Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608973 | 5kk9 RC | 30123 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 HA1 ACE 0 4.156 0.797 13.142
2 H2 ACE 0 HA2 ACE 0 3.537 2.071 14.191
3 H3 ACE 0 HA3 ACE 0 5.220 2.133 13.676
4 H MET 1 HN MET 1 5.699 3.305 11.962
5 HA MET 1 HA MET 1 3.509 4.451 10.415
6 HB2 MET 1 HB2 MET 1 5.387 5.885 9.456
7 HB3 MET 1 HB1 MET 1 5.020 6.102 11.163
8 HG2 MET 1 HG1 MET 1 6.920 4.665 11.740
9 HG3 MET 1 HG2 MET 1 7.293 4.489 10.027
10 HE1 MET 1 HE1 MET 1 9.421 5.466 12.193
11 HE2 MET 1 HE2 MET 1 10.194 6.787 11.316
12 HE3 MET 1 HE3 MET 1 9.785 5.291 10.476
13 H ASN 2 HN ASN 2 2.884 2.853 8.991
14 HA ASN 2 HA ASN 2 4.934 1.697 7.253
15 HB2 ASN 2 HB2 ASN 2 3.181 0.236 8.342
16 HB3 ASN 2 HB1 ASN 2 1.993 1.015 7.304
17 HD21 ASN 2 HD21 ASN 2 3.588 1.206 4.949
18 HD22 ASN 2 HD22 ASN 2 3.825 -0.391 4.345
19 H TRP 3 HN TRP 3 5.315 2.486 5.348
20 HA TRP 3 HA TRP 3 3.273 3.404 3.593
21 HB2 TRP 3 HB1 TRP 3 4.264 5.697 3.294
22 HB3 TRP 3 HB2 TRP 3 3.364 5.449 4.784
23 HD1 TRP 3 HD1 TRP 3 4.903 5.140 7.051
24 HE1 TRP 3 HE1 TRP 3 7.152 6.236 7.648
25 HE3 TRP 3 HE3 TRP 3 6.387 6.422 2.377
26 HZ2 TRP 3 HZ2 TRP 3 9.283 7.488 6.283
27 HZ3 TRP 3 HZ3 TRP 3 8.553 7.569 2.081
28 HH2 TRP 3 HH2 TRP 3 9.974 8.086 4.001
29 H THR 4 HN THR 4 6.707 4.154 4.034
30 HA THR 4 HA THR 4 8.286 4.268 2.328
31 HB THR 4 HB THR 4 7.899 1.283 2.524
32 HG1 THR 4 HG1 THR 4 8.709 3.152 4.469
33 HG21 THR 4 HG21 THR 4 10.356 1.267 2.441
34 HG22 THR 4 HG22 THR 4 10.360 3.026 2.313
35 HG23 THR 4 HG23 THR 4 9.668 2.048 1.018
36 H GLY 5 HN GLY 5 5.862 4.701 1.041
37 HA2 GLY 5 HA2 GLY 5 6.442 3.701 -1.583
38 HA3 GLY 5 HA1 GLY 5 5.002 2.971 -0.886
39 H LEU 6 HN LEU 6 5.663 6.197 0.072
40 HA LEU 6 HA LEU 6 3.476 7.134 -1.660
41 HB2 LEU 6 HB1 LEU 6 3.414 9.047 0.014
42 HB3 LEU 6 HB2 LEU 6 2.861 7.478 0.564
43 HG LEU 6 HG LEU 6 5.257 7.190 1.477
44 HD11 LEU 6 HD11 LEU 6 6.361 9.287 2.106
45 HD12 LEU 6 HD12 LEU 6 5.172 10.184 1.159
46 HD13 LEU 6 HD13 LEU 6 6.283 9.075 0.356
47 HD21 LEU 6 HD21 LEU 6 3.406 9.199 2.738
48 HD22 LEU 6 HD22 LEU 6 4.665 8.276 3.561
49 HD23 LEU 6 HD23 LEU 6 3.271 7.445 2.869
50 H TYR 7 HN TYR 7 6.484 6.978 -2.184
51 HA TYR 7 HA TYR 7 6.708 9.680 -3.230
52 HB2 TYR 7 HB2 TYR 7 9.124 9.732 -2.570
53 HB3 TYR 7 HB1 TYR 7 7.989 9.784 -1.225
54 HD1 TYR 7 HD1 TYR 7 7.252 7.186 -0.614
55 HD2 TYR 7 HD2 TYR 7 11.028 8.508 -2.036
56 HE1 TYR 7 HE1 TYR 7 8.281 5.234 0.365
57 HE2 TYR 7 HE2 TYR 7 12.099 6.531 -1.029
58 HH TYR 7 HH TYR 7 11.647 4.905 0.764
59 H THR 8 HN THR 8 8.312 6.490 -3.256
60 HA THR 8 HA THR 8 8.906 6.937 -6.112
61 HB THR 8 HB THR 8 10.704 5.257 -5.856
62 HG1 THR 8 HG1 THR 8 9.576 4.391 -3.860
63 HG21 THR 8 HG21 THR 8 10.814 7.641 -4.008
64 HG22 THR 8 HG22 THR 8 11.344 7.565 -5.688
65 HG23 THR 8 HG23 THR 8 12.217 6.668 -4.446
66 H LEU 9 HN LEU 9 6.503 5.670 -4.661
67 HA LEU 9 HA LEU 9 6.385 3.345 -6.408
68 HB2 LEU 9 HB1 LEU 9 5.789 3.266 -3.468
69 HB3 LEU 9 HB2 LEU 9 5.382 1.984 -4.593
70 HG LEU 9 HG LEU 9 8.201 2.944 -4.109
71 HD11 LEU 9 HD21 LEU 9 6.778 0.575 -2.920
72 HD12 LEU 9 HD22 LEU 9 7.274 2.029 -2.055
73 HD13 LEU 9 HD23 LEU 9 8.491 0.954 -2.742
74 HD21 LEU 9 HD11 LEU 9 7.875 1.860 -6.254
75 HD22 LEU 9 HD12 LEU 9 7.097 0.488 -5.464
76 HD23 LEU 9 HD13 LEU 9 8.805 0.820 -5.175
77 H LEU 10 HN LEU 10 4.551 5.060 -3.974
78 HA LEU 10 HA LEU 10 2.302 5.479 -3.782
79 HB2 LEU 10 HB2 LEU 10 2.944 6.522 -6.533
80 HB3 LEU 10 HB1 LEU 10 1.506 6.943 -5.621
81 HG LEU 10 HG LEU 10 3.025 7.841 -3.822
82 HD11 LEU 10 HD21 LEU 10 5.093 6.843 -4.164
83 HD12 LEU 10 HD22 LEU 10 5.331 8.490 -4.754
84 HD13 LEU 10 HD23 LEU 10 5.072 7.173 -5.898
85 HD21 LEU 10 HD11 LEU 10 3.217 9.113 -6.550
86 HD22 LEU 10 HD12 LEU 10 3.496 9.927 -5.010
87 HD23 LEU 10 HD13 LEU 10 1.891 9.310 -5.403
88 H SER 11 HN SER 11 2.101 5.008 -7.269
89 HA SER 11 HA SER 11 -0.231 3.396 -7.021
90 HB2 SER 11 HB2 SER 11 1.537 3.915 -9.424
91 HB3 SER 11 HB1 SER 11 -0.056 3.160 -9.479
92 HG SER 11 HG SER 11 -0.468 5.254 -9.864
93 H ARG 12 HN ARG 12 2.802 2.594 -6.278
94 HA ARG 12 HA ARG 12 2.607 -0.147 -7.328
95 HB2 ARG 12 HB1 ARG 12 5.046 1.219 -6.183
96 HB3 ARG 12 HB2 ARG 12 4.995 -0.337 -6.997
97 HG2 ARG 12 HG2 ARG 12 4.459 0.719 -9.090
98 HG3 ARG 12 HG1 ARG 12 4.338 2.294 -8.302
99 HD2 ARG 12 HD1 ARG 12 6.475 2.086 -9.430
100 HD3 ARG 12 HD2 ARG 12 6.712 2.154 -7.683
101 HE ARG 12 HE ARG 12 6.560 -0.530 -8.410
102 HH11 ARG 12 HH11 ARG 12 10.071 1.253 -9.136
103 HH12 ARG 12 HH12 ARG 12 8.642 2.213 -8.946
104 HH21 ARG 12 HH21 ARG 12 9.954 -1.028 -8.972
105 HH22 ARG 12 HH22 ARG 12 8.436 -1.800 -8.658
106 H VAL 13 HN VAL 13 1.502 1.327 -4.830
107 HA VAL 13 HA VAL 13 2.458 -0.613 -2.835
108 HB VAL 13 HB VAL 13 1.048 1.930 -2.108
109 HG11 VAL 13 HG11 VAL 13 1.299 0.382 -0.322
110 HG12 VAL 13 HG12 VAL 13 2.483 1.668 -0.074
111 HG13 VAL 13 HG13 VAL 13 2.995 0.108 -0.719
112 HG21 VAL 13 HG21 VAL 13 3.280 2.987 -1.838
113 HG22 VAL 13 HG22 VAL 13 2.834 2.687 -3.518
114 HG23 VAL 13 HG23 VAL 13 3.984 1.624 -2.707
115 H ASN 14 HN ASN 14 0.935 -2.178 -3.564
116 HA ASN 14 HA ASN 14 -1.793 -1.846 -3.873
117 HB2 ASN 14 HB2 ASN 14 -0.214 -4.219 -2.876
118 HB3 ASN 14 HB1 ASN 14 -1.944 -4.290 -3.194
119 HD21 ASN 14 HD21 ASN 14 0.282 -2.373 -5.087
120 HD22 ASN 14 HD22 ASN 14 0.171 -3.320 -6.527
121 H ARG 15 HN ARG 15 -2.992 -0.727 -2.459
122 HA ARG 15 HA ARG 15 -2.595 -0.590 0.307
123 HB2 ARG 15 HB2 ARG 15 -5.148 -0.148 -1.253
124 HB3 ARG 15 HB1 ARG 15 -4.859 0.378 0.400
125 HG2 ARG 15 HG2 ARG 15 -3.305 1.304 -2.008
126 HG3 ARG 15 HG1 ARG 15 -4.617 2.195 -1.233
127 HD2 ARG 15 HD2 ARG 15 -3.333 2.286 0.844
128 HD3 ARG 15 HD1 ARG 15 -2.024 1.386 0.078
129 HE ARG 15 HE ARG 15 -2.573 3.682 -1.443
130 HH11 ARG 15 HH11 ARG 15 -1.219 2.761 1.633
131 HH12 ARG 15 HH12 ARG 15 -0.172 4.137 1.729
132 HH21 ARG 15 HH21 ARG 15 -1.197 5.496 -1.325
133 HH22 ARG 15 HH22 ARG 15 -0.160 5.692 0.048
134 H HIS 16 HN HIS 16 -2.693 -2.237 1.678
135 HA HIS 16 HA HIS 16 -3.377 -4.103 2.779
136 HB2 HIS 16 HB1 HIS 16 -6.061 -3.346 1.604
137 HB3 HIS 16 HB2 HIS 16 -5.814 -4.513 2.900
138 HD1 HIS 16 HD1 HIS 16 -6.234 -0.929 2.256
139 HD2 HIS 16 HD2 HIS 16 -4.855 -3.327 5.357
140 HE1 HIS 16 HE1 HIS 16 -6.199 0.553 4.287
141 HE2 HIS 16 HE2 HIS 16 -5.362 -0.919 6.153
142 H SER 17 HN SER 17 -5.012 -6.169 2.311
143 HA SER 17 HA SER 17 -3.771 -7.428 0.013
144 HB2 SER 17 HB2 SER 17 -5.631 -8.555 2.120
145 HB3 SER 17 HB1 SER 17 -4.800 -9.500 0.885
146 HG SER 17 HG SER 17 -3.162 -9.543 2.179
147 H THR 18 HN THR 18 -5.463 -9.183 -0.984
148 HA THR 18 HA THR 18 -7.122 -7.686 -2.693
149 HB THR 18 HB THR 18 -7.239 -10.658 -2.140
150 HG1 THR 18 HG1 THR 18 -5.454 -9.064 -3.515
151 HG21 THR 18 HG21 THR 18 -8.187 -9.043 -4.511
152 HG22 THR 18 HG22 THR 18 -9.215 -9.843 -3.322
153 HG23 THR 18 HG23 THR 18 -8.198 -10.803 -4.397
154 H ALA 19 HN ALA 19 -9.286 -7.280 -2.715
155 HA ALA 19 HA ALA 19 -10.676 -7.173 -0.270
156 HB1 ALA 19 HB1 ALA 19 -12.585 -6.430 -1.587
157 HB2 ALA 19 HB2 ALA 19 -11.785 -6.958 -3.067
158 HB3 ALA 19 HB3 ALA 19 -11.106 -5.632 -2.123
159 H ILE 20 HN ILE 20 -12.602 -8.261 0.374
160 HA ILE 20 HA ILE 20 -13.204 -10.789 -0.965
161 HB ILE 20 HB ILE 20 -11.537 -11.385 0.716
162 HG12 ILE 20 HG12 ILE 20 -14.309 -12.236 1.587
163 HG13 ILE 20 HG11 ILE 20 -13.433 -12.925 0.224
164 HG21 ILE 20 HG21 ILE 20 -11.976 -11.059 3.102
165 HG22 ILE 20 HG22 ILE 20 -13.443 -10.162 2.708
166 HG23 ILE 20 HG23 ILE 20 -11.866 -9.521 2.246
167 HD11 ILE 20 HD11 ILE 20 -13.279 -14.354 2.171
168 HD12 ILE 20 HD12 ILE 20 -12.583 -13.032 3.107
169 HD13 ILE 20 HD13 ILE 20 -11.693 -13.711 1.745
170 H GLY 21 HN GLY 21 -15.302 -11.497 -0.697
171 HA2 GLY 21 HA1 GLY 21 -17.268 -9.579 -0.115
172 HA3 GLY 21 HA2 GLY 21 -17.555 -11.302 -0.306
173 H ARG 22 HN ARG 22 -16.334 -12.462 1.763
174 HA ARG 22 HA ARG 22 -16.873 -11.079 4.234
175 HB2 ARG 22 HB1 ARG 22 -19.128 -11.823 3.589
176 HB3 ARG 22 HB2 ARG 22 -18.547 -13.478 3.469
177 HG2 ARG 22 HG1 ARG 22 -18.036 -13.478 5.856
178 HG3 ARG 22 HG2 ARG 22 -18.615 -11.815 5.978
179 HD2 ARG 22 HD1 ARG 22 -20.323 -13.386 6.717
180 HD3 ARG 22 HD2 ARG 22 -20.838 -12.531 5.263
181 HE ARG 22 HE ARG 22 -19.627 -14.922 4.480
182 HH11 ARG 22 HH11 ARG 22 -23.418 -15.211 5.737
183 HH12 ARG 22 HH12 ARG 22 -22.464 -13.838 6.190
184 HH21 ARG 22 HH21 ARG 22 -20.876 -16.732 3.880
185 HH22 ARG 22 HH22 ARG 22 -22.516 -16.855 4.424
Start of MODEL 2
1 H1 ACE 0 HA1 ACE 0 3.152 -1.989 11.339
2 H2 ACE 0 HA2 ACE 0 1.764 -1.290 12.168
3 H3 ACE 0 HA3 ACE 0 3.381 -0.729 12.590
4 H MET 1 HN MET 1 4.369 -0.662 9.907
5 HA MET 1 HA MET 1 2.668 1.240 8.514
6 HB2 MET 1 HB1 MET 1 4.493 2.927 8.376
7 HB3 MET 1 HB2 MET 1 3.855 2.718 10.000
8 HG2 MET 1 HG2 MET 1 6.354 1.366 9.023
9 HG3 MET 1 HG1 MET 1 6.346 2.937 9.818
10 HE1 MET 1 HE1 MET 1 8.050 2.037 11.636
11 HE2 MET 1 HE2 MET 1 8.066 0.455 10.858
12 HE3 MET 1 HE3 MET 1 7.783 0.581 12.593
13 H ASN 2 HN ASN 2 2.752 0.840 6.407
14 HA ASN 2 HA ASN 2 5.219 -0.324 5.298
15 HB2 ASN 2 HB1 ASN 2 3.315 -1.983 5.541
16 HB3 ASN 2 HB2 ASN 2 2.440 -1.031 4.345
17 HD21 ASN 2 HD21 ASN 2 4.365 -2.102 1.604
18 HD22 ASN 2 HD22 ASN 2 3.325 -0.863 2.213
19 H TRP 3 HN TRP 3 3.481 2.375 5.350
20 HA TRP 3 HA TRP 3 2.749 3.077 2.804
21 HB2 TRP 3 HB1 TRP 3 3.345 5.403 3.374
22 HB3 TRP 3 HB2 TRP 3 2.433 4.606 4.661
23 HD1 TRP 3 HD1 TRP 3 3.688 4.176 6.937
24 HE1 TRP 3 HE1 TRP 3 5.868 5.114 7.938
25 HE3 TRP 3 HE3 TRP 3 5.728 6.072 2.695
26 HZ2 TRP 3 HZ2 TRP 3 8.156 6.482 7.009
27 HZ3 TRP 3 HZ3 TRP 3 7.925 7.176 2.815
28 HH2 TRP 3 HH2 TRP 3 9.119 7.372 4.937
29 H THR 4 HN THR 4 5.905 2.508 4.055
30 HA THR 4 HA THR 4 7.683 3.902 2.685
31 HB THR 4 HB THR 4 7.791 0.880 2.704
32 HG1 THR 4 HG1 THR 4 8.215 2.819 4.703
33 HG21 THR 4 HG21 THR 4 10.220 1.211 2.738
34 HG22 THR 4 HG22 THR 4 9.985 2.956 2.643
35 HG23 THR 4 HG23 THR 4 9.499 1.925 1.296
36 H GLY 5 HN GLY 5 6.878 4.759 0.784
37 HA2 GLY 5 HA1 GLY 5 7.566 4.127 -1.628
38 HA3 GLY 5 HA2 GLY 5 6.319 2.903 -1.416
39 H LEU 6 HN LEU 6 5.430 5.579 0.331
40 HA LEU 6 HA LEU 6 3.360 6.244 -1.545
41 HB2 LEU 6 HB2 LEU 6 2.313 7.292 0.183
42 HB3 LEU 6 HB1 LEU 6 3.279 6.114 1.038
43 HG LEU 6 HG LEU 6 3.578 9.093 0.954
44 HD11 LEU 6 HD21 LEU 6 3.648 8.895 3.313
45 HD12 LEU 6 HD22 LEU 6 3.896 7.151 3.229
46 HD13 LEU 6 HD23 LEU 6 2.343 7.846 2.758
47 HD21 LEU 6 HD11 LEU 6 5.789 7.122 1.201
48 HD22 LEU 6 HD12 LEU 6 5.798 8.530 2.261
49 HD23 LEU 6 HD13 LEU 6 5.791 8.745 0.510
50 H TYR 7 HN TYR 7 6.290 6.945 -1.962
51 HA TYR 7 HA TYR 7 5.835 9.735 -2.704
52 HB2 TYR 7 HB1 TYR 7 8.325 10.070 -2.314
53 HB3 TYR 7 HB2 TYR 7 7.320 9.882 -0.880
54 HD1 TYR 7 HD1 TYR 7 6.988 7.236 -0.292
55 HD2 TYR 7 HD2 TYR 7 10.370 8.995 -2.180
56 HE1 TYR 7 HE1 TYR 7 8.346 5.383 0.445
57 HE2 TYR 7 HE2 TYR 7 11.769 7.115 -1.423
58 HH TYR 7 HH TYR 7 11.750 5.402 0.344
59 H THR 8 HN THR 8 7.306 6.661 -3.497
60 HA THR 8 HA THR 8 7.486 7.515 -6.284
61 HB THR 8 HB THR 8 9.729 6.545 -6.567
62 HG1 THR 8 HG1 THR 8 9.320 5.361 -4.357
63 HG21 THR 8 HG21 THR 8 11.007 8.317 -5.472
64 HG22 THR 8 HG22 THR 8 9.636 8.671 -4.421
65 HG23 THR 8 HG23 THR 8 9.513 8.956 -6.157
66 H LEU 9 HN LEU 9 6.135 5.467 -4.323
67 HA LEU 9 HA LEU 9 6.116 3.311 -6.286
68 HB2 LEU 9 HB2 LEU 9 6.626 2.849 -3.354
69 HB3 LEU 9 HB1 LEU 9 6.319 1.591 -4.533
70 HG LEU 9 HG LEU 9 8.676 3.473 -4.652
71 HD11 LEU 9 HD21 LEU 9 8.814 2.091 -2.663
72 HD12 LEU 9 HD22 LEU 9 9.997 1.571 -3.865
73 HD13 LEU 9 HD23 LEU 9 8.513 0.647 -3.629
74 HD21 LEU 9 HD11 LEU 9 9.552 1.834 -6.252
75 HD22 LEU 9 HD12 LEU 9 8.048 2.564 -6.812
76 HD23 LEU 9 HD13 LEU 9 8.039 0.933 -6.144
77 H LEU 10 HN LEU 10 4.374 5.472 -4.903
78 HA LEU 10 HA LEU 10 2.304 4.561 -3.451
79 HB2 LEU 10 HB1 LEU 10 2.117 6.350 -5.873
80 HB3 LEU 10 HB2 LEU 10 0.853 6.167 -4.674
81 HG LEU 10 HG LEU 10 2.520 7.007 -2.960
82 HD11 LEU 10 HD21 LEU 10 4.133 7.271 -5.436
83 HD12 LEU 10 HD22 LEU 10 4.639 6.884 -3.786
84 HD13 LEU 10 HD23 LEU 10 4.253 8.549 -4.228
85 HD21 LEU 10 HD11 LEU 10 2.192 9.351 -3.582
86 HD22 LEU 10 HD12 LEU 10 0.727 8.401 -3.829
87 HD23 LEU 10 HD13 LEU 10 1.728 8.850 -5.209
88 H SER 11 HN SER 11 1.947 4.707 -6.990
89 HA SER 11 HA SER 11 -0.183 2.837 -7.025
90 HB2 SER 11 HB2 SER 11 1.612 3.759 -9.287
91 HB3 SER 11 HB1 SER 11 0.089 2.891 -9.480
92 HG SER 11 HG SER 11 -1.011 4.644 -8.906
93 H ARG 12 HN ARG 12 3.101 2.442 -6.612
94 HA ARG 12 HA ARG 12 3.164 -0.252 -7.758
95 HB2 ARG 12 HB1 ARG 12 5.373 1.463 -6.604
96 HB3 ARG 12 HB2 ARG 12 5.598 -0.130 -7.317
97 HG2 ARG 12 HG1 ARG 12 4.957 0.670 -9.474
98 HG3 ARG 12 HG2 ARG 12 4.471 2.229 -8.806
99 HD2 ARG 12 HD2 ARG 12 6.792 2.666 -8.150
100 HD3 ARG 12 HD1 ARG 12 7.273 1.112 -8.832
101 HE ARG 12 HE ARG 12 5.999 2.504 -10.857
102 HH11 ARG 12 HH11 ARG 12 9.713 3.772 -10.060
103 HH12 ARG 12 HH12 ARG 12 8.831 2.885 -8.863
104 HH21 ARG 12 HH21 ARG 12 7.152 3.673 -12.439
105 HH22 ARG 12 HH22 ARG 12 8.758 4.221 -12.093
106 H VAL 13 HN VAL 13 1.993 0.919 -5.101
107 HA VAL 13 HA VAL 13 2.751 -1.375 -3.474
108 HB VAL 13 HB VAL 13 2.910 1.486 -2.516
109 HG11 VAL 13 HG11 VAL 13 1.819 0.110 -0.837
110 HG12 VAL 13 HG12 VAL 13 3.440 0.566 -0.315
111 HG13 VAL 13 HG13 VAL 13 3.133 -1.062 -0.923
112 HG21 VAL 13 HG21 VAL 13 4.888 0.669 -3.718
113 HG22 VAL 13 HG22 VAL 13 5.000 -0.687 -2.596
114 HG23 VAL 13 HG23 VAL 13 5.227 0.961 -2.013
115 H ASN 14 HN ASN 14 0.770 -2.297 -3.478
116 HA ASN 14 HA ASN 14 -1.704 -1.121 -3.567
117 HB2 ASN 14 HB1 ASN 14 -2.419 -3.226 -2.177
118 HB3 ASN 14 HB2 ASN 14 -1.785 -3.418 -3.808
119 HD21 ASN 14 HD21 ASN 14 1.101 -4.087 -1.035
120 HD22 ASN 14 HD22 ASN 14 0.276 -2.574 -1.132
121 H ARG 15 HN ARG 15 -2.026 0.682 -2.353
122 HA ARG 15 HA ARG 15 -1.279 1.094 0.293
123 HB2 ARG 15 HB2 ARG 15 -2.047 2.872 -1.249
124 HB3 ARG 15 HB1 ARG 15 -3.686 2.245 -1.132
125 HG2 ARG 15 HG2 ARG 15 -3.481 4.154 0.296
126 HG3 ARG 15 HG1 ARG 15 -3.641 2.711 1.301
127 HD2 ARG 15 HD1 ARG 15 -1.227 2.679 1.652
128 HD3 ARG 15 HD2 ARG 15 -1.052 4.102 0.628
129 HE ARG 15 HE ARG 15 -2.850 4.595 2.769
130 HH11 ARG 15 HH11 ARG 15 0.537 4.296 2.010
131 HH12 ARG 15 HH12 ARG 15 1.050 5.322 3.306
132 HH21 ARG 15 HH21 ARG 15 -0.496 6.262 4.709
133 HH22 ARG 15 HH22 ARG 15 -2.184 5.949 4.478
134 H HIS 16 HN HIS 16 -4.567 0.315 -0.866
135 HA HIS 16 HA HIS 16 -5.430 -0.400 1.782
136 HB2 HIS 16 HB1 HIS 16 -6.810 -0.726 -0.891
137 HB3 HIS 16 HB2 HIS 16 -7.567 -0.968 0.680
138 HD1 HIS 16 HD1 HIS 16 -6.746 1.619 -1.785
139 HD2 HIS 16 HD2 HIS 16 -7.846 1.462 2.220
140 HE1 HIS 16 HE1 HIS 16 -7.475 3.952 -1.195
141 HE2 HIS 16 HE2 HIS 16 -8.137 3.834 1.233
142 H SER 17 HN SER 17 -5.224 -2.316 2.719
143 HA SER 17 HA SER 17 -4.504 -4.625 1.057
144 HB2 SER 17 HB1 SER 17 -2.908 -4.075 2.832
145 HB3 SER 17 HB2 SER 17 -4.190 -4.192 4.038
146 HG SER 17 HG SER 17 -3.581 -6.201 4.139
147 H THR 18 HN THR 18 -6.343 -4.044 4.062
148 HA THR 18 HA THR 18 -8.345 -5.977 3.092
149 HB THR 18 HB THR 18 -7.082 -7.023 4.885
150 HG1 THR 18 HG1 THR 18 -9.641 -6.147 5.795
151 HG21 THR 18 HG21 THR 18 -7.060 -6.078 7.148
152 HG22 THR 18 HG22 THR 18 -7.892 -4.640 6.555
153 HG23 THR 18 HG23 THR 18 -6.259 -5.007 5.998
154 H ALA 19 HN ALA 19 -10.504 -5.695 4.043
155 HA ALA 19 HA ALA 19 -11.043 -2.950 4.944
156 HB1 ALA 19 HB1 ALA 19 -12.953 -2.784 3.447
157 HB2 ALA 19 HB2 ALA 19 -12.602 -4.385 2.797
158 HB3 ALA 19 HB3 ALA 19 -11.470 -3.058 2.532
159 H ILE 20 HN ILE 20 -13.276 -2.718 5.840
160 HA ILE 20 HA ILE 20 -14.330 -5.219 6.954
161 HB ILE 20 HB ILE 20 -12.788 -4.070 8.597
162 HG12 ILE 20 HG12 ILE 20 -15.679 -4.286 9.469
163 HG13 ILE 20 HG11 ILE 20 -14.601 -5.661 9.248
164 HG21 ILE 20 HG21 ILE 20 -13.620 -2.091 9.754
165 HG22 ILE 20 HG22 ILE 20 -15.002 -2.024 8.660
166 HG23 ILE 20 HG23 ILE 20 -13.372 -1.766 8.038
167 HD11 ILE 20 HD11 ILE 20 -13.144 -4.794 11.004
168 HD12 ILE 20 HD12 ILE 20 -14.787 -5.064 11.586
169 HD13 ILE 20 HD13 ILE 20 -14.235 -3.427 11.229
170 H GLY 21 HN GLY 21 -15.055 -3.011 4.935
171 HA2 GLY 21 HA1 GLY 21 -17.094 -2.296 4.113
172 HA3 GLY 21 HA2 GLY 21 -17.869 -3.039 5.505
173 H ARG 22 HN ARG 22 -18.730 -1.725 6.973
174 HA ARG 22 HA ARG 22 -18.041 1.126 6.835
175 HB2 ARG 22 HB1 ARG 22 -20.467 -0.233 8.023
176 HB3 ARG 22 HB2 ARG 22 -20.196 1.504 7.978
177 HG2 ARG 22 HG2 ARG 22 -20.222 1.444 5.534
178 HG3 ARG 22 HG1 ARG 22 -20.504 -0.297 5.584
179 HD2 ARG 22 HD2 ARG 22 -22.586 0.914 5.217
180 HD3 ARG 22 HD1 ARG 22 -22.608 0.072 6.767
181 HE ARG 22 HE ARG 22 -21.705 2.669 7.224
182 HH11 ARG 22 HH11 ARG 22 -25.664 2.269 6.780
183 HH12 ARG 22 HH12 ARG 22 -24.603 1.048 6.164
184 HH21 ARG 22 HH21 ARG 22 -24.808 4.107 7.845
185 HH22 ARG 22 HH22 ARG 22 -23.096 4.282 8.036
Start of MODEL 3
1 H1 ACE 0 HA1 ACE 0 6.429 -0.705 11.893
2 H2 ACE 0 HA2 ACE 0 4.984 -0.124 12.716
3 H3 ACE 0 HA3 ACE 0 6.488 0.775 12.900
4 H MET 1 HN MET 1 7.322 1.924 11.111
5 HA MET 1 HA MET 1 5.234 3.032 9.450
6 HB2 MET 1 HB1 MET 1 8.153 3.695 9.809
7 HB3 MET 1 HB2 MET 1 7.140 4.503 8.622
8 HG2 MET 1 HG2 MET 1 7.278 5.870 10.569
9 HG3 MET 1 HG1 MET 1 5.642 5.223 10.449
10 HE1 MET 1 HE1 MET 1 8.897 3.361 11.664
11 HE2 MET 1 HE2 MET 1 8.821 3.650 13.402
12 HE3 MET 1 HE3 MET 1 9.094 4.996 12.296
13 H ASN 2 HN ASN 2 4.644 1.821 7.747
14 HA ASN 2 HA ASN 2 6.784 0.741 6.033
15 HB2 ASN 2 HB2 ASN 2 5.041 -0.837 7.169
16 HB3 ASN 2 HB1 ASN 2 3.952 -0.247 5.918
17 HD21 ASN 2 HD21 ASN 2 6.277 0.045 4.038
18 HD22 ASN 2 HD22 ASN 2 6.592 -1.560 3.490
19 H TRP 3 HN TRP 3 5.381 3.444 6.111
20 HA TRP 3 HA TRP 3 3.777 3.617 3.779
21 HB2 TRP 3 HB1 TRP 3 4.206 6.044 3.892
22 HB3 TRP 3 HB2 TRP 3 3.662 5.381 5.434
23 HD1 TRP 3 HD1 TRP 3 5.358 5.439 7.433
24 HE1 TRP 3 HE1 TRP 3 7.555 6.719 7.837
25 HE3 TRP 3 HE3 TRP 3 6.369 6.788 2.638
26 HZ2 TRP 3 HZ2 TRP 3 9.457 8.114 6.291
27 HZ3 TRP 3 HZ3 TRP 3 8.402 8.087 2.169
28 HH2 TRP 3 HH2 TRP 3 9.922 8.732 3.966
29 H THR 4 HN THR 4 7.105 3.318 4.330
30 HA THR 4 HA THR 4 8.438 4.706 2.483
31 HB THR 4 HB THR 4 8.841 1.737 2.894
32 HG1 THR 4 HG1 THR 4 10.010 3.937 4.283
33 HG21 THR 4 HG21 THR 4 10.093 2.623 0.986
34 HG22 THR 4 HG22 THR 4 11.177 2.208 2.314
35 HG23 THR 4 HG23 THR 4 10.762 3.895 2.009
36 H GLY 5 HN GLY 5 7.040 5.203 0.737
37 HA2 GLY 5 HA2 GLY 5 7.473 3.974 -1.648
38 HA3 GLY 5 HA1 GLY 5 6.072 3.133 -1.000
39 H LEU 6 HN LEU 6 5.297 5.759 0.366
40 HA LEU 6 HA LEU 6 3.422 6.618 -1.542
41 HB2 LEU 6 HB1 LEU 6 3.148 8.584 0.056
42 HB3 LEU 6 HB2 LEU 6 2.837 6.977 0.684
43 HG LEU 6 HG LEU 6 5.181 7.002 1.614
44 HD11 LEU 6 HD11 LEU 6 6.138 8.752 0.243
45 HD12 LEU 6 HD12 LEU 6 6.234 9.191 1.950
46 HD13 LEU 6 HD13 LEU 6 5.006 9.926 0.916
47 HD21 LEU 6 HD21 LEU 6 3.209 7.397 3.005
48 HD22 LEU 6 HD22 LEU 6 3.312 9.121 2.651
49 HD23 LEU 6 HD23 LEU 6 4.605 8.327 3.555
50 H TYR 7 HN TYR 7 6.482 6.988 -2.059
51 HA TYR 7 HA TYR 7 6.168 9.606 -3.287
52 HB2 TYR 7 HB2 TYR 7 8.548 10.124 -2.685
53 HB3 TYR 7 HB1 TYR 7 7.445 10.042 -1.313
54 HD1 TYR 7 HD1 TYR 7 7.184 7.426 -0.498
55 HD2 TYR 7 HD2 TYR 7 10.635 9.228 -2.221
56 HE1 TYR 7 HE1 TYR 7 8.562 5.717 0.495
57 HE2 TYR 7 HE2 TYR 7 12.053 7.505 -1.180
58 HH TYR 7 HH TYR 7 10.776 4.668 0.182
59 H THR 8 HN THR 8 7.792 6.498 -3.282
60 HA THR 8 HA THR 8 8.526 6.942 -6.107
61 HB THR 8 HB THR 8 10.383 5.335 -5.779
62 HG1 THR 8 HG1 THR 8 9.307 4.447 -3.801
63 HG21 THR 8 HG21 THR 8 11.819 6.847 -4.371
64 HG22 THR 8 HG22 THR 8 10.370 7.797 -4.038
65 HG23 THR 8 HG23 THR 8 10.966 7.649 -5.690
66 H LEU 9 HN LEU 9 6.210 5.629 -4.541
67 HA LEU 9 HA LEU 9 6.066 3.279 -6.244
68 HB2 LEU 9 HB2 LEU 9 5.740 3.238 -3.261
69 HB3 LEU 9 HB1 LEU 9 5.167 1.949 -4.306
70 HG LEU 9 HG LEU 9 8.048 2.833 -4.082
71 HD11 LEU 9 HD21 LEU 9 6.650 0.440 -2.907
72 HD12 LEU 9 HD22 LEU 9 7.292 1.819 -2.014
73 HD13 LEU 9 HD23 LEU 9 8.388 0.738 -2.873
74 HD21 LEU 9 HD11 LEU 9 8.505 0.740 -5.295
75 HD22 LEU 9 HD12 LEU 9 7.561 1.884 -6.248
76 HD23 LEU 9 HD13 LEU 9 6.770 0.499 -5.495
77 H LEU 10 HN LEU 10 4.272 4.800 -3.642
78 HA LEU 10 HA LEU 10 2.050 5.225 -3.362
79 HB2 LEU 10 HB2 LEU 10 2.481 6.277 -6.154
80 HB3 LEU 10 HB1 LEU 10 1.123 6.687 -5.123
81 HG LEU 10 HG LEU 10 2.818 7.587 -3.462
82 HD11 LEU 10 HD21 LEU 10 4.903 6.835 -3.957
83 HD12 LEU 10 HD22 LEU 10 4.939 8.351 -4.859
84 HD13 LEU 10 HD23 LEU 10 4.610 6.836 -5.698
85 HD21 LEU 10 HD11 LEU 10 1.453 9.041 -4.861
86 HD22 LEU 10 HD12 LEU 10 2.629 8.902 -6.169
87 HD23 LEU 10 HD13 LEU 10 3.075 9.704 -4.663
88 H SER 11 HN SER 11 1.668 4.773 -6.832
89 HA SER 11 HA SER 11 -0.573 3.057 -6.465
90 HB2 SER 11 HB2 SER 11 -0.556 2.872 -8.929
91 HB3 SER 11 HB1 SER 11 -0.416 4.549 -8.401
92 HG SER 11 HG SER 11 1.076 3.836 -10.101
93 H ARG 12 HN ARG 12 2.581 2.419 -6.011
94 HA ARG 12 HA ARG 12 2.440 -0.317 -7.071
95 HB2 ARG 12 HB2 ARG 12 4.875 1.138 -6.034
96 HB3 ARG 12 HB1 ARG 12 4.847 -0.391 -6.900
97 HG2 ARG 12 HG2 ARG 12 4.138 0.701 -8.918
98 HG3 ARG 12 HG1 ARG 12 3.974 2.241 -8.071
99 HD2 ARG 12 HD1 ARG 12 6.047 2.191 -9.330
100 HD3 ARG 12 HD2 ARG 12 6.385 2.226 -7.600
101 HE ARG 12 HE ARG 12 6.327 -0.442 -8.497
102 HH11 ARG 12 HH11 ARG 12 8.277 2.438 -8.701
103 HH12 ARG 12 HH12 ARG 12 9.761 1.573 -8.916
104 HH21 ARG 12 HH21 ARG 12 8.278 -1.589 -8.779
105 HH22 ARG 12 HH22 ARG 12 9.763 -0.716 -8.961
106 H VAL 13 HN VAL 13 1.461 1.082 -4.452
107 HA VAL 13 HA VAL 13 2.664 -0.822 -2.561
108 HB VAL 13 HB VAL 13 1.053 1.631 -1.866
109 HG11 VAL 13 HG11 VAL 13 2.908 -0.107 -0.248
110 HG12 VAL 13 HG12 VAL 13 1.150 -0.050 -0.123
111 HG13 VAL 13 HG13 VAL 13 2.112 1.357 0.331
112 HG21 VAL 13 HG21 VAL 13 3.188 2.742 -1.396
113 HG22 VAL 13 HG22 VAL 13 3.035 2.320 -3.101
114 HG23 VAL 13 HG23 VAL 13 4.052 1.346 -2.040
115 H ASN 14 HN ASN 14 1.129 -2.345 -3.758
116 HA ASN 14 HA ASN 14 -0.772 -3.592 -3.849
117 HB2 ASN 14 HB1 ASN 14 -0.805 -2.673 -0.975
118 HB3 ASN 14 HB2 ASN 14 -1.947 -3.852 -1.612
119 HD21 ASN 14 HD21 ASN 14 1.373 -3.642 -2.676
120 HD22 ASN 14 HD22 ASN 14 1.894 -5.128 -1.970
121 H ARG 15 HN ARG 15 -2.296 -1.534 -1.472
122 HA ARG 15 HA ARG 15 -3.598 0.254 -3.201
123 HB2 ARG 15 HB2 ARG 15 -5.892 -0.738 -3.124
124 HB3 ARG 15 HB1 ARG 15 -4.757 -1.638 -4.121
125 HG2 ARG 15 HG2 ARG 15 -4.443 -3.245 -2.294
126 HG3 ARG 15 HG1 ARG 15 -5.615 -2.351 -1.323
127 HD2 ARG 15 HD1 ARG 15 -6.652 -4.286 -2.379
128 HD3 ARG 15 HD2 ARG 15 -7.339 -2.784 -2.996
129 HE ARG 15 HE ARG 15 -5.292 -3.483 -4.721
130 HH11 ARG 15 HH11 ARG 15 -8.322 -4.833 -3.650
131 HH12 ARG 15 HH12 ARG 15 -8.620 -5.674 -5.135
132 HH21 ARG 15 HH21 ARG 15 -7.115 -5.535 -6.856
133 HH22 ARG 15 HH22 ARG 15 -5.676 -4.588 -6.678
134 H HIS 16 HN HIS 16 -3.986 1.907 -1.897
135 HA HIS 16 HA HIS 16 -5.260 1.435 0.690
136 HB2 HIS 16 HB2 HIS 16 -2.730 3.061 0.355
137 HB3 HIS 16 HB1 HIS 16 -3.680 2.949 1.834
138 HD1 HIS 16 HD1 HIS 16 -3.864 0.394 2.814
139 HD2 HIS 16 HD2 HIS 16 -0.762 1.206 0.172
140 HE1 HIS 16 HE1 HIS 16 -2.194 -1.456 3.150
141 HE2 HIS 16 HE2 HIS 16 -0.324 -0.945 1.539
142 H SER 17 HN SER 17 -4.637 3.396 -2.057
143 HA SER 17 HA SER 17 -5.675 5.856 -1.149
144 HB2 SER 17 HB1 SER 17 -4.341 5.685 -3.196
145 HB3 SER 17 HB2 SER 17 -5.604 4.715 -3.954
146 HG SER 17 HG SER 17 -6.956 6.483 -3.929
147 H THR 18 HN THR 18 -7.713 6.783 -1.370
148 HA THR 18 HA THR 18 -9.912 4.944 -2.037
149 HB THR 18 HB THR 18 -9.823 5.063 0.384
150 HG1 THR 18 HG1 THR 18 -11.906 5.767 -1.087
151 HG21 THR 18 HG21 THR 18 -10.034 8.057 0.039
152 HG22 THR 18 HG22 THR 18 -8.617 7.178 0.618
153 HG23 THR 18 HG23 THR 18 -10.099 7.189 1.573
154 H ALA 19 HN ALA 19 -8.596 8.152 -2.058
155 HA ALA 19 HA ALA 19 -11.009 9.260 -3.281
156 HB1 ALA 19 HB1 ALA 19 -9.913 11.424 -3.055
157 HB2 ALA 19 HB2 ALA 19 -8.444 10.632 -2.484
158 HB3 ALA 19 HB3 ALA 19 -9.918 10.560 -1.517
159 H ILE 20 HN ILE 20 -11.236 9.201 -5.409
160 HA ILE 20 HA ILE 20 -9.040 8.560 -7.144
161 HB ILE 20 HB ILE 20 -11.261 7.678 -7.618
162 HG12 ILE 20 HG11 ILE 20 -10.419 9.659 -9.746
163 HG13 ILE 20 HG12 ILE 20 -9.657 8.094 -9.478
164 HG21 ILE 20 HG21 ILE 20 -12.063 10.549 -8.066
165 HG22 ILE 20 HG22 ILE 20 -12.595 9.513 -6.741
166 HG23 ILE 20 HG23 ILE 20 -13.066 9.138 -8.399
167 HD11 ILE 20 HD11 ILE 20 -11.200 8.001 -11.338
168 HD12 ILE 20 HD12 ILE 20 -12.514 8.553 -10.300
169 HD13 ILE 20 HD13 ILE 20 -11.765 6.983 -10.014
170 H GLY 21 HN GLY 21 -7.966 9.860 -8.565
171 HA2 GLY 21 HA1 GLY 21 -8.807 12.642 -8.875
172 HA3 GLY 21 HA2 GLY 21 -7.234 12.361 -8.144
173 H ARG 22 HN ARG 22 -6.279 13.505 -9.901
174 HA ARG 22 HA ARG 22 -6.463 12.289 -12.542
175 HB2 ARG 22 HB1 ARG 22 -6.532 14.741 -12.351
176 HB3 ARG 22 HB2 ARG 22 -4.938 14.729 -11.607
177 HG2 ARG 22 HG1 ARG 22 -3.979 13.827 -13.660
178 HG3 ARG 22 HG2 ARG 22 -5.577 13.821 -14.407
179 HD2 ARG 22 HD1 ARG 22 -4.310 15.773 -15.110
180 HD3 ARG 22 HD2 ARG 22 -5.706 16.251 -14.145
181 HE ARG 22 HE ARG 22 -3.569 16.028 -12.398
182 HH11 ARG 22 HH11 ARG 22 -3.516 19.323 -14.674
183 HH12 ARG 22 HH12 ARG 22 -4.433 17.942 -15.177
184 HH21 ARG 22 HH21 ARG 22 -2.336 19.264 -12.711
185 HH22 ARG 22 HH22 ARG 22 -2.359 17.840 -11.726
Start of MODEL 4
1 H1 ACE 0 HA1 ACE 0 4.440 -0.158 12.364
2 H2 ACE 0 HA2 ACE 0 2.899 -0.926 12.734
3 H3 ACE 0 HA3 ACE 0 3.191 0.718 13.297
4 H MET 1 HN MET 1 3.590 2.354 11.610
5 HA MET 1 HA MET 1 1.508 2.280 9.679
6 HB2 MET 1 HB1 MET 1 2.454 4.336 10.841
7 HB3 MET 1 HB2 MET 1 3.815 4.228 9.731
8 HG2 MET 1 HG1 MET 1 2.221 5.840 8.929
9 HG3 MET 1 HG2 MET 1 2.276 4.456 7.840
10 HE1 MET 1 HE1 MET 1 0.019 5.222 6.706
11 HE2 MET 1 HE2 MET 1 -0.075 6.616 7.780
12 HE3 MET 1 HE3 MET 1 -1.468 5.552 7.594
13 H ASN 2 HN ASN 2 1.648 0.919 7.983
14 HA ASN 2 HA ASN 2 4.222 0.519 6.677
15 HB2 ASN 2 HB2 ASN 2 3.128 -1.535 6.950
16 HB3 ASN 2 HB1 ASN 2 1.566 -0.872 6.481
17 HD21 ASN 2 HD21 ASN 2 4.073 -1.099 3.281
18 HD22 ASN 2 HD22 ASN 2 4.476 -0.165 4.678
19 H TRP 3 HN TRP 3 4.821 1.516 4.937
20 HA TRP 3 HA TRP 3 3.068 2.199 2.810
21 HB2 TRP 3 HB1 TRP 3 3.585 4.658 2.873
22 HB3 TRP 3 HB2 TRP 3 2.454 4.092 4.095
23 HD1 TRP 3 HD1 TRP 3 3.500 3.852 6.642
24 HE1 TRP 3 HE1 TRP 3 5.265 5.317 7.806
25 HE3 TRP 3 HE3 TRP 3 5.630 5.898 2.522
26 HZ2 TRP 3 HZ2 TRP 3 7.302 7.116 7.050
27 HZ3 TRP 3 HZ3 TRP 3 7.494 7.492 2.804
28 HH2 TRP 3 HH2 TRP 3 8.316 8.083 5.028
29 H THR 4 HN THR 4 6.074 3.591 4.071
30 HA THR 4 HA THR 4 7.949 4.134 2.877
31 HB THR 4 HB THR 4 8.269 2.000 4.190
32 HG1 THR 4 HG1 THR 4 9.898 3.282 2.939
33 HG21 THR 4 HG21 THR 4 8.587 -0.069 2.954
34 HG22 THR 4 HG22 THR 4 8.147 0.736 1.448
35 HG23 THR 4 HG23 THR 4 6.943 0.523 2.719
36 H GLY 5 HN GLY 5 5.650 4.097 1.089
37 HA2 GLY 5 HA1 GLY 5 7.058 3.886 -1.402
38 HA3 GLY 5 HA2 GLY 5 5.854 2.623 -1.192
39 H LEU 6 HN LEU 6 5.398 5.848 0.099
40 HA LEU 6 HA LEU 6 3.245 6.242 -1.872
41 HB2 LEU 6 HB2 LEU 6 2.424 7.918 -0.137
42 HB3 LEU 6 HB1 LEU 6 2.237 6.210 0.198
43 HG LEU 6 HG LEU 6 4.394 6.386 1.540
44 HD11 LEU 6 HD11 LEU 6 3.776 9.323 1.293
45 HD12 LEU 6 HD12 LEU 6 5.205 8.496 0.673
46 HD13 LEU 6 HD13 LEU 6 4.939 8.612 2.413
47 HD21 LEU 6 HD21 LEU 6 3.255 7.227 3.510
48 HD22 LEU 6 HD22 LEU 6 2.201 6.172 2.566
49 HD23 LEU 6 HD23 LEU 6 1.991 7.921 2.492
50 H TYR 7 HN TYR 7 6.107 6.953 -2.128
51 HA TYR 7 HA TYR 7 5.728 9.775 -2.783
52 HB2 TYR 7 HB2 TYR 7 8.235 10.019 -2.287
53 HB3 TYR 7 HB1 TYR 7 7.138 9.901 -0.915
54 HD1 TYR 7 HD1 TYR 7 6.638 7.304 -0.322
55 HD2 TYR 7 HD2 TYR 7 10.218 8.835 -2.013
56 HE1 TYR 7 HE1 TYR 7 7.831 5.383 0.520
57 HE2 TYR 7 HE2 TYR 7 11.459 6.888 -1.151
58 HH TYR 7 HH TYR 7 11.233 5.203 0.629
59 H THR 8 HN THR 8 7.323 6.742 -3.508
60 HA THR 8 HA THR 8 7.588 7.589 -6.295
61 HB THR 8 HB THR 8 9.845 6.590 -6.457
62 HG1 THR 8 HG1 THR 8 9.311 5.505 -4.203
63 HG21 THR 8 HG21 THR 8 9.625 8.792 -4.399
64 HG22 THR 8 HG22 THR 8 9.629 9.008 -6.150
65 HG23 THR 8 HG23 THR 8 11.067 8.396 -5.333
66 H LEU 9 HN LEU 9 6.193 5.563 -4.336
67 HA LEU 9 HA LEU 9 6.236 3.366 -6.265
68 HB2 LEU 9 HB2 LEU 9 6.533 2.977 -3.292
69 HB3 LEU 9 HB1 LEU 9 6.343 1.697 -4.472
70 HG LEU 9 HG LEU 9 8.674 3.614 -4.427
71 HD11 LEU 9 HD21 LEU 9 8.653 2.263 -2.408
72 HD12 LEU 9 HD22 LEU 9 9.953 1.759 -3.488
73 HD13 LEU 9 HD23 LEU 9 8.477 0.801 -3.375
74 HD21 LEU 9 HD11 LEU 9 9.705 1.976 -5.924
75 HD22 LEU 9 HD12 LEU 9 8.229 2.648 -6.615
76 HD23 LEU 9 HD13 LEU 9 8.217 1.030 -5.912
77 H LEU 10 HN LEU 10 4.422 5.584 -5.253
78 HA LEU 10 HA LEU 10 2.273 4.899 -3.802
79 HB2 LEU 10 HB1 LEU 10 1.437 6.022 -6.372
80 HB3 LEU 10 HB2 LEU 10 1.238 6.654 -4.750
81 HG LEU 10 HG LEU 10 3.741 6.883 -6.427
82 HD11 LEU 10 HD11 LEU 10 1.686 8.948 -5.653
83 HD12 LEU 10 HD12 LEU 10 1.920 8.269 -7.264
84 HD13 LEU 10 HD13 LEU 10 3.183 9.257 -6.532
85 HD21 LEU 10 HD21 LEU 10 4.572 8.332 -4.678
86 HD22 LEU 10 HD22 LEU 10 4.208 6.738 -4.016
87 HD23 LEU 10 HD23 LEU 10 3.100 8.084 -3.740
88 H SER 11 HN SER 11 1.904 4.556 -7.315
89 HA SER 11 HA SER 11 -0.119 2.587 -7.067
90 HB2 SER 11 HB2 SER 11 0.087 2.366 -9.520
91 HB3 SER 11 HB1 SER 11 0.013 4.057 -9.026
92 HG SER 11 HG SER 11 1.862 2.913 -10.485
93 H ARG 12 HN ARG 12 3.165 2.401 -6.654
94 HA ARG 12 HA ARG 12 3.422 -0.353 -7.583
95 HB2 ARG 12 HB2 ARG 12 5.433 1.586 -6.431
96 HB3 ARG 12 HB1 ARG 12 5.819 -0.051 -6.948
97 HG2 ARG 12 HG1 ARG 12 5.261 0.481 -9.225
98 HG3 ARG 12 HG2 ARG 12 4.691 2.082 -8.748
99 HD2 ARG 12 HD2 ARG 12 6.947 2.669 -8.012
100 HD3 ARG 12 HD1 ARG 12 7.518 1.068 -8.479
101 HE ARG 12 HE ARG 12 6.332 2.209 -10.720
102 HH11 ARG 12 HH11 ARG 12 10.014 3.539 -9.876
103 HH12 ARG 12 HH12 ARG 12 9.065 2.791 -8.636
104 HH21 ARG 12 HH21 ARG 12 9.169 3.766 -11.992
105 HH22 ARG 12 HH22 ARG 12 7.578 3.190 -12.358
106 H VAL 13 HN VAL 13 2.086 0.954 -5.037
107 HA VAL 13 HA VAL 13 2.783 -1.251 -3.272
108 HB VAL 13 HB VAL 13 2.907 1.650 -2.432
109 HG11 VAL 13 HG11 VAL 13 1.786 0.320 -0.734
110 HG12 VAL 13 HG12 VAL 13 3.387 0.820 -0.187
111 HG13 VAL 13 HG13 VAL 13 3.120 -0.833 -0.741
112 HG21 VAL 13 HG21 VAL 13 5.219 1.127 -1.823
113 HG22 VAL 13 HG22 VAL 13 4.927 0.855 -3.540
114 HG23 VAL 13 HG23 VAL 13 5.009 -0.514 -2.432
115 H ASN 14 HN ASN 14 0.793 -2.162 -3.310
116 HA ASN 14 HA ASN 14 -1.669 -0.971 -3.530
117 HB2 ASN 14 HB1 ASN 14 -0.864 -3.466 -2.033
118 HB3 ASN 14 HB2 ASN 14 -2.544 -2.984 -2.246
119 HD21 ASN 14 HD21 ASN 14 -0.681 -3.591 -5.807
120 HD22 ASN 14 HD22 ASN 14 -0.073 -2.454 -4.659
121 H ARG 15 HN ARG 15 -2.164 0.819 -2.402
122 HA ARG 15 HA ARG 15 -1.411 1.457 0.189
123 HB2 ARG 15 HB2 ARG 15 -2.357 3.059 -1.439
124 HB3 ARG 15 HB1 ARG 15 -3.936 2.309 -1.242
125 HG2 ARG 15 HG2 ARG 15 -3.983 2.976 1.094
126 HG3 ARG 15 HG1 ARG 15 -2.376 3.688 0.934
127 HD2 ARG 15 HD2 ARG 15 -3.246 5.250 -0.745
128 HD3 ARG 15 HD1 ARG 15 -4.853 4.550 -0.556
129 HE ARG 15 HE ARG 15 -3.925 5.395 1.953
130 HH11 ARG 15 HH11 ARG 15 -4.981 6.715 -1.093
131 HH12 ARG 15 HH12 ARG 15 -5.571 8.187 -0.398
132 HH21 ARG 15 HH21 ARG 15 -4.700 7.330 2.878
133 HH22 ARG 15 HH22 ARG 15 -5.412 8.537 1.859
134 H HIS 16 HN HIS 16 -4.713 0.483 -0.758
135 HA HIS 16 HA HIS 16 -5.004 -0.746 1.904
136 HB2 HIS 16 HB1 HIS 16 -7.107 0.482 0.109
137 HB3 HIS 16 HB2 HIS 16 -7.453 -0.371 1.611
138 HD1 HIS 16 HD1 HIS 16 -6.757 2.928 0.312
139 HD2 HIS 16 HD2 HIS 16 -6.215 0.969 3.937
140 HE1 HIS 16 HE1 HIS 16 -6.410 4.747 2.014
141 HE2 HIS 16 HE2 HIS 16 -6.085 3.539 4.201
142 H SER 17 HN SER 17 -4.625 -1.446 -1.307
143 HA SER 17 HA SER 17 -4.870 -3.310 -2.579
144 HB2 SER 17 HB1 SER 17 -5.336 -4.640 0.102
145 HB3 SER 17 HB2 SER 17 -4.998 -5.484 -1.410
146 HG SER 17 HG SER 17 -3.218 -3.489 -0.638
147 H THR 18 HN THR 18 -6.642 -2.950 -3.802
148 HA THR 18 HA THR 18 -9.212 -3.938 -2.749
149 HB THR 18 HB THR 18 -9.358 -1.528 -2.938
150 HG1 THR 18 HG1 THR 18 -10.695 -2.822 -5.102
151 HG21 THR 18 HG21 THR 18 -9.063 -0.390 -5.093
152 HG22 THR 18 HG22 THR 18 -8.541 -1.909 -5.820
153 HG23 THR 18 HG23 THR 18 -7.568 -1.156 -4.557
154 H ALA 19 HN ALA 19 -6.973 -3.776 -5.407
155 HA ALA 19 HA ALA 19 -8.196 -6.081 -6.631
156 HB1 ALA 19 HB1 ALA 19 -9.539 -4.273 -7.592
157 HB2 ALA 19 HB2 ALA 19 -8.553 -5.070 -8.819
158 HB3 ALA 19 HB3 ALA 19 -8.069 -3.497 -8.183
159 H ILE 20 HN ILE 20 -6.544 -7.356 -7.106
160 HA ILE 20 HA ILE 20 -3.905 -6.207 -7.568
161 HB ILE 20 HB ILE 20 -3.102 -8.546 -7.453
162 HG12 ILE 20 HG12 ILE 20 -5.983 -9.205 -6.797
163 HG13 ILE 20 HG11 ILE 20 -5.186 -9.599 -8.316
164 HG21 ILE 20 HG21 ILE 20 -4.848 -7.685 -5.149
165 HG22 ILE 20 HG22 ILE 20 -3.187 -7.170 -5.447
166 HG23 ILE 20 HG23 ILE 20 -3.532 -8.856 -5.061
167 HD11 ILE 20 HD11 ILE 20 -5.282 -11.526 -6.855
168 HD12 ILE 20 HD12 ILE 20 -4.420 -10.636 -5.599
169 HD13 ILE 20 HD13 ILE 20 -3.611 -11.025 -7.116
170 H GLY 21 HN GLY 21 -2.550 -6.990 -9.329
171 HA2 GLY 21 HA2 GLY 21 -2.251 -7.971 -11.467
172 HA3 GLY 21 HA1 GLY 21 -3.997 -8.059 -11.643
173 H ARG 22 HN ARG 22 -1.553 -6.769 -13.116
174 HA ARG 22 HA ARG 22 -2.329 -3.992 -13.234
175 HB2 ARG 22 HB1 ARG 22 -0.317 -5.619 -14.790
176 HB3 ARG 22 HB2 ARG 22 -0.606 -3.911 -15.084
177 HG2 ARG 22 HG2 ARG 22 1.291 -4.019 -13.703
178 HG3 ARG 22 HG1 ARG 22 -0.039 -3.526 -12.652
179 HD2 ARG 22 HD1 ARG 22 -0.267 -5.801 -11.835
180 HD3 ARG 22 HD2 ARG 22 1.005 -6.342 -12.930
181 HE ARG 22 HE ARG 22 1.993 -4.280 -11.288
182 HH11 ARG 22 HH11 ARG 22 2.048 -7.997 -9.801
183 HH12 ARG 22 HH12 ARG 22 1.001 -7.617 -11.128
184 HH21 ARG 22 HH21 ARG 22 3.395 -6.381 -8.899
185 HH22 ARG 22 HH22 ARG 22 3.372 -4.773 -9.541
Start of MODEL 5
1 H1 ACE 0 HA1 ACE 0 1.947 0.471 12.531
2 H2 ACE 0 HA2 ACE 0 2.271 -1.040 11.684
3 H3 ACE 0 HA3 ACE 0 0.622 -0.419 11.720
4 H MET 1 HN MET 1 3.741 1.152 11.072
5 HA MET 1 HA MET 1 2.567 2.335 8.671
6 HB2 MET 1 HB2 MET 1 5.086 2.939 10.220
7 HB3 MET 1 HB1 MET 1 4.704 3.702 8.683
8 HG2 MET 1 HG1 MET 1 4.079 5.176 10.450
9 HG3 MET 1 HG2 MET 1 2.615 4.569 9.680
10 HE1 MET 1 HE1 MET 1 4.184 3.073 13.755
11 HE2 MET 1 HE2 MET 1 4.974 4.331 12.804
12 HE3 MET 1 HE3 MET 1 4.953 2.665 12.222
13 H ASN 2 HN ASN 2 2.732 1.079 6.922
14 HA ASN 2 HA ASN 2 5.329 -0.213 6.380
15 HB2 ASN 2 HB2 ASN 2 4.262 -2.035 5.392
16 HB3 ASN 2 HB1 ASN 2 3.197 -1.668 6.746
17 HD21 ASN 2 HD21 ASN 2 1.981 -0.946 2.905
18 HD22 ASN 2 HD22 ASN 2 3.660 -1.094 3.282
19 H TRP 3 HN TRP 3 3.347 2.273 5.501
20 HA TRP 3 HA TRP 3 2.947 2.391 2.874
21 HB2 TRP 3 HB1 TRP 3 3.557 4.809 2.935
22 HB3 TRP 3 HB2 TRP 3 2.447 4.295 4.198
23 HD1 TRP 3 HD1 TRP 3 3.558 4.055 6.715
24 HE1 TRP 3 HE1 TRP 3 5.439 5.443 7.796
25 HE3 TRP 3 HE3 TRP 3 5.642 5.903 2.499
26 HZ2 TRP 3 HZ2 TRP 3 7.551 7.121 6.929
27 HZ3 TRP 3 HZ3 TRP 3 7.601 7.398 2.673
28 HH2 TRP 3 HH2 TRP 3 8.537 7.988 4.851
29 H THR 4 HN THR 4 6.043 3.632 4.089
30 HA THR 4 HA THR 4 7.895 4.116 2.771
31 HB THR 4 HB THR 4 7.958 1.100 2.705
32 HG1 THR 4 HG1 THR 4 8.052 2.888 4.873
33 HG21 THR 4 HG21 THR 4 10.358 1.446 3.125
34 HG22 THR 4 HG22 THR 4 10.107 3.192 3.090
35 HG23 THR 4 HG23 THR 4 9.840 2.233 1.634
36 H GLY 5 HN GLY 5 5.681 4.255 1.054
37 HA2 GLY 5 HA2 GLY 5 6.908 3.735 -1.467
38 HA3 GLY 5 HA1 GLY 5 5.620 2.585 -1.132
39 H LEU 6 HN LEU 6 5.413 5.853 0.059
40 HA LEU 6 HA LEU 6 3.264 6.360 -1.892
41 HB2 LEU 6 HB2 LEU 6 2.543 8.074 -0.159
42 HB3 LEU 6 HB1 LEU 6 2.283 6.378 0.197
43 HG LEU 6 HG LEU 6 4.473 6.478 1.502
44 HD11 LEU 6 HD11 LEU 6 5.344 8.555 0.612
45 HD12 LEU 6 HD12 LEU 6 5.112 8.686 2.356
46 HD13 LEU 6 HD13 LEU 6 3.956 9.434 1.252
47 HD21 LEU 6 HD21 LEU 6 2.150 8.110 2.493
48 HD22 LEU 6 HD22 LEU 6 3.398 7.353 3.487
49 HD23 LEU 6 HD23 LEU 6 2.281 6.353 2.557
50 H TYR 7 HN TYR 7 6.174 6.919 -2.151
51 HA TYR 7 HA TYR 7 5.934 9.761 -2.797
52 HB2 TYR 7 HB2 TYR 7 8.455 9.869 -2.322
53 HB3 TYR 7 HB1 TYR 7 7.366 9.797 -0.940
54 HD1 TYR 7 HD1 TYR 7 6.739 7.228 -0.355
55 HD2 TYR 7 HD2 TYR 7 10.373 8.578 -2.086
56 HE1 TYR 7 HE1 TYR 7 7.842 5.240 0.460
57 HE2 TYR 7 HE2 TYR 7 11.520 6.564 -1.252
58 HH TYR 7 HH TYR 7 11.228 4.881 0.524
59 H THR 8 HN THR 8 7.482 6.687 -3.523
60 HA THR 8 HA THR 8 7.709 7.520 -6.323
61 HB THR 8 HB THR 8 9.931 6.476 -6.518
62 HG1 THR 8 HG1 THR 8 9.367 5.379 -4.254
63 HG21 THR 8 HG21 THR 8 9.802 8.621 -4.394
64 HG22 THR 8 HG22 THR 8 9.795 8.890 -6.138
65 HG23 THR 8 HG23 THR 8 11.222 8.208 -5.355
66 H LEU 9 HN LEU 9 6.253 5.550 -4.365
67 HA LEU 9 HA LEU 9 6.215 3.348 -6.284
68 HB2 LEU 9 HB1 LEU 9 6.540 2.960 -3.314
69 HB3 LEU 9 HB2 LEU 9 6.285 1.681 -4.484
70 HG LEU 9 HG LEU 9 8.681 3.516 -4.496
71 HD11 LEU 9 HD21 LEU 9 8.659 2.193 -2.461
72 HD12 LEU 9 HD22 LEU 9 9.914 1.625 -3.563
73 HD13 LEU 9 HD23 LEU 9 8.406 0.725 -3.405
74 HD21 LEU 9 HD11 LEU 9 8.089 0.942 -5.951
75 HD22 LEU 9 HD12 LEU 9 9.626 1.806 -5.983
76 HD23 LEU 9 HD13 LEU 9 8.181 2.552 -6.664
77 H LEU 10 HN LEU 10 4.477 5.621 -5.252
78 HA LEU 10 HA LEU 10 2.325 5.011 -3.782
79 HB2 LEU 10 HB1 LEU 10 1.489 6.131 -6.353
80 HB3 LEU 10 HB2 LEU 10 1.330 6.785 -4.736
81 HG LEU 10 HG LEU 10 3.818 6.923 -6.444
82 HD11 LEU 10 HD11 LEU 10 3.326 9.315 -6.569
83 HD12 LEU 10 HD12 LEU 10 1.823 9.050 -5.685
84 HD13 LEU 10 HD13 LEU 10 2.037 8.349 -7.289
85 HD21 LEU 10 HD21 LEU 10 4.715 8.362 -4.727
86 HD22 LEU 10 HD22 LEU 10 4.295 6.796 -4.030
87 HD23 LEU 10 HD23 LEU 10 3.243 8.189 -3.775
88 H SER 11 HN SER 11 1.887 4.651 -7.283
89 HA SER 11 HA SER 11 -0.164 2.712 -6.963
90 HB2 SER 11 HB2 SER 11 -0.061 2.510 -9.424
91 HB3 SER 11 HB1 SER 11 -0.103 4.196 -8.912
92 HG SER 11 HG SER 11 2.062 4.375 -9.343
93 H ARG 12 HN ARG 12 3.122 2.487 -6.661
94 HA ARG 12 HA ARG 12 3.331 -0.250 -7.648
95 HB2 ARG 12 HB1 ARG 12 5.398 1.620 -6.479
96 HB3 ARG 12 HB2 ARG 12 5.739 0.007 -7.095
97 HG2 ARG 12 HG2 ARG 12 5.077 0.683 -9.322
98 HG3 ARG 12 HG1 ARG 12 4.621 2.280 -8.724
99 HD2 ARG 12 HD2 ARG 12 6.793 2.400 -9.770
100 HD3 ARG 12 HD1 ARG 12 6.959 2.658 -8.032
101 HE ARG 12 HE ARG 12 7.368 -0.029 -8.409
102 HH11 ARG 12 HH11 ARG 12 10.393 2.213 -9.772
103 HH12 ARG 12 HH12 ARG 12 8.819 2.913 -9.584
104 HH21 ARG 12 HH21 ARG 12 10.743 0.014 -9.242
105 HH22 ARG 12 HH22 ARG 12 9.436 -0.958 -8.652
106 H VAL 13 HN VAL 13 2.034 0.983 -5.058
107 HA VAL 13 HA VAL 13 2.788 -1.249 -3.348
108 HB VAL 13 HB VAL 13 2.879 1.636 -2.456
109 HG11 VAL 13 HG11 VAL 13 3.157 -0.864 -0.799
110 HG12 VAL 13 HG12 VAL 13 1.791 0.251 -0.772
111 HG13 VAL 13 HG13 VAL 13 3.380 0.791 -0.230
112 HG21 VAL 13 HG21 VAL 13 4.895 0.887 -3.596
113 HG22 VAL 13 HG22 VAL 13 5.003 -0.504 -2.518
114 HG23 VAL 13 HG23 VAL 13 5.203 1.126 -1.877
115 H ASN 14 HN ASN 14 0.807 -2.190 -3.407
116 HA ASN 14 HA ASN 14 -1.670 -0.977 -3.518
117 HB2 ASN 14 HB2 ASN 14 -0.843 -3.588 -2.242
118 HB3 ASN 14 HB1 ASN 14 -2.524 -3.093 -2.408
119 HD21 ASN 14 HD21 ASN 14 -0.074 -2.359 -4.787
120 HD22 ASN 14 HD22 ASN 14 -0.683 -3.406 -6.018
121 H ARG 15 HN ARG 15 -1.975 0.778 -2.225
122 HA ARG 15 HA ARG 15 -1.245 0.968 0.479
123 HB2 ARG 15 HB1 ARG 15 -2.713 2.928 0.552
124 HB3 ARG 15 HB2 ARG 15 -1.718 2.932 -0.897
125 HG2 ARG 15 HG2 ARG 15 -3.612 2.101 -2.200
126 HG3 ARG 15 HG1 ARG 15 -4.609 2.107 -0.744
127 HD2 ARG 15 HD1 ARG 15 -3.303 4.511 -2.013
128 HD3 ARG 15 HD2 ARG 15 -5.015 4.095 -2.099
129 HE ARG 15 HE ARG 15 -4.383 4.241 0.587
130 HH11 ARG 15 HH11 ARG 15 -4.368 6.381 -2.163
131 HH12 ARG 15 HH12 ARG 15 -4.666 7.803 -1.220
132 HH21 ARG 15 HH21 ARG 15 -4.898 7.648 1.052
133 HH22 ARG 15 HH22 ARG 15 -4.776 6.108 1.835
134 H HIS 16 HN HIS 16 -3.238 1.685 2.047
135 HA HIS 16 HA HIS 16 -5.199 -0.507 2.002
136 HB2 HIS 16 HB1 HIS 16 -3.632 0.442 4.410
137 HB3 HIS 16 HB2 HIS 16 -4.943 -0.733 4.454
138 HD1 HIS 16 HD1 HIS 16 -1.504 -0.337 2.893
139 HD2 HIS 16 HD2 HIS 16 -4.138 -3.306 4.122
140 HE1 HIS 16 HE1 HIS 16 -0.248 -2.500 2.631
141 HE2 HIS 16 HE2 HIS 16 -1.862 -4.284 3.380
142 H SER 17 HN SER 17 -7.164 -0.090 3.157
143 HA SER 17 HA SER 17 -8.006 2.650 2.923
144 HB2 SER 17 HB1 SER 17 -9.513 0.841 2.254
145 HB3 SER 17 HB2 SER 17 -9.501 0.204 3.898
146 HG SER 17 HG SER 17 -11.339 1.513 3.474
147 H THR 18 HN THR 18 -7.621 4.094 4.457
148 HA THR 18 HA THR 18 -7.850 3.248 7.272
149 HB THR 18 HB THR 18 -5.947 5.335 6.189
150 HG1 THR 18 HG1 THR 18 -5.284 2.837 7.372
151 HG21 THR 18 HG21 THR 18 -6.291 4.216 8.975
152 HG22 THR 18 HG22 THR 18 -6.727 5.842 8.449
153 HG23 THR 18 HG23 THR 18 -5.034 5.347 8.470
154 H ALA 19 HN ALA 19 -9.694 4.078 8.013
155 HA ALA 19 HA ALA 19 -11.353 5.543 8.536
156 HB1 ALA 19 HB1 ALA 19 -9.491 6.798 9.518
157 HB2 ALA 19 HB2 ALA 19 -10.737 7.872 8.880
158 HB3 ALA 19 HB3 ALA 19 -9.241 7.625 7.980
159 H ILE 20 HN ILE 20 -12.263 7.883 7.625
160 HA ILE 20 HA ILE 20 -12.500 7.531 4.708
161 HB ILE 20 HB ILE 20 -14.712 8.359 6.593
162 HG12 ILE 20 HG12 ILE 20 -14.384 5.798 5.012
163 HG13 ILE 20 HG11 ILE 20 -14.094 5.952 6.742
164 HG21 ILE 20 HG21 ILE 20 -16.148 8.206 4.609
165 HG22 ILE 20 HG22 ILE 20 -14.731 7.862 3.618
166 HG23 ILE 20 HG23 ILE 20 -14.891 9.427 4.415
167 HD11 ILE 20 HD11 ILE 20 -16.263 4.969 6.297
168 HD12 ILE 20 HD12 ILE 20 -16.725 6.383 5.350
169 HD13 ILE 20 HD13 ILE 20 -16.436 6.539 7.083
170 H GLY 21 HN GLY 21 -11.834 9.245 3.607
171 HA2 GLY 21 HA2 GLY 21 -12.395 11.927 4.627
172 HA3 GLY 21 HA1 GLY 21 -10.710 11.512 4.357
173 H ARG 22 HN ARG 22 -11.685 13.628 3.021
174 HA ARG 22 HA ARG 22 -12.488 12.733 0.361
175 HB2 ARG 22 HB1 ARG 22 -12.160 15.522 1.481
176 HB3 ARG 22 HB2 ARG 22 -12.770 15.137 -0.122
177 HG2 ARG 22 HG1 ARG 22 -14.670 13.974 0.878
178 HG3 ARG 22 HG2 ARG 22 -14.056 14.357 2.487
179 HD2 ARG 22 HD2 ARG 22 -15.819 15.907 1.830
180 HD3 ARG 22 HD1 ARG 22 -14.275 16.740 2.012
181 HE ARG 22 HE ARG 22 -14.566 16.001 -0.669
182 HH11 ARG 22 HH11 ARG 22 -16.013 18.154 1.657
183 HH12 ARG 22 HH12 ARG 22 -16.503 19.315 0.470
184 HH21 ARG 22 HH21 ARG 22 -15.208 17.526 -2.239
185 HH22 ARG 22 HH22 ARG 22 -16.046 18.958 -1.745
Start of MODEL 6
1 H1 ACE 0 HA1 ACE 0 4.384 1.430 13.575
2 H2 ACE 0 HA2 ACE 0 4.785 0.027 12.586
3 H3 ACE 0 HA3 ACE 0 3.227 0.074 13.410
4 H MET 1 HN MET 1 5.048 2.374 11.392
5 HA MET 1 HA MET 1 2.579 2.992 9.960
6 HB2 MET 1 HB2 MET 1 5.301 4.291 9.744
7 HB3 MET 1 HB1 MET 1 3.808 4.882 9.030
8 HG2 MET 1 HG2 MET 1 4.394 4.656 11.970
9 HG3 MET 1 HG1 MET 1 4.398 6.138 11.015
10 HE1 MET 1 HE1 MET 1 2.732 5.790 13.718
11 HE2 MET 1 HE2 MET 1 1.211 6.554 13.259
12 HE3 MET 1 HE3 MET 1 2.744 7.270 12.758
13 H ASN 2 HN ASN 2 2.174 1.533 8.367
14 HA ASN 2 HA ASN 2 4.402 0.596 6.732
15 HB2 ASN 2 HB1 ASN 2 3.014 -1.211 7.276
16 HB3 ASN 2 HB2 ASN 2 1.541 -0.287 6.994
17 HD21 ASN 2 HD21 ASN 2 4.205 -0.113 4.748
18 HD22 ASN 2 HD22 ASN 2 3.455 -1.012 3.477
19 H TRP 3 HN TRP 3 4.948 1.606 5.003
20 HA TRP 3 HA TRP 3 3.127 2.379 2.988
21 HB2 TRP 3 HB1 TRP 3 3.752 4.815 2.996
22 HB3 TRP 3 HB2 TRP 3 2.650 4.308 4.268
23 HD1 TRP 3 HD1 TRP 3 3.807 4.037 6.772
24 HE1 TRP 3 HE1 TRP 3 5.667 5.454 7.845
25 HE3 TRP 3 HE3 TRP 3 5.800 5.989 2.546
26 HZ2 TRP 3 HZ2 TRP 3 7.722 7.190 6.980
27 HZ3 TRP 3 HZ3 TRP 3 7.724 7.528 2.726
28 HH2 TRP 3 HH2 TRP 3 8.668 8.109 4.904
29 H THR 4 HN THR 4 6.238 3.709 4.040
30 HA THR 4 HA THR 4 8.054 4.150 2.720
31 HB THR 4 HB THR 4 8.392 2.051 4.090
32 HG1 THR 4 HG1 THR 4 9.982 3.237 2.709
33 HG21 THR 4 HG21 THR 4 6.936 0.568 2.750
34 HG22 THR 4 HG22 THR 4 8.574 -0.067 2.910
35 HG23 THR 4 HG23 THR 4 8.069 0.699 1.404
36 H GLY 5 HN GLY 5 5.641 4.112 1.097
37 HA2 GLY 5 HA1 GLY 5 6.856 3.748 -1.481
38 HA3 GLY 5 HA2 GLY 5 5.608 2.561 -1.127
39 H LEU 6 HN LEU 6 5.452 5.866 0.029
40 HA LEU 6 HA LEU 6 3.178 6.317 -1.792
41 HB2 LEU 6 HB1 LEU 6 2.541 8.044 -0.021
42 HB3 LEU 6 HB2 LEU 6 2.291 6.347 0.335
43 HG LEU 6 HG LEU 6 4.512 6.408 1.560
44 HD11 LEU 6 HD11 LEU 6 5.424 8.437 0.606
45 HD12 LEU 6 HD12 LEU 6 5.262 8.605 2.355
46 HD13 LEU 6 HD13 LEU 6 4.095 9.378 1.281
47 HD21 LEU 6 HD21 LEU 6 2.287 8.135 2.616
48 HD22 LEU 6 HD22 LEU 6 3.553 7.361 3.573
49 HD23 LEU 6 HD23 LEU 6 2.368 6.376 2.711
50 H TYR 7 HN TYR 7 6.125 6.949 -2.078
51 HA TYR 7 HA TYR 7 5.799 9.779 -2.758
52 HB2 TYR 7 HB1 TYR 7 8.327 9.941 -2.369
53 HB3 TYR 7 HB2 TYR 7 7.293 9.835 -0.947
54 HD1 TYR 7 HD1 TYR 7 6.747 7.246 -0.368
55 HD2 TYR 7 HD2 TYR 7 10.285 8.698 -2.207
56 HE1 TYR 7 HE1 TYR 7 7.921 5.279 0.390
57 HE2 TYR 7 HE2 TYR 7 11.508 6.703 -1.431
58 HH TYR 7 HH TYR 7 9.931 3.960 -0.195
59 H THR 8 HN THR 8 7.360 6.726 -3.536
60 HA THR 8 HA THR 8 7.460 7.540 -6.344
61 HB THR 8 HB THR 8 9.719 6.575 -6.615
62 HG1 THR 8 HG1 THR 8 9.329 5.491 -4.340
63 HG21 THR 8 HG21 THR 8 9.482 8.993 -6.313
64 HG22 THR 8 HG22 THR 8 10.973 8.409 -5.576
65 HG23 THR 8 HG23 THR 8 9.580 8.790 -4.564
66 H LEU 9 HN LEU 9 6.163 5.527 -4.321
67 HA LEU 9 HA LEU 9 6.190 3.302 -6.213
68 HB2 LEU 9 HB2 LEU 9 6.596 2.975 -3.247
69 HB3 LEU 9 HB1 LEU 9 6.362 1.665 -4.387
70 HG LEU 9 HG LEU 9 8.679 3.595 -4.498
71 HD11 LEU 9 HD21 LEU 9 10.015 1.780 -3.563
72 HD12 LEU 9 HD22 LEU 9 8.553 0.815 -3.351
73 HD13 LEU 9 HD23 LEU 9 8.764 2.311 -2.439
74 HD21 LEU 9 HD11 LEU 9 8.158 0.973 -5.889
75 HD22 LEU 9 HD12 LEU 9 9.656 1.899 -5.979
76 HD23 LEU 9 HD13 LEU 9 8.163 2.572 -6.633
77 H LEU 10 HN LEU 10 4.384 5.516 -5.032
78 HA LEU 10 HA LEU 10 2.269 4.666 -3.597
79 HB2 LEU 10 HB1 LEU 10 2.171 6.324 -6.116
80 HB3 LEU 10 HB2 LEU 10 0.851 6.183 -4.971
81 HG LEU 10 HG LEU 10 2.423 7.128 -3.223
82 HD11 LEU 10 HD21 LEU 10 4.142 7.329 -5.642
83 HD12 LEU 10 HD22 LEU 10 4.577 6.957 -3.968
84 HD13 LEU 10 HD23 LEU 10 4.210 8.617 -4.440
85 HD21 LEU 10 HD11 LEU 10 2.097 9.432 -3.970
86 HD22 LEU 10 HD12 LEU 10 0.658 8.452 -4.251
87 HD23 LEU 10 HD13 LEU 10 1.729 8.854 -5.595
88 H SER 11 HN SER 11 2.032 4.621 -7.148
89 HA SER 11 HA SER 11 -0.069 2.713 -7.143
90 HB2 SER 11 HB2 SER 11 0.209 4.314 -8.981
91 HB3 SER 11 HB1 SER 11 1.756 3.579 -9.402
92 HG SER 11 HG SER 11 -0.617 2.056 -9.325
93 H ARG 12 HN ARG 12 3.195 2.396 -6.604
94 HA ARG 12 HA ARG 12 3.347 -0.337 -7.644
95 HB2 ARG 12 HB1 ARG 12 5.496 1.442 -6.475
96 HB3 ARG 12 HB2 ARG 12 5.759 -0.159 -7.156
97 HG2 ARG 12 HG2 ARG 12 5.119 0.614 -9.344
98 HG3 ARG 12 HG1 ARG 12 4.678 2.194 -8.694
99 HD2 ARG 12 HD1 ARG 12 6.850 2.318 -9.753
100 HD3 ARG 12 HD2 ARG 12 7.015 2.545 -8.011
101 HE ARG 12 HE ARG 12 7.404 -0.146 -8.467
102 HH11 ARG 12 HH11 ARG 12 10.478 2.143 -9.630
103 HH12 ARG 12 HH12 ARG 12 8.901 2.840 -9.461
104 HH21 ARG 12 HH21 ARG 12 9.477 -1.071 -8.685
105 HH22 ARG 12 HH22 ARG 12 10.805 -0.080 -9.189
106 H VAL 13 HN VAL 13 2.081 0.926 -5.071
107 HA VAL 13 HA VAL 13 2.802 -1.294 -3.334
108 HB VAL 13 HB VAL 13 2.949 1.605 -2.496
109 HG11 VAL 13 HG11 VAL 13 3.396 0.808 -0.243
110 HG12 VAL 13 HG12 VAL 13 3.138 -0.857 -0.771
111 HG13 VAL 13 HG13 VAL 13 1.800 0.293 -0.792
112 HG21 VAL 13 HG21 VAL 13 5.250 1.055 -1.882
113 HG22 VAL 13 HG22 VAL 13 4.955 0.757 -3.595
114 HG23 VAL 13 HG23 VAL 13 5.013 -0.594 -2.462
115 H ASN 14 HN ASN 14 0.826 -2.217 -3.323
116 HA ASN 14 HA ASN 14 -1.648 -1.080 -3.551
117 HB2 ASN 14 HB2 ASN 14 -2.506 -3.058 -2.251
118 HB3 ASN 14 HB1 ASN 14 -1.439 -3.464 -3.591
119 HD21 ASN 14 HD21 ASN 14 0.660 -4.185 -3.154
120 HD22 ASN 14 HD22 ASN 14 1.096 -4.816 -1.605
121 H ARG 15 HN ARG 15 -2.124 0.766 -2.501
122 HA ARG 15 HA ARG 15 -1.403 1.434 0.112
123 HB2 ARG 15 HB2 ARG 15 -3.141 3.180 -0.053
124 HB3 ARG 15 HB1 ARG 15 -2.119 3.116 -1.481
125 HG2 ARG 15 HG2 ARG 15 -3.866 1.845 -2.653
126 HG3 ARG 15 HG1 ARG 15 -4.896 1.980 -1.225
127 HD2 ARG 15 HD1 ARG 15 -5.496 3.661 -2.873
128 HD3 ARG 15 HD2 ARG 15 -4.843 4.419 -1.420
129 HE ARG 15 HE ARG 15 -2.712 4.099 -3.146
130 HH11 ARG 15 HH11 ARG 15 -5.768 5.775 -3.153
131 HH12 ARG 15 HH12 ARG 15 -5.212 7.049 -4.187
132 HH21 ARG 15 HH21 ARG 15 -1.973 5.771 -4.507
133 HH22 ARG 15 HH22 ARG 15 -3.056 7.046 -4.956
134 H HIS 16 HN HIS 16 -4.167 -0.322 -1.139
135 HA HIS 16 HA HIS 16 -5.341 -0.488 1.536
136 HB2 HIS 16 HB1 HIS 16 -7.260 -1.566 0.348
137 HB3 HIS 16 HB2 HIS 16 -6.916 0.073 -0.194
138 HD1 HIS 16 HD1 HIS 16 -6.143 0.387 -2.609
139 HD2 HIS 16 HD2 HIS 16 -6.697 -3.591 -1.543
140 HE1 HIS 16 HE1 HIS 16 -6.060 -0.905 -4.765
141 HE2 HIS 16 HE2 HIS 16 -6.397 -3.311 -4.097
142 H SER 17 HN SER 17 -6.432 -2.761 1.894
143 HA SER 17 HA SER 17 -6.126 -4.937 2.466
144 HB2 SER 17 HB1 SER 17 -4.468 -4.988 -0.068
145 HB3 SER 17 HB2 SER 17 -5.010 -6.414 0.818
146 HG SER 17 HG SER 17 -6.323 -5.581 -1.052
147 H THR 18 HN THR 18 -5.031 -4.911 4.347
148 HA THR 18 HA THR 18 -2.317 -4.182 4.625
149 HB THR 18 HB THR 18 -2.486 -5.178 6.897
150 HG1 THR 18 HG1 THR 18 -4.552 -6.420 5.707
151 HG21 THR 18 HG21 THR 18 -3.189 -2.863 6.517
152 HG22 THR 18 HG22 THR 18 -4.209 -3.638 7.731
153 HG23 THR 18 HG23 THR 18 -4.807 -3.418 6.087
154 H ALA 19 HN ALA 19 -3.936 -7.334 4.527
155 HA ALA 19 HA ALA 19 -3.173 -9.441 4.146
156 HB1 ALA 19 HB1 ALA 19 -1.356 -9.709 2.545
157 HB2 ALA 19 HB2 ALA 19 -0.926 -8.009 2.732
158 HB3 ALA 19 HB3 ALA 19 -2.476 -8.452 2.018
159 H ILE 20 HN ILE 20 -2.181 -7.817 6.499
160 HA ILE 20 HA ILE 20 0.415 -8.999 7.053
161 HB ILE 20 HB ILE 20 -1.325 -7.279 8.826
162 HG12 ILE 20 HG12 ILE 20 1.086 -6.514 7.164
163 HG13 ILE 20 HG11 ILE 20 -0.584 -6.160 6.729
164 HG21 ILE 20 HG21 ILE 20 0.245 -8.629 10.097
165 HG22 ILE 20 HG22 ILE 20 0.733 -6.935 10.121
166 HG23 ILE 20 HG23 ILE 20 1.572 -8.079 9.074
167 HD11 ILE 20 HD11 ILE 20 0.501 -4.221 7.692
168 HD12 ILE 20 HD12 ILE 20 0.863 -5.132 9.158
169 HD13 ILE 20 HD13 ILE 20 -0.811 -4.782 8.728
170 H GLY 21 HN GLY 21 0.533 -11.021 7.765
171 HA2 GLY 21 HA1 GLY 21 -1.065 -11.864 10.020
172 HA3 GLY 21 HA2 GLY 21 -1.423 -12.725 8.531
173 H ARG 22 HN ARG 22 0.932 -12.168 11.037
174 HA ARG 22 HA ARG 22 2.982 -13.805 9.923
175 HB2 ARG 22 HB1 ARG 22 3.439 -12.063 11.606
176 HB3 ARG 22 HB2 ARG 22 2.522 -12.977 12.796
177 HG2 ARG 22 HG1 ARG 22 4.134 -14.808 12.631
178 HG3 ARG 22 HG2 ARG 22 5.055 -13.885 11.441
179 HD2 ARG 22 HD2 ARG 22 6.054 -13.687 13.651
180 HD3 ARG 22 HD1 ARG 22 5.441 -12.131 13.096
181 HE ARG 22 HE ARG 22 3.433 -13.334 14.603
182 HH11 ARG 22 HH11 ARG 22 6.652 -12.080 15.063
183 HH12 ARG 22 HH12 ARG 22 6.383 -11.638 16.715
184 HH21 ARG 22 HH21 ARG 22 4.347 -12.022 17.690
185 HH22 ARG 22 HH22 ARG 22 3.070 -12.756 16.778
Start of MODEL 7
1 H1 ACE 0 HA1 ACE 0 7.736 -2.134 11.583
2 H2 ACE 0 HA2 ACE 0 8.857 -2.644 10.321
3 H3 ACE 0 HA3 ACE 0 7.356 -3.540 10.542
4 H MET 1 HN MET 1 8.724 -0.455 9.540
5 HA MET 1 HA MET 1 6.182 0.361 8.376
6 HB2 MET 1 HB2 MET 1 8.860 1.743 8.588
7 HB3 MET 1 HB1 MET 1 7.477 2.433 7.751
8 HG2 MET 1 HG2 MET 1 7.583 3.395 9.918
9 HG3 MET 1 HG1 MET 1 6.199 2.303 9.875
10 HE1 MET 1 HE1 MET 1 7.501 3.468 12.565
11 HE2 MET 1 HE2 MET 1 7.471 2.027 13.582
12 HE3 MET 1 HE3 MET 1 6.097 2.401 12.541
13 H ASN 2 HN ASN 2 5.706 -0.593 6.493
14 HA ASN 2 HA ASN 2 7.843 -0.803 4.475
15 HB2 ASN 2 HB1 ASN 2 6.611 -2.923 5.386
16 HB3 ASN 2 HB2 ASN 2 5.307 -2.399 4.326
17 HD21 ASN 2 HD21 ASN 2 7.932 -2.609 1.563
18 HD22 ASN 2 HD22 ASN 2 7.315 -1.245 2.422
19 H TRP 3 HN TRP 3 5.904 1.435 5.162
20 HA TRP 3 HA TRP 3 4.117 1.613 2.936
21 HB2 TRP 3 HB1 TRP 3 3.773 3.928 3.625
22 HB3 TRP 3 HB2 TRP 3 3.629 2.828 4.995
23 HD1 TRP 3 HD1 TRP 3 5.435 3.023 6.890
24 HE1 TRP 3 HE1 TRP 3 7.131 4.861 7.505
25 HE3 TRP 3 HE3 TRP 3 5.423 5.596 2.513
26 HZ2 TRP 3 HZ2 TRP 3 8.295 7.108 6.256
27 HZ3 TRP 3 HZ3 TRP 3 6.861 7.569 2.283
28 HH2 TRP 3 HH2 TRP 3 8.279 8.309 4.124
29 H THR 4 HN THR 4 7.408 1.903 3.225
30 HA THR 4 HA THR 4 8.124 4.094 1.748
31 HB THR 4 HB THR 4 9.412 1.355 1.606
32 HG1 THR 4 HG1 THR 4 9.546 3.487 3.442
33 HG21 THR 4 HG21 THR 4 11.432 2.522 0.943
34 HG22 THR 4 HG22 THR 4 10.602 4.074 1.043
35 HG23 THR 4 HG23 THR 4 10.135 2.902 -0.190
36 H GLY 5 HN GLY 5 6.451 4.396 0.194
37 HA2 GLY 5 HA1 GLY 5 6.927 3.923 -2.400
38 HA3 GLY 5 HA2 GLY 5 6.112 2.442 -1.916
39 H LEU 6 HN LEU 6 5.225 5.423 -0.365
40 HA LEU 6 HA LEU 6 2.712 5.461 -1.908
41 HB2 LEU 6 HB2 LEU 6 1.795 6.644 0.133
42 HB3 LEU 6 HB1 LEU 6 2.166 4.943 0.325
43 HG LEU 6 HG LEU 6 4.354 5.643 1.363
44 HD11 LEU 6 HD11 LEU 6 3.029 8.346 1.410
45 HD12 LEU 6 HD12 LEU 6 4.496 7.912 0.531
46 HD13 LEU 6 HD13 LEU 6 4.491 7.904 2.296
47 HD21 LEU 6 HD21 LEU 6 1.882 6.572 2.802
48 HD22 LEU 6 HD22 LEU 6 3.415 6.081 3.534
49 HD23 LEU 6 HD23 LEU 6 2.418 4.895 2.682
50 H TYR 7 HN TYR 7 5.435 6.896 -2.116
51 HA TYR 7 HA TYR 7 4.317 9.556 -2.537
52 HB2 TYR 7 HB2 TYR 7 6.509 10.494 -1.685
53 HB3 TYR 7 HB1 TYR 7 5.449 9.777 -0.472
54 HD1 TYR 7 HD1 TYR 7 5.859 7.094 -0.291
55 HD2 TYR 7 HD2 TYR 7 8.756 10.009 -1.395
56 HE1 TYR 7 HE1 TYR 7 7.615 5.571 0.344
57 HE2 TYR 7 HE2 TYR 7 10.557 8.472 -0.721
58 HH TYR 7 HH TYR 7 10.856 6.522 0.757
59 H THR 8 HN THR 8 7.236 7.569 -3.117
60 HA THR 8 HA THR 8 7.571 8.971 -5.673
61 HB THR 8 HB THR 8 9.891 7.987 -5.650
62 HG1 THR 8 HG1 THR 8 9.128 6.423 -3.890
63 HG21 THR 8 HG21 THR 8 9.083 9.833 -3.401
64 HG22 THR 8 HG22 THR 8 9.550 10.299 -5.036
65 HG23 THR 8 HG23 THR 8 10.741 9.584 -3.949
66 H LEU 9 HN LEU 9 6.347 6.152 -4.519
67 HA LEU 9 HA LEU 9 6.869 4.783 -7.063
68 HB2 LEU 9 HB1 LEU 9 6.822 3.668 -4.290
69 HB3 LEU 9 HB2 LEU 9 6.420 2.650 -5.656
70 HG LEU 9 HG LEU 9 8.717 2.286 -5.090
71 HD11 LEU 9 HD11 LEU 9 9.830 2.862 -7.181
72 HD12 LEU 9 HD12 LEU 9 8.542 4.007 -7.557
73 HD13 LEU 9 HD13 LEU 9 8.189 2.281 -7.467
74 HD21 LEU 9 HD21 LEU 9 10.372 3.991 -4.954
75 HD22 LEU 9 HD22 LEU 9 9.027 4.465 -3.915
76 HD23 LEU 9 HD23 LEU 9 9.230 5.221 -5.495
77 H LEU 10 HN LEU 10 4.713 4.958 -4.335
78 HA LEU 10 HA LEU 10 2.462 4.908 -4.104
79 HB2 LEU 10 HB2 LEU 10 2.191 5.308 -7.060
80 HB3 LEU 10 HB1 LEU 10 1.131 5.864 -5.775
81 HG LEU 10 HG LEU 10 3.828 6.952 -6.556
82 HD11 LEU 10 HD11 LEU 10 1.103 8.218 -6.310
83 HD12 LEU 10 HD12 LEU 10 1.921 7.790 -7.813
84 HD13 LEU 10 HD13 LEU 10 2.588 9.049 -6.773
85 HD21 LEU 10 HD21 LEU 10 3.575 8.510 -4.631
86 HD22 LEU 10 HD22 LEU 10 3.893 6.837 -4.164
87 HD23 LEU 10 HD23 LEU 10 2.258 7.494 -4.044
88 H SER 11 HN SER 11 2.842 3.456 -7.345
89 HA SER 11 HA SER 11 0.944 1.445 -6.944
90 HB2 SER 11 HB2 SER 11 1.958 0.346 -8.912
91 HB3 SER 11 HB1 SER 11 1.734 2.076 -9.174
92 HG SER 11 HG SER 11 4.035 2.163 -8.353
93 H ARG 12 HN ARG 12 3.968 1.797 -5.544
94 HA ARG 12 HA ARG 12 4.603 -1.002 -5.277
95 HB2 ARG 12 HB1 ARG 12 6.344 0.770 -5.405
96 HB3 ARG 12 HB2 ARG 12 5.784 1.394 -3.862
97 HG2 ARG 12 HG1 ARG 12 6.407 -0.710 -2.783
98 HG3 ARG 12 HG2 ARG 12 6.978 -1.330 -4.335
99 HD2 ARG 12 HD2 ARG 12 8.634 0.455 -4.453
100 HD3 ARG 12 HD1 ARG 12 8.048 1.117 -2.927
101 HE ARG 12 HE ARG 12 8.758 -1.537 -2.473
102 HH11 ARG 12 HH11 ARG 12 10.289 1.460 -3.374
103 HH12 ARG 12 HH12 ARG 12 11.811 1.048 -2.657
104 HH21 ARG 12 HH21 ARG 12 12.077 -0.969 -1.606
105 HH22 ARG 12 HH22 ARG 12 10.758 -2.088 -1.525
106 H VAL 13 HN VAL 13 2.275 0.798 -3.984
107 HA VAL 13 HA VAL 13 2.066 -0.877 -1.615
108 HB VAL 13 HB VAL 13 1.854 2.135 -1.498
109 HG11 VAL 13 HG11 VAL 13 1.400 0.058 0.634
110 HG12 VAL 13 HG12 VAL 13 0.173 1.079 -0.114
111 HG13 VAL 13 HG13 VAL 13 1.427 1.802 0.894
112 HG21 VAL 13 HG21 VAL 13 3.734 1.985 0.073
113 HG22 VAL 13 HG22 VAL 13 4.165 1.379 -1.526
114 HG23 VAL 13 HG23 VAL 13 3.827 0.247 -0.216
115 H ASN 14 HN ASN 14 0.261 -1.914 -2.276
116 HA ASN 14 HA ASN 14 -1.845 -0.911 -3.766
117 HB2 ASN 14 HB2 ASN 14 -2.003 -3.025 -1.607
118 HB3 ASN 14 HB1 ASN 14 -3.158 -2.791 -2.916
119 HD21 ASN 14 HD21 ASN 14 0.381 -4.680 -3.552
120 HD22 ASN 14 HD22 ASN 14 0.071 -3.812 -2.091
121 H ARG 15 HN ARG 15 -2.550 1.102 -3.164
122 HA ARG 15 HA ARG 15 -3.112 1.925 -0.541
123 HB2 ARG 15 HB2 ARG 15 -2.782 3.493 -2.402
124 HB3 ARG 15 HB1 ARG 15 -4.280 2.942 -3.139
125 HG2 ARG 15 HG1 ARG 15 -5.546 3.793 -1.245
126 HG3 ARG 15 HG2 ARG 15 -4.049 4.311 -0.466
127 HD2 ARG 15 HD2 ARG 15 -5.103 5.314 -3.107
128 HD3 ARG 15 HD1 ARG 15 -5.177 6.177 -1.572
129 HE ARG 15 HE ARG 15 -2.507 5.482 -2.166
130 HH11 ARG 15 HH11 ARG 15 -5.034 7.674 -3.139
131 HH12 ARG 15 HH12 ARG 15 -3.938 8.899 -3.684
132 HH21 ARG 15 HH21 ARG 15 -1.056 7.090 -2.881
133 HH22 ARG 15 HH22 ARG 15 -1.677 8.567 -3.538
134 H HIS 16 HN HIS 16 -4.705 1.397 0.793
135 HA HIS 16 HA HIS 16 -6.890 -0.247 -0.118
136 HB2 HIS 16 HB1 HIS 16 -6.281 0.877 2.624
137 HB3 HIS 16 HB2 HIS 16 -7.526 -0.315 2.269
138 HD1 HIS 16 HD1 HIS 16 -3.914 0.042 2.915
139 HD2 HIS 16 HD2 HIS 16 -6.513 -2.893 1.538
140 HE1 HIS 16 HE1 HIS 16 -2.625 -2.114 3.050
141 HE2 HIS 16 HE2 HIS 16 -4.217 -3.877 2.212
142 H SER 17 HN SER 17 -9.053 0.262 -0.150
143 HA SER 17 HA SER 17 -10.851 1.580 -0.607
144 HB2 SER 17 HB2 SER 17 -11.458 3.174 1.134
145 HB3 SER 17 HB1 SER 17 -10.787 1.718 1.868
146 HG SER 17 HG SER 17 -9.988 4.194 2.215
147 H THR 18 HN THR 18 -11.346 4.291 -0.382
148 HA THR 18 HA THR 18 -9.538 5.356 -2.439
149 HB THR 18 HB THR 18 -11.854 5.250 -3.154
150 HG1 THR 18 HG1 THR 18 -10.541 7.123 -3.721
151 HG21 THR 18 HG21 THR 18 -13.605 6.542 -2.026
152 HG22 THR 18 HG22 THR 18 -12.458 7.000 -0.768
153 HG23 THR 18 HG23 THR 18 -12.931 5.312 -0.957
154 H ALA 19 HN ALA 19 -10.747 5.893 0.766
155 HA ALA 19 HA ALA 19 -9.271 8.441 0.894
156 HB1 ALA 19 HB1 ALA 19 -11.673 8.698 1.289
157 HB2 ALA 19 HB2 ALA 19 -10.734 9.085 2.731
158 HB3 ALA 19 HB3 ALA 19 -11.577 7.540 2.617
159 H ILE 20 HN ILE 20 -8.687 8.890 3.344
160 HA ILE 20 HA ILE 20 -7.034 6.625 4.162
161 HB ILE 20 HB ILE 20 -5.904 8.768 3.912
162 HG12 ILE 20 HG11 ILE 20 -6.128 8.015 6.836
163 HG13 ILE 20 HG12 ILE 20 -5.147 7.155 5.653
164 HG21 ILE 20 HG21 ILE 20 -6.408 10.653 5.389
165 HG22 ILE 20 HG22 ILE 20 -7.765 9.756 6.069
166 HG23 ILE 20 HG23 ILE 20 -7.789 10.239 4.374
167 HD11 ILE 20 HD11 ILE 20 -3.807 9.164 5.305
168 HD12 ILE 20 HD12 ILE 20 -3.791 8.648 6.992
169 HD13 ILE 20 HD13 ILE 20 -4.786 10.019 6.497
170 H GLY 21 HN GLY 21 -7.176 5.621 6.126
171 HA2 GLY 21 HA1 GLY 21 -9.680 5.970 7.555
172 HA3 GLY 21 HA2 GLY 21 -8.503 4.690 7.806
173 H ARG 22 HN ARG 22 -6.383 5.458 8.790
174 HA ARG 22 HA ARG 22 -6.690 7.751 10.563
175 HB2 ARG 22 HB2 ARG 22 -5.896 6.296 12.501
176 HB3 ARG 22 HB1 ARG 22 -7.570 6.107 11.999
177 HG2 ARG 22 HG2 ARG 22 -6.962 4.096 10.742
178 HG3 ARG 22 HG1 ARG 22 -5.287 4.282 11.268
179 HD2 ARG 22 HD2 ARG 22 -6.454 2.641 12.638
180 HD3 ARG 22 HD1 ARG 22 -5.987 4.045 13.595
181 HE ARG 22 HE ARG 22 -8.592 4.448 12.670
182 HH11 ARG 22 HH11 ARG 22 -8.213 2.076 15.875
183 HH12 ARG 22 HH12 ARG 22 -6.853 2.344 14.837
184 HH21 ARG 22 HH21 ARG 22 -10.222 3.075 15.418
185 HH22 ARG 22 HH22 ARG 22 -10.388 4.101 14.032
Start of MODEL 8
1 H1 ACE 0 HA1 ACE 0 1.467 1.074 10.495
2 H2 ACE 0 HA2 ACE 0 0.423 1.125 9.077
3 H3 ACE 0 HA3 ACE 0 0.274 2.392 10.293
4 H MET 1 HN MET 1 3.449 1.328 9.703
5 HA MET 1 HA MET 1 4.027 3.850 8.338
6 HB2 MET 1 HB1 MET 1 5.725 1.892 9.865
7 HB3 MET 1 HB2 MET 1 6.446 3.131 8.848
8 HG2 MET 1 HG1 MET 1 6.394 3.872 11.133
9 HG3 MET 1 HG2 MET 1 5.303 4.857 10.160
10 HE1 MET 1 HE1 MET 1 4.182 5.773 12.399
11 HE2 MET 1 HE2 MET 1 5.268 4.770 13.359
12 HE3 MET 1 HE3 MET 1 3.531 4.727 13.661
13 H ASN 2 HN ASN 2 2.894 1.369 7.055
14 HA ASN 2 HA ASN 2 4.943 0.268 5.409
15 HB2 ASN 2 HB1 ASN 2 2.753 -0.860 5.930
16 HB3 ASN 2 HB2 ASN 2 1.972 0.288 4.845
17 HD21 ASN 2 HD21 ASN 2 2.627 0.281 2.601
18 HD22 ASN 2 HD22 ASN 2 3.202 -1.182 1.885
19 H TRP 3 HN TRP 3 3.683 3.311 5.453
20 HA TRP 3 HA TRP 3 2.997 4.028 2.913
21 HB2 TRP 3 HB2 TRP 3 4.000 6.235 3.342
22 HB3 TRP 3 HB1 TRP 3 3.042 5.660 4.710
23 HD1 TRP 3 HD1 TRP 3 4.329 5.135 6.946
24 HE1 TRP 3 HE1 TRP 3 6.687 5.732 7.793
25 HE3 TRP 3 HE3 TRP 3 6.425 6.444 2.517
26 HZ2 TRP 3 HZ2 TRP 3 9.121 6.643 6.684
27 HZ3 TRP 3 HZ3 TRP 3 8.780 7.161 2.473
28 HH2 TRP 3 HH2 TRP 3 10.103 7.253 4.522
29 H THR 4 HN THR 4 6.085 3.014 4.078
30 HA THR 4 HA THR 4 7.992 4.011 2.548
31 HB THR 4 HB THR 4 7.613 1.018 2.735
32 HG1 THR 4 HG1 THR 4 8.702 2.891 4.586
33 HG21 THR 4 HG21 THR 4 9.407 1.699 1.222
34 HG22 THR 4 HG22 THR 4 10.066 0.960 2.683
35 HG23 THR 4 HG23 THR 4 10.101 2.712 2.488
36 H GLY 5 HN GLY 5 7.206 4.893 0.642
37 HA2 GLY 5 HA1 GLY 5 7.667 4.010 -1.759
38 HA3 GLY 5 HA2 GLY 5 6.233 3.048 -1.414
39 H LEU 6 HN LEU 6 5.847 5.875 0.221
40 HA LEU 6 HA LEU 6 3.859 6.815 -1.609
41 HB2 LEU 6 HB1 LEU 6 3.112 8.134 0.091
42 HB3 LEU 6 HB2 LEU 6 3.888 6.839 0.970
43 HG LEU 6 HG LEU 6 4.716 9.704 0.713
44 HD11 LEU 6 HD21 LEU 6 4.842 7.848 3.072
45 HD12 LEU 6 HD22 LEU 6 3.388 8.751 2.640
46 HD13 LEU 6 HD23 LEU 6 4.869 9.612 3.066
47 HD21 LEU 6 HD11 LEU 6 6.552 7.378 0.946
48 HD22 LEU 6 HD12 LEU 6 6.874 8.804 1.933
49 HD23 LEU 6 HD13 LEU 6 6.802 8.946 0.175
50 H TYR 7 HN TYR 7 6.836 6.987 -2.223
51 HA TYR 7 HA TYR 7 6.802 9.776 -3.095
52 HB2 TYR 7 HB1 TYR 7 9.331 9.711 -2.859
53 HB3 TYR 7 HB2 TYR 7 8.400 9.761 -1.367
54 HD1 TYR 7 HD1 TYR 7 7.676 7.230 -0.619
55 HD2 TYR 7 HD2 TYR 7 11.185 8.330 -2.759
56 HE1 TYR 7 HE1 TYR 7 8.761 5.221 0.155
57 HE2 TYR 7 HE2 TYR 7 12.307 6.285 -1.965
58 HH TYR 7 HH TYR 7 10.622 3.731 -0.487
59 H THR 8 HN THR 8 7.743 6.472 -3.788
60 HA THR 8 HA THR 8 7.871 7.156 -6.627
61 HB THR 8 HB THR 8 9.912 5.861 -6.988
62 HG1 THR 8 HG1 THR 8 9.418 4.802 -4.709
63 HG21 THR 8 HG21 THR 8 10.141 8.266 -6.610
64 HG22 THR 8 HG22 THR 8 11.526 7.394 -5.955
65 HG23 THR 8 HG23 THR 8 10.268 7.989 -4.873
66 H LEU 9 HN LEU 9 6.389 5.426 -4.441
67 HA LEU 9 HA LEU 9 5.849 3.228 -6.281
68 HB2 LEU 9 HB1 LEU 9 6.560 2.805 -3.384
69 HB3 LEU 9 HB2 LEU 9 5.952 1.567 -4.463
70 HG LEU 9 HG LEU 9 8.549 3.048 -4.885
71 HD11 LEU 9 HD21 LEU 9 9.630 0.993 -4.122
72 HD12 LEU 9 HD22 LEU 9 8.052 0.316 -3.723
73 HD13 LEU 9 HD23 LEU 9 8.651 1.726 -2.851
74 HD21 LEU 9 HD11 LEU 9 7.400 0.583 -6.187
75 HD22 LEU 9 HD12 LEU 9 9.007 1.249 -6.482
76 HD23 LEU 9 HD13 LEU 9 7.573 2.171 -6.933
77 H LEU 10 HN LEU 10 4.562 5.688 -4.964
78 HA LEU 10 HA LEU 10 2.541 5.221 -3.253
79 HB2 LEU 10 HB1 LEU 10 2.382 6.808 -5.812
80 HB3 LEU 10 HB2 LEU 10 1.215 6.912 -4.509
81 HG LEU 10 HG LEU 10 3.112 7.647 -3.011
82 HD11 LEU 10 HD21 LEU 10 5.114 7.101 -3.960
83 HD12 LEU 10 HD22 LEU 10 4.963 8.774 -4.507
84 HD13 LEU 10 HD23 LEU 10 4.554 7.452 -5.600
85 HD21 LEU 10 HD11 LEU 10 3.087 9.946 -3.841
86 HD22 LEU 10 HD12 LEU 10 1.483 9.215 -3.910
87 HD23 LEU 10 HD13 LEU 10 2.440 9.380 -5.382
88 H SER 11 HN SER 11 1.982 5.003 -6.767
89 HA SER 11 HA SER 11 -0.385 3.413 -6.372
90 HB2 SER 11 HB1 SER 11 -0.221 5.038 -8.230
91 HB3 SER 11 HB2 SER 11 1.094 4.093 -8.929
92 HG SER 11 HG SER 11 -1.073 3.690 -9.792
93 H ARG 12 HN ARG 12 2.261 2.435 -5.482
94 HA ARG 12 HA ARG 12 2.178 -0.186 -6.779
95 HB2 ARG 12 HB2 ARG 12 4.692 1.362 -6.119
96 HB3 ARG 12 HB1 ARG 12 4.646 -0.290 -6.724
97 HG2 ARG 12 HG2 ARG 12 3.781 0.428 -8.827
98 HG3 ARG 12 HG1 ARG 12 3.539 2.069 -8.226
99 HD2 ARG 12 HD1 ARG 12 5.960 2.316 -7.936
100 HD3 ARG 12 HD2 ARG 12 6.196 0.678 -8.546
101 HE ARG 12 HE ARG 12 4.755 2.137 -10.452
102 HH11 ARG 12 HH11 ARG 12 8.725 2.662 -10.437
103 HH12 ARG 12 HH12 ARG 12 7.934 2.033 -9.030
104 HH21 ARG 12 HH21 ARG 12 5.788 2.964 -12.308
105 HH22 ARG 12 HH22 ARG 12 7.505 3.191 -12.301
106 H VAL 13 HN VAL 13 1.646 1.403 -4.075
107 HA VAL 13 HA VAL 13 3.144 -0.168 -2.183
108 HB VAL 13 HB VAL 13 0.782 1.624 -1.622
109 HG11 VAL 13 HG11 VAL 13 1.863 1.816 0.612
110 HG12 VAL 13 HG12 VAL 13 2.992 0.555 0.118
111 HG13 VAL 13 HG13 VAL 13 1.268 0.199 0.231
112 HG21 VAL 13 HG21 VAL 13 2.481 3.350 -1.065
113 HG22 VAL 13 HG22 VAL 13 2.417 2.943 -2.778
114 HG23 VAL 13 HG23 VAL 13 3.713 2.304 -1.768
115 H ASN 14 HN ASN 14 0.550 -0.781 -4.073
116 HA ASN 14 HA ASN 14 -1.135 -2.309 -4.094
117 HB2 ASN 14 HB1 ASN 14 0.658 -3.692 -2.088
118 HB3 ASN 14 HB2 ASN 14 -0.675 -4.450 -2.953
119 HD21 ASN 14 HD21 ASN 14 2.906 -3.826 -4.747
120 HD22 ASN 14 HD22 ASN 14 2.537 -3.159 -3.197
121 H ARG 15 HN ARG 15 -2.748 -1.003 -3.219
122 HA ARG 15 HA ARG 15 -3.188 -1.170 -0.328
123 HB2 ARG 15 HB1 ARG 15 -4.525 0.566 -2.412
124 HB3 ARG 15 HB2 ARG 15 -4.840 0.627 -0.683
125 HG2 ARG 15 HG2 ARG 15 -2.532 1.309 -0.280
126 HG3 ARG 15 HG1 ARG 15 -2.210 1.243 -2.014
127 HD2 ARG 15 HD2 ARG 15 -4.204 3.046 -0.648
128 HD3 ARG 15 HD1 ARG 15 -2.629 3.532 -1.274
129 HE ARG 15 HE ARG 15 -4.078 2.349 -3.353
130 HH11 ARG 15 HH11 ARG 15 -4.161 5.200 -1.351
131 HH12 ARG 15 HH12 ARG 15 -4.939 6.177 -2.551
132 HH21 ARG 15 HH21 ARG 15 -5.103 3.628 -4.939
133 HH22 ARG 15 HH22 ARG 15 -5.474 5.283 -4.590
134 H HIS 16 HN HIS 16 -5.193 -1.310 -3.279
135 HA HIS 16 HA HIS 16 -7.180 -2.895 -1.879
136 HB2 HIS 16 HB2 HIS 16 -8.467 -2.710 -3.985
137 HB3 HIS 16 HB1 HIS 16 -7.965 -1.140 -3.366
138 HD1 HIS 16 HD1 HIS 16 -6.391 0.250 -4.806
139 HD2 HIS 16 HD2 HIS 16 -7.153 -3.527 -6.365
140 HE1 HIS 16 HE1 HIS 16 -5.469 0.290 -7.146
141 HE2 HIS 16 HE2 HIS 16 -5.940 -2.007 -8.071
142 H SER 17 HN SER 17 -4.349 -3.772 -2.892
143 HA SER 17 HA SER 17 -4.686 -5.775 -4.818
144 HB2 SER 17 HB1 SER 17 -2.561 -6.698 -3.959
145 HB3 SER 17 HB2 SER 17 -2.477 -4.948 -4.161
146 HG SER 17 HG SER 17 -3.290 -5.213 -1.746
147 H THR 18 HN THR 18 -5.495 -7.774 -4.764
148 HA THR 18 HA THR 18 -6.532 -9.660 -4.029
149 HB THR 18 HB THR 18 -4.958 -9.193 -1.487
150 HG1 THR 18 HG1 THR 18 -4.185 -9.898 -3.976
151 HG21 THR 18 HG21 THR 18 -6.780 -10.790 -1.180
152 HG22 THR 18 HG22 THR 18 -5.221 -11.613 -1.157
153 HG23 THR 18 HG23 THR 18 -6.240 -11.695 -2.594
154 H ALA 19 HN ALA 19 -8.650 -9.095 -3.931
155 HA ALA 19 HA ALA 19 -9.663 -7.675 -1.594
156 HB1 ALA 19 HB1 ALA 19 -11.764 -7.540 -2.820
157 HB2 ALA 19 HB2 ALA 19 -11.104 -8.576 -4.087
158 HB3 ALA 19 HB3 ALA 19 -10.421 -6.973 -3.813
159 H ILE 20 HN ILE 20 -11.592 -8.474 -0.480
160 HA ILE 20 HA ILE 20 -11.317 -11.296 0.124
161 HB ILE 20 HB ILE 20 -13.167 -9.251 1.358
162 HG12 ILE 20 HG12 ILE 20 -10.816 -8.634 1.667
163 HG13 ILE 20 HG11 ILE 20 -11.527 -9.157 3.190
164 HG21 ILE 20 HG21 ILE 20 -13.945 -11.520 1.700
165 HG22 ILE 20 HG22 ILE 20 -13.322 -10.860 3.212
166 HG23 ILE 20 HG23 ILE 20 -12.352 -12.003 2.284
167 HD11 ILE 20 HD11 ILE 20 -10.458 -11.336 2.941
168 HD12 ILE 20 HD12 ILE 20 -9.281 -10.022 2.929
169 HD13 ILE 20 HD13 ILE 20 -9.742 -10.807 1.419
170 H GLY 21 HN GLY 21 -12.689 -12.878 -0.455
171 HA2 GLY 21 HA1 GLY 21 -15.377 -12.837 -0.863
172 HA3 GLY 21 HA2 GLY 21 -14.729 -12.287 -2.402
173 H ARG 22 HN ARG 22 -15.613 -14.147 -3.412
174 HA ARG 22 HA ARG 22 -14.426 -16.718 -2.668
175 HB2 ARG 22 HB2 ARG 22 -16.867 -16.629 -2.990
176 HB3 ARG 22 HB1 ARG 22 -16.626 -16.089 -4.646
177 HG2 ARG 22 HG1 ARG 22 -17.155 -18.433 -4.628
178 HG3 ARG 22 HG2 ARG 22 -15.481 -18.213 -5.144
179 HD2 ARG 22 HD2 ARG 22 -15.692 -20.078 -3.580
180 HD3 ARG 22 HD1 ARG 22 -14.701 -18.782 -2.909
181 HE ARG 22 HE ARG 22 -17.402 -18.485 -2.115
182 HH11 ARG 22 HH11 ARG 22 -14.554 -20.395 -1.503
183 HH12 ARG 22 HH12 ARG 22 -14.995 -20.766 0.130
184 HH21 ARG 22 HH21 ARG 22 -16.949 -19.954 1.004
185 HH22 ARG 22 HH22 ARG 22 -17.993 -18.967 0.034
Start of MODEL 9
1 H1 ACE 0 HA1 ACE 0 3.776 0.491 12.806
2 H2 ACE 0 HA2 ACE 0 3.349 -0.943 11.875
3 H3 ACE 0 HA3 ACE 0 2.068 -0.027 12.668
4 H MET 1 HN MET 1 4.817 1.330 10.949
5 HA MET 1 HA MET 1 2.944 2.703 9.174
6 HB2 MET 1 HB2 MET 1 4.894 4.118 8.590
7 HB3 MET 1 HB1 MET 1 4.538 4.125 10.310
8 HG2 MET 1 HG2 MET 1 6.342 2.476 10.652
9 HG3 MET 1 HG1 MET 1 6.728 2.587 8.935
10 HE1 MET 1 HE1 MET 1 9.260 3.178 9.541
11 HE2 MET 1 HE2 MET 1 8.860 3.046 11.254
12 HE3 MET 1 HE3 MET 1 9.714 4.468 10.655
13 H ASN 2 HN ASN 2 2.642 2.076 7.140
14 HA ASN 2 HA ASN 2 4.712 0.403 5.875
15 HB2 ASN 2 HB1 ASN 2 2.554 -0.790 6.488
16 HB3 ASN 2 HB2 ASN 2 1.757 0.217 5.283
17 HD21 ASN 2 HD21 ASN 2 2.392 0.000 3.073
18 HD22 ASN 2 HD22 ASN 2 3.098 -1.470 2.506
19 H TRP 3 HN TRP 3 3.598 3.407 5.823
20 HA TRP 3 HA TRP 3 2.715 4.016 3.288
21 HB2 TRP 3 HB2 TRP 3 3.788 6.219 3.554
22 HB3 TRP 3 HB1 TRP 3 2.895 5.732 4.999
23 HD1 TRP 3 HD1 TRP 3 4.297 5.245 7.176
24 HE1 TRP 3 HE1 TRP 3 6.710 5.824 7.866
25 HE3 TRP 3 HE3 TRP 3 6.158 6.370 2.591
26 HZ2 TRP 3 HZ2 TRP 3 9.088 6.648 6.594
27 HZ3 TRP 3 HZ3 TRP 3 8.521 7.037 2.392
28 HH2 TRP 3 HH2 TRP 3 9.960 7.169 4.361
29 H THR 4 HN THR 4 5.776 2.838 4.275
30 HA THR 4 HA THR 4 7.642 3.750 2.608
31 HB THR 4 HB THR 4 7.157 0.784 2.941
32 HG1 THR 4 HG1 THR 4 8.546 2.632 4.614
33 HG21 THR 4 HG21 THR 4 8.858 1.326 1.272
34 HG22 THR 4 HG22 THR 4 9.594 0.612 2.708
35 HG23 THR 4 HG23 THR 4 9.690 2.353 2.441
36 H GLY 5 HN GLY 5 6.812 4.584 0.717
37 HA2 GLY 5 HA1 GLY 5 7.037 3.706 -1.677
38 HA3 GLY 5 HA2 GLY 5 5.681 2.679 -1.216
39 H LEU 6 HN LEU 6 5.975 5.914 -0.001
40 HA LEU 6 HA LEU 6 3.629 6.706 -1.580
41 HB2 LEU 6 HB2 LEU 6 2.876 7.894 0.214
42 HB3 LEU 6 HB1 LEU 6 3.788 6.662 1.052
43 HG LEU 6 HG LEU 6 4.447 9.570 0.703
44 HD11 LEU 6 HD21 LEU 6 4.631 7.807 3.132
45 HD12 LEU 6 HD22 LEU 6 3.153 8.653 2.667
46 HD13 LEU 6 HD23 LEU 6 4.608 9.569 3.061
47 HD21 LEU 6 HD11 LEU 6 6.368 7.325 1.044
48 HD22 LEU 6 HD12 LEU 6 6.635 8.812 1.952
49 HD23 LEU 6 HD13 LEU 6 6.559 8.857 0.190
50 H TYR 7 HN TYR 7 6.636 6.825 -2.122
51 HA TYR 7 HA TYR 7 6.703 9.623 -2.948
52 HB2 TYR 7 HB2 TYR 7 9.205 9.528 -2.525
53 HB3 TYR 7 HB1 TYR 7 8.169 9.553 -1.103
54 HD1 TYR 7 HD1 TYR 7 7.364 6.986 -0.499
55 HD2 TYR 7 HD2 TYR 7 11.045 8.139 -2.294
56 HE1 TYR 7 HE1 TYR 7 8.369 4.935 0.283
57 HE2 TYR 7 HE2 TYR 7 12.087 6.058 -1.486
58 HH TYR 7 HH TYR 7 10.271 3.461 -0.254
59 H THR 8 HN THR 8 8.437 6.543 -3.465
60 HA THR 8 HA THR 8 8.695 7.281 -6.309
61 HB THR 8 HB THR 8 10.591 5.703 -6.395
62 HG1 THR 8 HG1 THR 8 9.649 4.637 -4.337
63 HG21 THR 8 HG21 THR 8 10.804 7.828 -4.258
64 HG22 THR 8 HG22 THR 8 11.069 8.049 -5.988
65 HG23 THR 8 HG23 THR 8 12.173 7.046 -5.047
66 H LEU 9 HN LEU 9 6.492 5.774 -4.798
67 HA LEU 9 HA LEU 9 6.332 3.593 -6.720
68 HB2 LEU 9 HB2 LEU 9 5.972 3.251 -3.759
69 HB3 LEU 9 HB1 LEU 9 5.550 2.039 -4.955
70 HG LEU 9 HG LEU 9 8.344 3.127 -4.634
71 HD11 LEU 9 HD21 LEU 9 7.703 2.087 -2.553
72 HD12 LEU 9 HD22 LEU 9 8.845 1.060 -3.418
73 HD13 LEU 9 HD23 LEU 9 7.127 0.661 -3.414
74 HD21 LEU 9 HD11 LEU 9 8.955 1.074 -5.841
75 HD22 LEU 9 HD12 LEU 9 7.902 2.122 -6.790
76 HD23 LEU 9 HD13 LEU 9 7.243 0.683 -6.011
77 H LEU 10 HN LEU 10 4.632 5.036 -4.026
78 HA LEU 10 HA LEU 10 2.391 5.325 -3.620
79 HB2 LEU 10 HB2 LEU 10 2.756 6.605 -6.321
80 HB3 LEU 10 HB1 LEU 10 1.386 6.888 -5.262
81 HG LEU 10 HG LEU 10 3.003 7.724 -3.532
82 HD11 LEU 10 HD21 LEU 10 5.215 8.517 -4.575
83 HD12 LEU 10 HD22 LEU 10 4.918 7.265 -5.781
84 HD13 LEU 10 HD23 LEU 10 5.071 6.830 -4.076
85 HD21 LEU 10 HD11 LEU 10 2.962 9.185 -6.169
86 HD22 LEU 10 HD12 LEU 10 3.324 9.902 -4.599
87 HD23 LEU 10 HD13 LEU 10 1.715 9.256 -4.924
88 H SER 11 HN SER 11 1.900 5.126 -7.102
89 HA SER 11 HA SER 11 -0.347 3.426 -6.822
90 HB2 SER 11 HB2 SER 11 -0.110 4.990 -8.703
91 HB3 SER 11 HB1 SER 11 1.273 4.071 -9.298
92 HG SER 11 HG SER 11 -1.212 2.814 -8.885
93 H ARG 12 HN ARG 12 2.795 2.681 -6.388
94 HA ARG 12 HA ARG 12 2.560 -0.022 -7.519
95 HB2 ARG 12 HB1 ARG 12 5.055 1.335 -6.488
96 HB3 ARG 12 HB2 ARG 12 4.966 -0.169 -7.391
97 HG2 ARG 12 HG2 ARG 12 4.257 1.003 -9.370
98 HG3 ARG 12 HG1 ARG 12 4.170 2.524 -8.477
99 HD2 ARG 12 HD2 ARG 12 6.219 2.444 -9.762
100 HD3 ARG 12 HD1 ARG 12 6.589 2.385 -8.039
101 HE ARG 12 HE ARG 12 6.401 -0.237 -9.030
102 HH11 ARG 12 HH11 ARG 12 8.460 2.567 -9.230
103 HH12 ARG 12 HH12 ARG 12 9.897 1.649 -9.534
104 HH21 ARG 12 HH21 ARG 12 8.288 -1.453 -9.430
105 HH22 ARG 12 HH22 ARG 12 9.799 -0.636 -9.648
106 H VAL 13 HN VAL 13 1.565 1.263 -4.898
107 HA VAL 13 HA VAL 13 2.654 -0.797 -3.101
108 HB VAL 13 HB VAL 13 1.616 1.888 -2.211
109 HG11 VAL 13 HG11 VAL 13 3.185 -0.276 -0.832
110 HG12 VAL 13 HG12 VAL 13 1.536 0.241 -0.481
111 HG13 VAL 13 HG13 VAL 13 2.890 1.326 -0.154
112 HG21 VAL 13 HG21 VAL 13 4.456 1.042 -2.758
113 HG22 VAL 13 HG22 VAL 13 3.995 2.503 -1.886
114 HG23 VAL 13 HG23 VAL 13 3.547 2.310 -3.580
115 H ASN 14 HN ASN 14 0.968 -2.229 -3.627
116 HA ASN 14 HA ASN 14 -1.748 -1.675 -3.661
117 HB2 ASN 14 HB2 ASN 14 -1.904 -4.170 -2.861
118 HB3 ASN 14 HB1 ASN 14 -1.260 -3.788 -4.454
119 HD21 ASN 14 HD21 ASN 14 1.727 -4.403 -1.775
120 HD22 ASN 14 HD22 ASN 14 0.547 -3.166 -1.541
121 H ARG 15 HN ARG 15 -2.525 -0.379 -2.071
122 HA ARG 15 HA ARG 15 -1.891 -0.419 0.623
123 HB2 ARG 15 HB2 ARG 15 -3.159 1.388 -0.457
124 HB3 ARG 15 HB1 ARG 15 -4.541 0.314 -0.637
125 HG2 ARG 15 HG1 ARG 15 -4.744 0.152 1.786
126 HG3 ARG 15 HG2 ARG 15 -3.343 1.207 1.979
127 HD2 ARG 15 HD1 ARG 15 -4.540 3.003 0.824
128 HD3 ARG 15 HD2 ARG 15 -5.941 1.949 0.638
129 HE ARG 15 HE ARG 15 -5.350 2.040 3.347
130 HH11 ARG 15 HH11 ARG 15 -7.202 5.291 1.922
131 HH12 ARG 15 HH12 ARG 15 -6.347 4.245 0.840
132 HH21 ARG 15 HH21 ARG 15 -6.472 3.413 4.780
133 HH22 ARG 15 HH22 ARG 15 -7.274 4.819 4.162
134 H HIS 16 HN HIS 16 -4.228 -2.354 -1.157
135 HA HIS 16 HA HIS 16 -5.059 -3.677 1.322
136 HB2 HIS 16 HB1 HIS 16 -6.179 -3.896 -1.480
137 HB3 HIS 16 HB2 HIS 16 -6.829 -4.706 -0.060
138 HD1 HIS 16 HD1 HIS 16 -6.902 -1.519 -1.889
139 HD2 HIS 16 HD2 HIS 16 -8.024 -2.923 1.858
140 HE1 HIS 16 HE1 HIS 16 -8.433 0.237 -0.944
141 HE2 HIS 16 HE2 HIS 16 -9.102 -0.633 1.324
142 H SER 17 HN SER 17 -4.797 -5.058 -1.929
143 HA SER 17 HA SER 17 -2.587 -6.757 -1.194
144 HB2 SER 17 HB1 SER 17 -5.325 -7.969 -1.647
145 HB3 SER 17 HB2 SER 17 -3.819 -8.880 -1.529
146 HG SER 17 HG SER 17 -3.659 -8.366 0.588
147 H THR 18 HN THR 18 -5.268 -7.338 -3.447
148 HA THR 18 HA THR 18 -3.749 -6.409 -5.715
149 HB THR 18 HB THR 18 -4.372 -9.361 -5.488
150 HG1 THR 18 HG1 THR 18 -2.504 -8.753 -4.307
151 HG21 THR 18 HG21 THR 18 -3.047 -7.785 -7.699
152 HG22 THR 18 HG22 THR 18 -4.647 -8.523 -7.767
153 HG23 THR 18 HG23 THR 18 -3.211 -9.540 -7.645
154 H ALA 19 HN ALA 19 -6.281 -8.878 -5.267
155 HA ALA 19 HA ALA 19 -8.231 -7.068 -6.488
156 HB1 ALA 19 HB1 ALA 19 -8.995 -8.776 -8.047
157 HB2 ALA 19 HB2 ALA 19 -7.736 -9.873 -7.480
158 HB3 ALA 19 HB3 ALA 19 -7.296 -8.390 -8.327
159 H ILE 20 HN ILE 20 -10.442 -8.419 -6.594
160 HA ILE 20 HA ILE 20 -10.827 -9.459 -3.868
161 HB ILE 20 HB ILE 20 -12.899 -8.313 -5.746
162 HG12 ILE 20 HG11 ILE 20 -11.658 -7.079 -3.276
163 HG13 ILE 20 HG12 ILE 20 -11.231 -6.648 -4.929
164 HG21 ILE 20 HG21 ILE 20 -14.352 -8.316 -3.769
165 HG22 ILE 20 HG22 ILE 20 -13.076 -9.102 -2.840
166 HG23 ILE 20 HG23 ILE 20 -13.825 -9.944 -4.198
167 HD11 ILE 20 HD11 ILE 20 -13.933 -6.300 -3.652
168 HD12 ILE 20 HD12 ILE 20 -13.519 -5.884 -5.315
169 HD13 ILE 20 HD13 ILE 20 -12.754 -5.028 -3.975
170 H GLY 21 HN GLY 21 -11.631 -11.460 -3.535
171 HA2 GLY 21 HA2 GLY 21 -12.758 -13.448 -4.027
172 HA3 GLY 21 HA1 GLY 21 -12.946 -12.904 -5.688
173 H ARG 22 HN ARG 22 -11.596 -15.240 -3.917
174 HA ARG 22 HA ARG 22 -9.796 -16.013 -6.011
175 HB2 ARG 22 HB2 ARG 22 -8.365 -14.459 -4.742
176 HB3 ARG 22 HB1 ARG 22 -8.645 -15.398 -3.282
177 HG2 ARG 22 HG1 ARG 22 -7.539 -17.320 -4.292
178 HG3 ARG 22 HG2 ARG 22 -7.275 -16.394 -5.772
179 HD2 ARG 22 HD1 ARG 22 -5.266 -16.435 -4.390
180 HD3 ARG 22 HD2 ARG 22 -5.904 -14.798 -4.539
181 HE ARG 22 HE ARG 22 -6.923 -16.031 -2.211
182 HH11 ARG 22 HH11 ARG 22 -3.385 -14.173 -1.961
183 HH12 ARG 22 HH12 ARG 22 -4.003 -14.641 -3.509
184 HH21 ARG 22 HH21 ARG 22 -6.117 -15.419 -0.168
185 HH22 ARG 22 HH22 ARG 22 -4.587 -14.614 -0.062
Start of MODEL 10
1 H1 ACE 0 HA1 ACE 0 2.384 0.184 12.568
2 H2 ACE 0 HA2 ACE 0 2.886 1.521 13.599
3 H3 ACE 0 HA3 ACE 0 4.117 0.585 12.755
4 H MET 1 HN MET 1 4.668 1.106 10.724
5 HA MET 1 HA MET 1 2.990 2.958 9.218
6 HB2 MET 1 HB2 MET 1 4.972 4.398 8.709
7 HB3 MET 1 HB1 MET 1 4.436 4.479 10.380
8 HG2 MET 1 HG2 MET 1 6.703 2.738 9.459
9 HG3 MET 1 HG1 MET 1 6.915 4.393 10.023
10 HE1 MET 1 HE1 MET 1 8.298 2.244 13.001
11 HE2 MET 1 HE2 MET 1 8.653 3.538 11.855
12 HE3 MET 1 HE3 MET 1 8.432 1.885 11.280
13 H ASN 2 HN ASN 2 2.761 2.180 7.240
14 HA ASN 2 HA ASN 2 5.030 0.756 6.016
15 HB2 ASN 2 HB1 ASN 2 2.984 -0.662 6.793
16 HB3 ASN 2 HB2 ASN 2 2.190 0.022 5.378
17 HD21 ASN 2 HD21 ASN 2 4.813 0.105 3.929
18 HD22 ASN 2 HD22 ASN 2 5.083 -1.523 3.427
19 H TRP 3 HN TRP 3 3.956 3.571 5.854
20 HA TRP 3 HA TRP 3 2.745 3.944 3.337
21 HB2 TRP 3 HB2 TRP 3 3.597 6.266 3.480
22 HB3 TRP 3 HB1 TRP 3 2.734 5.755 4.932
23 HD1 TRP 3 HD1 TRP 3 4.119 5.566 7.151
24 HE1 TRP 3 HE1 TRP 3 6.436 6.436 7.856
25 HE3 TRP 3 HE3 TRP 3 6.009 6.570 2.543
26 HZ2 TRP 3 HZ2 TRP 3 8.756 7.418 6.590
27 HZ3 TRP 3 HZ3 TRP 3 8.291 7.467 2.360
28 HH2 TRP 3 HH2 TRP 3 9.641 7.875 4.350
29 H THR 4 HN THR 4 5.930 3.224 4.326
30 HA THR 4 HA THR 4 7.683 4.266 2.654
31 HB THR 4 HB THR 4 7.493 1.278 3.086
32 HG1 THR 4 HG1 THR 4 8.018 3.351 4.778
33 HG21 THR 4 HG21 THR 4 9.932 1.313 2.799
34 HG22 THR 4 HG22 THR 4 9.862 3.040 2.442
35 HG23 THR 4 HG23 THR 4 9.105 1.882 1.348
36 H GLY 5 HN GLY 5 6.694 4.987 0.738
37 HA2 GLY 5 HA1 GLY 5 7.181 3.784 -1.598
38 HA3 GLY 5 HA2 GLY 5 5.660 3.033 -1.136
39 H LEU 6 HN LEU 6 5.355 5.961 0.194
40 HA LEU 6 HA LEU 6 3.644 6.919 -1.897
41 HB2 LEU 6 HB1 LEU 6 3.427 8.910 -0.321
42 HB3 LEU 6 HB2 LEU 6 2.837 7.356 0.231
43 HG LEU 6 HG LEU 6 4.998 7.069 1.471
44 HD11 LEU 6 HD11 LEU 6 6.377 8.630 0.223
45 HD12 LEU 6 HD12 LEU 6 6.342 9.057 1.934
46 HD13 LEU 6 HD13 LEU 6 5.377 9.975 0.776
47 HD21 LEU 6 HD21 LEU 6 2.947 7.800 2.588
48 HD22 LEU 6 HD22 LEU 6 3.381 9.479 2.260
49 HD23 LEU 6 HD23 LEU 6 4.395 8.495 3.321
50 H TYR 7 HN TYR 7 6.720 6.877 -2.096
51 HA TYR 7 HA TYR 7 6.925 9.544 -3.257
52 HB2 TYR 7 HB1 TYR 7 9.326 9.598 -2.491
53 HB3 TYR 7 HB2 TYR 7 8.120 9.734 -1.215
54 HD1 TYR 7 HD1 TYR 7 7.311 7.227 -0.435
55 HD2 TYR 7 HD2 TYR 7 11.161 8.322 -1.882
56 HE1 TYR 7 HE1 TYR 7 8.264 5.319 0.683
57 HE2 TYR 7 HE2 TYR 7 12.145 6.383 -0.727
58 HH TYR 7 HH TYR 7 11.607 4.899 1.165
59 H THR 8 HN THR 8 7.669 6.173 -3.439
60 HA THR 8 HA THR 8 8.600 6.561 -6.181
61 HB THR 8 HB THR 8 10.480 5.047 -5.938
62 HG1 THR 8 HG1 THR 8 9.302 4.098 -3.925
63 HG21 THR 8 HG21 THR 8 10.513 7.257 -3.878
64 HG22 THR 8 HG22 THR 8 10.975 7.391 -5.574
65 HG23 THR 8 HG23 THR 8 11.942 6.411 -4.473
66 H LEU 9 HN LEU 9 6.470 5.142 -4.249
67 HA LEU 9 HA LEU 9 6.111 2.894 -6.075
68 HB2 LEU 9 HB2 LEU 9 6.018 2.599 -3.081
69 HB3 LEU 9 HB1 LEU 9 5.636 1.348 -4.245
70 HG LEU 9 HG LEU 9 8.355 2.633 -3.977
71 HD11 LEU 9 HD21 LEU 9 7.351 -0.000 -2.918
72 HD12 LEU 9 HD22 LEU 9 7.788 1.411 -1.955
73 HD13 LEU 9 HD23 LEU 9 9.023 0.556 -2.879
74 HD21 LEU 9 HD11 LEU 9 7.457 0.156 -5.445
75 HD22 LEU 9 HD12 LEU 9 9.106 0.775 -5.350
76 HD23 LEU 9 HD13 LEU 9 7.863 1.701 -6.192
77 H LEU 10 HN LEU 10 4.820 5.566 -4.975
78 HA LEU 10 HA LEU 10 2.312 5.022 -3.952
79 HB2 LEU 10 HB1 LEU 10 1.691 7.128 -5.445
80 HB3 LEU 10 HB2 LEU 10 2.628 7.258 -3.970
81 HG LEU 10 HG LEU 10 4.081 6.899 -6.553
82 HD11 LEU 10 HD11 LEU 10 2.444 8.636 -7.040
83 HD12 LEU 10 HD12 LEU 10 4.068 9.314 -6.915
84 HD13 LEU 10 HD13 LEU 10 2.928 9.508 -5.585
85 HD21 LEU 10 HD21 LEU 10 5.016 7.034 -4.092
86 HD22 LEU 10 HD22 LEU 10 4.836 8.768 -4.366
87 HD23 LEU 10 HD23 LEU 10 5.857 7.809 -5.435
88 H SER 11 HN SER 11 0.314 4.520 -4.812
89 HA SER 11 HA SER 11 -1.159 3.499 -6.221
90 HB2 SER 11 HB2 SER 11 -0.884 5.549 -7.568
91 HB3 SER 11 HB1 SER 11 0.504 4.826 -8.382
92 HG SER 11 HG SER 11 -1.917 3.430 -8.391
93 H ARG 12 HN ARG 12 1.786 2.579 -5.712
94 HA ARG 12 HA ARG 12 1.608 0.177 -7.376
95 HB2 ARG 12 HB1 ARG 12 3.299 1.510 -8.428
96 HB3 ARG 12 HB2 ARG 12 4.027 1.915 -6.884
97 HG2 ARG 12 HG2 ARG 12 4.574 -0.552 -6.659
98 HG3 ARG 12 HG1 ARG 12 4.137 -0.690 -8.363
99 HD2 ARG 12 HD1 ARG 12 5.810 1.037 -8.904
100 HD3 ARG 12 HD2 ARG 12 6.270 1.106 -7.202
101 HE ARG 12 HE ARG 12 6.494 -1.545 -8.039
102 HH11 ARG 12 HH11 ARG 12 7.970 1.544 -8.687
103 HH12 ARG 12 HH12 ARG 12 9.508 0.866 -9.104
104 HH21 ARG 12 HH21 ARG 12 8.515 -2.445 -8.587
105 HH22 ARG 12 HH22 ARG 12 9.818 -1.401 -9.048
106 H VAL 13 HN VAL 13 1.694 1.513 -4.381
107 HA VAL 13 HA VAL 13 3.322 -0.338 -2.962
108 HB VAL 13 HB VAL 13 1.073 1.329 -1.841
109 HG11 VAL 13 HG11 VAL 13 2.460 1.250 0.222
110 HG12 VAL 13 HG12 VAL 13 3.508 0.083 -0.587
111 HG13 VAL 13 HG13 VAL 13 1.817 -0.316 -0.276
112 HG21 VAL 13 HG21 VAL 13 2.842 2.996 -1.318
113 HG22 VAL 13 HG22 VAL 13 2.522 2.812 -3.042
114 HG23 VAL 13 HG23 VAL 13 3.952 2.068 -2.326
115 H ASN 14 HN ASN 14 0.443 -0.723 -4.496
116 HA ASN 14 HA ASN 14 -1.234 -2.263 -4.457
117 HB2 ASN 14 HB2 ASN 14 0.889 -3.860 -3.010
118 HB3 ASN 14 HB1 ASN 14 -0.601 -4.536 -3.662
119 HD21 ASN 14 HD21 ASN 14 2.554 -3.716 -6.058
120 HD22 ASN 14 HD22 ASN 14 2.530 -3.268 -4.391
121 H ARG 15 HN ARG 15 -0.882 -0.386 -2.137
122 HA ARG 15 HA ARG 15 -1.703 -1.715 0.226
123 HB2 ARG 15 HB2 ARG 15 -0.632 0.475 0.295
124 HB3 ARG 15 HB1 ARG 15 -1.983 1.185 -0.579
125 HG2 ARG 15 HG2 ARG 15 -3.467 0.680 1.290
126 HG3 ARG 15 HG1 ARG 15 -2.118 -0.047 2.166
127 HD2 ARG 15 HD2 ARG 15 -2.539 2.233 2.927
128 HD3 ARG 15 HD1 ARG 15 -0.954 2.096 2.170
129 HE ARG 15 HE ARG 15 -2.796 2.902 0.225
130 HH11 ARG 15 HH11 ARG 15 -1.385 5.774 2.631
131 HH12 ARG 15 HH12 ARG 15 -1.295 4.117 3.124
132 HH21 ARG 15 HH21 ARG 15 -2.918 5.083 -0.434
133 HH22 ARG 15 HH22 ARG 15 -2.307 6.324 0.609
134 H HIS 16 HN HIS 16 -3.606 0.638 -1.658
135 HA HIS 16 HA HIS 16 -5.831 0.794 -2.101
136 HB2 HIS 16 HB2 HIS 16 -5.711 -2.219 -1.861
137 HB3 HIS 16 HB1 HIS 16 -7.058 -1.310 -2.539
138 HD1 HIS 16 HD1 HIS 16 -3.479 -2.231 -3.254
139 HD2 HIS 16 HD2 HIS 16 -6.745 -0.510 -5.163
140 HE1 HIS 16 HE1 HIS 16 -2.837 -2.082 -5.681
141 HE2 HIS 16 HE2 HIS 16 -4.827 -1.036 -6.818
142 H SER 17 HN SER 17 -8.065 -0.502 -1.202
143 HA SER 17 HA SER 17 -8.485 0.620 1.313
144 HB2 SER 17 HB1 SER 17 -10.582 -0.686 1.353
145 HB3 SER 17 HB2 SER 17 -10.323 0.086 -0.212
146 HG SER 17 HG SER 17 -10.756 -2.451 0.238
147 H THR 18 HN THR 18 -8.270 -0.079 3.364
148 HA THR 18 HA THR 18 -6.705 -2.457 3.826
149 HB THR 18 HB THR 18 -6.184 -0.477 5.126
150 HG1 THR 18 HG1 THR 18 -6.345 -2.801 6.084
151 HG21 THR 18 HG21 THR 18 -8.982 -0.724 6.242
152 HG22 THR 18 HG22 THR 18 -8.405 0.548 5.165
153 HG23 THR 18 HG23 THR 18 -7.748 0.408 6.796
154 H ALA 19 HN ALA 19 -7.294 -4.153 5.283
155 HA ALA 19 HA ALA 19 -10.112 -4.436 5.959
156 HB1 ALA 19 HB1 ALA 19 -8.695 -6.457 4.225
157 HB2 ALA 19 HB2 ALA 19 -9.962 -5.350 3.694
158 HB3 ALA 19 HB3 ALA 19 -10.327 -6.608 4.876
159 H ILE 20 HN ILE 20 -10.274 -5.235 7.944
160 HA ILE 20 HA ILE 20 -8.401 -7.262 8.873
161 HB ILE 20 HB ILE 20 -7.311 -5.194 9.551
162 HG12 ILE 20 HG12 ILE 20 -7.252 -5.585 12.015
163 HG13 ILE 20 HG11 ILE 20 -8.635 -6.662 11.844
164 HG21 ILE 20 HG21 ILE 20 -9.890 -4.559 10.978
165 HG22 ILE 20 HG22 ILE 20 -9.244 -3.724 9.565
166 HG23 ILE 20 HG23 ILE 20 -8.391 -3.638 11.106
167 HD11 ILE 20 HD11 ILE 20 -5.931 -7.057 10.587
168 HD12 ILE 20 HD12 ILE 20 -7.314 -8.139 10.428
169 HD13 ILE 20 HD13 ILE 20 -6.555 -7.902 12.003
170 H GLY 21 HN GLY 21 -9.284 -8.667 10.320
171 HA2 GLY 21 HA1 GLY 21 -10.887 -9.718 11.583
172 HA3 GLY 21 HA2 GLY 21 -11.465 -8.117 12.016
173 H ARG 22 HN ARG 22 -11.345 -8.952 8.671
174 HA ARG 22 HA ARG 22 -14.264 -8.908 8.583
175 HB2 ARG 22 HB1 ARG 22 -12.247 -8.785 6.332
176 HB3 ARG 22 HB2 ARG 22 -13.986 -8.583 6.164
177 HG2 ARG 22 HG1 ARG 22 -12.263 -6.782 7.847
178 HG3 ARG 22 HG2 ARG 22 -12.651 -6.468 6.155
179 HD2 ARG 22 HD1 ARG 22 -14.196 -5.222 7.450
180 HD3 ARG 22 HD2 ARG 22 -15.078 -6.600 6.793
181 HE ARG 22 HE ARG 22 -14.076 -7.225 9.357
182 HH11 ARG 22 HH11 ARG 22 -16.527 -5.316 7.780
183 HH12 ARG 22 HH12 ARG 22 -17.613 -5.360 9.129
184 HH21 ARG 22 HH21 ARG 22 -17.029 -6.484 11.037
185 HH22 ARG 22 HH22 ARG 22 -15.500 -7.292 11.137
Start of MODEL 11
1 H1 ACE 0 HA1 ACE 0 8.403 -2.445 11.203
2 H2 ACE 0 HA2 ACE 0 9.401 -3.014 9.868
3 H3 ACE 0 HA3 ACE 0 7.894 -3.855 10.226
4 H MET 1 HN MET 1 9.165 -0.673 9.304
5 HA MET 1 HA MET 1 6.593 0.074 8.181
6 HB2 MET 1 HB1 MET 1 9.223 1.528 8.441
7 HB3 MET 1 HB2 MET 1 7.847 2.200 7.578
8 HG2 MET 1 HG2 MET 1 7.890 3.117 9.777
9 HG3 MET 1 HG1 MET 1 6.515 2.022 9.655
10 HE1 MET 1 HE1 MET 1 7.630 1.632 13.395
11 HE2 MET 1 HE2 MET 1 6.292 2.004 12.307
12 HE3 MET 1 HE3 MET 1 7.666 3.103 12.425
13 H ASN 2 HN ASN 2 6.099 -0.789 6.265
14 HA ASN 2 HA ASN 2 8.201 -0.862 4.200
15 HB2 ASN 2 HB2 ASN 2 7.077 -3.062 5.051
16 HB3 ASN 2 HB1 ASN 2 5.723 -2.548 4.051
17 HD21 ASN 2 HD21 ASN 2 7.623 -1.243 2.135
18 HD22 ASN 2 HD22 ASN 2 8.267 -2.548 1.207
19 H TRP 3 HN TRP 3 6.218 1.283 5.005
20 HA TRP 3 HA TRP 3 4.340 1.479 2.869
21 HB2 TRP 3 HB1 TRP 3 4.033 3.800 3.602
22 HB3 TRP 3 HB2 TRP 3 3.927 2.667 4.948
23 HD1 TRP 3 HD1 TRP 3 5.814 2.793 6.778
24 HE1 TRP 3 HE1 TRP 3 7.538 4.607 7.383
25 HE3 TRP 3 HE3 TRP 3 5.633 5.499 2.487
26 HZ2 TRP 3 HZ2 TRP 3 8.657 6.891 6.159
27 HZ3 TRP 3 HZ3 TRP 3 7.067 7.481 2.263
28 HH2 TRP 3 HH2 TRP 3 8.559 8.159 4.068
29 H THR 4 HN THR 4 7.641 1.832 3.021
30 HA THR 4 HA THR 4 8.283 4.037 1.557
31 HB THR 4 HB THR 4 9.554 1.305 1.256
32 HG1 THR 4 HG1 THR 4 9.778 3.360 3.167
33 HG21 THR 4 HG21 THR 4 11.548 2.511 0.559
34 HG22 THR 4 HG22 THR 4 10.702 4.048 0.726
35 HG23 THR 4 HG23 THR 4 10.203 2.898 -0.514
36 H GLY 5 HN GLY 5 6.578 4.426 0.074
37 HA2 GLY 5 HA1 GLY 5 6.933 4.012 -2.546
38 HA3 GLY 5 HA2 GLY 5 6.117 2.531 -2.069
39 H LEU 6 HN LEU 6 5.236 5.348 -0.297
40 HA LEU 6 HA LEU 6 2.692 5.475 -1.771
41 HB2 LEU 6 HB1 LEU 6 1.895 6.654 0.330
42 HB3 LEU 6 HB2 LEU 6 2.243 4.943 0.474
43 HG LEU 6 HG LEU 6 4.500 5.596 1.404
44 HD11 LEU 6 HD11 LEU 6 4.611 7.885 0.617
45 HD12 LEU 6 HD12 LEU 6 4.706 7.833 2.378
46 HD13 LEU 6 HD13 LEU 6 3.200 8.307 1.588
47 HD21 LEU 6 HD21 LEU 6 2.110 6.503 2.992
48 HD22 LEU 6 HD22 LEU 6 3.676 5.990 3.632
49 HD23 LEU 6 HD23 LEU 6 2.631 4.829 2.805
50 H TYR 7 HN TYR 7 5.394 6.879 -2.143
51 HA TYR 7 HA TYR 7 4.276 9.541 -2.512
52 HB2 TYR 7 HB2 TYR 7 6.478 10.492 -1.720
53 HB3 TYR 7 HB1 TYR 7 5.468 9.760 -0.476
54 HD1 TYR 7 HD1 TYR 7 5.914 7.073 -0.331
55 HD2 TYR 7 HD2 TYR 7 8.739 10.037 -1.492
56 HE1 TYR 7 HE1 TYR 7 7.711 5.569 0.239
57 HE2 TYR 7 HE2 TYR 7 10.580 8.519 -0.883
58 HH TYR 7 HH TYR 7 10.951 6.563 0.565
59 H THR 8 HN THR 8 7.176 7.555 -3.164
60 HA THR 8 HA THR 8 7.395 8.904 -5.775
61 HB THR 8 HB THR 8 9.767 8.099 -5.771
62 HG1 THR 8 HG1 THR 8 9.196 6.489 -4.010
63 HG21 THR 8 HG21 THR 8 8.892 9.908 -3.517
64 HG22 THR 8 HG22 THR 8 9.285 10.388 -5.168
65 HG23 THR 8 HG23 THR 8 10.550 9.768 -4.106
66 H LEU 9 HN LEU 9 5.742 6.482 -5.059
67 HA LEU 9 HA LEU 9 6.527 4.917 -7.355
68 HB2 LEU 9 HB1 LEU 9 7.434 4.092 -4.884
69 HB3 LEU 9 HB2 LEU 9 5.973 3.149 -5.107
70 HG LEU 9 HG LEU 9 7.896 1.894 -5.876
71 HD11 LEU 9 HD11 LEU 9 6.226 2.873 -8.184
72 HD12 LEU 9 HD12 LEU 9 5.800 1.574 -7.070
73 HD13 LEU 9 HD13 LEU 9 7.180 1.389 -8.153
74 HD21 LEU 9 HD21 LEU 9 9.260 2.656 -7.749
75 HD22 LEU 9 HD22 LEU 9 9.380 3.759 -6.378
76 HD23 LEU 9 HD23 LEU 9 8.384 4.186 -7.770
77 H LEU 10 HN LEU 10 4.469 4.929 -4.548
78 HA LEU 10 HA LEU 10 2.248 4.640 -4.214
79 HB2 LEU 10 HB2 LEU 10 1.778 5.470 -7.048
80 HB3 LEU 10 HB1 LEU 10 0.814 5.810 -5.623
81 HG LEU 10 HG LEU 10 3.405 7.082 -6.470
82 HD11 LEU 10 HD11 LEU 10 0.710 8.207 -5.726
83 HD12 LEU 10 HD12 LEU 10 1.356 8.047 -7.359
84 HD13 LEU 10 HD13 LEU 10 2.121 9.146 -6.211
85 HD21 LEU 10 HD21 LEU 10 3.387 8.290 -4.312
86 HD22 LEU 10 HD22 LEU 10 3.710 6.564 -4.133
87 HD23 LEU 10 HD23 LEU 10 2.113 7.210 -3.749
88 H SER 11 HN SER 11 3.923 2.672 -6.154
89 HA SER 11 HA SER 11 1.601 0.982 -6.796
90 HB2 SER 11 HB1 SER 11 3.025 1.570 -8.741
91 HB3 SER 11 HB2 SER 11 4.411 0.848 -7.926
92 HG SER 11 HG SER 11 3.491 -1.143 -8.114
93 H ARG 12 HN ARG 12 3.688 1.513 -4.454
94 HA ARG 12 HA ARG 12 4.158 -1.315 -3.810
95 HB2 ARG 12 HB2 ARG 12 5.576 1.203 -2.940
96 HB3 ARG 12 HB1 ARG 12 5.861 -0.365 -2.191
97 HG2 ARG 12 HG2 ARG 12 6.666 -1.259 -4.288
98 HG3 ARG 12 HG1 ARG 12 6.289 0.259 -5.107
99 HD2 ARG 12 HD2 ARG 12 7.915 1.430 -3.730
100 HD3 ARG 12 HD1 ARG 12 8.262 -0.056 -2.847
101 HE ARG 12 HE ARG 12 8.701 -0.531 -5.566
102 HH11 ARG 12 HH11 ARG 12 10.037 1.357 -2.960
103 HH12 ARG 12 HH12 ARG 12 11.643 1.351 -3.608
104 HH21 ARG 12 HH21 ARG 12 12.083 0.272 -5.580
105 HH22 ARG 12 HH22 ARG 12 10.811 -0.543 -6.427
106 H VAL 13 HN VAL 13 1.986 0.968 -3.275
107 HA VAL 13 HA VAL 13 1.639 0.367 -0.426
108 HB VAL 13 HB VAL 13 1.843 2.760 -0.943
109 HG11 VAL 13 HG21 VAL 13 0.234 3.916 -2.280
110 HG12 VAL 13 HG22 VAL 13 -0.702 2.441 -2.510
111 HG13 VAL 13 HG23 VAL 13 0.900 2.589 -3.231
112 HG21 VAL 13 HG11 VAL 13 -0.953 2.027 -0.109
113 HG22 VAL 13 HG12 VAL 13 -0.106 3.533 0.249
114 HG23 VAL 13 HG13 VAL 13 0.458 2.016 0.948
115 H ASN 14 HN ASN 14 0.571 -0.508 -3.396
116 HA ASN 14 HA ASN 14 -1.245 -1.610 -4.217
117 HB2 ASN 14 HB1 ASN 14 -1.521 -2.252 -1.278
118 HB3 ASN 14 HB2 ASN 14 -2.559 -2.959 -2.513
119 HD21 ASN 14 HD21 ASN 14 1.354 -3.882 -3.113
120 HD22 ASN 14 HD22 ASN 14 0.824 -2.241 -3.022
121 H ARG 15 HN ARG 15 -1.439 1.202 -2.923
122 HA ARG 15 HA ARG 15 -2.975 2.848 -2.690
123 HB2 ARG 15 HB2 ARG 15 -4.676 0.987 -4.361
124 HB3 ARG 15 HB1 ARG 15 -5.007 2.690 -4.078
125 HG2 ARG 15 HG2 ARG 15 -2.934 3.289 -5.221
126 HG3 ARG 15 HG1 ARG 15 -2.595 1.579 -5.501
127 HD2 ARG 15 HD1 ARG 15 -4.654 1.391 -6.813
128 HD3 ARG 15 HD2 ARG 15 -4.983 3.101 -6.539
129 HE ARG 15 HE ARG 15 -2.445 2.872 -7.684
130 HH11 ARG 15 HH11 ARG 15 -5.544 2.645 -10.210
131 HH12 ARG 15 HH12 ARG 15 -5.784 2.335 -8.523
132 HH21 ARG 15 HH21 ARG 15 -3.461 3.182 -10.995
133 HH22 ARG 15 HH22 ARG 15 -2.119 3.280 -9.904
134 H HIS 16 HN HIS 16 -5.522 3.141 -2.178
135 HA HIS 16 HA HIS 16 -7.090 3.030 -0.535
136 HB2 HIS 16 HB2 HIS 16 -6.459 0.075 -0.686
137 HB3 HIS 16 HB1 HIS 16 -7.861 0.771 0.120
138 HD1 HIS 16 HD1 HIS 16 -6.633 -0.326 -3.161
139 HD2 HIS 16 HD2 HIS 16 -9.759 1.979 -1.685
140 HE1 HIS 16 HE1 HIS 16 -8.272 -0.124 -5.057
141 HE2 HIS 16 HE2 HIS 16 -10.158 1.276 -4.142
142 H SER 17 HN SER 17 -7.442 1.695 1.758
143 HA SER 17 HA SER 17 -4.996 2.315 3.271
144 HB2 SER 17 HB2 SER 17 -6.921 3.709 3.868
145 HB3 SER 17 HB1 SER 17 -7.879 2.266 4.197
146 HG SER 17 HG SER 17 -6.925 3.254 6.083
147 H THR 18 HN THR 18 -3.902 0.653 4.058
148 HA THR 18 HA THR 18 -5.373 -1.778 4.830
149 HB THR 18 HB THR 18 -4.291 -2.267 2.713
150 HG1 THR 18 HG1 THR 18 -2.856 -3.414 4.896
151 HG21 THR 18 HG21 THR 18 -1.855 -2.143 2.462
152 HG22 THR 18 HG22 THR 18 -1.724 -1.425 4.067
153 HG23 THR 18 HG23 THR 18 -2.547 -0.551 2.775
154 H ALA 19 HN ALA 19 -2.928 0.541 5.499
155 HA ALA 19 HA ALA 19 -2.514 -0.653 8.128
156 HB1 ALA 19 HB1 ALA 19 -0.091 -0.454 8.003
157 HB2 ALA 19 HB2 ALA 19 -0.211 0.098 6.331
158 HB3 ALA 19 HB3 ALA 19 -0.694 -1.545 6.754
159 H ILE 20 HN ILE 20 -0.944 0.920 9.402
160 HA ILE 20 HA ILE 20 -2.230 3.517 9.289
161 HB ILE 20 HB ILE 20 -0.172 2.486 11.246
162 HG12 ILE 20 HG12 ILE 20 -3.180 2.674 11.537
163 HG13 ILE 20 HG11 ILE 20 -2.297 1.184 11.217
164 HG21 ILE 20 HG21 ILE 20 -0.248 4.915 11.155
165 HG22 ILE 20 HG22 ILE 20 -0.936 4.331 12.670
166 HG23 ILE 20 HG23 ILE 20 -1.997 4.884 11.375
167 HD11 ILE 20 HD11 ILE 20 -2.885 1.365 13.558
168 HD12 ILE 20 HD12 ILE 20 -2.031 2.904 13.671
169 HD13 ILE 20 HD13 ILE 20 -1.135 1.419 13.351
170 H GLY 21 HN GLY 21 -1.432 5.034 7.991
171 HA2 GLY 21 HA2 GLY 21 1.454 5.061 7.432
172 HA3 GLY 21 HA1 GLY 21 0.217 5.849 6.465
173 H ARG 22 HN ARG 22 -0.529 7.881 7.047
174 HA ARG 22 HA ARG 22 0.644 9.143 9.410
175 HB2 ARG 22 HB2 ARG 22 2.192 9.615 7.556
176 HB3 ARG 22 HB1 ARG 22 0.865 10.288 6.619
177 HG2 ARG 22 HG2 ARG 22 2.157 12.074 7.566
178 HG3 ARG 22 HG1 ARG 22 0.574 12.030 8.345
179 HD2 ARG 22 HD1 ARG 22 2.341 12.394 9.981
180 HD3 ARG 22 HD2 ARG 22 1.540 10.846 10.250
181 HE ARG 22 HE ARG 22 3.767 10.403 8.625
182 HH11 ARG 22 HH11 ARG 22 4.498 10.763 12.546
183 HH12 ARG 22 HH12 ARG 22 3.029 11.397 11.881
184 HH21 ARG 22 HH21 ARG 22 6.018 9.723 11.187
185 HH22 ARG 22 HH22 ARG 22 5.704 9.566 9.491
Start of MODEL 12
1 H1 ACE 0 HA1 ACE 0 4.189 1.784 13.047
2 H2 ACE 0 HA2 ACE 0 3.683 3.006 14.212
3 H3 ACE 0 HA3 ACE 0 5.287 3.124 13.493
4 H MET 1 HN MET 1 5.415 4.683 12.065
5 HA MET 1 HA MET 1 3.070 5.733 10.766
6 HB2 MET 1 HB2 MET 1 5.087 7.079 11.580
7 HB3 MET 1 HB1 MET 1 5.931 6.470 10.162
8 HG2 MET 1 HG1 MET 1 5.069 8.664 9.713
9 HG3 MET 1 HG2 MET 1 4.212 7.479 8.730
10 HE1 MET 1 HE1 MET 1 2.333 9.269 8.203
11 HE2 MET 1 HE2 MET 1 3.167 10.465 9.194
12 HE3 MET 1 HE3 MET 1 1.447 10.157 9.443
13 H ASN 2 HN ASN 2 2.225 4.403 9.236
14 HA ASN 2 HA ASN 2 3.987 3.037 7.376
15 HB2 ASN 2 HB2 ASN 2 2.162 1.705 8.119
16 HB3 ASN 2 HB1 ASN 2 0.997 2.980 7.774
17 HD21 ASN 2 HD21 ASN 2 3.608 2.207 5.585
18 HD22 ASN 2 HD22 ASN 2 2.625 1.510 4.346
19 H TRP 3 HN TRP 3 4.366 3.577 5.362
20 HA TRP 3 HA TRP 3 2.727 5.044 3.645
21 HB2 TRP 3 HB2 TRP 3 4.086 7.124 3.466
22 HB3 TRP 3 HB1 TRP 3 3.170 6.998 4.969
23 HD1 TRP 3 HD1 TRP 3 4.546 6.710 7.201
24 HE1 TRP 3 HE1 TRP 3 7.008 7.161 7.795
25 HE3 TRP 3 HE3 TRP 3 6.459 6.876 2.500
26 HZ2 TRP 3 HZ2 TRP 3 9.437 7.536 6.420
27 HZ3 TRP 3 HZ3 TRP 3 8.869 7.277 2.207
28 HH2 TRP 3 HH2 TRP 3 10.332 7.594 4.135
29 H THR 4 HN THR 4 5.883 4.028 4.640
30 HA THR 4 HA THR 4 7.666 4.367 2.805
31 HB THR 4 HB THR 4 6.884 1.547 3.570
32 HG1 THR 4 HG1 THR 4 8.308 3.591 4.908
33 HG21 THR 4 HG21 THR 4 9.256 1.040 3.236
34 HG22 THR 4 HG22 THR 4 9.543 2.702 2.720
35 HG23 THR 4 HG23 THR 4 8.522 1.641 1.750
36 H GLY 5 HN GLY 5 6.691 5.087 0.867
37 HA2 GLY 5 HA1 GLY 5 6.799 3.524 -1.328
38 HA3 GLY 5 HA2 GLY 5 5.165 3.244 -0.742
39 H LEU 6 HN LEU 6 5.618 6.263 0.239
40 HA LEU 6 HA LEU 6 4.130 7.384 -1.940
41 HB2 LEU 6 HB1 LEU 6 4.397 9.506 -0.559
42 HB3 LEU 6 HB2 LEU 6 3.479 8.184 0.133
43 HG LEU 6 HG LEU 6 5.565 7.525 1.384
44 HD11 LEU 6 HD11 LEU 6 6.513 10.228 0.456
45 HD12 LEU 6 HD12 LEU 6 7.216 8.668 0.029
46 HD13 LEU 6 HD13 LEU 6 7.285 9.240 1.697
47 HD21 LEU 6 HD21 LEU 6 4.467 10.259 1.987
48 HD22 LEU 6 HD22 LEU 6 5.298 9.188 3.119
49 HD23 LEU 6 HD23 LEU 6 3.729 8.727 2.454
50 H TYR 7 HN TYR 7 7.110 6.620 -2.129
51 HA TYR 7 HA TYR 7 7.907 9.077 -3.494
52 HB2 TYR 7 HB2 TYR 7 10.285 8.523 -2.832
53 HB3 TYR 7 HB1 TYR 7 9.229 9.074 -1.535
54 HD1 TYR 7 HD1 TYR 7 7.861 7.028 -0.430
55 HD2 TYR 7 HD2 TYR 7 11.684 6.765 -2.278
56 HE1 TYR 7 HE1 TYR 7 8.315 5.015 0.815
57 HE2 TYR 7 HE2 TYR 7 12.164 4.717 -0.996
58 HH TYR 7 HH TYR 7 11.410 3.633 1.089
59 H THR 8 HN THR 8 7.873 5.596 -3.435
60 HA THR 8 HA THR 8 8.598 5.580 -6.261
61 HB THR 8 HB THR 8 10.159 3.687 -5.974
62 HG1 THR 8 HG1 THR 8 9.165 3.407 -3.665
63 HG21 THR 8 HG21 THR 8 12.047 4.970 -5.073
64 HG22 THR 8 HG22 THR 8 10.923 6.155 -4.410
65 HG23 THR 8 HG23 THR 8 11.059 5.951 -6.156
66 H LEU 9 HN LEU 9 6.318 4.871 -4.240
67 HA LEU 9 HA LEU 9 5.439 2.546 -5.746
68 HB2 LEU 9 HB1 LEU 9 5.681 2.550 -2.749
69 HB3 LEU 9 HB2 LEU 9 4.705 1.398 -3.635
70 HG LEU 9 HG LEU 9 7.689 1.729 -3.961
71 HD11 LEU 9 HD21 LEU 9 7.853 -0.386 -2.751
72 HD12 LEU 9 HD22 LEU 9 6.111 -0.367 -2.481
73 HD13 LEU 9 HD23 LEU 9 7.130 0.875 -1.754
74 HD21 LEU 9 HD11 LEU 9 5.786 -0.360 -5.016
75 HD22 LEU 9 HD12 LEU 9 7.540 -0.376 -5.196
76 HD23 LEU 9 HD13 LEU 9 6.586 0.892 -5.966
77 H LEU 10 HN LEU 10 4.805 5.489 -4.936
78 HA LEU 10 HA LEU 10 2.469 5.882 -3.676
79 HB2 LEU 10 HB1 LEU 10 3.229 7.032 -6.358
80 HB3 LEU 10 HB2 LEU 10 1.964 7.666 -5.324
81 HG LEU 10 HG LEU 10 3.762 8.031 -3.565
82 HD11 LEU 10 HD21 LEU 10 5.411 7.060 -5.827
83 HD12 LEU 10 HD22 LEU 10 5.654 6.884 -4.083
84 HD13 LEU 10 HD23 LEU 10 6.038 8.410 -4.882
85 HD21 LEU 10 HD11 LEU 10 2.795 9.848 -4.865
86 HD22 LEU 10 HD12 LEU 10 3.956 9.552 -6.159
87 HD23 LEU 10 HD13 LEU 10 4.515 10.119 -4.585
88 H SER 11 HN SER 11 2.398 5.494 -7.208
89 HA SER 11 HA SER 11 -0.331 4.589 -7.119
90 HB2 SER 11 HB2 SER 11 -0.115 4.433 -9.577
91 HB3 SER 11 HB1 SER 11 0.439 5.994 -8.973
92 HG SER 11 HG SER 11 2.464 5.490 -9.459
93 H ARG 12 HN ARG 12 2.464 3.097 -6.410
94 HA ARG 12 HA ARG 12 1.692 0.517 -7.577
95 HB2 ARG 12 HB1 ARG 12 4.296 1.272 -6.244
96 HB3 ARG 12 HB2 ARG 12 3.957 -0.219 -7.111
97 HG2 ARG 12 HG1 ARG 12 3.748 0.999 -9.191
98 HG3 ARG 12 HG2 ARG 12 3.989 2.528 -8.342
99 HD2 ARG 12 HD2 ARG 12 6.047 1.822 -9.422
100 HD3 ARG 12 HD1 ARG 12 6.228 1.797 -7.668
101 HE ARG 12 HE ARG 12 5.480 -0.751 -8.338
102 HH11 ARG 12 HH11 ARG 12 9.207 0.113 -9.522
103 HH12 ARG 12 HH12 ARG 12 8.077 1.394 -9.233
104 HH21 ARG 12 HH21 ARG 12 6.960 -2.442 -8.718
105 HH22 ARG 12 HH22 ARG 12 8.572 -2.068 -9.230
106 H VAL 13 HN VAL 13 0.714 2.030 -5.057
107 HA VAL 13 HA VAL 13 1.477 0.528 -2.817
108 HB VAL 13 HB VAL 13 -0.686 1.448 -1.868
109 HG11 VAL 13 HG11 VAL 13 0.218 3.708 -1.682
110 HG12 VAL 13 HG12 VAL 13 1.341 3.354 -2.994
111 HG13 VAL 13 HG13 VAL 13 1.465 2.481 -1.467
112 HG21 VAL 13 HG21 VAL 13 -1.751 3.249 -3.110
113 HG22 VAL 13 HG22 VAL 13 -1.875 1.717 -3.975
114 HG23 VAL 13 HG23 VAL 13 -0.696 2.923 -4.484
115 H ASN 14 HN ASN 14 -1.787 0.452 -2.664
116 HA ASN 14 HA ASN 14 -3.327 -1.198 -2.549
117 HB2 ASN 14 HB1 ASN 14 -1.842 -2.231 -4.975
118 HB3 ASN 14 HB2 ASN 14 -3.444 -2.756 -4.462
119 HD21 ASN 14 HD21 ASN 14 -1.579 -0.178 -5.851
120 HD22 ASN 14 HD22 ASN 14 -2.915 0.746 -6.437
121 H ARG 15 HN ARG 15 -0.721 -1.498 -1.169
122 HA ARG 15 HA ARG 15 0.300 -2.984 0.208
123 HB2 ARG 15 HB1 ARG 15 -1.990 -3.618 0.831
124 HB3 ARG 15 HB2 ARG 15 -2.034 -4.773 -0.494
125 HG2 ARG 15 HG2 ARG 15 -0.282 -6.081 0.541
126 HG3 ARG 15 HG1 ARG 15 -0.132 -4.891 1.837
127 HD2 ARG 15 HD2 ARG 15 -1.449 -6.853 2.517
128 HD3 ARG 15 HD1 ARG 15 -2.386 -5.362 2.577
129 HE ARG 15 HE ARG 15 -2.755 -6.613 0.081
130 HH11 ARG 15 HH11 ARG 15 -3.589 -6.985 3.444
131 HH12 ARG 15 HH12 ARG 15 -5.064 -7.832 3.117
132 HH21 ARG 15 HH21 ARG 15 -5.693 -8.253 0.957
133 HH22 ARG 15 HH22 ARG 15 -4.696 -7.726 -0.358
134 H HIS 16 HN HIS 16 -1.073 -5.449 -1.933
135 HA HIS 16 HA HIS 16 1.564 -6.520 -2.408
136 HB2 HIS 16 HB2 HIS 16 -1.161 -7.379 -3.399
137 HB3 HIS 16 HB1 HIS 16 0.333 -8.251 -3.726
138 HD1 HIS 16 HD1 HIS 16 -2.378 -8.039 -1.338
139 HD2 HIS 16 HD2 HIS 16 1.609 -9.209 -1.243
140 HE1 HIS 16 HE1 HIS 16 -2.130 -9.416 0.752
141 HE2 HIS 16 HE2 HIS 16 0.290 -10.114 0.791
142 H SER 17 HN SER 17 -1.052 -5.889 -4.737
143 HA SER 17 HA SER 17 -1.047 -5.069 -6.856
144 HB2 SER 17 HB1 SER 17 -0.309 -3.004 -5.733
145 HB3 SER 17 HB2 SER 17 1.370 -3.519 -5.891
146 HG SER 17 HG SER 17 0.507 -2.035 -7.549
147 H THR 18 HN THR 18 0.899 -7.322 -5.918
148 HA THR 18 HA THR 18 2.690 -7.298 -8.245
149 HB THR 18 HB THR 18 3.833 -7.695 -6.146
150 HG1 THR 18 HG1 THR 18 4.292 -9.005 -8.150
151 HG21 THR 18 HG21 THR 18 3.343 -9.667 -4.770
152 HG22 THR 18 HG22 THR 18 1.973 -10.053 -5.812
153 HG23 THR 18 HG23 THR 18 1.959 -8.576 -4.848
154 H ALA 19 HN ALA 19 -0.009 -8.964 -6.818
155 HA ALA 19 HA ALA 19 0.092 -11.022 -8.911
156 HB1 ALA 19 HB1 ALA 19 -0.091 -11.831 -6.606
157 HB2 ALA 19 HB2 ALA 19 -1.510 -12.260 -7.559
158 HB3 ALA 19 HB3 ALA 19 -1.591 -10.926 -6.409
159 H ILE 20 HN ILE 20 -1.051 -10.619 -10.678
160 HA ILE 20 HA ILE 20 -3.032 -8.590 -10.833
161 HB ILE 20 HB ILE 20 -3.446 -9.450 -13.120
162 HG12 ILE 20 HG11 ILE 20 -1.322 -11.494 -12.428
163 HG13 ILE 20 HG12 ILE 20 -3.040 -11.850 -12.586
164 HG21 ILE 20 HG21 ILE 20 -0.540 -9.109 -12.386
165 HG22 ILE 20 HG22 ILE 20 -1.692 -7.813 -12.711
166 HG23 ILE 20 HG23 ILE 20 -1.223 -8.919 -14.002
167 HD11 ILE 20 HD11 ILE 20 -2.962 -11.189 -14.930
168 HD12 ILE 20 HD12 ILE 20 -1.817 -12.484 -14.581
169 HD13 ILE 20 HD13 ILE 20 -1.244 -10.828 -14.772
170 H GLY 21 HN GLY 21 -5.267 -8.779 -11.201
171 HA2 GLY 21 HA1 GLY 21 -7.311 -9.955 -11.349
172 HA3 GLY 21 HA2 GLY 21 -6.491 -11.405 -10.791
173 H ARG 22 HN ARG 22 -6.875 -12.012 -8.772
174 HA ARG 22 HA ARG 22 -8.553 -10.494 -7.068
175 HB2 ARG 22 HB1 ARG 22 -7.958 -12.301 -5.378
176 HB3 ARG 22 HB2 ARG 22 -8.713 -12.840 -6.871
177 HG2 ARG 22 HG1 ARG 22 -6.496 -13.452 -7.747
178 HG3 ARG 22 HG2 ARG 22 -5.779 -12.972 -6.206
179 HD2 ARG 22 HD2 ARG 22 -6.097 -15.376 -6.277
180 HD3 ARG 22 HD1 ARG 22 -7.143 -14.653 -5.056
181 HE ARG 22 HE ARG 22 -8.761 -14.769 -7.197
182 HH11 ARG 22 HH11 ARG 22 -6.693 -17.139 -5.697
183 HH12 ARG 22 HH12 ARG 22 -7.687 -18.482 -6.150
184 HH21 ARG 22 HH21 ARG 22 -10.076 -16.532 -7.797
185 HH22 ARG 22 HH22 ARG 22 -9.611 -18.138 -7.342
Start of MODEL 13
1 H1 ACE 0 HA1 ACE 0 2.958 3.143 13.604
2 H2 ACE 0 HA2 ACE 0 3.148 1.494 13.014
3 H3 ACE 0 HA3 ACE 0 1.567 2.264 12.899
4 H MET 1 HN MET 1 4.937 2.675 11.851
5 HA MET 1 HA MET 1 4.014 4.171 9.520
6 HB2 MET 1 HB1 MET 1 6.774 3.616 10.613
7 HB3 MET 1 HB2 MET 1 6.485 4.466 9.102
8 HG2 MET 1 HG1 MET 1 6.887 6.079 10.801
9 HG3 MET 1 HG2 MET 1 5.181 6.156 10.365
10 HE1 MET 1 HE1 MET 1 5.148 7.030 14.184
11 HE2 MET 1 HE2 MET 1 4.675 7.552 12.568
12 HE3 MET 1 HE3 MET 1 6.382 7.478 13.007
13 H ASN 2 HN ASN 2 3.504 3.097 7.743
14 HA ASN 2 HA ASN 2 5.140 0.782 6.965
15 HB2 ASN 2 HB2 ASN 2 3.089 -0.136 7.887
16 HB3 ASN 2 HB1 ASN 2 2.119 0.939 6.885
17 HD21 ASN 2 HD21 ASN 2 2.292 0.662 4.538
18 HD22 ASN 2 HD22 ASN 2 2.567 -0.923 3.907
19 H TRP 3 HN TRP 3 3.750 3.745 6.160
20 HA TRP 3 HA TRP 3 2.904 3.744 3.636
21 HB2 TRP 3 HB1 TRP 3 4.069 5.910 3.284
22 HB3 TRP 3 HB2 TRP 3 3.153 5.812 4.782
23 HD1 TRP 3 HD1 TRP 3 4.661 5.519 7.070
24 HE1 TRP 3 HE1 TRP 3 6.998 6.460 7.606
25 HE3 TRP 3 HE3 TRP 3 6.226 6.366 2.342
26 HZ2 TRP 3 HZ2 TRP 3 9.229 7.442 6.158
27 HZ3 TRP 3 HZ3 TRP 3 8.477 7.307 1.963
28 HH2 TRP 3 HH2 TRP 3 9.950 7.827 3.842
29 H THR 4 HN THR 4 6.385 4.224 4.151
30 HA THR 4 HA THR 4 8.001 4.078 2.481
31 HB THR 4 HB THR 4 7.345 1.159 2.874
32 HG1 THR 4 HG1 THR 4 8.279 3.088 4.698
33 HG21 THR 4 HG21 THR 4 9.195 1.651 1.353
34 HG22 THR 4 HG22 THR 4 9.792 0.918 2.841
35 HG23 THR 4 HG23 THR 4 9.956 2.655 2.588
36 H GLY 5 HN GLY 5 5.585 4.586 1.146
37 HA2 GLY 5 HA1 GLY 5 6.135 3.450 -1.422
38 HA3 GLY 5 HA2 GLY 5 4.672 2.786 -0.705
39 H LEU 6 HN LEU 6 5.648 6.075 -0.091
40 HA LEU 6 HA LEU 6 3.431 7.014 -1.796
41 HB2 LEU 6 HB2 LEU 6 3.432 8.994 -0.205
42 HB3 LEU 6 HB1 LEU 6 2.817 7.474 0.414
43 HG LEU 6 HG LEU 6 5.162 7.123 1.383
44 HD11 LEU 6 HD11 LEU 6 6.403 9.189 1.877
45 HD12 LEU 6 HD12 LEU 6 5.301 10.079 0.823
46 HD13 LEU 6 HD13 LEU 6 6.346 8.827 0.151
47 HD21 LEU 6 HD21 LEU 6 3.188 7.635 2.728
48 HD22 LEU 6 HD22 LEU 6 3.472 9.358 2.479
49 HD23 LEU 6 HD23 LEU 6 4.645 8.392 3.376
50 H TYR 7 HN TYR 7 6.451 6.694 -2.221
51 HA TYR 7 HA TYR 7 6.847 9.336 -3.377
52 HB2 TYR 7 HB1 TYR 7 9.261 9.237 -2.698
53 HB3 TYR 7 HB2 TYR 7 8.122 9.427 -1.368
54 HD1 TYR 7 HD1 TYR 7 7.191 6.908 -0.671
55 HD2 TYR 7 HD2 TYR 7 11.068 7.910 -2.082
56 HE1 TYR 7 HE1 TYR 7 8.068 4.929 0.395
57 HE2 TYR 7 HE2 TYR 7 11.985 5.905 -0.984
58 HH TYR 7 HH TYR 7 11.391 4.385 0.870
59 H THR 8 HN THR 8 8.097 6.007 -3.284
60 HA THR 8 HA THR 8 8.810 6.294 -6.132
61 HB THR 8 HB THR 8 10.381 4.424 -5.804
62 HG1 THR 8 HG1 THR 8 9.150 3.619 -3.907
63 HG21 THR 8 HG21 THR 8 11.338 6.599 -5.623
64 HG22 THR 8 HG22 THR 8 11.999 5.639 -4.299
65 HG23 THR 8 HG23 THR 8 10.714 6.806 -3.988
66 H LEU 9 HN LEU 9 6.317 5.303 -4.509
67 HA LEU 9 HA LEU 9 5.847 3.017 -6.257
68 HB2 LEU 9 HB2 LEU 9 5.241 3.046 -3.316
69 HB3 LEU 9 HB1 LEU 9 4.776 1.777 -4.434
70 HG LEU 9 HG LEU 9 7.639 2.549 -3.863
71 HD11 LEU 9 HD21 LEU 9 6.627 1.693 -1.844
72 HD12 LEU 9 HD22 LEU 9 7.731 0.499 -2.525
73 HD13 LEU 9 HD23 LEU 9 5.990 0.306 -2.725
74 HD21 LEU 9 HD11 LEU 9 7.298 1.492 -6.029
75 HD22 LEU 9 HD12 LEU 9 6.437 0.161 -5.256
76 HD23 LEU 9 HD13 LEU 9 8.153 0.412 -4.928
77 H LEU 10 HN LEU 10 4.260 4.932 -3.783
78 HA LEU 10 HA LEU 10 2.104 5.679 -3.585
79 HB2 LEU 10 HB1 LEU 10 2.742 6.476 -6.422
80 HB3 LEU 10 HB2 LEU 10 1.423 7.131 -5.470
81 HG LEU 10 HG LEU 10 3.161 7.911 -3.806
82 HD11 LEU 10 HD21 LEU 10 5.446 8.245 -4.953
83 HD12 LEU 10 HD22 LEU 10 4.951 6.894 -5.972
84 HD13 LEU 10 HD23 LEU 10 5.075 6.682 -4.223
85 HD21 LEU 10 HD11 LEU 10 3.287 9.029 -6.604
86 HD22 LEU 10 HD12 LEU 10 3.780 9.872 -5.135
87 HD23 LEU 10 HD13 LEU 10 2.088 9.435 -5.376
88 H SER 11 HN SER 11 1.742 5.040 -7.031
89 HA SER 11 HA SER 11 -0.599 3.412 -6.463
90 HB2 SER 11 HB1 SER 11 0.568 4.346 -9.100
91 HB3 SER 11 HB2 SER 11 -0.972 3.507 -8.906
92 HG SER 11 HG SER 11 -0.520 6.097 -8.749
93 H ARG 12 HN ARG 12 2.274 2.578 -6.023
94 HA ARG 12 HA ARG 12 2.130 0.029 -7.477
95 HB2 ARG 12 HB2 ARG 12 3.884 1.524 -8.423
96 HB3 ARG 12 HB1 ARG 12 4.653 1.572 -6.845
97 HG2 ARG 12 HG2 ARG 12 4.966 -0.889 -6.986
98 HG3 ARG 12 HG1 ARG 12 4.337 -0.825 -8.634
99 HD2 ARG 12 HD2 ARG 12 6.139 0.706 -9.262
100 HD3 ARG 12 HD1 ARG 12 6.767 0.648 -7.614
101 HE ARG 12 HE ARG 12 6.632 -1.969 -8.547
102 HH11 ARG 12 HH11 ARG 12 8.334 0.980 -9.290
103 HH12 ARG 12 HH12 ARG 12 9.737 0.167 -9.901
104 HH21 ARG 12 HH21 ARG 12 8.474 -3.047 -9.349
105 HH22 ARG 12 HH22 ARG 12 9.817 -2.121 -9.934
106 H VAL 13 HN VAL 13 1.800 1.397 -4.612
107 HA VAL 13 HA VAL 13 3.407 -0.416 -3.025
108 HB VAL 13 HB VAL 13 3.100 1.938 -2.312
109 HG11 VAL 13 HG21 VAL 13 0.280 1.168 -1.632
110 HG12 VAL 13 HG22 VAL 13 0.713 2.027 -3.108
111 HG13 VAL 13 HG23 VAL 13 1.028 2.762 -1.537
112 HG21 VAL 13 HG11 VAL 13 3.652 0.167 -0.691
113 HG22 VAL 13 HG12 VAL 13 1.929 -0.052 -0.379
114 HG23 VAL 13 HG13 VAL 13 2.713 1.477 0.026
115 H ASN 14 HN ASN 14 0.585 -0.647 -4.626
116 HA ASN 14 HA ASN 14 -1.226 -2.021 -4.548
117 HB2 ASN 14 HB1 ASN 14 0.516 -3.593 -2.637
118 HB3 ASN 14 HB2 ASN 14 -0.936 -4.200 -3.429
119 HD21 ASN 14 HD21 ASN 14 2.597 -3.976 -5.405
120 HD22 ASN 14 HD22 ASN 14 2.384 -3.277 -3.840
121 H ARG 15 HN ARG 15 -0.562 0.033 -2.311
122 HA ARG 15 HA ARG 15 -1.558 0.910 -0.481
123 HB2 ARG 15 HB2 ARG 15 -3.884 -0.801 -1.381
124 HB3 ARG 15 HB1 ARG 15 -3.979 0.514 -0.218
125 HG2 ARG 15 HG1 ARG 15 -3.152 0.808 -3.099
126 HG3 ARG 15 HG2 ARG 15 -4.756 1.165 -2.454
127 HD2 ARG 15 HD2 ARG 15 -2.179 2.513 -1.655
128 HD3 ARG 15 HD1 ARG 15 -3.429 3.198 -2.693
129 HE ARG 15 HE ARG 15 -4.647 2.497 -0.299
130 HH11 ARG 15 HH11 ARG 15 -2.491 5.869 -0.171
131 HH12 ARG 15 HH12 ARG 15 -2.184 4.698 -1.409
132 HH21 ARG 15 HH21 ARG 15 -4.125 5.491 1.389
133 HH22 ARG 15 HH22 ARG 15 -5.057 4.033 1.335
134 H HIS 16 HN HIS 16 -3.370 -2.106 -0.220
135 HA HIS 16 HA HIS 16 -1.702 -2.915 2.051
136 HB2 HIS 16 HB1 HIS 16 -3.733 -3.422 3.378
137 HB3 HIS 16 HB2 HIS 16 -3.564 -1.703 3.035
138 HD1 HIS 16 HD1 HIS 16 -5.372 -0.596 1.620
139 HD2 HIS 16 HD2 HIS 16 -5.872 -4.703 2.024
140 HE1 HIS 16 HE1 HIS 16 -7.677 -1.083 0.741
141 HE2 HIS 16 HE2 HIS 16 -7.958 -3.574 0.994
142 H SER 17 HN SER 17 -1.715 -5.135 2.512
143 HA SER 17 HA SER 17 -3.245 -6.888 0.751
144 HB2 SER 17 HB2 SER 17 -1.229 -8.172 0.122
145 HB3 SER 17 HB1 SER 17 -1.156 -6.512 -0.469
146 HG SER 17 HG SER 17 0.802 -6.929 0.451
147 H THR 18 HN THR 18 -4.066 -8.520 1.879
148 HA THR 18 HA THR 18 -3.327 -8.925 4.618
149 HB THR 18 HB THR 18 -5.657 -9.159 3.974
150 HG1 THR 18 HG1 THR 18 -4.380 -10.783 5.496
151 HG21 THR 18 HG21 THR 18 -6.414 -11.032 2.584
152 HG22 THR 18 HG22 THR 18 -4.738 -11.499 2.298
153 HG23 THR 18 HG23 THR 18 -5.341 -9.959 1.685
154 H ALA 19 HN ALA 19 -2.149 -10.098 1.698
155 HA ALA 19 HA ALA 19 -0.644 -11.703 1.132
156 HB1 ALA 19 HB1 ALA 19 0.885 -12.513 2.837
157 HB2 ALA 19 HB2 ALA 19 -0.185 -11.914 4.105
158 HB3 ALA 19 HB3 ALA 19 0.618 -10.779 3.022
159 H ILE 20 HN ILE 20 -1.642 -13.397 0.245
160 HA ILE 20 HA ILE 20 -3.272 -15.184 1.839
161 HB ILE 20 HB ILE 20 -3.701 -16.353 -0.299
162 HG12 ILE 20 HG12 ILE 20 -1.992 -14.172 -1.517
163 HG13 ILE 20 HG11 ILE 20 -1.488 -15.848 -1.330
164 HG21 ILE 20 HG21 ILE 20 -4.082 -13.363 -0.398
165 HG22 ILE 20 HG22 ILE 20 -5.137 -14.519 0.415
166 HG23 ILE 20 HG23 ILE 20 -4.983 -14.549 -1.341
167 HD11 ILE 20 HD11 ILE 20 -3.788 -14.869 -3.003
168 HD12 ILE 20 HD12 ILE 20 -3.303 -16.553 -2.805
169 HD13 ILE 20 HD13 ILE 20 -2.216 -15.409 -3.594
170 H GLY 21 HN GLY 21 -0.239 -14.971 2.048
171 HA2 GLY 21 HA2 GLY 21 0.259 -17.872 1.852
172 HA3 GLY 21 HA1 GLY 21 1.461 -16.717 1.298
173 H ARG 22 HN ARG 22 1.097 -14.813 3.394
174 HA ARG 22 HA ARG 22 1.967 -14.307 5.432
175 HB2 ARG 22 HB1 ARG 22 -0.011 -15.563 6.197
176 HB3 ARG 22 HB2 ARG 22 0.926 -17.050 6.164
177 HG2 ARG 22 HG1 ARG 22 2.405 -16.166 7.891
178 HG3 ARG 22 HG2 ARG 22 1.473 -14.666 7.922
179 HD2 ARG 22 HD1 ARG 22 0.818 -16.134 9.752
180 HD3 ARG 22 HD2 ARG 22 -0.512 -15.911 8.615
181 HE ARG 22 HE ARG 22 0.887 -18.213 7.878
182 HH11 ARG 22 HH11 ARG 22 -1.106 -17.052 10.491
183 HH12 ARG 22 HH12 ARG 22 -1.708 -18.624 10.899
184 HH21 ARG 22 HH21 ARG 22 0.099 -20.285 8.411
185 HH22 ARG 22 HH22 ARG 22 -1.024 -20.461 9.717
Start of MODEL 14
1 H1 ACE 0 HA1 ACE 0 3.539 0.443 12.521
2 H2 ACE 0 HA2 ACE 0 4.165 1.786 13.475
3 H3 ACE 0 HA3 ACE 0 5.200 0.388 13.186
4 H MET 1 HN MET 1 3.177 2.524 11.180
5 HA MET 1 HA MET 1 3.587 3.610 9.228
6 HB2 MET 1 HB1 MET 1 6.374 3.648 10.386
7 HB3 MET 1 HB2 MET 1 5.928 4.498 8.914
8 HG2 MET 1 HG2 MET 1 5.903 6.048 10.720
9 HG3 MET 1 HG1 MET 1 4.239 5.761 10.213
10 HE1 MET 1 HE1 MET 1 3.406 6.892 12.472
11 HE2 MET 1 HE2 MET 1 5.072 7.135 12.999
12 HE3 MET 1 HE3 MET 1 3.911 6.361 14.077
13 H ASN 2 HN ASN 2 3.111 2.093 7.707
14 HA ASN 2 HA ASN 2 5.318 0.376 6.779
15 HB2 ASN 2 HB1 ASN 2 3.367 -0.899 7.505
16 HB3 ASN 2 HB2 ASN 2 2.329 0.037 6.434
17 HD21 ASN 2 HD21 ASN 2 3.341 -1.623 3.481
18 HD22 ASN 2 HD22 ASN 2 2.744 -0.130 4.115
19 H TRP 3 HN TRP 3 3.604 3.151 6.022
20 HA TRP 3 HA TRP 3 2.885 3.201 3.465
21 HB2 TRP 3 HB1 TRP 3 3.833 5.489 3.265
22 HB3 TRP 3 HB2 TRP 3 2.879 5.227 4.720
23 HD1 TRP 3 HD1 TRP 3 4.297 5.030 7.055
24 HE1 TRP 3 HE1 TRP 3 6.524 6.142 7.720
25 HE3 TRP 3 HE3 TRP 3 6.009 6.118 2.424
26 HZ2 TRP 3 HZ2 TRP 3 8.731 7.337 6.404
27 HZ3 TRP 3 HZ3 TRP 3 8.190 7.246 2.175
28 HH2 TRP 3 HH2 TRP 3 9.524 7.837 4.134
29 H THR 4 HN THR 4 6.278 3.883 4.260
30 HA THR 4 HA THR 4 7.988 4.033 2.658
31 HB THR 4 HB THR 4 7.615 1.049 2.902
32 HG1 THR 4 HG1 THR 4 8.268 2.984 4.840
33 HG21 THR 4 HG21 THR 4 10.072 2.808 2.811
34 HG22 THR 4 HG22 THR 4 9.480 1.786 1.501
35 HG23 THR 4 HG23 THR 4 10.072 1.054 2.992
36 H GLY 5 HN GLY 5 5.755 4.476 1.133
37 HA2 GLY 5 HA1 GLY 5 6.542 3.504 -1.410
38 HA3 GLY 5 HA2 GLY 5 5.125 2.631 -0.838
39 H LEU 6 HN LEU 6 5.578 5.959 0.061
40 HA LEU 6 HA LEU 6 3.373 6.698 -1.752
41 HB2 LEU 6 HB1 LEU 6 3.054 8.591 -0.105
42 HB3 LEU 6 HB2 LEU 6 2.617 6.982 0.429
43 HG LEU 6 HG LEU 6 4.943 6.896 1.496
44 HD11 LEU 6 HD11 LEU 6 5.884 9.080 2.124
45 HD12 LEU 6 HD12 LEU 6 4.725 9.864 1.047
46 HD13 LEU 6 HD13 LEU 6 5.952 8.782 0.386
47 HD21 LEU 6 HD21 LEU 6 2.937 8.848 2.592
48 HD22 LEU 6 HD22 LEU 6 4.188 8.003 3.507
49 HD23 LEU 6 HD23 LEU 6 2.869 7.094 2.766
50 H TYR 7 HN TYR 7 6.396 6.794 -2.109
51 HA TYR 7 HA TYR 7 6.556 9.610 -2.897
52 HB2 TYR 7 HB2 TYR 7 9.099 9.240 -2.719
53 HB3 TYR 7 HB1 TYR 7 8.181 9.412 -1.226
54 HD1 TYR 7 HD1 TYR 7 7.171 7.056 -0.415
55 HD2 TYR 7 HD2 TYR 7 10.719 7.578 -2.691
56 HE1 TYR 7 HE1 TYR 7 7.962 4.908 0.356
57 HE2 TYR 7 HE2 TYR 7 11.548 5.396 -1.903
58 HH TYR 7 HH TYR 7 11.181 3.862 -0.011
59 H THR 8 HN THR 8 7.578 6.326 -3.697
60 HA THR 8 HA THR 8 7.453 7.042 -6.528
61 HB THR 8 HB THR 8 9.526 5.759 -7.001
62 HG1 THR 8 HG1 THR 8 9.272 5.020 -4.493
63 HG21 THR 8 HG21 THR 8 9.888 8.092 -5.115
64 HG22 THR 8 HG22 THR 8 9.619 8.197 -6.856
65 HG23 THR 8 HG23 THR 8 11.104 7.477 -6.234
66 H LEU 9 HN LEU 9 6.294 5.208 -4.201
67 HA LEU 9 HA LEU 9 5.850 2.914 -5.983
68 HB2 LEU 9 HB1 LEU 9 6.420 2.900 -3.034
69 HB3 LEU 9 HB2 LEU 9 5.590 1.569 -3.806
70 HG LEU 9 HG LEU 9 7.868 0.940 -3.604
71 HD11 LEU 9 HD21 LEU 9 6.846 0.352 -5.737
72 HD12 LEU 9 HD22 LEU 9 8.576 0.648 -5.916
73 HD13 LEU 9 HD23 LEU 9 7.415 1.869 -6.435
74 HD21 LEU 9 HD11 LEU 9 8.708 3.272 -3.274
75 HD22 LEU 9 HD12 LEU 9 8.693 3.456 -5.028
76 HD23 LEU 9 HD13 LEU 9 9.731 2.245 -4.278
77 H LEU 10 HN LEU 10 4.407 5.490 -4.964
78 HA LEU 10 HA LEU 10 2.157 5.025 -3.541
79 HB2 LEU 10 HB1 LEU 10 2.341 6.582 -6.116
80 HB3 LEU 10 HB2 LEU 10 1.011 6.692 -4.980
81 HG LEU 10 HG LEU 10 2.718 7.446 -3.255
82 HD11 LEU 10 HD21 LEU 10 4.820 6.954 -3.985
83 HD12 LEU 10 HD22 LEU 10 4.688 8.621 -4.553
84 HD13 LEU 10 HD23 LEU 10 4.428 7.286 -5.676
85 HD21 LEU 10 HD11 LEU 10 2.722 9.747 -4.077
86 HD22 LEU 10 HD12 LEU 10 1.155 8.978 -4.328
87 HD23 LEU 10 HD13 LEU 10 2.268 9.175 -5.682
88 H SER 11 HN SER 11 2.163 4.751 -7.093
89 HA SER 11 HA SER 11 -0.205 3.077 -6.993
90 HB2 SER 11 HB1 SER 11 1.438 4.036 -9.353
91 HB3 SER 11 HB2 SER 11 -0.102 3.183 -9.461
92 HG SER 11 HG SER 11 -0.607 5.146 -7.879
93 H ARG 12 HN ARG 12 2.675 2.351 -6.143
94 HA ARG 12 HA ARG 12 2.747 -0.242 -7.528
95 HB2 ARG 12 HB2 ARG 12 5.124 1.372 -6.593
96 HB3 ARG 12 HB1 ARG 12 5.192 -0.203 -7.372
97 HG2 ARG 12 HG2 ARG 12 4.393 0.702 -9.430
98 HG3 ARG 12 HG1 ARG 12 4.050 2.259 -8.670
99 HD2 ARG 12 HD2 ARG 12 6.443 2.558 -8.220
100 HD3 ARG 12 HD1 ARG 12 6.778 1.011 -9.000
101 HE ARG 12 HE ARG 12 5.386 2.571 -10.830
102 HH11 ARG 12 HH11 ARG 12 9.257 3.503 -10.406
103 HH12 ARG 12 HH12 ARG 12 8.439 2.635 -9.150
104 HH21 ARG 12 HH21 ARG 12 8.129 4.117 -12.303
105 HH22 ARG 12 HH22 ARG 12 6.455 3.715 -12.487
106 H VAL 13 HN VAL 13 1.904 1.056 -4.769
107 HA VAL 13 HA VAL 13 3.224 -0.950 -3.080
108 HB VAL 13 HB VAL 13 3.572 1.412 -2.402
109 HG11 VAL 13 HG21 VAL 13 1.260 2.093 -3.191
110 HG12 VAL 13 HG22 VAL 13 1.824 2.793 -1.676
111 HG13 VAL 13 HG23 VAL 13 0.671 1.460 -1.656
112 HG21 VAL 13 HG11 VAL 13 1.924 -0.169 -0.443
113 HG22 VAL 13 HG12 VAL 13 3.084 1.105 -0.058
114 HG23 VAL 13 HG13 VAL 13 3.642 -0.415 -0.758
115 H ASN 14 HN ASN 14 0.383 -0.239 -4.609
116 HA ASN 14 HA ASN 14 -1.771 -0.973 -4.464
117 HB2 ASN 14 HB2 ASN 14 -0.308 -3.229 -3.089
118 HB3 ASN 14 HB1 ASN 14 -2.030 -3.291 -3.455
119 HD21 ASN 14 HD21 ASN 14 0.310 -1.727 -5.524
120 HD22 ASN 14 HD22 ASN 14 0.213 -2.868 -6.817
121 H ARG 15 HN ARG 15 -0.452 0.547 -2.157
122 HA ARG 15 HA ARG 15 -1.019 1.408 -0.141
123 HB2 ARG 15 HB2 ARG 15 -3.766 0.409 -0.925
124 HB3 ARG 15 HB1 ARG 15 -3.433 1.550 0.371
125 HG2 ARG 15 HG1 ARG 15 -2.519 3.130 -1.267
126 HG3 ARG 15 HG2 ARG 15 -2.900 1.989 -2.559
127 HD2 ARG 15 HD1 ARG 15 -4.617 3.703 -2.387
128 HD3 ARG 15 HD2 ARG 15 -5.270 2.117 -1.980
129 HE ARG 15 HE ARG 15 -4.495 3.250 0.409
130 HH11 ARG 15 HH11 ARG 15 -6.714 4.028 -2.163
131 HH12 ARG 15 HH12 ARG 15 -7.819 4.870 -1.128
132 HH21 ARG 15 HH21 ARG 15 -7.381 5.057 1.111
133 HH22 ARG 15 HH22 ARG 15 -5.943 4.357 1.777
134 H HIS 16 HN HIS 16 -2.601 0.736 1.915
135 HA HIS 16 HA HIS 16 -2.715 -0.609 3.744
136 HB2 HIS 16 HB1 HIS 16 -2.742 -2.794 1.651
137 HB3 HIS 16 HB2 HIS 16 -3.165 -3.011 3.347
138 HD1 HIS 16 HD1 HIS 16 -4.545 -1.957 0.111
139 HD2 HIS 16 HD2 HIS 16 -5.598 -1.672 4.120
140 HE1 HIS 16 HE1 HIS 16 -6.980 -1.327 0.124
141 HE2 HIS 16 HE2 HIS 16 -7.597 -1.162 2.562
142 H SER 17 HN SER 17 -1.648 -2.954 4.519
143 HA SER 17 HA SER 17 1.244 -2.491 4.224
144 HB2 SER 17 HB1 SER 17 0.422 -2.137 6.505
145 HB3 SER 17 HB2 SER 17 -0.272 -3.759 6.519
146 HG SER 17 HG SER 17 2.121 -3.105 7.271
147 H THR 18 HN THR 18 1.744 -3.815 2.534
148 HA THR 18 HA THR 18 2.378 -5.741 1.504
149 HB THR 18 HB THR 18 1.574 -7.231 4.003
150 HG1 THR 18 HG1 THR 18 3.555 -5.399 3.620
151 HG21 THR 18 HG21 THR 18 2.063 -8.656 2.094
152 HG22 THR 18 HG22 THR 18 3.357 -8.781 3.286
153 HG23 THR 18 HG23 THR 18 3.590 -7.814 1.830
154 H ALA 19 HN ALA 19 -0.733 -5.168 2.606
155 HA ALA 19 HA ALA 19 -2.802 -5.844 1.954
156 HB1 ALA 19 HB1 ALA 19 -3.059 -6.667 -0.321
157 HB2 ALA 19 HB2 ALA 19 -1.326 -6.980 -0.417
158 HB3 ALA 19 HB3 ALA 19 -1.917 -5.325 -0.269
159 H ILE 20 HN ILE 20 -4.022 -7.926 1.041
160 HA ILE 20 HA ILE 20 -4.695 -10.062 1.430
161 HB ILE 20 HB ILE 20 -1.773 -10.633 1.943
162 HG12 ILE 20 HG12 ILE 20 -3.387 -10.948 -0.600
163 HG13 ILE 20 HG11 ILE 20 -2.242 -9.646 -0.294
164 HG21 ILE 20 HG21 ILE 20 -4.066 -12.477 1.280
165 HG22 ILE 20 HG22 ILE 20 -3.229 -12.366 2.829
166 HG23 ILE 20 HG23 ILE 20 -2.372 -12.953 1.403
167 HD11 ILE 20 HD11 ILE 20 -1.585 -12.576 -0.458
168 HD12 ILE 20 HD12 ILE 20 -0.434 -11.281 -0.126
169 HD13 ILE 20 HD13 ILE 20 -1.252 -11.356 -1.687
170 H GLY 21 HN GLY 21 -5.718 -10.883 3.142
171 HA2 GLY 21 HA2 GLY 21 -5.830 -11.760 5.347
172 HA3 GLY 21 HA1 GLY 21 -4.418 -10.804 5.770
173 H ARG 22 HN ARG 22 -5.684 -10.204 7.662
174 HA ARG 22 HA ARG 22 -8.063 -8.659 7.377
175 HB2 ARG 22 HB2 ARG 22 -7.598 -8.086 9.815
176 HB3 ARG 22 HB1 ARG 22 -7.829 -9.787 9.432
177 HG2 ARG 22 HG1 ARG 22 -5.412 -10.127 9.460
178 HG3 ARG 22 HG2 ARG 22 -5.176 -8.419 9.837
179 HD2 ARG 22 HD2 ARG 22 -5.023 -9.786 11.848
180 HD3 ARG 22 HD1 ARG 22 -6.410 -8.699 11.923
181 HE ARG 22 HE ARG 22 -7.197 -11.203 10.882
182 HH11 ARG 22 HH11 ARG 22 -7.141 -10.761 14.862
183 HH12 ARG 22 HH12 ARG 22 -6.243 -9.669 13.862
184 HH21 ARG 22 HH21 ARG 22 -8.383 -12.645 12.192
185 HH22 ARG 22 HH22 ARG 22 -8.358 -12.452 13.913
Start of MODEL 15
1 H1 ACE 0 HA1 ACE 0 5.515 3.871 13.827
2 H2 ACE 0 HA2 ACE 0 6.763 2.945 12.997
3 H3 ACE 0 HA3 ACE 0 5.138 2.272 13.118
4 H MET 1 HN MET 1 3.395 3.647 12.157
5 HA MET 1 HA MET 1 2.438 4.582 10.319
6 HB2 MET 1 HB1 MET 1 3.894 6.517 11.157
7 HB3 MET 1 HB2 MET 1 5.017 6.080 9.875
8 HG2 MET 1 HG1 MET 1 3.611 7.884 9.145
9 HG3 MET 1 HG2 MET 1 3.237 6.430 8.221
10 HE1 MET 1 HE1 MET 1 1.347 8.997 8.300
11 HE2 MET 1 HE2 MET 1 -0.235 8.234 8.461
12 HE3 MET 1 HE3 MET 1 0.972 7.541 7.379
13 H ASN 2 HN ASN 2 2.183 2.947 8.872
14 HA ASN 2 HA ASN 2 4.468 2.073 7.291
15 HB2 ASN 2 HB1 ASN 2 2.789 0.443 8.261
16 HB3 ASN 2 HB2 ASN 2 1.628 1.065 7.093
17 HD21 ASN 2 HD21 ASN 2 3.851 -0.181 4.349
18 HD22 ASN 2 HD22 ASN 2 3.356 1.384 4.875
19 H TRP 3 HN TRP 3 4.900 2.756 5.353
20 HA TRP 3 HA TRP 3 2.941 3.462 3.426
21 HB2 TRP 3 HB1 TRP 3 3.739 5.825 3.119
22 HB3 TRP 3 HB2 TRP 3 2.767 5.547 4.559
23 HD1 TRP 3 HD1 TRP 3 4.118 5.516 6.926
24 HE1 TRP 3 HE1 TRP 3 6.251 6.771 7.627
25 HE3 TRP 3 HE3 TRP 3 5.934 6.586 2.308
26 HZ2 TRP 3 HZ2 TRP 3 8.422 8.050 6.364
27 HZ3 TRP 3 HZ3 TRP 3 8.057 7.830 2.120
28 HH2 TRP 3 HH2 TRP 3 9.278 8.543 4.113
29 H THR 4 HN THR 4 6.273 4.276 4.299
30 HA THR 4 HA THR 4 7.999 4.580 2.697
31 HB THR 4 HB THR 4 7.828 1.589 3.076
32 HG1 THR 4 HG1 THR 4 8.440 3.668 4.889
33 HG21 THR 4 HG21 THR 4 9.629 2.363 1.610
34 HG22 THR 4 HG22 THR 4 10.278 1.742 3.128
35 HG23 THR 4 HG23 THR 4 10.174 3.482 2.861
36 H GLY 5 HN GLY 5 6.104 5.018 0.984
37 HA2 GLY 5 HA1 GLY 5 6.933 3.701 -1.399
38 HA3 GLY 5 HA2 GLY 5 5.357 3.124 -0.876
39 H LEU 6 HN LEU 6 4.874 5.944 0.239
40 HA LEU 6 HA LEU 6 3.416 6.913 -1.972
41 HB2 LEU 6 HB2 LEU 6 3.128 8.947 -0.507
42 HB3 LEU 6 HB1 LEU 6 2.565 7.415 0.133
43 HG LEU 6 HG LEU 6 4.926 7.340 1.255
44 HD11 LEU 6 HD11 LEU 6 5.844 9.287 0.135
45 HD12 LEU 6 HD12 LEU 6 5.765 9.548 1.877
46 HD13 LEU 6 HD13 LEU 6 4.569 10.298 0.818
47 HD21 LEU 6 HD21 LEU 6 2.789 7.440 2.438
48 HD22 LEU 6 HD22 LEU 6 2.784 9.196 2.264
49 HD23 LEU 6 HD23 LEU 6 4.034 8.407 3.229
50 H TYR 7 HN TYR 7 6.495 6.829 -2.157
51 HA TYR 7 HA TYR 7 6.712 9.448 -3.419
52 HB2 TYR 7 HB1 TYR 7 9.079 9.614 -2.624
53 HB3 TYR 7 HB2 TYR 7 7.870 9.725 -1.348
54 HD1 TYR 7 HD1 TYR 7 7.164 7.203 -0.553
55 HD2 TYR 7 HD2 TYR 7 10.974 8.441 -1.963
56 HE1 TYR 7 HE1 TYR 7 8.176 5.358 0.617
57 HE2 TYR 7 HE2 TYR 7 12.028 6.567 -0.760
58 HH TYR 7 HH TYR 7 10.235 3.989 0.534
59 H THR 8 HN THR 8 7.534 6.082 -3.411
60 HA THR 8 HA THR 8 8.461 6.346 -6.171
61 HB THR 8 HB THR 8 10.371 4.865 -5.833
62 HG1 THR 8 HG1 THR 8 9.292 3.985 -3.797
63 HG21 THR 8 HG21 THR 8 11.824 6.382 -4.541
64 HG22 THR 8 HG22 THR 8 10.394 7.233 -3.958
65 HG23 THR 8 HG23 THR 8 10.793 7.255 -5.675
66 H LEU 9 HN LEU 9 6.303 5.080 -4.260
67 HA LEU 9 HA LEU 9 5.866 2.762 -5.940
68 HB2 LEU 9 HB1 LEU 9 6.201 2.534 -2.955
69 HB3 LEU 9 HB2 LEU 9 5.461 1.294 -3.945
70 HG LEU 9 HG LEU 9 8.302 2.264 -4.264
71 HD11 LEU 9 HD21 LEU 9 8.933 0.133 -3.249
72 HD12 LEU 9 HD22 LEU 9 7.232 -0.229 -2.955
73 HD13 LEU 9 HD23 LEU 9 7.999 1.130 -2.136
74 HD21 LEU 9 HD11 LEU 9 7.376 1.396 -6.326
75 HD22 LEU 9 HD12 LEU 9 6.816 -0.053 -5.492
76 HD23 LEU 9 HD13 LEU 9 8.543 0.255 -5.660
77 H LEU 10 HN LEU 10 4.695 5.436 -4.854
78 HA LEU 10 HA LEU 10 2.294 4.948 -3.546
79 HB2 LEU 10 HB2 LEU 10 1.545 7.083 -4.836
80 HB3 LEU 10 HB1 LEU 10 2.786 7.182 -3.605
81 HG LEU 10 HG LEU 10 3.525 6.871 -6.496
82 HD11 LEU 10 HD11 LEU 10 2.016 8.777 -6.372
83 HD12 LEU 10 HD12 LEU 10 3.676 9.302 -6.654
84 HD13 LEU 10 HD13 LEU 10 2.964 9.449 -5.046
85 HD21 LEU 10 HD21 LEU 10 4.947 7.060 -4.060
86 HD22 LEU 10 HD22 LEU 10 5.226 8.552 -4.959
87 HD23 LEU 10 HD23 LEU 10 5.587 6.995 -5.703
88 H SER 11 HN SER 11 2.999 5.039 -7.009
89 HA SER 11 HA SER 11 0.296 4.168 -7.643
90 HB2 SER 11 HB1 SER 11 2.680 4.685 -9.447
91 HB3 SER 11 HB2 SER 11 1.042 4.331 -9.997
92 HG SER 11 HG SER 11 1.291 6.427 -8.206
93 H ARG 12 HN ARG 12 2.554 2.664 -6.211
94 HA ARG 12 HA ARG 12 2.226 0.143 -7.672
95 HB2 ARG 12 HB2 ARG 12 4.796 1.145 -6.431
96 HB3 ARG 12 HB1 ARG 12 4.567 -0.441 -7.159
97 HG2 ARG 12 HG2 ARG 12 4.331 0.491 -9.325
98 HG3 ARG 12 HG1 ARG 12 4.207 2.129 -8.676
99 HD2 ARG 12 HD2 ARG 12 6.517 1.981 -7.873
100 HD3 ARG 12 HD1 ARG 12 6.639 0.349 -8.530
101 HE ARG 12 HE ARG 12 5.877 2.033 -10.610
102 HH11 ARG 12 HH11 ARG 12 8.606 1.564 -8.495
103 HH12 ARG 12 HH12 ARG 12 9.761 2.152 -9.644
104 HH21 ARG 12 HH21 ARG 12 9.070 2.860 -11.708
105 HH22 ARG 12 HH22 ARG 12 7.390 2.809 -12.128
106 H VAL 13 HN VAL 13 1.318 1.633 -5.063
107 HA VAL 13 HA VAL 13 1.891 -0.574 -3.221
108 HB VAL 13 HB VAL 13 2.749 1.442 -2.305
109 HG11 VAL 13 HG21 VAL 13 1.463 3.458 -2.008
110 HG12 VAL 13 HG22 VAL 13 0.036 2.678 -2.689
111 HG13 VAL 13 HG23 VAL 13 1.443 2.983 -3.704
112 HG21 VAL 13 HG11 VAL 13 0.117 0.862 -0.973
113 HG22 VAL 13 HG12 VAL 13 1.510 1.654 -0.234
114 HG23 VAL 13 HG13 VAL 13 1.615 -0.036 -0.729
115 H ASN 14 HN ASN 14 0.218 -1.887 -3.917
116 HA ASN 14 HA ASN 14 -2.493 -1.023 -4.033
117 HB2 ASN 14 HB2 ASN 14 -1.327 -3.806 -3.768
118 HB3 ASN 14 HB1 ASN 14 -3.012 -3.448 -4.137
119 HD21 ASN 14 HD21 ASN 14 -0.113 -2.915 -6.961
120 HD22 ASN 14 HD22 ASN 14 0.287 -2.981 -5.282
121 H ARG 15 HN ARG 15 -0.546 -1.024 -1.525
122 HA ARG 15 HA ARG 15 -0.775 -0.943 0.715
123 HB2 ARG 15 HB1 ARG 15 -3.734 -1.077 0.094
124 HB3 ARG 15 HB2 ARG 15 -3.048 -0.680 1.663
125 HG2 ARG 15 HG1 ARG 15 -1.978 1.297 0.683
126 HG3 ARG 15 HG2 ARG 15 -2.711 0.906 -0.875
127 HD2 ARG 15 HD2 ARG 15 -4.186 1.537 1.680
128 HD3 ARG 15 HD1 ARG 15 -4.000 2.613 0.296
129 HE ARG 15 HE ARG 15 -5.157 0.329 -0.702
130 HH11 ARG 15 HH11 ARG 15 -7.662 2.514 1.533
131 HH12 ARG 15 HH12 ARG 15 -5.951 2.691 1.735
132 HH21 ARG 15 HH21 ARG 15 -7.409 0.089 -0.973
133 HH22 ARG 15 HH22 ARG 15 -8.491 1.036 -0.006
134 H HIS 16 HN HIS 16 -2.149 -2.186 2.597
135 HA HIS 16 HA HIS 16 -1.637 -5.012 2.046
136 HB2 HIS 16 HB2 HIS 16 -2.071 -3.569 4.671
137 HB3 HIS 16 HB1 HIS 16 -1.676 -5.277 4.502
138 HD1 HIS 16 HD1 HIS 16 -0.170 -1.878 4.387
139 HD2 HIS 16 HD2 HIS 16 0.998 -5.819 3.772
140 HE1 HIS 16 HE1 HIS 16 2.344 -1.834 4.333
141 HE2 HIS 16 HE2 HIS 16 3.030 -4.230 3.961
142 H SER 17 HN SER 17 -3.134 -6.637 2.510
143 HA SER 17 HA SER 17 -5.841 -5.990 1.974
144 HB2 SER 17 HB1 SER 17 -4.634 -8.576 2.987
145 HB3 SER 17 HB2 SER 17 -6.267 -8.396 2.343
146 HG SER 17 HG SER 17 -5.356 -8.779 0.494
147 H THR 18 HN THR 18 -7.660 -6.816 3.385
148 HA THR 18 HA THR 18 -7.445 -5.554 5.958
149 HB THR 18 HB THR 18 -9.509 -5.302 4.712
150 HG1 THR 18 HG1 THR 18 -9.860 -6.936 7.025
151 HG21 THR 18 HG21 THR 18 -11.013 -7.199 4.323
152 HG22 THR 18 HG22 THR 18 -9.800 -8.297 4.981
153 HG23 THR 18 HG23 THR 18 -9.475 -7.419 3.487
154 H ALA 19 HN ALA 19 -7.725 -6.513 7.986
155 HA ALA 19 HA ALA 19 -6.774 -9.258 8.136
156 HB1 ALA 19 HB1 ALA 19 -6.461 -8.815 10.511
157 HB2 ALA 19 HB2 ALA 19 -7.260 -7.253 10.336
158 HB3 ALA 19 HB3 ALA 19 -5.718 -7.548 9.534
159 H ILE 20 HN ILE 20 -7.878 -10.957 9.028
160 HA ILE 20 HA ILE 20 -10.768 -10.643 9.189
161 HB ILE 20 HB ILE 20 -9.903 -12.497 7.863
162 HG12 ILE 20 HG12 ILE 20 -11.224 -13.509 10.392
163 HG13 ILE 20 HG11 ILE 20 -12.074 -12.719 9.066
164 HG21 ILE 20 HG21 ILE 20 -7.819 -12.881 9.052
165 HG22 ILE 20 HG22 ILE 20 -8.743 -14.378 8.925
166 HG23 ILE 20 HG23 ILE 20 -8.709 -13.489 10.448
167 HD11 ILE 20 HD11 ILE 20 -11.405 -14.529 7.568
168 HD12 ILE 20 HD12 ILE 20 -12.327 -15.122 8.949
169 HD13 ILE 20 HD13 ILE 20 -10.576 -15.323 8.907
170 H GLY 21 HN GLY 21 -11.996 -11.004 10.994
171 HA2 GLY 21 HA2 GLY 21 -10.709 -10.667 13.528
172 HA3 GLY 21 HA1 GLY 21 -12.432 -10.869 13.255
173 H ARG 22 HN ARG 22 -9.560 -12.338 14.312
174 HA ARG 22 HA ARG 22 -10.839 -14.986 14.343
175 HB2 ARG 22 HB2 ARG 22 -8.473 -15.792 14.850
176 HB3 ARG 22 HB1 ARG 22 -8.777 -15.189 13.226
177 HG2 ARG 22 HG1 ARG 22 -7.762 -13.050 13.827
178 HG3 ARG 22 HG2 ARG 22 -7.455 -13.656 15.457
179 HD2 ARG 22 HD1 ARG 22 -6.032 -15.418 14.531
180 HD3 ARG 22 HD2 ARG 22 -6.338 -14.812 12.904
181 HE ARG 22 HE ARG 22 -5.322 -12.703 14.415
182 HH11 ARG 22 HH11 ARG 22 -2.615 -15.342 13.097
183 HH12 ARG 22 HH12 ARG 22 -4.282 -15.801 13.207
184 HH21 ARG 22 HH21 ARG 22 -1.962 -13.234 13.703
185 HH22 ARG 22 HH22 ARG 22 -3.132 -12.090 14.273
Start of MODEL 16
1 H1 ACE 0 HA1 ACE 0 2.801 0.414 12.152
2 H2 ACE 0 HA2 ACE 0 1.544 1.625 12.395
3 H3 ACE 0 HA3 ACE 0 3.183 1.976 12.938
4 H MET 1 HN MET 1 4.807 2.370 11.401
5 HA MET 1 HA MET 1 3.831 3.725 9.060
6 HB2 MET 1 HB2 MET 1 6.633 3.257 10.088
7 HB3 MET 1 HB1 MET 1 6.250 4.233 8.678
8 HG2 MET 1 HG1 MET 1 4.980 5.770 10.052
9 HG3 MET 1 HG2 MET 1 5.277 4.771 11.474
10 HE1 MET 1 HE1 MET 1 7.443 7.970 12.156
11 HE2 MET 1 HE2 MET 1 6.183 6.908 12.783
12 HE3 MET 1 HE3 MET 1 5.872 7.899 11.357
13 H ASN 2 HN ASN 2 3.144 2.445 7.445
14 HA ASN 2 HA ASN 2 4.950 0.299 6.535
15 HB2 ASN 2 HB1 ASN 2 2.817 -0.615 7.257
16 HB3 ASN 2 HB2 ASN 2 1.946 0.531 6.241
17 HD21 ASN 2 HD21 ASN 2 2.405 0.395 3.883
18 HD22 ASN 2 HD22 ASN 2 2.654 -1.174 3.202
19 H TRP 3 HN TRP 3 3.477 3.277 5.742
20 HA TRP 3 HA TRP 3 2.925 3.335 3.137
21 HB2 TRP 3 HB1 TRP 3 3.962 5.596 3.010
22 HB3 TRP 3 HB2 TRP 3 2.873 5.363 4.371
23 HD1 TRP 3 HD1 TRP 3 4.099 5.064 6.824
24 HE1 TRP 3 HE1 TRP 3 6.273 6.137 7.692
25 HE3 TRP 3 HE3 TRP 3 6.177 6.254 2.374
26 HZ2 TRP 3 HZ2 TRP 3 8.587 7.344 6.587
27 HZ3 TRP 3 HZ3 TRP 3 8.381 7.367 2.328
28 HH2 TRP 3 HH2 TRP 3 9.562 7.895 4.400
29 H THR 4 HN THR 4 6.270 4.039 4.095
30 HA THR 4 HA THR 4 8.083 4.098 2.638
31 HB THR 4 HB THR 4 7.604 1.124 2.788
32 HG1 THR 4 HG1 THR 4 8.152 2.994 4.817
33 HG21 THR 4 HG21 THR 4 10.111 2.809 2.916
34 HG22 THR 4 HG22 THR 4 9.584 1.836 1.542
35 HG23 THR 4 HG23 THR 4 10.048 1.052 3.052
36 H GLY 5 HN GLY 5 5.803 4.517 1.052
37 HA2 GLY 5 HA2 GLY 5 6.740 3.640 -1.494
38 HA3 GLY 5 HA1 GLY 5 5.297 2.761 -1.001
39 H LEU 6 HN LEU 6 5.821 6.098 -0.094
40 HA LEU 6 HA LEU 6 3.646 6.868 -1.929
41 HB2 LEU 6 HB1 LEU 6 3.365 8.782 -0.278
42 HB3 LEU 6 HB2 LEU 6 2.822 7.187 0.202
43 HG LEU 6 HG LEU 6 5.057 6.937 1.391
44 HD11 LEU 6 HD11 LEU 6 6.172 9.027 2.045
45 HD12 LEU 6 HD12 LEU 6 5.132 9.912 0.927
46 HD13 LEU 6 HD13 LEU 6 6.276 8.721 0.311
47 HD21 LEU 6 HD21 LEU 6 4.314 8.143 3.355
48 HD22 LEU 6 HD22 LEU 6 2.960 7.332 2.565
49 HD23 LEU 6 HD23 LEU 6 3.179 9.071 2.372
50 H TYR 7 HN TYR 7 6.603 6.868 -2.345
51 HA TYR 7 HA TYR 7 6.836 9.654 -3.201
52 HB2 TYR 7 HB2 TYR 7 9.352 9.358 -2.810
53 HB3 TYR 7 HB1 TYR 7 8.331 9.557 -1.389
54 HD1 TYR 7 HD1 TYR 7 7.305 7.162 -0.622
55 HD2 TYR 7 HD2 TYR 7 11.041 7.784 -2.543
56 HE1 TYR 7 HE1 TYR 7 8.096 5.069 0.284
57 HE2 TYR 7 HE2 TYR 7 11.872 5.657 -1.615
58 HH TYR 7 HH TYR 7 9.813 3.362 -0.180
59 H THR 8 HN THR 8 7.854 6.320 -3.707
60 HA THR 8 HA THR 8 8.078 6.880 -6.578
61 HB THR 8 HB THR 8 10.068 5.451 -6.754
62 HG1 THR 8 HG1 THR 8 9.403 4.586 -4.432
63 HG21 THR 8 HG21 THR 8 11.696 6.979 -5.727
64 HG22 THR 8 HG22 THR 8 10.402 7.710 -4.775
65 HG23 THR 8 HG23 THR 8 10.398 7.860 -6.533
66 H LEU 9 HN LEU 9 6.396 5.358 -4.405
67 HA LEU 9 HA LEU 9 5.844 3.078 -6.142
68 HB2 LEU 9 HB1 LEU 9 6.356 2.847 -3.182
69 HB3 LEU 9 HB2 LEU 9 5.699 1.567 -4.181
70 HG LEU 9 HG LEU 9 8.421 2.811 -4.588
71 HD11 LEU 9 HD21 LEU 9 9.307 0.759 -3.615
72 HD12 LEU 9 HD22 LEU 9 7.667 0.215 -3.262
73 HD13 LEU 9 HD23 LEU 9 8.315 1.644 -2.456
74 HD21 LEU 9 HD11 LEU 9 7.122 0.359 -5.768
75 HD22 LEU 9 HD12 LEU 9 8.800 0.844 -6.011
76 HD23 LEU 9 HD13 LEU 9 7.493 1.861 -6.616
77 H LEU 10 HN LEU 10 4.587 5.676 -5.278
78 HA LEU 10 HA LEU 10 2.470 5.605 -3.640
79 HB2 LEU 10 HB2 LEU 10 1.692 6.560 -6.305
80 HB3 LEU 10 HB1 LEU 10 1.682 7.393 -4.764
81 HG LEU 10 HG LEU 10 4.093 6.990 -6.541
82 HD11 LEU 10 HD11 LEU 10 2.504 9.464 -5.880
83 HD12 LEU 10 HD12 LEU 10 2.512 8.618 -7.426
84 HD13 LEU 10 HD13 LEU 10 3.977 9.410 -6.848
85 HD21 LEU 10 HD21 LEU 10 3.851 8.506 -3.951
86 HD22 LEU 10 HD22 LEU 10 5.279 8.408 -4.979
87 HD23 LEU 10 HD23 LEU 10 4.683 6.964 -4.159
88 H SER 11 HN SER 11 1.778 4.925 -7.055
89 HA SER 11 HA SER 11 -0.520 3.366 -6.379
90 HB2 SER 11 HB2 SER 11 -0.690 2.968 -8.813
91 HB3 SER 11 HB1 SER 11 -0.453 4.678 -8.449
92 HG SER 11 HG SER 11 0.889 3.865 -10.168
93 H ARG 12 HN ARG 12 2.652 2.692 -6.154
94 HA ARG 12 HA ARG 12 2.408 -0.125 -6.932
95 HB2 ARG 12 HB1 ARG 12 4.841 1.529 -6.239
96 HB3 ARG 12 HB2 ARG 12 4.877 -0.166 -6.704
97 HG2 ARG 12 HG1 ARG 12 4.078 0.367 -8.905
98 HG3 ARG 12 HG2 ARG 12 3.838 2.056 -8.450
99 HD2 ARG 12 HD1 ARG 12 6.249 2.288 -8.066
100 HD3 ARG 12 HD2 ARG 12 6.482 0.604 -8.537
101 HE ARG 12 HE ARG 12 5.147 2.006 -10.592
102 HH11 ARG 12 HH11 ARG 12 8.281 1.689 -9.101
103 HH12 ARG 12 HH12 ARG 12 9.150 2.131 -10.532
104 HH21 ARG 12 HH21 ARG 12 6.284 2.587 -12.482
105 HH22 ARG 12 HH22 ARG 12 8.014 2.641 -12.454
106 H VAL 13 HN VAL 13 1.543 1.467 -4.391
107 HA VAL 13 HA VAL 13 3.021 0.109 -2.315
108 HB VAL 13 HB VAL 13 2.181 2.458 -2.060
109 HG11 VAL 13 HG21 VAL 13 -0.137 2.842 -1.553
110 HG12 VAL 13 HG22 VAL 13 -0.491 1.122 -1.700
111 HG13 VAL 13 HG23 VAL 13 -0.016 2.047 -3.123
112 HG21 VAL 13 HG11 VAL 13 1.201 0.480 -0.013
113 HG22 VAL 13 HG12 VAL 13 1.523 2.193 0.266
114 HG23 VAL 13 HG13 VAL 13 2.847 1.100 -0.137
115 H ASN 14 HN ASN 14 0.733 -0.875 -4.355
116 HA ASN 14 HA ASN 14 -0.827 -2.526 -4.399
117 HB2 ASN 14 HB2 ASN 14 0.821 -3.419 -2.032
118 HB3 ASN 14 HB1 ASN 14 -0.484 -4.387 -2.708
119 HD21 ASN 14 HD21 ASN 14 2.448 -3.685 -5.434
120 HD22 ASN 14 HD22 ASN 14 1.628 -2.387 -4.646
121 H ARG 15 HN ARG 15 -1.128 -0.079 -2.615
122 HA ARG 15 HA ARG 15 -2.501 0.776 -1.006
123 HB2 ARG 15 HB1 ARG 15 -4.843 0.427 -1.466
124 HB3 ARG 15 HB2 ARG 15 -3.963 0.501 -2.985
125 HG2 ARG 15 HG1 ARG 15 -4.039 -1.935 -3.151
126 HG3 ARG 15 HG2 ARG 15 -4.925 -2.008 -1.626
127 HD2 ARG 15 HD1 ARG 15 -6.436 -2.191 -3.534
128 HD3 ARG 15 HD2 ARG 15 -6.746 -0.720 -2.613
129 HE ARG 15 HE ARG 15 -4.970 -0.067 -4.651
130 HH11 ARG 15 HH11 ARG 15 -8.252 -1.192 -4.314
131 HH12 ARG 15 HH12 ARG 15 -8.795 -0.442 -5.778
132 HH21 ARG 15 HH21 ARG 15 -5.678 0.924 -6.579
133 HH22 ARG 15 HH22 ARG 15 -7.332 0.760 -7.065
134 H HIS 16 HN HIS 16 -4.824 -0.362 0.195
135 HA HIS 16 HA HIS 16 -3.570 -1.753 2.364
136 HB2 HIS 16 HB1 HIS 16 -6.490 -1.139 1.862
137 HB3 HIS 16 HB2 HIS 16 -5.820 -1.738 3.376
138 HD1 HIS 16 HD1 HIS 16 -6.409 1.342 1.464
139 HD2 HIS 16 HD2 HIS 16 -4.136 0.165 4.737
140 HE1 HIS 16 HE1 HIS 16 -5.709 3.475 2.600
141 HE2 HIS 16 HE2 HIS 16 -4.335 2.738 4.578
142 H SER 17 HN SER 17 -3.499 -3.877 2.763
143 HA SER 17 HA SER 17 -5.320 -5.676 1.349
144 HB2 SER 17 HB1 SER 17 -2.306 -5.971 1.313
145 HB3 SER 17 HB2 SER 17 -3.452 -7.163 0.700
146 HG SER 17 HG SER 17 -2.734 -4.674 -0.347
147 H THR 18 HN THR 18 -5.009 -7.987 2.169
148 HA THR 18 HA THR 18 -4.725 -7.866 5.090
149 HB THR 18 HB THR 18 -6.132 -9.942 3.397
150 HG1 THR 18 HG1 THR 18 -7.111 -7.763 4.953
151 HG21 THR 18 HG21 THR 18 -5.297 -10.856 5.508
152 HG22 THR 18 HG22 THR 18 -7.057 -10.731 5.527
153 HG23 THR 18 HG23 THR 18 -6.079 -9.545 6.392
154 H ALA 19 HN ALA 19 -3.163 -8.954 6.108
155 HA ALA 19 HA ALA 19 -1.517 -10.810 4.520
156 HB1 ALA 19 HB1 ALA 19 0.324 -10.264 6.031
157 HB2 ALA 19 HB2 ALA 19 -0.733 -9.178 6.933
158 HB3 ALA 19 HB3 ALA 19 -0.319 -8.815 5.257
159 H ILE 20 HN ILE 20 -1.836 -12.876 4.986
160 HA ILE 20 HA ILE 20 -2.926 -13.635 7.582
161 HB ILE 20 HB ILE 20 -2.454 -15.271 5.085
162 HG12 ILE 20 HG11 ILE 20 -5.031 -15.362 5.218
163 HG13 ILE 20 HG12 ILE 20 -4.889 -13.995 6.319
164 HG21 ILE 20 HG21 ILE 20 -2.224 -16.686 7.030
165 HG22 ILE 20 HG22 ILE 20 -3.756 -17.029 6.225
166 HG23 ILE 20 HG23 ILE 20 -3.731 -16.061 7.700
167 HD11 ILE 20 HD11 ILE 20 -3.823 -12.678 4.599
168 HD12 ILE 20 HD12 ILE 20 -5.362 -13.313 4.015
169 HD13 ILE 20 HD13 ILE 20 -3.848 -14.055 3.497
170 H GLY 21 HN GLY 21 -1.730 -14.451 9.175
171 HA2 GLY 21 HA1 GLY 21 -0.077 -15.881 10.082
172 HA3 GLY 21 HA2 GLY 21 0.762 -15.851 8.538
173 H ARG 22 HN ARG 22 -0.014 -13.889 11.380
174 HA ARG 22 HA ARG 22 2.177 -12.067 10.758
175 HB2 ARG 22 HB2 ARG 22 0.157 -12.018 13.008
176 HB3 ARG 22 HB1 ARG 22 1.351 -10.768 12.688
177 HG2 ARG 22 HG1 ARG 22 0.313 -10.322 10.524
178 HG3 ARG 22 HG2 ARG 22 -0.884 -11.580 10.839
179 HD2 ARG 22 HD2 ARG 22 -1.794 -9.373 11.318
180 HD3 ARG 22 HD1 ARG 22 -1.679 -10.341 12.787
181 HE ARG 22 HE ARG 22 0.656 -8.827 12.563
182 HH11 ARG 22 HH11 ARG 22 -2.548 -6.899 13.995
183 HH12 ARG 22 HH12 ARG 22 -2.758 -8.350 13.072
184 HH21 ARG 22 HH21 ARG 22 -0.445 -6.085 14.395
185 HH22 ARG 22 HH22 ARG 22 0.942 -6.918 13.777
Start of MODEL 17
1 H1 ACE 0 HA1 ACE 0 8.379 -3.661 10.549
2 H2 ACE 0 HA2 ACE 0 7.060 -3.055 11.548
3 H3 ACE 0 HA3 ACE 0 8.480 -2.041 11.302
4 H MET 1 HN MET 1 8.050 -0.409 10.021
5 HA MET 1 HA MET 1 5.859 -0.406 8.197
6 HB2 MET 1 HB2 MET 1 6.622 1.832 7.593
7 HB3 MET 1 HB1 MET 1 6.604 1.634 9.339
8 HG2 MET 1 HG2 MET 1 9.032 1.239 9.295
9 HG3 MET 1 HG1 MET 1 9.024 1.522 7.554
10 HE1 MET 1 HE1 MET 1 10.769 4.740 8.946
11 HE2 MET 1 HE2 MET 1 10.897 3.384 7.826
12 HE3 MET 1 HE3 MET 1 10.922 3.096 9.567
13 H ASN 2 HN ASN 2 5.911 -0.272 5.922
14 HA ASN 2 HA ASN 2 8.437 -0.971 4.612
15 HB2 ASN 2 HB1 ASN 2 7.324 -3.108 4.989
16 HB3 ASN 2 HB2 ASN 2 5.846 -2.494 4.253
17 HD21 ASN 2 HD21 ASN 2 7.025 -2.746 0.926
18 HD22 ASN 2 HD22 ASN 2 5.965 -1.869 1.971
19 H TRP 3 HN TRP 3 5.588 0.825 4.682
20 HA TRP 3 HA TRP 3 4.604 1.170 2.238
21 HB2 TRP 3 HB1 TRP 3 4.425 3.613 2.675
22 HB3 TRP 3 HB2 TRP 3 3.864 2.598 3.997
23 HD1 TRP 3 HD1 TRP 3 5.483 2.496 6.193
24 HE1 TRP 3 HE1 TRP 3 7.076 4.279 7.151
25 HE3 TRP 3 HE3 TRP 3 6.011 5.340 2.046
26 HZ2 TRP 3 HZ2 TRP 3 8.387 6.614 6.226
27 HZ3 TRP 3 HZ3 TRP 3 7.451 7.345 2.130
28 HH2 TRP 3 HH2 TRP 3 8.620 7.962 4.185
29 H THR 4 HN THR 4 7.439 3.071 3.207
30 HA THR 4 HA THR 4 8.694 4.391 1.713
31 HB THR 4 HB THR 4 9.729 1.619 1.138
32 HG1 THR 4 HG1 THR 4 9.626 3.061 3.550
33 HG21 THR 4 HG21 THR 4 11.913 2.737 1.285
34 HG22 THR 4 HG22 THR 4 11.102 4.272 1.593
35 HG23 THR 4 HG23 THR 4 10.898 3.463 0.039
36 H GLY 5 HN GLY 5 6.361 4.146 0.316
37 HA2 GLY 5 HA2 GLY 5 7.217 4.281 -2.375
38 HA3 GLY 5 HA1 GLY 5 6.427 2.739 -2.082
39 H LEU 6 HN LEU 6 5.379 5.512 -0.291
40 HA LEU 6 HA LEU 6 2.889 5.558 -1.860
41 HB2 LEU 6 HB1 LEU 6 2.039 6.780 0.227
42 HB3 LEU 6 HB2 LEU 6 2.325 5.055 0.339
43 HG LEU 6 HG LEU 6 4.600 5.646 1.316
44 HD11 LEU 6 HD11 LEU 6 3.275 8.336 1.595
45 HD12 LEU 6 HD12 LEU 6 4.715 7.966 0.645
46 HD13 LEU 6 HD13 LEU 6 4.762 7.840 2.405
47 HD21 LEU 6 HD21 LEU 6 3.702 5.970 3.551
48 HD22 LEU 6 HD22 LEU 6 2.766 4.773 2.654
49 HD23 LEU 6 HD23 LEU 6 2.136 6.407 2.865
50 H TYR 7 HN TYR 7 5.479 6.997 -2.338
51 HA TYR 7 HA TYR 7 4.337 9.641 -2.715
52 HB2 TYR 7 HB2 TYR 7 6.478 10.673 -1.923
53 HB3 TYR 7 HB1 TYR 7 5.538 9.877 -0.664
54 HD1 TYR 7 HD1 TYR 7 6.137 7.179 -0.700
55 HD2 TYR 7 HD2 TYR 7 8.768 10.389 -1.602
56 HE1 TYR 7 HE1 TYR 7 8.012 5.762 -0.167
57 HE2 TYR 7 HE2 TYR 7 10.697 8.964 -1.037
58 HH TYR 7 HH TYR 7 10.437 5.602 -0.658
59 H THR 8 HN THR 8 7.050 7.457 -3.435
60 HA THR 8 HA THR 8 7.365 8.855 -6.013
61 HB THR 8 HB THR 8 9.719 7.984 -6.010
62 HG1 THR 8 HG1 THR 8 9.092 6.428 -4.202
63 HG21 THR 8 HG21 THR 8 8.889 9.859 -3.794
64 HG22 THR 8 HG22 THR 8 9.307 10.293 -5.450
65 HG23 THR 8 HG23 THR 8 10.544 9.659 -4.367
66 H LEU 9 HN LEU 9 5.790 6.348 -5.101
67 HA LEU 9 HA LEU 9 6.424 4.823 -7.478
68 HB2 LEU 9 HB1 LEU 9 6.647 3.688 -4.713
69 HB3 LEU 9 HB2 LEU 9 6.353 2.670 -6.110
70 HG LEU 9 HG LEU 9 8.762 4.459 -5.742
71 HD11 LEU 9 HD21 LEU 9 9.999 2.375 -5.434
72 HD12 LEU 9 HD22 LEU 9 8.486 1.471 -5.500
73 HD13 LEU 9 HD23 LEU 9 8.781 2.602 -4.179
74 HD21 LEU 9 HD11 LEU 9 9.647 3.264 -7.690
75 HD22 LEU 9 HD12 LEU 9 8.181 4.160 -8.084
76 HD23 LEU 9 HD13 LEU 9 8.112 2.412 -7.859
77 H LEU 10 HN LEU 10 4.520 5.000 -4.585
78 HA LEU 10 HA LEU 10 2.333 4.631 -4.109
79 HB2 LEU 10 HB1 LEU 10 1.730 5.289 -6.970
80 HB3 LEU 10 HB2 LEU 10 0.790 5.660 -5.536
81 HG LEU 10 HG LEU 10 3.286 7.003 -6.535
82 HD11 LEU 10 HD11 LEU 10 1.921 9.017 -6.286
83 HD12 LEU 10 HD12 LEU 10 0.578 8.032 -5.708
84 HD13 LEU 10 HD13 LEU 10 1.161 7.843 -7.361
85 HD21 LEU 10 HD21 LEU 10 2.115 7.204 -3.764
86 HD22 LEU 10 HD22 LEU 10 3.332 8.291 -4.430
87 HD23 LEU 10 HD23 LEU 10 3.714 6.584 -4.189
88 H SER 11 HN SER 11 4.012 2.530 -5.680
89 HA SER 11 HA SER 11 1.762 0.775 -6.401
90 HB2 SER 11 HB2 SER 11 3.361 1.144 -8.239
91 HB3 SER 11 HB1 SER 11 4.680 0.591 -7.208
92 HG SER 11 HG SER 11 3.909 -1.446 -7.288
93 H ARG 12 HN ARG 12 3.883 1.508 -4.015
94 HA ARG 12 HA ARG 12 4.177 -1.233 -3.029
95 HB2 ARG 12 HB1 ARG 12 5.485 1.378 -2.279
96 HB3 ARG 12 HB2 ARG 12 5.670 -0.080 -1.312
97 HG2 ARG 12 HG1 ARG 12 6.692 -1.224 -3.197
98 HG3 ARG 12 HG2 ARG 12 6.464 0.209 -4.203
99 HD2 ARG 12 HD1 ARG 12 7.966 1.484 -2.834
100 HD3 ARG 12 HD2 ARG 12 8.081 0.171 -1.661
101 HE ARG 12 HE ARG 12 8.905 -0.680 -4.244
102 HH11 ARG 12 HH11 ARG 12 11.628 0.875 -1.752
103 HH12 ARG 12 HH12 ARG 12 9.941 1.153 -1.467
104 HH21 ARG 12 HH21 ARG 12 11.123 -1.052 -4.625
105 HH22 ARG 12 HH22 ARG 12 12.298 -0.378 -3.546
106 H VAL 13 HN VAL 13 1.928 1.022 -2.930
107 HA VAL 13 HA VAL 13 1.376 0.947 -0.070
108 HB VAL 13 HB VAL 13 -0.419 2.302 -2.035
109 HG11 VAL 13 HG11 VAL 13 0.554 3.047 0.721
110 HG12 VAL 13 HG12 VAL 13 -0.981 2.258 0.352
111 HG13 VAL 13 HG13 VAL 13 -0.673 3.899 -0.216
112 HG21 VAL 13 HG21 VAL 13 1.005 4.301 -2.001
113 HG22 VAL 13 HG22 VAL 13 1.799 2.938 -2.791
114 HG23 VAL 13 HG23 VAL 13 2.249 3.390 -1.147
115 H ASN 14 HN ASN 14 -1.547 1.336 -1.131
116 HA ASN 14 HA ASN 14 -2.155 -1.538 -1.299
117 HB2 ASN 14 HB1 ASN 14 -4.384 -0.843 -0.233
118 HB3 ASN 14 HB2 ASN 14 -2.962 -0.873 0.804
119 HD21 ASN 14 HD21 ASN 14 -3.850 2.898 -0.422
120 HD22 ASN 14 HD22 ASN 14 -3.549 1.633 -1.559
121 H ARG 15 HN ARG 15 -2.020 1.105 -3.133
122 HA ARG 15 HA ARG 15 -4.593 0.947 -4.433
123 HB2 ARG 15 HB2 ARG 15 -2.078 2.451 -5.184
124 HB3 ARG 15 HB1 ARG 15 -3.629 2.613 -5.996
125 HG2 ARG 15 HG1 ARG 15 -4.631 3.453 -3.938
126 HG3 ARG 15 HG2 ARG 15 -3.084 3.273 -3.109
127 HD2 ARG 15 HD1 ARG 15 -2.070 4.878 -4.653
128 HD3 ARG 15 HD2 ARG 15 -3.617 5.058 -5.481
129 HE ARG 15 HE ARG 15 -4.071 5.633 -2.809
130 HH11 ARG 15 HH11 ARG 15 -2.162 6.909 -5.431
131 HH12 ARG 15 HH12 ARG 15 -2.204 8.536 -4.841
132 HH21 ARG 15 HH21 ARG 15 -4.131 7.774 -2.024
133 HH22 ARG 15 HH22 ARG 15 -3.323 9.028 -2.904
134 H HIS 16 HN HIS 16 -4.741 0.593 -6.801
135 HA HIS 16 HA HIS 16 -2.696 -1.121 -7.956
136 HB2 HIS 16 HB1 HIS 16 -4.322 -2.910 -8.491
137 HB3 HIS 16 HB2 HIS 16 -4.077 -2.724 -6.758
138 HD1 HIS 16 HD1 HIS 16 -6.038 -1.483 -5.439
139 HD2 HIS 16 HD2 HIS 16 -6.913 -2.623 -9.340
140 HE1 HIS 16 HE1 HIS 16 -8.544 -1.381 -5.624
141 HE2 HIS 16 HE2 HIS 16 -9.053 -2.074 -7.992
142 H SER 17 HN SER 17 -2.698 -1.144 -10.179
143 HA SER 17 HA SER 17 -4.613 0.690 -11.455
144 HB2 SER 17 HB2 SER 17 -2.286 1.433 -11.597
145 HB3 SER 17 HB1 SER 17 -1.823 -0.105 -12.325
146 HG SER 17 HG SER 17 -2.126 1.208 -14.028
147 H THR 18 HN THR 18 -5.759 0.070 -13.232
148 HA THR 18 HA THR 18 -6.082 -2.743 -13.668
149 HB THR 18 HB THR 18 -7.283 -0.438 -15.218
150 HG1 THR 18 HG1 THR 18 -8.569 -1.951 -13.195
151 HG21 THR 18 HG21 THR 18 -7.395 -2.580 -16.408
152 HG22 THR 18 HG22 THR 18 -8.993 -2.061 -15.872
153 HG23 THR 18 HG23 THR 18 -8.137 -3.328 -14.993
154 H ALA 19 HN ALA 19 -4.651 -3.865 -14.816
155 HA ALA 19 HA ALA 19 -3.246 -2.597 -17.043
156 HB1 ALA 19 HB1 ALA 19 -1.919 -3.820 -15.387
157 HB2 ALA 19 HB2 ALA 19 -1.782 -4.541 -16.991
158 HB3 ALA 19 HB3 ALA 19 -2.807 -5.296 -15.769
159 H ILE 20 HN ILE 20 -3.786 -2.934 -19.096
160 HA ILE 20 HA ILE 20 -5.824 -4.943 -19.699
161 HB ILE 20 HB ILE 20 -6.276 -2.681 -20.479
162 HG12 ILE 20 HG11 ILE 20 -6.640 -3.180 -22.896
163 HG13 ILE 20 HG12 ILE 20 -5.637 -4.615 -22.717
164 HG21 ILE 20 HG21 ILE 20 -3.995 -1.884 -20.711
165 HG22 ILE 20 HG22 ILE 20 -4.888 -1.635 -22.211
166 HG23 ILE 20 HG23 ILE 20 -3.737 -2.965 -22.080
167 HD11 ILE 20 HD11 ILE 20 -7.232 -5.524 -21.108
168 HD12 ILE 20 HD12 ILE 20 -7.990 -5.182 -22.663
169 HD13 ILE 20 HD13 ILE 20 -8.238 -4.089 -21.301
170 H GLY 21 HN GLY 21 -5.526 -6.620 -21.098
171 HA2 GLY 21 HA2 GLY 21 -2.759 -7.284 -21.725
172 HA3 GLY 21 HA1 GLY 21 -4.140 -8.363 -21.842
173 H ARG 22 HN ARG 22 -1.871 -7.338 -23.700
174 HA ARG 22 HA ARG 22 -3.455 -6.305 -25.916
175 HB2 ARG 22 HB2 ARG 22 -0.489 -6.871 -25.741
176 HB3 ARG 22 HB1 ARG 22 -1.302 -6.052 -27.068
177 HG2 ARG 22 HG1 ARG 22 -1.173 -5.054 -24.229
178 HG3 ARG 22 HG2 ARG 22 -0.157 -4.495 -25.560
179 HD2 ARG 22 HD2 ARG 22 -3.163 -4.285 -25.413
180 HD3 ARG 22 HD1 ARG 22 -2.020 -2.967 -25.163
181 HE ARG 22 HE ARG 22 -1.532 -4.096 -27.676
182 HH11 ARG 22 HH11 ARG 22 -4.563 -1.487 -27.460
183 HH12 ARG 22 HH12 ARG 22 -3.989 -2.261 -26.020
184 HH21 ARG 22 HH21 ARG 22 -3.591 -1.953 -29.480
185 HH22 ARG 22 HH22 ARG 22 -2.281 -3.081 -29.576
Start of MODEL 18
1 H1 ACE 0 HA1 ACE 0 3.647 0.164 12.476
2 H2 ACE 0 HA2 ACE 0 2.141 0.979 12.890
3 H3 ACE 0 HA3 ACE 0 3.666 1.676 13.433
4 H MET 1 HN MET 1 4.941 0.965 10.848
5 HA MET 1 HA MET 1 3.585 2.854 9.058
6 HB2 MET 1 HB2 MET 1 6.509 2.938 9.818
7 HB3 MET 1 HB1 MET 1 5.792 3.874 8.514
8 HG2 MET 1 HG2 MET 1 4.360 5.024 10.116
9 HG3 MET 1 HG1 MET 1 5.064 4.077 11.427
10 HE1 MET 1 HE1 MET 1 4.905 7.265 11.405
11 HE2 MET 1 HE2 MET 1 6.507 7.687 12.010
12 HE3 MET 1 HE3 MET 1 5.616 6.348 12.733
13 H ASN 2 HN ASN 2 3.073 1.591 7.380
14 HA ASN 2 HA ASN 2 5.117 -0.263 6.349
15 HB2 ASN 2 HB2 ASN 2 3.066 -1.409 6.969
16 HB3 ASN 2 HB1 ASN 2 2.111 -0.290 6.000
17 HD21 ASN 2 HD21 ASN 2 3.047 -1.738 2.885
18 HD22 ASN 2 HD22 ASN 2 2.665 -0.234 3.644
19 H TRP 3 HN TRP 3 3.354 2.594 5.680
20 HA TRP 3 HA TRP 3 2.866 2.739 3.067
21 HB2 TRP 3 HB2 TRP 3 3.643 5.103 3.095
22 HB3 TRP 3 HB1 TRP 3 2.562 4.674 4.413
23 HD1 TRP 3 HD1 TRP 3 3.756 4.389 6.876
24 HE1 TRP 3 HE1 TRP 3 5.786 5.634 7.857
25 HE3 TRP 3 HE3 TRP 3 5.801 6.013 2.549
26 HZ2 TRP 3 HZ2 TRP 3 7.987 7.126 6.877
27 HZ3 TRP 3 HZ3 TRP 3 7.878 7.348 2.620
28 HH2 TRP 3 HH2 TRP 3 8.949 7.887 4.748
29 H THR 4 HN THR 4 6.091 3.720 4.182
30 HA THR 4 HA THR 4 7.925 4.072 2.785
31 HB THR 4 HB THR 4 7.775 1.059 2.774
32 HG1 THR 4 HG1 THR 4 8.065 2.870 4.907
33 HG21 THR 4 HG21 THR 4 10.204 1.240 3.109
34 HG22 THR 4 HG22 THR 4 10.077 2.997 3.057
35 HG23 THR 4 HG23 THR 4 9.694 2.044 1.625
36 H GLY 5 HN GLY 5 5.694 4.359 1.129
37 HA2 GLY 5 HA2 GLY 5 6.788 3.730 -1.415
38 HA3 GLY 5 HA1 GLY 5 5.461 2.644 -1.025
39 H LEU 6 HN LEU 6 5.501 5.960 0.086
40 HA LEU 6 HA LEU 6 3.276 6.534 -1.758
41 HB2 LEU 6 HB2 LEU 6 2.764 8.343 -0.025
42 HB3 LEU 6 HB1 LEU 6 2.393 6.677 0.369
43 HG LEU 6 HG LEU 6 4.606 6.603 1.598
44 HD11 LEU 6 HD11 LEU 6 4.427 9.587 1.232
45 HD12 LEU 6 HD12 LEU 6 5.679 8.523 0.593
46 HD13 LEU 6 HD13 LEU 6 5.526 8.757 2.335
47 HD21 LEU 6 HD21 LEU 6 2.471 6.771 2.752
48 HD22 LEU 6 HD22 LEU 6 2.525 8.527 2.603
49 HD23 LEU 6 HD23 LEU 6 3.728 7.687 3.584
50 H TYR 7 HN TYR 7 6.260 6.934 -2.043
51 HA TYR 7 HA TYR 7 6.158 9.764 -2.781
52 HB2 TYR 7 HB2 TYR 7 8.697 9.714 -2.402
53 HB3 TYR 7 HB1 TYR 7 7.658 9.739 -0.979
54 HD1 TYR 7 HD1 TYR 7 6.897 7.249 -0.287
55 HD2 TYR 7 HD2 TYR 7 10.518 8.280 -2.251
56 HE1 TYR 7 HE1 TYR 7 7.895 5.201 0.519
57 HE2 TYR 7 HE2 TYR 7 11.558 6.203 -1.425
58 HH TYR 7 HH TYR 7 9.746 3.675 -0.046
59 H THR 8 HN THR 8 7.471 6.581 -3.515
60 HA THR 8 HA THR 8 7.603 7.333 -6.337
61 HB THR 8 HB THR 8 9.805 6.194 -6.589
62 HG1 THR 8 HG1 THR 8 9.380 5.343 -4.201
63 HG21 THR 8 HG21 THR 8 9.788 8.564 -4.715
64 HG22 THR 8 HG22 THR 8 9.699 8.632 -6.476
65 HG23 THR 8 HG23 THR 8 11.160 8.035 -5.690
66 H LEU 9 HN LEU 9 6.139 5.466 -4.334
67 HA LEU 9 HA LEU 9 6.072 3.197 -6.164
68 HB2 LEU 9 HB1 LEU 9 6.483 2.935 -3.193
69 HB3 LEU 9 HB2 LEU 9 6.080 1.603 -4.258
70 HG LEU 9 HG LEU 9 8.578 3.277 -4.516
71 HD11 LEU 9 HD21 LEU 9 8.206 0.559 -3.277
72 HD12 LEU 9 HD22 LEU 9 8.587 2.051 -2.417
73 HD13 LEU 9 HD23 LEU 9 9.749 1.367 -3.554
74 HD21 LEU 9 HD11 LEU 9 7.753 0.676 -5.797
75 HD22 LEU 9 HD12 LEU 9 9.326 1.455 -5.973
76 HD23 LEU 9 HD13 LEU 9 7.878 2.242 -6.599
77 H LEU 10 HN LEU 10 4.420 5.541 -4.949
78 HA LEU 10 HA LEU 10 2.231 4.841 -3.559
79 HB2 LEU 10 HB2 LEU 10 2.269 6.505 -6.071
80 HB3 LEU 10 HB1 LEU 10 0.938 6.459 -4.935
81 HG LEU 10 HG LEU 10 2.574 7.287 -3.179
82 HD11 LEU 10 HD21 LEU 10 4.713 7.009 -3.915
83 HD12 LEU 10 HD22 LEU 10 4.438 8.675 -4.430
84 HD13 LEU 10 HD23 LEU 10 4.296 7.359 -5.596
85 HD21 LEU 10 HD11 LEU 10 0.893 8.726 -4.187
86 HD22 LEU 10 HD12 LEU 10 1.973 9.058 -5.541
87 HD23 LEU 10 HD13 LEU 10 2.395 9.612 -3.921
88 H SER 11 HN SER 11 2.001 4.854 -7.105
89 HA SER 11 HA SER 11 -0.147 2.926 -7.006
90 HB2 SER 11 HB1 SER 11 -0.218 4.800 -8.607
91 HB3 SER 11 HB2 SER 11 1.238 4.183 -9.389
92 HG SER 11 HG SER 11 -1.126 2.649 -9.122
93 H ARG 12 HN ARG 12 2.815 2.352 -6.365
94 HA ARG 12 HA ARG 12 3.114 0.045 -8.157
95 HB2 ARG 12 HB2 ARG 12 5.234 1.560 -6.634
96 HB3 ARG 12 HB1 ARG 12 5.529 0.119 -7.596
97 HG2 ARG 12 HG2 ARG 12 4.822 1.295 -9.604
98 HG3 ARG 12 HG1 ARG 12 4.472 2.736 -8.647
99 HD2 ARG 12 HD2 ARG 12 6.629 2.940 -9.750
100 HD3 ARG 12 HD1 ARG 12 6.825 2.877 -7.998
101 HE ARG 12 HE ARG 12 7.077 0.279 -8.975
102 HH11 ARG 12 HH11 ARG 12 10.306 2.609 -9.407
103 HH12 ARG 12 HH12 ARG 12 8.749 3.331 -9.178
104 HH21 ARG 12 HH21 ARG 12 10.518 0.329 -9.465
105 HH22 ARG 12 HH22 ARG 12 9.122 -0.680 -9.277
106 H VAL 13 HN VAL 13 2.256 0.897 -5.081
107 HA VAL 13 HA VAL 13 3.188 -1.618 -3.929
108 HB VAL 13 HB VAL 13 2.576 -0.560 -1.759
109 HG11 VAL 13 HG21 VAL 13 4.540 0.911 -1.670
110 HG12 VAL 13 HG22 VAL 13 4.625 0.866 -3.431
111 HG13 VAL 13 HG23 VAL 13 4.877 -0.610 -2.498
112 HG21 VAL 13 HG11 VAL 13 0.979 1.067 -2.480
113 HG22 VAL 13 HG12 VAL 13 2.190 1.859 -3.485
114 HG23 VAL 13 HG13 VAL 13 2.338 1.904 -1.729
115 H ASN 14 HN ASN 14 0.945 -0.839 -1.866
116 HA ASN 14 HA ASN 14 -1.294 -1.999 -3.374
117 HB2 ASN 14 HB2 ASN 14 -0.454 -2.736 -0.560
118 HB3 ASN 14 HB1 ASN 14 -1.887 -3.337 -1.387
119 HD21 ASN 14 HD21 ASN 14 0.498 -4.915 -3.855
120 HD22 ASN 14 HD22 ASN 14 -0.521 -3.524 -3.960
121 H ARG 15 HN ARG 15 -0.240 -0.062 -0.631
122 HA ARG 15 HA ARG 15 -1.208 1.640 0.517
123 HB2 ARG 15 HB2 ARG 15 -1.546 2.604 -1.711
124 HB3 ARG 15 HB1 ARG 15 -3.068 1.737 -1.865
125 HG2 ARG 15 HG2 ARG 15 -3.992 3.003 0.001
126 HG3 ARG 15 HG1 ARG 15 -2.461 3.862 0.180
127 HD2 ARG 15 HD1 ARG 15 -4.250 3.915 -2.247
128 HD3 ARG 15 HD2 ARG 15 -4.091 5.200 -1.050
129 HE ARG 15 HE ARG 15 -1.550 4.657 -2.053
130 HH11 ARG 15 HH11 ARG 15 -4.600 5.910 -3.179
131 HH12 ARG 15 HH12 ARG 15 -3.886 6.915 -4.396
132 HH21 ARG 15 HH21 ARG 15 -0.600 5.977 -3.653
133 HH22 ARG 15 HH22 ARG 15 -1.611 6.952 -4.665
134 H HIS 16 HN HIS 16 -2.108 0.972 2.349
135 HA HIS 16 HA HIS 16 -4.934 0.437 2.438
136 HB2 HIS 16 HB2 HIS 16 -4.689 -1.754 3.594
137 HB3 HIS 16 HB1 HIS 16 -4.177 -1.798 1.911
138 HD1 HIS 16 HD1 HIS 16 -1.498 -1.670 1.548
139 HD2 HIS 16 HD2 HIS 16 -2.817 -2.634 5.368
140 HE1 HIS 16 HE1 HIS 16 0.488 -2.689 2.708
141 HE2 HIS 16 HE2 HIS 16 -0.332 -3.264 5.020
142 H SER 17 HN SER 17 -5.815 0.879 4.418
143 HA SER 17 HA SER 17 -3.923 1.656 6.540
144 HB2 SER 17 HB2 SER 17 -6.604 2.901 5.877
145 HB3 SER 17 HB1 SER 17 -5.568 3.369 7.226
146 HG SER 17 HG SER 17 -4.533 4.589 5.884
147 H THR 18 HN THR 18 -6.412 -0.415 5.667
148 HA THR 18 HA THR 18 -7.658 -1.955 6.782
149 HB THR 18 HB THR 18 -5.777 -1.390 9.082
150 HG1 THR 18 HG1 THR 18 -5.655 -3.288 6.956
151 HG21 THR 18 HG21 THR 18 -7.549 -3.770 8.510
152 HG22 THR 18 HG22 THR 18 -7.791 -2.580 9.789
153 HG23 THR 18 HG23 THR 18 -6.388 -3.648 9.832
154 H ALA 19 HN ALA 19 -9.639 -1.035 6.950
155 HA ALA 19 HA ALA 19 -10.300 0.176 9.531
156 HB1 ALA 19 HB1 ALA 19 -9.900 2.043 7.996
157 HB2 ALA 19 HB2 ALA 19 -11.592 1.955 8.487
158 HB3 ALA 19 HB3 ALA 19 -11.107 1.388 6.889
159 H ILE 20 HN ILE 20 -11.950 -0.883 10.389
160 HA ILE 20 HA ILE 20 -13.636 -2.551 8.700
161 HB ILE 20 HB ILE 20 -13.595 -2.292 11.711
162 HG12 ILE 20 HG12 ILE 20 -12.392 -4.435 9.943
163 HG13 ILE 20 HG11 ILE 20 -11.475 -3.153 10.727
164 HG21 ILE 20 HG21 ILE 20 -14.851 -4.398 11.686
165 HG22 ILE 20 HG22 ILE 20 -14.901 -4.341 9.924
166 HG23 ILE 20 HG23 ILE 20 -15.729 -3.104 10.870
167 HD11 ILE 20 HD11 ILE 20 -11.296 -5.227 11.960
168 HD12 ILE 20 HD12 ILE 20 -13.051 -5.304 12.118
169 HD13 ILE 20 HD13 ILE 20 -12.149 -4.013 12.912
170 H GLY 21 HN GLY 21 -15.434 -1.731 7.861
171 HA2 GLY 21 HA1 GLY 21 -17.658 -0.863 9.052
172 HA3 GLY 21 HA2 GLY 21 -16.688 0.602 9.071
173 H ARG 22 HN ARG 22 -16.849 1.910 7.374
174 HA ARG 22 HA ARG 22 -17.433 0.827 4.735
175 HB2 ARG 22 HB2 ARG 22 -19.648 1.249 5.722
176 HB3 ARG 22 HB1 ARG 22 -19.188 2.916 6.040
177 HG2 ARG 22 HG1 ARG 22 -18.959 3.311 3.639
178 HG3 ARG 22 HG2 ARG 22 -19.429 1.639 3.323
179 HD2 ARG 22 HD2 ARG 22 -21.121 3.734 4.682
180 HD3 ARG 22 HD1 ARG 22 -21.316 3.158 3.028
181 HE ARG 22 HE ARG 22 -21.448 0.934 4.680
182 HH11 ARG 22 HH11 ARG 22 -23.241 3.875 4.154
183 HH12 ARG 22 HH12 ARG 22 -24.756 3.190 4.639
184 HH21 ARG 22 HH21 ARG 22 -24.868 1.001 5.302
185 HH22 ARG 22 HH22 ARG 22 -23.439 0.024 5.320
Start of MODEL 19
1 H1 ACE 0 HA1 ACE 0 4.213 0.670 13.077
2 H2 ACE 0 HA2 ACE 0 5.647 1.571 13.566
3 H3 ACE 0 HA3 ACE 0 5.850 0.034 12.728
4 H MET 1 HN MET 1 7.224 1.755 11.509
5 HA MET 1 HA MET 1 5.614 3.172 9.523
6 HB2 MET 1 HB2 MET 1 8.564 3.242 10.158
7 HB3 MET 1 HB1 MET 1 7.845 4.105 8.807
8 HG2 MET 1 HG2 MET 1 8.124 5.635 10.606
9 HG3 MET 1 HG1 MET 1 6.401 5.315 10.421
10 HE1 MET 1 HE1 MET 1 7.687 6.688 13.005
11 HE2 MET 1 HE2 MET 1 6.796 5.863 14.284
12 HE3 MET 1 HE3 MET 1 5.960 6.381 12.820
13 H ASN 2 HN ASN 2 5.075 2.111 7.746
14 HA ASN 2 HA ASN 2 7.062 0.325 6.511
15 HB2 ASN 2 HB2 ASN 2 5.377 -1.088 7.559
16 HB3 ASN 2 HB1 ASN 2 4.089 -0.183 6.767
17 HD21 ASN 2 HD21 ASN 2 4.562 -1.679 3.594
18 HD22 ASN 2 HD22 ASN 2 4.044 -0.240 4.397
19 H TRP 3 HN TRP 3 5.016 2.977 6.202
20 HA TRP 3 HA TRP 3 3.835 3.029 3.824
21 HB2 TRP 3 HB1 TRP 3 4.554 5.400 3.551
22 HB3 TRP 3 HB2 TRP 3 3.886 5.014 5.132
23 HD1 TRP 3 HD1 TRP 3 5.709 4.840 7.180
24 HE1 TRP 3 HE1 TRP 3 7.918 6.121 7.515
25 HE3 TRP 3 HE3 TRP 3 6.478 6.273 2.395
26 HZ2 TRP 3 HZ2 TRP 3 9.752 7.567 5.909
27 HZ3 TRP 3 HZ3 TRP 3 8.481 7.607 1.839
28 HH2 TRP 3 HH2 TRP 3 10.090 8.234 3.569
29 H THR 4 HN THR 4 7.242 4.011 4.004
30 HA THR 4 HA THR 4 8.610 4.350 2.131
31 HB THR 4 HB THR 4 8.553 1.340 2.302
32 HG1 THR 4 HG1 THR 4 9.346 3.263 4.198
33 HG21 THR 4 HG21 THR 4 10.788 3.331 1.883
34 HG22 THR 4 HG22 THR 4 10.071 2.301 0.644
35 HG23 THR 4 HG23 THR 4 10.977 1.580 1.974
36 H GLY 5 HN GLY 5 6.095 4.604 1.049
37 HA2 GLY 5 HA2 GLY 5 6.507 3.687 -1.627
38 HA3 GLY 5 HA1 GLY 5 5.224 2.792 -0.824
39 H LEU 6 HN LEU 6 5.628 6.060 0.150
40 HA LEU 6 HA LEU 6 3.197 6.782 -1.347
41 HB2 LEU 6 HB1 LEU 6 3.084 8.645 0.377
42 HB3 LEU 6 HB2 LEU 6 2.770 7.016 0.940
43 HG LEU 6 HG LEU 6 5.264 6.997 1.605
44 HD11 LEU 6 HD11 LEU 6 4.803 9.964 1.380
45 HD12 LEU 6 HD12 LEU 6 5.949 9.006 0.442
46 HD13 LEU 6 HD13 LEU 6 6.176 9.198 2.181
47 HD21 LEU 6 HD21 LEU 6 3.326 8.751 3.095
48 HD22 LEU 6 HD22 LEU 6 4.764 7.978 3.766
49 HD23 LEU 6 HD23 LEU 6 3.417 6.992 3.194
50 H TYR 7 HN TYR 7 6.140 6.950 -2.146
51 HA TYR 7 HA TYR 7 5.999 9.681 -3.129
52 HB2 TYR 7 HB2 TYR 7 8.446 9.962 -2.680
53 HB3 TYR 7 HB1 TYR 7 7.439 9.868 -1.239
54 HD1 TYR 7 HD1 TYR 7 7.021 7.195 -0.644
55 HD2 TYR 7 HD2 TYR 7 10.501 8.923 -2.361
56 HE1 TYR 7 HE1 TYR 7 8.325 5.334 0.171
57 HE2 TYR 7 HE2 TYR 7 11.849 7.042 -1.518
58 HH TYR 7 HH TYR 7 11.733 5.334 0.243
59 H THR 8 HN THR 8 7.912 6.677 -3.381
60 HA THR 8 HA THR 8 8.183 7.225 -6.269
61 HB THR 8 HB THR 8 10.172 5.751 -6.216
62 HG1 THR 8 HG1 THR 8 9.335 4.766 -4.124
63 HG21 THR 8 HG21 THR 8 11.649 7.316 -4.942
64 HG22 THR 8 HG22 THR 8 10.197 8.121 -4.346
65 HG23 THR 8 HG23 THR 8 10.558 8.118 -6.072
66 H LEU 9 HN LEU 9 6.074 5.690 -4.645
67 HA LEU 9 HA LEU 9 6.055 3.383 -6.418
68 HB2 LEU 9 HB2 LEU 9 5.764 3.215 -3.437
69 HB3 LEU 9 HB1 LEU 9 5.351 1.911 -4.534
70 HG LEU 9 HG LEU 9 8.112 3.116 -4.353
71 HD11 LEU 9 HD21 LEU 9 7.039 0.642 -3.016
72 HD12 LEU 9 HD22 LEU 9 7.514 2.138 -2.212
73 HD13 LEU 9 HD23 LEU 9 8.725 1.158 -3.039
74 HD21 LEU 9 HD11 LEU 9 7.630 1.992 -6.453
75 HD22 LEU 9 HD12 LEU 9 7.087 0.560 -5.579
76 HD23 LEU 9 HD13 LEU 9 8.777 1.055 -5.496
77 H LEU 10 HN LEU 10 4.275 4.876 -3.805
78 HA LEU 10 HA LEU 10 2.020 5.048 -3.408
79 HB2 LEU 10 HB1 LEU 10 2.310 6.165 -6.187
80 HB3 LEU 10 HB2 LEU 10 0.910 6.416 -5.161
81 HG LEU 10 HG LEU 10 2.458 7.470 -3.474
82 HD11 LEU 10 HD21 LEU 10 4.590 6.701 -4.009
83 HD12 LEU 10 HD22 LEU 10 4.594 8.381 -4.550
84 HD13 LEU 10 HD23 LEU 10 4.395 7.079 -5.722
85 HD21 LEU 10 HD11 LEU 10 2.599 9.603 -4.671
86 HD22 LEU 10 HD12 LEU 10 1.042 8.814 -4.926
87 HD23 LEU 10 HD13 LEU 10 2.272 8.767 -6.190
88 H SER 11 HN SER 11 1.589 4.546 -6.873
89 HA SER 11 HA SER 11 -0.501 2.646 -6.400
90 HB2 SER 11 HB1 SER 11 -0.641 2.528 -8.865
91 HB3 SER 11 HB2 SER 11 -0.630 4.195 -8.290
92 HG SER 11 HG SER 11 1.315 4.494 -9.126
93 H ARG 12 HN ARG 12 2.603 2.203 -5.943
94 HA ARG 12 HA ARG 12 2.690 -0.468 -7.177
95 HB2 ARG 12 HB1 ARG 12 5.026 1.196 -6.226
96 HB3 ARG 12 HB2 ARG 12 5.113 -0.339 -7.077
97 HG2 ARG 12 HG2 ARG 12 4.238 0.654 -9.076
98 HG3 ARG 12 HG1 ARG 12 3.941 2.179 -8.236
99 HD2 ARG 12 HD1 ARG 12 6.348 2.431 -7.851
100 HD3 ARG 12 HD2 ARG 12 6.641 0.910 -8.694
101 HE ARG 12 HE ARG 12 5.230 2.521 -10.445
102 HH11 ARG 12 HH11 ARG 12 9.083 3.523 -10.019
103 HH12 ARG 12 HH12 ARG 12 8.294 2.596 -8.788
104 HH21 ARG 12 HH21 ARG 12 7.928 4.176 -11.885
105 HH22 ARG 12 HH22 ARG 12 6.261 3.743 -12.071
106 H VAL 13 HN VAL 13 1.771 0.808 -4.455
107 HA VAL 13 HA VAL 13 3.216 -1.025 -2.680
108 HB VAL 13 HB VAL 13 1.345 1.090 -1.689
109 HG11 VAL 13 HG11 VAL 13 2.218 -0.398 -0.033
110 HG12 VAL 13 HG12 VAL 13 3.037 1.156 0.150
111 HG13 VAL 13 HG13 VAL 13 3.860 -0.189 -0.638
112 HG21 VAL 13 HG21 VAL 13 3.173 2.711 -1.668
113 HG22 VAL 13 HG22 VAL 13 2.748 2.237 -3.313
114 HG23 VAL 13 HG23 VAL 13 4.193 1.575 -2.550
115 H ASN 14 HN ASN 14 0.667 -0.324 -0.937
116 HA ASN 14 HA ASN 14 -0.625 -2.836 -1.461
117 HB2 ASN 14 HB2 ASN 14 -2.151 -2.028 0.445
118 HB3 ASN 14 HB1 ASN 14 -0.460 -2.333 0.825
119 HD21 ASN 14 HD21 ASN 14 -1.548 0.477 -0.945
120 HD22 ASN 14 HD22 ASN 14 -1.194 1.628 0.293
121 H ARG 15 HN ARG 15 -0.894 0.106 -2.883
122 HA ARG 15 HA ARG 15 -2.397 1.059 -4.293
123 HB2 ARG 15 HB2 ARG 15 -2.575 -1.213 -5.225
124 HB3 ARG 15 HB1 ARG 15 -3.836 -1.591 -4.060
125 HG2 ARG 15 HG2 ARG 15 -4.832 -1.114 -6.189
126 HG3 ARG 15 HG1 ARG 15 -5.243 0.173 -5.056
127 HD2 ARG 15 HD2 ARG 15 -3.464 1.567 -6.003
128 HD3 ARG 15 HD1 ARG 15 -3.071 0.283 -7.145
129 HE ARG 15 HE ARG 15 -5.784 0.913 -7.416
130 HH11 ARG 15 HH11 ARG 15 -2.655 2.338 -7.984
131 HH12 ARG 15 HH12 ARG 15 -3.202 3.328 -9.296
132 HH21 ARG 15 HH21 ARG 15 -6.513 2.214 -9.140
133 HH22 ARG 15 HH22 ARG 15 -5.395 3.257 -9.953
134 H HIS 16 HN HIS 16 -4.404 2.165 -4.318
135 HA HIS 16 HA HIS 16 -5.469 2.636 -1.692
136 HB2 HIS 16 HB2 HIS 16 -6.288 3.767 -4.377
137 HB3 HIS 16 HB1 HIS 16 -6.855 4.347 -2.814
138 HD1 HIS 16 HD1 HIS 16 -4.118 4.698 -5.226
139 HD2 HIS 16 HD2 HIS 16 -4.787 5.600 -1.225
140 HE1 HIS 16 HE1 HIS 16 -2.312 6.329 -4.594
141 HE2 HIS 16 HE2 HIS 16 -2.735 6.862 -2.168
142 H SER 17 HN SER 17 -6.903 1.295 -0.824
143 HA SER 17 HA SER 17 -8.781 -0.140 -2.540
144 HB2 SER 17 HB1 SER 17 -9.282 -1.466 -0.516
145 HB3 SER 17 HB2 SER 17 -7.556 -1.457 -0.880
146 HG SER 17 HG SER 17 -8.941 -0.290 1.234
147 H THR 18 HN THR 18 -8.659 2.430 -0.228
148 HA THR 18 HA THR 18 -10.207 3.905 0.541
149 HB THR 18 HB THR 18 -11.972 2.863 -1.683
150 HG1 THR 18 HG1 THR 18 -9.741 4.527 -1.665
151 HG21 THR 18 HG21 THR 18 -11.976 5.470 -0.156
152 HG22 THR 18 HG22 THR 18 -13.195 4.199 -0.064
153 HG23 THR 18 HG23 THR 18 -12.985 5.114 -1.557
154 H ALA 19 HN ALA 19 -12.675 1.674 -0.618
155 HA ALA 19 HA ALA 19 -14.334 0.547 0.460
156 HB1 ALA 19 HB1 ALA 19 -13.666 -0.839 2.349
157 HB2 ALA 19 HB2 ALA 19 -12.176 0.089 2.516
158 HB3 ALA 19 HB3 ALA 19 -12.450 -0.888 1.073
159 H ILE 20 HN ILE 20 -13.816 3.447 1.118
160 HA ILE 20 HA ILE 20 -15.513 3.530 3.513
161 HB ILE 20 HB ILE 20 -13.249 4.070 4.247
162 HG12 ILE 20 HG11 ILE 20 -13.698 6.337 5.188
163 HG13 ILE 20 HG12 ILE 20 -15.091 6.467 4.118
164 HG21 ILE 20 HG21 ILE 20 -13.356 6.273 2.194
165 HG22 ILE 20 HG22 ILE 20 -12.331 4.840 2.135
166 HG23 ILE 20 HG23 ILE 20 -12.084 6.050 3.393
167 HD11 ILE 20 HD11 ILE 20 -15.758 5.844 6.364
168 HD12 ILE 20 HD12 ILE 20 -14.722 4.419 6.291
169 HD13 ILE 20 HD13 ILE 20 -16.118 4.551 5.220
170 H GLY 21 HN GLY 21 -17.088 5.095 3.522
171 HA2 GLY 21 HA1 GLY 21 -17.297 6.703 1.051
172 HA3 GLY 21 HA2 GLY 21 -18.682 6.010 1.881
173 H ARG 22 HN ARG 22 -16.321 8.563 1.862
174 HA ARG 22 HA ARG 22 -17.541 9.810 4.212
175 HB2 ARG 22 HB1 ARG 22 -15.099 10.609 2.617
176 HB3 ARG 22 HB2 ARG 22 -15.667 11.410 4.075
177 HG2 ARG 22 HG1 ARG 22 -14.767 8.541 3.918
178 HG3 ARG 22 HG2 ARG 22 -13.784 9.889 4.492
179 HD2 ARG 22 HD2 ARG 22 -15.399 10.308 6.279
180 HD3 ARG 22 HD1 ARG 22 -16.385 8.964 5.705
181 HE ARG 22 HE ARG 22 -13.790 8.032 6.218
182 HH11 ARG 22 HH11 ARG 22 -16.589 9.225 7.916
183 HH12 ARG 22 HH12 ARG 22 -16.255 8.328 9.360
184 HH21 ARG 22 HH21 ARG 22 -14.410 6.979 9.474
185 HH22 ARG 22 HH22 ARG 22 -13.342 6.848 8.116
Start of MODEL 20
1 H1 ACE 0 HA1 ACE 0 5.206 -2.917 11.988
2 H2 ACE 0 HA2 ACE 0 5.670 -3.847 10.565
3 H3 ACE 0 HA3 ACE 0 4.105 -4.154 11.312
4 H MET 1 HN MET 1 6.003 -1.829 9.485
5 HA MET 1 HA MET 1 3.508 -0.791 8.363
6 HB2 MET 1 HB2 MET 1 4.554 1.537 8.439
7 HB3 MET 1 HB1 MET 1 3.942 0.890 9.954
8 HG2 MET 1 HG2 MET 1 6.830 0.694 9.161
9 HG3 MET 1 HG1 MET 1 6.170 2.076 10.031
10 HE1 MET 1 HE1 MET 1 7.950 1.706 11.972
11 HE2 MET 1 HE2 MET 1 8.610 0.323 11.100
12 HE3 MET 1 HE3 MET 1 8.181 0.167 12.803
13 H ASN 2 HN ASN 2 3.947 -1.897 6.448
14 HA ASN 2 HA ASN 2 6.407 -1.158 5.037
15 HB2 ASN 2 HB1 ASN 2 6.172 -3.490 4.958
16 HB3 ASN 2 HB2 ASN 2 4.439 -3.399 4.665
17 HD21 ASN 2 HD21 ASN 2 6.700 -1.357 2.954
18 HD22 ASN 2 HD22 ASN 2 6.530 -2.123 1.415
19 H TRP 3 HN TRP 3 6.397 0.288 3.524
20 HA TRP 3 HA TRP 3 4.305 0.586 1.626
21 HB2 TRP 3 HB2 TRP 3 3.845 2.996 2.168
22 HB3 TRP 3 HB1 TRP 3 3.154 1.828 3.285
23 HD1 TRP 3 HD1 TRP 3 4.439 1.604 5.707
24 HE1 TRP 3 HE1 TRP 3 5.647 3.411 7.083
25 HE3 TRP 3 HE3 TRP 3 5.269 4.958 1.997
26 HZ2 TRP 3 HZ2 TRP 3 6.804 5.945 6.629
27 HZ3 TRP 3 HZ3 TRP 3 6.440 7.066 2.528
28 HH2 TRP 3 HH2 TRP 3 7.197 7.544 4.803
29 H THR 4 HN THR 4 6.705 2.739 3.093
30 HA THR 4 HA THR 4 8.049 4.241 1.916
31 HB THR 4 HB THR 4 9.397 1.621 1.270
32 HG1 THR 4 HG1 THR 4 8.907 2.869 3.754
33 HG21 THR 4 HG21 THR 4 10.529 3.639 0.478
34 HG22 THR 4 HG22 THR 4 11.438 2.891 1.790
35 HG23 THR 4 HG23 THR 4 10.461 4.327 2.100
36 H GLY 5 HN GLY 5 5.916 3.840 0.208
37 HA2 GLY 5 HA2 GLY 5 7.122 4.283 -2.335
38 HA3 GLY 5 HA1 GLY 5 6.378 2.693 -2.250
39 H LEU 6 HN LEU 6 4.935 5.218 -0.395
40 HA LEU 6 HA LEU 6 2.702 5.328 -2.312
41 HB2 LEU 6 HB1 LEU 6 1.466 6.246 -0.277
42 HB3 LEU 6 HB2 LEU 6 1.877 4.542 -0.277
43 HG LEU 6 HG LEU 6 3.948 5.238 1.074
44 HD11 LEU 6 HD11 LEU 6 2.250 7.696 1.454
45 HD12 LEU 6 HD12 LEU 6 3.844 7.624 0.705
46 HD13 LEU 6 HD13 LEU 6 3.661 7.270 2.424
47 HD21 LEU 6 HD21 LEU 6 1.212 5.485 2.299
48 HD22 LEU 6 HD22 LEU 6 2.713 5.159 3.168
49 HD23 LEU 6 HD23 LEU 6 2.092 3.984 2.008
50 H TYR 7 HN TYR 7 5.236 6.929 -2.247
51 HA TYR 7 HA TYR 7 4.005 9.532 -2.572
52 HB2 TYR 7 HB2 TYR 7 5.819 10.619 -1.258
53 HB3 TYR 7 HB1 TYR 7 4.763 9.592 -0.291
54 HD1 TYR 7 HD1 TYR 7 5.673 6.974 -0.564
55 HD2 TYR 7 HD2 TYR 7 8.013 10.516 -0.463
56 HE1 TYR 7 HE1 TYR 7 7.563 5.674 0.166
57 HE2 TYR 7 HE2 TYR 7 9.955 9.208 0.308
58 HH TYR 7 HH TYR 7 10.398 7.066 1.445
59 H THR 8 HN THR 8 6.858 7.485 -3.000
60 HA THR 8 HA THR 8 7.642 9.199 -5.270
61 HB THR 8 HB THR 8 9.981 8.363 -4.897
62 HG1 THR 8 HG1 THR 8 9.125 6.591 -3.456
63 HG21 THR 8 HG21 THR 8 8.658 9.974 -2.714
64 HG22 THR 8 HG22 THR 8 9.399 10.589 -4.191
65 HG23 THR 8 HG23 THR 8 10.402 9.851 -2.941
66 H LEU 9 HN LEU 9 6.038 6.554 -4.928
67 HA LEU 9 HA LEU 9 7.129 5.343 -7.316
68 HB2 LEU 9 HB1 LEU 9 6.986 3.911 -4.687
69 HB3 LEU 9 HB2 LEU 9 6.942 3.040 -6.209
70 HG LEU 9 HG LEU 9 9.191 4.850 -5.315
71 HD11 LEU 9 HD21 LEU 9 9.013 1.846 -5.399
72 HD12 LEU 9 HD22 LEU 9 9.065 2.847 -3.949
73 HD13 LEU 9 HD23 LEU 9 10.459 2.782 -5.025
74 HD21 LEU 9 HD11 LEU 9 8.961 4.765 -7.737
75 HD22 LEU 9 HD12 LEU 9 8.955 3.002 -7.686
76 HD23 LEU 9 HD13 LEU 9 10.401 3.892 -7.213
77 H LEU 10 HN LEU 10 4.772 5.179 -4.787
78 HA LEU 10 HA LEU 10 2.555 4.703 -4.718
79 HB2 LEU 10 HB2 LEU 10 2.415 5.621 -7.567
80 HB3 LEU 10 HB1 LEU 10 1.226 5.817 -6.292
81 HG LEU 10 HG LEU 10 3.788 7.330 -6.715
82 HD11 LEU 10 HD11 LEU 10 0.947 8.205 -6.219
83 HD12 LEU 10 HD12 LEU 10 1.757 8.168 -7.785
84 HD13 LEU 10 HD13 LEU 10 2.324 9.264 -6.526
85 HD21 LEU 10 HD21 LEU 10 2.180 7.186 -4.167
86 HD22 LEU 10 HD22 LEU 10 3.422 8.389 -4.511
87 HD23 LEU 10 HD23 LEU 10 3.860 6.683 -4.387
88 H SER 11 HN SER 11 4.543 2.787 -6.129
89 HA SER 11 HA SER 11 2.506 1.046 -7.354
90 HB2 SER 11 HB2 SER 11 4.335 1.637 -8.898
91 HB3 SER 11 HB1 SER 11 5.515 1.029 -7.737
92 HG SER 11 HG SER 11 3.571 -0.794 -8.310
93 H ARG 12 HN ARG 12 4.014 1.642 -4.579
94 HA ARG 12 HA ARG 12 4.279 -1.179 -3.796
95 HB2 ARG 12 HB1 ARG 12 5.556 1.327 -2.709
96 HB3 ARG 12 HB2 ARG 12 5.629 -0.221 -1.874
97 HG2 ARG 12 HG1 ARG 12 6.822 -1.203 -3.740
98 HG3 ARG 12 HG2 ARG 12 6.690 0.308 -4.643
99 HD2 ARG 12 HD2 ARG 12 8.054 1.455 -3.022
100 HD3 ARG 12 HD1 ARG 12 8.087 0.027 -1.987
101 HE ARG 12 HE ARG 12 9.128 -0.471 -4.608
102 HH11 ARG 12 HH11 ARG 12 11.587 0.443 -1.584
103 HH12 ARG 12 HH12 ARG 12 9.891 0.762 -1.440
104 HH21 ARG 12 HH21 ARG 12 11.359 -0.896 -4.806
105 HH22 ARG 12 HH22 ARG 12 12.421 -0.500 -3.497
106 H VAL 13 HN VAL 13 2.142 1.215 -3.744
107 HA VAL 13 HA VAL 13 1.128 0.559 -1.076
108 HB VAL 13 HB VAL 13 1.648 2.863 -1.094
109 HG11 VAL 13 HG21 VAL 13 1.840 3.143 -3.512
110 HG12 VAL 13 HG22 VAL 13 0.881 4.427 -2.779
111 HG13 VAL 13 HG23 VAL 13 0.084 3.117 -3.649
112 HG21 VAL 13 HG11 VAL 13 -0.493 2.293 -0.065
113 HG22 VAL 13 HG12 VAL 13 -1.306 2.606 -1.599
114 HG23 VAL 13 HG13 VAL 13 -0.505 3.922 -0.741
115 H ASN 14 HN ASN 14 -0.106 -1.187 -1.671
116 HA ASN 14 HA ASN 14 -1.879 -1.273 -3.852
117 HB2 ASN 14 HB1 ASN 14 -2.838 -3.222 -2.814
118 HB3 ASN 14 HB2 ASN 14 -1.102 -3.260 -2.527
119 HD21 ASN 14 HD21 ASN 14 -1.222 -1.201 -0.462
120 HD22 ASN 14 HD22 ASN 14 -1.890 -1.966 0.935
121 H ARG 15 HN ARG 15 -1.930 0.707 -1.240
122 HA ARG 15 HA ARG 15 -3.414 2.192 -0.405
123 HB2 ARG 15 HB2 ARG 15 -5.203 1.234 -2.649
124 HB3 ARG 15 HB1 ARG 15 -5.474 2.667 -1.668
125 HG2 ARG 15 HG2 ARG 15 -3.419 3.657 -2.523
126 HG3 ARG 15 HG1 ARG 15 -3.122 2.212 -3.492
127 HD2 ARG 15 HD2 ARG 15 -5.208 2.607 -4.713
128 HD3 ARG 15 HD1 ARG 15 -5.495 4.056 -3.749
129 HE ARG 15 HE ARG 15 -2.994 4.338 -4.918
130 HH11 ARG 15 HH11 ARG 15 -6.313 4.050 -5.940
131 HH12 ARG 15 HH12 ARG 15 -6.084 4.981 -7.382
132 HH21 ARG 15 HH21 ARG 15 -2.684 5.567 -6.814
133 HH22 ARG 15 HH22 ARG 15 -4.022 5.843 -7.879
134 H HIS 16 HN HIS 16 -5.526 2.356 0.732
135 HA HIS 16 HA HIS 16 -6.974 1.582 2.301
136 HB2 HIS 16 HB2 HIS 16 -7.144 -0.795 0.436
137 HB3 HIS 16 HB1 HIS 16 -8.272 -0.443 1.740
138 HD1 HIS 16 HD1 HIS 16 -7.560 0.319 -1.774
139 HD2 HIS 16 HD2 HIS 16 -9.862 1.930 1.287
140 HE1 HIS 16 HE1 HIS 16 -9.180 1.878 -2.900
141 HE2 HIS 16 HE2 HIS 16 -10.565 2.842 -1.029
142 H SER 17 HN SER 17 -5.675 1.344 4.068
143 HA SER 17 HA SER 17 -4.399 -1.278 4.462
144 HB2 SER 17 HB2 SER 17 -3.009 -0.156 6.167
145 HB3 SER 17 HB1 SER 17 -2.850 0.614 4.588
146 HG SER 17 HG SER 17 -3.125 2.181 6.187
147 H THR 18 HN THR 18 -5.076 -2.599 6.039
148 HA THR 18 HA THR 18 -6.430 -1.657 8.382
149 HB THR 18 HB THR 18 -8.326 -1.548 6.873
150 HG1 THR 18 HG1 THR 18 -8.231 -2.979 9.072
151 HG21 THR 18 HG21 THR 18 -7.761 -4.455 6.276
152 HG22 THR 18 HG22 THR 18 -7.527 -3.109 5.161
153 HG23 THR 18 HG23 THR 18 -9.151 -3.534 5.702
154 H ALA 19 HN ALA 19 -6.659 -3.248 9.973
155 HA ALA 19 HA ALA 19 -6.083 -5.108 11.145
156 HB1 ALA 19 HB1 ALA 19 -6.305 -6.485 8.471
157 HB2 ALA 19 HB2 ALA 19 -7.634 -6.199 9.594
158 HB3 ALA 19 HB3 ALA 19 -6.309 -7.268 10.051
159 H ILE 20 HN ILE 20 -4.054 -4.747 11.862
160 HA ILE 20 HA ILE 20 -1.789 -5.242 10.079
161 HB ILE 20 HB ILE 20 -1.794 -4.152 12.897
162 HG12 ILE 20 HG12 ILE 20 -1.484 -2.684 10.267
163 HG13 ILE 20 HG11 ILE 20 -2.951 -2.694 11.240
164 HG21 ILE 20 HG21 ILE 20 0.312 -5.208 12.317
165 HG22 ILE 20 HG22 ILE 20 0.506 -3.457 12.375
166 HG23 ILE 20 HG23 ILE 20 0.390 -4.280 10.821
167 HD11 ILE 20 HD11 ILE 20 -0.281 -1.586 12.072
168 HD12 ILE 20 HD12 ILE 20 -1.737 -1.613 13.066
169 HD13 ILE 20 HD13 ILE 20 -1.699 -0.655 11.585
170 H GLY 21 HN GLY 21 -0.528 -7.000 10.218
171 HA2 GLY 21 HA2 GLY 21 -0.635 -8.637 12.654
172 HA3 GLY 21 HA1 GLY 21 -1.015 -9.392 11.114
173 H ARG 22 HN ARG 22 0.689 -10.815 11.098
174 HA ARG 22 HA ARG 22 3.396 -9.791 11.388
175 HB2 ARG 22 HB1 ARG 22 3.996 -12.241 11.028
176 HB3 ARG 22 HB2 ARG 22 3.093 -11.853 12.485
177 HG2 ARG 22 HG1 ARG 22 1.026 -12.590 11.386
178 HG3 ARG 22 HG2 ARG 22 1.959 -13.016 9.949
179 HD2 ARG 22 HD1 ARG 22 1.528 -14.986 11.305
180 HD3 ARG 22 HD2 ARG 22 3.253 -14.620 11.269
181 HE ARG 22 HE ARG 22 2.253 -13.375 13.518
182 HH11 ARG 22 HH11 ARG 22 2.554 -17.352 13.872
183 HH12 ARG 22 HH12 ARG 22 2.474 -16.633 12.300
184 HH21 ARG 22 HH21 ARG 22 2.357 -14.315 15.592
185 HH22 ARG 22 HH22 ARG 22 2.487 -16.035 15.744