16 HE1 TRP 16 6.305 0.900 3.888
102 HE3 TRP 16 HE3 TRP 16 3.533 -3.666 4.287
103 HZ2 TRP 16 HZ2 TRP 16 7.912 -1.406 3.543
104 HZ3 TRP 16 HZ3 TRP 16 5.583 -4.959 3.885
105 HH2 TRP 16 HH2 TRP 16 7.723 -3.851 3.520
106 H ALA 17 HN ALA 17 0.844 -3.328 3.875
107 HA ALA 17 HA ALA 17 -1.654 -3.854 3.015
108 HB1 ALA 17 HB1 ALA 17 -0.047 -5.482 3.923
109 HB2 ALA 17 HB2 ALA 17 -1.691 -5.725 4.513
110 HB3 ALA 17 HB3 ALA 17 -0.485 -4.966 5.552
111 H SER 18 HN SER 18 -0.918 -2.488 6.227
112 HA SER 18 HA SER 18 -3.608 -2.832 7.151
113 HB2 SER 18 HB2 SER 18 -1.436 -1.139 8.401
114 HB3 SER 18 HB1 SER 18 -2.847 -1.840 9.196
115 HG SER 18 HG SER 18 -1.974 -3.915 8.740
116 H GLN 19 HN GLN 19 -2.398 -0.629 5.005
117 HA GLN 19 HA GLN 19 -4.433 1.362 5.783
118 HB2 GLN 19 HB2 GLN 19 -1.807 1.929 4.398
119 HB3 GLN 19 HB1 GLN 19 -3.034 3.118 4.806
120 HG2 GLN 19 HG2 GLN 19 -2.678 2.603 7.197
121 HG3 GLN 19 HG1 GLN 19 -1.369 1.515 6.734
122 HE21 GLN 19 HE21 GLN 19 -0.583 3.318 4.519
123 HE22 GLN 19 HE22 GLN 19 0.266 4.619 5.261
124 H CYS 20 HN CYS 20 -4.594 -0.981 4.040
125 HA CYS 20 HA CYS 20 -4.451 -0.055 1.322
126 HB2 CYS 20 HB2 CYS 20 -4.118 -2.451 2.354
127 HB3 CYS 20 HB1 CYS 20 -5.864 -2.555 2.174
128 HA PRO 21 HA PRO 21 -8.507 1.735 1.316
129 HB2 PRO 21 HB2 PRO 21 -8.894 1.889 -1.370
130 HB3 PRO 21 HB1 PRO 21 -7.837 2.993 -0.483
131 HG2 PRO 21 HG2 PRO 21 -7.129 0.581 -2.103
132 HG3 PRO 21 HG1 PRO 21 -6.318 2.156 -2.025
133 HD2 PRO 21 HD2 PRO 21 -5.415 -0.031 -0.704
134 HD3 PRO 21 HD1 PRO 21 -5.190 1.620 -0.095
135 H GLY 22 HN GLY 22 -10.308 0.693 1.764
136 HA2 GLY 22 HA2 GLY 22 -12.062 -0.635 0.344
137 HA3 GLY 22 HA1 GLY 22 -10.838 -1.890 0.484
138 H SER 23 HN SER 23 -11.645 0.459 2.962
139 HA SER 23 HA SER 23 -12.994 -1.625 4.495
140 HB2 SER 23 HB2 SER 23 -10.572 -1.458 5.185
141 HB3 SER 23 HB1 SER 23 -10.892 0.202 5.683
142 HG SER 23 HG SER 23 -12.456 -1.937 6.656
143 H VAL 24 HN VAL 24 -14.516 0.039 3.251
144 HA VAL 24 HA VAL 24 -14.972 2.414 4.879
145 HB VAL 24 HB VAL 24 -16.632 3.034 3.128
146 HG11 VAL 24 HG11 VAL 24 -14.984 3.552 1.385
147 HG12 VAL 24 HG12 VAL 24 -13.855 2.416 2.125
148 HG13 VAL 24 HG13 VAL 24 -14.352 3.864 3.001
149 HG21 VAL 24 HG21 VAL 24 -16.673 1.791 1.021
150 HG22 VAL 24 HG22 VAL 24 -17.220 0.790 2.366
151 HG23 VAL 24 HG23 VAL 24 -15.597 0.581 1.713
152 HA PRO 25 HA PRO 25 -18.425 0.585 6.955
153 HB2 PRO 25 HB2 PRO 25 -19.804 3.139 7.113
154 HB3 PRO 25 HB1 PRO 25 -18.974 2.250 8.390
155 HG2 PRO 25 HG2 PRO 25 -18.048 4.598 7.387
156 HG3 PRO 25 HG1 PRO 25 -16.981 3.335 8.035
157 HD2 PRO 25 HD2 PRO 25 -17.668 3.962 5.178
158 HD3 PRO 25 HD1 PRO 25 -16.089 3.572 5.899
Start of MODEL 14
1 H1 ASN 1 HT1 ASN 1 11.472 9.794 -1.394
2 H2 ASN 1 HT2 ASN 1 11.120 11.345 -0.823
3 H3 ASN 1 HT3 ASN 1 10.730 9.992 0.110
4 HA ASN 1 HA ASN 1 13.476 10.798 -0.632
5 HB2 ASN 1 HB2 ASN 1 12.020 11.106 2.006
6 HB3 ASN 1 HB1 ASN 1 13.728 11.434 1.749
7 HD21 ASN 1 HD21 ASN 1 13.493 13.573 2.384
8 HD22 ASN 1 HD22 ASN 1 12.719 14.751 1.383
9 H ARG 2 HN ARG 2 11.686 9.028 1.906
10 HA ARG 2 HA ARG 2 13.172 6.614 1.248
11 HB2 ARG 2 HB2 ARG 2 14.508 7.869 2.976
12 HB3 ARG 2 HB1 ARG 2 13.150 7.679 4.074
13 HG2 ARG 2 HG2 ARG 2 13.389 5.286 4.043
14 HG3 ARG 2 HG1 ARG 2 14.647 5.393 2.808
15 HD2 ARG 2 HD2 ARG 2 16.030 6.697 4.409
16 HD3 ARG 2 HD1 ARG 2 14.790 6.440 5.634
17 HE ARG 2 HE ARG 2 15.259 4.019 5.395
18 HH11 ARG 2 HH11 ARG 2 17.676 6.324 4.348
19 HH12 ARG 2 HH12 ARG 2 19.004 5.243 4.613
20 HH21 ARG 2 HH21 ARG 2 17.008 2.593 5.737
21 HH22 ARG 2 HH22 ARG 2 18.625 3.117 5.396
22 H SER 3 HN SER 3 10.808 6.552 0.533
23 HA SER 3 HA SER 3 9.384 4.877 2.393
24 HB2 SER 3 HB2 SER 3 8.093 7.436 1.393
25 HB3 SER 3 HB1 SER 3 7.287 6.168 2.313
26 HG SER 3 HG SER 3 9.525 6.936 3.585
27 H GLY 4 HN GLY 4 7.065 4.457 1.181
28 HA2 GLY 4 HA2 GLY 4 6.042 4.024 -0.946
29 HA3 GLY 4 HA1 GLY 4 7.629 4.140 -1.686
30 H ASP 5 HN ASP 5 6.070 2.222 0.870
31 HA ASP 5 HA ASP 5 7.715 -0.063 0.245
32 HB2 ASP 5 HB2 ASP 5 7.036 0.461 2.573
33 HB3 ASP 5 HB1 ASP 5 5.357 0.164 2.135
34 H THR 6 HN THR 6 6.884 -2.131 -0.407
35 HA THR 6 HA THR 6 4.882 -1.835 -2.468
36 HB THR 6 HB THR 6 5.440 -4.344 -2.787
37 HG1 THR 6 HG1 THR 6 6.525 -4.806 -0.913
38 HG21 THR 6 HG21 THR 6 7.459 -3.783 -4.052
39 HG22 THR 6 HG22 THR 6 7.556 -2.236 -3.213
40 HG23 THR 6 HG23 THR 6 6.198 -2.572 -4.285
41 H CYS 7 HN CYS 7 2.823 -2.226 -2.179
42 HA CYS 7 HA CYS 7 1.937 -3.441 0.314
43 HB2 CYS 7 HB2 CYS 7 1.091 -1.235 -0.862
44 HB3 CYS 7 HB1 CYS 7 0.110 -2.355 -1.798
45 H PHE 8 HN PHE 8 2.098 -5.615 0.116
46 HA PHE 8 HA PHE 8 1.718 -6.968 -2.371
47 HB2 PHE 8 HB2 PHE 8 2.111 -9.022 -0.937
48 HB3 PHE 8 HB1 PHE 8 3.403 -7.829 -0.953
49 HD1 PHE 8 HD2 PHE 8 0.479 -8.997 1.015
50 HD2 PHE 8 HD1 PHE 8 4.199 -6.925 1.047
51 HE1 PHE 8 HE2 PHE 8 0.406 -8.904 3.471
52 HE2 PHE 8 HE1 PHE 8 4.125 -6.828 3.499
53 HZ PHE 8 HZ PHE 8 2.238 -7.820 4.716
54 H ARG 9 HN ARG 9 -0.581 -5.742 -0.472
55 HA ARG 9 HA ARG 9 -2.335 -8.072 -0.662
56 HB2 ARG 9 HB2 ARG 9 -2.566 -5.490 0.854
57 HB3 ARG 9 HB1 ARG 9 -3.946 -6.551 0.622
58 HG2 ARG 9 HG2 ARG 9 -2.579 -8.387 1.661
59 HG3 ARG 9 HG1 ARG 9 -1.391 -7.153 2.084
60 HD2 ARG 9 HD2 ARG 9 -2.901 -7.580 3.951
61 HD3 ARG 9 HD1 ARG 9 -3.101 -5.937 3.340
62 HE ARG 9 HE ARG 9 -4.946 -8.160 2.698
63 HH11 ARG 9 HH11 ARG 9 -4.339 -4.774 3.381
64 HH12 ARG 9 HH12 ARG 9 -6.017 -4.331 3.296
65 HH21 ARG 9 HH21 ARG 9 -7.150 -7.561 2.569
66 HH22 ARG 9 HH22 ARG 9 -7.610 -5.908 2.838
67 H CYS 10 HN CYS 10 -1.991 -4.786 -1.890
68 HA CYS 10 HA CYS 10 -4.362 -5.260 -3.560
69 HB2 CYS 10 HB2 CYS 10 -4.501 -2.825 -3.832
70 HB3 CYS 10 HB1 CYS 10 -4.544 -3.280 -2.133
71 H GLY 11 HN GLY 11 -0.954 -4.822 -3.590
72 HA2 GLY 11 HA2 GLY 11 0.347 -5.446 -5.474
73 HA3 GLY 11 HA1 GLY 11 -0.996 -4.997 -6.515
74 H GLY 12 HN GLY 12 -1.112 -2.523 -4.591
75 HA2 GLY 12 HA2 GLY 12 0.407 -0.841 -6.376
76 HA3 GLY 12 HA1 GLY 12 -0.609 -0.307 -5.044
77 H MET 13 HN MET 13 1.879 0.836 -5.526
78 HA MET 13 HA MET 13 3.258 -0.047 -3.086
79 HB2 MET 13 HB2 MET 13 5.392 0.471 -4.008
80 HB3 MET 13 HB1 MET 13 4.563 -0.542 -5.177
81 HG2 MET 13 HG2 MET 13 4.068 1.379 -6.555
82 HG3 MET 13 HG1 MET 13 4.780 2.456 -5.354
83 HE1 MET 13 HE1 MET 13 6.336 3.582 -7.137
84 HE2 MET 13 HE2 MET 13 5.621 2.572 -8.394
85 HE3 MET 13 HE3 MET 13 7.374 2.688 -8.247
86 H GLY 14 HN GLY 14 3.810 1.529 -1.650
87 HA2 GLY 14 HA2 GLY 14 4.268 4.066 -1.600
88 HA3 GLY 14 HA1 GLY 14 2.651 4.164 -2.273
89 H HIS 15 HN HIS 15 1.641 1.932 -0.675
90 HA HIS 15 HA HIS 15 1.681 3.207 1.963
91 HB2 HIS 15 HB2 HIS 15 -0.693 2.837 2.231
92 HB3 HIS 15 HB1 HIS 15 -0.394 3.807 0.799
93 HD1 HIS 15 HD1 HIS 15 -0.411 2.158 -1.541
94 HD2 HIS 15 HD2 HIS 15 -2.524 0.998 1.843
95 HE1 HIS 15 HE1 HIS 15 -2.231 0.573 -2.338
96 H TRP 16 HN TRP 16 0.854 1.805 3.698
97 HA TRP 16 HA TRP 16 2.277 -0.686 3.593
98 HB2 TRP 16 HB2 TRP 16 0.555 0.387 5.837
99 HB3 TRP 16 HB1 TRP 16 1.789 -0.859 5.957
100 HD1 TRP 16 HD1 TRP 16 1.306 2.802 6.343
101 HE1 TRP 16 HE1 TRP 16 3.553 3.985 6.693
102 HE3 TRP 16 HE3 TRP 16 4.467 -1.033 5.092
103 HZ2 TRP 16 HZ2 TRP 16 6.299 3.388 6.480
104 HZ3 TRP 16 HZ3 TRP 16 6.887 -0.634 5.198
105 HH2 TRP 16 HH2 TRP 16 7.785 1.529 5.878
106 H ALA 17 HN ALA 17 1.417 -2.718 4.032
107 HA ALA 17 HA ALA 17 -0.556 -3.430 2.264
108 HB1 ALA 17 HB1 ALA 17 -0.375 -5.664 3.171
109 HB2 ALA 17 HB2 ALA 17 0.416 -5.031 4.614
110 HB3 ALA 17 HB3 ALA 17 1.213 -4.907 3.045
111 H SER 18 HN SER 18 -0.977 -2.651 5.661
112 HA SER 18 HA SER 18 -3.714 -3.697 5.565
113 HB2 SER 18 HB2 SER 18 -2.194 -4.288 7.484
114 HB3 SER 18 HB1 SER 18 -2.231 -2.594 7.960
115 HG SER 18 HG SER 18 -4.310 -2.763 8.525
116 H GLN 19 HN GLN 19 -2.617 -1.093 4.338
117 HA GLN 19 HA GLN 19 -4.689 0.629 5.514
118 HB2 GLN 19 HB2 GLN 19 -1.960 1.563 4.614
119 HB3 GLN 19 HB1 GLN 19 -3.244 2.580 5.254
120 HG2 GLN 19 HG2 GLN 19 -3.122 1.200 7.358
121 HG3 GLN 19 HG1 GLN 19 -1.656 0.484 6.700
122 HE21 GLN 19 HE21 GLN 19 -0.882 3.047 5.430
123 HE22 GLN 19 HE22 GLN 19 -0.285 4.027 6.718
124 H CYS 20 HN CYS 20 -4.788 -1.075 3.163
125 HA CYS 20 HA CYS 20 -4.508 0.399 0.789
126 HB2 CYS 20 HB2 CYS 20 -6.407 -1.850 1.478
127 HB3 CYS 20 HB1 CYS 20 -6.132 -1.249 -0.151
128 HA PRO 21 HA PRO 21 -7.719 3.350 1.487
129 HB2 PRO 21 HB2 PRO 21 -7.721 4.555 -0.922
130 HB3 PRO 21 HB1 PRO 21 -6.408 4.771 0.240
131 HG2 PRO 21 HG2 PRO 21 -6.539 3.006 -2.171
132 HG3 PRO 21 HG1 PRO 21 -5.195 4.004 -1.583
133 HD2 PRO 21 HD2 PRO 21 -5.380 1.303 -1.169
134 HD3 PRO 21 HD1 PRO 21 -4.511 2.409 -0.088
135 H GLY 22 HN GLY 22 -9.879 3.664 1.101
136 HA2 GLY 22 HA2 GLY 22 -11.224 1.522 -0.328
137 HA3 GLY 22 HA1 GLY 22 -11.982 2.736 0.694
138 H SER 23 HN SER 23 -9.787 3.379 -1.965
139 HA SER 23 HA SER 23 -11.703 5.130 -3.203
140 HB2 SER 23 HB2 SER 23 -9.177 5.513 -3.107
141 HB3 SER 23 HB1 SER 23 -9.038 4.266 -4.344
142 HG SER 23 HG SER 23 -10.093 5.548 -5.776
143 H VAL 24 HN VAL 24 -10.598 1.885 -3.556
144 HA VAL 24 HA VAL 24 -12.445 1.525 -5.807
145 HB VAL 24 HB VAL 24 -10.975 -0.436 -6.480
146 HG11 VAL 24 HG11 VAL 24 -9.853 2.355 -6.695
147 HG12 VAL 24 HG12 VAL 24 -11.032 1.612 -7.775
148 HG13 VAL 24 HG13 VAL 24 -9.383 0.991 -7.707
149 HG21 VAL 24 HG21 VAL 24 -9.687 -0.605 -4.407
150 HG22 VAL 24 HG22 VAL 24 -8.985 0.985 -4.710
151 HG23 VAL 24 HG23 VAL 24 -8.630 -0.358 -5.797
152 HA PRO 25 HA PRO 25 -14.535 -1.124 -2.970
153 HB2 PRO 25 HB2 PRO 25 -16.053 -2.496 -4.776
154 HB3 PRO 25 HB1 PRO 25 -16.416 -0.852 -4.243
155 HG2 PRO 25 HG2 PRO 25 -15.035 -1.777 -6.735
156 HG3 PRO 25 HG1 PRO 25 -16.261 -0.509 -6.538
157 HD2 PRO 25 HD2 PRO 25 -13.643 0.070 -6.782
158 HD3 PRO 25 HD1 PRO 25 -14.726 1.032 -5.752
Start of MODEL 15
1 H1 ASN 1 HT1 ASN 1 14.099 2.664 -7.656
2 H2 ASN 1 HT2 ASN 1 12.987 1.549 -7.046
3 H3 ASN 1 HT3 ASN 1 14.447 1.011 -7.709
4 HA ASN 1 HA ASN 1 14.504 0.913 -5.308
5 HB2 ASN 1 HB2 ASN 1 16.266 3.040 -6.546
6 HB3 ASN 1 HB1 ASN 1 16.546 2.327 -4.963
7 HD21 ASN 1 HD21 ASN 1 15.747 -0.347 -5.744
8 HD22 ASN 1 HD22 ASN 1 17.005 -0.957 -6.753
9 H ARG 2 HN ARG 2 14.936 2.349 -3.351
10 HA ARG 2 HA ARG 2 14.022 3.709 -1.782
11 HB2 ARG 2 HB2 ARG 2 13.624 5.572 -4.130
12 HB3 ARG 2 HB1 ARG 2 13.510 6.031 -2.437
13 HG2 ARG 2 HG2 ARG 2 15.857 5.473 -2.116
14 HG3 ARG 2 HG1 ARG 2 15.979 4.982 -3.808
15 HD2 ARG 2 HD2 ARG 2 15.391 7.272 -4.493
16 HD3 ARG 2 HD1 ARG 2 15.305 7.741 -2.797
17 HE ARG 2 HE ARG 2 17.824 6.598 -3.674
18 HH11 ARG 2 HH11 ARG 2 15.960 9.483 -3.021
19 HH12 ARG 2 HH12 ARG 2 17.351 10.509 -2.884
20 HH21 ARG 2 HH21 ARG 2 19.661 7.941 -3.511
21 HH22 ARG 2 HH22 ARG 2 19.468 9.630 -3.173
22 H SER 3 HN SER 3 12.410 1.758 -2.607
23 HA SER 3 HA SER 3 9.757 2.908 -2.376
24 HB2 SER 3 HB2 SER 3 9.051 1.286 -4.289
25 HB3 SER 3 HB1 SER 3 9.794 2.827 -4.716
26 HG SER 3 HG SER 3 10.789 0.237 -4.946
27 H GLY 4 HN GLY 4 10.963 1.679 -0.354
28 HA2 GLY 4 HA2 GLY 4 10.634 -1.177 -0.384
29 HA3 GLY 4 HA1 GLY 4 11.066 -0.199 1.008
30 H ASP 5 HN ASP 5 8.482 1.390 0.162
31 HA ASP 5 HA ASP 5 6.771 -0.106 1.968
32 HB2 ASP 5 HB2 ASP 5 6.195 2.515 0.552
33 HB3 ASP 5 HB1 ASP 5 5.267 1.815 1.871
34 H THR 6 HN THR 6 6.640 -1.912 0.434
35 HA THR 6 HA THR 6 4.897 -1.426 -1.864
36 HB THR 6 HB THR 6 5.445 -3.891 -2.339
37 HG1 THR 6 HG1 THR 6 7.756 -4.126 -1.276
38 HG21 THR 6 HG21 THR 6 7.681 -1.866 -2.384
39 HG22 THR 6 HG22 THR 6 6.399 -2.011 -3.587
40 HG23 THR 6 HG23 THR 6 7.567 -3.315 -3.384
41 H CYS 7 HN CYS 7 2.895 -2.310 -2.056
42 HA CYS 7 HA CYS 7 1.786 -3.430 0.424
43 HB2 CYS 7 HB2 CYS 7 0.985 -1.206 -0.715
44 HB3 CYS 7 HB1 CYS 7 0.140 -2.298 -1.806
45 H PHE 8 HN PHE 8 2.011 -5.610 0.156
46 HA PHE 8 HA PHE 8 1.637 -6.880 -2.369
47 HB2 PHE 8 HB2 PHE 8 1.903 -8.993 -1.011
48 HB3 PHE 8 HB1 PHE 8 3.243 -7.860 -0.938
49 HD1 PHE 8 HD2 PHE 8 0.261 -9.053 0.923
50 HD2 PHE 8 HD1 PHE 8 3.996 -7.013 1.110
51 HE1 PHE 8 HE2 PHE 8 0.153 -9.081 3.378
52 HE2 PHE 8 HE1 PHE 8 3.888 -7.041 3.564
53 HZ PHE 8 HZ PHE 8 1.967 -8.076 4.704
54 H ARG 9 HN ARG 9 -0.584 -5.743 -0.180
55 HA ARG 9 HA ARG 9 -2.450 -7.942 -0.400
56 HB2 ARG 9 HB2 ARG 9 -2.560 -5.261 0.946
57 HB3 ARG 9 HB1 ARG 9 -4.004 -6.245 0.764
58 HG2 ARG 9 HG2 ARG 9 -1.481 -7.185 2.106
59 HG3 ARG 9 HG1 ARG 9 -2.868 -6.500 2.955
60 HD2 ARG 9 HD2 ARG 9 -2.919 -8.967 1.220
61 HD3 ARG 9 HD1 ARG 9 -2.873 -8.960 2.981
62 HE ARG 9 HE ARG 9 -5.054 -7.490 2.510
63 HH11 ARG 9 HH11 ARG 9 -4.027 -10.569 1.199
64 HH12 ARG 9 HH12 ARG 9 -5.643 -11.143 0.946
65 HH21 ARG 9 HH21 ARG 9 -7.176 -8.238 2.184
66 HH22 ARG 9 HH22 ARG 9 -7.441 -9.805 1.491
67 H CYS 10 HN CYS 10 -1.980 -4.789 -1.877
68 HA CYS 10 HA CYS 10 -4.293 -5.382 -3.595
69 HB2 CYS 10 HB2 CYS 10 -4.483 -2.974 -4.014
70 HB3 CYS 10 HB1 CYS 10 -4.596 -3.329 -2.294
71 H GLY 11 HN GLY 11 -0.912 -4.921 -3.475
72 HA2 GLY 11 HA2 GLY 11 0.562 -5.464 -5.222
73 HA3 GLY 11 HA1 GLY 11 -0.750 -5.250 -6.371
74 H GLY 12 HN GLY 12 -0.886 -2.684 -4.312
75 HA2 GLY 12 HA2 GLY 12 0.283 -0.932 -6.307
76 HA3 GLY 12 HA1 GLY 12 -0.649 -0.443 -4.899
77 H MET 13 HN MET 13 1.306 1.135 -5.157
78 HA MET 13 HA MET 13 3.343 0.210 -3.255
79 HB2 MET 13 HB2 MET 13 5.117 1.267 -4.478
80 HB3 MET 13 HB1 MET 13 4.264 0.203 -5.581
81 HG2 MET 13 HG2 MET 13 3.154 2.061 -6.613
82 HG3 MET 13 HG1 MET 13 3.817 3.173 -5.419
83 HE1 MET 13 HE1 MET 13 7.574 3.338 -6.337
84 HE2 MET 13 HE2 MET 13 6.832 2.312 -5.114
85 HE3 MET 13 HE3 MET 13 6.274 3.972 -5.326
86 H GLY 14 HN GLY 14 4.240 1.869 -1.940
87 HA2 GLY 14 HA2 GLY 14 4.441 4.226 -1.399
88 HA3 GLY 14 HA1 GLY 14 2.852 4.463 -2.113
89 H HIS 15 HN HIS 15 1.852 1.992 -0.815
90 HA HIS 15 HA HIS 15 1.819 2.878 1.970
91 HB2 HIS 15 HB2 HIS 15 -0.544 2.632 2.167
92 HB3 HIS 15 HB1 HIS 15 -0.239 3.678 0.792
93 HD1 HIS 15 HD1 HIS 15 -0.254 2.052 -1.629
94 HD2 HIS 15 HD2 HIS 15 -2.514 0.987 1.689
95 HE1 HIS 15 HE1 HIS 15 -2.148 0.587 -2.485
96 H TRP 16 HN TRP 16 0.761 1.143 3.368
97 HA TRP 16 HA TRP 16 2.059 -1.350 2.581
98 HB2 TRP 16 HB2 TRP 16 1.675 0.009 5.199
99 HB3 TRP 16 HB1 TRP 16 1.837 -1.742 5.174
100 HD1 TRP 16 HD1 TRP 16 3.836 1.433 4.697
101 HE1 TRP 16 HE1 TRP 16 6.313 0.848 4.355
102 HE3 TRP 16 HE3 TRP 16 3.393 -3.637 4.214
103 HZ2 TRP 16 HZ2 TRP 16 7.876 -1.480 3.945
104 HZ3 TRP 16 HZ3 TRP 16 5.425 -4.965 3.848
105 HH2 TRP 16 HH2 TRP 16 7.618 -3.908 3.716
106 H ALA 17 HN ALA 17 1.212 -3.301 3.604
107 HA ALA 17 HA ALA 17 -0.898 -4.178 2.240
108 HB1 ALA 17 HB1 ALA 17 -0.067 -5.165 4.954
109 HB2 ALA 17 HB2 ALA 17 0.689 -5.581 3.415
110 HB3 ALA 17 HB3 ALA 17 -0.970 -6.080 3.749
111 H SER 18 HN SER 18 -1.204 -2.939 5.582
112 HA SER 18 HA SER 18 -4.066 -3.554 5.439
113 HB2 SER 18 HB2 SER 18 -2.456 -2.713 7.854
114 HB3 SER 18 HB1 SER 18 -4.076 -3.411 7.838
115 HG SER 18 HG SER 18 -1.614 -4.649 7.197
116 H GLN 19 HN GLN 19 -2.718 -1.142 4.175
117 HA GLN 19 HA GLN 19 -4.495 0.842 5.425
118 HB2 GLN 19 HB2 GLN 19 -1.677 1.283 4.449
119 HB3 GLN 19 HB1 GLN 19 -2.791 2.588 4.827
120 HG2 GLN 19 HG2 GLN 19 -1.866 0.481 6.764
121 HG3 GLN 19 HG1 GLN 19 -1.219 2.118 6.649
122 HE21 GLN 19 HE21 GLN 19 -2.540 0.776 8.885
123 HE22 GLN 19 HE22 GLN 19 -3.899 1.758 9.298
124 H CYS 20 HN CYS 20 -4.781 -0.925 3.046
125 HA CYS 20 HA CYS 20 -4.495 0.510 0.659
126 HB2 CYS 20 HB2 CYS 20 -6.493 -1.613 1.453
127 HB3 CYS 20 HB1 CYS 20 -6.304 -1.018 -0.189
128 HA PRO 21 HA PRO 21 -7.513 3.818 1.168
129 HB2 PRO 21 HB2 PRO 21 -7.442 3.663 -1.805
130 HB3 PRO 21 HB1 PRO 21 -7.267 5.068 -0.748
131 HG2 PRO 21 HG2 PRO 21 -5.149 4.008 -1.954
132 HG3 PRO 21 HG1 PRO 21 -5.040 4.610 -0.288
133 HD2 PRO 21 HD2 PRO 21 -5.199 1.801 -1.287
134 HD3 PRO 21 HD1 PRO 21 -4.288 2.465 0.083
135 H GLY 22 HN GLY 22 -9.700 3.903 1.147
136 HA2 GLY 22 HA2 GLY 22 -11.858 3.358 0.265
137 HA3 GLY 22 HA1 GLY 22 -11.158 1.916 -0.456
138 H SER 23 HN SER 23 -10.832 3.123 2.836
139 HA SER 23 HA SER 23 -12.105 0.651 3.786
140 HB2 SER 23 HB2 SER 23 -9.935 2.263 5.152
141 HB3 SER 23 HB1 SER 23 -10.620 0.740 5.722
142 HG SER 23 HG SER 23 -8.926 1.225 3.516
143 H VAL 24 HN VAL 24 -13.961 0.952 4.815
144 HA VAL 24 HA VAL 24 -15.094 3.489 5.164
145 HB VAL 24 HB VAL 24 -16.913 2.327 6.383
146 HG11 VAL 24 HG11 VAL 24 -15.992 0.979 3.852
147 HG12 VAL 24 HG12 VAL 24 -16.944 2.458 3.955
148 HG13 VAL 24 HG13 VAL 24 -17.628 0.927 4.504
149 HG21 VAL 24 HG21 VAL 24 -15.182 -0.118 6.026
150 HG22 VAL 24 HG22 VAL 24 -16.852 -0.117 6.589
151 HG23 VAL 24 HG23 VAL 24 -15.595 0.649 7.560
152 HA PRO 25 HA PRO 25 -13.503 4.757 9.092
153 HB2 PRO 25 HB2 PRO 25 -15.363 6.648 9.686
154 HB3 PRO 25 HB1 PRO 25 -14.082 6.895 8.496
155 HG2 PRO 25 HG2 PRO 25 -16.955 6.188 8.072
156 HG3 PRO 25 HG1 PRO 25 -15.925 7.300 7.152
157 HD2 PRO 25 HD2 PRO 25 -16.511 4.778 6.315
158 HD3 PRO 25 HD1 PRO 25 -14.998 5.610 5.902
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