Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
582065 | 2rtz RC | 11536 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855
2 HA ALA 1 HA ALA 1 2.967 -0.619 -1.095
3 HB1 ALA 1 1HB ALA 1 0.317 -0.939 -1.978
4 HB2 ALA 1 2HB ALA 1 1.105 0.136 -3.134
5 HB3 ALA 1 3HB ALA 1 1.799 -1.448 -2.789
6 H CYS 2 H CYS 2 3.758 0.684 -3.024
7 HA CYS 2 HA CYS 2 3.574 3.549 -2.365
8 HB2 CYS 2 2HB CYS 2 5.850 2.156 -3.785
9 HB3 CYS 2 3HB CYS 2 5.828 3.806 -3.169
10 H VAL 3 H VAL 3 3.592 5.071 -4.087
11 HA VAL 3 HA VAL 3 2.677 3.956 -6.659
12 HB VAL 3 HB VAL 3 1.433 6.122 -6.946
13 HG11 VAL 3 1HG1 VAL 3 -0.314 4.891 -6.350
14 HG12 VAL 3 2HG1 VAL 3 0.758 3.813 -5.455
15 HG13 VAL 3 3HG1 VAL 3 0.028 5.202 -4.649
16 HG21 VAL 3 3HG2 VAL 3 2.554 7.532 -5.382
17 HG22 VAL 3 1HG2 VAL 3 0.893 7.336 -4.820
18 HG23 VAL 3 2HG2 VAL 3 2.198 6.435 -4.048
19 H GLU 4 H GLU 4 4.459 6.578 -5.090
20 HA GLU 4 HA GLU 4 6.101 6.828 -7.495
21 HB2 GLU 4 2HB GLU 4 5.975 9.255 -7.484
22 HB3 GLU 4 3HB GLU 4 4.367 8.570 -7.669
23 HG2 GLU 4 2HG GLU 4 4.003 8.920 -5.237
24 HG3 GLU 4 3HG GLU 4 5.557 9.750 -5.172
25 H ASN 5 H ASN 5 6.692 5.563 -5.052
26 HA ASN 5 HA ASN 5 8.399 5.395 -3.557
27 HB2 ASN 5 2HB ASN 5 9.638 7.917 -4.607
28 HB3 ASN 5 3HB ASN 5 10.423 6.452 -4.024
29 HD21 ASN 5 1HD2 ASN 5 10.503 8.073 -6.588
30 HD22 ASN 5 2HD2 ASN 5 10.324 6.887 -7.832
31 H CYS 6 H CYS 6 7.962 5.783 -1.498
32 HA CYS 6 HA CYS 6 6.517 7.902 -0.483
33 HB2 CYS 6 2HB CYS 6 8.115 5.722 0.609
34 HB3 CYS 6 3HB CYS 6 8.155 7.155 1.631
35 H ARG 7 H ARG 7 9.921 7.701 -1.181
36 HA ARG 7 HA ARG 7 10.912 9.784 0.373
37 HB2 ARG 7 2HB ARG 7 11.819 8.194 -1.825
38 HB3 ARG 7 3HB ARG 7 12.223 9.876 -2.143
39 HG2 ARG 7 2HG ARG 7 13.107 9.817 0.318
40 HG3 ARG 7 3HG ARG 7 13.168 8.076 0.030
41 HD2 ARG 7 2HD ARG 7 14.270 9.448 -2.223
42 HD3 ARG 7 3HD ARG 7 15.035 10.044 -0.750
43 HE ARG 7 HE ARG 7 15.017 7.290 -0.551
44 HH11 ARG 7 1HH1 ARG 7 16.347 9.685 -2.700
45 HH12 ARG 7 2HH1 ARG 7 17.717 8.719 -3.139
46 HH21 ARG 7 1HH2 ARG 7 16.817 6.010 -1.120
47 HH22 ARG 7 2HH2 ARG 7 17.983 6.629 -2.240
48 H LYS 8 H LYS 8 10.312 10.090 -3.125
49 HA LYS 8 HA LYS 8 10.174 12.914 -3.037
50 HB2 LYS 8 2HB LYS 8 10.514 11.115 -5.021
51 HB3 LYS 8 3HB LYS 8 8.818 11.512 -5.265
52 HG2 LYS 8 2HG LYS 8 9.738 13.097 -6.591
53 HG3 LYS 8 3HG LYS 8 9.766 13.984 -5.065
54 HD2 LYS 8 2HD LYS 8 11.978 14.154 -5.188
55 HD3 LYS 8 3HD LYS 8 12.125 12.396 -5.232
56 HE2 LYS 8 2HE LYS 8 11.931 12.381 -7.622
57 HE3 LYS 8 3HE LYS 8 11.554 14.103 -7.649
58 HZ1 LYS 8 3HZ LYS 8 13.822 13.837 -8.250
59 HZ2 LYS 8 1HZ LYS 8 14.139 12.846 -6.916
60 HZ3 LYS 8 2HZ LYS 8 13.799 14.487 -6.688
61 H TYR 9 H TYR 9 7.765 10.383 -2.817
62 HA TYR 9 HA TYR 9 5.459 11.889 -3.289
63 HB2 TYR 9 2HB TYR 9 5.197 9.546 -3.216
64 HB3 TYR 9 3HB TYR 9 5.981 9.421 -1.645
65 HD1 TYR 9 HD2 TYR 9 2.932 10.768 -3.304
66 HD2 TYR 9 HD1 TYR 9 4.696 9.359 0.302
67 HE1 TYR 9 HE2 TYR 9 0.731 10.834 -2.209
68 HE2 TYR 9 HE1 TYR 9 2.499 9.420 1.408
69 HH TYR 9 HH TYR 9 -0.425 10.367 -0.369
70 H CYS 10 H CYS 10 7.395 11.475 -0.382
71 HA CYS 10 HA CYS 10 5.544 13.097 1.182
72 HB2 CYS 10 2HB CYS 10 6.998 10.964 1.913
73 HB3 CYS 10 3HB CYS 10 8.150 12.232 2.317
74 H GLN 11 H GLN 11 8.796 13.236 -0.166
75 HA GLN 11 HA GLN 11 9.697 15.576 1.041
76 HB2 GLN 11 2HB GLN 11 10.289 14.331 -1.635
77 HB3 GLN 11 3HB GLN 11 11.073 15.816 -1.114
78 HG2 GLN 11 2HG GLN 11 12.257 14.765 0.561
79 HG3 GLN 11 3HG GLN 11 11.132 13.411 0.649
80 HE21 GLN 11 1HE2 GLN 11 12.730 11.871 0.447
81 HE22 GLN 11 2HE2 GLN 11 13.579 11.594 -1.032
82 H ASP 12 H ASP 12 7.314 15.111 -1.402
83 HA ASP 12 HA ASP 12 7.399 17.800 -2.421
84 HB2 ASP 12 2HB ASP 12 6.586 15.720 -3.674
85 HB3 ASP 12 3HB ASP 12 5.109 15.864 -2.726
86 H LYS 13 H LYS 13 5.852 16.154 0.189
87 HA LYS 13 HA LYS 13 4.074 18.449 0.655
88 HB2 LYS 13 2HB LYS 13 2.995 16.876 2.340
89 HB3 LYS 13 3HB LYS 13 2.799 16.460 0.642
90 HG2 LYS 13 2HG LYS 13 4.601 14.818 0.838
91 HG3 LYS 13 3HG LYS 13 4.785 15.231 2.545
92 HD2 LYS 13 2HD LYS 13 2.053 14.526 1.701
93 HD3 LYS 13 3HD LYS 13 3.231 13.214 1.624
94 HE2 LYS 13 2HE LYS 13 3.059 12.940 3.819
95 HE3 LYS 13 3HE LYS 13 3.636 14.587 4.067
96 HZ1 LYS 13 3HZ LYS 13 1.099 15.054 3.444
97 HZ2 LYS 13 1HZ LYS 13 1.631 14.812 5.032
98 HZ3 LYS 13 2HZ LYS 13 0.930 13.536 4.172
99 H GLY 14 H GLY 14 7.079 17.561 1.434
100 HA2 GLY 14 2HA GLY 14 8.296 18.917 3.024
101 HA3 GLY 14 3HA GLY 14 6.895 18.846 4.081
102 H ALA 15 H ALA 15 9.777 17.251 3.030
103 HA ALA 15 HA ALA 15 10.058 15.780 5.401
104 HB1 ALA 15 1HB ALA 15 9.272 13.701 4.993
105 HB2 ALA 15 2HB ALA 15 8.174 14.572 3.921
106 HB3 ALA 15 3HB ALA 15 9.614 13.793 3.265
107 H ARG 16 H ARG 16 12.112 15.014 5.610
108 HA ARG 16 HA ARG 16 14.011 15.781 3.615
109 HB2 ARG 16 2HB ARG 16 14.050 14.992 6.389
110 HB3 ARG 16 3HB ARG 16 15.291 14.126 5.494
111 HG2 ARG 16 2HG ARG 16 16.590 15.911 5.568
112 HG3 ARG 16 3HG ARG 16 15.378 16.835 4.679
113 HD2 ARG 16 2HD ARG 16 15.107 16.398 7.628
114 HD3 ARG 16 3HD ARG 16 16.154 17.671 7.003
115 HE ARG 16 HE ARG 16 13.510 17.733 5.893
116 HH11 ARG 16 1HH1 ARG 16 15.494 18.711 8.582
117 HH12 ARG 16 2HH1 ARG 16 14.485 20.054 9.006
118 HH21 ARG 16 1HH2 ARG 16 12.174 19.499 6.442
119 HH22 ARG 16 2HH2 ARG 16 12.596 20.501 7.789
120 H ASN 17 H ASN 17 12.555 12.764 4.654
121 HA ASN 17 HA ASN 17 13.419 11.474 2.226
122 HB2 ASN 17 2HB ASN 17 15.235 11.243 4.153
123 HB3 ASN 17 3HB ASN 17 14.154 9.960 4.689
124 HD21 ASN 17 1HD2 ASN 17 14.344 8.032 3.780
125 HD22 ASN 17 2HD2 ASN 17 15.252 7.680 2.352
126 H GLY 18 H GLY 18 12.745 8.977 2.475
127 HA2 GLY 18 2HA GLY 18 10.633 8.265 4.165
128 HA3 GLY 18 3HA GLY 18 9.936 8.984 2.722
129 H LYS 19 H LYS 19 9.440 6.350 3.450
130 HA LYS 19 HA LYS 19 10.173 4.997 1.052
131 HB2 LYS 19 2HB LYS 19 11.133 3.047 2.678
132 HB3 LYS 19 3HB LYS 19 12.144 4.190 1.804
133 HG2 LYS 19 2HG LYS 19 12.606 5.431 3.687
134 HG3 LYS 19 3HG LYS 19 11.154 4.887 4.530
135 HD2 LYS 19 2HD LYS 19 12.097 2.796 5.032
136 HD3 LYS 19 3HD LYS 19 13.385 2.996 3.842
137 HE2 LYS 19 2HE LYS 19 13.615 5.162 5.611
138 HE3 LYS 19 3HE LYS 19 13.331 3.743 6.617
139 HZ1 LYS 19 3HZ LYS 19 15.451 4.013 4.554
140 HZ2 LYS 19 1HZ LYS 19 15.172 2.636 5.497
141 HZ3 LYS 19 2HZ LYS 19 15.684 4.073 6.229
142 H CYS 20 H CYS 20 9.537 2.509 1.377
143 HA CYS 20 HA CYS 20 6.801 2.591 2.364
144 HB2 CYS 20 2HB CYS 20 8.333 0.914 0.461
145 HB3 CYS 20 3HB CYS 20 7.045 0.104 1.346
146 H ILE 21 H ILE 21 5.940 1.141 3.864
147 HA ILE 21 HA ILE 21 7.865 -0.474 5.387
148 HB ILE 21 HB ILE 21 7.425 1.733 6.526
149 HG12 ILE 21 2HG1 ILE 21 6.324 -0.336 8.343
150 HG13 ILE 21 3HG1 ILE 21 7.859 -0.715 7.570
151 HG21 ILE 21 1HG2 ILE 21 5.366 2.392 7.190
152 HG22 ILE 21 2HG2 ILE 21 4.861 1.391 5.829
153 HG23 ILE 21 3HG2 ILE 21 4.807 0.742 7.468
154 HD11 ILE 21 3HD1 ILE 21 7.257 1.680 9.288
155 HD12 ILE 21 1HD1 ILE 21 8.244 0.284 9.722
156 HD13 ILE 21 2HD1 ILE 21 8.784 1.387 8.456
157 H ASN 22 H ASN 22 6.866 -2.142 6.711
158 HA ASN 22 HA ASN 22 5.192 -3.832 5.441
159 HB2 ASN 22 2HB ASN 22 6.318 -4.497 7.472
160 HB3 ASN 22 3HB ASN 22 5.367 -3.360 8.423
161 HD21 ASN 22 1HD2 ASN 22 3.538 -4.044 9.307
162 HD22 ASN 22 2HD2 ASN 22 2.763 -5.550 8.965
163 H SER 23 H SER 23 4.031 -1.652 8.019
164 HA SER 23 HA SER 23 1.331 -2.087 7.749
165 HB2 SER 23 2HB SER 23 2.964 0.227 8.685
166 HB3 SER 23 3HB SER 23 1.238 0.484 8.433
167 HG SER 23 HG SER 23 2.502 -1.353 10.175
168 H ASN 24 H ASN 24 3.365 0.162 5.926
169 HA ASN 24 HA ASN 24 1.989 0.000 3.545
170 HB2 ASN 24 2HB ASN 24 0.640 1.691 5.493
171 HB3 ASN 24 3HB ASN 24 1.051 2.575 4.025
172 HD21 ASN 24 1HD2 ASN 24 0.663 1.026 2.003
173 HD22 ASN 24 2HD2 ASN 24 -0.932 0.364 1.950
174 H CYS 25 H CYS 25 2.780 3.046 5.181
175 HA CYS 25 HA CYS 25 5.343 3.188 3.815
176 HB2 CYS 25 2HB CYS 25 3.129 4.315 2.600
177 HB3 CYS 25 3HB CYS 25 3.851 5.675 3.455
178 H HIS 26 H HIS 26 6.568 5.168 4.470
179 HA HIS 26 HA HIS 26 5.722 6.617 6.787
180 HB2 HIS 26 2HB HIS 26 7.348 5.753 8.366
181 HB3 HIS 26 3HB HIS 26 6.325 4.434 7.804
182 HD1 HIS 26 HD1 HIS 26 7.874 3.941 5.102
183 HD2 HIS 26 HD2 HIS 26 9.598 4.251 8.869
184 HE1 HIS 26 HE1 HIS 26 10.068 2.724 4.939
185 H CYS 27 H CYS 27 6.724 8.530 6.816
186 HA CYS 27 HA CYS 27 8.961 8.936 4.984
187 HB2 CYS 27 2HB CYS 27 7.471 11.058 6.527
188 HB3 CYS 27 3HB CYS 27 8.452 11.262 5.079
189 H TYR 28 H TYR 28 10.430 10.883 5.881
190 HA TYR 28 HA TYR 28 11.165 10.386 8.665
191 HB2 TYR 28 2HB TYR 28 12.973 9.944 6.294
192 HB3 TYR 28 3HB TYR 28 13.603 10.245 7.909
193 HD1 TYR 28 HD2 TYR 28 11.434 7.937 5.966
194 HD2 TYR 28 HD1 TYR 28 13.804 8.494 9.456
195 HE1 TYR 28 HE2 TYR 28 11.214 5.544 6.489
196 HE2 TYR 28 HE1 TYR 28 13.591 6.102 9.988
197 HH TYR 28 HH TYR 28 12.085 4.234 9.502
198 H TYR 29 H TYR 29 11.460 12.261 9.654
199 HA TYR 29 HA TYR 29 12.034 14.639 8.034
200 HB2 TYR 29 2HB TYR 29 11.121 14.608 10.908
201 HB3 TYR 29 3HB TYR 29 11.051 15.942 9.763
202 HD1 TYR 29 HD1 TYR 29 9.898 14.578 7.395
203 HD2 TYR 29 HD2 TYR 29 8.889 14.283 11.518
204 HE1 TYR 29 HE1 TYR 29 7.605 13.935 6.782
205 HE2 TYR 29 HE2 TYR 29 6.593 13.638 10.916
206 HH TYR 29 HH TYR 29 5.574 12.438 8.570
Start of MODEL 2
1 H1 ALA 1 H ALA 1 0.424 1.189 0.011
2 HA ALA 1 HA ALA 1 2.653 -0.429 -0.893
3 HB1 ALA 1 1HB ALA 1 0.566 0.251 -2.934
4 HB2 ALA 1 2HB ALA 1 1.896 -0.903 -3.046
5 HB3 ALA 1 3HB ALA 1 0.503 -1.259 -2.024
6 H CYS 2 H CYS 2 3.657 0.667 -2.917
7 HA CYS 2 HA CYS 2 3.707 3.557 -2.381
8 HB2 CYS 2 2HB CYS 2 5.777 1.792 -3.708
9 HB3 CYS 2 3HB CYS 2 5.942 3.523 -3.433
10 H VAL 3 H VAL 3 3.601 5.049 -4.054
11 HA VAL 3 HA VAL 3 2.682 3.972 -6.641
12 HB VAL 3 HB VAL 3 1.380 6.080 -6.896
13 HG11 VAL 3 1HG1 VAL 3 0.175 5.123 -4.451
14 HG12 VAL 3 2HG1 VAL 3 -0.377 4.956 -6.118
15 HG13 VAL 3 3HG1 VAL 3 0.760 3.789 -5.444
16 HG21 VAL 3 3HG2 VAL 3 2.547 7.551 -5.419
17 HG22 VAL 3 1HG2 VAL 3 0.907 7.362 -4.799
18 HG23 VAL 3 2HG2 VAL 3 2.242 6.497 -4.038
19 H GLU 4 H GLU 4 4.519 6.503 -5.014
20 HA GLU 4 HA GLU 4 6.131 6.832 -7.419
21 HB2 GLU 4 2HB GLU 4 5.975 9.254 -7.400
22 HB3 GLU 4 3HB GLU 4 4.372 8.555 -7.584
23 HG2 GLU 4 2HG GLU 4 4.042 8.879 -5.128
24 HG3 GLU 4 3HG GLU 4 5.563 9.768 -5.105
25 H ASN 5 H ASN 5 6.721 5.557 -4.979
26 HA ASN 5 HA ASN 5 8.421 5.398 -3.475
27 HB2 ASN 5 2HB ASN 5 9.637 7.936 -4.516
28 HB3 ASN 5 3HB ASN 5 10.438 6.485 -3.920
29 HD21 ASN 5 1HD2 ASN 5 10.642 8.045 -6.460
30 HD22 ASN 5 2HD2 ASN 5 10.441 6.871 -7.712
31 H CYS 6 H CYS 6 7.963 5.772 -1.418
32 HA CYS 6 HA CYS 6 6.496 7.875 -0.402
33 HB2 CYS 6 2HB CYS 6 8.080 5.690 0.684
34 HB3 CYS 6 3HB CYS 6 8.144 7.118 1.712
35 H ARG 7 H ARG 7 9.908 7.699 -1.072
36 HA ARG 7 HA ARG 7 10.855 9.796 0.500
37 HB2 ARG 7 2HB ARG 7 11.863 8.141 -1.550
38 HB3 ARG 7 3HB ARG 7 12.163 9.796 -2.062
39 HG2 ARG 7 2HG ARG 7 13.095 10.102 0.338
40 HG3 ARG 7 3HG ARG 7 13.198 8.340 0.328
41 HD2 ARG 7 2HD ARG 7 14.304 9.883 -1.973
42 HD3 ARG 7 3HD ARG 7 15.220 9.807 -0.468
43 HE ARG 7 HE ARG 7 14.408 7.216 -1.253
44 HH11 ARG 7 1HH1 ARG 7 16.661 9.741 -2.072
45 HH12 ARG 7 2HH1 ARG 7 17.835 8.656 -2.741
46 HH21 ARG 7 1HH2 ARG 7 15.945 5.778 -2.131
47 HH22 ARG 7 2HH2 ARG 7 17.426 6.402 -2.775
48 H LYS 8 H LYS 8 10.244 10.029 -3.006
49 HA LYS 8 HA LYS 8 10.139 12.861 -2.978
50 HB2 LYS 8 2HB LYS 8 10.483 11.036 -4.926
51 HB3 LYS 8 3HB LYS 8 8.781 11.400 -5.173
52 HG2 LYS 8 2HG LYS 8 9.224 13.385 -6.081
53 HG3 LYS 8 3HG LYS 8 10.421 13.783 -4.846
54 HD2 LYS 8 2HD LYS 8 11.886 12.030 -6.114
55 HD3 LYS 8 3HD LYS 8 10.776 12.355 -7.447
56 HE2 LYS 8 2HE LYS 8 11.287 14.766 -7.229
57 HE3 LYS 8 3HE LYS 8 12.463 14.377 -5.975
58 HZ1 LYS 8 3HZ LYS 8 13.950 13.673 -7.475
59 HZ2 LYS 8 1HZ LYS 8 13.044 14.580 -8.580
60 HZ3 LYS 8 2HZ LYS 8 12.792 12.913 -8.447
61 H TYR 9 H TYR 9 7.720 10.349 -2.691
62 HA TYR 9 HA TYR 9 5.421 11.866 -3.192
63 HB2 TYR 9 2HB TYR 9 5.136 9.528 -3.095
64 HB3 TYR 9 3HB TYR 9 5.929 9.408 -1.529
65 HD1 TYR 9 HD1 TYR 9 2.881 10.771 -3.178
66 HD2 TYR 9 HD2 TYR 9 4.656 9.373 0.427
67 HE1 TYR 9 HE1 TYR 9 0.688 10.863 -2.069
68 HE2 TYR 9 HE2 TYR 9 2.468 9.461 1.546
69 HH TYR 9 HH TYR 9 -0.047 9.332 0.683
70 H CYS 10 H CYS 10 7.345 11.452 -0.273
71 HA CYS 10 HA CYS 10 5.510 13.103 1.275
72 HB2 CYS 10 2HB CYS 10 6.985 10.975 2.012
73 HB3 CYS 10 3HB CYS 10 8.113 12.262 2.424
74 H GLN 11 H GLN 11 8.776 13.215 -0.053
75 HA GLN 11 HA GLN 11 9.639 15.596 1.120
76 HB2 GLN 11 2HB GLN 11 10.328 14.254 -1.484
77 HB3 GLN 11 3HB GLN 11 11.087 15.763 -0.995
78 HG2 GLN 11 2HG GLN 11 12.305 14.784 0.651
79 HG3 GLN 11 3HG GLN 11 11.100 13.533 0.953
80 HE21 GLN 11 1HE2 GLN 11 13.665 12.785 0.879
81 HE22 GLN 11 2HE2 GLN 11 14.016 11.909 -0.568
82 H ASP 12 H ASP 12 7.317 15.039 -1.351
83 HA ASP 12 HA ASP 12 7.438 17.698 -2.461
84 HB2 ASP 12 2HB ASP 12 6.628 15.441 -3.565
85 HB3 ASP 12 3HB ASP 12 5.083 15.898 -2.854
86 H LYS 13 H LYS 13 5.967 16.209 0.227
87 HA LYS 13 HA LYS 13 4.114 18.480 0.533
88 HB2 LYS 13 2HB LYS 13 3.017 16.864 2.249
89 HB3 LYS 13 3HB LYS 13 2.731 16.614 0.531
90 HG2 LYS 13 2HG LYS 13 4.485 14.891 0.511
91 HG3 LYS 13 3HG LYS 13 4.700 15.116 2.248
92 HD2 LYS 13 2HD LYS 13 3.276 13.192 1.802
93 HD3 LYS 13 3HD LYS 13 2.361 14.466 2.612
94 HE2 LYS 13 2HE LYS 13 2.322 14.580 -0.323
95 HE3 LYS 13 3HE LYS 13 1.548 13.159 0.374
96 HZ1 LYS 13 3HZ LYS 13 0.735 15.394 1.840
97 HZ2 LYS 13 1HZ LYS 13 -0.205 14.400 0.844
98 HZ3 LYS 13 2HZ LYS 13 0.549 15.770 0.201
99 H GLY 14 H GLY 14 7.064 17.586 1.446
100 HA2 GLY 14 2HA GLY 14 8.197 18.954 3.097
101 HA3 GLY 14 3HA GLY 14 6.760 18.835 4.102
102 H ALA 15 H ALA 15 9.688 17.280 3.081
103 HA ALA 15 HA ALA 15 9.956 15.798 5.445
104 HB1 ALA 15 1HB ALA 15 8.887 14.252 3.094
105 HB2 ALA 15 2HB ALA 15 9.705 13.496 4.463
106 HB3 ALA 15 3HB ALA 15 8.199 14.380 4.714
107 H ARG 16 H ARG 16 12.016 15.068 5.669
108 HA ARG 16 HA ARG 16 13.920 15.832 3.681
109 HB2 ARG 16 2HB ARG 16 13.963 14.901 6.453
110 HB3 ARG 16 3HB ARG 16 15.299 14.274 5.496
111 HG2 ARG 16 2HG ARG 16 16.131 16.240 6.413
112 HG3 ARG 16 3HG ARG 16 15.672 16.701 4.773
113 HD2 ARG 16 2HD ARG 16 14.684 18.415 5.880
114 HD3 ARG 16 3HD ARG 16 13.373 17.242 6.008
115 HE ARG 16 HE ARG 16 13.703 17.197 8.265
116 HH11 ARG 16 1HH1 ARG 16 16.553 18.496 6.745
117 HH12 ARG 16 2HH1 ARG 16 17.325 18.902 8.242
118 HH21 ARG 16 1HH2 ARG 16 14.709 17.728 10.243
119 HH22 ARG 16 2HH2 ARG 16 16.276 18.464 10.231
120 H ASN 17 H ASN 17 12.509 12.797 4.753
121 HA ASN 17 HA ASN 17 13.382 11.507 2.322
122 HB2 ASN 17 2HB ASN 17 15.195 11.299 4.249
123 HB3 ASN 17 3HB ASN 17 14.119 10.020 4.804
124 HD21 ASN 17 1HD2 ASN 17 14.042 8.119 3.722
125 HD22 ASN 17 2HD2 ASN 17 15.055 7.735 2.376
126 H GLY 18 H GLY 18 12.717 9.016 2.558
127 HA2 GLY 18 2HA GLY 18 10.614 8.278 4.247
128 HA3 GLY 18 3HA GLY 18 9.907 9.007 2.812
129 H LYS 19 H LYS 19 9.467 6.346 3.557
130 HA LYS 19 HA LYS 19 10.196 5.023 1.131
131 HB2 LYS 19 2HB LYS 19 11.151 3.065 2.750
132 HB3 LYS 19 3HB LYS 19 12.164 4.214 1.887
133 HG2 LYS 19 2HG LYS 19 12.616 5.445 3.778
134 HG3 LYS 19 3HG LYS 19 11.160 4.896 4.612
135 HD2 LYS 19 2HD LYS 19 12.103 2.793 5.092
136 HD3 LYS 19 3HD LYS 19 13.411 3.024 3.929
137 HE2 LYS 19 2HE LYS 19 13.604 5.165 5.720
138 HE3 LYS 19 3HE LYS 19 13.282 3.746 6.715
139 HZ1 LYS 19 3HZ LYS 19 15.616 3.931 6.468
140 HZ2 LYS 19 1HZ LYS 19 15.506 4.129 4.791
141 HZ3 LYS 19 2HZ LYS 19 15.133 2.636 5.493
142 H CYS 20 H CYS 20 9.567 2.529 1.439
143 HA CYS 20 HA CYS 20 6.824 2.597 2.404
144 HB2 CYS 20 2HB CYS 20 8.385 0.903 0.529
145 HB3 CYS 20 3HB CYS 20 7.052 0.126 1.376
146 H ILE 21 H ILE 21 5.954 1.125 3.883
147 HA ILE 21 HA ILE 21 7.871 -0.487 5.416
148 HB ILE 21 HB ILE 21 7.429 1.711 6.565
149 HG12 ILE 21 2HG1 ILE 21 6.297 -0.370 8.354
150 HG13 ILE 21 3HG1 ILE 21 7.847 -0.737 7.604
151 HG21 ILE 21 1HG2 ILE 21 4.801 0.741 7.488
152 HG22 ILE 21 2HG2 ILE 21 5.368 2.385 7.197
153 HG23 ILE 21 3HG2 ILE 21 4.865 1.373 5.843
154 HD11 ILE 21 3HD1 ILE 21 7.207 1.642 9.330
155 HD12 ILE 21 1HD1 ILE 21 8.191 0.246 9.771
156 HD13 ILE 21 2HD1 ILE 21 8.749 1.361 8.522
157 H ASN 22 H ASN 22 6.866 -2.163 6.724
158 HA ASN 22 HA ASN 22 5.197 -3.845 5.437
159 HB2 ASN 22 2HB ASN 22 6.030 -3.501 8.204
160 HB3 ASN 22 3HB ASN 22 4.424 -4.213 8.085
161 HD21 ASN 22 1HD2 ASN 22 7.042 -5.324 8.918
162 HD22 ASN 22 2HD2 ASN 22 7.267 -6.730 7.940
163 H SER 23 H SER 23 4.030 -1.678 8.023
164 HA SER 23 HA SER 23 1.330 -2.113 7.744
165 HB2 SER 23 2HB SER 23 2.974 -0.244 9.094
166 HB3 SER 23 3HB SER 23 1.742 0.685 8.240
167 HG SER 23 HG SER 23 1.408 -0.453 10.499
168 H ASN 24 H ASN 24 3.371 0.143 5.937
169 HA ASN 24 HA ASN 24 2.004 -0.005 3.551
170 HB2 ASN 24 2HB ASN 24 0.638 1.666 5.503
171 HB3 ASN 24 3HB ASN 24 1.059 2.567 4.049
172 HD21 ASN 24 1HD2 ASN 24 -1.298 2.675 3.857
173 HD22 ASN 24 2HD2 ASN 24 -2.121 1.378 3.067
174 H CYS 25 H CYS 25 2.779 3.034 5.209
175 HA CYS 25 HA CYS 25 5.348 3.190 3.855
176 HB2 CYS 25 2HB CYS 25 3.140 4.316 2.633
177 HB3 CYS 25 3HB CYS 25 3.843 5.674 3.506
178 H HIS 26 H HIS 26 6.573 5.158 4.533
179 HA HIS 26 HA HIS 26 5.711 6.592 6.856
180 HB2 HIS 26 2HB HIS 26 7.335 5.721 8.432
181 HB3 HIS 26 3HB HIS 26 6.320 4.402 7.856
182 HD1 HIS 26 HD1 HIS 26 7.871 3.922 5.160
183 HD2 HIS 26 HD2 HIS 26 9.599 4.241 8.925
184 HE1 HIS 26 HE1 HIS 26 10.073 2.721 4.993
185 H CYS 27 H CYS 27 6.684 8.516 6.866
186 HA CYS 27 HA CYS 27 8.932 8.940 5.056
187 HB2 CYS 27 2HB CYS 27 7.435 11.050 6.608
188 HB3 CYS 27 3HB CYS 27 8.408 11.261 5.156
189 H TYR 28 H TYR 28 10.372 10.909 5.980
190 HA TYR 28 HA TYR 28 11.105 10.400 8.759
191 HB2 TYR 28 2HB TYR 28 12.924 9.959 6.396
192 HB3 TYR 28 3HB TYR 28 13.548 10.263 8.013
193 HD1 TYR 28 HD2 TYR 28 11.429 7.940 6.041
194 HD2 TYR 28 HD1 TYR 28 13.706 8.524 9.587
195 HE1 TYR 28 HE2 TYR 28 11.211 5.547 6.568
196 HE2 TYR 28 HE1 TYR 28 13.496 6.133 10.124
197 HH TYR 28 HH TYR 28 12.522 4.201 9.573
198 H TYR 29 H TYR 29 11.386 12.277 9.748
199 HA TYR 29 HA TYR 29 11.976 14.654 8.130
200 HB2 TYR 29 2HB TYR 29 11.028 14.628 10.993
201 HB3 TYR 29 3HB TYR 29 10.969 15.960 9.844
202 HD1 TYR 29 HD1 TYR 29 9.847 14.585 7.466
203 HD2 TYR 29 HD2 TYR 29 8.788 14.304 11.577
204 HE1 TYR 29 HE1 TYR 29 7.562 13.937 6.827
205 HE2 TYR 29 HE2 TYR 29 6.501 13.654 10.949
206 HH TYR 29 HH TYR 29 5.464 13.610 7.572
Start of MODEL 3
1 H1 ALA 1 H ALA 1 -0.219 2.499 -0.321
2 HA ALA 1 HA ALA 1 1.640 0.862 -0.477
3 HB1 ALA 1 1HB ALA 1 1.758 -0.010 -2.981
4 HB2 ALA 1 2HB ALA 1 0.877 -0.880 -1.725
5 HB3 ALA 1 3HB ALA 1 0.007 0.161 -2.852
6 H CYS 2 H CYS 2 3.527 1.104 -2.100
7 HA CYS 2 HA CYS 2 4.041 3.877 -2.398
8 HB2 CYS 2 2HB CYS 2 5.582 1.565 -3.592
9 HB3 CYS 2 3HB CYS 2 6.178 3.200 -3.328
10 H VAL 3 H VAL 3 3.733 5.206 -4.070
11 HA VAL 3 HA VAL 3 2.924 4.021 -6.647
12 HB VAL 3 HB VAL 3 1.658 6.162 -7.024
13 HG11 VAL 3 1HG1 VAL 3 -0.088 5.484 -5.129
14 HG12 VAL 3 2HG1 VAL 3 0.185 4.493 -6.564
15 HG13 VAL 3 3HG1 VAL 3 0.967 4.074 -5.039
16 HG21 VAL 3 3HG2 VAL 3 2.702 7.621 -5.451
17 HG22 VAL 3 1HG2 VAL 3 1.025 7.411 -4.946
18 HG23 VAL 3 2HG2 VAL 3 2.313 6.546 -4.108
19 H GLU 4 H GLU 4 4.607 6.707 -5.076
20 HA GLU 4 HA GLU 4 6.307 6.948 -7.448
21 HB2 GLU 4 2HB GLU 4 6.176 9.379 -7.421
22 HB3 GLU 4 3HB GLU 4 4.578 8.685 -7.656
23 HG2 GLU 4 2HG GLU 4 4.131 9.021 -5.243
24 HG3 GLU 4 3HG GLU 4 5.686 9.839 -5.109
25 H ASN 5 H ASN 5 6.888 5.669 -5.025
26 HA ASN 5 HA ASN 5 8.578 5.502 -3.511
27 HB2 ASN 5 2HB ASN 5 9.778 8.064 -4.516
28 HB3 ASN 5 3HB ASN 5 10.589 6.620 -3.918
29 HD21 ASN 5 1HD2 ASN 5 10.584 8.275 -6.501
30 HD22 ASN 5 2HD2 ASN 5 10.497 7.074 -7.740
31 H CYS 6 H CYS 6 8.139 5.850 -1.446
32 HA CYS 6 HA CYS 6 6.627 7.913 -0.407
33 HB2 CYS 6 2HB CYS 6 8.255 5.749 0.653
34 HB3 CYS 6 3HB CYS 6 8.297 7.168 1.695
35 H ARG 7 H ARG 7 10.035 7.821 -1.101
36 HA ARG 7 HA ARG 7 10.948 9.917 0.494
37 HB2 ARG 7 2HB ARG 7 11.941 8.352 -1.680
38 HB3 ARG 7 3HB ARG 7 12.296 10.044 -2.005
39 HG2 ARG 7 2HG ARG 7 13.119 9.999 0.498
40 HG3 ARG 7 3HG ARG 7 13.294 8.275 0.160
41 HD2 ARG 7 2HD ARG 7 14.441 10.419 -1.613
42 HD3 ARG 7 3HD ARG 7 15.332 9.714 -0.265
43 HE ARG 7 HE ARG 7 14.832 8.515 -2.817
44 HH11 ARG 7 1HH1 ARG 7 15.435 7.871 0.550
45 HH12 ARG 7 2HH1 ARG 7 16.093 6.294 0.265
46 HH21 ARG 7 1HH2 ARG 7 15.696 6.440 -3.205
47 HH22 ARG 7 2HH2 ARG 7 16.241 5.481 -1.871
48 H LYS 8 H LYS 8 10.381 10.207 -3.011
49 HA LYS 8 HA LYS 8 10.171 13.031 -2.918
50 HB2 LYS 8 2HB LYS 8 10.602 11.247 -4.901
51 HB3 LYS 8 3HB LYS 8 8.902 11.601 -5.179
52 HG2 LYS 8 2HG LYS 8 9.319 13.681 -5.921
53 HG3 LYS 8 3HG LYS 8 10.625 13.947 -4.764
54 HD2 LYS 8 2HD LYS 8 11.125 11.960 -6.899
55 HD3 LYS 8 3HD LYS 8 11.036 13.651 -7.397
56 HE2 LYS 8 2HE LYS 8 12.678 14.126 -5.512
57 HE3 LYS 8 3HE LYS 8 12.917 12.381 -5.424
58 HZ1 LYS 8 3HZ LYS 8 13.241 13.874 -7.956
59 HZ2 LYS 8 1HZ LYS 8 13.808 12.328 -7.568
60 HZ3 LYS 8 2HZ LYS 8 14.516 13.691 -6.860
61 H TYR 9 H TYR 9 7.845 10.435 -2.698
62 HA TYR 9 HA TYR 9 5.500 11.871 -3.230
63 HB2 TYR 9 2HB TYR 9 5.307 9.521 -3.166
64 HB3 TYR 9 3HB TYR 9 6.064 9.416 -1.581
65 HD1 TYR 9 HD1 TYR 9 3.017 10.730 -3.280
66 HD2 TYR 9 HD2 TYR 9 4.737 9.264 0.325
67 HE1 TYR 9 HE1 TYR 9 0.795 10.729 -2.227
68 HE2 TYR 9 HE2 TYR 9 2.518 9.258 1.387
69 HH TYR 9 HH TYR 9 0.363 10.263 1.153
70 H CYS 10 H CYS 10 7.369 11.471 -0.271
71 HA CYS 10 HA CYS 10 5.455 13.056 1.249
72 HB2 CYS 10 2HB CYS 10 6.951 10.949 1.999
73 HB3 CYS 10 3HB CYS 10 8.044 12.251 2.456
74 H GLN 11 H GLN 11 8.724 13.272 -0.039
75 HA GLN 11 HA GLN 11 9.562 15.617 1.207
76 HB2 GLN 11 2HB GLN 11 10.224 14.370 -1.446
77 HB3 GLN 11 3HB GLN 11 10.938 15.904 -0.964
78 HG2 GLN 11 2HG GLN 11 12.228 14.959 0.656
79 HG3 GLN 11 3HG GLN 11 11.098 13.637 0.941
80 HE21 GLN 11 1HE2 GLN 11 13.421 12.683 0.901
81 HE22 GLN 11 2HE2 GLN 11 13.899 12.003 -0.614
82 H ASP 12 H ASP 12 7.237 15.129 -1.293
83 HA ASP 12 HA ASP 12 7.281 17.831 -2.277
84 HB2 ASP 12 2HB ASP 12 6.470 15.625 -3.455
85 HB3 ASP 12 3HB ASP 12 4.943 16.001 -2.663
86 H LYS 13 H LYS 13 5.753 16.143 0.308
87 HA LYS 13 HA LYS 13 3.924 18.401 0.767
88 HB2 LYS 13 2HB LYS 13 2.827 16.786 2.402
89 HB3 LYS 13 3HB LYS 13 2.666 16.404 0.693
90 HG2 LYS 13 2HG LYS 13 4.497 14.782 0.896
91 HG3 LYS 13 3HG LYS 13 4.611 15.147 2.620
92 HD2 LYS 13 2HD LYS 13 1.921 14.437 1.657
93 HD3 LYS 13 3HD LYS 13 3.116 13.141 1.579
94 HE2 LYS 13 2HE LYS 13 2.400 12.812 3.709
95 HE3 LYS 13 3HE LYS 13 3.641 14.022 4.035
96 HZ1 LYS 13 3HZ LYS 13 0.727 14.286 4.094
97 HZ2 LYS 13 1HZ LYS 13 1.633 15.637 3.627
98 HZ3 LYS 13 2HZ LYS 13 1.890 14.928 5.141
99 H GLY 14 H GLY 14 6.922 17.569 1.575
100 HA2 GLY 14 2HA GLY 14 8.085 18.901 3.221
101 HA3 GLY 14 3HA GLY 14 6.668 18.774 4.253
102 H ALA 15 H ALA 15 9.596 17.260 3.201
103 HA ALA 15 HA ALA 15 9.897 15.751 5.538
104 HB1 ALA 15 1HB ALA 15 9.530 13.730 3.455
105 HB2 ALA 15 2HB ALA 15 9.029 13.724 5.146
106 HB3 ALA 15 3HB ALA 15 8.044 14.548 3.939
107 H ARG 16 H ARG 16 11.960 14.998 5.724
108 HA ARG 16 HA ARG 16 13.841 15.811 3.732
109 HB2 ARG 16 2HB ARG 16 13.903 14.936 6.491
110 HB3 ARG 16 3HB ARG 16 15.168 14.151 5.555
111 HG2 ARG 16 2HG ARG 16 16.341 15.991 6.061
112 HG3 ARG 16 3HG ARG 16 15.447 16.702 4.716
113 HD2 ARG 16 2HD ARG 16 13.686 17.338 6.450
114 HD3 ARG 16 3HD ARG 16 14.904 16.943 7.661
115 HE ARG 16 HE ARG 16 15.928 18.926 7.195
116 HH11 ARG 16 1HH1 ARG 16 13.880 18.074 4.512
117 HH12 ARG 16 2HH1 ARG 16 14.145 19.564 3.667
118 HH21 ARG 16 1HH2 ARG 16 16.286 20.891 6.093
119 HH22 ARG 16 2HH2 ARG 16 15.515 21.165 4.567
120 H ASN 17 H ASN 17 12.670 12.685 4.926
121 HA ASN 17 HA ASN 17 13.519 11.463 2.414
122 HB2 ASN 17 2HB ASN 17 15.237 11.183 4.389
123 HB3 ASN 17 3HB ASN 17 14.094 9.960 4.938
124 HD21 ASN 17 1HD2 ASN 17 13.916 8.055 3.844
125 HD22 ASN 17 2HD2 ASN 17 14.976 7.594 2.559
126 H GLY 18 H GLY 18 12.713 9.084 2.377
127 HA2 GLY 18 2HA GLY 18 10.482 8.381 3.994
128 HA3 GLY 18 3HA GLY 18 9.944 9.069 2.470
129 H LYS 19 H LYS 19 9.665 6.339 3.553
130 HA LYS 19 HA LYS 19 10.458 4.936 1.155
131 HB2 LYS 19 2HB LYS 19 11.301 3.135 3.103
132 HB3 LYS 19 3HB LYS 19 12.326 4.039 1.996
133 HG2 LYS 19 2HG LYS 19 12.522 5.833 3.649
134 HG3 LYS 19 3HG LYS 19 11.510 4.910 4.761
135 HD2 LYS 19 2HD LYS 19 14.082 3.843 3.616
136 HD3 LYS 19 3HD LYS 19 14.007 4.746 5.131
137 HE2 LYS 19 2HE LYS 19 12.836 3.076 6.219
138 HE3 LYS 19 3HE LYS 19 12.214 2.392 4.718
139 HZ1 LYS 19 3HZ LYS 19 14.577 1.736 4.233
140 HZ2 LYS 19 1HZ LYS 19 13.836 0.904 5.506
141 HZ3 LYS 19 2HZ LYS 19 14.945 2.137 5.834
142 H CYS 20 H CYS 20 9.820 2.475 1.497
143 HA CYS 20 HA CYS 20 7.048 2.539 2.391
144 HB2 CYS 20 2HB CYS 20 8.617 0.970 0.460
145 HB3 CYS 20 3HB CYS 20 7.436 0.030 1.366
146 H ILE 21 H ILE 21 6.158 1.057 3.850
147 HA ILE 21 HA ILE 21 8.058 -0.547 5.413
148 HB ILE 21 HB ILE 21 7.566 1.645 6.558
149 HG12 ILE 21 2HG1 ILE 21 6.435 -0.456 8.322
150 HG13 ILE 21 3HG1 ILE 21 8.000 -0.802 7.595
151 HG21 ILE 21 1HG2 ILE 21 5.023 1.278 5.789
152 HG22 ILE 21 2HG2 ILE 21 4.934 0.626 7.424
153 HG23 ILE 21 3HG2 ILE 21 5.483 2.282 7.164
154 HD11 ILE 21 3HD1 ILE 21 7.637 0.516 9.926
155 HD12 ILE 21 1HD1 ILE 21 9.064 0.667 8.902
156 HD13 ILE 21 2HD1 ILE 21 7.770 1.860 8.792
157 H ASN 22 H ASN 22 7.038 -2.234 6.700
158 HA ASN 22 HA ASN 22 5.415 -3.930 5.369
159 HB2 ASN 22 2HB ASN 22 6.439 -3.798 7.964
160 HB3 ASN 22 3HB ASN 22 4.703 -3.994 8.184
161 HD21 ASN 22 1HD2 ASN 22 4.231 -6.032 8.522
162 HD22 ASN 22 2HD2 ASN 22 4.918 -7.390 7.702
163 H SER 23 H SER 23 4.168 -1.783 7.935
164 HA SER 23 HA SER 23 1.479 -2.242 7.592
165 HB2 SER 23 2HB SER 23 3.114 -0.148 8.794
166 HB3 SER 23 3HB SER 23 1.586 0.473 8.169
167 HG SER 23 HG SER 23 0.775 -0.307 9.937
168 H ASN 24 H ASN 24 3.541 0.031 5.833
169 HA ASN 24 HA ASN 24 2.225 -0.123 3.418
170 HB2 ASN 24 2HB ASN 24 0.812 1.539 5.343
171 HB3 ASN 24 3HB ASN 24 1.257 2.444 3.899
172 HD21 ASN 24 1HD2 ASN 24 -1.097 2.540 3.661
173 HD22 ASN 24 2HD2 ASN 24 -1.897 1.239 2.853
174 H CYS 25 H CYS 25 2.951 2.919 5.094
175 HA CYS 25 HA CYS 25 5.548 3.089 3.798
176 HB2 CYS 25 2HB CYS 25 3.360 4.201 2.525
177 HB3 CYS 25 3HB CYS 25 4.043 5.564 3.406
178 H HIS 26 H HIS 26 6.729 5.091 4.487
179 HA HIS 26 HA HIS 26 5.798 6.480 6.819
180 HB2 HIS 26 2HB HIS 26 7.469 5.664 8.379
181 HB3 HIS 26 3HB HIS 26 6.504 4.311 7.796
182 HD1 HIS 26 HD1 HIS 26 7.985 3.763 5.142
183 HD2 HIS 26 HD2 HIS 26 9.864 4.430 8.787
184 HE1 HIS 26 HE1 HIS 26 10.251 2.693 4.936
185 H CYS 27 H CYS 27 6.732 8.429 6.925
186 HA CYS 27 HA CYS 27 8.971 8.962 5.115
187 HB2 CYS 27 2HB CYS 27 7.323 11.012 6.592
188 HB3 CYS 27 3HB CYS 27 8.320 11.250 5.161
189 H TYR 28 H TYR 28 10.344 10.942 6.011
190 HA TYR 28 HA TYR 28 10.997 10.530 8.833
191 HB2 TYR 28 2HB TYR 28 12.918 10.189 6.530
192 HB3 TYR 28 3HB TYR 28 13.456 10.487 8.180
193 HD1 TYR 28 HD2 TYR 28 11.470 8.125 6.105
194 HD2 TYR 28 HD1 TYR 28 13.679 8.714 9.694
195 HE1 TYR 28 HE2 TYR 28 11.334 5.715 6.578
196 HE2 TYR 28 HE1 TYR 28 13.551 6.306 10.175
197 HH TYR 28 HH TYR 28 13.247 4.167 8.794
198 H TYR 29 H TYR 29 11.010 12.454 9.765
199 HA TYR 29 HA TYR 29 11.592 14.828 8.150
200 HB2 TYR 29 2HB TYR 29 10.498 14.781 10.961
201 HB3 TYR 29 3HB TYR 29 10.439 16.102 9.800
202 HD1 TYR 29 HD1 TYR 29 9.504 14.698 7.374
203 HD2 TYR 29 HD2 TYR 29 8.260 14.315 11.425
204 HE1 TYR 29 HE1 TYR 29 7.292 13.936 6.617
205 HE2 TYR 29 HE2 TYR 29 6.045 13.551 10.679
206 HH TYR 29 HH TYR 29 5.272 12.312 8.179
Start of MODEL 4
1 H1 ALA 1 H ALA 1 -0.802 1.862 -0.355
2 HA ALA 1 HA ALA 1 1.777 0.886 -0.364
3 HB1 ALA 1 1HB ALA 1 -0.459 0.363 -1.798
4 HB2 ALA 1 2HB ALA 1 0.560 1.112 -3.028
5 HB3 ALA 1 3HB ALA 1 1.133 -0.309 -2.155
6 H CYS 2 H CYS 2 3.310 1.131 -2.328
7 HA CYS 2 HA CYS 2 4.101 3.922 -2.408
8 HB2 CYS 2 2HB CYS 2 5.495 1.551 -3.661
9 HB3 CYS 2 3HB CYS 2 6.185 3.134 -3.321
10 H VAL 3 H VAL 3 3.783 5.263 -4.062
11 HA VAL 3 HA VAL 3 2.924 4.114 -6.639
12 HB VAL 3 HB VAL 3 1.684 6.274 -6.986
13 HG11 VAL 3 1HG1 VAL 3 -0.021 4.949 -6.470
14 HG12 VAL 3 2HG1 VAL 3 0.989 4.010 -5.369
15 HG13 VAL 3 3HG1 VAL 3 0.148 5.448 -4.787
16 HG21 VAL 3 3HG2 VAL 3 2.366 6.624 -4.072
17 HG22 VAL 3 1HG2 VAL 3 2.762 7.704 -5.409
18 HG23 VAL 3 2HG2 VAL 3 1.086 7.517 -4.894
19 H GLU 4 H GLU 4 4.660 6.756 -5.053
20 HA GLU 4 HA GLU 4 6.351 6.994 -7.429
21 HB2 GLU 4 2HB GLU 4 6.243 9.424 -7.401
22 HB3 GLU 4 3HB GLU 4 4.636 8.748 -7.628
23 HG2 GLU 4 2HG GLU 4 4.214 9.085 -5.206
24 HG3 GLU 4 3HG GLU 4 5.774 9.897 -5.092
25 H ASN 5 H ASN 5 6.914 5.707 -5.000
26 HA ASN 5 HA ASN 5 8.602 5.520 -3.486
27 HB2 ASN 5 2HB ASN 5 9.844 8.061 -4.493
28 HB3 ASN 5 3HB ASN 5 10.630 6.599 -3.904
29 HD21 ASN 5 1HD2 ASN 5 10.714 8.243 -6.464
30 HD22 ASN 5 2HD2 ASN 5 10.574 7.058 -7.715
31 H CYS 6 H CYS 6 8.154 5.880 -1.425
32 HA CYS 6 HA CYS 6 6.682 7.974 -0.395
33 HB2 CYS 6 2HB CYS 6 8.229 5.766 0.666
34 HB3 CYS 6 3HB CYS 6 8.363 7.185 1.699
35 H ARG 7 H ARG 7 10.093 7.809 -1.067
36 HA ARG 7 HA ARG 7 11.040 9.891 0.523
37 HB2 ARG 7 2HB ARG 7 12.011 8.302 -1.641
38 HB3 ARG 7 3HB ARG 7 12.396 9.985 -1.975
39 HG2 ARG 7 2HG ARG 7 13.235 9.968 0.505
40 HG3 ARG 7 3HG ARG 7 13.335 8.227 0.233
41 HD2 ARG 7 2HD ARG 7 14.525 10.147 -1.731
42 HD3 ARG 7 3HD ARG 7 15.400 9.713 -0.263
43 HE ARG 7 HE ARG 7 14.685 7.319 -1.339
44 HH11 ARG 7 1HH1 ARG 7 16.398 10.110 -2.518
45 HH12 ARG 7 2HH1 ARG 7 17.389 9.202 -3.612
46 HH21 ARG 7 1HH2 ARG 7 15.983 6.112 -2.775
47 HH22 ARG 7 2HH2 ARG 7 17.152 6.928 -3.757
48 H LYS 8 H LYS 8 10.481 10.184 -2.984
49 HA LYS 8 HA LYS 8 10.335 13.012 -2.901
50 HB2 LYS 8 2HB LYS 8 10.738 11.231 -4.878
51 HB3 LYS 8 3HB LYS 8 9.035 11.576 -5.149
52 HG2 LYS 8 2HG LYS 8 9.628 13.385 -6.273
53 HG3 LYS 8 3HG LYS 8 10.280 14.062 -4.778
54 HD2 LYS 8 2HD LYS 8 11.999 14.106 -6.457
55 HD3 LYS 8 3HD LYS 8 12.422 12.889 -5.250
56 HE2 LYS 8 2HE LYS 8 11.864 11.118 -6.679
57 HE3 LYS 8 3HE LYS 8 10.942 12.164 -7.758
58 HZ1 LYS 8 3HZ LYS 8 13.551 11.386 -8.073
59 HZ2 LYS 8 1HZ LYS 8 13.659 12.995 -7.562
60 HZ3 LYS 8 2HZ LYS 8 12.755 12.603 -8.936
61 H TYR 9 H TYR 9 7.946 10.468 -2.689
62 HA TYR 9 HA TYR 9 5.636 11.962 -3.211
63 HB2 TYR 9 2HB TYR 9 5.390 9.616 -3.150
64 HB3 TYR 9 3HB TYR 9 6.141 9.493 -1.563
65 HD1 TYR 9 HD1 TYR 9 3.136 10.914 -3.255
66 HD2 TYR 9 HD2 TYR 9 4.800 9.334 0.328
67 HE1 TYR 9 HE1 TYR 9 0.912 10.966 -2.206
68 HE2 TYR 9 HE2 TYR 9 2.581 9.380 1.386
69 HH TYR 9 HH TYR 9 0.343 9.570 0.964
70 H CYS 10 H CYS 10 7.450 11.452 -0.223
71 HA CYS 10 HA CYS 10 5.590 13.088 1.297
72 HB2 CYS 10 2HB CYS 10 7.050 10.959 2.035
73 HB3 CYS 10 3HB CYS 10 8.179 12.236 2.478
74 H GLN 11 H GLN 11 8.854 13.269 -0.008
75 HA GLN 11 HA GLN 11 9.734 15.593 1.242
76 HB2 GLN 11 2HB GLN 11 10.355 14.338 -1.414
77 HB3 GLN 11 3HB GLN 11 11.076 15.877 -0.962
78 HG2 GLN 11 2HG GLN 11 12.357 14.951 0.697
79 HG3 GLN 11 3HG GLN 11 11.263 13.589 0.930
80 HE21 GLN 11 1HE2 GLN 11 13.064 12.189 0.842
81 HE22 GLN 11 2HE2 GLN 11 13.792 11.767 -0.666
82 H ASP 12 H ASP 12 7.389 15.155 -1.253
83 HA ASP 12 HA ASP 12 7.455 17.863 -2.211
84 HB2 ASP 12 2HB ASP 12 6.590 15.662 -3.380
85 HB3 ASP 12 3HB ASP 12 5.076 16.091 -2.590
86 H LYS 13 H LYS 13 5.903 16.165 0.361
87 HA LYS 13 HA LYS 13 4.119 18.449 0.860
88 HB2 LYS 13 2HB LYS 13 3.011 16.842 2.488
89 HB3 LYS 13 3HB LYS 13 2.841 16.463 0.779
90 HG2 LYS 13 2HG LYS 13 4.645 14.816 0.972
91 HG3 LYS 13 3HG LYS 13 4.785 15.185 2.692
92 HD2 LYS 13 2HD LYS 13 2.073 14.511 1.773
93 HD3 LYS 13 3HD LYS 13 3.248 13.198 1.669
94 HE2 LYS 13 2HE LYS 13 3.146 12.873 3.865
95 HE3 LYS 13 3HE LYS 13 3.538 14.565 4.172
96 HZ1 LYS 13 3HZ LYS 13 1.290 13.566 4.975
97 HZ2 LYS 13 1HZ LYS 13 0.800 13.861 3.382
98 HZ3 LYS 13 2HZ LYS 13 1.345 15.137 4.350
99 H GLY 14 H GLY 14 7.114 17.571 1.635
100 HA2 GLY 14 2HA GLY 14 8.322 18.858 3.276
101 HA3 GLY 14 3HA GLY 14 6.906 18.781 4.313
102 H ALA 15 H ALA 15 9.791 17.185 3.276
103 HA ALA 15 HA ALA 15 10.036 15.669 5.617
104 HB1 ALA 15 1HB ALA 15 9.667 13.631 3.570
105 HB2 ALA 15 2HB ALA 15 9.075 13.692 5.230
106 HB3 ALA 15 3HB ALA 15 8.186 14.512 3.947
107 H ARG 16 H ARG 16 12.090 14.934 5.832
108 HA ARG 16 HA ARG 16 14.005 15.686 3.862
109 HB2 ARG 16 2HB ARG 16 14.019 14.739 6.609
110 HB3 ARG 16 3HB ARG 16 15.300 13.997 5.660
111 HG2 ARG 16 2HG ARG 16 16.197 15.947 6.664
112 HG3 ARG 16 3HG ARG 16 15.986 16.293 4.947
113 HD2 ARG 16 2HD ARG 16 13.628 16.961 6.500
114 HD3 ARG 16 3HD ARG 16 15.061 17.817 7.068
115 HE ARG 16 HE ARG 16 15.087 18.100 4.340
116 HH11 ARG 16 1HH1 ARG 16 12.868 18.864 6.912
117 HH12 ARG 16 2HH1 ARG 16 12.193 20.236 6.098
118 HH21 ARG 16 1HH2 ARG 16 14.207 19.905 3.258
119 HH22 ARG 16 2HH2 ARG 16 12.954 20.827 4.019
120 H ASN 17 H ASN 17 12.800 12.562 5.043
121 HA ASN 17 HA ASN 17 13.616 11.351 2.512
122 HB2 ASN 17 2HB ASN 17 15.361 11.017 4.412
123 HB3 ASN 17 3HB ASN 17 14.186 9.882 5.070
124 HD21 ASN 17 1HD2 ASN 17 13.948 7.914 4.151
125 HD22 ASN 17 2HD2 ASN 17 14.899 7.346 2.825
126 H GLY 18 H GLY 18 12.759 9.005 2.425
127 HA2 GLY 18 2HA GLY 18 10.524 8.310 4.044
128 HA3 GLY 18 3HA GLY 18 9.993 9.034 2.533
129 H LYS 19 H LYS 19 9.698 6.282 3.596
130 HA LYS 19 HA LYS 19 10.459 4.908 1.164
131 HB2 LYS 19 2HB LYS 19 11.256 3.056 3.079
132 HB3 LYS 19 3HB LYS 19 12.307 3.968 2.003
133 HG2 LYS 19 2HG LYS 19 12.467 5.739 3.715
134 HG3 LYS 19 3HG LYS 19 11.496 4.739 4.799
135 HD2 LYS 19 2HD LYS 19 13.723 3.258 3.688
136 HD3 LYS 19 3HD LYS 19 14.264 4.710 4.534
137 HE2 LYS 19 2HE LYS 19 14.207 3.173 6.248
138 HE3 LYS 19 3HE LYS 19 12.610 3.907 6.382
139 HZ1 LYS 19 3HZ LYS 19 13.349 1.238 5.410
140 HZ2 LYS 19 1HZ LYS 19 11.956 1.973 4.793
141 HZ3 LYS 19 2HZ LYS 19 12.099 1.692 6.455
142 H CYS 20 H CYS 20 9.795 2.434 1.511
143 HA CYS 20 HA CYS 20 7.007 2.544 2.356
144 HB2 CYS 20 2HB CYS 20 8.572 0.977 0.431
145 HB3 CYS 20 3HB CYS 20 7.403 0.021 1.337
146 H ILE 21 H ILE 21 6.070 1.060 3.789
147 HA ILE 21 HA ILE 21 7.925 -0.560 5.390
148 HB ILE 21 HB ILE 21 7.429 1.633 6.529
149 HG12 ILE 21 2HG1 ILE 21 6.238 -0.463 8.260
150 HG13 ILE 21 3HG1 ILE 21 7.819 -0.816 7.572
151 HG21 ILE 21 1HG2 ILE 21 4.767 0.640 7.332
152 HG22 ILE 21 2HG2 ILE 21 5.341 2.290 7.095
153 HG23 ILE 21 3HG2 ILE 21 4.902 1.300 5.703
154 HD11 ILE 21 3HD1 ILE 21 7.099 1.558 9.273
155 HD12 ILE 21 1HD1 ILE 21 8.055 0.160 9.762
156 HD13 ILE 21 2HD1 ILE 21 8.677 1.270 8.541
157 H ASN 22 H ASN 22 6.865 -2.240 6.653
158 HA ASN 22 HA ASN 22 5.258 -3.923 5.290
159 HB2 ASN 22 2HB ASN 22 5.164 -3.495 8.285
160 HB3 ASN 22 3HB ASN 22 4.604 -4.935 7.440
161 HD21 ASN 22 1HD2 ASN 22 6.423 -5.220 9.395
162 HD22 ASN 22 2HD2 ASN 22 7.969 -5.623 8.737
163 H SER 23 H SER 23 3.970 -1.757 7.819
164 HA SER 23 HA SER 23 1.286 -2.197 7.416
165 HB2 SER 23 2HB SER 23 2.205 -0.841 9.266
166 HB3 SER 23 3HB SER 23 2.577 0.450 8.124
167 HG SER 23 HG SER 23 0.040 -0.522 8.910
168 H ASN 24 H ASN 24 3.403 0.069 5.711
169 HA ASN 24 HA ASN 24 2.145 -0.080 3.263
170 HB2 ASN 24 2HB ASN 24 0.704 1.600 5.154
171 HB3 ASN 24 3HB ASN 24 1.184 2.492 3.713
172 HD21 ASN 24 1HD2 ASN 24 -1.462 1.653 4.646
173 HD22 ASN 24 2HD2 ASN 24 -2.140 0.720 3.359
174 H CYS 25 H CYS 25 2.856 2.955 4.955
175 HA CYS 25 HA CYS 25 5.479 3.105 3.707
176 HB2 CYS 25 2HB CYS 25 3.332 4.244 2.401
177 HB3 CYS 25 3HB CYS 25 3.990 5.595 3.318
178 H HIS 26 H HIS 26 6.668 5.092 4.430
179 HA HIS 26 HA HIS 26 5.723 6.482 6.750
180 HB2 HIS 26 2HB HIS 26 7.344 5.622 8.344
181 HB3 HIS 26 3HB HIS 26 6.347 4.300 7.743
182 HD1 HIS 26 HD1 HIS 26 7.910 3.809 5.078
183 HD2 HIS 26 HD2 HIS 26 9.638 4.204 8.835
184 HE1 HIS 26 HE1 HIS 26 10.131 2.639 4.923
185 H CYS 27 H CYS 27 6.724 8.398 6.924
186 HA CYS 27 HA CYS 27 8.992 8.899 5.142
187 HB2 CYS 27 2HB CYS 27 7.397 10.963 6.658
188 HB3 CYS 27 3HB CYS 27 8.418 11.207 5.245
189 H TYR 28 H TYR 28 10.397 10.842 6.108
190 HA TYR 28 HA TYR 28 11.024 10.347 8.918
191 HB2 TYR 28 2HB TYR 28 12.945 9.947 6.627
192 HB3 TYR 28 3HB TYR 28 13.488 10.218 8.279
193 HD1 TYR 28 HD2 TYR 28 11.470 7.932 6.161
194 HD2 TYR 28 HD1 TYR 28 13.587 8.444 9.816
195 HE1 TYR 28 HE2 TYR 28 11.239 5.527 6.625
196 HE2 TYR 28 HE1 TYR 28 13.363 6.041 10.290
197 HH TYR 28 HH TYR 28 12.948 3.980 9.199
198 H TYR 29 H TYR 29 11.122 12.253 9.880
199 HA TYR 29 HA TYR 29 11.760 14.632 8.302
200 HB2 TYR 29 2HB TYR 29 10.778 14.564 11.154
201 HB3 TYR 29 3HB TYR 29 10.720 15.910 10.021
202 HD1 TYR 29 HD1 TYR 29 9.643 14.579 7.609
203 HD2 TYR 29 HD2 TYR 29 8.541 14.181 11.699
204 HE1 TYR 29 HE1 TYR 29 7.376 13.912 6.927
205 HE2 TYR 29 HE2 TYR 29 6.271 13.512 11.029
206 HH TYR 29 HH TYR 29 5.173 13.764 7.756
Start of MODEL 5
1 H1 ALA 1 H ALA 1 -0.627 1.307 -0.105
2 HA ALA 1 HA ALA 1 1.585 0.778 -0.586
3 HB1 ALA 1 1HB ALA 1 0.464 0.318 -3.330
4 HB2 ALA 1 2HB ALA 1 1.644 -0.645 -2.439
5 HB3 ALA 1 3HB ALA 1 -0.050 -0.649 -1.947
6 H CYS 2 H CYS 2 3.530 1.280 -1.683
7 HA CYS 2 HA CYS 2 3.955 3.945 -2.273
8 HB2 CYS 2 2HB CYS 2 5.561 1.611 -3.331
9 HB3 CYS 2 3HB CYS 2 6.121 3.271 -3.163
10 H VAL 3 H VAL 3 3.742 5.209 -4.020
11 HA VAL 3 HA VAL 3 2.964 3.921 -6.557
12 HB VAL 3 HB VAL 3 1.694 6.028 -7.047
13 HG11 VAL 3 1HG1 VAL 3 -0.249 5.295 -5.985
14 HG12 VAL 3 2HG1 VAL 3 0.753 3.844 -6.070
15 HG13 VAL 3 3HG1 VAL 3 0.627 4.743 -4.558
16 HG21 VAL 3 3HG2 VAL 3 2.329 6.571 -4.153
17 HG22 VAL 3 1HG2 VAL 3 2.708 7.577 -5.551
18 HG23 VAL 3 2HG2 VAL 3 1.033 7.379 -5.035
19 H GLU 4 H GLU 4 4.632 6.650 -5.054
20 HA GLU 4 HA GLU 4 6.356 6.817 -7.415
21 HB2 GLU 4 2HB GLU 4 6.245 9.252 -7.441
22 HB3 GLU 4 3HB GLU 4 4.647 8.562 -7.684
23 HG2 GLU 4 2HG GLU 4 4.183 8.945 -5.273
24 HG3 GLU 4 3HG GLU 4 5.729 9.783 -5.158
25 H ASN 5 H ASN 5 6.930 5.583 -4.981
26 HA ASN 5 HA ASN 5 8.611 5.440 -3.454
27 HB2 ASN 5 2HB ASN 5 9.816 7.993 -4.472
28 HB3 ASN 5 3HB ASN 5 10.622 6.548 -3.869
29 HD21 ASN 5 1HD2 ASN 5 10.722 8.168 -6.433
30 HD22 ASN 5 2HD2 ASN 5 10.598 6.977 -7.679
31 H CYS 6 H CYS 6 8.144 5.811 -1.399
32 HA CYS 6 HA CYS 6 6.632 7.899 -0.404
33 HB2 CYS 6 2HB CYS 6 8.288 5.762 0.726
34 HB3 CYS 6 3HB CYS 6 8.177 7.183 1.760
35 H ARG 7 H ARG 7 10.042 7.765 -1.058
36 HA ARG 7 HA ARG 7 10.969 9.850 0.544
37 HB2 ARG 7 2HB ARG 7 11.964 8.266 -1.607
38 HB3 ARG 7 3HB ARG 7 12.323 9.951 -1.961
39 HG2 ARG 7 2HG ARG 7 13.249 10.064 0.419
40 HG3 ARG 7 3HG ARG 7 13.204 8.301 0.378
41 HD2 ARG 7 2HD ARG 7 15.403 9.102 -0.259
42 HD3 ARG 7 3HD ARG 7 14.614 8.325 -1.631
43 HE ARG 7 HE ARG 7 14.007 10.964 -1.919
44 HH11 ARG 7 1HH1 ARG 7 16.962 9.158 -1.570
45 HH12 ARG 7 2HH1 ARG 7 17.907 10.273 -2.500
46 HH21 ARG 7 1HH2 ARG 7 15.240 12.440 -3.145
47 HH22 ARG 7 2HH2 ARG 7 16.926 12.140 -3.395
48 H LYS 8 H LYS 8 10.389 10.135 -2.962
49 HA LYS 8 HA LYS 8 10.217 12.969 -2.862
50 HB2 LYS 8 2HB LYS 8 10.658 11.183 -4.846
51 HB3 LYS 8 3HB LYS 8 8.968 11.566 -5.148
52 HG2 LYS 8 2HG LYS 8 9.416 13.762 -5.667
53 HG3 LYS 8 3HG LYS 8 10.928 13.779 -4.756
54 HD2 LYS 8 2HD LYS 8 10.974 11.843 -6.917
55 HD3 LYS 8 3HD LYS 8 10.654 13.479 -7.498
56 HE2 LYS 8 2HE LYS 8 12.704 14.247 -6.875
57 HE3 LYS 8 3HE LYS 8 12.819 13.147 -5.502
58 HZ1 LYS 8 3HZ LYS 8 12.889 11.987 -8.185
59 HZ2 LYS 8 1HZ LYS 8 13.685 11.497 -6.775
60 HZ3 LYS 8 2HZ LYS 8 14.264 12.819 -7.657
61 H TYR 9 H TYR 9 7.866 10.380 -2.730
62 HA TYR 9 HA TYR 9 5.540 11.831 -3.275
63 HB2 TYR 9 2HB TYR 9 5.344 9.477 -3.220
64 HB3 TYR 9 3HB TYR 9 6.062 9.371 -1.617
65 HD1 TYR 9 HD1 TYR 9 3.063 10.694 -3.391
66 HD2 TYR 9 HD2 TYR 9 4.687 9.223 0.256
67 HE1 TYR 9 HE1 TYR 9 0.814 10.702 -2.393
68 HE2 TYR 9 HE2 TYR 9 2.444 9.226 1.263
69 HH TYR 9 HH TYR 9 -0.281 9.250 -0.315
70 H CYS 10 H CYS 10 7.355 11.404 -0.284
71 HA CYS 10 HA CYS 10 5.427 13.001 1.207
72 HB2 CYS 10 2HB CYS 10 6.874 10.876 1.981
73 HB3 CYS 10 3HB CYS 10 7.989 12.156 2.450
74 H GLN 11 H GLN 11 8.736 13.184 0.009
75 HA GLN 11 HA GLN 11 9.541 15.534 1.273
76 HB2 GLN 11 2HB GLN 11 10.315 14.217 -1.309
77 HB3 GLN 11 3HB GLN 11 10.991 15.781 -0.874
78 HG2 GLN 11 2HG GLN 11 12.204 14.931 0.870
79 HG3 GLN 11 3HG GLN 11 11.113 13.567 1.107
80 HE21 GLN 11 1HE2 GLN 11 13.435 12.665 1.217
81 HE22 GLN 11 2HE2 GLN 11 14.040 12.005 -0.260
82 H ASP 12 H ASP 12 7.311 15.035 -1.304
83 HA ASP 12 HA ASP 12 7.424 17.722 -2.325
84 HB2 ASP 12 2HB ASP 12 6.701 15.619 -3.606
85 HB3 ASP 12 3HB ASP 12 5.168 15.771 -2.753
86 H LYS 13 H LYS 13 5.769 16.080 0.213
87 HA LYS 13 HA LYS 13 3.937 18.353 0.564
88 HB2 LYS 13 2HB LYS 13 2.783 16.777 2.194
89 HB3 LYS 13 3HB LYS 13 2.685 16.352 0.490
90 HG2 LYS 13 2HG LYS 13 4.494 14.731 0.795
91 HG3 LYS 13 3HG LYS 13 4.571 15.150 2.508
92 HD2 LYS 13 2HD LYS 13 1.895 14.428 1.534
93 HD3 LYS 13 3HD LYS 13 3.082 13.122 1.475
94 HE2 LYS 13 2HE LYS 13 2.479 12.797 3.616
95 HE3 LYS 13 3HE LYS 13 3.566 14.147 3.936
96 HZ1 LYS 13 3HZ LYS 13 0.729 14.640 3.308
97 HZ2 LYS 13 1HZ LYS 13 1.815 15.612 4.167
98 HZ3 LYS 13 2HZ LYS 13 1.190 14.211 4.878
99 H GLY 14 H GLY 14 6.900 17.471 1.523
100 HA2 GLY 14 2HA GLY 14 8.013 18.859 3.169
101 HA3 GLY 14 3HA GLY 14 6.557 18.771 4.149
102 H ALA 15 H ALA 15 9.509 17.205 3.248
103 HA ALA 15 HA ALA 15 9.698 15.750 5.634
104 HB1 ALA 15 1HB ALA 15 9.370 13.724 3.524
105 HB2 ALA 15 2HB ALA 15 8.906 13.681 5.226
106 HB3 ALA 15 3HB ALA 15 7.889 14.521 4.055
107 H ARG 16 H ARG 16 11.680 14.652 5.840
108 HA ARG 16 HA ARG 16 13.706 15.558 4.004
109 HB2 ARG 16 2HB ARG 16 13.812 13.933 6.544
110 HB3 ARG 16 3HB ARG 16 15.242 14.320 5.596
111 HG2 ARG 16 2HG ARG 16 13.383 16.308 6.883
112 HG3 ARG 16 3HG ARG 16 14.985 15.850 7.462
113 HD2 ARG 16 2HD ARG 16 15.248 16.595 4.747
114 HD3 ARG 16 3HD ARG 16 14.268 17.830 5.536
115 HE ARG 16 HE ARG 16 16.374 17.423 7.232
116 HH11 ARG 16 1HH1 ARG 16 16.024 18.306 3.882
117 HH12 ARG 16 2HH1 ARG 16 17.477 19.249 3.844
118 HH21 ARG 16 1HH2 ARG 16 18.289 18.662 7.194
119 HH22 ARG 16 2HH2 ARG 16 18.765 19.450 5.728
120 H ASN 17 H ASN 17 12.528 12.388 5.115
121 HA ASN 17 HA ASN 17 13.392 11.250 2.556
122 HB2 ASN 17 2HB ASN 17 14.996 10.851 4.619
123 HB3 ASN 17 3HB ASN 17 13.804 9.622 5.029
124 HD21 ASN 17 1HD2 ASN 17 13.626 7.800 3.780
125 HD22 ASN 17 2HD2 ASN 17 14.769 7.386 2.552
126 H GLY 18 H GLY 18 12.519 8.908 2.380
127 HA2 GLY 18 2HA GLY 18 10.158 8.272 3.869
128 HA3 GLY 18 3HA GLY 18 9.775 8.935 2.287
129 H LYS 19 H LYS 19 9.495 6.198 3.560
130 HA LYS 19 HA LYS 19 10.338 4.719 1.214
131 HB2 LYS 19 2HB LYS 19 11.096 3.020 3.315
132 HB3 LYS 19 3HB LYS 19 12.148 3.796 2.138
133 HG2 LYS 19 2HG LYS 19 12.342 5.743 3.636
134 HG3 LYS 19 3HG LYS 19 11.355 4.894 4.828
135 HD2 LYS 19 2HD LYS 19 13.924 3.778 3.721
136 HD3 LYS 19 3HD LYS 19 13.852 4.770 5.180
137 HE2 LYS 19 2HE LYS 19 12.747 3.150 6.386
138 HE3 LYS 19 3HE LYS 19 12.064 2.395 4.948
139 HZ1 LYS 19 3HZ LYS 19 14.792 2.127 4.701
140 HZ2 LYS 19 1HZ LYS 19 13.684 0.911 5.098
141 HZ3 LYS 19 2HZ LYS 19 14.468 1.775 6.323
142 H CYS 20 H CYS 20 9.658 2.297 1.556
143 HA CYS 20 HA CYS 20 6.871 2.382 2.398
144 HB2 CYS 20 2HB CYS 20 8.426 0.891 0.445
145 HB3 CYS 20 3HB CYS 20 7.402 -0.168 1.409
146 H ILE 21 H ILE 21 5.965 1.051 3.939
147 HA ILE 21 HA ILE 21 7.810 -0.601 5.525
148 HB ILE 21 HB ILE 21 7.355 1.616 6.627
149 HG12 ILE 21 2HG1 ILE 21 6.144 -0.436 8.401
150 HG13 ILE 21 3HG1 ILE 21 7.722 -0.812 7.717
151 HG21 ILE 21 1HG2 ILE 21 4.814 1.299 5.825
152 HG22 ILE 21 2HG2 ILE 21 4.686 0.686 7.473
153 HG23 ILE 21 3HG2 ILE 21 5.281 2.320 7.185
154 HD11 ILE 21 3HD1 ILE 21 7.946 0.202 9.900
155 HD12 ILE 21 1HD1 ILE 21 8.610 1.263 8.658
156 HD13 ILE 21 2HD1 ILE 21 7.030 1.610 9.362
157 H ASN 22 H ASN 22 6.748 -2.247 6.828
158 HA ASN 22 HA ASN 22 5.109 -3.938 5.516
159 HB2 ASN 22 2HB ASN 22 5.048 -3.450 8.503
160 HB3 ASN 22 3HB ASN 22 4.466 -4.900 7.691
161 HD21 ASN 22 1HD2 ASN 22 6.630 -4.393 9.688
162 HD22 ASN 22 2HD2 ASN 22 8.038 -5.123 9.002
163 H SER 23 H SER 23 3.868 -1.712 8.017
164 HA SER 23 HA SER 23 1.176 -2.130 7.645
165 HB2 SER 23 2HB SER 23 2.164 -0.742 9.456
166 HB3 SER 23 3HB SER 23 2.472 0.533 8.278
167 HG SER 23 HG SER 23 0.405 1.023 8.247
168 H ASN 24 H ASN 24 3.299 0.089 5.886
169 HA ASN 24 HA ASN 24 2.024 -0.091 3.450
170 HB2 ASN 24 2HB ASN 24 0.604 1.628 5.323
171 HB3 ASN 24 3HB ASN 24 1.080 2.494 3.866
172 HD21 ASN 24 1HD2 ASN 24 0.788 0.879 1.856
173 HD22 ASN 24 2HD2 ASN 24 -0.815 0.244 1.738
174 H CYS 25 H CYS 25 2.762 2.968 5.089
175 HA CYS 25 HA CYS 25 5.382 3.082 3.831
176 HB2 CYS 25 2HB CYS 25 3.208 4.228 2.534
177 HB3 CYS 25 3HB CYS 25 3.955 5.581 3.377
178 H HIS 26 H HIS 26 6.602 5.040 4.528
179 HA HIS 26 HA HIS 26 5.647 6.467 6.838
180 HB2 HIS 26 2HB HIS 26 7.324 5.665 8.400
181 HB3 HIS 26 3HB HIS 26 6.361 4.307 7.825
182 HD1 HIS 26 HD1 HIS 26 7.805 3.671 5.206
183 HD2 HIS 26 HD2 HIS 26 9.756 4.516 8.775
184 HE1 HIS 26 HE1 HIS 26 10.082 2.625 4.992
185 H CYS 27 H CYS 27 6.645 8.394 7.042
186 HA CYS 27 HA CYS 27 8.881 8.928 5.214
187 HB2 CYS 27 2HB CYS 27 7.167 10.985 6.606
188 HB3 CYS 27 3HB CYS 27 8.213 11.215 5.208
189 H TYR 28 H TYR 28 10.284 10.854 6.066
190 HA TYR 28 HA TYR 28 10.856 10.509 8.923
191 HB2 TYR 28 2HB TYR 28 12.839 10.232 6.663
192 HB3 TYR 28 3HB TYR 28 13.318 10.492 8.337
193 HD1 TYR 28 HD1 TYR 28 11.306 8.180 6.211
194 HD2 TYR 28 HD2 TYR 28 13.644 8.663 9.733
195 HE1 TYR 28 HE1 TYR 28 11.190 5.756 6.613
196 HE2 TYR 28 HE2 TYR 28 13.536 6.240 10.144
197 HH TYR 28 HH TYR 28 12.949 4.252 9.288
198 H TYR 29 H TYR 29 11.031 12.401 9.914
199 HA TYR 29 HA TYR 29 11.571 14.791 8.285
200 HB2 TYR 29 2HB TYR 29 10.308 14.759 11.024
201 HB3 TYR 29 3HB TYR 29 10.305 16.066 9.845
202 HD1 TYR 29 HD2 TYR 29 9.537 14.603 7.387
203 HD2 TYR 29 HD1 TYR 29 8.044 14.297 11.359
204 HE1 TYR 29 HE2 TYR 29 7.380 13.812 6.509
205 HE2 TYR 29 HE1 TYR 29 5.883 13.504 10.492
206 HH TYR 29 HH TYR 29 5.000 12.410 8.473
Start of MODEL 6
1 H1 ALA 1 H ALA 1 -0.830 1.733 0.222
2 HA ALA 1 HA ALA 1 1.522 0.870 -0.434
3 HB1 ALA 1 1HB ALA 1 -0.344 -0.118 -1.514
4 HB2 ALA 1 2HB ALA 1 -0.668 1.347 -2.441
5 HB3 ALA 1 3HB ALA 1 0.770 0.386 -2.785
6 H CYS 2 H CYS 2 3.243 1.222 -1.881
7 HA CYS 2 HA CYS 2 3.959 3.958 -2.217
8 HB2 CYS 2 2HB CYS 2 5.312 1.548 -3.440
9 HB3 CYS 2 3HB CYS 2 6.025 3.129 -3.137
10 H VAL 3 H VAL 3 3.615 5.276 -3.880
11 HA VAL 3 HA VAL 3 2.721 4.096 -6.431
12 HB VAL 3 HB VAL 3 1.518 6.273 -6.804
13 HG11 VAL 3 1HG1 VAL 3 -0.257 5.088 -6.199
14 HG12 VAL 3 2HG1 VAL 3 0.782 4.022 -5.252
15 HG13 VAL 3 3HG1 VAL 3 0.062 5.448 -4.503
16 HG21 VAL 3 3HG2 VAL 3 0.969 7.563 -4.725
17 HG22 VAL 3 1HG2 VAL 3 2.243 6.660 -3.905
18 HG23 VAL 3 2HG2 VAL 3 2.641 7.711 -5.265
19 H GLU 4 H GLU 4 4.522 6.738 -4.918
20 HA GLU 4 HA GLU 4 6.184 6.900 -7.322
21 HB2 GLU 4 2HB GLU 4 6.130 9.334 -7.322
22 HB3 GLU 4 3HB GLU 4 4.507 8.689 -7.521
23 HG2 GLU 4 2HG GLU 4 4.127 9.060 -5.094
24 HG3 GLU 4 3HG GLU 4 5.700 9.851 -5.017
25 H ASN 5 H ASN 5 6.774 5.628 -4.902
26 HA ASN 5 HA ASN 5 8.489 5.424 -3.421
27 HB2 ASN 5 2HB ASN 5 9.737 7.950 -4.455
28 HB3 ASN 5 3HB ASN 5 10.520 6.484 -3.873
29 HD21 ASN 5 1HD2 ASN 5 10.500 8.143 -6.457
30 HD22 ASN 5 2HD2 ASN 5 10.359 6.945 -7.693
31 H CYS 6 H CYS 6 8.151 5.801 -1.342
32 HA CYS 6 HA CYS 6 6.685 7.884 -0.276
33 HB2 CYS 6 2HB CYS 6 8.309 5.708 0.748
34 HB3 CYS 6 3HB CYS 6 8.435 7.137 1.769
35 H ARG 7 H ARG 7 10.060 7.766 -1.095
36 HA ARG 7 HA ARG 7 11.040 9.871 0.455
37 HB2 ARG 7 2HB ARG 7 11.947 8.285 -1.753
38 HB3 ARG 7 3HB ARG 7 12.330 9.973 -2.064
39 HG2 ARG 7 2HG ARG 7 13.222 9.899 0.400
40 HG3 ARG 7 3HG ARG 7 13.318 8.166 0.081
41 HD2 ARG 7 2HD ARG 7 14.563 10.312 -1.634
42 HD3 ARG 7 3HD ARG 7 15.423 9.373 -0.415
43 HE ARG 7 HE ARG 7 14.767 8.544 -3.055
44 HH11 ARG 7 1HH1 ARG 7 15.145 7.391 0.208
45 HH12 ARG 7 2HH1 ARG 7 15.544 5.775 -0.271
46 HH21 ARG 7 1HH2 ARG 7 15.292 6.420 -3.698
47 HH22 ARG 7 2HH2 ARG 7 15.628 5.223 -2.493
48 H LYS 8 H LYS 8 10.409 10.136 -3.039
49 HA LYS 8 HA LYS 8 10.208 12.957 -2.970
50 HB2 LYS 8 2HB LYS 8 10.583 11.154 -4.944
51 HB3 LYS 8 3HB LYS 8 8.876 11.506 -5.183
52 HG2 LYS 8 2HG LYS 8 9.376 13.392 -6.221
53 HG3 LYS 8 3HG LYS 8 10.292 13.958 -4.821
54 HD2 LYS 8 2HD LYS 8 12.293 13.282 -5.686
55 HD3 LYS 8 3HD LYS 8 11.575 11.943 -6.585
56 HE2 LYS 8 2HE LYS 8 11.072 13.244 -8.387
57 HE3 LYS 8 3HE LYS 8 10.840 14.694 -7.412
58 HZ1 LYS 8 3HZ LYS 8 12.840 15.313 -8.105
59 HZ2 LYS 8 1HZ LYS 8 13.168 13.800 -8.786
60 HZ3 LYS 8 2HZ LYS 8 13.499 14.081 -7.152
61 H TYR 9 H TYR 9 7.885 10.384 -2.611
62 HA TYR 9 HA TYR 9 5.528 11.820 -3.122
63 HB2 TYR 9 2HB TYR 9 5.335 9.469 -3.007
64 HB3 TYR 9 3HB TYR 9 6.123 9.398 -1.434
65 HD1 TYR 9 HD1 TYR 9 3.044 10.660 -3.110
66 HD2 TYR 9 HD2 TYR 9 4.837 9.317 0.507
67 HE1 TYR 9 HE1 TYR 9 0.842 10.691 -2.013
68 HE2 TYR 9 HE2 TYR 9 2.640 9.343 1.613
69 HH TYR 9 HH TYR 9 0.464 10.426 1.356
70 H CYS 10 H CYS 10 7.447 11.429 -0.187
71 HA CYS 10 HA CYS 10 5.593 13.068 1.345
72 HB2 CYS 10 2HB CYS 10 7.122 10.964 2.080
73 HB3 CYS 10 3HB CYS 10 8.195 12.288 2.523
74 H GLN 11 H GLN 11 8.852 13.228 0.012
75 HA GLN 11 HA GLN 11 9.701 15.608 1.187
76 HB2 GLN 11 2HB GLN 11 10.360 14.312 -1.449
77 HB3 GLN 11 3HB GLN 11 11.115 15.817 -0.943
78 HG2 GLN 11 2HG GLN 11 12.359 14.818 0.676
79 HG3 GLN 11 3HG GLN 11 11.174 13.543 0.955
80 HE21 GLN 11 1HE2 GLN 11 13.542 12.584 0.915
81 HE22 GLN 11 2HE2 GLN 11 13.970 11.848 -0.587
82 H ASP 12 H ASP 12 7.386 15.045 -1.308
83 HA ASP 12 HA ASP 12 7.444 17.721 -2.367
84 HB2 ASP 12 2HB ASP 12 6.669 15.502 -3.520
85 HB3 ASP 12 3HB ASP 12 5.131 15.850 -2.737
86 H LYS 13 H LYS 13 5.958 16.139 0.283
87 HA LYS 13 HA LYS 13 4.120 18.411 0.660
88 HB2 LYS 13 2HB LYS 13 2.994 16.781 2.311
89 HB3 LYS 13 3HB LYS 13 2.765 16.508 0.589
90 HG2 LYS 13 2HG LYS 13 4.575 14.820 0.662
91 HG3 LYS 13 3HG LYS 13 4.664 15.044 2.411
92 HD2 LYS 13 2HD LYS 13 3.306 13.102 1.879
93 HD3 LYS 13 3HD LYS 13 2.306 14.366 2.599
94 HE2 LYS 13 2HE LYS 13 2.507 14.438 -0.335
95 HE3 LYS 13 3HE LYS 13 1.685 13.026 0.327
96 HZ1 LYS 13 3HZ LYS 13 0.987 15.784 1.144
97 HZ2 LYS 13 1HZ LYS 13 0.088 14.368 1.366
98 HZ3 LYS 13 2HZ LYS 13 0.260 15.026 -0.183
99 H GLY 14 H GLY 14 7.078 17.586 1.514
100 HA2 GLY 14 2HA GLY 14 8.214 18.879 3.202
101 HA3 GLY 14 3HA GLY 14 6.779 18.746 4.206
102 H ALA 15 H ALA 15 9.719 17.230 3.188
103 HA ALA 15 HA ALA 15 9.976 15.696 5.514
104 HB1 ALA 15 1HB ALA 15 9.605 13.711 3.386
105 HB2 ALA 15 2HB ALA 15 9.128 13.663 5.083
106 HB3 ALA 15 3HB ALA 15 8.128 14.519 3.910
107 H ARG 16 H ARG 16 12.042 14.999 5.734
108 HA ARG 16 HA ARG 16 13.944 15.781 3.753
109 HB2 ARG 16 2HB ARG 16 13.973 14.981 6.523
110 HB3 ARG 16 3HB ARG 16 15.226 14.127 5.633
111 HG2 ARG 16 2HG ARG 16 16.451 15.946 6.071
112 HG3 ARG 16 3HG ARG 16 15.573 16.648 4.710
113 HD2 ARG 16 2HD ARG 16 13.821 17.176 6.651
114 HD3 ARG 16 3HD ARG 16 15.294 17.140 7.619
115 HE ARG 16 HE ARG 16 15.911 18.744 5.501
116 HH11 ARG 16 1HH1 ARG 16 13.415 18.727 7.927
117 HH12 ARG 16 2HH1 ARG 16 13.233 20.450 7.939
118 HH21 ARG 16 1HH2 ARG 16 15.682 21.013 5.507
119 HH22 ARG 16 2HH2 ARG 16 14.522 21.750 6.561
120 H ASN 17 H ASN 17 12.746 12.672 4.957
121 HA ASN 17 HA ASN 17 13.617 11.420 2.471
122 HB2 ASN 17 2HB ASN 17 15.350 11.182 4.435
123 HB3 ASN 17 3HB ASN 17 14.219 9.963 5.017
124 HD21 ASN 17 1HD2 ASN 17 14.056 8.033 3.973
125 HD22 ASN 17 2HD2 ASN 17 15.102 7.555 2.684
126 H GLY 18 H GLY 18 12.835 9.032 2.472
127 HA2 GLY 18 2HA GLY 18 10.629 8.314 4.107
128 HA3 GLY 18 3HA GLY 18 10.062 9.001 2.592
129 H LYS 19 H LYS 19 9.771 6.280 3.631
130 HA LYS 19 HA LYS 19 10.577 4.887 1.235
131 HB2 LYS 19 2HB LYS 19 11.418 3.071 3.164
132 HB3 LYS 19 3HB LYS 19 12.447 3.994 2.077
133 HG2 LYS 19 2HG LYS 19 12.639 5.760 3.752
134 HG3 LYS 19 3HG LYS 19 11.605 4.835 4.844
135 HD2 LYS 19 2HD LYS 19 14.182 3.755 3.723
136 HD3 LYS 19 3HD LYS 19 14.099 4.651 5.242
137 HE2 LYS 19 2HE LYS 19 12.886 2.988 6.303
138 HE3 LYS 19 3HE LYS 19 12.299 2.307 4.787
139 HZ1 LYS 19 3HZ LYS 19 13.983 0.892 4.776
140 HZ2 LYS 19 1HZ LYS 19 14.478 1.471 6.287
141 HZ3 LYS 19 2HZ LYS 19 15.113 2.148 4.873
142 H CYS 20 H CYS 20 9.934 2.427 1.557
143 HA CYS 20 HA CYS 20 7.160 2.486 2.439
144 HB2 CYS 20 2HB CYS 20 8.745 0.916 0.522
145 HB3 CYS 20 3HB CYS 20 7.559 -0.024 1.422
146 H ILE 21 H ILE 21 6.261 1.019 3.901
147 HA ILE 21 HA ILE 21 8.149 -0.586 5.480
148 HB ILE 21 HB ILE 21 7.660 1.604 6.621
149 HG12 ILE 21 2HG1 ILE 21 6.485 -0.493 8.365
150 HG13 ILE 21 3HG1 ILE 21 8.064 -0.838 7.669
151 HG21 ILE 21 1HG2 ILE 21 5.013 0.630 7.474
152 HG22 ILE 21 2HG2 ILE 21 5.579 2.273 7.176
153 HG23 ILE 21 3HG2 ILE 21 5.116 1.241 5.823
154 HD11 ILE 21 3HD1 ILE 21 7.287 1.093 9.744
155 HD12 ILE 21 1HD1 ILE 21 8.785 0.188 9.531
156 HD13 ILE 21 2HD1 ILE 21 8.494 1.648 8.584
157 H ASN 22 H ASN 22 7.125 -2.274 6.754
158 HA ASN 22 HA ASN 22 5.502 -3.965 5.417
159 HB2 ASN 22 2HB ASN 22 6.441 -3.751 8.089
160 HB3 ASN 22 3HB ASN 22 4.728 -4.154 8.166
161 HD21 ASN 22 1HD2 ASN 22 4.162 -5.856 6.359
162 HD22 ASN 22 2HD2 ASN 22 5.184 -7.249 6.366
163 H SER 23 H SER 23 4.258 -1.819 7.985
164 HA SER 23 HA SER 23 1.569 -2.276 7.644
165 HB2 SER 23 2HB SER 23 3.141 -0.454 9.086
166 HB3 SER 23 3HB SER 23 2.026 0.538 8.148
167 HG SER 23 HG SER 23 1.222 -0.167 10.232
168 H ASN 24 H ASN 24 3.632 -0.004 5.885
169 HA ASN 24 HA ASN 24 2.316 -0.155 3.471
170 HB2 ASN 24 2HB ASN 24 0.902 1.506 5.397
171 HB3 ASN 24 3HB ASN 24 1.346 2.411 3.953
172 HD21 ASN 24 1HD2 ASN 24 -1.010 2.504 3.718
173 HD22 ASN 24 2HD2 ASN 24 -1.808 1.203 2.909
174 H CYS 25 H CYS 25 3.032 2.891 5.141
175 HA CYS 25 HA CYS 25 5.634 3.061 3.854
176 HB2 CYS 25 2HB CYS 25 3.479 4.137 2.534
177 HB3 CYS 25 3HB CYS 25 4.077 5.516 3.450
178 H HIS 26 H HIS 26 6.837 5.020 4.563
179 HA HIS 26 HA HIS 26 5.886 6.441 6.872
180 HB2 HIS 26 2HB HIS 26 7.537 5.623 8.452
181 HB3 HIS 26 3HB HIS 26 6.569 4.273 7.867
182 HD1 HIS 26 HD1 HIS 26 8.091 3.749 5.211
183 HD2 HIS 26 HD2 HIS 26 9.900 4.328 8.906
184 HE1 HIS 26 HE1 HIS 26 10.347 2.651 5.035
185 H CYS 27 H CYS 27 6.824 8.388 6.965
186 HA CYS 27 HA CYS 27 9.073 8.903 5.166
187 HB2 CYS 27 2HB CYS 27 7.442 10.957 6.658
188 HB3 CYS 27 3HB CYS 27 8.449 11.200 5.234
189 H TYR 28 H TYR 28 10.438 10.900 6.086
190 HA TYR 28 HA TYR 28 11.103 10.462 8.898
191 HB2 TYR 28 2HB TYR 28 13.012 10.087 6.592
192 HB3 TYR 28 3HB TYR 28 13.563 10.395 8.235
193 HD1 TYR 28 HD1 TYR 28 11.581 8.027 6.173
194 HD2 TYR 28 HD2 TYR 28 13.735 8.643 9.789
195 HE1 TYR 28 HE1 TYR 28 11.424 5.623 6.669
196 HE2 TYR 28 HE2 TYR 28 13.585 6.241 10.295
197 HH TYR 28 HH TYR 28 13.290 4.086 8.927
198 H TYR 29 H TYR 29 11.180 12.378 9.843
199 HA TYR 29 HA TYR 29 11.743 14.753 8.225
200 HB2 TYR 29 2HB TYR 29 10.746 14.702 11.072
201 HB3 TYR 29 3HB TYR 29 10.661 16.030 9.919
202 HD1 TYR 29 HD2 TYR 29 9.633 14.632 7.522
203 HD2 TYR 29 HD1 TYR 29 8.517 14.270 11.612
204 HE1 TYR 29 HE2 TYR 29 7.387 13.898 6.839
205 HE2 TYR 29 HE1 TYR 29 6.269 13.534 10.940
206 HH TYR 29 HH TYR 29 5.256 13.561 7.575
Start of MODEL 7
1 H1 ALA 1 H ALA 1 0.350 1.715 -0.799
2 HA ALA 1 HA ALA 1 2.695 0.181 -0.675
3 HB1 ALA 1 1HB ALA 1 1.586 -1.336 -2.197
4 HB2 ALA 1 2HB ALA 1 1.234 -0.010 -3.306
5 HB3 ALA 1 3HB ALA 1 2.903 -0.510 -3.031
6 H CYS 2 H CYS 2 4.265 0.976 -2.577
7 HA CYS 2 HA CYS 2 4.188 3.880 -2.404
8 HB2 CYS 2 2HB CYS 2 6.369 2.166 -3.599
9 HB3 CYS 2 3HB CYS 2 6.494 3.833 -3.047
10 H VAL 3 H VAL 3 3.109 4.927 -3.938
11 HA VAL 3 HA VAL 3 2.767 3.806 -6.580
12 HB VAL 3 HB VAL 3 1.422 5.822 -7.037
13 HG11 VAL 3 1HG1 VAL 3 0.466 3.794 -5.940
14 HG12 VAL 3 2HG1 VAL 3 0.681 4.599 -4.385
15 HG13 VAL 3 3HG1 VAL 3 -0.406 5.286 -5.592
16 HG21 VAL 3 3HG2 VAL 3 2.057 7.660 -5.914
17 HG22 VAL 3 1HG2 VAL 3 1.001 7.049 -4.641
18 HG23 VAL 3 2HG2 VAL 3 2.735 6.729 -4.578
19 H GLU 4 H GLU 4 4.594 6.394 -5.060
20 HA GLU 4 HA GLU 4 6.235 6.605 -7.457
21 HB2 GLU 4 2HB GLU 4 6.109 9.032 -7.535
22 HB3 GLU 4 3HB GLU 4 4.507 8.337 -7.735
23 HG2 GLU 4 2HG GLU 4 4.101 8.764 -5.312
24 HG3 GLU 4 3HG GLU 4 5.637 9.627 -5.266
25 H ASN 5 H ASN 5 6.806 5.423 -4.983
26 HA ASN 5 HA ASN 5 8.490 5.313 -3.457
27 HB2 ASN 5 2HB ASN 5 9.712 7.825 -4.552
28 HB3 ASN 5 3HB ASN 5 10.508 6.389 -3.915
29 HD21 ASN 5 1HD2 ASN 5 10.630 7.931 -6.516
30 HD22 ASN 5 2HD2 ASN 5 10.482 6.712 -7.731
31 H CYS 6 H CYS 6 8.016 5.745 -1.416
32 HA CYS 6 HA CYS 6 6.526 7.867 -0.474
33 HB2 CYS 6 2HB CYS 6 8.099 5.719 0.684
34 HB3 CYS 6 3HB CYS 6 8.180 7.177 1.667
35 H ARG 7 H ARG 7 9.944 7.697 -1.114
36 HA ARG 7 HA ARG 7 10.880 9.832 0.403
37 HB2 ARG 7 2HB ARG 7 11.859 8.183 -1.701
38 HB3 ARG 7 3HB ARG 7 12.208 9.855 -2.122
39 HG2 ARG 7 2HG ARG 7 13.081 9.977 0.341
40 HG3 ARG 7 3HG ARG 7 13.204 8.226 0.161
41 HD2 ARG 7 2HD ARG 7 14.290 9.860 -2.048
42 HD3 ARG 7 3HD ARG 7 15.166 9.928 -0.520
43 HE ARG 7 HE ARG 7 14.560 7.256 -1.384
44 HH11 ARG 7 1HH1 ARG 7 16.810 9.902 -1.624
45 HH12 ARG 7 2HH1 ARG 7 18.148 8.895 -2.069
46 HH21 ARG 7 1HH2 ARG 7 16.314 5.920 -1.969
47 HH22 ARG 7 2HH2 ARG 7 17.865 6.630 -2.266
48 H LYS 8 H LYS 8 10.291 10.026 -3.107
49 HA LYS 8 HA LYS 8 10.137 12.852 -3.108
50 HB2 LYS 8 2HB LYS 8 10.514 11.017 -5.036
51 HB3 LYS 8 3HB LYS 8 8.804 11.342 -5.287
52 HG2 LYS 8 2HG LYS 8 9.446 13.049 -6.551
53 HG3 LYS 8 3HG LYS 8 9.913 13.858 -5.053
54 HD2 LYS 8 2HD LYS 8 12.143 13.413 -5.349
55 HD3 LYS 8 3HD LYS 8 11.837 11.956 -6.296
56 HE2 LYS 8 2HE LYS 8 11.388 13.177 -8.241
57 HE3 LYS 8 3HE LYS 8 11.139 14.677 -7.348
58 HZ1 LYS 8 3HZ LYS 8 13.376 14.135 -8.638
59 HZ2 LYS 8 1HZ LYS 8 13.774 13.454 -7.141
60 HZ3 LYS 8 2HZ LYS 8 13.343 15.086 -7.239
61 H TYR 9 H TYR 9 7.741 10.311 -2.831
62 HA TYR 9 HA TYR 9 5.430 11.800 -3.339
63 HB2 TYR 9 2HB TYR 9 5.175 9.458 -3.229
64 HB3 TYR 9 3HB TYR 9 5.956 9.360 -1.655
65 HD1 TYR 9 HD2 TYR 9 2.908 10.684 -3.336
66 HD2 TYR 9 HD1 TYR 9 4.667 9.312 0.288
67 HE1 TYR 9 HE2 TYR 9 0.705 10.760 -2.244
68 HE2 TYR 9 HE1 TYR 9 2.469 9.383 1.389
69 HH TYR 9 HH TYR 9 -0.427 10.472 -0.360
70 H CYS 10 H CYS 10 7.343 11.422 -0.408
71 HA CYS 10 HA CYS 10 5.485 13.055 1.127
72 HB2 CYS 10 2HB CYS 10 6.954 10.959 1.897
73 HB3 CYS 10 3HB CYS 10 8.118 12.234 2.246
74 H GLN 11 H GLN 11 8.698 13.242 -0.290
75 HA GLN 11 HA GLN 11 9.591 15.603 0.890
76 HB2 GLN 11 2HB GLN 11 10.149 14.319 -1.771
77 HB3 GLN 11 3HB GLN 11 10.893 15.849 -1.325
78 HG2 GLN 11 2HG GLN 11 12.206 14.903 0.291
79 HG3 GLN 11 3HG GLN 11 11.094 13.562 0.564
80 HE21 GLN 11 1HE2 GLN 11 12.970 12.207 0.461
81 HE22 GLN 11 2HE2 GLN 11 13.610 11.730 -1.072
82 H ASP 12 H ASP 12 7.150 15.083 -1.478
83 HA ASP 12 HA ASP 12 7.171 17.766 -2.522
84 HB2 ASP 12 2HB ASP 12 6.245 15.459 -3.533
85 HB3 ASP 12 3HB ASP 12 4.754 16.065 -2.816
86 H LYS 13 H LYS 13 5.773 16.145 0.167
87 HA LYS 13 HA LYS 13 3.957 18.409 0.653
88 HB2 LYS 13 2HB LYS 13 2.956 16.809 2.385
89 HB3 LYS 13 3HB LYS 13 2.674 16.440 0.688
90 HG2 LYS 13 2HG LYS 13 4.494 14.797 0.755
91 HG3 LYS 13 3HG LYS 13 4.734 15.151 2.468
92 HD2 LYS 13 2HD LYS 13 1.984 14.446 1.640
93 HD3 LYS 13 3HD LYS 13 3.180 13.150 1.575
94 HE2 LYS 13 2HE LYS 13 3.105 12.913 3.783
95 HE3 LYS 13 3HE LYS 13 3.480 14.619 4.016
96 HZ1 LYS 13 3HZ LYS 13 1.420 14.918 4.724
97 HZ2 LYS 13 1HZ LYS 13 1.041 13.294 4.438
98 HZ3 LYS 13 2HZ LYS 13 0.816 14.442 3.217
99 H GLY 14 H GLY 14 6.985 17.555 1.361
100 HA2 GLY 14 2HA GLY 14 8.235 18.905 2.922
101 HA3 GLY 14 3HA GLY 14 6.853 18.847 4.006
102 H ALA 15 H ALA 15 9.699 17.216 2.892
103 HA ALA 15 HA ALA 15 10.052 15.783 5.273
104 HB1 ALA 15 1HB ALA 15 8.247 14.373 4.678
105 HB2 ALA 15 2HB ALA 15 8.826 14.211 3.020
106 HB3 ALA 15 3HB ALA 15 9.719 13.461 4.343
107 H ARG 16 H ARG 16 12.117 15.072 5.422
108 HA ARG 16 HA ARG 16 13.939 15.749 3.344
109 HB2 ARG 16 2HB ARG 16 14.101 14.724 6.101
110 HB3 ARG 16 3HB ARG 16 15.418 14.223 5.050
111 HG2 ARG 16 2HG ARG 16 16.360 16.148 5.678
112 HG3 ARG 16 3HG ARG 16 15.276 16.875 4.491
113 HD2 ARG 16 2HD ARG 16 13.893 17.738 6.079
114 HD3 ARG 16 3HD ARG 16 14.195 16.420 7.211
115 HE ARG 16 HE ARG 16 16.498 18.059 6.858
116 HH11 ARG 16 1HH1 ARG 16 13.421 17.878 8.475
117 HH12 ARG 16 2HH1 ARG 16 13.900 18.908 9.783
118 HH21 ARG 16 1HH2 ARG 16 17.142 19.416 8.574
119 HH22 ARG 16 2HH2 ARG 16 16.017 19.783 9.838
120 H ASN 17 H ASN 17 12.782 12.668 4.673
121 HA ASN 17 HA ASN 17 13.492 11.375 2.151
122 HB2 ASN 17 2HB ASN 17 15.313 11.096 3.988
123 HB3 ASN 17 3HB ASN 17 14.164 9.985 4.728
124 HD21 ASN 17 1HD2 ASN 17 13.882 7.991 3.879
125 HD22 ASN 17 2HD2 ASN 17 14.779 7.378 2.535
126 H GLY 18 H GLY 18 12.628 9.029 2.174
127 HA2 GLY 18 2HA GLY 18 10.463 8.390 3.905
128 HA3 GLY 18 3HA GLY 18 9.868 9.072 2.398
129 H LYS 19 H LYS 19 9.594 6.357 3.535
130 HA LYS 19 HA LYS 19 10.261 4.912 1.119
131 HB2 LYS 19 2HB LYS 19 11.119 3.104 3.043
132 HB3 LYS 19 3HB LYS 19 12.137 3.991 1.917
133 HG2 LYS 19 2HG LYS 19 12.359 5.793 3.587
134 HG3 LYS 19 3HG LYS 19 11.416 4.822 4.720
135 HD2 LYS 19 2HD LYS 19 13.608 3.315 3.566
136 HD3 LYS 19 3HD LYS 19 14.172 4.773 4.385
137 HE2 LYS 19 2HE LYS 19 14.155 3.243 6.110
138 HE3 LYS 19 3HE LYS 19 12.570 3.997 6.284
139 HZ1 LYS 19 3HZ LYS 19 13.254 1.309 5.329
140 HZ2 LYS 19 1HZ LYS 19 11.861 2.052 4.722
141 HZ3 LYS 19 2HZ LYS 19 12.025 1.796 6.385
142 H CYS 20 H CYS 20 9.590 2.457 1.547
143 HA CYS 20 HA CYS 20 6.838 2.608 2.497
144 HB2 CYS 20 2HB CYS 20 8.345 0.899 0.611
145 HB3 CYS 20 3HB CYS 20 7.077 0.089 1.525
146 H ILE 21 H ILE 21 5.948 1.171 4.004
147 HA ILE 21 HA ILE 21 7.853 -0.423 5.572
148 HB ILE 21 HB ILE 21 7.406 1.802 6.672
149 HG12 ILE 21 2HG1 ILE 21 6.281 -0.243 8.505
150 HG13 ILE 21 3HG1 ILE 21 7.830 -0.625 7.760
151 HG21 ILE 21 1HG2 ILE 21 4.776 0.830 7.601
152 HG22 ILE 21 2HG2 ILE 21 5.341 2.473 7.308
153 HG23 ILE 21 3HG2 ILE 21 4.849 1.457 5.954
154 HD11 ILE 21 3HD1 ILE 21 8.061 2.006 8.665
155 HD12 ILE 21 1HD1 ILE 21 7.243 1.121 9.953
156 HD13 ILE 21 2HD1 ILE 21 8.803 0.559 9.350
157 H ASN 22 H ASN 22 6.832 -2.065 6.917
158 HA ASN 22 HA ASN 22 5.170 -3.774 5.655
159 HB2 ASN 22 2HB ASN 22 6.251 -3.615 8.209
160 HB3 ASN 22 3HB ASN 22 4.516 -3.721 8.496
161 HD21 ASN 22 1HD2 ASN 22 6.720 -5.155 6.112
162 HD22 ASN 22 2HD2 ASN 22 6.243 -6.790 6.404
163 H SER 23 H SER 23 3.983 -1.543 8.177
164 HA SER 23 HA SER 23 1.284 -1.978 7.880
165 HB2 SER 23 2HB SER 23 2.958 0.086 9.045
166 HB3 SER 23 3HB SER 23 1.482 0.770 8.367
167 HG SER 23 HG SER 23 1.589 -0.217 10.662
168 H ASN 24 H ASN 24 3.349 0.232 6.042
169 HA ASN 24 HA ASN 24 1.999 0.030 3.648
170 HB2 ASN 24 2HB ASN 24 0.641 1.768 5.548
171 HB3 ASN 24 3HB ASN 24 1.072 2.619 4.067
172 HD21 ASN 24 1HD2 ASN 24 -1.519 1.661 5.225
173 HD22 ASN 24 2HD2 ASN 24 -2.260 0.764 3.948
174 H CYS 25 H CYS 25 2.791 3.102 5.234
175 HA CYS 25 HA CYS 25 5.368 3.201 3.888
176 HB2 CYS 25 2HB CYS 25 3.183 4.318 2.629
177 HB3 CYS 25 3HB CYS 25 3.879 5.690 3.487
178 H HIS 26 H HIS 26 6.588 5.209 4.510
179 HA HIS 26 HA HIS 26 5.739 6.667 6.821
180 HB2 HIS 26 2HB HIS 26 7.400 5.835 8.387
181 HB3 HIS 26 3HB HIS 26 6.371 4.508 7.857
182 HD1 HIS 26 HD1 HIS 26 7.858 3.951 5.149
183 HD2 HIS 26 HD2 HIS 26 9.679 4.377 8.859
184 HE1 HIS 26 HE1 HIS 26 10.056 2.744 4.961
185 H CYS 27 H CYS 27 6.750 8.581 6.882
186 HA CYS 27 HA CYS 27 8.964 9.004 5.019
187 HB2 CYS 27 2HB CYS 27 7.437 11.117 6.540
188 HB3 CYS 27 3HB CYS 27 8.428 11.329 5.101
189 H TYR 28 H TYR 28 10.422 10.961 5.886
190 HA TYR 28 HA TYR 28 11.150 10.529 8.681
191 HB2 TYR 28 2HB TYR 28 12.975 10.033 6.331
192 HB3 TYR 28 3HB TYR 28 13.588 10.352 7.950
193 HD1 TYR 28 HD1 TYR 28 11.475 8.019 5.984
194 HD2 TYR 28 HD2 TYR 28 13.710 8.633 9.552
195 HE1 TYR 28 HE1 TYR 28 11.235 5.635 6.537
196 HE2 TYR 28 HE2 TYR 28 13.478 6.250 10.114
197 HH TYR 28 HH TYR 28 12.996 4.166 9.136
198 H TYR 29 H TYR 29 11.307 12.459 9.585
199 HA TYR 29 HA TYR 29 11.943 14.780 7.917
200 HB2 TYR 29 2HB TYR 29 11.002 14.824 10.782
201 HB3 TYR 29 3HB TYR 29 10.942 16.129 9.602
202 HD1 TYR 29 HD1 TYR 29 9.814 14.710 7.259
203 HD2 TYR 29 HD2 TYR 29 8.766 14.505 11.377
204 HE1 TYR 29 HE1 TYR 29 7.528 14.047 6.638
205 HE2 TYR 29 HE2 TYR 29 6.478 13.840 10.768
206 HH TYR 29 HH TYR 29 5.156 14.256 7.859
Start of MODEL 8
1 H1 ALA 1 H ALA 1 0.052 -0.033 -1.990
2 HA ALA 1 HA ALA 1 2.864 -0.338 -1.203
3 HB1 ALA 1 1HB ALA 1 3.288 -1.019 -3.484
4 HB2 ALA 1 2HB ALA 1 1.956 -1.964 -2.817
5 HB3 ALA 1 3HB ALA 1 1.625 -0.641 -3.935
6 H CYS 2 H CYS 2 4.457 0.861 -2.602
7 HA CYS 2 HA CYS 2 3.899 3.653 -2.455
8 HB2 CYS 2 2HB CYS 2 6.250 2.353 -3.836
9 HB3 CYS 2 3HB CYS 2 6.163 3.980 -3.167
10 H VAL 3 H VAL 3 3.343 5.074 -4.010
11 HA VAL 3 HA VAL 3 2.714 3.972 -6.655
12 HB VAL 3 HB VAL 3 1.297 5.948 -6.967
13 HG11 VAL 3 1HG1 VAL 3 0.103 4.150 -6.098
14 HG12 VAL 3 2HG1 VAL 3 0.899 4.255 -4.526
15 HG13 VAL 3 3HG1 VAL 3 -0.291 5.469 -4.996
16 HG21 VAL 3 3HG2 VAL 3 2.716 6.835 -4.563
17 HG22 VAL 3 1HG2 VAL 3 1.941 7.776 -5.838
18 HG23 VAL 3 2HG2 VAL 3 0.975 7.112 -4.520
19 H GLU 4 H GLU 4 4.570 6.473 -5.044
20 HA GLU 4 HA GLU 4 6.132 6.852 -7.467
21 HB2 GLU 4 2HB GLU 4 5.946 9.271 -7.448
22 HB3 GLU 4 3HB GLU 4 4.350 8.554 -7.616
23 HG2 GLU 4 2HG GLU 4 4.049 8.872 -5.151
24 HG3 GLU 4 3HG GLU 4 5.551 9.793 -5.156
25 H ASN 5 H ASN 5 6.759 5.583 -5.034
26 HA ASN 5 HA ASN 5 8.472 5.445 -3.544
27 HB2 ASN 5 2HB ASN 5 9.650 8.000 -4.588
28 HB3 ASN 5 3HB ASN 5 10.471 6.555 -4.006
29 HD21 ASN 5 1HD2 ASN 5 10.676 8.111 -6.529
30 HD22 ASN 5 2HD2 ASN 5 10.460 6.949 -7.789
31 H CYS 6 H CYS 6 8.009 5.808 -1.486
32 HA CYS 6 HA CYS 6 6.530 7.897 -0.458
33 HB2 CYS 6 2HB CYS 6 8.172 5.740 0.626
34 HB3 CYS 6 3HB CYS 6 8.156 7.164 1.662
35 H ARG 7 H ARG 7 9.941 7.750 -1.142
36 HA ARG 7 HA ARG 7 10.887 9.841 0.432
37 HB2 ARG 7 2HB ARG 7 11.849 8.257 -1.737
38 HB3 ARG 7 3HB ARG 7 12.213 9.941 -2.085
39 HG2 ARG 7 2HG ARG 7 13.055 9.910 0.417
40 HG3 ARG 7 3HG ARG 7 13.228 8.187 0.079
41 HD2 ARG 7 2HD ARG 7 14.268 10.037 -1.974
42 HD3 ARG 7 3HD ARG 7 15.138 10.006 -0.441
43 HE ARG 7 HE ARG 7 14.808 7.372 -1.147
44 HH11 ARG 7 1HH1 ARG 7 16.276 10.189 -2.572
45 HH12 ARG 7 2HH1 ARG 7 17.482 9.288 -3.430
46 HH21 ARG 7 1HH2 ARG 7 16.391 6.174 -2.272
47 HH22 ARG 7 2HH2 ARG 7 17.545 7.004 -3.259
48 H LYS 8 H LYS 8 10.277 10.126 -3.068
49 HA LYS 8 HA LYS 8 10.119 12.954 -2.987
50 HB2 LYS 8 2HB LYS 8 10.500 11.169 -4.967
51 HB3 LYS 8 3HB LYS 8 8.793 11.513 -5.215
52 HG2 LYS 8 2HG LYS 8 9.544 13.191 -6.486
53 HG3 LYS 8 3HG LYS 8 9.800 14.019 -4.949
54 HD2 LYS 8 2HD LYS 8 11.812 14.220 -6.214
55 HD3 LYS 8 3HD LYS 8 12.116 13.057 -4.921
56 HE2 LYS 8 2HE LYS 8 11.289 11.381 -6.843
57 HE3 LYS 8 3HE LYS 8 11.968 12.659 -7.849
58 HZ1 LYS 8 3HZ LYS 8 13.589 11.765 -5.600
59 HZ2 LYS 8 1HZ LYS 8 14.058 12.216 -7.162
60 HZ3 LYS 8 2HZ LYS 8 13.417 10.676 -6.882
61 H TYR 9 H TYR 9 7.739 10.395 -2.771
62 HA TYR 9 HA TYR 9 5.418 11.879 -3.251
63 HB2 TYR 9 2HB TYR 9 5.177 9.535 -3.189
64 HB3 TYR 9 3HB TYR 9 5.960 9.408 -1.618
65 HD1 TYR 9 HD1 TYR 9 2.905 10.761 -3.265
66 HD2 TYR 9 HD2 TYR 9 4.669 9.300 0.320
67 HE1 TYR 9 HE1 TYR 9 0.702 10.800 -2.172
68 HE2 TYR 9 HE2 TYR 9 2.471 9.333 1.422
69 HH TYR 9 HH TYR 9 -0.400 9.568 -0.207
70 H CYS 10 H CYS 10 7.345 11.470 -0.336
71 HA CYS 10 HA CYS 10 5.472 13.066 1.226
72 HB2 CYS 10 2HB CYS 10 6.943 10.945 1.954
73 HB3 CYS 10 3HB CYS 10 8.084 12.222 2.366
74 H GLN 11 H GLN 11 8.718 13.250 -0.125
75 HA GLN 11 HA GLN 11 9.599 15.590 1.101
76 HB2 GLN 11 2HB GLN 11 10.203 14.339 -1.565
77 HB3 GLN 11 3HB GLN 11 10.946 15.859 -1.086
78 HG2 GLN 11 2HG GLN 11 12.238 14.886 0.521
79 HG3 GLN 11 3HG GLN 11 11.100 13.568 0.795
80 HE21 GLN 11 1HE2 GLN 11 13.453 12.638 0.712
81 HE22 GLN 11 2HE2 GLN 11 13.898 11.962 -0.814
82 H ASP 12 H ASP 12 7.216 15.119 -1.342
83 HA ASP 12 HA ASP 12 7.271 17.818 -2.337
84 HB2 ASP 12 2HB ASP 12 6.377 15.557 -3.433
85 HB3 ASP 12 3HB ASP 12 4.868 16.096 -2.699
86 H LYS 13 H LYS 13 5.766 16.143 0.273
87 HA LYS 13 HA LYS 13 3.963 18.415 0.760
88 HB2 LYS 13 2HB LYS 13 2.891 16.815 2.423
89 HB3 LYS 13 3HB LYS 13 2.699 16.420 0.720
90 HG2 LYS 13 2HG LYS 13 4.521 14.791 0.901
91 HG3 LYS 13 3HG LYS 13 4.679 15.174 2.616
92 HD2 LYS 13 2HD LYS 13 1.964 14.463 1.725
93 HD3 LYS 13 3HD LYS 13 3.153 13.162 1.638
94 HE2 LYS 13 2HE LYS 13 3.049 12.869 3.838
95 HE3 LYS 13 3HE LYS 13 3.449 14.564 4.116
96 HZ1 LYS 13 3HZ LYS 13 0.833 13.259 4.045
97 HZ2 LYS 13 1HZ LYS 13 0.928 14.854 3.489
98 HZ3 LYS 13 2HZ LYS 13 1.404 14.479 5.068
99 H GLY 14 H GLY 14 6.972 17.548 1.523
100 HA2 GLY 14 2HA GLY 14 8.176 18.890 3.134
101 HA3 GLY 14 3HA GLY 14 6.778 18.783 4.193
102 H ALA 15 H ALA 15 9.672 17.235 3.097
103 HA ALA 15 HA ALA 15 10.005 15.742 5.441
104 HB1 ALA 15 1HB ALA 15 9.145 13.701 5.072
105 HB2 ALA 15 2HB ALA 15 8.099 14.543 3.928
106 HB3 ALA 15 3HB ALA 15 9.554 13.725 3.357
107 H ARG 16 H ARG 16 12.072 15.017 5.600
108 HA ARG 16 HA ARG 16 13.916 15.779 3.560
109 HB2 ARG 16 2HB ARG 16 14.040 14.806 6.318
110 HB3 ARG 16 3HB ARG 16 15.349 14.204 5.309
111 HG2 ARG 16 2HG ARG 16 16.376 16.107 5.858
112 HG3 ARG 16 3HG ARG 16 15.321 16.845 4.651
113 HD2 ARG 16 2HD ARG 16 13.641 17.094 6.585
114 HD3 ARG 16 3HD ARG 16 15.026 16.792 7.635
115 HE ARG 16 HE ARG 16 15.479 18.868 5.701
116 HH11 ARG 16 1HH1 ARG 16 14.195 18.125 8.851
117 HH12 ARG 16 2HH1 ARG 16 14.389 19.737 9.454
118 HH21 ARG 16 1HH2 ARG 16 15.738 20.995 6.483
119 HH22 ARG 16 2HH2 ARG 16 15.266 21.369 8.106
120 H ASN 17 H ASN 17 12.645 12.701 4.738
121 HA ASN 17 HA ASN 17 13.445 11.441 2.243
122 HB2 ASN 17 2HB ASN 17 15.243 11.177 4.152
123 HB3 ASN 17 3HB ASN 17 14.125 9.953 4.748
124 HD21 ASN 17 1HD2 ASN 17 13.945 8.035 3.698
125 HD22 ASN 17 2HD2 ASN 17 14.941 7.576 2.362
126 H GLY 18 H GLY 18 12.672 9.022 2.330
127 HA2 GLY 18 2HA GLY 18 10.531 8.309 4.022
128 HA3 GLY 18 3HA GLY 18 9.885 9.043 2.562
129 H LYS 19 H LYS 19 9.624 6.297 3.542
130 HA LYS 19 HA LYS 19 10.297 4.964 1.068
131 HB2 LYS 19 2HB LYS 19 11.177 3.077 2.908
132 HB3 LYS 19 3HB LYS 19 12.182 4.016 1.811
133 HG2 LYS 19 2HG LYS 19 12.430 5.740 3.546
134 HG3 LYS 19 3HG LYS 19 11.472 4.746 4.646
135 HD2 LYS 19 2HD LYS 19 13.605 3.199 3.487
136 HD3 LYS 19 3HD LYS 19 14.243 4.660 4.244
137 HE2 LYS 19 2HE LYS 19 14.229 3.236 6.038
138 HE3 LYS 19 3HE LYS 19 12.630 3.961 6.197
139 HZ1 LYS 19 3HZ LYS 19 11.934 1.956 4.725
140 HZ2 LYS 19 1HZ LYS 19 12.156 1.743 6.388
141 HZ3 LYS 19 2HZ LYS 19 13.362 1.260 5.306
142 H CYS 20 H CYS 20 9.646 2.485 1.393
143 HA CYS 20 HA CYS 20 6.897 2.576 2.353
144 HB2 CYS 20 2HB CYS 20 8.424 0.921 0.425
145 HB3 CYS 20 3HB CYS 20 7.121 0.109 1.287
146 H ILE 21 H ILE 21 6.027 1.126 3.840
147 HA ILE 21 HA ILE 21 7.939 -0.533 5.333
148 HB ILE 21 HB ILE 21 7.458 1.678 6.489
149 HG12 ILE 21 2HG1 ILE 21 6.473 -0.412 8.331
150 HG13 ILE 21 3HG1 ILE 21 7.965 -0.800 7.482
151 HG21 ILE 21 1HG2 ILE 21 5.388 2.203 7.301
152 HG22 ILE 21 2HG2 ILE 21 4.924 1.345 5.833
153 HG23 ILE 21 3HG2 ILE 21 4.873 0.519 7.390
154 HD11 ILE 21 3HD1 ILE 21 7.448 1.563 9.267
155 HD12 ILE 21 1HD1 ILE 21 8.512 0.192 9.580
156 HD13 ILE 21 2HD1 ILE 21 8.909 1.345 8.305
157 H ASN 22 H ASN 22 6.908 -2.202 6.656
158 HA ASN 22 HA ASN 22 5.254 -3.883 5.343
159 HB2 ASN 22 2HB ASN 22 4.467 -4.576 7.762
160 HB3 ASN 22 3HB ASN 22 6.135 -4.829 7.255
161 HD21 ASN 22 1HD2 ASN 22 4.079 -3.370 9.498
162 HD22 ASN 22 2HD2 ASN 22 5.263 -2.450 10.356
163 H SER 23 H SER 23 4.057 -1.722 7.921
164 HA SER 23 HA SER 23 1.360 -2.150 7.603
165 HB2 SER 23 2HB SER 23 1.828 -0.839 9.445
166 HB3 SER 23 3HB SER 23 2.974 0.174 8.567
167 HG SER 23 HG SER 23 0.818 1.090 9.134
168 H ASN 24 H ASN 24 3.436 0.090 5.820
169 HA ASN 24 HA ASN 24 2.096 -0.041 3.421
170 HB2 ASN 24 2HB ASN 24 0.714 1.631 5.360
171 HB3 ASN 24 3HB ASN 24 1.160 2.537 3.917
172 HD21 ASN 24 1HD2 ASN 24 -1.184 2.667 3.672
173 HD22 ASN 24 2HD2 ASN 24 -2.007 1.375 2.872
174 H CYS 25 H CYS 25 2.880 2.981 5.109
175 HA CYS 25 HA CYS 25 5.460 3.129 3.776
176 HB2 CYS 25 2HB CYS 25 3.259 4.291 2.556
177 HB3 CYS 25 3HB CYS 25 4.000 5.631 3.424
178 H HIS 26 H HIS 26 6.646 5.159 4.444
179 HA HIS 26 HA HIS 26 5.780 6.539 6.793
180 HB2 HIS 26 2HB HIS 26 7.439 5.678 8.347
181 HB3 HIS 26 3HB HIS 26 6.424 4.357 7.775
182 HD1 HIS 26 HD1 HIS 26 7.914 3.846 5.076
183 HD2 HIS 26 HD2 HIS 26 9.746 4.266 8.781
184 HE1 HIS 26 HE1 HIS 26 10.129 2.674 4.868
185 H CYS 27 H CYS 27 6.719 8.478 6.817
186 HA CYS 27 HA CYS 27 8.953 8.960 5.004
187 HB2 CYS 27 2HB CYS 27 7.419 11.023 6.585
188 HB3 CYS 27 3HB CYS 27 8.395 11.274 5.141
189 H TYR 28 H TYR 28 10.371 10.935 5.939
190 HA TYR 28 HA TYR 28 11.117 10.424 8.713
191 HB2 TYR 28 2HB TYR 28 12.936 9.998 6.347
192 HB3 TYR 28 3HB TYR 28 13.559 10.301 7.965
193 HD1 TYR 28 HD1 TYR 28 11.485 7.964 5.967
194 HD2 TYR 28 HD2 TYR 28 13.691 8.565 9.555
195 HE1 TYR 28 HE1 TYR 28 11.282 5.569 6.486
196 HE2 TYR 28 HE2 TYR 28 13.495 6.172 10.084
197 HH TYR 28 HH TYR 28 12.666 4.211 9.465
198 H TYR 29 H TYR 29 11.303 12.321 9.682
199 HA TYR 29 HA TYR 29 11.864 14.701 8.074
200 HB2 TYR 29 2HB TYR 29 11.024 14.642 10.970
201 HB3 TYR 29 3HB TYR 29 10.906 15.982 9.835
202 HD1 TYR 29 HD1 TYR 29 9.714 14.614 7.489
203 HD2 TYR 29 HD2 TYR 29 8.812 14.281 11.634
204 HE1 TYR 29 HE1 TYR 29 7.415 13.941 6.929
205 HE2 TYR 29 HE2 TYR 29 6.512 13.606 11.085
206 HH TYR 29 HH TYR 29 5.253 13.814 7.869
Start of MODEL 9
1 H1 ALA 1 H ALA 1 5.931 -1.762 -6.724
2 HA ALA 1 HA ALA 1 7.320 -0.303 -4.573
3 HB1 ALA 1 1HB ALA 1 6.288 1.540 -6.476
4 HB2 ALA 1 2HB ALA 1 7.966 1.254 -6.013
5 HB3 ALA 1 3HB ALA 1 7.246 0.331 -7.332
6 H CYS 2 H CYS 2 5.870 1.919 -4.345
7 HA CYS 2 HA CYS 2 3.267 0.905 -3.469
8 HB2 CYS 2 2HB CYS 2 4.572 3.551 -2.809
9 HB3 CYS 2 3HB CYS 2 3.165 2.841 -2.025
10 H VAL 3 H VAL 3 4.373 4.071 -4.678
11 HA VAL 3 HA VAL 3 2.394 4.010 -6.799
12 HB VAL 3 HB VAL 3 1.458 6.242 -6.101
13 HG11 VAL 3 1HG1 VAL 3 0.927 3.905 -4.269
14 HG12 VAL 3 2HG1 VAL 3 -0.145 5.284 -4.521
15 HG13 VAL 3 3HG1 VAL 3 0.192 4.172 -5.849
16 HG21 VAL 3 3HG2 VAL 3 1.586 6.728 -3.644
17 HG22 VAL 3 1HG2 VAL 3 2.876 5.530 -3.541
18 HG23 VAL 3 2HG2 VAL 3 3.092 6.977 -4.526
19 H GLU 4 H GLU 4 4.838 5.871 -5.043
20 HA GLU 4 HA GLU 4 6.243 6.498 -7.439
21 HB2 GLU 4 2HB GLU 4 5.952 8.880 -7.496
22 HB3 GLU 4 3HB GLU 4 4.361 8.135 -7.554
23 HG2 GLU 4 2HG GLU 4 4.281 8.500 -5.035
24 HG3 GLU 4 3HG GLU 4 5.670 9.561 -5.267
25 H ASN 5 H ASN 5 6.801 5.292 -4.908
26 HA ASN 5 HA ASN 5 8.481 5.218 -3.376
27 HB2 ASN 5 2HB ASN 5 9.710 7.702 -4.520
28 HB3 ASN 5 3HB ASN 5 10.500 6.272 -3.863
29 HD21 ASN 5 1HD2 ASN 5 10.783 7.708 -6.443
30 HD22 ASN 5 2HD2 ASN 5 10.564 6.498 -7.657
31 H CYS 6 H CYS 6 7.935 5.687 -1.359
32 HA CYS 6 HA CYS 6 6.491 7.878 -0.492
33 HB2 CYS 6 2HB CYS 6 7.969 5.695 0.750
34 HB3 CYS 6 3HB CYS 6 8.011 7.163 1.721
35 H ARG 7 H ARG 7 9.904 7.577 -1.061
36 HA ARG 7 HA ARG 7 10.890 9.679 0.479
37 HB2 ARG 7 2HB ARG 7 11.871 7.957 -1.543
38 HB3 ARG 7 3HB ARG 7 12.256 9.599 -2.042
39 HG2 ARG 7 2HG ARG 7 13.446 10.006 -0.002
40 HG3 ARG 7 3HG ARG 7 12.929 8.453 0.657
41 HD2 ARG 7 2HD ARG 7 14.704 7.476 -0.248
42 HD3 ARG 7 3HD ARG 7 14.161 7.970 -1.851
43 HE ARG 7 HE ARG 7 16.231 9.196 -0.258
44 HH11 ARG 7 1HH1 ARG 7 14.002 9.582 -2.904
45 HH12 ARG 7 2HH1 ARG 7 14.916 10.844 -3.661
46 HH21 ARG 7 1HH2 ARG 7 17.444 10.857 -1.245
47 HH22 ARG 7 2HH2 ARG 7 16.874 11.568 -2.717
48 H LYS 8 H LYS 8 10.192 9.810 -3.020
49 HA LYS 8 HA LYS 8 10.243 12.655 -3.087
50 HB2 LYS 8 2HB LYS 8 10.549 10.819 -4.986
51 HB3 LYS 8 3HB LYS 8 8.827 11.103 -5.202
52 HG2 LYS 8 2HG LYS 8 9.590 13.624 -5.213
53 HG3 LYS 8 3HG LYS 8 11.130 12.912 -5.700
54 HD2 LYS 8 2HD LYS 8 9.416 11.577 -7.319
55 HD3 LYS 8 3HD LYS 8 8.591 13.130 -7.173
56 HE2 LYS 8 2HE LYS 8 10.152 14.209 -8.380
57 HE3 LYS 8 3HE LYS 8 11.481 13.321 -7.637
58 HZ1 LYS 8 3HZ LYS 8 9.700 12.266 -9.767
59 HZ2 LYS 8 1HZ LYS 8 11.017 11.456 -9.079
60 HZ3 LYS 8 2HZ LYS 8 11.271 12.847 -10.007
61 H TYR 9 H TYR 9 7.708 10.248 -2.775
62 HA TYR 9 HA TYR 9 5.487 11.881 -3.258
63 HB2 TYR 9 2HB TYR 9 5.110 9.547 -3.176
64 HB3 TYR 9 3HB TYR 9 5.862 9.399 -1.592
65 HD1 TYR 9 HD2 TYR 9 2.914 10.878 -3.317
66 HD2 TYR 9 HD1 TYR 9 4.549 9.442 0.339
67 HE1 TYR 9 HE2 TYR 9 0.704 11.077 -2.257
68 HE2 TYR 9 HE1 TYR 9 2.343 9.636 1.409
69 HH TYR 9 HH TYR 9 -0.521 10.558 -0.442
70 H CYS 10 H CYS 10 7.264 11.214 -0.269
71 HA CYS 10 HA CYS 10 5.556 12.971 1.274
72 HB2 CYS 10 2HB CYS 10 6.941 10.782 1.980
73 HB3 CYS 10 3HB CYS 10 8.137 12.009 2.387
74 H GLN 11 H GLN 11 8.787 13.005 -0.123
75 HA GLN 11 HA GLN 11 9.853 15.250 1.086
76 HB2 GLN 11 2HB GLN 11 10.244 13.904 -1.534
77 HB3 GLN 11 3HB GLN 11 10.897 15.528 -1.362
78 HG2 GLN 11 2HG GLN 11 12.362 14.890 0.333
79 HG3 GLN 11 3HG GLN 11 11.479 13.400 0.661
80 HE21 GLN 11 1HE2 GLN 11 13.440 12.249 0.470
81 HE22 GLN 11 2HE2 GLN 11 14.118 11.891 -1.078
82 H ASP 12 H ASP 12 7.493 15.024 -1.494
83 HA ASP 12 HA ASP 12 7.568 17.734 -2.300
84 HB2 ASP 12 2HB ASP 12 6.425 15.584 -3.365
85 HB3 ASP 12 3HB ASP 12 5.026 16.186 -2.480
86 H LYS 13 H LYS 13 5.386 15.986 -0.098
87 HA LYS 13 HA LYS 13 3.970 18.341 0.678
88 HB2 LYS 13 2HB LYS 13 3.012 16.864 2.451
89 HB3 LYS 13 3HB LYS 13 2.843 16.225 0.821
90 HG2 LYS 13 2HG LYS 13 4.806 14.782 1.222
91 HG3 LYS 13 3HG LYS 13 4.866 15.375 2.883
92 HD2 LYS 13 2HD LYS 13 2.216 14.449 2.152
93 HD3 LYS 13 3HD LYS 13 3.434 13.187 1.958
94 HE2 LYS 13 2HE LYS 13 3.570 12.901 4.159
95 HE3 LYS 13 3HE LYS 13 3.859 14.622 4.414
96 HZ1 LYS 13 3HZ LYS 13 1.186 13.367 4.092
97 HZ2 LYS 13 1HZ LYS 13 1.487 15.004 4.393
98 HZ3 LYS 13 2HZ LYS 13 1.869 13.845 5.564
99 H GLY 14 H GLY 14 7.029 17.227 1.411
100 HA2 GLY 14 2HA GLY 14 8.393 18.757 2.760
101 HA3 GLY 14 3HA GLY 14 7.059 18.816 3.902
102 H ALA 15 H ALA 15 9.870 17.118 2.880
103 HA ALA 15 HA ALA 15 10.219 15.801 5.321
104 HB1 ALA 15 1HB ALA 15 9.303 13.763 5.133
105 HB2 ALA 15 2HB ALA 15 8.272 14.521 3.918
106 HB3 ALA 15 3HB ALA 15 9.709 13.628 3.422
107 H ARG 16 H ARG 16 12.271 15.025 5.498
108 HA ARG 16 HA ARG 16 14.104 15.626 3.402
109 HB2 ARG 16 2HB ARG 16 14.234 14.821 6.200
110 HB3 ARG 16 3HB ARG 16 15.485 14.060 5.227
111 HG2 ARG 16 2HG ARG 16 16.649 15.922 5.598
112 HG3 ARG 16 3HG ARG 16 15.602 16.654 4.380
113 HD2 ARG 16 2HD ARG 16 15.400 18.137 6.137
114 HD3 ARG 16 3HD ARG 16 14.011 17.082 6.390
115 HE ARG 16 HE ARG 16 16.232 16.095 7.818
116 HH11 ARG 16 1HH1 ARG 16 13.918 18.696 7.856
117 HH12 ARG 16 2HH1 ARG 16 13.989 18.908 9.574
118 HH21 ARG 16 1HH2 ARG 16 16.334 16.364 10.080
119 HH22 ARG 16 2HH2 ARG 16 15.364 17.582 10.838
120 H ASN 17 H ASN 17 12.672 12.668 4.662
121 HA ASN 17 HA ASN 17 13.412 11.272 2.236
122 HB2 ASN 17 2HB ASN 17 15.254 11.043 4.122
123 HB3 ASN 17 3HB ASN 17 14.129 9.851 4.765
124 HD21 ASN 17 1HD2 ASN 17 13.928 7.905 3.784
125 HD22 ASN 17 2HD2 ASN 17 14.880 7.405 2.432
126 H GLY 18 H GLY 18 12.625 8.836 2.535
127 HA2 GLY 18 2HA GLY 18 10.531 8.235 4.291
128 HA3 GLY 18 3HA GLY 18 9.826 8.966 2.856
129 H LYS 19 H LYS 19 9.253 6.357 3.646
130 HA LYS 19 HA LYS 19 9.890 4.946 1.244
131 HB2 LYS 19 2HB LYS 19 10.738 2.972 2.914
132 HB3 LYS 19 3HB LYS 19 11.807 4.028 2.001
133 HG2 LYS 19 2HG LYS 19 12.344 5.305 3.846
134 HG3 LYS 19 3HG LYS 19 10.883 4.839 4.722
135 HD2 LYS 19 2HD LYS 19 11.749 2.733 5.271
136 HD3 LYS 19 3HD LYS 19 13.006 2.829 4.035
137 HE2 LYS 19 2HE LYS 19 13.488 5.023 5.652
138 HE3 LYS 19 3HE LYS 19 13.021 3.758 6.788
139 HZ1 LYS 19 3HZ LYS 19 15.495 4.086 5.778
140 HZ2 LYS 19 1HZ LYS 19 14.872 2.890 4.757
141 HZ3 LYS 19 2HZ LYS 19 14.906 2.641 6.429
142 H CYS 20 H CYS 20 9.118 2.502 1.599
143 HA CYS 20 HA CYS 20 6.394 2.746 2.598
144 HB2 CYS 20 2HB CYS 20 7.823 0.906 0.738
145 HB3 CYS 20 3HB CYS 20 6.402 0.288 1.573
146 H ILE 21 H ILE 21 5.470 1.374 4.124
147 HA ILE 21 HA ILE 21 7.309 -0.357 5.626
148 HB ILE 21 HB ILE 21 6.974 1.899 6.744
149 HG12 ILE 21 2HG1 ILE 21 5.897 -0.093 8.641
150 HG13 ILE 21 3HG1 ILE 21 7.353 -0.583 7.781
151 HG21 ILE 21 1HG2 ILE 21 4.342 0.913 7.708
152 HG22 ILE 21 2HG2 ILE 21 4.952 2.561 7.571
153 HG23 ILE 21 3HG2 ILE 21 4.414 1.698 6.131
154 HD11 ILE 21 3HD1 ILE 21 8.561 1.290 8.623
155 HD12 ILE 21 1HD1 ILE 21 7.097 1.990 9.313
156 HD13 ILE 21 2HD1 ILE 21 7.760 0.497 9.979
157 H ASN 22 H ASN 22 6.209 -1.940 6.995
158 HA ASN 22 HA ASN 22 4.439 -3.548 5.742
159 HB2 ASN 22 2HB ASN 22 3.655 -4.147 8.189
160 HB3 ASN 22 3HB ASN 22 5.295 -4.509 7.657
161 HD21 ASN 22 1HD2 ASN 22 7.006 -3.333 8.471
162 HD22 ASN 22 2HD2 ASN 22 6.852 -2.297 9.845
163 H SER 23 H SER 23 3.409 -1.280 8.300
164 HA SER 23 HA SER 23 0.688 -1.557 8.033
165 HB2 SER 23 2HB SER 23 2.291 0.912 8.725
166 HB3 SER 23 3HB SER 23 0.541 0.801 8.905
167 HG SER 23 HG SER 23 0.779 -0.656 10.499
168 H ASN 24 H ASN 24 2.855 0.533 6.177
169 HA ASN 24 HA ASN 24 1.469 0.433 3.802
170 HB2 ASN 24 2HB ASN 24 0.220 2.219 5.730
171 HB3 ASN 24 3HB ASN 24 0.686 3.066 4.259
172 HD21 ASN 24 1HD2 ASN 24 0.199 1.567 2.238
173 HD22 ASN 24 2HD2 ASN 24 -1.427 0.987 2.187
174 H CYS 25 H CYS 25 2.447 3.438 5.415
175 HA CYS 25 HA CYS 25 5.010 3.415 4.043
176 HB2 CYS 25 2HB CYS 25 2.868 4.661 2.818
177 HB3 CYS 25 3HB CYS 25 3.667 5.983 3.662
178 H HIS 26 H HIS 26 6.332 5.363 4.661
179 HA HIS 26 HA HIS 26 5.582 6.861 6.976
180 HB2 HIS 26 2HB HIS 26 7.177 5.925 8.550
181 HB3 HIS 26 3HB HIS 26 6.073 4.662 8.012
182 HD1 HIS 26 HD1 HIS 26 7.562 4.054 5.299
183 HD2 HIS 26 HD2 HIS 26 9.341 4.300 9.046
184 HE1 HIS 26 HE1 HIS 26 9.680 2.710 5.127
185 H CYS 27 H CYS 27 6.648 8.731 6.928
186 HA CYS 27 HA CYS 27 8.894 9.008 5.094
187 HB2 CYS 27 2HB CYS 27 7.534 11.203 6.657
188 HB3 CYS 27 3HB CYS 27 8.517 11.362 5.204
189 H TYR 28 H TYR 28 10.456 10.905 5.984
190 HA TYR 28 HA TYR 28 11.208 10.379 8.752
191 HB2 TYR 28 2HB TYR 28 12.950 9.774 6.367
192 HB3 TYR 28 3HB TYR 28 13.626 10.072 7.965
193 HD1 TYR 28 HD1 TYR 28 11.356 7.839 6.065
194 HD2 TYR 28 HD2 TYR 28 13.664 8.372 9.599
195 HE1 TYR 28 HE1 TYR 28 10.996 5.477 6.649
196 HE2 TYR 28 HE2 TYR 28 13.311 6.012 10.193
197 HH TYR 28 HH TYR 28 12.649 3.980 9.350
198 H TYR 29 H TYR 29 11.625 12.249 9.704
199 HA TYR 29 HA TYR 29 12.387 14.544 8.035
200 HB2 TYR 29 2HB TYR 29 11.382 14.671 10.875
201 HB3 TYR 29 3HB TYR 29 11.427 15.962 9.679
202 HD1 TYR 29 HD1 TYR 29 10.264 14.555 7.331
203 HD2 TYR 29 HD2 TYR 29 9.113 14.530 11.427
204 HE1 TYR 29 HE1 TYR 29 7.953 14.029 6.672
205 HE2 TYR 29 HE2 TYR 29 6.800 14.002 10.779
206 HH TYR 29 HH TYR 29 5.515 14.484 7.994
Start of MODEL 10
1 H1 ALA 1 H ALA 1 2.264 -0.566 1.286
2 HA ALA 1 HA ALA 1 3.418 -0.655 -0.674
3 HB1 ALA 1 1HB ALA 1 1.172 0.278 -2.344
4 HB2 ALA 1 2HB ALA 1 2.216 -1.133 -2.524
5 HB3 ALA 1 3HB ALA 1 0.875 -1.169 -1.379
6 H CYS 2 H CYS 2 3.466 0.835 -2.942
7 HA CYS 2 HA CYS 2 3.522 3.643 -2.108
8 HB2 CYS 2 2HB CYS 2 5.856 2.337 -3.511
9 HB3 CYS 2 3HB CYS 2 5.771 3.976 -2.873
10 H VAL 3 H VAL 3 3.531 5.151 -3.853
11 HA VAL 3 HA VAL 3 2.619 3.984 -6.403
12 HB VAL 3 HB VAL 3 1.383 6.135 -6.743
13 HG11 VAL 3 1HG1 VAL 3 -0.371 4.968 -6.047
14 HG12 VAL 3 2HG1 VAL 3 0.712 3.900 -5.153
15 HG13 VAL 3 3HG1 VAL 3 0.029 5.324 -4.367
16 HG21 VAL 3 3HG2 VAL 3 0.902 7.462 -4.676
17 HG22 VAL 3 1HG2 VAL 3 2.196 6.571 -3.874
18 HG23 VAL 3 2HG2 VAL 3 2.560 7.597 -5.261
19 H GLU 4 H GLU 4 4.470 6.588 -4.896
20 HA GLU 4 HA GLU 4 6.086 6.776 -7.322
21 HB2 GLU 4 2HB GLU 4 6.001 9.203 -7.357
22 HB3 GLU 4 3HB GLU 4 4.378 8.544 -7.511
23 HG2 GLU 4 2HG GLU 4 4.073 8.936 -5.065
24 HG3 GLU 4 3HG GLU 4 5.623 9.775 -5.067
25 H ASN 5 H ASN 5 6.683 5.542 -4.867
26 HA ASN 5 HA ASN 5 8.403 5.371 -3.388
27 HB2 ASN 5 2HB ASN 5 9.659 7.862 -4.494
28 HB3 ASN 5 3HB ASN 5 10.436 6.406 -3.881
29 HD21 ASN 5 1HD2 ASN 5 10.383 8.010 -6.510
30 HD22 ASN 5 2HD2 ASN 5 10.237 6.780 -7.714
31 H CYS 6 H CYS 6 8.020 5.796 -1.326
32 HA CYS 6 HA CYS 6 6.601 7.944 -0.324
33 HB2 CYS 6 2HB CYS 6 8.140 5.741 0.766
34 HB3 CYS 6 3HB CYS 6 8.302 7.185 1.759
35 H ARG 7 H ARG 7 9.982 7.708 -1.091
36 HA ARG 7 HA ARG 7 11.011 9.807 0.430
37 HB2 ARG 7 2HB ARG 7 11.900 8.144 -1.709
38 HB3 ARG 7 3HB ARG 7 12.293 9.810 -2.113
39 HG2 ARG 7 2HG ARG 7 13.289 9.952 0.238
40 HG3 ARG 7 3HG ARG 7 13.199 8.189 0.237
41 HD2 ARG 7 2HD ARG 7 15.400 8.961 -0.479
42 HD3 ARG 7 3HD ARG 7 14.567 8.114 -1.782
43 HE ARG 7 HE ARG 7 13.984 10.777 -2.139
44 HH11 ARG 7 1HH1 ARG 7 16.862 8.824 -1.996
45 HH12 ARG 7 2HH1 ARG 7 17.765 9.844 -3.065
46 HH21 ARG 7 1HH2 ARG 7 15.163 12.129 -3.548
47 HH22 ARG 7 2HH2 ARG 7 16.798 11.724 -3.947
48 H LYS 8 H LYS 8 10.379 10.031 -3.069
49 HA LYS 8 HA LYS 8 10.268 12.863 -3.039
50 HB2 LYS 8 2HB LYS 8 10.593 11.008 -4.985
51 HB3 LYS 8 3HB LYS 8 8.910 11.444 -5.249
52 HG2 LYS 8 2HG LYS 8 9.692 13.857 -5.275
53 HG3 LYS 8 3HG LYS 8 11.331 13.212 -5.379
54 HD2 LYS 8 2HD LYS 8 9.661 11.885 -7.288
55 HD3 LYS 8 3HD LYS 8 9.493 13.632 -7.475
56 HE2 LYS 8 2HE LYS 8 11.956 13.818 -7.569
57 HE3 LYS 8 3HE LYS 8 12.069 12.061 -7.478
58 HZ1 LYS 8 3HZ LYS 8 10.934 11.869 -9.559
59 HZ2 LYS 8 1HZ LYS 8 12.221 12.948 -9.761
60 HZ3 LYS 8 2HZ LYS 8 10.641 13.533 -9.624
61 H TYR 9 H TYR 9 7.862 10.352 -2.723
62 HA TYR 9 HA TYR 9 5.555 11.846 -3.254
63 HB2 TYR 9 2HB TYR 9 5.304 9.500 -3.113
64 HB3 TYR 9 3HB TYR 9 6.063 9.432 -1.526
65 HD1 TYR 9 HD1 TYR 9 3.047 10.749 -3.272
66 HD2 TYR 9 HD2 TYR 9 4.742 9.410 0.393
67 HE1 TYR 9 HE1 TYR 9 0.828 10.852 -2.215
68 HE2 TYR 9 HE2 TYR 9 2.528 9.508 1.460
69 HH TYR 9 HH TYR 9 0.407 10.241 1.235
70 H CYS 10 H CYS 10 7.442 11.453 -0.301
71 HA CYS 10 HA CYS 10 5.612 13.158 1.191
72 HB2 CYS 10 2HB CYS 10 7.042 11.018 1.982
73 HB3 CYS 10 3HB CYS 10 8.181 12.295 2.396
74 H GLN 11 H GLN 11 8.896 13.200 -0.092
75 HA GLN 11 HA GLN 11 9.793 15.575 1.063
76 HB2 GLN 11 2HB GLN 11 10.470 14.187 -1.518
77 HB3 GLN 11 3HB GLN 11 11.240 15.702 -1.066
78 HG2 GLN 11 2HG GLN 11 12.449 14.755 0.608
79 HG3 GLN 11 3HG GLN 11 11.241 13.512 0.929
80 HE21 GLN 11 1HE2 GLN 11 13.681 12.610 0.933
81 HE22 GLN 11 2HE2 GLN 11 14.081 11.765 -0.519
82 H ASP 12 H ASP 12 7.500 15.038 -1.452
83 HA ASP 12 HA ASP 12 7.664 17.689 -2.564
84 HB2 ASP 12 2HB ASP 12 6.850 15.481 -3.700
85 HB3 ASP 12 3HB ASP 12 5.308 15.872 -2.944
86 H LYS 13 H LYS 13 6.102 16.214 0.097
87 HA LYS 13 HA LYS 13 4.310 18.535 0.389
88 HB2 LYS 13 2HB LYS 13 3.127 16.974 2.067
89 HB3 LYS 13 3HB LYS 13 2.912 16.664 0.349
90 HG2 LYS 13 2HG LYS 13 4.682 14.937 0.486
91 HG3 LYS 13 3HG LYS 13 4.752 15.201 2.230
92 HD2 LYS 13 2HD LYS 13 3.357 13.279 1.723
93 HD3 LYS 13 3HD LYS 13 2.378 14.581 2.401
94 HE2 LYS 13 2HE LYS 13 2.607 14.617 -0.523
95 HE3 LYS 13 3HE LYS 13 1.787 13.199 0.128
96 HZ1 LYS 13 3HZ LYS 13 0.005 14.403 0.645
97 HZ2 LYS 13 1HZ LYS 13 0.656 15.633 -0.317
98 HZ3 LYS 13 2HZ LYS 13 0.919 15.637 1.354
99 H GLY 14 H GLY 14 7.233 17.610 1.325
100 HA2 GLY 14 2HA GLY 14 8.377 18.941 2.990
101 HA3 GLY 14 3HA GLY 14 6.925 18.863 3.977
102 H ALA 15 H ALA 15 9.842 17.256 3.032
103 HA ALA 15 HA ALA 15 10.033 15.771 5.396
104 HB1 ALA 15 1HB ALA 15 9.643 13.754 3.297
105 HB2 ALA 15 2HB ALA 15 9.157 13.741 4.993
106 HB3 ALA 15 3HB ALA 15 8.180 14.599 3.801
107 H ARG 16 H ARG 16 12.075 15.009 5.659
108 HA ARG 16 HA ARG 16 14.027 15.718 3.697
109 HB2 ARG 16 2HB ARG 16 13.994 14.934 6.479
110 HB3 ARG 16 3HB ARG 16 15.256 14.074 5.608
111 HG2 ARG 16 2HG ARG 16 16.546 15.863 5.746
112 HG3 ARG 16 3HG ARG 16 15.374 16.772 4.789
113 HD2 ARG 16 2HD ARG 16 15.509 18.043 6.710
114 HD3 ARG 16 3HD ARG 16 14.117 17.016 7.051
115 HE ARG 16 HE ARG 16 16.533 15.850 7.997
116 HH11 ARG 16 1HH1 ARG 16 14.146 18.280 8.715
117 HH12 ARG 16 2HH1 ARG 16 14.419 18.230 10.425
118 HH21 ARG 16 1HH2 ARG 16 16.902 15.774 10.246
119 HH22 ARG 16 2HH2 ARG 16 15.988 16.805 11.295
120 H ASN 17 H ASN 17 12.638 12.686 4.854
121 HA ASN 17 HA ASN 17 13.525 11.369 2.422
122 HB2 ASN 17 2HB ASN 17 15.252 11.124 4.404
123 HB3 ASN 17 3HB ASN 17 14.106 9.912 4.969
124 HD21 ASN 17 1HD2 ASN 17 13.940 7.988 3.917
125 HD22 ASN 17 2HD2 ASN 17 14.990 7.510 2.631
126 H GLY 18 H GLY 18 12.725 8.961 2.523
127 HA2 GLY 18 2HA GLY 18 10.516 8.307 4.158
128 HA3 GLY 18 3HA GLY 18 9.936 9.005 2.653
129 H LYS 19 H LYS 19 9.589 6.296 3.679
130 HA LYS 19 HA LYS 19 10.355 4.888 1.278
131 HB2 LYS 19 2HB LYS 19 11.141 3.046 3.207
132 HB3 LYS 19 3HB LYS 19 12.197 3.938 2.120
133 HG2 LYS 19 2HG LYS 19 12.427 5.704 3.800
134 HG3 LYS 19 3HG LYS 19 11.383 4.790 4.892
135 HD2 LYS 19 2HD LYS 19 14.042 3.872 3.799
136 HD3 LYS 19 3HD LYS 19 13.742 4.456 5.437
137 HE2 LYS 19 2HE LYS 19 12.159 2.593 5.775
138 HE3 LYS 19 3HE LYS 19 12.548 1.996 4.163
139 HZ1 LYS 19 3HZ LYS 19 14.938 2.384 5.572
140 HZ2 LYS 19 1HZ LYS 19 14.276 0.933 5.008
141 HZ3 LYS 19 2HZ LYS 19 13.892 1.491 6.557
142 H CYS 20 H CYS 20 9.654 2.436 1.618
143 HA CYS 20 HA CYS 20 6.874 2.574 2.473
144 HB2 CYS 20 2HB CYS 20 8.445 0.919 0.606
145 HB3 CYS 20 3HB CYS 20 7.192 0.051 1.487
146 H ILE 21 H ILE 21 5.929 1.172 3.959
147 HA ILE 21 HA ILE 21 7.758 -0.472 5.568
148 HB ILE 21 HB ILE 21 7.322 1.743 6.678
149 HG12 ILE 21 2HG1 ILE 21 6.070 -0.295 8.437
150 HG13 ILE 21 3HG1 ILE 21 7.645 -0.696 7.760
151 HG21 ILE 21 1HG2 ILE 21 5.257 2.482 7.201
152 HG22 ILE 21 2HG2 ILE 21 4.776 1.443 5.861
153 HG23 ILE 21 3HG2 ILE 21 4.641 0.861 7.520
154 HD11 ILE 21 3HD1 ILE 21 8.079 0.281 9.841
155 HD12 ILE 21 1HD1 ILE 21 8.431 1.539 8.657
156 HD13 ILE 21 2HD1 ILE 21 6.920 1.581 9.567
157 H ASN 22 H ASN 22 6.680 -2.117 6.852
158 HA ASN 22 HA ASN 22 5.021 -3.780 5.525
159 HB2 ASN 22 2HB ASN 22 5.342 -3.298 8.472
160 HB3 ASN 22 3HB ASN 22 4.200 -4.504 7.887
161 HD21 ASN 22 1HD2 ASN 22 7.209 -4.119 9.026
162 HD22 ASN 22 2HD2 ASN 22 7.994 -5.470 8.289
163 H SER 23 H SER 23 3.813 -1.568 8.054
164 HA SER 23 HA SER 23 1.116 -1.956 7.693
165 HB2 SER 23 2HB SER 23 2.795 0.049 8.937
166 HB3 SER 23 3HB SER 23 1.365 0.789 8.217
167 HG SER 23 HG SER 23 1.139 -1.530 9.801
168 H ASN 24 H ASN 24 3.254 0.246 5.931
169 HA ASN 24 HA ASN 24 1.955 0.098 3.505
170 HB2 ASN 24 2HB ASN 24 0.577 1.828 5.399
171 HB3 ASN 24 3HB ASN 24 1.053 2.693 3.941
172 HD21 ASN 24 1HD2 ASN 24 0.640 1.289 1.890
173 HD22 ASN 24 2HD2 ASN 24 -0.942 0.601 1.799
174 H CYS 25 H CYS 25 2.744 3.143 5.143
175 HA CYS 25 HA CYS 25 5.360 3.223 3.878
176 HB2 CYS 25 2HB CYS 25 3.240 4.349 2.534
177 HB3 CYS 25 3HB CYS 25 3.888 5.720 3.429
178 H HIS 26 H HIS 26 6.610 5.159 4.572
179 HA HIS 26 HA HIS 26 5.682 6.638 6.853
180 HB2 HIS 26 2HB HIS 26 7.291 5.790 8.461
181 HB3 HIS 26 3HB HIS 26 6.285 4.464 7.885
182 HD1 HIS 26 HD1 HIS 26 7.823 3.866 5.248
183 HD2 HIS 26 HD2 HIS 26 9.600 4.414 8.963
184 HE1 HIS 26 HE1 HIS 26 10.042 2.690 5.112
185 H CYS 27 H CYS 27 6.653 8.564 6.884
186 HA CYS 27 HA CYS 27 8.937 8.984 5.113
187 HB2 CYS 27 2HB CYS 27 7.372 11.105 6.581
188 HB3 CYS 27 3HB CYS 27 8.387 11.300 5.156
189 H TYR 28 H TYR 28 10.351 10.959 6.028
190 HA TYR 28 HA TYR 28 10.998 10.523 8.842
191 HB2 TYR 28 2HB TYR 28 12.896 10.050 6.546
192 HB3 TYR 28 3HB TYR 28 13.459 10.374 8.182
193 HD1 TYR 28 HD1 TYR 28 11.420 8.023 6.158
194 HD2 TYR 28 HD2 TYR 28 13.558 8.653 9.783
195 HE1 TYR 28 HE1 TYR 28 11.189 5.636 6.702
196 HE2 TYR 28 HE2 TYR 28 13.333 6.267 10.336
197 HH TYR 28 HH TYR 28 12.861 4.197 9.405
198 H TYR 29 H TYR 29 11.184 12.436 9.781
199 HA TYR 29 HA TYR 29 11.805 14.778 8.134
200 HB2 TYR 29 2HB TYR 29 10.833 14.791 10.990
201 HB3 TYR 29 3HB TYR 29 10.776 16.106 9.821
202 HD1 TYR 29 HD2 TYR 29 9.684 14.698 7.453
203 HD2 TYR 29 HD1 TYR 29 8.593 14.448 11.558
204 HE1 TYR 29 HE2 TYR 29 7.409 14.025 6.802
205 HE2 TYR 29 HE1 TYR 29 6.316 13.773 10.918
206 HH TYR 29 HH TYR 29 5.167 14.000 7.704
Start of MODEL 11
1 H1 ALA 1 H ALA 1 -0.145 -0.087 -2.671
2 HA ALA 1 HA ALA 1 1.948 0.346 -0.716
3 HB1 ALA 1 1HB ALA 1 2.431 -0.499 -3.548
4 HB2 ALA 1 2HB ALA 1 3.334 -0.912 -2.089
5 HB3 ALA 1 3HB ALA 1 1.746 -1.624 -2.374
6 H CYS 2 H CYS 2 4.106 1.085 -2.186
7 HA CYS 2 HA CYS 2 3.893 3.878 -2.278
8 HB2 CYS 2 2HB CYS 2 5.992 2.192 -3.653
9 HB3 CYS 2 3HB CYS 2 6.147 3.872 -3.149
10 H VAL 3 H VAL 3 3.151 5.220 -3.780
11 HA VAL 3 HA VAL 3 2.473 4.144 -6.416
12 HB VAL 3 HB VAL 3 1.114 6.165 -6.704
13 HG11 VAL 3 1HG1 VAL 3 0.579 4.023 -5.077
14 HG12 VAL 3 2HG1 VAL 3 0.175 5.400 -4.049
15 HG13 VAL 3 3HG1 VAL 3 -0.598 5.216 -5.624
16 HG21 VAL 3 3HG2 VAL 3 0.886 7.345 -4.254
17 HG22 VAL 3 1HG2 VAL 3 2.616 7.010 -4.337
18 HG23 VAL 3 2HG2 VAL 3 1.843 7.975 -5.594
19 H GLU 4 H GLU 4 4.445 6.593 -4.863
20 HA GLU 4 HA GLU 4 5.967 6.905 -7.320
21 HB2 GLU 4 2HB GLU 4 5.851 9.331 -7.320
22 HB3 GLU 4 3HB GLU 4 4.235 8.654 -7.464
23 HG2 GLU 4 2HG GLU 4 3.961 9.006 -5.005
24 HG3 GLU 4 3HG GLU 4 5.495 9.874 -5.023
25 H ASN 5 H ASN 5 6.614 5.643 -4.897
26 HA ASN 5 HA ASN 5 8.355 5.473 -3.441
27 HB2 ASN 5 2HB ASN 5 9.563 8.000 -4.518
28 HB3 ASN 5 3HB ASN 5 10.367 6.542 -3.945
29 HD21 ASN 5 1HD2 ASN 5 10.320 8.178 -6.528
30 HD22 ASN 5 2HD2 ASN 5 10.148 6.978 -7.760
31 H CYS 6 H CYS 6 7.975 5.856 -1.370
32 HA CYS 6 HA CYS 6 6.544 7.967 -0.315
33 HB2 CYS 6 2HB CYS 6 8.150 5.778 0.725
34 HB3 CYS 6 3HB CYS 6 8.260 7.209 1.745
35 H ARG 7 H ARG 7 9.925 7.787 -1.110
36 HA ARG 7 HA ARG 7 10.948 9.868 0.429
37 HB2 ARG 7 2HB ARG 7 11.808 8.285 -1.793
38 HB3 ARG 7 3HB ARG 7 12.194 9.969 -2.120
39 HG2 ARG 7 2HG ARG 7 13.143 9.917 0.315
40 HG3 ARG 7 3HG ARG 7 13.202 8.176 0.032
41 HD2 ARG 7 2HD ARG 7 14.283 9.917 -2.103
42 HD3 ARG 7 3HD ARG 7 15.207 9.834 -0.603
43 HE ARG 7 HE ARG 7 14.517 7.235 -1.484
44 HH11 ARG 7 1HH1 ARG 7 16.654 9.891 -2.190
45 HH12 ARG 7 2HH1 ARG 7 17.880 8.888 -2.892
46 HH21 ARG 7 1HH2 ARG 7 16.124 5.904 -2.405
47 HH22 ARG 7 2HH2 ARG 7 17.577 6.621 -3.014
48 H LYS 8 H LYS 8 10.249 10.174 -3.051
49 HA LYS 8 HA LYS 8 10.110 12.998 -2.961
50 HB2 LYS 8 2HB LYS 8 10.393 11.201 -4.954
51 HB3 LYS 8 3HB LYS 8 8.688 11.587 -5.144
52 HG2 LYS 8 2HG LYS 8 9.147 13.544 -6.084
53 HG3 LYS 8 3HG LYS 8 10.289 13.972 -4.808
54 HD2 LYS 8 2HD LYS 8 11.104 11.958 -6.848
55 HD3 LYS 8 3HD LYS 8 11.084 13.664 -7.300
56 HE2 LYS 8 2HE LYS 8 12.449 14.045 -5.165
57 HE3 LYS 8 3HE LYS 8 12.705 12.301 -5.171
58 HZ1 LYS 8 3HZ LYS 8 14.446 13.733 -6.299
59 HZ2 LYS 8 1HZ LYS 8 13.315 13.971 -7.534
60 HZ3 LYS 8 2HZ LYS 8 13.864 12.411 -7.179
61 H TYR 9 H TYR 9 7.711 10.465 -2.663
62 HA TYR 9 HA TYR 9 5.390 11.969 -3.064
63 HB2 TYR 9 2HB TYR 9 5.131 9.626 -2.981
64 HB3 TYR 9 3HB TYR 9 5.966 9.502 -1.437
65 HD1 TYR 9 HD2 TYR 9 2.874 10.898 -2.979
66 HD2 TYR 9 HD1 TYR 9 4.736 9.389 0.536
67 HE1 TYR 9 HE2 TYR 9 0.710 10.964 -1.812
68 HE2 TYR 9 HE1 TYR 9 2.577 9.449 1.713
69 HH TYR 9 HH TYR 9 0.441 10.073 1.611
70 H CYS 10 H CYS 10 7.384 11.514 -0.193
71 HA CYS 10 HA CYS 10 5.593 13.148 1.418
72 HB2 CYS 10 2HB CYS 10 7.086 11.018 2.095
73 HB3 CYS 10 3HB CYS 10 8.233 12.298 2.478
74 H GLN 11 H GLN 11 8.801 13.299 -0.029
75 HA GLN 11 HA GLN 11 9.719 15.650 1.155
76 HB2 GLN 11 2HB GLN 11 10.267 14.385 -1.520
77 HB3 GLN 11 3HB GLN 11 11.050 15.881 -1.030
78 HG2 GLN 11 2HG GLN 11 12.321 14.860 0.571
79 HG3 GLN 11 3HG GLN 11 11.166 13.549 0.808
80 HE21 GLN 11 1HE2 GLN 11 13.073 12.193 0.703
81 HE22 GLN 11 2HE2 GLN 11 13.681 11.707 -0.839
82 H ASP 12 H ASP 12 7.298 15.154 -1.247
83 HA ASP 12 HA ASP 12 7.347 17.847 -2.267
84 HB2 ASP 12 2HB ASP 12 6.537 15.714 -3.482
85 HB3 ASP 12 3HB ASP 12 5.046 15.933 -2.570
86 H LYS 13 H LYS 13 5.954 16.237 0.414
87 HA LYS 13 HA LYS 13 4.149 18.515 0.896
88 HB2 LYS 13 2HB LYS 13 3.088 16.861 2.575
89 HB3 LYS 13 3HB LYS 13 2.770 16.635 0.860
90 HG2 LYS 13 2HG LYS 13 4.554 14.924 0.795
91 HG3 LYS 13 3HG LYS 13 4.748 15.108 2.540
92 HD2 LYS 13 2HD LYS 13 3.338 13.192 2.041
93 HD3 LYS 13 3HD LYS 13 2.401 14.448 2.856
94 HE2 LYS 13 2HE LYS 13 2.301 14.851 0.021
95 HE3 LYS 13 3HE LYS 13 1.851 13.189 0.397
96 HZ1 LYS 13 3HZ LYS 13 0.672 15.408 1.929
97 HZ2 LYS 13 1HZ LYS 13 0.049 13.863 1.633
98 HZ3 LYS 13 2HZ LYS 13 0.055 15.022 0.402
99 H GLY 14 H GLY 14 7.131 17.632 1.628
100 HA2 GLY 14 2HA GLY 14 8.360 18.878 3.280
101 HA3 GLY 14 3HA GLY 14 6.955 18.787 4.332
102 H ALA 15 H ALA 15 9.814 17.185 3.217
103 HA ALA 15 HA ALA 15 10.097 15.640 5.534
104 HB1 ALA 15 1HB ALA 15 9.770 13.365 4.480
105 HB2 ALA 15 2HB ALA 15 8.301 14.269 4.849
106 HB3 ALA 15 3HB ALA 15 8.895 14.190 3.190
107 H ARG 16 H ARG 16 12.162 14.958 5.704
108 HA ARG 16 HA ARG 16 14.024 15.679 3.679
109 HB2 ARG 16 2HB ARG 16 14.105 14.788 6.433
110 HB3 ARG 16 3HB ARG 16 15.337 13.979 5.474
111 HG2 ARG 16 2HG ARG 16 16.529 15.804 6.061
112 HG3 ARG 16 3HG ARG 16 15.740 16.474 4.631
113 HD2 ARG 16 2HD ARG 16 13.917 16.882 6.686
114 HD3 ARG 16 3HD ARG 16 15.484 17.227 7.417
115 HE ARG 16 HE ARG 16 15.587 18.593 5.090
116 HH11 ARG 16 1HH1 ARG 16 13.256 18.462 7.673
117 HH12 ARG 16 2HH1 ARG 16 12.724 20.096 7.451
118 HH21 ARG 16 1HH2 ARG 16 14.895 20.745 4.789
119 HH22 ARG 16 2HH2 ARG 16 13.657 21.394 5.810
120 H ASN 17 H ASN 17 12.858 12.561 4.918
121 HA ASN 17 HA ASN 17 13.597 11.334 2.371
122 HB2 ASN 17 2HB ASN 17 15.409 11.016 4.203
123 HB3 ASN 17 3HB ASN 17 14.258 9.897 4.927
124 HD21 ASN 17 1HD2 ASN 17 13.974 7.915 4.050
125 HD22 ASN 17 2HD2 ASN 17 14.872 7.319 2.699
126 H GLY 18 H GLY 18 12.736 8.996 2.311
127 HA2 GLY 18 2HA GLY 18 10.556 8.306 4.012
128 HA3 GLY 18 3HA GLY 18 9.979 9.013 2.510
129 H LYS 19 H LYS 19 9.616 6.303 3.522
130 HA LYS 19 HA LYS 19 10.342 4.900 1.113
131 HB2 LYS 19 2HB LYS 19 11.207 3.045 2.972
132 HB3 LYS 19 3HB LYS 19 12.232 3.998 1.908
133 HG2 LYS 19 2HG LYS 19 12.468 5.697 3.640
134 HG3 LYS 19 3HG LYS 19 11.419 4.760 4.707
135 HD2 LYS 19 2HD LYS 19 13.970 3.660 3.546
136 HD3 LYS 19 3HD LYS 19 13.912 4.517 5.088
137 HE2 LYS 19 2HE LYS 19 12.658 2.854 6.108
138 HE3 LYS 19 3HE LYS 19 12.070 2.217 4.573
139 HZ1 LYS 19 3HZ LYS 19 14.581 1.690 4.220
140 HZ2 LYS 19 1HZ LYS 19 13.616 0.654 5.146
141 HZ3 LYS 19 2HZ LYS 19 14.643 1.760 5.909
142 H CYS 20 H CYS 20 9.663 2.448 1.452
143 HA CYS 20 HA CYS 20 6.917 2.562 2.425
144 HB2 CYS 20 2HB CYS 20 8.408 0.940 0.456
145 HB3 CYS 20 3HB CYS 20 7.164 0.078 1.355
146 H ILE 21 H ILE 21 6.039 1.080 3.889
147 HA ILE 21 HA ILE 21 7.954 -0.575 5.382
148 HB ILE 21 HB ILE 21 7.469 1.630 6.548
149 HG12 ILE 21 2HG1 ILE 21 6.482 -0.472 8.376
150 HG13 ILE 21 3HG1 ILE 21 7.980 -0.849 7.531
151 HG21 ILE 21 1HG2 ILE 21 4.884 0.465 7.438
152 HG22 ILE 21 2HG2 ILE 21 5.399 2.149 7.361
153 HG23 ILE 21 3HG2 ILE 21 4.936 1.300 5.886
154 HD11 ILE 21 3HD1 ILE 21 7.497 1.607 9.200
155 HD12 ILE 21 1HD1 ILE 21 8.368 0.165 9.722
156 HD13 ILE 21 2HD1 ILE 21 9.008 1.156 8.410
157 H ASN 22 H ASN 22 6.926 -2.251 6.696
158 HA ASN 22 HA ASN 22 5.275 -3.930 5.375
159 HB2 ASN 22 2HB ASN 22 4.487 -4.633 7.792
160 HB3 ASN 22 3HB ASN 22 6.155 -4.883 7.284
161 HD21 ASN 22 1HD2 ASN 22 4.051 -3.280 9.441
162 HD22 ASN 22 2HD2 ASN 22 5.253 -2.422 10.337
163 H SER 23 H SER 23 4.073 -1.779 7.959
164 HA SER 23 HA SER 23 1.377 -2.211 7.638
165 HB2 SER 23 2HB SER 23 2.988 -0.388 9.056
166 HB3 SER 23 3HB SER 23 1.832 0.593 8.153
167 HG SER 23 HG SER 23 0.173 -0.757 9.054
168 H ASN 24 H ASN 24 3.448 0.043 5.867
169 HA ASN 24 HA ASN 24 2.107 -0.084 3.466
170 HB2 ASN 24 2HB ASN 24 0.732 1.588 5.411
171 HB3 ASN 24 3HB ASN 24 1.171 2.491 3.964
172 HD21 ASN 24 1HD2 ASN 24 0.851 0.877 1.933
173 HD22 ASN 24 2HD2 ASN 24 -0.760 0.259 1.835
174 H CYS 25 H CYS 25 2.891 2.935 5.158
175 HA CYS 25 HA CYS 25 5.470 3.085 3.821
176 HB2 CYS 25 2HB CYS 25 3.280 4.243 2.599
177 HB3 CYS 25 3HB CYS 25 3.985 5.585 3.495
178 H HIS 26 H HIS 26 6.659 5.113 4.495
179 HA HIS 26 HA HIS 26 5.807 6.485 6.850
180 HB2 HIS 26 2HB HIS 26 7.456 5.606 8.404
181 HB3 HIS 26 3HB HIS 26 6.432 4.295 7.826
182 HD1 HIS 26 HD1 HIS 26 7.940 3.816 5.115
183 HD2 HIS 26 HD2 HIS 26 9.735 4.141 8.848
184 HE1 HIS 26 HE1 HIS 26 10.142 2.619 4.909
185 H CYS 27 H CYS 27 6.822 8.395 6.976
186 HA CYS 27 HA CYS 27 9.046 8.871 5.138
187 HB2 CYS 27 2HB CYS 27 7.509 10.937 6.715
188 HB3 CYS 27 3HB CYS 27 8.513 11.194 5.292
189 H TYR 28 H TYR 28 10.493 10.809 6.077
190 HA TYR 28 HA TYR 28 11.209 10.286 8.859
191 HB2 TYR 28 2HB TYR 28 13.046 9.864 6.505
192 HB3 TYR 28 3HB TYR 28 13.651 10.133 8.135
193 HD1 TYR 28 HD2 TYR 28 11.550 7.861 6.088
194 HD2 TYR 28 HD1 TYR 28 13.768 8.365 9.683
195 HE1 TYR 28 HE2 TYR 28 11.308 5.461 6.567
196 HE2 TYR 28 HE1 TYR 28 13.534 5.966 10.172
197 HH TYR 28 HH TYR 28 11.868 4.111 9.531
198 H TYR 29 H TYR 29 11.366 12.186 9.826
199 HA TYR 29 HA TYR 29 11.992 14.561 8.235
200 HB2 TYR 29 2HB TYR 29 11.082 14.507 11.110
201 HB3 TYR 29 3HB TYR 29 11.006 15.850 9.976
202 HD1 TYR 29 HD1 TYR 29 9.855 14.507 7.598
203 HD2 TYR 29 HD2 TYR 29 8.853 14.162 11.719
204 HE1 TYR 29 HE1 TYR 29 7.564 13.860 6.981
205 HE2 TYR 29 HE2 TYR 29 6.560 13.513 11.113
206 HH TYR 29 HH TYR 29 5.093 13.264 9.457
Start of MODEL 12
1 H1 ALA 1 H ALA 1 -0.100 2.534 -0.420
2 HA ALA 1 HA ALA 1 1.938 0.472 -0.588
3 HB1 ALA 1 1HB ALA 1 0.916 0.598 -3.206
4 HB2 ALA 1 2HB ALA 1 0.910 -0.779 -2.103
5 HB3 ALA 1 3HB ALA 1 -0.461 0.329 -2.138
6 H CYS 2 H CYS 2 3.521 0.924 -2.317
7 HA CYS 2 HA CYS 2 4.066 3.758 -2.432
8 HB2 CYS 2 2HB CYS 2 5.664 1.530 -3.699
9 HB3 CYS 2 3HB CYS 2 6.221 3.146 -3.278
10 H VAL 3 H VAL 3 3.846 5.078 -4.141
11 HA VAL 3 HA VAL 3 3.024 3.877 -6.706
12 HB VAL 3 HB VAL 3 1.642 5.883 -7.110
13 HG11 VAL 3 1HG1 VAL 3 -0.116 5.354 -5.370
14 HG12 VAL 3 2HG1 VAL 3 0.475 3.986 -6.315
15 HG13 VAL 3 3HG1 VAL 3 1.049 4.234 -4.665
16 HG21 VAL 3 3HG2 VAL 3 2.219 7.687 -5.904
17 HG22 VAL 3 1HG2 VAL 3 1.154 7.003 -4.675
18 HG23 VAL 3 2HG2 VAL 3 2.893 6.718 -4.593
19 H GLU 4 H GLU 4 4.763 6.463 -5.080
20 HA GLU 4 HA GLU 4 6.432 6.788 -7.445
21 HB2 GLU 4 2HB GLU 4 6.245 9.213 -7.449
22 HB3 GLU 4 3HB GLU 4 4.665 8.484 -7.695
23 HG2 GLU 4 2HG GLU 4 4.199 8.830 -5.278
24 HG3 GLU 4 3HG GLU 4 5.723 9.709 -5.161
25 H ASN 5 H ASN 5 6.996 5.546 -4.996
26 HA ASN 5 HA ASN 5 8.660 5.432 -3.449
27 HB2 ASN 5 2HB ASN 5 9.840 8.001 -4.454
28 HB3 ASN 5 3HB ASN 5 10.659 6.564 -3.848
29 HD21 ASN 5 1HD2 ASN 5 10.959 8.112 -6.352
30 HD22 ASN 5 2HD2 ASN 5 10.786 6.955 -7.623
31 H CYS 6 H CYS 6 8.138 5.794 -1.405
32 HA CYS 6 HA CYS 6 6.586 7.847 -0.423
33 HB2 CYS 6 2HB CYS 6 8.250 5.737 0.707
34 HB3 CYS 6 3HB CYS 6 8.206 7.169 1.730
35 H ARG 7 H ARG 7 10.028 7.782 -0.988
36 HA ARG 7 HA ARG 7 10.860 9.924 0.577
37 HB2 ARG 7 2HB ARG 7 11.942 8.332 -1.521
38 HB3 ARG 7 3HB ARG 7 12.255 10.018 -1.909
39 HG2 ARG 7 2HG ARG 7 13.054 10.126 0.581
40 HG3 ARG 7 3HG ARG 7 13.237 8.383 0.374
41 HD2 ARG 7 2HD ARG 7 14.320 9.811 -1.885
42 HD3 ARG 7 3HD ARG 7 15.039 10.381 -0.379
43 HE ARG 7 HE ARG 7 15.187 7.702 -0.130
44 HH11 ARG 7 1HH1 ARG 7 16.119 9.897 -2.667
45 HH12 ARG 7 2HH1 ARG 7 17.430 8.908 -3.219
46 HH21 ARG 7 1HH2 ARG 7 16.911 6.392 -0.847
47 HH22 ARG 7 2HH2 ARG 7 17.879 6.914 -2.184
48 H LYS 8 H LYS 8 10.356 10.145 -2.945
49 HA LYS 8 HA LYS 8 10.130 12.963 -2.925
50 HB2 LYS 8 2HB LYS 8 10.601 11.177 -4.862
51 HB3 LYS 8 3HB LYS 8 8.879 11.413 -5.132
52 HG2 LYS 8 2HG LYS 8 9.167 13.459 -5.993
53 HG3 LYS 8 3HG LYS 8 10.406 13.892 -4.813
54 HD2 LYS 8 2HD LYS 8 11.721 12.031 -6.283
55 HD3 LYS 8 3HD LYS 8 10.673 12.747 -7.510
56 HE2 LYS 8 2HE LYS 8 11.742 14.866 -5.976
57 HE3 LYS 8 3HE LYS 8 13.077 13.783 -6.368
58 HZ1 LYS 8 3HZ LYS 8 12.349 15.668 -8.005
59 HZ2 LYS 8 1HZ LYS 8 11.208 14.522 -8.501
60 HZ3 LYS 8 2HZ LYS 8 12.859 14.165 -8.591
61 H TYR 9 H TYR 9 7.793 10.369 -2.685
62 HA TYR 9 HA TYR 9 5.455 11.809 -3.228
63 HB2 TYR 9 2HB TYR 9 5.241 9.465 -3.139
64 HB3 TYR 9 3HB TYR 9 6.014 9.366 -1.561
65 HD1 TYR 9 HD2 TYR 9 2.935 10.537 -3.278
66 HD2 TYR 9 HD1 TYR 9 4.728 9.375 0.401
67 HE1 TYR 9 HE2 TYR 9 0.724 10.555 -2.201
68 HE2 TYR 9 HE1 TYR 9 2.522 9.388 1.488
69 HH TYR 9 HH TYR 9 0.296 10.498 1.121
70 H CYS 10 H CYS 10 7.378 11.518 -0.307
71 HA CYS 10 HA CYS 10 5.445 13.086 1.218
72 HB2 CYS 10 2HB CYS 10 6.987 11.009 1.982
73 HB3 CYS 10 3HB CYS 10 8.048 12.342 2.424
74 H GLN 11 H GLN 11 8.649 13.336 -0.188
75 HA GLN 11 HA GLN 11 9.454 15.732 1.036
76 HB2 GLN 11 2HB GLN 11 10.195 14.438 -1.581
77 HB3 GLN 11 3HB GLN 11 10.918 15.951 -1.050
78 HG2 GLN 11 2HG GLN 11 12.118 14.960 0.615
79 HG3 GLN 11 3HG GLN 11 10.957 13.650 0.824
80 HE21 GLN 11 1HE2 GLN 11 13.251 12.646 0.869
81 HE22 GLN 11 2HE2 GLN 11 13.792 11.993 -0.637
82 H ASP 12 H ASP 12 7.193 15.090 -1.484
83 HA ASP 12 HA ASP 12 7.210 17.775 -2.545
84 HB2 ASP 12 2HB ASP 12 6.469 15.395 -3.605
85 HB3 ASP 12 3HB ASP 12 4.899 16.017 -3.105
86 H LYS 13 H LYS 13 5.871 16.257 0.144
87 HA LYS 13 HA LYS 13 3.857 18.393 0.418
88 HB2 LYS 13 2HB LYS 13 2.643 16.782 1.934
89 HB3 LYS 13 3HB LYS 13 2.661 16.345 0.230
90 HG2 LYS 13 2HG LYS 13 4.673 14.884 0.806
91 HG3 LYS 13 3HG LYS 13 4.204 15.124 2.491
92 HD2 LYS 13 2HD LYS 13 2.108 14.268 0.563
93 HD3 LYS 13 3HD LYS 13 3.309 13.076 1.065
94 HE2 LYS 13 2HE LYS 13 1.647 14.730 2.961
95 HE3 LYS 13 3HE LYS 13 1.245 13.089 2.458
96 HZ1 LYS 13 3HZ LYS 13 2.376 13.060 4.570
97 HZ2 LYS 13 1HZ LYS 13 3.685 13.923 3.933
98 HZ3 LYS 13 2HZ LYS 13 3.367 12.350 3.397
99 H GLY 14 H GLY 14 6.810 17.615 1.387
100 HA2 GLY 14 2HA GLY 14 7.845 18.948 3.116
101 HA3 GLY 14 3HA GLY 14 6.378 18.766 4.067
102 H ALA 15 H ALA 15 9.363 17.283 3.073
103 HA ALA 15 HA ALA 15 9.637 15.783 5.420
104 HB1 ALA 15 1HB ALA 15 7.800 14.573 3.823
105 HB2 ALA 15 2HB ALA 15 9.286 13.764 3.325
106 HB3 ALA 15 3HB ALA 15 8.796 13.743 5.019
107 H ARG 16 H ARG 16 11.697 15.030 5.634
108 HA ARG 16 HA ARG 16 13.603 15.840 3.664
109 HB2 ARG 16 2HB ARG 16 13.629 15.106 6.425
110 HB3 ARG 16 3HB ARG 16 14.818 14.126 5.578
111 HG2 ARG 16 2HG ARG 16 16.074 15.964 4.942
112 HG3 ARG 16 3HG ARG 16 14.726 17.083 5.159
113 HD2 ARG 16 2HD ARG 16 14.963 17.121 7.464
114 HD3 ARG 16 3HD ARG 16 15.824 15.582 7.500
115 HE ARG 16 HE ARG 16 17.783 16.720 7.203
116 HH11 ARG 16 1HH1 ARG 16 15.127 18.794 6.325
117 HH12 ARG 16 2HH1 ARG 16 16.122 20.197 6.116
118 HH21 ARG 16 1HH2 ARG 16 19.102 18.561 6.931
119 HH22 ARG 16 2HH2 ARG 16 18.383 20.063 6.460
120 H ASN 17 H ASN 17 12.546 12.691 4.934
121 HA ASN 17 HA ASN 17 13.379 11.466 2.409
122 HB2 ASN 17 2HB ASN 17 15.097 11.219 4.376
123 HB3 ASN 17 3HB ASN 17 13.958 10.012 4.965
124 HD21 ASN 17 1HD2 ASN 17 13.760 8.081 3.911
125 HD22 ASN 17 2HD2 ASN 17 14.817 7.583 2.639
126 H GLY 18 H GLY 18 12.571 9.116 2.325
127 HA2 GLY 18 2HA GLY 18 10.334 8.403 3.952
128 HA3 GLY 18 3HA GLY 18 9.818 9.055 2.403
129 H LYS 19 H LYS 19 9.574 6.337 3.565
130 HA LYS 19 HA LYS 19 10.417 4.894 1.203
131 HB2 LYS 19 2HB LYS 19 11.232 3.153 3.226
132 HB3 LYS 19 3HB LYS 19 12.267 4.015 2.096
133 HG2 LYS 19 2HG LYS 19 12.426 5.880 3.684
134 HG3 LYS 19 3HG LYS 19 11.425 4.976 4.823
135 HD2 LYS 19 2HD LYS 19 14.019 3.918 3.718
136 HD3 LYS 19 3HD LYS 19 13.921 4.861 5.208
137 HE2 LYS 19 2HE LYS 19 12.789 3.199 6.339
138 HE3 LYS 19 3HE LYS 19 12.161 2.475 4.860
139 HZ1 LYS 19 3HZ LYS 19 14.623 1.955 6.252
140 HZ2 LYS 19 1HZ LYS 19 14.833 2.180 4.589
141 HZ3 LYS 19 2HZ LYS 19 13.777 0.986 5.154
142 H CYS 20 H CYS 20 9.771 2.456 1.535
143 HA CYS 20 HA CYS 20 6.992 2.504 2.401
144 HB2 CYS 20 2HB CYS 20 8.602 0.915 0.514
145 HB3 CYS 20 3HB CYS 20 7.390 -0.005 1.401
146 H ILE 21 H ILE 21 6.102 1.098 3.905
147 HA ILE 21 HA ILE 21 7.984 -0.511 5.488
148 HB ILE 21 HB ILE 21 7.497 1.686 6.611
149 HG12 ILE 21 2HG1 ILE 21 6.307 -0.397 8.364
150 HG13 ILE 21 3HG1 ILE 21 7.893 -0.744 7.683
151 HG21 ILE 21 1HG2 ILE 21 4.845 0.735 7.467
152 HG22 ILE 21 2HG2 ILE 21 5.417 2.371 7.143
153 HG23 ILE 21 3HG2 ILE 21 4.952 1.319 5.806
154 HD11 ILE 21 3HD1 ILE 21 8.030 1.877 8.651
155 HD12 ILE 21 1HD1 ILE 21 7.188 0.939 9.885
156 HD13 ILE 21 2HD1 ILE 21 8.782 0.432 9.326
157 H ASN 22 H ASN 22 6.961 -2.191 6.773
158 HA ASN 22 HA ASN 22 5.340 -3.894 5.451
159 HB2 ASN 22 2HB ASN 22 6.475 -4.402 7.597
160 HB3 ASN 22 3HB ASN 22 5.247 -3.468 8.445
161 HD21 ASN 22 1HD2 ASN 22 6.129 -6.489 7.317
162 HD22 ASN 22 2HD2 ASN 22 4.616 -7.297 7.523
163 H SER 23 H SER 23 4.088 -1.726 7.997
164 HA SER 23 HA SER 23 1.400 -2.187 7.652
165 HB2 SER 23 2HB SER 23 3.031 -0.136 8.888
166 HB3 SER 23 3HB SER 23 1.570 0.559 8.187
167 HG SER 23 HG SER 23 0.586 -0.199 9.870
168 H ASN 24 H ASN 24 3.464 0.081 5.886
169 HA ASN 24 HA ASN 24 2.156 -0.093 3.467
170 HB2 ASN 24 2HB ASN 24 0.741 1.589 5.377
171 HB3 ASN 24 3HB ASN 24 1.182 2.473 3.920
172 HD21 ASN 24 1HD2 ASN 24 -1.387 1.330 5.086
173 HD22 ASN 24 2HD2 ASN 24 -2.103 0.494 3.755
174 H CYS 25 H CYS 25 2.866 2.966 5.113
175 HA CYS 25 HA CYS 25 5.472 3.127 3.835
176 HB2 CYS 25 2HB CYS 25 3.302 4.205 2.517
177 HB3 CYS 25 3HB CYS 25 3.946 5.587 3.398
178 H HIS 26 H HIS 26 6.679 5.080 4.537
179 HA HIS 26 HA HIS 26 5.712 6.514 6.838
180 HB2 HIS 26 2HB HIS 26 7.386 5.723 8.409
181 HB3 HIS 26 3HB HIS 26 6.427 4.361 7.838
182 HD1 HIS 26 HD1 HIS 26 7.916 3.798 5.190
183 HD2 HIS 26 HD2 HIS 26 9.783 4.495 8.835
184 HE1 HIS 26 HE1 HIS 26 10.186 2.732 4.997
185 H CYS 27 H CYS 27 6.668 8.459 6.981
186 HA CYS 27 HA CYS 27 8.901 8.994 5.159
187 HB2 CYS 27 2HB CYS 27 7.192 11.023 6.602
188 HB3 CYS 27 3HB CYS 27 8.249 11.296 5.221
189 H TYR 28 H TYR 28 10.270 10.974 6.039
190 HA TYR 28 HA TYR 28 10.900 10.597 8.872
191 HB2 TYR 28 2HB TYR 28 12.843 10.249 6.589
192 HB3 TYR 28 3HB TYR 28 13.361 10.551 8.244
193 HD1 TYR 28 HD2 TYR 28 11.390 8.183 6.160
194 HD2 TYR 28 HD1 TYR 28 13.586 8.780 9.755
195 HE1 TYR 28 HE2 TYR 28 11.254 5.774 6.636
196 HE2 TYR 28 HE1 TYR 28 13.457 6.372 10.241
197 HH TYR 28 HH TYR 28 12.457 4.428 9.666
198 H TYR 29 H TYR 29 10.905 12.529 9.788
199 HA TYR 29 HA TYR 29 11.431 14.897 8.156
200 HB2 TYR 29 2HB TYR 29 10.472 14.847 11.016
201 HB3 TYR 29 3HB TYR 29 10.346 16.165 9.856
202 HD1 TYR 29 HD2 TYR 29 9.316 14.728 7.482
203 HD2 TYR 29 HD1 TYR 29 8.259 14.378 11.588
204 HE1 TYR 29 HE2 TYR 29 7.076 13.945 6.833
205 HE2 TYR 29 HE1 TYR 29 6.017 13.593 10.951
206 HH TYR 29 HH TYR 29 4.922 12.518 9.024
Start of MODEL 13
1 H1 ALA 1 H ALA 1 -0.933 1.388 -0.602
2 HA ALA 1 HA ALA 1 1.730 0.628 -0.407
3 HB1 ALA 1 1HB ALA 1 0.121 0.620 -2.954
4 HB2 ALA 1 2HB ALA 1 1.461 -0.442 -2.521
5 HB3 ALA 1 3HB ALA 1 -0.074 -0.566 -1.663
6 H CYS 2 H CYS 2 3.496 0.998 -1.939
7 HA CYS 2 HA CYS 2 4.007 3.778 -2.270
8 HB2 CYS 2 2HB CYS 2 5.580 1.502 -3.481
9 HB3 CYS 2 3HB CYS 2 6.156 3.121 -3.099
10 H VAL 3 H VAL 3 3.712 5.066 -3.979
11 HA VAL 3 HA VAL 3 2.888 3.819 -6.521
12 HB VAL 3 HB VAL 3 1.637 5.957 -6.952
13 HG11 VAL 3 1HG1 VAL 3 0.521 3.895 -6.232
14 HG12 VAL 3 2HG1 VAL 3 0.748 4.368 -4.547
15 HG13 VAL 3 3HG1 VAL 3 -0.286 5.331 -5.604
16 HG21 VAL 3 3HG2 VAL 3 1.023 7.270 -4.907
17 HG22 VAL 3 1HG2 VAL 3 2.306 6.416 -4.051
18 HG23 VAL 3 2HG2 VAL 3 2.699 7.451 -5.424
19 H GLU 4 H GLU 4 4.599 6.530 -5.028
20 HA GLU 4 HA GLU 4 6.294 6.694 -7.409
21 HB2 GLU 4 2HB GLU 4 6.181 9.127 -7.448
22 HB3 GLU 4 3HB GLU 4 4.579 8.436 -7.666
23 HG2 GLU 4 2HG GLU 4 4.137 8.839 -5.259
24 HG3 GLU 4 3HG GLU 4 5.693 9.659 -5.154
25 H ASN 5 H ASN 5 6.882 5.475 -4.963
26 HA ASN 5 HA ASN 5 8.574 5.339 -3.449
27 HB2 ASN 5 2HB ASN 5 9.787 7.872 -4.505
28 HB3 ASN 5 3HB ASN 5 10.588 6.426 -3.897
29 HD21 ASN 5 1HD2 ASN 5 10.875 7.936 -6.424
30 HD22 ASN 5 2HD2 ASN 5 10.652 6.769 -7.678
31 H CYS 6 H CYS 6 8.102 5.733 -1.399
32 HA CYS 6 HA CYS 6 6.616 7.833 -0.409
33 HB2 CYS 6 2HB CYS 6 8.266 5.702 0.717
34 HB3 CYS 6 3HB CYS 6 8.231 7.141 1.731
35 H ARG 7 H ARG 7 10.041 7.677 -1.044
36 HA ARG 7 HA ARG 7 10.958 9.808 0.492
37 HB2 ARG 7 2HB ARG 7 11.964 8.167 -1.603
38 HB3 ARG 7 3HB ARG 7 12.306 9.840 -2.024
39 HG2 ARG 7 2HG ARG 7 13.257 10.070 0.324
40 HG3 ARG 7 3HG ARG 7 13.192 8.308 0.397
41 HD2 ARG 7 2HD ARG 7 15.396 9.025 -0.299
42 HD3 ARG 7 3HD ARG 7 14.587 8.195 -1.627
43 HE ARG 7 HE ARG 7 14.013 10.775 -2.122
44 HH11 ARG 7 1HH1 ARG 7 16.995 9.126 -1.410
45 HH12 ARG 7 2HH1 ARG 7 17.972 10.221 -2.332
46 HH21 ARG 7 1HH2 ARG 7 15.288 12.223 -3.338
47 HH22 ARG 7 2HH2 ARG 7 17.000 11.983 -3.427
48 H LYS 8 H LYS 8 10.376 10.004 -3.020
49 HA LYS 8 HA LYS 8 10.225 12.832 -3.017
50 HB2 LYS 8 2HB LYS 8 10.628 11.014 -4.947
51 HB3 LYS 8 3HB LYS 8 8.913 11.309 -5.204
52 HG2 LYS 8 2HG LYS 8 9.343 13.681 -5.499
53 HG3 LYS 8 3HG LYS 8 11.060 13.422 -5.182
54 HD2 LYS 8 2HD LYS 8 10.430 11.607 -7.197
55 HD3 LYS 8 3HD LYS 8 9.561 13.081 -7.633
56 HE2 LYS 8 2HE LYS 8 11.681 14.345 -7.336
57 HE3 LYS 8 3HE LYS 8 12.510 12.814 -7.062
58 HZ1 LYS 8 3HZ LYS 8 11.187 13.740 -9.545
59 HZ2 LYS 8 1HZ LYS 8 11.645 12.129 -9.302
60 HZ3 LYS 8 2HZ LYS 8 12.817 13.349 -9.319
61 H TYR 9 H TYR 9 7.837 10.287 -2.737
62 HA TYR 9 HA TYR 9 5.523 11.767 -3.266
63 HB2 TYR 9 2HB TYR 9 5.273 9.425 -3.150
64 HB3 TYR 9 3HB TYR 9 6.050 9.334 -1.573
65 HD1 TYR 9 HD2 TYR 9 2.989 10.556 -3.291
66 HD2 TYR 9 HD1 TYR 9 4.768 9.373 0.388
67 HE1 TYR 9 HE2 TYR 9 0.782 10.628 -2.208
68 HE2 TYR 9 HE1 TYR 9 2.566 9.441 1.482
69 HH TYR 9 HH TYR 9 -0.111 9.216 0.242
70 H CYS 10 H CYS 10 7.456 11.447 -0.350
71 HA CYS 10 HA CYS 10 5.576 13.080 1.171
72 HB2 CYS 10 2HB CYS 10 7.066 10.972 1.945
73 HB3 CYS 10 3HB CYS 10 8.171 12.277 2.362
74 H GLN 11 H GLN 11 8.787 13.234 -0.241
75 HA GLN 11 HA GLN 11 9.638 15.634 0.952
76 HB2 GLN 11 2HB GLN 11 10.378 14.248 -1.615
77 HB3 GLN 11 3HB GLN 11 11.111 15.776 -1.148
78 HG2 GLN 11 2HG GLN 11 12.303 14.849 0.556
79 HG3 GLN 11 3HG GLN 11 11.126 13.565 0.828
80 HE21 GLN 11 1HE2 GLN 11 13.490 12.622 0.906
81 HE22 GLN 11 2HE2 GLN 11 13.989 11.857 -0.561
82 H ASP 12 H ASP 12 7.378 14.994 -1.566
83 HA ASP 12 HA ASP 12 7.469 17.657 -2.683
84 HB2 ASP 12 2HB ASP 12 6.730 15.318 -3.758
85 HB3 ASP 12 3HB ASP 12 5.152 15.868 -3.203
86 H LYS 13 H LYS 13 6.085 16.234 0.029
87 HA LYS 13 HA LYS 13 4.107 18.409 0.237
88 HB2 LYS 13 2HB LYS 13 2.864 16.855 1.793
89 HB3 LYS 13 3HB LYS 13 2.872 16.384 0.099
90 HG2 LYS 13 2HG LYS 13 4.852 14.894 0.697
91 HG3 LYS 13 3HG LYS 13 4.401 15.182 2.380
92 HD2 LYS 13 2HD LYS 13 2.272 14.327 0.489
93 HD3 LYS 13 3HD LYS 13 3.453 13.121 1.008
94 HE2 LYS 13 2HE LYS 13 1.844 14.852 2.880
95 HE3 LYS 13 3HE LYS 13 1.400 13.210 2.416
96 HZ1 LYS 13 3HZ LYS 13 2.550 13.208 4.521
97 HZ2 LYS 13 1HZ LYS 13 3.876 14.015 3.847
98 HZ3 LYS 13 2HZ LYS 13 3.507 12.439 3.356
99 H GLY 14 H GLY 14 7.039 17.562 1.258
100 HA2 GLY 14 2HA GLY 14 8.084 18.944 2.955
101 HA3 GLY 14 3HA GLY 14 6.613 18.796 3.904
102 H ALA 15 H ALA 15 9.578 17.250 2.933
103 HA ALA 15 HA ALA 15 9.842 15.802 5.314
104 HB1 ALA 15 1HB ALA 15 9.484 13.710 3.315
105 HB2 ALA 15 2HB ALA 15 8.913 13.797 4.982
106 HB3 ALA 15 3HB ALA 15 7.996 14.580 3.694
107 H ARG 16 H ARG 16 11.864 14.884 5.508
108 HA ARG 16 HA ARG 16 13.791 15.672 3.532
109 HB2 ARG 16 2HB ARG 16 13.842 14.584 6.277
110 HB3 ARG 16 3HB ARG 16 15.214 14.148 5.267
111 HG2 ARG 16 2HG ARG 16 16.088 16.198 5.374
112 HG3 ARG 16 3HG ARG 16 14.524 16.978 5.128
113 HD2 ARG 16 2HD ARG 16 14.060 17.064 7.372
114 HD3 ARG 16 3HD ARG 16 15.060 15.659 7.741
115 HE ARG 16 HE ARG 16 16.873 17.505 6.971
116 HH11 ARG 16 1HH1 ARG 16 14.262 17.553 9.274
117 HH12 ARG 16 2HH1 ARG 16 15.037 18.691 10.325
118 HH21 ARG 16 1HH2 ARG 16 17.903 19.004 8.347
119 HH22 ARG 16 2HH2 ARG 16 17.108 19.517 9.796
120 H ASN 17 H ASN 17 12.709 12.550 4.857
121 HA ASN 17 HA ASN 17 13.484 11.290 2.327
122 HB2 ASN 17 2HB ASN 17 15.181 11.014 4.323
123 HB3 ASN 17 3HB ASN 17 14.015 9.816 4.876
124 HD21 ASN 17 1HD2 ASN 17 13.769 7.917 3.755
125 HD22 ASN 17 2HD2 ASN 17 14.853 7.417 2.506
126 H GLY 18 H GLY 18 12.609 8.966 2.254
127 HA2 GLY 18 2HA GLY 18 10.345 8.337 3.885
128 HA3 GLY 18 3HA GLY 18 9.861 8.970 2.319
129 H LYS 19 H LYS 19 9.584 6.273 3.573
130 HA LYS 19 HA LYS 19 10.379 4.762 1.234
131 HB2 LYS 19 2HB LYS 19 11.165 3.063 3.315
132 HB3 LYS 19 3HB LYS 19 12.207 3.850 2.136
133 HG2 LYS 19 2HG LYS 19 12.428 5.777 3.648
134 HG3 LYS 19 3HG LYS 19 11.435 4.933 4.838
135 HD2 LYS 19 2HD LYS 19 13.988 3.793 3.721
136 HD3 LYS 19 3HD LYS 19 13.934 4.784 5.180
137 HE2 LYS 19 2HE LYS 19 12.808 3.178 6.389
138 HE3 LYS 19 3HE LYS 19 12.121 2.426 4.950
139 HZ1 LYS 19 3HZ LYS 19 13.915 1.127 4.668
140 HZ2 LYS 19 1HZ LYS 19 14.170 1.413 6.316
141 HZ3 LYS 19 2HZ LYS 19 15.011 2.317 5.160
142 H CYS 20 H CYS 20 9.684 2.348 1.617
143 HA CYS 20 HA CYS 20 6.913 2.469 2.501
144 HB2 CYS 20 2HB CYS 20 8.454 0.873 0.592
145 HB3 CYS 20 3HB CYS 20 7.331 -0.087 1.549
146 H ILE 21 H ILE 21 6.010 1.140 4.056
147 HA ILE 21 HA ILE 21 7.867 -0.491 5.650
148 HB ILE 21 HB ILE 21 7.452 1.739 6.731
149 HG12 ILE 21 2HG1 ILE 21 6.219 -0.277 8.534
150 HG13 ILE 21 3HG1 ILE 21 7.793 -0.674 7.853
151 HG21 ILE 21 1HG2 ILE 21 5.397 2.497 7.261
152 HG22 ILE 21 2HG2 ILE 21 4.890 1.426 5.956
153 HG23 ILE 21 3HG2 ILE 21 4.782 0.887 7.632
154 HD11 ILE 21 3HD1 ILE 21 8.460 0.362 9.751
155 HD12 ILE 21 1HD1 ILE 21 8.354 1.770 8.696
156 HD13 ILE 21 2HD1 ILE 21 7.041 1.406 9.817
157 H ASN 22 H ASN 22 6.817 -2.117 6.979
158 HA ASN 22 HA ASN 22 5.137 -3.805 5.712
159 HB2 ASN 22 2HB ASN 22 6.063 -3.491 8.402
160 HB3 ASN 22 3HB ASN 22 4.361 -3.943 8.442
161 HD21 ASN 22 1HD2 ASN 22 3.789 -5.779 6.938
162 HD22 ASN 22 2HD2 ASN 22 4.891 -7.109 6.892
163 H SER 23 H SER 23 3.970 -1.550 8.223
164 HA SER 23 HA SER 23 1.267 -1.949 7.916
165 HB2 SER 23 2HB SER 23 1.719 -0.583 9.713
166 HB3 SER 23 3HB SER 23 2.925 0.356 8.832
167 HG SER 23 HG SER 23 0.275 0.826 9.157
168 H ASN 24 H ASN 24 3.368 0.232 6.083
169 HA ASN 24 HA ASN 24 2.034 0.040 3.681
170 HB2 ASN 24 2HB ASN 24 0.675 1.791 5.569
171 HB3 ASN 24 3HB ASN 24 1.123 2.636 4.090
172 HD21 ASN 24 1HD2 ASN 24 0.709 1.147 2.075
173 HD22 ASN 24 2HD2 ASN 24 -0.879 0.469 2.017
174 H CYS 25 H CYS 25 2.830 3.114 5.259
175 HA CYS 25 HA CYS 25 5.426 3.189 3.952
176 HB2 CYS 25 2HB CYS 25 3.259 4.302 2.647
177 HB3 CYS 25 3HB CYS 25 3.968 5.679 3.484
178 H HIS 26 H HIS 26 6.692 5.113 4.612
179 HA HIS 26 HA HIS 26 5.781 6.609 6.900
180 HB2 HIS 26 2HB HIS 26 7.467 5.812 8.456
181 HB3 HIS 26 3HB HIS 26 6.474 4.460 7.922
182 HD1 HIS 26 HD1 HIS 26 7.897 3.802 5.271
183 HD2 HIS 26 HD2 HIS 26 9.861 4.575 8.850
184 HE1 HIS 26 HE1 HIS 26 10.146 2.699 5.055
185 H CYS 27 H CYS 27 6.797 8.530 7.035
186 HA CYS 27 HA CYS 27 9.012 8.997 5.168
187 HB2 CYS 27 2HB CYS 27 7.343 11.085 6.570
188 HB3 CYS 27 3HB CYS 27 8.393 11.306 5.174
189 H TYR 28 H TYR 28 10.443 10.939 5.979
190 HA TYR 28 HA TYR 28 11.073 10.624 8.824
191 HB2 TYR 28 2HB TYR 28 13.003 10.227 6.537
192 HB3 TYR 28 3HB TYR 28 13.525 10.529 8.190
193 HD1 TYR 28 HD2 TYR 28 11.476 8.189 6.144
194 HD2 TYR 28 HD1 TYR 28 13.771 8.753 9.681
195 HE1 TYR 28 HE2 TYR 28 11.306 5.784 6.630
196 HE2 TYR 28 HE1 TYR 28 13.609 6.349 10.177
197 HH TYR 28 HH TYR 28 13.225 4.176 8.641
198 H TYR 29 H TYR 29 11.103 12.572 9.705
199 HA TYR 29 HA TYR 29 11.656 14.904 8.028
200 HB2 TYR 29 2HB TYR 29 10.686 14.918 10.885
201 HB3 TYR 29 3HB TYR 29 10.580 16.216 9.700
202 HD1 TYR 29 HD2 TYR 29 9.535 14.768 7.348
203 HD2 TYR 29 HD1 TYR 29 8.471 14.468 11.457
204 HE1 TYR 29 HE2 TYR 29 7.289 14.001 6.704
205 HE2 TYR 29 HE1 TYR 29 6.222 13.699 10.824
206 HH TYR 29 HH TYR 29 5.130 12.599 8.887
Start of MODEL 14
1 H1 ALA 1 H ALA 1 -0.577 1.428 0.054
2 HA ALA 1 HA ALA 1 1.905 0.693 -0.397
3 HB1 ALA 1 1HB ALA 1 1.356 0.122 -2.728
4 HB2 ALA 1 2HB ALA 1 0.058 -0.298 -1.610
5 HB3 ALA 1 3HB ALA 1 -0.081 1.139 -2.622
6 H CYS 2 H CYS 2 3.274 1.078 -2.502
7 HA CYS 2 HA CYS 2 3.989 3.914 -2.467
8 HB2 CYS 2 2HB CYS 2 5.540 1.645 -3.719
9 HB3 CYS 2 3HB CYS 2 6.131 3.251 -3.304
10 H VAL 3 H VAL 3 3.792 5.226 -4.185
11 HA VAL 3 HA VAL 3 2.963 4.023 -6.746
12 HB VAL 3 HB VAL 3 1.596 6.037 -7.162
13 HG11 VAL 3 1HG1 VAL 3 0.955 3.846 -5.669
14 HG12 VAL 3 2HG1 VAL 3 0.460 5.167 -4.608
15 HG13 VAL 3 3HG1 VAL 3 -0.196 5.053 -6.242
16 HG21 VAL 3 3HG2 VAL 3 2.181 7.839 -5.955
17 HG22 VAL 3 1HG2 VAL 3 1.102 7.166 -4.733
18 HG23 VAL 3 2HG2 VAL 3 2.837 6.867 -4.638
19 H GLU 4 H GLU 4 4.708 6.606 -5.121
20 HA GLU 4 HA GLU 4 6.382 6.918 -7.487
21 HB2 GLU 4 2HB GLU 4 6.223 9.347 -7.471
22 HB3 GLU 4 3HB GLU 4 4.636 8.634 -7.725
23 HG2 GLU 4 2HG GLU 4 4.165 8.968 -5.309
24 HG3 GLU 4 3HG GLU 4 5.700 9.825 -5.177
25 H ASN 5 H ASN 5 6.950 5.651 -5.058
26 HA ASN 5 HA ASN 5 8.619 5.510 -3.519
27 HB2 ASN 5 2HB ASN 5 9.810 8.084 -4.497
28 HB3 ASN 5 3HB ASN 5 10.623 6.635 -3.912
29 HD21 ASN 5 1HD2 ASN 5 10.918 8.215 -6.399
30 HD22 ASN 5 2HD2 ASN 5 10.734 7.074 -7.683
31 H CYS 6 H CYS 6 8.111 5.851 -1.468
32 HA CYS 6 HA CYS 6 6.571 7.897 -0.454
33 HB2 CYS 6 2HB CYS 6 8.239 5.772 0.644
34 HB3 CYS 6 3HB CYS 6 8.198 7.193 1.683
35 H ARG 7 H ARG 7 10.011 7.828 -1.035
36 HA ARG 7 HA ARG 7 10.854 9.953 0.547
37 HB2 ARG 7 2HB ARG 7 11.928 8.373 -1.563
38 HB3 ARG 7 3HB ARG 7 12.243 10.061 -1.943
39 HG2 ARG 7 2HG ARG 7 13.048 10.154 0.547
40 HG3 ARG 7 3HG ARG 7 13.229 8.412 0.328
41 HD2 ARG 7 2HD ARG 7 14.307 9.854 -1.925
42 HD3 ARG 7 3HD ARG 7 15.031 10.412 -0.417
43 HE ARG 7 HE ARG 7 15.155 7.716 -0.209
44 HH11 ARG 7 1HH1 ARG 7 16.160 9.984 -2.651
45 HH12 ARG 7 2HH1 ARG 7 17.486 9.011 -3.195
46 HH21 ARG 7 1HH2 ARG 7 16.898 6.425 -0.916
47 HH22 ARG 7 2HH2 ARG 7 17.904 6.987 -2.208
48 H LYS 8 H LYS 8 10.338 10.202 -2.971
49 HA LYS 8 HA LYS 8 10.124 13.022 -2.929
50 HB2 LYS 8 2HB LYS 8 10.582 11.245 -4.881
51 HB3 LYS 8 3HB LYS 8 8.862 11.498 -5.148
52 HG2 LYS 8 2HG LYS 8 9.390 13.287 -6.339
53 HG3 LYS 8 3HG LYS 8 9.929 14.055 -4.844
54 HD2 LYS 8 2HD LYS 8 11.779 14.233 -6.255
55 HD3 LYS 8 3HD LYS 8 12.151 12.825 -5.258
56 HE2 LYS 8 2HE LYS 8 10.651 12.127 -7.645
57 HE3 LYS 8 3HE LYS 8 12.168 12.940 -8.024
58 HZ1 LYS 8 3HZ LYS 8 13.362 11.195 -7.336
59 HZ2 LYS 8 1HZ LYS 8 11.929 10.315 -7.517
60 HZ3 LYS 8 2HZ LYS 8 12.377 10.897 -5.994
61 H TYR 9 H TYR 9 7.781 10.433 -2.695
62 HA TYR 9 HA TYR 9 5.445 11.884 -3.226
63 HB2 TYR 9 2HB TYR 9 5.225 9.540 -3.157
64 HB3 TYR 9 3HB TYR 9 6.001 9.425 -1.582
65 HD1 TYR 9 HD2 TYR 9 2.922 10.626 -3.280
66 HD2 TYR 9 HD1 TYR 9 4.719 9.415 0.382
67 HE1 TYR 9 HE2 TYR 9 0.714 10.641 -2.198
68 HE2 TYR 9 HE1 TYR 9 2.515 9.425 1.473
69 HH TYR 9 HH TYR 9 -0.303 10.720 -0.088
70 H CYS 10 H CYS 10 7.373 11.561 -0.311
71 HA CYS 10 HA CYS 10 5.448 13.124 1.230
72 HB2 CYS 10 2HB CYS 10 6.984 11.033 1.973
73 HB3 CYS 10 3HB CYS 10 8.049 12.359 2.429
74 H GLN 11 H GLN 11 8.644 13.375 -0.189
75 HA GLN 11 HA GLN 11 9.461 15.759 1.060
76 HB2 GLN 11 2HB GLN 11 10.203 14.473 -1.561
77 HB3 GLN 11 3HB GLN 11 10.927 15.984 -1.027
78 HG2 GLN 11 2HG GLN 11 12.127 14.990 0.634
79 HG3 GLN 11 3HG GLN 11 10.962 13.683 0.845
80 HE21 GLN 11 1HE2 GLN 11 13.284 12.704 0.885
81 HE22 GLN 11 2HE2 GLN 11 13.809 12.036 -0.619
82 H ASP 12 H ASP 12 7.201 15.140 -1.466
83 HA ASP 12 HA ASP 12 7.230 17.833 -2.509
84 HB2 ASP 12 2HB ASP 12 6.499 15.474 -3.604
85 HB3 ASP 12 3HB ASP 12 4.924 16.066 -3.085
86 H LYS 13 H LYS 13 5.890 16.308 0.170
87 HA LYS 13 HA LYS 13 3.872 18.440 0.449
88 HB2 LYS 13 2HB LYS 13 2.655 16.822 1.954
89 HB3 LYS 13 3HB LYS 13 2.677 16.392 0.249
90 HG2 LYS 13 2HG LYS 13 4.692 14.932 0.828
91 HG3 LYS 13 3HG LYS 13 4.209 15.160 2.511
92 HD2 LYS 13 2HD LYS 13 2.196 14.262 0.490
93 HD3 LYS 13 3HD LYS 13 3.336 13.099 1.171
94 HE2 LYS 13 2HE LYS 13 1.458 14.858 2.747
95 HE3 LYS 13 3HE LYS 13 1.223 13.143 2.414
96 HZ1 LYS 13 3HZ LYS 13 2.132 13.315 4.572
97 HZ2 LYS 13 1HZ LYS 13 3.340 14.388 4.073
98 HZ3 LYS 13 2HZ LYS 13 3.389 12.771 3.581
99 H GLY 14 H GLY 14 6.823 17.640 1.425
100 HA2 GLY 14 2HA GLY 14 7.854 18.973 3.162
101 HA3 GLY 14 3HA GLY 14 6.386 18.781 4.109
102 H ALA 15 H ALA 15 9.371 17.303 3.099
103 HA ALA 15 HA ALA 15 9.651 15.792 5.439
104 HB1 ALA 15 1HB ALA 15 9.306 13.774 3.349
105 HB2 ALA 15 2HB ALA 15 8.790 13.764 5.036
106 HB3 ALA 15 3HB ALA 15 7.815 14.590 3.820
107 H ARG 16 H ARG 16 11.706 15.008 5.638
108 HA ARG 16 HA ARG 16 13.611 15.838 3.671
109 HB2 ARG 16 2HB ARG 16 13.659 14.820 6.416
110 HB3 ARG 16 3HB ARG 16 15.003 14.248 5.436
111 HG2 ARG 16 2HG ARG 16 15.968 16.278 5.332
112 HG3 ARG 16 3HG ARG 16 14.424 17.127 5.250
113 HD2 ARG 16 2HD ARG 16 14.342 17.431 7.470
114 HD3 ARG 16 3HD ARG 16 14.909 15.795 7.806
115 HE ARG 16 HE ARG 16 17.047 16.605 7.986
116 HH11 ARG 16 1HH1 ARG 16 15.014 19.022 6.522
117 HH12 ARG 16 2HH1 ARG 16 16.213 20.269 6.607
118 HH21 ARG 16 1HH2 ARG 16 18.634 18.239 8.104
119 HH22 ARG 16 2HH2 ARG 16 18.272 19.823 7.506
120 H ASN 17 H ASN 17 12.565 12.679 4.927
121 HA ASN 17 HA ASN 17 13.385 11.473 2.387
122 HB2 ASN 17 2HB ASN 17 15.099 11.205 4.358
123 HB3 ASN 17 3HB ASN 17 13.958 9.990 4.927
124 HD21 ASN 17 1HD2 ASN 17 13.754 8.077 3.837
125 HD22 ASN 17 2HD2 ASN 17 14.820 7.596 2.566
126 H GLY 18 H GLY 18 12.568 9.128 2.283
127 HA2 GLY 18 2HA GLY 18 10.329 8.409 3.905
128 HA3 GLY 18 3HA GLY 18 9.816 9.073 2.360
129 H LYS 19 H LYS 19 9.572 6.346 3.510
130 HA LYS 19 HA LYS 19 10.407 4.918 1.135
131 HB2 LYS 19 2HB LYS 19 11.221 3.164 3.150
132 HB3 LYS 19 3HB LYS 19 12.255 4.026 2.018
133 HG2 LYS 19 2HG LYS 19 12.424 5.886 3.612
134 HG3 LYS 19 3HG LYS 19 11.427 4.979 4.753
135 HD2 LYS 19 2HD LYS 19 14.014 3.922 3.631
136 HD3 LYS 19 3HD LYS 19 13.925 4.858 5.125
137 HE2 LYS 19 2HE LYS 19 12.798 3.193 6.255
138 HE3 LYS 19 3HE LYS 19 12.159 2.477 4.776
139 HZ1 LYS 19 3HZ LYS 19 13.815 1.031 4.843
140 HZ2 LYS 19 1HZ LYS 19 14.486 1.786 6.201
141 HZ3 LYS 19 2HZ LYS 19 14.928 2.290 4.648
142 H CYS 20 H CYS 20 9.756 2.479 1.450
143 HA CYS 20 HA CYS 20 6.979 2.526 2.325
144 HB2 CYS 20 2HB CYS 20 8.578 0.959 0.415
145 HB3 CYS 20 3HB CYS 20 7.384 0.020 1.306
146 H ILE 21 H ILE 21 6.090 1.116 3.824
147 HA ILE 21 HA ILE 21 7.973 -0.511 5.389
148 HB ILE 21 HB ILE 21 7.496 1.680 6.528
149 HG12 ILE 21 2HG1 ILE 21 6.306 -0.412 8.271
150 HG13 ILE 21 3HG1 ILE 21 7.889 -0.758 7.583
151 HG21 ILE 21 1HG2 ILE 21 4.947 1.324 5.729
152 HG22 ILE 21 2HG2 ILE 21 4.844 0.729 7.385
153 HG23 ILE 21 3HG2 ILE 21 5.418 2.366 7.072
154 HD11 ILE 21 3HD1 ILE 21 8.383 1.685 8.490
155 HD12 ILE 21 1HD1 ILE 21 7.093 1.242 9.608
156 HD13 ILE 21 2HD1 ILE 21 8.545 0.246 9.498
157 H ASN 22 H ASN 22 6.950 -2.196 6.666
158 HA ASN 22 HA ASN 22 5.320 -3.886 5.337
159 HB2 ASN 22 2HB ASN 22 5.542 -3.426 8.309
160 HB3 ASN 22 3HB ASN 22 4.585 -4.741 7.634
161 HD21 ASN 22 1HD2 ASN 22 5.874 -6.319 8.543
162 HD22 ASN 22 2HD2 ASN 22 7.469 -6.658 7.972
163 H SER 23 H SER 23 4.081 -1.734 7.902
164 HA SER 23 HA SER 23 1.391 -2.184 7.562
165 HB2 SER 23 2HB SER 23 1.625 0.576 8.102
166 HB3 SER 23 3HB SER 23 1.394 -0.728 9.265
167 HG SER 23 HG SER 23 3.250 0.397 9.806
168 H ASN 24 H ASN 24 3.456 0.091 5.805
169 HA ASN 24 HA ASN 24 2.140 -0.063 3.390
170 HB2 ASN 24 2HB ASN 24 0.735 1.608 5.316
171 HB3 ASN 24 3HB ASN 24 1.174 2.503 3.863
172 HD21 ASN 24 1HD2 ASN 24 -1.427 1.527 4.936
173 HD22 ASN 24 2HD2 ASN 24 -2.136 0.637 3.636
174 H CYS 25 H CYS 25 2.863 2.983 5.055
175 HA CYS 25 HA CYS 25 5.466 3.146 3.771
176 HB2 CYS 25 2HB CYS 25 3.291 4.242 2.470
177 HB3 CYS 25 3HB CYS 25 3.952 5.614 3.353
178 H HIS 26 H HIS 26 6.680 5.089 4.484
179 HA HIS 26 HA HIS 26 5.722 6.510 6.798
180 HB2 HIS 26 2HB HIS 26 7.402 5.706 8.357
181 HB3 HIS 26 3HB HIS 26 6.439 4.349 7.780
182 HD1 HIS 26 HD1 HIS 26 7.915 3.798 5.124
183 HD2 HIS 26 HD2 HIS 26 9.802 4.479 8.762
184 HE1 HIS 26 HE1 HIS 26 10.183 2.733 4.914
185 H CYS 27 H CYS 27 6.685 8.450 6.960
186 HA CYS 27 HA CYS 27 8.913 8.997 5.133
187 HB2 CYS 27 2HB CYS 27 7.208 11.021 6.588
188 HB3 CYS 27 3HB CYS 27 8.259 11.297 5.203
189 H TYR 28 H TYR 28 10.291 10.962 6.017
190 HA TYR 28 HA TYR 28 10.921 10.572 8.849
191 HB2 TYR 28 2HB TYR 28 12.862 10.244 6.562
192 HB3 TYR 28 3HB TYR 28 13.380 10.531 8.219
193 HD1 TYR 28 HD1 TYR 28 11.397 8.185 6.119
194 HD2 TYR 28 HD2 TYR 28 13.615 8.742 9.707
195 HE1 TYR 28 HE1 TYR 28 11.262 5.771 6.570
196 HE2 TYR 28 HE2 TYR 28 13.487 6.330 10.168
197 HH TYR 28 HH TYR 28 11.799 4.409 9.463
198 H TYR 29 H TYR 29 10.921 12.499 9.777
199 HA TYR 29 HA TYR 29 11.479 14.873 8.159
200 HB2 TYR 29 2HB TYR 29 10.427 14.820 10.985
201 HB3 TYR 29 3HB TYR 29 10.341 16.140 9.824
202 HD1 TYR 29 HD2 TYR 29 9.384 14.716 7.415
203 HD2 TYR 29 HD1 TYR 29 8.198 14.346 11.484
204 HE1 TYR 29 HE2 TYR 29 7.166 13.939 6.691
205 HE2 TYR 29 HE1 TYR 29 5.976 13.566 10.771
206 HH TYR 29 HH TYR 29 4.518 13.717 8.797
Start of MODEL 15
1 H1 ALA 1 H ALA 1 -0.058 0.360 -0.731
2 HA ALA 1 HA ALA 1 2.660 -0.333 -0.981
3 HB1 ALA 1 1HB ALA 1 0.517 -1.072 -2.327
4 HB2 ALA 1 2HB ALA 1 1.040 0.215 -3.414
5 HB3 ALA 1 3HB ALA 1 2.123 -1.130 -3.055
6 H CYS 2 H CYS 2 3.879 0.520 -3.063
7 HA CYS 2 HA CYS 2 4.157 3.411 -2.667
8 HB2 CYS 2 2HB CYS 2 6.061 1.554 -4.100
9 HB3 CYS 2 3HB CYS 2 6.382 3.193 -3.542
10 H VAL 3 H VAL 3 4.044 4.869 -4.331
11 HA VAL 3 HA VAL 3 3.186 3.808 -6.946
12 HB VAL 3 HB VAL 3 1.791 5.827 -7.217
13 HG11 VAL 3 1HG1 VAL 3 -0.012 4.897 -6.186
14 HG12 VAL 3 2HG1 VAL 3 1.122 3.558 -6.002
15 HG13 VAL 3 3HG1 VAL 3 0.839 4.666 -4.659
16 HG21 VAL 3 3HG2 VAL 3 3.078 6.527 -4.679
17 HG22 VAL 3 1HG2 VAL 3 2.378 7.564 -5.922
18 HG23 VAL 3 2HG2 VAL 3 1.338 6.809 -4.715
19 H GLU 4 H GLU 4 4.942 6.307 -5.206
20 HA GLU 4 HA GLU 4 6.603 6.747 -7.550
21 HB2 GLU 4 2HB GLU 4 6.366 9.165 -7.509
22 HB3 GLU 4 3HB GLU 4 4.800 8.412 -7.776
23 HG2 GLU 4 2HG GLU 4 4.280 8.720 -5.385
24 HG3 GLU 4 3HG GLU 4 5.817 9.561 -5.187
25 H ASN 5 H ASN 5 7.125 5.475 -5.083
26 HA ASN 5 HA ASN 5 8.763 5.360 -3.508
27 HB2 ASN 5 2HB ASN 5 9.978 7.922 -4.473
28 HB3 ASN 5 3HB ASN 5 10.772 6.459 -3.898
29 HD21 ASN 5 1HD2 ASN 5 11.045 8.093 -6.380
30 HD22 ASN 5 2HD2 ASN 5 10.886 6.958 -7.673
31 H CYS 6 H CYS 6 8.173 5.721 -1.482
32 HA CYS 6 HA CYS 6 6.636 7.805 -0.538
33 HB2 CYS 6 2HB CYS 6 8.184 5.637 0.621
34 HB3 CYS 6 3HB CYS 6 8.200 7.065 1.650
35 H ARG 7 H ARG 7 10.084 7.669 -1.021
36 HA ARG 7 HA ARG 7 10.949 9.756 0.588
37 HB2 ARG 7 2HB ARG 7 12.018 8.184 -1.515
38 HB3 ARG 7 3HB ARG 7 12.337 9.866 -1.914
39 HG2 ARG 7 2HG ARG 7 13.250 10.089 0.450
40 HG3 ARG 7 3HG ARG 7 13.217 8.325 0.502
41 HD2 ARG 7 2HD ARG 7 15.418 9.113 -0.155
42 HD3 ARG 7 3HD ARG 7 14.650 8.251 -1.487
43 HE ARG 7 HE ARG 7 14.020 10.856 -1.943
44 HH11 ARG 7 1HH1 ARG 7 16.996 9.127 -1.423
45 HH12 ARG 7 2HH1 ARG 7 17.943 10.202 -2.397
46 HH21 ARG 7 1HH2 ARG 7 15.255 12.278 -3.228
47 HH22 ARG 7 2HH2 ARG 7 16.952 11.995 -3.423
48 H LYS 8 H LYS 8 10.453 10.079 -2.927
49 HA LYS 8 HA LYS 8 10.291 12.901 -2.834
50 HB2 LYS 8 2HB LYS 8 10.728 11.158 -4.817
51 HB3 LYS 8 3HB LYS 8 9.012 11.435 -5.083
52 HG2 LYS 8 2HG LYS 8 9.359 13.764 -5.420
53 HG3 LYS 8 3HG LYS 8 11.039 13.649 -4.891
54 HD2 LYS 8 2HD LYS 8 11.036 13.776 -7.276
55 HD3 LYS 8 3HD LYS 8 11.456 12.120 -6.830
56 HE2 LYS 8 2HE LYS 8 8.587 12.716 -7.262
57 HE3 LYS 8 3HE LYS 8 9.625 12.708 -8.687
58 HZ1 LYS 8 3HZ LYS 8 8.559 10.518 -7.318
59 HZ2 LYS 8 1HZ LYS 8 10.239 10.464 -7.125
60 HZ3 LYS 8 2HZ LYS 8 9.567 10.510 -8.677
61 H TYR 9 H TYR 9 7.880 10.349 -2.752
62 HA TYR 9 HA TYR 9 5.585 11.862 -3.230
63 HB2 TYR 9 2HB TYR 9 5.345 9.510 -3.222
64 HB3 TYR 9 3HB TYR 9 6.061 9.360 -1.621
65 HD1 TYR 9 HD1 TYR 9 3.039 10.397 -3.467
66 HD2 TYR 9 HD2 TYR 9 4.736 9.588 0.349
67 HE1 TYR 9 HE1 TYR 9 0.792 10.434 -2.467
68 HE2 TYR 9 HE2 TYR 9 2.494 9.621 1.360
69 HH TYR 9 HH TYR 9 0.329 9.988 1.025
70 H CYS 10 H CYS 10 7.507 11.464 -0.329
71 HA CYS 10 HA CYS 10 5.591 13.005 1.248
72 HB2 CYS 10 2HB CYS 10 7.051 10.874 1.964
73 HB3 CYS 10 3HB CYS 10 8.189 12.142 2.408
74 H GLN 11 H GLN 11 8.795 13.244 -0.154
75 HA GLN 11 HA GLN 11 9.609 15.609 1.154
76 HB2 GLN 11 2HB GLN 11 10.430 14.337 -1.452
77 HB3 GLN 11 3HB GLN 11 11.163 15.821 -0.858
78 HG2 GLN 11 2HG GLN 11 12.261 14.767 0.842
79 HG3 GLN 11 3HG GLN 11 11.071 13.471 0.955
80 HE21 GLN 11 1HE2 GLN 11 13.646 12.776 1.029
81 HE22 GLN 11 2HE2 GLN 11 14.131 12.024 -0.448
82 H ASP 12 H ASP 12 7.364 15.027 -1.366
83 HA ASP 12 HA ASP 12 7.481 17.717 -2.437
84 HB2 ASP 12 2HB ASP 12 6.766 15.377 -3.567
85 HB3 ASP 12 3HB ASP 12 5.178 15.961 -3.077
86 H LYS 13 H LYS 13 6.080 16.234 0.219
87 HA LYS 13 HA LYS 13 4.024 18.339 0.409
88 HB2 LYS 13 2HB LYS 13 2.862 16.740 1.995
89 HB3 LYS 13 3HB LYS 13 2.868 16.273 0.300
90 HG2 LYS 13 2HG LYS 13 4.881 14.840 0.838
91 HG3 LYS 13 3HG LYS 13 4.520 15.145 2.539
92 HD2 LYS 13 2HD LYS 13 2.438 14.082 0.654
93 HD3 LYS 13 3HD LYS 13 3.576 13.010 1.474
94 HE2 LYS 13 2HE LYS 13 1.664 14.930 2.801
95 HE3 LYS 13 3HE LYS 13 1.479 13.179 2.709
96 HZ1 LYS 13 3HZ LYS 13 4.002 13.735 3.779
97 HZ2 LYS 13 1HZ LYS 13 2.682 12.998 4.540
98 HZ3 LYS 13 2HZ LYS 13 2.875 14.677 4.619
99 H GLY 14 H GLY 14 6.972 17.438 1.526
100 HA2 GLY 14 2HA GLY 14 7.959 18.954 3.187
101 HA3 GLY 14 3HA GLY 14 6.491 18.749 4.130
102 H ALA 15 H ALA 15 9.495 17.276 3.129
103 HA ALA 15 HA ALA 15 9.846 15.879 5.530
104 HB1 ALA 15 1HB ALA 15 8.979 13.837 5.248
105 HB2 ALA 15 2HB ALA 15 7.994 14.583 3.990
106 HB3 ALA 15 3HB ALA 15 9.489 13.752 3.562
107 H ARG 16 H ARG 16 11.886 14.969 5.687
108 HA ARG 16 HA ARG 16 13.762 15.796 3.677
109 HB2 ARG 16 2HB ARG 16 13.925 14.574 6.390
110 HB3 ARG 16 3HB ARG 16 15.314 14.402 5.326
111 HG2 ARG 16 2HG ARG 16 15.643 16.730 5.208
112 HG3 ARG 16 3HG ARG 16 14.058 17.065 5.908
113 HD2 ARG 16 2HD ARG 16 15.069 15.645 7.910
114 HD3 ARG 16 3HD ARG 16 16.585 16.225 7.222
115 HE ARG 16 HE ARG 16 14.612 17.773 8.634
116 HH11 ARG 16 1HH1 ARG 16 17.253 17.858 6.368
117 HH12 ARG 16 2HH1 ARG 16 17.637 19.519 6.678
118 HH21 ARG 16 1HH2 ARG 16 15.107 19.961 9.051
119 HH22 ARG 16 2HH2 ARG 16 16.416 20.714 8.205
120 H ASN 17 H ASN 17 12.604 12.685 4.928
121 HA ASN 17 HA ASN 17 13.361 11.435 2.405
122 HB2 ASN 17 2HB ASN 17 15.163 11.205 4.334
123 HB3 ASN 17 3HB ASN 17 14.073 9.939 4.890
124 HD21 ASN 17 1HD2 ASN 17 13.968 8.038 3.805
125 HD22 ASN 17 2HD2 ASN 17 14.984 7.639 2.466
126 H GLY 18 H GLY 18 12.667 8.957 2.604
127 HA2 GLY 18 2HA GLY 18 10.561 8.209 4.281
128 HA3 GLY 18 3HA GLY 18 9.856 8.972 2.864
129 H LYS 19 H LYS 19 9.631 6.208 3.757
130 HA LYS 19 HA LYS 19 10.327 4.947 1.239
131 HB2 LYS 19 2HB LYS 19 11.075 3.020 3.149
132 HB3 LYS 19 3HB LYS 19 12.114 3.844 1.993
133 HG2 LYS 19 2HG LYS 19 12.468 5.644 3.640
134 HG3 LYS 19 3HG LYS 19 11.496 4.737 4.802
135 HD2 LYS 19 2HD LYS 19 13.984 3.659 3.483
136 HD3 LYS 19 3HD LYS 19 13.970 4.452 5.060
137 HE2 LYS 19 2HE LYS 19 11.980 2.329 4.790
138 HE3 LYS 19 3HE LYS 19 13.642 1.766 4.619
139 HZ1 LYS 19 3HZ LYS 19 12.586 1.871 6.949
140 HZ2 LYS 19 1HZ LYS 19 12.903 3.531 6.858
141 HZ3 LYS 19 2HZ LYS 19 14.174 2.420 6.750
142 H CYS 20 H CYS 20 9.632 2.452 1.514
143 HA CYS 20 HA CYS 20 6.836 2.587 2.315
144 HB2 CYS 20 2HB CYS 20 8.454 0.861 0.514
145 HB3 CYS 20 3HB CYS 20 7.039 0.131 1.266
146 H ILE 21 H ILE 21 5.875 1.263 3.822
147 HA ILE 21 HA ILE 21 7.643 -0.489 5.388
148 HB ILE 21 HB ILE 21 7.295 1.713 6.542
149 HG12 ILE 21 2HG1 ILE 21 5.937 -0.313 8.243
150 HG13 ILE 21 3HG1 ILE 21 7.511 -0.746 7.586
151 HG21 ILE 21 1HG2 ILE 21 4.575 0.955 7.367
152 HG22 ILE 21 2HG2 ILE 21 5.264 2.545 7.042
153 HG23 ILE 21 3HG2 ILE 21 4.733 1.524 5.705
154 HD11 ILE 21 3HD1 ILE 21 8.351 0.274 9.370
155 HD12 ILE 21 1HD1 ILE 21 7.928 1.783 8.562
156 HD13 ILE 21 2HD1 ILE 21 6.823 1.073 9.739
157 H ASN 22 H ASN 22 6.518 -2.125 6.634
158 HA ASN 22 HA ASN 22 4.795 -3.700 5.282
159 HB2 ASN 22 2HB ASN 22 5.056 -3.289 8.256
160 HB3 ASN 22 3HB ASN 22 3.996 -4.521 7.579
161 HD21 ASN 22 1HD2 ASN 22 6.534 -4.590 9.191
162 HD22 ASN 22 2HD2 ASN 22 7.563 -5.670 8.320
163 H SER 23 H SER 23 3.681 -1.499 7.863
164 HA SER 23 HA SER 23 0.969 -1.788 7.517
165 HB2 SER 23 2HB SER 23 2.327 -0.382 9.247
166 HB3 SER 23 3HB SER 23 2.114 0.930 8.087
167 HG SER 23 HG SER 23 0.305 1.143 9.179
168 H ASN 24 H ASN 24 3.166 0.381 5.786
169 HA ASN 24 HA ASN 24 1.857 0.323 3.364
170 HB2 ASN 24 2HB ASN 24 0.529 2.046 5.299
171 HB3 ASN 24 3HB ASN 24 1.023 2.931 3.859
172 HD21 ASN 24 1HD2 ASN 24 -1.557 1.665 5.098
173 HD22 ASN 24 2HD2 ASN 24 -2.333 0.987 3.711
174 H CYS 25 H CYS 25 2.724 3.314 5.059
175 HA CYS 25 HA CYS 25 5.338 3.354 3.784
176 HB2 CYS 25 2HB CYS 25 3.210 4.600 2.520
177 HB3 CYS 25 3HB CYS 25 3.984 5.912 3.403
178 H HIS 26 H HIS 26 6.656 5.214 4.529
179 HA HIS 26 HA HIS 26 5.771 6.638 6.873
180 HB2 HIS 26 2HB HIS 26 7.423 5.728 8.404
181 HB3 HIS 26 3HB HIS 26 6.395 4.429 7.808
182 HD1 HIS 26 HD1 HIS 26 7.791 3.788 5.162
183 HD2 HIS 26 HD2 HIS 26 9.803 4.460 8.735
184 HE1 HIS 26 HE1 HIS 26 10.016 2.644 4.907
185 H CYS 27 H CYS 27 6.753 8.558 6.964
186 HA CYS 27 HA CYS 27 9.009 9.033 5.165
187 HB2 CYS 27 2HB CYS 27 7.408 11.095 6.683
188 HB3 CYS 27 3HB CYS 27 8.458 11.359 5.294
189 H TYR 28 H TYR 28 10.463 10.942 6.081
190 HA TYR 28 HA TYR 28 11.122 10.455 8.890
191 HB2 TYR 28 2HB TYR 28 13.010 10.097 6.564
192 HB3 TYR 28 3HB TYR 28 13.572 10.345 8.213
193 HD1 TYR 28 HD1 TYR 28 11.478 8.094 6.120
194 HD2 TYR 28 HD2 TYR 28 13.761 8.534 9.684
195 HE1 TYR 28 HE1 TYR 28 11.267 5.680 6.547
196 HE2 TYR 28 HE2 TYR 28 13.557 6.122 10.119
197 HH TYR 28 HH TYR 28 12.794 4.175 9.380
198 H TYR 29 H TYR 29 11.308 12.336 9.891
199 HA TYR 29 HA TYR 29 11.937 14.728 8.311
200 HB2 TYR 29 2HB TYR 29 10.836 14.679 11.118
201 HB3 TYR 29 3HB TYR 29 10.819 16.013 9.970
202 HD1 TYR 29 HD1 TYR 29 9.848 14.628 7.532
203 HD2 TYR 29 HD2 TYR 29 8.573 14.320 11.580
204 HE1 TYR 29 HE1 TYR 29 7.612 13.946 6.769
205 HE2 TYR 29 HE2 TYR 29 6.333 13.636 10.828
206 HH TYR 29 HH TYR 29 5.196 12.775 8.976
Start of MODEL 16
1 H1 ALA 1 H ALA 1 -0.350 1.466 0.327
2 HA ALA 1 HA ALA 1 1.683 0.733 -0.632
3 HB1 ALA 1 1HB ALA 1 1.118 -0.136 -2.791
4 HB2 ALA 1 2HB ALA 1 -0.319 -0.209 -1.771
5 HB3 ALA 1 3HB ALA 1 -0.166 1.057 -2.989
6 H CYS 2 H CYS 2 3.465 1.128 -1.990
7 HA CYS 2 HA CYS 2 4.081 3.870 -2.376
8 HB2 CYS 2 2HB CYS 2 5.559 1.507 -3.543
9 HB3 CYS 2 3HB CYS 2 6.203 3.111 -3.207
10 H VAL 3 H VAL 3 3.744 5.156 -4.067
11 HA VAL 3 HA VAL 3 2.969 3.916 -6.627
12 HB VAL 3 HB VAL 3 1.699 6.043 -7.062
13 HG11 VAL 3 1HG1 VAL 3 0.112 4.540 -6.581
14 HG12 VAL 3 2HG1 VAL 3 1.014 3.890 -5.211
15 HG13 VAL 3 3HG1 VAL 3 0.027 5.338 -5.012
16 HG21 VAL 3 3HG2 VAL 3 2.718 7.537 -5.506
17 HG22 VAL 3 1HG2 VAL 3 1.037 7.330 -5.015
18 HG23 VAL 3 2HG2 VAL 3 2.320 6.487 -4.147
19 H GLU 4 H GLU 4 4.622 6.641 -5.094
20 HA GLU 4 HA GLU 4 6.341 6.845 -7.456
21 HB2 GLU 4 2HB GLU 4 6.210 9.279 -7.458
22 HB3 GLU 4 3HB GLU 4 4.617 8.578 -7.704
23 HG2 GLU 4 2HG GLU 4 4.163 8.929 -5.282
24 HG3 GLU 4 3HG GLU 4 5.696 9.791 -5.174
25 H ASN 5 H ASN 5 6.935 5.590 -5.040
26 HA ASN 5 HA ASN 5 8.619 5.447 -3.516
27 HB2 ASN 5 2HB ASN 5 9.806 8.019 -4.499
28 HB3 ASN 5 3HB ASN 5 10.620 6.563 -3.933
29 HD21 ASN 5 1HD2 ASN 5 10.874 8.166 -6.418
30 HD22 ASN 5 2HD2 ASN 5 10.677 7.032 -7.706
31 H CYS 6 H CYS 6 8.116 5.786 -1.464
32 HA CYS 6 HA CYS 6 6.600 7.850 -0.442
33 HB2 CYS 6 2HB CYS 6 8.304 5.734 0.671
34 HB3 CYS 6 3HB CYS 6 8.139 7.139 1.718
35 H ARG 7 H ARG 7 10.031 7.739 -1.048
36 HA ARG 7 HA ARG 7 10.926 9.826 0.552
37 HB2 ARG 7 2HB ARG 7 11.928 8.292 -1.647
38 HB3 ARG 7 3HB ARG 7 12.302 9.988 -1.923
39 HG2 ARG 7 2HG ARG 7 13.108 9.888 0.572
40 HG3 ARG 7 3HG ARG 7 13.241 8.163 0.227
41 HD2 ARG 7 2HD ARG 7 15.209 8.559 -0.723
42 HD3 ARG 7 3HD ARG 7 14.372 9.478 -1.974
43 HE ARG 7 HE ARG 7 14.902 10.998 0.404
44 HH11 ARG 7 1HH1 ARG 7 16.195 9.913 -2.641
45 HH12 ARG 7 2HH1 ARG 7 17.331 11.215 -2.771
46 HH21 ARG 7 1HH2 ARG 7 16.392 12.717 0.244
47 HH22 ARG 7 2HH2 ARG 7 17.443 12.809 -1.129
48 H LYS 8 H LYS 8 10.380 10.153 -2.954
49 HA LYS 8 HA LYS 8 10.182 12.975 -2.839
50 HB2 LYS 8 2HB LYS 8 10.620 11.224 -4.835
51 HB3 LYS 8 3HB LYS 8 8.912 11.546 -5.106
52 HG2 LYS 8 2HG LYS 8 9.563 13.312 -6.281
53 HG3 LYS 8 3HG LYS 8 9.996 14.058 -4.741
54 HD2 LYS 8 2HD LYS 8 11.899 14.231 -6.156
55 HD3 LYS 8 3HD LYS 8 12.254 12.974 -4.970
56 HE2 LYS 8 2HE LYS 8 10.968 11.831 -7.269
57 HE3 LYS 8 3HE LYS 8 12.365 12.782 -7.770
58 HZ1 LYS 8 3HZ LYS 8 13.479 11.494 -5.799
59 HZ2 LYS 8 1HZ LYS 8 13.350 10.792 -7.333
60 HZ3 LYS 8 2HZ LYS 8 12.256 10.369 -6.114
61 H TYR 9 H TYR 9 7.821 10.385 -2.733
62 HA TYR 9 HA TYR 9 5.495 11.844 -3.224
63 HB2 TYR 9 2HB TYR 9 5.275 9.499 -3.186
64 HB3 TYR 9 3HB TYR 9 6.042 9.365 -1.607
65 HD1 TYR 9 HD1 TYR 9 2.991 10.708 -3.272
66 HD2 TYR 9 HD2 TYR 9 4.730 9.212 0.311
67 HE1 TYR 9 HE1 TYR 9 0.776 10.708 -2.204
68 HE2 TYR 9 HE2 TYR 9 2.519 9.206 1.389
69 HH TYR 9 HH TYR 9 -0.185 10.770 0.042
70 H CYS 10 H CYS 10 7.380 11.445 -0.283
71 HA CYS 10 HA CYS 10 5.456 12.997 1.262
72 HB2 CYS 10 2HB CYS 10 6.951 10.897 1.999
73 HB3 CYS 10 3HB CYS 10 8.065 12.189 2.434
74 H GLN 11 H GLN 11 8.760 13.228 0.039
75 HA GLN 11 HA GLN 11 9.547 15.589 1.271
76 HB2 GLN 11 2HB GLN 11 10.275 14.284 -1.327
77 HB3 GLN 11 3HB GLN 11 10.921 15.872 -0.933
78 HG2 GLN 11 2HG GLN 11 12.203 15.077 0.793
79 HG3 GLN 11 3HG GLN 11 11.169 13.675 1.060
80 HE21 GLN 11 1HE2 GLN 11 12.399 11.953 0.768
81 HE22 GLN 11 2HE2 GLN 11 13.426 11.663 -0.591
82 H ASP 12 H ASP 12 7.407 15.068 -1.428
83 HA ASP 12 HA ASP 12 7.407 17.748 -2.389
84 HB2 ASP 12 2HB ASP 12 6.595 15.532 -3.532
85 HB3 ASP 12 3HB ASP 12 5.065 15.914 -2.746
86 H LYS 13 H LYS 13 5.796 16.105 0.191
87 HA LYS 13 HA LYS 13 4.029 18.421 0.609
88 HB2 LYS 13 2HB LYS 13 2.858 16.821 2.228
89 HB3 LYS 13 3HB LYS 13 2.685 16.495 0.508
90 HG2 LYS 13 2HG LYS 13 4.439 14.789 0.665
91 HG3 LYS 13 3HG LYS 13 4.575 15.104 2.396
92 HD2 LYS 13 2HD LYS 13 1.867 14.503 1.366
93 HD3 LYS 13 3HD LYS 13 3.024 13.170 1.372
94 HE2 LYS 13 2HE LYS 13 2.755 12.905 3.560
95 HE3 LYS 13 3HE LYS 13 3.209 14.584 3.847
96 HZ1 LYS 13 3HZ LYS 13 1.126 14.933 4.472
97 HZ2 LYS 13 1HZ LYS 13 0.650 13.379 3.999
98 HZ3 LYS 13 2HZ LYS 13 0.625 14.649 2.882
99 H GLY 14 H GLY 14 6.977 17.507 1.480
100 HA2 GLY 14 2HA GLY 14 8.147 18.775 3.163
101 HA3 GLY 14 3HA GLY 14 6.699 18.710 4.155
102 H ALA 15 H ALA 15 9.654 17.190 3.340
103 HA ALA 15 HA ALA 15 9.768 15.626 5.637
104 HB1 ALA 15 1HB ALA 15 8.755 13.695 5.202
105 HB2 ALA 15 2HB ALA 15 8.045 14.470 3.785
106 HB3 ALA 15 3HB ALA 15 9.547 13.559 3.632
107 H ARG 16 H ARG 16 11.774 14.700 5.907
108 HA ARG 16 HA ARG 16 13.818 15.560 4.105
109 HB2 ARG 16 2HB ARG 16 13.673 14.718 6.798
110 HB3 ARG 16 3HB ARG 16 14.771 13.610 5.987
111 HG2 ARG 16 2HG ARG 16 16.344 15.136 6.350
112 HG3 ARG 16 3HG ARG 16 15.579 16.071 5.064
113 HD2 ARG 16 2HD ARG 16 14.086 17.056 6.854
114 HD3 ARG 16 3HD ARG 16 15.163 16.310 8.034
115 HE ARG 16 HE ARG 16 16.642 18.001 7.658
116 HH11 ARG 16 1HH1 ARG 16 14.502 17.775 4.921
117 HH12 ARG 16 2HH1 ARG 16 15.150 19.176 4.133
118 HH21 ARG 16 1HH2 ARG 16 17.504 19.846 6.631
119 HH22 ARG 16 2HH2 ARG 16 16.858 20.352 5.106
120 H ASN 17 H ASN 17 12.385 12.436 4.945
121 HA ASN 17 HA ASN 17 13.279 11.356 2.402
122 HB2 ASN 17 2HB ASN 17 15.024 10.928 4.316
123 HB3 ASN 17 3HB ASN 17 13.873 9.695 4.825
124 HD21 ASN 17 1HD2 ASN 17 13.704 7.833 3.689
125 HD22 ASN 17 2HD2 ASN 17 14.704 7.433 2.338
126 H GLY 18 H GLY 18 12.476 8.962 2.253
127 HA2 GLY 18 2HA GLY 18 10.194 8.258 3.826
128 HA3 GLY 18 3HA GLY 18 9.726 8.929 2.270
129 H LYS 19 H LYS 19 9.516 6.183 3.482
130 HA LYS 19 HA LYS 19 10.324 4.751 1.098
131 HB2 LYS 19 2HB LYS 19 11.170 3.028 3.141
132 HB3 LYS 19 3HB LYS 19 12.178 3.852 1.958
133 HG2 LYS 19 2HG LYS 19 12.382 5.762 3.493
134 HG3 LYS 19 3HG LYS 19 11.425 4.882 4.686
135 HD2 LYS 19 2HD LYS 19 13.984 3.810 3.515
136 HD3 LYS 19 3HD LYS 19 13.931 4.780 4.989
137 HE2 LYS 19 2HE LYS 19 12.868 3.132 6.194
138 HE3 LYS 19 3HE LYS 19 12.157 2.394 4.759
139 HZ1 LYS 19 3HZ LYS 19 14.777 2.038 4.317
140 HZ2 LYS 19 1HZ LYS 19 13.770 0.889 5.045
141 HZ3 LYS 19 2HZ LYS 19 14.719 1.910 6.003
142 H CYS 20 H CYS 20 9.699 2.307 1.436
143 HA CYS 20 HA CYS 20 6.932 2.336 2.343
144 HB2 CYS 20 2HB CYS 20 8.480 0.863 0.360
145 HB3 CYS 20 3HB CYS 20 7.453 -0.192 1.325
146 H ILE 21 H ILE 21 6.089 1.003 3.910
147 HA ILE 21 HA ILE 21 7.996 -0.640 5.433
148 HB ILE 21 HB ILE 21 7.550 1.561 6.564
149 HG12 ILE 21 2HG1 ILE 21 6.386 -0.516 8.344
150 HG13 ILE 21 3HG1 ILE 21 7.957 -0.866 7.632
151 HG21 ILE 21 1HG2 ILE 21 4.986 1.215 5.818
152 HG22 ILE 21 2HG2 ILE 21 4.909 0.626 7.477
153 HG23 ILE 21 3HG2 ILE 21 5.486 2.260 7.147
154 HD11 ILE 21 3HD1 ILE 21 8.244 1.706 8.557
155 HD12 ILE 21 1HD1 ILE 21 7.247 0.934 9.789
156 HD13 ILE 21 2HD1 ILE 21 8.810 0.240 9.356
157 H ASN 22 H ASN 22 6.995 -2.311 6.746
158 HA ASN 22 HA ASN 22 5.337 -4.010 5.469
159 HB2 ASN 22 2HB ASN 22 6.495 -4.006 7.926
160 HB3 ASN 22 3HB ASN 22 4.795 -3.881 8.370
161 HD21 ASN 22 1HD2 ASN 22 3.378 -5.430 6.997
162 HD22 ASN 22 2HD2 ASN 22 3.957 -7.056 6.910
163 H SER 23 H SER 23 4.146 -1.826 8.030
164 HA SER 23 HA SER 23 1.449 -2.274 7.737
165 HB2 SER 23 2HB SER 23 3.115 -0.153 8.869
166 HB3 SER 23 3HB SER 23 1.554 0.433 8.297
167 HG SER 23 HG SER 23 1.790 -0.487 10.555
168 H ASN 24 H ASN 24 3.489 -0.011 5.934
169 HA ASN 24 HA ASN 24 2.142 -0.185 3.537
170 HB2 ASN 24 2HB ASN 24 0.755 1.494 5.468
171 HB3 ASN 24 3HB ASN 24 1.174 2.381 4.006
172 HD21 ASN 24 1HD2 ASN 24 -1.422 1.478 5.069
173 HD22 ASN 24 2HD2 ASN 24 -2.139 0.549 3.801
174 H CYS 25 H CYS 25 2.881 2.871 5.177
175 HA CYS 25 HA CYS 25 5.461 3.035 3.845
176 HB2 CYS 25 2HB CYS 25 3.234 4.157 2.622
177 HB3 CYS 25 3HB CYS 25 3.980 5.515 3.457
178 H HIS 26 H HIS 26 6.684 4.987 4.532
179 HA HIS 26 HA HIS 26 5.774 6.390 6.877
180 HB2 HIS 26 2HB HIS 26 7.512 5.594 8.382
181 HB3 HIS 26 3HB HIS 26 6.531 4.237 7.836
182 HD1 HIS 26 HD1 HIS 26 7.913 3.677 5.137
183 HD2 HIS 26 HD2 HIS 26 9.929 4.379 8.701
184 HE1 HIS 26 HE1 HIS 26 10.174 2.616 4.850
185 H CYS 27 H CYS 27 6.770 8.321 7.083
186 HA CYS 27 HA CYS 27 8.931 8.901 5.183
187 HB2 CYS 27 2HB CYS 27 7.209 10.879 6.684
188 HB3 CYS 27 3HB CYS 27 8.275 11.213 5.324
189 H TYR 28 H TYR 28 10.350 10.829 6.026
190 HA TYR 28 HA TYR 28 11.038 10.439 8.848
191 HB2 TYR 28 2HB TYR 28 12.930 10.149 6.513
192 HB3 TYR 28 3HB TYR 28 13.479 10.408 8.165
193 HD1 TYR 28 HD2 TYR 28 11.424 8.099 6.088
194 HD2 TYR 28 HD1 TYR 28 13.790 8.588 9.590
195 HE1 TYR 28 HE2 TYR 28 11.304 5.677 6.500
196 HE2 TYR 28 HE1 TYR 28 13.679 6.168 10.011
197 HH TYR 28 HH TYR 28 12.784 4.228 9.380
198 H TYR 29 H TYR 29 11.601 12.267 9.879
199 HA TYR 29 HA TYR 29 12.068 14.671 8.239
200 HB2 TYR 29 2HB TYR 29 10.516 14.418 10.820
201 HB3 TYR 29 3HB TYR 29 10.960 15.954 10.085
202 HD1 TYR 29 HD2 TYR 29 9.183 12.773 9.270
203 HD2 TYR 29 HD1 TYR 29 9.475 16.969 8.624
204 HE1 TYR 29 HE2 TYR 29 7.144 12.698 7.896
205 HE2 TYR 29 HE1 TYR 29 7.436 16.905 7.250
206 HH TYR 29 HH TYR 29 5.269 15.001 7.262
Start of MODEL 17
1 H1 ALA 1 H ALA 1 1.962 -0.361 -2.091
2 HA ALA 1 HA ALA 1 4.439 -1.361 -3.146
3 HB1 ALA 1 1HB ALA 1 3.325 -1.350 -5.288
4 HB2 ALA 1 2HB ALA 1 2.241 -2.013 -4.064
5 HB3 ALA 1 3HB ALA 1 2.017 -0.361 -4.638
6 H CYS 2 H CYS 2 3.846 1.545 -1.998
7 HA CYS 2 HA CYS 2 4.568 3.674 -2.381
8 HB2 CYS 2 2HB CYS 2 6.717 1.962 -3.592
9 HB3 CYS 2 3HB CYS 2 6.832 3.717 -3.670
10 H VAL 3 H VAL 3 2.816 4.346 -3.665
11 HA VAL 3 HA VAL 3 2.422 3.938 -6.363
12 HB VAL 3 HB VAL 3 1.315 6.238 -6.339
13 HG11 VAL 3 1HG1 VAL 3 -0.300 5.303 -4.393
14 HG12 VAL 3 2HG1 VAL 3 -0.285 4.675 -6.042
15 HG13 VAL 3 3HG1 VAL 3 0.614 3.844 -4.772
16 HG21 VAL 3 3HG2 VAL 3 2.873 6.565 -4.065
17 HG22 VAL 3 1HG2 VAL 3 1.569 7.620 -4.610
18 HG23 VAL 3 2HG2 VAL 3 1.237 6.337 -3.446
19 H GLU 4 H GLU 4 4.632 6.140 -4.770
20 HA GLU 4 HA GLU 4 6.109 6.499 -7.210
21 HB2 GLU 4 2HB GLU 4 5.959 8.926 -7.296
22 HB3 GLU 4 3HB GLU 4 4.362 8.212 -7.470
23 HG2 GLU 4 2HG GLU 4 3.963 8.655 -5.061
24 HG3 GLU 4 3HG GLU 4 5.508 9.501 -5.006
25 H ASN 5 H ASN 5 6.735 5.336 -4.740
26 HA ASN 5 HA ASN 5 8.441 5.253 -3.238
27 HB2 ASN 5 2HB ASN 5 9.635 7.758 -4.379
28 HB3 ASN 5 3HB ASN 5 10.446 6.329 -3.745
29 HD21 ASN 5 1HD2 ASN 5 10.691 7.777 -6.315
30 HD22 ASN 5 2HD2 ASN 5 10.456 6.576 -7.535
31 H CYS 6 H CYS 6 7.924 5.696 -1.207
32 HA CYS 6 HA CYS 6 6.485 7.866 -0.287
33 HB2 CYS 6 2HB CYS 6 8.151 5.765 0.956
34 HB3 CYS 6 3HB CYS 6 7.892 7.204 1.937
35 H ARG 7 H ARG 7 9.890 7.596 -0.919
36 HA ARG 7 HA ARG 7 10.876 9.701 0.623
37 HB2 ARG 7 2HB ARG 7 11.881 7.959 -1.332
38 HB3 ARG 7 3HB ARG 7 12.185 9.577 -1.950
39 HG2 ARG 7 2HG ARG 7 13.112 10.015 0.445
40 HG3 ARG 7 3HG ARG 7 13.242 8.256 0.503
41 HD2 ARG 7 2HD ARG 7 15.330 9.223 -0.255
42 HD3 ARG 7 3HD ARG 7 14.578 8.304 -1.558
43 HE ARG 7 HE ARG 7 13.699 10.801 -2.030
44 HH11 ARG 7 1HH1 ARG 7 16.871 9.503 -1.418
45 HH12 ARG 7 2HH1 ARG 7 17.687 10.699 -2.369
46 HH21 ARG 7 1HH2 ARG 7 14.761 12.382 -3.284
47 HH22 ARG 7 2HH2 ARG 7 16.486 12.337 -3.429
48 H LYS 8 H LYS 8 10.096 9.808 -2.859
49 HA LYS 8 HA LYS 8 10.145 12.661 -2.932
50 HB2 LYS 8 2HB LYS 8 10.449 10.816 -4.831
51 HB3 LYS 8 3HB LYS 8 8.728 11.109 -5.042
52 HG2 LYS 8 2HG LYS 8 9.916 12.508 -6.560
53 HG3 LYS 8 3HG LYS 8 9.234 13.531 -5.293
54 HD2 LYS 8 2HD LYS 8 11.257 14.285 -4.756
55 HD3 LYS 8 3HD LYS 8 11.848 12.639 -4.519
56 HE2 LYS 8 2HE LYS 8 13.169 13.806 -6.200
57 HE3 LYS 8 3HE LYS 8 12.293 12.454 -6.916
58 HZ1 LYS 8 3HZ LYS 8 11.420 15.291 -7.028
59 HZ2 LYS 8 1HZ LYS 8 10.662 13.979 -7.780
60 HZ3 LYS 8 2HZ LYS 8 12.200 14.468 -8.283
61 H TYR 9 H TYR 9 7.638 10.228 -2.599
62 HA TYR 9 HA TYR 9 5.396 11.832 -3.074
63 HB2 TYR 9 2HB TYR 9 5.026 9.505 -2.979
64 HB3 TYR 9 3HB TYR 9 5.821 9.356 -1.416
65 HD1 TYR 9 HD1 TYR 9 2.797 10.731 -3.079
66 HD2 TYR 9 HD2 TYR 9 4.579 9.468 0.573
67 HE1 TYR 9 HE1 TYR 9 0.614 10.906 -1.960
68 HE2 TYR 9 HE2 TYR 9 2.401 9.638 1.701
69 HH TYR 9 HH TYR 9 -0.522 9.983 0.014
70 H CYS 10 H CYS 10 7.369 11.391 -0.205
71 HA CYS 10 HA CYS 10 5.599 13.089 1.376
72 HB2 CYS 10 2HB CYS 10 6.985 10.910 2.106
73 HB3 CYS 10 3HB CYS 10 8.188 12.140 2.481
74 H GLN 11 H GLN 11 8.665 13.177 -0.270
75 HA GLN 11 HA GLN 11 9.676 15.522 0.977
76 HB2 GLN 11 2HB GLN 11 10.372 13.893 -1.409
77 HB3 GLN 11 3HB GLN 11 10.969 15.547 -1.366
78 HG2 GLN 11 2HG GLN 11 12.227 15.160 0.574
79 HG3 GLN 11 3HG GLN 11 11.383 13.651 0.918
80 HE21 GLN 11 1HE2 GLN 11 12.917 12.152 0.829
81 HE22 GLN 11 2HE2 GLN 11 13.987 11.891 -0.502
82 H ASP 12 H ASP 12 7.361 14.949 -1.508
83 HA ASP 12 HA ASP 12 7.529 17.608 -2.630
84 HB2 ASP 12 2HB ASP 12 6.632 15.221 -3.612
85 HB3 ASP 12 3HB ASP 12 5.118 16.017 -3.194
86 H LYS 13 H LYS 13 6.218 16.308 0.137
87 HA LYS 13 HA LYS 13 4.222 18.470 0.313
88 HB2 LYS 13 2HB LYS 13 3.044 16.981 1.975
89 HB3 LYS 13 3HB LYS 13 3.011 16.421 0.308
90 HG2 LYS 13 2HG LYS 13 5.034 14.994 0.933
91 HG3 LYS 13 3HG LYS 13 4.611 15.356 2.608
92 HD2 LYS 13 2HD LYS 13 2.762 14.098 0.582
93 HD3 LYS 13 3HD LYS 13 3.656 13.218 1.824
94 HE2 LYS 13 2HE LYS 13 1.489 15.272 2.222
95 HE3 LYS 13 3HE LYS 13 1.428 13.555 2.618
96 HZ1 LYS 13 3HZ LYS 13 2.677 15.750 4.063
97 HZ2 LYS 13 1HZ LYS 13 3.526 14.286 4.053
98 HZ3 LYS 13 2HZ LYS 13 1.945 14.343 4.651
99 H GLY 14 H GLY 14 7.136 17.323 1.451
100 HA2 GLY 14 2HA GLY 14 8.282 18.881 2.990
101 HA3 GLY 14 3HA GLY 14 6.821 18.842 3.967
102 H ALA 15 H ALA 15 9.702 17.118 3.030
103 HA ALA 15 HA ALA 15 9.913 15.785 5.499
104 HB1 ALA 15 1HB ALA 15 9.538 13.644 3.543
105 HB2 ALA 15 2HB ALA 15 8.987 13.767 5.214
106 HB3 ALA 15 3HB ALA 15 8.066 14.538 3.923
107 H ARG 16 H ARG 16 11.918 14.852 5.768
108 HA ARG 16 HA ARG 16 13.920 15.575 3.872
109 HB2 ARG 16 2HB ARG 16 13.817 14.683 6.602
110 HB3 ARG 16 3HB ARG 16 15.010 13.738 5.720
111 HG2 ARG 16 2HG ARG 16 16.317 15.464 6.407
112 HG3 ARG 16 3HG ARG 16 15.755 16.120 4.867
113 HD2 ARG 16 2HD ARG 16 13.852 16.737 6.909
114 HD3 ARG 16 3HD ARG 16 15.459 17.222 7.449
115 HE ARG 16 HE ARG 16 13.917 18.386 5.312
116 HH11 ARG 16 1HH1 ARG 16 17.095 17.944 6.662
117 HH12 ARG 16 2HH1 ARG 16 17.758 19.350 5.897
118 HH21 ARG 16 1HH2 ARG 16 14.777 20.240 4.300
119 HH22 ARG 16 2HH2 ARG 16 16.438 20.656 4.555
120 H ASN 17 H ASN 17 12.726 12.432 5.051
121 HA ASN 17 HA ASN 17 13.463 11.259 2.471
122 HB2 ASN 17 2HB ASN 17 15.238 10.871 4.312
123 HB3 ASN 17 3HB ASN 17 14.055 9.776 5.021
124 HD21 ASN 17 1HD2 ASN 17 13.723 7.807 4.124
125 HD22 ASN 17 2HD2 ASN 17 14.623 7.196 2.782
126 H GLY 18 H GLY 18 12.554 8.959 2.310
127 HA2 GLY 18 2HA GLY 18 10.304 8.300 3.958
128 HA3 GLY 18 3HA GLY 18 9.814 8.983 2.414
129 H LYS 19 H LYS 19 9.509 6.256 3.589
130 HA LYS 19 HA LYS 19 10.279 4.803 1.204
131 HB2 LYS 19 2HB LYS 19 11.030 3.038 3.250
132 HB3 LYS 19 3HB LYS 19 12.083 3.821 2.079
133 HG2 LYS 19 2HG LYS 19 12.348 5.720 3.623
134 HG3 LYS 19 3HG LYS 19 11.353 4.868 4.806
135 HD2 LYS 19 2HD LYS 19 13.879 3.714 3.639
136 HD3 LYS 19 3HD LYS 19 13.851 4.672 5.122
137 HE2 LYS 19 2HE LYS 19 12.721 3.052 6.304
138 HE3 LYS 19 3HE LYS 19 11.996 2.351 4.858
139 HZ1 LYS 19 3HZ LYS 19 14.233 1.455 6.206
140 HZ2 LYS 19 1HZ LYS 19 14.816 2.117 4.763
141 HZ3 LYS 19 2HZ LYS 19 13.644 0.898 4.722
142 H CYS 20 H CYS 20 9.530 2.404 1.486
143 HA CYS 20 HA CYS 20 6.766 2.540 2.389
144 HB2 CYS 20 2HB CYS 20 8.323 0.784 0.553
145 HB3 CYS 20 3HB CYS 20 6.897 0.100 1.326
146 H ILE 21 H ILE 21 5.856 1.225 3.933
147 HA ILE 21 HA ILE 21 7.679 -0.522 5.442
148 HB ILE 21 HB ILE 21 7.328 1.674 6.606
149 HG12 ILE 21 2HG1 ILE 21 6.042 -0.372 8.338
150 HG13 ILE 21 3HG1 ILE 21 7.606 -0.782 7.642
151 HG21 ILE 21 1HG2 ILE 21 4.641 0.877 7.497
152 HG22 ILE 21 2HG2 ILE 21 5.299 2.477 7.157
153 HG23 ILE 21 3HG2 ILE 21 4.750 1.450 5.832
154 HD11 ILE 21 3HD1 ILE 21 7.284 1.840 9.006
155 HD12 ILE 21 1HD1 ILE 21 7.429 0.375 9.977
156 HD13 ILE 21 2HD1 ILE 21 8.710 0.815 8.847
157 H ASN 22 H ASN 22 6.604 -2.173 6.714
158 HA ASN 22 HA ASN 22 4.871 -3.769 5.400
159 HB2 ASN 22 2HB ASN 22 6.070 -4.009 7.752
160 HB3 ASN 22 3HB ASN 22 4.471 -3.580 8.354
161 HD21 ASN 22 1HD2 ASN 22 3.609 -5.394 9.080
162 HD22 ASN 22 2HD2 ASN 22 3.511 -6.883 8.209
163 H SER 23 H SER 23 3.789 -1.587 8.011
164 HA SER 23 HA SER 23 1.074 -1.910 7.727
165 HB2 SER 23 2HB SER 23 2.035 0.860 8.245
166 HB3 SER 23 3HB SER 23 0.847 -0.104 9.124
167 HG SER 23 HG SER 23 2.723 -1.392 9.819
168 H ASN 24 H ASN 24 3.202 0.286 5.946
169 HA ASN 24 HA ASN 24 1.835 0.214 3.557
170 HB2 ASN 24 2HB ASN 24 0.536 1.922 5.525
171 HB3 ASN 24 3HB ASN 24 0.985 2.812 4.074
172 HD21 ASN 24 1HD2 ASN 24 -1.569 1.594 5.349
173 HD22 ASN 24 2HD2 ASN 24 -2.364 0.878 3.992
174 H CYS 25 H CYS 25 2.708 3.215 5.229
175 HA CYS 25 HA CYS 25 5.293 3.283 3.900
176 HB2 CYS 25 2HB CYS 25 3.157 4.464 2.632
177 HB3 CYS 25 3HB CYS 25 3.845 5.807 3.538
178 H HIS 26 H HIS 26 6.617 5.133 4.623
179 HA HIS 26 HA HIS 26 5.756 6.576 6.967
180 HB2 HIS 26 2HB HIS 26 7.436 5.688 8.478
181 HB3 HIS 26 3HB HIS 26 6.413 4.375 7.903
182 HD1 HIS 26 HD1 HIS 26 7.797 3.774 5.224
183 HD2 HIS 26 HD2 HIS 26 9.814 4.405 8.801
184 HE1 HIS 26 HE1 HIS 26 10.025 2.641 4.949
185 H CYS 27 H CYS 27 6.829 8.462 7.176
186 HA CYS 27 HA CYS 27 9.046 8.940 5.309
187 HB2 CYS 27 2HB CYS 27 7.434 11.040 6.757
188 HB3 CYS 27 3HB CYS 27 8.459 11.248 5.340
189 H TYR 28 H TYR 28 10.529 10.808 6.160
190 HA TYR 28 HA TYR 28 11.136 10.421 9.002
191 HB2 TYR 28 2HB TYR 28 13.073 10.067 6.713
192 HB3 TYR 28 3HB TYR 28 13.584 10.293 8.382
193 HD1 TYR 28 HD1 TYR 28 11.485 8.081 6.241
194 HD2 TYR 28 HD2 TYR 28 13.804 8.450 9.789
195 HE1 TYR 28 HE1 TYR 28 11.265 5.662 6.629
196 HE2 TYR 28 HE2 TYR 28 13.592 6.032 10.186
197 HH TYR 28 HH TYR 28 13.168 3.957 8.726
198 H TYR 29 H TYR 29 11.236 12.335 9.949
199 HA TYR 29 HA TYR 29 11.881 14.695 8.331
200 HB2 TYR 29 2HB TYR 29 10.730 14.677 11.121
201 HB3 TYR 29 3HB TYR 29 10.737 16.004 9.964
202 HD1 TYR 29 HD1 TYR 29 9.814 14.635 7.513
203 HD2 TYR 29 HD2 TYR 29 8.467 14.285 11.534
204 HE1 TYR 29 HE1 TYR 29 7.596 13.945 6.704
205 HE2 TYR 29 HE2 TYR 29 6.246 13.593 10.736
206 HH TYR 29 HH TYR 29 4.888 13.980 8.511
Start of MODEL 18
1 H1 ALA 1 H ALA 1 -0.683 -1.118 -2.775
2 HA ALA 1 HA ALA 1 1.750 -1.987 -3.109
3 HB1 ALA 1 1HB ALA 1 2.319 -1.244 -5.575
4 HB2 ALA 1 2HB ALA 1 1.730 -2.868 -5.217
5 HB3 ALA 1 3HB ALA 1 0.622 -1.645 -5.839
6 H CYS 2 H CYS 2 3.462 -0.335 -3.763
7 HA CYS 2 HA CYS 2 2.694 2.203 -2.650
8 HB2 CYS 2 2HB CYS 2 5.274 0.965 -3.541
9 HB3 CYS 2 3HB CYS 2 5.193 2.701 -3.260
10 H VAL 3 H VAL 3 1.710 3.689 -3.844
11 HA VAL 3 HA VAL 3 1.477 3.780 -6.587
12 HB VAL 3 HB VAL 3 0.725 6.049 -6.385
13 HG11 VAL 3 1HG1 VAL 3 -0.660 4.204 -5.399
14 HG12 VAL 3 2HG1 VAL 3 -0.029 4.667 -3.817
15 HG13 VAL 3 3HG1 VAL 3 -0.992 5.811 -4.753
16 HG21 VAL 3 3HG2 VAL 3 2.022 6.057 -3.660
17 HG22 VAL 3 1HG2 VAL 3 2.571 6.948 -5.080
18 HG23 VAL 3 2HG2 VAL 3 1.029 7.353 -4.327
19 H GLU 4 H GLU 4 4.063 4.990 -4.566
20 HA GLU 4 HA GLU 4 5.887 5.120 -6.724
21 HB2 GLU 4 2HB GLU 4 6.249 7.470 -6.931
22 HB3 GLU 4 3HB GLU 4 4.526 7.191 -7.145
23 HG2 GLU 4 2HG GLU 4 4.492 7.676 -4.548
24 HG3 GLU 4 3HG GLU 4 5.972 8.549 -4.943
25 H ASN 5 H ASN 5 7.715 6.962 -5.745
26 HA ASN 5 HA ASN 5 8.774 5.508 -3.509
27 HB2 ASN 5 2HB ASN 5 9.966 8.089 -4.434
28 HB3 ASN 5 3HB ASN 5 10.768 6.610 -3.914
29 HD21 ASN 5 1HD2 ASN 5 9.952 8.490 -6.520
30 HD22 ASN 5 2HD2 ASN 5 10.195 7.333 -7.780
31 H CYS 6 H CYS 6 8.138 5.854 -1.492
32 HA CYS 6 HA CYS 6 6.577 7.916 -0.552
33 HB2 CYS 6 2HB CYS 6 8.152 5.770 0.614
34 HB3 CYS 6 3HB CYS 6 8.135 7.198 1.645
35 H ARG 7 H ARG 7 10.013 7.852 -1.067
36 HA ARG 7 HA ARG 7 10.790 9.993 0.564
37 HB2 ARG 7 2HB ARG 7 12.029 8.296 -1.270
38 HB3 ARG 7 3HB ARG 7 12.256 9.906 -1.939
39 HG2 ARG 7 2HG ARG 7 12.950 10.419 0.578
40 HG3 ARG 7 3HG ARG 7 13.352 8.701 0.528
41 HD2 ARG 7 2HD ARG 7 14.265 10.107 -1.838
42 HD3 ARG 7 3HD ARG 7 14.931 10.799 -0.359
43 HE ARG 7 HE ARG 7 15.140 7.957 -0.389
44 HH11 ARG 7 1HH1 ARG 7 16.582 10.880 -1.613
45 HH12 ARG 7 2HH1 ARG 7 18.154 10.179 -1.805
46 HH21 ARG 7 1HH2 ARG 7 17.205 7.022 -0.638
47 HH22 ARG 7 2HH2 ARG 7 18.507 7.984 -1.251
48 H LYS 8 H LYS 8 10.340 10.090 -2.975
49 HA LYS 8 HA LYS 8 10.273 12.908 -3.110
50 HB2 LYS 8 2HB LYS 8 10.537 10.954 -4.948
51 HB3 LYS 8 3HB LYS 8 8.846 11.366 -5.201
52 HG2 LYS 8 2HG LYS 8 9.474 13.074 -6.454
53 HG3 LYS 8 3HG LYS 8 10.263 13.797 -5.050
54 HD2 LYS 8 2HD LYS 8 11.683 11.644 -6.543
55 HD3 LYS 8 3HD LYS 8 11.613 13.261 -7.248
56 HE2 LYS 8 2HE LYS 8 13.251 13.927 -5.908
57 HE3 LYS 8 3HE LYS 8 12.278 13.516 -4.496
58 HZ1 LYS 8 3HZ LYS 8 14.606 12.289 -5.338
59 HZ2 LYS 8 1HZ LYS 8 13.371 11.176 -5.653
60 HZ3 LYS 8 2HZ LYS 8 13.580 11.788 -4.090
61 H TYR 9 H TYR 9 7.736 10.469 -2.867
62 HA TYR 9 HA TYR 9 5.522 12.109 -3.328
63 HB2 TYR 9 2HB TYR 9 5.122 9.788 -3.306
64 HB3 TYR 9 3HB TYR 9 5.894 9.581 -1.738
65 HD1 TYR 9 HD2 TYR 9 3.024 11.465 -3.227
66 HD2 TYR 9 HD1 TYR 9 4.510 9.218 0.067
67 HE1 TYR 9 HE2 TYR 9 0.828 11.630 -2.131
68 HE2 TYR 9 HE1 TYR 9 2.318 9.377 1.171
69 HH TYR 9 HH TYR 9 0.284 11.165 0.977
70 H CYS 10 H CYS 10 7.020 11.179 -0.232
71 HA CYS 10 HA CYS 10 5.363 12.942 1.294
72 HB2 CYS 10 2HB CYS 10 6.752 10.762 1.966
73 HB3 CYS 10 3HB CYS 10 7.956 11.975 2.391
74 H GLN 11 H GLN 11 8.330 13.259 -0.426
75 HA GLN 11 HA GLN 11 9.425 15.453 0.990
76 HB2 GLN 11 2HB GLN 11 9.910 14.114 -1.603
77 HB3 GLN 11 3HB GLN 11 10.433 15.789 -1.494
78 HG2 GLN 11 2HG GLN 11 11.910 15.320 0.279
79 HG3 GLN 11 3HG GLN 11 11.201 13.728 0.546
80 HE21 GLN 11 1HE2 GLN 11 12.691 12.280 0.068
81 HE22 GLN 11 2HE2 GLN 11 13.665 12.260 -1.359
82 H ASP 12 H ASP 12 7.042 15.170 -1.546
83 HA ASP 12 HA ASP 12 7.037 17.909 -2.315
84 HB2 ASP 12 2HB ASP 12 5.869 15.592 -3.271
85 HB3 ASP 12 3HB ASP 12 4.494 16.514 -2.668
86 H LYS 13 H LYS 13 4.935 15.991 -0.182
87 HA LYS 13 HA LYS 13 3.342 18.218 0.609
88 HB2 LYS 13 2HB LYS 13 2.473 16.676 2.347
89 HB3 LYS 13 3HB LYS 13 2.425 15.986 0.730
90 HG2 LYS 13 2HG LYS 13 4.738 14.978 1.417
91 HG3 LYS 13 3HG LYS 13 4.140 15.259 3.053
92 HD2 LYS 13 2HD LYS 13 2.733 13.666 0.910
93 HD3 LYS 13 3HD LYS 13 3.621 12.993 2.279
94 HE2 LYS 13 2HE LYS 13 1.099 14.640 2.348
95 HE3 LYS 13 3HE LYS 13 1.293 12.952 2.817
96 HZ1 LYS 13 3HZ LYS 13 1.510 13.794 4.862
97 HZ2 LYS 13 1HZ LYS 13 1.864 15.354 4.309
98 HZ3 LYS 13 2HZ LYS 13 3.087 14.188 4.391
99 H GLY 14 H GLY 14 6.452 17.178 1.460
100 HA2 GLY 14 2HA GLY 14 7.697 18.874 2.783
101 HA3 GLY 14 3HA GLY 14 6.355 18.820 3.916
102 H ALA 15 H ALA 15 9.269 17.303 2.851
103 HA ALA 15 HA ALA 15 9.734 16.022 5.298
104 HB1 ALA 15 1HB ALA 15 9.320 13.837 3.373
105 HB2 ALA 15 2HB ALA 15 8.987 13.908 5.104
106 HB3 ALA 15 3HB ALA 15 7.851 14.618 3.958
107 H ARG 16 H ARG 16 11.834 15.384 5.454
108 HA ARG 16 HA ARG 16 13.607 16.111 3.350
109 HB2 ARG 16 2HB ARG 16 13.795 15.449 6.134
110 HB3 ARG 16 3HB ARG 16 14.987 14.516 5.239
111 HG2 ARG 16 2HG ARG 16 16.162 16.369 4.596
112 HG3 ARG 16 3HG ARG 16 14.752 17.427 4.682
113 HD2 ARG 16 2HD ARG 16 14.995 17.799 6.913
114 HD3 ARG 16 3HD ARG 16 15.684 16.204 7.214
115 HE ARG 16 HE ARG 16 17.559 17.594 5.736
116 HH11 ARG 16 1HH1 ARG 16 15.977 17.927 8.819
117 HH12 ARG 16 2HH1 ARG 16 17.310 18.748 9.562
118 HH21 ARG 16 1HH2 ARG 16 19.321 18.673 6.702
119 HH22 ARG 16 2HH2 ARG 16 19.211 19.173 8.356
120 H ASN 17 H ASN 17 12.493 13.025 4.670
121 HA ASN 17 HA ASN 17 13.251 11.715 2.187
122 HB2 ASN 17 2HB ASN 17 15.131 11.594 4.033
123 HB3 ASN 17 3HB ASN 17 14.093 10.341 4.707
124 HD21 ASN 17 1HD2 ASN 17 13.985 8.380 3.738
125 HD22 ASN 17 2HD2 ASN 17 14.941 7.928 2.372
126 H GLY 18 H GLY 18 12.614 9.247 2.431
127 HA2 GLY 18 2HA GLY 18 10.625 8.435 4.208
128 HA3 GLY 18 3HA GLY 18 9.817 9.200 2.848
129 H LYS 19 H LYS 19 9.550 6.473 3.603
130 HA LYS 19 HA LYS 19 10.162 5.250 1.066
131 HB2 LYS 19 2HB LYS 19 11.108 3.246 2.680
132 HB3 LYS 19 3HB LYS 19 12.106 4.344 1.737
133 HG2 LYS 19 2HG LYS 19 12.644 5.645 3.576
134 HG3 LYS 19 3HG LYS 19 11.258 5.075 4.509
135 HD2 LYS 19 2HD LYS 19 12.273 2.925 4.819
136 HD3 LYS 19 3HD LYS 19 13.585 3.330 3.710
137 HE2 LYS 19 2HE LYS 19 13.660 5.362 5.579
138 HE3 LYS 19 3HE LYS 19 13.274 3.934 6.539
139 HZ1 LYS 19 3HZ LYS 19 15.745 4.681 5.368
140 HZ2 LYS 19 1HZ LYS 19 15.269 3.160 4.800
141 HZ3 LYS 19 2HZ LYS 19 15.417 3.434 6.462
142 H CYS 20 H CYS 20 9.494 2.772 1.270
143 HA CYS 20 HA CYS 20 6.776 2.826 2.301
144 HB2 CYS 20 2HB CYS 20 8.266 1.249 0.290
145 HB3 CYS 20 3HB CYS 20 7.013 0.377 1.167
146 H ILE 21 H ILE 21 5.943 1.418 3.817
147 HA ILE 21 HA ILE 21 7.863 -0.319 5.213
148 HB ILE 21 HB ILE 21 7.479 1.841 6.450
149 HG12 ILE 21 2HG1 ILE 21 6.355 -0.284 8.191
150 HG13 ILE 21 3HG1 ILE 21 7.880 -0.650 7.391
151 HG21 ILE 21 1HG2 ILE 21 4.866 0.893 7.420
152 HG22 ILE 21 2HG2 ILE 21 5.443 2.532 7.124
153 HG23 ILE 21 3HG2 ILE 21 4.885 1.538 5.779
154 HD11 ILE 21 3HD1 ILE 21 8.304 0.247 9.575
155 HD12 ILE 21 1HD1 ILE 21 8.836 1.405 8.357
156 HD13 ILE 21 2HD1 ILE 21 7.322 1.669 9.222
157 H ASN 22 H ASN 22 6.871 -2.033 6.475
158 HA ASN 22 HA ASN 22 5.139 -3.636 5.165
159 HB2 ASN 22 2HB ASN 22 6.425 -4.118 7.318
160 HB3 ASN 22 3HB ASN 22 5.049 -3.427 8.173
161 HD21 ASN 22 1HD2 ASN 22 3.939 -5.018 9.041
162 HD22 ASN 22 2HD2 ASN 22 3.482 -6.487 8.255
163 H SER 23 H SER 23 4.086 -1.583 7.889
164 HA SER 23 HA SER 23 1.374 -1.967 7.683
165 HB2 SER 23 2HB SER 23 3.123 0.020 8.888
166 HB3 SER 23 3HB SER 23 1.603 0.731 8.348
167 HG SER 23 HG SER 23 0.641 -1.183 9.484
168 H ASN 24 H ASN 24 3.387 0.322 5.889
169 HA ASN 24 HA ASN 24 1.922 0.296 3.557
170 HB2 ASN 24 2HB ASN 24 0.685 1.930 5.626
171 HB3 ASN 24 3HB ASN 24 1.059 2.865 4.181
172 HD21 ASN 24 1HD2 ASN 24 0.559 1.414 2.113
173 HD22 ASN 24 2HD2 ASN 24 -1.051 0.787 2.095
174 H CYS 25 H CYS 25 2.819 3.265 5.271
175 HA CYS 25 HA CYS 25 5.356 3.405 3.863
176 HB2 CYS 25 2HB CYS 25 3.177 4.544 2.649
177 HB3 CYS 25 3HB CYS 25 3.826 5.897 3.569
178 H HIS 26 H HIS 26 6.653 5.290 4.563
179 HA HIS 26 HA HIS 26 5.834 6.710 6.927
180 HB2 HIS 26 2HB HIS 26 7.516 5.819 8.426
181 HB3 HIS 26 3HB HIS 26 6.501 4.501 7.850
182 HD1 HIS 26 HD1 HIS 26 7.917 4.001 5.131
183 HD2 HIS 26 HD2 HIS 26 9.867 4.471 8.770
184 HE1 HIS 26 HE1 HIS 26 10.143 2.864 4.853
185 H CYS 27 H CYS 27 6.773 8.648 6.925
186 HA CYS 27 HA CYS 27 8.982 9.118 5.073
187 HB2 CYS 27 2HB CYS 27 7.465 11.203 6.639
188 HB3 CYS 27 3HB CYS 27 8.410 11.425 5.171
189 H TYR 28 H TYR 28 10.414 11.091 5.961
190 HA TYR 28 HA TYR 28 11.182 10.611 8.739
191 HB2 TYR 28 2HB TYR 28 12.991 10.215 6.358
192 HB3 TYR 28 3HB TYR 28 13.614 10.504 7.978
193 HD1 TYR 28 HD1 TYR 28 11.518 8.183 5.977
194 HD2 TYR 28 HD2 TYR 28 13.800 8.742 9.524
195 HE1 TYR 28 HE1 TYR 28 11.334 5.780 6.466
196 HE2 TYR 28 HE2 TYR 28 13.624 6.340 10.023
197 HH TYR 28 HH TYR 28 12.927 4.356 9.302
198 H TYR 29 H TYR 29 11.395 12.504 9.711
199 HA TYR 29 HA TYR 29 12.000 14.873 8.082
200 HB2 TYR 29 2HB TYR 29 10.911 14.875 10.895
201 HB3 TYR 29 3HB TYR 29 10.888 16.187 9.722
202 HD1 TYR 29 HD1 TYR 29 9.891 14.801 7.315
203 HD2 TYR 29 HD2 TYR 29 8.665 14.479 11.376
204 HE1 TYR 29 HE1 TYR 29 7.650 14.106 6.577
205 HE2 TYR 29 HE2 TYR 29 6.421 13.782 10.649
206 HH TYR 29 HH TYR 29 4.983 13.998 8.656
Start of MODEL 19
1 H1 ALA 1 H ALA 1 -0.832 1.028 -1.573
2 HA ALA 1 HA ALA 1 1.824 0.557 -0.465
3 HB1 ALA 1 1HB ALA 1 1.165 -1.233 -1.800
4 HB2 ALA 1 2HB ALA 1 0.486 -0.182 -3.043
5 HB3 ALA 1 3HB ALA 1 2.235 -0.306 -2.852
6 H CYS 2 H CYS 2 3.648 1.112 -2.156
7 HA CYS 2 HA CYS 2 3.702 3.968 -2.328
8 HB2 CYS 2 2HB CYS 2 5.699 2.044 -3.523
9 HB3 CYS 2 3HB CYS 2 5.968 3.720 -3.057
10 H VAL 3 H VAL 3 3.338 5.259 -4.031
11 HA VAL 3 HA VAL 3 2.638 3.968 -6.583
12 HB VAL 3 HB VAL 3 1.293 5.927 -7.091
13 HG11 VAL 3 1HG1 VAL 3 0.262 5.509 -4.401
14 HG12 VAL 3 2HG1 VAL 3 -0.451 5.104 -5.964
15 HG13 VAL 3 3HG1 VAL 3 0.706 4.005 -5.209
16 HG21 VAL 3 3HG2 VAL 3 0.997 7.416 -4.846
17 HG22 VAL 3 1HG2 VAL 3 2.714 7.024 -4.763
18 HG23 VAL 3 2HG2 VAL 3 2.064 7.840 -6.185
19 H GLU 4 H GLU 4 4.594 6.446 -5.079
20 HA GLU 4 HA GLU 4 6.236 6.593 -7.469
21 HB2 GLU 4 2HB GLU 4 6.180 9.023 -7.605
22 HB3 GLU 4 3HB GLU 4 4.565 8.363 -7.820
23 HG2 GLU 4 2HG GLU 4 4.098 8.871 -5.438
24 HG3 GLU 4 3HG GLU 4 5.673 9.655 -5.340
25 H ASN 5 H ASN 5 6.743 5.461 -4.958
26 HA ASN 5 HA ASN 5 8.405 5.345 -3.408
27 HB2 ASN 5 2HB ASN 5 9.716 7.798 -4.525
28 HB3 ASN 5 3HB ASN 5 10.456 6.337 -3.877
29 HD21 ASN 5 1HD2 ASN 5 10.068 8.008 -6.599
30 HD22 ASN 5 2HD2 ASN 5 10.110 6.735 -7.766
31 H CYS 6 H CYS 6 7.953 5.844 -1.378
32 HA CYS 6 HA CYS 6 6.502 8.042 -0.518
33 HB2 CYS 6 2HB CYS 6 7.942 5.847 0.714
34 HB3 CYS 6 3HB CYS 6 8.087 7.319 1.669
35 H ARG 7 H ARG 7 9.897 7.745 -1.155
36 HA ARG 7 HA ARG 7 10.929 9.832 0.368
37 HB2 ARG 7 2HB ARG 7 11.850 8.129 -1.687
38 HB3 ARG 7 3HB ARG 7 12.196 9.772 -2.212
39 HG2 ARG 7 2HG ARG 7 13.103 9.973 0.271
40 HG3 ARG 7 3HG ARG 7 13.301 8.231 0.063
41 HD2 ARG 7 2HD ARG 7 14.284 10.131 -2.029
42 HD3 ARG 7 3HD ARG 7 15.244 9.826 -0.582
43 HE ARG 7 HE ARG 7 14.560 7.351 -1.611
44 HH11 ARG 7 1HH1 ARG 7 16.359 10.150 -2.635
45 HH12 ARG 7 2HH1 ARG 7 17.441 9.248 -3.644
46 HH21 ARG 7 1HH2 ARG 7 15.979 6.152 -2.935
47 HH22 ARG 7 2HH2 ARG 7 17.223 6.973 -3.814
48 H LYS 8 H LYS 8 10.241 10.042 -3.126
49 HA LYS 8 HA LYS 8 10.219 12.884 -3.113
50 HB2 LYS 8 2HB LYS 8 10.487 11.015 -5.053
51 HB3 LYS 8 3HB LYS 8 8.809 11.478 -5.301
52 HG2 LYS 8 2HG LYS 8 9.557 13.170 -6.520
53 HG3 LYS 8 3HG LYS 8 10.159 13.889 -5.024
54 HD2 LYS 8 2HD LYS 8 12.116 13.843 -6.175
55 HD3 LYS 8 3HD LYS 8 12.174 12.206 -5.516
56 HE2 LYS 8 2HE LYS 8 11.188 11.347 -7.589
57 HE3 LYS 8 3HE LYS 8 11.143 12.983 -8.244
58 HZ1 LYS 8 3HZ LYS 8 13.417 11.193 -7.871
59 HZ2 LYS 8 1HZ LYS 8 13.693 12.844 -7.628
60 HZ3 LYS 8 2HZ LYS 8 13.100 12.296 -9.114
61 H TYR 9 H TYR 9 7.728 10.419 -2.889
62 HA TYR 9 HA TYR 9 5.475 12.004 -3.350
63 HB2 TYR 9 2HB TYR 9 5.118 9.679 -3.292
64 HB3 TYR 9 3HB TYR 9 5.922 9.503 -1.736
65 HD1 TYR 9 HD2 TYR 9 2.990 11.323 -3.186
66 HD2 TYR 9 HD1 TYR 9 4.574 9.119 0.091
67 HE1 TYR 9 HE2 TYR 9 0.811 11.453 -2.052
68 HE2 TYR 9 HE1 TYR 9 2.399 9.242 1.233
69 HH TYR 9 HH TYR 9 -0.221 11.200 -0.011
70 H CYS 10 H CYS 10 7.210 11.310 -0.335
71 HA CYS 10 HA CYS 10 5.470 13.032 1.202
72 HB2 CYS 10 2HB CYS 10 6.857 10.862 1.913
73 HB3 CYS 10 3HB CYS 10 8.065 12.081 2.307
74 H GLN 11 H GLN 11 8.657 13.172 -0.252
75 HA GLN 11 HA GLN 11 9.601 15.486 1.033
76 HB2 GLN 11 2HB GLN 11 10.261 14.063 -1.507
77 HB3 GLN 11 3HB GLN 11 10.907 15.680 -1.260
78 HG2 GLN 11 2HG GLN 11 12.176 15.029 0.577
79 HG3 GLN 11 3HG GLN 11 11.238 13.556 0.820
80 HE21 GLN 11 1HE2 GLN 11 13.048 12.246 0.799
81 HE22 GLN 11 2HE2 GLN 11 13.936 11.912 -0.645
82 H ASP 12 H ASP 12 7.248 15.039 -1.438
83 HA ASP 12 HA ASP 12 7.388 17.721 -2.474
84 HB2 ASP 12 2HB ASP 12 6.454 15.462 -3.548
85 HB3 ASP 12 3HB ASP 12 4.948 16.058 -2.856
86 H LYS 13 H LYS 13 5.868 16.158 0.174
87 HA LYS 13 HA LYS 13 4.064 18.447 0.573
88 HB2 LYS 13 2HB LYS 13 3.009 16.894 2.310
89 HB3 LYS 13 3HB LYS 13 2.774 16.480 0.617
90 HG2 LYS 13 2HG LYS 13 4.574 14.829 0.775
91 HG3 LYS 13 3HG LYS 13 4.788 15.236 2.479
92 HD2 LYS 13 2HD LYS 13 2.026 14.602 1.786
93 HD3 LYS 13 3HD LYS 13 3.142 13.268 1.484
94 HE2 LYS 13 2HE LYS 13 3.317 12.839 3.660
95 HE3 LYS 13 3HE LYS 13 3.716 14.520 4.012
96 HZ1 LYS 13 3HZ LYS 13 0.948 14.192 3.417
97 HZ2 LYS 13 1HZ LYS 13 1.679 14.882 4.778
98 HZ3 LYS 13 2HZ LYS 13 1.417 13.212 4.713
99 H GLY 14 H GLY 14 7.051 17.421 1.448
100 HA2 GLY 14 2HA GLY 14 8.277 18.862 2.989
101 HA3 GLY 14 3HA GLY 14 6.868 18.827 4.039
102 H ALA 15 H ALA 15 9.729 17.160 3.014
103 HA ALA 15 HA ALA 15 9.901 15.700 5.436
104 HB1 ALA 15 1HB ALA 15 9.189 13.624 4.930
105 HB2 ALA 15 2HB ALA 15 8.191 14.475 3.750
106 HB3 ALA 15 3HB ALA 15 9.712 13.737 3.250
107 H ARG 16 H ARG 16 11.903 14.647 5.687
108 HA ARG 16 HA ARG 16 13.958 15.631 3.904
109 HB2 ARG 16 2HB ARG 16 13.812 14.650 6.647
110 HB3 ARG 16 3HB ARG 16 15.202 14.014 5.778
111 HG2 ARG 16 2HG ARG 16 15.988 15.959 6.787
112 HG3 ARG 16 3HG ARG 16 15.673 16.436 5.117
113 HD2 ARG 16 2HD ARG 16 14.161 17.943 5.750
114 HD3 ARG 16 3HD ARG 16 13.326 16.770 6.768
115 HE ARG 16 HE ARG 16 14.416 17.624 8.593
116 HH11 ARG 16 1HH1 ARG 16 15.974 18.753 5.691
117 HH12 ARG 16 2HH1 ARG 16 17.002 19.872 6.523
118 HH21 ARG 16 1HH2 ARG 16 15.764 19.095 9.699
119 HH22 ARG 16 2HH2 ARG 16 16.883 20.066 8.802
120 H ASN 17 H ASN 17 12.827 12.464 5.059
121 HA ASN 17 HA ASN 17 13.627 11.261 2.546
122 HB2 ASN 17 2HB ASN 17 15.574 11.211 4.316
123 HB3 ASN 17 3HB ASN 17 14.636 9.892 5.010
124 HD21 ASN 17 1HD2 ASN 17 14.482 7.960 3.930
125 HD22 ASN 17 2HD2 ASN 17 15.456 7.573 2.556
126 H GLY 18 H GLY 18 12.083 9.898 1.931
127 HA2 GLY 18 2HA GLY 18 10.435 8.631 4.032
128 HA3 GLY 18 3HA GLY 18 9.744 9.270 2.548
129 H LYS 19 H LYS 19 9.466 6.600 3.501
130 HA LYS 19 HA LYS 19 10.303 5.200 1.128
131 HB2 LYS 19 2HB LYS 19 11.152 3.397 3.071
132 HB3 LYS 19 3HB LYS 19 12.174 4.309 1.969
133 HG2 LYS 19 2HG LYS 19 12.436 6.066 3.607
134 HG3 LYS 19 3HG LYS 19 11.323 5.244 4.703
135 HD2 LYS 19 2HD LYS 19 13.634 3.668 3.741
136 HD3 LYS 19 3HD LYS 19 13.992 4.994 4.850
137 HE2 LYS 19 2HE LYS 19 12.255 4.066 6.389
138 HE3 LYS 19 3HE LYS 19 12.123 2.675 5.314
139 HZ1 LYS 19 3HZ LYS 19 13.607 2.037 6.987
140 HZ2 LYS 19 1HZ LYS 19 14.444 3.507 6.948
141 HZ3 LYS 19 2HZ LYS 19 14.599 2.412 5.669
142 H CYS 20 H CYS 20 9.788 2.652 1.697
143 HA CYS 20 HA CYS 20 6.969 2.721 2.483
144 HB2 CYS 20 2HB CYS 20 8.609 1.043 0.670
145 HB3 CYS 20 3HB CYS 20 7.302 0.224 1.519
146 H ILE 21 H ILE 21 6.084 1.200 3.930
147 HA ILE 21 HA ILE 21 8.011 -0.269 5.591
148 HB ILE 21 HB ILE 21 7.344 1.912 6.669
149 HG12 ILE 21 2HG1 ILE 21 6.274 -0.199 8.450
150 HG13 ILE 21 3HG1 ILE 21 7.869 -0.501 7.769
151 HG21 ILE 21 1HG2 ILE 21 5.207 2.438 7.164
152 HG22 ILE 21 2HG2 ILE 21 4.854 1.353 5.820
153 HG23 ILE 21 3HG2 ILE 21 4.753 0.763 7.479
154 HD11 ILE 21 3HD1 ILE 21 8.776 1.408 8.790
155 HD12 ILE 21 1HD1 ILE 21 7.183 2.055 9.179
156 HD13 ILE 21 2HD1 ILE 21 7.786 0.629 10.024
157 H ASN 22 H ASN 22 7.045 -1.992 6.869
158 HA ASN 22 HA ASN 22 5.569 -3.799 5.509
159 HB2 ASN 22 2HB ASN 22 6.476 -3.546 8.156
160 HB3 ASN 22 3HB ASN 22 4.758 -3.913 8.281
161 HD21 ASN 22 1HD2 ASN 22 7.174 -5.502 8.902
162 HD22 ASN 22 2HD2 ASN 22 6.989 -6.974 8.016
163 H SER 23 H SER 23 4.121 -1.702 8.009
164 HA SER 23 HA SER 23 1.476 -2.321 7.600
165 HB2 SER 23 2HB SER 23 2.879 0.139 8.563
166 HB3 SER 23 3HB SER 23 1.142 0.217 8.269
167 HG SER 23 HG SER 23 2.417 -1.715 9.913
168 H ASN 24 H ASN 24 3.460 0.014 5.838
169 HA ASN 24 HA ASN 24 2.192 -0.255 3.404
170 HB2 ASN 24 2HB ASN 24 0.698 1.416 5.265
171 HB3 ASN 24 3HB ASN 24 1.123 2.282 3.791
172 HD21 ASN 24 1HD2 ASN 24 0.841 0.748 1.778
173 HD22 ASN 24 2HD2 ASN 24 -0.706 -0.015 1.692
174 H CYS 25 H CYS 25 2.761 2.866 4.983
175 HA CYS 25 HA CYS 25 5.375 3.092 3.718
176 HB2 CYS 25 2HB CYS 25 3.143 4.121 2.431
177 HB3 CYS 25 3HB CYS 25 3.814 5.515 3.272
178 H HIS 26 H HIS 26 6.394 5.267 4.319
179 HA HIS 26 HA HIS 26 5.435 6.646 6.615
180 HB2 HIS 26 2HB HIS 26 7.144 5.914 8.218
181 HB3 HIS 26 3HB HIS 26 6.112 4.571 7.734
182 HD1 HIS 26 HD1 HIS 26 8.060 4.709 4.919
183 HD2 HIS 26 HD2 HIS 26 8.952 3.688 8.846
184 HE1 HIS 26 HE1 HIS 26 10.138 3.298 4.792
185 H CYS 27 H CYS 27 6.829 8.376 7.266
186 HA CYS 27 HA CYS 27 8.987 8.942 5.340
187 HB2 CYS 27 2HB CYS 27 7.239 11.057 6.590
188 HB3 CYS 27 3HB CYS 27 8.341 11.225 5.227
189 H TYR 28 H TYR 28 10.478 10.716 6.177
190 HA TYR 28 HA TYR 28 10.811 10.579 9.089
191 HB2 TYR 28 2HB TYR 28 12.987 10.036 7.058
192 HB3 TYR 28 3HB TYR 28 13.251 10.227 8.788
193 HD1 TYR 28 HD2 TYR 28 11.399 8.142 6.320
194 HD2 TYR 28 HD1 TYR 28 13.136 8.373 10.197
195 HE1 TYR 28 HE2 TYR 28 10.987 5.739 6.641
196 HE2 TYR 28 HE1 TYR 28 12.731 5.970 10.528
197 HH TYR 28 HH TYR 28 12.438 3.888 8.731
198 H TYR 29 H TYR 29 10.948 12.560 9.882
199 HA TYR 29 HA TYR 29 11.671 14.771 8.121
200 HB2 TYR 29 2HB TYR 29 10.721 14.981 10.975
201 HB3 TYR 29 3HB TYR 29 10.664 16.213 9.719
202 HD1 TYR 29 HD1 TYR 29 9.543 14.638 7.464
203 HD2 TYR 29 HD2 TYR 29 8.478 14.721 11.583
204 HE1 TYR 29 HE1 TYR 29 7.257 13.943 6.881
205 HE2 TYR 29 HE2 TYR 29 6.189 14.025 11.011
206 HH TYR 29 HH TYR 29 5.278 12.600 8.478
Start of MODEL 20
1 H1 ALA 1 H ALA 1 1.629 0.873 0.965
2 HA ALA 1 HA ALA 1 2.790 -0.068 -0.862
3 HB1 ALA 1 1HB ALA 1 1.607 -0.966 -2.509
4 HB2 ALA 1 2HB ALA 1 0.151 -0.244 -1.822
5 HB3 ALA 1 3HB ALA 1 1.076 0.629 -3.043
6 H CYS 2 H CYS 2 3.894 0.956 -2.726
7 HA CYS 2 HA CYS 2 3.879 3.882 -2.421
8 HB2 CYS 2 2HB CYS 2 6.107 2.194 -3.566
9 HB3 CYS 2 3HB CYS 2 6.186 3.879 -3.061
10 H VAL 3 H VAL 3 3.115 5.050 -4.045
11 HA VAL 3 HA VAL 3 2.666 3.788 -6.636
12 HB VAL 3 HB VAL 3 1.292 5.723 -7.167
13 HG11 VAL 3 1HG1 VAL 3 -0.420 4.813 -6.075
14 HG12 VAL 3 2HG1 VAL 3 0.756 3.825 -5.206
15 HG13 VAL 3 3HG1 VAL 3 0.203 5.352 -4.516
16 HG21 VAL 3 3HG2 VAL 3 2.021 7.655 -6.270
17 HG22 VAL 3 1HG2 VAL 3 0.962 7.217 -4.928
18 HG23 VAL 3 2HG2 VAL 3 2.688 6.860 -4.843
19 H GLU 4 H GLU 4 4.597 6.288 -5.148
20 HA GLU 4 HA GLU 4 6.236 6.445 -7.534
21 HB2 GLU 4 2HB GLU 4 6.142 8.872 -7.700
22 HB3 GLU 4 3HB GLU 4 4.539 8.184 -7.914
23 HG2 GLU 4 2HG GLU 4 4.051 8.712 -5.542
24 HG3 GLU 4 3HG GLU 4 5.615 9.520 -5.443
25 H ASN 5 H ASN 5 6.750 5.351 -5.008
26 HA ASN 5 HA ASN 5 8.408 5.280 -3.451
27 HB2 ASN 5 2HB ASN 5 9.686 7.740 -4.589
28 HB3 ASN 5 3HB ASN 5 10.445 6.296 -3.925
29 HD21 ASN 5 1HD2 ASN 5 10.053 7.934 -6.663
30 HD22 ASN 5 2HD2 ASN 5 10.113 6.650 -7.817
31 H CYS 6 H CYS 6 7.936 5.796 -1.429
32 HA CYS 6 HA CYS 6 6.449 7.981 -0.602
33 HB2 CYS 6 2HB CYS 6 7.915 5.823 0.663
34 HB3 CYS 6 3HB CYS 6 8.034 7.308 1.601
35 H ARG 7 H ARG 7 9.851 7.728 -1.219
36 HA ARG 7 HA ARG 7 10.845 9.848 0.284
37 HB2 ARG 7 2HB ARG 7 11.799 8.138 -1.752
38 HB3 ARG 7 3HB ARG 7 12.126 9.781 -2.287
39 HG2 ARG 7 2HG ARG 7 13.018 10.015 0.196
40 HG3 ARG 7 3HG ARG 7 13.235 8.273 0.008
41 HD2 ARG 7 2HD ARG 7 14.196 10.104 -2.142
42 HD3 ARG 7 3HD ARG 7 15.141 9.946 -0.662
43 HE ARG 7 HE ARG 7 14.619 7.375 -1.492
44 HH11 ARG 7 1HH1 ARG 7 16.205 10.181 -2.807
45 HH12 ARG 7 2HH1 ARG 7 17.322 9.264 -3.763
46 HH21 ARG 7 1HH2 ARG 7 16.084 6.156 -2.745
47 HH22 ARG 7 2HH2 ARG 7 17.252 6.974 -3.727
48 H LYS 8 H LYS 8 10.169 10.010 -3.214
49 HA LYS 8 HA LYS 8 10.105 12.850 -3.233
50 HB2 LYS 8 2HB LYS 8 10.410 10.966 -5.151
51 HB3 LYS 8 3HB LYS 8 8.725 11.399 -5.411
52 HG2 LYS 8 2HG LYS 8 9.801 12.849 -6.824
53 HG3 LYS 8 3HG LYS 8 9.628 13.839 -5.373
54 HD2 LYS 8 2HD LYS 8 11.866 13.727 -4.866
55 HD3 LYS 8 3HD LYS 8 12.085 12.182 -5.692
56 HE2 LYS 8 2HE LYS 8 11.477 13.657 -7.809
57 HE3 LYS 8 3HE LYS 8 12.098 14.948 -6.781
58 HZ1 LYS 8 3HZ LYS 8 13.833 12.719 -6.695
59 HZ2 LYS 8 1HZ LYS 8 14.158 14.299 -7.203
60 HZ3 LYS 8 2HZ LYS 8 13.563 13.162 -8.305
61 H TYR 9 H TYR 9 7.649 10.351 -2.996
62 HA TYR 9 HA TYR 9 5.375 11.896 -3.481
63 HB2 TYR 9 2HB TYR 9 5.052 9.567 -3.400
64 HB3 TYR 9 3HB TYR 9 5.851 9.420 -1.839
65 HD1 TYR 9 HD1 TYR 9 2.899 11.180 -3.322
66 HD2 TYR 9 HD2 TYR 9 4.502 9.039 -0.013
67 HE1 TYR 9 HE1 TYR 9 0.713 11.289 -2.201
68 HE2 TYR 9 HE2 TYR 9 2.320 9.141 1.118
69 HH TYR 9 HH TYR 9 0.288 10.193 1.105
70 H CYS 10 H CYS 10 7.111 11.265 -0.454
71 HA CYS 10 HA CYS 10 5.338 12.976 1.057
72 HB2 CYS 10 2HB CYS 10 6.751 10.834 1.798
73 HB3 CYS 10 3HB CYS 10 7.941 12.073 2.183
74 H GLN 11 H GLN 11 8.531 13.146 -0.381
75 HA GLN 11 HA GLN 11 9.434 15.487 0.881
76 HB2 GLN 11 2HB GLN 11 10.129 14.046 -1.639
77 HB3 GLN 11 3HB GLN 11 10.752 15.674 -1.405
78 HG2 GLN 11 2HG GLN 11 12.018 15.058 0.446
79 HG3 GLN 11 3HG GLN 11 11.097 13.575 0.699
80 HE21 GLN 11 1HE2 GLN 11 12.949 12.310 0.712
81 HE22 GLN 11 2HE2 GLN 11 13.841 11.965 -0.726
82 H ASP 12 H ASP 12 7.102 14.978 -1.596
83 HA ASP 12 HA ASP 12 7.209 17.649 -2.663
84 HB2 ASP 12 2HB ASP 12 6.308 15.358 -3.708
85 HB3 ASP 12 3HB ASP 12 4.792 15.958 -3.043
86 H LYS 13 H LYS 13 5.698 16.096 -0.005
87 HA LYS 13 HA LYS 13 3.858 18.363 0.356
88 HB2 LYS 13 2HB LYS 13 2.815 16.815 2.106
89 HB3 LYS 13 3HB LYS 13 2.596 16.380 0.416
90 HG2 LYS 13 2HG LYS 13 4.418 14.756 0.602
91 HG3 LYS 13 3HG LYS 13 4.616 15.184 2.303
92 HD2 LYS 13 2HD LYS 13 1.868 14.506 1.606
93 HD3 LYS 13 3HD LYS 13 3.001 13.184 1.316
94 HE2 LYS 13 2HE LYS 13 2.667 12.741 3.496
95 HE3 LYS 13 3HE LYS 13 3.829 14.041 3.747
96 HZ1 LYS 13 3HZ LYS 13 1.327 13.958 4.772
97 HZ2 LYS 13 1HZ LYS 13 1.128 14.968 3.429
98 HZ3 LYS 13 2HZ LYS 13 2.270 15.354 4.616
99 H GLY 14 H GLY 14 6.854 17.389 1.261
100 HA2 GLY 14 2HA GLY 14 8.050 18.867 2.792
101 HA3 GLY 14 3HA GLY 14 6.636 18.821 3.835
102 H ALA 15 H ALA 15 9.527 17.187 2.842
103 HA ALA 15 HA ALA 15 9.710 15.756 5.281
104 HB1 ALA 15 1HB ALA 15 9.560 13.767 3.115
105 HB2 ALA 15 2HB ALA 15 9.030 13.663 4.794
106 HB3 ALA 15 3HB ALA 15 8.025 14.487 3.602
107 H ARG 16 H ARG 16 11.726 14.735 5.552
108 HA ARG 16 HA ARG 16 13.774 15.730 3.767
109 HB2 ARG 16 2HB ARG 16 13.614 14.979 6.523
110 HB3 ARG 16 3HB ARG 16 14.892 14.044 5.757
111 HG2 ARG 16 2HG ARG 16 16.056 15.994 5.101
112 HG3 ARG 16 3HG ARG 16 14.685 17.029 5.505
113 HD2 ARG 16 2HD ARG 16 15.005 16.740 7.811
114 HD3 ARG 16 3HD ARG 16 16.048 15.339 7.575
115 HE ARG 16 HE ARG 16 17.436 17.313 6.380
116 HH11 ARG 16 1HH1 ARG 16 15.935 17.042 9.510
117 HH12 ARG 16 2HH1 ARG 16 17.075 18.087 10.291
118 HH21 ARG 16 1HH2 ARG 16 18.943 18.690 7.398
119 HH22 ARG 16 2HH2 ARG 16 18.785 19.024 9.089
120 H ASN 17 H ASN 17 12.684 12.560 4.952
121 HA ASN 17 HA ASN 17 13.512 11.341 2.457
122 HB2 ASN 17 2HB ASN 17 15.452 11.339 4.236
123 HB3 ASN 17 3HB ASN 17 14.531 10.014 4.940
124 HD21 ASN 17 1HD2 ASN 17 14.415 8.068 3.883
125 HD22 ASN 17 2HD2 ASN 17 15.400 7.681 2.517
126 H GLY 18 H GLY 18 11.991 9.949 1.850
127 HA2 GLY 18 2HA GLY 18 10.352 8.681 3.959
128 HA3 GLY 18 3HA GLY 18 9.659 9.294 2.465
129 H LYS 19 H LYS 19 9.415 6.630 3.446
130 HA LYS 19 HA LYS 19 10.283 5.216 1.093
131 HB2 LYS 19 2HB LYS 19 11.149 3.448 3.060
132 HB3 LYS 19 3HB LYS 19 12.163 4.363 1.952
133 HG2 LYS 19 2HG LYS 19 12.392 6.141 3.571
134 HG3 LYS 19 3HG LYS 19 11.287 5.315 4.672
135 HD2 LYS 19 2HD LYS 19 13.625 3.764 3.737
136 HD3 LYS 19 3HD LYS 19 13.958 5.106 4.834
137 HE2 LYS 19 2HE LYS 19 12.316 4.185 6.419
138 HE3 LYS 19 3HE LYS 19 12.044 2.827 5.329
139 HZ1 LYS 19 3HZ LYS 19 14.310 3.380 7.077
140 HZ2 LYS 19 1HZ LYS 19 14.662 2.669 5.583
141 HZ3 LYS 19 2HZ LYS 19 13.603 1.902 6.655
142 H CYS 20 H CYS 20 9.802 2.668 1.688
143 HA CYS 20 HA CYS 20 6.980 2.704 2.462
144 HB2 CYS 20 2HB CYS 20 8.652 1.028 0.676
145 HB3 CYS 20 3HB CYS 20 7.350 0.203 1.527
146 H ILE 21 H ILE 21 6.111 1.187 3.922
147 HA ILE 21 HA ILE 21 8.052 -0.236 5.607
148 HB ILE 21 HB ILE 21 7.349 1.947 6.658
149 HG12 ILE 21 2HG1 ILE 21 6.302 -0.159 8.458
150 HG13 ILE 21 3HG1 ILE 21 7.903 -0.446 7.787
151 HG21 ILE 21 1HG2 ILE 21 4.870 1.343 5.805
152 HG22 ILE 21 2HG2 ILE 21 4.772 0.767 7.468
153 HG23 ILE 21 3HG2 ILE 21 5.201 2.446 7.140
154 HD11 ILE 21 3HD1 ILE 21 7.798 0.706 10.028
155 HD12 ILE 21 1HD1 ILE 21 8.779 1.488 8.790
156 HD13 ILE 21 2HD1 ILE 21 7.174 2.113 9.169
157 H ASN 22 H ASN 22 7.106 -1.959 6.900
158 HA ASN 22 HA ASN 22 5.661 -3.802 5.554
159 HB2 ASN 22 2HB ASN 22 5.680 -3.269 8.528
160 HB3 ASN 22 3HB ASN 22 4.949 -4.703 7.813
161 HD21 ASN 22 1HD2 ASN 22 6.387 -6.049 8.898
162 HD22 ASN 22 2HD2 ASN 22 8.039 -6.202 8.415
163 H SER 23 H SER 23 4.172 -1.699 8.025
164 HA SER 23 HA SER 23 1.539 -2.360 7.612
165 HB2 SER 23 2HB SER 23 2.843 -0.521 9.162
166 HB3 SER 23 3HB SER 23 1.964 0.522 8.044
167 HG SER 23 HG SER 23 1.006 -0.657 10.164
168 H ASN 24 H ASN 24 3.496 -0.016 5.832
169 HA ASN 24 HA ASN 24 2.242 -0.331 3.397
170 HB2 ASN 24 2HB ASN 24 0.716 1.339 5.233
171 HB3 ASN 24 3HB ASN 24 1.135 2.194 3.751
172 HD21 ASN 24 1HD2 ASN 24 -1.449 1.226 4.755
173 HD22 ASN 24 2HD2 ASN 24 -2.081 0.210 3.509
174 H CYS 25 H CYS 25 2.759 2.816 4.944
175 HA CYS 25 HA CYS 25 5.375 3.065 3.687
176 HB2 CYS 25 2HB CYS 25 3.133 4.048 2.380
177 HB3 CYS 25 3HB CYS 25 3.781 5.460 3.207
178 H HIS 26 H HIS 26 6.359 5.262 4.268
179 HA HIS 26 HA HIS 26 5.371 6.652 6.544
180 HB2 HIS 26 2HB HIS 26 7.083 5.963 8.162
181 HB3 HIS 26 3HB HIS 26 6.073 4.600 7.688
182 HD1 HIS 26 HD1 HIS 26 8.031 4.735 4.880
183 HD2 HIS 26 HD2 HIS 26 8.920 3.771 8.823
184 HE1 HIS 26 HE1 HIS 26 10.130 3.353 4.778
185 H CYS 27 H CYS 27 6.737 8.410 7.181
186 HA CYS 27 HA CYS 27 8.895 8.985 5.258
187 HB2 CYS 27 2HB CYS 27 7.110 11.088 6.476
188 HB3 CYS 27 3HB CYS 27 8.216 11.257 5.117
189 H TYR 28 H TYR 28 10.356 10.790 6.081
190 HA TYR 28 HA TYR 28 10.679 10.690 8.995
191 HB2 TYR 28 2HB TYR 28 12.871 10.157 6.980
192 HB3 TYR 28 3HB TYR 28 13.125 10.371 8.709
193 HD1 TYR 28 HD2 TYR 28 11.313 8.232 6.257
194 HD2 TYR 28 HD1 TYR 28 13.032 8.530 10.137
195 HE1 TYR 28 HE2 TYR 28 10.935 5.826 6.603
196 HE2 TYR 28 HE1 TYR 28 12.660 6.125 10.494
197 HH TYR 28 HH TYR 28 11.015 4.356 9.542
198 H TYR 29 H TYR 29 10.784 12.681 9.767
199 HA TYR 29 HA TYR 29 11.478 14.884 7.985
200 HB2 TYR 29 2HB TYR 29 10.525 15.109 10.837
201 HB3 TYR 29 3HB TYR 29 10.450 16.327 9.569
202 HD1 TYR 29 HD1 TYR 29 9.351 14.713 7.331
203 HD2 TYR 29 HD2 TYR 29 8.286 14.823 11.448
204 HE1 TYR 29 HE1 TYR 29 7.075 13.978 6.756
205 HE2 TYR 29 HE2 TYR 29 6.008 14.087 10.885
206 HH TYR 29 HH TYR 29 4.990 12.686 8.796