Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633095 | 6e5i RC | 30497 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 HT1 ASN 1 -10.532 7.020 -0.928
2 H2 ASN 1 HT2 ASN 1 -9.451 7.713 -2.029
3 H3 ASN 1 HT3 ASN 1 -9.134 7.784 -0.371
4 HA ASN 1 HA ASN 1 -8.815 5.447 -0.241
5 HB2 ASN 1 HB2 ASN 1 -9.517 5.496 -3.181
6 HB3 ASN 1 HB1 ASN 1 -8.853 4.097 -2.345
7 HD21 ASN 1 HD21 ASN 1 -10.160 2.908 -0.981
8 HD22 ASN 1 HD22 ASN 1 -11.871 3.145 -0.885
9 H ASP 2 HN ASP 2 -7.351 7.918 -0.637
10 HA ASP 2 HA ASP 2 -5.206 7.227 -2.475
11 HB2 ASP 2 HB2 ASP 2 -5.705 9.692 -0.816
12 HB3 ASP 2 HB1 ASP 2 -4.272 9.459 -1.802
13 H LYS 3 HN LYS 3 -5.921 6.515 0.679
14 HA LYS 3 HA LYS 3 -3.461 6.836 1.980
15 HB2 LYS 3 HB2 LYS 3 -5.517 6.194 3.169
16 HB3 LYS 3 HB1 LYS 3 -5.508 4.640 2.351
17 HG2 LYS 3 HG2 LYS 3 -3.422 4.050 3.451
18 HG3 LYS 3 HG1 LYS 3 -3.391 5.620 4.252
19 HD2 LYS 3 HD2 LYS 3 -5.482 5.077 5.399
20 HD3 LYS 3 HD1 LYS 3 -5.520 3.510 4.589
21 HE2 LYS 3 HE2 LYS 3 -4.662 3.338 6.881
22 HE3 LYS 3 HE1 LYS 3 -3.460 2.859 5.689
23 HZ1 LYS 3 HZ1 LYS 3 -3.584 5.505 7.026
24 HZ2 LYS 3 HZ2 LYS 3 -2.407 5.005 5.920
25 HZ3 LYS 3 HZ3 LYS 3 -2.519 4.256 7.431
26 H CYS 4 HN CYS 4 -4.619 4.517 -0.322
27 HA CYS 4 HA CYS 4 -2.595 2.606 -0.236
28 HB2 CYS 4 HB2 CYS 4 -4.608 2.337 -1.590
29 HB3 CYS 4 HB1 CYS 4 -4.128 3.689 -2.608
30 H LYS 5 HN LYS 5 -2.769 5.676 -1.989
31 HA LYS 5 HA LYS 5 -0.236 5.447 -3.247
32 HB2 LYS 5 HB2 LYS 5 -1.851 7.925 -2.603
33 HB3 LYS 5 HB1 LYS 5 -0.465 7.871 -3.679
34 HG2 LYS 5 HG2 LYS 5 -1.727 6.322 -5.150
35 HG3 LYS 5 HG1 LYS 5 -3.129 6.531 -4.099
36 HD2 LYS 5 HD2 LYS 5 -3.028 8.968 -4.516
37 HD3 LYS 5 HD1 LYS 5 -1.708 8.691 -5.650
38 HE2 LYS 5 HE2 LYS 5 -3.697 8.899 -6.929
39 HE3 LYS 5 HE1 LYS 5 -3.256 7.193 -6.935
40 HZ1 LYS 5 HZ1 LYS 5 -4.908 6.765 -5.271
41 HZ2 LYS 5 HZ2 LYS 5 -5.640 7.574 -6.559
42 HZ3 LYS 5 HZ3 LYS 5 -5.278 8.411 -5.130
43 H GLU 6 HN GLU 6 -1.394 6.923 -0.271
44 HA GLU 6 HA GLU 6 0.960 8.228 0.507
45 HB2 GLU 6 HB2 GLU 6 -1.241 7.009 2.181
46 HB3 GLU 6 HB1 GLU 6 0.015 8.057 2.819
47 HG2 GLU 6 HG2 GLU 6 -0.763 9.882 1.430
48 HG3 GLU 6 HG1 GLU 6 -1.982 8.839 0.707
49 H LEU 7 HN LEU 7 -0.204 4.959 1.177
50 HA LEU 7 HA LEU 7 1.996 4.137 2.740
51 HB2 LEU 7 HB2 LEU 7 0.121 2.510 1.024
52 HB3 LEU 7 HB1 LEU 7 1.234 1.841 2.200
53 HG LEU 7 HG LEU 7 -1.012 3.733 2.904
54 HD11 LEU 7 HD11 LEU 7 -0.897 0.731 3.138
55 HD12 LEU 7 HD12 LEU 7 -1.890 1.637 1.999
56 HD13 LEU 7 HD13 LEU 7 -2.191 1.770 3.730
57 HD21 LEU 7 HD21 LEU 7 -0.589 2.965 5.185
58 HD22 LEU 7 HD22 LEU 7 0.848 3.721 4.495
59 HD23 LEU 7 HD23 LEU 7 0.740 1.963 4.607
60 H LYS 8 HN LYS 8 1.307 3.925 -0.725
61 HA LYS 8 HA LYS 8 3.593 2.442 -1.424
62 HB2 LYS 8 HB2 LYS 8 1.577 2.840 -2.878
63 HB3 LYS 8 HB1 LYS 8 2.185 4.465 -3.171
64 HG2 LYS 8 HG2 LYS 8 4.252 3.478 -4.098
65 HG3 LYS 8 HG1 LYS 8 3.540 1.878 -3.897
66 HD2 LYS 8 HD2 LYS 8 3.211 2.518 -6.163
67 HD3 LYS 8 HD1 LYS 8 1.649 2.642 -5.355
68 HE2 LYS 8 HE2 LYS 8 1.864 5.028 -5.184
69 HE3 LYS 8 HE1 LYS 8 3.515 4.966 -5.801
70 HZ1 LYS 8 HZ1 LYS 8 1.075 4.211 -7.318
71 HZ2 LYS 8 HZ2 LYS 8 2.658 4.163 -7.909
72 HZ3 LYS 8 HZ3 LYS 8 1.951 5.644 -7.510
73 H LYS 9 HN LYS 9 3.087 5.873 -0.911
74 HA LYS 9 HA LYS 9 5.664 6.646 -1.889
75 HB2 LYS 9 HB2 LYS 9 3.733 8.085 -0.056
76 HB3 LYS 9 HB1 LYS 9 5.181 8.804 -0.745
77 HG2 LYS 9 HG2 LYS 9 4.290 8.570 -2.975
78 HG3 LYS 9 HG1 LYS 9 2.878 7.715 -2.351
79 HD2 LYS 9 HD2 LYS 9 2.268 9.733 -1.060
80 HD3 LYS 9 HD1 LYS 9 3.642 10.577 -1.776
81 HE2 LYS 9 HE2 LYS 9 2.671 10.183 -4.016
82 HE3 LYS 9 HE1 LYS 9 1.272 9.434 -3.248
83 HZ1 LYS 9 HZ1 LYS 9 0.841 11.543 -2.114
84 HZ2 LYS 9 HZ2 LYS 9 0.805 11.723 -3.792
85 HZ3 LYS 9 HZ3 LYS 9 2.149 12.252 -2.915
86 H ARG 10 HN ARG 10 4.286 6.007 1.300
87 HA ARG 10 HA ARG 10 6.540 6.680 2.826
88 HB2 ARG 10 HB2 ARG 10 4.353 6.444 3.835
89 HB3 ARG 10 HB1 ARG 10 4.292 4.745 3.393
90 HG2 ARG 10 HG2 ARG 10 6.177 4.287 4.887
91 HG3 ARG 10 HG1 ARG 10 6.216 5.993 5.345
92 HD2 ARG 10 HD2 ARG 10 4.021 5.834 6.319
93 HD3 ARG 10 HD1 ARG 10 3.829 4.188 5.722
94 HE ARG 10 HE ARG 10 6.006 3.935 7.247
95 HH11 ARG 10 HH11 ARG 10 3.002 5.212 9.590
96 HH12 ARG 10 HH12 ARG 10 2.938 5.495 7.881
97 HH21 ARG 10 HH21 ARG 10 6.092 3.561 9.496
98 HH22 ARG 10 HH22 ARG 10 4.795 4.107 10.507
99 H TYR 11 HN TYR 11 5.430 3.513 1.642
100 HA TYR 11 HA TYR 11 7.790 2.234 2.733
101 HB2 TYR 11 HB2 TYR 11 5.368 1.180 1.288
102 HB3 TYR 11 HB1 TYR 11 6.713 0.155 1.770
103 HD1 TYR 11 HD1 TYR 11 7.166 -0.275 4.128
104 HD2 TYR 11 HD2 TYR 11 3.811 2.043 2.920
105 HE1 TYR 11 HE1 TYR 11 6.188 -0.533 6.370
106 HE2 TYR 11 HE2 TYR 11 2.828 1.795 5.156
107 HH TYR 11 HH TYR 11 2.941 0.393 7.083
108 H ORN 12 HT1 ORN 12 11.676 0.458 -4.257
109 HA ORN 12 HA ORN 12 10.420 1.530 -2.519
110 HB2 ORN 12 HB1 ORN 12 8.214 1.691 -4.584
111 HB3 ORN 12 HB2 ORN 12 9.195 3.062 -4.084
112 HG2 ORN 12 HG1 ORN 12 7.516 1.436 -2.194
113 HG3 ORN 12 HG2 ORN 12 6.959 2.909 -2.986
114 HD2 ORN 12 HD1 ORN 12 8.518 4.239 -1.857
115 HD3 ORN 12 HD2 ORN 12 9.488 2.852 -1.378
116 HE1 ORN 12 HE ORN 12 7.112 3.848 -0.072
117 H CYS 13 HN CYS 13 9.231 0.190 -1.158
118 HA CYS 13 HA CYS 13 9.060 -2.552 -1.886
119 HB2 CYS 13 HB2 CYS 13 7.911 -1.083 0.498
120 HB3 CYS 13 HB1 CYS 13 8.037 -2.831 0.346
121 H GLU 14 HN GLU 14 7.226 -3.826 -2.261
122 HA GLU 14 HA GLU 14 5.257 -2.309 -3.751
123 HB2 GLU 14 HB2 GLU 14 5.797 -5.260 -3.511
124 HB3 GLU 14 HB1 GLU 14 4.421 -4.626 -4.395
125 HG2 GLU 14 HG2 GLU 14 6.024 -3.326 -5.798
126 HG3 GLU 14 HG1 GLU 14 7.334 -4.188 -4.991
127 H VAL 15 HN VAL 15 3.732 -1.414 -2.581
128 HA VAL 15 HA VAL 15 2.403 -2.890 -0.463
129 HB VAL 15 HB VAL 15 1.851 -0.121 -1.548
130 HG11 VAL 15 HG11 VAL 15 0.534 0.188 0.511
131 HG12 VAL 15 HG12 VAL 15 0.781 -1.515 0.901
132 HG13 VAL 15 HG13 VAL 15 -0.136 -1.065 -0.536
133 HG21 VAL 15 HG21 VAL 15 2.915 0.667 0.522
134 HG22 VAL 15 HG22 VAL 15 4.032 -0.244 -0.494
135 HG23 VAL 15 HG23 VAL 15 3.321 -0.999 0.932
136 H ARG 16 HN ARG 16 0.948 -4.341 -1.054
137 HA ARG 16 HA ARG 16 -0.561 -4.009 -3.515
138 HB2 ARG 16 HB2 ARG 16 0.298 -6.222 -3.102
139 HB3 ARG 16 HB1 ARG 16 -0.435 -6.256 -1.506
140 HG2 ARG 16 HG2 ARG 16 -2.667 -6.098 -2.616
141 HG3 ARG 16 HG1 ARG 16 -1.837 -6.303 -4.159
142 HD2 ARG 16 HD2 ARG 16 -1.068 -8.467 -3.547
143 HD3 ARG 16 HD1 ARG 16 -1.591 -8.249 -1.878
144 HE ARG 16 HE ARG 16 -3.819 -7.988 -3.566
145 HH11 ARG 16 HH11 ARG 16 -1.568 -10.450 -2.509
146 HH12 ARG 16 HH12 ARG 16 -2.724 -11.736 -2.625
147 HH21 ARG 16 HH21 ARG 16 -4.880 -11.289 -3.307
148 HH22 ARG 16 HH22 ARG 16 -5.352 -9.661 -3.702
149 H CYS 17 HN CYS 17 -2.162 -2.610 -3.332
150 HA CYS 17 HA CYS 17 -3.821 -2.523 -0.959
151 HB2 CYS 17 HB2 CYS 17 -4.064 -0.999 -3.559
152 HB3 CYS 17 HB1 CYS 17 -4.913 -0.640 -2.059
153 H ASP 18 HN ASP 18 -4.937 -4.408 -0.904
154 HA ASP 18 HA ASP 18 -6.587 -5.092 -3.248
155 HB2 ASP 18 HB2 ASP 18 -4.908 -6.807 -2.432
156 HB3 ASP 18 HB1 ASP 18 -5.851 -6.918 -0.953
157 HA DPR 19 HA DPR 19 -10.338 -4.530 -0.877
158 HB2 DPR 19 HB1 DPR 19 -10.235 -1.749 -1.840
159 HB3 DPR 19 HB2 DPR 19 -11.498 -2.965 -2.042
160 HG2 DPR 19 HG1 DPR 19 -9.920 -2.228 -4.079
161 HG3 DPR 19 HG2 DPR 19 -10.491 -3.896 -3.897
162 HD2 DPR 19 HD1 DPR 19 -7.804 -2.733 -3.282
163 HD3 DPR 19 HD2 DPR 19 -8.226 -4.314 -3.975
164 HA PRO 20 HA PRO 20 -9.269 -1.808 2.549
165 HB2 PRO 20 HB2 PRO 20 -10.132 -3.385 4.508
166 HB3 PRO 20 HB1 PRO 20 -11.280 -2.595 3.420
167 HG2 PRO 20 HG2 PRO 20 -10.297 -5.419 3.408
168 HG3 PRO 20 HG1 PRO 20 -11.938 -4.805 3.141
169 HD2 PRO 20 HD2 PRO 20 -10.167 -5.513 1.130
170 HD3 PRO 20 HD1 PRO 20 -11.551 -4.424 0.931
171 H ARG 21 HN ARG 21 -7.746 -4.504 1.417
172 HA ARG 21 HA ARG 21 -6.019 -4.830 3.766
173 HB2 ARG 21 HB2 ARG 21 -6.192 -6.459 1.227
174 HB3 ARG 21 HB1 ARG 21 -5.098 -6.788 2.561
175 HG2 ARG 21 HG2 ARG 21 -7.044 -7.136 4.031
176 HG3 ARG 21 HG1 ARG 21 -8.107 -6.893 2.644
177 HD2 ARG 21 HD2 ARG 21 -6.001 -9.038 2.905
178 HD3 ARG 21 HD1 ARG 21 -7.735 -9.275 3.112
179 HE ARG 21 HE ARG 21 -7.419 -8.183 0.595
180 HH11 ARG 21 HH11 ARG 21 -6.298 -11.057 2.257
181 HH12 ARG 21 HH12 ARG 21 -6.253 -12.023 0.815
182 HH21 ARG 21 HH21 ARG 21 -7.353 -9.452 -1.301
183 HH22 ARG 21 HH22 ARG 21 -6.838 -11.115 -1.204
184 H TYR 22 HN TYR 22 -3.911 -4.314 3.749
185 HA TYR 22 HA TYR 22 -2.750 -3.317 1.245
186 HB2 TYR 22 HB2 TYR 22 -2.359 -2.068 3.975
187 HB3 TYR 22 HB1 TYR 22 -1.630 -1.530 2.466
188 HD1 TYR 22 HD1 TYR 22 -3.076 -0.578 0.677
189 HD2 TYR 22 HD2 TYR 22 -4.557 -1.417 4.572
190 HE1 TYR 22 HE1 TYR 22 -5.013 0.861 0.243
191 HE2 TYR 22 HE2 TYR 22 -6.499 0.022 4.152
192 HH TYR 22 HH TYR 22 -7.476 0.976 1.205
193 H GLU 23 HN GLU 23 -1.624 -5.155 0.889
194 HA GLU 23 HA GLU 23 -0.064 -6.351 3.036
195 HB2 GLU 23 HB2 GLU 23 -0.358 -7.226 0.160
196 HB3 GLU 23 HB1 GLU 23 0.355 -8.158 1.464
197 HG2 GLU 23 HG2 GLU 23 -2.525 -7.296 1.316
198 HG3 GLU 23 HG1 GLU 23 -1.912 -8.899 0.915
199 H VAL 24 HN VAL 24 1.864 -5.509 3.425
200 HA VAL 24 HA VAL 24 3.197 -4.011 1.320
201 HB VAL 24 HB VAL 24 3.900 -4.232 4.252
202 HG11 VAL 24 HG11 VAL 24 4.918 -2.369 2.107
203 HG12 VAL 24 HG12 VAL 24 5.827 -3.665 2.886
204 HG13 VAL 24 HG13 VAL 24 5.308 -2.265 3.824
205 HG21 VAL 24 HG21 VAL 24 2.447 -2.058 2.744
206 HG22 VAL 24 HG22 VAL 24 2.953 -1.968 4.430
207 HG23 VAL 24 HG23 VAL 24 1.741 -3.151 3.935
208 H HIS 25 HN HIS 25 4.455 -5.146 0.041
209 HA HIS 25 HA HIS 25 6.124 -7.298 1.100
210 HB2 HIS 25 HB2 HIS 25 4.900 -7.537 -1.092
211 HB3 HIS 25 HB1 HIS 25 5.914 -6.257 -1.733
212 HD1 HIS 25 HD1 HIS 25 5.694 -9.796 -1.648
213 HD2 HIS 25 HD2 HIS 25 8.822 -7.071 -1.480
214 HE1 HIS 25 HE1 HIS 25 7.750 -11.082 -2.303
215 HE2 HIS 25 HE2 HIS 25 9.600 -9.379 -2.341
216 H CYS 26 HN CYS 26 7.676 -6.291 2.299
217 HA CYS 26 HA CYS 26 9.438 -4.425 0.880
218 HB2 CYS 26 HB2 CYS 26 7.755 -3.266 2.421
219 HB3 CYS 26 HB1 CYS 26 8.617 -4.020 3.754
220 HN1 NH2 27 HN1 NH2 27 10.938 -6.053 0.653
221 HN2 NH2 27 HN2 NH2 27 11.809 -6.727 1.983
Start of MODEL 2
1 H1 ASN 1 HT1 ASN 1 -9.837 7.551 -2.207
2 H2 ASN 1 HT2 ASN 1 -9.402 8.290 -0.750
3 H3 ASN 1 HT3 ASN 1 -10.755 7.286 -0.813
4 HA ASN 1 HA ASN 1 -8.898 6.171 0.239
5 HB2 ASN 1 HB2 ASN 1 -9.616 5.080 -2.495
6 HB3 ASN 1 HB1 ASN 1 -8.875 4.147 -1.200
7 HD21 ASN 1 HD21 ASN 1 -10.117 3.548 0.576
8 HD22 ASN 1 HD22 ASN 1 -11.844 3.643 0.557
9 H ASP 2 HN ASP 2 -7.149 7.829 0.030
10 HA ASP 2 HA ASP 2 -5.332 7.408 -2.214
11 HB2 ASP 2 HB2 ASP 2 -5.232 9.355 0.092
12 HB3 ASP 2 HB1 ASP 2 -4.019 9.257 -1.175
13 H LYS 3 HN LYS 3 -5.872 5.602 0.294
14 HA LYS 3 HA LYS 3 -3.586 5.607 1.890
15 HB2 LYS 3 HB2 LYS 3 -5.469 3.338 1.267
16 HB3 LYS 3 HB1 LYS 3 -4.224 3.273 2.504
17 HG2 LYS 3 HG2 LYS 3 -5.341 5.304 3.528
18 HG3 LYS 3 HG1 LYS 3 -6.688 4.983 2.434
19 HD2 LYS 3 HD2 LYS 3 -6.831 2.689 3.365
20 HD3 LYS 3 HD1 LYS 3 -5.567 3.111 4.520
21 HE2 LYS 3 HE2 LYS 3 -8.290 4.385 4.285
22 HE3 LYS 3 HE1 LYS 3 -7.747 3.292 5.557
23 HZ1 LYS 3 HZ1 LYS 3 -6.067 4.954 6.164
24 HZ2 LYS 3 HZ2 LYS 3 -7.639 5.546 6.323
25 HZ3 LYS 3 HZ3 LYS 3 -6.694 6.010 5.003
26 H CYS 4 HN CYS 4 -4.222 3.919 -1.143
27 HA CYS 4 HA CYS 4 -1.992 2.204 -1.048
28 HB2 CYS 4 HB2 CYS 4 -3.425 3.363 -3.443
29 HB3 CYS 4 HB1 CYS 4 -2.249 2.060 -3.516
30 H LYS 5 HN LYS 5 -2.428 5.483 -2.223
31 HA LYS 5 HA LYS 5 0.204 5.738 -3.287
32 HB2 LYS 5 HB2 LYS 5 -1.879 7.783 -2.508
33 HB3 LYS 5 HB1 LYS 5 -0.337 8.206 -3.240
34 HG2 LYS 5 HG2 LYS 5 -0.908 6.924 -5.226
35 HG3 LYS 5 HG1 LYS 5 -2.439 6.448 -4.491
36 HD2 LYS 5 HD2 LYS 5 -3.164 8.757 -4.431
37 HD3 LYS 5 HD1 LYS 5 -1.604 9.286 -5.063
38 HE2 LYS 5 HE2 LYS 5 -3.574 7.511 -6.500
39 HE3 LYS 5 HE1 LYS 5 -3.332 9.230 -6.805
40 HZ1 LYS 5 HZ1 LYS 5 -1.345 7.065 -7.217
41 HZ2 LYS 5 HZ2 LYS 5 -1.015 8.710 -7.401
42 HZ3 LYS 5 HZ3 LYS 5 -2.132 7.955 -8.418
43 H GLU 6 HN GLU 6 -1.334 6.620 -0.222
44 HA GLU 6 HA GLU 6 0.857 8.008 0.863
45 HB2 GLU 6 HB2 GLU 6 -1.334 6.481 2.283
46 HB3 GLU 6 HB1 GLU 6 -0.216 7.587 3.067
47 HG2 GLU 6 HG2 GLU 6 -1.093 9.377 1.528
48 HG3 GLU 6 HG1 GLU 6 -2.349 8.240 1.055
49 H LEU 7 HN LEU 7 -0.095 4.625 1.025
50 HA LEU 7 HA LEU 7 2.018 3.812 2.737
51 HB2 LEU 7 HB2 LEU 7 0.251 2.254 0.854
52 HB3 LEU 7 HB1 LEU 7 1.369 1.516 1.983
53 HG LEU 7 HG LEU 7 -0.865 3.334 2.879
54 HD11 LEU 7 HD11 LEU 7 -2.134 1.322 3.424
55 HD12 LEU 7 HD12 LEU 7 -0.885 0.325 2.678
56 HD13 LEU 7 HD13 LEU 7 -1.837 1.432 1.689
57 HD21 LEU 7 HD21 LEU 7 0.971 3.007 4.458
58 HD22 LEU 7 HD22 LEU 7 0.780 1.258 4.321
59 HD23 LEU 7 HD23 LEU 7 -0.508 2.235 5.026
60 H LYS 8 HN LYS 8 1.550 3.695 -0.785
61 HA LYS 8 HA LYS 8 3.949 2.324 -1.349
62 HB2 LYS 8 HB2 LYS 8 2.045 2.528 -2.923
63 HB3 LYS 8 HB1 LYS 8 2.419 4.232 -3.125
64 HG2 LYS 8 HG2 LYS 8 4.541 3.692 -4.128
65 HG3 LYS 8 HG1 LYS 8 4.280 1.973 -3.827
66 HD2 LYS 8 HD2 LYS 8 2.310 2.030 -5.291
67 HD3 LYS 8 HD1 LYS 8 2.603 3.741 -5.605
68 HE2 LYS 8 HE2 LYS 8 3.454 2.386 -7.428
69 HE3 LYS 8 HE1 LYS 8 4.779 3.182 -6.581
70 HZ1 LYS 8 HZ1 LYS 8 5.275 1.140 -5.444
71 HZ2 LYS 8 HZ2 LYS 8 5.241 0.845 -7.106
72 HZ3 LYS 8 HZ3 LYS 8 3.942 0.368 -6.139
73 H LYS 9 HN LYS 9 3.210 5.716 -0.880
74 HA LYS 9 HA LYS 9 5.788 6.664 -1.654
75 HB2 LYS 9 HB2 LYS 9 3.550 7.856 -0.038
76 HB3 LYS 9 HB1 LYS 9 5.083 8.687 -0.237
77 HG2 LYS 9 HG2 LYS 9 3.228 7.859 -2.461
78 HG3 LYS 9 HG1 LYS 9 3.410 9.487 -1.814
79 HD2 LYS 9 HD2 LYS 9 5.510 7.866 -3.246
80 HD3 LYS 9 HD1 LYS 9 4.669 9.286 -3.864
81 HE2 LYS 9 HE2 LYS 9 6.566 9.203 -1.521
82 HE3 LYS 9 HE1 LYS 9 6.901 9.879 -3.112
83 HZ1 LYS 9 HZ1 LYS 9 4.877 10.877 -1.181
84 HZ2 LYS 9 HZ2 LYS 9 5.141 11.507 -2.726
85 HZ3 LYS 9 HZ3 LYS 9 6.354 11.615 -1.554
86 H ARG 10 HN ARG 10 4.273 5.891 1.450
87 HA ARG 10 HA ARG 10 6.388 6.643 3.108
88 HB2 ARG 10 HB2 ARG 10 4.219 6.231 4.038
89 HB3 ARG 10 HB1 ARG 10 4.231 4.567 3.473
90 HG2 ARG 10 HG2 ARG 10 6.061 4.050 4.998
91 HG3 ARG 10 HG1 ARG 10 6.059 5.721 5.566
92 HD2 ARG 10 HD2 ARG 10 3.919 5.478 6.551
93 HD3 ARG 10 HD1 ARG 10 3.636 3.942 5.736
94 HE ARG 10 HE ARG 10 5.764 3.325 7.189
95 HH11 ARG 10 HH11 ARG 10 2.960 4.615 9.759
96 HH12 ARG 10 HH12 ARG 10 2.939 5.169 8.116
97 HH21 ARG 10 HH21 ARG 10 5.804 2.605 9.359
98 HH22 ARG 10 HH22 ARG 10 4.595 3.166 10.467
99 H TYR 11 HN TYR 11 5.690 3.518 1.582
100 HA TYR 11 HA TYR 11 8.033 2.369 2.869
101 HB2 TYR 11 HB2 TYR 11 5.823 1.170 1.212
102 HB3 TYR 11 HB1 TYR 11 7.209 0.245 1.779
103 HD1 TYR 11 HD1 TYR 11 7.564 -0.096 4.198
104 HD2 TYR 11 HD2 TYR 11 4.046 1.771 2.703
105 HE1 TYR 11 HE1 TYR 11 6.455 -0.462 6.363
106 HE2 TYR 11 HE2 TYR 11 2.933 1.411 4.861
107 HH TYR 11 HH TYR 11 3.089 -0.018 6.806
108 H ORN 12 HT1 ORN 12 12.260 2.627 -4.053
109 HA ORN 12 HA ORN 12 11.101 1.950 -2.042
110 HB2 ORN 12 HB1 ORN 12 9.195 2.309 -4.360
111 HB3 ORN 12 HB2 ORN 12 10.133 3.619 -3.662
112 HG2 ORN 12 HG1 ORN 12 8.179 1.944 -2.103
113 HG3 ORN 12 HG2 ORN 12 7.777 3.483 -2.861
114 HD2 ORN 12 HD1 ORN 12 9.156 4.689 -1.434
115 HD3 ORN 12 HD2 ORN 12 10.096 3.274 -0.983
116 HE1 ORN 12 HE ORN 12 7.614 4.153 0.190
117 H CYS 13 HN CYS 13 9.461 0.640 -1.080
118 HA CYS 13 HA CYS 13 9.371 -2.047 -2.166
119 HB2 CYS 13 HB2 CYS 13 8.388 -0.877 0.441
120 HB3 CYS 13 HB1 CYS 13 8.321 -2.587 0.027
121 H GLU 14 HN GLU 14 7.317 -3.230 -2.283
122 HA GLU 14 HA GLU 14 5.428 -1.466 -3.668
123 HB2 GLU 14 HB2 GLU 14 5.980 -4.419 -3.893
124 HB3 GLU 14 HB1 GLU 14 4.627 -3.633 -4.698
125 HG2 GLU 14 HG2 GLU 14 7.542 -2.996 -5.113
126 HG3 GLU 14 HG1 GLU 14 6.515 -3.926 -6.202
127 H VAL 15 HN VAL 15 3.538 -1.042 -2.854
128 HA VAL 15 HA VAL 15 2.473 -2.757 -0.728
129 HB VAL 15 HB VAL 15 1.734 0.079 -1.471
130 HG11 VAL 15 HG11 VAL 15 0.782 -1.618 0.836
131 HG12 VAL 15 HG12 VAL 15 -0.173 -1.173 -0.579
132 HG13 VAL 15 HG13 VAL 15 0.368 0.071 0.546
133 HG21 VAL 15 HG21 VAL 15 3.221 -0.990 0.925
134 HG22 VAL 15 HG22 VAL 15 2.792 0.694 0.635
135 HG23 VAL 15 HG23 VAL 15 3.943 -0.118 -0.426
136 H ARG 16 HN ARG 16 0.742 -3.956 -1.103
137 HA ARG 16 HA ARG 16 -0.632 -3.624 -3.683
138 HB2 ARG 16 HB2 ARG 16 -0.458 -6.069 -1.919
139 HB3 ARG 16 HB1 ARG 16 -1.238 -5.984 -3.489
140 HG2 ARG 16 HG2 ARG 16 1.701 -5.568 -2.982
141 HG3 ARG 16 HG1 ARG 16 0.966 -7.046 -3.596
142 HD2 ARG 16 HD2 ARG 16 0.846 -4.350 -4.946
143 HD3 ARG 16 HD1 ARG 16 1.946 -5.656 -5.383
144 HE ARG 16 HE ARG 16 -0.789 -6.488 -5.416
145 HH11 ARG 16 HH11 ARG 16 1.641 -4.776 -7.260
146 HH12 ARG 16 HH12 ARG 16 0.928 -5.162 -8.793
147 HH21 ARG 16 HH21 ARG 16 -1.003 -6.407 -8.885
148 HH22 ARG 16 HH22 ARG 16 -1.735 -6.991 -7.423
149 H CYS 17 HN CYS 17 -2.833 -3.514 -3.768
150 HA CYS 17 HA CYS 17 -4.148 -3.061 -1.177
151 HB2 CYS 17 HB2 CYS 17 -4.774 -1.756 -3.828
152 HB3 CYS 17 HB1 CYS 17 -5.511 -1.375 -2.277
153 H ASP 18 HN ASP 18 -5.626 -4.548 -0.739
154 HA ASP 18 HA ASP 18 -7.326 -5.487 -2.950
155 HB2 ASP 18 HB2 ASP 18 -5.823 -7.299 -2.069
156 HB3 ASP 18 HB1 ASP 18 -6.605 -7.114 -0.503
157 HA DPR 19 HA DPR 19 -10.904 -4.228 -0.642
158 HB2 DPR 19 HB1 DPR 19 -10.310 -1.504 -1.602
159 HB3 DPR 19 HB2 DPR 19 -11.767 -2.478 -1.797
160 HG2 DPR 19 HG1 DPR 19 -10.074 -2.046 -3.832
161 HG3 DPR 19 HG2 DPR 19 -10.948 -3.574 -3.647
162 HD2 DPR 19 HD1 DPR 19 -8.089 -2.944 -3.079
163 HD3 DPR 19 HD2 DPR 19 -8.821 -4.438 -3.696
164 HA PRO 20 HA PRO 20 -9.693 -1.694 2.834
165 HB2 PRO 20 HB2 PRO 20 -10.440 -3.379 4.767
166 HB3 PRO 20 HB1 PRO 20 -11.632 -2.548 3.761
167 HG2 PRO 20 HG2 PRO 20 -10.603 -5.352 3.553
168 HG3 PRO 20 HG1 PRO 20 -12.268 -4.761 3.418
169 HD2 PRO 20 HD2 PRO 20 -10.674 -5.335 1.265
170 HD3 PRO 20 HD1 PRO 20 -12.006 -4.164 1.228
171 H ARG 21 HN ARG 21 -8.283 -4.644 1.853
172 HA ARG 21 HA ARG 21 -6.389 -4.639 4.092
173 HB2 ARG 21 HB2 ARG 21 -6.985 -6.684 1.966
174 HB3 ARG 21 HB1 ARG 21 -5.591 -6.804 3.027
175 HG2 ARG 21 HG2 ARG 21 -7.128 -6.791 4.970
176 HG3 ARG 21 HG1 ARG 21 -8.486 -6.822 3.842
177 HD2 ARG 21 HD2 ARG 21 -7.721 -8.937 2.935
178 HD3 ARG 21 HD1 ARG 21 -6.295 -8.889 3.968
179 HE ARG 21 HE ARG 21 -8.777 -8.785 5.418
180 HH11 ARG 21 HH11 ARG 21 -6.399 -10.891 3.948
181 HH12 ARG 21 HH12 ARG 21 -6.786 -12.245 4.960
182 HH21 ARG 21 HH21 ARG 21 -9.286 -10.571 6.753
183 HH22 ARG 21 HH22 ARG 21 -8.424 -12.062 6.553
184 H TYR 22 HN TYR 22 -4.222 -4.439 3.825
185 HA TYR 22 HA TYR 22 -3.216 -3.838 1.139
186 HB2 TYR 22 HB2 TYR 22 -2.674 -2.208 3.630
187 HB3 TYR 22 HB1 TYR 22 -1.864 -1.990 2.085
188 HD1 TYR 22 HD1 TYR 22 -2.948 -0.866 0.268
189 HD2 TYR 22 HD2 TYR 22 -5.047 -1.627 3.883
190 HE1 TYR 22 HE1 TYR 22 -4.709 0.689 -0.438
191 HE2 TYR 22 HE2 TYR 22 -6.817 -0.078 3.190
192 HH TYR 22 HH TYR 22 -7.078 1.863 1.686
193 H GLU 23 HN GLU 23 -1.295 -4.698 0.692
194 HA GLU 23 HA GLU 23 0.118 -6.110 2.854
195 HB2 GLU 23 HB2 GLU 23 0.042 -6.654 -0.112
196 HB3 GLU 23 HB1 GLU 23 1.114 -7.473 1.006
197 HG2 GLU 23 HG2 GLU 23 -0.817 -8.388 2.186
198 HG3 GLU 23 HG1 GLU 23 -1.892 -7.568 1.050
199 H VAL 24 HN VAL 24 2.245 -5.716 3.174
200 HA VAL 24 HA VAL 24 3.464 -3.679 1.450
201 HB VAL 24 HB VAL 24 4.111 -4.337 4.330
202 HG11 VAL 24 HG11 VAL 24 6.103 -3.667 3.079
203 HG12 VAL 24 HG12 VAL 24 5.627 -2.414 4.224
204 HG13 VAL 24 HG13 VAL 24 5.268 -2.222 2.509
205 HG21 VAL 24 HG21 VAL 24 2.804 -1.912 3.090
206 HG22 VAL 24 HG22 VAL 24 3.237 -2.085 4.790
207 HG23 VAL 24 HG23 VAL 24 2.004 -3.131 4.084
208 H HIS 25 HN HIS 25 4.491 -4.808 -0.051
209 HA HIS 25 HA HIS 25 6.135 -7.098 0.702
210 HB2 HIS 25 HB2 HIS 25 5.302 -5.948 -1.963
211 HB3 HIS 25 HB1 HIS 25 6.507 -7.218 -1.824
212 HD1 HIS 25 HD1 HIS 25 5.644 -9.551 -1.785
213 HD2 HIS 25 HD2 HIS 25 2.684 -6.774 -0.896
214 HE1 HIS 25 HE1 HIS 25 3.502 -10.861 -1.659
215 HE2 HIS 25 HE2 HIS 25 1.773 -9.200 -0.876
216 H CYS 26 HN CYS 26 7.845 -6.258 1.744
217 HA CYS 26 HA CYS 26 9.496 -4.309 0.297
218 HB2 CYS 26 HB2 CYS 26 8.092 -3.296 2.142
219 HB3 CYS 26 HB1 CYS 26 9.000 -4.284 3.278
220 HN1 NH2 27 HN1 NH2 27 10.807 -6.058 -0.343
221 HN2 NH2 27 HN2 NH2 27 11.872 -6.848 0.764
Start of MODEL 3
1 H1 ASN 1 HT1 ASN 1 -5.615 3.769 -6.023
2 H2 ASN 1 HT2 ASN 1 -6.377 5.165 -6.596
3 H3 ASN 1 HT3 ASN 1 -7.300 3.814 -6.176
4 HA ASN 1 HA ASN 1 -7.451 5.507 -4.484
5 HB2 ASN 1 HB2 ASN 1 -5.881 3.046 -3.695
6 HB3 ASN 1 HB1 ASN 1 -6.645 4.134 -2.541
7 HD21 ASN 1 HD21 ASN 1 -7.124 1.303 -3.066
8 HD22 ASN 1 HD22 ASN 1 -8.808 1.178 -3.446
9 H ASP 2 HN ASP 2 -6.536 7.202 -3.544
10 HA ASP 2 HA ASP 2 -3.805 7.850 -4.081
11 HB2 ASP 2 HB2 ASP 2 -5.595 9.554 -3.954
12 HB3 ASP 2 HB1 ASP 2 -5.767 9.225 -2.235
13 H LYS 3 HN LYS 3 -5.543 6.475 -1.406
14 HA LYS 3 HA LYS 3 -3.608 6.752 0.612
15 HB2 LYS 3 HB2 LYS 3 -5.770 4.715 0.127
16 HB3 LYS 3 HB1 LYS 3 -4.694 4.605 1.512
17 HG2 LYS 3 HG2 LYS 3 -5.467 6.733 2.340
18 HG3 LYS 3 HG1 LYS 3 -6.464 6.966 0.902
19 HD2 LYS 3 HD2 LYS 3 -7.874 5.136 1.493
20 HD3 LYS 3 HD1 LYS 3 -6.785 4.641 2.788
21 HE2 LYS 3 HE2 LYS 3 -8.369 7.203 2.684
22 HE3 LYS 3 HE1 LYS 3 -8.750 5.791 3.667
23 HZ1 LYS 3 HZ1 LYS 3 -6.567 6.101 4.766
24 HZ2 LYS 3 HZ2 LYS 3 -7.642 7.377 5.028
25 HZ3 LYS 3 HZ3 LYS 3 -6.377 7.554 3.919
26 H CYS 4 HN CYS 4 -3.967 4.481 -2.019
27 HA CYS 4 HA CYS 4 -1.976 2.653 -1.241
28 HB2 CYS 4 HB2 CYS 4 -2.984 3.419 -3.984
29 HB3 CYS 4 HB1 CYS 4 -1.922 2.052 -3.665
30 H LYS 5 HN LYS 5 -1.895 5.737 -2.862
31 HA LYS 5 HA LYS 5 0.859 5.533 -3.640
32 HB2 LYS 5 HB2 LYS 5 -0.971 7.934 -3.504
33 HB3 LYS 5 HB1 LYS 5 0.631 7.924 -4.230
34 HG2 LYS 5 HG2 LYS 5 -0.189 6.179 -5.822
35 HG3 LYS 5 HG1 LYS 5 -1.808 6.432 -5.166
36 HD2 LYS 5 HD2 LYS 5 -1.644 8.817 -5.779
37 HD3 LYS 5 HD1 LYS 5 -0.070 8.497 -6.509
38 HE2 LYS 5 HE2 LYS 5 -1.663 8.497 -8.268
39 HE3 LYS 5 HE1 LYS 5 -1.207 6.819 -7.986
40 HZ1 LYS 5 HZ1 LYS 5 -3.602 7.117 -8.282
41 HZ2 LYS 5 HZ2 LYS 5 -3.655 8.111 -6.917
42 HZ3 LYS 5 HZ3 LYS 5 -3.232 6.481 -6.763
43 H GLU 6 HN GLU 6 -0.955 6.907 -0.956
44 HA GLU 6 HA GLU 6 1.217 8.226 0.291
45 HB2 GLU 6 HB2 GLU 6 -1.308 7.051 1.467
46 HB3 GLU 6 HB1 GLU 6 -0.159 8.011 2.385
47 HG2 GLU 6 HG2 GLU 6 -0.557 9.868 0.752
48 HG3 GLU 6 HG1 GLU 6 -1.868 8.901 0.078
49 H LEU 7 HN LEU 7 -0.135 4.983 0.666
50 HA LEU 7 HA LEU 7 1.709 4.110 2.617
51 HB2 LEU 7 HB2 LEU 7 0.024 2.610 0.624
52 HB3 LEU 7 HB1 LEU 7 0.990 1.816 1.850
53 HG LEU 7 HG LEU 7 -1.169 3.817 2.507
54 HD11 LEU 7 HD11 LEU 7 -2.581 1.896 3.054
55 HD12 LEU 7 HD12 LEU 7 -1.348 0.809 2.413
56 HD13 LEU 7 HD13 LEU 7 -2.177 1.937 1.338
57 HD21 LEU 7 HD21 LEU 7 0.236 1.726 4.167
58 HD22 LEU 7 HD22 LEU 7 -1.040 2.806 4.723
59 HD23 LEU 7 HD23 LEU 7 0.519 3.464 4.240
60 H LYS 8 HN LYS 8 1.684 3.898 -0.914
61 HA LYS 8 HA LYS 8 4.082 2.495 -1.242
62 HB2 LYS 8 HB2 LYS 8 2.555 2.906 -3.101
63 HB3 LYS 8 HB1 LYS 8 2.843 4.636 -2.985
64 HG2 LYS 8 HG2 LYS 8 5.232 4.206 -3.547
65 HG3 LYS 8 HG1 LYS 8 4.805 2.518 -3.828
66 HD2 LYS 8 HD2 LYS 8 3.476 4.822 -5.242
67 HD3 LYS 8 HD1 LYS 8 4.887 3.979 -5.883
68 HE2 LYS 8 HE2 LYS 8 2.251 2.680 -5.205
69 HE3 LYS 8 HE1 LYS 8 2.750 3.166 -6.824
70 HZ1 LYS 8 HZ1 LYS 8 4.668 1.647 -6.587
71 HZ2 LYS 8 HZ2 LYS 8 3.180 0.846 -6.537
72 HZ3 LYS 8 HZ3 LYS 8 4.039 1.115 -5.109
73 H LYS 9 HN LYS 9 3.442 5.938 -0.798
74 HA LYS 9 HA LYS 9 6.077 6.869 -1.079
75 HB2 LYS 9 HB2 LYS 9 4.196 8.393 -1.095
76 HB3 LYS 9 HB1 LYS 9 3.758 7.938 0.543
77 HG2 LYS 9 HG2 LYS 9 5.972 8.867 1.279
78 HG3 LYS 9 HG1 LYS 9 6.156 9.511 -0.353
79 HD2 LYS 9 HD2 LYS 9 3.815 10.107 1.451
80 HD3 LYS 9 HD1 LYS 9 5.237 11.139 1.304
81 HE2 LYS 9 HE2 LYS 9 3.432 10.369 -0.983
82 HE3 LYS 9 HE1 LYS 9 3.312 11.877 -0.079
83 HZ1 LYS 9 HZ1 LYS 9 4.552 12.220 -2.093
84 HZ2 LYS 9 HZ2 LYS 9 5.632 10.982 -1.702
85 HZ3 LYS 9 HZ3 LYS 9 5.593 12.394 -0.771
86 H ARG 10 HN ARG 10 4.257 5.790 1.757
87 HA ARG 10 HA ARG 10 6.210 6.339 3.688
88 HB2 ARG 10 HB2 ARG 10 3.927 5.910 4.334
89 HB3 ARG 10 HB1 ARG 10 3.995 4.287 3.661
90 HG2 ARG 10 HG2 ARG 10 5.699 3.686 5.329
91 HG3 ARG 10 HG1 ARG 10 5.556 5.303 6.024
92 HD2 ARG 10 HD2 ARG 10 3.298 4.898 6.684
93 HD3 ARG 10 HD1 ARG 10 3.242 3.389 5.772
94 HE ARG 10 HE ARG 10 5.260 2.953 7.507
95 HH11 ARG 10 HH11 ARG 10 1.830 3.384 9.549
96 HH12 ARG 10 HH12 ARG 10 1.962 4.058 7.955
97 HH21 ARG 10 HH21 ARG 10 5.078 2.066 9.580
98 HH22 ARG 10 HH22 ARG 10 3.596 2.246 10.469
99 H TYR 11 HN TYR 11 5.520 3.355 1.887
100 HA TYR 11 HA TYR 11 7.689 2.016 3.272
101 HB2 TYR 11 HB2 TYR 11 5.611 1.050 1.323
102 HB3 TYR 11 HB1 TYR 11 6.909 0.029 1.925
103 HD1 TYR 11 HD1 TYR 11 6.985 -0.621 4.309
104 HD2 TYR 11 HD2 TYR 11 3.754 1.631 2.698
105 HE1 TYR 11 HE1 TYR 11 5.632 -1.153 6.290
106 HE2 TYR 11 HE2 TYR 11 2.394 1.108 4.677
107 HH TYR 11 HH TYR 11 3.680 -0.146 7.516
108 H ORN 12 HT1 ORN 12 11.381 1.292 -4.438
109 HA ORN 12 HA ORN 12 10.888 1.611 -1.544
110 HB2 ORN 12 HB1 ORN 12 9.302 2.666 -3.894
111 HB3 ORN 12 HB2 ORN 12 10.422 3.636 -2.946
112 HG2 ORN 12 HG1 ORN 12 8.022 2.231 -1.798
113 HG3 ORN 12 HG2 ORN 12 8.034 3.917 -2.317
114 HD2 ORN 12 HD1 ORN 12 9.445 4.569 -0.615
115 HD3 ORN 12 HD2 ORN 12 10.091 2.951 -0.384
116 HE1 ORN 12 HE ORN 12 7.604 4.006 0.705
117 H CYS 13 HN CYS 13 9.095 0.460 -0.752
118 HA CYS 13 HA CYS 13 8.673 -2.032 -2.097
119 HB2 CYS 13 HB2 CYS 13 7.365 -0.942 0.391
120 HB3 CYS 13 HB1 CYS 13 7.294 -2.608 -0.157
121 H GLU 14 HN GLU 14 6.771 -2.877 -2.853
122 HA GLU 14 HA GLU 14 4.802 -0.929 -3.781
123 HB2 GLU 14 HB2 GLU 14 5.693 -2.300 -5.529
124 HB3 GLU 14 HB1 GLU 14 5.489 -3.761 -4.573
125 HG2 GLU 14 HG2 GLU 14 3.017 -3.381 -4.697
126 HG3 GLU 14 HG1 GLU 14 3.346 -2.093 -5.856
127 H VAL 15 HN VAL 15 3.161 -0.670 -2.370
128 HA VAL 15 HA VAL 15 2.353 -2.849 -0.669
129 HB VAL 15 HB VAL 15 0.711 -1.359 0.289
130 HG11 VAL 15 HG11 VAL 15 2.174 0.396 1.135
131 HG12 VAL 15 HG12 VAL 15 3.326 0.075 -0.159
132 HG13 VAL 15 HG13 VAL 15 3.011 -1.153 1.066
133 HG21 VAL 15 HG21 VAL 15 0.377 0.915 -0.504
134 HG22 VAL 15 HG22 VAL 15 -0.035 -0.256 -1.758
135 HG23 VAL 15 HG23 VAL 15 1.490 0.626 -1.841
136 H ARG 16 HN ARG 16 0.541 -4.054 -0.834
137 HA ARG 16 HA ARG 16 -0.791 -3.975 -3.444
138 HB2 ARG 16 HB2 ARG 16 -0.916 -6.206 -1.419
139 HB3 ARG 16 HB1 ARG 16 -1.391 -6.263 -3.105
140 HG2 ARG 16 HG2 ARG 16 0.994 -5.919 -3.721
141 HG3 ARG 16 HG1 ARG 16 1.401 -6.070 -2.010
142 HD2 ARG 16 HD2 ARG 16 1.726 -8.212 -2.978
143 HD3 ARG 16 HD1 ARG 16 0.236 -8.298 -2.040
144 HE ARG 16 HE ARG 16 0.345 -8.033 -4.980
145 HH11 ARG 16 HH11 ARG 16 -1.283 -9.145 -2.063
146 HH12 ARG 16 HH12 ARG 16 -2.506 -10.000 -2.945
147 HH21 ARG 16 HH21 ARG 16 -2.496 -10.019 -5.237
148 HH22 ARG 16 HH22 ARG 16 -1.257 -9.169 -6.110
149 H CYS 17 HN CYS 17 -2.615 -2.877 -3.416
150 HA CYS 17 HA CYS 17 -4.161 -2.660 -0.977
151 HB2 CYS 17 HB2 CYS 17 -4.627 -1.462 -3.715
152 HB3 CYS 17 HB1 CYS 17 -5.511 -1.050 -2.248
153 H ASP 18 HN ASP 18 -5.310 -4.392 -0.534
154 HA ASP 18 HA ASP 18 -6.834 -5.685 -2.701
155 HB2 ASP 18 HB2 ASP 18 -5.046 -7.110 -1.783
156 HB3 ASP 18 HB1 ASP 18 -5.709 -6.904 -0.169
157 HA DPR 19 HA DPR 19 -10.608 -5.014 -0.463
158 HB2 DPR 19 HB1 DPR 19 -11.187 -2.462 -1.299
159 HB3 DPR 19 HB2 DPR 19 -11.551 -3.927 -2.212
160 HG2 DPR 19 HG1 DPR 19 -9.286 -2.010 -2.518
161 HG3 DPR 19 HG2 DPR 19 -10.211 -2.865 -3.766
162 HD2 DPR 19 HD1 DPR 19 -7.736 -3.641 -3.006
163 HD3 DPR 19 HD2 DPR 19 -8.976 -4.802 -3.527
164 HA PRO 20 HA PRO 20 -9.852 -2.092 2.866
165 HB2 PRO 20 HB2 PRO 20 -10.579 -3.697 4.870
166 HB3 PRO 20 HB1 PRO 20 -11.781 -3.023 3.764
167 HG2 PRO 20 HG2 PRO 20 -10.577 -5.759 3.816
168 HG3 PRO 20 HG1 PRO 20 -12.259 -5.283 3.527
169 HD2 PRO 20 HD2 PRO 20 -10.437 -5.901 1.541
170 HD3 PRO 20 HD1 PRO 20 -11.885 -4.903 1.310
171 H ARG 21 HN ARG 21 -8.089 -4.735 1.897
172 HA ARG 21 HA ARG 21 -6.331 -4.690 4.255
173 HB2 ARG 21 HB2 ARG 21 -6.597 -6.726 2.039
174 HB3 ARG 21 HB1 ARG 21 -5.417 -6.818 3.339
175 HG2 ARG 21 HG2 ARG 21 -7.188 -7.006 4.978
176 HG3 ARG 21 HG1 ARG 21 -8.404 -6.815 3.715
177 HD2 ARG 21 HD2 ARG 21 -6.405 -9.067 3.886
178 HD3 ARG 21 HD1 ARG 21 -8.088 -9.165 4.390
179 HE ARG 21 HE ARG 21 -7.223 -8.708 1.598
180 HH11 ARG 21 HH11 ARG 21 -9.478 -10.051 3.931
181 HH12 ARG 21 HH12 ARG 21 -10.444 -10.832 2.724
182 HH21 ARG 21 HH21 ARG 21 -8.473 -9.733 0.033
183 HH22 ARG 21 HH22 ARG 21 -9.872 -10.661 0.505
184 H TYR 22 HN TYR 22 -4.114 -4.455 4.004
185 HA TYR 22 HA TYR 22 -3.127 -3.719 1.344
186 HB2 TYR 22 HB2 TYR 22 -2.602 -2.166 3.889
187 HB3 TYR 22 HB1 TYR 22 -1.808 -1.878 2.347
188 HD1 TYR 22 HD1 TYR 22 -2.992 -0.817 0.516
189 HD2 TYR 22 HD2 TYR 22 -4.902 -1.506 4.252
190 HE1 TYR 22 HE1 TYR 22 -4.792 0.724 -0.129
191 HE2 TYR 22 HE2 TYR 22 -6.711 0.029 3.619
192 HH TYR 22 HH TYR 22 -7.032 1.958 2.062
193 H GLU 23 HN GLU 23 -1.314 -4.747 0.856
194 HA GLU 23 HA GLU 23 0.198 -6.016 3.051
195 HB2 GLU 23 HB2 GLU 23 -0.030 -6.919 0.174
196 HB3 GLU 23 HB1 GLU 23 0.843 -7.750 1.451
197 HG2 GLU 23 HG2 GLU 23 -1.250 -8.121 2.649
198 HG3 GLU 23 HG1 GLU 23 -2.130 -7.295 1.364
199 H VAL 24 HN VAL 24 2.556 -6.295 2.581
200 HA VAL 24 HA VAL 24 3.537 -3.977 1.051
201 HB VAL 24 HB VAL 24 4.772 -5.201 3.524
202 HG11 VAL 24 HG11 VAL 24 6.311 -3.301 3.450
203 HG12 VAL 24 HG12 VAL 24 5.572 -2.755 1.945
204 HG13 VAL 24 HG13 VAL 24 6.448 -4.286 1.993
205 HG21 VAL 24 HG21 VAL 24 2.720 -3.971 4.020
206 HG22 VAL 24 HG22 VAL 24 3.337 -2.573 3.141
207 HG23 VAL 24 HG23 VAL 24 4.133 -3.104 4.623
208 H HIS 25 HN HIS 25 4.305 -4.702 -0.792
209 HA HIS 25 HA HIS 25 5.861 -7.195 -0.839
210 HB2 HIS 25 HB2 HIS 25 3.894 -7.270 -2.257
211 HB3 HIS 25 HB1 HIS 25 4.329 -5.748 -3.012
212 HD1 HIS 25 HD1 HIS 25 4.754 -6.354 -5.376
213 HD2 HIS 25 HD2 HIS 25 6.601 -8.989 -2.731
214 HE1 HIS 25 HE1 HIS 25 6.114 -7.916 -6.800
215 HE2 HIS 25 HE2 HIS 25 7.027 -9.628 -5.195
216 H CYS 26 HN CYS 26 7.842 -6.345 -0.244
217 HA CYS 26 HA CYS 26 8.949 -4.070 -1.640
218 HB2 CYS 26 HB2 CYS 26 10.211 -5.943 0.371
219 HB3 CYS 26 HB1 CYS 26 10.923 -4.445 -0.217
220 HN1 NH2 27 HN1 NH2 27 9.021 -4.806 -3.770
221 HN2 NH2 27 HN2 NH2 27 10.171 -5.981 -4.300
Start of MODEL 4
1 H1 ASN 1 HT1 ASN 1 -7.786 6.253 -4.713
2 H2 ASN 1 HT2 ASN 1 -8.694 4.835 -4.575
3 H3 ASN 1 HT3 ASN 1 -7.011 4.751 -4.705
4 HA ASN 1 HA ASN 1 -8.520 5.922 -2.448
5 HB2 ASN 1 HB2 ASN 1 -6.918 3.369 -2.697
6 HB3 ASN 1 HB1 ASN 1 -7.444 4.043 -1.162
7 HD21 ASN 1 HD21 ASN 1 -10.019 4.936 -2.142
8 HD22 ASN 1 HD22 ASN 1 -10.973 3.510 -2.362
9 H ASP 2 HN ASP 2 -7.440 7.566 -1.598
10 HA ASP 2 HA ASP 2 -4.790 8.228 -2.282
11 HB2 ASP 2 HB2 ASP 2 -4.958 10.002 -0.659
12 HB3 ASP 2 HB1 ASP 2 -6.495 9.868 -1.500
13 H LYS 3 HN LYS 3 -6.123 6.271 0.247
14 HA LYS 3 HA LYS 3 -3.973 6.199 2.023
15 HB2 LYS 3 HB2 LYS 3 -6.244 5.219 2.414
16 HB3 LYS 3 HB1 LYS 3 -5.820 3.912 1.317
17 HG2 LYS 3 HG2 LYS 3 -5.558 3.196 3.598
18 HG3 LYS 3 HG1 LYS 3 -3.982 3.277 2.813
19 HD2 LYS 3 HD2 LYS 3 -3.500 5.376 3.885
20 HD3 LYS 3 HD1 LYS 3 -5.126 5.449 4.564
21 HE2 LYS 3 HE2 LYS 3 -3.026 3.383 5.201
22 HE3 LYS 3 HE1 LYS 3 -3.491 4.733 6.230
23 HZ1 LYS 3 HZ1 LYS 3 -5.750 3.781 6.302
24 HZ2 LYS 3 HZ2 LYS 3 -4.582 2.766 6.979
25 HZ3 LYS 3 HZ3 LYS 3 -5.195 2.435 5.442
26 H CYS 4 HN CYS 4 -4.599 4.458 -0.959
27 HA CYS 4 HA CYS 4 -2.426 2.655 -0.808
28 HB2 CYS 4 HB2 CYS 4 -4.335 2.352 -2.354
29 HB3 CYS 4 HB1 CYS 4 -3.818 3.769 -3.259
30 H LYS 5 HN LYS 5 -2.828 5.866 -2.191
31 HA LYS 5 HA LYS 5 -0.293 6.104 -3.372
32 HB2 LYS 5 HB2 LYS 5 -2.094 7.628 -3.929
33 HB3 LYS 5 HB1 LYS 5 -2.175 8.200 -2.270
34 HG2 LYS 5 HG2 LYS 5 0.134 9.087 -2.526
35 HG3 LYS 5 HG1 LYS 5 0.066 8.633 -4.230
36 HD2 LYS 5 HD2 LYS 5 -1.823 10.106 -4.582
37 HD3 LYS 5 HD1 LYS 5 -1.864 10.501 -2.864
38 HE2 LYS 5 HE2 LYS 5 -0.786 12.289 -4.049
39 HE3 LYS 5 HE1 LYS 5 0.413 11.447 -3.074
40 HZ1 LYS 5 HZ1 LYS 5 1.268 11.926 -5.264
41 HZ2 LYS 5 HZ2 LYS 5 -0.012 11.096 -5.989
42 HZ3 LYS 5 HZ3 LYS 5 1.122 10.254 -5.059
43 H GLU 6 HN GLU 6 -1.487 7.047 -0.167
44 HA GLU 6 HA GLU 6 0.901 8.233 0.728
45 HB2 GLU 6 HB2 GLU 6 -1.328 6.946 2.310
46 HB3 GLU 6 HB1 GLU 6 -0.059 7.950 2.998
47 HG2 GLU 6 HG2 GLU 6 -2.102 8.830 0.972
48 HG3 GLU 6 HG1 GLU 6 -2.128 9.190 2.696
49 H LEU 7 HN LEU 7 -0.365 4.940 1.083
50 HA LEU 7 HA LEU 7 1.760 4.004 2.694
51 HB2 LEU 7 HB2 LEU 7 -0.156 2.521 0.903
52 HB3 LEU 7 HB1 LEU 7 0.947 1.743 2.020
53 HG LEU 7 HG LEU 7 -1.191 3.695 2.886
54 HD11 LEU 7 HD11 LEU 7 -2.454 1.725 3.611
55 HD12 LEU 7 HD12 LEU 7 -1.253 0.683 2.850
56 HD13 LEU 7 HD13 LEU 7 -2.241 1.760 1.862
57 HD21 LEU 7 HD21 LEU 7 0.702 3.421 4.431
58 HD22 LEU 7 HD22 LEU 7 0.428 1.678 4.437
59 HD23 LEU 7 HD23 LEU 7 -0.794 2.765 5.093
60 H LYS 8 HN LYS 8 1.213 3.927 -0.807
61 HA LYS 8 HA LYS 8 3.518 2.418 -1.437
62 HB2 LYS 8 HB2 LYS 8 1.666 2.672 -3.002
63 HB3 LYS 8 HB1 LYS 8 1.960 4.401 -3.104
64 HG2 LYS 8 HG2 LYS 8 4.167 3.938 -4.086
65 HG3 LYS 8 HG1 LYS 8 3.800 2.213 -4.042
66 HD2 LYS 8 HD2 LYS 8 1.903 2.563 -5.524
67 HD3 LYS 8 HD1 LYS 8 2.214 4.300 -5.534
68 HE2 LYS 8 HE2 LYS 8 3.087 3.269 -7.551
69 HE3 LYS 8 HE1 LYS 8 4.401 3.896 -6.559
70 HZ1 LYS 8 HZ1 LYS 8 3.533 1.060 -6.607
71 HZ2 LYS 8 HZ2 LYS 8 4.871 1.690 -5.787
72 HZ3 LYS 8 HZ3 LYS 8 4.847 1.677 -7.475
73 H LYS 9 HN LYS 9 2.933 5.853 -1.044
74 HA LYS 9 HA LYS 9 5.512 6.702 -1.903
75 HB2 LYS 9 HB2 LYS 9 3.671 8.240 -1.962
76 HB3 LYS 9 HB1 LYS 9 3.341 7.999 -0.256
77 HG2 LYS 9 HG2 LYS 9 5.436 9.110 0.310
78 HG3 LYS 9 HG1 LYS 9 5.772 9.348 -1.407
79 HD2 LYS 9 HD2 LYS 9 3.898 10.789 -1.658
80 HD3 LYS 9 HD1 LYS 9 3.283 10.372 -0.057
81 HE2 LYS 9 HE2 LYS 9 5.859 11.836 -0.616
82 HE3 LYS 9 HE1 LYS 9 4.348 12.588 -0.108
83 HZ1 LYS 9 HZ1 LYS 9 4.447 11.262 1.930
84 HZ2 LYS 9 HZ2 LYS 9 5.789 12.278 1.776
85 HZ3 LYS 9 HZ3 LYS 9 5.940 10.627 1.452
86 H ARG 10 HN ARG 10 4.102 5.718 1.119
87 HA ARG 10 HA ARG 10 6.175 6.639 2.832
88 HB2 ARG 10 HB2 ARG 10 3.892 6.295 3.597
89 HB3 ARG 10 HB1 ARG 10 3.997 4.587 3.217
90 HG2 ARG 10 HG2 ARG 10 5.696 4.300 4.944
91 HG3 ARG 10 HG1 ARG 10 5.587 6.026 5.327
92 HD2 ARG 10 HD2 ARG 10 3.269 5.782 5.954
93 HD3 ARG 10 HD1 ARG 10 3.275 4.094 5.457
94 HE ARG 10 HE ARG 10 5.211 4.213 7.365
95 HH11 ARG 10 HH11 ARG 10 1.562 4.876 8.914
96 HH12 ARG 10 HH12 ARG 10 1.853 5.188 7.233
97 HH21 ARG 10 HH21 ARG 10 4.839 3.808 9.584
98 HH22 ARG 10 HH22 ARG 10 3.263 4.086 10.254
99 H TYR 11 HN TYR 11 5.310 3.434 1.554
100 HA TYR 11 HA TYR 11 7.625 2.275 2.863
101 HB2 TYR 11 HB2 TYR 11 5.359 1.067 1.288
102 HB3 TYR 11 HB1 TYR 11 6.704 0.129 1.923
103 HD1 TYR 11 HD1 TYR 11 7.044 -0.024 4.398
104 HD2 TYR 11 HD2 TYR 11 3.584 1.755 2.682
105 HE1 TYR 11 HE1 TYR 11 5.872 -0.236 6.546
106 HE2 TYR 11 HE2 TYR 11 2.405 1.551 4.827
107 HH TYR 11 HH TYR 11 2.516 0.180 6.863
108 H ORN 12 HT1 ORN 12 10.866 0.205 -4.690
109 HA ORN 12 HA ORN 12 10.419 1.150 -1.922
110 HB2 ORN 12 HB1 ORN 12 8.570 1.311 -4.313
111 HB3 ORN 12 HB2 ORN 12 9.592 2.643 -3.791
112 HG2 ORN 12 HG1 ORN 12 7.538 1.338 -2.028
113 HG3 ORN 12 HG2 ORN 12 7.220 2.761 -3.019
114 HD2 ORN 12 HD1 ORN 12 8.596 4.111 -1.757
115 HD3 ORN 12 HD2 ORN 12 9.556 2.760 -1.165
116 HE1 ORN 12 HE ORN 12 7.072 3.750 -0.058
117 H CYS 13 HN CYS 13 8.904 -0.042 -0.733
118 HA CYS 13 HA CYS 13 8.821 -2.812 -1.251
119 HB2 CYS 13 HB2 CYS 13 7.075 -1.186 0.595
120 HB3 CYS 13 HB1 CYS 13 7.276 -2.930 0.645
121 H GLU 14 HN GLU 14 7.270 -4.123 -2.075
122 HA GLU 14 HA GLU 14 5.311 -2.915 -3.811
123 HB2 GLU 14 HB2 GLU 14 6.034 -5.780 -3.195
124 HB3 GLU 14 HB1 GLU 14 4.732 -5.338 -4.288
125 HG2 GLU 14 HG2 GLU 14 6.292 -4.230 -5.760
126 HG3 GLU 14 HG1 GLU 14 7.615 -4.551 -4.639
127 H VAL 15 HN VAL 15 3.959 -1.882 -2.310
128 HA VAL 15 HA VAL 15 2.482 -3.556 -0.460
129 HB VAL 15 HB VAL 15 3.037 -1.481 0.509
130 HG11 VAL 15 HG11 VAL 15 3.610 -0.231 -1.463
131 HG12 VAL 15 HG12 VAL 15 2.469 0.690 -0.480
132 HG13 VAL 15 HG13 VAL 15 1.913 -0.139 -1.936
133 HG21 VAL 15 HG21 VAL 15 0.739 -2.202 0.965
134 HG22 VAL 15 HG22 VAL 15 0.172 -1.235 -0.398
135 HG23 VAL 15 HG23 VAL 15 0.896 -0.445 1.003
136 H ARG 16 HN ARG 16 0.890 -4.692 -1.181
137 HA ARG 16 HA ARG 16 -0.504 -4.049 -3.614
138 HB2 ARG 16 HB2 ARG 16 -0.796 -6.265 -1.600
139 HB3 ARG 16 HB1 ARG 16 -1.902 -6.074 -2.945
140 HG2 ARG 16 HG2 ARG 16 -0.021 -6.317 -4.501
141 HG3 ARG 16 HG1 ARG 16 1.058 -6.567 -3.126
142 HD2 ARG 16 HD2 ARG 16 0.315 -8.680 -4.188
143 HD3 ARG 16 HD1 ARG 16 -0.121 -8.555 -2.485
144 HE ARG 16 HE ARG 16 -2.278 -7.610 -4.007
145 HH11 ARG 16 HH11 ARG 16 -0.592 -10.606 -3.339
146 HH12 ARG 16 HH12 ARG 16 -1.976 -11.603 -3.656
147 HH21 ARG 16 HH21 ARG 16 -3.977 -10.641 -4.283
148 HH22 ARG 16 HH22 ARG 16 -4.104 -8.917 -4.426
149 H CYS 17 HN CYS 17 -2.166 -2.768 -3.736
150 HA CYS 17 HA CYS 17 -3.684 -2.115 -1.333
151 HB2 CYS 17 HB2 CYS 17 -3.747 -0.868 -4.089
152 HB3 CYS 17 HB1 CYS 17 -4.563 -0.248 -2.656
153 H ASP 18 HN ASP 18 -4.908 -3.986 -1.141
154 HA ASP 18 HA ASP 18 -6.844 -4.472 -3.311
155 HB2 ASP 18 HB2 ASP 18 -5.537 -6.423 -1.415
156 HB3 ASP 18 HB1 ASP 18 -6.955 -6.826 -2.372
157 HA DPR 19 HA DPR 19 -10.272 -3.933 -0.613
158 HB2 DPR 19 HB1 DPR 19 -10.443 -1.188 -0.584
159 HB3 DPR 19 HB2 DPR 19 -11.096 -2.229 -1.852
160 HG2 DPR 19 HG1 DPR 19 -8.535 -0.694 -1.787
161 HG3 DPR 19 HG2 DPR 19 -9.660 -0.944 -3.133
162 HD2 DPR 19 HD1 DPR 19 -7.357 -2.315 -2.942
163 HD3 DPR 19 HD2 DPR 19 -8.834 -3.059 -3.595
164 HA PRO 20 HA PRO 20 -9.162 -2.307 3.392
165 HB2 PRO 20 HB2 PRO 20 -9.705 -4.528 4.803
166 HB3 PRO 20 HB1 PRO 20 -10.985 -3.508 4.138
167 HG2 PRO 20 HG2 PRO 20 -9.866 -6.073 3.081
168 HG3 PRO 20 HG1 PRO 20 -11.555 -5.549 3.187
169 HD2 PRO 20 HD2 PRO 20 -10.080 -5.414 0.897
170 HD3 PRO 20 HD1 PRO 20 -11.422 -4.312 1.262
171 H ARG 21 HN ARG 21 -7.605 -4.788 1.624
172 HA ARG 21 HA ARG 21 -5.595 -5.142 3.739
173 HB2 ARG 21 HB2 ARG 21 -6.176 -6.788 1.281
174 HB3 ARG 21 HB1 ARG 21 -4.771 -7.038 2.306
175 HG2 ARG 21 HG2 ARG 21 -6.381 -7.368 4.221
176 HG3 ARG 21 HG1 ARG 21 -7.663 -7.408 3.009
177 HD2 ARG 21 HD2 ARG 21 -6.963 -9.667 3.552
178 HD3 ARG 21 HD1 ARG 21 -6.530 -9.276 1.888
179 HE ARG 21 HE ARG 21 -4.279 -8.667 3.329
180 HH11 ARG 21 HH11 ARG 21 -6.252 -11.537 2.926
181 HH12 ARG 21 HH12 ARG 21 -4.939 -12.631 3.224
182 HH21 ARG 21 HH21 ARG 21 -2.558 -10.102 3.705
183 HH22 ARG 21 HH22 ARG 21 -2.835 -11.819 3.665
184 H TYR 22 HN TYR 22 -3.804 -4.069 3.606
185 HA TYR 22 HA TYR 22 -2.735 -3.429 0.946
186 HB2 TYR 22 HB2 TYR 22 -2.386 -1.876 3.519
187 HB3 TYR 22 HB1 TYR 22 -1.585 -1.508 1.995
188 HD1 TYR 22 HD1 TYR 22 -2.869 -0.630 0.098
189 HD2 TYR 22 HD2 TYR 22 -4.697 -1.339 3.867
190 HE1 TYR 22 HE1 TYR 22 -4.783 0.752 -0.580
191 HE2 TYR 22 HE2 TYR 22 -6.614 0.040 3.204
192 HH TYR 22 HH TYR 22 -7.030 1.949 1.562
193 H GLU 23 HN GLU 23 -1.376 -5.038 0.599
194 HA GLU 23 HA GLU 23 0.086 -6.215 2.830
195 HB2 GLU 23 HB2 GLU 23 -0.094 -7.096 -0.052
196 HB3 GLU 23 HB1 GLU 23 0.681 -7.989 1.243
197 HG2 GLU 23 HG2 GLU 23 -2.247 -7.324 1.067
198 HG3 GLU 23 HG1 GLU 23 -1.512 -8.890 0.723
199 H VAL 24 HN VAL 24 1.827 -5.045 3.322
200 HA VAL 24 HA VAL 24 3.453 -3.804 1.294
201 HB VAL 24 HB VAL 24 3.935 -4.050 4.268
202 HG11 VAL 24 HG11 VAL 24 5.985 -3.627 3.001
203 HG12 VAL 24 HG12 VAL 24 5.522 -2.224 3.965
204 HG13 VAL 24 HG13 VAL 24 5.220 -2.239 2.227
205 HG21 VAL 24 HG21 VAL 24 2.770 -1.772 2.667
206 HG22 VAL 24 HG22 VAL 24 3.122 -1.745 4.394
207 HG23 VAL 24 HG23 VAL 24 1.878 -2.824 3.764
208 H HIS 25 HN HIS 25 4.619 -5.139 0.072
209 HA HIS 25 HA HIS 25 6.140 -7.269 1.414
210 HB2 HIS 25 HB2 HIS 25 5.034 -7.024 -1.364
211 HB3 HIS 25 HB1 HIS 25 6.359 -8.124 -1.022
212 HD1 HIS 25 HD1 HIS 25 5.703 -10.394 -0.294
213 HD2 HIS 25 HD2 HIS 25 2.658 -7.633 0.305
214 HE1 HIS 25 HE1 HIS 25 3.729 -11.728 0.497
215 HE2 HIS 25 HE2 HIS 25 1.947 -10.024 0.997
216 H CYS 26 HN CYS 26 7.921 -6.120 2.022
217 HA CYS 26 HA CYS 26 9.389 -4.514 0.128
218 HB2 CYS 26 HB2 CYS 26 10.123 -5.408 2.923
219 HB3 CYS 26 HB1 CYS 26 10.985 -4.202 1.975
220 HN1 NH2 27 HN1 NH2 27 9.933 -5.993 -1.488
221 HN2 NH2 27 HN2 NH2 27 11.121 -7.230 -1.249
Start of MODEL 5
1 H1 ASN 1 HT1 ASN 1 -9.719 5.342 -2.990
2 H2 ASN 1 HT2 ASN 1 -8.755 6.630 -3.508
3 H3 ASN 1 HT3 ASN 1 -9.028 6.389 -1.859
4 HA ASN 1 HA ASN 1 -7.817 4.365 -1.866
5 HB2 ASN 1 HB2 ASN 1 -7.469 4.900 -4.822
6 HB3 ASN 1 HB1 ASN 1 -6.609 3.654 -3.927
7 HD21 ASN 1 HD21 ASN 1 -7.449 1.941 -5.051
8 HD22 ASN 1 HD22 ASN 1 -9.115 1.476 -4.962
9 H ASP 2 HN ASP 2 -7.455 7.228 -1.415
10 HA ASP 2 HA ASP 2 -4.899 8.014 -2.408
11 HB2 ASP 2 HB2 ASP 2 -5.079 9.900 -0.863
12 HB3 ASP 2 HB1 ASP 2 -6.582 9.679 -1.747
13 H LYS 3 HN LYS 3 -5.993 6.274 0.414
14 HA LYS 3 HA LYS 3 -3.658 6.594 1.966
15 HB2 LYS 3 HB2 LYS 3 -5.688 5.815 3.010
16 HB3 LYS 3 HB1 LYS 3 -5.742 4.407 1.963
17 HG2 LYS 3 HG2 LYS 3 -3.811 3.469 3.011
18 HG3 LYS 3 HG1 LYS 3 -3.546 4.938 3.948
19 HD2 LYS 3 HD2 LYS 3 -6.037 3.264 4.169
20 HD3 LYS 3 HD1 LYS 3 -4.621 3.029 5.193
21 HE2 LYS 3 HE2 LYS 3 -6.247 5.562 4.966
22 HE3 LYS 3 HE1 LYS 3 -6.301 4.412 6.300
23 HZ1 LYS 3 HZ1 LYS 3 -3.928 6.000 5.486
24 HZ2 LYS 3 HZ2 LYS 3 -3.981 4.896 6.763
25 HZ3 LYS 3 HZ3 LYS 3 -4.907 6.306 6.829
26 H CYS 4 HN CYS 4 -4.588 4.327 -0.535
27 HA CYS 4 HA CYS 4 -2.429 2.553 -0.335
28 HB2 CYS 4 HB2 CYS 4 -4.408 2.104 -1.721
29 HB3 CYS 4 HB1 CYS 4 -3.960 3.422 -2.797
30 H LYS 5 HN LYS 5 -2.811 5.623 -1.979
31 HA LYS 5 HA LYS 5 -0.314 5.633 -3.302
32 HB2 LYS 5 HB2 LYS 5 -2.155 7.071 -4.008
33 HB3 LYS 5 HB1 LYS 5 -2.113 7.914 -2.466
34 HG2 LYS 5 HG2 LYS 5 0.183 8.676 -3.006
35 HG3 LYS 5 HG1 LYS 5 0.011 7.935 -4.598
36 HD2 LYS 5 HD2 LYS 5 -1.903 9.367 -5.071
37 HD3 LYS 5 HD1 LYS 5 -1.764 10.095 -3.469
38 HE2 LYS 5 HE2 LYS 5 0.518 10.854 -4.071
39 HE3 LYS 5 HE1 LYS 5 0.261 10.232 -5.700
40 HZ1 LYS 5 HZ1 LYS 5 -0.177 12.588 -5.608
41 HZ2 LYS 5 HZ2 LYS 5 -1.315 12.371 -4.378
42 HZ3 LYS 5 HZ3 LYS 5 -1.615 11.755 -5.923
43 H GLU 6 HN GLU 6 -1.417 6.853 -0.165
44 HA GLU 6 HA GLU 6 1.047 8.130 0.474
45 HB2 GLU 6 HB2 GLU 6 -1.182 7.199 2.288
46 HB3 GLU 6 HB1 GLU 6 0.167 8.205 2.794
47 HG2 GLU 6 HG2 GLU 6 -0.595 9.841 1.000
48 HG3 GLU 6 HG1 GLU 6 -2.076 8.890 0.928
49 H LEU 7 HN LEU 7 -0.254 4.919 1.048
50 HA LEU 7 HA LEU 7 1.854 4.020 2.717
51 HB2 LEU 7 HB2 LEU 7 -0.056 2.531 0.920
52 HB3 LEU 7 HB1 LEU 7 1.080 1.738 1.993
53 HG LEU 7 HG LEU 7 -1.043 3.650 2.969
54 HD11 LEU 7 HD11 LEU 7 -1.131 0.636 2.845
55 HD12 LEU 7 HD12 LEU 7 -2.115 1.741 1.886
56 HD13 LEU 7 HD13 LEU 7 -2.317 1.674 3.635
57 HD21 LEU 7 HD21 LEU 7 0.866 3.332 4.461
58 HD22 LEU 7 HD22 LEU 7 0.640 1.584 4.383
59 HD23 LEU 7 HD23 LEU 7 -0.593 2.602 5.126
60 H LYS 8 HN LYS 8 1.279 3.877 -0.759
61 HA LYS 8 HA LYS 8 3.599 2.462 -1.464
62 HB2 LYS 8 HB2 LYS 8 1.593 2.878 -2.914
63 HB3 LYS 8 HB1 LYS 8 2.127 4.539 -3.100
64 HG2 LYS 8 HG2 LYS 8 3.891 2.247 -3.877
65 HG3 LYS 8 HG1 LYS 8 2.648 2.860 -4.965
66 HD2 LYS 8 HD2 LYS 8 3.666 5.104 -4.809
67 HD3 LYS 8 HD1 LYS 8 4.935 4.433 -3.785
68 HE2 LYS 8 HE2 LYS 8 5.693 4.638 -6.090
69 HE3 LYS 8 HE1 LYS 8 5.615 2.947 -5.601
70 HZ1 LYS 8 HZ1 LYS 8 4.707 3.325 -7.823
71 HZ2 LYS 8 HZ2 LYS 8 3.534 4.358 -7.176
72 HZ3 LYS 8 HZ3 LYS 8 3.536 2.721 -6.766
73 H LYS 9 HN LYS 9 2.965 5.920 -1.089
74 HA LYS 9 HA LYS 9 5.515 6.814 -1.887
75 HB2 LYS 9 HB2 LYS 9 3.582 8.310 -1.737
76 HB3 LYS 9 HB1 LYS 9 3.520 8.078 0.002
77 HG2 LYS 9 HG2 LYS 9 5.740 9.122 0.201
78 HG3 LYS 9 HG1 LYS 9 5.737 9.402 -1.541
79 HD2 LYS 9 HD2 LYS 9 3.786 10.824 -1.341
80 HD3 LYS 9 HD1 LYS 9 3.688 10.486 0.387
81 HE2 LYS 9 HE2 LYS 9 4.712 12.659 -0.019
82 HE3 LYS 9 HE1 LYS 9 5.864 11.551 0.719
83 HZ1 LYS 9 HZ1 LYS 9 6.863 12.817 -1.079
84 HZ2 LYS 9 HZ2 LYS 9 5.726 12.212 -2.171
85 HZ3 LYS 9 HZ3 LYS 9 6.841 11.169 -1.451
86 H ARG 10 HN ARG 10 4.161 5.989 1.268
87 HA ARG 10 HA ARG 10 6.384 6.764 2.814
88 HB2 ARG 10 HB2 ARG 10 4.223 6.502 3.830
89 HB3 ARG 10 HB1 ARG 10 4.148 4.813 3.352
90 HG2 ARG 10 HG2 ARG 10 5.997 4.294 4.856
91 HG3 ARG 10 HG1 ARG 10 6.087 5.994 5.329
92 HD2 ARG 10 HD2 ARG 10 3.981 5.919 6.381
93 HD3 ARG 10 HD1 ARG 10 3.569 4.384 5.624
94 HE ARG 10 HE ARG 10 5.834 3.942 7.177
95 HH11 ARG 10 HH11 ARG 10 2.386 4.203 9.217
96 HH12 ARG 10 HH12 ARG 10 2.523 4.943 7.657
97 HH21 ARG 10 HH21 ARG 10 5.665 2.962 9.234
98 HH22 ARG 10 HH22 ARG 10 4.178 3.073 10.119
99 H TYR 11 HN TYR 11 5.385 3.563 1.617
100 HA TYR 11 HA TYR 11 7.739 2.372 2.818
101 HB2 TYR 11 HB2 TYR 11 5.394 1.204 1.342
102 HB3 TYR 11 HB1 TYR 11 6.752 0.241 1.910
103 HD1 TYR 11 HD1 TYR 11 7.193 0.037 4.334
104 HD2 TYR 11 HD2 TYR 11 3.699 1.953 2.851
105 HE1 TYR 11 HE1 TYR 11 6.143 -0.184 6.543
106 HE2 TYR 11 HE2 TYR 11 2.641 1.737 5.058
107 HH TYR 11 HH TYR 11 4.371 0.890 7.859
108 H ORN 12 HT1 ORN 12 10.782 0.404 -4.922
109 HA ORN 12 HA ORN 12 10.470 1.346 -2.135
110 HB2 ORN 12 HB1 ORN 12 8.449 1.370 -4.388
111 HB3 ORN 12 HB2 ORN 12 9.419 2.768 -3.947
112 HG2 ORN 12 HG1 ORN 12 7.563 1.354 -2.050
113 HG3 ORN 12 HG2 ORN 12 7.112 2.762 -3.008
114 HD2 ORN 12 HD1 ORN 12 8.552 4.167 -1.854
115 HD3 ORN 12 HD2 ORN 12 9.539 2.837 -1.264
116 HE1 ORN 12 HE ORN 12 7.095 3.842 -0.094
117 H CYS 13 HN CYS 13 8.910 0.127 -0.908
118 HA CYS 13 HA CYS 13 8.911 -2.669 -1.436
119 HB2 CYS 13 HB2 CYS 13 7.249 -1.065 0.511
120 HB3 CYS 13 HB1 CYS 13 7.391 -2.816 0.505
121 H GLU 14 HN GLU 14 7.129 -4.006 -1.914
122 HA GLU 14 HA GLU 14 5.338 -2.823 -3.851
123 HB2 GLU 14 HB2 GLU 14 5.513 -5.680 -2.889
124 HB3 GLU 14 HB1 GLU 14 4.653 -5.116 -4.312
125 HG2 GLU 14 HG2 GLU 14 6.750 -4.508 -5.361
126 HG3 GLU 14 HG1 GLU 14 7.635 -5.003 -3.916
127 H VAL 15 HN VAL 15 3.861 -1.607 -2.730
128 HA VAL 15 HA VAL 15 2.378 -2.820 -0.554
129 HB VAL 15 HB VAL 15 1.976 -0.125 -1.867
130 HG11 VAL 15 HG11 VAL 15 0.868 -1.245 0.705
131 HG12 VAL 15 HG12 VAL 15 -0.043 -0.946 -0.776
132 HG13 VAL 15 HG13 VAL 15 0.649 0.405 0.123
133 HG21 VAL 15 HG21 VAL 15 3.450 -0.903 0.642
134 HG22 VAL 15 HG22 VAL 15 3.044 0.753 0.199
135 HG23 VAL 15 HG23 VAL 15 4.137 -0.190 -0.817
136 H ARG 16 HN ARG 16 1.132 -4.411 -1.303
137 HA ARG 16 HA ARG 16 -0.383 -4.073 -3.756
138 HB2 ARG 16 HB2 ARG 16 -0.357 -6.397 -1.828
139 HB3 ARG 16 HB1 ARG 16 -1.071 -6.388 -3.431
140 HG2 ARG 16 HG2 ARG 16 1.861 -6.107 -2.803
141 HG3 ARG 16 HG1 ARG 16 1.064 -7.554 -3.414
142 HD2 ARG 16 HD2 ARG 16 1.265 -4.899 -4.836
143 HD3 ARG 16 HD1 ARG 16 2.208 -6.341 -5.199
144 HE ARG 16 HE ARG 16 -0.731 -6.336 -5.454
145 HH11 ARG 16 HH11 ARG 16 2.459 -6.867 -6.813
146 HH12 ARG 16 HH12 ARG 16 1.847 -7.545 -8.288
147 HH21 ARG 16 HH21 ARG 16 -0.414 -7.735 -8.623
148 HH22 ARG 16 HH22 ARG 16 -1.525 -7.207 -7.398
149 H CYS 17 HN CYS 17 -2.147 -2.912 -3.640
150 HA CYS 17 HA CYS 17 -3.650 -2.796 -1.144
151 HB2 CYS 17 HB2 CYS 17 -3.881 -1.130 -3.656
152 HB3 CYS 17 HB1 CYS 17 -4.753 -0.843 -2.155
153 H ASP 18 HN ASP 18 -5.138 -4.326 -0.961
154 HA ASP 18 HA ASP 18 -6.930 -4.771 -3.260
155 HB2 ASP 18 HB2 ASP 18 -5.523 -6.771 -2.660
156 HB3 ASP 18 HB1 ASP 18 -6.315 -6.786 -1.089
157 HA DPR 19 HA DPR 19 -10.414 -3.694 -0.791
158 HB2 DPR 19 HB1 DPR 19 -10.339 -0.964 -1.014
159 HB3 DPR 19 HB2 DPR 19 -10.997 -2.052 -2.239
160 HG2 DPR 19 HG1 DPR 19 -8.320 -0.734 -2.109
161 HG3 DPR 19 HG2 DPR 19 -9.373 -0.994 -3.509
162 HD2 DPR 19 HD1 DPR 19 -7.221 -2.537 -3.038
163 HD3 DPR 19 HD2 DPR 19 -8.703 -3.191 -3.766
164 HA PRO 20 HA PRO 20 -9.236 -1.850 3.112
165 HB2 PRO 20 HB2 PRO 20 -10.130 -3.829 4.681
166 HB3 PRO 20 HB1 PRO 20 -11.241 -2.732 3.851
167 HG2 PRO 20 HG2 PRO 20 -10.409 -5.507 3.102
168 HG3 PRO 20 HG1 PRO 20 -12.024 -4.780 3.076
169 HD2 PRO 20 HD2 PRO 20 -10.448 -5.038 0.857
170 HD3 PRO 20 HD1 PRO 20 -11.669 -3.766 1.053
171 H ARG 21 HN ARG 21 -7.859 -4.467 1.525
172 HA ARG 21 HA ARG 21 -6.076 -5.097 3.775
173 HB2 ARG 21 HB2 ARG 21 -6.576 -6.595 1.200
174 HB3 ARG 21 HB1 ARG 21 -5.409 -7.073 2.423
175 HG2 ARG 21 HG2 ARG 21 -7.230 -7.315 4.048
176 HG3 ARG 21 HG1 ARG 21 -8.391 -6.886 2.792
177 HD2 ARG 21 HD2 ARG 21 -6.523 -9.255 2.729
178 HD3 ARG 21 HD1 ARG 21 -8.238 -9.316 3.129
179 HE ARG 21 HE ARG 21 -7.842 -8.129 0.576
180 HH11 ARG 21 HH11 ARG 21 -7.825 -11.221 2.222
181 HH12 ARG 21 HH12 ARG 21 -8.234 -12.123 0.801
182 HH21 ARG 21 HH21 ARG 21 -8.394 -9.308 -1.299
183 HH22 ARG 21 HH22 ARG 21 -8.567 -11.039 -1.198
184 H TYR 22 HN TYR 22 -3.955 -4.674 3.685
185 HA TYR 22 HA TYR 22 -2.813 -3.723 1.155
186 HB2 TYR 22 HB2 TYR 22 -2.384 -2.404 3.846
187 HB3 TYR 22 HB1 TYR 22 -1.638 -1.928 2.325
188 HD1 TYR 22 HD1 TYR 22 -2.978 -0.848 0.572
189 HD2 TYR 22 HD2 TYR 22 -4.643 -1.803 4.364
190 HE1 TYR 22 HE1 TYR 22 -4.874 0.644 0.109
191 HE2 TYR 22 HE2 TYR 22 -6.539 -0.314 3.913
192 HH TYR 22 HH TYR 22 -7.276 0.857 0.877
193 H GLU 23 HN GLU 23 -1.204 -5.024 0.663
194 HA GLU 23 HA GLU 23 0.279 -6.333 2.840
195 HB2 GLU 23 HB2 GLU 23 0.029 -7.078 -0.075
196 HB3 GLU 23 HB1 GLU 23 1.023 -7.932 1.091
197 HG2 GLU 23 HG2 GLU 23 -1.963 -7.624 1.279
198 HG3 GLU 23 HG1 GLU 23 -1.127 -9.040 0.645
199 H VAL 24 HN VAL 24 2.010 -5.167 3.350
200 HA VAL 24 HA VAL 24 3.486 -3.749 1.286
201 HB VAL 24 HB VAL 24 3.965 -3.887 4.271
202 HG11 VAL 24 HG11 VAL 24 6.022 -3.423 3.044
203 HG12 VAL 24 HG12 VAL 24 5.477 -1.993 3.919
204 HG13 VAL 24 HG13 VAL 24 5.221 -2.111 2.179
205 HG21 VAL 24 HG21 VAL 24 1.875 -2.763 3.715
206 HG22 VAL 24 HG22 VAL 24 2.723 -1.727 2.568
207 HG23 VAL 24 HG23 VAL 24 3.068 -1.599 4.293
208 H HIS 25 HN HIS 25 4.466 -5.293 0.080
209 HA HIS 25 HA HIS 25 6.165 -7.254 1.449
210 HB2 HIS 25 HB2 HIS 25 4.527 -8.109 -0.207
211 HB3 HIS 25 HB1 HIS 25 5.307 -7.146 -1.449
212 HD1 HIS 25 HD1 HIS 25 7.172 -8.234 -2.704
213 HD2 HIS 25 HD2 HIS 25 6.280 -10.207 0.854
214 HE1 HIS 25 HE1 HIS 25 8.584 -10.319 -2.702
215 HE2 HIS 25 HE2 HIS 25 7.857 -11.589 -0.655
216 H CYS 26 HN CYS 26 8.005 -6.150 1.923
217 HA CYS 26 HA CYS 26 9.331 -4.540 -0.071
218 HB2 CYS 26 HB2 CYS 26 10.256 -5.422 2.672
219 HB3 CYS 26 HB1 CYS 26 11.066 -4.238 1.652
220 HN1 NH2 27 HN1 NH2 27 9.662 -6.072 -1.701
221 HN2 NH2 27 HN2 NH2 27 10.854 -7.318 -1.574
Start of MODEL 6
1 H1 ASN 1 HT1 ASN 1 -8.505 4.593 -4.107
2 H2 ASN 1 HT2 ASN 1 -8.572 5.884 -5.192
3 H3 ASN 1 HT3 ASN 1 -9.886 5.565 -4.180
4 HA ASN 1 HA ASN 1 -8.629 7.457 -3.397
5 HB2 ASN 1 HB2 ASN 1 -8.578 4.942 -1.734
6 HB3 ASN 1 HB1 ASN 1 -8.057 6.489 -1.082
7 HD21 ASN 1 HD21 ASN 1 -10.006 8.080 -2.483
8 HD22 ASN 1 HD22 ASN 1 -11.538 7.744 -1.755
9 H ASP 2 HN ASP 2 -6.668 8.283 -2.498
10 HA ASP 2 HA ASP 2 -4.362 7.163 -3.853
11 HB2 ASP 2 HB2 ASP 2 -3.264 9.264 -3.351
12 HB3 ASP 2 HB1 ASP 2 -4.863 9.583 -4.002
13 H LYS 3 HN LYS 3 -5.649 6.166 -1.216
14 HA LYS 3 HA LYS 3 -3.782 6.426 0.861
15 HB2 LYS 3 HB2 LYS 3 -5.744 4.224 0.213
16 HB3 LYS 3 HB1 LYS 3 -4.753 4.217 1.662
17 HG2 LYS 3 HG2 LYS 3 -5.790 6.308 2.384
18 HG3 LYS 3 HG1 LYS 3 -6.781 6.318 0.925
19 HD2 LYS 3 HD2 LYS 3 -7.854 4.253 1.604
20 HD3 LYS 3 HD1 LYS 3 -6.804 4.147 3.020
21 HE2 LYS 3 HE2 LYS 3 -7.755 6.229 3.878
22 HE3 LYS 3 HE1 LYS 3 -8.796 6.341 2.462
23 HZ1 LYS 3 HZ1 LYS 3 -9.949 5.432 4.396
24 HZ2 LYS 3 HZ2 LYS 3 -8.862 4.138 4.454
25 HZ3 LYS 3 HZ3 LYS 3 -9.897 4.315 3.129
26 H CYS 4 HN CYS 4 -4.019 4.158 -1.812
27 HA CYS 4 HA CYS 4 -1.940 2.434 -1.055
28 HB2 CYS 4 HB2 CYS 4 -2.891 3.139 -3.836
29 HB3 CYS 4 HB1 CYS 4 -1.924 1.732 -3.408
30 H LYS 5 HN LYS 5 -1.967 5.484 -2.777
31 HA LYS 5 HA LYS 5 0.769 5.341 -3.595
32 HB2 LYS 5 HB2 LYS 5 -1.230 7.598 -3.523
33 HB3 LYS 5 HB1 LYS 5 0.423 7.809 -4.084
34 HG2 LYS 5 HG2 LYS 5 0.060 6.207 -5.859
35 HG3 LYS 5 HG1 LYS 5 -1.573 5.892 -5.272
36 HD2 LYS 5 HD2 LYS 5 -2.200 8.200 -5.736
37 HD3 LYS 5 HD1 LYS 5 -0.555 8.551 -6.274
38 HE2 LYS 5 HE2 LYS 5 -2.051 8.180 -8.169
39 HE3 LYS 5 HE1 LYS 5 -0.796 6.945 -8.092
40 HZ1 LYS 5 HZ1 LYS 5 -2.966 5.995 -8.572
41 HZ2 LYS 5 HZ2 LYS 5 -3.585 6.622 -7.131
42 HZ3 LYS 5 HZ3 LYS 5 -2.383 5.437 -7.086
43 H GLU 6 HN GLU 6 -0.989 6.810 -0.910
44 HA GLU 6 HA GLU 6 1.218 8.176 0.210
45 HB2 GLU 6 HB2 GLU 6 -1.316 7.111 1.461
46 HB3 GLU 6 HB1 GLU 6 -0.133 8.066 2.345
47 HG2 GLU 6 HG2 GLU 6 -1.648 8.965 -0.095
48 HG3 GLU 6 HG1 GLU 6 -1.997 9.426 1.569
49 H LEU 7 HN LEU 7 -0.140 4.960 0.788
50 HA LEU 7 HA LEU 7 1.761 4.167 2.720
51 HB2 LEU 7 HB2 LEU 7 0.036 2.568 0.836
52 HB3 LEU 7 HB1 LEU 7 1.022 1.847 2.091
53 HG LEU 7 HG LEU 7 -1.127 3.879 2.689
54 HD11 LEU 7 HD11 LEU 7 -2.566 2.007 3.298
55 HD12 LEU 7 HD12 LEU 7 -1.344 0.870 2.732
56 HD13 LEU 7 HD13 LEU 7 -2.145 1.945 1.587
57 HD21 LEU 7 HD21 LEU 7 -0.969 2.966 4.939
58 HD22 LEU 7 HD22 LEU 7 0.603 3.552 4.401
59 HD23 LEU 7 HD23 LEU 7 0.262 1.823 4.406
60 H LYS 8 HN LYS 8 1.643 3.864 -0.796
61 HA LYS 8 HA LYS 8 3.926 2.298 -1.160
62 HB2 LYS 8 HB2 LYS 8 2.261 2.849 -2.925
63 HB3 LYS 8 HB1 LYS 8 2.893 4.488 -2.969
64 HG2 LYS 8 HG2 LYS 8 5.075 3.610 -3.670
65 HG3 LYS 8 HG1 LYS 8 4.400 1.980 -3.672
66 HD2 LYS 8 HD2 LYS 8 2.712 2.749 -5.330
67 HD3 LYS 8 HD1 LYS 8 3.547 4.301 -5.395
68 HE2 LYS 8 HE2 LYS 8 4.726 1.615 -6.098
69 HE3 LYS 8 HE1 LYS 8 4.219 2.856 -7.243
70 HZ1 LYS 8 HZ1 LYS 8 6.597 2.910 -6.903
71 HZ2 LYS 8 HZ2 LYS 8 6.394 3.125 -5.240
72 HZ3 LYS 8 HZ3 LYS 8 5.900 4.331 -6.313
73 H LYS 9 HN LYS 9 3.555 5.821 -1.061
74 HA LYS 9 HA LYS 9 6.278 6.435 -1.410
75 HB2 LYS 9 HB2 LYS 9 4.541 8.108 -1.722
76 HB3 LYS 9 HB1 LYS 9 4.080 7.986 -0.031
77 HG2 LYS 9 HG2 LYS 9 5.378 9.980 -0.395
78 HG3 LYS 9 HG1 LYS 9 6.279 8.853 0.617
79 HD2 LYS 9 HD2 LYS 9 7.515 8.108 -1.404
80 HD3 LYS 9 HD1 LYS 9 6.676 9.354 -2.330
81 HE2 LYS 9 HE2 LYS 9 8.861 10.157 -1.691
82 HE3 LYS 9 HE1 LYS 9 7.623 11.065 -0.827
83 HZ1 LYS 9 HZ1 LYS 9 9.450 10.443 0.625
84 HZ2 LYS 9 HZ2 LYS 9 9.189 8.808 0.289
85 HZ3 LYS 9 HZ3 LYS 9 8.016 9.697 1.117
86 H ARG 10 HN ARG 10 4.311 5.907 1.465
87 HA ARG 10 HA ARG 10 6.212 6.590 3.401
88 HB2 ARG 10 HB2 ARG 10 3.855 6.349 3.915
89 HB3 ARG 10 HB1 ARG 10 3.911 4.640 3.515
90 HG2 ARG 10 HG2 ARG 10 5.411 4.239 5.397
91 HG3 ARG 10 HG1 ARG 10 5.351 5.961 5.803
92 HD2 ARG 10 HD2 ARG 10 2.991 5.831 6.236
93 HD3 ARG 10 HD1 ARG 10 2.932 4.168 5.664
94 HE ARG 10 HE ARG 10 4.738 4.268 7.788
95 HH11 ARG 10 HH11 ARG 10 0.847 4.242 8.791
96 HH12 ARG 10 HH12 ARG 10 1.330 4.782 7.214
97 HH21 ARG 10 HH21 ARG 10 4.113 3.562 9.880
98 HH22 ARG 10 HH22 ARG 10 2.434 3.553 10.309
99 H TYR 11 HN TYR 11 5.466 3.468 1.887
100 HA TYR 11 HA TYR 11 7.565 2.178 3.420
101 HB2 TYR 11 HB2 TYR 11 5.512 1.180 1.470
102 HB3 TYR 11 HB1 TYR 11 6.821 0.155 2.040
103 HD1 TYR 11 HD1 TYR 11 6.835 -0.735 4.251
104 HD2 TYR 11 HD2 TYR 11 3.782 1.979 3.055
105 HE1 TYR 11 HE1 TYR 11 5.550 -1.300 6.267
106 HE2 TYR 11 HE2 TYR 11 2.491 1.419 5.067
107 HH TYR 11 HH TYR 11 2.281 -0.362 6.687
108 H ORN 12 HT1 ORN 12 12.424 0.382 -2.665
109 HA ORN 12 HA ORN 12 10.954 1.527 -1.174
110 HB2 ORN 12 HB1 ORN 12 9.488 2.405 -3.674
111 HB3 ORN 12 HB2 ORN 12 10.552 3.451 -2.744
112 HG2 ORN 12 HG1 ORN 12 8.115 2.104 -1.610
113 HG3 ORN 12 HG2 ORN 12 8.129 3.742 -2.258
114 HD2 ORN 12 HD1 ORN 12 9.432 4.554 -0.543
115 HD3 ORN 12 HD2 ORN 12 10.114 2.978 -0.173
116 HE1 ORN 12 HE ORN 12 7.571 4.035 0.752
117 H CYS 13 HN CYS 13 9.125 0.398 -0.423
118 HA CYS 13 HA CYS 13 8.707 -2.133 -1.749
119 HB2 CYS 13 HB2 CYS 13 7.385 -1.070 0.745
120 HB3 CYS 13 HB1 CYS 13 7.435 -2.744 0.215
121 H GLU 14 HN GLU 14 6.869 -2.843 -2.695
122 HA GLU 14 HA GLU 14 5.011 -0.781 -3.570
123 HB2 GLU 14 HB2 GLU 14 5.355 -3.667 -4.399
124 HB3 GLU 14 HB1 GLU 14 4.199 -2.553 -5.116
125 HG2 GLU 14 HG2 GLU 14 7.193 -2.236 -5.154
126 HG3 GLU 14 HG1 GLU 14 6.200 -2.813 -6.489
127 H VAL 15 HN VAL 15 2.971 -0.615 -2.842
128 HA VAL 15 HA VAL 15 2.140 -2.557 -0.813
129 HB VAL 15 HB VAL 15 1.053 0.208 -1.356
130 HG11 VAL 15 HG11 VAL 15 -0.057 -0.049 0.821
131 HG12 VAL 15 HG12 VAL 15 0.520 -1.714 0.907
132 HG13 VAL 15 HG13 VAL 15 -0.620 -1.239 -0.353
133 HG21 VAL 15 HG21 VAL 15 3.318 0.343 -0.542
134 HG22 VAL 15 HG22 VAL 15 2.956 -0.789 0.755
135 HG23 VAL 15 HG23 VAL 15 2.211 0.808 0.749
136 H ARG 16 HN ARG 16 0.756 -4.041 -1.382
137 HA ARG 16 HA ARG 16 -0.852 -3.698 -3.791
138 HB2 ARG 16 HB2 ARG 16 -0.404 -6.132 -2.054
139 HB3 ARG 16 HB1 ARG 16 -1.304 -6.110 -3.562
140 HG2 ARG 16 HG2 ARG 16 0.717 -5.509 -4.778
141 HG3 ARG 16 HG1 ARG 16 1.628 -5.487 -3.268
142 HD2 ARG 16 HD2 ARG 16 1.997 -7.578 -4.439
143 HD3 ARG 16 HD1 ARG 16 1.116 -7.865 -2.939
144 HE ARG 16 HE ARG 16 -0.551 -7.554 -5.278
145 HH11 ARG 16 HH11 ARG 16 1.204 -9.797 -3.247
146 HH12 ARG 16 HH12 ARG 16 0.255 -11.168 -3.723
147 HH21 ARG 16 HH21 ARG 16 -1.454 -10.920 -5.239
148 HH22 ARG 16 HH22 ARG 16 -1.812 -9.357 -5.899
149 H CYS 17 HN CYS 17 -2.763 -2.801 -3.528
150 HA CYS 17 HA CYS 17 -4.135 -3.006 -0.975
151 HB2 CYS 17 HB2 CYS 17 -4.825 -1.426 -3.457
152 HB3 CYS 17 HB1 CYS 17 -5.644 -1.301 -1.903
153 H ASP 18 HN ASP 18 -5.515 -4.570 -0.631
154 HA ASP 18 HA ASP 18 -7.246 -5.457 -2.844
155 HB2 ASP 18 HB2 ASP 18 -5.555 -7.201 -2.180
156 HB3 ASP 18 HB1 ASP 18 -6.272 -7.210 -0.575
157 HA DPR 19 HA DPR 19 -10.706 -4.752 -0.157
158 HB2 DPR 19 HB1 DPR 19 -11.235 -2.152 -0.826
159 HB3 DPR 19 HB2 DPR 19 -11.754 -3.549 -1.773
160 HG2 DPR 19 HG1 DPR 19 -9.440 -1.714 -2.199
161 HG3 DPR 19 HG2 DPR 19 -10.517 -2.456 -3.393
162 HD2 DPR 19 HD1 DPR 19 -8.014 -3.375 -2.898
163 HD3 DPR 19 HD2 DPR 19 -9.344 -4.440 -3.402
164 HA PRO 20 HA PRO 20 -9.404 -1.987 3.149
165 HB2 PRO 20 HB2 PRO 20 -10.002 -3.622 5.179
166 HB3 PRO 20 HB1 PRO 20 -11.268 -2.803 4.256
167 HG2 PRO 20 HG2 PRO 20 -10.302 -5.624 4.059
168 HG3 PRO 20 HG1 PRO 20 -11.959 -5.004 3.997
169 HD2 PRO 20 HD2 PRO 20 -10.464 -5.681 1.782
170 HD3 PRO 20 HD1 PRO 20 -11.822 -4.541 1.768
171 H ARG 21 HN ARG 21 -7.984 -4.757 1.943
172 HA ARG 21 HA ARG 21 -6.020 -4.987 4.105
173 HB2 ARG 21 HB2 ARG 21 -6.327 -6.664 1.611
174 HB3 ARG 21 HB1 ARG 21 -5.244 -6.992 2.953
175 HG2 ARG 21 HG2 ARG 21 -7.181 -7.303 4.423
176 HG3 ARG 21 HG1 ARG 21 -8.253 -7.005 3.054
177 HD2 ARG 21 HD2 ARG 21 -8.061 -9.375 3.356
178 HD3 ARG 21 HD1 ARG 21 -7.201 -8.929 1.885
179 HE ARG 21 HE ARG 21 -5.959 -9.704 4.443
180 HH11 ARG 21 HH11 ARG 21 -5.702 -9.107 0.997
181 HH12 ARG 21 HH12 ARG 21 -4.110 -9.797 0.862
182 HH21 ARG 21 HH21 ARG 21 -3.888 -10.641 4.264
183 HH22 ARG 21 HH22 ARG 21 -3.096 -10.693 2.721
184 H TYR 22 HN TYR 22 -3.899 -4.501 3.855
185 HA TYR 22 HA TYR 22 -2.995 -3.566 1.221
186 HB2 TYR 22 HB2 TYR 22 -2.344 -2.230 3.858
187 HB3 TYR 22 HB1 TYR 22 -1.744 -1.753 2.276
188 HD1 TYR 22 HD1 TYR 22 -3.257 -0.724 0.634
189 HD2 TYR 22 HD2 TYR 22 -4.540 -1.624 4.585
190 HE1 TYR 22 HE1 TYR 22 -5.184 0.763 0.338
191 HE2 TYR 22 HE2 TYR 22 -6.473 -0.139 4.303
192 HH TYR 22 HH TYR 22 -7.449 1.058 1.293
193 H GLU 23 HN GLU 23 -1.551 -5.025 0.629
194 HA GLU 23 HA GLU 23 0.150 -6.257 2.671
195 HB2 GLU 23 HB2 GLU 23 -0.447 -7.066 -0.170
196 HB3 GLU 23 HB1 GLU 23 0.692 -7.899 0.874
197 HG2 GLU 23 HG2 GLU 23 -1.134 -8.379 2.449
198 HG3 GLU 23 HG1 GLU 23 -2.267 -7.608 1.338
199 H VAL 24 HN VAL 24 2.048 -5.336 2.961
200 HA VAL 24 HA VAL 24 3.224 -3.751 0.849
201 HB VAL 24 HB VAL 24 4.957 -3.147 2.484
202 HG11 VAL 24 HG11 VAL 24 3.520 -1.930 4.036
203 HG12 VAL 24 HG12 VAL 24 2.160 -2.964 3.600
204 HG13 VAL 24 HG13 VAL 24 2.865 -1.885 2.400
205 HG21 VAL 24 HG21 VAL 24 5.069 -5.271 3.707
206 HG22 VAL 24 HG22 VAL 24 3.476 -4.955 4.394
207 HG23 VAL 24 HG23 VAL 24 4.833 -3.902 4.793
208 H HIS 25 HN HIS 25 4.625 -4.463 -0.570
209 HA HIS 25 HA HIS 25 6.106 -6.929 0.036
210 HB2 HIS 25 HB2 HIS 25 4.279 -7.355 -1.573
211 HB3 HIS 25 HB1 HIS 25 4.947 -6.126 -2.638
212 HD1 HIS 25 HD1 HIS 25 6.839 -6.810 -4.171
213 HD2 HIS 25 HD2 HIS 25 5.875 -9.734 -1.381
214 HE1 HIS 25 HE1 HIS 25 8.139 -8.849 -4.850
215 HE2 HIS 25 HE2 HIS 25 7.436 -10.641 -3.231
216 H CYS 26 HN CYS 26 8.157 -6.399 0.272
217 HA CYS 26 HA CYS 26 9.276 -4.168 -1.228
218 HB2 CYS 26 HB2 CYS 26 10.555 -5.879 0.915
219 HB3 CYS 26 HB1 CYS 26 11.177 -4.360 0.276
220 HN1 NH2 27 HN1 NH2 27 9.369 -5.067 -3.273
221 HN2 NH2 27 HN2 NH2 27 10.477 -6.326 -3.699
Start of MODEL 7
1 H1 ASN 1 HT1 ASN 1 -7.888 5.786 -5.359
2 H2 ASN 1 HT2 ASN 1 -8.795 4.372 -5.191
3 H3 ASN 1 HT3 ASN 1 -7.127 4.280 -5.436
4 HA ASN 1 HA ASN 1 -8.455 5.440 -3.065
5 HB2 ASN 1 HB2 ASN 1 -8.687 3.021 -3.095
6 HB3 ASN 1 HB1 ASN 1 -6.974 2.831 -3.451
7 HD21 ASN 1 HD21 ASN 1 -9.334 3.568 -1.011
8 HD22 ASN 1 HD22 ASN 1 -8.253 3.452 0.338
9 H ASP 2 HN ASP 2 -7.239 6.929 -2.090
10 HA ASP 2 HA ASP 2 -4.587 7.450 -3.050
11 HB2 ASP 2 HB2 ASP 2 -4.607 9.394 -1.606
12 HB3 ASP 2 HB1 ASP 2 -6.133 9.283 -2.467
13 H LYS 3 HN LYS 3 -5.868 5.672 -0.383
14 HA LYS 3 HA LYS 3 -3.729 5.834 1.412
15 HB2 LYS 3 HB2 LYS 3 -5.814 3.766 0.877
16 HB3 LYS 3 HB1 LYS 3 -4.450 3.336 1.894
17 HG2 LYS 3 HG2 LYS 3 -6.226 4.013 3.305
18 HG3 LYS 3 HG1 LYS 3 -5.005 5.281 3.341
19 HD2 LYS 3 HD2 LYS 3 -6.320 6.603 1.768
20 HD3 LYS 3 HD1 LYS 3 -7.532 5.321 1.697
21 HE2 LYS 3 HE2 LYS 3 -8.219 7.123 3.210
22 HE3 LYS 3 HE1 LYS 3 -7.995 5.601 4.072
23 HZ1 LYS 3 HZ1 LYS 3 -7.036 7.471 5.271
24 HZ2 LYS 3 HZ2 LYS 3 -6.021 7.818 3.964
25 HZ3 LYS 3 HZ3 LYS 3 -5.837 6.369 4.815
26 H CYS 4 HN CYS 4 -4.237 3.803 -1.414
27 HA CYS 4 HA CYS 4 -2.004 2.163 -1.228
28 HB2 CYS 4 HB2 CYS 4 -3.321 3.320 -3.692
29 HB3 CYS 4 HB1 CYS 4 -2.169 1.988 -3.705
30 H LYS 5 HN LYS 5 -2.341 5.387 -2.604
31 HA LYS 5 HA LYS 5 0.298 5.544 -3.635
32 HB2 LYS 5 HB2 LYS 5 -1.613 6.890 -4.474
33 HB3 LYS 5 HB1 LYS 5 -1.635 7.770 -2.953
34 HG2 LYS 5 HG2 LYS 5 0.674 8.533 -3.422
35 HG3 LYS 5 HG1 LYS 5 0.569 7.751 -5.000
36 HD2 LYS 5 HD2 LYS 5 -1.361 9.164 -5.558
37 HD3 LYS 5 HD1 LYS 5 -1.222 9.960 -3.989
38 HE2 LYS 5 HE2 LYS 5 1.036 10.718 -4.592
39 HE3 LYS 5 HE1 LYS 5 0.866 9.948 -6.166
40 HZ1 LYS 5 HZ1 LYS 5 0.409 12.300 -6.303
41 HZ2 LYS 5 HZ2 LYS 5 -0.797 12.176 -5.128
42 HZ3 LYS 5 HZ3 LYS 5 -1.001 11.425 -6.628
43 H GLU 6 HN GLU 6 -1.241 6.535 -0.635
44 HA GLU 6 HA GLU 6 1.000 8.021 0.323
45 HB2 GLU 6 HB2 GLU 6 -1.473 6.963 1.680
46 HB3 GLU 6 HB1 GLU 6 -0.259 7.930 2.508
47 HG2 GLU 6 HG2 GLU 6 -1.804 8.811 0.080
48 HG3 GLU 6 HG1 GLU 6 -2.187 9.251 1.741
49 H LEU 7 HN LEU 7 -0.152 4.728 0.760
50 HA LEU 7 HA LEU 7 1.808 4.011 2.699
51 HB2 LEU 7 HB2 LEU 7 0.152 2.341 0.809
52 HB3 LEU 7 HB1 LEU 7 1.176 1.669 2.061
53 HG LEU 7 HG LEU 7 -1.122 3.548 2.620
54 HD11 LEU 7 HD11 LEU 7 -2.379 1.576 3.307
55 HD12 LEU 7 HD12 LEU 7 -1.052 0.538 2.786
56 HD13 LEU 7 HD13 LEU 7 -1.950 1.485 1.599
57 HD21 LEU 7 HD21 LEU 7 0.619 3.461 4.351
58 HD22 LEU 7 HD22 LEU 7 0.443 1.708 4.427
59 HD23 LEU 7 HD23 LEU 7 -0.894 2.750 4.906
60 H LYS 8 HN LYS 8 1.580 3.805 -0.810
61 HA LYS 8 HA LYS 8 4.060 2.555 -1.282
62 HB2 LYS 8 HB2 LYS 8 2.205 2.908 -2.948
63 HB3 LYS 8 HB1 LYS 8 2.669 4.599 -3.023
64 HG2 LYS 8 HG2 LYS 8 4.895 3.923 -3.835
65 HG3 LYS 8 HG1 LYS 8 4.358 2.242 -3.828
66 HD2 LYS 8 HD2 LYS 8 4.142 3.089 -6.065
67 HD3 LYS 8 HD1 LYS 8 2.525 2.890 -5.389
68 HE2 LYS 8 HE2 LYS 8 2.450 5.283 -4.874
69 HE3 LYS 8 HE1 LYS 8 4.063 5.480 -5.555
70 HZ1 LYS 8 HZ1 LYS 8 3.190 4.756 -7.698
71 HZ2 LYS 8 HZ2 LYS 8 2.377 6.126 -7.138
72 HZ3 LYS 8 HZ3 LYS 8 1.641 4.608 -7.034
73 H LYS 9 HN LYS 9 3.114 5.869 -0.694
74 HA LYS 9 HA LYS 9 5.601 7.101 -1.220
75 HB2 LYS 9 HB2 LYS 9 3.367 8.238 -1.022
76 HB3 LYS 9 HB1 LYS 9 3.457 7.992 0.713
77 HG2 LYS 9 HG2 LYS 9 4.099 10.233 0.203
78 HG3 LYS 9 HG1 LYS 9 5.522 9.349 0.756
79 HD2 LYS 9 HD2 LYS 9 6.330 9.117 -1.483
80 HD3 LYS 9 HD1 LYS 9 4.827 9.758 -2.147
81 HE2 LYS 9 HE2 LYS 9 6.759 11.289 -0.410
82 HE3 LYS 9 HE1 LYS 9 6.658 11.409 -2.165
83 HZ1 LYS 9 HZ1 LYS 9 4.389 12.212 -1.940
84 HZ2 LYS 9 HZ2 LYS 9 5.459 13.204 -1.089
85 HZ3 LYS 9 HZ3 LYS 9 4.487 12.101 -0.256
86 H ARG 10 HN ARG 10 4.116 5.803 1.709
87 HA ARG 10 HA ARG 10 6.157 6.616 3.491
88 HB2 ARG 10 HB2 ARG 10 3.923 6.101 4.287
89 HB3 ARG 10 HB1 ARG 10 4.074 4.441 3.738
90 HG2 ARG 10 HG2 ARG 10 5.908 4.095 5.344
91 HG3 ARG 10 HG1 ARG 10 5.681 5.748 5.924
92 HD2 ARG 10 HD2 ARG 10 3.490 5.239 6.730
93 HD3 ARG 10 HD1 ARG 10 3.506 3.660 5.948
94 HE ARG 10 HE ARG 10 5.642 3.581 7.639
95 HH11 ARG 10 HH11 ARG 10 2.191 3.662 9.688
96 HH12 ARG 10 HH12 ARG 10 2.241 4.292 8.072
97 HH21 ARG 10 HH21 ARG 10 5.573 2.758 9.768
98 HH22 ARG 10 HH22 ARG 10 4.074 2.789 10.649
99 H TYR 11 HN TYR 11 5.446 3.470 1.982
100 HA TYR 11 HA TYR 11 7.748 2.306 3.285
101 HB2 TYR 11 HB2 TYR 11 5.648 1.153 1.460
102 HB3 TYR 11 HB1 TYR 11 6.989 0.217 2.110
103 HD1 TYR 11 HD1 TYR 11 7.144 -0.205 4.551
104 HD2 TYR 11 HD2 TYR 11 3.773 1.727 2.817
105 HE1 TYR 11 HE1 TYR 11 5.846 -0.645 6.589
106 HE2 TYR 11 HE2 TYR 11 2.469 1.296 4.858
107 HH TYR 11 HH TYR 11 2.446 -0.164 6.769
108 H ORN 12 HT1 ORN 12 12.589 0.648 -2.527
109 HA ORN 12 HA ORN 12 10.904 1.697 -1.185
110 HB2 ORN 12 HB1 ORN 12 9.416 2.156 -3.778
111 HB3 ORN 12 HB2 ORN 12 10.363 3.410 -2.992
112 HG2 ORN 12 HG1 ORN 12 8.100 1.955 -1.646
113 HG3 ORN 12 HG2 ORN 12 7.902 3.472 -2.525
114 HD2 ORN 12 HD1 ORN 12 9.051 4.684 -0.964
115 HD3 ORN 12 HD2 ORN 12 10.011 3.310 -0.440
116 HE1 ORN 12 HE ORN 12 7.444 4.119 0.580
117 H CYS 13 HN CYS 13 9.134 0.424 -0.488
118 HA CYS 13 HA CYS 13 9.027 -2.232 -1.568
119 HB2 CYS 13 HB2 CYS 13 7.237 -0.947 0.502
120 HB3 CYS 13 HB1 CYS 13 7.426 -2.671 0.210
121 H GLU 14 HN GLU 14 7.020 -3.266 -2.233
122 HA GLU 14 HA GLU 14 5.289 -1.405 -3.708
123 HB2 GLU 14 HB2 GLU 14 5.821 -4.344 -4.174
124 HB3 GLU 14 HB1 GLU 14 4.699 -3.364 -5.110
125 HG2 GLU 14 HG2 GLU 14 6.664 -1.894 -5.689
126 HG3 GLU 14 HG1 GLU 14 7.688 -3.143 -4.985
127 H VAL 15 HN VAL 15 3.412 -1.042 -2.768
128 HA VAL 15 HA VAL 15 2.359 -3.044 -0.931
129 HB VAL 15 HB VAL 15 0.855 -1.391 -0.078
130 HG11 VAL 15 HG11 VAL 15 2.383 0.279 0.775
131 HG12 VAL 15 HG12 VAL 15 3.534 -0.081 -0.513
132 HG13 VAL 15 HG13 VAL 15 3.177 -1.294 0.714
133 HG21 VAL 15 HG21 VAL 15 0.198 -0.312 -2.148
134 HG22 VAL 15 HG22 VAL 15 1.793 0.430 -2.288
135 HG23 VAL 15 HG23 VAL 15 0.722 0.886 -0.962
136 H ARG 16 HN ARG 16 0.613 -4.211 -1.307
137 HA ARG 16 HA ARG 16 -0.762 -3.828 -3.875
138 HB2 ARG 16 HB2 ARG 16 0.226 -5.980 -3.825
139 HB3 ARG 16 HB1 ARG 16 -0.284 -6.261 -2.167
140 HG2 ARG 16 HG2 ARG 16 -2.621 -6.316 -2.921
141 HG3 ARG 16 HG1 ARG 16 -2.065 -6.119 -4.583
142 HD2 ARG 16 HD2 ARG 16 -1.062 -8.222 -4.623
143 HD3 ARG 16 HD1 ARG 16 -1.059 -8.356 -2.863
144 HE ARG 16 HE ARG 16 -3.598 -8.405 -3.133
145 HH11 ARG 16 HH11 ARG 16 -1.373 -9.710 -5.512
146 HH12 ARG 16 HH12 ARG 16 -2.501 -10.892 -6.092
147 HH21 ARG 16 HH21 ARG 16 -4.611 -11.024 -5.170
148 HH22 ARG 16 HH22 ARG 16 -5.068 -9.934 -3.900
149 H CYS 17 HN CYS 17 -2.864 -3.342 -3.891
150 HA CYS 17 HA CYS 17 -4.130 -3.011 -1.278
151 HB2 CYS 17 HB2 CYS 17 -4.914 -1.814 -3.936
152 HB3 CYS 17 HB1 CYS 17 -5.534 -1.356 -2.353
153 H ASP 18 HN ASP 18 -5.497 -4.512 -0.683
154 HA ASP 18 HA ASP 18 -7.373 -5.585 -2.682
155 HB2 ASP 18 HB2 ASP 18 -6.165 -6.978 -0.285
156 HB3 ASP 18 HB1 ASP 18 -7.574 -7.588 -1.139
157 HA DPR 19 HA DPR 19 -10.725 -4.114 -0.152
158 HB2 DPR 19 HB1 DPR 19 -10.173 -1.454 -1.312
159 HB3 DPR 19 HB2 DPR 19 -11.662 -2.402 -1.323
160 HG2 DPR 19 HG1 DPR 19 -10.178 -2.142 -3.527
161 HG3 DPR 19 HG2 DPR 19 -11.001 -3.664 -3.146
162 HD2 DPR 19 HD1 DPR 19 -8.115 -2.937 -2.835
163 HD3 DPR 19 HD2 DPR 19 -8.846 -4.467 -3.362
164 HA PRO 20 HA PRO 20 -9.168 -1.392 3.054
165 HB2 PRO 20 HB2 PRO 20 -9.903 -2.882 5.148
166 HB3 PRO 20 HB1 PRO 20 -11.098 -2.031 4.163
167 HG2 PRO 20 HG2 PRO 20 -10.295 -4.913 4.094
168 HG3 PRO 20 HG1 PRO 20 -11.918 -4.204 4.017
169 HD2 PRO 20 HD2 PRO 20 -10.513 -5.046 1.816
170 HD3 PRO 20 HD1 PRO 20 -11.759 -3.783 1.776
171 H ARG 21 HN ARG 21 -7.887 -4.281 1.994
172 HA ARG 21 HA ARG 21 -5.892 -4.382 4.157
173 HB2 ARG 21 HB2 ARG 21 -6.687 -6.449 2.107
174 HB3 ARG 21 HB1 ARG 21 -5.318 -6.629 3.196
175 HG2 ARG 21 HG2 ARG 21 -6.799 -6.546 5.113
176 HG3 ARG 21 HG1 ARG 21 -8.186 -6.296 4.048
177 HD2 ARG 21 HD2 ARG 21 -7.816 -8.461 3.022
178 HD3 ARG 21 HD1 ARG 21 -6.375 -8.705 4.005
179 HE ARG 21 HE ARG 21 -8.386 -8.294 5.813
180 HH11 ARG 21 HH11 ARG 21 -7.864 -10.501 3.155
181 HH12 ARG 21 HH12 ARG 21 -8.731 -11.809 3.895
182 HH21 ARG 21 HH21 ARG 21 -9.541 -10.019 6.801
183 HH22 ARG 21 HH22 ARG 21 -9.671 -11.538 5.974
184 H TYR 22 HN TYR 22 -3.713 -4.341 3.687
185 HA TYR 22 HA TYR 22 -2.934 -3.768 0.921
186 HB2 TYR 22 HB2 TYR 22 -2.117 -2.078 3.297
187 HB3 TYR 22 HB1 TYR 22 -1.569 -1.865 1.637
188 HD1 TYR 22 HD1 TYR 22 -3.032 -0.901 -0.041
189 HD2 TYR 22 HD2 TYR 22 -4.350 -1.421 3.967
190 HE1 TYR 22 HE1 TYR 22 -4.917 0.608 -0.477
191 HE2 TYR 22 HE2 TYR 22 -6.240 0.089 3.547
192 HH TYR 22 HH TYR 22 -6.816 1.929 1.993
193 H GLU 23 HN GLU 23 -1.492 -5.256 0.443
194 HA GLU 23 HA GLU 23 0.144 -6.447 2.540
195 HB2 GLU 23 HB2 GLU 23 -0.216 -7.191 -0.366
196 HB3 GLU 23 HB1 GLU 23 0.793 -8.070 0.770
197 HG2 GLU 23 HG2 GLU 23 -2.189 -7.705 0.975
198 HG3 GLU 23 HG1 GLU 23 -1.355 -9.164 0.446
199 H VAL 24 HN VAL 24 2.020 -5.534 2.980
200 HA VAL 24 HA VAL 24 3.302 -3.819 1.018
201 HB VAL 24 HB VAL 24 4.058 -4.354 3.896
202 HG11 VAL 24 HG11 VAL 24 5.018 -2.240 1.971
203 HG12 VAL 24 HG12 VAL 24 5.959 -3.597 2.588
204 HG13 VAL 24 HG13 VAL 24 5.424 -2.323 3.684
205 HG21 VAL 24 HG21 VAL 24 2.532 -2.062 2.666
206 HG22 VAL 24 HG22 VAL 24 3.075 -2.141 4.341
207 HG23 VAL 24 HG23 VAL 24 1.878 -3.293 3.746
208 H HIS 25 HN HIS 25 4.485 -4.870 -0.430
209 HA HIS 25 HA HIS 25 6.114 -7.151 0.416
210 HB2 HIS 25 HB2 HIS 25 5.070 -6.207 -2.228
211 HB3 HIS 25 HB1 HIS 25 6.469 -7.267 -2.172
212 HD1 HIS 25 HD1 HIS 25 5.901 -9.667 -2.321
213 HD2 HIS 25 HD2 HIS 25 2.809 -7.453 -0.642
214 HE1 HIS 25 HE1 HIS 25 4.033 -11.302 -1.931
215 HE2 HIS 25 HE2 HIS 25 2.258 -9.979 -0.737
216 H CYS 26 HN CYS 26 7.943 -6.407 1.278
217 HA CYS 26 HA CYS 26 9.448 -4.327 -0.130
218 HB2 CYS 26 HB2 CYS 26 9.795 -5.531 2.623
219 HB3 CYS 26 HB1 CYS 26 10.865 -4.318 1.931
220 HN1 NH2 27 HN1 NH2 27 9.987 -5.803 -1.844
221 HN2 NH2 27 HN2 NH2 27 11.255 -6.960 -1.633
Start of MODEL 8
1 H1 ASN 1 HT1 ASN 1 -8.239 4.488 -4.394
2 H2 ASN 1 HT2 ASN 1 -8.178 5.813 -5.436
3 H3 ASN 1 HT3 ASN 1 -9.623 5.423 -4.657
4 HA ASN 1 HA ASN 1 -8.595 7.318 -3.621
5 HB2 ASN 1 HB2 ASN 1 -9.891 5.623 -2.282
6 HB3 ASN 1 HB1 ASN 1 -8.361 4.863 -1.866
7 HD21 ASN 1 HD21 ASN 1 -10.407 7.631 -1.403
8 HD22 ASN 1 HD22 ASN 1 -9.560 8.280 -0.040
9 H ASP 2 HN ASP 2 -6.803 8.097 -2.266
10 HA ASP 2 HA ASP 2 -4.322 7.271 -3.532
11 HB2 ASP 2 HB2 ASP 2 -5.060 9.687 -1.896
12 HB3 ASP 2 HB1 ASP 2 -3.418 9.365 -2.432
13 H LYS 3 HN LYS 3 -5.789 6.126 -0.933
14 HA LYS 3 HA LYS 3 -3.928 6.283 1.150
15 HB2 LYS 3 HB2 LYS 3 -6.194 5.399 1.453
16 HB3 LYS 3 HB1 LYS 3 -5.808 4.025 0.430
17 HG2 LYS 3 HG2 LYS 3 -5.740 3.340 2.719
18 HG3 LYS 3 HG1 LYS 3 -4.099 3.330 2.071
19 HD2 LYS 3 HD2 LYS 3 -3.690 5.512 3.118
20 HD3 LYS 3 HD1 LYS 3 -5.327 5.493 3.779
21 HE2 LYS 3 HE2 LYS 3 -4.777 3.432 5.009
22 HE3 LYS 3 HE1 LYS 3 -3.130 3.519 4.387
23 HZ1 LYS 3 HZ1 LYS 3 -2.903 5.680 5.498
24 HZ2 LYS 3 HZ2 LYS 3 -3.219 4.428 6.589
25 HZ3 LYS 3 HZ3 LYS 3 -4.452 5.501 6.155
26 H CYS 4 HN CYS 4 -4.246 4.001 -1.528
27 HA CYS 4 HA CYS 4 -2.101 2.325 -0.916
28 HB2 CYS 4 HB2 CYS 4 -3.239 3.127 -3.593
29 HB3 CYS 4 HB1 CYS 4 -2.073 1.830 -3.371
30 H LYS 5 HN LYS 5 -2.228 5.361 -2.676
31 HA LYS 5 HA LYS 5 0.430 5.351 -3.608
32 HB2 LYS 5 HB2 LYS 5 -1.288 6.772 -4.595
33 HB3 LYS 5 HB1 LYS 5 -1.465 7.647 -3.082
34 HG2 LYS 5 HG2 LYS 5 0.854 8.442 -3.300
35 HG3 LYS 5 HG1 LYS 5 0.967 7.614 -4.854
36 HD2 LYS 5 HD2 LYS 5 -0.857 8.981 -5.723
37 HD3 LYS 5 HD1 LYS 5 -0.995 9.799 -4.166
38 HE2 LYS 5 HE2 LYS 5 0.262 11.162 -5.742
39 HE3 LYS 5 HE1 LYS 5 1.291 10.640 -4.411
40 HZ1 LYS 5 HZ1 LYS 5 2.358 10.453 -6.605
41 HZ2 LYS 5 HZ2 LYS 5 1.188 9.323 -7.068
42 HZ3 LYS 5 HZ3 LYS 5 2.254 8.965 -5.807
43 H GLU 6 HN GLU 6 -1.087 6.787 -0.739
44 HA GLU 6 HA GLU 6 1.241 8.070 0.208
45 HB2 GLU 6 HB2 GLU 6 -1.271 7.174 1.613
46 HB3 GLU 6 HB1 GLU 6 0.008 8.070 2.421
47 HG2 GLU 6 HG2 GLU 6 -1.519 9.030 0.010
48 HG3 GLU 6 HG1 GLU 6 -1.843 9.501 1.675
49 H LEU 7 HN LEU 7 -0.149 4.884 0.852
50 HA LEU 7 HA LEU 7 1.774 4.050 2.742
51 HB2 LEU 7 HB2 LEU 7 0.056 2.507 0.809
52 HB3 LEU 7 HB1 LEU 7 1.089 1.733 1.993
53 HG LEU 7 HG LEU 7 -1.092 3.672 2.756
54 HD11 LEU 7 HD11 LEU 7 -2.444 1.702 3.309
55 HD12 LEU 7 HD12 LEU 7 -1.211 0.662 2.598
56 HD13 LEU 7 HD13 LEU 7 -2.104 1.794 1.582
57 HD21 LEU 7 HD21 LEU 7 0.683 3.300 4.414
58 HD22 LEU 7 HD22 LEU 7 0.392 1.564 4.322
59 HD23 LEU 7 HD23 LEU 7 -0.862 2.634 4.947
60 H LYS 8 HN LYS 8 1.619 3.774 -0.771
61 HA LYS 8 HA LYS 8 3.970 2.312 -1.176
62 HB2 LYS 8 HB2 LYS 8 2.364 2.591 -2.943
63 HB3 LYS 8 HB1 LYS 8 2.545 4.337 -2.901
64 HG2 LYS 8 HG2 LYS 8 4.841 4.110 -3.712
65 HG3 LYS 8 HG1 LYS 8 4.634 2.358 -3.773
66 HD2 LYS 8 HD2 LYS 8 2.888 2.576 -5.422
67 HD3 LYS 8 HD1 LYS 8 2.936 4.334 -5.290
68 HE2 LYS 8 HE2 LYS 8 5.204 2.591 -6.244
69 HE3 LYS 8 HE1 LYS 8 4.110 3.500 -7.286
70 HZ1 LYS 8 HZ1 LYS 8 4.900 5.542 -6.311
71 HZ2 LYS 8 HZ2 LYS 8 6.213 4.658 -6.902
72 HZ3 LYS 8 HZ3 LYS 8 5.903 4.697 -5.243
73 H LYS 9 HN LYS 9 3.400 5.769 -0.848
74 HA LYS 9 HA LYS 9 6.066 6.565 -1.405
75 HB2 LYS 9 HB2 LYS 9 3.798 7.941 0.031
76 HB3 LYS 9 HB1 LYS 9 5.341 8.716 -0.303
77 HG2 LYS 9 HG2 LYS 9 4.983 8.676 -2.624
78 HG3 LYS 9 HG1 LYS 9 3.667 7.509 -2.484
79 HD2 LYS 9 HD2 LYS 9 2.835 9.758 -2.955
80 HD3 LYS 9 HD1 LYS 9 2.284 9.178 -1.384
81 HE2 LYS 9 HE2 LYS 9 4.107 10.468 -0.317
82 HE3 LYS 9 HE1 LYS 9 4.543 11.108 -1.902
83 HZ1 LYS 9 HZ1 LYS 9 3.102 12.595 -0.583
84 HZ2 LYS 9 HZ2 LYS 9 1.869 11.431 -0.653
85 HZ3 LYS 9 HZ3 LYS 9 2.430 12.163 -2.075
86 H ARG 10 HN ARG 10 4.331 5.777 1.559
87 HA ARG 10 HA ARG 10 6.326 6.560 3.382
88 HB2 ARG 10 HB2 ARG 10 4.074 6.086 4.143
89 HB3 ARG 10 HB1 ARG 10 4.202 4.420 3.601
90 HG2 ARG 10 HG2 ARG 10 6.038 4.081 5.240
91 HG3 ARG 10 HG1 ARG 10 5.729 5.711 5.848
92 HD2 ARG 10 HD2 ARG 10 3.539 5.108 6.565
93 HD3 ARG 10 HD1 ARG 10 3.626 3.559 5.731
94 HE ARG 10 HE ARG 10 5.698 3.806 7.668
95 HH11 ARG 10 HH11 ARG 10 2.190 2.206 8.795
96 HH12 ARG 10 HH12 ARG 10 2.264 3.176 7.357
97 HH21 ARG 10 HH21 ARG 10 5.590 2.533 9.563
98 HH22 ARG 10 HH22 ARG 10 4.071 1.842 10.040
99 H TYR 11 HN TYR 11 5.622 3.411 1.909
100 HA TYR 11 HA TYR 11 7.860 2.203 3.260
101 HB2 TYR 11 HB2 TYR 11 5.826 1.142 1.310
102 HB3 TYR 11 HB1 TYR 11 7.152 0.170 1.934
103 HD1 TYR 11 HD1 TYR 11 7.216 -0.526 4.240
104 HD2 TYR 11 HD2 TYR 11 3.974 1.800 2.767
105 HE1 TYR 11 HE1 TYR 11 5.925 -1.059 6.259
106 HE2 TYR 11 HE2 TYR 11 2.676 1.275 4.786
107 HH TYR 11 HH TYR 11 2.568 -0.327 6.551
108 H ORN 12 HT1 ORN 12 11.738 1.370 -4.258
109 HA ORN 12 HA ORN 12 11.119 1.831 -1.404
110 HB2 ORN 12 HB1 ORN 12 9.581 2.660 -3.875
111 HB3 ORN 12 HB2 ORN 12 10.600 3.741 -2.935
112 HG2 ORN 12 HG1 ORN 12 8.240 2.262 -1.805
113 HG3 ORN 12 HG2 ORN 12 8.168 3.909 -2.434
114 HD2 ORN 12 HD1 ORN 12 9.429 4.763 -0.720
115 HD3 ORN 12 HD2 ORN 12 10.227 3.231 -0.392
116 HE1 ORN 12 HE ORN 12 7.629 4.089 0.590
117 H CYS 13 HN CYS 13 9.549 0.511 -0.542
118 HA CYS 13 HA CYS 13 9.014 -1.948 -1.918
119 HB2 CYS 13 HB2 CYS 13 7.688 -0.999 0.613
120 HB3 CYS 13 HB1 CYS 13 7.960 -2.653 0.095
121 H GLU 14 HN GLU 14 6.921 -2.732 -2.496
122 HA GLU 14 HA GLU 14 5.102 -0.543 -3.243
123 HB2 GLU 14 HB2 GLU 14 6.176 -1.669 -5.141
124 HB3 GLU 14 HB1 GLU 14 5.569 -3.216 -4.573
125 HG2 GLU 14 HG2 GLU 14 3.309 -2.555 -5.007
126 HG3 GLU 14 HG1 GLU 14 3.820 -0.918 -5.417
127 H VAL 15 HN VAL 15 3.162 -0.556 -2.298
128 HA VAL 15 HA VAL 15 2.390 -2.920 -0.798
129 HB VAL 15 HB VAL 15 0.693 -1.594 0.257
130 HG11 VAL 15 HG11 VAL 15 2.040 0.094 1.349
131 HG12 VAL 15 HG12 VAL 15 3.221 0.037 0.040
132 HG13 VAL 15 HG13 VAL 15 2.993 -1.365 1.084
133 HG21 VAL 15 HG21 VAL 15 -0.083 -0.319 -1.652
134 HG22 VAL 15 HG22 VAL 15 1.420 0.603 -1.674
135 HG23 VAL 15 HG23 VAL 15 0.312 0.756 -0.311
136 H ARG 16 HN ARG 16 0.594 -4.101 -1.145
137 HA ARG 16 HA ARG 16 -0.749 -3.719 -3.724
138 HB2 ARG 16 HB2 ARG 16 -0.544 -6.166 -1.962
139 HB3 ARG 16 HB1 ARG 16 -1.433 -6.090 -3.473
140 HG2 ARG 16 HG2 ARG 16 1.532 -5.639 -3.216
141 HG3 ARG 16 HG1 ARG 16 0.785 -7.172 -3.658
142 HD2 ARG 16 HD2 ARG 16 1.452 -6.128 -5.681
143 HD3 ARG 16 HD1 ARG 16 -0.298 -5.976 -5.584
144 HE ARG 16 HE ARG 16 0.957 -3.676 -4.501
145 HH11 ARG 16 HH11 ARG 16 0.247 -5.241 -7.543
146 HH12 ARG 16 HH12 ARG 16 0.229 -3.763 -8.447
147 HH21 ARG 16 HH21 ARG 16 0.632 -1.760 -7.394
148 HH22 ARG 16 HH22 ARG 16 0.930 -1.722 -5.685
149 H CYS 17 HN CYS 17 -2.988 -3.687 -3.824
150 HA CYS 17 HA CYS 17 -4.222 -3.033 -1.236
151 HB2 CYS 17 HB2 CYS 17 -4.965 -1.926 -3.942
152 HB3 CYS 17 HB1 CYS 17 -5.544 -1.374 -2.374
153 H ASP 18 HN ASP 18 -5.537 -4.590 -0.637
154 HA ASP 18 HA ASP 18 -7.266 -5.821 -2.679
155 HB2 ASP 18 HB2 ASP 18 -5.506 -7.331 -1.567
156 HB3 ASP 18 HB1 ASP 18 -6.463 -7.162 -0.100
157 HA DPR 19 HA DPR 19 -10.824 -4.533 -0.321
158 HB2 DPR 19 HB1 DPR 19 -10.409 -1.875 -1.538
159 HB3 DPR 19 HB2 DPR 19 -11.827 -2.926 -1.580
160 HG2 DPR 19 HG1 DPR 19 -10.263 -2.606 -3.728
161 HG3 DPR 19 HG2 DPR 19 -11.018 -4.165 -3.352
162 HD2 DPR 19 HD1 DPR 19 -8.192 -3.282 -2.958
163 HD3 DPR 19 HD2 DPR 19 -8.827 -4.865 -3.452
164 HA PRO 20 HA PRO 20 -9.549 -1.627 2.850
165 HB2 PRO 20 HB2 PRO 20 -10.214 -3.128 4.961
166 HB3 PRO 20 HB1 PRO 20 -11.441 -2.361 3.948
167 HG2 PRO 20 HG2 PRO 20 -10.485 -5.195 3.949
168 HG3 PRO 20 HG1 PRO 20 -12.139 -4.573 3.814
169 HD2 PRO 20 HD2 PRO 20 -10.629 -5.386 1.673
170 HD3 PRO 20 HD1 PRO 20 -11.943 -4.200 1.569
171 H ARG 21 HN ARG 21 -8.068 -4.492 1.935
172 HA ARG 21 HA ARG 21 -6.175 -4.422 4.181
173 HB2 ARG 21 HB2 ARG 21 -6.596 -6.566 2.096
174 HB3 ARG 21 HB1 ARG 21 -5.458 -6.650 3.431
175 HG2 ARG 21 HG2 ARG 21 -7.313 -6.571 5.018
176 HG3 ARG 21 HG1 ARG 21 -8.453 -6.504 3.672
177 HD2 ARG 21 HD2 ARG 21 -7.554 -8.677 2.874
178 HD3 ARG 21 HD1 ARG 21 -6.549 -8.748 4.322
179 HE ARG 21 HE ARG 21 -9.301 -8.373 4.962
180 HH11 ARG 21 HH11 ARG 21 -6.945 -10.790 4.034
181 HH12 ARG 21 HH12 ARG 21 -7.830 -12.103 4.736
182 HH21 ARG 21 HH21 ARG 21 -10.470 -10.108 5.884
183 HH22 ARG 21 HH22 ARG 21 -9.829 -11.718 5.787
184 H TYR 22 HN TYR 22 -3.989 -4.236 3.847
185 HA TYR 22 HA TYR 22 -3.083 -3.748 1.100
186 HB2 TYR 22 HB2 TYR 22 -2.327 -2.060 3.498
187 HB3 TYR 22 HB1 TYR 22 -1.687 -1.885 1.868
188 HD1 TYR 22 HD1 TYR 22 -3.032 -0.911 0.097
189 HD2 TYR 22 HD2 TYR 22 -4.581 -1.330 4.035
190 HE1 TYR 22 HE1 TYR 22 -4.868 0.617 -0.469
191 HE2 TYR 22 HE2 TYR 22 -6.420 0.197 3.480
192 HH TYR 22 HH TYR 22 -7.178 1.091 0.314
193 H GLU 23 HN GLU 23 -1.317 -4.836 0.588
194 HA GLU 23 HA GLU 23 0.120 -6.219 2.761
195 HB2 GLU 23 HB2 GLU 23 -0.213 -7.086 -0.118
196 HB3 GLU 23 HB1 GLU 23 0.593 -7.994 1.151
197 HG2 GLU 23 HG2 GLU 23 -1.475 -8.294 2.328
198 HG3 GLU 23 HG1 GLU 23 -2.320 -7.252 1.186
199 H VAL 24 HN VAL 24 2.191 -5.652 3.033
200 HA VAL 24 HA VAL 24 3.390 -3.820 1.160
201 HB VAL 24 HB VAL 24 4.530 -4.998 3.698
202 HG11 VAL 24 HG11 VAL 24 6.179 -3.212 3.581
203 HG12 VAL 24 HG12 VAL 24 5.478 -2.644 2.064
204 HG13 VAL 24 HG13 VAL 24 6.264 -4.223 2.136
205 HG21 VAL 24 HG21 VAL 24 2.545 -3.658 4.124
206 HG22 VAL 24 HG22 VAL 24 3.215 -2.336 3.169
207 HG23 VAL 24 HG23 VAL 24 3.989 -2.809 4.681
208 H HIS 25 HN HIS 25 4.339 -4.514 -0.595
209 HA HIS 25 HA HIS 25 5.761 -7.091 -0.555
210 HB2 HIS 25 HB2 HIS 25 3.774 -6.844 -2.103
211 HB3 HIS 25 HB1 HIS 25 4.681 -5.610 -2.962
212 HD1 HIS 25 HD1 HIS 25 3.862 -9.020 -3.222
213 HD2 HIS 25 HD2 HIS 25 7.357 -6.852 -3.819
214 HE1 HIS 25 HE1 HIS 25 5.304 -10.450 -4.701
215 HE2 HIS 25 HE2 HIS 25 7.360 -9.068 -5.146
216 H CYS 26 HN CYS 26 7.783 -6.412 0.050
217 HA CYS 26 HA CYS 26 8.979 -4.217 -1.482
218 HB2 CYS 26 HB2 CYS 26 8.942 -4.336 1.121
219 HB3 CYS 26 HB1 CYS 26 10.243 -5.504 0.917
220 HN1 NH2 27 HN1 NH2 27 9.183 -5.643 -3.325
221 HN2 NH2 27 HN2 NH2 27 10.491 -6.771 -3.396
Start of MODEL 9
1 H1 ASN 1 HT1 ASN 1 -6.203 6.343 -6.650
2 H2 ASN 1 HT2 ASN 1 -7.301 5.068 -6.493
3 H3 ASN 1 HT3 ASN 1 -5.666 4.822 -6.151
4 HA ASN 1 HA ASN 1 -7.458 6.631 -4.653
5 HB2 ASN 1 HB2 ASN 1 -6.426 3.868 -3.992
6 HB3 ASN 1 HB1 ASN 1 -7.171 4.941 -2.813
7 HD21 ASN 1 HD21 ASN 1 -9.376 5.348 -2.928
8 HD22 ASN 1 HD22 ASN 1 -10.440 4.370 -3.880
9 H ASP 2 HN ASP 2 -6.394 8.134 -3.567
10 HA ASP 2 HA ASP 2 -3.567 8.331 -3.745
11 HB2 ASP 2 HB2 ASP 2 -3.765 10.404 -2.607
12 HB3 ASP 2 HB1 ASP 2 -5.195 10.269 -3.618
13 H LYS 3 HN LYS 3 -5.674 6.891 -1.438
14 HA LYS 3 HA LYS 3 -4.006 6.954 0.827
15 HB2 LYS 3 HB2 LYS 3 -6.445 6.303 0.743
16 HB3 LYS 3 HB1 LYS 3 -5.936 4.752 0.094
17 HG2 LYS 3 HG2 LYS 3 -4.714 4.261 2.106
18 HG3 LYS 3 HG1 LYS 3 -5.081 5.861 2.753
19 HD2 LYS 3 HD2 LYS 3 -7.484 5.299 2.675
20 HD3 LYS 3 HD1 LYS 3 -7.065 3.679 2.122
21 HE2 LYS 3 HE2 LYS 3 -6.224 4.915 4.742
22 HE3 LYS 3 HE1 LYS 3 -7.525 3.745 4.531
23 HZ1 LYS 3 HZ1 LYS 3 -4.635 3.308 4.055
24 HZ2 LYS 3 HZ2 LYS 3 -5.841 2.201 3.618
25 HZ3 LYS 3 HZ3 LYS 3 -5.599 2.591 5.248
26 H CYS 4 HN CYS 4 -4.292 4.667 -1.845
27 HA CYS 4 HA CYS 4 -2.328 2.844 -0.931
28 HB2 CYS 4 HB2 CYS 4 -3.399 3.432 -3.695
29 HB3 CYS 4 HB1 CYS 4 -2.265 2.128 -3.351
30 H LYS 5 HN LYS 5 -2.233 5.801 -2.772
31 HA LYS 5 HA LYS 5 0.464 5.627 -3.622
32 HB2 LYS 5 HB2 LYS 5 -1.204 7.108 -4.671
33 HB3 LYS 5 HB1 LYS 5 -1.296 8.052 -3.192
34 HG2 LYS 5 HG2 LYS 5 1.079 8.648 -3.465
35 HG3 LYS 5 HG1 LYS 5 1.100 7.768 -4.994
36 HD2 LYS 5 HD2 LYS 5 -0.693 10.109 -4.354
37 HD3 LYS 5 HD1 LYS 5 0.791 10.194 -5.303
38 HE2 LYS 5 HE2 LYS 5 -1.681 8.608 -5.994
39 HE3 LYS 5 HE1 LYS 5 -1.168 10.114 -6.750
40 HZ1 LYS 5 HZ1 LYS 5 0.358 7.569 -6.808
41 HZ2 LYS 5 HZ2 LYS 5 0.802 9.009 -7.571
42 HZ3 LYS 5 HZ3 LYS 5 -0.575 8.175 -8.077
43 H GLU 6 HN GLU 6 -1.157 7.030 -0.832
44 HA GLU 6 HA GLU 6 1.041 8.257 0.390
45 HB2 GLU 6 HB2 GLU 6 -1.518 7.092 1.465
46 HB3 GLU 6 HB1 GLU 6 -0.323 7.819 2.529
47 HG2 GLU 6 HG2 GLU 6 -1.539 9.265 0.196
48 HG3 GLU 6 HG1 GLU 6 -2.215 9.303 1.821
49 H LEU 7 HN LEU 7 -0.341 5.021 0.838
50 HA LEU 7 HA LEU 7 1.612 4.121 2.661
51 HB2 LEU 7 HB2 LEU 7 -0.179 2.620 0.762
52 HB3 LEU 7 HB1 LEU 7 0.830 1.837 1.961
53 HG LEU 7 HG LEU 7 -1.299 3.858 2.668
54 HD11 LEU 7 HD11 LEU 7 -2.339 1.939 1.581
55 HD12 LEU 7 HD12 LEU 7 -2.688 1.952 3.309
56 HD13 LEU 7 HD13 LEU 7 -1.475 0.846 2.663
57 HD21 LEU 7 HD21 LEU 7 -1.070 2.919 4.898
58 HD22 LEU 7 HD22 LEU 7 0.481 3.530 4.329
59 HD23 LEU 7 HD23 LEU 7 0.158 1.796 4.320
60 H LYS 8 HN LYS 8 1.428 4.030 -0.850
61 HA LYS 8 HA LYS 8 3.628 2.377 -1.341
62 HB2 LYS 8 HB2 LYS 8 1.919 3.157 -3.015
63 HB3 LYS 8 HB1 LYS 8 2.748 4.707 -3.044
64 HG2 LYS 8 HG2 LYS 8 4.818 3.484 -3.737
65 HG3 LYS 8 HG1 LYS 8 3.822 2.039 -3.906
66 HD2 LYS 8 HD2 LYS 8 2.402 3.239 -5.523
67 HD3 LYS 8 HD1 LYS 8 3.467 4.639 -5.390
68 HE2 LYS 8 HE2 LYS 8 4.190 1.899 -6.410
69 HE3 LYS 8 HE1 LYS 8 4.047 3.375 -7.359
70 HZ1 LYS 8 HZ1 LYS 8 6.054 2.861 -5.231
71 HZ2 LYS 8 HZ2 LYS 8 5.917 4.295 -6.116
72 HZ3 LYS 8 HZ3 LYS 8 6.349 2.859 -6.895
73 H LYS 9 HN LYS 9 3.434 5.906 -1.002
74 HA LYS 9 HA LYS 9 6.223 6.319 -1.402
75 HB2 LYS 9 HB2 LYS 9 4.462 8.060 -1.738
76 HB3 LYS 9 HB1 LYS 9 4.256 8.128 0.005
77 HG2 LYS 9 HG2 LYS 9 5.647 9.950 -0.694
78 HG3 LYS 9 HG1 LYS 9 6.624 8.801 0.221
79 HD2 LYS 9 HD2 LYS 9 7.420 7.837 -1.912
80 HD3 LYS 9 HD1 LYS 9 6.498 9.063 -2.782
81 HE2 LYS 9 HE2 LYS 9 8.780 9.775 -2.658
82 HE3 LYS 9 HE1 LYS 9 7.814 10.806 -1.608
83 HZ1 LYS 9 HZ1 LYS 9 9.941 10.080 -0.618
84 HZ2 LYS 9 HZ2 LYS 9 9.393 8.483 -0.656
85 HZ3 LYS 9 HZ3 LYS 9 8.595 9.623 0.299
86 H ARG 10 HN ARG 10 4.176 5.817 1.388
87 HA ARG 10 HA ARG 10 5.963 6.529 3.416
88 HB2 ARG 10 HB2 ARG 10 3.588 6.203 3.807
89 HB3 ARG 10 HB1 ARG 10 3.725 4.502 3.400
90 HG2 ARG 10 HG2 ARG 10 5.074 4.095 5.358
91 HG3 ARG 10 HG1 ARG 10 5.066 5.818 5.749
92 HD2 ARG 10 HD2 ARG 10 2.730 5.794 6.187
93 HD3 ARG 10 HD1 ARG 10 2.551 4.174 5.518
94 HE ARG 10 HE ARG 10 4.320 3.910 7.605
95 HH11 ARG 10 HH11 ARG 10 0.549 4.591 8.827
96 HH12 ARG 10 HH12 ARG 10 1.047 5.109 7.246
97 HH21 ARG 10 HH21 ARG 10 3.673 3.237 9.685
98 HH22 ARG 10 HH22 ARG 10 2.047 3.528 10.217
99 H TYR 11 HN TYR 11 5.444 3.447 1.769
100 HA TYR 11 HA TYR 11 7.584 2.244 3.355
101 HB2 TYR 11 HB2 TYR 11 5.533 1.043 1.503
102 HB3 TYR 11 HB1 TYR 11 6.819 0.117 2.267
103 HD1 TYR 11 HD1 TYR 11 6.840 -0.186 4.730
104 HD2 TYR 11 HD2 TYR 11 3.618 1.740 2.731
105 HE1 TYR 11 HE1 TYR 11 5.429 -0.486 6.716
106 HE2 TYR 11 HE2 TYR 11 2.199 1.448 4.716
107 HH TYR 11 HH TYR 11 3.440 0.537 7.741
108 H ORN 12 HT1 ORN 12 11.476 0.935 -4.216
109 HA ORN 12 HA ORN 12 10.941 1.570 -1.378
110 HB2 ORN 12 HB1 ORN 12 9.190 2.066 -3.798
111 HB3 ORN 12 HB2 ORN 12 10.174 3.305 -3.032
112 HG2 ORN 12 HG1 ORN 12 8.034 1.756 -1.596
113 HG3 ORN 12 HG2 ORN 12 7.769 3.313 -2.377
114 HD2 ORN 12 HD1 ORN 12 9.131 4.443 -0.875
115 HD3 ORN 12 HD2 ORN 12 9.957 2.975 -0.368
116 HE1 ORN 12 HE ORN 12 7.444 3.987 0.629
117 H CYS 13 HN CYS 13 9.233 0.308 -0.459
118 HA CYS 13 HA CYS 13 9.178 -2.401 -1.340
119 HB2 CYS 13 HB2 CYS 13 7.351 -1.034 0.640
120 HB3 CYS 13 HB1 CYS 13 7.610 -2.765 0.486
121 H GLU 14 HN GLU 14 7.405 -3.595 -2.125
122 HA GLU 14 HA GLU 14 5.658 -2.070 -3.869
123 HB2 GLU 14 HB2 GLU 14 6.045 -5.040 -3.479
124 HB3 GLU 14 HB1 GLU 14 4.912 -4.343 -4.628
125 HG2 GLU 14 HG2 GLU 14 6.761 -3.272 -5.801
126 HG3 GLU 14 HG1 GLU 14 7.898 -3.965 -4.645
127 H VAL 15 HN VAL 15 3.782 -1.358 -3.186
128 HA VAL 15 HA VAL 15 2.445 -2.803 -1.006
129 HB VAL 15 HB VAL 15 2.093 0.084 -1.827
130 HG11 VAL 15 HG11 VAL 15 0.768 0.291 0.223
131 HG12 VAL 15 HG12 VAL 15 0.941 -1.441 0.506
132 HG13 VAL 15 HG13 VAL 15 0.050 -0.861 -0.900
133 HG21 VAL 15 HG21 VAL 15 3.186 0.597 0.322
134 HG22 VAL 15 HG22 VAL 15 4.254 -0.248 -0.800
135 HG23 VAL 15 HG23 VAL 15 3.514 -1.122 0.540
136 H ARG 16 HN ARG 16 0.754 -3.945 -1.580
137 HA ARG 16 HA ARG 16 -0.798 -3.135 -3.952
138 HB2 ARG 16 HB2 ARG 16 -0.760 -5.797 -2.528
139 HB3 ARG 16 HB1 ARG 16 -1.699 -5.417 -3.955
140 HG2 ARG 16 HG2 ARG 16 0.356 -5.119 -5.234
141 HG3 ARG 16 HG1 ARG 16 1.304 -5.499 -3.791
142 HD2 ARG 16 HD2 ARG 16 0.146 -7.691 -3.678
143 HD3 ARG 16 HD1 ARG 16 -0.647 -7.310 -5.204
144 HE ARG 16 HE ARG 16 1.961 -7.043 -5.820
145 HH11 ARG 16 HH11 ARG 16 0.152 -9.572 -4.219
146 HH12 ARG 16 HH12 ARG 16 1.208 -10.844 -4.749
147 HH21 ARG 16 HH21 ARG 16 3.021 -10.357 -6.070
148 HH22 ARG 16 HH22 ARG 16 3.357 -8.716 -6.528
149 H CYS 17 HN CYS 17 -3.080 -3.106 -3.801
150 HA CYS 17 HA CYS 17 -4.080 -2.875 -1.045
151 HB2 CYS 17 HB2 CYS 17 -4.984 -1.353 -3.499
152 HB3 CYS 17 HB1 CYS 17 -5.661 -1.181 -1.883
153 H ASP 18 HN ASP 18 -5.544 -4.339 -0.528
154 HA ASP 18 HA ASP 18 -7.223 -5.480 -2.660
155 HB2 ASP 18 HB2 ASP 18 -5.404 -7.032 -1.759
156 HB3 ASP 18 HB1 ASP 18 -6.286 -7.016 -0.237
157 HA DPR 19 HA DPR 19 -10.774 -4.569 -0.116
158 HB2 DPR 19 HB1 DPR 19 -10.472 -1.798 -1.093
159 HB3 DPR 19 HB2 DPR 19 -11.862 -2.881 -1.187
160 HG2 DPR 19 HG1 DPR 19 -10.380 -2.325 -3.344
161 HG3 DPR 19 HG2 DPR 19 -11.080 -3.934 -3.088
162 HD2 DPR 19 HD1 DPR 19 -8.264 -3.008 -2.712
163 HD3 DPR 19 HD2 DPR 19 -8.877 -4.564 -3.310
164 HA PRO 20 HA PRO 20 -9.523 -1.886 3.270
165 HB2 PRO 20 HB2 PRO 20 -10.136 -3.570 5.261
166 HB3 PRO 20 HB1 PRO 20 -11.387 -2.736 4.334
167 HG2 PRO 20 HG2 PRO 20 -10.391 -5.546 4.066
168 HG3 PRO 20 HG1 PRO 20 -12.057 -4.942 4.030
169 HD2 PRO 20 HD2 PRO 20 -10.615 -5.536 1.783
170 HD3 PRO 20 HD1 PRO 20 -11.921 -4.336 1.830
171 H ARG 21 HN ARG 21 -8.014 -4.666 2.118
172 HA ARG 21 HA ARG 21 -6.041 -4.656 4.307
173 HB2 ARG 21 HB2 ARG 21 -6.516 -6.771 2.202
174 HB3 ARG 21 HB1 ARG 21 -5.352 -6.870 3.516
175 HG2 ARG 21 HG2 ARG 21 -8.342 -6.741 3.814
176 HG3 ARG 21 HG1 ARG 21 -7.342 -8.182 3.983
177 HD2 ARG 21 HD2 ARG 21 -6.193 -7.156 5.885
178 HD3 ARG 21 HD1 ARG 21 -7.190 -5.712 5.710
179 HE ARG 21 HE ARG 21 -8.621 -8.210 6.083
180 HH11 ARG 21 HH11 ARG 21 -7.261 -5.363 7.614
181 HH12 ARG 21 HH12 ARG 21 -8.298 -5.465 9.002
182 HH21 ARG 21 HH21 ARG 21 -9.968 -8.349 7.915
183 HH22 ARG 21 HH22 ARG 21 -9.827 -7.166 9.176
184 H TYR 22 HN TYR 22 -3.795 -4.805 3.746
185 HA TYR 22 HA TYR 22 -3.126 -3.958 1.020
186 HB2 TYR 22 HB2 TYR 22 -2.050 -2.652 3.532
187 HB3 TYR 22 HB1 TYR 22 -1.552 -2.282 1.888
188 HD1 TYR 22 HD1 TYR 22 -2.962 -0.983 0.425
189 HD2 TYR 22 HD2 TYR 22 -4.199 -1.911 4.384
190 HE1 TYR 22 HE1 TYR 22 -4.723 0.717 0.264
191 HE2 TYR 22 HE2 TYR 22 -5.964 -0.212 4.239
192 HH TYR 22 HH TYR 22 -6.447 1.840 2.950
193 H GLU 23 HN GLU 23 -1.192 -4.705 0.280
194 HA GLU 23 HA GLU 23 0.261 -6.562 2.051
195 HB2 GLU 23 HB2 GLU 23 -0.146 -6.537 -0.929
196 HB3 GLU 23 HB1 GLU 23 1.127 -7.478 -0.182
197 HG2 GLU 23 HG2 GLU 23 -1.771 -7.773 0.533
198 HG3 GLU 23 HG1 GLU 23 -0.975 -8.720 -0.724
199 H VAL 24 HN VAL 24 2.080 -5.698 2.799
200 HA VAL 24 HA VAL 24 3.554 -3.828 1.081
201 HB VAL 24 HB VAL 24 3.800 -4.290 4.062
202 HG11 VAL 24 HG11 VAL 24 5.228 -2.312 2.285
203 HG12 VAL 24 HG12 VAL 24 5.954 -3.717 3.065
204 HG13 VAL 24 HG13 VAL 24 5.338 -2.384 4.043
205 HG21 VAL 24 HG21 VAL 24 2.725 -1.940 2.506
206 HG22 VAL 24 HG22 VAL 24 2.891 -2.028 4.260
207 HG23 VAL 24 HG23 VAL 24 1.764 -3.098 3.425
208 H HIS 25 HN HIS 25 4.926 -4.903 -0.141
209 HA HIS 25 HA HIS 25 6.447 -7.121 1.052
210 HB2 HIS 25 HB2 HIS 25 5.582 -6.595 -1.784
211 HB3 HIS 25 HB1 HIS 25 6.824 -7.772 -1.389
212 HD1 HIS 25 HD1 HIS 25 5.922 -10.063 -1.245
213 HD2 HIS 25 HD2 HIS 25 3.105 -7.228 -0.122
214 HE1 HIS 25 HE1 HIS 25 3.841 -11.361 -0.693
215 HE2 HIS 25 HE2 HIS 25 2.209 -9.639 0.172
216 H CYS 26 HN CYS 26 8.289 -6.290 1.773
217 HA CYS 26 HA CYS 26 9.731 -4.340 0.153
218 HB2 CYS 26 HB2 CYS 26 10.233 -5.354 2.959
219 HB3 CYS 26 HB1 CYS 26 11.188 -4.116 2.148
220 HN1 NH2 27 HN1 NH2 27 10.290 -5.836 -1.485
221 HN2 NH2 27 HN2 NH2 27 11.564 -6.980 -1.252
Start of MODEL 10
1 H1 ASN 1 HT1 ASN 1 -8.881 6.429 -4.966
2 H2 ASN 1 HT2 ASN 1 -7.960 7.842 -4.841
3 H3 ASN 1 HT3 ASN 1 -8.094 6.795 -3.517
4 HA ASN 1 HA ASN 1 -6.907 5.084 -4.663
5 HB2 ASN 1 HB2 ASN 1 -5.951 5.458 -6.864
6 HB3 ASN 1 HB1 ASN 1 -7.692 5.703 -6.936
7 HD21 ASN 1 HD21 ASN 1 -5.556 6.690 -8.673
8 HD22 ASN 1 HD22 ASN 1 -5.719 8.413 -8.685
9 H ASP 2 HN ASP 2 -6.561 8.009 -3.330
10 HA ASP 2 HA ASP 2 -3.762 8.444 -3.880
11 HB2 ASP 2 HB2 ASP 2 -3.908 10.339 -2.383
12 HB3 ASP 2 HB1 ASP 2 -5.280 10.357 -3.485
13 H LYS 3 HN LYS 3 -5.630 6.783 -1.468
14 HA LYS 3 HA LYS 3 -3.752 6.836 0.631
15 HB2 LYS 3 HB2 LYS 3 -6.082 6.188 0.997
16 HB3 LYS 3 HB1 LYS 3 -5.857 4.762 -0.001
17 HG2 LYS 3 HG2 LYS 3 -5.808 4.127 2.306
18 HG3 LYS 3 HG1 LYS 3 -4.199 3.922 1.616
19 HD2 LYS 3 HD2 LYS 3 -3.910 4.915 3.756
20 HD3 LYS 3 HD1 LYS 3 -3.622 6.182 2.567
21 HE2 LYS 3 HE2 LYS 3 -6.004 6.896 2.886
22 HE3 LYS 3 HE1 LYS 3 -6.103 5.748 4.216
23 HZ1 LYS 3 HZ1 LYS 3 -4.282 6.947 5.304
24 HZ2 LYS 3 HZ2 LYS 3 -5.623 7.940 5.044
25 HZ3 LYS 3 HZ3 LYS 3 -4.269 8.073 4.044
26 H CYS 4 HN CYS 4 -4.258 4.604 -2.046
27 HA CYS 4 HA CYS 4 -2.349 2.686 -1.355
28 HB2 CYS 4 HB2 CYS 4 -3.415 3.585 -4.027
29 HB3 CYS 4 HB1 CYS 4 -2.283 2.247 -3.864
30 H LYS 5 HN LYS 5 -2.036 5.749 -3.037
31 HA LYS 5 HA LYS 5 0.712 5.347 -3.735
32 HB2 LYS 5 HB2 LYS 5 -1.026 7.819 -3.735
33 HB3 LYS 5 HB1 LYS 5 0.631 7.784 -4.328
34 HG2 LYS 5 HG2 LYS 5 -0.006 6.137 -6.016
35 HG3 LYS 5 HG1 LYS 5 -1.666 6.168 -5.420
36 HD2 LYS 5 HD2 LYS 5 -1.825 8.540 -5.990
37 HD3 LYS 5 HD1 LYS 5 -0.162 8.512 -6.577
38 HE2 LYS 5 HE2 LYS 5 -2.447 6.885 -7.685
39 HE3 LYS 5 HE1 LYS 5 -1.786 8.349 -8.409
40 HZ1 LYS 5 HZ1 LYS 5 -0.350 5.777 -8.018
41 HZ2 LYS 5 HZ2 LYS 5 0.351 7.194 -8.621
42 HZ3 LYS 5 HZ3 LYS 5 -0.877 6.428 -9.490
43 H GLU 6 HN GLU 6 -1.029 6.957 -1.138
44 HA GLU 6 HA GLU 6 1.160 8.231 0.075
45 HB2 GLU 6 HB2 GLU 6 -1.444 7.192 1.183
46 HB3 GLU 6 HB1 GLU 6 -0.258 8.005 2.192
47 HG2 GLU 6 HG2 GLU 6 -1.574 9.192 -0.239
48 HG3 GLU 6 HG1 GLU 6 -2.036 9.503 1.432
49 H LEU 7 HN LEU 7 -0.276 5.041 0.583
50 HA LEU 7 HA LEU 7 1.590 4.182 2.523
51 HB2 LEU 7 HB2 LEU 7 -0.206 2.663 0.646
52 HB3 LEU 7 HB1 LEU 7 0.750 1.897 1.899
53 HG LEU 7 HG LEU 7 -1.244 4.057 2.547
54 HD11 LEU 7 HD11 LEU 7 -1.747 1.087 2.415
55 HD12 LEU 7 HD12 LEU 7 -2.453 2.309 1.359
56 HD13 LEU 7 HD13 LEU 7 -2.850 2.295 3.076
57 HD21 LEU 7 HD21 LEU 7 0.430 3.481 4.246
58 HD22 LEU 7 HD22 LEU 7 -0.081 1.795 4.166
59 HD23 LEU 7 HD23 LEU 7 -1.197 3.029 4.748
60 H LYS 8 HN LYS 8 1.473 3.954 -0.986
61 HA LYS 8 HA LYS 8 3.655 2.289 -1.430
62 HB2 LYS 8 HB2 LYS 8 2.131 2.972 -3.200
63 HB3 LYS 8 HB1 LYS 8 2.661 4.641 -3.049
64 HG2 LYS 8 HG2 LYS 8 4.895 3.993 -3.799
65 HG3 LYS 8 HG1 LYS 8 4.349 2.324 -3.965
66 HD2 LYS 8 HD2 LYS 8 2.708 3.018 -5.632
67 HD3 LYS 8 HD1 LYS 8 3.226 4.695 -5.452
68 HE2 LYS 8 HE2 LYS 8 4.215 3.640 -7.430
69 HE3 LYS 8 HE1 LYS 8 5.442 4.123 -6.262
70 HZ1 LYS 8 HZ1 LYS 8 4.372 1.371 -6.569
71 HZ2 LYS 8 HZ2 LYS 8 5.601 1.850 -5.513
72 HZ3 LYS 8 HZ3 LYS 8 5.852 1.911 -7.183
73 H LYS 9 HN LYS 9 3.566 5.815 -1.010
74 HA LYS 9 HA LYS 9 6.411 6.092 -1.234
75 HB2 LYS 9 HB2 LYS 9 4.160 7.909 -0.474
76 HB3 LYS 9 HB1 LYS 9 5.806 8.391 -0.104
77 HG2 LYS 9 HG2 LYS 9 5.114 9.381 -2.182
78 HG3 LYS 9 HG1 LYS 9 6.377 8.198 -2.493
79 HD2 LYS 9 HD2 LYS 9 4.764 6.605 -3.288
80 HD3 LYS 9 HD1 LYS 9 3.430 7.657 -2.810
81 HE2 LYS 9 HE2 LYS 9 3.750 7.834 -5.186
82 HE3 LYS 9 HE1 LYS 9 4.241 9.346 -4.428
83 HZ1 LYS 9 HZ1 LYS 9 6.554 8.603 -4.586
84 HZ2 LYS 9 HZ2 LYS 9 5.821 8.691 -6.105
85 HZ3 LYS 9 HZ3 LYS 9 6.054 7.190 -5.366
86 H ARG 10 HN ARG 10 4.119 5.769 1.391
87 HA ARG 10 HA ARG 10 5.796 6.407 3.546
88 HB2 ARG 10 HB2 ARG 10 3.390 6.308 3.768
89 HB3 ARG 10 HB1 ARG 10 3.388 4.601 3.362
90 HG2 ARG 10 HG2 ARG 10 4.536 4.073 5.427
91 HG3 ARG 10 HG1 ARG 10 4.628 5.793 5.830
92 HD2 ARG 10 HD2 ARG 10 2.260 5.957 6.028
93 HD3 ARG 10 HD1 ARG 10 2.027 4.355 5.338
94 HE ARG 10 HE ARG 10 3.551 4.067 7.661
95 HH11 ARG 10 HH11 ARG 10 -0.402 4.570 8.196
96 HH12 ARG 10 HH12 ARG 10 0.343 5.082 6.716
97 HH21 ARG 10 HH21 ARG 10 2.581 3.376 9.619
98 HH22 ARG 10 HH22 ARG 10 0.877 3.593 9.853
99 H TYR 11 HN TYR 11 5.244 3.388 1.822
100 HA TYR 11 HA TYR 11 6.963 1.971 3.693
101 HB2 TYR 11 HB2 TYR 11 5.107 1.105 1.516
102 HB3 TYR 11 HB1 TYR 11 6.340 -0.000 2.111
103 HD1 TYR 11 HD1 TYR 11 6.145 -1.041 4.229
104 HD2 TYR 11 HD2 TYR 11 3.360 1.959 3.075
105 HE1 TYR 11 HE1 TYR 11 4.734 -1.621 6.155
106 HE2 TYR 11 HE2 TYR 11 1.942 1.389 4.998
107 HH TYR 11 HH TYR 11 1.527 -0.403 6.520
108 H ORN 12 HT1 ORN 12 12.945 1.754 -1.902
109 HA ORN 12 HA ORN 12 11.197 1.251 -0.314
110 HB2 ORN 12 HB1 ORN 12 10.143 2.380 -2.922
111 HB3 ORN 12 HB2 ORN 12 11.086 3.288 -1.749
112 HG2 ORN 12 HG1 ORN 12 8.435 2.004 -1.130
113 HG3 ORN 12 HG2 ORN 12 8.625 3.682 -1.641
114 HD2 ORN 12 HD1 ORN 12 9.712 4.287 0.310
115 HD3 ORN 12 HD2 ORN 12 10.169 2.632 0.690
116 HE1 ORN 12 HE ORN 12 7.627 3.911 1.257
117 H CYS 13 HN CYS 13 9.270 0.189 0.181
118 HA CYS 13 HA CYS 13 8.745 -2.160 -1.437
119 HB2 CYS 13 HB2 CYS 13 7.372 -1.330 1.117
120 HB3 CYS 13 HB1 CYS 13 7.438 -2.937 0.412
121 H GLU 14 HN GLU 14 6.830 -2.593 -2.467
122 HA GLU 14 HA GLU 14 5.040 -0.289 -2.841
123 HB2 GLU 14 HB2 GLU 14 5.387 -2.769 -4.530
124 HB3 GLU 14 HB1 GLU 14 4.327 -1.418 -4.904
125 HG2 GLU 14 HG2 GLU 14 6.298 0.045 -5.073
126 HG3 GLU 14 HG1 GLU 14 7.333 -1.351 -4.766
127 H VAL 15 HN VAL 15 2.916 -0.447 -2.298
128 HA VAL 15 HA VAL 15 2.189 -2.896 -0.883
129 HB VAL 15 HB VAL 15 0.431 -1.651 0.209
130 HG11 VAL 15 HG11 VAL 15 2.691 -1.538 1.150
131 HG12 VAL 15 HG12 VAL 15 1.765 -0.076 1.485
132 HG13 VAL 15 HG13 VAL 15 2.998 -0.068 0.225
133 HG21 VAL 15 HG21 VAL 15 -0.227 -0.201 -1.639
134 HG22 VAL 15 HG22 VAL 15 1.278 0.703 -1.474
135 HG23 VAL 15 HG23 VAL 15 0.087 0.734 -0.176
136 H ARG 16 HN ARG 16 0.465 -4.104 -1.366
137 HA ARG 16 HA ARG 16 -0.916 -3.538 -3.895
138 HB2 ARG 16 HB2 ARG 16 0.254 -5.735 -3.656
139 HB3 ARG 16 HB1 ARG 16 -0.813 -6.112 -2.313
140 HG2 ARG 16 HG2 ARG 16 -2.740 -5.817 -3.912
141 HG3 ARG 16 HG1 ARG 16 -1.541 -5.775 -5.208
142 HD2 ARG 16 HD2 ARG 16 -2.047 -8.020 -3.260
143 HD3 ARG 16 HD1 ARG 16 -2.410 -8.011 -4.984
144 HE ARG 16 HE ARG 16 0.319 -7.549 -4.729
145 HH11 ARG 16 HH11 ARG 16 -1.968 -10.110 -4.034
146 HH12 ARG 16 HH12 ARG 16 -0.789 -11.373 -4.183
147 HH21 ARG 16 HH21 ARG 16 1.394 -10.858 -4.685
148 HH22 ARG 16 HH22 ARG 16 1.872 -9.204 -4.918
149 H CYS 17 HN CYS 17 -2.895 -2.756 -3.761
150 HA CYS 17 HA CYS 17 -4.177 -2.634 -1.172
151 HB2 CYS 17 HB2 CYS 17 -5.042 -1.455 -3.817
152 HB3 CYS 17 HB1 CYS 17 -5.665 -1.027 -2.227
153 H ASP 18 HN ASP 18 -5.279 -4.366 -0.592
154 HA ASP 18 HA ASP 18 -7.137 -5.556 -2.544
155 HB2 ASP 18 HB2 ASP 18 -5.235 -7.048 -1.717
156 HB3 ASP 18 HB1 ASP 18 -5.999 -6.975 -0.132
157 HA DPR 19 HA DPR 19 -10.569 -4.652 0.144
158 HB2 DPR 19 HB1 DPR 19 -10.352 -1.904 -0.934
159 HB3 DPR 19 HB2 DPR 19 -11.739 -2.996 -0.897
160 HG2 DPR 19 HG1 DPR 19 -10.411 -2.530 -3.161
161 HG3 DPR 19 HG2 DPR 19 -11.059 -4.136 -2.787
162 HD2 DPR 19 HD1 DPR 19 -8.245 -3.144 -2.645
163 HD3 DPR 19 HD2 DPR 19 -8.861 -4.738 -3.123
164 HA PRO 20 HA PRO 20 -9.304 -1.828 3.395
165 HB2 PRO 20 HB2 PRO 20 -9.807 -3.461 5.457
166 HB3 PRO 20 HB1 PRO 20 -11.108 -2.703 4.535
167 HG2 PRO 20 HG2 PRO 20 -10.027 -5.486 4.342
168 HG3 PRO 20 HG1 PRO 20 -11.711 -4.939 4.326
169 HD2 PRO 20 HD2 PRO 20 -10.298 -5.566 2.068
170 HD3 PRO 20 HD1 PRO 20 -11.649 -4.418 2.102
171 H ARG 21 HN ARG 21 -7.694 -4.490 2.218
172 HA ARG 21 HA ARG 21 -5.658 -4.383 4.346
173 HB2 ARG 21 HB2 ARG 21 -6.160 -6.585 2.340
174 HB3 ARG 21 HB1 ARG 21 -4.938 -6.601 3.604
175 HG2 ARG 21 HG2 ARG 21 -6.765 -6.460 5.283
176 HG3 ARG 21 HG1 ARG 21 -7.924 -6.637 3.962
177 HD2 ARG 21 HD2 ARG 21 -6.874 -8.783 3.366
178 HD3 ARG 21 HD1 ARG 21 -5.770 -8.606 4.729
179 HE ARG 21 HE ARG 21 -8.609 -9.263 4.842
180 HH11 ARG 21 HH11 ARG 21 -5.696 -8.406 6.590
181 HH12 ARG 21 HH12 ARG 21 -6.251 -9.073 8.090
182 HH21 ARG 21 HH21 ARG 21 -9.346 -10.121 6.816
183 HH22 ARG 21 HH22 ARG 21 -8.327 -10.050 8.221
184 H TYR 22 HN TYR 22 -3.497 -4.216 3.790
185 HA TYR 22 HA TYR 22 -2.892 -3.712 0.961
186 HB2 TYR 22 HB2 TYR 22 -1.877 -2.069 3.291
187 HB3 TYR 22 HB1 TYR 22 -1.392 -1.875 1.613
188 HD1 TYR 22 HD1 TYR 22 -2.833 -0.788 0.020
189 HD2 TYR 22 HD2 TYR 22 -4.104 -1.381 4.035
190 HE1 TYR 22 HE1 TYR 22 -4.682 0.784 -0.342
191 HE2 TYR 22 HE2 TYR 22 -5.958 0.191 3.686
192 HH TYR 22 HH TYR 22 -6.916 1.257 0.618
193 H GLU 23 HN GLU 23 -1.507 -5.196 0.343
194 HA GLU 23 HA GLU 23 0.183 -6.551 2.280
195 HB2 GLU 23 HB2 GLU 23 -0.273 -6.998 -0.672
196 HB3 GLU 23 HB1 GLU 23 0.855 -7.940 0.288
197 HG2 GLU 23 HG2 GLU 23 -2.103 -7.738 0.794
198 HG3 GLU 23 HG1 GLU 23 -1.294 -9.073 -0.026
199 H VAL 24 HN VAL 24 2.451 -6.618 2.167
200 HA VAL 24 HA VAL 24 3.557 -4.220 0.884
201 HB VAL 24 HB VAL 24 4.585 -5.715 3.305
202 HG11 VAL 24 HG11 VAL 24 6.379 -4.654 2.029
203 HG12 VAL 24 HG12 VAL 24 6.123 -3.832 3.568
204 HG13 VAL 24 HG13 VAL 24 5.511 -3.119 2.075
205 HG21 VAL 24 HG21 VAL 24 3.845 -3.757 4.575
206 HG22 VAL 24 HG22 VAL 24 2.492 -4.531 3.751
207 HG23 VAL 24 HG23 VAL 24 3.185 -3.045 3.100
208 H HIS 25 HN HIS 25 4.696 -4.609 -0.863
209 HA HIS 25 HA HIS 25 6.251 -7.106 -1.020
210 HB2 HIS 25 HB2 HIS 25 4.463 -6.851 -2.732
211 HB3 HIS 25 HB1 HIS 25 5.248 -5.383 -3.295
212 HD1 HIS 25 HD1 HIS 25 5.442 -9.082 -3.478
213 HD2 HIS 25 HD2 HIS 25 7.678 -5.805 -4.716
214 HE1 HIS 25 HE1 HIS 25 7.091 -9.977 -5.149
215 HE2 HIS 25 HE2 HIS 25 8.501 -7.995 -5.804
216 H CYS 26 HN CYS 26 8.178 -6.493 -0.186
217 HA CYS 26 HA CYS 26 9.407 -3.998 -0.990
218 HB2 CYS 26 HB2 CYS 26 10.385 -6.198 0.837
219 HB3 CYS 26 HB1 CYS 26 11.219 -4.671 0.564
220 HN1 NH2 27 HN1 NH2 27 10.709 -7.299 -0.858
221 HN2 NH2 27 HN2 NH2 27 11.539 -7.213 -2.371