Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
643150 | 6pf0 RC | 30616 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HT1 PHE 1 -15.218 3.414 15.697
2 H2 PHE 1 HT2 PHE 1 -16.737 3.302 14.934
3 H3 PHE 1 HT3 PHE 1 -15.651 4.532 14.492
4 HA PHE 1 HA PHE 1 -14.868 1.703 14.213
5 HB2 PHE 1 HB2 PHE 1 -16.576 3.312 12.289
6 HB3 PHE 1 HB1 PHE 1 -15.710 1.843 11.838
7 HD1 PHE 1 HD1 PHE 1 -16.164 -0.264 13.202
8 HD2 PHE 1 HD2 PHE 1 -18.674 3.166 13.328
9 HE1 PHE 1 HE1 PHE 1 -17.989 -1.633 14.110
10 HE2 PHE 1 HE2 PHE 1 -20.499 1.798 14.237
11 HZ PHE 1 HZ PHE 1 -20.156 -0.602 14.627
12 H PHE 2 HN PHE 2 -14.923 4.937 12.601
13 HA PHE 2 HA PHE 2 -12.469 4.589 11.234
14 HB2 PHE 2 HB2 PHE 2 -14.129 6.334 10.679
15 HB3 PHE 2 HB1 PHE 2 -13.748 7.170 12.183
16 HD1 PHE 2 HD1 PHE 2 -12.118 5.834 9.110
17 HD2 PHE 2 HD2 PHE 2 -12.039 8.751 12.203
18 HE1 PHE 2 HE1 PHE 2 -10.228 6.949 8.009
19 HE2 PHE 2 HE2 PHE 2 -10.150 9.867 11.102
20 HZ PHE 2 HZ PHE 2 -9.245 8.966 9.005
21 H HIS 3 HN HIS 3 -13.173 6.114 14.373
22 HA HIS 3 HA HIS 3 -10.545 6.970 14.979
23 HB2 HIS 3 HB2 HIS 3 -12.857 6.181 16.765
24 HB3 HIS 3 HB1 HIS 3 -11.362 6.893 17.368
25 HD2 HIS 3 HD2 HIS 3 -11.241 9.655 17.148
26 HE1 HIS 3 HE1 HIS 3 -14.650 10.172 14.709
27 HE2 HIS 3 HE2 HIS 3 -12.854 11.383 16.036
28 H HIS 4 HN HIS 4 -12.186 3.880 15.555
29 HA HIS 4 HA HIS 4 -10.122 2.701 17.158
30 HB2 HIS 4 HB2 HIS 4 -12.172 1.305 15.410
31 HB3 HIS 4 HB1 HIS 4 -11.318 0.624 16.795
32 HD2 HIS 4 HD2 HIS 4 -12.320 1.406 19.322
33 HE1 HIS 4 HE1 HIS 4 -15.530 3.722 17.853
34 HE2 HIS 4 HE2 HIS 4 -14.500 2.705 19.940
35 H ILE 5 HN ILE 5 -10.895 2.629 13.719
36 HA ILE 5 HA ILE 5 -8.857 0.792 12.901
37 HB ILE 5 HB ILE 5 -10.329 2.958 11.379
38 HG12 ILE 5 HG12 ILE 5 -10.602 -0.054 11.196
39 HG13 ILE 5 HG11 ILE 5 -11.557 0.899 12.330
40 HG21 ILE 5 HG21 ILE 5 -9.511 1.467 9.392
41 HG22 ILE 5 HG22 ILE 5 -8.267 0.932 10.519
42 HG23 ILE 5 HG23 ILE 5 -8.386 2.636 10.082
43 HD11 ILE 5 HD11 ILE 5 -12.928 0.740 10.401
44 HD12 ILE 5 HD12 ILE 5 -11.570 1.019 9.312
45 HD13 ILE 5 HD13 ILE 5 -12.203 2.344 10.289
46 H PHE 6 HN PHE 6 -8.919 4.351 13.110
47 HA PHE 6 HA PHE 6 -6.290 4.736 12.010
48 HB2 PHE 6 HB2 PHE 6 -8.139 6.471 12.183
49 HB3 PHE 6 HB1 PHE 6 -7.741 6.606 13.895
50 HD1 PHE 6 HD1 PHE 6 -6.015 8.040 14.558
51 HD2 PHE 6 HD2 PHE 6 -6.171 6.702 10.525
52 HE1 PHE 6 HE1 PHE 6 -4.143 9.525 13.994
53 HE2 PHE 6 HE2 PHE 6 -4.298 8.186 9.961
54 HZ PHE 6 HZ PHE 6 -3.284 9.597 11.695
55 H ARG 7 HN ARG 7 -7.568 4.353 15.280
56 HA ARG 7 HA ARG 7 -5.207 4.979 16.731
57 HB2 ARG 7 HB2 ARG 7 -7.462 4.761 17.744
58 HB3 ARG 7 HB1 ARG 7 -7.385 3.015 17.497
59 HG2 ARG 7 HG2 ARG 7 -5.358 2.909 18.916
60 HG3 ARG 7 HG1 ARG 7 -5.441 4.653 19.159
61 HD2 ARG 7 HD2 ARG 7 -6.451 3.615 21.080
62 HD3 ARG 7 HD1 ARG 7 -7.748 4.328 20.122
63 HE ARG 7 HE ARG 7 -7.348 1.614 19.327
64 HH11 ARG 7 HH11 ARG 7 -8.567 3.574 21.921
65 HH12 ARG 7 HH12 ARG 7 -9.695 2.386 22.473
66 HH21 ARG 7 HH21 ARG 7 -8.824 0.059 20.057
67 HH22 ARG 7 HH22 ARG 7 -9.839 0.392 21.416
68 H GLY 8 HN GLY 8 -6.373 1.893 15.388
69 HA2 GLY 8 HA2 GLY 8 -4.323 0.228 16.467
70 HA3 GLY 8 HA1 GLY 8 -5.314 -0.136 15.060
71 H ILE 9 HN ILE 9 -4.497 2.228 13.581
72 HA ILE 9 HA ILE 9 -2.165 1.186 12.255
73 HB ILE 9 HB ILE 9 -3.555 3.870 12.058
74 HG12 ILE 9 HG12 ILE 9 -3.451 1.562 10.096
75 HG13 ILE 9 HG11 ILE 9 -4.720 1.721 11.309
76 HG21 ILE 9 HG21 ILE 9 -1.070 2.803 10.777
77 HG22 ILE 9 HG22 ILE 9 -1.491 4.464 11.195
78 HG23 ILE 9 HG23 ILE 9 -2.183 3.714 9.759
79 HD11 ILE 9 HD11 ILE 9 -4.356 4.234 9.916
80 HD12 ILE 9 HD12 ILE 9 -5.808 3.243 10.055
81 HD13 ILE 9 HD13 ILE 9 -4.649 2.932 8.764
82 H VAL 10 HN VAL 10 -2.689 3.870 14.509
83 HA VAL 10 HA VAL 10 -0.029 4.874 14.543
84 HB VAL 10 HB VAL 10 -2.195 4.963 16.662
85 HG11 VAL 10 HG11 VAL 10 -0.829 6.923 17.511
86 HG12 VAL 10 HG12 VAL 10 0.474 6.387 16.452
87 HG13 VAL 10 HG13 VAL 10 -0.078 5.348 17.766
88 HG21 VAL 10 HG21 VAL 10 -1.242 6.947 14.569
89 HG22 VAL 10 HG22 VAL 10 -2.438 7.296 15.817
90 HG23 VAL 10 HG23 VAL 10 -2.790 6.100 14.570
91 H HIS 11 HN HIS 11 -1.616 2.371 16.504
92 HA HIS 11 HA HIS 11 0.644 1.931 18.247
93 HB2 HIS 11 HB2 HIS 11 -1.818 0.310 17.612
94 HB3 HIS 11 HB1 HIS 11 -0.571 -0.274 18.714
95 HD2 HIS 11 HD2 HIS 11 -3.777 1.503 19.114
96 HE1 HIS 11 HE1 HIS 11 -1.326 3.248 22.076
97 HE2 HIS 11 HE2 HIS 11 -3.719 2.971 21.274
98 H VAL 12 HN VAL 12 -0.450 0.483 15.199
99 HA VAL 12 HA VAL 12 1.433 -1.663 15.113
100 HB VAL 12 HB VAL 12 -0.015 -0.135 12.939
101 HG11 VAL 12 HG11 VAL 12 1.826 -0.932 11.729
102 HG12 VAL 12 HG12 VAL 12 0.700 -2.282 11.600
103 HG13 VAL 12 HG13 VAL 12 2.021 -2.346 12.765
104 HG21 VAL 12 HG21 VAL 12 -1.602 -1.781 13.081
105 HG22 VAL 12 HG22 VAL 12 -0.981 -1.943 14.723
106 HG23 VAL 12 HG23 VAL 12 -0.419 -3.033 13.456
107 H GLY 13 HN GLY 13 1.558 1.657 13.770
108 HA2 GLY 13 HA2 GLY 13 4.207 1.431 12.693
109 HA3 GLY 13 HA1 GLY 13 3.350 2.931 13.026
110 H LYS 14 HN LYS 14 2.920 2.563 15.800
111 HA LYS 14 HA LYS 14 5.330 3.574 16.911
112 HB2 LYS 14 HB2 LYS 14 3.112 4.010 17.863
113 HB3 LYS 14 HB1 LYS 14 2.936 2.306 18.274
114 HG2 LYS 14 HG2 LYS 14 4.917 2.470 19.759
115 HG3 LYS 14 HG1 LYS 14 5.074 4.178 19.348
116 HD2 LYS 14 HD2 LYS 14 3.894 4.152 21.408
117 HD3 LYS 14 HD1 LYS 14 2.654 4.438 20.186
118 HE2 LYS 14 HE2 LYS 14 2.470 1.798 20.189
119 HE3 LYS 14 HE1 LYS 14 3.221 1.949 21.776
120 HZ1 LYS 14 HZ1 LYS 14 0.530 2.522 20.986
121 HZ2 LYS 14 HZ2 LYS 14 1.263 3.868 21.739
122 HZ3 LYS 14 HZ3 LYS 14 1.197 2.376 22.547
123 H THR 15 HN THR 15 3.894 0.333 16.905
124 HA THR 15 HA THR 15 5.779 -0.906 18.652
125 HB THR 15 HB THR 15 4.264 -2.244 16.395
126 HG1 THR 15 HG1 THR 15 2.808 -1.044 17.629
127 HG21 THR 15 HG21 THR 15 5.663 -3.859 17.324
128 HG22 THR 15 HG22 THR 15 4.238 -4.017 18.349
129 HG23 THR 15 HG23 THR 15 5.635 -3.107 18.919
130 H ILE 16 HN ILE 16 5.644 -0.585 15.121
131 HA ILE 16 HA ILE 16 8.026 -2.090 14.573
132 HB ILE 16 HB ILE 16 6.617 0.071 12.987
133 HG12 ILE 16 HG12 ILE 16 5.338 -2.014 13.345
134 HG13 ILE 16 HG11 ILE 16 5.811 -1.846 11.658
135 HG21 ILE 16 HG21 ILE 16 8.688 0.156 11.964
136 HG22 ILE 16 HG22 ILE 16 7.997 -1.219 11.103
137 HG23 ILE 16 HG23 ILE 16 9.112 -1.487 12.443
138 HD11 ILE 16 HD11 ILE 16 6.405 -4.054 12.036
139 HD12 ILE 16 HD12 ILE 16 6.809 -3.770 13.728
140 HD13 ILE 16 HD13 ILE 16 7.922 -3.262 12.459
141 H HIS 17 HN HIS 17 7.451 1.405 15.009
142 HA HIS 17 HA HIS 17 10.109 2.271 14.560
143 HB2 HIS 17 HB2 HIS 17 7.876 3.436 16.238
144 HB3 HIS 17 HB1 HIS 17 9.410 4.265 15.969
145 HD2 HIS 17 HD2 HIS 17 9.335 3.016 12.665
146 HE1 HIS 17 HE1 HIS 17 6.256 5.895 12.427
147 HE2 HIS 17 HE2 HIS 17 7.836 4.441 11.071
148 H ARG 18 HN ARG 18 8.515 1.133 17.520
149 HA ARG 18 HA ARG 18 10.684 1.739 19.290
150 HB2 ARG 18 HB2 ARG 18 8.421 1.350 20.128
151 HB3 ARG 18 HB1 ARG 18 8.470 -0.313 19.546
152 HG2 ARG 18 HG2 ARG 18 8.962 -0.309 21.927
153 HG3 ARG 18 HG1 ARG 18 10.432 -0.732 21.057
154 HD2 ARG 18 HD2 ARG 18 10.017 2.164 21.556
155 HD3 ARG 18 HD1 ARG 18 10.326 1.174 22.982
156 HE ARG 18 HE ARG 18 12.189 0.611 20.829
157 HH11 ARG 18 HH11 ARG 18 11.415 2.770 23.445
158 HH12 ARG 18 HH12 ARG 18 13.046 3.289 23.681
159 HH21 ARG 18 HH21 ARG 18 14.322 1.298 21.138
160 HH22 ARG 18 HH22 ARG 18 14.699 2.450 22.379
161 H LEU 19 HN LEU 19 9.777 -1.211 17.506
162 HA LEU 19 HA LEU 19 11.843 -2.865 18.570
163 HB2 LEU 19 HB2 LEU 19 10.129 -2.977 16.103
164 HB3 LEU 19 HB1 LEU 19 11.418 -4.155 16.350
165 HG LEU 19 HG LEU 19 9.329 -3.578 18.464
166 HD11 LEU 19 HD11 LEU 19 9.295 -5.568 16.181
167 HD12 LEU 19 HD12 LEU 19 8.071 -4.362 16.579
168 HD13 LEU 19 HD13 LEU 19 8.307 -5.760 17.629
169 HD21 LEU 19 HD21 LEU 19 11.578 -5.493 18.058
170 HD22 LEU 19 HD22 LEU 19 10.116 -6.143 18.798
171 HD23 LEU 19 HD23 LEU 19 10.959 -4.790 19.552
172 H VAL 20 HN VAL 20 11.705 -0.831 15.656
173 HA VAL 20 HA VAL 20 14.290 -1.580 14.664
174 HB VAL 20 HB VAL 20 12.538 0.832 14.152
175 HG11 VAL 20 HG11 VAL 20 15.190 0.006 12.954
176 HG12 VAL 20 HG12 VAL 20 14.731 1.582 13.601
177 HG13 VAL 20 HG13 VAL 20 14.047 1.021 12.077
178 HG21 VAL 20 HG21 VAL 20 12.034 -1.688 13.433
179 HG22 VAL 20 HG22 VAL 20 13.188 -1.303 12.157
180 HG23 VAL 20 HG23 VAL 20 11.716 -0.346 12.335
181 H THR 21 HN THR 21 13.152 1.176 16.623
182 HA THR 21 HA THR 21 15.752 2.405 16.829
183 HB THR 21 HB THR 21 13.439 2.859 18.714
184 HG1 THR 21 HG1 THR 21 12.492 3.026 16.748
185 HG21 THR 21 HG21 THR 21 15.590 3.995 19.170
186 HG22 THR 21 HG22 THR 21 14.342 5.149 18.701
187 HG23 THR 21 HG23 THR 21 15.574 4.662 17.538
188 H GLY 22 HN GLY 22 17.422 1.781 18.099
189 HA2 GLY 22 HA2 GLY 22 16.862 -0.058 20.348
190 HA3 GLY 22 HA1 GLY 22 18.433 0.232 19.609
191 HN1 NH2 23 H1 GLY 22 19.774 1.835 20.533
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 -15.145 2.991 15.757
2 H2 PHE 1 HT2 PHE 1 -16.703 2.615 15.183
3 H3 PHE 1 HT3 PHE 1 -15.850 3.931 14.529
4 HA PHE 1 HA PHE 1 -14.818 1.161 14.361
5 HB2 PHE 1 HB2 PHE 1 -16.614 2.612 12.382
6 HB3 PHE 1 HB1 PHE 1 -15.759 1.105 12.052
7 HD1 PHE 1 HD1 PHE 1 -16.190 -0.864 13.633
8 HD2 PHE 1 HD2 PHE 1 -18.702 2.562 13.437
9 HE1 PHE 1 HE1 PHE 1 -18.002 -2.132 14.701
10 HE2 PHE 1 HE2 PHE 1 -20.514 1.295 14.506
11 HZ PHE 1 HZ PHE 1 -20.164 -1.052 15.137
12 H PHE 2 HN PHE 2 -15.100 4.337 12.670
13 HA PHE 2 HA PHE 2 -12.656 4.082 11.250
14 HB2 PHE 2 HB2 PHE 2 -14.209 6.548 12.082
15 HB3 PHE 2 HB1 PHE 2 -12.867 6.551 10.938
16 HD1 PHE 2 HD1 PHE 2 -13.046 5.085 8.876
17 HD2 PHE 2 HD2 PHE 2 -16.372 5.962 11.375
18 HE1 PHE 2 HE1 PHE 2 -14.575 4.433 7.069
19 HE2 PHE 2 HE2 PHE 2 -17.902 5.309 9.570
20 HZ PHE 2 HZ PHE 2 -17.003 4.545 7.416
21 H HIS 3 HN HIS 3 -13.420 5.615 14.358
22 HA HIS 3 HA HIS 3 -10.882 6.765 14.869
23 HB2 HIS 3 HB2 HIS 3 -12.981 5.722 16.794
24 HB3 HIS 3 HB1 HIS 3 -11.606 6.727 17.253
25 HD2 HIS 3 HD2 HIS 3 -11.965 9.455 16.799
26 HE1 HIS 3 HE1 HIS 3 -15.615 9.172 14.695
27 HE2 HIS 3 HE2 HIS 3 -13.949 10.781 15.739
28 H HIS 4 HN HIS 4 -12.166 3.534 15.471
29 HA HIS 4 HA HIS 4 -9.989 2.550 17.049
30 HB2 HIS 4 HB2 HIS 4 -11.935 1.024 15.287
31 HB3 HIS 4 HB1 HIS 4 -10.960 0.352 16.593
32 HD2 HIS 4 HD2 HIS 4 -11.905 0.899 19.199
33 HE1 HIS 4 HE1 HIS 4 -15.399 2.947 18.005
34 HE2 HIS 4 HE2 HIS 4 -14.173 1.931 19.983
35 H ILE 5 HN ILE 5 -10.742 2.539 13.612
36 HA ILE 5 HA ILE 5 -8.565 0.909 12.723
37 HB ILE 5 HB ILE 5 -10.209 3.008 11.291
38 HG12 ILE 5 HG12 ILE 5 -10.217 -0.008 10.989
39 HG13 ILE 5 HG11 ILE 5 -11.275 0.827 12.126
40 HG21 ILE 5 HG21 ILE 5 -9.236 1.618 9.259
41 HG22 ILE 5 HG22 ILE 5 -7.923 1.282 10.385
42 HG23 ILE 5 HG23 ILE 5 -8.304 2.947 9.948
43 HD11 ILE 5 HD11 ILE 5 -12.538 0.543 10.101
44 HD12 ILE 5 HD12 ILE 5 -11.202 1.132 9.114
45 HD13 ILE 5 HD13 ILE 5 -12.074 2.242 10.169
46 H PHE 6 HN PHE 6 -8.888 4.452 13.087
47 HA PHE 6 HA PHE 6 -6.270 5.035 12.026
48 HB2 PHE 6 HB2 PHE 6 -8.273 6.596 13.648
49 HB3 PHE 6 HB1 PHE 6 -6.679 7.255 13.280
50 HD1 PHE 6 HD1 PHE 6 -5.946 7.111 10.789
51 HD2 PHE 6 HD2 PHE 6 -9.986 6.868 12.090
52 HE1 PHE 6 HE1 PHE 6 -6.706 7.751 8.544
53 HE2 PHE 6 HE2 PHE 6 -10.748 7.510 9.845
54 HZ PHE 6 HZ PHE 6 -9.108 7.951 8.072
55 H ARG 7 HN ARG 7 -7.550 4.450 15.276
56 HA ARG 7 HA ARG 7 -5.193 5.171 16.715
57 HB2 ARG 7 HB2 ARG 7 -7.428 4.918 17.745
58 HB3 ARG 7 HB1 ARG 7 -7.348 3.178 17.474
59 HG2 ARG 7 HG2 ARG 7 -5.319 3.054 18.892
60 HG3 ARG 7 HG1 ARG 7 -5.413 4.796 19.165
61 HD2 ARG 7 HD2 ARG 7 -7.710 4.458 20.117
62 HD3 ARG 7 HD1 ARG 7 -7.461 2.717 19.980
63 HE ARG 7 HE ARG 7 -5.266 3.791 21.396
64 HH11 ARG 7 HH11 ARG 7 -8.695 3.365 21.727
65 HH12 ARG 7 HH12 ARG 7 -8.655 3.257 23.450
66 HH21 ARG 7 HH21 ARG 7 -5.218 3.649 23.654
67 HH22 ARG 7 HH22 ARG 7 -6.681 3.419 24.544
68 H GLY 8 HN GLY 8 -6.316 2.076 15.365
69 HA2 GLY 8 HA2 GLY 8 -4.251 0.423 16.419
70 HA3 GLY 8 HA1 GLY 8 -5.237 0.072 15.006
71 H ILE 9 HN ILE 9 -4.428 2.456 13.554
72 HA ILE 9 HA ILE 9 -2.079 1.434 12.231
73 HB ILE 9 HB ILE 9 -3.506 4.101 12.032
74 HG12 ILE 9 HG12 ILE 9 -3.333 1.842 10.025
75 HG13 ILE 9 HG11 ILE 9 -4.594 1.895 11.255
76 HG21 ILE 9 HG21 ILE 9 -1.052 3.023 10.654
77 HG22 ILE 9 HG22 ILE 9 -1.350 4.649 11.269
78 HG23 ILE 9 HG23 ILE 9 -2.139 4.108 9.789
79 HD11 ILE 9 HD11 ILE 9 -4.308 4.459 9.883
80 HD12 ILE 9 HD12 ILE 9 -5.750 3.475 10.127
81 HD13 ILE 9 HD13 ILE 9 -4.681 3.148 8.764
82 H VAL 10 HN VAL 10 -2.644 4.134 14.463
83 HA VAL 10 HA VAL 10 0.027 5.120 14.509
84 HB VAL 10 HB VAL 10 -2.162 5.293 16.599
85 HG11 VAL 10 HG11 VAL 10 -0.749 7.378 17.233
86 HG12 VAL 10 HG12 VAL 10 0.560 6.576 16.366
87 HG13 VAL 10 HG13 VAL 10 -0.172 5.801 17.770
88 HG21 VAL 10 HG21 VAL 10 -1.624 6.644 14.057
89 HG22 VAL 10 HG22 VAL 10 -1.731 7.775 15.405
90 HG23 VAL 10 HG23 VAL 10 -3.073 6.684 15.062
91 H HIS 11 HN HIS 11 -1.633 2.729 16.564
92 HA HIS 11 HA HIS 11 0.580 2.339 18.363
93 HB2 HIS 11 HB2 HIS 11 -1.876 1.689 18.722
94 HB3 HIS 11 HB1 HIS 11 -1.529 0.271 17.734
95 HD2 HIS 11 HD2 HIS 11 -0.596 -1.826 19.255
96 HE1 HIS 11 HE1 HIS 11 0.907 0.399 22.514
97 HE2 HIS 11 HE2 HIS 11 0.537 -1.944 21.606
98 H VAL 12 HN VAL 12 -0.487 0.681 15.400
99 HA VAL 12 HA VAL 12 1.468 -1.396 15.425
100 HB VAL 12 HB VAL 12 -0.095 -0.078 13.197
101 HG11 VAL 12 HG11 VAL 12 2.028 -2.224 13.062
102 HG12 VAL 12 HG12 VAL 12 1.838 -0.803 12.034
103 HG13 VAL 12 HG13 VAL 12 0.720 -2.158 11.881
104 HG21 VAL 12 HG21 VAL 12 -0.356 -2.953 13.689
105 HG22 VAL 12 HG22 VAL 12 -1.609 -1.717 13.591
106 HG23 VAL 12 HG23 VAL 12 -0.758 -1.991 15.111
107 H GLY 13 HN GLY 13 1.491 1.837 13.876
108 HA2 GLY 13 HA2 GLY 13 4.103 1.625 12.729
109 HA3 GLY 13 HA1 GLY 13 3.244 3.124 13.066
110 H LYS 14 HN LYS 14 2.928 2.819 15.840
111 HA LYS 14 HA LYS 14 5.382 3.863 16.844
112 HB2 LYS 14 HB2 LYS 14 3.162 4.325 17.834
113 HB3 LYS 14 HB1 LYS 14 3.055 2.647 18.364
114 HG2 LYS 14 HG2 LYS 14 5.132 2.972 19.709
115 HG3 LYS 14 HG1 LYS 14 5.160 4.664 19.211
116 HD2 LYS 14 HD2 LYS 14 4.105 4.668 21.337
117 HD3 LYS 14 HD1 LYS 14 2.784 4.828 20.180
118 HE2 LYS 14 HE2 LYS 14 3.091 2.070 20.421
119 HE3 LYS 14 HE1 LYS 14 3.374 2.652 22.061
120 HZ1 LYS 14 HZ1 LYS 14 1.262 3.407 22.264
121 HZ2 LYS 14 HZ2 LYS 14 0.945 2.179 21.117
122 HZ3 LYS 14 HZ3 LYS 14 1.111 3.804 20.622
123 H THR 15 HN THR 15 3.904 0.655 16.997
124 HA THR 15 HA THR 15 5.834 -0.555 18.721
125 HB THR 15 HB THR 15 4.182 -1.984 16.624
126 HG1 THR 15 HG1 THR 15 2.784 -0.674 17.797
127 HG21 THR 15 HG21 THR 15 5.639 -3.519 17.665
128 HG22 THR 15 HG22 THR 15 4.171 -3.638 18.637
129 HG23 THR 15 HG23 THR 15 5.538 -2.690 19.218
130 H ILE 16 HN ILE 16 5.564 -0.339 15.193
131 HA ILE 16 HA ILE 16 7.807 -1.992 14.557
132 HB ILE 16 HB ILE 16 6.497 0.278 13.037
133 HG12 ILE 16 HG12 ILE 16 6.402 -2.709 12.538
134 HG13 ILE 16 HG11 ILE 16 5.229 -1.890 13.566
135 HG21 ILE 16 HG21 ILE 16 7.697 -1.072 11.090
136 HG22 ILE 16 HG22 ILE 16 8.827 -1.497 12.373
137 HG23 ILE 16 HG23 ILE 16 8.560 0.196 11.958
138 HD11 ILE 16 HD11 ILE 16 5.685 -1.567 10.606
139 HD12 ILE 16 HD12 ILE 16 4.919 -0.281 11.539
140 HD13 ILE 16 HD13 ILE 16 4.176 -1.878 11.464
141 H HIS 17 HN HIS 17 7.531 1.541 15.015
142 HA HIS 17 HA HIS 17 10.259 2.151 14.472
143 HB2 HIS 17 HB2 HIS 17 8.095 3.557 16.030
144 HB3 HIS 17 HB1 HIS 17 9.722 4.226 15.902
145 HD2 HIS 17 HD2 HIS 17 6.496 4.324 13.918
146 HE1 HIS 17 HE1 HIS 17 9.551 5.226 11.146
147 HE2 HIS 17 HE2 HIS 17 7.041 5.238 11.532
148 H ARG 18 HN ARG 18 8.584 1.269 17.478
149 HA ARG 18 HA ARG 18 10.788 1.761 19.235
150 HB2 ARG 18 HB2 ARG 18 8.171 1.107 19.607
151 HB3 ARG 18 HB1 ARG 18 8.937 -0.443 19.948
152 HG2 ARG 18 HG2 ARG 18 10.068 2.065 21.162
153 HG3 ARG 18 HG1 ARG 18 8.639 1.327 21.879
154 HD2 ARG 18 HD2 ARG 18 10.241 0.172 23.056
155 HD3 ARG 18 HD1 ARG 18 10.153 -0.879 21.647
156 HE ARG 18 HE ARG 18 12.222 -0.025 20.863
157 HH11 ARG 18 HH11 ARG 18 11.109 1.632 23.713
158 HH12 ARG 18 HH12 ARG 18 12.632 2.380 24.036
159 HH21 ARG 18 HH21 ARG 18 14.213 0.925 21.308
160 HH22 ARG 18 HH22 ARG 18 14.396 1.977 22.673
161 H LEU 19 HN LEU 19 9.685 -1.154 17.504
162 HA LEU 19 HA LEU 19 11.650 -2.923 18.567
163 HB2 LEU 19 HB2 LEU 19 9.606 -3.686 17.412
164 HB3 LEU 19 HB1 LEU 19 10.227 -3.048 15.891
165 HG LEU 19 HG LEU 19 12.241 -4.558 16.184
166 HD11 LEU 19 HD11 LEU 19 12.318 -5.093 18.463
167 HD12 LEU 19 HD12 LEU 19 11.643 -6.560 17.756
168 HD13 LEU 19 HD13 LEU 19 10.583 -5.397 18.551
169 HD21 LEU 19 HD21 LEU 19 10.701 -6.714 15.877
170 HD22 LEU 19 HD22 LEU 19 10.783 -5.463 14.638
171 HD23 LEU 19 HD23 LEU 19 9.430 -5.496 15.769
172 H VAL 20 HN VAL 20 11.625 -0.906 15.638
173 HA VAL 20 HA VAL 20 14.142 -1.804 14.614
174 HB VAL 20 HB VAL 20 12.563 0.741 14.180
175 HG11 VAL 20 HG11 VAL 20 14.137 0.687 12.036
176 HG12 VAL 20 HG12 VAL 20 15.235 -0.139 13.141
177 HG13 VAL 20 HG13 VAL 20 14.660 1.486 13.518
178 HG21 VAL 20 HG21 VAL 20 13.040 -1.252 12.035
179 HG22 VAL 20 HG22 VAL 20 11.575 -0.359 12.436
180 HG23 VAL 20 HG23 VAL 20 12.009 -1.797 13.358
181 H THR 21 HN THR 21 13.255 1.021 16.622
182 HA THR 21 HA THR 21 15.973 1.974 16.843
183 HB THR 21 HB THR 21 14.929 3.419 18.675
184 HG1 THR 21 HG1 THR 21 12.511 2.407 17.588
185 HG21 THR 21 HG21 THR 21 13.472 4.633 16.935
186 HG22 THR 21 HG22 THR 21 13.958 3.357 15.820
187 HG23 THR 21 HG23 THR 21 15.176 4.407 16.544
188 H GLY 22 HN GLY 22 17.552 1.067 18.063
189 HA2 GLY 22 HA2 GLY 22 17.958 0.711 20.594
190 HA3 GLY 22 HA1 GLY 22 16.734 -0.544 20.423
191 HN1 NH2 23 H1 GLY 22 17.336 -1.982 18.245
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 -15.720 4.409 14.602
2 H2 PHE 1 HT2 PHE 1 -15.208 3.229 15.720
3 H3 PHE 1 HT3 PHE 1 -16.761 3.138 15.025
4 HA PHE 1 HA PHE 1 -14.960 1.594 14.113
5 HB2 PHE 1 HB2 PHE 1 -17.220 2.095 13.089
6 HB3 PHE 1 HB1 PHE 1 -16.454 3.381 12.158
7 HD1 PHE 1 HD1 PHE 1 -15.883 2.805 9.997
8 HD2 PHE 1 HD2 PHE 1 -15.725 -0.182 13.019
9 HE1 PHE 1 HE1 PHE 1 -15.157 1.156 8.329
10 HE2 PHE 1 HE2 PHE 1 -14.999 -1.831 11.352
11 HZ PHE 1 HZ PHE 1 -14.715 -1.162 9.006
12 H PHE 2 HN PHE 2 -14.955 4.944 12.734
13 HA PHE 2 HA PHE 2 -12.496 4.605 11.354
14 HB2 PHE 2 HB2 PHE 2 -13.861 7.130 12.327
15 HB3 PHE 2 HB1 PHE 2 -12.507 7.089 11.196
16 HD1 PHE 2 HD1 PHE 2 -12.860 5.307 9.224
17 HD2 PHE 2 HD2 PHE 2 -15.975 7.231 11.387
18 HE1 PHE 2 HE1 PHE 2 -14.410 4.885 7.368
19 HE2 PHE 2 HE2 PHE 2 -17.526 6.809 9.531
20 HZ PHE 2 HZ PHE 2 -16.743 5.636 7.521
21 H HIS 3 HN HIS 3 -13.194 6.000 14.560
22 HA HIS 3 HA HIS 3 -10.548 6.841 15.159
23 HB2 HIS 3 HB2 HIS 3 -12.682 7.412 16.439
24 HB3 HIS 3 HB1 HIS 3 -12.541 5.830 17.206
25 HD2 HIS 3 HD2 HIS 3 -10.640 9.279 17.160
26 HE1 HIS 3 HE1 HIS 3 -8.978 6.915 20.240
27 HE2 HIS 3 HE2 HIS 3 -8.978 9.221 19.175
28 H HIS 4 HN HIS 4 -12.184 3.744 15.536
29 HA HIS 4 HA HIS 4 -10.155 2.416 17.059
30 HB2 HIS 4 HB2 HIS 4 -12.221 1.246 15.167
31 HB3 HIS 4 HB1 HIS 4 -11.379 0.388 16.460
32 HD2 HIS 4 HD2 HIS 4 -12.271 1.043 19.100
33 HE1 HIS 4 HE1 HIS 4 -15.534 3.421 17.867
34 HE2 HIS 4 HE2 HIS 4 -14.432 2.298 19.860
35 H ILE 5 HN ILE 5 -10.885 2.600 13.600
36 HA ILE 5 HA ILE 5 -8.827 0.826 12.702
37 HB ILE 5 HB ILE 5 -10.336 3.029 11.276
38 HG12 ILE 5 HG12 ILE 5 -10.533 0.023 10.961
39 HG13 ILE 5 HG11 ILE 5 -11.504 0.900 12.142
40 HG21 ILE 5 HG21 ILE 5 -8.391 2.817 9.958
41 HG22 ILE 5 HG22 ILE 5 -9.487 1.648 9.223
42 HG23 ILE 5 HG23 ILE 5 -8.221 1.099 10.321
43 HD11 ILE 5 HD11 ILE 5 -12.397 0.461 9.666
44 HD12 ILE 5 HD12 ILE 5 -11.475 1.927 9.332
45 HD13 ILE 5 HD13 ILE 5 -12.773 1.953 10.525
46 H PHE 6 HN PHE 6 -8.885 4.391 13.050
47 HA PHE 6 HA PHE 6 -6.233 4.761 11.971
48 HB2 PHE 6 HB2 PHE 6 -8.127 6.484 13.552
49 HB3 PHE 6 HB1 PHE 6 -6.467 7.006 13.273
50 HD1 PHE 6 HD1 PHE 6 -9.743 6.639 11.826
51 HD2 PHE 6 HD2 PHE 6 -5.622 7.144 10.914
52 HE1 PHE 6 HE1 PHE 6 -10.337 7.400 9.567
53 HE2 PHE 6 HE2 PHE 6 -6.214 7.906 8.656
54 HZ PHE 6 HZ PHE 6 -8.572 8.034 7.983
55 H ARG 7 HN ARG 7 -7.557 4.287 15.204
56 HA ARG 7 HA ARG 7 -5.248 4.884 16.731
57 HB2 ARG 7 HB2 ARG 7 -7.601 4.508 17.569
58 HB3 ARG 7 HB1 ARG 7 -7.319 2.778 17.389
59 HG2 ARG 7 HG2 ARG 7 -5.314 3.013 18.885
60 HG3 ARG 7 HG1 ARG 7 -5.764 4.698 19.149
61 HD2 ARG 7 HD2 ARG 7 -7.414 2.252 19.843
62 HD3 ARG 7 HD1 ARG 7 -6.632 3.358 20.975
63 HE ARG 7 HE ARG 7 -8.450 4.782 19.253
64 HH11 ARG 7 HH11 ARG 7 -8.266 2.632 21.975
65 HH12 ARG 7 HH12 ARG 7 -9.760 3.153 22.666
66 HH21 ARG 7 HH21 ARG 7 -10.413 5.465 20.152
67 HH22 ARG 7 HH22 ARG 7 -10.978 4.761 21.637
68 H GLY 8 HN GLY 8 -6.343 1.818 15.273
69 HA2 GLY 8 HA2 GLY 8 -4.263 0.164 16.311
70 HA3 GLY 8 HA1 GLY 8 -5.247 -0.184 14.894
71 H ILE 9 HN ILE 9 -4.461 2.235 13.474
72 HA ILE 9 HA ILE 9 -2.104 1.257 12.135
73 HB ILE 9 HB ILE 9 -3.524 3.934 12.003
74 HG12 ILE 9 HG12 ILE 9 -3.376 1.702 9.957
75 HG13 ILE 9 HG11 ILE 9 -4.655 1.788 11.167
76 HG21 ILE 9 HG21 ILE 9 -1.402 4.525 11.228
77 HG22 ILE 9 HG22 ILE 9 -2.148 3.946 9.739
78 HG23 ILE 9 HG23 ILE 9 -1.052 2.900 10.640
79 HD11 ILE 9 HD11 ILE 9 -4.879 4.279 10.273
80 HD12 ILE 9 HD12 ILE 9 -5.660 2.945 9.424
81 HD13 ILE 9 HD13 ILE 9 -4.129 3.591 8.833
82 H VAL 10 HN VAL 10 -2.701 3.889 14.433
83 HA VAL 10 HA VAL 10 -0.039 4.907 14.545
84 HB VAL 10 HB VAL 10 -2.296 4.995 16.571
85 HG11 VAL 10 HG11 VAL 10 -0.500 5.533 17.936
86 HG12 VAL 10 HG12 VAL 10 -0.810 7.115 17.223
87 HG13 VAL 10 HG13 VAL 10 0.489 6.103 16.591
88 HG21 VAL 10 HG21 VAL 10 -1.246 6.962 14.508
89 HG22 VAL 10 HG22 VAL 10 -2.478 7.339 15.711
90 HG23 VAL 10 HG23 VAL 10 -2.803 6.134 14.467
91 H HIS 11 HN HIS 11 -1.717 2.433 16.484
92 HA HIS 11 HA HIS 11 0.408 1.966 18.344
93 HB2 HIS 11 HB2 HIS 11 -1.952 1.219 18.659
94 HB3 HIS 11 HB1 HIS 11 -1.715 0.018 17.391
95 HD2 HIS 11 HD2 HIS 11 -0.756 -2.380 18.373
96 HE1 HIS 11 HE1 HIS 11 0.837 -0.947 22.011
97 HE2 HIS 11 HE2 HIS 11 0.421 -3.026 20.613
98 H VAL 12 HN VAL 12 -0.463 0.417 15.260
99 HA VAL 12 HA VAL 12 1.598 -1.559 15.255
100 HB VAL 12 HB VAL 12 0.076 -0.232 12.993
101 HG11 VAL 12 HG11 VAL 12 0.901 -2.404 11.784
102 HG12 VAL 12 HG12 VAL 12 2.194 -2.379 12.984
103 HG13 VAL 12 HG13 VAL 12 1.991 -1.021 11.877
104 HG21 VAL 12 HG21 VAL 12 -0.674 -2.115 14.922
105 HG22 VAL 12 HG22 VAL 12 -0.296 -3.086 13.501
106 HG23 VAL 12 HG23 VAL 12 -1.502 -1.806 13.396
107 H GLY 13 HN GLY 13 1.501 1.747 13.868
108 HA2 GLY 13 HA2 GLY 13 4.135 1.671 12.742
109 HA3 GLY 13 HA1 GLY 13 3.218 3.124 13.125
110 H LYS 14 HN LYS 14 2.894 2.803 15.876
111 HA LYS 14 HA LYS 14 5.340 3.852 16.890
112 HB2 LYS 14 HB2 LYS 14 3.086 4.303 17.844
113 HB3 LYS 14 HB1 LYS 14 3.029 2.644 18.437
114 HG2 LYS 14 HG2 LYS 14 5.031 3.046 19.812
115 HG3 LYS 14 HG1 LYS 14 5.135 4.697 19.195
116 HD2 LYS 14 HD2 LYS 14 2.901 5.187 20.144
117 HD3 LYS 14 HD1 LYS 14 2.815 3.542 20.776
118 HE2 LYS 14 HE2 LYS 14 4.829 3.956 22.145
119 HE3 LYS 14 HE1 LYS 14 4.917 5.604 21.514
120 HZ1 LYS 14 HZ1 LYS 14 2.624 5.934 22.399
121 HZ2 LYS 14 HZ2 LYS 14 3.802 5.691 23.599
122 HZ3 LYS 14 HZ3 LYS 14 2.748 4.428 23.170
123 H THR 15 HN THR 15 3.902 0.607 17.057
124 HA THR 15 HA THR 15 5.879 -0.510 18.809
125 HB THR 15 HB THR 15 4.953 -2.704 17.613
126 HG1 THR 15 HG1 THR 15 2.862 -0.835 17.166
127 HG21 THR 15 HG21 THR 15 3.263 -2.784 19.283
128 HG22 THR 15 HG22 THR 15 3.093 -1.029 19.306
129 HG23 THR 15 HG23 THR 15 4.544 -1.785 19.964
130 H ILE 16 HN ILE 16 5.574 -0.348 15.279
131 HA ILE 16 HA ILE 16 7.827 -2.025 14.681
132 HB ILE 16 HB ILE 16 6.492 0.179 13.086
133 HG12 ILE 16 HG12 ILE 16 6.490 -2.818 12.644
134 HG13 ILE 16 HG11 ILE 16 5.285 -2.022 13.655
135 HG21 ILE 16 HG21 ILE 16 7.753 -1.096 11.169
136 HG22 ILE 16 HG22 ILE 16 8.842 -1.604 12.458
137 HG23 ILE 16 HG23 ILE 16 8.630 0.111 12.108
138 HD11 ILE 16 HD11 ILE 16 4.369 -2.225 11.423
139 HD12 ILE 16 HD12 ILE 16 5.816 -1.512 10.712
140 HD13 ILE 16 HD13 ILE 16 4.743 -0.524 11.702
141 H HIS 17 HN HIS 17 7.512 1.512 15.056
142 HA HIS 17 HA HIS 17 10.232 2.144 14.501
143 HB2 HIS 17 HB2 HIS 17 7.932 3.517 15.810
144 HB3 HIS 17 HB1 HIS 17 9.540 4.172 16.122
145 HD2 HIS 17 HD2 HIS 17 10.784 5.381 13.876
146 HE1 HIS 17 HE1 HIS 17 7.570 4.792 11.200
147 HE2 HIS 17 HE2 HIS 17 9.817 5.933 11.513
148 H ARG 18 HN ARG 18 8.576 1.269 17.512
149 HA ARG 18 HA ARG 18 10.763 1.796 19.284
150 HB2 ARG 18 HB2 ARG 18 8.217 1.240 19.753
151 HB3 ARG 18 HB1 ARG 18 8.821 -0.414 19.854
152 HG2 ARG 18 HG2 ARG 18 10.580 1.394 21.294
153 HG3 ARG 18 HG1 ARG 18 8.924 1.557 21.874
154 HD2 ARG 18 HD2 ARG 18 9.834 -0.182 23.193
155 HD3 ARG 18 HD1 ARG 18 8.894 -1.024 21.957
156 HE ARG 18 HE ARG 18 11.540 -0.693 20.980
157 HH11 ARG 18 HH11 ARG 18 9.778 -2.389 23.455
158 HH12 ARG 18 HH12 ARG 18 10.886 -3.712 23.529
159 HH21 ARG 18 HH21 ARG 18 12.989 -2.421 21.092
160 HH22 ARG 18 HH22 ARG 18 12.709 -3.730 22.188
161 H LEU 19 HN LEU 19 9.716 -1.143 17.568
162 HA LEU 19 HA LEU 19 11.688 -2.889 18.661
163 HB2 LEU 19 HB2 LEU 19 9.976 -2.956 16.186
164 HB3 LEU 19 HB1 LEU 19 11.164 -4.222 16.496
165 HG LEU 19 HG LEU 19 9.101 -3.402 18.556
166 HD11 LEU 19 HD11 LEU 19 7.807 -5.378 17.805
167 HD12 LEU 19 HD12 LEU 19 8.943 -5.607 16.475
168 HD13 LEU 19 HD13 LEU 19 7.929 -4.165 16.530
169 HD21 LEU 19 HD21 LEU 19 9.630 -5.920 19.135
170 HD22 LEU 19 HD22 LEU 19 10.756 -4.659 19.635
171 HD23 LEU 19 HD23 LEU 19 11.097 -5.628 18.200
172 H VAL 20 HN VAL 20 11.666 -0.939 15.695
173 HA VAL 20 HA VAL 20 14.203 -1.877 14.715
174 HB VAL 20 HB VAL 20 12.542 0.575 14.090
175 HG11 VAL 20 HG11 VAL 20 14.102 0.477 11.968
176 HG12 VAL 20 HG12 VAL 20 15.227 -0.318 13.068
177 HG13 VAL 20 HG13 VAL 20 14.658 1.315 13.416
178 HG21 VAL 20 HG21 VAL 20 11.956 -0.651 12.090
179 HG22 VAL 20 HG22 VAL 20 11.698 -1.728 13.462
180 HG23 VAL 20 HG23 VAL 20 13.136 -1.910 12.456
181 H THR 21 HN THR 21 13.210 0.975 16.582
182 HA THR 21 HA THR 21 15.828 2.168 16.701
183 HB THR 21 HB THR 21 13.550 2.639 18.628
184 HG1 THR 21 HG1 THR 21 12.577 2.844 16.693
185 HG21 THR 21 HG21 THR 21 14.501 5.023 18.302
186 HG22 THR 21 HG22 THR 21 15.907 4.219 17.605
187 HG23 THR 21 HG23 THR 21 15.442 3.892 19.275
188 H GLY 22 HN GLY 22 17.524 1.681 18.020
189 HA2 GLY 22 HA2 GLY 22 17.270 0.991 20.755
190 HA3 GLY 22 HA1 GLY 22 17.458 -0.495 19.826
191 HN1 NH2 23 H1 GLY 22 19.530 -0.260 21.430
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 -15.216 3.442 15.606
2 H2 PHE 1 HT2 PHE 1 -16.724 3.382 14.813
3 H3 PHE 1 HT3 PHE 1 -15.603 4.596 14.421
4 HA PHE 1 HA PHE 1 -14.846 1.771 14.088
5 HB2 PHE 1 HB2 PHE 1 -16.526 3.424 12.169
6 HB3 PHE 1 HB1 PHE 1 -15.689 1.938 11.722
7 HD1 PHE 1 HD1 PHE 1 -18.559 3.358 13.389
8 HD2 PHE 1 HD2 PHE 1 -16.281 -0.196 12.873
9 HE1 PHE 1 HE1 PHE 1 -20.422 2.034 14.284
10 HE2 PHE 1 HE2 PHE 1 -18.146 -1.520 13.766
11 HZ PHE 1 HZ PHE 1 -20.217 -0.405 14.471
12 H PHE 2 HN PHE 2 -14.898 5.034 12.538
13 HA PHE 2 HA PHE 2 -12.428 4.720 11.189
14 HB2 PHE 2 HB2 PHE 2 -14.133 6.463 10.679
15 HB3 PHE 2 HB1 PHE 2 -13.692 7.297 12.167
16 HD1 PHE 2 HD1 PHE 2 -12.241 5.996 9.001
17 HD2 PHE 2 HD2 PHE 2 -11.905 8.802 12.176
18 HE1 PHE 2 HE1 PHE 2 -10.374 7.086 7.838
19 HE2 PHE 2 HE2 PHE 2 -10.038 9.894 11.014
20 HZ PHE 2 HZ PHE 2 -9.273 9.036 8.845
21 H HIS 3 HN HIS 3 -13.167 6.186 14.351
22 HA HIS 3 HA HIS 3 -10.535 7.034 14.980
23 HB2 HIS 3 HB2 HIS 3 -13.037 6.534 16.509
24 HB3 HIS 3 HB1 HIS 3 -11.537 6.552 17.434
25 HD2 HIS 3 HD2 HIS 3 -13.487 9.024 15.010
26 HE1 HIS 3 HE1 HIS 3 -10.849 11.260 17.433
27 HE2 HIS 3 HE2 HIS 3 -12.676 11.417 15.675
28 H HIS 4 HN HIS 4 -12.180 3.936 15.499
29 HA HIS 4 HA HIS 4 -10.115 2.745 17.095
30 HB2 HIS 4 HB2 HIS 4 -12.135 1.334 15.325
31 HB3 HIS 4 HB1 HIS 4 -11.300 0.677 16.732
32 HD2 HIS 4 HD2 HIS 4 -12.338 1.515 19.241
33 HE1 HIS 4 HE1 HIS 4 -15.601 3.683 17.665
34 HE2 HIS 4 HE2 HIS 4 -14.568 2.759 19.793
35 H ILE 5 HN ILE 5 -10.877 2.703 13.652
36 HA ILE 5 HA ILE 5 -8.812 0.900 12.832
37 HB ILE 5 HB ILE 5 -10.297 3.058 11.313
38 HG12 ILE 5 HG12 ILE 5 -10.517 0.043 11.100
39 HG13 ILE 5 HG11 ILE 5 -11.513 0.979 12.214
40 HG21 ILE 5 HG21 ILE 5 -8.455 2.831 9.935
41 HG22 ILE 5 HG22 ILE 5 -9.398 1.456 9.364
42 HG23 ILE 5 HG23 ILE 5 -8.086 1.207 10.514
43 HD11 ILE 5 HD11 ILE 5 -12.184 2.406 10.201
44 HD12 ILE 5 HD12 ILE 5 -12.811 0.759 10.218
45 HD13 ILE 5 HD13 ILE 5 -11.434 1.167 9.195
46 H PHE 6 HN PHE 6 -8.919 4.449 13.082
47 HA PHE 6 HA PHE 6 -6.292 4.894 12.008
48 HB2 PHE 6 HB2 PHE 6 -8.116 6.622 12.196
49 HB3 PHE 6 HB1 PHE 6 -7.818 6.670 13.932
50 HD1 PHE 6 HD1 PHE 6 -6.142 7.063 10.643
51 HD2 PHE 6 HD2 PHE 6 -6.064 7.972 14.795
52 HE1 PHE 6 HE1 PHE 6 -4.254 8.588 10.273
53 HE2 PHE 6 HE2 PHE 6 -4.176 9.497 14.427
54 HZ PHE 6 HZ PHE 6 -3.271 9.806 12.166
55 H ARG 7 HN ARG 7 -7.567 4.454 15.272
56 HA ARG 7 HA ARG 7 -5.177 5.014 16.712
57 HB2 ARG 7 HB2 ARG 7 -7.735 4.474 17.449
58 HB3 ARG 7 HB1 ARG 7 -6.969 2.940 17.839
59 HG2 ARG 7 HG2 ARG 7 -6.016 3.826 19.668
60 HG3 ARG 7 HG1 ARG 7 -5.269 5.104 18.708
61 HD2 ARG 7 HD2 ARG 7 -8.132 5.126 19.707
62 HD3 ARG 7 HD1 ARG 7 -6.801 5.993 20.468
63 HE ARG 7 HE ARG 7 -6.638 6.989 17.985
64 HH11 ARG 7 HH11 ARG 7 -9.416 6.364 19.973
65 HH12 ARG 7 HH12 ARG 7 -10.360 7.639 19.286
66 HH21 ARG 7 HH21 ARG 7 -7.875 8.663 17.104
67 HH22 ARG 7 HH22 ARG 7 -9.502 8.931 17.647
68 H GLY 8 HN GLY 8 -6.442 1.993 15.336
69 HA2 GLY 8 HA2 GLY 8 -4.462 0.229 16.396
70 HA3 GLY 8 HA1 GLY 8 -5.451 -0.059 14.970
71 H ILE 9 HN ILE 9 -4.563 2.268 13.534
72 HA ILE 9 HA ILE 9 -2.237 1.186 12.227
73 HB ILE 9 HB ILE 9 -3.590 3.886 12.010
74 HG12 ILE 9 HG12 ILE 9 -3.474 1.597 10.031
75 HG13 ILE 9 HG11 ILE 9 -4.753 1.739 11.235
76 HG21 ILE 9 HG21 ILE 9 -2.167 3.662 9.719
77 HG22 ILE 9 HG22 ILE 9 -1.066 2.839 10.822
78 HG23 ILE 9 HG23 ILE 9 -1.556 4.504 11.142
79 HD11 ILE 9 HD11 ILE 9 -5.045 4.156 10.314
80 HD12 ILE 9 HD12 ILE 9 -5.671 2.817 9.353
81 HD13 ILE 9 HD13 ILE 9 -4.137 3.570 8.921
82 H VAL 10 HN VAL 10 -2.733 3.900 14.454
83 HA VAL 10 HA VAL 10 -0.026 4.789 14.513
84 HB VAL 10 HB VAL 10 -2.248 5.081 16.552
85 HG11 VAL 10 HG11 VAL 10 -0.268 5.463 17.790
86 HG12 VAL 10 HG12 VAL 10 -0.738 7.073 17.249
87 HG13 VAL 10 HG13 VAL 10 0.551 6.205 16.417
88 HG21 VAL 10 HG21 VAL 10 -1.525 6.406 14.037
89 HG22 VAL 10 HG22 VAL 10 -1.641 7.535 15.387
90 HG23 VAL 10 HG23 VAL 10 -3.017 6.515 14.972
91 H HIS 11 HN HIS 11 -1.808 2.473 16.543
92 HA HIS 11 HA HIS 11 0.328 2.001 18.403
93 HB2 HIS 11 HB2 HIS 11 -2.262 0.710 17.721
94 HB3 HIS 11 HB1 HIS 11 -1.074 -0.296 18.548
95 HD2 HIS 11 HD2 HIS 11 -3.821 1.994 19.568
96 HE1 HIS 11 HE1 HIS 11 -0.953 2.422 22.638
97 HE2 HIS 11 HE2 HIS 11 -3.363 2.881 21.983
98 H VAL 12 HN VAL 12 -0.687 0.336 15.420
99 HA VAL 12 HA VAL 12 1.194 -1.795 15.529
100 HB VAL 12 HB VAL 12 -0.163 -0.423 13.199
101 HG11 VAL 12 HG11 VAL 12 1.793 -2.723 13.254
102 HG12 VAL 12 HG12 VAL 12 1.766 -1.330 12.174
103 HG13 VAL 12 HG13 VAL 12 0.565 -2.606 11.995
104 HG21 VAL 12 HG21 VAL 12 -1.777 -2.032 13.415
105 HG22 VAL 12 HG22 VAL 12 -1.207 -2.084 15.082
106 HG23 VAL 12 HG23 VAL 12 -0.625 -3.269 13.914
107 H GLY 13 HN GLY 13 1.415 1.408 13.951
108 HA2 GLY 13 HA2 GLY 13 4.061 1.077 12.920
109 HA3 GLY 13 HA1 GLY 13 3.249 2.615 13.190
110 H LYS 14 HN LYS 14 2.807 2.134 16.017
111 HA LYS 14 HA LYS 14 5.169 3.272 17.110
112 HB2 LYS 14 HB2 LYS 14 2.894 3.482 18.097
113 HB3 LYS 14 HB1 LYS 14 2.967 1.787 18.567
114 HG2 LYS 14 HG2 LYS 14 4.977 2.257 19.937
115 HG3 LYS 14 HG1 LYS 14 4.886 3.955 19.469
116 HD2 LYS 14 HD2 LYS 14 3.816 3.852 21.587
117 HD3 LYS 14 HD1 LYS 14 2.494 3.922 20.420
118 HE2 LYS 14 HE2 LYS 14 2.659 1.289 20.509
119 HE3 LYS 14 HE1 LYS 14 3.473 1.587 22.045
120 HZ1 LYS 14 HZ1 LYS 14 1.385 1.617 22.835
121 HZ2 LYS 14 HZ2 LYS 14 0.676 1.953 21.319
122 HZ3 LYS 14 HZ3 LYS 14 1.360 3.209 22.252
123 H THR 15 HN THR 15 3.997 -0.074 16.981
124 HA THR 15 HA THR 15 6.036 -1.179 18.678
125 HB THR 15 HB THR 15 5.291 -3.341 17.851
126 HG1 THR 15 HG1 THR 15 3.970 -1.777 15.869
127 HG21 THR 15 HG21 THR 15 3.682 -1.452 19.107
128 HG22 THR 15 HG22 THR 15 3.366 -3.184 19.009
129 HG23 THR 15 HG23 THR 15 2.659 -2.091 17.822
130 H ILE 16 HN ILE 16 5.735 -0.773 15.167
131 HA ILE 16 HA ILE 16 8.121 -2.179 14.464
132 HB ILE 16 HB ILE 16 6.576 -0.004 13.027
133 HG12 ILE 16 HG12 ILE 16 6.761 -2.973 12.444
134 HG13 ILE 16 HG11 ILE 16 5.520 -2.297 13.498
135 HG21 ILE 16 HG21 ILE 16 8.671 0.130 11.987
136 HG22 ILE 16 HG22 ILE 16 7.881 -1.120 11.027
137 HG23 ILE 16 HG23 ILE 16 9.037 -1.570 12.280
138 HD11 ILE 16 HD11 ILE 16 4.969 -2.601 10.966
139 HD12 ILE 16 HD12 ILE 16 5.951 -1.154 10.744
140 HD13 ILE 16 HD13 ILE 16 4.508 -1.093 11.755
141 H HIS 17 HN HIS 17 7.479 1.275 15.064
142 HA HIS 17 HA HIS 17 10.117 2.193 14.508
143 HB2 HIS 17 HB2 HIS 17 7.862 3.327 16.164
144 HB3 HIS 17 HB1 HIS 17 9.394 4.174 15.950
145 HD2 HIS 17 HD2 HIS 17 6.076 4.091 14.219
146 HE1 HIS 17 HE1 HIS 17 8.840 4.995 11.157
147 HE2 HIS 17 HE2 HIS 17 6.375 4.947 11.770
148 H ARG 18 HN ARG 18 8.615 0.941 17.450
149 HA ARG 18 HA ARG 18 10.763 1.659 19.219
150 HB2 ARG 18 HB2 ARG 18 8.495 1.117 20.043
151 HB3 ARG 18 HB1 ARG 18 8.710 -0.552 19.516
152 HG2 ARG 18 HG2 ARG 18 9.233 -0.499 21.863
153 HG3 ARG 18 HG1 ARG 18 10.767 -0.654 21.015
154 HD2 ARG 18 HD2 ARG 18 11.032 1.847 21.172
155 HD3 ARG 18 HD1 ARG 18 9.574 1.888 22.158
156 HE ARG 18 HE ARG 18 10.773 0.953 23.949
157 HH11 ARG 18 HH11 ARG 18 12.615 0.894 21.003
158 HH12 ARG 18 HH12 ARG 18 14.108 0.503 21.783
159 HH21 ARG 18 HH21 ARG 18 12.726 0.422 24.962
160 HH22 ARG 18 HH22 ARG 18 14.166 0.223 24.026
161 H LEU 19 HN LEU 19 10.000 -1.300 17.385
162 HA LEU 19 HA LEU 19 12.150 -2.867 18.417
163 HB2 LEU 19 HB2 LEU 19 10.547 -3.026 15.863
164 HB3 LEU 19 HB1 LEU 19 11.792 -4.205 16.273
165 HG LEU 19 HG LEU 19 9.505 -3.526 18.142
166 HD11 LEU 19 HD11 LEU 19 8.583 -5.756 17.325
167 HD12 LEU 19 HD12 LEU 19 9.721 -5.637 15.982
168 HD13 LEU 19 HD13 LEU 19 8.459 -4.422 16.178
169 HD21 LEU 19 HD21 LEU 19 10.935 -4.693 19.491
170 HD22 LEU 19 HD22 LEU 19 11.825 -5.369 18.127
171 HD23 LEU 19 HD23 LEU 19 10.300 -6.097 18.633
172 H VAL 20 HN VAL 20 11.903 -0.796 15.536
173 HA VAL 20 HA VAL 20 14.539 -1.381 14.557
174 HB VAL 20 HB VAL 20 12.611 0.893 14.040
175 HG11 VAL 20 HG11 VAL 20 14.619 1.935 13.474
176 HG12 VAL 20 HG12 VAL 20 14.229 1.116 11.963
177 HG13 VAL 20 HG13 VAL 20 15.413 0.413 13.062
178 HG21 VAL 20 HG21 VAL 20 12.043 -1.422 13.233
179 HG22 VAL 20 HG22 VAL 20 13.539 -1.413 12.298
180 HG23 VAL 20 HG23 VAL 20 12.261 -0.257 11.928
181 H THR 21 HN THR 21 13.216 1.308 16.504
182 HA THR 21 HA THR 21 15.762 2.644 16.763
183 HB THR 21 HB THR 21 13.391 3.041 18.581
184 HG1 THR 21 HG1 THR 21 12.453 3.125 16.615
185 HG21 THR 21 HG21 THR 21 15.472 4.287 19.044
186 HG22 THR 21 HG22 THR 21 14.192 5.372 18.502
187 HG23 THR 21 HG23 THR 21 15.473 4.894 17.388
188 H GLY 22 HN GLY 22 17.409 2.099 18.100
189 HA2 GLY 22 HA2 GLY 22 17.161 0.009 20.045
190 HA3 GLY 22 HA1 GLY 22 18.550 1.064 19.831
191 HN1 NH2 23 H1 GLY 22 18.362 3.299 20.891
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 -16.601 3.014 15.092
2 H2 PHE 1 HT2 PHE 1 -15.615 4.317 14.624
3 H3 PHE 1 HT3 PHE 1 -15.049 3.185 15.763
4 HA PHE 1 HA PHE 1 -14.759 1.518 14.190
5 HB2 PHE 1 HB2 PHE 1 -16.462 3.230 12.345
6 HB3 PHE 1 HB1 PHE 1 -15.683 1.716 11.885
7 HD1 PHE 1 HD1 PHE 1 -16.257 -0.376 13.200
8 HD2 PHE 1 HD2 PHE 1 -18.529 3.208 13.467
9 HE1 PHE 1 HE1 PHE 1 -18.138 -1.640 14.146
10 HE2 PHE 1 HE2 PHE 1 -20.410 1.945 14.413
11 HZ PHE 1 HZ PHE 1 -20.215 -0.478 14.752
12 H PHE 2 HN PHE 2 -14.881 4.828 12.749
13 HA PHE 2 HA PHE 2 -12.434 4.569 11.341
14 HB2 PHE 2 HB2 PHE 2 -14.150 6.303 10.881
15 HB3 PHE 2 HB1 PHE 2 -13.728 7.102 12.394
16 HD1 PHE 2 HD1 PHE 2 -12.244 5.913 9.197
17 HD2 PHE 2 HD2 PHE 2 -11.975 8.642 12.445
18 HE1 PHE 2 HE1 PHE 2 -10.400 7.074 8.067
19 HE2 PHE 2 HE2 PHE 2 -10.129 9.804 11.317
20 HZ PHE 2 HZ PHE 2 -9.342 9.020 9.127
21 H HIS 3 HN HIS 3 -13.143 5.965 14.536
22 HA HIS 3 HA HIS 3 -10.525 6.854 15.146
23 HB2 HIS 3 HB2 HIS 3 -12.741 5.911 16.987
24 HB3 HIS 3 HB1 HIS 3 -11.305 6.793 17.505
25 HD2 HIS 3 HD2 HIS 3 -11.284 9.554 16.804
26 HE1 HIS 3 HE1 HIS 3 -15.200 9.618 15.226
27 HE2 HIS 3 HE2 HIS 3 -13.235 11.060 15.939
28 H HIS 4 HN HIS 4 -12.113 3.728 15.633
29 HA HIS 4 HA HIS 4 -10.032 2.509 17.180
30 HB2 HIS 4 HB2 HIS 4 -12.074 1.180 15.373
31 HB3 HIS 4 HB1 HIS 4 -11.210 0.436 16.719
32 HD2 HIS 4 HD2 HIS 4 -12.204 1.087 19.285
33 HE1 HIS 4 HE1 HIS 4 -15.417 3.482 17.952
34 HE2 HIS 4 HE2 HIS 4 -14.374 2.364 19.980
35 H ILE 5 HN ILE 5 -10.817 2.568 13.743
36 HA ILE 5 HA ILE 5 -8.737 0.814 12.850
37 HB ILE 5 HB ILE 5 -10.311 2.972 11.433
38 HG12 ILE 5 HG12 ILE 5 -11.449 0.848 12.294
39 HG13 ILE 5 HG11 ILE 5 -11.624 1.175 10.573
40 HG21 ILE 5 HG21 ILE 5 -8.153 1.122 10.440
41 HG22 ILE 5 HG22 ILE 5 -8.403 2.830 10.081
42 HG23 ILE 5 HG23 ILE 5 -9.461 1.616 9.365
43 HD11 ILE 5 HD11 ILE 5 -10.948 -1.236 11.391
44 HD12 ILE 5 HD12 ILE 5 -9.335 -0.537 11.509
45 HD13 ILE 5 HD13 ILE 5 -10.179 -0.549 9.962
46 H PHE 6 HN PHE 6 -8.910 4.353 13.188
47 HA PHE 6 HA PHE 6 -6.319 4.889 12.075
48 HB2 PHE 6 HB2 PHE 6 -8.184 6.564 12.380
49 HB3 PHE 6 HB1 PHE 6 -7.822 6.561 14.105
50 HD1 PHE 6 HD1 PHE 6 -6.340 7.161 10.765
51 HD2 PHE 6 HD2 PHE 6 -6.007 7.814 14.953
52 HE1 PHE 6 HE1 PHE 6 -4.499 8.737 10.372
53 HE2 PHE 6 HE2 PHE 6 -4.166 9.391 14.561
54 HZ PHE 6 HZ PHE 6 -3.412 9.852 12.270
55 H ARG 7 HN ARG 7 -7.511 4.296 15.345
56 HA ARG 7 HA ARG 7 -5.117 4.864 16.769
57 HB2 ARG 7 HB2 ARG 7 -7.334 4.548 17.846
58 HB3 ARG 7 HB1 ARG 7 -7.240 2.823 17.485
59 HG2 ARG 7 HG2 ARG 7 -5.098 2.713 18.780
60 HG3 ARG 7 HG1 ARG 7 -5.308 4.409 19.207
61 HD2 ARG 7 HD2 ARG 7 -7.516 3.819 20.236
62 HD3 ARG 7 HD1 ARG 7 -7.160 2.120 19.934
63 HE ARG 7 HE ARG 7 -6.056 3.775 22.035
64 HH11 ARG 7 HH11 ARG 7 -5.425 1.093 19.925
65 HH12 ARG 7 HH12 ARG 7 -4.262 0.364 20.976
66 HH21 ARG 7 HH21 ARG 7 -4.557 2.807 23.418
67 HH22 ARG 7 HH22 ARG 7 -3.777 1.333 22.961
68 H GLY 8 HN GLY 8 -6.302 1.848 15.286
69 HA2 GLY 8 HA2 GLY 8 -4.217 0.143 16.224
70 HA3 GLY 8 HA1 GLY 8 -5.246 -0.151 14.827
71 H ILE 9 HN ILE 9 -4.487 2.287 13.444
72 HA ILE 9 HA ILE 9 -2.181 1.335 12.011
73 HB ILE 9 HB ILE 9 -3.593 4.017 11.987
74 HG12 ILE 9 HG12 ILE 9 -3.556 1.811 9.910
75 HG13 ILE 9 HG11 ILE 9 -4.777 1.894 11.177
76 HG21 ILE 9 HG21 ILE 9 -2.332 4.074 9.673
77 HG22 ILE 9 HG22 ILE 9 -1.213 2.971 10.470
78 HG23 ILE 9 HG23 ILE 9 -1.486 4.583 11.133
79 HD11 ILE 9 HD11 ILE 9 -4.435 3.588 8.769
80 HD12 ILE 9 HD12 ILE 9 -4.873 4.449 10.244
81 HD13 ILE 9 HD13 ILE 9 -5.904 3.152 9.639
82 H VAL 10 HN VAL 10 -2.694 3.926 14.373
83 HA VAL 10 HA VAL 10 0.003 4.877 14.392
84 HB VAL 10 HB VAL 10 -2.175 5.089 16.488
85 HG11 VAL 10 HG11 VAL 10 0.627 6.125 16.328
86 HG12 VAL 10 HG12 VAL 10 -0.308 5.643 17.743
87 HG13 VAL 10 HG13 VAL 10 -0.610 7.202 16.975
88 HG21 VAL 10 HG21 VAL 10 -2.974 6.307 14.671
89 HG22 VAL 10 HG22 VAL 10 -1.356 6.669 14.072
90 HG23 VAL 10 HG23 VAL 10 -1.994 7.536 15.468
91 H HIS 11 HN HIS 11 -1.721 2.485 16.386
92 HA HIS 11 HA HIS 11 0.348 2.024 18.281
93 HB2 HIS 11 HB2 HIS 11 -2.096 1.264 18.355
94 HB3 HIS 11 HB1 HIS 11 -1.604 -0.073 17.318
95 HD2 HIS 11 HD2 HIS 11 1.109 -1.095 18.721
96 HE1 HIS 11 HE1 HIS 11 -1.006 -1.008 22.376
97 HE2 HIS 11 HE2 HIS 11 1.060 -1.908 21.202
98 H VAL 12 HN VAL 12 -0.462 0.174 15.304
99 HA VAL 12 HA VAL 12 1.755 -1.603 15.536
100 HB VAL 12 HB VAL 12 1.378 -2.179 13.178
101 HG11 VAL 12 HG11 VAL 12 -0.223 -3.455 14.106
102 HG12 VAL 12 HG12 VAL 12 -1.379 -2.186 13.701
103 HG13 VAL 12 HG13 VAL 12 -0.615 -2.207 15.289
104 HG21 VAL 12 HG21 VAL 12 0.888 -0.131 12.091
105 HG22 VAL 12 HG22 VAL 12 -0.365 0.282 13.259
106 HG23 VAL 12 HG23 VAL 12 -0.643 -1.004 12.090
107 H GLY 13 HN GLY 13 1.434 1.517 13.845
108 HA2 GLY 13 HA2 GLY 13 3.975 1.495 12.563
109 HA3 GLY 13 HA1 GLY 13 3.049 2.932 12.979
110 H LYS 14 HN LYS 14 2.953 2.881 15.690
111 HA LYS 14 HA LYS 14 5.555 3.826 16.404
112 HB2 LYS 14 HB2 LYS 14 3.417 4.597 17.471
113 HB3 LYS 14 HB1 LYS 14 3.343 3.055 18.324
114 HG2 LYS 14 HG2 LYS 14 4.389 4.638 19.816
115 HG3 LYS 14 HG1 LYS 14 5.655 3.554 19.241
116 HD2 LYS 14 HD2 LYS 14 6.181 5.272 17.446
117 HD3 LYS 14 HD1 LYS 14 5.064 6.363 18.260
118 HE2 LYS 14 HE2 LYS 14 6.428 6.596 20.128
119 HE3 LYS 14 HE1 LYS 14 7.237 5.049 19.860
120 HZ1 LYS 14 HZ1 LYS 14 7.527 7.354 18.011
121 HZ2 LYS 14 HZ2 LYS 14 8.483 5.944 18.069
122 HZ3 LYS 14 HZ3 LYS 14 8.572 7.098 19.321
123 H THR 15 HN THR 15 3.913 0.743 16.876
124 HA THR 15 HA THR 15 5.778 -0.441 18.680
125 HB THR 15 HB THR 15 4.162 -1.891 16.567
126 HG1 THR 15 HG1 THR 15 2.825 -0.500 17.786
127 HG21 THR 15 HG21 THR 15 5.654 -3.402 17.621
128 HG22 THR 15 HG22 THR 15 4.132 -3.596 18.491
129 HG23 THR 15 HG23 THR 15 5.434 -2.641 19.197
130 H ILE 16 HN ILE 16 5.610 -0.315 15.160
131 HA ILE 16 HA ILE 16 7.910 -1.957 14.625
132 HB ILE 16 HB ILE 16 6.594 0.237 13.000
133 HG12 ILE 16 HG12 ILE 16 6.643 -2.755 12.547
134 HG13 ILE 16 HG11 ILE 16 5.400 -1.978 13.525
135 HG21 ILE 16 HG21 ILE 16 8.738 0.208 12.059
136 HG22 ILE 16 HG22 ILE 16 7.930 -1.050 11.126
137 HG23 ILE 16 HG23 ILE 16 8.997 -1.491 12.458
138 HD11 ILE 16 HD11 ILE 16 5.210 -0.393 11.390
139 HD12 ILE 16 HD12 ILE 16 4.357 -1.935 11.461
140 HD13 ILE 16 HD13 ILE 16 5.877 -1.809 10.576
141 H HIS 17 HN HIS 17 7.474 1.548 15.021
142 HA HIS 17 HA HIS 17 10.148 2.355 14.593
143 HB2 HIS 17 HB2 HIS 17 8.261 3.927 14.713
144 HB3 HIS 17 HB1 HIS 17 8.068 3.577 16.429
145 HD2 HIS 17 HD2 HIS 17 11.456 4.425 14.523
146 HE1 HIS 17 HE1 HIS 17 11.013 7.058 17.795
147 HE2 HIS 17 HE2 HIS 17 12.560 6.342 15.912
148 H ARG 18 HN ARG 18 8.508 1.299 17.570
149 HA ARG 18 HA ARG 18 10.730 1.779 19.317
150 HB2 ARG 18 HB2 ARG 18 8.139 1.159 19.745
151 HB3 ARG 18 HB1 ARG 18 8.859 -0.432 19.986
152 HG2 ARG 18 HG2 ARG 18 10.162 1.935 21.289
153 HG3 ARG 18 HG1 ARG 18 8.677 1.302 21.996
154 HD2 ARG 18 HD2 ARG 18 10.157 -0.055 23.107
155 HD3 ARG 18 HD1 ARG 18 9.996 -1.018 21.645
156 HE ARG 18 HE ARG 18 12.099 -0.153 20.848
157 HH11 ARG 18 HH11 ARG 18 11.247 0.878 24.062
158 HH12 ARG 18 HH12 ARG 18 12.858 1.331 24.486
159 HH21 ARG 18 HH21 ARG 18 14.199 0.423 21.416
160 HH22 ARG 18 HH22 ARG 18 14.537 1.070 22.987
161 H LEU 19 HN LEU 19 9.625 -1.113 17.555
162 HA LEU 19 HA LEU 19 11.585 -2.900 18.586
163 HB2 LEU 19 HB2 LEU 19 9.539 -3.626 17.407
164 HB3 LEU 19 HB1 LEU 19 10.175 -2.967 15.904
165 HG LEU 19 HG LEU 19 12.127 -4.509 16.084
166 HD11 LEU 19 HD11 LEU 19 11.487 -6.486 17.785
167 HD12 LEU 19 HD12 LEU 19 10.753 -5.141 18.657
168 HD13 LEU 19 HD13 LEU 19 12.476 -5.113 18.279
169 HD21 LEU 19 HD21 LEU 19 10.899 -6.539 15.495
170 HD22 LEU 19 HD22 LEU 19 10.071 -5.138 14.818
171 HD23 LEU 19 HD23 LEU 19 9.445 -5.916 16.271
172 H VAL 20 HN VAL 20 11.573 -0.843 15.693
173 HA VAL 20 HA VAL 20 14.120 -1.725 14.697
174 HB VAL 20 HB VAL 20 12.509 0.791 14.199
175 HG11 VAL 20 HG11 VAL 20 14.042 0.779 12.078
176 HG12 VAL 20 HG12 VAL 20 15.139 -0.167 13.084
177 HG13 VAL 20 HG13 VAL 20 14.672 1.461 13.577
178 HG21 VAL 20 HG21 VAL 20 12.057 -1.830 13.425
179 HG22 VAL 20 HG22 VAL 20 12.940 -1.168 12.049
180 HG23 VAL 20 HG23 VAL 20 11.445 -0.404 12.587
181 H THR 21 HN THR 21 13.114 1.057 16.690
182 HA THR 21 HA THR 21 15.767 2.169 16.900
183 HB THR 21 HB THR 21 13.477 2.689 18.794
184 HG1 THR 21 HG1 THR 21 12.531 2.949 16.844
185 HG21 THR 21 HG21 THR 21 15.885 4.201 17.787
186 HG22 THR 21 HG22 THR 21 15.434 3.846 19.455
187 HG23 THR 21 HG23 THR 21 14.519 5.034 18.526
188 H GLY 22 HN GLY 22 17.414 1.471 18.167
189 HA2 GLY 22 HA2 GLY 22 16.863 -0.499 20.267
190 HA3 GLY 22 HA1 GLY 22 18.446 0.012 19.695
191 HN1 NH2 23 H1 GLY 22 19.164 2.271 20.435
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 -16.822 4.423 15.336
2 H2 PHE 1 HT2 PHE 1 -15.744 5.515 14.608
3 H3 PHE 1 HT3 PHE 1 -15.207 4.491 15.856
4 HA PHE 1 HA PHE 1 -15.361 2.573 14.505
5 HB2 PHE 1 HB2 PHE 1 -16.782 4.425 12.562
6 HB3 PHE 1 HB1 PHE 1 -16.246 2.797 12.147
7 HD1 PHE 1 HD1 PHE 1 -18.818 4.754 13.677
8 HD2 PHE 1 HD2 PHE 1 -17.091 0.868 13.585
9 HE1 PHE 1 HE1 PHE 1 -20.855 3.825 14.684
10 HE2 PHE 1 HE2 PHE 1 -19.129 -0.060 14.592
11 HZ PHE 1 HZ PHE 1 -21.010 1.418 15.141
12 H PHE 2 HN PHE 2 -14.897 5.691 12.761
13 HA PHE 2 HA PHE 2 -12.550 4.852 11.388
14 HB2 PHE 2 HB2 PHE 2 -13.599 7.611 12.069
15 HB3 PHE 2 HB1 PHE 2 -12.216 7.321 11.015
16 HD1 PHE 2 HD1 PHE 2 -15.807 7.334 11.272
17 HD2 PHE 2 HD2 PHE 2 -12.535 5.943 8.941
18 HE1 PHE 2 HE1 PHE 2 -17.324 6.928 9.386
19 HE2 PHE 2 HE2 PHE 2 -14.052 5.537 7.053
20 HZ PHE 2 HZ PHE 2 -16.447 6.030 7.277
21 H HIS 3 HN HIS 3 -13.044 6.553 14.462
22 HA HIS 3 HA HIS 3 -10.346 7.229 14.999
23 HB2 HIS 3 HB2 HIS 3 -12.576 6.538 16.937
24 HB3 HIS 3 HB1 HIS 3 -11.060 7.332 17.369
25 HD2 HIS 3 HD2 HIS 3 -10.970 10.076 16.803
26 HE1 HIS 3 HE1 HIS 3 -14.718 10.324 14.873
27 HE2 HIS 3 HE2 HIS 3 -12.764 11.673 15.778
28 H HIS 4 HN HIS 4 -12.161 4.244 15.511
29 HA HIS 4 HA HIS 4 -10.131 2.934 17.083
30 HB2 HIS 4 HB2 HIS 4 -12.340 1.680 15.425
31 HB3 HIS 4 HB1 HIS 4 -11.461 0.935 16.760
32 HD2 HIS 4 HD2 HIS 4 -12.415 1.604 19.312
33 HE1 HIS 4 HE1 HIS 4 -15.339 4.379 18.059
34 HE2 HIS 4 HE2 HIS 4 -14.420 3.105 20.053
35 H ILE 5 HN ILE 5 -10.951 3.047 13.650
36 HA ILE 5 HA ILE 5 -9.122 1.030 12.783
37 HB ILE 5 HB ILE 5 -10.344 3.388 11.326
38 HG12 ILE 5 HG12 ILE 5 -11.787 1.441 12.213
39 HG13 ILE 5 HG11 ILE 5 -11.924 1.799 10.492
40 HG21 ILE 5 HG21 ILE 5 -8.465 1.222 10.418
41 HG22 ILE 5 HG22 ILE 5 -8.480 2.932 9.985
42 HG23 ILE 5 HG23 ILE 5 -9.682 1.839 9.300
43 HD11 ILE 5 HD11 ILE 5 -10.705 -0.096 9.866
44 HD12 ILE 5 HD12 ILE 5 -11.581 -0.694 11.275
45 HD13 ILE 5 HD13 ILE 5 -9.893 -0.214 11.426
46 H PHE 6 HN PHE 6 -8.812 4.573 13.065
47 HA PHE 6 HA PHE 6 -6.134 4.670 12.005
48 HB2 PHE 6 HB2 PHE 6 -7.806 6.618 13.594
49 HB3 PHE 6 HB1 PHE 6 -6.151 6.982 13.104
50 HD1 PHE 6 HD1 PHE 6 -9.520 7.186 12.145
51 HD2 PHE 6 HD2 PHE 6 -5.636 6.494 10.561
52 HE1 PHE 6 HE1 PHE 6 -10.319 7.819 9.911
53 HE2 PHE 6 HE2 PHE 6 -6.433 7.127 8.327
54 HZ PHE 6 HZ PHE 6 -8.775 7.788 8.002
55 H ARG 7 HN ARG 7 -7.515 4.326 15.225
56 HA ARG 7 HA ARG 7 -5.147 4.795 16.739
57 HB2 ARG 7 HB2 ARG 7 -7.429 4.705 17.717
58 HB3 ARG 7 HB1 ARG 7 -7.468 2.966 17.423
59 HG2 ARG 7 HG2 ARG 7 -5.456 2.695 18.856
60 HG3 ARG 7 HG1 ARG 7 -5.470 4.428 19.182
61 HD2 ARG 7 HD2 ARG 7 -7.780 2.563 19.794
62 HD3 ARG 7 HD1 ARG 7 -6.565 3.050 20.975
63 HE ARG 7 HE ARG 7 -7.599 5.411 19.857
64 HH11 ARG 7 HH11 ARG 7 -8.681 2.669 21.693
65 HH12 ARG 7 HH12 ARG 7 -9.934 3.534 22.512
66 HH21 ARG 7 HH21 ARG 7 -9.245 6.542 20.935
67 HH22 ARG 7 HH22 ARG 7 -10.253 5.732 22.081
68 H GLY 8 HN GLY 8 -6.497 1.819 15.315
69 HA2 GLY 8 HA2 GLY 8 -4.550 0.022 16.398
70 HA3 GLY 8 HA1 GLY 8 -5.567 -0.282 14.994
71 H ILE 9 HN ILE 9 -4.645 2.021 13.507
72 HA ILE 9 HA ILE 9 -2.384 0.858 12.169
73 HB ILE 9 HB ILE 9 -3.629 3.611 11.984
74 HG12 ILE 9 HG12 ILE 9 -3.668 1.305 10.017
75 HG13 ILE 9 HG11 ILE 9 -4.920 1.540 11.234
76 HG21 ILE 9 HG21 ILE 9 -1.272 2.378 10.575
77 HG22 ILE 9 HG22 ILE 9 -1.469 4.023 11.179
78 HG23 ILE 9 HG23 ILE 9 -2.304 3.518 9.711
79 HD11 ILE 9 HD11 ILE 9 -4.471 2.986 8.720
80 HD12 ILE 9 HD12 ILE 9 -4.698 4.056 10.103
81 HD13 ILE 9 HD13 ILE 9 -5.933 2.866 9.698
82 H VAL 10 HN VAL 10 -2.716 3.616 14.395
83 HA VAL 10 HA VAL 10 0.023 4.404 14.357
84 HB VAL 10 HB VAL 10 -2.085 4.768 16.507
85 HG11 VAL 10 HG11 VAL 10 -0.070 5.186 17.632
86 HG12 VAL 10 HG12 VAL 10 -0.478 6.782 17.005
87 HG13 VAL 10 HG13 VAL 10 0.728 5.793 16.182
88 HG21 VAL 10 HG21 VAL 10 -2.912 6.382 15.165
89 HG22 VAL 10 HG22 VAL 10 -1.779 5.890 13.908
90 HG23 VAL 10 HG23 VAL 10 -1.324 7.143 15.061
91 H HIS 11 HN HIS 11 -1.777 2.107 16.361
92 HA HIS 11 HA HIS 11 0.352 1.578 18.224
93 HB2 HIS 11 HB2 HIS 11 -2.249 0.296 17.520
94 HB3 HIS 11 HB1 HIS 11 -1.072 -0.672 18.410
95 HD2 HIS 11 HD2 HIS 11 -3.823 1.727 19.260
96 HE1 HIS 11 HE1 HIS 11 -1.059 2.139 22.425
97 HE2 HIS 11 HE2 HIS 11 -3.422 2.669 21.664
98 H VAL 12 HN VAL 12 -0.698 0.025 15.197
99 HA VAL 12 HA VAL 12 1.079 -2.188 15.252
100 HB VAL 12 HB VAL 12 -0.200 -0.664 12.977
101 HG11 VAL 12 HG11 VAL 12 1.738 -2.979 12.924
102 HG12 VAL 12 HG12 VAL 12 1.706 -1.540 11.903
103 HG13 VAL 12 HG13 VAL 12 0.509 -2.811 11.669
104 HG21 VAL 12 HG21 VAL 12 -0.728 -3.535 13.510
105 HG22 VAL 12 HG22 VAL 12 -1.855 -2.237 13.119
106 HG23 VAL 12 HG23 VAL 12 -1.265 -2.422 14.769
107 H GLY 13 HN GLY 13 1.481 1.052 13.763
108 HA2 GLY 13 HA2 GLY 13 4.147 0.594 12.811
109 HA3 GLY 13 HA1 GLY 13 3.384 2.166 13.019
110 H LYS 14 HN LYS 14 2.818 1.631 15.871
111 HA LYS 14 HA LYS 14 5.103 2.823 17.031
112 HB2 LYS 14 HB2 LYS 14 2.817 2.862 18.023
113 HB3 LYS 14 HB1 LYS 14 2.997 1.157 18.429
114 HG2 LYS 14 HG2 LYS 14 4.915 1.655 19.852
115 HG3 LYS 14 HG1 LYS 14 4.853 3.354 19.380
116 HD2 LYS 14 HD2 LYS 14 3.766 3.141 21.533
117 HD3 LYS 14 HD1 LYS 14 2.516 3.457 20.329
118 HE2 LYS 14 HE2 LYS 14 2.106 0.983 20.181
119 HE3 LYS 14 HE1 LYS 14 3.257 0.756 21.497
120 HZ1 LYS 14 HZ1 LYS 14 0.528 1.555 21.607
121 HZ2 LYS 14 HZ2 LYS 14 1.527 2.722 22.348
122 HZ3 LYS 14 HZ3 LYS 14 1.571 1.108 22.877
123 H THR 15 HN THR 15 4.161 -0.576 16.706
124 HA THR 15 HA THR 15 6.180 -1.663 18.417
125 HB THR 15 HB THR 15 5.638 -3.791 17.405
126 HG1 THR 15 HG1 THR 15 4.160 -2.337 15.454
127 HG21 THR 15 HG21 THR 15 3.849 -2.239 18.708
128 HG22 THR 15 HG22 THR 15 3.484 -3.877 18.167
129 HG23 THR 15 HG23 THR 15 2.975 -2.495 17.198
130 H ILE 16 HN ILE 16 6.045 -1.079 14.921
131 HA ILE 16 HA ILE 16 8.618 -2.190 14.324
132 HB ILE 16 HB ILE 16 6.936 -0.138 12.856
133 HG12 ILE 16 HG12 ILE 16 7.465 -3.041 12.166
134 HG13 ILE 16 HG11 ILE 16 6.113 -2.555 13.188
135 HG21 ILE 16 HG21 ILE 16 8.447 -0.944 10.902
136 HG22 ILE 16 HG22 ILE 16 9.552 -1.481 12.166
137 HG23 ILE 16 HG23 ILE 16 9.125 0.225 12.033
138 HD11 ILE 16 HD11 ILE 16 5.325 -2.707 10.894
139 HD12 ILE 16 HD12 ILE 16 6.633 -1.666 10.335
140 HD13 ILE 16 HD13 ILE 16 5.360 -1.008 11.362
141 H HIS 17 HN HIS 17 7.534 1.154 14.952
142 HA HIS 17 HA HIS 17 10.053 2.409 14.602
143 HB2 HIS 17 HB2 HIS 17 7.652 3.165 16.282
144 HB3 HIS 17 HB1 HIS 17 9.056 4.213 16.078
145 HD2 HIS 17 HD2 HIS 17 9.114 3.010 12.717
146 HE1 HIS 17 HE1 HIS 17 5.815 5.640 12.557
147 HE2 HIS 17 HE2 HIS 17 7.498 4.348 11.162
148 H ARG 18 HN ARG 18 8.545 0.966 17.476
149 HA ARG 18 HA ARG 18 10.595 1.743 19.322
150 HB2 ARG 18 HB2 ARG 18 8.403 1.069 20.133
151 HB3 ARG 18 HB1 ARG 18 8.602 -0.538 19.435
152 HG2 ARG 18 HG2 ARG 18 9.123 -0.724 21.787
153 HG3 ARG 18 HG1 ARG 18 10.649 -0.817 20.916
154 HD2 ARG 18 HD2 ARG 18 9.749 1.904 21.704
155 HD3 ARG 18 HD1 ARG 18 10.260 0.840 23.014
156 HE ARG 18 HE ARG 18 12.190 0.749 20.900
157 HH11 ARG 18 HH11 ARG 18 10.928 2.806 23.408
158 HH12 ARG 18 HH12 ARG 18 12.401 3.680 23.626
159 HH21 ARG 18 HH21 ARG 18 14.122 1.900 21.189
160 HH22 ARG 18 HH22 ARG 18 14.216 3.168 22.371
161 H LEU 19 HN LEU 19 10.073 -1.198 17.382
162 HA LEU 19 HA LEU 19 12.263 -2.687 18.434
163 HB2 LEU 19 HB2 LEU 19 10.457 -3.719 17.114
164 HB3 LEU 19 HB1 LEU 19 10.992 -2.836 15.684
165 HG LEU 19 HG LEU 19 13.226 -3.962 15.886
166 HD11 LEU 19 HD11 LEU 19 11.786 -5.311 18.172
167 HD12 LEU 19 HD12 LEU 19 13.377 -4.549 18.173
168 HD13 LEU 19 HD13 LEU 19 13.140 -6.092 17.354
169 HD21 LEU 19 HD21 LEU 19 12.324 -6.288 15.285
170 HD22 LEU 19 HD22 LEU 19 11.720 -4.942 14.320
171 HD23 LEU 19 HD23 LEU 19 10.718 -5.629 15.597
172 H VAL 20 HN VAL 20 12.026 -0.557 15.590
173 HA VAL 20 HA VAL 20 14.750 -0.936 14.750
174 HB VAL 20 HB VAL 20 12.716 1.221 14.146
175 HG11 VAL 20 HG11 VAL 20 15.566 0.851 13.226
176 HG12 VAL 20 HG12 VAL 20 14.761 2.328 13.756
177 HG13 VAL 20 HG13 VAL 20 14.379 1.634 12.181
178 HG21 VAL 20 HG21 VAL 20 13.853 -0.987 12.403
179 HG22 VAL 20 HG22 VAL 20 12.481 0.060 12.041
180 HG23 VAL 20 HG23 VAL 20 12.354 -1.150 13.318
181 H THR 21 HN THR 21 13.136 1.597 16.689
182 HA THR 21 HA THR 21 15.547 3.147 17.050
183 HB THR 21 HB THR 21 13.110 3.272 18.823
184 HG1 THR 21 HG1 THR 21 12.204 3.362 16.855
185 HG21 THR 21 HG21 THR 21 13.784 5.467 19.227
186 HG22 THR 21 HG22 THR 21 14.694 5.571 17.719
187 HG23 THR 21 HG23 THR 21 15.338 4.647 19.076
188 H GLY 22 HN GLY 22 17.220 2.666 18.357
189 HA2 GLY 22 HA2 GLY 22 16.802 0.714 20.539
190 HA3 GLY 22 HA1 GLY 22 18.350 1.216 19.866
191 HN1 NH2 23 H1 GLY 22 19.486 2.229 21.527
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 -15.686 4.479 14.567
2 H2 PHE 1 HT2 PHE 1 -15.247 3.318 15.732
3 H3 PHE 1 HT3 PHE 1 -16.770 3.238 14.973
4 HA PHE 1 HA PHE 1 -14.885 1.668 14.186
5 HB2 PHE 1 HB2 PHE 1 -16.623 3.320 12.315
6 HB3 PHE 1 HB1 PHE 1 -15.790 1.837 11.847
7 HD1 PHE 1 HD1 PHE 1 -16.306 -0.288 13.103
8 HD2 PHE 1 HD2 PHE 1 -18.665 3.229 13.493
9 HE1 PHE 1 HE1 PHE 1 -18.139 -1.622 14.046
10 HE2 PHE 1 HE2 PHE 1 -20.497 1.895 14.439
11 HZ PHE 1 HZ PHE 1 -20.234 -0.531 14.714
12 H PHE 2 HN PHE 2 -15.015 4.947 12.661
13 HA PHE 2 HA PHE 2 -12.560 4.657 11.270
14 HB2 PHE 2 HB2 PHE 2 -13.962 7.168 12.234
15 HB3 PHE 2 HB1 PHE 2 -12.636 7.133 11.071
16 HD1 PHE 2 HD1 PHE 2 -12.972 5.529 9.033
17 HD2 PHE 2 HD2 PHE 2 -16.139 7.022 11.446
18 HE1 PHE 2 HE1 PHE 2 -14.566 5.074 7.222
19 HE2 PHE 2 HE2 PHE 2 -17.734 6.566 9.636
20 HZ PHE 2 HZ PHE 2 -16.946 5.592 7.523
21 H HIS 3 HN HIS 3 -13.292 6.101 14.433
22 HA HIS 3 HA HIS 3 -10.690 7.033 15.059
23 HB2 HIS 3 HB2 HIS 3 -12.919 6.059 16.872
24 HB3 HIS 3 HB1 HIS 3 -11.488 6.929 17.424
25 HD2 HIS 3 HD2 HIS 3 -11.664 9.700 17.153
26 HE1 HIS 3 HE1 HIS 3 -15.196 9.794 14.841
27 HE2 HIS 3 HE2 HIS 3 -13.495 11.219 16.075
28 H HIS 4 HN HIS 4 -12.237 3.891 15.504
29 HA HIS 4 HA HIS 4 -10.165 2.672 17.062
30 HB2 HIS 4 HB2 HIS 4 -12.205 1.365 15.234
31 HB3 HIS 4 HB1 HIS 4 -11.325 0.590 16.553
32 HD2 HIS 4 HD2 HIS 4 -12.356 1.115 19.130
33 HE1 HIS 4 HE1 HIS 4 -15.499 3.649 17.892
34 HE2 HIS 4 HE2 HIS 4 -14.501 2.408 19.871
35 H ILE 5 HN ILE 5 -10.906 2.768 13.611
36 HA ILE 5 HA ILE 5 -8.848 0.991 12.732
37 HB ILE 5 HB ILE 5 -10.343 3.195 11.295
38 HG12 ILE 5 HG12 ILE 5 -10.553 0.187 10.996
39 HG13 ILE 5 HG11 ILE 5 -11.539 1.087 12.147
40 HG21 ILE 5 HG21 ILE 5 -9.484 1.763 9.257
41 HG22 ILE 5 HG22 ILE 5 -8.195 1.303 10.367
42 HG23 ILE 5 HG23 ILE 5 -8.439 3.000 9.953
43 HD11 ILE 5 HD11 ILE 5 -12.892 0.969 10.214
44 HD12 ILE 5 HD12 ILE 5 -11.533 1.277 9.135
45 HD13 ILE 5 HD13 ILE 5 -12.181 2.580 10.132
46 H PHE 6 HN PHE 6 -8.903 4.552 13.083
47 HA PHE 6 HA PHE 6 -6.256 4.933 12.009
48 HB2 PHE 6 HB2 PHE 6 -8.066 6.660 13.705
49 HB3 PHE 6 HB1 PHE 6 -6.458 7.183 13.206
50 HD1 PHE 6 HD1 PHE 6 -6.019 6.571 10.578
51 HD2 PHE 6 HD2 PHE 6 -9.779 7.431 12.366
52 HE1 PHE 6 HE1 PHE 6 -6.903 7.249 8.391
53 HE2 PHE 6 HE2 PHE 6 -10.664 8.112 10.178
54 HZ PHE 6 HZ PHE 6 -9.225 8.019 8.191
55 H ARG 7 HN ARG 7 -7.561 4.414 15.251
56 HA ARG 7 HA ARG 7 -5.174 4.958 16.716
57 HB2 ARG 7 HB2 ARG 7 -7.415 4.791 17.753
58 HB3 ARG 7 HB1 ARG 7 -7.432 3.060 17.420
59 HG2 ARG 7 HG2 ARG 7 -5.381 2.790 18.797
60 HG3 ARG 7 HG1 ARG 7 -5.410 4.515 19.158
61 HD2 ARG 7 HD2 ARG 7 -7.684 4.222 20.152
62 HD3 ARG 7 HD1 ARG 7 -7.543 2.486 19.889
63 HE ARG 7 HE ARG 7 -6.161 4.067 21.932
64 HH11 ARG 7 HH11 ARG 7 -6.298 1.125 20.095
65 HH12 ARG 7 HH12 ARG 7 -5.373 0.208 21.229
66 HH21 ARG 7 HH21 ARG 7 -4.945 2.864 23.415
67 HH22 ARG 7 HH22 ARG 7 -4.604 1.197 23.113
68 H GLY 8 HN GLY 8 -6.448 1.954 15.275
69 HA2 GLY 8 HA2 GLY 8 -4.454 0.193 16.305
70 HA3 GLY 8 HA1 GLY 8 -5.454 -0.094 14.887
71 H ILE 9 HN ILE 9 -4.565 2.268 13.462
72 HA ILE 9 HA ILE 9 -2.255 1.177 12.134
73 HB ILE 9 HB ILE 9 -3.574 3.901 11.963
74 HG12 ILE 9 HG12 ILE 9 -3.522 1.641 9.945
75 HG13 ILE 9 HG11 ILE 9 -4.781 1.777 11.171
76 HG21 ILE 9 HG21 ILE 9 -1.205 2.723 10.504
77 HG22 ILE 9 HG22 ILE 9 -1.368 4.324 11.228
78 HG23 ILE 9 HG23 ILE 9 -2.228 3.940 9.739
79 HD11 ILE 9 HD11 ILE 9 -4.524 4.349 10.008
80 HD12 ILE 9 HD12 ILE 9 -5.871 3.224 9.836
81 HD13 ILE 9 HD13 ILE 9 -4.546 3.197 8.672
82 H VAL 10 HN VAL 10 -2.727 3.887 14.376
83 HA VAL 10 HA VAL 10 -0.010 4.757 14.452
84 HB VAL 10 HB VAL 10 -2.253 5.053 16.471
85 HG11 VAL 10 HG11 VAL 10 0.566 6.103 16.397
86 HG12 VAL 10 HG12 VAL 10 -0.360 5.494 17.770
87 HG13 VAL 10 HG13 VAL 10 -0.714 7.088 17.105
88 HG21 VAL 10 HG21 VAL 10 -1.675 7.508 15.321
89 HG22 VAL 10 HG22 VAL 10 -3.013 6.457 14.863
90 HG23 VAL 10 HG23 VAL 10 -1.495 6.392 13.967
91 H HIS 11 HN HIS 11 -1.844 2.479 16.484
92 HA HIS 11 HA HIS 11 0.215 1.968 18.389
93 HB2 HIS 11 HB2 HIS 11 -2.149 1.342 18.732
94 HB3 HIS 11 HB1 HIS 11 -2.017 0.140 17.450
95 HD2 HIS 11 HD2 HIS 11 -0.943 -2.298 18.273
96 HE1 HIS 11 HE1 HIS 11 0.301 -1.084 22.121
97 HE2 HIS 11 HE2 HIS 11 0.064 -3.071 20.556
98 H VAL 12 HN VAL 12 -0.699 0.232 15.408
99 HA VAL 12 HA VAL 12 1.289 -1.791 15.558
100 HB VAL 12 HB VAL 12 -0.168 -0.570 13.206
101 HG11 VAL 12 HG11 VAL 12 1.751 -1.431 12.150
102 HG12 VAL 12 HG12 VAL 12 0.640 -2.797 12.102
103 HG13 VAL 12 HG13 VAL 12 1.918 -2.746 13.315
104 HG21 VAL 12 HG21 VAL 12 -0.414 -3.361 14.327
105 HG22 VAL 12 HG22 VAL 12 -1.583 -2.449 13.373
106 HG23 VAL 12 HG23 VAL 12 -1.294 -2.018 15.057
107 H GLY 13 HN GLY 13 1.356 1.387 13.911
108 HA2 GLY 13 HA2 GLY 13 3.982 1.140 12.817
109 HA3 GLY 13 HA1 GLY 13 3.128 2.651 13.109
110 H LYS 14 HN LYS 14 2.795 2.265 15.932
111 HA LYS 14 HA LYS 14 5.201 3.436 16.906
112 HB2 LYS 14 HB2 LYS 14 2.939 3.715 17.933
113 HB3 LYS 14 HB1 LYS 14 3.042 2.056 18.522
114 HG2 LYS 14 HG2 LYS 14 5.047 2.608 19.819
115 HG3 LYS 14 HG1 LYS 14 5.027 4.255 19.184
116 HD2 LYS 14 HD2 LYS 14 2.808 4.622 20.220
117 HD3 LYS 14 HD1 LYS 14 2.847 2.983 20.872
118 HE2 LYS 14 HE2 LYS 14 4.874 3.525 22.158
119 HE3 LYS 14 HE1 LYS 14 4.871 5.159 21.490
120 HZ1 LYS 14 HZ1 LYS 14 3.813 4.830 23.765
121 HZ2 LYS 14 HZ2 LYS 14 2.532 4.072 22.946
122 HZ3 LYS 14 HZ3 LYS 14 2.912 5.695 22.618
123 H THR 15 HN THR 15 4.019 0.087 16.934
124 HA THR 15 HA THR 15 6.061 -0.957 18.661
125 HB THR 15 HB THR 15 5.364 -3.153 17.858
126 HG1 THR 15 HG1 THR 15 3.963 -1.643 15.890
127 HG21 THR 15 HG21 THR 15 3.684 -1.229 19.044
128 HG22 THR 15 HG22 THR 15 3.506 -2.981 19.104
129 HG23 THR 15 HG23 THR 15 2.693 -2.056 17.843
130 H ILE 16 HN ILE 16 5.807 -0.550 15.159
131 HA ILE 16 HA ILE 16 8.163 -2.005 14.443
132 HB ILE 16 HB ILE 16 6.731 0.282 13.061
133 HG12 ILE 16 HG12 ILE 16 5.406 -1.800 13.356
134 HG13 ILE 16 HG11 ILE 16 5.782 -1.502 11.662
135 HG21 ILE 16 HG21 ILE 16 7.975 -0.886 11.034
136 HG22 ILE 16 HG22 ILE 16 9.120 -1.357 12.289
137 HG23 ILE 16 HG23 ILE 16 8.793 0.350 11.992
138 HD11 ILE 16 HD11 ILE 16 7.101 -3.498 13.521
139 HD12 ILE 16 HD12 ILE 16 7.780 -3.064 11.953
140 HD13 ILE 16 HD13 ILE 16 6.198 -3.831 12.046
141 H HIS 17 HN HIS 17 7.607 1.466 15.034
142 HA HIS 17 HA HIS 17 10.269 2.330 14.598
143 HB2 HIS 17 HB2 HIS 17 8.014 3.467 16.256
144 HB3 HIS 17 HB1 HIS 17 9.566 4.287 16.078
145 HD2 HIS 17 HD2 HIS 17 6.256 4.169 14.255
146 HE1 HIS 17 HE1 HIS 17 9.083 5.342 11.344
147 HE2 HIS 17 HE2 HIS 17 6.602 5.154 11.861
148 H ARG 18 HN ARG 18 8.660 1.161 17.542
149 HA ARG 18 HA ARG 18 10.823 1.731 19.327
150 HB2 ARG 18 HB2 ARG 18 8.562 1.339 20.153
151 HB3 ARG 18 HB1 ARG 18 8.588 -0.306 19.523
152 HG2 ARG 18 HG2 ARG 18 9.065 -0.395 21.903
153 HG3 ARG 18 HG1 ARG 18 10.544 -0.793 21.035
154 HD2 ARG 18 HD2 ARG 18 10.102 2.083 21.670
155 HD3 ARG 18 HD1 ARG 18 10.468 1.018 23.028
156 HE ARG 18 HE ARG 18 12.286 0.574 20.823
157 HH11 ARG 18 HH11 ARG 18 11.532 2.690 23.482
158 HH12 ARG 18 HH12 ARG 18 13.151 3.259 23.669
159 HH21 ARG 18 HH21 ARG 18 14.403 1.328 21.065
160 HH22 ARG 18 HH22 ARG 18 14.782 2.485 22.302
161 H LEU 19 HN LEU 19 9.922 -1.196 17.503
162 HA LEU 19 HA LEU 19 11.973 -2.869 18.559
163 HB2 LEU 19 HB2 LEU 19 9.969 -3.702 17.367
164 HB3 LEU 19 HB1 LEU 19 10.594 -3.028 15.864
165 HG LEU 19 HG LEU 19 12.634 -4.468 16.126
166 HD11 LEU 19 HD11 LEU 19 12.178 -6.457 17.766
167 HD12 LEU 19 HD12 LEU 19 11.093 -5.321 18.566
168 HD13 LEU 19 HD13 LEU 19 12.809 -4.945 18.414
169 HD21 LEU 19 HD21 LEU 19 10.219 -6.253 16.273
170 HD22 LEU 19 HD22 LEU 19 11.609 -6.351 15.193
171 HD23 LEU 19 HD23 LEU 19 10.380 -5.113 14.937
172 H VAL 20 HN VAL 20 11.855 -0.836 15.647
173 HA VAL 20 HA VAL 20 14.453 -1.573 14.669
174 HB VAL 20 HB VAL 20 12.686 0.825 14.133
175 HG11 VAL 20 HG11 VAL 20 14.771 1.650 13.484
176 HG12 VAL 20 HG12 VAL 20 14.240 0.853 12.005
177 HG13 VAL 20 HG13 VAL 20 15.392 0.051 13.073
178 HG21 VAL 20 HG21 VAL 20 11.760 -0.416 12.454
179 HG22 VAL 20 HG22 VAL 20 12.314 -1.784 13.418
180 HG23 VAL 20 HG23 VAL 20 13.283 -1.211 12.062
181 H THR 21 HN THR 21 13.283 1.175 16.618
182 HA THR 21 HA THR 21 15.856 2.462 16.800
183 HB THR 21 HB THR 21 13.523 2.827 18.684
184 HG1 THR 21 HG1 THR 21 12.583 3.058 16.745
185 HG21 THR 21 HG21 THR 21 15.235 4.184 19.454
186 HG22 THR 21 HG22 THR 21 14.474 5.267 18.290
187 HG23 THR 21 HG23 THR 21 15.938 4.391 17.851
188 H GLY 22 HN GLY 22 17.563 1.881 18.056
189 HA2 GLY 22 HA2 GLY 22 17.549 1.410 20.767
190 HA3 GLY 22 HA1 GLY 22 17.280 -0.182 20.065
191 HN1 NH2 23 H1 GLY 22 18.981 -0.932 18.436
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 -15.257 4.530 15.361
2 H2 PHE 1 HT2 PHE 1 -16.793 3.805 15.332
3 H3 PHE 1 HT3 PHE 1 -16.424 5.058 14.247
4 HA PHE 1 HA PHE 1 -15.423 2.271 14.254
5 HB2 PHE 1 HB2 PHE 1 -16.791 4.020 12.180
6 HB3 PHE 1 HB1 PHE 1 -16.217 2.377 11.886
7 HD1 PHE 1 HD1 PHE 1 -17.041 0.579 13.601
8 HD2 PHE 1 HD2 PHE 1 -18.957 4.321 12.961
9 HE1 PHE 1 HE1 PHE 1 -19.107 -0.310 14.586
10 HE2 PHE 1 HE2 PHE 1 -21.023 3.433 13.946
11 HZ PHE 1 HZ PHE 1 -21.097 1.117 14.758
12 H PHE 2 HN PHE 2 -14.980 5.420 12.568
13 HA PHE 2 HA PHE 2 -12.531 4.663 11.315
14 HB2 PHE 2 HB2 PHE 2 -13.655 7.407 11.944
15 HB3 PHE 2 HB1 PHE 2 -12.280 7.100 10.883
16 HD1 PHE 2 HD1 PHE 2 -15.840 7.237 11.121
17 HD2 PHE 2 HD2 PHE 2 -12.639 5.543 8.894
18 HE1 PHE 2 HE1 PHE 2 -17.375 6.785 9.259
19 HE2 PHE 2 HE2 PHE 2 -14.173 5.092 7.031
20 HZ PHE 2 HZ PHE 2 -16.541 5.713 7.214
21 H HIS 3 HN HIS 3 -13.208 6.331 14.378
22 HA HIS 3 HA HIS 3 -10.579 7.151 14.985
23 HB2 HIS 3 HB2 HIS 3 -12.664 7.846 16.187
24 HB3 HIS 3 HB1 HIS 3 -12.687 6.269 16.974
25 HD2 HIS 3 HD2 HIS 3 -10.416 9.510 16.942
26 HE1 HIS 3 HE1 HIS 3 -9.358 7.157 20.283
27 HE2 HIS 3 HE2 HIS 3 -8.966 9.375 19.110
28 H HIS 4 HN HIS 4 -12.191 4.038 15.626
29 HA HIS 4 HA HIS 4 -9.997 2.942 17.143
30 HB2 HIS 4 HB2 HIS 4 -12.327 2.101 17.322
31 HB3 HIS 4 HB1 HIS 4 -12.213 1.484 15.675
32 HD2 HIS 4 HD2 HIS 4 -11.568 -1.192 15.786
33 HE1 HIS 4 HE1 HIS 4 -9.105 -1.096 19.215
34 HE2 HIS 4 HE2 HIS 4 -10.076 -2.595 17.409
35 H ILE 5 HN ILE 5 -10.978 2.830 13.747
36 HA ILE 5 HA ILE 5 -9.064 0.918 12.860
37 HB ILE 5 HB ILE 5 -10.487 3.155 11.401
38 HG12 ILE 5 HG12 ILE 5 -10.885 0.158 11.228
39 HG13 ILE 5 HG11 ILE 5 -11.753 1.152 12.397
40 HG21 ILE 5 HG21 ILE 5 -8.558 1.047 10.426
41 HG22 ILE 5 HG22 ILE 5 -8.602 2.766 10.031
42 HG23 ILE 5 HG23 ILE 5 -9.816 1.677 9.365
43 HD11 ILE 5 HD11 ILE 5 -13.279 1.435 10.738
44 HD12 ILE 5 HD12 ILE 5 -12.152 0.898 9.493
45 HD13 ILE 5 HD13 ILE 5 -12.111 2.567 10.058
46 H PHE 6 HN PHE 6 -8.899 4.488 13.036
47 HA PHE 6 HA PHE 6 -6.246 4.635 11.893
48 HB2 PHE 6 HB2 PHE 6 -7.973 6.574 13.432
49 HB3 PHE 6 HB1 PHE 6 -6.315 6.975 12.984
50 HD1 PHE 6 HD1 PHE 6 -9.671 7.025 11.913
51 HD2 PHE 6 HD2 PHE 6 -5.701 6.520 10.478
52 HE1 PHE 6 HE1 PHE 6 -10.414 7.612 9.647
53 HE2 PHE 6 HE2 PHE 6 -6.444 7.106 8.213
54 HZ PHE 6 HZ PHE 6 -8.801 7.652 7.797
55 H ARG 7 HN ARG 7 -7.576 4.393 15.137
56 HA ARG 7 HA ARG 7 -5.230 4.905 16.644
57 HB2 ARG 7 HB2 ARG 7 -7.493 4.844 17.586
58 HB3 ARG 7 HB1 ARG 7 -7.589 3.114 17.273
59 HG2 ARG 7 HG2 ARG 7 -5.822 2.656 18.851
60 HG3 ARG 7 HG1 ARG 7 -5.460 4.375 19.024
61 HD2 ARG 7 HD2 ARG 7 -6.795 3.632 20.931
62 HD3 ARG 7 HD1 ARG 7 -7.740 4.738 19.936
63 HE ARG 7 HE ARG 7 -8.242 2.084 19.057
64 HH11 ARG 7 HH11 ARG 7 -8.757 4.166 21.788
65 HH12 ARG 7 HH12 ARG 7 -10.231 3.403 22.266
66 HH21 ARG 7 HH21 ARG 7 -10.179 1.092 19.669
67 HH22 ARG 7 HH22 ARG 7 -11.036 1.658 21.071
68 H GLY 8 HN GLY 8 -6.528 1.866 15.307
69 HA2 GLY 8 HA2 GLY 8 -4.558 0.116 16.416
70 HA3 GLY 8 HA1 GLY 8 -5.558 -0.218 15.006
71 H ILE 9 HN ILE 9 -4.644 2.079 13.512
72 HA ILE 9 HA ILE 9 -2.345 0.935 12.205
73 HB ILE 9 HB ILE 9 -3.649 3.659 11.964
74 HG12 ILE 9 HG12 ILE 9 -4.932 1.608 11.219
75 HG13 ILE 9 HG11 ILE 9 -4.626 2.783 9.944
76 HG21 ILE 9 HG21 ILE 9 -1.500 4.117 11.164
77 HG22 ILE 9 HG22 ILE 9 -2.321 3.573 9.701
78 HG23 ILE 9 HG23 ILE 9 -1.259 2.470 10.577
79 HD11 ILE 9 HD11 ILE 9 -2.542 0.690 10.265
80 HD12 ILE 9 HD12 ILE 9 -3.239 1.377 8.800
81 HD13 ILE 9 HD13 ILE 9 -4.110 0.128 9.686
82 H VAL 10 HN VAL 10 -2.799 3.696 14.376
83 HA VAL 10 HA VAL 10 -0.099 4.598 14.407
84 HB VAL 10 HB VAL 10 -2.305 4.887 16.463
85 HG11 VAL 10 HG11 VAL 10 -0.774 6.992 16.962
86 HG12 VAL 10 HG12 VAL 10 0.496 5.955 16.316
87 HG13 VAL 10 HG13 VAL 10 -0.431 5.441 17.727
88 HG21 VAL 10 HG21 VAL 10 -3.110 6.143 14.726
89 HG22 VAL 10 HG22 VAL 10 -1.531 6.273 13.954
90 HG23 VAL 10 HG23 VAL 10 -1.940 7.323 15.310
91 H HIS 11 HN HIS 11 -1.836 2.286 16.491
92 HA HIS 11 HA HIS 11 0.338 1.889 18.325
93 HB2 HIS 11 HB2 HIS 11 -2.117 0.274 17.649
94 HB3 HIS 11 HB1 HIS 11 -0.933 -0.287 18.829
95 HD2 HIS 11 HD2 HIS 11 -4.138 1.246 19.282
96 HE1 HIS 11 HE1 HIS 11 -1.738 3.596 21.841
97 HE2 HIS 11 HE2 HIS 11 -4.123 2.948 21.263
98 H VAL 12 HN VAL 12 -0.694 0.170 15.386
99 HA VAL 12 HA VAL 12 1.222 -1.933 15.513
100 HB VAL 12 HB VAL 12 -0.211 -0.649 13.178
101 HG11 VAL 12 HG11 VAL 12 1.795 -2.907 13.251
102 HG12 VAL 12 HG12 VAL 12 1.716 -1.544 12.133
103 HG13 VAL 12 HG13 VAL 12 0.537 -2.849 12.017
104 HG21 VAL 12 HG21 VAL 12 -0.658 -3.473 13.831
105 HG22 VAL 12 HG22 VAL 12 -1.831 -2.177 13.603
106 HG23 VAL 12 HG23 VAL 12 -1.055 -2.397 15.171
107 H GLY 13 HN GLY 13 1.381 1.264 13.918
108 HA2 GLY 13 HA2 GLY 13 4.013 0.971 12.833
109 HA3 GLY 13 HA1 GLY 13 3.192 2.497 13.148
110 H LYS 14 HN LYS 14 2.788 1.960 15.956
111 HA LYS 14 HA LYS 14 5.095 3.139 17.093
112 HB2 LYS 14 HB2 LYS 14 2.657 2.970 17.958
113 HB3 LYS 14 HB1 LYS 14 3.163 1.435 18.653
114 HG2 LYS 14 HG2 LYS 14 5.132 2.775 19.678
115 HG3 LYS 14 HG1 LYS 14 4.177 4.206 19.285
116 HD2 LYS 14 HD2 LYS 14 3.125 1.866 20.904
117 HD3 LYS 14 HD1 LYS 14 3.786 3.337 21.619
118 HE2 LYS 14 HE2 LYS 14 2.019 4.669 20.845
119 HE3 LYS 14 HE1 LYS 14 1.579 3.530 19.575
120 HZ1 LYS 14 HZ1 LYS 14 0.637 3.669 22.243
121 HZ2 LYS 14 HZ2 LYS 14 1.341 2.151 21.959
122 HZ3 LYS 14 HZ3 LYS 14 0.068 2.701 20.959
123 H THR 15 HN THR 15 4.069 -0.254 16.853
124 HA THR 15 HA THR 15 6.120 -1.353 18.525
125 HB THR 15 HB THR 15 5.494 -3.501 17.560
126 HG1 THR 15 HG1 THR 15 4.041 -1.924 15.678
127 HG21 THR 15 HG21 THR 15 2.855 -2.134 17.599
128 HG22 THR 15 HG22 THR 15 3.871 -1.932 19.026
129 HG23 THR 15 HG23 THR 15 3.408 -3.548 18.495
130 H ILE 16 HN ILE 16 5.889 -0.789 15.034
131 HA ILE 16 HA ILE 16 8.361 -2.059 14.334
132 HB ILE 16 HB ILE 16 6.752 0.110 12.957
133 HG12 ILE 16 HG12 ILE 16 7.094 -2.813 12.237
134 HG13 ILE 16 HG11 ILE 16 5.800 -2.250 13.294
135 HG21 ILE 16 HG21 ILE 16 9.331 -1.248 12.242
136 HG22 ILE 16 HG22 ILE 16 8.815 0.409 11.924
137 HG23 ILE 16 HG23 ILE 16 8.175 -0.915 10.953
138 HD11 ILE 16 HD11 ILE 16 5.740 -2.322 10.495
139 HD12 ILE 16 HD12 ILE 16 5.982 -0.619 10.886
140 HD13 ILE 16 HD13 ILE 16 4.596 -1.486 11.545
141 H HIS 17 HN HIS 17 7.509 1.331 15.015
142 HA HIS 17 HA HIS 17 10.066 2.461 14.614
143 HB2 HIS 17 HB2 HIS 17 7.849 3.671 14.930
144 HB3 HIS 17 HB1 HIS 17 8.058 3.424 16.663
145 HD2 HIS 17 HD2 HIS 17 9.776 5.264 17.871
146 HE1 HIS 17 HE1 HIS 17 11.347 6.955 14.336
147 HE2 HIS 17 HE2 HIS 17 11.310 7.125 16.869
148 H ARG 18 HN ARG 18 8.610 1.027 17.512
149 HA ARG 18 HA ARG 18 10.746 1.687 19.300
150 HB2 ARG 18 HB2 ARG 18 8.327 0.878 19.825
151 HB3 ARG 18 HB1 ARG 18 9.008 -0.742 19.667
152 HG2 ARG 18 HG2 ARG 18 10.594 1.158 21.308
153 HG3 ARG 18 HG1 ARG 18 9.043 0.674 21.992
154 HD2 ARG 18 HD2 ARG 18 9.632 -1.657 21.876
155 HD3 ARG 18 HD1 ARG 18 11.080 -1.308 20.938
156 HE ARG 18 HE ARG 18 10.733 -0.954 23.830
157 HH11 ARG 18 HH11 ARG 18 12.592 -0.286 20.966
158 HH12 ARG 18 HH12 ARG 18 14.036 0.102 21.838
159 HH21 ARG 18 HH21 ARG 18 12.626 -0.436 24.957
160 HH22 ARG 18 HH22 ARG 18 14.055 0.016 24.099
161 H LEU 19 HN LEU 19 10.071 -1.199 17.326
162 HA LEU 19 HA LEU 19 12.177 -2.814 18.323
163 HB2 LEU 19 HB2 LEU 19 10.596 -2.784 15.770
164 HB3 LEU 19 HB1 LEU 19 11.912 -3.936 15.995
165 HG LEU 19 HG LEU 19 9.698 -3.600 18.031
166 HD11 LEU 19 HD11 LEU 19 9.536 -6.011 16.419
167 HD12 LEU 19 HD12 LEU 19 9.387 -4.571 15.411
168 HD13 LEU 19 HD13 LEU 19 8.283 -4.818 16.763
169 HD21 LEU 19 HD21 LEU 19 11.971 -5.496 17.540
170 HD22 LEU 19 HD22 LEU 19 10.510 -6.114 18.308
171 HD23 LEU 19 HD23 LEU 19 11.410 -4.798 19.059
172 H VAL 20 HN VAL 20 12.131 -0.586 15.535
173 HA VAL 20 HA VAL 20 14.844 -1.229 14.758
174 HB VAL 20 HB VAL 20 14.667 0.742 13.257
175 HG11 VAL 20 HG11 VAL 20 12.206 -1.030 13.211
176 HG12 VAL 20 HG12 VAL 20 13.801 -1.524 12.639
177 HG13 VAL 20 HG13 VAL 20 12.942 -0.210 11.835
178 HG21 VAL 20 HG21 VAL 20 12.261 1.706 13.126
179 HG22 VAL 20 HG22 VAL 20 13.316 2.312 14.402
180 HG23 VAL 20 HG23 VAL 20 12.081 1.112 14.773
181 H THR 21 HN THR 21 13.376 1.342 16.731
182 HA THR 21 HA THR 21 15.840 2.811 17.046
183 HB THR 21 HB THR 21 14.502 3.883 18.970
184 HG1 THR 21 HG1 THR 21 12.308 2.648 17.695
185 HG21 THR 21 HG21 THR 21 13.486 3.888 16.117
186 HG22 THR 21 HG22 THR 21 14.697 4.966 16.813
187 HG23 THR 21 HG23 THR 21 13.017 5.069 17.338
188 H GLY 22 HN GLY 22 17.559 2.197 18.241
189 HA2 GLY 22 HA2 GLY 22 17.726 1.727 20.892
190 HA3 GLY 22 HA1 GLY 22 17.222 0.146 20.305
191 HN1 NH2 23 H1 GLY 22 18.675 -0.213 17.986
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 -15.865 4.157 14.770
2 H2 PHE 1 HT2 PHE 1 -15.192 3.215 16.019
3 H3 PHE 1 HT3 PHE 1 -16.774 2.906 15.469
4 HA PHE 1 HA PHE 1 -14.949 1.344 14.669
5 HB2 PHE 1 HB2 PHE 1 -16.763 2.783 12.699
6 HB3 PHE 1 HB1 PHE 1 -15.982 1.229 12.402
7 HD1 PHE 1 HD1 PHE 1 -18.864 2.812 13.701
8 HD2 PHE 1 HD2 PHE 1 -16.379 -0.601 14.211
9 HE1 PHE 1 HE1 PHE 1 -20.679 1.668 14.893
10 HE2 PHE 1 HE2 PHE 1 -18.195 -1.745 15.404
11 HZ PHE 1 HZ PHE 1 -20.345 -0.611 15.744
12 H PHE 2 HN PHE 2 -15.198 4.458 12.852
13 HA PHE 2 HA PHE 2 -12.800 4.052 11.381
14 HB2 PHE 2 HB2 PHE 2 -14.244 6.614 12.115
15 HB3 PHE 2 HB1 PHE 2 -12.943 6.500 10.929
16 HD1 PHE 2 HD1 PHE 2 -16.439 6.257 11.432
17 HD2 PHE 2 HD2 PHE 2 -13.260 4.740 9.048
18 HE1 PHE 2 HE1 PHE 2 -18.055 5.558 9.721
19 HE2 PHE 2 HE2 PHE 2 -14.877 4.043 7.337
20 HZ PHE 2 HZ PHE 2 -17.273 4.452 7.673
21 H HIS 3 HN HIS 3 -13.448 5.748 14.427
22 HA HIS 3 HA HIS 3 -10.871 6.855 14.836
23 HB2 HIS 3 HB2 HIS 3 -12.837 5.889 16.933
24 HB3 HIS 3 HB1 HIS 3 -11.537 7.054 17.175
25 HD2 HIS 3 HD2 HIS 3 -12.152 9.676 16.362
26 HE1 HIS 3 HE1 HIS 3 -15.975 8.823 14.781
27 HE2 HIS 3 HE2 HIS 3 -14.356 10.684 15.387
28 H HIS 4 HN HIS 4 -12.208 3.675 15.547
29 HA HIS 4 HA HIS 4 -10.004 2.700 17.109
30 HB2 HIS 4 HB2 HIS 4 -12.052 1.150 15.492
31 HB3 HIS 4 HB1 HIS 4 -11.047 0.516 16.797
32 HD2 HIS 4 HD2 HIS 4 -11.813 1.389 19.420
33 HE1 HIS 4 HE1 HIS 4 -15.413 3.225 18.197
34 HE2 HIS 4 HE2 HIS 4 -14.055 2.473 20.207
35 H ILE 5 HN ILE 5 -10.859 2.604 13.694
36 HA ILE 5 HA ILE 5 -8.788 0.849 12.806
37 HB ILE 5 HB ILE 5 -10.345 3.003 11.355
38 HG12 ILE 5 HG12 ILE 5 -10.544 -0.014 11.144
39 HG13 ILE 5 HG11 ILE 5 -11.502 0.913 12.296
40 HG21 ILE 5 HG21 ILE 5 -9.544 1.604 9.316
41 HG22 ILE 5 HG22 ILE 5 -8.268 1.033 10.391
42 HG23 ILE 5 HG23 ILE 5 -8.410 2.754 10.022
43 HD11 ILE 5 HD11 ILE 5 -11.746 0.742 9.345
44 HD12 ILE 5 HD12 ILE 5 -11.970 2.348 10.040
45 HD13 ILE 5 HD13 ILE 5 -12.990 1.010 10.565
46 H PHE 6 HN PHE 6 -8.924 4.405 13.102
47 HA PHE 6 HA PHE 6 -6.321 4.863 11.965
48 HB2 PHE 6 HB2 PHE 6 -8.160 6.522 13.688
49 HB3 PHE 6 HB1 PHE 6 -6.560 7.097 13.220
50 HD1 PHE 6 HD1 PHE 6 -9.956 6.811 12.227
51 HD2 PHE 6 HD2 PHE 6 -5.991 6.985 10.702
52 HE1 PHE 6 HE1 PHE 6 -10.829 7.483 10.033
53 HE2 PHE 6 HE2 PHE 6 -6.863 7.655 8.507
54 HZ PHE 6 HZ PHE 6 -9.284 7.905 8.172
55 H ARG 7 HN ARG 7 -7.518 4.287 15.232
56 HA ARG 7 HA ARG 7 -5.092 4.885 16.620
57 HB2 ARG 7 HB2 ARG 7 -7.656 3.603 17.257
58 HB3 ARG 7 HB1 ARG 7 -6.299 2.961 18.178
59 HG2 ARG 7 HG2 ARG 7 -6.845 5.931 17.899
60 HG3 ARG 7 HG1 ARG 7 -7.466 4.959 19.234
61 HD2 ARG 7 HD2 ARG 7 -4.552 5.377 18.505
62 HD3 ARG 7 HD1 ARG 7 -5.374 6.021 19.923
63 HE ARG 7 HE ARG 7 -5.767 3.450 20.392
64 HH11 ARG 7 HH11 ARG 7 -2.946 4.979 19.065
65 HH12 ARG 7 HH12 ARG 7 -1.853 3.777 19.658
66 HH21 ARG 7 HH21 ARG 7 -4.331 1.884 21.163
67 HH22 ARG 7 HH22 ARG 7 -2.630 2.017 20.837
68 H GLY 8 HN GLY 8 -6.319 1.892 15.147
69 HA2 GLY 8 HA2 GLY 8 -4.273 0.163 16.136
70 HA3 GLY 8 HA1 GLY 8 -5.272 -0.125 14.717
71 H ILE 9 HN ILE 9 -4.490 2.280 13.329
72 HA ILE 9 HA ILE 9 -2.121 1.315 11.994
73 HB ILE 9 HB ILE 9 -3.593 3.957 11.812
74 HG12 ILE 9 HG12 ILE 9 -4.853 1.979 11.024
75 HG13 ILE 9 HG11 ILE 9 -4.415 3.027 9.679
76 HG21 ILE 9 HG21 ILE 9 -1.470 4.536 11.024
77 HG22 ILE 9 HG22 ILE 9 -2.273 3.996 9.550
78 HG23 ILE 9 HG23 ILE 9 -1.153 2.922 10.388
79 HD11 ILE 9 HD11 ILE 9 -2.372 1.526 9.344
80 HD12 ILE 9 HD12 ILE 9 -3.927 0.791 8.965
81 HD13 ILE 9 HD13 ILE 9 -3.121 0.409 10.485
82 H VAL 10 HN VAL 10 -2.768 3.998 14.221
83 HA VAL 10 HA VAL 10 -0.117 5.047 14.282
84 HB VAL 10 HB VAL 10 -2.366 5.208 16.307
85 HG11 VAL 10 HG11 VAL 10 -1.026 7.259 17.065
86 HG12 VAL 10 HG12 VAL 10 0.329 6.581 16.165
87 HG13 VAL 10 HG13 VAL 10 -0.363 5.690 17.521
88 HG21 VAL 10 HG21 VAL 10 -1.337 7.157 14.215
89 HG22 VAL 10 HG22 VAL 10 -2.664 7.457 15.337
90 HG23 VAL 10 HG23 VAL 10 -2.825 6.221 14.093
91 H HIS 11 HN HIS 11 -1.777 2.655 16.330
92 HA HIS 11 HA HIS 11 0.358 2.306 18.202
93 HB2 HIS 11 HB2 HIS 11 -2.193 1.497 18.166
94 HB3 HIS 11 HB1 HIS 11 -1.450 0.016 17.562
95 HD2 HIS 11 HD2 HIS 11 0.252 -1.310 19.443
96 HE1 HIS 11 HE1 HIS 11 -0.702 1.200 22.702
97 HE2 HIS 11 HE2 HIS 11 0.462 -0.952 22.021
98 H VAL 12 HN VAL 12 -0.535 0.580 15.227
99 HA VAL 12 HA VAL 12 1.517 -1.397 15.325
100 HB VAL 12 HB VAL 12 -0.053 -0.204 13.032
101 HG11 VAL 12 HG11 VAL 12 1.890 -0.929 11.915
102 HG12 VAL 12 HG12 VAL 12 0.844 -2.346 11.842
103 HG13 VAL 12 HG13 VAL 12 2.146 -2.271 13.030
104 HG21 VAL 12 HG21 VAL 12 -0.922 -1.847 14.950
105 HG22 VAL 12 HG22 VAL 12 -0.152 -3.060 13.927
106 HG23 VAL 12 HG23 VAL 12 -1.438 -2.044 13.276
107 H GLY 13 HN GLY 13 1.427 1.831 13.792
108 HA2 GLY 13 HA2 GLY 13 4.034 1.686 12.629
109 HA3 GLY 13 HA1 GLY 13 3.135 3.161 12.956
110 H LYS 14 HN LYS 14 2.879 3.004 15.731
111 HA LYS 14 HA LYS 14 5.404 4.031 16.584
112 HB2 LYS 14 HB2 LYS 14 3.013 4.459 17.535
113 HB3 LYS 14 HB1 LYS 14 3.343 3.045 18.538
114 HG2 LYS 14 HG2 LYS 14 4.116 4.859 19.848
115 HG3 LYS 14 HG1 LYS 14 5.585 4.223 19.107
116 HD2 LYS 14 HD2 LYS 14 4.372 6.127 17.315
117 HD3 LYS 14 HD1 LYS 14 4.541 6.866 18.907
118 HE2 LYS 14 HE2 LYS 14 6.825 6.866 18.813
119 HE3 LYS 14 HE1 LYS 14 6.889 5.304 17.994
120 HZ1 LYS 14 HZ1 LYS 14 5.738 7.444 16.425
121 HZ2 LYS 14 HZ2 LYS 14 6.875 6.251 15.973
122 HZ3 LYS 14 HZ3 LYS 14 7.380 7.659 16.800
123 H THR 15 HN THR 15 3.876 0.855 16.974
124 HA THR 15 HA THR 15 5.798 -0.222 18.793
125 HB THR 15 HB THR 15 4.907 -2.440 17.567
126 HG1 THR 15 HG1 THR 15 2.820 -0.568 17.153
127 HG21 THR 15 HG21 THR 15 4.469 -1.986 19.877
128 HG22 THR 15 HG22 THR 15 2.903 -2.257 19.113
129 HG23 THR 15 HG23 THR 15 3.436 -0.615 19.475
130 H ILE 16 HN ILE 16 5.673 0.035 15.300
131 HA ILE 16 HA ILE 16 7.895 -1.704 14.713
132 HB ILE 16 HB ILE 16 6.696 0.609 13.166
133 HG12 ILE 16 HG12 ILE 16 6.627 -2.359 12.573
134 HG13 ILE 16 HG11 ILE 16 5.404 -1.580 13.574
135 HG21 ILE 16 HG21 ILE 16 8.849 0.538 12.267
136 HG22 ILE 16 HG22 ILE 16 8.016 -0.644 11.260
137 HG23 ILE 16 HG23 ILE 16 9.039 -1.185 12.590
138 HD11 ILE 16 HD11 ILE 16 4.409 -0.585 11.791
139 HD12 ILE 16 HD12 ILE 16 5.277 -1.786 10.838
140 HD13 ILE 16 HD13 ILE 16 5.951 -0.170 11.043
141 H HIS 17 HN HIS 17 7.621 1.792 15.279
142 HA HIS 17 HA HIS 17 10.308 2.537 14.868
143 HB2 HIS 17 HB2 HIS 17 8.335 3.686 16.866
144 HB3 HIS 17 HB1 HIS 17 9.795 4.483 16.284
145 HD2 HIS 17 HD2 HIS 17 9.028 3.321 13.055
146 HE1 HIS 17 HE1 HIS 17 5.938 6.159 13.519
147 HE2 HIS 17 HE2 HIS 17 7.211 4.745 11.836
148 H ARG 18 HN ARG 18 8.725 1.250 17.771
149 HA ARG 18 HA ARG 18 11.023 1.553 19.489
150 HB2 ARG 18 HB2 ARG 18 8.509 -0.104 19.704
151 HB3 ARG 18 HB1 ARG 18 9.765 -0.112 20.943
152 HG2 ARG 18 HG2 ARG 18 9.542 2.347 21.169
153 HG3 ARG 18 HG1 ARG 18 8.260 2.335 19.958
154 HD2 ARG 18 HD2 ARG 18 6.904 0.860 21.384
155 HD3 ARG 18 HD1 ARG 18 8.182 0.832 22.593
156 HE ARG 18 HE ARG 18 6.319 3.029 22.059
157 HH11 ARG 18 HH11 ARG 18 9.308 1.993 23.490
158 HH12 ARG 18 HH12 ARG 18 9.392 3.310 24.605
159 HH21 ARG 18 HH21 ARG 18 6.437 4.759 23.516
160 HH22 ARG 18 HH22 ARG 18 7.762 4.881 24.618
161 H LEU 19 HN LEU 19 9.769 -1.093 17.489
162 HA LEU 19 HA LEU 19 11.567 -3.110 18.398
163 HB2 LEU 19 HB2 LEU 19 9.508 -3.604 17.166
164 HB3 LEU 19 HB1 LEU 19 10.160 -2.818 15.731
165 HG LEU 19 HG LEU 19 12.060 -4.486 15.780
166 HD11 LEU 19 HD11 LEU 19 10.438 -5.425 18.119
167 HD12 LEU 19 HD12 LEU 19 12.191 -5.369 17.923
168 HD13 LEU 19 HD13 LEU 19 11.253 -6.631 17.123
169 HD21 LEU 19 HD21 LEU 19 10.760 -6.249 14.762
170 HD22 LEU 19 HD22 LEU 19 9.972 -4.720 14.375
171 HD23 LEU 19 HD23 LEU 19 9.312 -5.757 15.639
172 H VAL 20 HN VAL 20 11.790 -0.876 15.612
173 HA VAL 20 HA VAL 20 14.328 -1.949 14.729
174 HB VAL 20 HB VAL 20 14.413 0.004 13.221
175 HG11 VAL 20 HG11 VAL 20 12.434 -0.559 11.924
176 HG12 VAL 20 HG12 VAL 20 11.652 -1.245 13.348
177 HG13 VAL 20 HG13 VAL 20 13.074 -2.028 12.661
178 HG21 VAL 20 HG21 VAL 20 12.235 1.433 13.260
179 HG22 VAL 20 HG22 VAL 20 13.499 1.810 14.431
180 HG23 VAL 20 HG23 VAL 20 12.085 0.881 14.926
181 H THR 21 HN THR 21 13.379 0.799 16.751
182 HA THR 21 HA THR 21 16.028 1.909 16.976
183 HB THR 21 HB THR 21 13.713 2.285 18.881
184 HG1 THR 21 HG1 THR 21 12.815 2.819 17.005
185 HG21 THR 21 HG21 THR 21 15.661 3.320 19.743
186 HG22 THR 21 HG22 THR 21 14.789 4.618 18.926
187 HG23 THR 21 HG23 THR 21 16.179 3.865 18.146
188 H GLY 22 HN GLY 22 17.705 1.096 18.130
189 HA2 GLY 22 HA2 GLY 22 17.459 0.306 20.854
190 HA3 GLY 22 HA1 GLY 22 17.522 -1.129 19.834
191 HN1 NH2 23 H1 GLY 22 19.645 -1.492 21.056
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 -16.448 2.196 15.351
2 H2 PHE 1 HT2 PHE 1 -16.627 3.362 14.128
3 H3 PHE 1 HT3 PHE 1 -15.260 3.388 15.138
4 HA PHE 1 HA PHE 1 -14.877 1.001 14.214
5 HB2 PHE 1 HB2 PHE 1 -17.093 1.057 13.012
6 HB3 PHE 1 HB1 PHE 1 -16.436 2.308 11.957
7 HD1 PHE 1 HD1 PHE 1 -15.439 1.619 9.978
8 HD2 PHE 1 HD2 PHE 1 -15.528 -1.061 13.279
9 HE1 PHE 1 HE1 PHE 1 -14.399 -0.121 8.593
10 HE2 PHE 1 HE2 PHE 1 -14.488 -2.801 11.894
11 HZ PHE 1 HZ PHE 1 -13.924 -2.331 9.551
12 H PHE 2 HN PHE 2 -15.161 4.136 12.455
13 HA PHE 2 HA PHE 2 -12.638 3.962 11.175
14 HB2 PHE 2 HB2 PHE 2 -14.518 5.508 10.551
15 HB3 PHE 2 HB1 PHE 2 -14.098 6.500 11.945
16 HD1 PHE 2 HD1 PHE 2 -12.526 4.919 8.962
17 HD2 PHE 2 HD2 PHE 2 -12.535 8.203 11.662
18 HE1 PHE 2 HE1 PHE 2 -10.783 6.019 7.628
19 HE2 PHE 2 HE2 PHE 2 -10.792 9.305 10.328
20 HZ PHE 2 HZ PHE 2 -9.916 8.213 8.312
21 H HIS 3 HN HIS 3 -13.569 5.513 14.249
22 HA HIS 3 HA HIS 3 -11.099 6.740 14.840
23 HB2 HIS 3 HB2 HIS 3 -13.325 5.703 16.594
24 HB3 HIS 3 HB1 HIS 3 -11.896 6.477 17.272
25 HD2 HIS 3 HD2 HIS 3 -15.250 7.507 15.758
26 HE1 HIS 3 HE1 HIS 3 -12.822 10.960 15.679
27 HE2 HIS 3 HE2 HIS 3 -15.192 10.092 15.394
28 H HIS 4 HN HIS 4 -12.202 3.423 15.510
29 HA HIS 4 HA HIS 4 -9.935 2.668 17.100
30 HB2 HIS 4 HB2 HIS 4 -12.132 1.455 17.046
31 HB3 HIS 4 HB1 HIS 4 -11.712 0.861 15.440
32 HD2 HIS 4 HD2 HIS 4 -10.613 -1.650 15.698
33 HE1 HIS 4 HE1 HIS 4 -8.608 -1.071 19.369
34 HE2 HIS 4 HE2 HIS 4 -9.079 -2.738 17.511
35 H ILE 5 HN ILE 5 -10.680 2.483 13.663
36 HA ILE 5 HA ILE 5 -8.399 0.975 12.842
37 HB ILE 5 HB ILE 5 -10.122 2.967 11.346
38 HG12 ILE 5 HG12 ILE 5 -9.989 -0.050 11.102
39 HG13 ILE 5 HG11 ILE 5 -11.079 0.752 12.230
40 HG21 ILE 5 HG21 ILE 5 -8.102 2.933 10.102
41 HG22 ILE 5 HG22 ILE 5 -9.105 1.710 9.324
42 HG23 ILE 5 HG23 ILE 5 -7.826 1.223 10.435
43 HD11 ILE 5 HD11 ILE 5 -11.151 1.846 9.487
44 HD12 ILE 5 HD12 ILE 5 -12.477 1.452 10.579
45 HD13 ILE 5 HD13 ILE 5 -11.711 0.179 9.629
46 H PHE 6 HN PHE 6 -8.930 4.493 13.148
47 HA PHE 6 HA PHE 6 -6.394 5.288 12.083
48 HB2 PHE 6 HB2 PHE 6 -8.379 6.791 12.361
49 HB3 PHE 6 HB1 PHE 6 -8.114 6.758 14.102
50 HD1 PHE 6 HD1 PHE 6 -6.469 7.592 10.881
51 HD2 PHE 6 HD2 PHE 6 -6.529 8.183 15.091
52 HE1 PHE 6 HE1 PHE 6 -4.783 9.363 10.656
53 HE2 PHE 6 HE2 PHE 6 -4.844 9.955 14.867
54 HZ PHE 6 HZ PHE 6 -3.971 10.544 12.649
55 H ARG 7 HN ARG 7 -7.538 4.670 15.379
56 HA ARG 7 HA ARG 7 -5.099 5.373 16.717
57 HB2 ARG 7 HB2 ARG 7 -7.622 3.996 17.450
58 HB3 ARG 7 HB1 ARG 7 -6.220 3.622 18.451
59 HG2 ARG 7 HG2 ARG 7 -7.010 5.509 19.550
60 HG3 ARG 7 HG1 ARG 7 -5.895 6.259 18.409
61 HD2 ARG 7 HD2 ARG 7 -7.772 6.635 16.841
62 HD3 ARG 7 HD1 ARG 7 -8.880 5.914 18.009
63 HE ARG 7 HE ARG 7 -7.463 8.019 19.282
64 HH11 ARG 7 HH11 ARG 7 -9.809 7.471 16.786
65 HH12 ARG 7 HH12 ARG 7 -10.619 8.984 17.011
66 HH21 ARG 7 HH21 ARG 7 -8.517 10.002 19.579
67 HH22 ARG 7 HH22 ARG 7 -9.873 10.424 18.594
68 H GLY 8 HN GLY 8 -6.313 2.322 15.371
69 HA2 GLY 8 HA2 GLY 8 -4.297 0.605 16.431
70 HA3 GLY 8 HA1 GLY 8 -5.277 0.288 15.006
71 H ILE 9 HN ILE 9 -4.397 2.670 13.579
72 HA ILE 9 HA ILE 9 -2.070 1.599 12.266
73 HB ILE 9 HB ILE 9 -3.399 4.318 12.107
74 HG12 ILE 9 HG12 ILE 9 -3.304 2.083 10.063
75 HG13 ILE 9 HG11 ILE 9 -4.573 2.185 11.282
76 HG21 ILE 9 HG21 ILE 9 -2.002 4.231 9.839
77 HG22 ILE 9 HG22 ILE 9 -0.929 3.221 10.806
78 HG23 ILE 9 HG23 ILE 9 -1.289 4.871 11.318
79 HD11 ILE 9 HD11 ILE 9 -4.351 3.628 8.802
80 HD12 ILE 9 HD12 ILE 9 -4.339 4.775 10.143
81 HD13 ILE 9 HD13 ILE 9 -5.676 3.637 9.967
82 H VAL 10 HN VAL 10 -2.564 4.264 14.545
83 HA VAL 10 HA VAL 10 0.115 5.203 14.641
84 HB VAL 10 HB VAL 10 -2.098 5.312 16.710
85 HG11 VAL 10 HG11 VAL 10 -0.600 7.403 17.363
86 HG12 VAL 10 HG12 VAL 10 0.687 6.429 16.654
87 HG13 VAL 10 HG13 VAL 10 -0.240 5.806 18.018
88 HG21 VAL 10 HG21 VAL 10 -2.003 7.776 15.817
89 HG22 VAL 10 HG22 VAL 10 -2.829 6.551 14.856
90 HG23 VAL 10 HG23 VAL 10 -1.195 7.055 14.425
91 H HIS 11 HN HIS 11 -1.581 2.747 16.583
92 HA HIS 11 HA HIS 11 0.630 2.237 18.359
93 HB2 HIS 11 HB2 HIS 11 -1.865 0.696 17.667
94 HB3 HIS 11 HB1 HIS 11 -0.642 0.037 18.752
95 HD2 HIS 11 HD2 HIS 11 -3.762 2.034 19.157
96 HE1 HIS 11 HE1 HIS 11 -1.263 3.357 22.294
97 HE2 HIS 11 HE2 HIS 11 -3.645 3.344 21.414
98 H VAL 12 HN VAL 12 -0.448 0.754 15.310
99 HA VAL 12 HA VAL 12 1.443 -1.387 15.285
100 HB VAL 12 HB VAL 12 -0.010 0.066 13.061
101 HG11 VAL 12 HG11 VAL 12 0.693 -2.148 11.813
102 HG12 VAL 12 HG12 VAL 12 2.031 -2.143 12.962
103 HG13 VAL 12 HG13 VAL 12 1.809 -0.782 11.862
104 HG21 VAL 12 HG21 VAL 12 -0.793 -1.850 14.958
105 HG22 VAL 12 HG22 VAL 12 -0.535 -2.769 13.476
106 HG23 VAL 12 HG23 VAL 12 -1.664 -1.415 13.489
107 H GLY 13 HN GLY 13 1.585 1.903 13.861
108 HA2 GLY 13 HA2 GLY 13 4.216 1.650 12.763
109 HA3 GLY 13 HA1 GLY 13 3.389 3.161 13.126
110 H LYS 14 HN LYS 14 3.003 2.807 15.884
111 HA LYS 14 HA LYS 14 5.447 3.760 16.976
112 HB2 LYS 14 HB2 LYS 14 3.188 4.220 17.891
113 HB3 LYS 14 HB1 LYS 14 3.051 2.531 18.368
114 HG2 LYS 14 HG2 LYS 14 4.970 2.779 19.885
115 HG3 LYS 14 HG1 LYS 14 5.178 4.456 19.368
116 HD2 LYS 14 HD2 LYS 14 3.927 4.590 21.395
117 HD3 LYS 14 HD1 LYS 14 2.747 4.823 20.105
118 HE2 LYS 14 HE2 LYS 14 2.500 2.192 20.269
119 HE3 LYS 14 HE1 LYS 14 3.163 2.436 21.886
120 HZ1 LYS 14 HZ1 LYS 14 0.527 2.839 21.040
121 HZ2 LYS 14 HZ2 LYS 14 1.185 4.380 21.375
122 HZ3 LYS 14 HZ3 LYS 14 1.198 3.174 22.571
123 H THR 15 HN THR 15 3.897 0.578 17.023
124 HA THR 15 HA THR 15 5.766 -0.717 18.753
125 HB THR 15 HB THR 15 4.102 -2.019 16.584
126 HG1 THR 15 HG1 THR 15 2.747 -0.712 17.801
127 HG21 THR 15 HG21 THR 15 4.022 -3.819 18.395
128 HG22 THR 15 HG22 THR 15 5.308 -2.923 19.206
129 HG23 THR 15 HG23 THR 15 5.578 -3.594 17.598
130 H ILE 16 HN ILE 16 5.528 -0.471 15.219
131 HA ILE 16 HA ILE 16 7.772 -2.143 14.608
132 HB ILE 16 HB ILE 16 6.452 0.093 13.050
133 HG12 ILE 16 HG12 ILE 16 6.394 -2.898 12.574
134 HG13 ILE 16 HG11 ILE 16 5.216 -2.094 13.610
135 HG21 ILE 16 HG21 ILE 16 7.673 -1.182 11.109
136 HG22 ILE 16 HG22 ILE 16 8.765 -1.723 12.382
137 HG23 ILE 16 HG23 ILE 16 8.578 -0.000 12.053
138 HD11 ILE 16 HD11 ILE 16 5.744 -1.199 10.766
139 HD12 ILE 16 HD12 ILE 16 4.383 -0.770 11.805
140 HD13 ILE 16 HD13 ILE 16 4.525 -2.409 11.169
141 H HIS 17 HN HIS 17 7.490 1.395 15.017
142 HA HIS 17 HA HIS 17 10.214 2.001 14.450
143 HB2 HIS 17 HB2 HIS 17 7.937 3.398 15.775
144 HB3 HIS 17 HB1 HIS 17 9.555 4.033 16.072
145 HD2 HIS 17 HD2 HIS 17 10.811 5.201 13.807
146 HE1 HIS 17 HE1 HIS 17 7.537 4.724 11.183
147 HE2 HIS 17 HE2 HIS 17 9.822 5.796 11.465
148 H ARG 18 HN ARG 18 8.569 1.089 17.450
149 HA ARG 18 HA ARG 18 10.763 1.621 19.214
150 HB2 ARG 18 HB2 ARG 18 8.494 1.364 20.065
151 HB3 ARG 18 HB1 ARG 18 8.435 -0.299 19.488
152 HG2 ARG 18 HG2 ARG 18 8.928 -0.342 21.867
153 HG3 ARG 18 HG1 ARG 18 10.381 -0.829 21.002
154 HD2 ARG 18 HD2 ARG 18 10.075 2.080 21.553
155 HD3 ARG 18 HD1 ARG 18 10.403 1.042 22.940
156 HE ARG 18 HE ARG 18 12.185 0.441 20.748
157 HH11 ARG 18 HH11 ARG 18 11.534 2.713 23.303
158 HH12 ARG 18 HH12 ARG 18 13.180 3.214 23.463
159 HH21 ARG 18 HH21 ARG 18 14.337 1.101 20.961
160 HH22 ARG 18 HH22 ARG 18 14.774 2.297 22.140
161 H LEU 19 HN LEU 19 9.719 -1.320 17.495
162 HA LEU 19 HA LEU 19 11.714 -3.046 18.588
163 HB2 LEU 19 HB2 LEU 19 10.120 -3.169 16.021
164 HB3 LEU 19 HB1 LEU 19 11.218 -4.450 16.531
165 HG LEU 19 HG LEU 19 8.987 -3.413 18.299
166 HD11 LEU 19 HD11 LEU 19 7.582 -5.156 17.518
167 HD12 LEU 19 HD12 LEU 19 8.907 -5.961 16.679
168 HD13 LEU 19 HD13 LEU 19 8.254 -4.448 16.051
169 HD21 LEU 19 HD21 LEU 19 10.371 -4.604 19.711
170 HD22 LEU 19 HD22 LEU 19 11.034 -5.585 18.404
171 HD23 LEU 19 HD23 LEU 19 9.438 -5.951 19.059
172 H VAL 20 HN VAL 20 11.660 -1.071 15.639
173 HA VAL 20 HA VAL 20 14.214 -1.952 14.651
174 HB VAL 20 HB VAL 20 12.551 0.514 14.083
175 HG11 VAL 20 HG11 VAL 20 14.083 0.436 11.943
176 HG12 VAL 20 HG12 VAL 20 15.205 -0.411 13.007
177 HG13 VAL 20 HG13 VAL 20 14.674 1.223 13.406
178 HG21 VAL 20 HG21 VAL 20 11.749 -1.858 13.449
179 HG22 VAL 20 HG22 VAL 20 13.088 -1.873 12.302
180 HG23 VAL 20 HG23 VAL 20 11.813 -0.663 12.155
181 H THR 21 HN THR 21 13.176 0.889 16.540
182 HA THR 21 HA THR 21 15.809 2.056 16.702
183 HB THR 21 HB THR 21 13.511 2.597 18.583
184 HG1 THR 21 HG1 THR 21 12.561 2.750 16.626
185 HG21 THR 21 HG21 THR 21 15.794 4.229 17.445
186 HG22 THR 21 HG22 THR 21 15.551 3.762 19.129
187 HG23 THR 21 HG23 THR 21 14.461 4.921 18.369
188 H GLY 22 HN GLY 22 17.470 1.462 18.011
189 HA2 GLY 22 HA2 GLY 22 16.854 -0.298 20.320
190 HA3 GLY 22 HA1 GLY 22 18.424 -0.121 19.544
191 HN1 NH2 23 H1 GLY 22 19.896 1.246 20.580