Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633116 | 6e5k RC | 30499 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 HT1 ASN 1 9.622 -11.387 -3.471
2 H2 ASN 1 HT2 ASN 1 9.574 -12.514 -2.213
3 H3 ASN 1 HT3 ASN 1 10.707 -11.259 -2.183
4 HA ASN 1 HA ASN 1 7.774 -10.943 -2.024
5 HB2 ASN 1 HB2 ASN 1 8.160 -10.255 0.297
6 HB3 ASN 1 HB1 ASN 1 8.740 -11.893 0.036
7 HD21 ASN 1 HD21 ASN 1 9.455 -9.825 2.028
8 HD22 ASN 1 HD22 ASN 1 11.174 -9.664 1.911
9 H ASP 2 HN ASP 2 7.307 -8.675 -1.151
10 HA ASP 2 HA ASP 2 9.155 -6.592 -1.816
11 HB2 ASP 2 HB2 ASP 2 8.347 -7.244 -4.077
12 HB3 ASP 2 HB1 ASP 2 6.697 -6.936 -3.553
13 H AIB 3 HN AIB 3 8.615 -4.759 -0.743
14 HB11 AIB 3 HB11 AIB 3 7.215 -2.395 1.546
15 HB12 AIB 3 HB12 AIB 3 7.822 -2.373 -0.108
16 HB13 AIB 3 HB13 AIB 3 8.724 -3.215 1.150
17 HB21 AIB 3 HB21 AIB 3 6.308 -5.925 1.616
18 HB22 AIB 3 HB22 AIB 3 6.275 -4.402 2.504
19 HB23 AIB 3 HB23 AIB 3 7.813 -5.209 2.195
20 H CYS 4 HN CYS 4 6.390 -3.240 -1.780
21 HA CYS 4 HA CYS 4 3.815 -2.237 -1.145
22 HB2 CYS 4 HB2 CYS 4 5.168 -1.192 -2.881
23 HB3 CYS 4 HB1 CYS 4 5.116 -2.664 -3.837
24 H LYS 5 HN LYS 5 4.982 -5.213 -2.555
25 HA LYS 5 HA LYS 5 2.500 -6.189 -3.487
26 HB2 LYS 5 HB2 LYS 5 4.561 -7.221 -4.211
27 HB3 LYS 5 HB1 LYS 5 4.987 -7.632 -2.557
28 HG2 LYS 5 HG2 LYS 5 4.240 -9.610 -3.670
29 HG3 LYS 5 HG1 LYS 5 3.027 -9.146 -2.478
30 HD2 LYS 5 HD2 LYS 5 1.647 -8.177 -4.226
31 HD3 LYS 5 HD1 LYS 5 2.882 -8.544 -5.432
32 HE2 LYS 5 HE2 LYS 5 1.120 -10.205 -5.522
33 HE3 LYS 5 HE1 LYS 5 2.612 -10.944 -4.942
34 HZ1 LYS 5 HZ1 LYS 5 0.373 -10.047 -3.211
35 HZ2 LYS 5 HZ2 LYS 5 1.779 -10.835 -2.696
36 HZ3 LYS 5 HZ3 LYS 5 0.664 -11.647 -3.670
37 H AIB 6 HN AIB 6 4.224 -6.577 -0.427
38 HB11 AIB 6 HB11 AIB 6 3.457 -7.406 2.960
39 HB12 AIB 6 HB12 AIB 6 4.166 -6.079 2.042
40 HB13 AIB 6 HB13 AIB 6 4.684 -7.737 1.735
41 HB21 AIB 6 HB21 AIB 6 1.543 -8.843 0.207
42 HB22 AIB 6 HB22 AIB 6 1.972 -8.992 1.911
43 HB23 AIB 6 HB23 AIB 6 3.175 -9.327 0.668
44 H LEU 7 HN LEU 7 2.655 -4.729 0.807
45 HA LEU 7 HA LEU 7 0.448 -4.216 2.489
46 HB2 LEU 7 HB2 LEU 7 1.591 -2.485 0.295
47 HB3 LEU 7 HB1 LEU 7 0.508 -1.943 1.556
48 HG LEU 7 HG LEU 7 3.314 -2.973 1.991
49 HD11 LEU 7 HD11 LEU 7 3.829 -0.655 2.561
50 HD12 LEU 7 HD12 LEU 7 2.182 -0.184 2.141
51 HD13 LEU 7 HD13 LEU 7 3.268 -0.795 0.894
52 HD21 LEU 7 HD21 LEU 7 1.847 -3.458 3.884
53 HD22 LEU 7 HD22 LEU 7 1.331 -1.773 3.923
54 HD23 LEU 7 HD23 LEU 7 3.004 -2.190 4.289
55 H LYS 8 HN LYS 8 0.749 -4.493 -1.013
56 HA LYS 8 HA LYS 8 -1.833 -3.733 -1.728
57 HB2 LYS 8 HB2 LYS 8 -0.013 -4.028 -3.338
58 HB3 LYS 8 HB1 LYS 8 -0.010 -5.758 -3.039
59 HG2 LYS 8 HG2 LYS 8 -2.324 -5.869 -3.919
60 HG3 LYS 8 HG1 LYS 8 -2.215 -4.153 -4.319
61 HD2 LYS 8 HD2 LYS 8 -0.314 -6.255 -5.353
62 HD3 LYS 8 HD1 LYS 8 -1.739 -5.699 -6.231
63 HE2 LYS 8 HE2 LYS 8 0.476 -3.874 -5.302
64 HE3 LYS 8 HE1 LYS 8 0.423 -4.608 -6.903
65 HZ1 LYS 8 HZ1 LYS 8 -1.641 -3.479 -7.342
66 HZ2 LYS 8 HZ2 LYS 8 -0.475 -2.347 -6.875
67 HZ3 LYS 8 HZ3 LYS 8 -1.671 -2.827 -5.784
68 H AIB 9 HN AIB 9 -0.536 -6.966 -1.089
69 HB11 AIB 9 HB11 AIB 9 -1.774 -10.186 -0.174
70 HB12 AIB 9 HB12 AIB 9 -0.562 -9.026 0.367
71 HB13 AIB 9 HB13 AIB 9 -0.686 -9.440 -1.344
72 HB21 AIB 9 HB21 AIB 9 -2.650 -8.770 -2.633
73 HB22 AIB 9 HB22 AIB 9 -3.922 -7.802 -1.891
74 HB23 AIB 9 HB23 AIB 9 -3.708 -9.487 -1.418
75 H ARG 10 HN ARG 10 -1.499 -6.766 1.376
76 HA ARG 10 HA ARG 10 -3.290 -7.784 3.317
77 HB2 ARG 10 HB2 ARG 10 -1.107 -6.723 3.852
78 HB3 ARG 10 HB1 ARG 10 -1.770 -5.169 3.362
79 HG2 ARG 10 HG2 ARG 10 -3.490 -5.407 5.131
80 HG3 ARG 10 HG1 ARG 10 -2.674 -6.874 5.671
81 HD2 ARG 10 HD2 ARG 10 -1.521 -4.087 5.592
82 HD3 ARG 10 HD1 ARG 10 -1.987 -4.990 7.031
83 HE ARG 10 HE ARG 10 -0.137 -6.591 5.828
84 HH11 ARG 10 HH11 ARG 10 1.518 -3.204 7.229
85 HH12 ARG 10 HH12 ARG 10 -0.196 -3.287 6.976
86 HH21 ARG 10 HH21 ARG 10 2.122 -6.498 6.174
87 HH22 ARG 10 HH22 ARG 10 2.842 -5.039 6.778
88 H TYR 11 HN TYR 11 -3.299 -4.872 1.332
89 HA TYR 11 HA TYR 11 -5.829 -4.032 2.539
90 HB2 TYR 11 HB2 TYR 11 -3.903 -2.568 0.728
91 HB3 TYR 11 HB1 TYR 11 -5.387 -1.885 1.377
92 HD1 TYR 11 HD1 TYR 11 -5.580 -2.074 4.032
93 HD2 TYR 11 HD2 TYR 11 -1.940 -2.116 1.836
94 HE1 TYR 11 HE1 TYR 11 -4.369 -1.330 6.034
95 HE2 TYR 11 HE2 TYR 11 -0.723 -1.374 3.832
96 HH TYR 11 HH TYR 11 -2.033 -1.441 6.924
97 H AIB 12 HN AIB 12 -5.786 -6.259 0.753
98 HB11 AIB 12 HB11 AIB 12 -7.546 -7.895 -0.049
99 HB12 AIB 12 HB12 AIB 12 -6.071 -7.989 -1.011
100 HB13 AIB 12 HB13 AIB 12 -7.643 -7.922 -1.809
101 HB21 AIB 12 HB21 AIB 12 -5.309 -6.079 -2.307
102 HB22 AIB 12 HB22 AIB 12 -6.258 -4.594 -2.357
103 HB23 AIB 12 HB23 AIB 12 -6.871 -6.059 -3.124
104 H GLY 13 HN GLY 13 -8.418 -5.540 1.051
105 HA2 GLY 13 HA2 GLY 13 -10.920 -5.206 -0.349
106 HA3 GLY 13 HA1 GLY 13 -10.665 -5.052 1.382
107 H CYS 14 HN CYS 14 -8.348 -3.239 0.018
108 HA CYS 14 HA CYS 14 -9.987 -0.811 -0.207
109 HB2 CYS 14 HB2 CYS 14 -7.381 -1.049 1.315
110 HB3 CYS 14 HB1 CYS 14 -8.339 0.412 1.126
111 H GLU 15 HN GLU 15 -8.000 0.983 -0.769
112 HA GLU 15 HA GLU 15 -6.452 -0.253 -2.953
113 HB2 GLU 15 HB2 GLU 15 -7.512 2.574 -2.786
114 HB3 GLU 15 HB1 GLU 15 -6.526 1.932 -4.093
115 HG2 GLU 15 HG2 GLU 15 -8.303 0.356 -4.657
116 HG3 GLU 15 HG1 GLU 15 -9.288 1.000 -3.342
117 HN1 MVA 16 HM1 MEV 16 -3.180 -0.589 -3.407
118 HN2 MVA 16 HM2 MEV 16 -4.751 -0.061 -4.006
119 HN3 MVA 16 HM3 MEV 16 -4.654 -1.300 -2.754
120 HA MVA 16 HA MEV 16 -3.244 2.027 -0.884
121 HB MVA 16 HB MEV 16 -3.096 -0.192 0.212
122 HG11 MVA 16 HG11 MEV 16 -1.121 -0.819 -1.969
123 HG12 MVA 16 HG12 MEV 16 -2.628 -1.669 -1.616
124 HG13 MVA 16 HG13 MEV 16 -1.289 -1.731 -0.468
125 HG21 MVA 16 HG21 MEV 16 -0.504 1.219 -0.385
126 HG22 MVA 16 HG22 MEV 16 -0.744 0.071 0.931
127 HG23 MVA 16 HG23 MEV 16 -1.644 1.589 0.910
128 H ARG 17 HN ARG 17 -2.189 3.466 -1.849
129 HA ARG 17 HA ARG 17 -0.652 2.917 -4.259
130 HB2 ARG 17 HB2 ARG 17 -2.163 4.852 -4.231
131 HB3 ARG 17 HB1 ARG 17 -1.326 5.495 -2.829
132 HG2 ARG 17 HG2 ARG 17 0.731 5.650 -4.209
133 HG3 ARG 17 HG1 ARG 17 -0.235 5.178 -5.608
134 HD2 ARG 17 HD2 ARG 17 -1.671 7.128 -5.293
135 HD3 ARG 17 HD1 ARG 17 -0.747 7.588 -3.864
136 HE ARG 17 HE ARG 17 0.445 7.486 -6.562
137 HH11 ARG 17 HH11 ARG 17 0.978 10.427 -3.877
138 HH12 ARG 17 HH12 ARG 17 -0.078 9.103 -3.487
139 HH21 ARG 17 HH21 ARG 17 1.821 9.226 -7.065
140 HH22 ARG 17 HH22 ARG 17 2.066 10.493 -5.905
141 H CYS 18 HN CYS 18 1.255 2.008 -3.705
142 HA CYS 18 HA CYS 18 2.723 2.886 -1.380
143 HB2 CYS 18 HB2 CYS 18 4.413 1.209 -2.182
144 HB3 CYS 18 HB1 CYS 18 2.808 0.539 -1.907
145 H ASP 19 HN ASP 19 4.301 4.375 -1.345
146 HA ASP 19 HA ASP 19 5.540 5.172 -3.879
147 HB2 ASP 19 HB2 ASP 19 3.726 6.788 -3.396
148 HB3 ASP 19 HB1 ASP 19 4.470 7.126 -1.835
149 HA DPR 20 HA DPR 20 9.432 5.547 -1.788
150 HB2 DPR 20 HB2 DPR 20 10.717 3.860 -2.630
151 HB3 DPR 20 HB1 DPR 20 9.567 2.611 -2.147
152 HG2 DPR 20 HG2 DPR 20 9.538 4.379 -4.558
153 HG3 DPR 20 HG1 DPR 20 9.165 2.650 -4.428
154 HD2 DPR 20 HD2 DPR 20 7.239 4.527 -4.572
155 HD3 DPR 20 HD1 DPR 20 7.037 3.040 -3.626
156 HA PRO 21 HA PRO 21 9.221 3.629 2.250
157 HB2 PRO 21 HB2 PRO 21 9.567 5.842 3.701
158 HB3 PRO 21 HB1 PRO 21 10.884 5.176 2.728
159 HG2 PRO 21 HG2 PRO 21 9.046 7.456 2.113
160 HG3 PRO 21 HG1 PRO 21 10.800 7.351 1.891
161 HD2 PRO 21 HD2 PRO 21 8.981 6.948 -0.121
162 HD3 PRO 21 HD1 PRO 21 10.601 6.227 -0.097
163 H ARG 22 HN ARG 22 6.941 5.644 0.805
164 HA ARG 22 HA ARG 22 5.226 5.686 3.202
165 HB2 ARG 22 HB2 ARG 22 4.923 7.297 0.665
166 HB3 ARG 22 HB1 ARG 22 3.994 7.484 2.144
167 HG2 ARG 22 HG2 ARG 22 5.987 8.247 3.314
168 HG3 ARG 22 HG1 ARG 22 6.940 8.030 1.843
169 HD2 ARG 22 HD2 ARG 22 4.660 9.953 2.282
170 HD3 ARG 22 HD1 ARG 22 6.358 10.354 2.030
171 HE ARG 22 HE ARG 22 6.044 9.339 -0.255
172 HH11 ARG 22 HH11 ARG 22 3.374 10.793 1.495
173 HH12 ARG 22 HH12 ARG 22 2.462 11.132 0.060
174 HH21 ARG 22 HH21 ARG 22 3.275 10.553 -1.991
175 HH22 ARG 22 HH22 ARG 22 4.819 9.754 -2.134
176 H TYR 23 HN TYR 23 2.936 5.331 2.850
177 HA TYR 23 HA TYR 23 2.105 4.233 0.311
178 HB2 TYR 23 HB2 TYR 23 1.169 2.197 1.214
179 HB3 TYR 23 HB1 TYR 23 2.886 2.248 1.582
180 HD1 TYR 23 HD1 TYR 23 -0.461 2.106 2.926
181 HD2 TYR 23 HD2 TYR 23 3.622 2.775 3.911
182 HE1 TYR 23 HE1 TYR 23 -0.981 1.726 5.296
183 HE2 TYR 23 HE2 TYR 23 3.115 2.402 6.287
184 HH TYR 23 HH TYR 23 1.149 2.540 7.797
185 H GLU 24 HN GLU 24 -0.024 4.581 -0.084
186 HA GLU 24 HA GLU 24 -1.528 5.950 2.045
187 HB2 GLU 24 HB2 GLU 24 -1.831 6.342 -0.935
188 HB3 GLU 24 HB1 GLU 24 -2.597 7.281 0.337
189 HG2 GLU 24 HG2 GLU 24 -0.369 8.068 1.051
190 HG3 GLU 24 HG1 GLU 24 0.341 7.200 -0.310
191 HN1 MVA 25 HM1 MEV 25 -4.662 5.482 3.250
192 HN2 MVA 25 HM2 MEV 25 -3.524 6.493 2.359
193 HN3 MVA 25 HM3 MEV 25 -2.931 5.332 3.547
194 HA MVA 25 HA MEV 25 -4.599 3.062 0.608
195 HB MVA 25 HB MEV 25 -3.404 1.712 2.134
196 HG11 MVA 25 HG11 MEV 25 -3.094 3.134 4.020
197 HG12 MVA 25 HG12 MEV 25 -3.915 1.670 4.563
198 HG13 MVA 25 HG13 MEV 25 -4.826 3.164 4.349
199 HG21 MVA 25 HG21 MEV 25 -6.348 1.652 2.763
200 HG22 MVA 25 HG22 MEV 25 -5.211 0.346 3.101
201 HG23 MVA 25 HG23 MEV 25 -5.531 0.828 1.435
202 H HIS 26 HN HIS 26 -6.490 3.466 0.008
203 HA HIS 26 HA HIS 26 -8.312 4.933 1.780
204 HB2 HIS 26 HB2 HIS 26 -8.350 4.548 -1.216
205 HB3 HIS 26 HB1 HIS 26 -9.602 5.382 -0.313
206 HD1 HIS 26 HD1 HIS 26 -9.241 7.815 0.157
207 HD2 HIS 26 HD2 HIS 26 -5.788 5.918 -1.176
208 HE1 HIS 26 HE1 HIS 26 -7.574 9.651 -0.251
209 HE2 HIS 26 HE2 HIS 26 -5.445 8.466 -0.893
210 H CYS 27 HN CYS 27 -9.962 3.896 2.648
211 HA CYS 27 HA CYS 27 -10.802 1.345 1.450
212 HB2 CYS 27 HB2 CYS 27 -10.892 2.213 4.345
213 HB3 CYS 27 HB1 CYS 27 -11.542 0.701 3.724
214 HN1 NH2 28 HN1 NH2 28 -12.250 2.511 0.101
215 HN2 NH2 28 HN2 NH2 28 -13.723 3.159 0.727
Start of MODEL 2
1 H1 ASN 1 HT1 ASN 1 9.972 -11.049 -2.385
2 H2 ASN 1 HT2 ASN 1 9.292 -12.311 -1.486
3 H3 ASN 1 HT3 ASN 1 10.081 -11.042 -0.697
4 HA ASN 1 HA ASN 1 7.603 -10.789 -2.292
5 HB2 ASN 1 HB2 ASN 1 7.253 -11.997 -0.164
6 HB3 ASN 1 HB1 ASN 1 8.032 -10.682 0.708
7 HD21 ASN 1 HD21 ASN 1 5.195 -11.690 -1.030
8 HD22 ASN 1 HD22 ASN 1 4.175 -10.393 -0.509
9 H ASP 2 HN ASP 2 7.141 -8.755 -2.879
10 HA ASP 2 HA ASP 2 9.016 -6.664 -2.168
11 HB2 ASP 2 HB2 ASP 2 8.263 -6.948 -4.516
12 HB3 ASP 2 HB1 ASP 2 6.623 -6.550 -4.013
13 H AIB 3 HN AIB 3 8.493 -4.729 -1.162
14 HB11 AIB 3 HB11 AIB 3 8.643 -3.155 0.717
15 HB12 AIB 3 HB12 AIB 3 7.132 -2.344 1.126
16 HB13 AIB 3 HB13 AIB 3 7.704 -2.355 -0.541
17 HB21 AIB 3 HB21 AIB 3 7.800 -5.141 1.816
18 HB22 AIB 3 HB22 AIB 3 6.296 -5.897 1.293
19 HB23 AIB 3 HB23 AIB 3 6.256 -4.360 2.157
20 H CYS 4 HN CYS 4 6.235 -3.426 -2.199
21 HA CYS 4 HA CYS 4 3.691 -2.339 -1.607
22 HB2 CYS 4 HB2 CYS 4 4.929 -3.095 -4.252
23 HB3 CYS 4 HB1 CYS 4 3.453 -2.160 -4.068
24 H LYS 5 HN LYS 5 4.772 -5.476 -2.718
25 HA LYS 5 HA LYS 5 2.191 -6.416 -3.461
26 HB2 LYS 5 HB2 LYS 5 4.323 -7.454 -4.246
27 HB3 LYS 5 HB1 LYS 5 4.593 -8.050 -2.613
28 HG2 LYS 5 HG2 LYS 5 2.549 -9.377 -2.748
29 HG3 LYS 5 HG1 LYS 5 2.257 -8.765 -4.377
30 HD2 LYS 5 HD2 LYS 5 4.393 -9.774 -5.101
31 HD3 LYS 5 HD1 LYS 5 4.593 -10.451 -3.482
32 HE2 LYS 5 HE2 LYS 5 3.672 -12.110 -5.023
33 HE3 LYS 5 HE1 LYS 5 2.521 -11.717 -3.746
34 HZ1 LYS 5 HZ1 LYS 5 1.384 -10.232 -5.297
35 HZ2 LYS 5 HZ2 LYS 5 1.425 -11.815 -5.883
36 HZ3 LYS 5 HZ3 LYS 5 2.472 -10.653 -6.520
37 H AIB 6 HN AIB 6 4.174 -6.646 -0.554
38 HB11 AIB 6 HB11 AIB 6 4.806 -7.520 1.676
39 HB12 AIB 6 HB12 AIB 6 3.642 -7.141 2.947
40 HB13 AIB 6 HB13 AIB 6 4.227 -5.865 1.878
41 HB21 AIB 6 HB21 AIB 6 2.135 -8.836 2.156
42 HB22 AIB 6 HB22 AIB 6 3.299 -9.267 0.905
43 HB23 AIB 6 HB23 AIB 6 1.635 -8.888 0.467
44 H LEU 7 HN LEU 7 2.630 -4.688 0.643
45 HA LEU 7 HA LEU 7 0.512 -4.074 2.387
46 HB2 LEU 7 HB2 LEU 7 1.475 -2.567 -0.042
47 HB3 LEU 7 HB1 LEU 7 0.382 -1.924 1.163
48 HG LEU 7 HG LEU 7 3.242 -2.750 1.680
49 HD11 LEU 7 HD11 LEU 7 3.646 -0.345 1.898
50 HD12 LEU 7 HD12 LEU 7 1.978 -0.023 1.423
51 HD13 LEU 7 HD13 LEU 7 3.096 -0.763 0.277
52 HD21 LEU 7 HD21 LEU 7 1.221 -1.366 3.441
53 HD22 LEU 7 HD22 LEU 7 2.913 -1.648 3.843
54 HD23 LEU 7 HD23 LEU 7 1.816 -3.014 3.646
55 H LYS 8 HN LYS 8 0.564 -4.611 -1.116
56 HA LYS 8 HA LYS 8 -2.123 -3.955 -1.571
57 HB2 LYS 8 HB2 LYS 8 -0.341 -4.184 -3.319
58 HB3 LYS 8 HB1 LYS 8 -0.463 -5.929 -3.142
59 HG2 LYS 8 HG2 LYS 8 -2.767 -5.871 -3.883
60 HG3 LYS 8 HG1 LYS 8 -2.707 -4.111 -3.994
61 HD2 LYS 8 HD2 LYS 8 -0.911 -4.315 -5.679
62 HD3 LYS 8 HD1 LYS 8 -1.076 -6.070 -5.608
63 HE2 LYS 8 HE2 LYS 8 -2.291 -5.167 -7.515
64 HE3 LYS 8 HE1 LYS 8 -3.400 -5.880 -6.347
65 HZ1 LYS 8 HZ1 LYS 8 -3.919 -3.679 -5.529
66 HZ2 LYS 8 HZ2 LYS 8 -4.201 -3.754 -7.192
67 HZ3 LYS 8 HZ3 LYS 8 -2.820 -2.980 -6.607
68 H AIB 9 HN AIB 9 -0.572 -7.084 -0.967
69 HB11 AIB 9 HB11 AIB 9 -1.519 -10.309 0.232
70 HB12 AIB 9 HB12 AIB 9 -0.387 -9.018 0.634
71 HB13 AIB 9 HB13 AIB 9 -0.535 -9.576 -1.033
72 HB21 AIB 9 HB21 AIB 9 -3.562 -9.833 -0.999
73 HB22 AIB 9 HB22 AIB 9 -2.553 -9.181 -2.291
74 HB23 AIB 9 HB23 AIB 9 -3.866 -8.214 -1.624
75 H ARG 10 HN ARG 10 -1.407 -6.854 1.521
76 HA ARG 10 HA ARG 10 -3.045 -7.839 3.604
77 HB2 ARG 10 HB2 ARG 10 -0.883 -6.772 4.009
78 HB3 ARG 10 HB1 ARG 10 -1.498 -5.252 3.380
79 HG2 ARG 10 HG2 ARG 10 -3.001 -5.025 5.223
80 HG3 ARG 10 HG1 ARG 10 -2.593 -6.637 5.815
81 HD2 ARG 10 HD2 ARG 10 -0.683 -4.310 5.591
82 HD3 ARG 10 HD1 ARG 10 -1.444 -4.868 7.080
83 HE ARG 10 HE ARG 10 -0.164 -7.073 6.057
84 HH11 ARG 10 HH11 ARG 10 2.417 -4.370 7.517
85 HH12 ARG 10 HH12 ARG 10 0.825 -3.861 7.045
86 HH21 ARG 10 HH21 ARG 10 1.916 -7.731 6.682
87 HH22 ARG 10 HH22 ARG 10 3.034 -6.563 7.317
88 H TYR 11 HN TYR 11 -3.307 -5.082 1.444
89 HA TYR 11 HA TYR 11 -5.810 -4.276 2.738
90 HB2 TYR 11 HB2 TYR 11 -3.980 -2.839 0.809
91 HB3 TYR 11 HB1 TYR 11 -5.512 -2.191 1.374
92 HD1 TYR 11 HD1 TYR 11 -5.799 -1.861 3.896
93 HD2 TYR 11 HD2 TYR 11 -2.026 -2.524 2.051
94 HE1 TYR 11 HE1 TYR 11 -4.677 -0.913 5.865
95 HE2 TYR 11 HE2 TYR 11 -0.892 -1.582 4.015
96 HH TYR 11 HH TYR 11 -2.564 -0.913 6.965
97 H AIB 12 HN AIB 12 -6.108 -6.552 1.380
98 HB11 AIB 12 HB11 AIB 12 -8.143 -8.021 0.840
99 HB12 AIB 12 HB12 AIB 12 -6.642 -8.577 0.100
100 HB13 AIB 12 HB13 AIB 12 -8.116 -8.476 -0.863
101 HB21 AIB 12 HB21 AIB 12 -5.483 -7.186 -1.535
102 HB22 AIB 12 HB22 AIB 12 -6.173 -5.648 -2.046
103 HB23 AIB 12 HB23 AIB 12 -6.970 -7.161 -2.480
104 H GLY 13 HN GLY 13 -8.678 -5.359 1.251
105 HA2 GLY 13 HA2 GLY 13 -10.843 -4.920 -0.676
106 HA3 GLY 13 HA1 GLY 13 -10.991 -4.825 1.069
107 H CYS 14 HN CYS 14 -8.229 -3.255 -0.141
108 HA CYS 14 HA CYS 14 -9.618 -0.671 -0.233
109 HB2 CYS 14 HB2 CYS 14 -7.087 -1.108 1.346
110 HB3 CYS 14 HB1 CYS 14 -8.074 0.343 1.296
111 H GLU 15 HN GLU 15 -8.150 1.062 -1.065
112 HA GLU 15 HA GLU 15 -6.386 -0.016 -3.138
113 HB2 GLU 15 HB2 GLU 15 -7.564 2.743 -2.756
114 HB3 GLU 15 HB1 GLU 15 -6.504 2.285 -4.081
115 HG2 GLU 15 HG2 GLU 15 -9.191 1.059 -3.511
116 HG3 GLU 15 HG1 GLU 15 -8.874 2.304 -4.716
117 HN1 MVA 16 HM1 MEV 16 -4.541 -1.024 -3.111
118 HN2 MVA 16 HM2 MEV 16 -3.108 -0.189 -3.711
119 HN3 MVA 16 HM3 MEV 16 -4.712 0.345 -4.208
120 HA MVA 16 HA MEV 16 -3.147 2.150 -0.973
121 HB MVA 16 HB MEV 16 -3.222 -0.057 0.118
122 HG11 MVA 16 HG11 MEV 16 -1.196 -0.871 -1.955
123 HG12 MVA 16 HG12 MEV 16 -2.815 -1.543 -1.742
124 HG13 MVA 16 HG13 MEV 16 -1.589 -1.781 -0.496
125 HG21 MVA 16 HG21 MEV 16 -1.631 1.612 0.839
126 HG22 MVA 16 HG22 MEV 16 -0.472 1.068 -0.374
127 HG23 MVA 16 HG23 MEV 16 -0.916 0.005 0.961
128 H ARG 17 HN ARG 17 -1.811 3.472 -1.736
129 HA ARG 17 HA ARG 17 -0.147 2.814 -4.053
130 HB2 ARG 17 HB2 ARG 17 -1.365 4.752 -4.513
131 HB3 ARG 17 HB1 ARG 17 -1.229 5.344 -2.871
132 HG2 ARG 17 HG2 ARG 17 1.181 5.756 -3.281
133 HG3 ARG 17 HG1 ARG 17 0.916 5.310 -4.969
134 HD2 ARG 17 HD2 ARG 17 -0.471 7.156 -5.363
135 HD3 ARG 17 HD1 ARG 17 -0.730 7.439 -3.642
136 HE ARG 17 HE ARG 17 1.998 7.761 -4.139
137 HH11 ARG 17 HH11 ARG 17 -0.354 10.857 -5.181
138 HH12 ARG 17 HH12 ARG 17 -1.039 9.269 -5.025
139 HH21 ARG 17 HH21 ARG 17 2.902 9.854 -4.340
140 HH22 ARG 17 HH22 ARG 17 1.894 11.190 -4.792
141 H CYS 18 HN CYS 18 1.890 2.243 -3.605
142 HA CYS 18 HA CYS 18 2.958 2.866 -0.960
143 HB2 CYS 18 HB2 CYS 18 4.662 1.137 -1.526
144 HB3 CYS 18 HB1 CYS 18 3.007 0.536 -1.580
145 H ASP 19 HN ASP 19 4.368 4.449 -0.669
146 HA ASP 19 HA ASP 19 6.270 5.058 -2.824
147 HB2 ASP 19 HB2 ASP 19 4.694 7.023 -1.166
148 HB3 ASP 19 HB1 ASP 19 6.184 7.475 -1.983
149 HA DPR 20 HA DPR 20 9.591 4.977 -0.010
150 HB2 DPR 20 HB2 DPR 20 10.531 3.231 -1.115
151 HB3 DPR 20 HB1 DPR 20 10.026 2.300 0.299
152 HG2 DPR 20 HG2 DPR 20 9.195 1.631 -2.141
153 HG3 DPR 20 HG1 DPR 20 8.110 1.509 -0.744
154 HD2 DPR 20 HD2 DPR 20 8.225 3.610 -2.876
155 HD3 DPR 20 HD1 DPR 20 6.811 2.859 -2.108
156 HA PRO 21 HA PRO 21 8.642 3.736 4.161
157 HB2 PRO 21 HB2 PRO 21 8.772 6.171 5.290
158 HB3 PRO 21 HB1 PRO 21 10.216 5.316 4.735
159 HG2 PRO 21 HG2 PRO 21 8.666 7.484 3.378
160 HG3 PRO 21 HG1 PRO 21 10.421 7.311 3.549
161 HD2 PRO 21 HD2 PRO 21 9.079 6.620 1.290
162 HD3 PRO 21 HD1 PRO 21 10.566 5.805 1.814
163 H ARG 22 HN ARG 22 6.652 5.665 2.144
164 HA ARG 22 HA ARG 22 4.536 5.590 4.197
165 HB2 ARG 22 HB2 ARG 22 3.596 7.645 3.247
166 HB3 ARG 22 HB1 ARG 22 5.235 7.898 3.829
167 HG2 ARG 22 HG2 ARG 22 6.094 7.835 1.584
168 HG3 ARG 22 HG1 ARG 22 4.499 7.426 0.952
169 HD2 ARG 22 HD2 ARG 22 5.161 9.973 2.427
170 HD3 ARG 22 HD1 ARG 22 5.105 9.823 0.673
171 HE ARG 22 HE ARG 22 2.664 8.966 1.347
172 HH11 ARG 22 HH11 ARG 22 4.480 11.783 2.367
173 HH12 ARG 22 HH12 ARG 22 3.068 12.753 2.638
174 HH21 ARG 22 HH21 ARG 22 0.977 11.869 2.284
175 HH22 ARG 22 HH22 ARG 22 0.798 10.227 1.723
176 H TYR 23 HN TYR 23 2.330 5.550 3.321
177 HA TYR 23 HA TYR 23 1.994 4.804 0.561
178 HB2 TYR 23 HB2 TYR 23 0.871 2.673 1.030
179 HB3 TYR 23 HB1 TYR 23 2.557 2.637 1.521
180 HD1 TYR 23 HD1 TYR 23 -0.913 2.595 2.669
181 HD2 TYR 23 HD2 TYR 23 3.165 2.497 3.866
182 HE1 TYR 23 HE1 TYR 23 -1.593 1.863 4.915
183 HE2 TYR 23 HE2 TYR 23 2.497 1.766 6.111
184 HH TYR 23 HH TYR 23 0.576 1.826 7.569
185 H GLU 24 HN GLU 24 -0.057 5.077 -0.166
186 HA GLU 24 HA GLU 24 -1.891 6.463 1.653
187 HB2 GLU 24 HB2 GLU 24 -1.961 6.270 -1.364
188 HB3 GLU 24 HB1 GLU 24 -2.966 7.302 -0.364
189 HG2 GLU 24 HG2 GLU 24 0.022 7.531 -0.492
190 HG3 GLU 24 HG1 GLU 24 -1.070 8.442 -1.530
191 HN1 MVA 25 HM1 MEV 25 -3.912 6.764 2.066
192 HN2 MVA 25 HM2 MEV 25 -3.009 5.802 3.236
193 HN3 MVA 25 HM3 MEV 25 -4.768 5.679 3.158
194 HA MVA 25 HA MEV 25 -4.698 3.176 0.579
195 HB MVA 25 HB MEV 25 -3.332 2.089 2.238
196 HG11 MVA 25 HG11 MEV 25 -5.105 3.395 4.287
197 HG12 MVA 25 HG12 MEV 25 -3.370 3.629 4.071
198 HG13 MVA 25 HG13 MEV 25 -3.989 2.072 4.623
199 HG21 MVA 25 HG21 MEV 25 -5.270 0.911 1.431
200 HG22 MVA 25 HG22 MEV 25 -6.281 1.663 2.662
201 HG23 MVA 25 HG23 MEV 25 -5.016 0.530 3.134
202 H HIS 26 HN HIS 26 -6.636 3.477 -0.008
203 HA HIS 26 HA HIS 26 -8.542 4.735 1.858
204 HB2 HIS 26 HB2 HIS 26 -8.421 4.751 -1.154
205 HB3 HIS 26 HB1 HIS 26 -9.873 5.194 -0.272
206 HD1 HIS 26 HD1 HIS 26 -10.100 7.613 0.109
207 HD2 HIS 26 HD2 HIS 26 -6.120 6.471 -0.222
208 HE1 HIS 26 HE1 HIS 26 -8.776 9.741 0.251
209 HE2 HIS 26 HE2 HIS 26 -6.368 9.003 0.229
210 H CYS 27 HN CYS 27 -9.928 3.370 2.717
211 HA CYS 27 HA CYS 27 -10.562 0.884 1.316
212 HB2 CYS 27 HB2 CYS 27 -11.113 1.754 4.157
213 HB3 CYS 27 HB1 CYS 27 -11.545 0.188 3.480
214 HN1 NH2 28 HN1 NH2 28 -11.995 1.620 -0.217
215 HN2 NH2 28 HN2 NH2 28 -13.551 2.261 0.172
Start of MODEL 3
1 H1 ASN 1 HT1 ASN 1 10.051 -11.461 -1.150
2 H2 ASN 1 HT2 ASN 1 9.362 -11.493 -2.693
3 H3 ASN 1 HT3 ASN 1 8.817 -12.560 -1.501
4 HA ASN 1 HA ASN 1 7.261 -10.764 -1.830
5 HB2 ASN 1 HB2 ASN 1 8.748 -10.856 0.796
6 HB3 ASN 1 HB1 ASN 1 7.290 -9.896 0.579
7 HD21 ASN 1 HD21 ASN 1 6.187 -11.112 2.111
8 HD22 ASN 1 HD22 ASN 1 5.625 -12.715 1.772
9 H ASP 2 HN ASP 2 6.786 -8.505 -1.490
10 HA ASP 2 HA ASP 2 9.072 -6.701 -1.437
11 HB2 ASP 2 HB2 ASP 2 8.671 -7.084 -3.824
12 HB3 ASP 2 HB1 ASP 2 6.973 -6.674 -3.617
13 H AIB 3 HN AIB 3 8.477 -4.524 -0.915
14 HB11 AIB 3 HB11 AIB 3 8.485 -2.654 0.698
15 HB12 AIB 3 HB12 AIB 3 6.943 -1.808 0.819
16 HB13 AIB 3 HB13 AIB 3 7.658 -2.118 -0.763
17 HB21 AIB 3 HB21 AIB 3 6.056 -3.632 2.158
18 HB22 AIB 3 HB22 AIB 3 7.608 -4.461 2.029
19 HB23 AIB 3 HB23 AIB 3 6.123 -5.293 1.569
20 H CYS 4 HN CYS 4 6.249 -3.278 -2.270
21 HA CYS 4 HA CYS 4 3.648 -2.242 -1.907
22 HB2 CYS 4 HB2 CYS 4 4.989 -3.233 -4.423
23 HB3 CYS 4 HB1 CYS 4 3.497 -2.309 -4.375
24 H LYS 5 HN LYS 5 4.859 -5.412 -2.822
25 HA LYS 5 HA LYS 5 2.404 -6.583 -3.537
26 HB2 LYS 5 HB2 LYS 5 4.589 -7.605 -4.045
27 HB3 LYS 5 HB1 LYS 5 4.860 -7.882 -2.332
28 HG2 LYS 5 HG2 LYS 5 2.836 -9.349 -2.327
29 HG3 LYS 5 HG1 LYS 5 2.780 -9.174 -4.084
30 HD2 LYS 5 HD2 LYS 5 5.056 -10.101 -4.227
31 HD3 LYS 5 HD1 LYS 5 5.068 -10.315 -2.476
32 HE2 LYS 5 HE2 LYS 5 4.538 -12.419 -3.523
33 HE3 LYS 5 HE1 LYS 5 3.107 -11.813 -2.690
34 HZ1 LYS 5 HZ1 LYS 5 2.272 -11.002 -4.822
35 HZ2 LYS 5 HZ2 LYS 5 2.541 -12.670 -4.862
36 HZ3 LYS 5 HZ3 LYS 5 3.637 -11.623 -5.605
37 H AIB 6 HN AIB 6 4.169 -6.533 -0.476
38 HB11 AIB 6 HB11 AIB 6 3.508 -6.999 2.995
39 HB12 AIB 6 HB12 AIB 6 4.154 -5.749 1.934
40 HB13 AIB 6 HB13 AIB 6 4.705 -7.417 1.769
41 HB21 AIB 6 HB21 AIB 6 3.188 -9.145 0.999
42 HB22 AIB 6 HB22 AIB 6 1.564 -8.741 0.441
43 HB23 AIB 6 HB23 AIB 6 1.951 -8.663 2.161
44 H LEU 7 HN LEU 7 2.586 -4.571 0.541
45 HA LEU 7 HA LEU 7 0.468 -3.918 2.287
46 HB2 LEU 7 HB2 LEU 7 1.481 -2.383 -0.101
47 HB3 LEU 7 HB1 LEU 7 0.465 -1.740 1.170
48 HG LEU 7 HG LEU 7 3.295 -2.728 1.537
49 HD11 LEU 7 HD11 LEU 7 3.844 -0.373 1.859
50 HD12 LEU 7 HD12 LEU 7 2.175 0.068 1.499
51 HD13 LEU 7 HD13 LEU 7 3.183 -0.659 0.248
52 HD21 LEU 7 HD21 LEU 7 1.940 -3.038 3.540
53 HD22 LEU 7 HD22 LEU 7 1.411 -1.357 3.452
54 HD23 LEU 7 HD23 LEU 7 3.104 -1.733 3.767
55 H LYS 8 HN LYS 8 0.577 -4.576 -1.183
56 HA LYS 8 HA LYS 8 -2.090 -3.886 -1.728
57 HB2 LYS 8 HB2 LYS 8 -0.137 -5.701 -3.109
58 HB3 LYS 8 HB1 LYS 8 -1.785 -5.524 -3.692
59 HG2 LYS 8 HG2 LYS 8 -1.421 -3.104 -3.933
60 HG3 LYS 8 HG1 LYS 8 0.246 -3.318 -3.402
61 HD2 LYS 8 HD2 LYS 8 0.116 -3.181 -5.832
62 HD3 LYS 8 HD1 LYS 8 0.671 -4.776 -5.320
63 HE2 LYS 8 HE2 LYS 8 -0.978 -4.893 -7.151
64 HE3 LYS 8 HE1 LYS 8 -1.540 -5.700 -5.689
65 HZ1 LYS 8 HZ1 LYS 8 -3.283 -4.366 -6.680
66 HZ2 LYS 8 HZ2 LYS 8 -2.326 -2.978 -6.578
67 HZ3 LYS 8 HZ3 LYS 8 -2.861 -3.740 -5.169
68 H AIB 9 HN AIB 9 -0.633 -7.044 -1.028
69 HB11 AIB 9 HB11 AIB 9 -0.493 -8.946 0.596
70 HB12 AIB 9 HB12 AIB 9 -0.724 -9.539 -1.048
71 HB13 AIB 9 HB13 AIB 9 -1.697 -10.191 0.269
72 HB21 AIB 9 HB21 AIB 9 -4.043 -8.058 -1.525
73 HB22 AIB 9 HB22 AIB 9 -3.709 -9.691 -0.950
74 HB23 AIB 9 HB23 AIB 9 -2.769 -9.016 -2.280
75 H ARG 10 HN ARG 10 -1.396 -6.732 1.462
76 HA ARG 10 HA ARG 10 -2.928 -7.606 3.653
77 HB2 ARG 10 HB2 ARG 10 -0.742 -6.523 3.849
78 HB3 ARG 10 HB1 ARG 10 -1.415 -5.029 3.223
79 HG2 ARG 10 HG2 ARG 10 -2.767 -4.753 5.178
80 HG3 ARG 10 HG1 ARG 10 -2.270 -6.335 5.790
81 HD2 ARG 10 HD2 ARG 10 0.019 -5.595 5.965
82 HD3 ARG 10 HD1 ARG 10 -0.392 -4.046 5.232
83 HE ARG 10 HE ARG 10 -1.974 -4.075 7.393
84 HH11 ARG 10 HH11 ARG 10 1.868 -4.212 8.561
85 HH12 ARG 10 HH12 ARG 10 1.427 -4.787 6.985
86 HH21 ARG 10 HH21 ARG 10 -1.395 -3.309 9.474
87 HH22 ARG 10 HH22 ARG 10 0.266 -3.371 9.973
88 H TYR 11 HN TYR 11 -3.328 -4.921 1.404
89 HA TYR 11 HA TYR 11 -5.798 -4.168 2.816
90 HB2 TYR 11 HB2 TYR 11 -4.028 -2.538 0.986
91 HB3 TYR 11 HB1 TYR 11 -5.513 -1.963 1.736
92 HD1 TYR 11 HD1 TYR 11 -5.609 -2.071 4.325
93 HD2 TYR 11 HD2 TYR 11 -1.996 -2.248 2.088
94 HE1 TYR 11 HE1 TYR 11 -4.351 -1.379 6.317
95 HE2 TYR 11 HE2 TYR 11 -0.727 -1.556 4.076
96 HH TYR 11 HH TYR 11 -1.080 -0.387 6.195
97 H AIB 12 HN AIB 12 -5.984 -6.335 1.194
98 HB11 AIB 12 HB11 AIB 12 -6.441 -8.198 -0.326
99 HB12 AIB 12 HB12 AIB 12 -7.943 -8.069 -1.243
100 HB13 AIB 12 HB13 AIB 12 -7.957 -7.851 0.507
101 HB21 AIB 12 HB21 AIB 12 -5.458 -6.524 -1.834
102 HB22 AIB 12 HB22 AIB 12 -6.259 -4.972 -2.076
103 HB23 AIB 12 HB23 AIB 12 -6.996 -6.449 -2.694
104 H GLY 13 HN GLY 13 -8.610 -5.365 1.342
105 HA2 GLY 13 HA2 GLY 13 -10.976 -4.906 -0.264
106 HA3 GLY 13 HA1 GLY 13 -10.845 -4.718 1.476
107 H CYS 14 HN CYS 14 -8.337 -3.135 -0.100
108 HA CYS 14 HA CYS 14 -9.806 -0.605 -0.274
109 HB2 CYS 14 HB2 CYS 14 -7.199 -0.903 1.219
110 HB3 CYS 14 HB1 CYS 14 -8.187 0.544 1.098
111 H GLU 15 HN GLU 15 -8.027 1.135 -1.005
112 HA GLU 15 HA GLU 15 -6.439 -0.102 -3.152
113 HB2 GLU 15 HB2 GLU 15 -7.598 2.681 -2.954
114 HB3 GLU 15 HB1 GLU 15 -6.534 2.136 -4.244
115 HG2 GLU 15 HG2 GLU 15 -8.191 0.440 -4.873
116 HG3 GLU 15 HG1 GLU 15 -9.259 1.032 -3.601
117 HN1 MVA 16 HM1 MEV 16 -5.370 -1.279 -2.076
118 HN2 MVA 16 HM2 MEV 16 -3.619 -1.451 -2.088
119 HN3 MVA 16 HM3 MEV 16 -4.457 -0.867 -3.524
120 HA MVA 16 HA MEV 16 -3.181 1.773 -0.700
121 HB MVA 16 HB MEV 16 -2.881 -0.856 -0.355
122 HG11 MVA 16 HG11 MEV 16 -0.814 -1.704 -1.229
123 HG12 MVA 16 HG12 MEV 16 -0.470 -0.175 -2.032
124 HG13 MVA 16 HG13 MEV 16 -1.807 -1.178 -2.588
125 HG21 MVA 16 HG21 MEV 16 -0.823 -0.363 0.877
126 HG22 MVA 16 HG22 MEV 16 -2.053 0.872 1.133
127 HG23 MVA 16 HG23 MEV 16 -0.699 1.183 0.045
128 H ARG 17 HN ARG 17 -1.487 2.986 -1.262
129 HA ARG 17 HA ARG 17 -0.349 2.678 -3.963
130 HB2 ARG 17 HB2 ARG 17 -0.781 5.297 -2.521
131 HB3 ARG 17 HB1 ARG 17 -0.146 5.086 -4.140
132 HG2 ARG 17 HG2 ARG 17 -2.295 4.290 -4.913
133 HG3 ARG 17 HG1 ARG 17 -2.945 4.405 -3.273
134 HD2 ARG 17 HD2 ARG 17 -2.381 6.844 -3.314
135 HD3 ARG 17 HD1 ARG 17 -1.969 6.664 -5.017
136 HE ARG 17 HE ARG 17 -4.456 5.732 -5.014
137 HH11 ARG 17 HH11 ARG 17 -4.562 9.488 -3.590
138 HH12 ARG 17 HH12 ARG 17 -3.085 8.576 -3.495
139 HH21 ARG 17 HH21 ARG 17 -6.398 6.936 -5.135
140 HH22 ARG 17 HH22 ARG 17 -6.439 8.559 -4.517
141 H CYS 18 HN CYS 18 1.695 1.960 -3.610
142 HA CYS 18 HA CYS 18 3.007 2.673 -1.125
143 HB2 CYS 18 HB2 CYS 18 4.801 1.122 -1.894
144 HB3 CYS 18 HB1 CYS 18 3.213 0.372 -1.790
145 H ASP 19 HN ASP 19 4.325 4.299 -0.887
146 HA ASP 19 HA ASP 19 5.722 5.402 -3.225
147 HB2 ASP 19 HB2 ASP 19 3.684 6.756 -2.523
148 HB3 ASP 19 HB1 ASP 19 4.528 7.084 -1.014
149 HA DPR 20 HA DPR 20 9.416 5.582 -0.739
150 HB2 DPR 20 HB2 DPR 20 10.810 3.998 -1.599
151 HB3 DPR 20 HB1 DPR 20 9.665 2.688 -1.297
152 HG2 DPR 20 HG2 DPR 20 9.770 4.618 -3.581
153 HG3 DPR 20 HG1 DPR 20 9.450 2.873 -3.601
154 HD2 DPR 20 HD2 DPR 20 7.470 4.679 -3.787
155 HD3 DPR 20 HD1 DPR 20 7.250 3.145 -2.922
156 HA PRO 21 HA PRO 21 8.870 3.262 3.072
157 HB2 PRO 21 HB2 PRO 21 9.261 5.293 4.756
158 HB3 PRO 21 HB1 PRO 21 10.596 4.630 3.807
159 HG2 PRO 21 HG2 PRO 21 8.955 7.081 3.297
160 HG3 PRO 21 HG1 PRO 21 10.714 6.879 3.199
161 HD2 PRO 21 HD2 PRO 21 9.056 6.798 1.022
162 HD3 PRO 21 HD1 PRO 21 10.609 5.944 1.105
163 H ARG 22 HN ARG 22 6.852 5.583 1.696
164 HA ARG 22 HA ARG 22 4.933 5.439 3.936
165 HB2 ARG 22 HB2 ARG 22 5.791 7.707 3.526
166 HB3 ARG 22 HB1 ARG 22 5.318 7.593 1.841
167 HG2 ARG 22 HG2 ARG 22 2.981 7.531 2.464
168 HG3 ARG 22 HG1 ARG 22 3.417 7.554 4.175
169 HD2 ARG 22 HD2 ARG 22 4.145 9.719 2.210
170 HD3 ARG 22 HD1 ARG 22 2.721 9.771 3.247
171 HE ARG 22 HE ARG 22 4.743 9.383 5.003
172 HH11 ARG 22 HH11 ARG 22 4.272 11.726 2.440
173 HH12 ARG 22 HH12 ARG 22 5.131 12.983 3.271
174 HH21 ARG 22 HH21 ARG 22 6.031 12.593 5.342
175 HH22 ARG 22 HH22 ARG 22 5.854 11.036 6.093
176 H TYR 23 HN TYR 23 2.673 5.224 3.326
177 HA TYR 23 HA TYR 23 2.122 4.741 0.521
178 HB2 TYR 23 HB2 TYR 23 1.097 2.568 0.885
179 HB3 TYR 23 HB1 TYR 23 2.786 2.533 1.359
180 HD1 TYR 23 HD1 TYR 23 -0.672 2.348 2.527
181 HD2 TYR 23 HD2 TYR 23 3.417 2.278 3.694
182 HE1 TYR 23 HE1 TYR 23 -1.317 1.417 4.706
183 HE2 TYR 23 HE2 TYR 23 2.784 1.352 5.882
184 HH TYR 23 HH TYR 23 0.850 1.230 7.338
185 H GLU 24 HN GLU 24 -0.026 4.859 -0.039
186 HA GLU 24 HA GLU 24 -1.810 6.014 1.986
187 HB2 GLU 24 HB2 GLU 24 -1.943 5.973 -1.029
188 HB3 GLU 24 HB1 GLU 24 -3.253 6.549 -0.018
189 HG2 GLU 24 HG2 GLU 24 -1.654 8.228 0.929
190 HG3 GLU 24 HG1 GLU 24 -0.516 7.734 -0.328
191 HN1 MVA 25 HM1 MEV 25 -3.935 6.361 2.098
192 HN2 MVA 25 HM2 MEV 25 -3.244 5.483 3.462
193 HN3 MVA 25 HM3 MEV 25 -4.967 5.353 3.107
194 HA MVA 25 HA MEV 25 -4.592 2.710 0.760
195 HB MVA 25 HB MEV 25 -3.430 1.593 2.506
196 HG11 MVA 25 HG11 MEV 25 -4.043 1.794 4.879
197 HG12 MVA 25 HG12 MEV 25 -5.090 3.153 4.472
198 HG13 MVA 25 HG13 MEV 25 -3.348 3.277 4.222
199 HG21 MVA 25 HG21 MEV 25 -6.403 1.462 2.948
200 HG22 MVA 25 HG22 MEV 25 -5.240 0.253 3.494
201 HG23 MVA 25 HG23 MEV 25 -5.466 0.544 1.768
202 H HIS 26 HN HIS 26 -6.351 3.459 -0.100
203 HA HIS 26 HA HIS 26 -8.286 4.866 1.594
204 HB2 HIS 26 HB2 HIS 26 -8.111 4.681 -1.417
205 HB3 HIS 26 HB1 HIS 26 -9.316 5.602 -0.528
206 HD1 HIS 26 HD1 HIS 26 -8.590 7.862 0.472
207 HD2 HIS 26 HD2 HIS 26 -5.528 5.817 -1.469
208 HE1 HIS 26 HE1 HIS 26 -6.712 9.515 0.238
209 HE2 HIS 26 HE2 HIS 26 -4.856 8.266 -0.921
210 H CYS 27 HN CYS 27 -9.778 3.634 2.445
211 HA CYS 27 HA CYS 27 -10.668 1.226 1.049
212 HB2 CYS 27 HB2 CYS 27 -11.214 2.127 3.884
213 HB3 CYS 27 HB1 CYS 27 -11.588 0.550 3.198
214 HN1 NH2 28 HN1 NH2 28 -11.974 2.305 -0.483
215 HN2 NH2 28 HN2 NH2 28 -13.487 3.012 -0.046
Start of MODEL 4
1 H1 ASN 1 HT1 ASN 1 9.187 -10.830 -3.358
2 H2 ASN 1 HT2 ASN 1 8.554 -12.144 -2.508
3 H3 ASN 1 HT3 ASN 1 9.663 -11.110 -1.762
4 HA ASN 1 HA ASN 1 6.939 -10.366 -2.654
5 HB2 ASN 1 HB2 ASN 1 7.186 -11.880 -0.602
6 HB3 ASN 1 HB1 ASN 1 8.007 -10.531 0.172
7 HD21 ASN 1 HD21 ASN 1 5.557 -11.854 0.926
8 HD22 ASN 1 HD22 ASN 1 4.325 -10.641 0.935
9 H ASP 2 HN ASP 2 6.567 -8.200 -2.743
10 HA ASP 2 HA ASP 2 8.812 -6.435 -2.020
11 HB2 ASP 2 HB2 ASP 2 6.628 -5.903 -4.043
12 HB3 ASP 2 HB1 ASP 2 8.022 -4.888 -3.721
13 H AIB 3 HN AIB 3 8.178 -4.231 -1.343
14 HB11 AIB 3 HB11 AIB 3 7.236 -1.867 -0.939
15 HB12 AIB 3 HB12 AIB 3 8.195 -2.461 0.414
16 HB13 AIB 3 HB13 AIB 3 6.619 -1.728 0.706
17 HB21 AIB 3 HB21 AIB 3 5.865 -3.716 1.928
18 HB22 AIB 3 HB22 AIB 3 7.487 -4.367 1.693
19 HB23 AIB 3 HB23 AIB 3 6.081 -5.318 1.220
20 H CYS 4 HN CYS 4 5.862 -3.049 -2.453
21 HA CYS 4 HA CYS 4 3.235 -2.183 -2.045
22 HB2 CYS 4 HB2 CYS 4 4.527 -3.232 -4.567
23 HB3 CYS 4 HB1 CYS 4 3.008 -2.351 -4.501
24 H LYS 5 HN LYS 5 4.512 -5.340 -2.937
25 HA LYS 5 HA LYS 5 2.059 -6.583 -3.552
26 HB2 LYS 5 HB2 LYS 5 4.553 -7.871 -2.419
27 HB3 LYS 5 HB1 LYS 5 3.270 -8.686 -3.302
28 HG2 LYS 5 HG2 LYS 5 4.855 -6.478 -4.561
29 HG3 LYS 5 HG1 LYS 5 5.455 -8.136 -4.531
30 HD2 LYS 5 HD2 LYS 5 3.507 -8.901 -5.738
31 HD3 LYS 5 HD1 LYS 5 2.796 -7.288 -5.672
32 HE2 LYS 5 HE2 LYS 5 3.833 -7.786 -7.856
33 HE3 LYS 5 HE1 LYS 5 4.569 -6.401 -7.052
34 HZ1 LYS 5 HZ1 LYS 5 5.678 -9.156 -7.031
35 HZ2 LYS 5 HZ2 LYS 5 6.411 -7.776 -6.376
36 HZ3 LYS 5 HZ3 LYS 5 6.201 -7.913 -8.050
37 H AIB 6 HN AIB 6 4.009 -6.521 -0.610
38 HB11 AIB 6 HB11 AIB 6 4.160 -5.777 1.802
39 HB12 AIB 6 HB12 AIB 6 4.691 -7.444 1.580
40 HB13 AIB 6 HB13 AIB 6 3.581 -7.039 2.890
41 HB21 AIB 6 HB21 AIB 6 3.136 -9.152 0.909
42 HB22 AIB 6 HB22 AIB 6 1.491 -8.749 0.425
43 HB23 AIB 6 HB23 AIB 6 1.947 -8.688 2.127
44 H LEU 7 HN LEU 7 2.441 -4.595 0.441
45 HA LEU 7 HA LEU 7 0.512 -3.911 2.383
46 HB2 LEU 7 HB2 LEU 7 1.363 -2.465 -0.118
47 HB3 LEU 7 HB1 LEU 7 0.311 -1.780 1.101
48 HG LEU 7 HG LEU 7 3.151 -2.665 1.615
49 HD11 LEU 7 HD11 LEU 7 3.134 -0.779 0.095
50 HD12 LEU 7 HD12 LEU 7 3.650 -0.256 1.696
51 HD13 LEU 7 HD13 LEU 7 2.012 0.085 1.143
52 HD21 LEU 7 HD21 LEU 7 2.881 -1.401 3.697
53 HD22 LEU 7 HD22 LEU 7 1.731 -2.733 3.593
54 HD23 LEU 7 HD23 LEU 7 1.198 -1.082 3.280
55 H LYS 8 HN LYS 8 0.237 -4.500 -1.114
56 HA LYS 8 HA LYS 8 -2.509 -3.850 -1.226
57 HB2 LYS 8 HB2 LYS 8 -0.787 -5.495 -3.073
58 HB3 LYS 8 HB1 LYS 8 -2.470 -5.111 -3.411
59 HG2 LYS 8 HG2 LYS 8 -1.877 -2.695 -3.260
60 HG3 LYS 8 HG1 LYS 8 -0.186 -3.173 -3.118
61 HD2 LYS 8 HD2 LYS 8 -0.325 -4.290 -5.290
62 HD3 LYS 8 HD1 LYS 8 -2.015 -3.803 -5.432
63 HE2 LYS 8 HE2 LYS 8 -1.298 -1.436 -5.297
64 HE3 LYS 8 HE1 LYS 8 0.380 -1.976 -5.277
65 HZ1 LYS 8 HZ1 LYS 8 -0.312 -1.319 -7.490
66 HZ2 LYS 8 HZ2 LYS 8 -1.563 -2.454 -7.468
67 HZ3 LYS 8 HZ3 LYS 8 0.046 -2.972 -7.452
68 H AIB 9 HN AIB 9 -0.807 -6.928 -0.861
69 HB11 AIB 9 HB11 AIB 9 -0.694 -9.398 -0.991
70 HB12 AIB 9 HB12 AIB 9 -1.575 -10.223 0.295
71 HB13 AIB 9 HB13 AIB 9 -0.454 -8.921 0.689
72 HB21 AIB 9 HB21 AIB 9 -2.861 -9.064 -2.057
73 HB22 AIB 9 HB22 AIB 9 -4.128 -8.143 -1.251
74 HB23 AIB 9 HB23 AIB 9 -3.727 -9.766 -0.690
75 H ARG 10 HN ARG 10 -1.351 -6.893 1.738
76 HA ARG 10 HA ARG 10 -2.812 -7.900 3.923
77 HB2 ARG 10 HB2 ARG 10 -0.677 -6.824 4.245
78 HB3 ARG 10 HB1 ARG 10 -1.277 -5.325 3.553
79 HG2 ARG 10 HG2 ARG 10 -2.840 -5.119 5.444
80 HG3 ARG 10 HG1 ARG 10 -2.122 -6.568 6.154
81 HD2 ARG 10 HD2 ARG 10 0.002 -5.496 6.364
82 HD3 ARG 10 HD1 ARG 10 -0.546 -4.107 5.428
83 HE ARG 10 HE ARG 10 -2.150 -4.478 7.745
84 HH11 ARG 10 HH11 ARG 10 1.153 -2.196 8.013
85 HH12 ARG 10 HH12 ARG 10 0.990 -3.329 6.709
86 HH21 ARG 10 HH21 ARG 10 -1.936 -2.991 9.479
87 HH22 ARG 10 HH22 ARG 10 -0.508 -2.011 9.595
88 H TYR 11 HN TYR 11 -3.222 -5.014 1.942
89 HA TYR 11 HA TYR 11 -5.620 -4.290 3.426
90 HB2 TYR 11 HB2 TYR 11 -3.996 -2.867 1.321
91 HB3 TYR 11 HB1 TYR 11 -5.529 -2.251 1.926
92 HD1 TYR 11 HD1 TYR 11 -5.730 -1.787 4.429
93 HD2 TYR 11 HD2 TYR 11 -2.015 -2.483 2.482
94 HE1 TYR 11 HE1 TYR 11 -4.552 -0.716 6.300
95 HE2 TYR 11 HE2 TYR 11 -0.826 -1.421 4.350
96 HH TYR 11 HH TYR 11 -1.202 0.098 6.140
97 H AIB 12 HN AIB 12 -6.122 -6.554 2.308
98 HB11 AIB 12 HB11 AIB 12 -6.993 -8.653 1.359
99 HB12 AIB 12 HB12 AIB 12 -8.582 -8.501 0.611
100 HB13 AIB 12 HB13 AIB 12 -8.311 -7.876 2.236
101 HB21 AIB 12 HB21 AIB 12 -5.956 -7.575 -0.536
102 HB22 AIB 12 HB22 AIB 12 -6.537 -6.019 -1.126
103 HB23 AIB 12 HB23 AIB 12 -7.534 -7.463 -1.309
104 H GLY 13 HN GLY 13 -8.496 -5.747 -1.451
105 HA2 GLY 13 HA2 GLY 13 -10.667 -4.987 -1.904
106 HA3 GLY 13 HA1 GLY 13 -10.980 -4.914 -0.178
107 H CYS 14 HN CYS 14 -8.159 -3.457 -0.242
108 HA CYS 14 HA CYS 14 -9.356 -0.813 -0.752
109 HB2 CYS 14 HB2 CYS 14 -7.129 -1.430 1.184
110 HB3 CYS 14 HB1 CYS 14 -8.034 0.070 1.040
111 H GLU 15 HN GLU 15 -8.017 0.792 -1.626
112 HA GLU 15 HA GLU 15 -5.913 -0.232 -3.356
113 HB2 GLU 15 HB2 GLU 15 -7.071 2.555 -3.144
114 HB3 GLU 15 HB1 GLU 15 -6.024 1.959 -4.425
115 HG2 GLU 15 HG2 GLU 15 -7.734 0.459 -5.192
116 HG3 GLU 15 HG1 GLU 15 -8.773 0.894 -3.837
117 HN1 MVA 16 HM1 MEV 16 -4.267 0.610 -4.393
118 HN2 MVA 16 HM2 MEV 16 -3.814 -0.830 -3.482
119 HN3 MVA 16 HM3 MEV 16 -2.587 0.358 -3.924
120 HA MVA 16 HA MEV 16 -3.070 2.309 -0.997
121 HB MVA 16 HB MEV 16 -3.072 0.217 0.179
122 HG11 MVA 16 HG11 MEV 16 -2.731 -1.357 -1.615
123 HG12 MVA 16 HG12 MEV 16 -1.521 -1.597 -0.354
124 HG13 MVA 16 HG13 MEV 16 -1.084 -0.769 -1.851
125 HG21 MVA 16 HG21 MEV 16 -0.255 1.131 -0.351
126 HG22 MVA 16 HG22 MEV 16 -0.818 0.250 1.071
127 HG23 MVA 16 HG23 MEV 16 -1.393 1.889 0.762
128 H ARG 17 HN ARG 17 -1.982 3.794 -1.896
129 HA ARG 17 HA ARG 17 -0.172 3.380 -4.089
130 HB2 ARG 17 HB2 ARG 17 -0.501 5.843 -2.369
131 HB3 ARG 17 HB1 ARG 17 0.194 5.760 -3.978
132 HG2 ARG 17 HG2 ARG 17 -1.945 5.235 -4.933
133 HG3 ARG 17 HG1 ARG 17 -2.675 5.147 -3.330
134 HD2 ARG 17 HD2 ARG 17 -2.138 7.528 -2.981
135 HD3 ARG 17 HD1 ARG 17 -1.476 7.602 -4.615
136 HE ARG 17 HE ARG 17 -3.837 6.884 -5.299
137 HH11 ARG 17 HH11 ARG 17 -4.649 9.705 -2.557
138 HH12 ARG 17 HH12 ARG 17 -3.114 8.889 -2.512
139 HH21 ARG 17 HH21 ARG 17 -5.856 7.955 -5.344
140 HH22 ARG 17 HH22 ARG 17 -6.206 9.180 -4.163
141 H CYS 18 HN CYS 18 1.655 2.325 -3.632
142 HA CYS 18 HA CYS 18 2.856 2.585 -1.009
143 HB2 CYS 18 HB2 CYS 18 4.378 0.767 -1.890
144 HB3 CYS 18 HB1 CYS 18 2.669 0.354 -1.797
145 H ASP 19 HN ASP 19 4.584 3.719 -0.538
146 HA ASP 19 HA ASP 19 6.500 4.423 -2.646
147 HB2 ASP 19 HB2 ASP 19 5.365 6.278 -0.545
148 HB3 ASP 19 HB1 ASP 19 6.872 6.610 -1.389
149 HA DPR 20 HA DPR 20 9.630 2.912 0.131
150 HB2 DPR 20 HB2 DPR 20 10.141 0.790 -0.516
151 HB3 DPR 20 HB1 DPR 20 8.496 0.205 -0.243
152 HG2 DPR 20 HG2 DPR 20 9.622 1.656 -2.607
153 HG3 DPR 20 HG1 DPR 20 8.511 0.273 -2.566
154 HD2 DPR 20 HD2 DPR 20 7.639 2.778 -3.007
155 HD3 DPR 20 HD1 DPR 20 6.674 1.604 -2.091
156 HA PRO 21 HA PRO 21 8.006 1.567 4.086
157 HB2 PRO 21 HB2 PRO 21 8.790 3.716 5.510
158 HB3 PRO 21 HB1 PRO 21 9.934 2.489 4.956
159 HG2 PRO 21 HG2 PRO 21 9.297 5.155 3.755
160 HG3 PRO 21 HG1 PRO 21 10.880 4.410 4.034
161 HD2 PRO 21 HD2 PRO 21 9.671 4.382 1.614
162 HD3 PRO 21 HD1 PRO 21 10.716 3.061 2.170
163 H ARG 22 HN ARG 22 7.058 4.321 2.270
164 HA ARG 22 HA ARG 22 4.894 4.946 4.163
165 HB2 ARG 22 HB2 ARG 22 5.972 6.492 1.799
166 HB3 ARG 22 HB1 ARG 22 4.589 6.990 2.764
167 HG2 ARG 22 HG2 ARG 22 5.990 7.215 4.719
168 HG3 ARG 22 HG1 ARG 22 7.383 6.610 3.818
169 HD2 ARG 22 HD2 ARG 22 5.837 9.122 3.178
170 HD3 ARG 22 HD1 ARG 22 7.386 9.069 4.018
171 HE ARG 22 HE ARG 22 8.291 8.056 1.920
172 HH11 ARG 22 HH11 ARG 22 5.406 10.044 1.814
173 HH12 ARG 22 HH12 ARG 22 5.660 10.538 0.173
174 HH21 ARG 22 HH21 ARG 22 7.492 9.782 -0.994
175 HH22 ARG 22 HH22 ARG 22 8.620 8.703 -0.234
176 H TYR 23 HN TYR 23 2.740 5.167 3.351
177 HA TYR 23 HA TYR 23 2.136 4.443 0.652
178 HB2 TYR 23 HB2 TYR 23 0.822 2.440 1.166
179 HB3 TYR 23 HB1 TYR 23 2.518 2.214 1.561
180 HD1 TYR 23 HD1 TYR 23 -0.867 2.352 2.847
181 HD2 TYR 23 HD2 TYR 23 3.244 2.181 3.927
182 HE1 TYR 23 HE1 TYR 23 -1.498 1.673 5.121
183 HE2 TYR 23 HE2 TYR 23 2.625 1.502 6.203
184 HH TYR 23 HH TYR 23 0.741 1.652 7.714
185 H GLU 24 HN GLU 24 -0.042 4.730 0.114
186 HA GLU 24 HA GLU 24 -1.674 6.051 2.180
187 HB2 GLU 24 HB2 GLU 24 -1.669 6.542 -0.802
188 HB3 GLU 24 HB1 GLU 24 -2.734 7.320 0.354
189 HG2 GLU 24 HG2 GLU 24 -0.835 8.386 1.422
190 HG3 GLU 24 HG1 GLU 24 0.263 7.571 0.309
191 HN1 MVA 25 HM1 MEV 25 -2.737 4.976 3.688
192 HN2 MVA 25 HM2 MEV 25 -4.496 5.076 3.611
193 HN3 MVA 25 HM3 MEV 25 -3.506 6.287 2.799
194 HA MVA 25 HA MEV 25 -4.461 2.969 0.631
195 HB MVA 25 HB MEV 25 -3.325 1.800 2.483
196 HG11 MVA 25 HG11 MEV 25 -3.855 3.156 4.390
197 HG12 MVA 25 HG12 MEV 25 -4.513 1.538 4.640
198 HG13 MVA 25 HG13 MEV 25 -5.581 2.862 4.170
199 HG21 MVA 25 HG21 MEV 25 -6.275 1.258 2.228
200 HG22 MVA 25 HG22 MEV 25 -5.060 0.111 2.795
201 HG23 MVA 25 HG23 MEV 25 -5.013 0.696 1.133
202 H HIS 26 HN HIS 26 -6.412 3.053 -0.036
203 HA HIS 26 HA HIS 26 -8.434 4.432 1.601
204 HB2 HIS 26 HB2 HIS 26 -8.034 4.547 -1.388
205 HB3 HIS 26 HB1 HIS 26 -9.473 5.136 -0.576
206 HD1 HIS 26 HD1 HIS 26 -9.348 7.416 0.541
207 HD2 HIS 26 HD2 HIS 26 -5.690 6.106 -0.945
208 HE1 HIS 26 HE1 HIS 26 -7.813 9.400 0.680
209 HE2 HIS 26 HE2 HIS 26 -5.651 8.626 -0.350
210 H CYS 27 HN CYS 27 -9.993 3.105 2.187
211 HA CYS 27 HA CYS 27 -10.461 0.666 0.655
212 HB2 CYS 27 HB2 CYS 27 -11.445 1.532 3.377
213 HB3 CYS 27 HB1 CYS 27 -11.834 -0.004 2.615
214 HN1 NH2 28 HN1 NH2 28 -11.466 1.808 -1.085
215 HN2 NH2 28 HN2 NH2 28 -13.119 2.288 -0.964
Start of MODEL 5
1 H1 ASN 1 HT1 ASN 1 11.001 -9.680 -3.717
2 H2 ASN 1 HT2 ASN 1 11.168 -10.704 -2.385
3 H3 ASN 1 HT3 ASN 1 11.663 -9.092 -2.280
4 HA ASN 1 HA ASN 1 8.881 -9.994 -2.695
5 HB2 ASN 1 HB2 ASN 1 9.796 -10.503 -0.420
6 HB3 ASN 1 HB1 ASN 1 10.165 -8.794 -0.223
7 HD21 ASN 1 HD21 ASN 1 8.827 -8.681 1.580
8 HD22 ASN 1 HD22 ASN 1 7.100 -8.678 1.446
9 H ASP 2 HN ASP 2 7.348 -8.213 -2.411
10 HA ASP 2 HA ASP 2 8.499 -5.603 -3.142
11 HB2 ASP 2 HB2 ASP 2 5.987 -6.919 -4.190
12 HB3 ASP 2 HB1 ASP 2 6.352 -5.217 -4.421
13 H AIB 3 HN AIB 3 8.108 -4.123 -1.647
14 HB11 AIB 3 HB11 AIB 3 6.767 -1.997 0.903
15 HB12 AIB 3 HB12 AIB 3 7.275 -1.870 -0.780
16 HB13 AIB 3 HB13 AIB 3 8.299 -2.703 0.389
17 HB21 AIB 3 HB21 AIB 3 6.122 -5.595 0.860
18 HB22 AIB 3 HB22 AIB 3 6.095 -4.130 1.841
19 HB23 AIB 3 HB23 AIB 3 7.635 -4.822 1.334
20 H CYS 4 HN CYS 4 5.755 -2.855 -2.413
21 HA CYS 4 HA CYS 4 3.191 -1.964 -1.728
22 HB2 CYS 4 HB2 CYS 4 3.973 -2.860 -4.495
23 HB3 CYS 4 HB1 CYS 4 2.860 -1.577 -4.043
24 H LYS 5 HN LYS 5 4.325 -5.020 -3.024
25 HA LYS 5 HA LYS 5 1.803 -6.156 -3.592
26 HB2 LYS 5 HB2 LYS 5 3.878 -7.036 -4.542
27 HB3 LYS 5 HB1 LYS 5 4.443 -7.482 -2.941
28 HG2 LYS 5 HG2 LYS 5 2.494 -9.042 -2.775
29 HG3 LYS 5 HG1 LYS 5 2.150 -8.689 -4.470
30 HD2 LYS 5 HD2 LYS 5 4.768 -9.783 -3.443
31 HD3 LYS 5 HD1 LYS 5 3.476 -10.764 -4.135
32 HE2 LYS 5 HE2 LYS 5 4.835 -8.500 -5.592
33 HE3 LYS 5 HE1 LYS 5 5.333 -10.185 -5.716
34 HZ1 LYS 5 HZ1 LYS 5 2.627 -9.178 -6.399
35 HZ2 LYS 5 HZ2 LYS 5 3.203 -10.752 -6.621
36 HZ3 LYS 5 HZ3 LYS 5 3.854 -9.480 -7.524
37 H AIB 6 HN AIB 6 3.967 -6.405 -0.799
38 HB11 AIB 6 HB11 AIB 6 4.195 -5.883 1.684
39 HB12 AIB 6 HB12 AIB 6 4.790 -7.492 1.265
40 HB13 AIB 6 HB13 AIB 6 3.728 -7.279 2.658
41 HB21 AIB 6 HB21 AIB 6 2.164 -8.922 1.813
42 HB22 AIB 6 HB22 AIB 6 3.275 -9.198 0.472
43 HB23 AIB 6 HB23 AIB 6 1.581 -8.832 0.151
44 H LEU 7 HN LEU 7 2.445 -4.640 0.633
45 HA LEU 7 HA LEU 7 0.475 -4.246 2.608
46 HB2 LEU 7 HB2 LEU 7 1.198 -2.510 0.249
47 HB3 LEU 7 HB1 LEU 7 0.212 -2.000 1.601
48 HG LEU 7 HG LEU 7 3.114 -2.820 1.788
49 HD11 LEU 7 HD11 LEU 7 1.833 -0.095 1.902
50 HD12 LEU 7 HD12 LEU 7 2.824 -0.718 0.584
51 HD13 LEU 7 HD13 LEU 7 3.539 -0.448 2.174
52 HD21 LEU 7 HD21 LEU 7 1.235 -1.644 3.834
53 HD22 LEU 7 HD22 LEU 7 2.965 -1.898 4.061
54 HD23 LEU 7 HD23 LEU 7 1.893 -3.281 3.842
55 H LYS 8 HN LYS 8 0.260 -4.530 -0.909
56 HA LYS 8 HA LYS 8 -2.476 -4.058 -1.177
57 HB2 LYS 8 HB2 LYS 8 -0.855 -4.187 -3.054
58 HB3 LYS 8 HB1 LYS 8 -0.763 -5.927 -2.824
59 HG2 LYS 8 HG2 LYS 8 -3.129 -6.133 -3.369
60 HG3 LYS 8 HG1 LYS 8 -3.232 -4.385 -3.589
61 HD2 LYS 8 HD2 LYS 8 -1.528 -4.555 -5.379
62 HD3 LYS 8 HD1 LYS 8 -1.556 -6.310 -5.196
63 HE2 LYS 8 HE2 LYS 8 -2.955 -5.569 -7.066
64 HE3 LYS 8 HE1 LYS 8 -3.907 -6.360 -5.811
65 HZ1 LYS 8 HZ1 LYS 8 -4.647 -4.241 -5.024
66 HZ2 LYS 8 HZ2 LYS 8 -4.930 -4.307 -6.688
67 HZ3 LYS 8 HZ3 LYS 8 -3.624 -3.418 -6.087
68 H AIB 9 HN AIB 9 -0.717 -7.098 -0.728
69 HB11 AIB 9 HB11 AIB 9 -0.319 -9.072 0.832
70 HB12 AIB 9 HB12 AIB 9 -0.523 -9.555 -0.852
71 HB13 AIB 9 HB13 AIB 9 -1.394 -10.408 0.424
72 HB21 AIB 9 HB21 AIB 9 -3.533 -10.014 -0.631
73 HB22 AIB 9 HB22 AIB 9 -2.654 -9.263 -1.963
74 HB23 AIB 9 HB23 AIB 9 -3.974 -8.397 -1.178
75 H ARG 10 HN ARG 10 -1.506 -6.844 1.793
76 HA ARG 10 HA ARG 10 -2.981 -7.990 3.944
77 HB2 ARG 10 HB2 ARG 10 -0.926 -6.697 4.328
78 HB3 ARG 10 HB1 ARG 10 -1.723 -5.247 3.722
79 HG2 ARG 10 HG2 ARG 10 -3.455 -5.725 5.583
80 HG3 ARG 10 HG1 ARG 10 -2.184 -6.729 6.277
81 HD2 ARG 10 HD2 ARG 10 -1.872 -3.821 5.548
82 HD3 ARG 10 HD1 ARG 10 -2.253 -4.409 7.162
83 HE ARG 10 HE ARG 10 0.201 -5.384 5.903
84 HH11 ARG 10 HH11 ARG 10 0.095 -2.989 9.128
85 HH12 ARG 10 HH12 ARG 10 -1.363 -3.312 8.244
86 HH21 ARG 10 HH21 ARG 10 2.136 -4.951 7.060
87 HH22 ARG 10 HH22 ARG 10 2.079 -3.926 8.458
88 H TYR 11 HN TYR 11 -3.468 -5.099 1.934
89 HA TYR 11 HA TYR 11 -5.801 -4.374 3.485
90 HB2 TYR 11 HB2 TYR 11 -4.362 -3.026 1.207
91 HB3 TYR 11 HB1 TYR 11 -5.832 -2.387 1.931
92 HD1 TYR 11 HD1 TYR 11 -5.808 -1.880 4.438
93 HD2 TYR 11 HD2 TYR 11 -2.281 -2.600 2.176
94 HE1 TYR 11 HE1 TYR 11 -4.474 -0.771 6.173
95 HE2 TYR 11 HE2 TYR 11 -0.936 -1.495 3.909
96 HH TYR 11 HH TYR 11 -1.179 0.086 5.698
97 H AIB 12 HN AIB 12 -5.229 -6.249 0.765
98 HB11 AIB 12 HB11 AIB 12 -7.639 -8.116 1.479
99 HB12 AIB 12 HB12 AIB 12 -8.904 -7.864 0.277
100 HB13 AIB 12 HB13 AIB 12 -8.613 -6.649 1.523
101 HB21 AIB 12 HB21 AIB 12 -5.928 -8.433 -0.138
102 HB22 AIB 12 HB22 AIB 12 -5.724 -7.312 -1.485
103 HB23 AIB 12 HB23 AIB 12 -7.164 -8.322 -1.391
104 H GLY 13 HN GLY 13 -9.475 -5.674 0.159
105 HA2 GLY 13 HA2 GLY 13 -9.716 -4.957 -2.624
106 HA3 GLY 13 HA1 GLY 13 -10.951 -4.789 -1.389
107 H CYS 14 HN CYS 14 -8.464 -3.373 0.067
108 HA CYS 14 HA CYS 14 -9.340 -0.730 -0.778
109 HB2 CYS 14 HB2 CYS 14 -7.364 -1.482 1.376
110 HB3 CYS 14 HB1 CYS 14 -8.080 0.102 1.127
111 H GLU 15 HN GLU 15 -8.052 0.790 -1.734
112 HA GLU 15 HA GLU 15 -5.884 -0.263 -3.318
113 HB2 GLU 15 HB2 GLU 15 -7.055 2.519 -3.141
114 HB3 GLU 15 HB1 GLU 15 -5.852 2.009 -4.317
115 HG2 GLU 15 HG2 GLU 15 -7.438 0.410 -5.248
116 HG3 GLU 15 HG1 GLU 15 -8.643 0.918 -4.064
117 HN1 MVA 16 HM1 MEV 16 -3.932 -1.030 -3.339
118 HN2 MVA 16 HM2 MEV 16 -2.548 -0.024 -3.765
119 HN3 MVA 16 HM3 MEV 16 -4.162 0.411 -4.328
120 HA MVA 16 HA MEV 16 -2.949 2.131 -0.947
121 HB MVA 16 HB MEV 16 -3.015 0.006 0.218
122 HG11 MVA 16 HG11 MEV 16 -2.628 -1.553 -1.592
123 HG12 MVA 16 HG12 MEV 16 -1.454 -1.802 -0.299
124 HG13 MVA 16 HG13 MEV 16 -0.975 -0.960 -1.774
125 HG21 MVA 16 HG21 MEV 16 -1.367 1.669 0.869
126 HG22 MVA 16 HG22 MEV 16 -0.203 0.975 -0.260
127 HG23 MVA 16 HG23 MEV 16 -0.752 0.037 1.129
128 H ARG 17 HN ARG 17 -1.862 3.575 -1.940
129 HA ARG 17 HA ARG 17 0.016 2.945 -4.051
130 HB2 ARG 17 HB2 ARG 17 -1.250 4.946 -4.367
131 HB3 ARG 17 HB1 ARG 17 -0.870 5.518 -2.750
132 HG2 ARG 17 HG2 ARG 17 1.514 5.679 -3.443
133 HG3 ARG 17 HG1 ARG 17 1.007 5.290 -5.086
134 HD2 ARG 17 HD2 ARG 17 -0.030 7.627 -3.486
135 HD3 ARG 17 HD1 ARG 17 1.280 7.733 -4.657
136 HE ARG 17 HE ARG 17 -0.537 6.786 -6.246
137 HH11 ARG 17 HH11 ARG 17 -2.412 9.833 -4.422
138 HH12 ARG 17 HH12 ARG 17 -1.118 9.016 -3.601
139 HH21 ARG 17 HH21 ARG 17 -2.253 7.865 -7.314
140 HH22 ARG 17 HH22 ARG 17 -3.060 9.180 -6.519
141 H CYS 18 HN CYS 18 1.931 2.157 -3.460
142 HA CYS 18 HA CYS 18 3.113 2.831 -0.923
143 HB2 CYS 18 HB2 CYS 18 5.046 1.462 -1.816
144 HB3 CYS 18 HB1 CYS 18 3.508 0.612 -1.708
145 H ASP 19 HN ASP 19 4.355 4.522 -0.532
146 HA ASP 19 HA ASP 19 5.615 5.911 -2.800
147 HB2 ASP 19 HB2 ASP 19 3.586 7.116 -2.001
148 HB3 ASP 19 HB1 ASP 19 4.316 7.226 -0.403
149 HA DPR 20 HA DPR 20 9.436 6.008 -0.535
150 HB2 DPR 20 HB2 DPR 20 10.797 4.477 -1.527
151 HB3 DPR 20 HB1 DPR 20 9.686 3.141 -1.215
152 HG2 DPR 20 HG2 DPR 20 9.642 5.160 -3.422
153 HG3 DPR 20 HG1 DPR 20 9.336 3.413 -3.492
154 HD2 DPR 20 HD2 DPR 20 7.335 5.211 -3.490
155 HD3 DPR 20 HD1 DPR 20 7.176 3.634 -2.691
156 HA PRO 21 HA PRO 21 9.163 3.597 3.237
157 HB2 PRO 21 HB2 PRO 21 9.416 5.625 4.957
158 HB3 PRO 21 HB1 PRO 21 10.779 5.084 3.971
159 HG2 PRO 21 HG2 PRO 21 8.945 7.409 3.541
160 HG3 PRO 21 HG1 PRO 21 10.710 7.344 3.400
161 HD2 PRO 21 HD2 PRO 21 9.023 7.175 1.258
162 HD3 PRO 21 HD1 PRO 21 10.632 6.432 1.297
163 H ARG 22 HN ARG 22 6.900 5.743 1.961
164 HA ARG 22 HA ARG 22 5.053 5.305 4.225
165 HB2 ARG 22 HB2 ARG 22 4.988 7.553 2.200
166 HB3 ARG 22 HB1 ARG 22 3.922 7.366 3.584
167 HG2 ARG 22 HG2 ARG 22 6.889 7.851 3.708
168 HG3 ARG 22 HG1 ARG 22 5.634 9.060 3.972
169 HD2 ARG 22 HD2 ARG 22 6.022 6.564 5.626
170 HD3 ARG 22 HD1 ARG 22 6.578 8.174 6.076
171 HE ARG 22 HE ARG 22 3.747 7.981 5.524
172 HH11 ARG 22 HH11 ARG 22 6.252 7.762 7.956
173 HH12 ARG 22 HH12 ARG 22 5.173 8.075 9.279
174 HH21 ARG 22 HH21 ARG 22 2.934 8.455 8.878
175 HH22 ARG 22 HH22 ARG 22 2.324 8.411 7.256
176 H TYR 23 HN TYR 23 2.689 5.460 3.414
177 HA TYR 23 HA TYR 23 2.244 4.743 0.674
178 HB2 TYR 23 HB2 TYR 23 1.147 2.608 1.109
179 HB3 TYR 23 HB1 TYR 23 2.834 2.552 1.591
180 HD1 TYR 23 HD1 TYR 23 -0.628 2.463 2.745
181 HD2 TYR 23 HD2 TYR 23 3.451 2.399 3.942
182 HE1 TYR 23 HE1 TYR 23 -1.302 1.693 4.979
183 HE2 TYR 23 HE2 TYR 23 2.791 1.629 6.176
184 HH TYR 23 HH TYR 23 0.878 1.643 7.630
185 H GLU 24 HN GLU 24 0.051 4.793 0.088
186 HA GLU 24 HA GLU 24 -1.682 6.080 2.087
187 HB2 GLU 24 HB2 GLU 24 -1.716 6.500 -0.905
188 HB3 GLU 24 HB1 GLU 24 -2.712 7.334 0.277
189 HG2 GLU 24 HG2 GLU 24 -0.641 8.278 1.270
190 HG3 GLU 24 HG1 GLU 24 0.269 7.549 -0.052
191 HN1 MVA 25 HM1 MEV 25 -4.571 5.163 3.414
192 HN2 MVA 25 HM2 MEV 25 -3.633 6.371 2.536
193 HN3 MVA 25 HM3 MEV 25 -2.815 5.179 3.550
194 HA MVA 25 HA MEV 25 -4.446 2.974 0.526
195 HB MVA 25 HB MEV 25 -3.247 1.740 2.235
196 HG11 MVA 25 HG11 MEV 25 -5.235 2.887 4.183
197 HG12 MVA 25 HG12 MEV 25 -3.488 3.140 4.172
198 HG13 MVA 25 HG13 MEV 25 -4.146 1.542 4.523
199 HG21 MVA 25 HG21 MEV 25 -5.105 0.666 1.130
200 HG22 MVA 25 HG22 MEV 25 -6.229 1.329 2.315
201 HG23 MVA 25 HG23 MEV 25 -5.024 0.140 2.811
202 H HIS 26 HN HIS 26 -6.406 3.112 -0.106
203 HA HIS 26 HA HIS 26 -8.381 4.430 1.634
204 HB2 HIS 26 HB2 HIS 26 -8.062 4.798 -1.350
205 HB3 HIS 26 HB1 HIS 26 -9.351 5.486 -0.373
206 HD1 HIS 26 HD1 HIS 26 -8.853 7.631 0.885
207 HD2 HIS 26 HD2 HIS 26 -5.491 5.966 -0.904
208 HE1 HIS 26 HE1 HIS 26 -7.041 9.359 1.110
209 HE2 HIS 26 HE2 HIS 26 -5.057 8.386 -0.101
210 H CYS 27 HN CYS 27 -10.219 3.341 1.893
211 HA CYS 27 HA CYS 27 -10.603 0.909 0.310
212 HB2 CYS 27 HB2 CYS 27 -11.866 1.774 2.916
213 HB3 CYS 27 HB1 CYS 27 -12.129 0.229 2.117
214 HN1 NH2 28 HN1 NH2 28 -11.306 2.462 -1.426
215 HN2 NH2 28 HN2 NH2 28 -12.985 2.862 -1.478
Start of MODEL 6
1 H1 ASN 1 HT1 ASN 1 9.183 -10.883 -4.576
2 H2 ASN 1 HT2 ASN 1 7.650 -10.506 -5.180
3 H3 ASN 1 HT3 ASN 1 7.902 -11.969 -4.371
4 HA ASN 1 HA ASN 1 6.748 -10.386 -2.975
5 HB2 ASN 1 HB2 ASN 1 9.597 -11.006 -2.140
6 HB3 ASN 1 HB1 ASN 1 8.339 -10.458 -1.037
7 HD21 ASN 1 HD21 ASN 1 6.774 -11.870 -0.374
8 HD22 ASN 1 HD22 ASN 1 6.821 -13.565 -0.720
9 H ASP 2 HN ASP 2 6.556 -8.323 -2.150
10 HA ASP 2 HA ASP 2 8.666 -6.393 -2.395
11 HB2 ASP 2 HB2 ASP 2 7.847 -6.464 -4.729
12 HB3 ASP 2 HB1 ASP 2 6.224 -6.096 -4.160
13 H AIB 3 HN AIB 3 8.205 -4.473 -1.285
14 HB11 AIB 3 HB11 AIB 3 8.433 -3.002 0.686
15 HB12 AIB 3 HB12 AIB 3 6.943 -2.176 1.139
16 HB13 AIB 3 HB13 AIB 3 7.495 -2.142 -0.534
17 HB21 AIB 3 HB21 AIB 3 6.066 -5.733 1.187
18 HB22 AIB 3 HB22 AIB 3 6.069 -4.236 2.119
19 HB23 AIB 3 HB23 AIB 3 7.594 -5.018 1.701
20 H CYS 4 HN CYS 4 5.958 -3.044 -2.165
21 HA CYS 4 HA CYS 4 3.468 -1.920 -1.457
22 HB2 CYS 4 HB2 CYS 4 4.378 -2.689 -4.232
23 HB3 CYS 4 HB1 CYS 4 3.198 -1.462 -3.801
24 H LYS 5 HN LYS 5 4.388 -4.969 -2.960
25 HA LYS 5 HA LYS 5 1.755 -5.782 -3.621
26 HB2 LYS 5 HB2 LYS 5 3.815 -6.717 -4.663
27 HB3 LYS 5 HB1 LYS 5 4.181 -7.522 -3.145
28 HG2 LYS 5 HG2 LYS 5 3.181 -9.078 -4.703
29 HG3 LYS 5 HG1 LYS 5 2.099 -8.809 -3.336
30 HD2 LYS 5 HD2 LYS 5 0.777 -7.255 -4.669
31 HD3 LYS 5 HD1 LYS 5 1.878 -7.470 -6.031
32 HE2 LYS 5 HE2 LYS 5 1.281 -9.833 -6.149
33 HE3 LYS 5 HE1 LYS 5 0.207 -9.637 -4.764
34 HZ1 LYS 5 HZ1 LYS 5 -1.167 -8.157 -6.040
35 HZ2 LYS 5 HZ2 LYS 5 -0.970 -9.598 -6.898
36 HZ3 LYS 5 HZ3 LYS 5 -0.106 -8.221 -7.355
37 H AIB 6 HN AIB 6 3.862 -6.365 -0.860
38 HB11 AIB 6 HB11 AIB 6 4.605 -7.602 1.168
39 HB12 AIB 6 HB12 AIB 6 3.526 -7.395 2.548
40 HB13 AIB 6 HB13 AIB 6 4.084 -5.987 1.647
41 HB21 AIB 6 HB21 AIB 6 3.006 -9.193 0.275
42 HB22 AIB 6 HB22 AIB 6 1.347 -8.713 -0.072
43 HB23 AIB 6 HB23 AIB 6 1.877 -8.909 1.598
44 H LEU 7 HN LEU 7 2.371 -4.608 0.532
45 HA LEU 7 HA LEU 7 0.394 -4.177 2.489
46 HB2 LEU 7 HB2 LEU 7 1.145 -2.446 0.137
47 HB3 LEU 7 HB1 LEU 7 0.181 -1.926 1.503
48 HG LEU 7 HG LEU 7 3.070 -2.801 1.645
49 HD11 LEU 7 HD11 LEU 7 1.835 -0.058 1.823
50 HD12 LEU 7 HD12 LEU 7 2.796 -0.674 0.479
51 HD13 LEU 7 HD13 LEU 7 3.539 -0.444 2.062
52 HD21 LEU 7 HD21 LEU 7 1.867 -3.274 3.708
53 HD22 LEU 7 HD22 LEU 7 1.241 -1.626 3.736
54 HD23 LEU 7 HD23 LEU 7 2.968 -1.915 3.934
55 H LYS 8 HN LYS 8 0.194 -4.476 -1.031
56 HA LYS 8 HA LYS 8 -2.527 -3.925 -1.334
57 HB2 LYS 8 HB2 LYS 8 -0.780 -5.820 -2.917
58 HB3 LYS 8 HB1 LYS 8 -2.389 -5.311 -3.407
59 HG2 LYS 8 HG2 LYS 8 -1.646 -3.018 -3.599
60 HG3 LYS 8 HG1 LYS 8 -0.046 -3.460 -3.001
61 HD2 LYS 8 HD2 LYS 8 0.179 -4.997 -4.956
62 HD3 LYS 8 HD1 LYS 8 -1.343 -4.350 -5.570
63 HE2 LYS 8 HE2 LYS 8 1.126 -2.717 -4.994
64 HE3 LYS 8 HE1 LYS 8 0.644 -3.290 -6.590
65 HZ1 LYS 8 HZ1 LYS 8 -1.347 -1.977 -6.455
66 HZ2 LYS 8 HZ2 LYS 8 -0.013 -0.980 -6.164
67 HZ3 LYS 8 HZ3 LYS 8 -0.982 -1.489 -4.879
68 H AIB 9 HN AIB 9 -0.901 -7.039 -0.887
69 HB11 AIB 9 HB11 AIB 9 -0.543 -9.053 0.613
70 HB12 AIB 9 HB12 AIB 9 -0.875 -9.505 -1.059
71 HB13 AIB 9 HB13 AIB 9 -1.719 -10.317 0.260
72 HB21 AIB 9 HB21 AIB 9 -3.049 -9.082 -2.033
73 HB22 AIB 9 HB22 AIB 9 -4.264 -8.141 -1.169
74 HB23 AIB 9 HB23 AIB 9 -3.888 -9.784 -0.652
75 H ARG 10 HN ARG 10 -1.481 -6.827 1.656
76 HA ARG 10 HA ARG 10 -2.700 -7.962 3.931
77 HB2 ARG 10 HB2 ARG 10 -0.579 -6.720 3.982
78 HB3 ARG 10 HB1 ARG 10 -1.436 -5.240 3.575
79 HG2 ARG 10 HG2 ARG 10 -2.676 -5.384 5.673
80 HG3 ARG 10 HG1 ARG 10 -1.795 -6.857 6.089
81 HD2 ARG 10 HD2 ARG 10 -0.596 -4.123 5.639
82 HD3 ARG 10 HD1 ARG 10 -0.819 -4.916 7.197
83 HE ARG 10 HE ARG 10 0.705 -6.646 5.667
84 HH11 ARG 10 HH11 ARG 10 2.745 -3.457 7.006
85 HH12 ARG 10 HH12 ARG 10 1.011 -3.415 6.979
86 HH21 ARG 10 HH21 ARG 10 2.973 -6.716 5.732
87 HH22 ARG 10 HH22 ARG 10 3.862 -5.341 6.309
88 H TYR 11 HN TYR 11 -3.518 -5.147 1.953
89 HA TYR 11 HA TYR 11 -5.668 -4.468 3.787
90 HB2 TYR 11 HB2 TYR 11 -4.518 -3.062 1.387
91 HB3 TYR 11 HB1 TYR 11 -5.959 -2.497 2.231
92 HD1 TYR 11 HD1 TYR 11 -5.782 -1.875 4.670
93 HD2 TYR 11 HD2 TYR 11 -2.375 -2.647 2.248
94 HE1 TYR 11 HE1 TYR 11 -4.366 -0.689 6.289
95 HE2 TYR 11 HE2 TYR 11 -0.950 -1.469 3.861
96 HH TYR 11 HH TYR 11 -1.255 0.333 5.594
97 H AIB 12 HN AIB 12 -5.384 -6.595 1.402
98 HB11 AIB 12 HB11 AIB 12 -6.945 -8.690 2.166
99 HB12 AIB 12 HB12 AIB 12 -8.501 -8.821 1.345
100 HB13 AIB 12 HB13 AIB 12 -8.276 -7.629 2.627
101 HB21 AIB 12 HB21 AIB 12 -7.508 -8.527 -0.817
102 HB22 AIB 12 HB22 AIB 12 -5.943 -8.522 -0.007
103 HB23 AIB 12 HB23 AIB 12 -6.365 -7.220 -1.116
104 H GLY 13 HN GLY 13 -7.511 -5.467 -1.190
105 HA2 GLY 13 HA2 GLY 13 -9.683 -5.235 -2.376
106 HA3 GLY 13 HA1 GLY 13 -10.415 -5.114 -0.788
107 H CYS 14 HN CYS 14 -8.241 -3.417 0.249
108 HA CYS 14 HA CYS 14 -9.295 -0.902 -0.689
109 HB2 CYS 14 HB2 CYS 14 -6.970 -1.313 1.182
110 HB3 CYS 14 HB1 CYS 14 -7.985 0.110 1.040
111 H GLU 15 HN GLU 15 -8.013 0.803 -1.580
112 HA GLU 15 HA GLU 15 -5.963 -0.198 -3.384
113 HB2 GLU 15 HB2 GLU 15 -7.312 2.499 -3.166
114 HB3 GLU 15 HB1 GLU 15 -6.070 2.115 -4.347
115 HG2 GLU 15 HG2 GLU 15 -7.551 0.298 -5.201
116 HG3 GLU 15 HG1 GLU 15 -8.809 0.901 -4.124
117 HN1 MVA 16 HM1 MEV 16 -2.662 -0.263 -3.694
118 HN2 MVA 16 HM2 MEV 16 -4.216 0.253 -4.351
119 HN3 MVA 16 HM3 MEV 16 -4.138 -1.109 -3.231
120 HA MVA 16 HA MEV 16 -3.006 2.153 -1.048
121 HB MVA 16 HB MEV 16 -3.056 0.053 0.172
122 HG11 MVA 16 HG11 MEV 16 -1.023 -0.948 -1.806
123 HG12 MVA 16 HG12 MEV 16 -2.670 -1.547 -1.601
124 HG13 MVA 16 HG13 MEV 16 -1.489 -1.754 -0.307
125 HG21 MVA 16 HG21 MEV 16 -1.403 1.760 0.737
126 HG22 MVA 16 HG22 MEV 16 -0.243 0.993 -0.351
127 HG23 MVA 16 HG23 MEV 16 -0.812 0.134 1.081
128 H ARG 17 HN ARG 17 -1.856 3.556 -1.978
129 HA ARG 17 HA ARG 17 -0.020 2.872 -4.138
130 HB2 ARG 17 HB2 ARG 17 -1.424 4.817 -4.480
131 HB3 ARG 17 HB1 ARG 17 -0.900 5.510 -2.954
132 HG2 ARG 17 HG2 ARG 17 1.430 5.544 -3.914
133 HG3 ARG 17 HG1 ARG 17 0.692 5.155 -5.468
134 HD2 ARG 17 HD2 ARG 17 -0.654 7.182 -5.361
135 HD3 ARG 17 HD1 ARG 17 0.006 7.556 -3.770
136 HE ARG 17 HE ARG 17 1.740 7.392 -6.150
137 HH11 ARG 17 HH11 ARG 17 1.667 10.452 -3.535
138 HH12 ARG 17 HH12 ARG 17 0.538 9.142 -3.343
139 HH21 ARG 17 HH21 ARG 17 3.224 9.113 -6.374
140 HH22 ARG 17 HH22 ARG 17 3.195 10.427 -5.244
141 H CYS 18 HN CYS 18 2.037 2.391 -3.636
142 HA CYS 18 HA CYS 18 3.023 3.147 -1.008
143 HB2 CYS 18 HB2 CYS 18 4.933 1.662 -1.539
144 HB3 CYS 18 HB1 CYS 18 3.377 0.845 -1.658
145 H ASP 19 HN ASP 19 4.481 4.662 -0.634
146 HA ASP 19 HA ASP 19 5.845 5.909 -2.922
147 HB2 ASP 19 HB2 ASP 19 3.984 7.321 -2.006
148 HB3 ASP 19 HB1 ASP 19 4.828 7.345 -0.462
149 HA DPR 20 HA DPR 20 9.675 5.476 -0.657
150 HB2 DPR 20 HB2 DPR 20 10.866 3.894 -1.784
151 HB3 DPR 20 HB1 DPR 20 9.609 2.669 -1.589
152 HG2 DPR 20 HG2 DPR 20 9.818 4.859 -3.615
153 HG3 DPR 20 HG1 DPR 20 9.317 3.171 -3.834
154 HD2 DPR 20 HD2 DPR 20 7.533 5.176 -3.686
155 HD3 DPR 20 HD1 DPR 20 7.187 3.568 -3.020
156 HA PRO 21 HA PRO 21 8.941 2.762 2.856
157 HB2 PRO 21 HB2 PRO 21 9.621 4.477 4.768
158 HB3 PRO 21 HB1 PRO 21 10.843 3.829 3.667
159 HG2 PRO 21 HG2 PRO 21 9.456 6.480 3.596
160 HG3 PRO 21 HG1 PRO 21 11.175 6.117 3.368
161 HD2 PRO 21 HD2 PRO 21 9.396 6.506 1.307
162 HD3 PRO 21 HD1 PRO 21 10.882 5.549 1.168
163 H ARG 22 HN ARG 22 7.040 5.199 1.707
164 HA ARG 22 HA ARG 22 5.186 5.016 3.995
165 HB2 ARG 22 HB2 ARG 22 5.337 7.198 1.906
166 HB3 ARG 22 HB1 ARG 22 4.226 7.147 3.267
167 HG2 ARG 22 HG2 ARG 22 6.217 7.208 4.781
168 HG3 ARG 22 HG1 ARG 22 7.211 7.491 3.350
169 HD2 ARG 22 HD2 ARG 22 6.735 9.616 4.335
170 HD3 ARG 22 HD1 ARG 22 5.795 9.485 2.851
171 HE ARG 22 HE ARG 22 4.508 8.810 5.399
172 HH11 ARG 22 HH11 ARG 22 4.797 10.954 2.650
173 HH12 ARG 22 HH12 ARG 22 3.334 11.812 3.003
174 HH21 ARG 22 HH21 ARG 22 2.076 11.238 4.837
175 HH22 ARG 22 HH22 ARG 22 2.580 9.934 5.863
176 H TYR 23 HN TYR 23 2.835 5.339 3.240
177 HA TYR 23 HA TYR 23 2.241 4.607 0.532
178 HB2 TYR 23 HB2 TYR 23 1.053 2.538 1.033
179 HB3 TYR 23 HB1 TYR 23 2.750 2.403 1.464
180 HD1 TYR 23 HD1 TYR 23 -0.672 2.446 2.705
181 HD2 TYR 23 HD2 TYR 23 3.432 2.328 3.821
182 HE1 TYR 23 HE1 TYR 23 -1.313 1.738 4.969
183 HE2 TYR 23 HE2 TYR 23 2.801 1.623 6.085
184 HH TYR 23 HH TYR 23 0.897 1.731 7.578
185 H GLU 24 HN GLU 24 0.031 4.718 0.030
186 HA GLU 24 HA GLU 24 -1.660 6.022 2.057
187 HB2 GLU 24 HB2 GLU 24 -1.695 6.362 -0.947
188 HB3 GLU 24 HB1 GLU 24 -2.802 7.134 0.172
189 HG2 GLU 24 HG2 GLU 24 -0.947 8.351 1.178
190 HG3 GLU 24 HG1 GLU 24 0.170 7.570 0.057
191 HN1 MVA 25 HM1 MEV 25 -2.937 5.248 3.505
192 HN2 MVA 25 HM2 MEV 25 -4.686 5.194 3.283
193 HN3 MVA 25 HM3 MEV 25 -3.717 6.360 2.383
194 HA MVA 25 HA MEV 25 -4.464 2.914 0.511
195 HB MVA 25 HB MEV 25 -3.178 1.695 2.151
196 HG11 MVA 25 HG11 MEV 25 -3.955 1.475 4.481
197 HG12 MVA 25 HG12 MEV 25 -5.088 2.798 4.198
198 HG13 MVA 25 HG13 MEV 25 -3.350 3.088 4.099
199 HG21 MVA 25 HG21 MEV 25 -5.059 0.587 1.130
200 HG22 MVA 25 HG22 MEV 25 -6.145 1.228 2.366
201 HG23 MVA 25 HG23 MEV 25 -4.896 0.060 2.807
202 H HIS 26 HN HIS 26 -6.388 3.182 -0.122
203 HA HIS 26 HA HIS 26 -8.368 4.394 1.692
204 HB2 HIS 26 HB2 HIS 26 -8.208 4.573 -1.325
205 HB3 HIS 26 HB1 HIS 26 -9.468 5.283 -0.331
206 HD1 HIS 26 HD1 HIS 26 -9.128 7.678 0.175
207 HD2 HIS 26 HD2 HIS 26 -5.530 5.741 -0.591
208 HE1 HIS 26 HE1 HIS 26 -7.370 9.474 0.229
209 HE2 HIS 26 HE2 HIS 26 -5.198 8.288 -0.235
210 H CYS 27 HN CYS 27 -9.932 3.034 2.267
211 HA CYS 27 HA CYS 27 -10.414 0.650 0.655
212 HB2 CYS 27 HB2 CYS 27 -11.444 1.363 3.408
213 HB3 CYS 27 HB1 CYS 27 -11.673 -0.176 2.591
214 HN1 NH2 28 HN1 NH2 28 -12.510 2.853 2.492
215 HN2 NH2 28 HN2 NH2 28 -13.753 2.942 1.293
Start of MODEL 7
1 H1 ASN 1 HT1 ASN 1 10.018 -10.359 -4.197
2 H2 ASN 1 HT2 ASN 1 9.337 -9.491 -5.473
3 H3 ASN 1 HT3 ASN 1 8.792 -11.054 -5.132
4 HA ASN 1 HA ASN 1 7.220 -9.421 -4.352
5 HB2 ASN 1 HB2 ASN 1 7.570 -11.566 -3.099
6 HB3 ASN 1 HB1 ASN 1 8.706 -10.722 -2.051
7 HD21 ASN 1 HD21 ASN 1 7.471 -11.115 -0.225
8 HD22 ASN 1 HD22 ASN 1 5.979 -10.290 0.077
9 H ASP 2 HN ASP 2 6.755 -7.622 -3.007
10 HA ASP 2 HA ASP 2 9.075 -6.130 -2.013
11 HB2 ASP 2 HB2 ASP 2 8.526 -5.354 -4.333
12 HB3 ASP 2 HB1 ASP 2 6.924 -4.910 -3.758
13 H AIB 3 HN AIB 3 8.532 -4.496 -0.470
14 HB11 AIB 3 HB11 AIB 3 6.960 -2.770 2.242
15 HB12 AIB 3 HB12 AIB 3 7.697 -2.359 0.694
16 HB13 AIB 3 HB13 AIB 3 8.504 -3.485 1.784
17 HB21 AIB 3 HB21 AIB 3 7.593 -5.645 2.226
18 HB22 AIB 3 HB22 AIB 3 6.180 -6.246 1.363
19 HB23 AIB 3 HB23 AIB 3 5.995 -5.004 2.601
20 H CYS 4 HN CYS 4 6.373 -3.002 -1.354
21 HA CYS 4 HA CYS 4 3.819 -1.964 -0.839
22 HB2 CYS 4 HB2 CYS 4 5.230 -0.966 -2.514
23 HB3 CYS 4 HB1 CYS 4 5.262 -2.459 -3.440
24 H LYS 5 HN LYS 5 4.841 -4.880 -2.570
25 HA LYS 5 HA LYS 5 2.265 -5.559 -3.516
26 HB2 LYS 5 HB2 LYS 5 4.400 -6.474 -4.445
27 HB3 LYS 5 HB1 LYS 5 4.583 -7.433 -2.981
28 HG2 LYS 5 HG2 LYS 5 2.471 -8.588 -3.498
29 HG3 LYS 5 HG1 LYS 5 2.344 -7.652 -4.987
30 HD2 LYS 5 HD2 LYS 5 4.504 -8.603 -5.722
31 HD3 LYS 5 HD1 LYS 5 4.526 -9.605 -4.270
32 HE2 LYS 5 HE2 LYS 5 2.436 -9.661 -6.445
33 HE3 LYS 5 HE1 LYS 5 3.707 -10.856 -6.200
34 HZ1 LYS 5 HZ1 LYS 5 2.732 -11.370 -4.037
35 HZ2 LYS 5 HZ2 LYS 5 1.624 -11.624 -5.289
36 HZ3 LYS 5 HZ3 LYS 5 1.495 -10.250 -4.314
37 H AIB 6 HN AIB 6 4.118 -6.489 -0.664
38 HB11 AIB 6 HB11 AIB 6 4.612 -7.934 1.309
39 HB12 AIB 6 HB12 AIB 6 3.428 -7.769 2.604
40 HB13 AIB 6 HB13 AIB 6 4.134 -6.331 1.868
41 HB21 AIB 6 HB21 AIB 6 1.455 -8.781 -0.296
42 HB22 AIB 6 HB22 AIB 6 1.828 -9.134 1.393
43 HB23 AIB 6 HB23 AIB 6 3.063 -9.353 0.152
44 H LEU 7 HN LEU 7 2.553 -4.781 0.733
45 HA LEU 7 HA LEU 7 0.441 -4.461 2.585
46 HB2 LEU 7 HB2 LEU 7 1.468 -2.500 0.538
47 HB3 LEU 7 HB1 LEU 7 0.436 -2.106 1.895
48 HG LEU 7 HG LEU 7 3.265 -3.141 2.095
49 HD11 LEU 7 HD11 LEU 7 3.181 -0.866 1.256
50 HD12 LEU 7 HD12 LEU 7 3.771 -0.889 2.917
51 HD13 LEU 7 HD13 LEU 7 2.110 -0.403 2.579
52 HD21 LEU 7 HD21 LEU 7 1.927 -3.865 3.986
53 HD22 LEU 7 HD22 LEU 7 1.333 -2.221 4.219
54 HD23 LEU 7 HD23 LEU 7 3.037 -2.589 4.482
55 H LYS 8 HN LYS 8 0.545 -4.397 -0.949
56 HA LYS 8 HA LYS 8 -2.129 -3.652 -1.344
57 HB2 LYS 8 HB2 LYS 8 -0.219 -5.222 -3.062
58 HB3 LYS 8 HB1 LYS 8 -1.855 -4.848 -3.586
59 HG2 LYS 8 HG2 LYS 8 -1.354 -2.445 -3.346
60 HG3 LYS 8 HG1 LYS 8 0.301 -2.856 -2.899
61 HD2 LYS 8 HD2 LYS 8 0.635 -3.922 -5.066
62 HD3 LYS 8 HD1 LYS 8 -1.034 -3.566 -5.511
63 HE2 LYS 8 HE2 LYS 8 1.082 -1.507 -4.881
64 HE3 LYS 8 HE1 LYS 8 0.576 -1.979 -6.501
65 HZ1 LYS 8 HZ1 LYS 8 -0.543 0.025 -5.889
66 HZ2 LYS 8 HZ2 LYS 8 -1.093 -0.641 -4.438
67 HZ3 LYS 8 HZ3 LYS 8 -1.688 -1.220 -5.912
68 H AIB 9 HN AIB 9 -0.633 -6.852 -1.123
69 HB11 AIB 9 HB11 AIB 9 -0.647 -9.315 -1.470
70 HB12 AIB 9 HB12 AIB 9 -1.668 -10.181 -0.323
71 HB13 AIB 9 HB13 AIB 9 -0.511 -8.986 0.258
72 HB21 AIB 9 HB21 AIB 9 -3.698 -9.507 -1.459
73 HB22 AIB 9 HB22 AIB 9 -2.670 -8.745 -2.672
74 HB23 AIB 9 HB23 AIB 9 -3.955 -7.818 -1.898
75 H ARG 10 HN ARG 10 -1.497 -6.861 1.386
76 HA ARG 10 HA ARG 10 -3.208 -8.014 3.330
77 HB2 ARG 10 HB2 ARG 10 -1.045 -6.995 3.902
78 HB3 ARG 10 HB1 ARG 10 -1.654 -5.418 3.416
79 HG2 ARG 10 HG2 ARG 10 -3.340 -5.547 5.198
80 HG3 ARG 10 HG1 ARG 10 -2.661 -7.091 5.707
81 HD2 ARG 10 HD2 ARG 10 -1.158 -4.476 5.622
82 HD3 ARG 10 HD1 ARG 10 -1.874 -5.181 7.068
83 HE ARG 10 HE ARG 10 0.168 -6.680 5.567
84 HH11 ARG 10 HH11 ARG 10 0.463 -5.668 9.447
85 HH12 ARG 10 HH12 ARG 10 -0.896 -5.117 8.523
86 HH21 ARG 10 HH21 ARG 10 2.072 -6.986 8.468
87 HH22 ARG 10 HH22 ARG 10 1.933 -7.424 6.795
88 H TYR 11 HN TYR 11 -3.361 -5.062 1.426
89 HA TYR 11 HA TYR 11 -5.888 -4.332 2.723
90 HB2 TYR 11 HB2 TYR 11 -3.979 -2.745 1.003
91 HB3 TYR 11 HB1 TYR 11 -5.523 -2.132 1.576
92 HD1 TYR 11 HD1 TYR 11 -5.886 -1.971 4.090
93 HD2 TYR 11 HD2 TYR 11 -2.066 -2.616 2.338
94 HE1 TYR 11 HE1 TYR 11 -4.817 -1.235 6.171
95 HE2 TYR 11 HE2 TYR 11 -0.982 -1.882 4.417
96 HH TYR 11 HH TYR 11 -1.420 -0.613 6.375
97 H AIB 12 HN AIB 12 -5.902 -6.481 0.918
98 HB11 AIB 12 HB11 AIB 12 -7.754 -8.087 -1.677
99 HB12 AIB 12 HB12 AIB 12 -7.726 -8.064 0.086
100 HB13 AIB 12 HB13 AIB 12 -6.217 -8.189 -0.819
101 HB21 AIB 12 HB21 AIB 12 -5.409 -6.298 -2.137
102 HB22 AIB 12 HB22 AIB 12 -6.325 -4.792 -2.187
103 HB23 AIB 12 HB23 AIB 12 -6.968 -6.242 -2.959
104 H GLY 13 HN GLY 13 -8.483 -5.567 1.202
105 HA2 GLY 13 HA2 GLY 13 -10.980 -5.216 -0.221
106 HA3 GLY 13 HA1 GLY 13 -10.730 -5.028 1.506
107 H CYS 14 HN CYS 14 -8.363 -3.300 0.085
108 HA CYS 14 HA CYS 14 -9.950 -0.847 -0.190
109 HB2 CYS 14 HB2 CYS 14 -7.364 -1.066 1.364
110 HB3 CYS 14 HB1 CYS 14 -8.353 0.373 1.180
111 H GLU 15 HN GLU 15 -8.120 0.939 -0.875
112 HA GLU 15 HA GLU 15 -6.495 -0.322 -2.982
113 HB2 GLU 15 HB2 GLU 15 -7.752 2.427 -2.902
114 HB3 GLU 15 HB1 GLU 15 -6.628 1.890 -4.142
115 HG2 GLU 15 HG2 GLU 15 -8.202 0.125 -4.786
116 HG3 GLU 15 HG1 GLU 15 -9.332 0.707 -3.566
117 HN1 MVA 16 HM1 MEV 16 -4.664 -1.222 -2.945
118 HN2 MVA 16 HM2 MEV 16 -3.203 -0.433 -3.541
119 HN3 MVA 16 HM3 MEV 16 -4.784 0.072 -4.135
120 HA MVA 16 HA MEV 16 -3.343 2.160 -1.050
121 HB MVA 16 HB MEV 16 -3.378 0.185 0.347
122 HG11 MVA 16 HG11 MEV 16 -3.169 -1.585 -1.275
123 HG12 MVA 16 HG12 MEV 16 -1.886 -1.714 -0.071
124 HG13 MVA 16 HG13 MEV 16 -1.531 -1.063 -1.671
125 HG21 MVA 16 HG21 MEV 16 -1.051 0.220 1.087
126 HG22 MVA 16 HG22 MEV 16 -1.634 1.840 0.700
127 HG23 MVA 16 HG23 MEV 16 -0.582 0.988 -0.431
128 H ARG 17 HN ARG 17 -2.128 3.440 -2.067
129 HA ARG 17 HA ARG 17 -0.459 2.544 -4.286
130 HB2 ARG 17 HB2 ARG 17 -1.063 5.278 -3.154
131 HB3 ARG 17 HB1 ARG 17 0.051 5.001 -4.483
132 HG2 ARG 17 HG2 ARG 17 -1.726 4.140 -5.859
133 HG3 ARG 17 HG1 ARG 17 -2.861 4.253 -4.512
134 HD2 ARG 17 HD2 ARG 17 -3.109 6.127 -6.084
135 HD3 ARG 17 HD1 ARG 17 -2.632 6.664 -4.476
136 HE ARG 17 HE ARG 17 -0.315 6.326 -6.016
137 HH11 ARG 17 HH11 ARG 17 -2.329 9.761 -6.539
138 HH12 ARG 17 HH12 ARG 17 -3.132 8.391 -5.837
139 HH21 ARG 17 HH21 ARG 17 0.753 8.129 -6.925
140 HH22 ARG 17 HH22 ARG 17 -0.119 9.615 -7.147
141 H CYS 18 HN CYS 18 1.822 2.866 -4.278
142 HA CYS 18 HA CYS 18 2.933 3.268 -1.591
143 HB2 CYS 18 HB2 CYS 18 4.560 1.436 -2.097
144 HB3 CYS 18 HB1 CYS 18 2.890 0.902 -1.928
145 H ASP 19 HN ASP 19 4.695 4.466 -1.448
146 HA ASP 19 HA ASP 19 6.242 5.022 -3.882
147 HB2 ASP 19 HB2 ASP 19 4.889 7.009 -3.034
148 HB3 ASP 19 HB1 ASP 19 5.909 6.974 -1.599
149 HA DPR 20 HA DPR 20 9.897 3.864 -1.561
150 HB2 DPR 20 HB2 DPR 20 10.763 2.124 -2.741
151 HB3 DPR 20 HB1 DPR 20 9.300 1.155 -2.562
152 HG2 DPR 20 HG2 DPR 20 9.925 3.281 -4.568
153 HG3 DPR 20 HG1 DPR 20 9.100 1.729 -4.798
154 HD2 DPR 20 HD2 DPR 20 7.746 4.037 -4.641
155 HD3 DPR 20 HD1 DPR 20 7.093 2.532 -3.964
156 HA PRO 21 HA PRO 21 8.523 1.282 1.860
157 HB2 PRO 21 HB2 PRO 21 9.335 2.878 3.844
158 HB3 PRO 21 HB1 PRO 21 10.492 1.984 2.853
159 HG2 PRO 21 HG2 PRO 21 9.672 4.854 2.678
160 HG3 PRO 21 HG1 PRO 21 11.293 4.149 2.561
161 HD2 PRO 21 HD2 PRO 21 9.781 4.881 0.394
162 HD3 PRO 21 HD1 PRO 21 11.034 3.628 0.345
163 H ARG 22 HN ARG 22 7.308 4.292 0.870
164 HA ARG 22 HA ARG 22 5.458 4.526 3.134
165 HB2 ARG 22 HB2 ARG 22 6.068 6.401 0.843
166 HB3 ARG 22 HB1 ARG 22 4.876 6.721 2.094
167 HG2 ARG 22 HG2 ARG 22 6.590 6.749 3.785
168 HG3 ARG 22 HG1 ARG 22 7.809 6.282 2.597
169 HD2 ARG 22 HD2 ARG 22 7.887 8.683 3.072
170 HD3 ARG 22 HD1 ARG 22 7.463 8.364 1.392
171 HE ARG 22 HE ARG 22 5.083 8.628 2.815
172 HH11 ARG 22 HH11 ARG 22 7.844 10.598 1.953
173 HH12 ARG 22 HH12 ARG 22 6.945 12.080 1.948
174 HH21 ARG 22 HH21 ARG 22 4.697 12.065 2.429
175 HH22 ARG 22 HH22 ARG 22 3.898 10.572 2.809
176 H TYR 23 HN TYR 23 3.171 4.917 2.700
177 HA TYR 23 HA TYR 23 2.154 4.173 0.106
178 HB2 TYR 23 HB2 TYR 23 0.874 2.253 0.876
179 HB3 TYR 23 HB1 TYR 23 2.590 1.984 1.125
180 HD1 TYR 23 HD1 TYR 23 -0.645 2.170 2.671
181 HD2 TYR 23 HD2 TYR 23 3.533 2.238 3.458
182 HE1 TYR 23 HE1 TYR 23 -1.088 1.659 5.031
183 HE2 TYR 23 HE2 TYR 23 3.102 1.727 5.823
184 HH TYR 23 HH TYR 23 1.263 1.967 7.451
185 H GLU 24 HN GLU 24 -0.077 4.483 -0.130
186 HA GLU 24 HA GLU 24 -1.449 5.851 2.081
187 HB2 GLU 24 HB2 GLU 24 -1.594 6.492 -0.873
188 HB3 GLU 24 HB1 GLU 24 -2.664 7.174 0.340
189 HG2 GLU 24 HG2 GLU 24 -0.744 8.207 1.448
190 HG3 GLU 24 HG1 GLU 24 0.319 7.534 0.212
191 HN1 MVA 25 HM1 MEV 25 -2.604 5.000 3.594
192 HN2 MVA 25 HM2 MEV 25 -4.362 5.125 3.540
193 HN3 MVA 25 HM3 MEV 25 -3.368 6.281 2.657
194 HA MVA 25 HA MEV 25 -4.506 2.993 0.613
195 HB MVA 25 HB MEV 25 -3.308 1.655 2.234
196 HG11 MVA 25 HG11 MEV 25 -3.353 3.008 4.214
197 HG12 MVA 25 HG12 MEV 25 -4.110 1.454 4.565
198 HG13 MVA 25 HG13 MEV 25 -5.109 2.885 4.308
199 HG21 MVA 25 HG21 MEV 25 -5.140 0.151 2.862
200 HG22 MVA 25 HG22 MEV 25 -5.289 0.732 1.205
201 HG23 MVA 25 HG23 MEV 25 -6.300 1.422 2.474
202 H HIS 26 HN HIS 26 -6.398 3.407 0.009
203 HA HIS 26 HA HIS 26 -8.229 4.882 1.765
204 HB2 HIS 26 HB2 HIS 26 -8.238 4.519 -1.237
205 HB3 HIS 26 HB1 HIS 26 -9.464 5.390 -0.331
206 HD1 HIS 26 HD1 HIS 26 -9.027 7.807 0.144
207 HD2 HIS 26 HD2 HIS 26 -5.636 5.800 -1.177
208 HE1 HIS 26 HE1 HIS 26 -7.298 9.590 -0.253
209 HE2 HIS 26 HE2 HIS 26 -5.221 8.343 -0.945
210 H CYS 27 HN CYS 27 -9.851 3.778 2.635
211 HA CYS 27 HA CYS 27 -10.576 1.203 1.436
212 HB2 CYS 27 HB2 CYS 27 -10.858 2.217 4.262
213 HB3 CYS 27 HB1 CYS 27 -11.546 0.701 3.696
214 HN1 NH2 28 HN1 NH2 28 -12.034 1.930 -0.056
215 HN2 NH2 28 HN2 NH2 28 -13.547 2.647 0.365
Start of MODEL 8
1 H1 ASN 1 HT1 ASN 1 9.846 -11.531 -3.221
2 H2 ASN 1 HT2 ASN 1 8.535 -11.356 -4.269
3 H3 ASN 1 HT3 ASN 1 8.562 -12.631 -3.160
4 HA ASN 1 HA ASN 1 7.068 -10.897 -2.441
5 HB2 ASN 1 HB2 ASN 1 9.602 -11.240 -0.823
6 HB3 ASN 1 HB1 ASN 1 8.156 -10.462 -0.191
7 HD21 ASN 1 HD21 ASN 1 7.805 -11.976 1.382
8 HD22 ASN 1 HD22 ASN 1 7.283 -13.589 1.035
9 H ASP 2 HN ASP 2 6.788 -8.713 -1.700
10 HA ASP 2 HA ASP 2 8.899 -6.796 -2.152
11 HB2 ASP 2 HB2 ASP 2 7.980 -7.143 -4.439
12 HB3 ASP 2 HB1 ASP 2 6.390 -6.688 -3.844
13 H AIB 3 HN AIB 3 8.501 -4.857 -1.099
14 HB11 AIB 3 HB11 AIB 3 7.894 -2.485 -0.440
15 HB12 AIB 3 HB12 AIB 3 8.771 -3.317 0.842
16 HB13 AIB 3 HB13 AIB 3 7.306 -2.413 1.221
17 HB21 AIB 3 HB21 AIB 3 7.880 -5.271 1.898
18 HB22 AIB 3 HB22 AIB 3 6.316 -5.937 1.426
19 HB23 AIB 3 HB23 AIB 3 6.396 -4.408 2.301
20 H CYS 4 HN CYS 4 6.290 -3.389 -2.027
21 HA CYS 4 HA CYS 4 3.787 -2.252 -1.317
22 HB2 CYS 4 HB2 CYS 4 5.139 -1.379 -3.166
23 HB3 CYS 4 HB1 CYS 4 4.907 -2.881 -4.049
24 H LYS 5 HN LYS 5 4.787 -5.320 -2.666
25 HA LYS 5 HA LYS 5 2.197 -6.175 -3.451
26 HB2 LYS 5 HB2 LYS 5 4.319 -7.203 -4.274
27 HB3 LYS 5 HB1 LYS 5 4.562 -7.894 -2.676
28 HG2 LYS 5 HG2 LYS 5 2.445 -9.142 -2.923
29 HG3 LYS 5 HG1 LYS 5 2.286 -8.497 -4.559
30 HD2 LYS 5 HD2 LYS 5 4.468 -9.536 -5.121
31 HD3 LYS 5 HD1 LYS 5 4.494 -10.266 -3.515
32 HE2 LYS 5 HE2 LYS 5 2.400 -10.720 -5.640
33 HE3 LYS 5 HE1 LYS 5 3.683 -11.843 -5.192
34 HZ1 LYS 5 HZ1 LYS 5 2.719 -11.967 -2.965
35 HZ2 LYS 5 HZ2 LYS 5 1.617 -12.460 -4.146
36 HZ3 LYS 5 HZ3 LYS 5 1.468 -10.932 -3.439
37 H AIB 6 HN AIB 6 4.124 -6.557 -0.523
38 HB11 AIB 6 HB11 AIB 6 3.529 -7.198 2.940
39 HB12 AIB 6 HB12 AIB 6 4.168 -5.905 1.924
40 HB13 AIB 6 HB13 AIB 6 4.703 -7.567 1.677
41 HB21 AIB 6 HB21 AIB 6 1.567 -8.826 0.315
42 HB22 AIB 6 HB22 AIB 6 1.949 -8.831 2.036
43 HB23 AIB 6 HB23 AIB 6 3.191 -9.246 0.856
44 H LEU 7 HN LEU 7 2.586 -4.640 0.692
45 HA LEU 7 HA LEU 7 0.420 -4.091 2.417
46 HB2 LEU 7 HB2 LEU 7 1.457 -2.460 0.103
47 HB3 LEU 7 HB1 LEU 7 0.377 -1.874 1.347
48 HG LEU 7 HG LEU 7 3.218 -2.795 1.798
49 HD11 LEU 7 HD11 LEU 7 3.689 -0.440 2.201
50 HD12 LEU 7 HD12 LEU 7 2.019 -0.031 1.812
51 HD13 LEU 7 HD13 LEU 7 3.079 -0.686 0.565
52 HD21 LEU 7 HD21 LEU 7 1.207 -1.555 3.671
53 HD22 LEU 7 HD22 LEU 7 2.903 -1.856 4.047
54 HD23 LEU 7 HD23 LEU 7 1.813 -3.209 3.742
55 H LYS 8 HN LYS 8 0.609 -4.602 -1.056
56 HA LYS 8 HA LYS 8 -2.032 -3.904 -1.689
57 HB2 LYS 8 HB2 LYS 8 -0.136 -4.200 -3.303
58 HB3 LYS 8 HB1 LYS 8 -0.297 -5.936 -3.097
59 HG2 LYS 8 HG2 LYS 8 -2.527 -5.875 -4.031
60 HG3 LYS 8 HG1 LYS 8 -2.447 -4.115 -4.157
61 HD2 LYS 8 HD2 LYS 8 -0.485 -4.368 -5.662
62 HD3 LYS 8 HD1 LYS 8 -0.721 -6.115 -5.613
63 HE2 LYS 8 HE2 LYS 8 -2.765 -4.119 -6.576
64 HE3 LYS 8 HE1 LYS 8 -1.697 -5.049 -7.623
65 HZ1 LYS 8 HZ1 LYS 8 -3.869 -6.069 -7.468
66 HZ2 LYS 8 HZ2 LYS 8 -3.740 -6.174 -5.787
67 HZ3 LYS 8 HZ3 LYS 8 -2.706 -7.078 -6.771
68 H AIB 9 HN AIB 9 -0.562 -7.054 -1.005
69 HB11 AIB 9 HB11 AIB 9 -0.560 -9.534 -1.096
70 HB12 AIB 9 HB12 AIB 9 -1.596 -10.280 0.121
71 HB13 AIB 9 HB13 AIB 9 -0.454 -9.021 0.588
72 HB21 AIB 9 HB21 AIB 9 -3.695 -9.674 -1.077
73 HB22 AIB 9 HB22 AIB 9 -2.551 -9.217 -2.339
74 HB23 AIB 9 HB23 AIB 9 -3.791 -8.080 -1.823
75 H ARG 10 HN ARG 10 -1.419 -6.830 1.446
76 HA ARG 10 HA ARG 10 -3.019 -7.745 3.559
77 HB2 ARG 10 HB2 ARG 10 -0.912 -6.522 3.865
78 HB3 ARG 10 HB1 ARG 10 -1.647 -5.074 3.193
79 HG2 ARG 10 HG2 ARG 10 -3.183 -4.961 5.067
80 HG3 ARG 10 HG1 ARG 10 -2.496 -6.442 5.738
81 HD2 ARG 10 HD2 ARG 10 -1.062 -3.818 5.312
82 HD3 ARG 10 HD1 ARG 10 -1.560 -4.500 6.861
83 HE ARG 10 HE ARG 10 0.067 -6.384 5.617
84 HH11 ARG 10 HH11 ARG 10 2.066 -3.336 7.301
85 HH12 ARG 10 HH12 ARG 10 0.377 -3.152 6.952
86 HH21 ARG 10 HH21 ARG 10 2.267 -6.621 6.089
87 HH22 ARG 10 HH22 ARG 10 3.145 -5.306 6.807
88 H TYR 11 HN TYR 11 -3.364 -4.979 1.396
89 HA TYR 11 HA TYR 11 -5.938 -4.319 2.624
90 HB2 TYR 11 HB2 TYR 11 -4.183 -2.803 0.684
91 HB3 TYR 11 HB1 TYR 11 -5.726 -2.222 1.293
92 HD1 TYR 11 HD1 TYR 11 -5.953 -2.045 3.873
93 HD2 TYR 11 HD2 TYR 11 -2.227 -2.305 1.839
94 HE1 TYR 11 HE1 TYR 11 -4.824 -1.087 5.833
95 HE2 TYR 11 HE2 TYR 11 -1.088 -1.346 3.792
96 HH TYR 11 HH TYR 11 -1.646 0.072 5.748
97 H AIB 12 HN AIB 12 -6.190 -6.590 1.357
98 HB11 AIB 12 HB11 AIB 12 -8.105 -8.183 0.776
99 HB12 AIB 12 HB12 AIB 12 -6.548 -8.673 0.110
100 HB13 AIB 12 HB13 AIB 12 -7.985 -8.680 -0.911
101 HB21 AIB 12 HB21 AIB 12 -5.417 -7.263 -1.537
102 HB22 AIB 12 HB22 AIB 12 -6.170 -5.775 -2.102
103 HB23 AIB 12 HB23 AIB 12 -6.872 -7.335 -2.526
104 H GLY 13 HN GLY 13 -8.777 -5.569 1.117
105 HA2 GLY 13 HA2 GLY 13 -10.879 -5.195 -0.896
106 HA3 GLY 13 HA1 GLY 13 -11.109 -5.147 0.843
107 H CYS 14 HN CYS 14 -8.356 -3.459 -0.201
108 HA CYS 14 HA CYS 14 -9.821 -0.918 -0.346
109 HB2 CYS 14 HB2 CYS 14 -7.285 -1.129 1.248
110 HB3 CYS 14 HB1 CYS 14 -8.518 0.115 1.316
111 H GLU 15 HN GLU 15 -7.920 0.849 -0.771
112 HA GLU 15 HA GLU 15 -6.253 -0.240 -2.943
113 HB2 GLU 15 HB2 GLU 15 -7.375 2.550 -2.636
114 HB3 GLU 15 HB1 GLU 15 -6.355 2.001 -3.956
115 HG2 GLU 15 HG2 GLU 15 -8.120 0.351 -4.537
116 HG3 GLU 15 HG1 GLU 15 -9.145 1.099 -3.313
117 HN1 MVA 16 HM1 MEV 16 -4.294 -0.920 -3.271
118 HN2 MVA 16 HM2 MEV 16 -2.991 0.142 -3.806
119 HN3 MVA 16 HM3 MEV 16 -4.670 0.557 -4.154
120 HA MVA 16 HA MEV 16 -3.087 2.154 -0.863
121 HB MVA 16 HB MEV 16 -3.009 0.005 0.235
122 HG11 MVA 16 HG11 MEV 16 -1.505 -1.784 -0.544
123 HG12 MVA 16 HG12 MEV 16 -1.295 -0.911 -2.063
124 HG13 MVA 16 HG13 MEV 16 -2.887 -1.526 -1.609
125 HG21 MVA 16 HG21 MEV 16 -0.265 0.946 -0.572
126 HG22 MVA 16 HG22 MEV 16 -0.653 -0.017 0.853
127 HG23 MVA 16 HG23 MEV 16 -1.264 1.632 0.708
128 H ARG 17 HN ARG 17 -1.961 3.619 -1.774
129 HA ARG 17 HA ARG 17 -0.373 3.097 -4.158
130 HB2 ARG 17 HB2 ARG 17 -0.699 5.668 -2.607
131 HB3 ARG 17 HB1 ARG 17 -0.008 5.495 -4.210
132 HG2 ARG 17 HG2 ARG 17 -2.142 4.900 -5.127
133 HG3 ARG 17 HG1 ARG 17 -2.870 4.880 -3.518
134 HD2 ARG 17 HD2 ARG 17 -2.264 7.294 -3.294
135 HD3 ARG 17 HD1 ARG 17 -1.741 7.268 -4.976
136 HE ARG 17 HE ARG 17 -4.214 6.424 -5.282
137 HH11 ARG 17 HH11 ARG 17 -4.478 9.900 -3.273
138 HH12 ARG 17 HH12 ARG 17 -3.005 8.982 -3.201
139 HH21 ARG 17 HH21 ARG 17 -6.141 7.633 -5.382
140 HH22 ARG 17 HH22 ARG 17 -6.266 9.129 -4.517
141 H CYS 18 HN CYS 18 1.527 2.149 -3.747
142 HA CYS 18 HA CYS 18 2.887 2.615 -1.235
143 HB2 CYS 18 HB2 CYS 18 4.507 0.911 -2.211
144 HB3 CYS 18 HB1 CYS 18 2.864 0.354 -1.921
145 H ASP 19 HN ASP 19 4.610 3.860 -0.918
146 HA ASP 19 HA ASP 19 6.255 4.697 -3.182
147 HB2 ASP 19 HB2 ASP 19 4.474 6.447 -2.739
148 HB3 ASP 19 HB1 ASP 19 5.206 6.683 -1.157
149 HA DPR 20 HA DPR 20 9.692 4.239 -0.355
150 HB2 DPR 20 HB2 DPR 20 10.750 2.312 -0.972
151 HB3 DPR 20 HB1 DPR 20 9.294 1.332 -0.773
152 HG2 DPR 20 HG2 DPR 20 10.106 3.061 -3.079
153 HG3 DPR 20 HG1 DPR 20 9.391 1.437 -3.093
154 HD2 DPR 20 HD2 DPR 20 7.926 3.646 -3.552
155 HD3 DPR 20 HD1 DPR 20 7.256 2.241 -2.697
156 HA PRO 21 HA PRO 21 8.280 2.369 3.493
157 HB2 PRO 21 HB2 PRO 21 8.826 4.461 5.086
158 HB3 PRO 21 HB1 PRO 21 10.101 3.417 4.449
159 HG2 PRO 21 HG2 PRO 21 9.194 6.098 3.484
160 HG3 PRO 21 HG1 PRO 21 10.845 5.485 3.687
161 HD2 PRO 21 HD2 PRO 21 9.562 5.563 1.281
162 HD3 PRO 21 HD1 PRO 21 10.804 4.364 1.682
163 H ARG 22 HN ARG 22 7.025 5.038 1.789
164 HA ARG 22 HA ARG 22 4.893 5.490 3.760
165 HB2 ARG 22 HB2 ARG 22 5.633 7.080 1.293
166 HB3 ARG 22 HB1 ARG 22 4.376 7.507 2.443
167 HG2 ARG 22 HG2 ARG 22 6.050 7.790 4.190
168 HG3 ARG 22 HG1 ARG 22 7.318 7.322 3.056
169 HD2 ARG 22 HD2 ARG 22 7.250 9.735 3.257
170 HD3 ARG 22 HD1 ARG 22 6.740 9.252 1.640
171 HE ARG 22 HE ARG 22 4.647 9.740 3.615
172 HH11 ARG 22 HH11 ARG 22 6.444 10.891 0.838
173 HH12 ARG 22 HH12 ARG 22 5.277 12.112 0.435
174 HH21 ARG 22 HH21 ARG 22 3.387 12.368 1.705
175 HH22 ARG 22 HH22 ARG 22 3.109 11.340 3.075
176 H TYR 23 HN TYR 23 2.688 5.496 3.056
177 HA TYR 23 HA TYR 23 2.064 4.779 0.356
178 HB2 TYR 23 HB2 TYR 23 0.899 2.698 0.839
179 HB3 TYR 23 HB1 TYR 23 2.599 2.567 1.250
180 HD1 TYR 23 HD1 TYR 23 -0.808 2.529 2.515
181 HD2 TYR 23 HD2 TYR 23 3.301 2.464 3.608
182 HE1 TYR 23 HE1 TYR 23 -1.424 1.791 4.777
183 HE2 TYR 23 HE2 TYR 23 2.697 1.727 5.869
184 HH TYR 23 HH TYR 23 -0.375 0.591 6.681
185 H GLU 24 HN GLU 24 -0.109 4.986 -0.153
186 HA GLU 24 HA GLU 24 -1.743 6.296 1.917
187 HB2 GLU 24 HB2 GLU 24 -1.987 6.457 -1.094
188 HB3 GLU 24 HB1 GLU 24 -3.037 7.265 0.054
189 HG2 GLU 24 HG2 GLU 24 -0.971 8.445 0.907
190 HG3 GLU 24 HG1 GLU 24 -0.149 7.816 -0.522
191 HN1 MVA 25 HM1 MEV 25 -3.741 6.676 2.344
192 HN2 MVA 25 HM2 MEV 25 -2.921 5.610 3.485
193 HN3 MVA 25 HM3 MEV 25 -4.681 5.584 3.358
194 HA MVA 25 HA MEV 25 -4.608 3.124 0.716
195 HB MVA 25 HB MEV 25 -3.372 1.996 2.452
196 HG11 MVA 25 HG11 MEV 25 -5.220 3.344 4.408
197 HG12 MVA 25 HG12 MEV 25 -3.474 3.555 4.279
198 HG13 MVA 25 HG13 MEV 25 -4.140 2.005 4.795
199 HG21 MVA 25 HG21 MEV 25 -6.356 1.677 2.705
200 HG22 MVA 25 HG22 MEV 25 -5.162 0.503 3.261
201 HG23 MVA 25 HG23 MEV 25 -5.297 0.875 1.543
202 H HIS 26 HN HIS 26 -6.509 3.407 0.051
203 HA HIS 26 HA HIS 26 -8.465 4.835 1.731
204 HB2 HIS 26 HB2 HIS 26 -8.271 4.481 -1.257
205 HB3 HIS 26 HB1 HIS 26 -9.728 5.061 -0.472
206 HD1 HIS 26 HD1 HIS 26 -9.896 7.507 -0.196
207 HD2 HIS 26 HD2 HIS 26 -5.966 6.277 -0.737
208 HE1 HIS 26 HE1 HIS 26 -8.551 9.619 -0.372
209 HE2 HIS 26 HE2 HIS 26 -6.158 8.846 -0.483
210 H CYS 27 HN CYS 27 -10.281 3.770 2.361
211 HA CYS 27 HA CYS 27 -10.949 1.259 1.043
212 HB2 CYS 27 HB2 CYS 27 -9.343 0.990 3.090
213 HB3 CYS 27 HB1 CYS 27 -10.799 1.284 4.030
214 HN1 NH2 28 HN1 NH2 28 -12.692 2.626 0.346
215 HN2 NH2 28 HN2 NH2 28 -14.030 2.931 1.395
Start of MODEL 9
1 H1 ASN 1 HT1 ASN 1 11.156 -10.585 -1.282
2 H2 ASN 1 HT2 ASN 1 10.881 -11.612 0.033
3 H3 ASN 1 HT3 ASN 1 11.469 -10.046 0.289
4 HA ASN 1 HA ASN 1 8.814 -10.729 -0.820
5 HB2 ASN 1 HB2 ASN 1 7.903 -10.002 1.294
6 HB3 ASN 1 HB1 ASN 1 9.137 -11.209 1.629
7 HD21 ASN 1 HD21 ASN 1 8.119 -7.990 2.102
8 HD22 ASN 1 HD22 ASN 1 9.461 -7.460 3.057
9 H ASP 2 HN ASP 2 7.484 -8.889 -1.255
10 HA ASP 2 HA ASP 2 9.075 -6.467 -1.781
11 HB2 ASP 2 HB2 ASP 2 8.293 -7.571 -3.820
12 HB3 ASP 2 HB1 ASP 2 6.634 -7.491 -3.238
13 H AIB 3 HN AIB 3 8.441 -4.559 -1.036
14 HB11 AIB 3 HB11 AIB 3 7.664 -2.187 -0.789
15 HB12 AIB 3 HB12 AIB 3 8.513 -2.725 0.660
16 HB13 AIB 3 HB13 AIB 3 6.973 -1.878 0.804
17 HB21 AIB 3 HB21 AIB 3 6.138 -3.710 2.173
18 HB22 AIB 3 HB22 AIB 3 7.685 -4.537 1.993
19 HB23 AIB 3 HB23 AIB 3 6.188 -5.369 1.576
20 H CYS 4 HN CYS 4 6.203 -3.239 -2.242
21 HA CYS 4 HA CYS 4 3.632 -2.187 -1.758
22 HB2 CYS 4 HB2 CYS 4 4.912 -3.065 -4.344
23 HB3 CYS 4 HB1 CYS 4 3.407 -2.168 -4.234
24 H LYS 5 HN LYS 5 4.714 -5.331 -2.974
25 HA LYS 5 HA LYS 5 2.143 -6.332 -3.554
26 HB2 LYS 5 HB2 LYS 5 4.235 -7.367 -4.370
27 HB3 LYS 5 HB1 LYS 5 4.611 -7.872 -2.728
28 HG2 LYS 5 HG2 LYS 5 2.666 -9.312 -2.684
29 HG3 LYS 5 HG1 LYS 5 2.192 -8.758 -4.291
30 HD2 LYS 5 HD2 LYS 5 4.253 -9.687 -5.223
31 HD3 LYS 5 HD1 LYS 5 4.737 -10.229 -3.615
32 HE2 LYS 5 HE2 LYS 5 2.259 -11.123 -5.084
33 HE3 LYS 5 HE1 LYS 5 3.757 -12.043 -4.969
34 HZ1 LYS 5 HZ1 LYS 5 2.156 -12.802 -3.351
35 HZ2 LYS 5 HZ2 LYS 5 2.024 -11.252 -2.694
36 HZ3 LYS 5 HZ3 LYS 5 3.479 -12.102 -2.562
37 H AIB 6 HN AIB 6 4.130 -6.449 -0.635
38 HB11 AIB 6 HB11 AIB 6 3.665 -7.070 2.854
39 HB12 AIB 6 HB12 AIB 6 4.164 -5.709 1.852
40 HB13 AIB 6 HB13 AIB 6 4.811 -7.317 1.539
41 HB21 AIB 6 HB21 AIB 6 2.086 -8.685 2.073
42 HB22 AIB 6 HB22 AIB 6 3.266 -9.123 0.839
43 HB23 AIB 6 HB23 AIB 6 1.611 -8.737 0.376
44 H LEU 7 HN LEU 7 2.564 -4.566 0.466
45 HA LEU 7 HA LEU 7 0.526 -3.939 2.317
46 HB2 LEU 7 HB2 LEU 7 1.399 -2.416 -0.134
47 HB3 LEU 7 HB1 LEU 7 0.422 -1.774 1.169
48 HG LEU 7 HG LEU 7 3.272 -2.730 1.460
49 HD11 LEU 7 HD11 LEU 7 3.797 -0.348 1.725
50 HD12 LEU 7 HD12 LEU 7 2.126 0.048 1.329
51 HD13 LEU 7 HD13 LEU 7 3.159 -0.714 0.122
52 HD21 LEU 7 HD21 LEU 7 3.128 -1.630 3.662
53 HD22 LEU 7 HD22 LEU 7 2.021 -2.994 3.515
54 HD23 LEU 7 HD23 LEU 7 1.410 -1.346 3.385
55 H LYS 8 HN LYS 8 0.496 -4.603 -1.147
56 HA LYS 8 HA LYS 8 -2.216 -4.046 -1.582
57 HB2 LYS 8 HB2 LYS 8 -0.568 -4.364 -3.394
58 HB3 LYS 8 HB1 LYS 8 -0.489 -6.077 -3.003
59 HG2 LYS 8 HG2 LYS 8 -2.850 -6.323 -3.578
60 HG3 LYS 8 HG1 LYS 8 -2.934 -4.604 -3.964
61 HD2 LYS 8 HD2 LYS 8 -2.688 -5.882 -5.997
62 HD3 LYS 8 HD1 LYS 8 -1.223 -4.942 -5.709
63 HE2 LYS 8 HE2 LYS 8 -0.154 -6.946 -4.758
64 HE3 LYS 8 HE1 LYS 8 -1.614 -7.872 -5.103
65 HZ1 LYS 8 HZ1 LYS 8 0.138 -6.550 -7.103
66 HZ2 LYS 8 HZ2 LYS 8 -1.299 -7.371 -7.461
67 HZ3 LYS 8 HZ3 LYS 8 0.018 -8.212 -6.818
68 H AIB 9 HN AIB 9 -0.589 -7.127 -0.865
69 HB11 AIB 9 HB11 AIB 9 -0.531 -9.590 -0.756
70 HB12 AIB 9 HB12 AIB 9 -1.476 -10.287 0.557
71 HB13 AIB 9 HB13 AIB 9 -0.333 -8.988 0.890
72 HB21 AIB 9 HB21 AIB 9 -3.562 -9.871 -0.548
73 HB22 AIB 9 HB22 AIB 9 -2.654 -9.261 -1.931
74 HB23 AIB 9 HB23 AIB 9 -3.931 -8.280 -1.215
75 H ARG 10 HN ARG 10 -1.360 -6.633 1.601
76 HA ARG 10 HA ARG 10 -2.877 -7.459 3.857
77 HB2 ARG 10 HB2 ARG 10 -0.661 -6.244 3.876
78 HB3 ARG 10 HB1 ARG 10 -1.534 -4.791 3.422
79 HG2 ARG 10 HG2 ARG 10 -2.826 -4.915 5.484
80 HG3 ARG 10 HG1 ARG 10 -1.955 -6.379 5.944
81 HD2 ARG 10 HD2 ARG 10 -0.798 -3.619 5.557
82 HD3 ARG 10 HD1 ARG 10 -0.980 -4.486 7.080
83 HE ARG 10 HE ARG 10 0.583 -6.130 5.562
84 HH11 ARG 10 HH11 ARG 10 2.552 -2.769 6.556
85 HH12 ARG 10 HH12 ARG 10 0.818 -2.795 6.621
86 HH21 ARG 10 HH21 ARG 10 2.868 -6.091 5.501
87 HH22 ARG 10 HH22 ARG 10 3.713 -4.638 5.939
88 H TYR 11 HN TYR 11 -3.370 -5.122 1.303
89 HA TYR 11 HA TYR 11 -5.885 -4.273 2.594
90 HB2 TYR 11 HB2 TYR 11 -4.013 -2.621 0.890
91 HB3 TYR 11 HB1 TYR 11 -5.553 -2.071 1.538
92 HD1 TYR 11 HD1 TYR 11 -5.794 -2.275 4.151
93 HD2 TYR 11 HD2 TYR 11 -2.086 -2.159 2.071
94 HE1 TYR 11 HE1 TYR 11 -4.674 -1.537 6.206
95 HE2 TYR 11 HE2 TYR 11 -0.950 -1.419 4.122
96 HH TYR 11 HH TYR 11 -1.586 -0.225 6.250
97 H AIB 12 HN AIB 12 -5.788 -6.455 0.848
98 HB11 AIB 12 HB11 AIB 12 -5.977 -8.214 -0.824
99 HB12 AIB 12 HB12 AIB 12 -7.404 -8.141 -1.856
100 HB13 AIB 12 HB13 AIB 12 -7.579 -8.070 -0.105
101 HB21 AIB 12 HB21 AIB 12 -5.999 -4.850 -2.332
102 HB22 AIB 12 HB22 AIB 12 -6.568 -6.331 -3.105
103 HB23 AIB 12 HB23 AIB 12 -5.072 -6.342 -2.171
104 H GLY 13 HN GLY 13 -8.369 -5.569 0.923
105 HA2 GLY 13 HA2 GLY 13 -10.728 -5.175 -0.736
106 HA3 GLY 13 HA1 GLY 13 -10.676 -5.151 1.018
107 H CYS 14 HN CYS 14 -8.240 -3.289 -0.425
108 HA CYS 14 HA CYS 14 -9.832 -0.842 -0.488
109 HB2 CYS 14 HB2 CYS 14 -7.348 -1.127 1.217
110 HB3 CYS 14 HB1 CYS 14 -8.317 0.326 1.031
111 H GLU 15 HN GLU 15 -8.232 1.039 -1.125
112 HA GLU 15 HA GLU 15 -6.476 0.040 -3.245
113 HB2 GLU 15 HB2 GLU 15 -7.681 2.754 -2.706
114 HB3 GLU 15 HB1 GLU 15 -6.457 2.481 -3.938
115 HG2 GLU 15 HG2 GLU 15 -9.124 1.098 -3.845
116 HG3 GLU 15 HG1 GLU 15 -8.761 2.524 -4.815
117 HN1 MVA 16 HM1 MEV 16 -3.193 0.071 -3.960
118 HN2 MVA 16 HM2 MEV 16 -4.814 0.640 -4.358
119 HN3 MVA 16 HM3 MEV 16 -4.601 -0.858 -3.449
120 HA MVA 16 HA MEV 16 -3.213 2.102 -0.995
121 HB MVA 16 HB MEV 16 -3.253 -0.151 -0.046
122 HG11 MVA 16 HG11 MEV 16 -2.986 -1.532 -2.004
123 HG12 MVA 16 HG12 MEV 16 -1.702 -1.876 -0.843
124 HG13 MVA 16 HG13 MEV 16 -1.362 -0.891 -2.267
125 HG21 MVA 16 HG21 MEV 16 -0.494 0.920 -0.602
126 HG22 MVA 16 HG22 MEV 16 -0.910 -0.212 0.685
127 HG23 MVA 16 HG23 MEV 16 -1.577 1.421 0.696
128 H ARG 17 HN ARG 17 -1.963 3.537 -1.768
129 HA ARG 17 HA ARG 17 -0.358 3.002 -4.164
130 HB2 ARG 17 HB2 ARG 17 -0.873 5.628 -2.755
131 HB3 ARG 17 HB1 ARG 17 -0.076 5.418 -4.305
132 HG2 ARG 17 HG2 ARG 17 -2.139 4.641 -5.299
133 HG3 ARG 17 HG1 ARG 17 -2.955 4.744 -3.738
134 HD2 ARG 17 HD2 ARG 17 -2.472 7.176 -3.694
135 HD3 ARG 17 HD1 ARG 17 -1.773 7.039 -5.305
136 HE ARG 17 HE ARG 17 -4.364 6.001 -5.407
137 HH11 ARG 17 HH11 ARG 17 -4.104 10.010 -5.445
138 HH12 ARG 17 HH12 ARG 17 -2.791 9.068 -4.816
139 HH21 ARG 17 HH21 ARG 17 -6.111 7.232 -6.221
140 HH22 ARG 17 HH22 ARG 17 -5.999 8.963 -6.248
141 H CYS 18 HN CYS 18 1.531 2.080 -3.561
142 HA CYS 18 HA CYS 18 2.757 2.769 -1.054
143 HB2 CYS 18 HB2 CYS 18 4.513 1.149 -1.714
144 HB3 CYS 18 HB1 CYS 18 2.892 0.469 -1.777
145 H ASP 19 HN ASP 19 4.248 4.210 -0.685
146 HA ASP 19 HA ASP 19 5.726 5.390 -2.934
147 HB2 ASP 19 HB2 ASP 19 3.961 6.936 -2.093
148 HB3 ASP 19 HB1 ASP 19 4.692 6.855 -0.495
149 HA DPR 20 HA DPR 20 9.429 4.864 -0.452
150 HB2 DPR 20 HB2 DPR 20 10.809 3.677 -1.809
151 HB3 DPR 20 HB1 DPR 20 9.683 2.324 -1.912
152 HG2 DPR 20 HG2 DPR 20 9.793 4.823 -3.541
153 HG3 DPR 20 HG1 DPR 20 9.416 3.166 -4.049
154 HD2 DPR 20 HD2 DPR 20 7.500 5.019 -3.688
155 HD3 DPR 20 HD1 DPR 20 7.227 3.307 -3.308
156 HA PRO 21 HA PRO 21 8.485 1.344 2.244
157 HB2 PRO 21 HB2 PRO 21 9.187 2.505 4.542
158 HB3 PRO 21 HB1 PRO 21 10.407 1.956 3.387
159 HG2 PRO 21 HG2 PRO 21 9.357 4.718 3.860
160 HG3 PRO 21 HG1 PRO 21 11.029 4.187 3.609
161 HD2 PRO 21 HD2 PRO 21 9.450 5.267 1.637
162 HD3 PRO 21 HD1 PRO 21 10.806 4.168 1.329
163 H ARG 22 HN ARG 22 7.029 4.332 1.800
164 HA ARG 22 HA ARG 22 5.093 3.925 3.974
165 HB2 ARG 22 HB2 ARG 22 5.687 6.361 2.287
166 HB3 ARG 22 HB1 ARG 22 4.412 6.277 3.496
167 HG2 ARG 22 HG2 ARG 22 6.094 5.848 5.226
168 HG3 ARG 22 HG1 ARG 22 7.363 5.978 4.007
169 HD2 ARG 22 HD2 ARG 22 6.717 8.287 3.566
170 HD3 ARG 22 HD1 ARG 22 5.414 8.160 4.748
171 HE ARG 22 HE ARG 22 8.003 7.551 5.841
172 HH11 ARG 22 HH11 ARG 22 5.783 10.141 5.049
173 HH12 ARG 22 HH12 ARG 22 6.424 11.225 6.238
174 HH21 ARG 22 HH21 ARG 22 8.171 10.568 7.576
175 HH22 ARG 22 HH22 ARG 22 8.853 8.983 7.406
176 H TYR 23 HN TYR 23 2.796 4.749 3.277
177 HA TYR 23 HA TYR 23 2.126 4.258 0.529
178 HB2 TYR 23 HB2 TYR 23 0.689 2.316 0.947
179 HB3 TYR 23 HB1 TYR 23 2.376 1.967 1.297
180 HD1 TYR 23 HD1 TYR 23 -0.976 2.216 2.647
181 HD2 TYR 23 HD2 TYR 23 3.131 1.766 3.649
182 HE1 TYR 23 HE1 TYR 23 -1.615 1.444 4.891
183 HE2 TYR 23 HE2 TYR 23 2.505 0.993 5.894
184 HH TYR 23 HH TYR 23 0.597 1.206 7.451
185 H GLU 24 HN GLU 24 0.018 4.714 0.006
186 HA GLU 24 HA GLU 24 -1.625 5.969 2.094
187 HB2 GLU 24 HB2 GLU 24 -1.421 6.336 -0.879
188 HB3 GLU 24 HB1 GLU 24 -2.907 6.755 -0.045
189 HG2 GLU 24 HG2 GLU 24 -0.238 7.853 0.758
190 HG3 GLU 24 HG1 GLU 24 -1.272 8.628 -0.442
191 HN1 MVA 25 HM1 MEV 25 -2.848 5.219 3.629
192 HN2 MVA 25 HM2 MEV 25 -4.603 5.241 3.465
193 HN3 MVA 25 HM3 MEV 25 -3.613 6.351 2.515
194 HA MVA 25 HA MEV 25 -4.561 2.906 0.726
195 HB MVA 25 HB MEV 25 -3.343 1.629 2.354
196 HG11 MVA 25 HG11 MEV 25 -5.071 2.933 4.445
197 HG12 MVA 25 HG12 MEV 25 -3.324 3.092 4.262
198 HG13 MVA 25 HG13 MEV 25 -4.026 1.539 4.718
199 HG21 MVA 25 HG21 MEV 25 -5.365 0.664 1.445
200 HG22 MVA 25 HG22 MEV 25 -6.324 1.404 2.728
201 HG23 MVA 25 HG23 MEV 25 -5.145 0.150 3.118
202 H HIS 26 HN HIS 26 -6.420 3.419 0.062
203 HA HIS 26 HA HIS 26 -8.357 4.603 1.936
204 HB2 HIS 26 HB2 HIS 26 -7.955 5.225 -0.995
205 HB3 HIS 26 HB1 HIS 26 -9.305 5.810 -0.037
206 HD1 HIS 26 HD1 HIS 26 -8.971 8.077 0.913
207 HD2 HIS 26 HD2 HIS 26 -5.361 6.143 0.211
208 HE1 HIS 26 HE1 HIS 26 -7.182 9.747 1.494
209 HE2 HIS 26 HE2 HIS 26 -5.000 8.535 1.126
210 H CYS 27 HN CYS 27 -10.037 3.323 2.260
211 HA CYS 27 HA CYS 27 -10.484 1.078 0.480
212 HB2 CYS 27 HB2 CYS 27 -11.867 1.768 3.071
213 HB3 CYS 27 HB1 CYS 27 -11.925 0.226 2.227
214 HN1 NH2 28 HN1 NH2 28 -11.341 2.144 -1.313
215 HN2 NH2 28 HN2 NH2 28 -12.943 2.793 -1.316
Start of MODEL 10
1 H1 ASN 1 HT1 ASN 1 11.928 -10.285 -0.841
2 H2 ASN 1 HT2 ASN 1 12.325 -8.788 -1.518
3 H3 ASN 1 HT3 ASN 1 11.149 -9.753 -2.246
4 HA ASN 1 HA ASN 1 9.703 -9.501 -0.352
5 HB2 ASN 1 HB2 ASN 1 11.612 -9.215 1.280
6 HB3 ASN 1 HB1 ASN 1 11.791 -7.568 0.688
7 HD21 ASN 1 HD21 ASN 1 11.145 -8.564 3.353
8 HD22 ASN 1 HD22 ASN 1 9.641 -7.832 3.786
9 H ASP 2 HN ASP 2 8.148 -8.414 -1.346
10 HA ASP 2 HA ASP 2 8.804 -5.832 -2.595
11 HB2 ASP 2 HB2 ASP 2 6.566 -7.769 -3.222
12 HB3 ASP 2 HB1 ASP 2 6.759 -6.192 -3.972
13 H AIB 3 HN AIB 3 8.402 -4.344 -1.097
14 HB11 AIB 3 HB11 AIB 3 7.532 -2.019 -0.528
15 HB12 AIB 3 HB12 AIB 3 8.426 -2.753 0.804
16 HB13 AIB 3 HB13 AIB 3 6.866 -1.986 1.104
17 HB21 AIB 3 HB21 AIB 3 7.655 -4.781 1.850
18 HB22 AIB 3 HB22 AIB 3 6.175 -5.576 1.316
19 HB23 AIB 3 HB23 AIB 3 6.088 -4.035 2.168
20 H CYS 4 HN CYS 4 6.122 -3.088 -2.173
21 HA CYS 4 HA CYS 4 3.533 -2.103 -1.677
22 HB2 CYS 4 HB2 CYS 4 5.025 -1.424 -3.574
23 HB3 CYS 4 HB1 CYS 4 4.653 -2.960 -4.345
24 H LYS 5 HN LYS 5 4.695 -5.226 -2.786
25 HA LYS 5 HA LYS 5 2.153 -6.232 -3.560
26 HB2 LYS 5 HB2 LYS 5 4.311 -7.223 -4.312
27 HB3 LYS 5 HB1 LYS 5 4.591 -7.786 -2.671
28 HG2 LYS 5 HG2 LYS 5 2.454 -9.092 -2.856
29 HG3 LYS 5 HG1 LYS 5 2.430 -8.670 -4.569
30 HD2 LYS 5 HD2 LYS 5 3.412 -10.847 -4.335
31 HD3 LYS 5 HD1 LYS 5 4.681 -9.709 -4.792
32 HE2 LYS 5 HE2 LYS 5 5.457 -9.590 -2.509
33 HE3 LYS 5 HE1 LYS 5 4.113 -10.592 -1.965
34 HZ1 LYS 5 HZ1 LYS 5 6.334 -11.436 -3.743
35 HZ2 LYS 5 HZ2 LYS 5 5.011 -12.403 -3.335
36 HZ3 LYS 5 HZ3 LYS 5 6.094 -11.909 -2.139
37 H AIB 6 HN AIB 6 4.115 -6.510 -0.633
38 HB11 AIB 6 HB11 AIB 6 3.615 -7.248 2.828
39 HB12 AIB 6 HB12 AIB 6 4.190 -5.898 1.851
40 HB13 AIB 6 HB13 AIB 6 4.761 -7.534 1.519
41 HB21 AIB 6 HB21 AIB 6 3.230 -9.228 0.713
42 HB22 AIB 6 HB22 AIB 6 1.589 -8.810 0.224
43 HB23 AIB 6 HB23 AIB 6 2.016 -8.848 1.934
44 H LEU 7 HN LEU 7 2.556 -4.638 0.599
45 HA LEU 7 HA LEU 7 0.483 -4.121 2.445
46 HB2 LEU 7 HB2 LEU 7 1.442 -2.458 0.121
47 HB3 LEU 7 HB1 LEU 7 0.394 -1.885 1.402
48 HG LEU 7 HG LEU 7 3.213 -2.876 1.837
49 HD11 LEU 7 HD11 LEU 7 3.775 -0.509 2.150
50 HD12 LEU 7 HD12 LEU 7 2.138 -0.065 1.663
51 HD13 LEU 7 HD13 LEU 7 3.224 -0.839 0.508
52 HD21 LEU 7 HD21 LEU 7 1.807 -3.123 3.795
53 HD22 LEU 7 HD22 LEU 7 1.251 -1.459 3.634
54 HD23 LEU 7 HD23 LEU 7 2.935 -1.789 4.033
55 H LYS 8 HN LYS 8 0.503 -4.489 -1.070
56 HA LYS 8 HA LYS 8 -2.181 -3.840 -1.530
57 HB2 LYS 8 HB2 LYS 8 -0.570 -4.014 -3.344
58 HB3 LYS 8 HB1 LYS 8 -0.363 -5.731 -3.034
59 HG2 LYS 8 HG2 LYS 8 -2.680 -6.132 -3.683
60 HG3 LYS 8 HG1 LYS 8 -2.895 -4.407 -3.989
61 HD2 LYS 8 HD2 LYS 8 -1.169 -4.497 -5.716
62 HD3 LYS 8 HD1 LYS 8 -0.935 -6.217 -5.400
63 HE2 LYS 8 HE2 LYS 8 -3.519 -4.968 -6.330
64 HE3 LYS 8 HE1 LYS 8 -2.353 -5.769 -7.380
65 HZ1 LYS 8 HZ1 LYS 8 -4.146 -7.253 -6.782
66 HZ2 LYS 8 HZ2 LYS 8 -3.825 -7.041 -5.137
67 HZ3 LYS 8 HZ3 LYS 8 -2.692 -7.810 -6.128
68 H AIB 9 HN AIB 9 -0.641 -6.965 -0.957
69 HB11 AIB 9 HB11 AIB 9 -1.561 -10.259 0.010
70 HB12 AIB 9 HB12 AIB 9 -0.426 -9.014 0.520
71 HB13 AIB 9 HB13 AIB 9 -0.601 -9.401 -1.191
72 HB21 AIB 9 HB21 AIB 9 -4.002 -8.043 -1.517
73 HB22 AIB 9 HB22 AIB 9 -3.662 -9.698 -1.012
74 HB23 AIB 9 HB23 AIB 9 -2.736 -8.967 -2.322
75 H ARG 10 HN ARG 10 -1.383 -6.810 1.518
76 HA ARG 10 HA ARG 10 -2.849 -7.893 3.671
77 HB2 ARG 10 HB2 ARG 10 -0.696 -6.684 3.878
78 HB3 ARG 10 HB1 ARG 10 -1.512 -5.192 3.444
79 HG2 ARG 10 HG2 ARG 10 -2.845 -5.292 5.451
80 HG3 ARG 10 HG1 ARG 10 -2.135 -6.851 5.877
81 HD2 ARG 10 HD2 ARG 10 -0.678 -4.220 5.632
82 HD3 ARG 10 HD1 ARG 10 -1.061 -5.065 7.131
83 HE ARG 10 HE ARG 10 0.383 -6.899 5.772
84 HH11 ARG 10 HH11 ARG 10 2.698 -3.714 6.576
85 HH12 ARG 10 HH12 ARG 10 0.971 -3.538 6.555
86 HH21 ARG 10 HH21 ARG 10 2.645 -7.137 5.808
87 HH22 ARG 10 HH22 ARG 10 3.648 -5.764 6.157
88 H TYR 11 HN TYR 11 -3.268 -4.937 1.771
89 HA TYR 11 HA TYR 11 -5.758 -4.342 3.145
90 HB2 TYR 11 HB2 TYR 11 -4.161 -2.863 1.052
91 HB3 TYR 11 HB1 TYR 11 -5.713 -2.299 1.661
92 HD1 TYR 11 HD1 TYR 11 -5.944 -1.598 4.008
93 HD2 TYR 11 HD2 TYR 11 -2.167 -2.682 2.384
94 HE1 TYR 11 HE1 TYR 11 -4.828 -0.561 5.930
95 HE2 TYR 11 HE2 TYR 11 -1.038 -1.646 4.304
96 HH TYR 11 HH TYR 11 -2.730 -0.694 7.128
97 H AIB 12 HN AIB 12 -6.367 -6.527 2.208
98 HB11 AIB 12 HB11 AIB 12 -6.988 -8.724 1.366
99 HB12 AIB 12 HB12 AIB 12 -8.410 -8.758 0.324
100 HB13 AIB 12 HB13 AIB 12 -8.485 -7.954 1.892
101 HB21 AIB 12 HB21 AIB 12 -5.718 -7.801 -0.489
102 HB22 AIB 12 HB22 AIB 12 -6.255 -6.334 -1.306
103 HB23 AIB 12 HB23 AIB 12 -7.168 -7.831 -1.491
104 H GLY 13 HN GLY 13 -8.760 -5.148 1.716
105 HA2 GLY 13 HA2 GLY 13 -10.815 -4.928 -0.388
106 HA3 GLY 13 HA1 GLY 13 -11.121 -4.718 1.326
107 H CYS 14 HN CYS 14 -8.224 -3.291 0.147
108 HA CYS 14 HA CYS 14 -9.546 -0.711 -0.247
109 HB2 CYS 14 HB2 CYS 14 -7.259 -1.062 1.693
110 HB3 CYS 14 HB1 CYS 14 -8.116 0.428 1.339
111 H GLU 15 HN GLU 15 -8.275 0.820 -1.372
112 HA GLU 15 HA GLU 15 -6.210 -0.322 -3.046
113 HB2 GLU 15 HB2 GLU 15 -7.350 2.477 -2.885
114 HB3 GLU 15 HB1 GLU 15 -6.173 1.950 -4.079
115 HG2 GLU 15 HG2 GLU 15 -7.771 0.354 -4.970
116 HG3 GLU 15 HG1 GLU 15 -8.949 0.841 -3.754
117 HN1 MVA 16 HM1 MEV 16 -4.575 0.614 -4.226
118 HN2 MVA 16 HM2 MEV 16 -4.161 -0.881 -3.387
119 HN3 MVA 16 HM3 MEV 16 -2.894 0.261 -3.835
120 HA MVA 16 HA MEV 16 -3.170 2.178 -0.861
121 HB MVA 16 HB MEV 16 -3.122 0.101 0.313
122 HG11 MVA 16 HG11 MEV 16 -1.716 -1.790 -0.375
123 HG12 MVA 16 HG12 MEV 16 -1.417 -0.984 -1.915
124 HG13 MVA 16 HG13 MEV 16 -3.051 -1.493 -1.488
125 HG21 MVA 16 HG21 MEV 16 -1.295 1.680 0.712
126 HG22 MVA 16 HG22 MEV 16 -0.319 0.846 -0.498
127 HG23 MVA 16 HG23 MEV 16 -0.795 0.010 0.983
128 H ARG 17 HN ARG 17 -2.069 3.655 -1.802
129 HA ARG 17 HA ARG 17 -0.402 3.136 -4.102
130 HB2 ARG 17 HB2 ARG 17 -0.516 5.695 -2.514
131 HB3 ARG 17 HB1 ARG 17 -0.064 5.488 -4.198
132 HG2 ARG 17 HG2 ARG 17 -2.809 5.206 -3.010
133 HG3 ARG 17 HG1 ARG 17 -2.233 6.491 -4.072
134 HD2 ARG 17 HD2 ARG 17 -1.998 4.939 -5.903
135 HD3 ARG 17 HD1 ARG 17 -2.374 3.579 -4.847
136 HE ARG 17 HE ARG 17 -4.427 5.614 -5.026
137 HH11 ARG 17 HH11 ARG 17 -4.753 2.090 -6.926
138 HH12 ARG 17 HH12 ARG 17 -3.207 2.595 -6.315
139 HH21 ARG 17 HH21 ARG 17 -6.441 4.966 -5.829
140 HH22 ARG 17 HH22 ARG 17 -6.603 3.438 -6.641
141 H CYS 18 HN CYS 18 1.584 2.388 -3.892
142 HA CYS 18 HA CYS 18 2.821 2.475 -1.254
143 HB2 CYS 18 HB2 CYS 18 4.347 0.732 -2.316
144 HB3 CYS 18 HB1 CYS 18 2.659 0.275 -2.098
145 H ASP 19 HN ASP 19 4.613 3.535 -0.809
146 HA ASP 19 HA ASP 19 6.386 4.380 -2.980
147 HB2 ASP 19 HB2 ASP 19 4.933 6.310 -2.267
148 HB3 ASP 19 HB1 ASP 19 5.634 6.171 -0.659
149 HA DPR 20 HA DPR 20 9.645 2.848 -0.354
150 HB2 DPR 20 HB2 DPR 20 10.307 0.885 -1.293
151 HB3 DPR 20 HB1 DPR 20 8.727 0.133 -1.054
152 HG2 DPR 20 HG2 DPR 20 9.668 1.895 -3.276
153 HG3 DPR 20 HG1 DPR 20 8.643 0.450 -3.344
154 HD2 DPR 20 HD2 DPR 20 7.621 2.928 -3.512
155 HD3 DPR 20 HD1 DPR 20 6.749 1.613 -2.701
156 HA PRO 21 HA PRO 21 7.975 0.832 3.293
157 HB2 PRO 21 HB2 PRO 21 8.898 2.592 5.092
158 HB3 PRO 21 HB1 PRO 21 9.974 1.458 4.269
159 HG2 PRO 21 HG2 PRO 21 9.472 4.348 3.690
160 HG3 PRO 21 HG1 PRO 21 11.009 3.468 3.727
161 HD2 PRO 21 HD2 PRO 21 9.659 4.056 1.424
162 HD3 PRO 21 HD1 PRO 21 10.737 2.659 1.600
163 H ARG 22 HN ARG 22 7.072 3.782 1.900
164 HA ARG 22 HA ARG 22 5.065 4.312 3.991
165 HB2 ARG 22 HB2 ARG 22 5.944 6.101 1.715
166 HB3 ARG 22 HB1 ARG 22 4.863 6.541 3.029
167 HG2 ARG 22 HG2 ARG 22 7.778 5.841 3.288
168 HG3 ARG 22 HG1 ARG 22 7.080 7.458 3.378
169 HD2 ARG 22 HD2 ARG 22 5.858 6.857 5.382
170 HD3 ARG 22 HD1 ARG 22 6.426 5.192 5.262
171 HE ARG 22 HE ARG 22 8.671 6.845 5.363
172 HH11 ARG 22 HH11 ARG 22 5.990 5.945 7.432
173 HH12 ARG 22 HH12 ARG 22 6.884 6.183 8.899
174 HH21 ARG 22 HH21 ARG 22 9.070 6.860 8.822
175 HH22 ARG 22 HH22 ARG 22 9.843 7.152 7.294
176 H TYR 23 HN TYR 23 2.874 4.829 3.273
177 HA TYR 23 HA TYR 23 2.094 4.132 0.606
178 HB2 TYR 23 HB2 TYR 23 0.787 2.158 1.172
179 HB3 TYR 23 HB1 TYR 23 2.484 1.903 1.552
180 HD1 TYR 23 HD1 TYR 23 -0.875 2.189 2.879
181 HD2 TYR 23 HD2 TYR 23 3.234 1.854 3.906
182 HE1 TYR 23 HE1 TYR 23 -1.508 1.566 5.166
183 HE2 TYR 23 HE2 TYR 23 2.615 1.226 6.202
184 HH TYR 23 HH TYR 23 -0.581 0.370 7.056
185 H GLU 24 HN GLU 24 -0.065 4.575 0.164
186 HA GLU 24 HA GLU 24 -1.559 5.904 2.328
187 HB2 GLU 24 HB2 GLU 24 -1.493 6.623 -0.609
188 HB3 GLU 24 HB1 GLU 24 -2.504 7.399 0.597
189 HG2 GLU 24 HG2 GLU 24 0.503 7.398 0.583
190 HG3 GLU 24 HG1 GLU 24 -0.523 8.724 0.041
191 HN1 MVA 25 HM1 MEV 25 -4.575 5.286 3.585
192 HN2 MVA 25 HM2 MEV 25 -3.313 6.318 2.921
193 HN3 MVA 25 HM3 MEV 25 -2.882 4.845 3.788
194 HA MVA 25 HA MEV 25 -4.559 3.120 0.612
195 HB MVA 25 HB MEV 25 -5.524 1.683 2.154
196 HG11 MVA 25 HG11 MEV 25 -3.708 1.045 3.666
197 HG12 MVA 25 HG12 MEV 25 -2.912 2.582 3.329
198 HG13 MVA 25 HG13 MEV 25 -3.146 1.409 2.034
199 HG21 MVA 25 HG21 MEV 25 -5.840 2.046 4.499
200 HG22 MVA 25 HG22 MEV 25 -6.551 3.400 3.619
201 HG23 MVA 25 HG23 MEV 25 -4.994 3.590 4.425
202 H HIS 26 HN HIS 26 -6.624 2.978 0.025
203 HA HIS 26 HA HIS 26 -8.545 4.873 1.159
204 HB2 HIS 26 HB2 HIS 26 -7.883 4.564 -1.763
205 HB3 HIS 26 HB1 HIS 26 -9.384 5.284 -1.202
206 HD1 HIS 26 HD1 HIS 26 -9.277 7.662 -0.257
207 HD2 HIS 26 HD2 HIS 26 -5.570 6.132 -1.353
208 HE1 HIS 26 HE1 HIS 26 -7.706 9.621 -0.236
209 HE2 HIS 26 HE2 HIS 26 -5.518 8.705 -1.075
210 H CYS 27 HN CYS 27 -9.989 3.544 2.006
211 HA CYS 27 HA CYS 27 -10.601 1.006 0.750
212 HB2 CYS 27 HB2 CYS 27 -11.644 2.238 3.307
213 HB3 CYS 27 HB1 CYS 27 -11.947 0.590 2.769
214 HN1 NH2 28 HN1 NH2 28 -12.445 3.817 1.884
215 HN2 NH2 28 HN2 NH2 28 -13.731 3.653 0.742