Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616684 | 2ndd RC | 26056 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 HN SER 1 -2.202 7.697 -1.811
2 HA SER 1 HA SER 1 -0.725 9.849 -1.931
3 HB2 SER 1 HB2 SER 1 -2.424 10.148 0.512
4 HB3 SER 1 HB1 SER 1 -0.777 10.772 0.541
5 HG SER 1 HG SER 1 -2.458 11.312 -1.647
6 H CYS 2 HN CYS 2 -1.052 6.862 -1.047
7 HA CYS 2 HA CYS 2 1.628 6.668 0.055
8 HB2 CYS 2 HB2 CYS 2 0.938 5.305 1.985
9 HB3 CYS 2 HB1 CYS 2 0.266 6.933 2.084
10 H LYS 3 HN LYS 3 -1.265 5.237 -1.261
11 HA LYS 3 HA LYS 3 0.010 2.637 -1.636
12 HB2 LYS 3 HB2 LYS 3 -2.684 3.513 -2.680
13 HB3 LYS 3 HB1 LYS 3 -2.113 1.870 -2.385
14 HG2 LYS 3 HG2 LYS 3 -1.788 2.798 0.086
15 HG3 LYS 3 HG1 LYS 3 -3.031 3.939 -0.427
16 HD2 LYS 3 HD2 LYS 3 -4.485 2.057 -1.094
17 HD3 LYS 3 HD1 LYS 3 -3.247 0.917 -0.567
18 HE2 LYS 3 HE2 LYS 3 -3.657 2.724 1.580
19 HE3 LYS 3 HE1 LYS 3 -5.254 2.235 1.015
20 HZ1 LYS 3 HZ1 LYS 3 -3.023 0.445 1.809
21 HZ2 LYS 3 HZ2 LYS 3 -4.491 0.672 2.635
22 HZ3 LYS 3 HZ3 LYS 3 -4.480 -0.090 1.119
23 H LYS 4 HN LYS 4 -1.377 5.225 -3.656
24 HA LYS 4 HA LYS 4 -0.351 4.048 -6.088
25 HB2 LYS 4 HB2 LYS 4 -1.217 6.142 -7.135
26 HB3 LYS 4 HB1 LYS 4 -2.433 5.286 -6.187
27 HG2 LYS 4 HG2 LYS 4 -2.057 6.791 -4.291
28 HG3 LYS 4 HG1 LYS 4 -0.780 7.621 -5.180
29 HD2 LYS 4 HD2 LYS 4 -2.488 8.174 -6.955
30 HD3 LYS 4 HD1 LYS 4 -3.727 7.528 -5.877
31 HE2 LYS 4 HE2 LYS 4 -3.834 9.622 -5.019
32 HE3 LYS 4 HE1 LYS 4 -2.311 9.231 -4.221
33 HZ1 LYS 4 HZ1 LYS 4 -1.136 10.486 -5.646
34 HZ2 LYS 4 HZ2 LYS 4 -2.110 10.101 -6.984
35 HZ3 LYS 4 HZ3 LYS 4 -2.616 11.285 -5.880
36 H GLU 5 HN GLU 5 0.778 6.257 -3.696
37 HA GLU 5 HA GLU 5 2.739 7.533 -5.405
38 HB2 GLU 5 HB2 GLU 5 1.734 7.859 -2.684
39 HB3 GLU 5 HB1 GLU 5 3.487 8.021 -2.780
40 HG2 GLU 5 HG2 GLU 5 1.614 9.451 -4.676
41 HG3 GLU 5 HG1 GLU 5 2.159 10.165 -3.159
42 H CYS 6 HN CYS 6 2.604 4.499 -4.694
43 HA CYS 6 HA CYS 6 5.505 4.219 -4.430
44 HB2 CYS 6 HB2 CYS 6 4.789 4.028 -2.130
45 HB3 CYS 6 HB1 CYS 6 3.512 2.897 -2.577
46 H SER 7 HN SER 7 2.359 2.681 -4.948
47 HA SER 7 HA SER 7 2.996 0.193 -5.849
48 HB2 SER 7 HB2 SER 7 1.056 0.351 -7.361
49 HB3 SER 7 HB1 SER 7 0.698 1.044 -5.783
50 HG SER 7 HG SER 7 1.738 2.672 -7.822
51 H GLY 8 HN GLY 8 3.998 -0.719 -7.559
52 HA2 GLY 8 HA2 GLY 8 5.240 1.106 -9.521
53 HA3 GLY 8 HA1 GLY 8 5.847 -0.490 -9.086
54 H SER 9 HN SER 9 5.348 -2.149 -10.379
55 HA SER 9 HA SER 9 3.285 -1.721 -12.448
56 HB2 SER 9 HB2 SER 9 4.583 -3.797 -13.439
57 HB3 SER 9 HB1 SER 9 5.214 -2.165 -13.633
58 HG SER 9 HG SER 9 6.873 -2.782 -12.521
59 H ARG 10 HN ARG 10 4.568 -4.131 -10.177
60 HA ARG 10 HA ARG 10 1.901 -5.386 -10.123
61 HB2 ARG 10 HB2 ARG 10 4.544 -6.836 -10.395
62 HB3 ARG 10 HB1 ARG 10 3.007 -7.621 -10.030
63 HG2 ARG 10 HG2 ARG 10 2.090 -6.555 -12.149
64 HG3 ARG 10 HG1 ARG 10 3.749 -6.098 -12.538
65 HD2 ARG 10 HD2 ARG 10 4.230 -8.651 -12.049
66 HD3 ARG 10 HD1 ARG 10 2.515 -8.825 -12.410
67 HE ARG 10 HE ARG 10 2.983 -8.348 -14.642
68 HH11 ARG 10 HH11 ARG 10 5.661 -7.575 -12.590
69 HH12 ARG 10 HH12 ARG 10 6.756 -7.281 -13.899
70 HH21 ARG 10 HH21 ARG 10 4.414 -7.965 -16.363
71 HH22 ARG 10 HH22 ARG 10 6.051 -7.502 -16.035
72 H ARG 11 HN ARG 11 4.252 -3.853 -8.457
73 HA ARG 11 HA ARG 11 3.886 -5.428 -5.988
74 HB2 ARG 11 HB2 ARG 11 6.206 -4.996 -6.537
75 HB3 ARG 11 HB1 ARG 11 5.885 -3.270 -6.696
76 HG2 ARG 11 HG2 ARG 11 5.005 -4.383 -4.122
77 HG3 ARG 11 HG1 ARG 11 6.743 -4.515 -4.387
78 HD2 ARG 11 HD2 ARG 11 5.186 -1.951 -4.786
79 HD3 ARG 11 HD1 ARG 11 6.021 -2.359 -3.290
80 HE ARG 11 HE ARG 11 7.680 -2.488 -5.667
81 HH11 ARG 11 HH11 ARG 11 6.426 -0.574 -3.073
82 HH12 ARG 11 HH12 ARG 11 7.716 0.581 -3.118
83 HH21 ARG 11 HH21 ARG 11 9.375 -0.977 -5.733
84 HH22 ARG 11 HH22 ARG 11 9.385 0.353 -4.624
85 H THR 12 HN THR 12 2.825 -4.618 -4.265
86 HA THR 12 HA THR 12 2.349 -1.832 -3.846
87 HB THR 12 HB THR 12 0.135 -3.516 -5.010
88 HG1 THR 12 HG1 THR 12 1.648 -1.357 -5.726
89 HG21 THR 12 HG21 THR 12 -1.227 -1.363 -4.388
90 HG22 THR 12 HG22 THR 12 -0.984 -2.616 -3.170
91 HG23 THR 12 HG23 THR 12 0.013 -1.161 -3.149
92 H LYS 13 HN LYS 13 1.882 -5.171 -3.092
93 HA LYS 13 HA LYS 13 0.332 -4.974 -0.756
94 HB2 LYS 13 HB2 LYS 13 2.457 -6.954 -1.588
95 HB3 LYS 13 HB1 LYS 13 1.488 -7.134 -0.125
96 HG2 LYS 13 HG2 LYS 13 -0.563 -7.175 -1.421
97 HG3 LYS 13 HG1 LYS 13 0.320 -6.810 -2.904
98 HD2 LYS 13 HD2 LYS 13 -0.191 -9.221 -2.752
99 HD3 LYS 13 HD1 LYS 13 1.549 -8.939 -2.703
100 HE2 LYS 13 HE2 LYS 13 0.082 -9.007 -0.101
101 HE3 LYS 13 HE1 LYS 13 0.349 -10.538 -0.933
102 HZ1 LYS 13 HZ1 LYS 13 2.284 -10.394 0.211
103 HZ2 LYS 13 HZ2 LYS 13 2.753 -9.519 -1.168
104 HZ3 LYS 13 HZ3 LYS 13 2.289 -8.697 0.240
105 H LYS 14 HN LYS 14 3.595 -4.069 -1.388
106 HA LYS 14 HA LYS 14 4.518 -4.207 1.335
107 HB2 LYS 14 HB2 LYS 14 5.978 -4.283 -0.749
108 HB3 LYS 14 HB1 LYS 14 5.698 -2.547 -0.895
109 HG2 LYS 14 HG2 LYS 14 7.453 -2.282 0.502
110 HG3 LYS 14 HG1 LYS 14 6.389 -2.870 1.780
111 HD2 LYS 14 HD2 LYS 14 7.082 -5.216 1.171
112 HD3 LYS 14 HD1 LYS 14 8.276 -4.518 0.077
113 HE2 LYS 14 HE2 LYS 14 8.139 -4.268 3.085
114 HE3 LYS 14 HE1 LYS 14 9.456 -4.914 2.106
115 HZ1 LYS 14 HZ1 LYS 14 9.651 -2.646 1.117
116 HZ2 LYS 14 HZ2 LYS 14 8.568 -2.092 2.302
117 HZ3 LYS 14 HZ3 LYS 14 10.067 -2.739 2.760
118 H CYS 15 HN CYS 15 4.033 -1.407 -0.828
119 HA CYS 15 HA CYS 15 4.027 0.498 1.266
120 HB2 CYS 15 HB2 CYS 15 2.491 1.229 -1.130
121 HB3 CYS 15 HB1 CYS 15 3.898 2.011 -0.409
122 H MET 16 HN MET 16 1.491 -1.400 -0.252
123 HA MET 16 HA MET 16 -0.739 0.027 0.724
124 HB2 MET 16 HB2 MET 16 -0.970 -1.636 -1.037
125 HB3 MET 16 HB1 MET 16 -0.430 -2.910 0.057
126 HG2 MET 16 HG2 MET 16 -2.406 -2.889 1.280
127 HG3 MET 16 HG1 MET 16 -2.768 -1.215 0.860
128 HE1 MET 16 HE1 MET 16 -3.675 -4.847 0.211
129 HE2 MET 16 HE2 MET 16 -3.500 -5.028 -1.533
130 HE3 MET 16 HE3 MET 16 -2.086 -4.673 -0.531
131 H GLN 17 HN GLN 17 0.849 -2.907 1.999
132 HA GLN 17 HA GLN 17 -0.688 -3.168 4.319
133 HB2 GLN 17 HB2 GLN 17 1.024 -4.804 3.359
134 HB3 GLN 17 HB1 GLN 17 2.253 -3.830 4.166
135 HG2 GLN 17 HG2 GLN 17 1.762 -5.458 5.779
136 HG3 GLN 17 HG1 GLN 17 0.742 -4.108 6.275
137 HE21 GLN 17 HE21 GLN 17 -0.919 -4.845 3.675
138 HE22 GLN 17 HE22 GLN 17 -1.916 -6.101 4.234
139 H LYS 18 HN LYS 18 2.219 -1.253 3.690
140 HA LYS 18 HA LYS 18 2.693 -0.425 6.344
141 HB2 LYS 18 HB2 LYS 18 3.606 0.322 3.662
142 HB3 LYS 18 HB1 LYS 18 3.537 1.693 4.766
143 HG2 LYS 18 HG2 LYS 18 5.732 0.700 4.949
144 HG3 LYS 18 HG1 LYS 18 4.857 0.321 6.429
145 HD2 LYS 18 HD2 LYS 18 4.282 -1.903 5.515
146 HD3 LYS 18 HD1 LYS 18 5.147 -1.514 4.030
147 HE2 LYS 18 HE2 LYS 18 7.150 -1.971 4.962
148 HE3 LYS 18 HE1 LYS 18 6.768 -1.046 6.414
149 HZ1 LYS 18 HZ1 LYS 18 6.590 -2.994 7.433
150 HZ2 LYS 18 HZ2 LYS 18 5.158 -3.250 6.553
151 HZ3 LYS 18 HZ3 LYS 18 6.631 -3.861 5.974
152 H CYS 19 HN CYS 19 0.738 1.006 3.749
153 HA CYS 19 HA CYS 19 -0.027 3.298 5.283
154 HB2 CYS 19 HB2 CYS 19 -0.054 2.909 2.694
155 HB3 CYS 19 HB1 CYS 19 -1.653 2.230 3.001
156 H ASN 20 HN ASN 20 -1.307 0.079 4.783
157 HA ASN 20 HA ASN 20 -3.892 0.520 5.867
158 HB2 ASN 20 HB2 ASN 20 -2.562 -1.617 4.691
159 HB3 ASN 20 HB1 ASN 20 -2.835 -2.153 6.348
160 HD21 ASN 20 HD21 ASN 20 -4.251 -2.381 3.413
161 HD22 ASN 20 HD22 ASN 20 -5.889 -2.376 3.860
162 H ARG 21 HN ARG 21 -0.807 -0.456 7.305
163 HA ARG 21 HA ARG 21 -1.888 -0.906 9.918
164 HB2 ARG 21 HB2 ARG 21 0.647 -1.180 8.600
165 HB3 ARG 21 HB1 ARG 21 0.871 -0.279 10.099
166 HG2 ARG 21 HG2 ARG 21 -0.674 -2.882 9.935
167 HG3 ARG 21 HG1 ARG 21 1.036 -2.787 10.350
168 HD2 ARG 21 HD2 ARG 21 0.607 -2.040 12.436
169 HD3 ARG 21 HD1 ARG 21 -0.617 -0.911 11.876
170 HE ARG 21 HE ARG 21 -1.924 -3.243 11.652
171 HH11 ARG 21 HH11 ARG 21 0.078 -1.932 14.154
172 HH12 ARG 21 HH12 ARG 21 -0.745 -2.759 15.434
173 HH21 ARG 21 HH21 ARG 21 -3.005 -4.329 13.326
174 HH22 ARG 21 HH22 ARG 21 -2.490 -4.115 14.966
175 H GLU 22 HN GLU 22 -0.176 1.786 8.356
176 HA GLU 22 HA GLU 22 0.017 3.439 10.634
177 HB2 GLU 22 HB2 GLU 22 0.285 3.772 7.708
178 HB3 GLU 22 HB1 GLU 22 -0.113 5.235 8.610
179 HG2 GLU 22 HG2 GLU 22 1.827 5.060 9.964
180 HG3 GLU 22 HG1 GLU 22 2.106 3.386 9.487
181 H HIS 23 HN HIS 23 -2.534 2.968 8.253
182 HA HIS 23 HA HIS 23 -4.148 5.142 9.289
183 HB2 HIS 23 HB2 HIS 23 -4.652 2.971 7.245
184 HB3 HIS 23 HB1 HIS 23 -5.877 4.150 7.713
185 HD1 HIS 23 HD1 HIS 23 -3.441 6.376 8.069
186 HD2 HIS 23 HD2 HIS 23 -4.554 4.276 4.644
187 HE1 HIS 23 HE1 HIS 23 -2.608 7.729 6.096
188 HE2 HIS 23 HE2 HIS 23 -3.279 6.462 4.000
189 H GLY 24 HN GLY 24 -3.332 2.339 10.630
190 HA2 GLY 24 HA2 GLY 24 -5.944 1.358 11.427
191 HA3 GLY 24 HA1 GLY 24 -4.384 0.753 11.976
192 H HIS 25 HN HIS 25 -4.580 4.118 12.164
193 HA HIS 25 HA HIS 25 -4.258 4.233 14.944
194 HB2 HIS 25 HB2 HIS 25 -5.008 6.689 14.578
195 HB3 HIS 25 HB1 HIS 25 -3.540 6.134 13.779
196 HD1 HIS 25 HD1 HIS 25 -6.507 4.699 12.235
197 HD2 HIS 25 HD2 HIS 25 -4.352 8.244 11.821
198 HE1 HIS 25 HE1 HIS 25 -7.204 5.706 10.018
199 HE2 HIS 25 HE2 HIS 25 -5.899 7.868 9.751
200 HN1 NH2 26 H1 HIS 25 -6.879 6.309 14.083
201 HN2 NH2 26 H2 HIS 25 -8.088 5.495 14.954
Start of MODEL 2
1 H1 SER 1 HN SER 1 -1.107 10.801 0.122
2 HA SER 1 HA SER 1 1.364 10.895 -0.152
3 HB2 SER 1 HB2 SER 1 1.767 9.814 2.328
4 HB3 SER 1 HB1 SER 1 1.191 11.452 2.032
5 HG SER 1 HG SER 1 -0.536 10.821 3.040
6 H CYS 2 HN CYS 2 -0.007 7.741 0.682
7 HA CYS 2 HA CYS 2 2.251 6.454 -0.677
8 HB2 CYS 2 HB2 CYS 2 2.575 4.859 1.152
9 HB3 CYS 2 HB1 CYS 2 2.860 6.505 1.718
10 H LYS 3 HN LYS 3 -1.035 6.664 0.114
11 HA LYS 3 HA LYS 3 -1.828 3.961 -0.308
12 HB2 LYS 3 HB2 LYS 3 -3.112 6.078 0.684
13 HB3 LYS 3 HB1 LYS 3 -3.683 6.193 -0.980
14 HG2 LYS 3 HG2 LYS 3 -4.338 3.768 -0.850
15 HG3 LYS 3 HG1 LYS 3 -3.929 3.802 0.865
16 HD2 LYS 3 HD2 LYS 3 -5.540 5.771 1.074
17 HD3 LYS 3 HD1 LYS 3 -6.088 5.372 -0.556
18 HE2 LYS 3 HE2 LYS 3 -7.567 4.238 0.957
19 HE3 LYS 3 HE1 LYS 3 -6.498 3.008 0.282
20 HZ1 LYS 3 HZ1 LYS 3 -6.918 3.435 2.916
21 HZ2 LYS 3 HZ2 LYS 3 -5.578 2.622 2.261
22 HZ3 LYS 3 HZ3 LYS 3 -5.462 4.269 2.650
23 H LYS 4 HN LYS 4 -1.182 3.007 -2.167
24 HA LYS 4 HA LYS 4 -1.291 2.453 -4.401
25 HB2 LYS 4 HB2 LYS 4 -3.588 3.896 -4.045
26 HB3 LYS 4 HB1 LYS 4 -2.758 4.851 -5.276
27 HG2 LYS 4 HG2 LYS 4 -2.467 2.824 -6.654
28 HG3 LYS 4 HG1 LYS 4 -3.297 1.867 -5.426
29 HD2 LYS 4 HD2 LYS 4 -4.706 4.293 -6.433
30 HD3 LYS 4 HD1 LYS 4 -4.598 2.913 -7.525
31 HE2 LYS 4 HE2 LYS 4 -5.839 1.531 -6.121
32 HE3 LYS 4 HE1 LYS 4 -5.429 2.458 -4.677
33 HZ1 LYS 4 HZ1 LYS 4 -7.160 3.451 -6.875
34 HZ2 LYS 4 HZ2 LYS 4 -7.738 2.785 -5.423
35 HZ3 LYS 4 HZ3 LYS 4 -6.846 4.228 -5.396
36 H GLU 5 HN GLU 5 -0.246 5.476 -3.214
37 HA GLU 5 HA GLU 5 0.949 6.450 -5.642
38 HB2 GLU 5 HB2 GLU 5 1.721 7.239 -2.834
39 HB3 GLU 5 HB1 GLU 5 1.841 8.199 -4.310
40 HG2 GLU 5 HG2 GLU 5 -0.827 7.595 -4.284
41 HG3 GLU 5 HG1 GLU 5 -0.488 7.723 -2.560
42 H CYS 6 HN CYS 6 1.594 3.687 -4.449
43 HA CYS 6 HA CYS 6 4.504 3.926 -4.825
44 HB2 CYS 6 HB2 CYS 6 4.884 2.316 -2.987
45 HB3 CYS 6 HB1 CYS 6 4.151 3.811 -2.406
46 H SER 7 HN SER 7 1.843 2.802 -6.111
47 HA SER 7 HA SER 7 2.553 0.007 -6.479
48 HB2 SER 7 HB2 SER 7 0.531 -0.125 -7.806
49 HB3 SER 7 HB1 SER 7 0.179 0.768 -6.329
50 HG SER 7 HG SER 7 -0.250 2.452 -7.502
51 H GLY 8 HN GLY 8 3.583 -0.856 -8.196
52 HA2 GLY 8 HA2 GLY 8 4.318 0.973 -10.411
53 HA3 GLY 8 HA1 GLY 8 5.416 -0.236 -9.757
54 H SER 9 HN SER 9 5.246 -2.352 -10.410
55 HA SER 9 HA SER 9 3.235 -2.904 -12.512
56 HB2 SER 9 HB2 SER 9 5.468 -2.858 -13.450
57 HB3 SER 9 HB1 SER 9 6.055 -3.949 -12.199
58 HG SER 9 HG SER 9 5.426 -5.499 -13.458
59 H ARG 10 HN ARG 10 5.334 -4.639 -10.198
60 HA ARG 10 HA ARG 10 3.022 -6.362 -9.540
61 HB2 ARG 10 HB2 ARG 10 5.877 -7.182 -10.090
62 HB3 ARG 10 HB1 ARG 10 4.722 -8.223 -9.256
63 HG2 ARG 10 HG2 ARG 10 3.387 -8.489 -11.145
64 HG3 ARG 10 HG1 ARG 10 3.940 -6.980 -11.873
65 HD2 ARG 10 HD2 ARG 10 5.913 -9.194 -11.430
66 HD3 ARG 10 HD1 ARG 10 4.812 -9.290 -12.801
67 HE ARG 10 HE ARG 10 5.806 -6.801 -13.073
68 HH11 ARG 10 HH11 ARG 10 7.277 -9.866 -12.429
69 HH12 ARG 10 HH12 ARG 10 8.768 -9.473 -13.219
70 HH21 ARG 10 HH21 ARG 10 7.758 -6.278 -14.112
71 HH22 ARG 10 HH22 ARG 10 9.039 -7.442 -14.172
72 H ARG 11 HN ARG 11 4.245 -3.964 -8.243
73 HA ARG 11 HA ARG 11 4.613 -5.175 -5.590
74 HB2 ARG 11 HB2 ARG 11 6.872 -4.774 -6.334
75 HB3 ARG 11 HB1 ARG 11 6.463 -3.136 -6.846
76 HG2 ARG 11 HG2 ARG 11 5.763 -3.702 -4.045
77 HG3 ARG 11 HG1 ARG 11 7.490 -3.808 -4.376
78 HD2 ARG 11 HD2 ARG 11 5.795 -1.466 -5.265
79 HD3 ARG 11 HD1 ARG 11 6.654 -1.498 -3.732
80 HE ARG 11 HE ARG 11 8.322 -2.079 -6.026
81 HH11 ARG 11 HH11 ARG 11 6.934 0.337 -3.972
82 HH12 ARG 11 HH12 ARG 11 8.151 1.522 -4.312
83 HH21 ARG 11 HH21 ARG 11 9.921 -0.530 -6.477
84 HH22 ARG 11 HH22 ARG 11 9.843 1.031 -5.730
85 H THR 12 HN THR 12 3.344 -4.222 -4.137
86 HA THR 12 HA THR 12 2.837 -1.377 -4.176
87 HB THR 12 HB THR 12 0.611 -3.337 -4.786
88 HG1 THR 12 HG1 THR 12 2.182 -1.843 -6.282
89 HG21 THR 12 HG21 THR 12 0.622 -0.627 -3.574
90 HG22 THR 12 HG22 THR 12 -0.562 -0.904 -4.852
91 HG23 THR 12 HG23 THR 12 -0.558 -1.929 -3.416
92 H LYS 13 HN LYS 13 2.536 -4.538 -2.795
93 HA LYS 13 HA LYS 13 1.168 -3.720 -0.399
94 HB2 LYS 13 HB2 LYS 13 2.556 -6.215 -1.312
95 HB3 LYS 13 HB1 LYS 13 2.122 -6.021 0.387
96 HG2 LYS 13 HG2 LYS 13 0.335 -7.168 -0.915
97 HG3 LYS 13 HG1 LYS 13 -0.219 -5.645 -0.219
98 HD2 LYS 13 HD2 LYS 13 -0.071 -4.516 -2.308
99 HD3 LYS 13 HD1 LYS 13 0.883 -5.813 -3.028
100 HE2 LYS 13 HE2 LYS 13 -1.871 -6.402 -1.982
101 HE3 LYS 13 HE1 LYS 13 -1.681 -5.654 -3.568
102 HZ1 LYS 13 HZ1 LYS 13 -0.530 -8.233 -2.655
103 HZ2 LYS 13 HZ2 LYS 13 -1.717 -8.004 -3.849
104 HZ3 LYS 13 HZ3 LYS 13 -0.128 -7.483 -4.125
105 H LYS 14 HN LYS 14 4.379 -3.517 -1.524
106 HA LYS 14 HA LYS 14 5.840 -3.751 0.873
107 HB2 LYS 14 HB2 LYS 14 6.802 -3.637 -1.451
108 HB3 LYS 14 HB1 LYS 14 6.476 -1.904 -1.433
109 HG2 LYS 14 HG2 LYS 14 7.858 -1.707 0.639
110 HG3 LYS 14 HG1 LYS 14 8.253 -3.416 0.499
111 HD2 LYS 14 HD2 LYS 14 8.867 -2.576 -2.008
112 HD3 LYS 14 HD1 LYS 14 9.224 -1.113 -1.092
113 HE2 LYS 14 HE2 LYS 14 11.252 -2.363 -1.083
114 HE3 LYS 14 HE1 LYS 14 10.541 -2.616 0.511
115 HZ1 LYS 14 HZ1 LYS 14 11.005 -4.499 -1.607
116 HZ2 LYS 14 HZ2 LYS 14 10.754 -4.771 0.052
117 HZ3 LYS 14 HZ3 LYS 14 9.425 -4.576 -0.984
118 H CYS 15 HN CYS 15 3.768 -1.253 -0.341
119 HA CYS 15 HA CYS 15 4.466 0.421 1.996
120 HB2 CYS 15 HB2 CYS 15 4.859 2.184 0.677
121 HB3 CYS 15 HB1 CYS 15 4.737 1.111 -0.718
122 H MET 16 HN MET 16 1.975 -0.621 -0.283
123 HA MET 16 HA MET 16 -0.206 0.738 0.871
124 HB2 MET 16 HB2 MET 16 -0.140 -0.456 -1.370
125 HB3 MET 16 HB1 MET 16 -0.357 -1.959 -0.475
126 HG2 MET 16 HG2 MET 16 -2.377 -0.772 0.624
127 HG3 MET 16 HG1 MET 16 -2.243 0.380 -0.704
128 HE1 MET 16 HE1 MET 16 -4.257 0.110 -2.045
129 HE2 MET 16 HE2 MET 16 -2.818 0.013 -3.058
130 HE3 MET 16 HE3 MET 16 -4.195 -1.055 -3.364
131 H GLN 17 HN GLN 17 1.415 -2.255 1.711
132 HA GLN 17 HA GLN 17 -0.631 -3.141 3.538
133 HB2 GLN 17 HB2 GLN 17 1.053 -4.627 2.326
134 HB3 GLN 17 HB1 GLN 17 2.250 -4.042 3.480
135 HG2 GLN 17 HG2 GLN 17 1.461 -5.977 4.532
136 HG3 GLN 17 HG1 GLN 17 0.478 -4.719 5.279
137 HE21 GLN 17 HE21 GLN 17 -1.787 -4.532 4.577
138 HE22 GLN 17 HE22 GLN 17 -2.547 -5.808 3.755
139 H LYS 18 HN LYS 18 2.267 -1.190 3.704
140 HA LYS 18 HA LYS 18 2.436 -1.235 6.584
141 HB2 LYS 18 HB2 LYS 18 3.710 0.863 4.855
142 HB3 LYS 18 HB1 LYS 18 4.309 0.136 6.346
143 HG2 LYS 18 HG2 LYS 18 4.106 -1.190 3.629
144 HG3 LYS 18 HG1 LYS 18 5.580 -0.785 4.507
145 HD2 LYS 18 HD2 LYS 18 4.522 -2.291 6.387
146 HD3 LYS 18 HD1 LYS 18 3.580 -2.955 5.060
147 HE2 LYS 18 HE2 LYS 18 6.607 -2.773 5.097
148 HE3 LYS 18 HE1 LYS 18 5.683 -4.230 5.453
149 HZ1 LYS 18 HZ1 LYS 18 5.727 -2.723 2.898
150 HZ2 LYS 18 HZ2 LYS 18 6.325 -4.289 3.176
151 HZ3 LYS 18 HZ3 LYS 18 4.655 -3.999 3.227
152 H CYS 19 HN CYS 19 0.991 0.815 4.130
153 HA CYS 19 HA CYS 19 0.326 2.926 5.998
154 HB2 CYS 19 HB2 CYS 19 -0.458 2.411 3.123
155 HB3 CYS 19 HB1 CYS 19 -0.983 3.820 4.044
156 H ASN 20 HN ASN 20 -1.318 0.220 4.423
157 HA ASN 20 HA ASN 20 -3.954 0.734 5.030
158 HB2 ASN 20 HB2 ASN 20 -3.259 -1.209 3.725
159 HB3 ASN 20 HB1 ASN 20 -2.517 -1.926 5.154
160 HD21 ASN 20 HD21 ASN 20 -4.009 -2.572 6.945
161 HD22 ASN 20 HD22 ASN 20 -5.634 -2.913 6.595
162 H ARG 21 HN ARG 21 -1.392 -0.395 7.158
163 HA ARG 21 HA ARG 21 -3.229 -0.802 9.379
164 HB2 ARG 21 HB2 ARG 21 -0.235 -1.050 9.117
165 HB3 ARG 21 HB1 ARG 21 -1.100 -1.311 10.630
166 HG2 ARG 21 HG2 ARG 21 -2.301 -2.751 8.381
167 HG3 ARG 21 HG1 ARG 21 -0.633 -3.238 8.689
168 HD2 ARG 21 HD2 ARG 21 -1.159 -3.657 11.040
169 HD3 ARG 21 HD1 ARG 21 -2.807 -3.090 10.795
170 HE ARG 21 HE ARG 21 -2.339 -5.170 8.971
171 HH11 ARG 21 HH11 ARG 21 -2.531 -4.607 12.380
172 HH12 ARG 21 HH12 ARG 21 -3.098 -6.201 12.751
173 HH21 ARG 21 HH21 ARG 21 -3.082 -7.262 9.449
174 HH22 ARG 21 HH22 ARG 21 -3.409 -7.704 11.092
175 H GLU 22 HN GLU 22 -0.357 1.232 8.774
176 HA GLU 22 HA GLU 22 -0.489 2.836 11.024
177 HB2 GLU 22 HB2 GLU 22 0.856 2.895 8.496
178 HB3 GLU 22 HB1 GLU 22 0.249 4.512 8.854
179 HG2 GLU 22 HG2 GLU 22 1.281 4.370 11.112
180 HG3 GLU 22 HG1 GLU 22 1.945 2.794 10.687
181 H HIS 23 HN HIS 23 -2.247 3.148 7.974
182 HA HIS 23 HA HIS 23 -3.576 5.579 8.855
183 HB2 HIS 23 HB2 HIS 23 -2.904 4.639 6.383
184 HB3 HIS 23 HB1 HIS 23 -4.607 4.187 6.469
185 HD1 HIS 23 HD1 HIS 23 -3.378 6.560 4.687
186 HD2 HIS 23 HD2 HIS 23 -5.378 6.992 8.320
187 HE1 HIS 23 HE1 HIS 23 -4.275 8.928 4.735
188 HE2 HIS 23 HE2 HIS 23 -5.497 9.206 6.942
189 H GLY 24 HN GLY 24 -3.921 2.507 9.751
190 HA2 GLY 24 HA2 GLY 24 -6.809 2.248 9.501
191 HA3 GLY 24 HA1 GLY 24 -5.718 1.106 10.278
192 H HIS 25 HN HIS 25 -4.538 3.562 11.720
193 HA HIS 25 HA HIS 25 -5.548 3.243 14.217
194 HB2 HIS 25 HB2 HIS 25 -3.629 4.694 13.707
195 HB3 HIS 25 HB1 HIS 25 -4.718 5.890 13.004
196 HD1 HIS 25 HD1 HIS 25 -6.834 6.445 14.857
197 HD2 HIS 25 HD2 HIS 25 -3.089 5.350 16.325
198 HE1 HIS 25 HE1 HIS 25 -6.745 7.241 17.259
199 HE2 HIS 25 HE2 HIS 25 -4.468 6.581 18.168
200 HN1 NH2 26 H1 HIS 25 -7.312 4.103 15.450
201 HN2 NH2 26 H2 HIS 25 -8.625 4.897 14.725
Start of MODEL 3
1 H1 SER 1 HN SER 1 -3.377 8.077 -2.495
2 HA SER 1 HA SER 1 -1.649 10.112 -1.581
3 HB2 SER 1 HB2 SER 1 -4.088 9.459 -0.853
4 HB3 SER 1 HB1 SER 1 -3.255 8.468 0.341
5 HG SER 1 HG SER 1 -3.642 11.129 0.296
6 H CYS 2 HN CYS 2 -1.569 6.644 -1.237
7 HA CYS 2 HA CYS 2 1.109 6.777 -0.145
8 HB2 CYS 2 HB2 CYS 2 0.738 5.843 1.948
9 HB3 CYS 2 HB1 CYS 2 -0.656 6.912 1.795
10 H LYS 3 HN LYS 3 -1.562 5.104 -1.535
11 HA LYS 3 HA LYS 3 -0.254 2.519 -1.622
12 HB2 LYS 3 HB2 LYS 3 -2.557 3.139 -3.401
13 HB3 LYS 3 HB1 LYS 3 -2.245 1.708 -2.416
14 HG2 LYS 3 HG2 LYS 3 -2.615 3.248 -0.382
15 HG3 LYS 3 HG1 LYS 3 -3.313 4.390 -1.530
16 HD2 LYS 3 HD2 LYS 3 -4.840 2.524 -2.309
17 HD3 LYS 3 HD1 LYS 3 -4.253 1.572 -0.944
18 HE2 LYS 3 HE2 LYS 3 -5.044 3.266 0.627
19 HE3 LYS 3 HE1 LYS 3 -5.545 4.304 -0.707
20 HZ1 LYS 3 HZ1 LYS 3 -6.603 1.578 -0.197
21 HZ2 LYS 3 HZ2 LYS 3 -7.387 3.017 0.247
22 HZ3 LYS 3 HZ3 LYS 3 -7.135 2.661 -1.392
23 H LYS 4 HN LYS 4 -1.315 4.870 -4.095
24 HA LYS 4 HA LYS 4 0.335 3.608 -6.113
25 HB2 LYS 4 HB2 LYS 4 -1.828 5.545 -6.038
26 HB3 LYS 4 HB1 LYS 4 -0.520 6.080 -7.093
27 HG2 LYS 4 HG2 LYS 4 -2.054 4.727 -8.402
28 HG3 LYS 4 HG1 LYS 4 -0.557 3.821 -8.187
29 HD2 LYS 4 HD2 LYS 4 -2.135 3.181 -5.948
30 HD3 LYS 4 HD1 LYS 4 -3.238 3.139 -7.323
31 HE2 LYS 4 HE2 LYS 4 -0.586 1.681 -7.136
32 HE3 LYS 4 HE1 LYS 4 -2.181 0.941 -7.009
33 HZ1 LYS 4 HZ1 LYS 4 -2.471 2.205 -9.299
34 HZ2 LYS 4 HZ2 LYS 4 -0.789 1.971 -9.355
35 HZ3 LYS 4 HZ3 LYS 4 -1.824 0.637 -9.208
36 H GLU 5 HN GLU 5 0.882 5.804 -3.643
37 HA GLU 5 HA GLU 5 2.934 7.322 -5.074
38 HB2 GLU 5 HB2 GLU 5 2.104 7.477 -2.167
39 HB3 GLU 5 HB1 GLU 5 3.119 8.629 -3.036
40 HG2 GLU 5 HG2 GLU 5 0.987 8.633 -4.675
41 HG3 GLU 5 HG1 GLU 5 0.173 8.227 -3.164
42 H CYS 6 HN CYS 6 2.982 4.336 -4.244
43 HA CYS 6 HA CYS 6 5.777 4.366 -3.416
44 HB2 CYS 6 HB2 CYS 6 4.781 4.298 -1.249
45 HB3 CYS 6 HB1 CYS 6 3.579 3.113 -1.764
46 H SER 7 HN SER 7 2.949 2.723 -4.620
47 HA SER 7 HA SER 7 3.692 0.139 -5.005
48 HB2 SER 7 HB2 SER 7 1.570 1.006 -5.830
49 HB3 SER 7 HB1 SER 7 2.406 1.962 -7.051
50 HG SER 7 HG SER 7 2.109 0.214 -8.202
51 H GLY 8 HN GLY 8 4.740 -1.027 -6.714
52 HA2 GLY 8 HA2 GLY 8 7.166 0.309 -7.628
53 HA3 GLY 8 HA1 GLY 8 6.826 -1.417 -7.714
54 H SER 9 HN SER 9 5.867 -2.268 -9.526
55 HA SER 9 HA SER 9 5.269 -0.368 -11.715
56 HB2 SER 9 HB2 SER 9 6.165 -2.027 -13.285
57 HB3 SER 9 HB1 SER 9 7.391 -1.553 -12.114
58 HG SER 9 HG SER 9 7.512 -3.624 -11.763
59 H ARG 10 HN ARG 10 4.241 -3.015 -9.807
60 HA ARG 10 HA ARG 10 1.628 -2.986 -10.990
61 HB2 ARG 10 HB2 ARG 10 1.549 -5.199 -11.879
62 HB3 ARG 10 HB1 ARG 10 2.978 -4.437 -12.578
63 HG2 ARG 10 HG2 ARG 10 4.259 -5.460 -10.574
64 HG3 ARG 10 HG1 ARG 10 2.838 -6.486 -10.368
65 HD2 ARG 10 HD2 ARG 10 3.075 -7.083 -12.837
66 HD3 ARG 10 HD1 ARG 10 4.651 -6.300 -12.780
67 HE ARG 10 HE ARG 10 5.456 -8.166 -11.674
68 HH11 ARG 10 HH11 ARG 10 2.010 -7.983 -11.413
69 HH12 ARG 10 HH12 ARG 10 1.851 -9.514 -10.620
70 HH21 ARG 10 HH21 ARG 10 5.255 -10.175 -10.634
71 HH22 ARG 10 HH22 ARG 10 3.687 -10.755 -10.178
72 H ARG 11 HN ARG 11 3.874 -3.802 -8.595
73 HA ARG 11 HA ARG 11 1.890 -5.313 -7.027
74 HB2 ARG 11 HB2 ARG 11 4.316 -6.113 -7.348
75 HB3 ARG 11 HB1 ARG 11 4.754 -4.815 -6.236
76 HG2 ARG 11 HG2 ARG 11 2.681 -5.939 -4.882
77 HG3 ARG 11 HG1 ARG 11 3.332 -7.359 -5.704
78 HD2 ARG 11 HD2 ARG 11 4.694 -5.529 -3.739
79 HD3 ARG 11 HD1 ARG 11 4.573 -7.286 -3.710
80 HE ARG 11 HE ARG 11 6.528 -5.713 -5.156
81 HH11 ARG 11 HH11 ARG 11 4.821 -8.712 -4.894
82 HH12 ARG 11 HH12 ARG 11 6.030 -9.632 -5.725
83 HH21 ARG 11 HH21 ARG 11 8.118 -6.913 -6.249
84 HH22 ARG 11 HH22 ARG 11 7.896 -8.613 -6.494
85 H THR 12 HN THR 12 1.160 -4.600 -5.048
86 HA THR 12 HA THR 12 2.159 -2.065 -3.985
87 HB THR 12 HB THR 12 -0.763 -2.472 -4.663
88 HG1 THR 12 HG1 THR 12 1.360 -1.122 -5.909
89 HG21 THR 12 HG21 THR 12 0.653 -0.699 -2.874
90 HG22 THR 12 HG22 THR 12 -0.125 0.228 -4.158
91 HG23 THR 12 HG23 THR 12 -1.084 -0.848 -3.141
92 H LYS 13 HN LYS 13 0.256 -4.976 -3.682
93 HA LYS 13 HA LYS 13 -0.920 -4.861 -1.244
94 HB2 LYS 13 HB2 LYS 13 0.825 -7.152 -2.182
95 HB3 LYS 13 HB1 LYS 13 -0.466 -7.248 -0.983
96 HG2 LYS 13 HG2 LYS 13 -2.121 -6.600 -2.660
97 HG3 LYS 13 HG1 LYS 13 -0.851 -6.394 -3.867
98 HD2 LYS 13 HD2 LYS 13 -0.502 -8.673 -4.093
99 HD3 LYS 13 HD1 LYS 13 -1.054 -9.025 -2.455
100 HE2 LYS 13 HE2 LYS 13 -2.697 -9.806 -4.121
101 HE3 LYS 13 HE1 LYS 13 -3.374 -8.519 -3.123
102 HZ1 LYS 13 HZ1 LYS 13 -3.464 -7.110 -4.847
103 HZ2 LYS 13 HZ2 LYS 13 -1.993 -7.640 -5.513
104 HZ3 LYS 13 HZ3 LYS 13 -3.415 -8.521 -5.793
105 H LYS 14 HN LYS 14 2.479 -4.674 -1.886
106 HA LYS 14 HA LYS 14 3.397 -5.337 0.739
107 HB2 LYS 14 HB2 LYS 14 4.765 -5.346 -1.412
108 HB3 LYS 14 HB1 LYS 14 4.839 -3.591 -1.256
109 HG2 LYS 14 HG2 LYS 14 5.682 -4.011 1.140
110 HG3 LYS 14 HG1 LYS 14 5.939 -5.680 0.627
111 HD2 LYS 14 HD2 LYS 14 7.155 -4.495 -1.422
112 HD3 LYS 14 HD1 LYS 14 7.345 -3.190 -0.251
113 HE2 LYS 14 HE2 LYS 14 8.301 -4.871 1.361
114 HE3 LYS 14 HE1 LYS 14 8.270 -6.058 0.056
115 HZ1 LYS 14 HZ1 LYS 14 10.284 -4.301 0.578
116 HZ2 LYS 14 HZ2 LYS 14 10.072 -5.174 -0.864
117 HZ3 LYS 14 HZ3 LYS 14 9.476 -3.591 -0.737
118 H CYS 15 HN CYS 15 3.540 -2.181 -0.923
119 HA CYS 15 HA CYS 15 3.862 -0.698 1.467
120 HB2 CYS 15 HB2 CYS 15 3.812 -0.170 -1.327
121 HB3 CYS 15 HB1 CYS 15 2.661 0.923 -0.559
122 H MET 16 HN MET 16 1.036 -1.658 -0.400
123 HA MET 16 HA MET 16 -0.896 0.016 0.710
124 HB2 MET 16 HB2 MET 16 -0.959 -1.973 -1.115
125 HB3 MET 16 HB1 MET 16 -1.684 -2.806 0.261
126 HG2 MET 16 HG2 MET 16 -3.262 -0.872 0.526
127 HG3 MET 16 HG1 MET 16 -2.604 -0.190 -0.962
128 HE1 MET 16 HE1 MET 16 -5.461 -0.718 -0.276
129 HE2 MET 16 HE2 MET 16 -6.280 -2.039 -1.106
130 HE3 MET 16 HE3 MET 16 -5.451 -2.334 0.428
131 H GLN 17 HN GLN 17 -0.171 -3.333 1.727
132 HA GLN 17 HA GLN 17 -1.745 -3.384 4.014
133 HB2 GLN 17 HB2 GLN 17 0.559 -4.906 2.993
134 HB3 GLN 17 HB1 GLN 17 0.380 -4.940 4.746
135 HG2 GLN 17 HG2 GLN 17 -0.878 -6.774 3.595
136 HG3 GLN 17 HG1 GLN 17 -1.912 -5.716 4.552
137 HE21 GLN 17 HE21 GLN 17 -3.481 -4.427 3.435
138 HE22 GLN 17 HE22 GLN 17 -3.736 -4.543 1.761
139 H LYS 18 HN LYS 18 1.647 -2.375 3.673
140 HA LYS 18 HA LYS 18 2.127 -1.824 6.393
141 HB2 LYS 18 HB2 LYS 18 3.397 -1.118 3.807
142 HB3 LYS 18 HB1 LYS 18 3.770 -0.065 5.173
143 HG2 LYS 18 HG2 LYS 18 5.360 -1.989 4.953
144 HG3 LYS 18 HG1 LYS 18 4.512 -1.965 6.499
145 HD2 LYS 18 HD2 LYS 18 3.272 -3.835 6.006
146 HD3 LYS 18 HD1 LYS 18 3.214 -3.468 4.281
147 HE2 LYS 18 HE2 LYS 18 4.622 -5.470 4.804
148 HE3 LYS 18 HE1 LYS 18 5.523 -4.184 4.002
149 HZ1 LYS 18 HZ1 LYS 18 6.769 -3.818 5.806
150 HZ2 LYS 18 HZ2 LYS 18 5.470 -4.006 6.885
151 HZ3 LYS 18 HZ3 LYS 18 6.277 -5.372 6.285
152 H CYS 19 HN CYS 19 0.966 0.253 3.753
153 HA CYS 19 HA CYS 19 0.764 2.592 5.401
154 HB2 CYS 19 HB2 CYS 19 1.054 2.949 3.062
155 HB3 CYS 19 HB1 CYS 19 -0.301 1.893 2.663
156 H ASN 20 HN ASN 20 -1.235 -0.148 4.784
157 HA ASN 20 HA ASN 20 -3.735 1.087 5.491
158 HB2 ASN 20 HB2 ASN 20 -2.897 -1.812 5.285
159 HB3 ASN 20 HB1 ASN 20 -4.548 -1.277 5.596
160 HD21 ASN 20 HD21 ASN 20 -4.623 -2.623 3.366
161 HD22 ASN 20 HD22 ASN 20 -4.511 -1.665 1.968
162 H ARG 21 HN ARG 21 -1.329 -0.908 7.161
163 HA ARG 21 HA ARG 21 -2.803 -1.066 9.613
164 HB2 ARG 21 HB2 ARG 21 -0.144 -1.892 8.629
165 HB3 ARG 21 HB1 ARG 21 -0.224 -1.528 10.353
166 HG2 ARG 21 HG2 ARG 21 -2.260 -3.304 8.996
167 HG3 ARG 21 HG1 ARG 21 -0.761 -3.944 9.669
168 HD2 ARG 21 HD2 ARG 21 -1.552 -3.813 11.775
169 HD3 ARG 21 HD1 ARG 21 -2.077 -2.149 11.540
170 HE ARG 21 HE ARG 21 -3.859 -3.920 10.215
171 HH11 ARG 21 HH11 ARG 21 -2.858 -2.841 13.347
172 HH12 ARG 21 HH12 ARG 21 -4.393 -3.138 14.093
173 HH21 ARG 21 HH21 ARG 21 -5.875 -4.312 11.186
174 HH22 ARG 21 HH22 ARG 21 -6.101 -3.971 12.869
175 H GLU 22 HN GLU 22 -0.206 1.005 8.386
176 HA GLU 22 HA GLU 22 0.140 2.437 10.846
177 HB2 GLU 22 HB2 GLU 22 1.269 2.486 8.146
178 HB3 GLU 22 HB1 GLU 22 1.095 4.092 8.854
179 HG2 GLU 22 HG2 GLU 22 2.301 3.355 10.864
180 HG3 GLU 22 HG1 GLU 22 2.448 1.733 10.193
181 H HIS 23 HN HIS 23 -2.395 2.355 8.756
182 HA HIS 23 HA HIS 23 -3.015 5.179 8.661
183 HB2 HIS 23 HB2 HIS 23 -3.797 3.016 7.172
184 HB3 HIS 23 HB1 HIS 23 -5.208 3.277 8.198
185 HD1 HIS 23 HD1 HIS 23 -3.509 4.584 5.231
186 HD2 HIS 23 HD2 HIS 23 -6.210 6.066 8.039
187 HE1 HIS 23 HE1 HIS 23 -4.507 6.684 4.226
188 HE2 HIS 23 HE2 HIS 23 -6.155 7.599 5.926
189 H GLY 24 HN GLY 24 -3.170 2.832 11.032
190 HA2 GLY 24 HA2 GLY 24 -5.653 3.643 12.275
191 HA3 GLY 24 HA1 GLY 24 -4.453 2.542 12.948
192 H HIS 25 HN HIS 25 -3.197 5.499 11.791
193 HA HIS 25 HA HIS 25 -2.308 6.288 14.391
194 HB2 HIS 25 HB2 HIS 25 -2.012 7.274 11.613
195 HB3 HIS 25 HB1 HIS 25 -1.845 8.485 12.886
196 HD1 HIS 25 HD1 HIS 25 -0.814 4.874 13.292
197 HD2 HIS 25 HD2 HIS 25 0.970 8.614 12.838
198 HE1 HIS 25 HE1 HIS 25 1.660 4.544 13.719
199 HE2 HIS 25 HE2 HIS 25 2.762 6.815 13.446
200 HN1 NH2 26 H1 HIS 25 -2.964 8.216 15.585
201 HN2 NH2 26 H2 HIS 25 -4.484 8.928 15.334
Start of MODEL 4
1 H1 SER 1 HN SER 1 -0.435 9.561 -0.026
2 HA SER 1 HA SER 1 2.125 10.322 -1.267
3 HB2 SER 1 HB2 SER 1 1.336 10.796 1.507
4 HB3 SER 1 HB1 SER 1 2.823 9.863 1.368
5 HG SER 1 HG SER 1 2.762 11.872 -0.434
6 H CYS 2 HN CYS 2 -0.004 7.974 -0.073
7 HA CYS 2 HA CYS 2 1.788 5.841 -0.861
8 HB2 CYS 2 HB2 CYS 2 2.196 4.861 1.172
9 HB3 CYS 2 HB1 CYS 2 2.110 6.541 1.703
10 H LYS 3 HN LYS 3 -1.287 7.103 -0.001
11 HA LYS 3 HA LYS 3 -2.773 4.667 -0.008
12 HB2 LYS 3 HB2 LYS 3 -3.399 7.574 -0.084
13 HB3 LYS 3 HB1 LYS 3 -4.645 6.466 -0.660
14 HG2 LYS 3 HG2 LYS 3 -4.824 5.383 1.413
15 HG3 LYS 3 HG1 LYS 3 -3.236 5.935 1.945
16 HD2 LYS 3 HD2 LYS 3 -4.079 8.252 2.069
17 HD3 LYS 3 HD1 LYS 3 -5.670 7.700 1.544
18 HE2 LYS 3 HE2 LYS 3 -4.302 6.567 3.990
19 HE3 LYS 3 HE1 LYS 3 -5.350 7.984 4.070
20 HZ1 LYS 3 HZ1 LYS 3 -6.026 5.200 3.630
21 HZ2 LYS 3 HZ2 LYS 3 -6.939 6.442 4.344
22 HZ3 LYS 3 HZ3 LYS 3 -6.863 6.311 2.655
23 H LYS 4 HN LYS 4 -3.100 3.385 -1.698
24 HA LYS 4 HA LYS 4 -3.426 2.649 -3.847
25 HB2 LYS 4 HB2 LYS 4 -4.260 5.431 -4.624
26 HB3 LYS 4 HB1 LYS 4 -4.878 3.885 -5.204
27 HG2 LYS 4 HG2 LYS 4 -5.601 3.522 -2.719
28 HG3 LYS 4 HG1 LYS 4 -5.427 5.273 -2.593
29 HD2 LYS 4 HD2 LYS 4 -6.977 5.563 -4.494
30 HD3 LYS 4 HD1 LYS 4 -7.163 3.813 -4.606
31 HE2 LYS 4 HE2 LYS 4 -8.293 3.678 -2.543
32 HE3 LYS 4 HE1 LYS 4 -7.718 5.261 -2.022
33 HZ1 LYS 4 HZ1 LYS 4 -9.644 4.737 -4.221
34 HZ2 LYS 4 HZ2 LYS 4 -10.020 5.378 -2.693
35 HZ3 LYS 4 HZ3 LYS 4 -9.062 6.268 -3.773
36 H GLU 5 HN GLU 5 -1.111 4.762 -2.981
37 HA GLU 5 HA GLU 5 -0.002 5.062 -5.700
38 HB2 GLU 5 HB2 GLU 5 0.836 6.418 -3.128
39 HB3 GLU 5 HB1 GLU 5 1.467 6.757 -4.740
40 HG2 GLU 5 HG2 GLU 5 -0.273 8.091 -5.236
41 HG3 GLU 5 HG1 GLU 5 -1.436 6.878 -4.704
42 H CYS 6 HN CYS 6 2.646 5.538 -4.260
43 HA CYS 6 HA CYS 6 4.576 4.286 -4.106
44 HB2 CYS 6 HB2 CYS 6 3.618 4.167 -1.815
45 HB3 CYS 6 HB1 CYS 6 2.800 2.670 -2.263
46 H SER 7 HN SER 7 2.444 3.406 -6.110
47 HA SER 7 HA SER 7 2.799 0.541 -6.291
48 HB2 SER 7 HB2 SER 7 1.742 1.157 -8.669
49 HB3 SER 7 HB1 SER 7 0.763 1.060 -7.207
50 HG SER 7 HG SER 7 0.366 3.096 -7.474
51 H GLY 8 HN GLY 8 4.161 -0.570 -7.622
52 HA2 GLY 8 HA2 GLY 8 6.013 1.031 -9.296
53 HA3 GLY 8 HA1 GLY 8 6.565 -0.314 -8.300
54 H SER 9 HN SER 9 6.910 -2.116 -9.409
55 HA SER 9 HA SER 9 5.405 -2.564 -11.908
56 HB2 SER 9 HB2 SER 9 8.163 -2.859 -11.204
57 HB3 SER 9 HB1 SER 9 7.516 -4.441 -11.626
58 HG SER 9 HG SER 9 7.594 -2.065 -13.149
59 H ARG 10 HN ARG 10 3.560 -3.586 -11.241
60 HA ARG 10 HA ARG 10 2.208 -5.270 -10.457
61 HB2 ARG 10 HB2 ARG 10 4.616 -7.074 -10.587
62 HB3 ARG 10 HB1 ARG 10 2.924 -7.472 -10.889
63 HG2 ARG 10 HG2 ARG 10 3.022 -5.852 -12.853
64 HG3 ARG 10 HG1 ARG 10 4.771 -5.819 -12.625
65 HD2 ARG 10 HD2 ARG 10 3.061 -8.237 -13.253
66 HD3 ARG 10 HD1 ARG 10 4.272 -7.494 -14.295
67 HE ARG 10 HE ARG 10 4.766 -9.336 -12.138
68 HH11 ARG 10 HH11 ARG 10 6.001 -6.674 -13.970
69 HH12 ARG 10 HH12 ARG 10 7.663 -7.065 -13.678
70 HH21 ARG 10 HH21 ARG 10 6.944 -9.856 -11.751
71 HH22 ARG 10 HH22 ARG 10 8.197 -8.866 -12.423
72 H ARG 11 HN ARG 11 3.913 -3.686 -8.562
73 HA ARG 11 HA ARG 11 3.486 -5.422 -6.237
74 HB2 ARG 11 HB2 ARG 11 5.830 -5.744 -6.725
75 HB3 ARG 11 HB1 ARG 11 6.090 -4.006 -6.845
76 HG2 ARG 11 HG2 ARG 11 4.826 -4.805 -4.320
77 HG3 ARG 11 HG1 ARG 11 6.421 -5.520 -4.551
78 HD2 ARG 11 HD2 ARG 11 5.856 -2.580 -4.956
79 HD3 ARG 11 HD1 ARG 11 6.417 -3.247 -3.427
80 HE ARG 11 HE ARG 11 8.295 -4.181 -5.072
81 HH11 ARG 11 HH11 ARG 11 6.779 -1.070 -4.887
82 HH12 ARG 11 HH12 ARG 11 8.161 -0.212 -5.479
83 HH21 ARG 11 HH21 ARG 11 10.109 -3.056 -5.845
84 HH22 ARG 11 HH22 ARG 11 10.045 -1.334 -6.019
85 H THR 12 HN THR 12 2.590 -4.354 -4.577
86 HA THR 12 HA THR 12 3.045 -1.546 -4.114
87 HB THR 12 HB THR 12 0.280 -2.439 -4.962
88 HG1 THR 12 HG1 THR 12 2.424 -1.352 -6.287
89 HG21 THR 12 HG21 THR 12 1.432 0.130 -3.890
90 HG22 THR 12 HG22 THR 12 -0.016 0.135 -4.898
91 HG23 THR 12 HG23 THR 12 -0.012 -0.735 -3.364
92 H LYS 13 HN LYS 13 1.505 -4.571 -3.368
93 HA LYS 13 HA LYS 13 0.314 -3.763 -0.892
94 HB2 LYS 13 HB2 LYS 13 1.063 -6.476 -1.999
95 HB3 LYS 13 HB1 LYS 13 0.209 -6.245 -0.473
96 HG2 LYS 13 HG2 LYS 13 -1.747 -5.896 -1.536
97 HG3 LYS 13 HG1 LYS 13 -1.019 -4.686 -2.592
98 HD2 LYS 13 HD2 LYS 13 -0.182 -6.428 -4.081
99 HD3 LYS 13 HD1 LYS 13 -0.782 -7.682 -2.995
100 HE2 LYS 13 HE2 LYS 13 -2.795 -7.597 -3.993
101 HE3 LYS 13 HE1 LYS 13 -2.939 -5.892 -3.566
102 HZ1 LYS 13 HZ1 LYS 13 -3.074 -6.174 -5.943
103 HZ2 LYS 13 HZ2 LYS 13 -1.646 -5.344 -5.550
104 HZ3 LYS 13 HZ3 LYS 13 -1.583 -6.986 -5.969
105 H LYS 14 HN LYS 14 3.462 -3.831 -1.739
106 HA LYS 14 HA LYS 14 4.586 -5.097 0.604
107 HB2 LYS 14 HB2 LYS 14 5.627 -4.742 -1.792
108 HB3 LYS 14 HB1 LYS 14 6.130 -3.194 -1.111
109 HG2 LYS 14 HG2 LYS 14 7.935 -4.485 -0.470
110 HG3 LYS 14 HG1 LYS 14 6.885 -4.741 0.925
111 HD2 LYS 14 HD2 LYS 14 6.034 -6.818 -0.079
112 HD3 LYS 14 HD1 LYS 14 7.053 -6.561 -1.496
113 HE2 LYS 14 HE2 LYS 14 8.027 -6.961 1.348
114 HE3 LYS 14 HE1 LYS 14 8.138 -8.136 0.036
115 HZ1 LYS 14 HZ1 LYS 14 10.156 -7.196 -0.207
116 HZ2 LYS 14 HZ2 LYS 14 9.290 -6.043 -1.106
117 HZ3 LYS 14 HZ3 LYS 14 9.696 -5.726 0.510
118 H CYS 15 HN CYS 15 4.470 -1.740 -0.610
119 HA CYS 15 HA CYS 15 5.200 -0.745 2.040
120 HB2 CYS 15 HB2 CYS 15 5.120 1.493 0.849
121 HB3 CYS 15 HB1 CYS 15 6.316 0.352 0.236
122 H MET 16 HN MET 16 2.438 -0.890 -0.124
123 HA MET 16 HA MET 16 0.779 0.987 1.152
124 HB2 MET 16 HB2 MET 16 0.394 -0.157 -1.090
125 HB3 MET 16 HB1 MET 16 -0.173 -1.554 -0.176
126 HG2 MET 16 HG2 MET 16 -1.513 0.603 0.987
127 HG3 MET 16 HG1 MET 16 -1.544 0.954 -0.741
128 HE1 MET 16 HE1 MET 16 -4.980 -0.475 -0.779
129 HE2 MET 16 HE2 MET 16 -4.217 0.753 0.226
130 HE3 MET 16 HE3 MET 16 -3.824 0.645 -1.495
131 H GLN 17 HN GLN 17 1.250 -2.489 1.708
132 HA GLN 17 HA GLN 17 -0.734 -3.029 3.537
133 HB2 GLN 17 HB2 GLN 17 2.018 -4.057 3.087
134 HB3 GLN 17 HB1 GLN 17 1.258 -4.461 4.626
135 HG2 GLN 17 HG2 GLN 17 -0.175 -4.829 1.995
136 HG3 GLN 17 HG1 GLN 17 0.853 -6.087 2.680
137 HE21 GLN 17 HE21 GLN 17 -2.277 -4.595 2.871
138 HE22 GLN 17 HE22 GLN 17 -2.849 -5.490 4.195
139 H LYS 18 HN LYS 18 2.580 -2.164 4.493
140 HA LYS 18 HA LYS 18 2.088 -1.674 7.181
141 HB2 LYS 18 HB2 LYS 18 4.040 0.160 5.956
142 HB3 LYS 18 HB1 LYS 18 4.257 -1.014 7.253
143 HG2 LYS 18 HG2 LYS 18 4.163 -1.613 4.278
144 HG3 LYS 18 HG1 LYS 18 5.575 -1.710 5.327
145 HD2 LYS 18 HD2 LYS 18 3.692 -3.282 6.644
146 HD3 LYS 18 HD1 LYS 18 3.434 -3.667 4.945
147 HE2 LYS 18 HE2 LYS 18 6.057 -3.797 6.448
148 HE3 LYS 18 HE1 LYS 18 5.121 -5.161 5.836
149 HZ1 LYS 18 HZ1 LYS 18 6.831 -3.296 4.412
150 HZ2 LYS 18 HZ2 LYS 18 6.485 -4.927 4.082
151 HZ3 LYS 18 HZ3 LYS 18 5.386 -3.719 3.624
152 H CYS 19 HN CYS 19 1.742 0.476 4.406
153 HA CYS 19 HA CYS 19 1.148 2.808 5.957
154 HB2 CYS 19 HB2 CYS 19 1.908 2.503 3.420
155 HB3 CYS 19 HB1 CYS 19 0.164 2.545 3.156
156 H ASN 20 HN ASN 20 -0.679 0.114 4.763
157 HA ASN 20 HA ASN 20 -3.260 1.367 4.940
158 HB2 ASN 20 HB2 ASN 20 -2.829 -0.583 3.482
159 HB3 ASN 20 HB1 ASN 20 -2.539 -1.573 4.912
160 HD21 ASN 20 HD21 ASN 20 -4.363 -2.473 5.936
161 HD22 ASN 20 HD22 ASN 20 -5.966 -2.092 5.526
162 H ARG 21 HN ARG 21 -1.165 -0.373 7.121
163 HA ARG 21 HA ARG 21 -3.238 -0.694 9.137
164 HB2 ARG 21 HB2 ARG 21 -0.372 -1.492 8.874
165 HB3 ARG 21 HB1 ARG 21 -1.089 -1.413 10.482
166 HG2 ARG 21 HG2 ARG 21 -2.585 -3.132 10.051
167 HG3 ARG 21 HG1 ARG 21 -2.606 -2.816 8.316
168 HD2 ARG 21 HD2 ARG 21 -1.403 -4.913 8.831
169 HD3 ARG 21 HD1 ARG 21 -0.333 -3.717 8.103
170 HE ARG 21 HE ARG 21 0.040 -3.270 10.738
171 HH11 ARG 21 HH11 ARG 21 -0.049 -6.145 8.814
172 HH12 ARG 21 HH12 ARG 21 1.066 -7.015 9.815
173 HH21 ARG 21 HH21 ARG 21 1.505 -4.404 12.054
174 HH22 ARG 21 HH22 ARG 21 1.946 -6.029 11.649
175 H GLU 22 HN GLU 22 -0.408 1.325 8.530
176 HA GLU 22 HA GLU 22 -0.380 2.627 11.053
177 HB2 GLU 22 HB2 GLU 22 1.013 2.840 8.515
178 HB3 GLU 22 HB1 GLU 22 0.667 4.428 9.198
179 HG2 GLU 22 HG2 GLU 22 1.727 3.819 11.295
180 HG3 GLU 22 HG1 GLU 22 1.944 2.158 10.747
181 H HIS 23 HN HIS 23 -1.904 3.391 7.951
182 HA HIS 23 HA HIS 23 -3.106 5.812 9.058
183 HB2 HIS 23 HB2 HIS 23 -3.135 4.550 6.314
184 HB3 HIS 23 HB1 HIS 23 -4.102 5.967 6.726
185 HD1 HIS 23 HD1 HIS 23 -1.109 6.173 8.670
186 HD2 HIS 23 HD2 HIS 23 -2.052 7.030 4.700
187 HE1 HIS 23 HE1 HIS 23 0.714 7.712 7.816
188 HE2 HIS 23 HE2 HIS 23 0.153 8.243 5.397
189 H GLY 24 HN GLY 24 -3.773 2.833 9.710
190 HA2 GLY 24 HA2 GLY 24 -6.620 2.788 9.022
191 HA3 GLY 24 HA1 GLY 24 -5.711 1.482 9.777
192 H HIS 25 HN HIS 25 -4.976 4.429 11.214
193 HA HIS 25 HA HIS 25 -5.899 3.776 13.751
194 HB2 HIS 25 HB2 HIS 25 -4.247 5.566 13.261
195 HB3 HIS 25 HB1 HIS 25 -5.554 6.564 12.622
196 HD1 HIS 25 HD1 HIS 25 -5.975 4.382 15.665
197 HD2 HIS 25 HD2 HIS 25 -5.525 8.425 14.755
198 HE1 HIS 25 HE1 HIS 25 -6.450 5.655 17.803
199 HE2 HIS 25 HE2 HIS 25 -6.180 8.121 17.264
200 HN1 NH2 26 H1 HIS 25 -7.490 6.145 11.527
201 HN2 NH2 26 H2 HIS 25 -9.039 5.925 12.186
Start of MODEL 5
1 H1 SER 1 HN SER 1 -2.776 8.741 -0.259
2 HA SER 1 HA SER 1 -1.525 9.501 -2.359
3 HB2 SER 1 HB2 SER 1 -1.056 11.718 -0.398
4 HB3 SER 1 HB1 SER 1 0.177 11.351 -1.602
5 HG SER 1 HG SER 1 -2.482 11.521 -2.439
6 H CYS 2 HN CYS 2 -1.165 7.278 -1.224
7 HA CYS 2 HA CYS 2 1.672 7.133 -0.621
8 HB2 CYS 2 HB2 CYS 2 1.578 6.505 1.560
9 HB3 CYS 2 HB1 CYS 2 0.049 7.383 1.549
10 H LYS 3 HN LYS 3 -1.391 5.679 -1.371
11 HA LYS 3 HA LYS 3 -0.359 2.997 -1.661
12 HB2 LYS 3 HB2 LYS 3 -2.951 4.170 -2.693
13 HB3 LYS 3 HB1 LYS 3 -2.565 2.458 -2.520
14 HG2 LYS 3 HG2 LYS 3 -2.202 2.902 -0.045
15 HG3 LYS 3 HG1 LYS 3 -2.896 4.502 -0.313
16 HD2 LYS 3 HD2 LYS 3 -4.862 3.199 -1.430
17 HD3 LYS 3 HD1 LYS 3 -4.223 1.811 -0.549
18 HE2 LYS 3 HE2 LYS 3 -4.381 3.084 1.565
19 HE3 LYS 3 HE1 LYS 3 -5.043 4.459 0.681
20 HZ1 LYS 3 HZ1 LYS 3 -6.877 3.297 1.531
21 HZ2 LYS 3 HZ2 LYS 3 -6.809 2.866 -0.112
22 HZ3 LYS 3 HZ3 LYS 3 -6.252 1.786 1.070
23 H LYS 4 HN LYS 4 -1.607 5.433 -3.956
24 HA LYS 4 HA LYS 4 -0.447 3.985 -6.197
25 HB2 LYS 4 HB2 LYS 4 -1.927 6.624 -6.125
26 HB3 LYS 4 HB1 LYS 4 -1.518 5.702 -7.573
27 HG2 LYS 4 HG2 LYS 4 -3.347 4.417 -7.323
28 HG3 LYS 4 HG1 LYS 4 -2.853 3.982 -5.686
29 HD2 LYS 4 HD2 LYS 4 -3.894 5.986 -4.783
30 HD3 LYS 4 HD1 LYS 4 -4.278 6.559 -6.408
31 HE2 LYS 4 HE2 LYS 4 -6.272 5.546 -5.452
32 HE3 LYS 4 HE1 LYS 4 -5.673 4.504 -6.744
33 HZ1 LYS 4 HZ1 LYS 4 -4.402 3.785 -4.355
34 HZ2 LYS 4 HZ2 LYS 4 -6.073 3.862 -4.055
35 HZ3 LYS 4 HZ3 LYS 4 -5.479 2.865 -5.292
36 H GLU 5 HN GLU 5 0.818 5.962 -3.934
37 HA GLU 5 HA GLU 5 2.569 7.421 -5.806
38 HB2 GLU 5 HB2 GLU 5 2.359 7.796 -2.817
39 HB3 GLU 5 HB1 GLU 5 3.097 8.884 -3.992
40 HG2 GLU 5 HG2 GLU 5 0.154 8.180 -3.803
41 HG3 GLU 5 HG1 GLU 5 0.886 9.727 -3.379
42 H CYS 6 HN CYS 6 2.521 4.526 -4.341
43 HA CYS 6 HA CYS 6 5.462 4.465 -4.086
44 HB2 CYS 6 HB2 CYS 6 5.400 3.248 -2.082
45 HB3 CYS 6 HB1 CYS 6 4.156 4.475 -1.847
46 H SER 7 HN SER 7 2.453 2.705 -4.656
47 HA SER 7 HA SER 7 3.439 0.182 -5.260
48 HB2 SER 7 HB2 SER 7 1.433 -0.062 -6.698
49 HB3 SER 7 HB1 SER 7 1.049 0.647 -5.132
50 HG SER 7 HG SER 7 0.316 1.648 -7.306
51 H GLY 8 HN GLY 8 3.365 -0.756 -7.581
52 HA2 GLY 8 HA2 GLY 8 4.821 1.048 -9.426
53 HA3 GLY 8 HA1 GLY 8 5.359 -0.601 -9.124
54 H SER 9 HN SER 9 4.127 -2.351 -9.926
55 HA SER 9 HA SER 9 1.819 -1.777 -11.614
56 HB2 SER 9 HB2 SER 9 4.445 -2.796 -12.698
57 HB3 SER 9 HB1 SER 9 2.914 -3.037 -13.535
58 HG SER 9 HG SER 9 3.214 -0.479 -12.685
59 H ARG 10 HN ARG 10 4.173 -4.170 -10.468
60 HA ARG 10 HA ARG 10 2.001 -6.182 -10.409
61 HB2 ARG 10 HB2 ARG 10 3.726 -7.894 -10.609
62 HB3 ARG 10 HB1 ARG 10 3.856 -6.753 -11.947
63 HG2 ARG 10 HG2 ARG 10 5.459 -5.579 -10.046
64 HG3 ARG 10 HG1 ARG 10 5.744 -7.295 -9.755
65 HD2 ARG 10 HD2 ARG 10 6.258 -7.618 -12.145
66 HD3 ARG 10 HD1 ARG 10 5.974 -5.904 -12.440
67 HE ARG 10 HE ARG 10 8.099 -5.497 -11.628
68 HH11 ARG 10 HH11 ARG 10 6.932 -8.549 -10.492
69 HH12 ARG 10 HH12 ARG 10 8.417 -8.983 -9.714
70 HH21 ARG 10 HH21 ARG 10 10.048 -6.058 -10.611
71 HH22 ARG 10 HH22 ARG 10 10.182 -7.573 -9.780
72 H ARG 11 HN ARG 11 3.382 -4.076 -8.453
73 HA ARG 11 HA ARG 11 3.111 -5.833 -6.121
74 HB2 ARG 11 HB2 ARG 11 5.580 -5.575 -6.882
75 HB3 ARG 11 HB1 ARG 11 5.438 -3.932 -6.260
76 HG2 ARG 11 HG2 ARG 11 6.085 -4.931 -4.302
77 HG3 ARG 11 HG1 ARG 11 4.366 -5.290 -4.181
78 HD2 ARG 11 HD2 ARG 11 6.614 -7.093 -4.982
79 HD3 ARG 11 HD1 ARG 11 5.309 -7.389 -3.840
80 HE ARG 11 HE ARG 11 4.421 -7.060 -6.577
81 HH11 ARG 11 HH11 ARG 11 5.609 -9.216 -4.144
82 HH12 ARG 11 HH12 ARG 11 4.926 -10.632 -4.870
83 HH21 ARG 11 HH21 ARG 11 3.523 -8.913 -7.534
84 HH22 ARG 11 HH22 ARG 11 3.744 -10.461 -6.789
85 H THR 12 HN THR 12 2.706 -4.684 -4.152
86 HA THR 12 HA THR 12 2.444 -1.837 -4.080
87 HB THR 12 HB THR 12 -0.072 -3.490 -4.373
88 HG1 THR 12 HG1 THR 12 1.383 -1.748 -5.947
89 HG21 THR 12 HG21 THR 12 0.457 -0.785 -3.220
90 HG22 THR 12 HG22 THR 12 -1.000 -1.005 -4.190
91 HG23 THR 12 HG23 THR 12 -0.742 -1.990 -2.750
92 H LYS 13 HN LYS 13 2.034 -4.993 -2.741
93 HA LYS 13 HA LYS 13 1.140 -4.143 -0.142
94 HB2 LYS 13 HB2 LYS 13 2.460 -6.759 -0.881
95 HB3 LYS 13 HB1 LYS 13 1.422 -6.435 0.507
96 HG2 LYS 13 HG2 LYS 13 -0.336 -7.060 -0.754
97 HG3 LYS 13 HG1 LYS 13 -0.067 -5.619 -1.735
98 HD2 LYS 13 HD2 LYS 13 1.519 -6.881 -3.151
99 HD3 LYS 13 HD1 LYS 13 1.229 -8.325 -2.179
100 HE2 LYS 13 HE2 LYS 13 -1.022 -6.839 -3.542
101 HE3 LYS 13 HE1 LYS 13 -0.121 -8.117 -4.355
102 HZ1 LYS 13 HZ1 LYS 13 -0.798 -9.688 -2.776
103 HZ2 LYS 13 HZ2 LYS 13 -1.363 -8.503 -1.698
104 HZ3 LYS 13 HZ3 LYS 13 -2.204 -8.805 -3.139
105 H LYS 14 HN LYS 14 3.981 -3.655 -1.689
106 HA LYS 14 HA LYS 14 5.851 -4.326 0.388
107 HB2 LYS 14 HB2 LYS 14 7.493 -3.427 -1.010
108 HB3 LYS 14 HB1 LYS 14 6.283 -4.016 -2.149
109 HG2 LYS 14 HG2 LYS 14 5.274 -1.622 -1.955
110 HG3 LYS 14 HG1 LYS 14 6.857 -1.184 -1.312
111 HD2 LYS 14 HD2 LYS 14 7.917 -2.161 -3.346
112 HD3 LYS 14 HD1 LYS 14 6.309 -2.480 -3.998
113 HE2 LYS 14 HE2 LYS 14 6.029 0.135 -3.366
114 HE3 LYS 14 HE1 LYS 14 7.757 0.097 -3.714
115 HZ1 LYS 14 HZ1 LYS 14 5.824 -1.169 -5.546
116 HZ2 LYS 14 HZ2 LYS 14 6.130 0.500 -5.634
117 HZ3 LYS 14 HZ3 LYS 14 7.394 -0.607 -5.872
118 H CYS 15 HN CYS 15 3.903 -1.562 -0.441
119 HA CYS 15 HA CYS 15 5.015 -0.117 1.891
120 HB2 CYS 15 HB2 CYS 15 5.385 1.710 0.646
121 HB3 CYS 15 HB1 CYS 15 5.087 0.713 -0.779
122 H MET 16 HN MET 16 2.195 -0.949 -0.025
123 HA MET 16 HA MET 16 0.250 0.598 1.249
124 HB2 MET 16 HB2 MET 16 -0.078 -0.823 -0.800
125 HB3 MET 16 HB1 MET 16 -0.118 -2.232 0.258
126 HG2 MET 16 HG2 MET 16 -2.051 -1.369 1.439
127 HG3 MET 16 HG1 MET 16 -1.965 0.152 0.549
128 HE1 MET 16 HE1 MET 16 -3.158 -3.998 -0.826
129 HE2 MET 16 HE2 MET 16 -1.488 -3.589 -1.207
130 HE3 MET 16 HE3 MET 16 -2.062 -3.509 0.465
131 H GLN 17 HN GLN 17 1.697 -2.489 2.176
132 HA GLN 17 HA GLN 17 0.000 -3.271 4.225
133 HB2 GLN 17 HB2 GLN 17 2.264 -4.291 3.250
134 HB3 GLN 17 HB1 GLN 17 2.933 -3.525 4.691
135 HG2 GLN 17 HG2 GLN 17 2.322 -5.724 5.374
136 HG3 GLN 17 HG1 GLN 17 1.054 -4.669 5.996
137 HE21 GLN 17 HE21 GLN 17 -1.081 -5.034 5.259
138 HE22 GLN 17 HE22 GLN 17 -1.484 -6.187 4.080
139 H LYS 18 HN LYS 18 3.013 -1.397 4.667
140 HA LYS 18 HA LYS 18 2.538 -0.733 7.358
141 HB2 LYS 18 HB2 LYS 18 4.133 0.810 5.296
142 HB3 LYS 18 HB1 LYS 18 4.267 0.975 7.048
143 HG2 LYS 18 HG2 LYS 18 5.732 -0.730 7.093
144 HG3 LYS 18 HG1 LYS 18 4.498 -1.798 6.423
145 HD2 LYS 18 HD2 LYS 18 6.429 -1.817 4.945
146 HD3 LYS 18 HD1 LYS 18 5.103 -0.982 4.136
147 HE2 LYS 18 HE2 LYS 18 6.523 0.958 5.664
148 HE3 LYS 18 HE1 LYS 18 7.712 0.024 4.757
149 HZ1 LYS 18 HZ1 LYS 18 6.701 0.552 2.744
150 HZ2 LYS 18 HZ2 LYS 18 5.259 1.065 3.482
151 HZ3 LYS 18 HZ3 LYS 18 6.660 2.013 3.609
152 H CYS 19 HN CYS 19 1.546 0.796 4.353
153 HA CYS 19 HA CYS 19 0.560 3.196 5.585
154 HB2 CYS 19 HB2 CYS 19 1.158 2.493 3.017
155 HB3 CYS 19 HB1 CYS 19 -0.601 2.390 2.996
156 H ASN 20 HN ASN 20 -0.627 0.000 5.147
157 HA ASN 20 HA ASN 20 -3.429 0.656 5.298
158 HB2 ASN 20 HB2 ASN 20 -2.496 -1.432 4.233
159 HB3 ASN 20 HB1 ASN 20 -2.126 -2.014 5.855
160 HD21 ASN 20 HD21 ASN 20 -4.847 -0.989 3.760
161 HD22 ASN 20 HD22 ASN 20 -6.034 -1.844 4.623
162 H ARG 21 HN ARG 21 -0.911 -0.359 7.557
163 HA ARG 21 HA ARG 21 -2.684 -0.677 9.786
164 HB2 ARG 21 HB2 ARG 21 0.156 -0.965 9.247
165 HB3 ARG 21 HB1 ARG 21 -0.126 -0.164 10.792
166 HG2 ARG 21 HG2 ARG 21 -1.554 -2.708 9.977
167 HG3 ARG 21 HG1 ARG 21 -0.043 -2.703 10.887
168 HD2 ARG 21 HD2 ARG 21 -1.085 -2.138 12.803
169 HD3 ARG 21 HD1 ARG 21 -2.004 -0.860 12.016
170 HE ARG 21 HE ARG 21 -3.183 -3.225 11.197
171 HH11 ARG 21 HH11 ARG 21 -2.459 -1.632 14.182
172 HH12 ARG 21 HH12 ARG 21 -3.816 -2.300 15.027
173 HH21 ARG 21 HH21 ARG 21 -4.965 -4.103 12.298
174 HH22 ARG 21 HH22 ARG 21 -5.235 -3.698 13.961
175 H GLU 22 HN GLU 22 -0.693 1.940 8.513
176 HA GLU 22 HA GLU 22 -0.872 3.705 10.697
177 HB2 GLU 22 HB2 GLU 22 -0.088 3.841 7.888
178 HB3 GLU 22 HB1 GLU 22 -0.849 5.329 8.450
179 HG2 GLU 22 HG2 GLU 22 0.724 5.564 10.241
180 HG3 GLU 22 HG1 GLU 22 1.354 3.938 9.986
181 H HIS 23 HN HIS 23 -3.131 2.876 8.168
182 HA HIS 23 HA HIS 23 -4.913 5.094 8.823
183 HB2 HIS 23 HB2 HIS 23 -5.573 4.796 6.705
184 HB3 HIS 23 HB1 HIS 23 -4.511 3.395 6.564
185 HD1 HIS 23 HD1 HIS 23 -5.560 1.046 7.266
186 HD2 HIS 23 HD2 HIS 23 -8.296 4.175 6.944
187 HE1 HIS 23 HE1 HIS 23 -7.856 -0.017 7.186
188 HE2 HIS 23 HE2 HIS 23 -9.536 1.878 6.989
189 H GLY 24 HN GLY 24 -4.272 2.029 10.011
190 HA2 GLY 24 HA2 GLY 24 -7.043 1.510 10.841
191 HA3 GLY 24 HA1 GLY 24 -5.690 0.393 10.992
192 H HIS 25 HN HIS 25 -4.422 3.224 11.935
193 HA HIS 25 HA HIS 25 -4.029 2.622 14.585
194 HB2 HIS 25 HB2 HIS 25 -3.339 4.715 12.952
195 HB3 HIS 25 HB1 HIS 25 -4.408 5.498 14.116
196 HD1 HIS 25 HD1 HIS 25 -3.596 3.458 16.480
197 HD2 HIS 25 HD2 HIS 25 -0.985 5.754 14.181
198 HE1 HIS 25 HE1 HIS 25 -1.478 3.715 17.844
199 HE2 HIS 25 HE2 HIS 25 0.125 5.112 16.456
200 HN1 NH2 26 H1 HIS 25 -6.498 5.045 13.533
201 HN2 NH2 26 H2 HIS 25 -7.543 4.744 14.836
Start of MODEL 6
1 H1 SER 1 HN SER 1 -0.450 11.455 0.756
2 HA SER 1 HA SER 1 -0.775 9.677 -0.676
3 HB2 SER 1 HB2 SER 1 1.499 11.104 -2.057
4 HB3 SER 1 HB1 SER 1 0.703 9.691 -2.744
5 HG SER 1 HG SER 1 -0.099 12.247 -2.722
6 H CYS 2 HN CYS 2 -0.369 7.674 -0.017
7 HA CYS 2 HA CYS 2 2.436 6.770 0.138
8 HB2 CYS 2 HB2 CYS 2 1.922 7.118 2.418
9 HB3 CYS 2 HB1 CYS 2 0.287 6.481 2.233
10 H LYS 3 HN LYS 3 -0.984 5.954 -0.179
11 HA LYS 3 HA LYS 3 -0.599 3.187 -0.728
12 HB2 LYS 3 HB2 LYS 3 -2.768 4.630 -0.136
13 HB3 LYS 3 HB1 LYS 3 -2.925 4.634 -1.893
14 HG2 LYS 3 HG2 LYS 3 -2.611 2.120 -1.826
15 HG3 LYS 3 HG1 LYS 3 -2.753 2.223 -0.071
16 HD2 LYS 3 HD2 LYS 3 -4.986 2.124 -0.323
17 HD3 LYS 3 HD1 LYS 3 -4.912 3.720 -1.069
18 HE2 LYS 3 HE2 LYS 3 -4.687 1.055 -2.498
19 HE3 LYS 3 HE1 LYS 3 -6.040 2.184 -2.592
20 HZ1 LYS 3 HZ1 LYS 3 -3.728 2.153 -4.141
21 HZ2 LYS 3 HZ2 LYS 3 -4.994 3.286 -4.180
22 HZ3 LYS 3 HZ3 LYS 3 -3.654 3.549 -3.175
23 H LYS 4 HN LYS 4 -1.671 5.756 -2.968
24 HA LYS 4 HA LYS 4 -1.093 4.277 -5.307
25 HB2 LYS 4 HB2 LYS 4 -1.368 6.431 -6.480
26 HB3 LYS 4 HB1 LYS 4 -2.656 6.166 -5.305
27 HG2 LYS 4 HG2 LYS 4 -1.279 7.514 -3.652
28 HG3 LYS 4 HG1 LYS 4 -0.226 7.943 -5.000
29 HD2 LYS 4 HD2 LYS 4 -1.676 9.698 -5.213
30 HD3 LYS 4 HD1 LYS 4 -2.640 8.511 -6.094
31 HE2 LYS 4 HE2 LYS 4 -4.107 9.505 -4.477
32 HE3 LYS 4 HE1 LYS 4 -3.706 7.898 -3.867
33 HZ1 LYS 4 HZ1 LYS 4 -2.295 8.753 -2.280
34 HZ2 LYS 4 HZ2 LYS 4 -2.070 10.224 -3.101
35 HZ3 LYS 4 HZ3 LYS 4 -3.533 9.917 -2.300
36 H GLU 5 HN GLU 5 0.833 6.398 -3.299
37 HA GLU 5 HA GLU 5 2.934 6.921 -5.106
38 HB2 GLU 5 HB2 GLU 5 2.437 7.224 -2.249
39 HB3 GLU 5 HB1 GLU 5 4.117 6.810 -2.595
40 HG2 GLU 5 HG2 GLU 5 2.608 9.019 -4.017
41 HG3 GLU 5 HG1 GLU 5 3.640 9.289 -2.614
42 H CYS 6 HN CYS 6 2.633 4.422 -2.579
43 HA CYS 6 HA CYS 6 5.074 3.119 -3.195
44 HB2 CYS 6 HB2 CYS 6 2.589 2.313 -1.705
45 HB3 CYS 6 HB1 CYS 6 3.898 1.162 -1.978
46 H SER 7 HN SER 7 1.715 2.492 -4.166
47 HA SER 7 HA SER 7 1.947 0.135 -5.540
48 HB2 SER 7 HB2 SER 7 0.064 2.204 -5.415
49 HB3 SER 7 HB1 SER 7 0.432 2.027 -7.129
50 HG SER 7 HG SER 7 -0.638 0.228 -7.094
51 H GLY 8 HN GLY 8 3.452 -0.491 -6.950
52 HA2 GLY 8 HA2 GLY 8 4.705 1.479 -8.726
53 HA3 GLY 8 HA1 GLY 8 5.266 -0.166 -8.436
54 H SER 9 HN SER 9 4.670 -1.761 -9.809
55 HA SER 9 HA SER 9 2.564 -1.166 -11.797
56 HB2 SER 9 HB2 SER 9 3.896 -2.079 -13.558
57 HB3 SER 9 HB1 SER 9 4.910 -0.912 -12.714
58 HG SER 9 HG SER 9 6.137 -2.712 -12.868
59 H ARG 10 HN ARG 10 4.698 -3.876 -10.864
60 HA ARG 10 HA ARG 10 2.334 -5.644 -10.915
61 HB2 ARG 10 HB2 ARG 10 5.261 -6.405 -10.984
62 HB3 ARG 10 HB1 ARG 10 3.885 -7.476 -11.244
63 HG2 ARG 10 HG2 ARG 10 4.573 -5.078 -12.971
64 HG3 ARG 10 HG1 ARG 10 4.921 -6.756 -13.390
65 HD2 ARG 10 HD2 ARG 10 2.895 -6.559 -14.458
66 HD3 ARG 10 HD1 ARG 10 2.297 -7.007 -12.864
67 HE ARG 10 HE ARG 10 1.499 -4.832 -12.599
68 HH11 ARG 10 HH11 ARG 10 3.617 -5.095 -15.320
69 HH12 ARG 10 HH12 ARG 10 3.246 -3.520 -15.936
70 HH21 ARG 10 HH21 ARG 10 1.005 -2.766 -13.399
71 HH22 ARG 10 HH22 ARG 10 1.767 -2.200 -14.848
72 H ARG 11 HN ARG 11 3.426 -3.813 -8.704
73 HA ARG 11 HA ARG 11 3.051 -5.743 -6.562
74 HB2 ARG 11 HB2 ARG 11 5.591 -5.515 -7.226
75 HB3 ARG 11 HB1 ARG 11 5.475 -4.001 -6.332
76 HG2 ARG 11 HG2 ARG 11 6.149 -5.658 -4.739
77 HG3 ARG 11 HG1 ARG 11 4.447 -5.325 -4.427
78 HD2 ARG 11 HD2 ARG 11 3.912 -7.475 -4.803
79 HD3 ARG 11 HD1 ARG 11 4.655 -7.424 -6.397
80 HE ARG 11 HE ARG 11 5.847 -8.455 -3.962
81 HH11 ARG 11 HH11 ARG 11 6.320 -7.213 -7.161
82 HH12 ARG 11 HH12 ARG 11 7.859 -7.976 -7.378
83 HH21 ARG 11 HH21 ARG 11 7.863 -9.459 -4.244
84 HH22 ARG 11 HH22 ARG 11 8.733 -9.247 -5.727
85 H THR 12 HN THR 12 2.671 -4.732 -4.500
86 HA THR 12 HA THR 12 2.585 -1.890 -4.218
87 HB THR 12 HB THR 12 -0.023 -3.345 -4.706
88 HG1 THR 12 HG1 THR 12 1.578 -1.557 -6.078
89 HG21 THR 12 HG21 THR 12 0.606 -0.677 -3.454
90 HG22 THR 12 HG22 THR 12 -0.929 -0.959 -4.276
91 HG23 THR 12 HG23 THR 12 -0.486 -1.935 -2.874
92 H LYS 13 HN LYS 13 1.814 -5.101 -3.147
93 HA LYS 13 HA LYS 13 0.993 -4.348 -0.489
94 HB2 LYS 13 HB2 LYS 13 2.013 -7.046 -1.363
95 HB3 LYS 13 HB1 LYS 13 0.912 -6.679 -0.035
96 HG2 LYS 13 HG2 LYS 13 -0.356 -5.555 -2.232
97 HG3 LYS 13 HG1 LYS 13 0.328 -7.045 -2.883
98 HD2 LYS 13 HD2 LYS 13 -1.398 -6.840 -0.395
99 HD3 LYS 13 HD1 LYS 13 -1.934 -7.434 -1.967
100 HE2 LYS 13 HE2 LYS 13 -1.353 -9.469 -1.117
101 HE3 LYS 13 HE1 LYS 13 0.277 -8.980 -1.578
102 HZ1 LYS 13 HZ1 LYS 13 -0.788 -9.412 1.008
103 HZ2 LYS 13 HZ2 LYS 13 0.822 -9.126 0.547
104 HZ3 LYS 13 HZ3 LYS 13 -0.209 -7.820 0.878
105 H LYS 14 HN LYS 14 3.851 -3.978 -1.937
106 HA LYS 14 HA LYS 14 5.665 -5.122 -0.032
107 HB2 LYS 14 HB2 LYS 14 7.380 -4.001 -1.232
108 HB3 LYS 14 HB1 LYS 14 6.191 -4.485 -2.441
109 HG2 LYS 14 HG2 LYS 14 5.149 -2.156 -2.094
110 HG3 LYS 14 HG1 LYS 14 6.655 -1.741 -1.275
111 HD2 LYS 14 HD2 LYS 14 7.842 -2.649 -3.373
112 HD3 LYS 14 HD1 LYS 14 6.262 -2.569 -4.151
113 HE2 LYS 14 HE2 LYS 14 7.957 -0.324 -3.086
114 HE3 LYS 14 HE1 LYS 14 7.168 -0.468 -4.656
115 HZ1 LYS 14 HZ1 LYS 14 5.633 -0.298 -2.133
116 HZ2 LYS 14 HZ2 LYS 14 6.111 1.088 -2.992
117 HZ3 LYS 14 HZ3 LYS 14 5.081 -0.047 -3.720
118 H CYS 15 HN CYS 15 4.010 -2.057 -0.375
119 HA CYS 15 HA CYS 15 5.072 -1.247 2.261
120 HB2 CYS 15 HB2 CYS 15 6.176 0.421 1.231
121 HB3 CYS 15 HB1 CYS 15 5.348 0.128 -0.298
122 H MET 16 HN MET 16 2.451 -1.395 -0.007
123 HA MET 16 HA MET 16 0.633 0.366 1.206
124 HB2 MET 16 HB2 MET 16 0.283 -0.644 -1.021
125 HB3 MET 16 HB1 MET 16 0.042 -2.216 -0.260
126 HG2 MET 16 HG2 MET 16 -2.002 -1.615 0.661
127 HG3 MET 16 HG1 MET 16 -1.614 0.104 0.669
128 HE1 MET 16 HE1 MET 16 -4.426 -0.746 -0.256
129 HE2 MET 16 HE2 MET 16 -4.603 -1.401 -1.881
130 HE3 MET 16 HE3 MET 16 -3.792 -2.348 -0.627
131 H GLN 17 HN GLN 17 1.565 -2.924 1.987
132 HA GLN 17 HA GLN 17 -0.526 -3.691 3.658
133 HB2 GLN 17 HB2 GLN 17 1.765 -4.867 2.902
134 HB3 GLN 17 HB1 GLN 17 2.235 -4.368 4.527
135 HG2 GLN 17 HG2 GLN 17 1.287 -6.508 4.846
136 HG3 GLN 17 HG1 GLN 17 -0.011 -5.398 5.284
137 HE21 GLN 17 HE21 GLN 17 -1.759 -5.068 3.661
138 HE22 GLN 17 HE22 GLN 17 -2.038 -6.244 2.470
139 H LYS 18 HN LYS 18 2.550 -2.159 4.641
140 HA LYS 18 HA LYS 18 1.828 -1.737 7.329
141 HB2 LYS 18 HB2 LYS 18 3.746 -0.154 5.601
142 HB3 LYS 18 HB1 LYS 18 3.680 -0.112 7.363
143 HG2 LYS 18 HG2 LYS 18 5.143 -1.830 7.343
144 HG3 LYS 18 HG1 LYS 18 3.817 -2.833 6.757
145 HD2 LYS 18 HD2 LYS 18 4.409 -2.184 4.420
146 HD3 LYS 18 HD1 LYS 18 5.799 -1.300 5.051
147 HE2 LYS 18 HE2 LYS 18 5.332 -4.237 5.613
148 HE3 LYS 18 HE1 LYS 18 6.289 -3.665 4.247
149 HZ1 LYS 18 HZ1 LYS 18 7.691 -2.446 5.821
150 HZ2 LYS 18 HZ2 LYS 18 6.800 -3.093 7.115
151 HZ3 LYS 18 HZ3 LYS 18 7.711 -4.118 6.118
152 H CYS 19 HN CYS 19 1.414 0.260 4.443
153 HA CYS 19 HA CYS 19 0.372 2.526 5.869
154 HB2 CYS 19 HB2 CYS 19 1.218 1.979 3.231
155 HB3 CYS 19 HB1 CYS 19 -0.475 2.459 3.120
156 H ASN 20 HN ASN 20 -0.915 -0.452 4.752
157 HA ASN 20 HA ASN 20 -3.653 0.428 4.527
158 HB2 ASN 20 HB2 ASN 20 -2.921 -1.490 3.234
159 HB3 ASN 20 HB1 ASN 20 -2.437 -2.337 4.702
160 HD21 ASN 20 HD21 ASN 20 -5.413 -0.608 3.580
161 HD22 ASN 20 HD22 ASN 20 -6.477 -1.825 4.095
162 H ARG 21 HN ARG 21 -1.605 -0.943 7.016
163 HA ARG 21 HA ARG 21 -3.832 -1.393 8.833
164 HB2 ARG 21 HB2 ARG 21 -0.919 -1.956 8.821
165 HB3 ARG 21 HB1 ARG 21 -1.669 -1.708 10.399
166 HG2 ARG 21 HG2 ARG 21 -3.287 -3.455 9.979
167 HG3 ARG 21 HG1 ARG 21 -2.752 -3.613 8.306
168 HD2 ARG 21 HD2 ARG 21 -1.034 -4.164 10.741
169 HD3 ARG 21 HD1 ARG 21 -1.807 -5.396 9.748
170 HE ARG 21 HE ARG 21 -0.267 -3.772 8.054
171 HH11 ARG 21 HH11 ARG 21 0.105 -5.976 10.696
172 HH12 ARG 21 HH12 ARG 21 1.676 -6.515 10.205
173 HH21 ARG 21 HH21 ARG 21 1.793 -4.474 7.404
174 HH22 ARG 21 HH22 ARG 21 2.632 -5.665 8.341
175 H GLU 22 HN GLU 22 -1.220 0.928 8.361
176 HA GLU 22 HA GLU 22 -1.787 2.370 10.797
177 HB2 GLU 22 HB2 GLU 22 0.089 2.679 8.496
178 HB3 GLU 22 HB1 GLU 22 -0.270 4.103 9.474
179 HG2 GLU 22 HG2 GLU 22 0.439 2.967 11.494
180 HG3 GLU 22 HG1 GLU 22 0.633 1.448 10.621
181 H HIS 23 HN HIS 23 -3.604 2.022 8.176
182 HA HIS 23 HA HIS 23 -4.199 4.612 7.256
183 HB2 HIS 23 HB2 HIS 23 -5.086 2.066 6.683
184 HB3 HIS 23 HB1 HIS 23 -6.507 2.815 7.412
185 HD1 HIS 23 HD1 HIS 23 -6.407 5.642 6.437
186 HD2 HIS 23 HD2 HIS 23 -5.409 2.438 3.965
187 HE1 HIS 23 HE1 HIS 23 -6.684 6.461 4.057
188 HE2 HIS 23 HE2 HIS 23 -6.079 4.519 2.537
189 H GLY 24 HN GLY 24 -4.938 3.026 10.226
190 HA2 GLY 24 HA2 GLY 24 -7.047 4.965 10.890
191 HA3 GLY 24 HA1 GLY 24 -6.647 3.516 11.808
192 H HIS 25 HN HIS 25 -4.027 5.463 10.709
193 HA HIS 25 HA HIS 25 -2.962 5.873 13.274
194 HB2 HIS 25 HB2 HIS 25 -1.344 6.096 11.653
195 HB3 HIS 25 HB1 HIS 25 -2.414 6.966 10.553
196 HD1 HIS 25 HD1 HIS 25 -1.683 7.866 14.171
197 HD2 HIS 25 HD2 HIS 25 -1.030 9.381 10.341
198 HE1 HIS 25 HE1 HIS 25 -0.700 10.181 14.473
199 HE2 HIS 25 HE2 HIS 25 -0.296 11.117 12.148
200 HN1 NH2 26 H1 HIS 25 -4.364 8.445 11.153
201 HN2 NH2 26 H2 HIS 25 -4.910 9.401 12.446
Start of MODEL 7
1 H1 SER 1 HN SER 1 0.570 10.348 -2.611
2 HA SER 1 HA SER 1 1.421 11.095 0.121
3 HB2 SER 1 HB2 SER 1 -1.049 9.496 -0.582
4 HB3 SER 1 HB1 SER 1 -0.485 9.871 1.044
5 HG SER 1 HG SER 1 -1.571 11.649 0.824
6 H CYS 2 HN CYS 2 -0.049 8.123 0.101
7 HA CYS 2 HA CYS 2 2.186 6.552 -0.864
8 HB2 CYS 2 HB2 CYS 2 2.959 5.699 1.173
9 HB3 CYS 2 HB1 CYS 2 2.729 7.410 1.532
10 H LYS 3 HN LYS 3 -1.028 7.002 -0.187
11 HA LYS 3 HA LYS 3 -1.817 4.285 0.323
12 HB2 LYS 3 HB2 LYS 3 -3.158 6.329 0.957
13 HB3 LYS 3 HB1 LYS 3 -3.529 6.532 -0.756
14 HG2 LYS 3 HG2 LYS 3 -5.250 5.109 -0.451
15 HG3 LYS 3 HG1 LYS 3 -4.052 3.830 -0.239
16 HD2 LYS 3 HD2 LYS 3 -3.957 4.316 2.179
17 HD3 LYS 3 HD1 LYS 3 -5.157 5.590 1.970
18 HE2 LYS 3 HE2 LYS 3 -6.713 3.996 2.351
19 HE3 LYS 3 HE1 LYS 3 -6.332 3.396 0.736
20 HZ1 LYS 3 HZ1 LYS 3 -6.084 1.955 2.976
21 HZ2 LYS 3 HZ2 LYS 3 -5.199 1.663 1.555
22 HZ3 LYS 3 HZ3 LYS 3 -4.505 2.560 2.817
23 H LYS 4 HN LYS 4 -0.735 3.137 -1.359
24 HA LYS 4 HA LYS 4 -0.794 1.971 -3.347
25 HB2 LYS 4 HB2 LYS 4 -3.388 2.578 -2.990
26 HB3 LYS 4 HB1 LYS 4 -3.073 3.525 -4.445
27 HG2 LYS 4 HG2 LYS 4 -2.054 1.454 -5.471
28 HG3 LYS 4 HG1 LYS 4 -2.626 0.552 -4.068
29 HD2 LYS 4 HD2 LYS 4 -4.917 1.023 -4.580
30 HD3 LYS 4 HD1 LYS 4 -4.468 2.226 -5.791
31 HE2 LYS 4 HE2 LYS 4 -3.909 0.638 -7.364
32 HE3 LYS 4 HE1 LYS 4 -3.422 -0.546 -6.151
33 HZ1 LYS 4 HZ1 LYS 4 -5.573 -1.202 -5.791
34 HZ2 LYS 4 HZ2 LYS 4 -6.241 0.263 -6.331
35 HZ3 LYS 4 HZ3 LYS 4 -5.629 -0.851 -7.452
36 H GLU 5 HN GLU 5 -0.470 5.286 -3.020
37 HA GLU 5 HA GLU 5 -0.060 6.010 -5.765
38 HB2 GLU 5 HB2 GLU 5 0.553 7.320 -3.125
39 HB3 GLU 5 HB1 GLU 5 1.127 8.013 -4.641
40 HG2 GLU 5 HG2 GLU 5 -0.965 8.634 -5.307
41 HG3 GLU 5 HG1 GLU 5 -1.723 7.205 -4.605
42 H CYS 6 HN CYS 6 1.612 3.930 -3.909
43 HA CYS 6 HA CYS 6 4.232 4.682 -5.065
44 HB2 CYS 6 HB2 CYS 6 5.308 3.772 -3.216
45 HB3 CYS 6 HB1 CYS 6 3.871 4.483 -2.481
46 H SER 7 HN SER 7 1.693 2.768 -5.680
47 HA SER 7 HA SER 7 2.531 0.159 -5.940
48 HB2 SER 7 HB2 SER 7 0.768 1.855 -7.700
49 HB3 SER 7 HB1 SER 7 1.058 0.152 -8.046
50 HG SER 7 HG SER 7 -0.540 -0.085 -6.680
51 H GLY 8 HN GLY 8 3.836 -0.984 -7.290
52 HA2 GLY 8 HA2 GLY 8 5.596 0.576 -9.047
53 HA3 GLY 8 HA1 GLY 8 5.907 -1.050 -8.448
54 H SER 9 HN SER 9 5.849 -2.520 -10.006
55 HA SER 9 HA SER 9 4.077 -2.081 -12.326
56 HB2 SER 9 HB2 SER 9 5.542 -3.766 -13.451
57 HB3 SER 9 HB1 SER 9 6.396 -2.308 -12.955
58 HG SER 9 HG SER 9 7.196 -3.411 -11.189
59 H ARG 10 HN ARG 10 5.367 -4.816 -10.424
60 HA ARG 10 HA ARG 10 2.728 -6.131 -10.709
61 HB2 ARG 10 HB2 ARG 10 4.166 -8.269 -10.361
62 HB3 ARG 10 HB1 ARG 10 4.164 -7.496 -11.948
63 HG2 ARG 10 HG2 ARG 10 6.258 -6.379 -11.479
64 HG3 ARG 10 HG1 ARG 10 6.232 -6.937 -9.805
65 HD2 ARG 10 HD2 ARG 10 6.128 -8.934 -12.047
66 HD3 ARG 10 HD1 ARG 10 7.672 -8.237 -11.567
67 HE ARG 10 HE ARG 10 6.618 -9.057 -9.201
68 HH11 ARG 10 HH11 ARG 10 7.058 -10.542 -12.295
69 HH12 ARG 10 HH12 ARG 10 7.258 -12.139 -11.655
70 HH21 ARG 10 HH21 ARG 10 6.879 -11.149 -8.353
71 HH22 ARG 10 HH22 ARG 10 7.155 -12.483 -9.422
72 H ARG 11 HN ARG 11 4.265 -4.399 -8.578
73 HA ARG 11 HA ARG 11 3.408 -6.077 -6.309
74 HB2 ARG 11 HB2 ARG 11 5.993 -5.923 -6.739
75 HB3 ARG 11 HB1 ARG 11 5.821 -4.317 -6.032
76 HG2 ARG 11 HG2 ARG 11 4.634 -5.394 -4.081
77 HG3 ARG 11 HG1 ARG 11 5.063 -6.963 -4.765
78 HD2 ARG 11 HD2 ARG 11 7.013 -4.790 -3.951
79 HD3 ARG 11 HD1 ARG 11 6.710 -6.285 -3.071
80 HE ARG 11 HE ARG 11 8.241 -5.996 -5.532
81 HH11 ARG 11 HH11 ARG 11 6.569 -8.066 -3.318
82 HH12 ARG 11 HH12 ARG 11 7.411 -9.499 -3.807
83 HH21 ARG 11 HH21 ARG 11 9.347 -7.873 -6.179
84 HH22 ARG 11 HH22 ARG 11 8.983 -9.389 -5.426
85 H THR 12 HN THR 12 2.742 -4.896 -4.449
86 HA THR 12 HA THR 12 2.531 -1.997 -4.638
87 HB THR 12 HB THR 12 0.126 -3.823 -4.712
88 HG1 THR 12 HG1 THR 12 1.286 -1.867 -6.350
89 HG21 THR 12 HG21 THR 12 -0.984 -1.401 -4.617
90 HG22 THR 12 HG22 THR 12 -0.634 -2.310 -3.146
91 HG23 THR 12 HG23 THR 12 0.469 -1.044 -3.685
92 H LYS 13 HN LYS 13 2.087 -5.000 -2.912
93 HA LYS 13 HA LYS 13 1.258 -3.942 -0.419
94 HB2 LYS 13 HB2 LYS 13 2.801 -6.461 -1.060
95 HB3 LYS 13 HB1 LYS 13 2.071 -6.096 0.504
96 HG2 LYS 13 HG2 LYS 13 -0.138 -5.796 -0.756
97 HG3 LYS 13 HG1 LYS 13 0.668 -6.538 -2.139
98 HD2 LYS 13 HD2 LYS 13 1.317 -8.419 -0.455
99 HD3 LYS 13 HD1 LYS 13 0.018 -7.755 0.538
100 HE2 LYS 13 HE2 LYS 13 -0.234 -8.766 -2.310
101 HE3 LYS 13 HE1 LYS 13 -0.878 -9.542 -0.863
102 HZ1 LYS 13 HZ1 LYS 13 -1.918 -7.102 -0.632
103 HZ2 LYS 13 HZ2 LYS 13 -1.863 -7.239 -2.325
104 HZ3 LYS 13 HZ3 LYS 13 -2.710 -8.389 -1.410
105 H LYS 14 HN LYS 14 3.924 -3.125 -2.022
106 HA LYS 14 HA LYS 14 6.045 -3.425 -0.187
107 HB2 LYS 14 HB2 LYS 14 6.204 -2.730 -2.628
108 HB3 LYS 14 HB1 LYS 14 5.713 -1.117 -2.106
109 HG2 LYS 14 HG2 LYS 14 7.941 -0.779 -1.796
110 HG3 LYS 14 HG1 LYS 14 7.694 -1.683 -0.302
111 HD2 LYS 14 HD2 LYS 14 8.219 -3.789 -1.524
112 HD3 LYS 14 HD1 LYS 14 8.558 -2.837 -2.969
113 HE2 LYS 14 HE2 LYS 14 10.661 -2.531 -2.233
114 HE3 LYS 14 HE1 LYS 14 10.018 -1.640 -0.854
115 HZ1 LYS 14 HZ1 LYS 14 11.435 -3.667 -0.366
116 HZ2 LYS 14 HZ2 LYS 14 9.945 -3.562 0.444
117 HZ3 LYS 14 HZ3 LYS 14 10.112 -4.595 -0.891
118 H CYS 15 HN CYS 15 4.029 -0.546 -0.852
119 HA CYS 15 HA CYS 15 4.614 0.383 1.899
120 HB2 CYS 15 HB2 CYS 15 3.642 2.512 0.276
121 HB3 CYS 15 HB1 CYS 15 5.241 2.332 1.000
122 H MET 16 HN MET 16 2.206 -0.634 -0.295
123 HA MET 16 HA MET 16 -0.031 0.820 0.613
124 HB2 MET 16 HB2 MET 16 0.108 -0.687 -1.423
125 HB3 MET 16 HB1 MET 16 -0.077 -2.050 -0.322
126 HG2 MET 16 HG2 MET 16 -2.088 -0.287 0.458
127 HG3 MET 16 HG1 MET 16 -2.090 -0.186 -1.303
128 HE1 MET 16 HE1 MET 16 -4.598 -1.703 -1.745
129 HE2 MET 16 HE2 MET 16 -5.010 -2.417 -0.188
130 HE3 MET 16 HE3 MET 16 -4.380 -0.766 -0.270
131 H GLN 17 HN GLN 17 1.247 -2.346 1.633
132 HA GLN 17 HA GLN 17 -0.649 -2.965 3.576
133 HB2 GLN 17 HB2 GLN 17 1.701 -4.099 2.692
134 HB3 GLN 17 HB1 GLN 17 2.092 -3.650 4.352
135 HG2 GLN 17 HG2 GLN 17 1.158 -5.848 4.466
136 HG3 GLN 17 HG1 GLN 17 -0.099 -4.751 5.036
137 HE21 GLN 17 HE21 GLN 17 -0.263 -3.936 1.964
138 HE22 GLN 17 HE22 GLN 17 -1.292 -5.133 1.338
139 H LYS 18 HN LYS 18 2.453 -1.257 4.020
140 HA LYS 18 HA LYS 18 2.131 -0.698 6.756
141 HB2 LYS 18 HB2 LYS 18 3.637 0.850 4.633
142 HB3 LYS 18 HB1 LYS 18 3.819 1.080 6.371
143 HG2 LYS 18 HG2 LYS 18 5.382 -0.543 6.333
144 HG3 LYS 18 HG1 LYS 18 4.085 -1.687 5.986
145 HD2 LYS 18 HD2 LYS 18 4.359 -1.255 3.565
146 HD3 LYS 18 HD1 LYS 18 5.680 -0.141 3.922
147 HE2 LYS 18 HE2 LYS 18 6.077 -2.685 5.265
148 HE3 LYS 18 HE1 LYS 18 5.894 -2.910 3.526
149 HZ1 LYS 18 HZ1 LYS 18 7.498 -0.833 3.512
150 HZ2 LYS 18 HZ2 LYS 18 7.963 -1.486 5.010
151 HZ3 LYS 18 HZ3 LYS 18 8.091 -2.423 3.603
152 H CYS 19 HN CYS 19 1.197 1.158 3.880
153 HA CYS 19 HA CYS 19 0.151 3.364 5.400
154 HB2 CYS 19 HB2 CYS 19 -0.101 2.560 2.495
155 HB3 CYS 19 HB1 CYS 19 -0.832 4.020 3.162
156 H ASN 20 HN ASN 20 -0.967 0.260 4.613
157 HA ASN 20 HA ASN 20 -3.799 0.977 4.728
158 HB2 ASN 20 HB2 ASN 20 -3.076 -0.754 3.140
159 HB3 ASN 20 HB1 ASN 20 -2.462 -1.726 4.476
160 HD21 ASN 20 HD21 ASN 20 -4.083 -2.602 6.023
161 HD22 ASN 20 HD22 ASN 20 -5.702 -2.778 5.542
162 H ARG 21 HN ARG 21 -1.314 -0.511 6.708
163 HA ARG 21 HA ARG 21 -3.180 -1.327 8.770
164 HB2 ARG 21 HB2 ARG 21 -0.418 -1.831 8.103
165 HB3 ARG 21 HB1 ARG 21 -0.557 -1.353 9.795
166 HG2 ARG 21 HG2 ARG 21 -2.308 -3.468 8.513
167 HG3 ARG 21 HG1 ARG 21 -0.819 -3.836 9.383
168 HD2 ARG 21 HD2 ARG 21 -2.448 -2.050 10.960
169 HD3 ARG 21 HD1 ARG 21 -3.396 -3.456 10.484
170 HE ARG 21 HE ARG 21 -0.847 -4.288 11.412
171 HH11 ARG 21 HH11 ARG 21 -3.859 -2.952 12.465
172 HH12 ARG 21 HH12 ARG 21 -3.768 -3.638 14.052
173 HH21 ARG 21 HH21 ARG 21 -0.718 -5.192 13.492
174 HH22 ARG 21 HH22 ARG 21 -1.989 -4.907 14.634
175 H GLU 22 HN GLU 22 -0.586 1.095 8.459
176 HA GLU 22 HA GLU 22 -0.892 2.263 10.995
177 HB2 GLU 22 HB2 GLU 22 0.051 3.481 8.390
178 HB3 GLU 22 HB1 GLU 22 0.225 4.242 9.972
179 HG2 GLU 22 HG2 GLU 22 1.174 1.455 9.862
180 HG3 GLU 22 HG1 GLU 22 2.082 2.569 8.843
181 H HIS 23 HN HIS 23 -3.004 2.250 8.361
182 HA HIS 23 HA HIS 23 -4.178 4.843 8.697
183 HB2 HIS 23 HB2 HIS 23 -4.873 4.167 6.662
184 HB3 HIS 23 HB1 HIS 23 -4.637 2.465 7.052
185 HD1 HIS 23 HD1 HIS 23 -6.667 1.133 7.826
186 HD2 HIS 23 HD2 HIS 23 -7.458 5.212 7.480
187 HE1 HIS 23 HE1 HIS 23 -9.172 1.402 8.091
188 HE2 HIS 23 HE2 HIS 23 -9.670 3.882 7.881
189 H GLY 24 HN GLY 24 -4.316 1.970 10.489
190 HA2 GLY 24 HA2 GLY 24 -7.010 2.389 11.514
191 HA3 GLY 24 HA1 GLY 24 -5.898 1.108 11.985
192 H HIS 25 HN HIS 25 -4.266 4.015 11.993
193 HA HIS 25 HA HIS 25 -3.546 4.106 14.609
194 HB2 HIS 25 HB2 HIS 25 -2.418 5.792 13.629
195 HB3 HIS 25 HB1 HIS 25 -3.693 6.066 12.442
196 HD1 HIS 25 HD1 HIS 25 -2.294 7.394 15.572
197 HD2 HIS 25 HD2 HIS 25 -5.892 7.727 13.491
198 HE1 HIS 25 HE1 HIS 25 -3.503 9.396 16.545
199 HE2 HIS 25 HE2 HIS 25 -5.697 9.613 15.287
200 HN1 NH2 26 H1 HIS 25 -6.561 5.548 13.297
201 HN2 NH2 26 H2 HIS 25 -7.274 5.800 14.815
Start of MODEL 8
1 H1 SER 1 HN SER 1 -3.509 8.927 -2.337
2 HA SER 1 HA SER 1 -1.261 9.685 -1.607
3 HB2 SER 1 HB2 SER 1 -3.553 9.454 0.114
4 HB3 SER 1 HB1 SER 1 -2.083 9.249 1.062
5 HG SER 1 HG SER 1 -3.080 11.461 -0.217
6 H CYS 2 HN CYS 2 -1.999 6.434 -1.320
7 HA CYS 2 HA CYS 2 0.696 5.827 -0.413
8 HB2 CYS 2 HB2 CYS 2 -1.688 5.460 1.286
9 HB3 CYS 2 HB1 CYS 2 -0.642 4.046 1.154
10 H LYS 3 HN LYS 3 -1.880 5.300 -2.383
11 HA LYS 3 HA LYS 3 -1.301 2.442 -2.800
12 HB2 LYS 3 HB2 LYS 3 -3.571 4.221 -3.699
13 HB3 LYS 3 HB1 LYS 3 -3.337 2.583 -4.312
14 HG2 LYS 3 HG2 LYS 3 -4.011 1.620 -2.361
15 HG3 LYS 3 HG1 LYS 3 -3.216 2.843 -1.369
16 HD2 LYS 3 HD2 LYS 3 -5.022 4.443 -1.890
17 HD3 LYS 3 HD1 LYS 3 -5.821 3.218 -2.877
18 HE2 LYS 3 HE2 LYS 3 -5.307 3.104 0.108
19 HE3 LYS 3 HE1 LYS 3 -6.872 3.211 -0.698
20 HZ1 LYS 3 HZ1 LYS 3 -6.305 1.057 -1.791
21 HZ2 LYS 3 HZ2 LYS 3 -4.967 0.942 -0.751
22 HZ3 LYS 3 HZ3 LYS 3 -6.537 0.960 -0.111
23 H LYS 4 HN LYS 4 -2.194 5.114 -4.986
24 HA LYS 4 HA LYS 4 -0.583 4.019 -7.108
25 HB2 LYS 4 HB2 LYS 4 -1.371 5.916 -8.408
26 HB3 LYS 4 HB1 LYS 4 -2.725 5.219 -7.518
27 HG2 LYS 4 HG2 LYS 4 -1.947 6.990 -5.678
28 HG3 LYS 4 HG1 LYS 4 -1.320 7.823 -7.102
29 HD2 LYS 4 HD2 LYS 4 -3.657 7.401 -8.133
30 HD3 LYS 4 HD1 LYS 4 -4.173 7.062 -6.479
31 HE2 LYS 4 HE2 LYS 4 -3.282 9.286 -5.784
32 HE3 LYS 4 HE1 LYS 4 -2.887 9.624 -7.469
33 HZ1 LYS 4 HZ1 LYS 4 -5.555 8.720 -7.257
34 HZ2 LYS 4 HZ2 LYS 4 -5.312 10.026 -6.197
35 HZ3 LYS 4 HZ3 LYS 4 -4.975 10.203 -7.850
36 H GLU 5 HN GLU 5 0.239 5.663 -4.393
37 HA GLU 5 HA GLU 5 2.353 7.255 -5.686
38 HB2 GLU 5 HB2 GLU 5 1.187 7.266 -2.901
39 HB3 GLU 5 HB1 GLU 5 2.667 8.133 -3.312
40 HG2 GLU 5 HG2 GLU 5 0.063 8.496 -4.811
41 HG3 GLU 5 HG1 GLU 5 0.551 9.518 -3.461
42 H CYS 6 HN CYS 6 1.862 4.238 -4.347
43 HA CYS 6 HA CYS 6 4.722 3.995 -3.626
44 HB2 CYS 6 HB2 CYS 6 2.300 3.146 -2.226
45 HB3 CYS 6 HB1 CYS 6 3.455 1.834 -2.453
46 H SER 7 HN SER 7 2.016 2.719 -5.411
47 HA SER 7 HA SER 7 2.675 0.189 -6.110
48 HB2 SER 7 HB2 SER 7 1.224 0.468 -7.825
49 HB3 SER 7 HB1 SER 7 0.975 2.071 -7.137
50 HG SER 7 HG SER 7 1.628 1.812 -9.479
51 H GLY 8 HN GLY 8 4.045 -0.850 -7.559
52 HA2 GLY 8 HA2 GLY 8 6.153 0.764 -8.835
53 HA3 GLY 8 HA1 GLY 8 6.615 -0.544 -7.749
54 H SER 9 HN SER 9 6.571 -2.631 -8.468
55 HA SER 9 HA SER 9 6.026 -2.996 -11.335
56 HB2 SER 9 HB2 SER 9 8.258 -3.649 -10.476
57 HB3 SER 9 HB1 SER 9 7.486 -4.803 -9.394
58 HG SER 9 HG SER 9 7.554 -4.777 -12.223
59 H ARG 10 HN ARG 10 3.769 -3.197 -11.272
60 HA ARG 10 HA ARG 10 1.741 -4.248 -10.988
61 HB2 ARG 10 HB2 ARG 10 3.758 -6.327 -11.499
62 HB3 ARG 10 HB1 ARG 10 2.288 -6.920 -10.725
63 HG2 ARG 10 HG2 ARG 10 0.919 -5.871 -12.472
64 HG3 ARG 10 HG1 ARG 10 2.370 -5.221 -13.236
65 HD2 ARG 10 HD2 ARG 10 1.591 -8.129 -12.940
66 HD3 ARG 10 HD1 ARG 10 1.789 -7.219 -14.435
67 HE ARG 10 HE ARG 10 3.889 -8.429 -12.869
68 HH11 ARG 10 HH11 ARG 10 3.030 -5.894 -15.063
69 HH12 ARG 10 HH12 ARG 10 4.634 -5.706 -15.690
70 HH21 ARG 10 HH21 ARG 10 5.994 -8.188 -13.687
71 HH22 ARG 10 HH22 ARG 10 6.311 -7.004 -14.911
72 H ARG 11 HN ARG 11 3.699 -3.757 -8.550
73 HA ARG 11 HA ARG 11 2.071 -5.295 -6.617
74 HB2 ARG 11 HB2 ARG 11 4.725 -5.597 -6.899
75 HB3 ARG 11 HB1 ARG 11 4.717 -4.229 -5.786
76 HG2 ARG 11 HG2 ARG 11 3.238 -5.480 -4.255
77 HG3 ARG 11 HG1 ARG 11 3.254 -6.852 -5.364
78 HD2 ARG 11 HD2 ARG 11 5.934 -5.869 -4.664
79 HD3 ARG 11 HD1 ARG 11 5.025 -6.485 -3.286
80 HE ARG 11 HE ARG 11 4.673 -8.421 -5.162
81 HH11 ARG 11 HH11 ARG 11 7.421 -6.736 -3.905
82 HH12 ARG 11 HH12 ARG 11 8.512 -8.062 -4.131
83 HH21 ARG 11 HH21 ARG 11 6.097 -10.165 -5.462
84 HH22 ARG 11 HH22 ARG 11 7.762 -10.003 -5.013
85 H THR 12 HN THR 12 1.924 -4.205 -4.451
86 HA THR 12 HA THR 12 2.293 -1.361 -4.302
87 HB THR 12 HB THR 12 -0.530 -2.422 -4.577
88 HG1 THR 12 HG1 THR 12 0.598 -2.129 -6.544
89 HG21 THR 12 HG21 THR 12 0.636 0.204 -3.700
90 HG22 THR 12 HG22 THR 12 -0.922 0.168 -4.526
91 HG23 THR 12 HG23 THR 12 -0.708 -0.702 -3.006
92 H LYS 13 HN LYS 13 1.030 -4.360 -3.053
93 HA LYS 13 HA LYS 13 0.344 -3.399 -0.451
94 HB2 LYS 13 HB2 LYS 13 1.043 -6.205 -1.354
95 HB3 LYS 13 HB1 LYS 13 0.248 -5.771 0.161
96 HG2 LYS 13 HG2 LYS 13 -1.351 -4.486 -1.635
97 HG3 LYS 13 HG1 LYS 13 -0.857 -5.891 -2.580
98 HD2 LYS 13 HD2 LYS 13 -2.132 -5.933 0.172
99 HD3 LYS 13 HD1 LYS 13 -2.887 -6.435 -1.341
100 HE2 LYS 13 HE2 LYS 13 -2.142 -8.509 -0.790
101 HE3 LYS 13 HE1 LYS 13 -0.577 -7.922 -1.350
102 HZ1 LYS 13 HZ1 LYS 13 -0.932 -7.020 1.261
103 HZ2 LYS 13 HZ2 LYS 13 -1.334 -8.671 1.248
104 HZ3 LYS 13 HZ3 LYS 13 0.188 -8.166 0.696
105 H LYS 14 HN LYS 14 3.256 -3.451 -1.915
106 HA LYS 14 HA LYS 14 4.924 -4.586 0.117
107 HB2 LYS 14 HB2 LYS 14 6.765 -3.573 -1.116
108 HB3 LYS 14 HB1 LYS 14 5.642 -4.331 -2.246
109 HG2 LYS 14 HG2 LYS 14 4.525 -2.037 -2.451
110 HG3 LYS 14 HG1 LYS 14 5.937 -1.389 -1.617
111 HD2 LYS 14 HD2 LYS 14 7.220 -2.831 -3.469
112 HD3 LYS 14 HD1 LYS 14 5.722 -2.553 -4.358
113 HE2 LYS 14 HE2 LYS 14 5.966 -0.095 -3.831
114 HE3 LYS 14 HE1 LYS 14 7.565 -0.456 -3.179
115 HZ1 LYS 14 HZ1 LYS 14 6.954 0.059 -5.796
116 HZ2 LYS 14 HZ2 LYS 14 8.410 -0.594 -5.212
117 HZ3 LYS 14 HZ3 LYS 14 7.176 -1.625 -5.749
118 H CYS 15 HN CYS 15 3.672 -1.371 -0.583
119 HA CYS 15 HA CYS 15 4.860 -0.431 1.960
120 HB2 CYS 15 HB2 CYS 15 5.902 1.134 0.729
121 HB3 CYS 15 HB1 CYS 15 4.993 0.696 -0.719
122 H MET 16 HN MET 16 2.085 -0.475 -0.184
123 HA MET 16 HA MET 16 0.435 1.375 1.123
124 HB2 MET 16 HB2 MET 16 -0.177 0.491 -1.045
125 HB3 MET 16 HB1 MET 16 -0.277 -1.146 -0.393
126 HG2 MET 16 HG2 MET 16 -1.933 1.008 0.870
127 HG3 MET 16 HG1 MET 16 -2.464 0.319 -0.664
128 HE1 MET 16 HE1 MET 16 -4.125 -1.899 -0.576
129 HE2 MET 16 HE2 MET 16 -2.481 -1.973 -1.206
130 HE3 MET 16 HE3 MET 16 -3.089 -3.264 -0.161
131 H GLN 17 HN GLN 17 1.294 -1.913 1.923
132 HA GLN 17 HA GLN 17 -0.809 -2.483 3.726
133 HB2 GLN 17 HB2 GLN 17 0.998 -4.056 2.712
134 HB3 GLN 17 HB1 GLN 17 1.979 -3.544 4.086
135 HG2 GLN 17 HG2 GLN 17 0.873 -5.465 4.887
136 HG3 GLN 17 HG1 GLN 17 -0.094 -4.135 5.524
137 HE21 GLN 17 HE21 GLN 17 -0.891 -3.878 2.414
138 HE22 GLN 17 HE22 GLN 17 -2.178 -4.979 2.310
139 H LYS 18 HN LYS 18 2.533 -1.396 4.368
140 HA LYS 18 HA LYS 18 2.231 -1.016 7.132
141 HB2 LYS 18 HB2 LYS 18 4.047 0.446 5.200
142 HB3 LYS 18 HB1 LYS 18 4.223 0.428 6.955
143 HG2 LYS 18 HG2 LYS 18 5.458 -1.442 6.728
144 HG3 LYS 18 HG1 LYS 18 3.983 -2.271 6.226
145 HD2 LYS 18 HD2 LYS 18 4.408 -1.661 3.888
146 HD3 LYS 18 HD1 LYS 18 5.857 -0.776 4.369
147 HE2 LYS 18 HE2 LYS 18 6.028 -3.392 5.492
148 HE3 LYS 18 HE1 LYS 18 5.602 -3.567 3.790
149 HZ1 LYS 18 HZ1 LYS 18 8.061 -3.375 4.417
150 HZ2 LYS 18 HZ2 LYS 18 7.494 -2.441 3.116
151 HZ3 LYS 18 HZ3 LYS 18 7.743 -1.720 4.632
152 H CYS 19 HN CYS 19 1.494 1.075 4.400
153 HA CYS 19 HA CYS 19 0.991 3.419 5.972
154 HB2 CYS 19 HB2 CYS 19 1.561 3.354 3.492
155 HB3 CYS 19 HB1 CYS 19 -0.102 2.836 3.218
156 H ASN 20 HN ASN 20 -0.893 0.671 4.916
157 HA ASN 20 HA ASN 20 -3.470 1.784 5.409
158 HB2 ASN 20 HB2 ASN 20 -2.900 -0.297 4.034
159 HB3 ASN 20 HB1 ASN 20 -2.769 -1.144 5.574
160 HD21 ASN 20 HD21 ASN 20 -4.689 -2.124 6.203
161 HD22 ASN 20 HD22 ASN 20 -6.243 -1.582 5.786
162 H ARG 21 HN ARG 21 -1.189 -0.086 7.364
163 HA ARG 21 HA ARG 21 -2.951 -0.337 9.614
164 HB2 ARG 21 HB2 ARG 21 -0.387 -1.323 8.848
165 HB3 ARG 21 HB1 ARG 21 -0.227 -0.545 10.424
166 HG2 ARG 21 HG2 ARG 21 -0.847 -2.886 10.740
167 HG3 ARG 21 HG1 ARG 21 -2.190 -1.855 11.231
168 HD2 ARG 21 HD2 ARG 21 -2.343 -2.470 8.402
169 HD3 ARG 21 HD1 ARG 21 -2.275 -3.947 9.360
170 HE ARG 21 HE ARG 21 -4.502 -2.208 9.155
171 HH11 ARG 21 HH11 ARG 21 -2.646 -4.020 11.446
172 HH12 ARG 21 HH12 ARG 21 -3.972 -4.265 12.534
173 HH21 ARG 21 HH21 ARG 21 -6.245 -2.525 10.577
174 HH22 ARG 21 HH22 ARG 21 -6.009 -3.419 12.042
175 H GLU 22 HN GLU 22 -0.251 1.807 8.770
176 HA GLU 22 HA GLU 22 0.159 3.203 11.078
177 HB2 GLU 22 HB2 GLU 22 0.227 3.941 8.197
178 HB3 GLU 22 HB1 GLU 22 0.265 5.261 9.366
179 HG2 GLU 22 HG2 GLU 22 2.202 4.305 10.470
180 HG3 GLU 22 HG1 GLU 22 2.113 2.862 9.461
181 H HIS 23 HN HIS 23 -2.566 3.524 8.858
182 HA HIS 23 HA HIS 23 -3.716 5.748 10.309
183 HB2 HIS 23 HB2 HIS 23 -5.116 4.020 8.270
184 HB3 HIS 23 HB1 HIS 23 -5.450 5.700 8.691
185 HD1 HIS 23 HD1 HIS 23 -4.544 4.477 5.804
186 HD2 HIS 23 HD2 HIS 23 -2.202 6.674 8.464
187 HE1 HIS 23 HE1 HIS 23 -2.676 5.504 4.434
188 HE2 HIS 23 HE2 HIS 23 -1.240 6.846 6.042
189 H GLY 24 HN GLY 24 -4.533 2.312 9.821
190 HA2 GLY 24 HA2 GLY 24 -6.670 2.402 11.763
191 HA3 GLY 24 HA1 GLY 24 -6.074 0.972 10.926
192 H HIS 25 HN HIS 25 -3.706 2.939 12.442
193 HA HIS 25 HA HIS 25 -2.597 0.962 14.019
194 HB2 HIS 25 HB2 HIS 25 -1.866 3.464 13.469
195 HB3 HIS 25 HB1 HIS 25 -2.536 3.748 15.076
196 HD1 HIS 25 HD1 HIS 25 0.352 2.226 13.315
197 HD2 HIS 25 HD2 HIS 25 -1.207 2.245 17.182
198 HE1 HIS 25 HE1 HIS 25 2.166 1.305 14.824
199 HE2 HIS 25 HE2 HIS 25 1.231 1.310 17.185
200 HN1 NH2 26 H1 HIS 25 -5.194 3.249 14.951
201 HN2 NH2 26 H2 HIS 25 -5.575 2.457 16.404
Start of MODEL 9
1 H1 SER 1 HN SER 1 -1.790 9.565 -3.892
2 HA SER 1 HA SER 1 -0.382 10.697 -2.434
3 HB2 SER 1 HB2 SER 1 -1.608 10.053 0.034
4 HB3 SER 1 HB1 SER 1 -1.866 11.486 -0.956
5 HG SER 1 HG SER 1 -3.427 10.264 -2.126
6 H CYS 2 HN CYS 2 -1.028 7.351 -1.672
7 HA CYS 2 HA CYS 2 1.722 7.033 -0.756
8 HB2 CYS 2 HB2 CYS 2 0.957 7.310 1.398
9 HB3 CYS 2 HB1 CYS 2 -0.670 6.751 1.005
10 H LYS 3 HN LYS 3 -1.416 5.345 -0.997
11 HA LYS 3 HA LYS 3 -0.427 2.766 -1.398
12 HB2 LYS 3 HB2 LYS 3 -2.951 4.052 -2.466
13 HB3 LYS 3 HB1 LYS 3 -2.620 2.319 -2.502
14 HG2 LYS 3 HG2 LYS 3 -2.478 2.246 -0.075
15 HG3 LYS 3 HG1 LYS 3 -2.650 3.999 0.021
16 HD2 LYS 3 HD2 LYS 3 -4.807 2.897 -1.546
17 HD3 LYS 3 HD1 LYS 3 -4.723 2.075 0.013
18 HE2 LYS 3 HE2 LYS 3 -4.686 4.281 1.154
19 HE3 LYS 3 HE1 LYS 3 -4.842 5.075 -0.414
20 HZ1 LYS 3 HZ1 LYS 3 -7.004 4.600 -0.523
21 HZ2 LYS 3 HZ2 LYS 3 -6.796 3.013 0.051
22 HZ3 LYS 3 HZ3 LYS 3 -6.903 4.305 1.147
23 H LYS 4 HN LYS 4 -2.067 4.373 -4.078
24 HA LYS 4 HA LYS 4 -0.463 3.038 -6.024
25 HB2 LYS 4 HB2 LYS 4 -2.558 5.192 -6.134
26 HB3 LYS 4 HB1 LYS 4 -1.642 4.754 -7.576
27 HG2 LYS 4 HG2 LYS 4 -2.507 2.586 -7.631
28 HG3 LYS 4 HG1 LYS 4 -2.910 2.596 -5.914
29 HD2 LYS 4 HD2 LYS 4 -4.719 4.196 -6.317
30 HD3 LYS 4 HD1 LYS 4 -4.291 4.279 -8.027
31 HE2 LYS 4 HE2 LYS 4 -4.897 1.611 -6.789
32 HE3 LYS 4 HE1 LYS 4 -6.227 2.675 -7.251
33 HZ1 LYS 4 HZ1 LYS 4 -4.575 2.783 -9.391
34 HZ2 LYS 4 HZ2 LYS 4 -4.433 1.161 -8.907
35 HZ3 LYS 4 HZ3 LYS 4 -5.959 1.805 -9.270
36 H GLU 5 HN GLU 5 0.221 5.623 -4.058
37 HA GLU 5 HA GLU 5 1.723 7.202 -5.976
38 HB2 GLU 5 HB2 GLU 5 0.528 7.864 -3.654
39 HB3 GLU 5 HB1 GLU 5 2.163 7.564 -3.064
40 HG2 GLU 5 HG2 GLU 5 2.223 9.838 -3.662
41 HG3 GLU 5 HG1 GLU 5 2.921 9.033 -5.067
42 H CYS 6 HN CYS 6 2.350 4.776 -3.503
43 HA CYS 6 HA CYS 6 5.241 4.966 -4.004
44 HB2 CYS 6 HB2 CYS 6 4.754 4.920 -1.677
45 HB3 CYS 6 HB1 CYS 6 3.603 3.598 -1.870
46 H SER 7 HN SER 7 2.468 2.903 -4.489
47 HA SER 7 HA SER 7 3.486 0.415 -4.924
48 HB2 SER 7 HB2 SER 7 1.100 1.119 -5.262
49 HB3 SER 7 HB1 SER 7 1.568 1.776 -6.827
50 HG SER 7 HG SER 7 2.171 -0.277 -7.473
51 H GLY 8 HN GLY 8 4.132 -0.716 -6.900
52 HA2 GLY 8 HA2 GLY 8 5.964 0.951 -8.504
53 HA3 GLY 8 HA1 GLY 8 6.137 -0.780 -8.230
54 H SER 9 HN SER 9 5.105 -2.218 -9.563
55 HA SER 9 HA SER 9 3.394 -1.087 -11.692
56 HB2 SER 9 HB2 SER 9 4.737 -3.339 -12.737
57 HB3 SER 9 HB1 SER 9 4.933 -1.654 -13.213
58 HG SER 9 HG SER 9 6.341 -1.603 -11.219
59 H ARG 10 HN ARG 10 4.513 -4.242 -10.441
60 HA ARG 10 HA ARG 10 1.737 -5.220 -10.687
61 HB2 ARG 10 HB2 ARG 10 4.367 -6.716 -10.615
62 HB3 ARG 10 HB1 ARG 10 2.787 -7.492 -10.623
63 HG2 ARG 10 HG2 ARG 10 3.546 -5.471 -12.735
64 HG3 ARG 10 HG1 ARG 10 3.980 -7.172 -12.902
65 HD2 ARG 10 HD2 ARG 10 1.892 -7.681 -13.560
66 HD3 ARG 10 HD1 ARG 10 1.221 -6.974 -12.097
67 HE ARG 10 HE ARG 10 1.966 -5.046 -14.134
68 HH11 ARG 10 HH11 ARG 10 -0.462 -7.122 -12.803
69 HH12 ARG 10 HH12 ARG 10 -1.788 -6.223 -13.463
70 HH21 ARG 10 HH21 ARG 10 0.232 -3.863 -15.003
71 HH22 ARG 10 HH22 ARG 10 -1.394 -4.379 -14.708
72 H ARG 11 HN ARG 11 4.090 -4.261 -8.457
73 HA ARG 11 HA ARG 11 2.854 -5.841 -6.295
74 HB2 ARG 11 HB2 ARG 11 5.352 -5.963 -6.599
75 HB3 ARG 11 HB1 ARG 11 5.425 -4.252 -6.188
76 HG2 ARG 11 HG2 ARG 11 5.837 -5.552 -4.173
77 HG3 ARG 11 HG1 ARG 11 4.262 -4.769 -4.031
78 HD2 ARG 11 HD2 ARG 11 3.125 -6.742 -4.118
79 HD3 ARG 11 HD1 ARG 11 4.226 -7.444 -5.297
80 HE ARG 11 HE ARG 11 4.357 -7.778 -2.466
81 HH11 ARG 11 HH11 ARG 11 6.254 -7.402 -5.336
82 HH12 ARG 11 HH12 ARG 11 7.617 -8.269 -4.714
83 HH21 ARG 11 HH21 ARG 11 6.141 -8.917 -1.644
84 HH22 ARG 11 HH22 ARG 11 7.554 -9.127 -2.623
85 H THR 12 HN THR 12 2.015 -4.837 -4.481
86 HA THR 12 HA THR 12 2.047 -1.916 -4.328
87 HB THR 12 HB THR 12 -0.483 -3.543 -4.642
88 HG1 THR 12 HG1 THR 12 0.902 -2.556 -6.440
89 HG21 THR 12 HG21 THR 12 -1.251 -0.922 -4.480
90 HG22 THR 12 HG22 THR 12 -1.323 -2.064 -3.139
91 HG23 THR 12 HG23 THR 12 0.055 -0.974 -3.297
92 H LYS 13 HN LYS 13 1.184 -5.036 -2.962
93 HA LYS 13 HA LYS 13 0.350 -4.203 -0.413
94 HB2 LYS 13 HB2 LYS 13 1.572 -6.728 -1.483
95 HB3 LYS 13 HB1 LYS 13 1.302 -6.538 0.250
96 HG2 LYS 13 HG2 LYS 13 -0.622 -7.628 -0.921
97 HG3 LYS 13 HG1 LYS 13 -1.069 -6.122 -0.119
98 HD2 LYS 13 HD2 LYS 13 -1.143 -4.922 -2.157
99 HD3 LYS 13 HD1 LYS 13 -0.234 -6.165 -3.018
100 HE2 LYS 13 HE2 LYS 13 -2.128 -7.733 -2.742
101 HE3 LYS 13 HE1 LYS 13 -3.040 -6.474 -1.909
102 HZ1 LYS 13 HZ1 LYS 13 -2.136 -6.503 -4.729
103 HZ2 LYS 13 HZ2 LYS 13 -3.728 -6.425 -4.143
104 HZ3 LYS 13 HZ3 LYS 13 -2.692 -5.094 -3.961
105 H LYS 14 HN LYS 14 3.426 -4.082 -1.885
106 HA LYS 14 HA LYS 14 5.108 -4.379 0.369
107 HB2 LYS 14 HB2 LYS 14 6.831 -3.488 -0.985
108 HB3 LYS 14 HB1 LYS 14 5.761 -4.324 -2.112
109 HG2 LYS 14 HG2 LYS 14 4.570 -2.036 -2.358
110 HG3 LYS 14 HG1 LYS 14 6.027 -1.361 -1.625
111 HD2 LYS 14 HD2 LYS 14 5.927 -3.068 -4.131
112 HD3 LYS 14 HD1 LYS 14 6.211 -1.328 -4.077
113 HE2 LYS 14 HE2 LYS 14 8.403 -2.029 -4.107
114 HE3 LYS 14 HE1 LYS 14 8.129 -2.098 -2.366
115 HZ1 LYS 14 HZ1 LYS 14 8.997 -4.156 -3.841
116 HZ2 LYS 14 HZ2 LYS 14 8.179 -4.323 -2.361
117 HZ3 LYS 14 HZ3 LYS 14 7.325 -4.463 -3.820
118 H CYS 15 HN CYS 15 3.405 -1.603 -0.996
119 HA CYS 15 HA CYS 15 4.387 0.060 1.239
120 HB2 CYS 15 HB2 CYS 15 3.916 0.575 -1.576
121 HB3 CYS 15 HB1 CYS 15 3.012 1.700 -0.562
122 H MET 16 HN MET 16 1.517 -1.131 -0.404
123 HA MET 16 HA MET 16 -0.441 0.420 0.851
124 HB2 MET 16 HB2 MET 16 -0.554 -1.468 -1.022
125 HB3 MET 16 HB1 MET 16 -0.995 -2.467 0.363
126 HG2 MET 16 HG2 MET 16 -2.647 -0.533 0.933
127 HG3 MET 16 HG1 MET 16 -2.420 -0.063 -0.752
128 HE1 MET 16 HE1 MET 16 -4.915 -1.257 1.169
129 HE2 MET 16 HE2 MET 16 -5.318 -2.941 0.846
130 HE3 MET 16 HE3 MET 16 -3.869 -2.538 1.776
131 H GLN 17 HN GLN 17 1.054 -2.636 1.878
132 HA GLN 17 HA GLN 17 -0.470 -3.140 4.151
133 HB2 GLN 17 HB2 GLN 17 1.332 -4.610 3.116
134 HB3 GLN 17 HB1 GLN 17 2.508 -3.617 3.979
135 HG2 GLN 17 HG2 GLN 17 2.168 -5.214 5.597
136 HG3 GLN 17 HG1 GLN 17 0.842 -4.131 6.018
137 HE21 GLN 17 HE21 GLN 17 -1.339 -4.691 5.001
138 HE22 GLN 17 HE22 GLN 17 -1.684 -6.328 4.712
139 H LYS 18 HN LYS 18 2.537 -1.245 3.874
140 HA LYS 18 HA LYS 18 2.722 -0.508 6.582
141 HB2 LYS 18 HB2 LYS 18 3.812 0.579 4.017
142 HB3 LYS 18 HB1 LYS 18 3.965 1.546 5.485
143 HG2 LYS 18 HG2 LYS 18 5.941 0.103 5.182
144 HG3 LYS 18 HG1 LYS 18 5.044 -0.361 6.627
145 HD2 LYS 18 HD2 LYS 18 4.130 -2.277 5.592
146 HD3 LYS 18 HD1 LYS 18 4.504 -1.687 3.972
147 HE2 LYS 18 HE2 LYS 18 6.751 -2.145 5.906
148 HE3 LYS 18 HE1 LYS 18 6.027 -3.531 5.089
149 HZ1 LYS 18 HZ1 LYS 18 7.610 -1.345 3.997
150 HZ2 LYS 18 HZ2 LYS 18 7.532 -2.975 3.523
151 HZ3 LYS 18 HZ3 LYS 18 6.319 -1.893 3.038
152 H CYS 19 HN CYS 19 1.071 1.016 3.847
153 HA CYS 19 HA CYS 19 0.259 3.348 5.279
154 HB2 CYS 19 HB2 CYS 19 0.106 2.400 2.616
155 HB3 CYS 19 HB1 CYS 19 -1.549 2.716 3.137
156 H ASN 20 HN ASN 20 -1.042 0.132 4.879
157 HA ASN 20 HA ASN 20 -3.676 0.756 5.848
158 HB2 ASN 20 HB2 ASN 20 -2.464 -1.432 4.608
159 HB3 ASN 20 HB1 ASN 20 -2.875 -2.008 6.222
160 HD21 ASN 20 HD21 ASN 20 -5.145 -2.113 6.807
161 HD22 ASN 20 HD22 ASN 20 -6.374 -1.921 5.652
162 H ARG 21 HN ARG 21 -0.782 -0.759 7.262
163 HA ARG 21 HA ARG 21 -1.852 -1.251 9.816
164 HB2 ARG 21 HB2 ARG 21 0.918 -0.916 8.730
165 HB3 ARG 21 HB1 ARG 21 0.675 -1.007 10.474
166 HG2 ARG 21 HG2 ARG 21 -0.706 -3.034 8.765
167 HG3 ARG 21 HG1 ARG 21 1.032 -3.210 9.011
168 HD2 ARG 21 HD2 ARG 21 -0.805 -2.722 11.346
169 HD3 ARG 21 HD1 ARG 21 -0.576 -4.349 10.711
170 HE ARG 21 HE ARG 21 1.960 -3.195 11.117
171 HH11 ARG 21 HH11 ARG 21 -0.823 -4.260 12.876
172 HH12 ARG 21 HH12 ARG 21 0.068 -4.682 14.300
173 HH21 ARG 21 HH21 ARG 21 3.135 -3.746 12.981
174 HH22 ARG 21 HH22 ARG 21 2.309 -4.391 14.359
175 H GLU 22 HN GLU 22 0.377 1.378 8.873
176 HA GLU 22 HA GLU 22 0.252 2.873 11.193
177 HB2 GLU 22 HB2 GLU 22 0.644 3.654 8.315
178 HB3 GLU 22 HB1 GLU 22 0.647 4.866 9.597
179 HG2 GLU 22 HG2 GLU 22 2.934 4.092 9.148
180 HG3 GLU 22 HG1 GLU 22 2.431 3.613 10.766
181 H HIS 23 HN HIS 23 -2.127 2.530 8.679
182 HA HIS 23 HA HIS 23 -3.696 4.808 9.590
183 HB2 HIS 23 HB2 HIS 23 -4.056 2.733 7.431
184 HB3 HIS 23 HB1 HIS 23 -5.348 3.850 7.869
185 HD1 HIS 23 HD1 HIS 23 -1.643 4.666 7.729
186 HD2 HIS 23 HD2 HIS 23 -5.169 5.632 5.724
187 HE1 HIS 23 HE1 HIS 23 -1.062 6.528 6.114
188 HE2 HIS 23 HE2 HIS 23 -3.200 7.128 4.883
189 H GLY 24 HN GLY 24 -3.100 2.170 11.142
190 HA2 GLY 24 HA2 GLY 24 -5.722 1.034 11.566
191 HA3 GLY 24 HA1 GLY 24 -4.256 0.652 12.466
192 H HIS 25 HN HIS 25 -4.971 3.985 12.164
193 HA HIS 25 HA HIS 25 -5.260 4.309 14.989
194 HB2 HIS 25 HB2 HIS 25 -5.477 6.661 14.513
195 HB3 HIS 25 HB1 HIS 25 -4.245 6.005 13.438
196 HD1 HIS 25 HD1 HIS 25 -5.799 4.827 11.177
197 HD2 HIS 25 HD2 HIS 25 -6.927 8.423 12.959
198 HE1 HIS 25 HE1 HIS 25 -7.226 6.051 9.480
199 HE2 HIS 25 HE2 HIS 25 -7.922 8.245 10.551
200 HN1 NH2 26 H1 HIS 25 -7.390 2.636 13.655
201 HN2 NH2 26 H2 HIS 25 -8.856 3.387 14.065
Start of MODEL 10
1 H1 SER 1 HN SER 1 -3.274 9.757 1.302
2 HA SER 1 HA SER 1 -2.667 8.803 -0.735
3 HB2 SER 1 HB2 SER 1 -1.675 11.158 -1.185
4 HB3 SER 1 HB1 SER 1 -0.134 10.422 -0.751
5 HG SER 1 HG SER 1 -1.028 8.705 -2.334
6 H CYS 2 HN CYS 2 -1.869 6.801 -0.815
7 HA CYS 2 HA CYS 2 0.771 6.174 0.201
8 HB2 CYS 2 HB2 CYS 2 -1.266 6.009 2.034
9 HB3 CYS 2 HB1 CYS 2 -1.218 4.369 1.389
10 H LYS 3 HN LYS 3 -1.930 5.609 -1.736
11 HA LYS 3 HA LYS 3 -1.178 2.882 -2.460
12 HB2 LYS 3 HB2 LYS 3 -3.556 3.409 -2.296
13 HB3 LYS 3 HB1 LYS 3 -3.374 4.693 -3.490
14 HG2 LYS 3 HG2 LYS 3 -2.982 3.185 -5.246
15 HG3 LYS 3 HG1 LYS 3 -2.529 1.880 -4.150
16 HD2 LYS 3 HD2 LYS 3 -4.887 1.801 -3.328
17 HD3 LYS 3 HD1 LYS 3 -5.312 3.022 -4.529
18 HE2 LYS 3 HE2 LYS 3 -3.859 0.967 -5.868
19 HE3 LYS 3 HE1 LYS 3 -5.097 0.189 -4.882
20 HZ1 LYS 3 HZ1 LYS 3 -5.505 2.346 -6.880
21 HZ2 LYS 3 HZ2 LYS 3 -6.028 0.733 -6.997
22 HZ3 LYS 3 HZ3 LYS 3 -6.718 1.765 -5.841
23 H LYS 4 HN LYS 4 -1.754 5.916 -4.261
24 HA LYS 4 HA LYS 4 -0.273 4.979 -6.538
25 HB2 LYS 4 HB2 LYS 4 -2.059 7.121 -5.954
26 HB3 LYS 4 HB1 LYS 4 -0.570 7.817 -6.592
27 HG2 LYS 4 HG2 LYS 4 -2.034 7.314 -8.458
28 HG3 LYS 4 HG1 LYS 4 -0.689 6.176 -8.491
29 HD2 LYS 4 HD2 LYS 4 -2.212 4.513 -8.497
30 HD3 LYS 4 HD1 LYS 4 -2.618 4.971 -6.843
31 HE2 LYS 4 HE2 LYS 4 -4.659 5.007 -8.138
32 HE3 LYS 4 HE1 LYS 4 -4.212 6.676 -7.787
33 HZ1 LYS 4 HZ1 LYS 4 -2.985 5.755 -10.179
34 HZ2 LYS 4 HZ2 LYS 4 -4.673 5.588 -10.263
35 HZ3 LYS 4 HZ3 LYS 4 -3.987 7.104 -9.935
36 H GLU 5 HN GLU 5 0.739 5.949 -3.578
37 HA GLU 5 HA GLU 5 3.190 7.244 -4.608
38 HB2 GLU 5 HB2 GLU 5 1.677 7.466 -2.032
39 HB3 GLU 5 HB1 GLU 5 3.416 7.762 -2.038
40 HG2 GLU 5 HG2 GLU 5 1.789 9.074 -4.168
41 HG3 GLU 5 HG1 GLU 5 1.659 9.716 -2.532
42 H CYS 6 HN CYS 6 2.346 4.292 -4.290
43 HA CYS 6 HA CYS 6 4.883 3.448 -3.072
44 HB2 CYS 6 HB2 CYS 6 3.137 3.243 -1.324
45 HB3 CYS 6 HB1 CYS 6 2.211 2.195 -2.397
46 H SER 7 HN SER 7 2.148 2.824 -5.168
47 HA SER 7 HA SER 7 2.527 0.302 -6.110
48 HB2 SER 7 HB2 SER 7 2.215 1.851 -8.441
49 HB3 SER 7 HB1 SER 7 0.949 1.069 -7.498
50 HG SER 7 HG SER 7 1.533 3.683 -7.743
51 H GLY 8 HN GLY 8 3.927 -0.786 -7.424
52 HA2 GLY 8 HA2 GLY 8 6.217 0.702 -8.547
53 HA3 GLY 8 HA1 GLY 8 6.493 -0.722 -7.549
54 H SER 9 HN SER 9 6.884 -2.503 -8.681
55 HA SER 9 HA SER 9 6.159 -2.665 -11.486
56 HB2 SER 9 HB2 SER 9 8.363 -3.459 -10.662
57 HB3 SER 9 HB1 SER 9 7.541 -4.701 -9.722
58 HG SER 9 HG SER 9 7.482 -4.348 -12.543
59 H ARG 10 HN ARG 10 3.871 -2.754 -11.360
60 HA ARG 10 HA ARG 10 1.816 -3.775 -11.194
61 HB2 ARG 10 HB2 ARG 10 3.309 -6.390 -11.292
62 HB3 ARG 10 HB1 ARG 10 1.726 -6.002 -11.965
63 HG2 ARG 10 HG2 ARG 10 4.385 -4.894 -12.916
64 HG3 ARG 10 HG1 ARG 10 3.396 -6.086 -13.759
65 HD2 ARG 10 HD2 ARG 10 2.677 -4.167 -14.825
66 HD3 ARG 10 HD1 ARG 10 1.529 -4.215 -13.491
67 HE ARG 10 HE ARG 10 3.774 -2.768 -12.632
68 HH11 ARG 10 HH11 ARG 10 1.230 -2.600 -14.973
69 HH12 ARG 10 HH12 ARG 10 1.182 -0.869 -15.000
70 HH21 ARG 10 HH21 ARG 10 3.716 -0.497 -12.663
71 HH22 ARG 10 HH22 ARG 10 2.590 0.322 -13.693
72 H ARG 11 HN ARG 11 3.513 -3.379 -8.713
73 HA ARG 11 HA ARG 11 1.939 -5.167 -6.971
74 HB2 ARG 11 HB2 ARG 11 4.432 -5.809 -7.246
75 HB3 ARG 11 HB1 ARG 11 4.759 -4.370 -6.280
76 HG2 ARG 11 HG2 ARG 11 3.333 -5.220 -4.478
77 HG3 ARG 11 HG1 ARG 11 2.920 -6.635 -5.447
78 HD2 ARG 11 HD2 ARG 11 5.786 -5.962 -4.799
79 HD3 ARG 11 HD1 ARG 11 4.792 -6.905 -3.691
80 HE ARG 11 HE ARG 11 4.692 -7.959 -6.354
81 HH11 ARG 11 HH11 ARG 11 6.592 -7.741 -3.471
82 HH12 ARG 11 HH12 ARG 11 7.423 -9.236 -3.739
83 HH21 ARG 11 HH21 ARG 11 5.778 -9.921 -6.713
84 HH22 ARG 11 HH22 ARG 11 6.962 -10.471 -5.576
85 H THR 12 HN THR 12 1.536 -4.324 -4.849
86 HA THR 12 HA THR 12 2.201 -1.552 -4.296
87 HB THR 12 HB THR 12 -0.647 -2.417 -4.840
88 HG1 THR 12 HG1 THR 12 1.125 -1.447 -6.402
89 HG21 THR 12 HG21 THR 12 0.516 -0.089 -3.349
90 HG22 THR 12 HG22 THR 12 -0.973 0.126 -4.266
91 HG23 THR 12 HG23 THR 12 -0.905 -1.060 -2.962
92 H LYS 13 HN LYS 13 0.714 -4.586 -3.429
93 HA LYS 13 HA LYS 13 0.064 -3.890 -0.731
94 HB2 LYS 13 HB2 LYS 13 0.531 -6.614 -1.956
95 HB3 LYS 13 HB1 LYS 13 -0.265 -6.289 -0.415
96 HG2 LYS 13 HG2 LYS 13 -2.077 -5.138 -1.502
97 HG3 LYS 13 HG1 LYS 13 -1.235 -5.159 -3.052
98 HD2 LYS 13 HD2 LYS 13 -1.692 -7.390 -3.428
99 HD3 LYS 13 HD1 LYS 13 -1.732 -7.779 -1.708
100 HE2 LYS 13 HE2 LYS 13 -3.981 -7.752 -3.025
101 HE3 LYS 13 HE1 LYS 13 -3.923 -6.970 -1.446
102 HZ1 LYS 13 HZ1 LYS 13 -4.214 -5.804 -4.080
103 HZ2 LYS 13 HZ2 LYS 13 -4.754 -5.237 -2.573
104 HZ3 LYS 13 HZ3 LYS 13 -3.146 -4.980 -3.047
105 H LYS 14 HN LYS 14 2.964 -3.983 -2.164
106 HA LYS 14 HA LYS 14 4.547 -5.535 -0.379
107 HB2 LYS 14 HB2 LYS 14 6.442 -4.140 -1.306
108 HB3 LYS 14 HB1 LYS 14 5.480 -4.987 -2.516
109 HG2 LYS 14 HG2 LYS 14 4.166 -2.923 -2.905
110 HG3 LYS 14 HG1 LYS 14 5.159 -2.078 -1.721
111 HD2 LYS 14 HD2 LYS 14 7.158 -2.466 -3.073
112 HD3 LYS 14 HD1 LYS 14 6.210 -3.383 -4.244
113 HE2 LYS 14 HE2 LYS 14 5.754 -1.454 -5.313
114 HE3 LYS 14 HE1 LYS 14 4.859 -0.923 -3.891
115 HZ1 LYS 14 HZ1 LYS 14 6.840 0.471 -4.739
116 HZ2 LYS 14 HZ2 LYS 14 6.659 0.217 -3.069
117 HZ3 LYS 14 HZ3 LYS 14 7.790 -0.693 -3.945
118 H CYS 15 HN CYS 15 3.563 -2.143 -0.457
119 HA CYS 15 HA CYS 15 4.578 -1.848 2.306
120 HB2 CYS 15 HB2 CYS 15 5.692 0.068 1.815
121 HB3 CYS 15 HB1 CYS 15 5.696 -0.573 0.172
122 H MET 16 HN MET 16 2.118 -1.169 -0.077
123 HA MET 16 HA MET 16 0.585 0.754 1.203
124 HB2 MET 16 HB2 MET 16 0.090 -0.081 -1.051
125 HB3 MET 16 HB1 MET 16 -0.394 -1.633 -0.377
126 HG2 MET 16 HG2 MET 16 -2.390 -0.832 0.398
127 HG3 MET 16 HG1 MET 16 -1.718 0.751 0.791
128 HE1 MET 16 HE1 MET 16 -4.472 -0.500 -1.024
129 HE2 MET 16 HE2 MET 16 -4.110 -0.513 -2.748
130 HE3 MET 16 HE3 MET 16 -3.255 -1.607 -1.652
131 H GLN 17 HN GLN 17 0.569 -2.768 1.666
132 HA GLN 17 HA GLN 17 -1.562 -2.974 3.448
133 HB2 GLN 17 HB2 GLN 17 0.940 -4.562 3.005
134 HB3 GLN 17 HB1 GLN 17 -0.090 -4.940 4.385
135 HG2 GLN 17 HG2 GLN 17 -1.430 -4.577 1.746
136 HG3 GLN 17 HG1 GLN 17 -0.487 -6.048 1.977
137 HE21 GLN 17 HE21 GLN 17 -3.348 -4.286 3.083
138 HE22 GLN 17 HE22 GLN 17 -3.993 -5.562 4.000
139 H LYS 18 HN LYS 18 1.903 -2.766 4.301
140 HA LYS 18 HA LYS 18 1.566 -2.478 7.056
141 HB2 LYS 18 HB2 LYS 18 3.721 -1.749 5.117
142 HB3 LYS 18 HB1 LYS 18 3.822 -1.124 6.763
143 HG2 LYS 18 HG2 LYS 18 5.001 -3.289 6.552
144 HG3 LYS 18 HG1 LYS 18 3.630 -3.411 7.656
145 HD2 LYS 18 HD2 LYS 18 2.259 -4.439 5.945
146 HD3 LYS 18 HD1 LYS 18 3.498 -4.155 4.722
147 HE2 LYS 18 HE2 LYS 18 5.032 -5.670 5.866
148 HE3 LYS 18 HE1 LYS 18 3.873 -5.894 7.177
149 HZ1 LYS 18 HZ1 LYS 18 3.981 -7.609 5.268
150 HZ2 LYS 18 HZ2 LYS 18 2.465 -7.109 5.848
151 HZ3 LYS 18 HZ3 LYS 18 3.074 -6.462 4.404
152 H CYS 19 HN CYS 19 1.339 -0.116 4.471
153 HA CYS 19 HA CYS 19 1.324 2.178 6.201
154 HB2 CYS 19 HB2 CYS 19 2.015 2.519 3.934
155 HB3 CYS 19 HB1 CYS 19 0.541 1.779 3.310
156 H ASN 20 HN ASN 20 -1.110 0.105 4.723
157 HA ASN 20 HA ASN 20 -3.385 1.665 5.290
158 HB2 ASN 20 HB2 ASN 20 -2.895 -0.798 4.103
159 HB3 ASN 20 HB1 ASN 20 -3.853 -1.201 5.528
160 HD21 ASN 20 HD21 ASN 20 -4.449 -0.870 2.435
161 HD22 ASN 20 HD22 ASN 20 -5.888 0.030 2.440
162 H ARG 21 HN ARG 21 -1.591 -0.679 7.224
163 HA ARG 21 HA ARG 21 -3.474 -0.671 9.400
164 HB2 ARG 21 HB2 ARG 21 -0.843 -1.900 8.822
165 HB3 ARG 21 HB1 ARG 21 -1.206 -1.614 10.524
166 HG2 ARG 21 HG2 ARG 21 -3.172 -2.946 10.440
167 HG3 ARG 21 HG1 ARG 21 -3.188 -2.948 8.676
168 HD2 ARG 21 HD2 ARG 21 -0.736 -4.030 9.940
169 HD3 ARG 21 HD1 ARG 21 -2.195 -4.991 10.162
170 HE ARG 21 HE ARG 21 -1.720 -4.146 7.427
171 HH11 ARG 21 HH11 ARG 21 -1.184 -6.515 9.891
172 HH12 ARG 21 HH12 ARG 21 -0.869 -7.804 8.777
173 HH21 ARG 21 HH21 ARG 21 -1.310 -5.830 5.960
174 HH22 ARG 21 HH22 ARG 21 -0.941 -7.416 6.551
175 H GLU 22 HN GLU 22 -0.390 0.930 8.704
176 HA GLU 22 HA GLU 22 -0.146 2.204 11.240
177 HB2 GLU 22 HB2 GLU 22 1.175 2.415 8.584
178 HB3 GLU 22 HB1 GLU 22 1.317 3.803 9.664
179 HG2 GLU 22 HG2 GLU 22 2.426 2.569 11.319
180 HG3 GLU 22 HG1 GLU 22 1.832 1.027 10.702
181 H HIS 23 HN HIS 23 -1.458 3.222 8.109
182 HA HIS 23 HA HIS 23 -2.056 5.889 8.897
183 HB2 HIS 23 HB2 HIS 23 -1.872 5.041 6.522
184 HB3 HIS 23 HB1 HIS 23 -3.452 4.290 6.745
185 HD1 HIS 23 HD1 HIS 23 -2.595 7.629 8.259
186 HD2 HIS 23 HD2 HIS 23 -4.821 6.124 5.070
187 HE1 HIS 23 HE1 HIS 23 -3.968 9.563 7.367
188 HE2 HIS 23 HE2 HIS 23 -5.330 8.661 5.423
189 H GLY 24 HN GLY 24 -3.299 3.047 10.012
190 HA2 GLY 24 HA2 GLY 24 -6.089 3.805 10.185
191 HA3 GLY 24 HA1 GLY 24 -5.340 2.391 10.922
192 H HIS 25 HN HIS 25 -3.699 5.327 11.487
193 HA HIS 25 HA HIS 25 -4.058 5.182 14.299
194 HB2 HIS 25 HB2 HIS 25 -2.458 6.674 12.456
195 HB3 HIS 25 HB1 HIS 25 -3.227 7.802 13.574
196 HD1 HIS 25 HD1 HIS 25 -0.577 5.244 13.360
197 HD2 HIS 25 HD2 HIS 25 -2.669 7.200 16.390
198 HE1 HIS 25 HE1 HIS 25 0.715 4.839 15.500
199 HE2 HIS 25 HE2 HIS 25 -0.547 6.026 17.357
200 HN1 NH2 26 H1 HIS 25 -5.214 7.743 12.022
201 HN2 NH2 26 H2 HIS 25 -6.548 8.178 12.978
Start of MODEL 11
1 H1 SER 1 HN SER 1 0.092 10.599 0.995
2 HA SER 1 HA SER 1 0.842 10.171 -1.819
3 HB2 SER 1 HB2 SER 1 2.817 10.949 0.286
4 HB3 SER 1 HB1 SER 1 2.755 11.403 -1.415
5 HG SER 1 HG SER 1 0.852 12.630 -0.868
6 H CYS 2 HN CYS 2 0.031 7.987 -0.004
7 HA CYS 2 HA CYS 2 2.366 6.282 -0.448
8 HB2 CYS 2 HB2 CYS 2 2.912 6.625 1.757
9 HB3 CYS 2 HB1 CYS 2 1.252 6.993 2.223
10 H LYS 3 HN LYS 3 -1.012 6.577 0.561
11 HA LYS 3 HA LYS 3 -1.869 3.975 0.561
12 HB2 LYS 3 HB2 LYS 3 -4.030 4.934 -0.467
13 HB3 LYS 3 HB1 LYS 3 -3.485 5.612 1.068
14 HG2 LYS 3 HG2 LYS 3 -2.318 6.938 -1.282
15 HG3 LYS 3 HG1 LYS 3 -4.073 7.089 -1.184
16 HD2 LYS 3 HD2 LYS 3 -2.322 7.608 1.217
17 HD3 LYS 3 HD1 LYS 3 -2.662 8.875 0.039
18 HE2 LYS 3 HE2 LYS 3 -4.799 9.130 0.758
19 HE3 LYS 3 HE1 LYS 3 -5.051 7.391 0.895
20 HZ1 LYS 3 HZ1 LYS 3 -4.354 9.283 2.912
21 HZ2 LYS 3 HZ2 LYS 3 -4.906 7.685 3.077
22 HZ3 LYS 3 HZ3 LYS 3 -3.252 7.991 2.865
23 H LYS 4 HN LYS 4 -3.087 5.606 -2.239
24 HA LYS 4 HA LYS 4 -2.458 3.317 -3.896
25 HB2 LYS 4 HB2 LYS 4 -3.829 4.374 -5.563
26 HB3 LYS 4 HB1 LYS 4 -4.635 4.581 -4.008
27 HG2 LYS 4 HG2 LYS 4 -3.471 6.839 -3.840
28 HG3 LYS 4 HG1 LYS 4 -3.007 6.629 -5.529
29 HD2 LYS 4 HD2 LYS 4 -5.008 7.525 -6.066
30 HD3 LYS 4 HD1 LYS 4 -5.729 6.018 -5.498
31 HE2 LYS 4 HE2 LYS 4 -5.855 6.965 -3.206
32 HE3 LYS 4 HE1 LYS 4 -5.197 8.484 -3.814
33 HZ1 LYS 4 HZ1 LYS 4 -7.521 8.731 -3.790
34 HZ2 LYS 4 HZ2 LYS 4 -7.110 8.479 -5.420
35 HZ3 LYS 4 HZ3 LYS 4 -7.780 7.214 -4.510
36 H GLU 5 HN GLU 5 -0.617 5.789 -2.903
37 HA GLU 5 HA GLU 5 0.707 6.188 -5.512
38 HB2 GLU 5 HB2 GLU 5 0.885 7.779 -2.942
39 HB3 GLU 5 HB1 GLU 5 1.826 8.112 -4.397
40 HG2 GLU 5 HG2 GLU 5 -0.921 7.837 -5.150
41 HG3 GLU 5 HG1 GLU 5 -0.831 8.958 -3.793
42 H CYS 6 HN CYS 6 1.655 4.031 -5.319
43 HA CYS 6 HA CYS 6 4.305 4.128 -4.301
44 HB2 CYS 6 HB2 CYS 6 3.862 3.548 -2.162
45 HB3 CYS 6 HB1 CYS 6 2.224 3.021 -2.547
46 H SER 7 HN SER 7 1.584 2.141 -5.352
47 HA SER 7 HA SER 7 2.694 -0.225 -6.074
48 HB2 SER 7 HB2 SER 7 0.910 -0.506 -7.488
49 HB3 SER 7 HB1 SER 7 0.332 0.905 -6.607
50 HG SER 7 HG SER 7 1.659 2.028 -8.386
51 H GLY 8 HN GLY 8 4.008 -1.040 -7.658
52 HA2 GLY 8 HA2 GLY 8 5.440 0.956 -9.306
53 HA3 GLY 8 HA1 GLY 8 6.150 -0.543 -8.714
54 H SER 9 HN SER 9 4.113 -2.343 -9.304
55 HA SER 9 HA SER 9 2.935 -2.265 -11.800
56 HB2 SER 9 HB2 SER 9 4.801 -2.042 -13.107
57 HB3 SER 9 HB1 SER 9 5.861 -2.771 -11.903
58 HG SER 9 HG SER 9 5.678 -4.307 -13.425
59 H ARG 10 HN ARG 10 5.233 -4.547 -10.288
60 HA ARG 10 HA ARG 10 3.073 -6.563 -10.275
61 HB2 ARG 10 HB2 ARG 10 4.781 -8.255 -10.330
62 HB3 ARG 10 HB1 ARG 10 5.156 -7.081 -11.592
63 HG2 ARG 10 HG2 ARG 10 6.657 -5.920 -9.888
64 HG3 ARG 10 HG1 ARG 10 6.448 -7.346 -8.870
65 HD2 ARG 10 HD2 ARG 10 7.138 -8.644 -11.053
66 HD3 ARG 10 HD1 ARG 10 7.840 -7.097 -11.517
67 HE ARG 10 HE ARG 10 8.789 -8.871 -9.428
68 HH11 ARG 10 HH11 ARG 10 8.698 -5.661 -10.717
69 HH12 ARG 10 HH12 ARG 10 10.172 -5.165 -9.955
70 HH21 ARG 10 HH21 ARG 10 10.724 -8.227 -8.425
71 HH22 ARG 10 HH22 ARG 10 11.319 -6.618 -8.658
72 H ARG 11 HN ARG 11 4.403 -4.378 -8.286
73 HA ARG 11 HA ARG 11 3.868 -6.039 -5.917
74 HB2 ARG 11 HB2 ARG 11 6.396 -5.765 -6.477
75 HB3 ARG 11 HB1 ARG 11 6.174 -4.113 -5.899
76 HG2 ARG 11 HG2 ARG 11 6.695 -5.120 -3.893
77 HG3 ARG 11 HG1 ARG 11 4.953 -5.395 -3.890
78 HD2 ARG 11 HD2 ARG 11 6.094 -7.485 -3.367
79 HD3 ARG 11 HD1 ARG 11 5.333 -7.616 -4.950
80 HE ARG 11 HE ARG 11 7.847 -6.782 -5.556
81 HH11 ARG 11 HH11 ARG 11 6.547 -9.295 -3.564
82 HH12 ARG 11 HH12 ARG 11 7.884 -10.369 -3.805
83 HH21 ARG 11 HH21 ARG 11 9.605 -8.184 -5.878
84 HH22 ARG 11 HH22 ARG 11 9.616 -9.740 -5.116
85 H THR 12 HN THR 12 2.795 -4.990 -4.312
86 HA THR 12 HA THR 12 2.592 -2.063 -4.400
87 HB THR 12 HB THR 12 0.206 -3.927 -4.431
88 HG1 THR 12 HG1 THR 12 1.534 -2.376 -6.292
89 HG21 THR 12 HG21 THR 12 0.571 -1.072 -3.682
90 HG22 THR 12 HG22 THR 12 -0.831 -1.456 -4.680
91 HG23 THR 12 HG23 THR 12 -0.621 -2.241 -3.114
92 H LYS 13 HN LYS 13 2.410 -5.083 -2.720
93 HA LYS 13 HA LYS 13 1.417 -4.078 -0.233
94 HB2 LYS 13 HB2 LYS 13 2.963 -6.581 -0.936
95 HB3 LYS 13 HB1 LYS 13 2.323 -6.240 0.671
96 HG2 LYS 13 HG2 LYS 13 0.096 -6.387 -0.039
97 HG3 LYS 13 HG1 LYS 13 0.515 -6.094 -1.728
98 HD2 LYS 13 HD2 LYS 13 1.552 -8.289 -1.901
99 HD3 LYS 13 HD1 LYS 13 1.292 -8.583 -0.182
100 HE2 LYS 13 HE2 LYS 13 -0.476 -9.721 -1.338
101 HE3 LYS 13 HE1 LYS 13 -1.193 -8.278 -0.622
102 HZ1 LYS 13 HZ1 LYS 13 -1.941 -7.947 -2.693
103 HZ2 LYS 13 HZ2 LYS 13 -0.380 -7.345 -2.987
104 HZ3 LYS 13 HZ3 LYS 13 -0.764 -8.944 -3.406
105 H LYS 14 HN LYS 14 4.193 -3.362 -1.818
106 HA LYS 14 HA LYS 14 6.189 -3.594 0.181
107 HB2 LYS 14 HB2 LYS 14 6.626 -3.191 -2.250
108 HB3 LYS 14 HB1 LYS 14 6.037 -1.542 -2.036
109 HG2 LYS 14 HG2 LYS 14 7.776 -1.132 -0.338
110 HG3 LYS 14 HG1 LYS 14 8.364 -2.784 -0.539
111 HD2 LYS 14 HD2 LYS 14 8.701 -2.239 -3.002
112 HD3 LYS 14 HD1 LYS 14 8.398 -0.552 -2.582
113 HE2 LYS 14 HE2 LYS 14 10.772 -0.827 -2.508
114 HE3 LYS 14 HE1 LYS 14 10.237 -0.799 -0.828
115 HZ1 LYS 14 HZ1 LYS 14 11.647 -2.808 -2.141
116 HZ2 LYS 14 HZ2 LYS 14 11.067 -2.815 -0.544
117 HZ3 LYS 14 HZ3 LYS 14 10.105 -3.434 -1.797
118 H CYS 15 HN CYS 15 3.984 -0.956 -0.710
119 HA CYS 15 HA CYS 15 4.707 0.388 1.827
120 HB2 CYS 15 HB2 CYS 15 3.452 2.137 -0.112
121 HB3 CYS 15 HB1 CYS 15 4.997 2.317 0.719
122 H MET 16 HN MET 16 2.163 -0.645 -0.345
123 HA MET 16 HA MET 16 -0.054 0.648 0.699
124 HB2 MET 16 HB2 MET 16 0.017 -0.926 -1.283
125 HB3 MET 16 HB1 MET 16 -0.030 -2.259 -0.129
126 HG2 MET 16 HG2 MET 16 -2.298 -1.974 -0.562
127 HG3 MET 16 HG1 MET 16 -2.094 -0.937 0.849
128 HE1 MET 16 HE1 MET 16 -3.593 0.872 0.833
129 HE2 MET 16 HE2 MET 16 -4.316 1.615 -0.591
130 HE3 MET 16 HE3 MET 16 -4.544 -0.110 -0.277
131 H GLN 17 HN GLN 17 1.549 -2.296 1.863
132 HA GLN 17 HA GLN 17 -0.267 -2.962 3.897
133 HB2 GLN 17 HB2 GLN 17 1.746 -4.302 3.001
134 HB3 GLN 17 HB1 GLN 17 2.708 -3.365 4.145
135 HG2 GLN 17 HG2 GLN 17 2.107 -5.285 5.375
136 HG3 GLN 17 HG1 GLN 17 0.939 -4.074 5.899
137 HE21 GLN 17 HE21 GLN 17 -1.281 -4.454 5.433
138 HE22 GLN 17 HE22 GLN 17 -1.834 -5.825 4.599
139 H LYS 18 HN LYS 18 2.791 -1.129 4.144
140 HA LYS 18 HA LYS 18 2.625 -0.438 6.831
141 HB2 LYS 18 HB2 LYS 18 3.885 0.886 4.446
142 HB3 LYS 18 HB1 LYS 18 3.932 1.665 6.028
143 HG2 LYS 18 HG2 LYS 18 5.940 0.257 5.628
144 HG3 LYS 18 HG1 LYS 18 4.993 -0.317 7.002
145 HD2 LYS 18 HD2 LYS 18 4.097 -2.130 5.778
146 HD3 LYS 18 HD1 LYS 18 4.548 -1.417 4.228
147 HE2 LYS 18 HE2 LYS 18 6.535 -2.352 6.317
148 HE3 LYS 18 HE1 LYS 18 6.050 -3.300 4.912
149 HZ1 LYS 18 HZ1 LYS 18 8.039 -2.160 4.362
150 HZ2 LYS 18 HZ2 LYS 18 6.779 -1.385 3.524
151 HZ3 LYS 18 HZ3 LYS 18 7.430 -0.675 4.922
152 H CYS 19 HN CYS 19 1.099 1.043 4.020
153 HA CYS 19 HA CYS 19 0.093 3.329 5.419
154 HB2 CYS 19 HB2 CYS 19 0.087 2.327 2.726
155 HB3 CYS 19 HB1 CYS 19 -1.555 2.781 3.185
156 H ASN 20 HN ASN 20 -1.193 0.140 4.591
157 HA ASN 20 HA ASN 20 -3.857 0.561 5.391
158 HB2 ASN 20 HB2 ASN 20 -2.890 -1.428 4.116
159 HB3 ASN 20 HB1 ASN 20 -2.374 -2.049 5.682
160 HD21 ASN 20 HD21 ASN 20 -4.494 -1.512 7.355
161 HD22 ASN 20 HD22 ASN 20 -5.911 -2.256 6.787
162 H ARG 21 HN ARG 21 -0.948 -0.155 7.209
163 HA ARG 21 HA ARG 21 -2.352 -0.758 9.661
164 HB2 ARG 21 HB2 ARG 21 0.381 -0.845 8.694
165 HB3 ARG 21 HB1 ARG 21 0.293 -0.103 10.293
166 HG2 ARG 21 HG2 ARG 21 0.543 -2.557 10.460
167 HG3 ARG 21 HG1 ARG 21 -1.002 -2.024 11.125
168 HD2 ARG 21 HD2 ARG 21 -1.149 -2.584 8.260
169 HD3 ARG 21 HD1 ARG 21 -0.662 -3.992 9.198
170 HE ARG 21 HE ARG 21 -2.887 -2.695 10.419
171 HH11 ARG 21 HH11 ARG 21 -1.940 -4.684 7.749
172 HH12 ARG 21 HH12 ARG 21 -3.484 -5.456 7.598
173 HH21 ARG 21 HH21 ARG 21 -4.914 -3.702 10.226
174 HH22 ARG 21 HH22 ARG 21 -5.168 -4.899 9.000
175 H GLU 22 HN GLU 22 -0.565 2.000 8.326
176 HA GLU 22 HA GLU 22 -0.807 3.633 10.653
177 HB2 GLU 22 HB2 GLU 22 -0.028 4.083 7.798
178 HB3 GLU 22 HB1 GLU 22 -0.379 5.477 8.820
179 HG2 GLU 22 HG2 GLU 22 1.427 5.092 10.207
180 HG3 GLU 22 HG1 GLU 22 1.406 3.352 9.927
181 H HIS 23 HN HIS 23 -2.617 3.439 7.598
182 HA HIS 23 HA HIS 23 -4.471 5.507 8.358
183 HB2 HIS 23 HB2 HIS 23 -3.898 4.983 5.988
184 HB3 HIS 23 HB1 HIS 23 -4.725 3.436 6.165
185 HD1 HIS 23 HD1 HIS 23 -7.332 3.513 6.553
186 HD2 HIS 23 HD2 HIS 23 -5.604 7.210 5.698
187 HE1 HIS 23 HE1 HIS 23 -9.238 5.081 5.985
188 HE2 HIS 23 HE2 HIS 23 -8.201 7.338 5.461
189 H GLY 24 HN GLY 24 -4.162 2.162 8.998
190 HA2 GLY 24 HA2 GLY 24 -7.013 1.811 9.580
191 HA3 GLY 24 HA1 GLY 24 -5.781 0.554 9.620
192 H HIS 25 HN HIS 25 -5.169 3.616 11.139
193 HA HIS 25 HA HIS 25 -5.016 2.295 13.738
194 HB2 HIS 25 HB2 HIS 25 -3.185 3.793 12.937
195 HB3 HIS 25 HB1 HIS 25 -4.317 5.144 12.995
196 HD1 HIS 25 HD1 HIS 25 -4.352 2.423 15.592
197 HD2 HIS 25 HD2 HIS 25 -3.060 6.370 15.229
198 HE1 HIS 25 HE1 HIS 25 -3.749 3.198 17.927
199 HE2 HIS 25 HE2 HIS 25 -2.961 5.602 17.723
200 HN1 NH2 26 H1 HIS 25 -6.633 5.239 12.413
201 HN2 NH2 26 H2 HIS 25 -7.866 5.253 13.580
Start of MODEL 12
1 H1 SER 1 HN SER 1 0.419 10.625 0.804
2 HA SER 1 HA SER 1 0.674 9.645 -1.901
3 HB2 SER 1 HB2 SER 1 3.107 10.374 -2.050
4 HB3 SER 1 HB1 SER 1 1.907 11.642 -2.286
5 HG SER 1 HG SER 1 3.829 11.779 -0.645
6 H CYS 2 HN CYS 2 0.147 7.825 -0.385
7 HA CYS 2 HA CYS 2 2.581 6.396 0.245
8 HB2 CYS 2 HB2 CYS 2 2.274 7.680 2.313
9 HB3 CYS 2 HB1 CYS 2 0.622 7.078 2.451
10 H LYS 3 HN LYS 3 -0.948 6.546 0.380
11 HA LYS 3 HA LYS 3 -1.427 3.776 0.675
12 HB2 LYS 3 HB2 LYS 3 -3.677 4.358 -0.357
13 HB3 LYS 3 HB1 LYS 3 -3.238 5.272 1.087
14 HG2 LYS 3 HG2 LYS 3 -2.242 6.515 -1.365
15 HG3 LYS 3 HG1 LYS 3 -4.000 6.370 -1.351
16 HD2 LYS 3 HD2 LYS 3 -2.393 7.507 0.954
17 HD3 LYS 3 HD1 LYS 3 -3.123 8.499 -0.309
18 HE2 LYS 3 HE2 LYS 3 -5.094 6.656 0.689
19 HE3 LYS 3 HE1 LYS 3 -4.361 7.508 2.046
20 HZ1 LYS 3 HZ1 LYS 3 -5.208 8.975 -0.366
21 HZ2 LYS 3 HZ2 LYS 3 -6.334 8.586 0.845
22 HZ3 LYS 3 HZ3 LYS 3 -4.991 9.554 1.216
23 H LYS 4 HN LYS 4 -3.026 4.823 -2.106
24 HA LYS 4 HA LYS 4 -2.104 2.708 -3.709
25 HB2 LYS 4 HB2 LYS 4 -3.928 4.940 -3.974
26 HB3 LYS 4 HB1 LYS 4 -3.005 4.707 -5.458
27 HG2 LYS 4 HG2 LYS 4 -3.616 2.306 -5.452
28 HG3 LYS 4 HG1 LYS 4 -4.567 2.562 -3.987
29 HD2 LYS 4 HD2 LYS 4 -6.047 4.097 -5.154
30 HD3 LYS 4 HD1 LYS 4 -5.043 4.021 -6.602
31 HE2 LYS 4 HE2 LYS 4 -5.639 1.768 -7.034
32 HE3 LYS 4 HE1 LYS 4 -6.277 1.539 -5.406
33 HZ1 LYS 4 HZ1 LYS 4 -8.040 3.107 -5.909
34 HZ2 LYS 4 HZ2 LYS 4 -7.426 3.329 -7.478
35 HZ3 LYS 4 HZ3 LYS 4 -8.051 1.821 -7.019
36 H GLU 5 HN GLU 5 -0.767 5.818 -3.060
37 HA GLU 5 HA GLU 5 0.736 6.255 -5.398
38 HB2 GLU 5 HB2 GLU 5 0.346 7.754 -3.277
39 HB3 GLU 5 HB1 GLU 5 1.822 6.982 -2.705
40 HG2 GLU 5 HG2 GLU 5 2.653 8.857 -3.835
41 HG3 GLU 5 HG1 GLU 5 2.766 7.596 -5.061
42 H CYS 6 HN CYS 6 1.068 3.920 -2.908
43 HA CYS 6 HA CYS 6 3.894 3.471 -3.239
44 HB2 CYS 6 HB2 CYS 6 3.075 2.849 -1.124
45 HB3 CYS 6 HB1 CYS 6 1.676 2.023 -1.809
46 H SER 7 HN SER 7 1.060 2.558 -4.924
47 HA SER 7 HA SER 7 1.675 0.033 -5.922
48 HB2 SER 7 HB2 SER 7 -0.479 1.199 -6.293
49 HB3 SER 7 HB1 SER 7 0.327 2.307 -7.399
50 HG SER 7 HG SER 7 -0.322 -0.392 -7.691
51 H GLY 8 HN GLY 8 3.465 -0.619 -6.922
52 HA2 GLY 8 HA2 GLY 8 4.955 1.309 -8.590
53 HA3 GLY 8 HA1 GLY 8 5.629 -0.147 -7.867
54 H SER 9 HN SER 9 6.040 -1.694 -9.293
55 HA SER 9 HA SER 9 4.256 -1.981 -11.638
56 HB2 SER 9 HB2 SER 9 6.611 -1.146 -12.105
57 HB3 SER 9 HB1 SER 9 7.181 -2.723 -11.565
58 HG SER 9 HG SER 9 5.544 -2.063 -13.770
59 H ARG 10 HN ARG 10 3.084 -3.771 -11.491
60 HA ARG 10 HA ARG 10 2.433 -5.923 -11.021
61 HB2 ARG 10 HB2 ARG 10 5.374 -6.607 -11.080
62 HB3 ARG 10 HB1 ARG 10 4.007 -7.648 -11.483
63 HG2 ARG 10 HG2 ARG 10 3.562 -5.619 -13.218
64 HG3 ARG 10 HG1 ARG 10 5.321 -5.536 -13.106
65 HD2 ARG 10 HD2 ARG 10 3.596 -7.808 -14.058
66 HD3 ARG 10 HD1 ARG 10 4.995 -7.079 -14.840
67 HE ARG 10 HE ARG 10 5.033 -9.142 -12.795
68 HH11 ARG 10 HH11 ARG 10 6.736 -6.635 -14.467
69 HH12 ARG 10 HH12 ARG 10 8.305 -7.282 -14.123
70 HH21 ARG 10 HH21 ARG 10 7.088 -9.995 -12.340
71 HH22 ARG 10 HH22 ARG 10 8.505 -9.184 -12.918
72 H ARG 11 HN ARG 11 3.415 -4.027 -8.840
73 HA ARG 11 HA ARG 11 3.278 -5.994 -6.691
74 HB2 ARG 11 HB2 ARG 11 5.744 -5.572 -7.301
75 HB3 ARG 11 HB1 ARG 11 5.500 -3.965 -6.629
76 HG2 ARG 11 HG2 ARG 11 6.244 -5.149 -4.758
77 HG3 ARG 11 HG1 ARG 11 4.495 -5.244 -4.582
78 HD2 ARG 11 HD2 ARG 11 4.821 -7.476 -4.407
79 HD3 ARG 11 HD1 ARG 11 5.031 -7.444 -6.153
80 HE ARG 11 HE ARG 11 7.511 -6.839 -5.013
81 HH11 ARG 11 HH11 ARG 11 5.205 -9.414 -5.100
82 HH12 ARG 11 HH12 ARG 11 6.385 -10.665 -4.900
83 HH21 ARG 11 HH21 ARG 11 9.068 -8.471 -4.747
84 HH22 ARG 11 HH22 ARG 11 8.575 -10.130 -4.700
85 H THR 12 HN THR 12 2.459 -5.159 -4.786
86 HA THR 12 HA THR 12 1.963 -2.272 -4.632
87 HB THR 12 HB THR 12 -0.185 -4.398 -4.531
88 HG1 THR 12 HG1 THR 12 0.588 -3.345 -6.552
89 HG21 THR 12 HG21 THR 12 -0.121 -1.551 -3.562
90 HG22 THR 12 HG22 THR 12 -1.628 -2.266 -4.134
91 HG23 THR 12 HG23 THR 12 -0.780 -2.977 -2.760
92 H LYS 13 HN LYS 13 2.060 -5.438 -3.130
93 HA LYS 13 HA LYS 13 1.483 -4.645 -0.473
94 HB2 LYS 13 HB2 LYS 13 3.049 -6.977 -1.584
95 HB3 LYS 13 HB1 LYS 13 2.687 -6.778 0.132
96 HG2 LYS 13 HG2 LYS 13 0.248 -6.636 -0.467
97 HG3 LYS 13 HG1 LYS 13 0.684 -7.038 -2.127
98 HD2 LYS 13 HD2 LYS 13 1.697 -9.151 -1.357
99 HD3 LYS 13 HD1 LYS 13 1.265 -8.752 0.307
100 HE2 LYS 13 HE2 LYS 13 -0.871 -8.768 -1.804
101 HE3 LYS 13 HE1 LYS 13 -0.324 -10.296 -1.113
102 HZ1 LYS 13 HZ1 LYS 13 -2.006 -8.313 0.026
103 HZ2 LYS 13 HZ2 LYS 13 -1.667 -9.881 0.583
104 HZ3 LYS 13 HZ3 LYS 13 -0.657 -8.591 1.021
105 H LYS 14 HN LYS 14 3.920 -3.613 -2.383
106 HA LYS 14 HA LYS 14 6.275 -3.823 -0.926
107 HB2 LYS 14 HB2 LYS 14 5.872 -2.742 -3.228
108 HB3 LYS 14 HB1 LYS 14 5.470 -1.280 -2.327
109 HG2 LYS 14 HG2 LYS 14 7.698 -0.861 -2.377
110 HG3 LYS 14 HG1 LYS 14 7.810 -2.082 -1.110
111 HD2 LYS 14 HD2 LYS 14 8.127 -3.829 -2.837
112 HD3 LYS 14 HD1 LYS 14 8.049 -2.590 -4.090
113 HE2 LYS 14 HE2 LYS 14 10.093 -1.633 -3.452
114 HE3 LYS 14 HE1 LYS 14 10.027 -2.335 -1.836
115 HZ1 LYS 14 HZ1 LYS 14 11.483 -3.341 -3.818
116 HZ2 LYS 14 HZ2 LYS 14 10.859 -4.282 -2.549
117 HZ3 LYS 14 HZ3 LYS 14 10.049 -4.225 -4.038
118 H CYS 15 HN CYS 15 3.854 -1.204 -0.756
119 HA CYS 15 HA CYS 15 4.664 -0.746 2.043
120 HB2 CYS 15 HB2 CYS 15 3.926 1.756 0.979
121 HB3 CYS 15 HB1 CYS 15 5.526 1.250 1.521
122 H MET 16 HN MET 16 2.237 -1.246 -0.229
123 HA MET 16 HA MET 16 0.061 0.228 0.547
124 HB2 MET 16 HB2 MET 16 -0.298 -1.262 -1.230
125 HB3 MET 16 HB1 MET 16 0.311 -2.640 -0.317
126 HG2 MET 16 HG2 MET 16 -2.242 -2.475 -0.617
127 HG3 MET 16 HG1 MET 16 -1.650 -2.772 1.015
128 HE1 MET 16 HE1 MET 16 -4.369 0.407 -0.396
129 HE2 MET 16 HE2 MET 16 -3.272 -0.426 -1.494
130 HE3 MET 16 HE3 MET 16 -4.385 -1.353 -0.478
131 H GLN 17 HN GLN 17 1.141 -2.832 2.055
132 HA GLN 17 HA GLN 17 -0.837 -2.673 4.127
133 HB2 GLN 17 HB2 GLN 17 0.395 -4.757 3.141
134 HB3 GLN 17 HB1 GLN 17 1.638 -4.353 4.318
135 HG2 GLN 17 HG2 GLN 17 0.251 -5.809 5.523
136 HG3 GLN 17 HG1 GLN 17 -0.331 -4.220 6.014
137 HE21 GLN 17 HE21 GLN 17 -1.355 -4.367 2.907
138 HE22 GLN 17 HE22 GLN 17 -2.874 -5.092 3.123
139 H LYS 18 HN LYS 18 2.638 -2.056 3.898
140 HA LYS 18 HA LYS 18 3.071 -1.434 6.616
141 HB2 LYS 18 HB2 LYS 18 4.612 -0.141 4.379
142 HB3 LYS 18 HB1 LYS 18 5.190 -0.678 5.955
143 HG2 LYS 18 HG2 LYS 18 4.360 -2.427 3.623
144 HG3 LYS 18 HG1 LYS 18 5.971 -2.272 4.319
145 HD2 LYS 18 HD2 LYS 18 4.734 -3.013 6.532
146 HD3 LYS 18 HD1 LYS 18 3.569 -3.687 5.406
147 HE2 LYS 18 HE2 LYS 18 6.544 -4.266 5.432
148 HE3 LYS 18 HE1 LYS 18 5.273 -5.362 5.975
149 HZ1 LYS 18 HZ1 LYS 18 6.238 -4.969 3.374
150 HZ2 LYS 18 HZ2 LYS 18 5.036 -6.047 3.902
151 HZ3 LYS 18 HZ3 LYS 18 4.612 -4.480 3.412
152 H CYS 19 HN CYS 19 1.273 0.183 4.287
153 HA CYS 19 HA CYS 19 1.634 2.799 5.602
154 HB2 CYS 19 HB2 CYS 19 1.828 2.570 3.073
155 HB3 CYS 19 HB1 CYS 19 0.094 2.244 3.067
156 H ASN 20 HN ASN 20 -0.886 0.534 4.505
157 HA ASN 20 HA ASN 20 -3.130 1.870 5.448
158 HB2 ASN 20 HB2 ASN 20 -3.030 -0.287 4.091
159 HB3 ASN 20 HB1 ASN 20 -2.780 -1.124 5.622
160 HD21 ASN 20 HD21 ASN 20 -4.644 1.492 6.428
161 HD22 ASN 20 HD22 ASN 20 -6.187 0.800 6.268
162 H ARG 21 HN ARG 21 -0.714 0.033 7.196
163 HA ARG 21 HA ARG 21 -2.043 -0.462 9.588
164 HB2 ARG 21 HB2 ARG 21 0.840 0.155 8.979
165 HB3 ARG 21 HB1 ARG 21 0.292 -0.226 10.611
166 HG2 ARG 21 HG2 ARG 21 -0.710 -2.091 8.568
167 HG3 ARG 21 HG1 ARG 21 1.047 -2.092 8.724
168 HD2 ARG 21 HD2 ARG 21 -0.221 -3.701 10.256
169 HD3 ARG 21 HD1 ARG 21 0.947 -2.639 11.036
170 HE ARG 21 HE ARG 21 -1.770 -1.612 10.954
171 HH11 ARG 21 HH11 ARG 21 0.623 -3.453 12.644
172 HH12 ARG 21 HH12 ARG 21 -0.117 -3.249 14.197
173 HH21 ARG 21 HH21 ARG 21 -2.745 -1.337 12.986
174 HH22 ARG 21 HH22 ARG 21 -2.025 -2.050 14.390
175 H GLU 22 HN GLU 22 -0.955 2.520 8.234
176 HA GLU 22 HA GLU 22 -1.143 3.953 10.770
177 HB2 GLU 22 HB2 GLU 22 0.186 4.371 8.275
178 HB3 GLU 22 HB1 GLU 22 -0.884 5.742 8.579
179 HG2 GLU 22 HG2 GLU 22 0.083 5.986 10.842
180 HG3 GLU 22 HG1 GLU 22 1.165 4.632 10.521
181 H HIS 23 HN HIS 23 -2.608 4.263 7.532
182 HA HIS 23 HA HIS 23 -4.643 6.052 8.298
183 HB2 HIS 23 HB2 HIS 23 -3.878 5.483 5.935
184 HB3 HIS 23 HB1 HIS 23 -4.875 4.034 6.065
185 HD1 HIS 23 HD1 HIS 23 -7.460 4.361 6.202
186 HD2 HIS 23 HD2 HIS 23 -5.334 7.913 5.709
187 HE1 HIS 23 HE1 HIS 23 -9.161 6.134 5.590
188 HE2 HIS 23 HE2 HIS 23 -7.880 8.306 5.285
189 H GLY 24 HN GLY 24 -4.230 2.769 9.012
190 HA2 GLY 24 HA2 GLY 24 -7.058 2.131 9.238
191 HA3 GLY 24 HA1 GLY 24 -5.710 1.083 9.667
192 H HIS 25 HN HIS 25 -4.845 3.837 11.072
193 HA HIS 25 HA HIS 25 -5.794 2.991 13.684
194 HB2 HIS 25 HB2 HIS 25 -3.456 4.121 12.825
195 HB3 HIS 25 HB1 HIS 25 -4.299 5.519 13.492
196 HD1 HIS 25 HD1 HIS 25 -4.718 5.568 16.030
197 HD2 HIS 25 HD2 HIS 25 -2.877 2.058 14.740
198 HE1 HIS 25 HE1 HIS 25 -3.953 4.352 18.116
199 HE2 HIS 25 HE2 HIS 25 -2.828 2.210 17.346
200 HN1 NH2 26 H1 HIS 25 -6.477 5.611 11.399
201 HN2 NH2 26 H2 HIS 25 -7.674 6.352 12.349
Start of MODEL 13
1 H1 SER 1 HN SER 1 2.569 9.572 0.934
2 HA SER 1 HA SER 1 1.389 9.389 -1.199
3 HB2 SER 1 HB2 SER 1 2.813 8.627 -3.163
4 HB3 SER 1 HB1 SER 1 3.083 10.279 -2.616
5 HG SER 1 HG SER 1 5.082 9.625 -2.482
6 H CYS 2 HN CYS 2 0.306 7.666 -0.365
7 HA CYS 2 HA CYS 2 1.503 5.021 -0.836
8 HB2 CYS 2 HB2 CYS 2 1.214 6.134 1.728
9 HB3 CYS 2 HB1 CYS 2 -0.109 4.980 1.561
10 H LYS 3 HN LYS 3 -1.420 6.838 0.063
11 HA LYS 3 HA LYS 3 -3.341 4.897 -0.442
12 HB2 LYS 3 HB2 LYS 3 -3.325 7.887 -0.583
13 HB3 LYS 3 HB1 LYS 3 -4.732 7.008 -1.180
14 HG2 LYS 3 HG2 LYS 3 -5.098 5.966 0.943
15 HG3 LYS 3 HG1 LYS 3 -3.531 6.504 1.550
16 HD2 LYS 3 HD2 LYS 3 -5.414 8.609 0.595
17 HD3 LYS 3 HD1 LYS 3 -5.797 7.817 2.125
18 HE2 LYS 3 HE2 LYS 3 -3.089 9.017 1.493
19 HE3 LYS 3 HE1 LYS 3 -4.358 9.877 2.363
20 HZ1 LYS 3 HZ1 LYS 3 -3.980 8.714 4.210
21 HZ2 LYS 3 HZ2 LYS 3 -3.841 7.238 3.381
22 HZ3 LYS 3 HZ3 LYS 3 -2.503 8.273 3.496
23 H LYS 4 HN LYS 4 -3.485 3.670 -2.210
24 HA LYS 4 HA LYS 4 -3.859 3.113 -4.416
25 HB2 LYS 4 HB2 LYS 4 -5.034 5.482 -4.312
26 HB3 LYS 4 HB1 LYS 4 -3.654 5.960 -5.302
27 HG2 LYS 4 HG2 LYS 4 -5.121 5.271 -6.959
28 HG3 LYS 4 HG1 LYS 4 -4.276 3.756 -6.640
29 HD2 LYS 4 HD2 LYS 4 -6.157 3.433 -4.822
30 HD3 LYS 4 HD1 LYS 4 -7.039 4.588 -5.820
31 HE2 LYS 4 HE2 LYS 4 -7.670 2.634 -6.875
32 HE3 LYS 4 HE1 LYS 4 -6.192 2.977 -7.775
33 HZ1 LYS 4 HZ1 LYS 4 -4.982 1.563 -6.207
34 HZ2 LYS 4 HZ2 LYS 4 -6.440 1.185 -5.421
35 HZ3 LYS 4 HZ3 LYS 4 -6.196 0.703 -7.028
36 H GLU 5 HN GLU 5 -1.489 5.693 -3.869
37 HA GLU 5 HA GLU 5 0.126 5.115 -6.133
38 HB2 GLU 5 HB2 GLU 5 0.914 6.412 -3.512
39 HB3 GLU 5 HB1 GLU 5 1.815 6.499 -5.026
40 HG2 GLU 5 HG2 GLU 5 0.542 8.200 -5.744
41 HG3 GLU 5 HG1 GLU 5 -0.922 7.249 -5.501
42 H CYS 6 HN CYS 6 2.654 5.056 -4.530
43 HA CYS 6 HA CYS 6 4.186 3.505 -3.819
44 HB2 CYS 6 HB2 CYS 6 1.876 3.129 -2.240
45 HB3 CYS 6 HB1 CYS 6 2.428 1.520 -2.701
46 H SER 7 HN SER 7 2.069 3.008 -6.210
47 HA SER 7 HA SER 7 2.429 0.182 -6.681
48 HB2 SER 7 HB2 SER 7 0.860 2.332 -7.801
49 HB3 SER 7 HB1 SER 7 1.665 1.429 -9.082
50 HG SER 7 HG SER 7 -0.410 0.576 -8.361
51 H GLY 8 HN GLY 8 4.450 -0.496 -7.093
52 HA2 GLY 8 HA2 GLY 8 6.205 1.125 -8.802
53 HA3 GLY 8 HA1 GLY 8 6.703 -0.239 -7.805
54 H SER 9 HN SER 9 7.093 -2.094 -8.829
55 HA SER 9 HA SER 9 6.144 -2.386 -11.602
56 HB2 SER 9 HB2 SER 9 8.558 -3.199 -10.133
57 HB3 SER 9 HB1 SER 9 7.898 -4.448 -11.184
58 HG SER 9 HG SER 9 7.762 -2.589 -12.758
59 H ARG 10 HN ARG 10 4.053 -3.143 -11.251
60 HA ARG 10 HA ARG 10 2.405 -4.691 -10.842
61 HB2 ARG 10 HB2 ARG 10 4.754 -6.601 -10.940
62 HB3 ARG 10 HB1 ARG 10 3.055 -7.055 -11.068
63 HG2 ARG 10 HG2 ARG 10 2.819 -6.118 -13.180
64 HG3 ARG 10 HG1 ARG 10 4.130 -4.966 -12.929
65 HD2 ARG 10 HD2 ARG 10 5.793 -6.687 -13.166
66 HD3 ARG 10 HD1 ARG 10 4.568 -7.952 -13.145
67 HE ARG 10 HE ARG 10 3.901 -6.342 -15.285
68 HH11 ARG 10 HH11 ARG 10 6.664 -8.134 -14.223
69 HH12 ARG 10 HH12 ARG 10 7.233 -8.473 -15.824
70 HH21 ARG 10 HH21 ARG 10 4.640 -6.785 -17.388
71 HH22 ARG 10 HH22 ARG 10 6.086 -7.709 -17.616
72 H ARG 11 HN ARG 11 4.010 -3.483 -8.579
73 HA ARG 11 HA ARG 11 3.010 -5.310 -6.502
74 HB2 ARG 11 HB2 ARG 11 5.622 -5.376 -7.018
75 HB3 ARG 11 HB1 ARG 11 5.610 -3.947 -5.987
76 HG2 ARG 11 HG2 ARG 11 5.868 -5.649 -4.412
77 HG3 ARG 11 HG1 ARG 11 4.116 -5.442 -4.421
78 HD2 ARG 11 HD2 ARG 11 4.162 -7.713 -4.733
79 HD3 ARG 11 HD1 ARG 11 4.339 -7.233 -6.417
80 HE ARG 11 HE ARG 11 6.899 -7.379 -5.226
81 HH11 ARG 11 HH11 ARG 11 4.238 -9.356 -6.217
82 HH12 ARG 11 HH12 ARG 11 5.214 -10.748 -6.546
83 HH21 ARG 11 HH21 ARG 11 8.187 -9.201 -5.655
84 HH22 ARG 11 HH22 ARG 11 7.450 -10.659 -6.227
85 H THR 12 HN THR 12 2.179 -4.297 -4.717
86 HA THR 12 HA THR 12 2.585 -1.426 -4.358
87 HB THR 12 HB THR 12 -0.146 -2.639 -4.847
88 HG1 THR 12 HG1 THR 12 1.387 -1.988 -6.619
89 HG21 THR 12 HG21 THR 12 0.768 0.037 -3.806
90 HG22 THR 12 HG22 THR 12 -0.774 -0.133 -4.646
91 HG23 THR 12 HG23 THR 12 -0.476 -1.030 -3.156
92 H LYS 13 HN LYS 13 1.558 -4.540 -3.246
93 HA LYS 13 HA LYS 13 0.678 -3.653 -0.644
94 HB2 LYS 13 HB2 LYS 13 1.386 -6.415 -1.658
95 HB3 LYS 13 HB1 LYS 13 0.599 -6.064 -0.119
96 HG2 LYS 13 HG2 LYS 13 -1.345 -6.268 -1.265
97 HG3 LYS 13 HG1 LYS 13 -0.970 -4.672 -1.915
98 HD2 LYS 13 HD2 LYS 13 0.392 -5.911 -3.712
99 HD3 LYS 13 HD1 LYS 13 -0.445 -7.366 -3.170
100 HE2 LYS 13 HE2 LYS 13 -2.619 -6.037 -3.487
101 HE3 LYS 13 HE1 LYS 13 -1.641 -4.867 -4.372
102 HZ1 LYS 13 HZ1 LYS 13 -1.358 -6.266 -6.091
103 HZ2 LYS 13 HZ2 LYS 13 -1.278 -7.651 -5.112
104 HZ3 LYS 13 HZ3 LYS 13 -2.784 -6.979 -5.506
105 H LYS 14 HN LYS 14 3.625 -3.597 -1.983
106 HA LYS 14 HA LYS 14 5.231 -4.834 0.045
107 HB2 LYS 14 HB2 LYS 14 7.100 -3.905 -1.105
108 HB3 LYS 14 HB1 LYS 14 5.935 -4.354 -2.350
109 HG2 LYS 14 HG2 LYS 14 5.068 -1.939 -2.169
110 HG3 LYS 14 HG1 LYS 14 6.554 -1.599 -1.281
111 HD2 LYS 14 HD2 LYS 14 7.865 -2.505 -3.198
112 HD3 LYS 14 HD1 LYS 14 6.360 -2.718 -4.093
113 HE2 LYS 14 HE2 LYS 14 7.233 -0.616 -4.807
114 HE3 LYS 14 HE1 LYS 14 5.929 -0.231 -3.684
115 HZ1 LYS 14 HZ1 LYS 14 7.740 -0.208 -1.924
116 HZ2 LYS 14 HZ2 LYS 14 8.845 -0.142 -3.214
117 HZ3 LYS 14 HZ3 LYS 14 7.704 1.097 -3.011
118 H CYS 15 HN CYS 15 3.921 -1.624 -0.506
119 HA CYS 15 HA CYS 15 4.990 -0.804 2.129
120 HB2 CYS 15 HB2 CYS 15 4.911 1.564 1.083
121 HB3 CYS 15 HB1 CYS 15 6.254 0.507 0.651
122 H MET 16 HN MET 16 2.378 -0.686 -0.210
123 HA MET 16 HA MET 16 0.652 1.128 0.985
124 HB2 MET 16 HB2 MET 16 0.211 0.095 -1.197
125 HB3 MET 16 HB1 MET 16 -0.059 -1.460 -0.413
126 HG2 MET 16 HG2 MET 16 -2.074 -0.796 0.531
127 HG3 MET 16 HG1 MET 16 -1.636 0.912 0.514
128 HE1 MET 16 HE1 MET 16 -4.561 1.327 -1.542
129 HE2 MET 16 HE2 MET 16 -4.696 -0.330 -0.960
130 HE3 MET 16 HE3 MET 16 -3.985 0.918 0.072
131 H GLN 17 HN GLN 17 1.204 -2.281 1.751
132 HA GLN 17 HA GLN 17 -0.893 -2.660 3.569
133 HB2 GLN 17 HB2 GLN 17 1.846 -3.896 3.331
134 HB3 GLN 17 HB1 GLN 17 0.709 -4.390 4.585
135 HG2 GLN 17 HG2 GLN 17 -0.269 -4.251 1.761
136 HG3 GLN 17 HG1 GLN 17 0.751 -5.612 2.226
137 HE21 GLN 17 HE21 GLN 17 -2.212 -3.866 3.307
138 HE22 GLN 17 HE22 GLN 17 -2.958 -5.245 3.958
139 H LYS 18 HN LYS 18 2.456 -1.592 4.149
140 HA LYS 18 HA LYS 18 2.261 -1.300 6.935
141 HB2 LYS 18 HB2 LYS 18 4.013 -0.052 4.835
142 HB3 LYS 18 HB1 LYS 18 4.127 0.458 6.519
143 HG2 LYS 18 HG2 LYS 18 5.735 -1.353 6.024
144 HG3 LYS 18 HG1 LYS 18 4.535 -1.870 7.209
145 HD2 LYS 18 HD2 LYS 18 3.338 -3.146 5.601
146 HD3 LYS 18 HD1 LYS 18 4.172 -2.373 4.252
147 HE2 LYS 18 HE2 LYS 18 6.215 -3.501 4.741
148 HE3 LYS 18 HE1 LYS 18 5.636 -4.017 6.325
149 HZ1 LYS 18 HZ1 LYS 18 5.492 -5.851 4.831
150 HZ2 LYS 18 HZ2 LYS 18 3.909 -5.322 5.153
151 HZ3 LYS 18 HZ3 LYS 18 4.649 -4.928 3.678
152 H CYS 19 HN CYS 19 1.427 0.886 4.297
153 HA CYS 19 HA CYS 19 0.919 3.155 5.965
154 HB2 CYS 19 HB2 CYS 19 0.028 2.502 3.148
155 HB3 CYS 19 HB1 CYS 19 -0.208 4.063 3.935
156 H ASN 20 HN ASN 20 -1.007 0.485 4.730
157 HA ASN 20 HA ASN 20 -3.559 1.525 5.407
158 HB2 ASN 20 HB2 ASN 20 -2.447 -1.153 4.731
159 HB3 ASN 20 HB1 ASN 20 -4.016 -1.100 5.533
160 HD21 ASN 20 HD21 ASN 20 -5.804 -0.673 4.211
161 HD22 ASN 20 HD22 ASN 20 -5.704 -0.083 2.623
162 H ARG 21 HN ARG 21 -1.206 -0.436 7.176
163 HA ARG 21 HA ARG 21 -2.858 -0.917 9.447
164 HB2 ARG 21 HB2 ARG 21 -0.317 -1.718 8.577
165 HB3 ARG 21 HB1 ARG 21 -0.033 -0.839 10.080
166 HG2 ARG 21 HG2 ARG 21 -2.021 -3.100 9.711
167 HG3 ARG 21 HG1 ARG 21 -0.463 -3.227 10.529
168 HD2 ARG 21 HD2 ARG 21 -1.649 -1.045 11.763
169 HD3 ARG 21 HD1 ARG 21 -2.999 -2.146 11.513
170 HE ARG 21 HE ARG 21 -2.004 -3.654 13.007
171 HH11 ARG 21 HH11 ARG 21 0.085 -1.009 12.219
172 HH12 ARG 21 HH12 ARG 21 1.228 -1.358 13.470
173 HH21 ARG 21 HH21 ARG 21 -0.506 -4.119 14.651
174 HH22 ARG 21 HH22 ARG 21 0.895 -3.120 14.848
175 H GLU 22 HN GLU 22 -0.355 1.503 8.722
176 HA GLU 22 HA GLU 22 -0.413 2.802 11.230
177 HB2 GLU 22 HB2 GLU 22 0.591 3.441 8.507
178 HB3 GLU 22 HB1 GLU 22 0.347 4.799 9.607
179 HG2 GLU 22 HG2 GLU 22 1.824 3.864 11.239
180 HG3 GLU 22 HG1 GLU 22 1.869 2.312 10.405
181 H HIS 23 HN HIS 23 -1.933 3.745 8.142
182 HA HIS 23 HA HIS 23 -3.458 5.857 9.298
183 HB2 HIS 23 HB2 HIS 23 -2.851 5.034 6.724
184 HB3 HIS 23 HB1 HIS 23 -4.580 4.713 6.857
185 HD1 HIS 23 HD1 HIS 23 -2.321 7.565 8.047
186 HD2 HIS 23 HD2 HIS 23 -5.950 6.969 6.084
187 HE1 HIS 23 HE1 HIS 23 -3.254 9.867 7.553
188 HE2 HIS 23 HE2 HIS 23 -5.468 9.520 6.358
189 H GLY 24 HN GLY 24 -3.682 2.761 10.033
190 HA2 GLY 24 HA2 GLY 24 -6.597 2.489 9.853
191 HA3 GLY 24 HA1 GLY 24 -5.467 1.241 10.368
192 H HIS 25 HN HIS 25 -4.387 3.859 11.928
193 HA HIS 25 HA HIS 25 -5.095 3.056 14.487
194 HB2 HIS 25 HB2 HIS 25 -3.484 5.009 13.444
195 HB3 HIS 25 HB1 HIS 25 -4.765 5.963 14.190
196 HD1 HIS 25 HD1 HIS 25 -5.372 3.978 16.556
197 HD2 HIS 25 HD2 HIS 25 -1.573 5.319 15.485
198 HE1 HIS 25 HE1 HIS 25 -3.919 3.728 18.614
199 HE2 HIS 25 HE2 HIS 25 -1.599 4.541 17.977
200 HN1 NH2 26 H1 HIS 25 -7.036 3.153 15.596
201 HN2 NH2 26 H2 HIS 25 -8.317 4.207 15.231
Start of MODEL 14
1 H1 SER 1 HN SER 1 -0.108 10.966 -2.398
2 HA SER 1 HA SER 1 -2.540 9.853 -1.415
3 HB2 SER 1 HB2 SER 1 -2.968 8.112 -2.943
4 HB3 SER 1 HB1 SER 1 -2.690 9.518 -3.967
5 HG SER 1 HG SER 1 -1.514 7.398 -4.370
6 H CYS 2 HN CYS 2 -1.917 7.154 -1.461
7 HA CYS 2 HA CYS 2 0.817 6.927 -0.416
8 HB2 CYS 2 HB2 CYS 2 -0.728 7.454 1.493
9 HB3 CYS 2 HB1 CYS 2 -1.587 5.956 1.140
10 H LYS 3 HN LYS 3 -1.847 5.675 -2.093
11 HA LYS 3 HA LYS 3 -0.954 2.894 -1.933
12 HB2 LYS 3 HB2 LYS 3 -3.304 4.271 -3.223
13 HB3 LYS 3 HB1 LYS 3 -2.910 2.588 -3.572
14 HG2 LYS 3 HG2 LYS 3 -3.038 2.050 -1.171
15 HG3 LYS 3 HG1 LYS 3 -3.420 3.733 -0.811
16 HD2 LYS 3 HD2 LYS 3 -5.520 3.609 -1.907
17 HD3 LYS 3 HD1 LYS 3 -5.092 2.108 -2.729
18 HE2 LYS 3 HE2 LYS 3 -6.636 1.718 -0.818
19 HE3 LYS 3 HE1 LYS 3 -5.087 0.906 -0.596
20 HZ1 LYS 3 HZ1 LYS 3 -6.040 2.255 1.339
21 HZ2 LYS 3 HZ2 LYS 3 -4.399 2.466 0.953
22 HZ3 LYS 3 HZ3 LYS 3 -5.539 3.622 0.463
23 H LYS 4 HN LYS 4 -1.732 5.145 -4.599
24 HA LYS 4 HA LYS 4 -0.127 3.649 -6.467
25 HB2 LYS 4 HB2 LYS 4 -1.433 6.373 -6.710
26 HB3 LYS 4 HB1 LYS 4 -0.711 5.466 -8.040
27 HG2 LYS 4 HG2 LYS 4 -2.711 4.470 -8.326
28 HG3 LYS 4 HG1 LYS 4 -2.439 3.647 -6.790
29 HD2 LYS 4 HD2 LYS 4 -3.457 5.580 -5.602
30 HD3 LYS 4 HD1 LYS 4 -3.793 6.335 -7.160
31 HE2 LYS 4 HE2 LYS 4 -5.641 5.079 -7.443
32 HE3 LYS 4 HE1 LYS 4 -4.744 3.596 -7.130
33 HZ1 LYS 4 HZ1 LYS 4 -5.926 3.499 -5.263
34 HZ2 LYS 4 HZ2 LYS 4 -4.923 4.742 -4.684
35 HZ3 LYS 4 HZ3 LYS 4 -6.426 5.119 -5.373
36 H GLU 5 HN GLU 5 0.327 6.411 -4.392
37 HA GLU 5 HA GLU 5 2.713 7.342 -5.721
38 HB2 GLU 5 HB2 GLU 5 1.360 8.035 -3.116
39 HB3 GLU 5 HB1 GLU 5 2.916 8.728 -3.577
40 HG2 GLU 5 HG2 GLU 5 0.670 8.799 -5.559
41 HG3 GLU 5 HG1 GLU 5 0.657 9.951 -4.225
42 H CYS 6 HN CYS 6 2.486 4.516 -4.643
43 HA CYS 6 HA CYS 6 5.127 4.485 -3.385
44 HB2 CYS 6 HB2 CYS 6 3.117 4.478 -1.665
45 HB3 CYS 6 HB1 CYS 6 3.027 2.776 -2.122
46 H SER 7 HN SER 7 2.391 2.680 -4.714
47 HA SER 7 HA SER 7 3.441 0.156 -4.993
48 HB2 SER 7 HB2 SER 7 1.930 -0.164 -6.829
49 HB3 SER 7 HB1 SER 7 1.145 0.932 -5.695
50 HG SER 7 HG SER 7 2.681 1.767 -7.932
51 H GLY 8 HN GLY 8 4.434 -0.931 -6.828
52 HA2 GLY 8 HA2 GLY 8 6.566 0.718 -7.996
53 HA3 GLY 8 HA1 GLY 8 6.554 -1.041 -7.890
54 H SER 9 HN SER 9 5.016 -2.199 -9.287
55 HA SER 9 HA SER 9 4.113 -0.697 -11.644
56 HB2 SER 9 HB2 SER 9 5.667 -3.259 -11.959
57 HB3 SER 9 HB1 SER 9 5.218 -2.092 -13.200
58 HG SER 9 HG SER 9 7.076 -1.783 -11.077
59 H ARG 10 HN ARG 10 4.313 -3.928 -10.147
60 HA ARG 10 HA ARG 10 1.449 -4.298 -10.777
61 HB2 ARG 10 HB2 ARG 10 3.648 -6.357 -11.065
62 HB3 ARG 10 HB1 ARG 10 1.922 -6.692 -11.215
63 HG2 ARG 10 HG2 ARG 10 1.875 -4.871 -13.013
64 HG3 ARG 10 HG1 ARG 10 3.636 -4.947 -12.990
65 HD2 ARG 10 HD2 ARG 10 3.416 -7.451 -13.370
66 HD3 ARG 10 HD1 ARG 10 1.704 -7.171 -13.674
67 HE ARG 10 HE ARG 10 2.285 -6.354 -15.759
68 HH11 ARG 10 HH11 ARG 10 4.996 -6.259 -13.611
69 HH12 ARG 10 HH12 ARG 10 6.118 -5.744 -14.827
70 HH21 ARG 10 HH21 ARG 10 3.749 -5.680 -17.359
71 HH22 ARG 10 HH22 ARG 10 5.411 -5.417 -16.949
72 H ARG 11 HN ARG 11 3.382 -3.697 -8.367
73 HA ARG 11 HA ARG 11 1.970 -5.514 -6.521
74 HB2 ARG 11 HB2 ARG 11 4.463 -6.100 -7.020
75 HB3 ARG 11 HB1 ARG 11 4.813 -4.716 -5.986
76 HG2 ARG 11 HG2 ARG 11 4.727 -6.390 -4.389
77 HG3 ARG 11 HG1 ARG 11 3.034 -5.903 -4.403
78 HD2 ARG 11 HD2 ARG 11 2.801 -8.192 -4.654
79 HD3 ARG 11 HD1 ARG 11 2.861 -7.690 -6.342
80 HE ARG 11 HE ARG 11 4.892 -8.791 -6.532
81 HH11 ARG 11 HH11 ARG 11 4.116 -8.198 -3.212
82 HH12 ARG 11 HH12 ARG 11 5.448 -9.115 -2.593
83 HH21 ARG 11 HH21 ARG 11 6.641 -9.996 -5.727
84 HH22 ARG 11 HH22 ARG 11 6.878 -10.134 -4.017
85 H THR 12 HN THR 12 1.731 -4.681 -4.366
86 HA THR 12 HA THR 12 2.463 -1.941 -3.809
87 HB THR 12 HB THR 12 -0.474 -2.611 -3.929
88 HG1 THR 12 HG1 THR 12 0.695 -2.553 -6.006
89 HG21 THR 12 HG21 THR 12 1.134 -0.081 -3.527
90 HG22 THR 12 HG22 THR 12 -0.589 -0.073 -3.892
91 HG23 THR 12 HG23 THR 12 -0.005 -0.821 -2.409
92 H LYS 13 HN LYS 13 0.821 -4.901 -2.933
93 HA LYS 13 HA LYS 13 0.054 -4.481 -0.334
94 HB2 LYS 13 HB2 LYS 13 1.513 -6.913 -1.401
95 HB3 LYS 13 HB1 LYS 13 0.544 -6.861 0.073
96 HG2 LYS 13 HG2 LYS 13 -1.467 -6.449 -1.146
97 HG3 LYS 13 HG1 LYS 13 -0.579 -6.106 -2.630
98 HD2 LYS 13 HD2 LYS 13 -0.275 -8.316 -3.120
99 HD3 LYS 13 HD1 LYS 13 -0.073 -8.766 -1.426
100 HE2 LYS 13 HE2 LYS 13 -2.177 -9.672 -2.455
101 HE3 LYS 13 HE1 LYS 13 -2.466 -8.647 -1.049
102 HZ1 LYS 13 HZ1 LYS 13 -2.487 -6.845 -3.012
103 HZ2 LYS 13 HZ2 LYS 13 -3.113 -8.192 -3.837
104 HZ3 LYS 13 HZ3 LYS 13 -3.883 -7.624 -2.436
105 H LYS 14 HN LYS 14 3.286 -4.568 -1.610
106 HA LYS 14 HA LYS 14 4.697 -5.044 0.800
107 HB2 LYS 14 HB2 LYS 14 6.641 -4.200 -0.382
108 HB3 LYS 14 HB1 LYS 14 5.693 -5.204 -1.481
109 HG2 LYS 14 HG2 LYS 14 4.527 -2.910 -2.076
110 HG3 LYS 14 HG1 LYS 14 6.027 -2.225 -1.452
111 HD2 LYS 14 HD2 LYS 14 7.300 -3.718 -3.003
112 HD3 LYS 14 HD1 LYS 14 5.766 -4.255 -3.687
113 HE2 LYS 14 HE2 LYS 14 6.779 -1.396 -3.644
114 HE3 LYS 14 HE1 LYS 14 6.737 -2.453 -5.055
115 HZ1 LYS 14 HZ1 LYS 14 4.615 -1.972 -5.381
116 HZ2 LYS 14 HZ2 LYS 14 4.208 -2.375 -3.782
117 HZ3 LYS 14 HZ3 LYS 14 4.722 -0.803 -4.153
118 H CYS 15 HN CYS 15 3.577 -2.080 -0.781
119 HA CYS 15 HA CYS 15 4.540 -0.503 1.507
120 HB2 CYS 15 HB2 CYS 15 5.114 0.220 -0.824
121 HB3 CYS 15 HB1 CYS 15 3.395 0.499 -1.101
122 H MET 16 HN MET 16 1.717 -1.883 0.185
123 HA MET 16 HA MET 16 -0.191 0.005 1.161
124 HB2 MET 16 HB2 MET 16 -0.301 -2.151 -0.535
125 HB3 MET 16 HB1 MET 16 -1.084 -2.786 0.913
126 HG2 MET 16 HG2 MET 16 -2.426 -0.570 0.923
127 HG3 MET 16 HG1 MET 16 -1.874 -0.393 -0.743
128 HE1 MET 16 HE1 MET 16 -1.830 -3.138 -2.092
129 HE2 MET 16 HE2 MET 16 -3.467 -3.086 -2.740
130 HE3 MET 16 HE3 MET 16 -2.505 -1.606 -2.638
131 H GLN 17 HN GLN 17 1.290 -2.934 2.446
132 HA GLN 17 HA GLN 17 -0.376 -3.219 4.715
133 HB2 GLN 17 HB2 GLN 17 1.836 -4.564 3.602
134 HB3 GLN 17 HB1 GLN 17 2.319 -4.100 5.234
135 HG2 GLN 17 HG2 GLN 17 1.231 -6.257 5.364
136 HG3 GLN 17 HG1 GLN 17 0.152 -5.057 6.075
137 HE21 GLN 17 HE21 GLN 17 -0.246 -4.155 3.047
138 HE22 GLN 17 HE22 GLN 17 -1.441 -5.231 2.515
139 H LYS 18 HN LYS 18 2.506 -1.321 4.083
140 HA LYS 18 HA LYS 18 2.967 -0.559 6.803
141 HB2 LYS 18 HB2 LYS 18 3.820 1.124 4.469
142 HB3 LYS 18 HB1 LYS 18 4.682 0.787 5.971
143 HG2 LYS 18 HG2 LYS 18 4.199 -1.157 3.697
144 HG3 LYS 18 HG1 LYS 18 5.742 -0.453 4.166
145 HD2 LYS 18 HD2 LYS 18 4.996 -1.526 6.529
146 HD3 LYS 18 HD1 LYS 18 4.194 -2.647 5.436
147 HE2 LYS 18 HE2 LYS 18 7.132 -1.897 5.361
148 HE3 LYS 18 HE1 LYS 18 6.475 -3.414 5.973
149 HZ1 LYS 18 HZ1 LYS 18 5.579 -3.886 3.795
150 HZ2 LYS 18 HZ2 LYS 18 6.163 -2.406 3.198
151 HZ3 LYS 18 HZ3 LYS 18 7.252 -3.612 3.684
152 H CYS 19 HN CYS 19 1.316 0.962 4.059
153 HA CYS 19 HA CYS 19 0.604 3.322 5.533
154 HB2 CYS 19 HB2 CYS 19 0.759 2.832 2.911
155 HB3 CYS 19 HB1 CYS 19 -0.956 2.489 3.134
156 H ASN 20 HN ASN 20 -0.666 0.143 5.257
157 HA ASN 20 HA ASN 20 -3.383 0.829 5.974
158 HB2 ASN 20 HB2 ASN 20 -2.936 -1.161 4.624
159 HB3 ASN 20 HB1 ASN 20 -1.956 -1.839 5.924
160 HD21 ASN 20 HD21 ASN 20 -3.607 -3.666 5.848
161 HD22 ASN 20 HD22 ASN 20 -5.061 -3.467 6.701
162 H ARG 21 HN ARG 21 -0.542 -0.520 7.615
163 HA ARG 21 HA ARG 21 -1.845 -0.887 10.128
164 HB2 ARG 21 HB2 ARG 21 0.405 -1.886 9.190
165 HB3 ARG 21 HB1 ARG 21 1.109 -0.440 9.913
166 HG2 ARG 21 HG2 ARG 21 1.192 -1.809 11.759
167 HG3 ARG 21 HG1 ARG 21 -0.449 -1.199 11.966
168 HD2 ARG 21 HD2 ARG 21 -0.567 -3.589 12.171
169 HD3 ARG 21 HD1 ARG 21 -1.252 -3.176 10.603
170 HE ARG 21 HE ARG 21 0.586 -4.197 9.571
171 HH11 ARG 21 HH11 ARG 21 1.014 -3.884 12.991
172 HH12 ARG 21 HH12 ARG 21 2.403 -4.918 13.051
173 HH21 ARG 21 HH21 ARG 21 2.407 -5.553 9.642
174 HH22 ARG 21 HH22 ARG 21 3.192 -5.862 11.155
175 H GLU 22 HN GLU 22 0.297 1.638 8.821
176 HA GLU 22 HA GLU 22 0.379 3.246 11.138
177 HB2 GLU 22 HB2 GLU 22 0.827 3.777 8.215
178 HB3 GLU 22 HB1 GLU 22 0.864 5.096 9.386
179 HG2 GLU 22 HG2 GLU 22 2.646 4.050 10.624
180 HG3 GLU 22 HG1 GLU 22 2.506 2.570 9.677
181 H HIS 23 HN HIS 23 -1.647 3.510 8.219
182 HA HIS 23 HA HIS 23 -3.332 5.505 9.517
183 HB2 HIS 23 HB2 HIS 23 -2.600 5.100 6.901
184 HB3 HIS 23 HB1 HIS 23 -4.230 4.425 6.940
185 HD1 HIS 23 HD1 HIS 23 -2.575 7.540 8.429
186 HD2 HIS 23 HD2 HIS 23 -6.060 6.415 6.436
187 HE1 HIS 23 HE1 HIS 23 -3.962 9.643 8.170
188 HE2 HIS 23 HE2 HIS 23 -6.090 8.974 6.957
189 H GLY 24 HN GLY 24 -3.125 2.488 10.201
190 HA2 GLY 24 HA2 GLY 24 -5.802 1.507 9.674
191 HA3 GLY 24 HA1 GLY 24 -4.562 0.707 10.636
192 H HIS 25 HN HIS 25 -4.580 3.758 11.770
193 HA HIS 25 HA HIS 25 -6.163 3.020 14.099
194 HB2 HIS 25 HB2 HIS 25 -3.945 4.113 14.345
195 HB3 HIS 25 HB1 HIS 25 -4.593 5.549 13.551
196 HD1 HIS 25 HD1 HIS 25 -4.774 3.592 16.748
197 HD2 HIS 25 HD2 HIS 25 -6.416 7.067 15.132
198 HE1 HIS 25 HE1 HIS 25 -5.899 4.811 18.662
199 HE2 HIS 25 HE2 HIS 25 -6.905 6.931 17.693
200 HN1 NH2 26 H1 HIS 25 -8.389 3.248 13.651
201 HN2 NH2 26 H2 HIS 25 -9.092 4.693 13.103
Start of MODEL 15
1 H1 SER 1 HN SER 1 -2.745 9.148 -1.108
2 HA SER 1 HA SER 1 -0.414 9.911 -2.760
3 HB2 SER 1 HB2 SER 1 -0.947 11.006 -0.017
4 HB3 SER 1 HB1 SER 1 -0.058 11.735 -1.352
5 HG SER 1 HG SER 1 -2.819 11.534 -0.907
6 H CYS 2 HN CYS 2 -0.683 7.245 -1.848
7 HA CYS 2 HA CYS 2 1.814 6.979 -0.424
8 HB2 CYS 2 HB2 CYS 2 0.543 7.219 1.546
9 HB3 CYS 2 HB1 CYS 2 -0.806 6.293 0.891
10 H LYS 3 HN LYS 3 -0.992 4.812 -0.555
11 HA LYS 3 HA LYS 3 0.457 2.568 -1.405
12 HB2 LYS 3 HB2 LYS 3 -2.451 2.980 -2.072
13 HB3 LYS 3 HB1 LYS 3 -1.619 1.485 -1.646
14 HG2 LYS 3 HG2 LYS 3 -2.424 1.855 0.445
15 HG3 LYS 3 HG1 LYS 3 -1.145 3.061 0.566
16 HD2 LYS 3 HD2 LYS 3 -3.134 4.227 1.152
17 HD3 LYS 3 HD1 LYS 3 -2.802 4.700 -0.514
18 HE2 LYS 3 HE2 LYS 3 -4.907 4.033 -0.990
19 HE3 LYS 3 HE1 LYS 3 -4.330 2.382 -0.777
20 HZ1 LYS 3 HZ1 LYS 3 -6.147 3.818 0.808
21 HZ2 LYS 3 HZ2 LYS 3 -5.635 2.208 0.984
22 HZ3 LYS 3 HZ3 LYS 3 -4.783 3.457 1.753
23 H LYS 4 HN LYS 4 -2.007 4.187 -3.405
24 HA LYS 4 HA LYS 4 -0.991 3.175 -5.842
25 HB2 LYS 4 HB2 LYS 4 -2.558 4.669 -6.917
26 HB3 LYS 4 HB1 LYS 4 -3.328 3.997 -5.479
27 HG2 LYS 4 HG2 LYS 4 -2.373 6.120 -4.286
28 HG3 LYS 4 HG1 LYS 4 -2.253 6.771 -5.921
29 HD2 LYS 4 HD2 LYS 4 -4.408 7.425 -5.475
30 HD3 LYS 4 HD1 LYS 4 -4.757 5.792 -6.042
31 HE2 LYS 4 HE2 LYS 4 -5.913 6.190 -3.921
32 HE3 LYS 4 HE1 LYS 4 -4.651 4.979 -3.694
33 HZ1 LYS 4 HZ1 LYS 4 -3.520 7.507 -3.309
34 HZ2 LYS 4 HZ2 LYS 4 -4.948 7.437 -2.391
35 HZ3 LYS 4 HZ3 LYS 4 -3.739 6.269 -2.165
36 H GLU 5 HN GLU 5 0.471 5.269 -3.822
37 HA GLU 5 HA GLU 5 1.576 6.995 -5.935
38 HB2 GLU 5 HB2 GLU 5 0.713 7.889 -3.674
39 HB3 GLU 5 HB1 GLU 5 2.191 7.210 -2.997
40 HG2 GLU 5 HG2 GLU 5 2.928 9.342 -3.528
41 HG3 GLU 5 HG1 GLU 5 3.319 8.493 -5.022
42 H CYS 6 HN CYS 6 2.546 4.717 -3.396
43 HA CYS 6 HA CYS 6 5.322 4.797 -4.249
44 HB2 CYS 6 HB2 CYS 6 5.337 4.451 -1.987
45 HB3 CYS 6 HB1 CYS 6 3.800 3.587 -2.002
46 H SER 7 HN SER 7 2.483 2.862 -4.757
47 HA SER 7 HA SER 7 3.358 0.380 -5.430
48 HB2 SER 7 HB2 SER 7 1.026 0.978 -5.657
49 HB3 SER 7 HB1 SER 7 1.398 2.106 -6.958
50 HG SER 7 HG SER 7 2.221 -0.562 -7.189
51 H GLY 8 HN GLY 8 4.126 -0.644 -7.331
52 HA2 GLY 8 HA2 GLY 8 5.802 1.122 -9.007
53 HA3 GLY 8 HA1 GLY 8 6.129 -0.578 -8.680
54 H SER 9 HN SER 9 5.392 -2.081 -10.071
55 HA SER 9 HA SER 9 3.486 -1.209 -12.164
56 HB2 SER 9 HB2 SER 9 5.946 -2.940 -12.373
57 HB3 SER 9 HB1 SER 9 4.689 -2.930 -13.608
58 HG SER 9 HG SER 9 5.071 -0.768 -13.948
59 H ARG 10 HN ARG 10 4.703 -3.930 -10.247
60 HA ARG 10 HA ARG 10 2.050 -5.193 -10.499
61 HB2 ARG 10 HB2 ARG 10 3.458 -7.407 -10.421
62 HB3 ARG 10 HB1 ARG 10 3.213 -6.573 -11.956
63 HG2 ARG 10 HG2 ARG 10 5.389 -5.477 -11.750
64 HG3 ARG 10 HG1 ARG 10 5.630 -6.200 -10.158
65 HD2 ARG 10 HD2 ARG 10 4.971 -8.203 -12.166
66 HD3 ARG 10 HD1 ARG 10 6.412 -7.290 -12.604
67 HE ARG 10 HE ARG 10 6.224 -9.227 -10.524
68 HH11 ARG 10 HH11 ARG 10 7.606 -6.167 -11.363
69 HH12 ARG 10 HH12 ARG 10 8.979 -6.347 -10.323
70 HH21 ARG 10 HH21 ARG 10 8.022 -9.470 -9.159
71 HH22 ARG 10 HH22 ARG 10 9.215 -8.217 -9.076
72 H ARG 11 HN ARG 11 4.022 -3.739 -8.465
73 HA ARG 11 HA ARG 11 3.424 -5.586 -6.229
74 HB2 ARG 11 HB2 ARG 11 5.911 -5.201 -6.958
75 HB3 ARG 11 HB1 ARG 11 5.720 -3.663 -6.116
76 HG2 ARG 11 HG2 ARG 11 6.419 -4.991 -4.356
77 HG3 ARG 11 HG1 ARG 11 4.676 -5.227 -4.235
78 HD2 ARG 11 HD2 ARG 11 5.512 -7.422 -4.176
79 HD3 ARG 11 HD1 ARG 11 5.050 -7.216 -5.863
80 HE ARG 11 HE ARG 11 7.632 -6.470 -5.922
81 HH11 ARG 11 HH11 ARG 11 5.999 -9.140 -4.445
82 HH12 ARG 11 HH12 ARG 11 7.348 -10.218 -4.581
83 HH21 ARG 11 HH21 ARG 11 9.404 -7.878 -6.105
84 HH22 ARG 11 HH22 ARG 11 9.276 -9.503 -5.521
85 H THR 12 HN THR 12 2.375 -4.752 -4.527
86 HA THR 12 HA THR 12 2.362 -1.920 -3.960
87 HB THR 12 HB THR 12 -0.064 -3.289 -5.115
88 HG1 THR 12 HG1 THR 12 1.589 -1.933 -6.290
89 HG21 THR 12 HG21 THR 12 -1.203 -1.076 -4.418
90 HG22 THR 12 HG22 THR 12 -0.963 -2.296 -3.168
91 HG23 THR 12 HG23 THR 12 0.125 -0.911 -3.270
92 H LYS 13 HN LYS 13 1.816 -5.179 -3.193
93 HA LYS 13 HA LYS 13 0.237 -4.860 -0.837
94 HB2 LYS 13 HB2 LYS 13 2.024 -7.050 -1.875
95 HB3 LYS 13 HB1 LYS 13 1.243 -7.165 -0.296
96 HG2 LYS 13 HG2 LYS 13 -0.962 -6.808 -1.370
97 HG3 LYS 13 HG1 LYS 13 -0.172 -6.739 -2.946
98 HD2 LYS 13 HD2 LYS 13 0.751 -9.047 -2.484
99 HD3 LYS 13 HD1 LYS 13 -0.279 -9.103 -1.054
100 HE2 LYS 13 HE2 LYS 13 -1.341 -8.562 -3.839
101 HE3 LYS 13 HE1 LYS 13 -1.282 -10.172 -3.121
102 HZ1 LYS 13 HZ1 LYS 13 -2.874 -9.660 -1.597
103 HZ2 LYS 13 HZ2 LYS 13 -2.505 -8.002 -1.579
104 HZ3 LYS 13 HZ3 LYS 13 -3.385 -8.660 -2.871
105 H LYS 14 HN LYS 14 3.195 -3.661 -1.467
106 HA LYS 14 HA LYS 14 4.400 -4.246 1.135
107 HB2 LYS 14 HB2 LYS 14 5.897 -4.258 -0.768
108 HB3 LYS 14 HB1 LYS 14 5.379 -2.636 -1.231
109 HG2 LYS 14 HG2 LYS 14 6.669 -1.633 0.353
110 HG3 LYS 14 HG1 LYS 14 6.322 -2.875 1.557
111 HD2 LYS 14 HD2 LYS 14 8.000 -4.315 0.733
112 HD3 LYS 14 HD1 LYS 14 8.099 -3.462 -0.808
113 HE2 LYS 14 HE2 LYS 14 8.697 -1.893 1.657
114 HE3 LYS 14 HE1 LYS 14 9.901 -3.074 1.138
115 HZ1 LYS 14 HZ1 LYS 14 8.733 -0.959 -0.590
116 HZ2 LYS 14 HZ2 LYS 14 10.261 -0.882 0.149
117 HZ3 LYS 14 HZ3 LYS 14 9.950 -2.060 -1.031
118 H CYS 15 HN CYS 15 4.199 -1.184 -0.660
119 HA CYS 15 HA CYS 15 4.183 0.438 1.639
120 HB2 CYS 15 HB2 CYS 15 3.274 0.970 -1.195
121 HB3 CYS 15 HB1 CYS 15 3.326 2.214 0.053
122 H MET 16 HN MET 16 1.570 -1.023 -0.220
123 HA MET 16 HA MET 16 -0.589 0.427 0.817
124 HB2 MET 16 HB2 MET 16 -0.756 -1.148 -1.087
125 HB3 MET 16 HB1 MET 16 -0.526 -2.496 0.029
126 HG2 MET 16 HG2 MET 16 -2.684 -2.432 0.689
127 HG3 MET 16 HG1 MET 16 -2.630 -0.687 0.936
128 HE1 MET 16 HE1 MET 16 -5.326 -0.078 -0.607
129 HE2 MET 16 HE2 MET 16 -5.672 -1.753 -1.030
130 HE3 MET 16 HE3 MET 16 -4.915 -1.367 0.521
131 H GLN 17 HN GLN 17 0.705 -2.717 1.910
132 HA GLN 17 HA GLN 17 -0.934 -3.035 4.147
133 HB2 GLN 17 HB2 GLN 17 1.194 -4.416 3.013
134 HB3 GLN 17 HB1 GLN 17 1.783 -3.972 4.615
135 HG2 GLN 17 HG2 GLN 17 0.657 -6.075 4.861
136 HG3 GLN 17 HG1 GLN 17 -0.412 -4.851 5.541
137 HE21 GLN 17 HE21 GLN 17 -2.372 -4.316 4.344
138 HE22 GLN 17 HE22 GLN 17 -2.923 -5.292 3.070
139 H LYS 18 HN LYS 18 2.194 -1.389 3.840
140 HA LYS 18 HA LYS 18 2.541 -0.766 6.564
141 HB2 LYS 18 HB2 LYS 18 3.672 0.145 3.991
142 HB3 LYS 18 HB1 LYS 18 3.764 1.320 5.300
143 HG2 LYS 18 HG2 LYS 18 5.775 -0.055 5.320
144 HG3 LYS 18 HG1 LYS 18 4.811 -0.441 6.745
145 HD2 LYS 18 HD2 LYS 18 3.852 -2.395 5.542
146 HD3 LYS 18 HD1 LYS 18 4.867 -2.015 4.151
147 HE2 LYS 18 HE2 LYS 18 6.288 -3.493 5.170
148 HE3 LYS 18 HE1 LYS 18 6.760 -2.052 6.070
149 HZ1 LYS 18 HZ1 LYS 18 4.607 -2.917 7.437
150 HZ2 LYS 18 HZ2 LYS 18 5.319 -4.382 6.958
151 HZ3 LYS 18 HZ3 LYS 18 6.218 -3.257 7.852
152 H CYS 19 HN CYS 19 0.939 1.018 3.950
153 HA CYS 19 HA CYS 19 0.297 3.280 5.578
154 HB2 CYS 19 HB2 CYS 19 -0.026 2.475 2.829
155 HB3 CYS 19 HB1 CYS 19 -1.540 3.132 3.451
156 H ASN 20 HN ASN 20 -1.220 0.222 4.857
157 HA ASN 20 HA ASN 20 -3.846 0.849 5.725
158 HB2 ASN 20 HB2 ASN 20 -2.916 -1.242 4.440
159 HB3 ASN 20 HB1 ASN 20 -2.683 -1.893 6.061
160 HD21 ASN 20 HD21 ASN 20 -5.298 0.039 4.470
161 HD22 ASN 20 HD22 ASN 20 -6.555 -0.972 5.001
162 H ARG 21 HN ARG 21 -0.988 -0.385 7.411
163 HA ARG 21 HA ARG 21 -2.307 -0.798 9.912
164 HB2 ARG 21 HB2 ARG 21 0.440 -0.931 8.867
165 HB3 ARG 21 HB1 ARG 21 0.331 -0.443 10.559
166 HG2 ARG 21 HG2 ARG 21 -0.872 -2.419 11.153
167 HG3 ARG 21 HG1 ARG 21 -1.158 -2.836 9.462
168 HD2 ARG 21 HD2 ARG 21 1.639 -2.601 10.568
169 HD3 ARG 21 HD1 ARG 21 0.726 -4.101 10.702
170 HE ARG 21 HE ARG 21 0.585 -3.318 8.031
171 HH11 ARG 21 HH11 ARG 21 2.974 -4.182 10.379
172 HH12 ARG 21 HH12 ARG 21 4.074 -4.848 9.218
173 HH21 ARG 21 HH21 ARG 21 2.021 -4.189 6.502
174 HH22 ARG 21 HH22 ARG 21 3.534 -4.852 7.023
175 H GLU 22 HN GLU 22 -0.428 1.853 8.505
176 HA GLU 22 HA GLU 22 -0.364 3.465 10.847
177 HB2 GLU 22 HB2 GLU 22 0.367 3.737 8.023
178 HB3 GLU 22 HB1 GLU 22 -0.216 5.238 8.745
179 HG2 GLU 22 HG2 GLU 22 1.396 5.024 10.571
180 HG3 GLU 22 HG1 GLU 22 1.942 3.474 9.937
181 H HIS 23 HN HIS 23 -2.835 2.720 8.608
182 HA HIS 23 HA HIS 23 -4.353 5.157 8.998
183 HB2 HIS 23 HB2 HIS 23 -4.380 3.026 7.146
184 HB3 HIS 23 HB1 HIS 23 -5.933 2.978 7.983
185 HD1 HIS 23 HD1 HIS 23 -6.289 6.020 8.491
186 HD2 HIS 23 HD2 HIS 23 -5.145 4.389 4.829
187 HE1 HIS 23 HE1 HIS 23 -6.896 7.730 6.724
188 HE2 HIS 23 HE2 HIS 23 -6.205 6.750 4.485
189 H GLY 24 HN GLY 24 -4.300 1.877 10.272
190 HA2 GLY 24 HA2 GLY 24 -6.731 2.283 11.825
191 HA3 GLY 24 HA1 GLY 24 -5.734 0.831 11.798
192 H HIS 25 HN HIS 25 -3.501 3.107 12.159
193 HA HIS 25 HA HIS 25 -3.062 2.579 14.919
194 HB2 HIS 25 HB2 HIS 25 -1.469 3.407 12.909
195 HB3 HIS 25 HB1 HIS 25 -1.770 4.953 13.700
196 HD1 HIS 25 HD1 HIS 25 -1.729 4.394 16.594
197 HD2 HIS 25 HD2 HIS 25 0.850 2.395 13.999
198 HE1 HIS 25 HE1 HIS 25 0.194 3.547 18.007
199 HE2 HIS 25 HE2 HIS 25 1.775 2.325 16.439
200 HN1 NH2 26 H1 HIS 25 -3.915 5.703 13.308
201 HN2 NH2 26 H2 HIS 25 -4.671 6.358 14.679
Start of MODEL 16
1 H1 SER 1 HN SER 1 0.963 11.090 -0.116
2 HA SER 1 HA SER 1 -0.025 9.487 -2.012
3 HB2 SER 1 HB2 SER 1 2.548 10.935 -1.804
4 HB3 SER 1 HB1 SER 1 2.450 9.721 -3.077
5 HG SER 1 HG SER 1 0.302 11.481 -2.706
6 H CYS 2 HN CYS 2 -0.320 7.389 -1.040
7 HA CYS 2 HA CYS 2 1.974 5.622 -1.551
8 HB2 CYS 2 HB2 CYS 2 2.177 4.908 0.571
9 HB3 CYS 2 HB1 CYS 2 1.211 6.311 1.033
10 H LYS 3 HN LYS 3 -1.462 6.150 -1.252
11 HA LYS 3 HA LYS 3 -2.286 3.469 -1.785
12 HB2 LYS 3 HB2 LYS 3 -3.846 5.999 -2.341
13 HB3 LYS 3 HB1 LYS 3 -4.488 4.382 -2.046
14 HG2 LYS 3 HG2 LYS 3 -3.315 4.502 0.233
15 HG3 LYS 3 HG1 LYS 3 -3.115 6.226 -0.084
16 HD2 LYS 3 HD2 LYS 3 -5.747 5.931 -0.686
17 HD3 LYS 3 HD1 LYS 3 -5.571 4.697 0.563
18 HE2 LYS 3 HE2 LYS 3 -4.490 6.418 2.032
19 HE3 LYS 3 HE1 LYS 3 -4.854 7.633 0.805
20 HZ1 LYS 3 HZ1 LYS 3 -7.152 6.087 1.390
21 HZ2 LYS 3 HZ2 LYS 3 -6.518 6.750 2.820
22 HZ3 LYS 3 HZ3 LYS 3 -6.929 7.765 1.524
23 H LYS 4 HN LYS 4 -1.585 2.507 -3.606
24 HA LYS 4 HA LYS 4 -1.366 2.037 -5.844
25 HB2 LYS 4 HB2 LYS 4 -3.159 4.351 -6.507
26 HB3 LYS 4 HB1 LYS 4 -3.043 2.772 -7.286
27 HG2 LYS 4 HG2 LYS 4 -3.787 1.944 -4.852
28 HG3 LYS 4 HG1 LYS 4 -4.499 3.557 -4.803
29 HD2 LYS 4 HD2 LYS 4 -4.969 1.483 -6.967
30 HD3 LYS 4 HD1 LYS 4 -6.113 1.925 -5.697
31 HE2 LYS 4 HE2 LYS 4 -6.900 3.440 -7.188
32 HE3 LYS 4 HE1 LYS 4 -5.465 4.378 -6.774
33 HZ1 LYS 4 HZ1 LYS 4 -5.380 2.289 -8.859
34 HZ2 LYS 4 HZ2 LYS 4 -5.893 3.867 -9.221
35 HZ3 LYS 4 HZ3 LYS 4 -4.327 3.602 -8.626
36 H GLU 5 HN GLU 5 -0.270 4.752 -4.402
37 HA GLU 5 HA GLU 5 0.878 5.935 -6.838
38 HB2 GLU 5 HB2 GLU 5 0.520 6.883 -4.013
39 HB3 GLU 5 HB1 GLU 5 1.744 7.627 -5.044
40 HG2 GLU 5 HG2 GLU 5 -1.048 7.259 -6.089
41 HG3 GLU 5 HG1 GLU 5 -0.692 8.610 -5.014
42 H CYS 6 HN CYS 6 1.893 4.774 -3.622
43 HA CYS 6 HA CYS 6 4.674 4.911 -4.128
44 HB2 CYS 6 HB2 CYS 6 4.129 4.756 -1.863
45 HB3 CYS 6 HB1 CYS 6 2.969 3.456 -2.130
46 H SER 7 HN SER 7 2.258 2.749 -5.212
47 HA SER 7 HA SER 7 3.380 0.289 -5.451
48 HB2 SER 7 HB2 SER 7 1.194 0.850 -6.406
49 HB3 SER 7 HB1 SER 7 1.973 1.809 -7.660
50 HG SER 7 HG SER 7 1.839 -0.080 -8.646
51 H GLY 8 HN GLY 8 4.687 -0.780 -7.026
52 HA2 GLY 8 HA2 GLY 8 6.832 0.952 -8.057
53 HA3 GLY 8 HA1 GLY 8 6.953 -0.783 -7.773
54 H SER 9 HN SER 9 6.560 -2.165 -9.423
55 HA SER 9 HA SER 9 5.666 -0.975 -11.977
56 HB2 SER 9 HB2 SER 9 6.980 -2.660 -13.102
57 HB3 SER 9 HB1 SER 9 8.003 -1.875 -11.903
58 HG SER 9 HG SER 9 8.307 -3.983 -11.514
59 H ARG 10 HN ARG 10 5.116 -3.472 -9.624
60 HA ARG 10 HA ARG 10 2.561 -4.100 -10.823
61 HB2 ARG 10 HB2 ARG 10 3.020 -6.539 -10.979
62 HB3 ARG 10 HB1 ARG 10 3.978 -5.596 -12.121
63 HG2 ARG 10 HG2 ARG 10 5.824 -6.547 -11.253
64 HG3 ARG 10 HG1 ARG 10 5.501 -5.679 -9.753
65 HD2 ARG 10 HD2 ARG 10 4.034 -7.543 -9.017
66 HD3 ARG 10 HD1 ARG 10 4.431 -8.418 -10.492
67 HE ARG 10 HE ARG 10 6.065 -8.215 -8.151
68 HH11 ARG 10 HH11 ARG 10 6.100 -8.385 -11.606
69 HH12 ARG 10 HH12 ARG 10 7.670 -9.109 -11.693
70 HH21 ARG 10 HH21 ARG 10 8.126 -9.166 -8.256
71 HH22 ARG 10 HH22 ARG 10 8.817 -9.551 -9.796
72 H ARG 11 HN ARG 11 4.681 -3.856 -8.241
73 HA ARG 11 HA ARG 11 2.958 -5.438 -6.448
74 HB2 ARG 11 HB2 ARG 11 5.523 -5.718 -6.519
75 HB3 ARG 11 HB1 ARG 11 5.577 -4.167 -5.680
76 HG2 ARG 11 HG2 ARG 11 4.033 -5.116 -3.945
77 HG3 ARG 11 HG1 ARG 11 4.166 -6.683 -4.745
78 HD2 ARG 11 HD2 ARG 11 6.555 -5.115 -3.748
79 HD3 ARG 11 HD1 ARG 11 5.746 -6.357 -2.796
80 HE ARG 11 HE ARG 11 6.595 -7.993 -4.272
81 HH11 ARG 11 HH11 ARG 11 7.340 -4.757 -5.244
82 HH12 ARG 11 HH12 ARG 11 8.540 -5.233 -6.399
83 HH21 ARG 11 HH21 ARG 11 8.168 -8.625 -5.784
84 HH22 ARG 11 HH22 ARG 11 9.008 -7.423 -6.705
85 H THR 12 HN THR 12 2.183 -4.513 -4.497
86 HA THR 12 HA THR 12 2.461 -1.664 -4.045
87 HB THR 12 HB THR 12 -0.239 -2.817 -4.786
88 HG1 THR 12 HG1 THR 12 1.615 -2.062 -6.354
89 HG21 THR 12 HG21 THR 12 0.614 -0.445 -3.315
90 HG22 THR 12 HG22 THR 12 -0.356 -0.039 -4.730
91 HG23 THR 12 HG23 THR 12 -1.002 -1.127 -3.501
92 H LYS 13 HN LYS 13 1.140 -4.790 -3.215
93 HA LYS 13 HA LYS 13 -0.159 -4.347 -0.837
94 HB2 LYS 13 HB2 LYS 13 1.682 -6.575 -1.692
95 HB3 LYS 13 HB1 LYS 13 0.867 -6.595 -0.128
96 HG2 LYS 13 HG2 LYS 13 -1.309 -6.472 -1.194
97 HG3 LYS 13 HG1 LYS 13 -0.565 -6.258 -2.779
98 HD2 LYS 13 HD2 LYS 13 0.405 -8.637 -1.357
99 HD3 LYS 13 HD1 LYS 13 -1.325 -8.684 -1.701
100 HE2 LYS 13 HE2 LYS 13 0.856 -8.129 -3.734
101 HE3 LYS 13 HE1 LYS 13 -0.029 -9.646 -3.568
102 HZ1 LYS 13 HZ1 LYS 13 -2.013 -7.839 -3.727
103 HZ2 LYS 13 HZ2 LYS 13 -0.854 -7.156 -4.763
104 HZ3 LYS 13 HZ3 LYS 13 -1.414 -8.732 -5.042
105 H LYS 14 HN LYS 14 3.092 -3.645 -1.559
106 HA LYS 14 HA LYS 14 4.243 -3.933 1.029
107 HB2 LYS 14 HB2 LYS 14 5.512 -3.715 -1.143
108 HB3 LYS 14 HB1 LYS 14 5.099 -2.000 -1.133
109 HG2 LYS 14 HG2 LYS 14 6.193 -1.743 1.063
110 HG3 LYS 14 HG1 LYS 14 6.607 -3.458 1.059
111 HD2 LYS 14 HD2 LYS 14 8.405 -3.096 -0.249
112 HD3 LYS 14 HD1 LYS 14 7.440 -2.188 -1.415
113 HE2 LYS 14 HE2 LYS 14 8.410 -1.012 1.201
114 HE3 LYS 14 HE1 LYS 14 9.299 -0.860 -0.314
115 HZ1 LYS 14 HZ1 LYS 14 8.043 0.927 -0.658
116 HZ2 LYS 14 HZ2 LYS 14 6.771 -0.149 -0.989
117 HZ3 LYS 14 HZ3 LYS 14 6.939 0.512 0.564
118 H CYS 15 HN CYS 15 3.536 -0.897 -0.712
119 HA CYS 15 HA CYS 15 3.510 0.634 1.709
120 HB2 CYS 15 HB2 CYS 15 2.176 1.852 -0.592
121 HB3 CYS 15 HB1 CYS 15 3.584 2.403 0.315
122 H MET 16 HN MET 16 1.043 -0.753 -0.401
123 HA MET 16 HA MET 16 -1.238 0.482 0.587
124 HB2 MET 16 HB2 MET 16 -0.787 -1.466 -1.235
125 HB3 MET 16 HB1 MET 16 -1.459 -2.427 0.084
126 HG2 MET 16 HG2 MET 16 -3.323 -1.718 -1.244
127 HG3 MET 16 HG1 MET 16 -3.342 -0.718 0.209
128 HE1 MET 16 HE1 MET 16 -4.767 1.294 -2.628
129 HE2 MET 16 HE2 MET 16 -5.010 0.169 -1.295
130 HE3 MET 16 HE3 MET 16 -4.546 1.844 -0.969
131 H GLN 17 HN GLN 17 0.138 -2.627 1.687
132 HA GLN 17 HA GLN 17 -1.595 -2.951 3.883
133 HB2 GLN 17 HB2 GLN 17 -0.085 -4.705 2.828
134 HB3 GLN 17 HB1 GLN 17 1.240 -3.981 3.743
135 HG2 GLN 17 HG2 GLN 17 0.463 -5.703 5.157
136 HG3 GLN 17 HG1 GLN 17 -0.302 -4.253 5.803
137 HE21 GLN 17 HE21 GLN 17 -1.909 -4.659 2.980
138 HE22 GLN 17 HE22 GLN 17 -3.178 -5.662 3.495
139 H LYS 18 HN LYS 18 1.629 -1.487 3.632
140 HA LYS 18 HA LYS 18 2.015 -0.955 6.368
141 HB2 LYS 18 HB2 LYS 18 3.244 -0.178 3.840
142 HB3 LYS 18 HB1 LYS 18 3.274 1.126 5.028
143 HG2 LYS 18 HG2 LYS 18 5.264 -0.185 5.371
144 HG3 LYS 18 HG1 LYS 18 4.167 -0.551 6.703
145 HD2 LYS 18 HD2 LYS 18 3.364 -2.548 5.396
146 HD3 LYS 18 HD1 LYS 18 4.639 -2.223 4.221
147 HE2 LYS 18 HE2 LYS 18 6.069 -3.381 5.516
148 HE3 LYS 18 HE1 LYS 18 5.871 -2.153 6.767
149 HZ1 LYS 18 HZ1 LYS 18 5.238 -4.685 7.141
150 HZ2 LYS 18 HZ2 LYS 18 4.410 -3.416 7.911
151 HZ3 LYS 18 HZ3 LYS 18 3.752 -4.137 6.524
152 H CYS 19 HN CYS 19 0.312 0.817 3.844
153 HA CYS 19 HA CYS 19 -0.111 3.183 5.405
154 HB2 CYS 19 HB2 CYS 19 -1.032 2.131 2.783
155 HB3 CYS 19 HB1 CYS 19 -2.058 3.337 3.561
156 H ASN 20 HN ASN 20 -1.968 0.246 4.752
157 HA ASN 20 HA ASN 20 -4.397 1.028 5.933
158 HB2 ASN 20 HB2 ASN 20 -3.840 -1.077 4.538
159 HB3 ASN 20 HB1 ASN 20 -3.338 -1.785 6.073
160 HD21 ASN 20 HD21 ASN 20 -5.290 -0.622 7.800
161 HD22 ASN 20 HD22 ASN 20 -6.818 -1.220 7.364
162 H ARG 21 HN ARG 21 -1.428 -0.265 7.314
163 HA ARG 21 HA ARG 21 -2.546 -0.630 9.947
164 HB2 ARG 21 HB2 ARG 21 -0.510 -1.836 8.879
165 HB3 ARG 21 HB1 ARG 21 0.394 -0.400 9.360
166 HG2 ARG 21 HG2 ARG 21 -0.328 -0.702 11.689
167 HG3 ARG 21 HG1 ARG 21 -1.276 -2.114 11.222
168 HD2 ARG 21 HD2 ARG 21 0.549 -3.389 11.517
169 HD3 ARG 21 HD1 ARG 21 1.321 -2.530 10.187
170 HE ARG 21 HE ARG 21 1.523 -1.012 12.585
171 HH11 ARG 21 HH11 ARG 21 2.721 -3.836 10.983
172 HH12 ARG 21 HH12 ARG 21 4.259 -3.804 11.777
173 HH21 ARG 21 HH21 ARG 21 3.538 -0.963 13.632
174 HH22 ARG 21 HH22 ARG 21 4.723 -2.176 13.277
175 H GLU 22 HN GLU 22 -0.274 1.693 8.476
176 HA GLU 22 HA GLU 22 0.263 3.315 10.628
177 HB2 GLU 22 HB2 GLU 22 -0.127 3.952 7.710
178 HB3 GLU 22 HB1 GLU 22 0.304 5.206 8.875
179 HG2 GLU 22 HG2 GLU 22 2.351 4.142 9.429
180 HG3 GLU 22 HG1 GLU 22 1.860 2.627 8.672
181 H HIS 23 HN HIS 23 -2.704 3.058 8.798
182 HA HIS 23 HA HIS 23 -3.895 5.441 9.905
183 HB2 HIS 23 HB2 HIS 23 -5.022 3.112 8.342
184 HB3 HIS 23 HB1 HIS 23 -5.995 4.480 8.884
185 HD1 HIS 23 HD1 HIS 23 -2.791 5.849 8.217
186 HD2 HIS 23 HD2 HIS 23 -5.954 4.642 5.787
187 HE1 HIS 23 HE1 HIS 23 -2.452 6.990 5.982
188 HE2 HIS 23 HE2 HIS 23 -4.374 6.264 4.489
189 H GLY 24 HN GLY 24 -3.707 2.062 10.744
190 HA2 GLY 24 HA2 GLY 24 -5.704 2.425 12.883
191 HA3 GLY 24 HA1 GLY 24 -5.115 0.877 12.283
192 H HIS 25 HN HIS 25 -2.780 3.359 12.774
193 HA HIS 25 HA HIS 25 -1.471 1.793 14.825
194 HB2 HIS 25 HB2 HIS 25 -0.389 3.177 12.895
195 HB3 HIS 25 HB1 HIS 25 -0.601 4.543 13.991
196 HD1 HIS 25 HD1 HIS 25 0.945 4.696 16.007
197 HD2 HIS 25 HD2 HIS 25 1.369 1.106 13.931
198 HE1 HIS 25 HE1 HIS 25 2.979 3.541 16.980
199 HE2 HIS 25 HE2 HIS 25 3.251 1.351 15.724
200 HN1 NH2 26 H1 HIS 25 -0.950 2.637 16.992
201 HN2 NH2 26 H2 HIS 25 -1.940 3.812 17.712
Start of MODEL 17
1 H1 SER 1 HN SER 1 -1.148 10.507 -0.245
2 HA SER 1 HA SER 1 1.147 10.120 -0.341
3 HB2 SER 1 HB2 SER 1 0.421 9.860 2.575
4 HB3 SER 1 HB1 SER 1 2.092 9.851 2.017
5 HG SER 1 HG SER 1 1.618 11.875 0.986
6 H CYS 2 HN CYS 2 -0.771 7.656 -0.368
7 HA CYS 2 HA CYS 2 1.361 5.713 -0.514
8 HB2 CYS 2 HB2 CYS 2 -0.664 5.652 1.703
9 HB3 CYS 2 HB1 CYS 2 -0.002 4.149 1.060
10 H LYS 3 HN LYS 3 -1.736 4.511 0.305
11 HA LYS 3 HA LYS 3 -3.097 3.115 -0.949
12 HB2 LYS 3 HB2 LYS 3 -3.197 5.738 -2.449
13 HB3 LYS 3 HB1 LYS 3 -4.361 4.428 -2.636
14 HG2 LYS 3 HG2 LYS 3 -3.820 5.309 0.146
15 HG3 LYS 3 HG1 LYS 3 -4.709 6.443 -0.873
16 HD2 LYS 3 HD2 LYS 3 -6.471 4.919 -1.242
17 HD3 LYS 3 HD1 LYS 3 -5.497 3.536 -0.742
18 HE2 LYS 3 HE2 LYS 3 -7.286 4.534 0.912
19 HE3 LYS 3 HE1 LYS 3 -5.709 4.035 1.527
20 HZ1 LYS 3 HZ1 LYS 3 -5.056 6.453 0.971
21 HZ2 LYS 3 HZ2 LYS 3 -6.728 6.748 1.018
22 HZ3 LYS 3 HZ3 LYS 3 -5.937 6.141 2.389
23 H LYS 4 HN LYS 4 -2.405 4.889 -3.842
24 HA LYS 4 HA LYS 4 -0.959 2.545 -4.930
25 HB2 LYS 4 HB2 LYS 4 -3.402 3.327 -5.751
26 HB3 LYS 4 HB1 LYS 4 -2.413 4.366 -6.774
27 HG2 LYS 4 HG2 LYS 4 -2.521 2.483 -8.117
28 HG3 LYS 4 HG1 LYS 4 -1.074 2.098 -7.187
29 HD2 LYS 4 HD2 LYS 4 -2.468 0.816 -5.580
30 HD3 LYS 4 HD1 LYS 4 -3.893 1.173 -6.554
31 HE2 LYS 4 HE2 LYS 4 -3.367 -0.392 -8.112
32 HE3 LYS 4 HE1 LYS 4 -1.655 0.028 -8.092
33 HZ1 LYS 4 HZ1 LYS 4 -1.592 -1.110 -5.856
34 HZ2 LYS 4 HZ2 LYS 4 -3.124 -1.741 -6.230
35 HZ3 LYS 4 HZ3 LYS 4 -1.791 -2.122 -7.206
36 H GLU 5 HN GLU 5 -0.600 5.681 -3.990
37 HA GLU 5 HA GLU 5 0.899 6.810 -6.126
38 HB2 GLU 5 HB2 GLU 5 0.579 7.422 -3.204
39 HB3 GLU 5 HB1 GLU 5 1.817 8.251 -4.148
40 HG2 GLU 5 HG2 GLU 5 -0.554 9.324 -3.986
41 HG3 GLU 5 HG1 GLU 5 0.244 9.269 -5.556
42 H CYS 6 HN CYS 6 1.566 4.137 -4.378
43 HA CYS 6 HA CYS 6 4.493 4.566 -4.531
44 HB2 CYS 6 HB2 CYS 6 4.734 2.987 -2.676
45 HB3 CYS 6 HB1 CYS 6 3.712 4.344 -2.201
46 H SER 7 HN SER 7 2.464 3.484 -6.493
47 HA SER 7 HA SER 7 2.766 0.682 -6.719
48 HB2 SER 7 HB2 SER 7 1.721 0.890 -8.794
49 HB3 SER 7 HB1 SER 7 1.138 2.316 -7.940
50 HG SER 7 HG SER 7 3.211 3.252 -8.929
51 H GLY 8 HN GLY 8 4.505 -0.482 -7.213
52 HA2 GLY 8 HA2 GLY 8 6.801 0.867 -8.489
53 HA3 GLY 8 HA1 GLY 8 6.893 -0.587 -7.499
54 H SER 9 HN SER 9 7.030 -2.476 -8.525
55 HA SER 9 HA SER 9 6.363 -2.561 -11.404
56 HB2 SER 9 HB2 SER 9 7.897 -4.677 -11.227
57 HB3 SER 9 HB1 SER 9 8.627 -3.075 -11.288
58 HG SER 9 HG SER 9 9.457 -4.377 -9.580
59 H ARG 10 HN ARG 10 4.257 -3.224 -11.402
60 HA ARG 10 HA ARG 10 2.429 -4.593 -11.114
61 HB2 ARG 10 HB2 ARG 10 4.562 -6.738 -10.988
62 HB3 ARG 10 HB1 ARG 10 2.860 -6.974 -11.386
63 HG2 ARG 10 HG2 ARG 10 3.266 -5.248 -13.272
64 HG3 ARG 10 HG1 ARG 10 4.981 -5.555 -12.994
65 HD2 ARG 10 HD2 ARG 10 4.515 -7.151 -14.616
66 HD3 ARG 10 HD1 ARG 10 4.242 -8.082 -13.146
67 HE ARG 10 HE ARG 10 1.800 -6.924 -13.783
68 HH11 ARG 10 HH11 ARG 10 4.106 -9.056 -15.235
69 HH12 ARG 10 HH12 ARG 10 2.928 -9.929 -16.154
70 HH21 ARG 10 HH21 ARG 10 0.247 -8.064 -14.986
71 HH22 ARG 10 HH22 ARG 10 0.742 -9.369 -16.013
72 H ARG 11 HN ARG 11 4.224 -3.738 -8.681
73 HA ARG 11 HA ARG 11 2.808 -5.449 -6.726
74 HB2 ARG 11 HB2 ARG 11 5.362 -5.815 -6.982
75 HB3 ARG 11 HB1 ARG 11 5.511 -4.265 -6.157
76 HG2 ARG 11 HG2 ARG 11 3.836 -5.310 -4.441
77 HG3 ARG 11 HG1 ARG 11 4.357 -6.846 -5.135
78 HD2 ARG 11 HD2 ARG 11 5.978 -4.809 -3.634
79 HD3 ARG 11 HD1 ARG 11 5.879 -6.547 -3.378
80 HE ARG 11 HE ARG 11 6.984 -6.401 -5.839
81 HH11 ARG 11 HH11 ARG 11 7.634 -4.793 -2.845
82 HH12 ARG 11 HH12 ARG 11 9.329 -4.612 -3.151
83 HH21 ARG 11 HH21 ARG 11 9.210 -6.167 -6.247
84 HH22 ARG 11 HH22 ARG 11 10.220 -5.389 -5.076
85 H THR 12 HN THR 12 2.135 -4.432 -4.819
86 HA THR 12 HA THR 12 2.657 -1.674 -4.256
87 HB THR 12 HB THR 12 -0.148 -2.299 -5.188
88 HG1 THR 12 HG1 THR 12 1.321 -2.416 -6.922
89 HG21 THR 12 HG21 THR 12 1.343 0.215 -4.411
90 HG22 THR 12 HG22 THR 12 -0.156 0.258 -5.337
91 HG23 THR 12 HG23 THR 12 -0.142 -0.431 -3.717
92 H LYS 13 HN LYS 13 0.963 -4.650 -3.732
93 HA LYS 13 HA LYS 13 -0.537 -4.030 -1.456
94 HB2 LYS 13 HB2 LYS 13 0.856 -6.576 -2.288
95 HB3 LYS 13 HB1 LYS 13 -0.177 -6.472 -0.861
96 HG2 LYS 13 HG2 LYS 13 -2.090 -6.330 -2.093
97 HG3 LYS 13 HG1 LYS 13 -1.333 -5.334 -3.337
98 HD2 LYS 13 HD2 LYS 13 -0.195 -7.315 -4.251
99 HD3 LYS 13 HD1 LYS 13 -0.921 -8.319 -2.996
100 HE2 LYS 13 HE2 LYS 13 -2.380 -8.645 -4.799
101 HE3 LYS 13 HE1 LYS 13 -3.183 -7.362 -3.893
102 HZ1 LYS 13 HZ1 LYS 13 -1.305 -6.859 -6.132
103 HZ2 LYS 13 HZ2 LYS 13 -2.991 -6.953 -6.325
104 HZ3 LYS 13 HZ3 LYS 13 -2.316 -5.733 -5.359
105 H LYS 14 HN LYS 14 2.854 -4.145 -1.894
106 HA LYS 14 HA LYS 14 3.654 -4.792 0.757
107 HB2 LYS 14 HB2 LYS 14 5.125 -4.808 -1.303
108 HB3 LYS 14 HB1 LYS 14 5.159 -3.048 -1.199
109 HG2 LYS 14 HG2 LYS 14 6.156 -3.137 1.008
110 HG3 LYS 14 HG1 LYS 14 5.976 -4.891 1.065
111 HD2 LYS 14 HD2 LYS 14 7.504 -5.113 -0.861
112 HD3 LYS 14 HD1 LYS 14 7.691 -3.360 -0.914
113 HE2 LYS 14 HE2 LYS 14 9.285 -3.451 0.669
114 HE3 LYS 14 HE1 LYS 14 8.175 -4.269 1.769
115 HZ1 LYS 14 HZ1 LYS 14 8.778 -6.364 0.886
116 HZ2 LYS 14 HZ2 LYS 14 9.651 -5.663 -0.391
117 HZ3 LYS 14 HZ3 LYS 14 10.230 -5.538 1.198
118 H CYS 15 HN CYS 15 3.960 -1.616 -0.832
119 HA CYS 15 HA CYS 15 4.131 -0.182 1.601
120 HB2 CYS 15 HB2 CYS 15 4.827 1.346 0.116
121 HB3 CYS 15 HB1 CYS 15 4.162 0.408 -1.222
122 H MET 16 HN MET 16 1.426 -0.863 -0.585
123 HA MET 16 HA MET 16 -0.529 0.773 0.490
124 HB2 MET 16 HB2 MET 16 -0.652 -0.851 -1.508
125 HB3 MET 16 HB1 MET 16 -1.114 -2.066 -0.319
126 HG2 MET 16 HG2 MET 16 -2.744 -0.003 0.405
127 HG3 MET 16 HG1 MET 16 -2.641 0.253 -1.337
128 HE1 MET 16 HE1 MET 16 -5.327 -0.288 -0.008
129 HE2 MET 16 HE2 MET 16 -5.116 -0.159 -1.751
130 HE3 MET 16 HE3 MET 16 -6.046 -1.499 -1.066
131 H GLN 17 HN GLN 17 -0.041 -2.658 1.353
132 HA GLN 17 HA GLN 17 -1.774 -2.702 3.538
133 HB2 GLN 17 HB2 GLN 17 -0.616 -4.671 2.394
134 HB3 GLN 17 HB1 GLN 17 0.781 -4.299 3.403
135 HG2 GLN 17 HG2 GLN 17 -0.389 -5.883 4.686
136 HG3 GLN 17 HG1 GLN 17 -0.909 -4.347 5.376
137 HE21 GLN 17 HE21 GLN 17 -2.449 -4.134 2.567
138 HE22 GLN 17 HE22 GLN 17 -3.884 -4.976 2.906
139 H LYS 18 HN LYS 18 1.688 -1.928 3.407
140 HA LYS 18 HA LYS 18 2.113 -1.652 6.177
141 HB2 LYS 18 HB2 LYS 18 3.556 -1.071 3.725
142 HB3 LYS 18 HB1 LYS 18 3.793 0.206 4.914
143 HG2 LYS 18 HG2 LYS 18 5.512 -1.435 5.282
144 HG3 LYS 18 HG1 LYS 18 4.363 -1.598 6.605
145 HD2 LYS 18 HD2 LYS 18 3.335 -3.526 5.552
146 HD3 LYS 18 HD1 LYS 18 4.288 -3.287 4.088
147 HE2 LYS 18 HE2 LYS 18 5.609 -3.722 6.766
148 HE3 LYS 18 HE1 LYS 18 5.117 -5.079 5.752
149 HZ1 LYS 18 HZ1 LYS 18 7.481 -4.000 5.531
150 HZ2 LYS 18 HZ2 LYS 18 6.648 -4.575 4.167
151 HZ3 LYS 18 HZ3 LYS 18 6.653 -2.916 4.516
152 H CYS 19 HN CYS 19 1.100 0.701 3.723
153 HA CYS 19 HA CYS 19 1.044 2.910 5.547
154 HB2 CYS 19 HB2 CYS 19 -0.081 2.473 2.779
155 HB3 CYS 19 HB1 CYS 19 -0.306 3.980 3.668
156 H ASN 20 HN ASN 20 -1.284 0.557 4.368
157 HA ASN 20 HA ASN 20 -3.621 1.783 5.398
158 HB2 ASN 20 HB2 ASN 20 -3.169 -0.374 3.821
159 HB3 ASN 20 HB1 ASN 20 -3.537 -1.174 5.347
160 HD21 ASN 20 HD21 ASN 20 -4.833 1.498 3.287
161 HD22 ASN 20 HD22 ASN 20 -6.461 1.142 3.610
162 H ARG 21 HN ARG 21 -1.279 -0.472 6.787
163 HA ARG 21 HA ARG 21 -2.747 -0.949 9.192
164 HB2 ARG 21 HB2 ARG 21 -0.420 -1.963 7.996
165 HB3 ARG 21 HB1 ARG 21 0.113 -1.238 9.513
166 HG2 ARG 21 HG2 ARG 21 -0.502 -3.517 9.994
167 HG3 ARG 21 HG1 ARG 21 -1.765 -2.483 10.664
168 HD2 ARG 21 HD2 ARG 21 -3.272 -3.626 9.452
169 HD3 ARG 21 HD1 ARG 21 -2.520 -2.990 7.992
170 HE ARG 21 HE ARG 21 -1.020 -5.203 8.905
171 HH11 ARG 21 HH11 ARG 21 -4.092 -4.380 7.543
172 HH12 ARG 21 HH12 ARG 21 -4.302 -5.903 6.745
173 HH21 ARG 21 HH21 ARG 21 -1.289 -7.204 7.867
174 HH22 ARG 21 HH22 ARG 21 -2.714 -7.503 6.929
175 H GLU 22 HN GLU 22 0.006 1.160 8.381
176 HA GLU 22 HA GLU 22 0.366 2.271 10.936
177 HB2 GLU 22 HB2 GLU 22 1.019 3.189 8.153
178 HB3 GLU 22 HB1 GLU 22 1.284 4.265 9.525
179 HG2 GLU 22 HG2 GLU 22 2.670 2.533 10.614
180 HG3 GLU 22 HG1 GLU 22 2.415 1.466 9.233
181 H HIS 23 HN HIS 23 -2.186 2.640 8.722
182 HA HIS 23 HA HIS 23 -2.970 5.287 9.654
183 HB2 HIS 23 HB2 HIS 23 -3.879 3.396 7.546
184 HB3 HIS 23 HB1 HIS 23 -5.086 4.495 8.214
185 HD1 HIS 23 HD1 HIS 23 -2.243 4.365 5.892
186 HD2 HIS 23 HD2 HIS 23 -4.296 7.331 7.980
187 HE1 HIS 23 HE1 HIS 23 -1.594 6.568 4.828
188 HE2 HIS 23 HE2 HIS 23 -2.840 8.387 6.088
189 H GLY 24 HN GLY 24 -2.926 2.582 11.242
190 HA2 GLY 24 HA2 GLY 24 -5.705 2.354 12.070
191 HA3 GLY 24 HA1 GLY 24 -4.349 1.410 12.682
192 H HIS 25 HN HIS 25 -4.000 4.839 12.513
193 HA HIS 25 HA HIS 25 -3.681 5.010 15.379
194 HB2 HIS 25 HB2 HIS 25 -2.220 6.536 14.593
195 HB3 HIS 25 HB1 HIS 25 -3.053 6.659 13.043
196 HD1 HIS 25 HD1 HIS 25 -4.605 8.628 12.705
197 HD2 HIS 25 HD2 HIS 25 -3.402 8.226 16.675
198 HE1 HIS 25 HE1 HIS 25 -5.433 10.692 13.917
199 HE2 HIS 25 HE2 HIS 25 -4.707 10.462 16.339
200 HN1 NH2 26 H1 HIS 25 -6.255 5.741 13.095
201 HN2 NH2 26 H2 HIS 25 -7.309 6.437 14.230
Start of MODEL 18
1 H1 SER 1 HN SER 1 0.060 9.355 -2.121
2 HA SER 1 HA SER 1 1.754 9.571 -0.482
3 HB2 SER 1 HB2 SER 1 0.305 8.326 1.730
4 HB3 SER 1 HB1 SER 1 1.190 9.848 1.680
5 HG SER 1 HG SER 1 -1.308 9.705 1.872
6 H CYS 2 HN CYS 2 -0.447 6.813 -0.576
7 HA CYS 2 HA CYS 2 1.753 5.018 -1.108
8 HB2 CYS 2 HB2 CYS 2 1.112 3.498 0.824
9 HB3 CYS 2 HB1 CYS 2 1.974 4.971 1.267
10 H LYS 3 HN LYS 3 -1.648 5.149 -0.043
11 HA LYS 3 HA LYS 3 -2.572 2.778 -1.120
12 HB2 LYS 3 HB2 LYS 3 -4.020 5.437 -1.055
13 HB3 LYS 3 HB1 LYS 3 -4.780 3.855 -1.229
14 HG2 LYS 3 HG2 LYS 3 -3.879 3.174 0.963
15 HG3 LYS 3 HG1 LYS 3 -3.113 4.752 1.141
16 HD2 LYS 3 HD2 LYS 3 -5.720 5.433 0.555
17 HD3 LYS 3 HD1 LYS 3 -5.921 3.983 1.539
18 HE2 LYS 3 HE2 LYS 3 -4.304 6.436 2.295
19 HE3 LYS 3 HE1 LYS 3 -5.862 5.971 2.977
20 HZ1 LYS 3 HZ1 LYS 3 -3.241 4.988 3.582
21 HZ2 LYS 3 HZ2 LYS 3 -4.678 4.861 4.478
22 HZ3 LYS 3 HZ3 LYS 3 -4.341 3.737 3.254
23 H LYS 4 HN LYS 4 -1.257 5.422 -2.776
24 HA LYS 4 HA LYS 4 -2.114 4.265 -5.343
25 HB2 LYS 4 HB2 LYS 4 -2.390 6.580 -6.255
26 HB3 LYS 4 HB1 LYS 4 -3.594 6.152 -5.039
27 HG2 LYS 4 HG2 LYS 4 -1.376 7.242 -3.641
28 HG3 LYS 4 HG1 LYS 4 -1.703 8.319 -5.000
29 HD2 LYS 4 HD2 LYS 4 -4.074 8.444 -4.347
30 HD3 LYS 4 HD1 LYS 4 -3.764 7.355 -2.994
31 HE2 LYS 4 HE2 LYS 4 -1.854 9.489 -2.897
32 HE3 LYS 4 HE1 LYS 4 -3.466 10.186 -3.057
33 HZ1 LYS 4 HZ1 LYS 4 -4.127 9.362 -1.074
34 HZ2 LYS 4 HZ2 LYS 4 -3.149 7.976 -1.180
35 HZ3 LYS 4 HZ3 LYS 4 -2.466 9.463 -0.734
36 H GLU 5 HN GLU 5 0.292 5.498 -3.328
37 HA GLU 5 HA GLU 5 2.148 5.949 -5.578
38 HB2 GLU 5 HB2 GLU 5 2.353 6.711 -2.657
39 HB3 GLU 5 HB1 GLU 5 3.609 7.001 -3.861
40 HG2 GLU 5 HG2 GLU 5 1.806 8.231 -5.213
41 HG3 GLU 5 HG1 GLU 5 0.833 8.186 -3.744
42 H CYS 6 HN CYS 6 4.541 5.479 -4.366
43 HA CYS 6 HA CYS 6 6.045 3.793 -3.957
44 HB2 CYS 6 HB2 CYS 6 4.840 3.811 -1.763
45 HB3 CYS 6 HB1 CYS 6 3.776 2.551 -2.386
46 H SER 7 HN SER 7 3.475 3.455 -5.890
47 HA SER 7 HA SER 7 3.270 0.666 -6.344
48 HB2 SER 7 HB2 SER 7 2.209 3.070 -7.481
49 HB3 SER 7 HB1 SER 7 2.817 2.049 -8.781
50 HG SER 7 HG SER 7 1.542 0.378 -8.020
51 H GLY 8 HN GLY 8 4.862 -0.634 -6.992
52 HA2 GLY 8 HA2 GLY 8 7.001 0.467 -8.701
53 HA3 GLY 8 HA1 GLY 8 7.146 -0.961 -7.681
54 H SER 9 HN SER 9 7.282 -2.756 -8.840
55 HA SER 9 HA SER 9 6.532 -2.942 -11.574
56 HB2 SER 9 HB2 SER 9 7.388 -4.943 -9.499
57 HB3 SER 9 HB1 SER 9 6.865 -5.465 -11.097
58 HG SER 9 HG SER 9 8.446 -3.617 -11.706
59 H ARG 10 HN ARG 10 4.282 -2.082 -11.148
60 HA ARG 10 HA ARG 10 2.008 -2.405 -11.059
61 HB2 ARG 10 HB2 ARG 10 2.727 -5.278 -11.681
62 HB3 ARG 10 HB1 ARG 10 1.185 -4.481 -11.993
63 HG2 ARG 10 HG2 ARG 10 1.964 -3.823 -13.997
64 HG3 ARG 10 HG1 ARG 10 3.190 -2.860 -13.173
65 HD2 ARG 10 HD2 ARG 10 4.647 -4.871 -13.046
66 HD3 ARG 10 HD1 ARG 10 3.437 -5.780 -13.948
67 HE ARG 10 HE ARG 10 5.352 -3.972 -15.049
68 HH11 ARG 10 HH11 ARG 10 2.087 -5.090 -15.311
69 HH12 ARG 10 HH12 ARG 10 1.958 -4.742 -17.003
70 HH21 ARG 10 HH21 ARG 10 5.190 -3.515 -17.268
71 HH22 ARG 10 HH22 ARG 10 3.715 -3.851 -18.110
72 H ARG 11 HN ARG 11 3.984 -3.426 -8.753
73 HA ARG 11 HA ARG 11 1.952 -4.906 -7.217
74 HB2 ARG 11 HB2 ARG 11 4.329 -5.796 -7.468
75 HB3 ARG 11 HB1 ARG 11 4.833 -4.458 -6.436
76 HG2 ARG 11 HG2 ARG 11 3.175 -5.238 -4.719
77 HG3 ARG 11 HG1 ARG 11 2.855 -6.645 -5.731
78 HD2 ARG 11 HD2 ARG 11 5.628 -5.913 -4.779
79 HD3 ARG 11 HD1 ARG 11 4.563 -6.983 -3.874
80 HE ARG 11 HE ARG 11 4.762 -7.870 -6.564
81 HH11 ARG 11 HH11 ARG 11 6.538 -7.617 -3.605
82 HH12 ARG 11 HH12 ARG 11 7.532 -8.999 -3.922
83 HH21 ARG 11 HH21 ARG 11 6.062 -9.684 -6.987
84 HH22 ARG 11 HH22 ARG 11 7.263 -10.169 -5.838
85 H THR 12 HN THR 12 1.399 -4.251 -5.104
86 HA THR 12 HA THR 12 2.330 -1.668 -4.133
87 HB THR 12 HB THR 12 -0.606 -2.111 -4.710
88 HG1 THR 12 HG1 THR 12 1.063 -1.672 -6.481
89 HG21 THR 12 HG21 THR 12 0.794 -0.349 -2.968
90 HG22 THR 12 HG22 THR 12 0.188 0.613 -4.316
91 HG23 THR 12 HG23 THR 12 -0.926 -0.354 -3.352
92 H LYS 13 HN LYS 13 0.460 -4.595 -3.756
93 HA LYS 13 HA LYS 13 -0.636 -4.442 -1.273
94 HB2 LYS 13 HB2 LYS 13 1.005 -6.747 -2.357
95 HB3 LYS 13 HB1 LYS 13 -0.121 -6.850 -1.003
96 HG2 LYS 13 HG2 LYS 13 -1.909 -5.957 -2.582
97 HG3 LYS 13 HG1 LYS 13 -0.759 -6.222 -3.893
98 HD2 LYS 13 HD2 LYS 13 -0.643 -8.591 -3.395
99 HD3 LYS 13 HD1 LYS 13 -1.628 -8.377 -1.947
100 HE2 LYS 13 HE2 LYS 13 -3.099 -9.195 -3.659
101 HE3 LYS 13 HE1 LYS 13 -3.462 -7.480 -3.459
102 HZ1 LYS 13 HZ1 LYS 13 -3.118 -7.322 -5.634
103 HZ2 LYS 13 HZ2 LYS 13 -1.463 -7.523 -5.306
104 HZ3 LYS 13 HZ3 LYS 13 -2.410 -8.864 -5.733
105 H LYS 14 HN LYS 14 2.732 -4.306 -2.063
106 HA LYS 14 HA LYS 14 3.797 -5.012 0.479
107 HB2 LYS 14 HB2 LYS 14 4.941 -4.644 -1.907
108 HB3 LYS 14 HB1 LYS 14 5.209 -3.034 -1.246
109 HG2 LYS 14 HG2 LYS 14 7.128 -4.315 -0.623
110 HG3 LYS 14 HG1 LYS 14 6.148 -4.168 0.833
111 HD2 LYS 14 HD2 LYS 14 6.044 -6.404 0.992
112 HD3 LYS 14 HD1 LYS 14 5.263 -6.493 -0.584
113 HE2 LYS 14 HE2 LYS 14 8.253 -6.407 -0.078
114 HE3 LYS 14 HE1 LYS 14 7.329 -7.813 -0.608
115 HZ1 LYS 14 HZ1 LYS 14 7.466 -7.122 -2.691
116 HZ2 LYS 14 HZ2 LYS 14 6.782 -5.619 -2.293
117 HZ3 LYS 14 HZ3 LYS 14 8.461 -5.838 -2.193
118 H CYS 15 HN CYS 15 3.669 -1.793 -1.040
119 HA CYS 15 HA CYS 15 4.040 -0.422 1.434
120 HB2 CYS 15 HB2 CYS 15 2.787 0.963 -0.887
121 HB3 CYS 15 HB1 CYS 15 4.098 1.493 0.167
122 H MET 16 HN MET 16 1.219 -1.041 -0.634
123 HA MET 16 HA MET 16 -0.717 0.443 0.636
124 HB2 MET 16 HB2 MET 16 -0.735 -1.457 -1.324
125 HB3 MET 16 HB1 MET 16 -1.572 -2.299 -0.021
126 HG2 MET 16 HG2 MET 16 -2.950 -0.129 0.243
127 HG3 MET 16 HG1 MET 16 -2.322 0.305 -1.347
128 HE1 MET 16 HE1 MET 16 -4.651 0.146 -2.905
129 HE2 MET 16 HE2 MET 16 -5.949 -0.666 -2.034
130 HE3 MET 16 HE3 MET 16 -4.935 0.524 -1.208
131 H GLN 17 HN GLN 17 0.231 -2.900 1.442
132 HA GLN 17 HA GLN 17 -1.446 -3.145 3.695
133 HB2 GLN 17 HB2 GLN 17 1.145 -4.536 2.986
134 HB3 GLN 17 HB1 GLN 17 0.114 -5.001 4.340
135 HG2 GLN 17 HG2 GLN 17 -1.112 -4.712 1.621
136 HG3 GLN 17 HG1 GLN 17 -0.181 -6.164 1.985
137 HE21 GLN 17 HE21 GLN 17 -3.237 -4.611 2.442
138 HE22 GLN 17 HE22 GLN 17 -3.893 -5.748 3.517
139 H LYS 18 HN LYS 18 1.991 -2.255 3.429
140 HA LYS 18 HA LYS 18 2.448 -1.883 6.187
141 HB2 LYS 18 HB2 LYS 18 3.839 -1.276 3.679
142 HB3 LYS 18 HB1 LYS 18 4.149 -0.097 4.951
143 HG2 LYS 18 HG2 LYS 18 5.796 -1.903 5.082
144 HG3 LYS 18 HG1 LYS 18 4.748 -1.953 6.498
145 HD2 LYS 18 HD2 LYS 18 3.606 -3.856 5.743
146 HD3 LYS 18 HD1 LYS 18 4.051 -3.575 4.061
147 HE2 LYS 18 HE2 LYS 18 6.387 -4.137 4.560
148 HE3 LYS 18 HE1 LYS 18 5.983 -4.366 6.261
149 HZ1 LYS 18 HZ1 LYS 18 4.978 -5.946 3.959
150 HZ2 LYS 18 HZ2 LYS 18 6.015 -6.483 5.194
151 HZ3 LYS 18 HZ3 LYS 18 4.401 -6.106 5.549
152 H CYS 19 HN CYS 19 0.793 0.038 3.850
153 HA CYS 19 HA CYS 19 0.945 2.460 5.480
154 HB2 CYS 19 HB2 CYS 19 0.916 2.244 2.837
155 HB3 CYS 19 HB1 CYS 19 -0.830 2.236 3.088
156 H ASN 20 HN ASN 20 -1.467 0.112 4.358
157 HA ASN 20 HA ASN 20 -3.726 1.270 5.552
158 HB2 ASN 20 HB2 ASN 20 -3.011 -1.544 4.767
159 HB3 ASN 20 HB1 ASN 20 -4.543 -1.185 5.561
160 HD21 ASN 20 HD21 ASN 20 -5.527 1.040 4.442
161 HD22 ASN 20 HD22 ASN 20 -5.611 0.934 2.750
162 H ARG 21 HN ARG 21 -1.106 -0.602 6.884
163 HA ARG 21 HA ARG 21 -2.358 -1.452 9.279
164 HB2 ARG 21 HB2 ARG 21 0.242 -1.578 8.107
165 HB3 ARG 21 HB1 ARG 21 0.407 -0.961 9.751
166 HG2 ARG 21 HG2 ARG 21 0.497 -3.401 9.794
167 HG3 ARG 21 HG1 ARG 21 -0.994 -2.859 10.566
168 HD2 ARG 21 HD2 ARG 21 -2.215 -4.022 9.081
169 HD3 ARG 21 HD1 ARG 21 -1.467 -3.143 7.750
170 HE ARG 21 HE ARG 21 0.417 -5.001 8.421
171 HH11 ARG 21 HH11 ARG 21 -2.964 -5.095 7.696
172 HH12 ARG 21 HH12 ARG 21 -2.915 -6.684 7.010
173 HH21 ARG 21 HH21 ARG 21 0.491 -7.087 7.525
174 HH22 ARG 21 HH22 ARG 21 -0.958 -7.812 6.914
175 H GLU 22 HN GLU 22 -1.119 1.604 8.233
176 HA GLU 22 HA GLU 22 -0.875 2.690 10.916
177 HB2 GLU 22 HB2 GLU 22 -0.533 3.809 8.144
178 HB3 GLU 22 HB1 GLU 22 -0.568 4.864 9.556
179 HG2 GLU 22 HG2 GLU 22 1.335 3.773 10.526
180 HG3 GLU 22 HG1 GLU 22 1.270 2.471 9.340
181 H HIS 23 HN HIS 23 -3.477 1.662 9.662
182 HA HIS 23 HA HIS 23 -5.245 3.774 9.177
183 HB2 HIS 23 HB2 HIS 23 -7.001 2.124 10.030
184 HB3 HIS 23 HB1 HIS 23 -5.997 1.576 8.687
185 HD1 HIS 23 HD1 HIS 23 -5.258 1.632 12.432
186 HD2 HIS 23 HD2 HIS 23 -5.473 -1.076 9.269
187 HE1 HIS 23 HE1 HIS 23 -4.526 -0.611 13.355
188 HE2 HIS 23 HE2 HIS 23 -4.652 -2.272 11.439
189 H GLY 24 HN GLY 24 -3.577 3.023 12.003
190 HA2 GLY 24 HA2 GLY 24 -5.600 4.197 13.780
191 HA3 GLY 24 HA1 GLY 24 -4.115 3.396 14.286
192 H HIS 25 HN HIS 25 -3.853 5.634 11.689
193 HA HIS 25 HA HIS 25 -1.938 7.245 12.922
194 HB2 HIS 25 HB2 HIS 25 -1.917 7.520 10.639
195 HB3 HIS 25 HB1 HIS 25 -3.676 7.512 10.513
196 HD1 HIS 25 HD1 HIS 25 -0.866 9.764 11.748
197 HD2 HIS 25 HD2 HIS 25 -4.818 10.044 10.450
198 HE1 HIS 25 HE1 HIS 25 -1.395 12.236 11.591
199 HE2 HIS 25 HE2 HIS 25 -3.801 12.423 10.802
200 HN1 NH2 26 H1 HIS 25 -5.337 7.231 13.477
201 HN2 NH2 26 H2 HIS 25 -5.427 8.716 14.294
Start of MODEL 19
1 H1 SER 1 HN SER 1 -1.332 10.383 -1.088
2 HA SER 1 HA SER 1 1.308 10.649 -1.825
3 HB2 SER 1 HB2 SER 1 1.089 9.985 0.999
4 HB3 SER 1 HB1 SER 1 1.541 11.507 0.237
5 HG SER 1 HG SER 1 -0.367 12.149 0.823
6 H CYS 2 HN CYS 2 -0.336 7.800 -0.654
7 HA CYS 2 HA CYS 2 2.075 6.223 -1.219
8 HB2 CYS 2 HB2 CYS 2 2.460 5.777 0.941
9 HB3 CYS 2 HB1 CYS 2 1.061 6.741 1.417
10 H LYS 3 HN LYS 3 -1.391 6.338 -0.564
11 HA LYS 3 HA LYS 3 -1.930 3.639 -1.323
12 HB2 LYS 3 HB2 LYS 3 -3.942 5.864 -1.524
13 HB3 LYS 3 HB1 LYS 3 -4.192 4.180 -1.063
14 HG2 LYS 3 HG2 LYS 3 -2.755 4.636 0.979
15 HG3 LYS 3 HG1 LYS 3 -2.829 6.346 0.555
16 HD2 LYS 3 HD2 LYS 3 -4.713 6.356 1.829
17 HD3 LYS 3 HD1 LYS 3 -5.472 5.643 0.405
18 HE2 LYS 3 HE2 LYS 3 -6.031 4.221 2.255
19 HE3 LYS 3 HE1 LYS 3 -4.799 3.371 1.323
20 HZ1 LYS 3 HZ1 LYS 3 -4.694 3.957 3.989
21 HZ2 LYS 3 HZ2 LYS 3 -3.392 3.452 3.022
22 HZ3 LYS 3 HZ3 LYS 3 -3.660 5.105 3.283
23 H LYS 4 HN LYS 4 -2.010 2.778 -3.292
24 HA LYS 4 HA LYS 4 -1.929 2.600 -5.585
25 HB2 LYS 4 HB2 LYS 4 -3.865 4.919 -5.431
26 HB3 LYS 4 HB1 LYS 4 -3.669 3.805 -6.785
27 HG2 LYS 4 HG2 LYS 4 -4.173 1.943 -5.051
28 HG3 LYS 4 HG1 LYS 4 -4.797 3.252 -4.046
29 HD2 LYS 4 HD2 LYS 4 -6.190 3.940 -6.092
30 HD3 LYS 4 HD1 LYS 4 -5.771 2.364 -6.764
31 HE2 LYS 4 HE2 LYS 4 -7.872 2.088 -5.635
32 HE3 LYS 4 HE1 LYS 4 -6.646 1.336 -4.613
33 HZ1 LYS 4 HZ1 LYS 4 -6.639 3.158 -3.166
34 HZ2 LYS 4 HZ2 LYS 4 -7.489 4.150 -4.253
35 HZ3 LYS 4 HZ3 LYS 4 -8.284 2.867 -3.480
36 H GLU 5 HN GLU 5 -0.255 4.753 -4.095
37 HA GLU 5 HA GLU 5 0.562 6.226 -6.530
38 HB2 GLU 5 HB2 GLU 5 0.542 7.174 -3.659
39 HB3 GLU 5 HB1 GLU 5 1.308 8.044 -4.988
40 HG2 GLU 5 HG2 GLU 5 -1.515 7.193 -5.395
41 HG3 GLU 5 HG1 GLU 5 -1.239 8.501 -4.246
42 H CYS 6 HN CYS 6 1.410 3.869 -4.381
43 HA CYS 6 HA CYS 6 4.301 4.456 -4.610
44 HB2 CYS 6 HB2 CYS 6 3.268 4.198 -2.295
45 HB3 CYS 6 HB1 CYS 6 3.036 2.497 -2.699
46 H SER 7 HN SER 7 1.775 2.418 -5.648
47 HA SER 7 HA SER 7 2.816 -0.076 -5.990
48 HB2 SER 7 HB2 SER 7 0.600 1.023 -6.889
49 HB3 SER 7 HB1 SER 7 1.536 1.221 -8.367
50 HG SER 7 HG SER 7 2.000 -1.212 -7.476
51 H GLY 8 HN GLY 8 4.416 -1.028 -7.115
52 HA2 GLY 8 HA2 GLY 8 6.287 0.694 -8.546
53 HA3 GLY 8 HA1 GLY 8 6.557 -0.983 -8.080
54 H SER 9 HN SER 9 6.193 -2.576 -9.532
55 HA SER 9 HA SER 9 5.049 -1.790 -12.149
56 HB2 SER 9 HB2 SER 9 7.398 -3.483 -11.416
57 HB3 SER 9 HB1 SER 9 6.490 -3.880 -12.872
58 HG SER 9 HG SER 9 6.931 -1.213 -12.646
59 H ARG 10 HN ARG 10 4.633 -3.703 -9.414
60 HA ARG 10 HA ARG 10 2.282 -4.931 -10.392
61 HB2 ARG 10 HB2 ARG 10 3.121 -7.318 -10.267
62 HB3 ARG 10 HB1 ARG 10 3.677 -6.398 -11.665
63 HG2 ARG 10 HG2 ARG 10 5.836 -6.093 -10.756
64 HG3 ARG 10 HG1 ARG 10 5.303 -6.509 -9.127
65 HD2 ARG 10 HD2 ARG 10 6.578 -8.363 -10.142
66 HD3 ARG 10 HD1 ARG 10 4.907 -8.830 -9.836
67 HE ARG 10 HE ARG 10 5.120 -7.818 -12.469
68 HH11 ARG 10 HH11 ARG 10 6.063 -10.496 -10.491
69 HH12 ARG 10 HH12 ARG 10 6.100 -11.628 -11.801
70 HH21 ARG 10 HH21 ARG 10 5.166 -9.297 -14.192
71 HH22 ARG 10 HH22 ARG 10 5.593 -10.950 -13.896
72 H ARG 11 HN ARG 11 4.436 -4.069 -8.022
73 HA ARG 11 HA ARG 11 3.100 -5.696 -5.951
74 HB2 ARG 11 HB2 ARG 11 5.698 -5.574 -6.239
75 HB3 ARG 11 HB1 ARG 11 5.531 -4.009 -5.440
76 HG2 ARG 11 HG2 ARG 11 5.730 -5.308 -3.554
77 HG3 ARG 11 HG1 ARG 11 3.992 -5.493 -3.796
78 HD2 ARG 11 HD2 ARG 11 4.735 -7.712 -3.559
79 HD3 ARG 11 HD1 ARG 11 4.633 -7.504 -5.305
80 HE ARG 11 HE ARG 11 6.956 -7.663 -5.414
81 HH11 ARG 11 HH11 ARG 11 5.865 -7.198 -2.164
82 HH12 ARG 11 HH12 ARG 11 7.416 -7.496 -1.453
83 HH21 ARG 11 HH21 ARG 11 8.994 -8.052 -4.491
84 HH22 ARG 11 HH22 ARG 11 9.188 -7.979 -2.772
85 H THR 12 HN THR 12 2.105 -4.720 -4.209
86 HA THR 12 HA THR 12 1.994 -1.779 -4.154
87 HB THR 12 HB THR 12 -0.368 -3.652 -4.332
88 HG1 THR 12 HG1 THR 12 0.666 -2.689 -6.228
89 HG21 THR 12 HG21 THR 12 -1.550 -1.280 -4.058
90 HG22 THR 12 HG22 THR 12 -1.161 -2.279 -2.656
91 HG23 THR 12 HG23 THR 12 -0.102 -0.943 -3.108
92 H LYS 13 HN LYS 13 1.714 -4.861 -2.570
93 HA LYS 13 HA LYS 13 0.892 -3.859 -0.015
94 HB2 LYS 13 HB2 LYS 13 2.108 -6.452 -0.950
95 HB3 LYS 13 HB1 LYS 13 1.762 -6.142 0.752
96 HG2 LYS 13 HG2 LYS 13 -0.611 -5.625 0.121
97 HG3 LYS 13 HG1 LYS 13 -0.236 -6.112 -1.534
98 HD2 LYS 13 HD2 LYS 13 0.079 -7.878 0.910
99 HD3 LYS 13 HD1 LYS 13 -1.269 -7.959 -0.223
100 HE2 LYS 13 HE2 LYS 13 0.679 -8.194 -2.011
101 HE3 LYS 13 HE1 LYS 13 1.589 -8.768 -0.612
102 HZ1 LYS 13 HZ1 LYS 13 0.610 -10.668 -1.489
103 HZ2 LYS 13 HZ2 LYS 13 -0.416 -10.252 -0.199
104 HZ3 LYS 13 HZ3 LYS 13 -0.871 -9.893 -1.793
105 H LYS 14 HN LYS 14 3.566 -3.145 -1.630
106 HA LYS 14 HA LYS 14 5.613 -3.619 0.333
107 HB2 LYS 14 HB2 LYS 14 6.103 -3.344 -2.090
108 HB3 LYS 14 HB1 LYS 14 5.605 -1.656 -1.971
109 HG2 LYS 14 HG2 LYS 14 7.367 -1.196 -0.359
110 HG3 LYS 14 HG1 LYS 14 7.816 -2.901 -0.312
111 HD2 LYS 14 HD2 LYS 14 8.450 -2.825 -2.681
112 HD3 LYS 14 HD1 LYS 14 7.950 -1.135 -2.775
113 HE2 LYS 14 HE2 LYS 14 10.430 -1.449 -2.462
114 HE3 LYS 14 HE1 LYS 14 9.668 -0.469 -1.208
115 HZ1 LYS 14 HZ1 LYS 14 10.090 -3.390 -0.937
116 HZ2 LYS 14 HZ2 LYS 14 11.226 -2.243 -0.406
117 HZ3 LYS 14 HZ3 LYS 14 9.675 -2.279 0.280
118 H CYS 15 HN CYS 15 3.787 -0.744 -0.721
119 HA CYS 15 HA CYS 15 4.667 0.647 1.730
120 HB2 CYS 15 HB2 CYS 15 3.221 2.132 -0.386
121 HB3 CYS 15 HB1 CYS 15 4.611 2.615 0.586
122 H MET 16 HN MET 16 1.878 -0.460 -0.078
123 HA MET 16 HA MET 16 -0.148 0.949 1.262
124 HB2 MET 16 HB2 MET 16 -0.323 -0.543 -0.820
125 HB3 MET 16 HB1 MET 16 -0.440 -1.894 0.308
126 HG2 MET 16 HG2 MET 16 -2.684 -1.377 0.097
127 HG3 MET 16 HG1 MET 16 -2.265 -0.321 1.446
128 HE1 MET 16 HE1 MET 16 -4.846 1.633 -0.586
129 HE2 MET 16 HE2 MET 16 -4.667 0.037 -1.310
130 HE3 MET 16 HE3 MET 16 -4.608 0.226 0.448
131 H GLN 17 HN GLN 17 1.510 -2.072 2.066
132 HA GLN 17 HA GLN 17 -0.098 -2.926 4.181
133 HB2 GLN 17 HB2 GLN 17 2.771 -3.296 3.435
134 HB3 GLN 17 HB1 GLN 17 2.257 -3.798 5.046
135 HG2 GLN 17 HG2 GLN 17 0.592 -4.599 2.689
136 HG3 GLN 17 HG1 GLN 17 2.090 -5.474 3.004
137 HE21 GLN 17 HE21 GLN 17 -1.212 -5.196 3.925
138 HE22 GLN 17 HE22 GLN 17 -1.145 -6.198 5.293
139 H LYS 18 HN LYS 18 2.715 -0.773 4.239
140 HA LYS 18 HA LYS 18 2.675 -0.295 7.035
141 HB2 LYS 18 HB2 LYS 18 3.702 1.836 5.227
142 HB3 LYS 18 HB1 LYS 18 4.447 1.108 6.649
143 HG2 LYS 18 HG2 LYS 18 4.243 -0.110 3.878
144 HG3 LYS 18 HG1 LYS 18 5.711 0.417 4.700
145 HD2 LYS 18 HD2 LYS 18 4.672 -1.320 6.542
146 HD3 LYS 18 HD1 LYS 18 4.164 -2.080 5.034
147 HE2 LYS 18 HE2 LYS 18 6.956 -1.416 5.951
148 HE3 LYS 18 HE1 LYS 18 6.305 -2.980 5.462
149 HZ1 LYS 18 HZ1 LYS 18 5.922 -1.191 3.357
150 HZ2 LYS 18 HZ2 LYS 18 7.536 -1.035 3.867
151 HZ3 LYS 18 HZ3 LYS 18 6.938 -2.553 3.404
152 H CYS 19 HN CYS 19 1.121 1.275 4.299
153 HA CYS 19 HA CYS 19 0.129 3.501 5.801
154 HB2 CYS 19 HB2 CYS 19 -0.671 2.330 3.129
155 HB3 CYS 19 HB1 CYS 19 -1.363 3.807 3.799
156 H ASN 20 HN ASN 20 -1.073 0.307 4.935
157 HA ASN 20 HA ASN 20 -3.760 0.649 5.700
158 HB2 ASN 20 HB2 ASN 20 -2.452 -1.364 4.539
159 HB3 ASN 20 HB1 ASN 20 -2.435 -1.974 6.194
160 HD21 ASN 20 HD21 ASN 20 -4.944 -1.041 7.125
161 HD22 ASN 20 HD22 ASN 20 -6.177 -1.791 6.229
162 H ARG 21 HN ARG 21 -0.925 -0.432 7.556
163 HA ARG 21 HA ARG 21 -2.364 -0.862 9.974
164 HB2 ARG 21 HB2 ARG 21 -0.024 -1.744 9.273
165 HB3 ARG 21 HB1 ARG 21 0.566 -0.188 9.855
166 HG2 ARG 21 HG2 ARG 21 0.647 -1.196 11.887
167 HG3 ARG 21 HG1 ARG 21 -1.102 -0.965 11.907
168 HD2 ARG 21 HD2 ARG 21 0.467 -3.433 11.192
169 HD3 ARG 21 HD1 ARG 21 -0.846 -3.261 12.350
170 HE ARG 21 HE ARG 21 -2.044 -2.667 9.984
171 HH11 ARG 21 HH11 ARG 21 -0.024 -5.245 11.100
172 HH12 ARG 21 HH12 ARG 21 -0.729 -6.435 10.056
173 HH21 ARG 21 HH21 ARG 21 -2.969 -4.219 8.607
174 HH22 ARG 21 HH22 ARG 21 -2.395 -5.854 8.644
175 H GLU 22 HN GLU 22 -0.380 1.820 8.745
176 HA GLU 22 HA GLU 22 -0.554 3.459 11.031
177 HB2 GLU 22 HB2 GLU 22 0.004 3.970 8.124
178 HB3 GLU 22 HB1 GLU 22 -0.171 5.321 9.246
179 HG2 GLU 22 HG2 GLU 22 1.671 4.623 10.556
180 HG3 GLU 22 HG1 GLU 22 1.663 3.004 9.857
181 H HIS 23 HN HIS 23 -2.518 3.344 8.077
182 HA HIS 23 HA HIS 23 -4.393 5.292 9.182
183 HB2 HIS 23 HB2 HIS 23 -3.573 4.951 6.660
184 HB3 HIS 23 HB1 HIS 23 -4.959 3.860 6.634
185 HD1 HIS 23 HD1 HIS 23 -6.647 5.599 8.734
186 HD2 HIS 23 HD2 HIS 23 -4.900 7.012 5.222
187 HE1 HIS 23 HE1 HIS 23 -7.921 7.692 8.093
188 HE2 HIS 23 HE2 HIS 23 -6.867 8.565 5.953
189 H GLY 24 HN GLY 24 -3.953 2.383 10.122
190 HA2 GLY 24 HA2 GLY 24 -6.827 1.682 10.187
191 HA3 GLY 24 HA1 GLY 24 -5.603 0.451 9.886
192 H HIS 25 HN HIS 25 -4.293 2.696 11.943
193 HA HIS 25 HA HIS 25 -4.035 0.986 14.127
194 HB2 HIS 25 HB2 HIS 25 -2.679 3.053 13.703
195 HB3 HIS 25 HB1 HIS 25 -4.057 4.009 14.248
196 HD1 HIS 25 HD1 HIS 25 -4.942 3.318 16.765
197 HD2 HIS 25 HD2 HIS 25 -1.043 2.224 15.775
198 HE1 HIS 25 HE1 HIS 25 -3.759 2.831 18.950
199 HE2 HIS 25 HE2 HIS 25 -1.380 2.163 18.363
200 HN1 NH2 26 H1 HIS 25 -5.318 0.596 15.971
201 HN2 NH2 26 H2 HIS 25 -6.836 1.310 16.228
Start of MODEL 20
1 H1 SER 1 HN SER 1 -0.616 9.783 1.272
2 HA SER 1 HA SER 1 0.987 8.919 -0.963
3 HB2 SER 1 HB2 SER 1 3.023 8.532 0.567
4 HB3 SER 1 HB1 SER 1 2.751 10.168 -0.027
5 HG SER 1 HG SER 1 1.379 9.663 2.263
6 H CYS 2 HN CYS 2 -0.832 7.383 -0.694
7 HA CYS 2 HA CYS 2 0.047 5.087 0.848
8 HB2 CYS 2 HB2 CYS 2 -1.399 6.500 2.398
9 HB3 CYS 2 HB1 CYS 2 -2.747 6.130 1.323
10 H LYS 3 HN LYS 3 -1.788 6.589 -1.625
11 HA LYS 3 HA LYS 3 -3.015 4.066 -2.479
12 HB2 LYS 3 HB2 LYS 3 -3.244 6.843 -3.663
13 HB3 LYS 3 HB1 LYS 3 -4.191 5.432 -4.133
14 HG2 LYS 3 HG2 LYS 3 -5.653 5.839 -2.475
15 HG3 LYS 3 HG1 LYS 3 -4.354 5.729 -1.286
16 HD2 LYS 3 HD2 LYS 3 -5.413 7.927 -1.129
17 HD3 LYS 3 HD1 LYS 3 -3.771 8.107 -1.749
18 HE2 LYS 3 HE2 LYS 3 -5.515 7.659 -3.972
19 HE3 LYS 3 HE1 LYS 3 -6.213 8.936 -2.975
20 HZ1 LYS 3 HZ1 LYS 3 -3.824 8.955 -4.578
21 HZ2 LYS 3 HZ2 LYS 3 -4.763 10.253 -4.012
22 HZ3 LYS 3 HZ3 LYS 3 -3.585 9.561 -3.008
23 H LYS 4 HN LYS 4 -1.423 6.686 -4.298
24 HA LYS 4 HA LYS 4 -0.175 4.652 -6.015
25 HB2 LYS 4 HB2 LYS 4 -1.536 6.690 -6.879
26 HB3 LYS 4 HB1 LYS 4 -0.081 7.615 -6.507
27 HG2 LYS 4 HG2 LYS 4 1.247 6.074 -7.922
28 HG3 LYS 4 HG1 LYS 4 -0.225 5.190 -8.323
29 HD2 LYS 4 HD2 LYS 4 -0.589 8.035 -8.759
30 HD3 LYS 4 HD1 LYS 4 0.801 7.435 -9.665
31 HE2 LYS 4 HE2 LYS 4 -1.341 7.244 -10.941
32 HE3 LYS 4 HE1 LYS 4 -0.558 5.686 -10.679
33 HZ1 LYS 4 HZ1 LYS 4 -2.697 6.784 -8.940
34 HZ2 LYS 4 HZ2 LYS 4 -2.973 5.689 -10.209
35 HZ3 LYS 4 HZ3 LYS 4 -2.028 5.223 -8.880
36 H GLU 5 HN GLU 5 1.016 4.609 -3.634
37 HA GLU 5 HA GLU 5 3.309 6.415 -3.642
38 HB2 GLU 5 HB2 GLU 5 3.796 4.749 -1.568
39 HB3 GLU 5 HB1 GLU 5 2.748 6.157 -1.449
40 HG2 GLU 5 HG2 GLU 5 1.700 4.079 -0.538
41 HG3 GLU 5 HG1 GLU 5 0.780 4.812 -1.846
42 H CYS 6 HN CYS 6 3.787 3.176 -2.522
43 HA CYS 6 HA CYS 6 6.085 2.807 -4.152
44 HB2 CYS 6 HB2 CYS 6 4.519 1.003 -2.316
45 HB3 CYS 6 HB1 CYS 6 5.895 0.407 -3.244
46 H SER 7 HN SER 7 3.046 2.896 -5.168
47 HA SER 7 HA SER 7 2.405 0.583 -6.517
48 HB2 SER 7 HB2 SER 7 1.360 2.118 -8.240
49 HB3 SER 7 HB1 SER 7 0.881 2.421 -6.573
50 HG SER 7 HG SER 7 3.031 3.831 -6.919
51 H GLY 8 HN GLY 8 3.837 -0.640 -7.600
52 HA2 GLY 8 HA2 GLY 8 5.813 0.645 -9.351
53 HA3 GLY 8 HA1 GLY 8 5.815 -1.043 -8.849
54 H SER 9 HN SER 9 5.264 -2.458 -10.361
55 HA SER 9 HA SER 9 3.509 -1.569 -12.573
56 HB2 SER 9 HB2 SER 9 6.002 -3.225 -12.556
57 HB3 SER 9 HB1 SER 9 4.774 -3.531 -13.781
58 HG SER 9 HG SER 9 6.524 -1.853 -14.143
59 H ARG 10 HN ARG 10 4.098 -3.871 -10.081
60 HA ARG 10 HA ARG 10 1.548 -5.152 -10.610
61 HB2 ARG 10 HB2 ARG 10 2.589 -7.452 -10.536
62 HB3 ARG 10 HB1 ARG 10 2.902 -6.544 -12.015
63 HG2 ARG 10 HG2 ARG 10 5.118 -5.991 -11.327
64 HG3 ARG 10 HG1 ARG 10 4.811 -6.515 -9.671
65 HD2 ARG 10 HD2 ARG 10 5.238 -8.681 -10.163
66 HD3 ARG 10 HD1 ARG 10 4.296 -8.615 -11.649
67 HE ARG 10 HE ARG 10 7.134 -8.375 -11.440
68 HH11 ARG 10 HH11 ARG 10 4.340 -7.215 -13.121
69 HH12 ARG 10 HH12 ARG 10 5.203 -6.833 -14.574
70 HH21 ARG 10 HH21 ARG 10 8.271 -7.879 -13.343
71 HH22 ARG 10 HH22 ARG 10 7.428 -7.209 -14.700
72 H ARG 11 HN ARG 11 3.947 -4.051 -8.579
73 HA ARG 11 HA ARG 11 2.929 -5.618 -6.284
74 HB2 ARG 11 HB2 ARG 11 5.379 -5.798 -6.747
75 HB3 ARG 11 HB1 ARG 11 5.516 -4.061 -6.467
76 HG2 ARG 11 HG2 ARG 11 4.778 -4.289 -4.188
77 HG3 ARG 11 HG1 ARG 11 4.336 -5.978 -4.440
78 HD2 ARG 11 HD2 ARG 11 7.142 -4.845 -4.600
79 HD3 ARG 11 HD1 ARG 11 6.496 -5.797 -3.267
80 HE ARG 11 HE ARG 11 7.445 -6.808 -5.785
81 HH11 ARG 11 HH11 ARG 11 5.196 -7.268 -3.195
82 HH12 ARG 11 HH12 ARG 11 5.072 -8.980 -3.423
83 HH21 ARG 11 HH21 ARG 11 7.288 -9.054 -6.089
84 HH22 ARG 11 HH22 ARG 11 6.256 -9.992 -5.061
85 H THR 12 HN THR 12 2.595 -4.481 -4.285
86 HA THR 12 HA THR 12 2.615 -1.613 -4.191
87 HB THR 12 HB THR 12 -0.072 -2.997 -4.371
88 HG1 THR 12 HG1 THR 12 1.408 -1.329 -6.099
89 HG21 THR 12 HG21 THR 12 0.811 -0.216 -3.652
90 HG22 THR 12 HG22 THR 12 -0.757 -0.477 -4.414
91 HG23 THR 12 HG23 THR 12 -0.392 -1.237 -2.864
92 H LYS 13 HN LYS 13 1.753 -4.717 -2.874
93 HA LYS 13 HA LYS 13 0.978 -3.823 -0.276
94 HB2 LYS 13 HB2 LYS 13 2.038 -6.505 -1.193
95 HB3 LYS 13 HB1 LYS 13 1.275 -6.188 0.366
96 HG2 LYS 13 HG2 LYS 13 -0.832 -5.955 -0.551
97 HG3 LYS 13 HG1 LYS 13 -0.209 -5.366 -2.093
98 HD2 LYS 13 HD2 LYS 13 -1.150 -7.635 -2.330
99 HD3 LYS 13 HD1 LYS 13 0.585 -7.633 -2.647
100 HE2 LYS 13 HE2 LYS 13 -0.357 -8.143 0.150
101 HE3 LYS 13 HE1 LYS 13 -0.484 -9.444 -1.034
102 HZ1 LYS 13 HZ1 LYS 13 1.927 -8.068 -0.047
103 HZ2 LYS 13 HZ2 LYS 13 1.617 -9.735 -0.161
104 HZ3 LYS 13 HZ3 LYS 13 1.939 -8.835 -1.563
105 H LYS 14 HN LYS 14 3.818 -3.412 -1.756
106 HA LYS 14 HA LYS 14 5.731 -4.336 0.130
107 HB2 LYS 14 HB2 LYS 14 6.218 -3.648 -2.239
108 HB3 LYS 14 HB1 LYS 14 6.006 -1.971 -1.733
109 HG2 LYS 14 HG2 LYS 14 7.803 -2.223 -0.078
110 HG3 LYS 14 HG1 LYS 14 7.997 -3.917 -0.530
111 HD2 LYS 14 HD2 LYS 14 8.615 -3.255 -2.815
112 HD3 LYS 14 HD1 LYS 14 8.388 -1.557 -2.394
113 HE2 LYS 14 HE2 LYS 14 10.331 -1.453 -1.180
114 HE3 LYS 14 HE1 LYS 14 10.203 -3.126 -0.638
115 HZ1 LYS 14 HZ1 LYS 14 11.359 -3.863 -2.382
116 HZ2 LYS 14 HZ2 LYS 14 10.581 -2.825 -3.479
117 HZ3 LYS 14 HZ3 LYS 14 11.880 -2.255 -2.552
118 H CYS 15 HN CYS 15 4.151 -1.183 -0.343
119 HA CYS 15 HA CYS 15 4.990 -0.442 2.399
120 HB2 CYS 15 HB2 CYS 15 4.404 1.615 0.299
121 HB3 CYS 15 HB1 CYS 15 5.419 1.742 1.736
122 H MET 16 HN MET 16 2.432 -0.800 0.124
123 HA MET 16 HA MET 16 0.506 0.919 1.290
124 HB2 MET 16 HB2 MET 16 0.216 -0.019 -0.953
125 HB3 MET 16 HB1 MET 16 0.117 -1.644 -0.276
126 HG2 MET 16 HG2 MET 16 -1.983 -1.288 0.638
127 HG3 MET 16 HG1 MET 16 -1.746 0.454 0.769
128 HE1 MET 16 HE1 MET 16 -4.603 -1.093 -1.023
129 HE2 MET 16 HE2 MET 16 -4.095 -0.010 0.271
130 HE3 MET 16 HE3 MET 16 -4.667 0.651 -1.266
131 H GLN 17 HN GLN 17 1.453 -2.417 1.941
132 HA GLN 17 HA GLN 17 -0.637 -3.202 3.614
133 HB2 GLN 17 HB2 GLN 17 2.075 -4.081 3.051
134 HB3 GLN 17 HB1 GLN 17 1.651 -4.321 4.744
135 HG2 GLN 17 HG2 GLN 17 -0.143 -5.175 2.462
136 HG3 GLN 17 HG1 GLN 17 1.047 -6.246 3.201
137 HE21 GLN 17 HE21 GLN 17 -2.075 -4.704 3.667
138 HE22 GLN 17 HE22 GLN 17 -2.432 -5.454 5.147
139 H LYS 18 HN LYS 18 2.513 -1.842 4.616
140 HA LYS 18 HA LYS 18 1.926 -1.577 7.333
141 HB2 LYS 18 HB2 LYS 18 3.715 0.151 5.605
142 HB3 LYS 18 HB1 LYS 18 3.732 0.115 7.368
143 HG2 LYS 18 HG2 LYS 18 5.200 -1.590 7.237
144 HG3 LYS 18 HG1 LYS 18 3.894 -2.578 6.583
145 HD2 LYS 18 HD2 LYS 18 4.455 -1.808 4.302
146 HD3 LYS 18 HD1 LYS 18 5.777 -0.843 4.960
147 HE2 LYS 18 HE2 LYS 18 6.545 -3.050 4.076
148 HE3 LYS 18 HE1 LYS 18 6.881 -2.851 5.796
149 HZ1 LYS 18 HZ1 LYS 18 4.306 -4.014 5.116
150 HZ2 LYS 18 HZ2 LYS 18 5.665 -4.980 4.791
151 HZ3 LYS 18 HZ3 LYS 18 5.386 -4.414 6.366
152 H CYS 19 HN CYS 19 1.258 0.590 4.624
153 HA CYS 19 HA CYS 19 0.265 2.726 6.271
154 HB2 CYS 19 HB2 CYS 19 1.195 3.124 4.015
155 HB3 CYS 19 HB1 CYS 19 -0.139 2.209 3.315
156 H ASN 20 HN ASN 20 -1.081 -0.108 4.745
157 HA ASN 20 HA ASN 20 -3.829 0.720 4.992
158 HB2 ASN 20 HB2 ASN 20 -3.168 -0.896 3.280
159 HB3 ASN 20 HB1 ASN 20 -2.613 -2.012 4.526
160 HD21 ASN 20 HD21 ASN 20 -5.486 -0.131 5.204
161 HD22 ASN 20 HD22 ASN 20 -6.596 -1.399 5.004
162 H ARG 21 HN ARG 21 -1.529 -1.094 6.917
163 HA ARG 21 HA ARG 21 -3.479 -2.057 8.805
164 HB2 ARG 21 HB2 ARG 21 -0.534 -2.183 8.490
165 HB3 ARG 21 HB1 ARG 21 -1.157 -2.319 10.133
166 HG2 ARG 21 HG2 ARG 21 -2.568 -4.183 9.516
167 HG3 ARG 21 HG1 ARG 21 -2.174 -3.974 7.810
168 HD2 ARG 21 HD2 ARG 21 -0.817 -5.784 8.614
169 HD3 ARG 21 HD1 ARG 21 0.246 -4.397 8.416
170 HE ARG 21 HE ARG 21 -0.577 -5.613 10.941
171 HH11 ARG 21 HH11 ARG 21 0.908 -2.967 9.264
172 HH12 ARG 21 HH12 ARG 21 1.780 -2.404 10.650
173 HH21 ARG 21 HH21 ARG 21 0.559 -4.873 12.756
174 HH22 ARG 21 HH22 ARG 21 1.583 -3.481 12.626
175 H GLU 22 HN GLU 22 -1.037 0.528 8.775
176 HA GLU 22 HA GLU 22 -1.866 1.491 11.386
177 HB2 GLU 22 HB2 GLU 22 0.118 2.534 9.355
178 HB3 GLU 22 HB1 GLU 22 -0.187 3.298 10.915
179 HG2 GLU 22 HG2 GLU 22 0.818 1.599 12.103
180 HG3 GLU 22 HG1 GLU 22 0.395 0.372 10.910
181 H HIS 23 HN HIS 23 -3.560 1.518 8.779
182 HA HIS 23 HA HIS 23 -4.030 4.221 8.086
183 HB2 HIS 23 HB2 HIS 23 -4.771 2.133 6.821
184 HB3 HIS 23 HB1 HIS 23 -6.085 2.011 7.991
185 HD1 HIS 23 HD1 HIS 23 -5.000 5.436 7.080
186 HD2 HIS 23 HD2 HIS 23 -7.913 2.722 5.842
187 HE1 HIS 23 HE1 HIS 23 -6.647 6.746 5.670
188 HE2 HIS 23 HE2 HIS 23 -8.429 5.105 4.908
189 H GLY 24 HN GLY 24 -4.357 2.864 11.022
190 HA2 GLY 24 HA2 GLY 24 -6.932 3.925 11.804
191 HA3 GLY 24 HA1 GLY 24 -5.725 3.213 12.870
192 H HIS 25 HN HIS 25 -4.329 5.511 10.865
193 HA HIS 25 HA HIS 25 -3.534 7.235 12.905
194 HB2 HIS 25 HB2 HIS 25 -2.610 8.570 11.230
195 HB3 HIS 25 HB1 HIS 25 -2.704 6.997 10.441
196 HD1 HIS 25 HD1 HIS 25 -4.830 10.151 10.777
197 HD2 HIS 25 HD2 HIS 25 -4.130 7.055 8.075
198 HE1 HIS 25 HE1 HIS 25 -6.174 10.695 8.699
199 HE2 HIS 25 HE2 HIS 25 -5.757 8.816 7.043
200 HN1 NH2 26 H1 HIS 25 -4.260 9.463 13.405
201 HN2 NH2 26 H2 HIS 25 -5.883 9.899 13.165