Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
644899 | 6oc2 RC | 30594 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 HT1 GLU 1 7.211 15.804 -16.884
2 H2 GLU 1 HT2 GLU 1 6.541 16.778 -15.665
3 H3 GLU 1 HT3 GLU 1 5.860 15.259 -16.010
4 HA GLU 1 HA GLU 1 7.641 14.103 -15.132
5 HB2 GLU 1 HB2 GLU 1 9.755 15.196 -14.393
6 HB3 GLU 1 HB1 GLU 1 9.444 15.495 -16.138
7 HG2 GLU 1 HG2 GLU 1 8.493 17.775 -15.564
8 HG3 GLU 1 HG1 GLU 1 8.890 17.479 -13.825
9 H MET 2 HN MET 2 5.369 16.173 -14.194
10 HA MET 2 HA MET 2 4.360 16.597 -12.262
11 HB2 MET 2 HB2 MET 2 6.429 14.689 -11.043
12 HB3 MET 2 HB1 MET 2 5.133 15.481 -10.093
13 HG2 MET 2 HG2 MET 2 3.392 14.373 -11.416
14 HG3 MET 2 HG1 MET 2 4.615 13.683 -12.530
15 HE1 MET 2 HE1 MET 2 4.673 13.689 -8.262
16 HE2 MET 2 HE2 MET 2 3.261 12.581 -8.349
17 HE3 MET 2 HE3 MET 2 3.219 14.156 -9.212
18 H ARG 3 HN ARG 3 4.949 17.321 -9.813
19 HA ARG 3 HA ARG 3 7.038 19.267 -10.216
20 HB2 ARG 3 HB2 ARG 3 4.791 20.292 -10.018
21 HB3 ARG 3 HB1 ARG 3 4.555 19.378 -8.489
22 HG2 ARG 3 HG2 ARG 3 6.287 20.638 -7.350
23 HG3 ARG 3 HG1 ARG 3 6.835 21.403 -8.884
24 HD2 ARG 3 HD2 ARG 3 4.685 22.650 -9.070
25 HD3 ARG 3 HD1 ARG 3 4.059 21.824 -7.578
26 HE ARG 3 HE ARG 3 5.447 23.223 -6.261
27 HH11 ARG 3 HH11 ARG 3 6.304 23.447 -9.717
28 HH12 ARG 3 HH12 ARG 3 7.374 24.794 -9.519
29 HH21 ARG 3 HH21 ARG 3 6.899 25.054 -6.000
30 HH22 ARG 3 HH22 ARG 3 7.718 25.722 -7.372
31 H LEU 4 HN LEU 4 5.301 17.480 -7.748
32 HA LEU 4 HA LEU 4 7.399 17.681 -5.887
33 HB2 LEU 4 HB2 LEU 4 5.474 15.354 -5.862
34 HB3 LEU 4 HB1 LEU 4 6.033 16.371 -4.473
35 HG LEU 4 HG LEU 4 4.607 18.270 -5.605
36 HD11 LEU 4 HD11 LEU 4 3.992 15.999 -7.395
37 HD12 LEU 4 HD12 LEU 4 3.517 17.738 -7.538
38 HD13 LEU 4 HD13 LEU 4 2.497 16.596 -6.581
39 HD21 LEU 4 HD21 LEU 4 2.488 17.283 -4.453
40 HD22 LEU 4 HD22 LEU 4 3.976 17.446 -3.446
41 HD23 LEU 4 HD23 LEU 4 3.500 15.829 -4.098
42 H SER 5 HN SER 5 6.375 15.503 -8.479
43 HA SER 5 HA SER 5 7.241 13.567 -9.220
44 HB2 SER 5 HB2 SER 5 8.849 15.380 -10.127
45 HB3 SER 5 HB1 SER 5 9.966 14.937 -8.780
46 HG SER 5 HG SER 5 9.393 13.662 -11.130
47 H ORN 6 HN ORN 6 10.415 13.499 -7.888
48 HA ORN 6 HA ORN 6 9.482 11.563 -5.909
49 HB2 ORN 6 HB1 ORN 6 12.301 12.200 -6.985
50 HB3 ORN 6 HB2 ORN 6 11.336 10.734 -7.361
51 HG2 ORN 6 HG1 ORN 6 12.286 11.454 -4.512
52 HG3 ORN 6 HG2 ORN 6 13.236 10.444 -5.646
53 HD2 ORN 6 HD2 ORN 6 10.378 9.557 -5.273
54 HD3 ORN 6 HD1 ORN 6 11.904 8.588 -5.338
55 H PHE 7 HN PHE 7 8.532 13.675 -4.901
56 HA PHE 7 HA PHE 7 10.239 15.478 -3.784
57 HB2 PHE 7 HB2 PHE 7 8.169 15.795 -2.186
58 HB3 PHE 7 HB1 PHE 7 7.955 16.131 -3.915
59 HD1 PHE 7 HD1 PHE 7 6.642 14.543 -1.116
60 HD2 PHE 7 HD2 PHE 7 7.025 14.131 -5.287
61 HE1 PHE 7 HE1 PHE 7 4.657 13.209 -1.145
62 HE2 PHE 7 HE2 PHE 7 5.010 12.784 -5.329
63 HZ PHE 7 HZ PHE 7 3.825 12.342 -3.222
64 H PHE 8 HN PHE 8 8.339 14.312 -1.238
65 HA PHE 8 HA PHE 8 10.710 13.083 -0.063
66 HB2 PHE 8 HB2 PHE 8 8.661 13.908 1.906
67 HB3 PHE 8 HB1 PHE 8 10.369 14.521 1.757
68 HD1 PHE 8 HD1 PHE 8 6.954 14.994 1.016
69 HD2 PHE 8 HD2 PHE 8 10.883 16.234 0.183
70 HE1 PHE 8 HE1 PHE 8 6.082 16.788 -0.330
71 HE2 PHE 8 HE2 PHE 8 10.021 18.076 -1.117
72 HZ PHE 8 HZ PHE 8 7.612 18.281 -1.408
73 H ARG 9 HN ARG 9 8.121 12.416 -1.740
74 HA ARG 9 HA ARG 9 6.383 10.808 -0.377
75 HB2 ARG 9 HB2 ARG 9 6.481 11.482 -2.936
76 HB3 ARG 9 HB1 ARG 9 7.436 9.984 -3.114
77 HG2 ARG 9 HG2 ARG 9 5.590 8.625 -2.213
78 HG3 ARG 9 HG1 ARG 9 4.625 10.101 -1.866
79 HD2 ARG 9 HD2 ARG 9 4.552 10.630 -4.344
80 HD3 ARG 9 HD1 ARG 9 5.473 9.097 -4.676
81 HE ARG 9 HE ARG 9 2.633 9.316 -3.840
82 HH11 ARG 9 HH11 ARG 9 5.554 7.290 -4.134
83 HH12 ARG 9 HH12 ARG 9 4.694 5.787 -4.150
84 HH21 ARG 9 HH21 ARG 9 1.471 7.272 -3.860
85 HH22 ARG 9 HH22 ARG 9 2.335 5.777 -3.992
86 H ASN 10 HN ASN 10 9.731 10.118 -1.343
87 HA ASN 10 HA ASN 10 9.469 7.327 -1.161
88 HB2 ASN 10 HB2 ASN 10 11.901 9.187 -0.896
89 HB3 ASN 10 HB1 ASN 10 12.025 7.386 -0.877
90 HD21 ASN 10 HD21 ASN 10 11.568 10.270 -2.884
91 H PHE 11 HN PHE 11 9.286 9.825 1.200
92 HA PHE 11 HA PHE 11 9.781 7.807 3.276
93 HB2 PHE 11 HB2 PHE 11 11.309 10.003 3.222
94 HB3 PHE 11 HB1 PHE 11 9.822 10.823 3.826
95 HD1 PHE 11 HD1 PHE 11 11.815 7.724 4.550
96 HD2 PHE 11 HD2 PHE 11 9.685 11.069 6.083
97 HE1 PHE 11 HE1 PHE 11 12.397 7.053 6.834
98 HE2 PHE 11 HE2 PHE 11 10.267 10.392 8.364
99 HZ PHE 11 HZ PHE 11 11.624 8.385 8.742
100 H ILE 12 HN ILE 12 8.027 11.018 2.829
101 HA ILE 12 HA ILE 12 5.505 9.830 3.050
102 HB ILE 12 HB ILE 12 4.876 11.354 5.043
103 HG12 ILE 12 HG12 ILE 12 7.114 10.937 6.690
104 HG13 ILE 12 HG11 ILE 12 7.856 11.490 5.146
105 HG21 ILE 12 HG21 ILE 12 6.465 8.804 5.681
106 HG22 ILE 12 HG22 ILE 12 4.837 8.799 4.905
107 HG23 ILE 12 HG23 ILE 12 5.050 9.478 6.560
108 HD11 ILE 12 HD11 ILE 12 6.965 13.626 5.315
109 HD12 ILE 12 HD12 ILE 12 6.947 13.218 7.073
110 HD13 ILE 12 HD13 ILE 12 5.441 13.052 6.091
111 H LEU 13 HN LEU 13 5.198 12.820 4.393
112 HA LEU 13 HA LEU 13 6.065 14.671 2.760
113 HB2 LEU 13 HB2 LEU 13 5.314 14.304 0.605
114 HB3 LEU 13 HB1 LEU 13 4.349 12.896 1.150
115 HG LEU 13 HG LEU 13 3.305 15.704 1.689
116 HD11 LEU 13 HD11 LEU 13 2.429 16.029 -0.478
117 HD12 LEU 13 HD12 LEU 13 2.767 14.329 -0.983
118 HD13 LEU 13 HD13 LEU 13 4.135 15.496 -0.765
119 HD21 LEU 13 HD21 LEU 13 1.392 13.671 0.742
120 HD22 LEU 13 HD22 LEU 13 1.439 14.576 2.306
121 HD23 LEU 13 HD23 LEU 13 2.375 13.035 2.125
122 H GLN 14 HN GLN 14 3.406 13.082 4.418
123 HA GLN 14 HA GLN 14 1.867 15.445 4.633
124 HB2 GLN 14 HB2 GLN 14 1.832 12.782 6.099
125 HB3 GLN 14 HB1 GLN 14 0.834 14.161 6.690
126 HG2 GLN 14 HG2 GLN 14 -0.194 14.351 4.370
127 HG3 GLN 14 HG1 GLN 14 0.709 12.852 3.899
128 HE21 GLN 14 HE21 GLN 14 -1.612 14.140 6.386
129 HE22 GLN 14 HE22 GLN 14 -2.430 12.638 6.651
130 H ARG 15 HN ARG 15 1.755 16.973 6.163
131 HA ARG 15 HA ARG 15 4.133 17.428 7.593
132 HB2 ARG 15 HB2 ARG 15 1.396 18.810 7.633
133 HB3 ARG 15 HB1 ARG 15 2.829 19.416 8.535
134 HG2 ARG 15 HG2 ARG 15 2.661 20.674 6.459
135 HG3 ARG 15 HG1 ARG 15 4.096 19.603 6.357
136 HD2 ARG 15 HD2 ARG 15 2.681 19.717 4.199
137 HD3 ARG 15 HD1 ARG 15 2.898 18.032 4.837
138 HE ARG 15 HE ARG 15 0.575 17.968 5.325
139 HH11 ARG 15 HH11 ARG 15 1.643 21.295 4.597
140 HH12 ARG 15 HH12 ARG 15 0.043 21.951 4.508
141 HH21 ARG 15 HH21 ARG 15 -1.597 18.867 5.198
142 HH22 ARG 15 HH22 ARG 15 -1.828 20.548 4.856
143 H LYS 16 HN LYS 16 1.098 15.853 8.231
144 HA LYS 16 HA LYS 16 1.098 16.090 11.013
145 HB2 LYS 16 HB2 LYS 16 -0.894 15.293 9.738
146 HB3 LYS 16 HB1 LYS 16 0.042 13.858 9.199
147 HG2 LYS 16 HG2 LYS 16 0.149 12.973 11.468
148 HG3 LYS 16 HG1 LYS 16 -0.545 14.487 12.153
149 HD2 LYS 16 HD2 LYS 16 -2.273 12.728 12.032
150 HD3 LYS 16 HD1 LYS 16 -2.675 14.075 10.909
151 HE2 LYS 16 HE2 LYS 16 -1.793 12.758 8.974
152 HE3 LYS 16 HE1 LYS 16 -1.333 11.407 10.095
153 HZ1 LYS 16 HZ1 LYS 16 -3.634 11.159 10.682
154 HZ2 LYS 16 HZ2 LYS 16 -3.450 11.054 8.998
155 HZ3 LYS 16 HZ3 LYS 16 -4.087 12.465 9.696
156 H LYS 17 HN LYS 17 2.643 13.913 8.692
157 HA LYS 17 HA LYS 17 3.591 12.122 10.678
158 HB2 LYS 17 HB2 LYS 17 3.828 12.467 7.721
159 HB3 LYS 17 HB1 LYS 17 5.348 11.885 8.489
160 HG2 LYS 17 HG2 LYS 17 4.523 9.808 8.733
161 HG3 LYS 17 HG1 LYS 17 3.069 10.421 9.600
162 HD2 LYS 17 HD2 LYS 17 3.280 10.616 6.551
163 HD3 LYS 17 HD1 LYS 17 2.779 9.082 7.338
164 HE2 LYS 17 HE2 LYS 17 1.350 11.619 8.227
165 HE3 LYS 17 HE1 LYS 17 0.990 10.982 6.565
166 HZ1 LYS 17 HZ1 LYS 17 -0.144 9.327 7.425
167 HZ2 LYS 17 HZ2 LYS 17 -0.075 10.126 8.922
168 HZ3 LYS 17 HZ3 LYS 17 1.062 8.920 8.550
Start of MODEL 2
1 H1 GLU 1 HT1 GLU 1 6.623 17.203 -15.749
2 H2 GLU 1 HT2 GLU 1 6.428 16.807 -17.390
3 H3 GLU 1 HT3 GLU 1 7.721 16.150 -16.505
4 HA GLU 1 HA GLU 1 5.016 15.285 -16.731
5 HB2 GLU 1 HB2 GLU 1 7.644 14.081 -15.702
6 HB3 GLU 1 HB1 GLU 1 6.105 13.148 -15.749
7 HG2 GLU 1 HG2 GLU 1 5.969 13.372 -18.211
8 HG3 GLU 1 HG1 GLU 1 7.416 14.456 -18.227
9 H MET 2 HN MET 2 7.291 15.966 -13.988
10 HA MET 2 HA MET 2 4.930 16.079 -12.286
11 HB2 MET 2 HB2 MET 2 7.277 14.209 -11.945
12 HB3 MET 2 HB1 MET 2 6.722 15.092 -10.481
13 HG2 MET 2 HG2 MET 2 4.890 13.408 -12.291
14 HG3 MET 2 HG1 MET 2 5.694 12.787 -10.814
15 HE1 MET 2 HE1 MET 2 3.400 11.960 -10.062
16 HE2 MET 2 HE2 MET 2 2.613 12.681 -11.508
17 HE3 MET 2 HE3 MET 2 1.927 12.973 -9.873
18 H ARG 3 HN ARG 3 5.521 17.067 -10.130
19 HA ARG 3 HA ARG 3 7.563 19.048 -10.635
20 HB2 ARG 3 HB2 ARG 3 5.285 20.038 -10.565
21 HB3 ARG 3 HB1 ARG 3 5.038 19.241 -8.973
22 HG2 ARG 3 HG2 ARG 3 6.744 20.615 -7.917
23 HG3 ARG 3 HG1 ARG 3 7.278 21.281 -9.501
24 HD2 ARG 3 HD2 ARG 3 5.863 22.948 -8.297
25 HD3 ARG 3 HD1 ARG 3 4.993 22.356 -9.777
26 HE ARG 3 HE ARG 3 3.414 21.269 -8.380
27 HH11 ARG 3 HH11 ARG 3 6.228 22.412 -6.511
28 HH12 ARG 3 HH12 ARG 3 5.513 22.113 -4.963
29 HH21 ARG 3 HH21 ARG 3 2.446 20.866 -6.275
30 HH22 ARG 3 HH22 ARG 3 3.327 21.218 -4.827
31 H LEU 4 HN LEU 4 5.786 17.434 -8.073
32 HA LEU 4 HA LEU 4 7.796 17.859 -6.168
33 HB2 LEU 4 HB2 LEU 4 5.998 15.441 -6.001
34 HB3 LEU 4 HB1 LEU 4 6.395 16.639 -4.708
35 HG LEU 4 HG LEU 4 4.936 18.297 -6.147
36 HD11 LEU 4 HD11 LEU 4 3.969 17.475 -8.041
37 HD12 LEU 4 HD12 LEU 4 3.024 16.323 -7.020
38 HD13 LEU 4 HD13 LEU 4 4.617 15.820 -7.701
39 HD21 LEU 4 HD21 LEU 4 4.287 17.598 -3.903
40 HD22 LEU 4 HD22 LEU 4 3.782 15.966 -4.490
41 HD23 LEU 4 HD23 LEU 4 2.839 17.431 -4.969
42 H SER 5 HN SER 5 6.971 15.449 -8.598
43 HA SER 5 HA SER 5 7.970 13.622 -9.315
44 HB2 SER 5 HB2 SER 5 10.477 15.107 -8.346
45 HB3 SER 5 HB1 SER 5 10.560 13.529 -9.229
46 HG SER 5 HG SER 5 9.775 16.068 -10.091
47 H ORN 6 HN ORN 6 10.633 13.670 -6.980
48 HA ORN 6 HA ORN 6 9.435 11.285 -5.765
49 HB2 ORN 6 HB1 ORN 6 12.250 12.225 -6.378
50 HB3 ORN 6 HB2 ORN 6 11.548 10.588 -6.546
51 HG2 ORN 6 HG1 ORN 6 12.097 11.757 -3.762
52 HG3 ORN 6 HG2 ORN 6 13.413 11.043 -4.742
53 HD2 ORN 6 HD2 ORN 6 10.968 9.313 -4.621
54 HD3 ORN 6 HD1 ORN 6 12.710 8.893 -4.375
55 H PHE 7 HN PHE 7 9.681 14.575 -5.327
56 HA PHE 7 HA PHE 7 10.459 15.839 -3.581
57 HB2 PHE 7 HB2 PHE 7 8.235 16.074 -2.247
58 HB3 PHE 7 HB1 PHE 7 8.204 16.390 -3.992
59 HD1 PHE 7 HD1 PHE 7 6.523 15.023 -1.401
60 HD2 PHE 7 HD2 PHE 7 7.676 14.125 -5.350
61 HE1 PHE 7 HE1 PHE 7 4.618 13.574 -1.615
62 HE2 PHE 7 HE2 PHE 7 5.767 12.676 -5.576
63 HZ PHE 7 HZ PHE 7 4.219 12.415 -3.677
64 H PHE 8 HN PHE 8 8.305 14.509 -1.372
65 HA PHE 8 HA PHE 8 10.540 13.406 0.134
66 HB2 PHE 8 HB2 PHE 8 8.399 14.433 1.897
67 HB3 PHE 8 HB1 PHE 8 10.140 14.963 1.839
68 HD1 PHE 8 HD1 PHE 8 6.815 15.560 0.795
69 HD2 PHE 8 HD2 PHE 8 10.852 16.560 0.227
70 HE1 PHE 8 HE1 PHE 8 6.140 17.290 -0.696
71 HE2 PHE 8 HE2 PHE 8 10.181 18.359 -1.234
72 HZ PHE 8 HZ PHE 8 7.812 18.647 -1.724
73 H ARG 9 HN ARG 9 8.212 12.608 -1.718
74 HA ARG 9 HA ARG 9 6.264 11.194 -0.382
75 HB2 ARG 9 HB2 ARG 9 6.670 11.564 -2.982
76 HB3 ARG 9 HB1 ARG 9 7.605 10.049 -2.871
77 HG2 ARG 9 HG2 ARG 9 5.654 8.802 -2.092
78 HG3 ARG 9 HG1 ARG 9 4.685 10.308 -1.939
79 HD2 ARG 9 HD2 ARG 9 4.003 9.207 -4.024
80 HD3 ARG 9 HD1 ARG 9 5.017 10.640 -4.504
81 HE ARG 9 HE ARG 9 6.733 8.342 -4.189
82 HH11 ARG 9 HH11 ARG 9 4.125 9.640 -6.237
83 HH12 ARG 9 HH12 ARG 9 4.648 8.839 -7.680
84 HH21 ARG 9 HH21 ARG 9 7.447 7.252 -6.151
85 HH22 ARG 9 HH22 ARG 9 6.570 7.457 -7.629
86 H ASN 10 HN ASN 10 9.677 10.372 -1.027
87 HA ASN 10 HA ASN 10 9.457 7.638 -0.538
88 HB2 ASN 10 HB2 ASN 10 11.793 9.584 -0.085
89 HB3 ASN 10 HB1 ASN 10 11.939 7.794 0.082
90 HD21 ASN 10 HD21 ASN 10 11.719 10.518 -2.150
91 H PHE 11 HN PHE 11 9.314 10.453 1.589
92 HA PHE 11 HA PHE 11 9.662 8.690 3.887
93 HB2 PHE 11 HB2 PHE 11 9.220 11.741 3.736
94 HB3 PHE 11 HB1 PHE 11 9.427 10.804 5.264
95 HD1 PHE 11 HD1 PHE 11 11.072 12.341 2.415
96 HD2 PHE 11 HD2 PHE 11 11.598 9.768 5.758
97 HE1 PHE 11 HE1 PHE 11 13.499 12.648 2.271
98 HE2 PHE 11 HE2 PHE 11 14.025 10.081 5.612
99 HZ PHE 11 HZ PHE 11 14.978 11.520 3.870
100 H ILE 12 HN ILE 12 7.342 11.374 2.920
101 HA ILE 12 HA ILE 12 5.121 9.730 2.876
102 HB ILE 12 HB ILE 12 4.113 11.179 4.947
103 HG12 ILE 12 HG12 ILE 12 5.748 10.524 6.908
104 HG13 ILE 12 HG11 ILE 12 7.023 10.552 5.655
105 HG21 ILE 12 HG21 ILE 12 4.713 8.764 6.191
106 HG22 ILE 12 HG22 ILE 12 4.924 8.343 4.451
107 HG23 ILE 12 HG23 ILE 12 3.360 9.029 5.029
108 HD11 ILE 12 HD11 ILE 12 6.775 12.883 5.248
109 HD12 ILE 12 HD12 ILE 12 6.499 12.764 7.029
110 HD13 ILE 12 HD13 ILE 12 5.093 12.917 5.907
111 H LEU 13 HN LEU 13 6.637 12.826 3.457
112 HA LEU 13 HA LEU 13 6.390 14.691 2.354
113 HB2 LEU 13 HB2 LEU 13 5.546 14.406 0.228
114 HB3 LEU 13 HB1 LEU 13 4.483 13.067 0.764
115 HG LEU 13 HG LEU 13 3.782 15.965 1.442
116 HD11 LEU 13 HD11 LEU 13 2.622 16.324 -0.627
117 HD12 LEU 13 HD12 LEU 13 2.949 14.641 -1.189
118 HD13 LEU 13 HD13 LEU 13 4.311 15.825 -1.037
119 HD21 LEU 13 HD21 LEU 13 2.609 13.470 2.044
120 HD22 LEU 13 HD22 LEU 13 1.596 14.107 0.688
121 HD23 LEU 13 HD23 LEU 13 1.825 15.093 2.189
122 H GLN 14 HN GLN 14 3.811 13.159 4.208
123 HA GLN 14 HA GLN 14 2.445 15.598 4.568
124 HB2 GLN 14 HB2 GLN 14 2.144 12.813 5.514
125 HB3 GLN 14 HB1 GLN 14 1.737 14.026 6.776
126 HG2 GLN 14 HG2 GLN 14 -0.331 13.987 5.747
127 HG3 GLN 14 HG1 GLN 14 0.462 15.185 4.641
128 HE21 GLN 14 HE21 GLN 14 -1.298 14.264 3.151
129 HE22 GLN 14 HE22 GLN 14 -0.887 12.878 2.199
130 H ARG 15 HN ARG 15 1.957 16.237 6.974
131 HA ARG 15 HA ARG 15 4.573 16.808 8.083
132 HB2 ARG 15 HB2 ARG 15 2.080 18.435 8.683
133 HB3 ARG 15 HB1 ARG 15 3.800 18.956 8.748
134 HG2 ARG 15 HG2 ARG 15 2.906 20.056 6.826
135 HG3 ARG 15 HG1 ARG 15 3.850 18.677 6.168
136 HD2 ARG 15 HD2 ARG 15 1.847 17.410 5.638
137 HD3 ARG 15 HD1 ARG 15 0.792 18.496 6.643
138 HE ARG 15 HE ARG 15 1.705 18.931 3.893
139 HH11 ARG 15 HH11 ARG 15 0.689 20.478 6.944
140 HH12 ARG 15 HH12 ARG 15 0.104 21.926 6.195
141 HH21 ARG 15 HH21 ARG 15 0.908 20.904 2.880
142 HH22 ARG 15 HH22 ARG 15 0.231 22.170 3.846
143 H LYS 16 HN LYS 16 1.250 15.749 8.611
144 HA LYS 16 HA LYS 16 1.509 15.640 11.431
145 HB2 LYS 16 HB2 LYS 16 -0.606 14.330 11.383
146 HB3 LYS 16 HB1 LYS 16 -0.740 15.816 10.391
147 HG2 LYS 16 HG2 LYS 16 -0.260 14.442 8.337
148 HG3 LYS 16 HG1 LYS 16 -0.241 12.969 9.369
149 HD2 LYS 16 HD2 LYS 16 -2.583 13.390 10.061
150 HD3 LYS 16 HD1 LYS 16 -2.612 14.914 9.103
151 HE2 LYS 16 HE2 LYS 16 -2.212 13.613 7.012
152 HE3 LYS 16 HE1 LYS 16 -2.196 12.079 7.976
153 HZ1 LYS 16 HZ1 LYS 16 -4.420 12.290 8.467
154 HZ2 LYS 16 HZ2 LYS 16 -4.343 12.807 6.851
155 HZ3 LYS 16 HZ3 LYS 16 -4.484 13.946 8.102
156 H LYS 17 HN LYS 17 2.507 13.695 8.771
157 HA LYS 17 HA LYS 17 2.658 11.292 10.337
158 HB2 LYS 17 HB2 LYS 17 3.130 12.077 7.483
159 HB3 LYS 17 HB1 LYS 17 4.319 10.891 8.123
160 HG2 LYS 17 HG2 LYS 17 2.823 9.193 8.135
161 HG3 LYS 17 HG1 LYS 17 1.544 10.204 8.895
162 HD2 LYS 17 HD2 LYS 17 2.211 10.760 5.992
163 HD3 LYS 17 HD1 LYS 17 1.365 9.219 6.358
164 HE2 LYS 17 HE2 LYS 17 0.267 11.756 7.650
165 HE3 LYS 17 HE1 LYS 17 0.004 11.515 5.867
166 HZ1 LYS 17 HZ1 LYS 17 -0.542 9.333 7.783
167 HZ2 LYS 17 HZ2 LYS 17 -1.187 9.612 6.237
168 HZ3 LYS 17 HZ3 LYS 17 -1.667 10.582 7.546
Start of MODEL 3
1 H1 GLU 1 HT1 GLU 1 6.236 17.366 -14.656
2 H2 GLU 1 HT2 GLU 1 5.717 17.249 -16.269
3 H3 GLU 1 HT3 GLU 1 6.182 15.852 -15.425
4 HA GLU 1 HA GLU 1 3.682 17.202 -15.501
5 HB2 GLU 1 HB2 GLU 1 4.696 14.484 -14.503
6 HB3 GLU 1 HB1 GLU 1 2.958 14.948 -14.443
7 HG2 GLU 1 HG2 GLU 1 2.862 15.168 -16.904
8 HG3 GLU 1 HG1 GLU 1 4.644 14.893 -17.038
9 H MET 2 HN MET 2 5.842 15.970 -12.849
10 HA MET 2 HA MET 2 4.367 17.772 -11.077
11 HB2 MET 2 HB2 MET 2 5.155 14.874 -10.507
12 HB3 MET 2 HB1 MET 2 4.865 16.072 -9.199
13 HG2 MET 2 HG2 MET 2 2.543 16.417 -9.988
14 HG3 MET 2 HG1 MET 2 2.813 15.293 -11.362
15 HE1 MET 2 HE1 MET 2 0.585 14.344 -10.621
16 HE2 MET 2 HE2 MET 2 0.455 15.262 -9.081
17 HE3 MET 2 HE3 MET 2 0.242 13.477 -9.084
18 H ARG 3 HN ARG 3 5.532 18.522 -9.302
19 HA ARG 3 HA ARG 3 8.346 18.567 -9.849
20 HB2 ARG 3 HB2 ARG 3 7.145 20.711 -9.363
21 HB3 ARG 3 HB1 ARG 3 6.660 19.992 -7.789
22 HG2 ARG 3 HG2 ARG 3 8.919 19.933 -6.980
23 HG3 ARG 3 HG1 ARG 3 9.595 20.330 -8.601
24 HD2 ARG 3 HD2 ARG 3 8.595 22.615 -8.494
25 HD3 ARG 3 HD1 ARG 3 7.824 22.216 -6.898
26 HE ARG 3 HE ARG 3 9.943 22.435 -5.857
27 HH11 ARG 3 HH11 ARG 3 10.252 22.374 -9.411
28 HH12 ARG 3 HH12 ARG 3 11.925 22.821 -9.423
29 HH21 ARG 3 HH21 ARG 3 12.214 23.042 -5.881
30 HH22 ARG 3 HH22 ARG 3 13.058 23.207 -7.384
31 H LEU 4 HN LEU 4 6.030 17.952 -7.256
32 HA LEU 4 HA LEU 4 8.147 16.726 -5.776
33 HB2 LEU 4 HB2 LEU 4 6.208 16.108 -4.172
34 HB3 LEU 4 HB1 LEU 4 6.736 17.820 -4.224
35 HG LEU 4 HG LEU 4 4.432 16.744 -5.919
36 HD11 LEU 4 HD11 LEU 4 4.446 17.704 -3.011
37 HD12 LEU 4 HD12 LEU 4 3.702 16.217 -3.726
38 HD13 LEU 4 HD13 LEU 4 2.972 17.842 -4.050
39 HD21 LEU 4 HD21 LEU 4 4.365 18.834 -6.765
40 HD22 LEU 4 HD22 LEU 4 5.829 19.266 -5.798
41 HD23 LEU 4 HD23 LEU 4 4.177 19.534 -5.108
42 H SER 5 HN SER 5 8.401 15.384 -7.590
43 HA SER 5 HA SER 5 6.542 13.144 -7.487
44 HB2 SER 5 HB2 SER 5 7.031 13.988 -9.831
45 HB3 SER 5 HB1 SER 5 8.789 13.687 -9.539
46 HG SER 5 HG SER 5 8.481 11.637 -9.768
47 H ORN 6 HN ORN 6 7.154 11.718 -5.877
48 HA ORN 6 HA ORN 6 8.388 10.260 -4.769
49 HB2 ORN 6 HB1 ORN 6 11.070 10.862 -6.005
50 HB3 ORN 6 HB2 ORN 6 9.836 10.130 -7.091
51 HG2 ORN 6 HG1 ORN 6 10.494 8.119 -6.250
52 HG3 ORN 6 HG2 ORN 6 9.601 8.570 -4.760
53 HD2 ORN 6 HD2 ORN 6 12.435 8.046 -5.049
54 HD3 ORN 6 HD1 ORN 6 12.264 9.807 -4.670
55 H PHE 7 HN PHE 7 9.234 13.558 -5.222
56 HA PHE 7 HA PHE 7 10.878 14.785 -4.104
57 HB2 PHE 7 HB2 PHE 7 9.239 15.631 -2.157
58 HB3 PHE 7 HB1 PHE 7 8.845 15.934 -3.862
59 HD1 PHE 7 HD1 PHE 7 7.560 14.932 -0.843
60 HD2 PHE 7 HD2 PHE 7 7.508 13.932 -4.910
61 HE1 PHE 7 HE1 PHE 7 5.368 13.988 -0.569
62 HE2 PHE 7 HE2 PHE 7 5.317 13.004 -4.678
63 HZ PHE 7 HZ PHE 7 4.233 13.030 -2.458
64 H PHE 8 HN PHE 8 9.183 14.138 -1.213
65 HA PHE 8 HA PHE 8 11.585 12.849 -0.172
66 HB2 PHE 8 HB2 PHE 8 9.772 14.036 1.884
67 HB3 PHE 8 HB1 PHE 8 11.538 14.382 1.615
68 HD1 PHE 8 HD1 PHE 8 8.258 15.495 1.263
69 HD2 PHE 8 HD2 PHE 8 12.130 15.721 -0.373
70 HE1 PHE 8 HE1 PHE 8 7.538 17.301 -0.150
71 HE2 PHE 8 HE2 PHE 8 11.432 17.568 -1.756
72 HZ PHE 8 HZ PHE 8 9.106 18.273 -1.684
73 H ARG 9 HN ARG 9 8.742 12.387 -1.488
74 HA ARG 9 HA ARG 9 7.121 10.900 0.174
75 HB2 ARG 9 HB2 ARG 9 6.829 11.677 -2.357
76 HB3 ARG 9 HB1 ARG 9 7.561 10.085 -2.721
77 HG2 ARG 9 HG2 ARG 9 5.758 8.900 -1.581
78 HG3 ARG 9 HG1 ARG 9 5.084 10.434 -0.931
79 HD2 ARG 9 HD2 ARG 9 3.698 9.744 -2.848
80 HD3 ARG 9 HD1 ARG 9 4.677 11.180 -3.386
81 HE ARG 9 HE ARG 9 6.136 8.753 -3.967
82 HH11 ARG 9 HH11 ARG 9 3.245 10.606 -4.908
83 HH12 ARG 9 HH12 ARG 9 3.244 10.066 -6.553
84 HH21 ARG 9 HH21 ARG 9 6.136 8.013 -6.203
85 HH22 ARG 9 HH22 ARG 9 4.917 8.565 -7.302
86 H ASN 10 HN ASN 10 10.304 10.185 -0.997
87 HA ASN 10 HA ASN 10 10.134 7.416 -1.181
88 HB2 ASN 10 HB2 ASN 10 12.428 9.202 -0.153
89 HB3 ASN 10 HB1 ASN 10 12.598 7.439 -0.451
90 HD21 ASN 10 HD21 ASN 10 10.525 8.237 -2.921
91 H PHE 11 HN PHE 11 10.338 9.729 1.566
92 HA PHE 11 HA PHE 11 10.150 7.422 3.377
93 HB2 PHE 11 HB2 PHE 11 11.019 10.324 3.951
94 HB3 PHE 11 HB1 PHE 11 10.817 9.044 5.208
95 HD1 PHE 11 HD1 PHE 11 12.914 10.350 2.520
96 HD2 PHE 11 HD2 PHE 11 12.378 7.184 5.308
97 HE1 PHE 11 HE1 PHE 11 15.241 9.659 2.187
98 HE2 PHE 11 HE2 PHE 11 14.707 6.497 4.971
99 HZ PHE 11 HZ PHE 11 16.140 7.732 3.411
100 H ILE 12 HN ILE 12 9.011 10.934 3.095
101 HA ILE 12 HA ILE 12 6.338 10.154 3.344
102 HB ILE 12 HB ILE 12 6.080 11.791 5.414
103 HG12 ILE 12 HG12 ILE 12 7.932 10.825 7.121
104 HG13 ILE 12 HG11 ILE 12 8.948 10.805 5.640
105 HG21 ILE 12 HG21 ILE 12 5.327 9.355 5.068
106 HG22 ILE 12 HG22 ILE 12 5.641 9.858 6.771
107 HG23 ILE 12 HG23 ILE 12 6.856 8.863 5.891
108 HD11 ILE 12 HD11 ILE 12 9.002 12.960 7.127
109 HD12 ILE 12 HD12 ILE 12 7.362 13.313 6.462
110 HD13 ILE 12 HD13 ILE 12 8.781 13.188 5.352
111 H LEU 13 HN LEU 13 6.783 13.149 4.806
112 HA LEU 13 HA LEU 13 7.779 14.781 3.006
113 HB2 LEU 13 HB2 LEU 13 6.563 14.793 1.060
114 HB3 LEU 13 HB1 LEU 13 5.581 13.444 1.699
115 HG LEU 13 HG LEU 13 4.745 16.126 2.729
116 HD11 LEU 13 HD11 LEU 13 5.559 16.227 0.091
117 HD12 LEU 13 HD12 LEU 13 4.221 17.220 0.794
118 HD13 LEU 13 HD13 LEU 13 3.840 15.698 -0.097
119 HD21 LEU 13 HD21 LEU 13 3.653 13.692 2.846
120 HD22 LEU 13 HD22 LEU 13 3.026 14.123 1.206
121 HD23 LEU 13 HD23 LEU 13 2.611 15.154 2.629
122 H GLN 14 HN GLN 14 5.452 13.762 5.328
123 HA GLN 14 HA GLN 14 4.865 14.773 7.202
124 HB2 GLN 14 HB2 GLN 14 6.939 16.492 6.524
125 HB3 GLN 14 HB1 GLN 14 5.529 17.606 6.478
126 HG2 GLN 14 HG2 GLN 14 5.044 17.314 8.775
127 HG3 GLN 14 HG1 GLN 14 5.895 15.715 8.849
128 HE21 GLN 14 HE21 GLN 14 6.446 19.271 8.371
129 HE22 GLN 14 HE22 GLN 14 8.058 19.286 9.000
130 H ARG 15 HN ARG 15 3.630 17.356 7.528
131 HA ARG 15 HA ARG 15 1.796 18.469 7.054
132 HB2 ARG 15 HB2 ARG 15 2.097 17.232 4.279
133 HB3 ARG 15 HB1 ARG 15 0.627 18.163 4.725
134 HG2 ARG 15 HG2 ARG 15 2.020 19.778 3.706
135 HG3 ARG 15 HG1 ARG 15 2.249 20.060 5.467
136 HD2 ARG 15 HD2 ARG 15 4.275 18.169 4.913
137 HD3 ARG 15 HD1 ARG 15 4.242 19.174 3.403
138 HE ARG 15 HE ARG 15 4.973 20.093 6.135
139 HH11 ARG 15 HH11 ARG 15 4.013 20.920 2.799
140 HH12 ARG 15 HH12 ARG 15 4.676 22.520 2.842
141 HH21 ARG 15 HH21 ARG 15 5.873 22.268 6.186
142 HH22 ARG 15 HH22 ARG 15 5.750 23.297 4.799
143 H LYS 16 HN LYS 16 1.180 15.469 5.185
144 HA LYS 16 HA LYS 16 -1.268 15.099 6.575
145 HB2 LYS 16 HB2 LYS 16 -1.397 12.910 5.387
146 HB3 LYS 16 HB1 LYS 16 -1.041 14.254 4.256
147 HG2 LYS 16 HG2 LYS 16 1.396 13.641 4.346
148 HG3 LYS 16 HG1 LYS 16 0.979 12.256 5.412
149 HD2 LYS 16 HD2 LYS 16 -0.452 11.279 3.652
150 HD3 LYS 16 HD1 LYS 16 -0.169 12.705 2.592
151 HE2 LYS 16 HE2 LYS 16 2.263 12.173 2.512
152 HE3 LYS 16 HE1 LYS 16 1.989 10.740 3.579
153 HZ1 LYS 16 HZ1 LYS 16 0.434 11.040 1.098
154 HZ2 LYS 16 HZ2 LYS 16 0.890 9.637 1.938
155 HZ3 LYS 16 HZ3 LYS 16 2.040 10.492 1.026
156 H LYS 17 HN LYS 17 2.019 14.473 7.215
157 HA LYS 17 HA LYS 17 1.305 12.403 9.166
158 HB2 LYS 17 HB2 LYS 17 4.112 13.359 8.346
159 HB3 LYS 17 HB1 LYS 17 3.725 11.946 9.388
160 HG2 LYS 17 HG2 LYS 17 2.975 12.237 6.415
161 HG3 LYS 17 HG1 LYS 17 4.358 11.286 7.063
162 HD2 LYS 17 HD2 LYS 17 2.773 9.831 8.334
163 HD3 LYS 17 HD1 LYS 17 1.382 10.796 7.731
164 HE2 LYS 17 HE2 LYS 17 1.916 10.130 5.383
165 HE3 LYS 17 HE1 LYS 17 3.334 9.165 5.973
166 HZ1 LYS 17 HZ1 LYS 17 0.740 8.333 5.709
167 HZ2 LYS 17 HZ2 LYS 17 0.939 8.532 7.384
168 HZ3 LYS 17 HZ3 LYS 17 1.998 7.528 6.517
Start of MODEL 4
1 H1 GLU 1 HT1 GLU 1 3.393 14.537 -15.414
2 H2 GLU 1 HT2 GLU 1 4.902 14.294 -14.675
3 H3 GLU 1 HT3 GLU 1 4.815 14.622 -16.340
4 HA GLU 1 HA GLU 1 5.458 16.616 -15.465
5 HB2 GLU 1 HB2 GLU 1 3.368 16.713 -16.943
6 HB3 GLU 1 HB1 GLU 1 2.387 16.761 -15.437
7 HG2 GLU 1 HG2 GLU 1 3.468 18.914 -14.762
8 HG3 GLU 1 HG1 GLU 1 4.517 18.863 -16.236
9 H MET 2 HN MET 2 6.366 16.219 -13.319
10 HA MET 2 HA MET 2 4.556 17.228 -11.261
11 HB2 MET 2 HB2 MET 2 6.294 14.722 -11.105
12 HB3 MET 2 HB1 MET 2 5.908 15.681 -9.635
13 HG2 MET 2 HG2 MET 2 3.822 14.451 -11.536
14 HG3 MET 2 HG1 MET 2 4.388 13.699 -10.010
15 HE1 MET 2 HE1 MET 2 1.387 14.254 -10.846
16 HE2 MET 2 HE2 MET 2 0.731 14.707 -9.235
17 HE3 MET 2 HE3 MET 2 1.963 13.405 -9.369
18 H ARG 3 HN ARG 3 5.746 18.024 -9.362
19 HA ARG 3 HA ARG 3 8.237 19.140 -10.283
20 HB2 ARG 3 HB2 ARG 3 6.493 20.804 -9.694
21 HB3 ARG 3 HB1 ARG 3 6.346 20.012 -8.086
22 HG2 ARG 3 HG2 ARG 3 8.575 20.693 -7.432
23 HG3 ARG 3 HG1 ARG 3 8.979 21.230 -9.101
24 HD2 ARG 3 HD2 ARG 3 8.494 23.208 -7.676
25 HD3 ARG 3 HD1 ARG 3 7.165 23.017 -8.904
26 HE ARG 3 HE ARG 3 6.493 21.582 -6.473
27 HH11 ARG 3 HH11 ARG 3 6.831 24.838 -7.877
28 HH12 ARG 3 HH12 ARG 3 5.644 25.572 -6.853
29 HH21 ARG 3 HH21 ARG 3 4.877 22.580 -5.077
30 HH22 ARG 3 HH22 ARG 3 4.515 24.266 -5.233
31 H LEU 4 HN LEU 4 6.625 17.954 -7.402
32 HA LEU 4 HA LEU 4 8.991 17.616 -5.955
33 HB2 LEU 4 HB2 LEU 4 6.638 15.777 -5.515
34 HB3 LEU 4 HB1 LEU 4 7.605 16.678 -4.285
35 HG LEU 4 HG LEU 4 6.445 18.813 -5.299
36 HD11 LEU 4 HD11 LEU 4 3.911 17.547 -5.833
37 HD12 LEU 4 HD12 LEU 4 5.125 16.697 -6.861
38 HD13 LEU 4 HD13 LEU 4 4.938 18.492 -6.980
39 HD21 LEU 4 HD21 LEU 4 6.076 18.058 -3.000
40 HD22 LEU 4 HD22 LEU 4 4.983 16.730 -3.554
41 HD23 LEU 4 HD23 LEU 4 4.472 18.455 -3.729
42 H SER 5 HN SER 5 7.078 15.752 -8.252
43 HA SER 5 HA SER 5 7.388 13.802 -9.226
44 HB2 SER 5 HB2 SER 5 9.581 14.900 -9.961
45 HB3 SER 5 HB1 SER 5 10.386 14.072 -8.573
46 HG SER 5 HG SER 5 10.241 13.084 -10.827
47 H ORN 6 HN ORN 6 10.258 12.773 -7.466
48 HA ORN 6 HA ORN 6 8.564 10.850 -6.048
49 HB2 ORN 6 HB1 ORN 6 11.369 10.853 -7.190
50 HB3 ORN 6 HB2 ORN 6 10.145 9.547 -7.209
51 HG2 ORN 6 HG1 ORN 6 11.557 10.303 -4.591
52 HG3 ORN 6 HG2 ORN 6 12.357 9.261 -5.806
53 HD2 ORN 6 HD2 ORN 6 9.529 8.458 -5.128
54 HD3 ORN 6 HD1 ORN 6 11.008 7.443 -5.366
55 H PHE 7 HN PHE 7 9.942 13.848 -5.638
56 HA PHE 7 HA PHE 7 11.341 14.722 -4.089
57 HB2 PHE 7 HB2 PHE 7 9.616 15.389 -2.230
58 HB3 PHE 7 HB1 PHE 7 9.348 15.924 -3.890
59 HD1 PHE 7 HD1 PHE 7 7.737 14.970 -1.105
60 HD2 PHE 7 HD2 PHE 7 7.962 13.933 -5.208
61 HE1 PHE 7 HE1 PHE 7 5.442 14.251 -1.070
62 HE2 PHE 7 HE2 PHE 7 5.679 13.192 -5.143
63 HZ PHE 7 HZ PHE 7 4.407 13.373 -3.051
64 H PHE 8 HN PHE 8 9.492 13.845 -1.439
65 HA PHE 8 HA PHE 8 11.577 12.012 -0.577
66 HB2 PHE 8 HB2 PHE 8 10.420 13.468 1.705
67 HB3 PHE 8 HB1 PHE 8 12.152 13.500 1.141
68 HD1 PHE 8 HD1 PHE 8 8.871 14.894 0.867
69 HD2 PHE 8 HD2 PHE 8 12.902 15.091 -0.344
70 HE1 PHE 8 HE1 PHE 8 8.403 16.903 -0.376
71 HE2 PHE 8 HE2 PHE 8 12.433 17.130 -1.548
72 HZ PHE 8 HZ PHE 8 10.140 17.955 -1.586
73 H ARG 9 HN ARG 9 8.718 12.121 -1.744
74 HA ARG 9 HA ARG 9 6.834 11.348 0.093
75 HB2 ARG 9 HB2 ARG 9 6.547 11.776 -2.452
76 HB3 ARG 9 HB1 ARG 9 7.123 10.102 -2.692
77 HG2 ARG 9 HG2 ARG 9 5.228 9.189 -1.452
78 HG3 ARG 9 HG1 ARG 9 4.698 10.831 -0.949
79 HD2 ARG 9 HD2 ARG 9 3.255 10.116 -2.811
80 HD3 ARG 9 HD1 ARG 9 4.384 11.385 -3.470
81 HE ARG 9 HE ARG 9 5.591 8.784 -3.803
82 HH11 ARG 9 HH11 ARG 9 2.887 10.804 -4.943
83 HH12 ARG 9 HH12 ARG 9 2.829 10.105 -6.526
84 HH21 ARG 9 HH21 ARG 9 5.514 7.833 -5.955
85 HH22 ARG 9 HH22 ARG 9 4.350 8.386 -7.111
86 H ASN 10 HN ASN 10 9.498 9.494 -1.392
87 HA ASN 10 HA ASN 10 8.552 6.956 -0.706
88 HB2 ASN 10 HB2 ASN 10 11.437 8.002 -0.975
89 HB3 ASN 10 HB1 ASN 10 10.987 6.258 -0.862
90 HD21 ASN 10 HD21 ASN 10 11.312 9.039 -2.951
91 H PHE 11 HN PHE 11 9.870 9.617 1.186
92 HA PHE 11 HA PHE 11 10.181 7.784 3.455
93 HB2 PHE 11 HB2 PHE 11 11.118 10.707 3.113
94 HB3 PHE 11 HB1 PHE 11 11.318 9.726 4.616
95 HD1 PHE 11 HD1 PHE 11 12.546 10.409 1.257
96 HD2 PHE 11 HD2 PHE 11 12.872 7.841 4.630
97 HE1 PHE 11 HE1 PHE 11 14.702 9.591 0.429
98 HE2 PHE 11 HE2 PHE 11 15.029 7.027 3.797
99 HZ PHE 11 HZ PHE 11 15.946 7.900 1.697
100 H ILE 12 HN ILE 12 9.230 11.329 3.108
101 HA ILE 12 HA ILE 12 6.609 10.764 3.874
102 HB ILE 12 HB ILE 12 6.527 12.216 5.794
103 HG12 ILE 12 HG12 ILE 12 9.023 12.519 6.879
104 HG13 ILE 12 HG11 ILE 12 9.416 12.618 5.127
105 HG21 ILE 12 HG21 ILE 12 7.415 10.695 7.491
106 HG22 ILE 12 HG22 ILE 12 8.572 9.977 6.308
107 HG23 ILE 12 HG23 ILE 12 6.795 9.722 6.105
108 HD11 ILE 12 HD11 ILE 12 8.515 14.714 4.947
109 HD12 ILE 12 HD12 ILE 12 8.411 14.732 6.750
110 HD13 ILE 12 HD13 ILE 12 6.983 14.214 5.769
111 H LEU 13 HN LEU 13 5.366 12.493 3.855
112 HA LEU 13 HA LEU 13 6.068 15.028 3.519
113 HB2 LEU 13 HB2 LEU 13 6.939 13.879 1.196
114 HB3 LEU 13 HB1 LEU 13 5.233 14.288 0.765
115 HG LEU 13 HG LEU 13 6.890 16.137 0.304
116 HD11 LEU 13 HD11 LEU 13 5.464 17.936 1.088
117 HD12 LEU 13 HD12 LEU 13 4.846 16.930 2.456
118 HD13 LEU 13 HD13 LEU 13 4.397 16.517 0.757
119 HD21 LEU 13 HD21 LEU 13 7.891 15.435 2.853
120 HD22 LEU 13 HD22 LEU 13 7.049 17.007 3.148
121 HD23 LEU 13 HD23 LEU 13 8.351 16.907 1.902
122 H GLN 14 HN GLN 14 4.443 14.034 5.038
123 HA GLN 14 HA GLN 14 1.857 14.564 3.801
124 HB2 GLN 14 HB2 GLN 14 2.531 12.482 5.945
125 HB3 GLN 14 HB1 GLN 14 0.855 13.073 5.641
126 HG2 GLN 14 HG2 GLN 14 1.050 12.357 3.243
127 HG3 GLN 14 HG1 GLN 14 2.692 11.670 3.600
128 HE21 GLN 14 HE21 GLN 14 2.352 9.459 3.495
129 HE22 GLN 14 HE22 GLN 14 1.194 8.593 4.446
130 H ARG 15 HN ARG 15 0.299 15.480 5.389
131 HA ARG 15 HA ARG 15 1.854 17.356 6.958
132 HB2 ARG 15 HB2 ARG 15 -0.943 17.317 5.791
133 HB3 ARG 15 HB1 ARG 15 -0.597 18.389 7.195
134 HG2 ARG 15 HG2 ARG 15 -0.331 19.490 4.906
135 HG3 ARG 15 HG1 ARG 15 1.090 19.621 5.993
136 HD2 ARG 15 HD2 ARG 15 1.777 19.095 3.614
137 HD3 ARG 15 HD1 ARG 15 2.241 17.738 4.729
138 HE ARG 15 HE ARG 15 0.639 16.353 3.637
139 HH11 ARG 15 HH11 ARG 15 0.217 19.783 2.730
140 HH12 ARG 15 HH12 ARG 15 -0.898 19.463 1.444
141 HH21 ARG 15 HH21 ARG 15 -0.874 15.930 1.884
142 HH22 ARG 15 HH22 ARG 15 -1.528 17.238 0.957
143 H LYS 16 HN LYS 16 0.865 14.348 7.579
144 HA LYS 16 HA LYS 16 -0.521 14.919 10.036
145 HB2 LYS 16 HB2 LYS 16 0.029 12.374 10.453
146 HB3 LYS 16 HB1 LYS 16 -1.221 12.796 9.236
147 HG2 LYS 16 HG2 LYS 16 0.124 12.196 7.425
148 HG3 LYS 16 HG1 LYS 16 1.658 12.531 8.303
149 HD2 LYS 16 HD2 LYS 16 -0.201 10.228 9.105
150 HD3 LYS 16 HD1 LYS 16 1.035 10.048 7.810
151 HE2 LYS 16 HE2 LYS 16 2.811 10.805 9.479
152 HE3 LYS 16 HE1 LYS 16 1.537 10.789 10.767
153 HZ1 LYS 16 HZ1 LYS 16 1.600 8.383 9.204
154 HZ2 LYS 16 HZ2 LYS 16 1.634 8.608 10.886
155 HZ3 LYS 16 HZ3 LYS 16 3.072 8.696 9.988
156 H LYS 17 HN LYS 17 2.645 14.775 8.758
157 HA LYS 17 HA LYS 17 4.057 13.931 11.006
158 HB2 LYS 17 HB2 LYS 17 4.607 15.093 8.357
159 HB3 LYS 17 HB1 LYS 17 5.610 15.908 9.609
160 HG2 LYS 17 HG2 LYS 17 6.820 14.012 8.650
161 HG3 LYS 17 HG1 LYS 17 6.461 13.709 10.381
162 HD2 LYS 17 HD2 LYS 17 6.125 11.692 8.913
163 HD3 LYS 17 HD1 LYS 17 4.651 12.173 9.817
164 HE2 LYS 17 HE2 LYS 17 3.593 13.071 7.836
165 HE3 LYS 17 HE1 LYS 17 5.152 13.071 6.900
166 HZ1 LYS 17 HZ1 LYS 17 5.139 10.622 7.170
167 HZ2 LYS 17 HZ2 LYS 17 3.845 11.228 6.252
168 HZ3 LYS 17 HZ3 LYS 17 3.587 10.722 7.852
Start of MODEL 5
1 H1 GLU 1 HT1 GLU 1 8.500 21.857 -12.711
2 H2 GLU 1 HT2 GLU 1 7.506 22.551 -11.521
3 H3 GLU 1 HT3 GLU 1 7.540 23.207 -13.088
4 HA GLU 1 HA GLU 1 5.580 21.776 -12.452
5 HB2 GLU 1 HB2 GLU 1 6.105 22.493 -14.796
6 HB3 GLU 1 HB1 GLU 1 7.267 21.130 -14.943
7 HG2 GLU 1 HG2 GLU 1 5.157 20.540 -16.093
8 HG3 GLU 1 HG1 GLU 1 5.343 19.491 -14.634
9 H MET 2 HN MET 2 5.326 20.073 -11.019
10 HA MET 2 HA MET 2 6.439 17.557 -11.830
11 HB2 MET 2 HB2 MET 2 7.263 17.081 -9.427
12 HB3 MET 2 HB1 MET 2 8.362 18.095 -10.449
13 HG2 MET 2 HG2 MET 2 7.430 20.161 -9.384
14 HG3 MET 2 HG1 MET 2 6.329 19.155 -8.390
15 HE1 MET 2 HE1 MET 2 8.027 21.339 -7.220
16 HE2 MET 2 HE2 MET 2 8.733 20.579 -5.753
17 HE3 MET 2 HE3 MET 2 7.034 20.224 -6.219
18 H ARG 3 HN ARG 3 5.756 15.829 -10.362
19 HA ARG 3 HA ARG 3 3.254 16.577 -9.161
20 HB2 ARG 3 HB2 ARG 3 2.331 14.456 -9.749
21 HB3 ARG 3 HB1 ARG 3 3.148 15.100 -11.220
22 HG2 ARG 3 HG2 ARG 3 5.248 13.784 -10.149
23 HG3 ARG 3 HG1 ARG 3 3.924 12.795 -9.436
24 HD2 ARG 3 HD2 ARG 3 3.995 13.507 -12.422
25 HD3 ARG 3 HD1 ARG 3 4.816 12.023 -11.760
26 HE ARG 3 HE ARG 3 2.131 12.071 -10.757
27 HH11 ARG 3 HH11 ARG 3 3.921 11.813 -13.825
28 HH12 ARG 3 HH12 ARG 3 2.734 10.830 -14.614
29 HH21 ARG 3 HH21 ARG 3 0.516 10.732 -11.827
30 HH22 ARG 3 HH22 ARG 3 0.763 10.205 -13.458
31 H LEU 4 HN LEU 4 6.144 16.445 -8.435
32 HA LEU 4 HA LEU 4 7.134 16.306 -6.448
33 HB2 LEU 4 HB2 LEU 4 5.060 14.315 -5.448
34 HB3 LEU 4 HB1 LEU 4 6.224 15.288 -4.472
35 HG LEU 4 HG LEU 4 3.788 16.348 -5.994
36 HD11 LEU 4 HD11 LEU 4 3.717 15.031 -3.629
37 HD12 LEU 4 HD12 LEU 4 2.662 16.458 -3.975
38 HD13 LEU 4 HD13 LEU 4 4.169 16.665 -3.004
39 HD21 LEU 4 HD21 LEU 4 4.373 18.571 -4.953
40 HD22 LEU 4 HD22 LEU 4 5.608 18.004 -6.146
41 HD23 LEU 4 HD23 LEU 4 5.931 17.864 -4.373
42 H SER 5 HN SER 5 5.660 13.612 -8.094
43 HA SER 5 HA SER 5 6.413 11.664 -8.719
44 HB2 SER 5 HB2 SER 5 8.345 13.022 -9.715
45 HB3 SER 5 HB1 SER 5 9.279 12.673 -8.210
46 HG SER 5 HG SER 5 8.800 11.132 -10.384
47 H ORN 6 HN ORN 6 9.423 11.268 -7.098
48 HA ORN 6 HA ORN 6 8.010 9.830 -4.961
49 HB2 ORN 6 HB1 ORN 6 10.976 9.481 -5.611
50 HB3 ORN 6 HB2 ORN 6 9.743 8.621 -6.597
51 HG2 ORN 6 HG1 ORN 6 9.269 7.119 -4.932
52 HG3 ORN 6 HG2 ORN 6 9.320 8.367 -3.642
53 HD2 ORN 6 HD2 ORN 6 11.309 6.359 -4.246
54 HD3 ORN 6 HD1 ORN 6 12.040 7.952 -4.686
55 H PHE 7 HN PHE 7 8.531 12.749 -5.204
56 HA PHE 7 HA PHE 7 10.258 14.164 -4.309
57 HB2 PHE 7 HB2 PHE 7 8.617 15.030 -2.425
58 HB3 PHE 7 HB1 PHE 7 8.117 15.103 -4.125
59 HD1 PHE 7 HD1 PHE 7 7.135 14.372 -0.943
60 HD2 PHE 7 HD2 PHE 7 6.818 12.875 -4.869
61 HE1 PHE 7 HE1 PHE 7 5.048 13.334 -0.368
62 HE2 PHE 7 HE2 PHE 7 4.702 11.845 -4.296
63 HZ PHE 7 HZ PHE 7 3.828 12.097 -2.017
64 H PHE 8 HN PHE 8 8.738 13.624 -1.309
65 HA PHE 8 HA PHE 8 11.203 12.473 -0.272
66 HB2 PHE 8 HB2 PHE 8 9.773 14.084 1.751
67 HB3 PHE 8 HB1 PHE 8 11.465 14.336 1.129
68 HD1 PHE 8 HD1 PHE 8 8.043 15.218 0.896
69 HD2 PHE 8 HD2 PHE 8 11.834 15.543 -0.881
70 HE1 PHE 8 HE1 PHE 8 7.137 16.764 -0.679
71 HE2 PHE 8 HE2 PHE 8 10.946 17.162 -2.436
72 HZ PHE 8 HZ PHE 8 8.571 17.695 -2.342
73 H ARG 9 HN ARG 9 8.380 11.785 -1.262
74 HA ARG 9 HA ARG 9 6.749 10.919 0.773
75 HB2 ARG 9 HB2 ARG 9 6.309 10.941 -1.793
76 HB3 ARG 9 HB1 ARG 9 7.186 9.387 -1.841
77 HG2 ARG 9 HG2 ARG 9 5.545 8.291 -0.451
78 HG3 ARG 9 HG1 ARG 9 4.767 9.850 -0.012
79 HD2 ARG 9 HD2 ARG 9 3.353 8.726 -1.695
80 HD3 ARG 9 HD1 ARG 9 4.152 10.144 -2.510
81 HE ARG 9 HE ARG 9 5.821 7.812 -2.824
82 HH11 ARG 9 HH11 ARG 9 2.684 9.183 -3.801
83 HH12 ARG 9 HH12 ARG 9 2.642 8.395 -5.342
84 HH21 ARG 9 HH21 ARG 9 5.769 6.739 -4.922
85 HH22 ARG 9 HH22 ARG 9 4.427 6.981 -5.990
86 H ASN 10 HN ASN 10 9.676 9.410 -0.657
87 HA ASN 10 HA ASN 10 9.237 6.866 0.386
88 HB2 ASN 10 HB2 ASN 10 11.843 8.373 -0.227
89 HB3 ASN 10 HB1 ASN 10 11.807 6.649 0.303
90 HD21 ASN 10 HD21 ASN 10 11.918 8.667 -2.414
91 H PHE 11 HN PHE 11 10.133 9.925 1.916
92 HA PHE 11 HA PHE 11 10.926 8.465 4.312
93 HB2 PHE 11 HB2 PHE 11 10.799 11.498 3.749
94 HB3 PHE 11 HB1 PHE 11 11.344 10.759 5.303
95 HD1 PHE 11 HD1 PHE 11 12.213 11.545 1.853
96 HD2 PHE 11 HD2 PHE 11 13.453 9.540 5.391
97 HE1 PHE 11 HE1 PHE 11 14.506 11.444 0.994
98 HE2 PHE 11 HE2 PHE 11 15.744 9.442 4.528
99 HZ PHE 11 HZ PHE 11 16.274 10.394 2.330
100 H ILE 12 HN ILE 12 8.735 11.311 3.544
101 HA ILE 12 HA ILE 12 6.433 10.034 4.371
102 HB ILE 12 HB ILE 12 6.180 11.856 6.363
103 HG12 ILE 12 HG12 ILE 12 8.121 11.510 7.941
104 HG13 ILE 12 HG11 ILE 12 9.066 10.810 6.587
105 HG21 ILE 12 HG21 ILE 12 5.754 9.223 6.110
106 HG22 ILE 12 HG22 ILE 12 5.832 9.992 7.740
107 HG23 ILE 12 HG23 ILE 12 7.260 9.101 7.094
108 HD11 ILE 12 HD11 ILE 12 9.326 13.398 7.205
109 HD12 ILE 12 HD12 ILE 12 7.802 13.585 6.264
110 HD13 ILE 12 HD13 ILE 12 9.271 12.903 5.472
111 H LEU 13 HN LEU 13 8.378 12.871 3.818
112 HA LEU 13 HA LEU 13 7.972 14.624 2.632
113 HB2 LEU 13 HB2 LEU 13 6.489 14.294 0.938
114 HB3 LEU 13 HB1 LEU 13 5.687 13.001 1.883
115 HG LEU 13 HG LEU 13 4.985 15.790 2.710
116 HD11 LEU 13 HD11 LEU 13 3.669 14.869 0.143
117 HD12 LEU 13 HD12 LEU 13 5.285 15.676 0.040
118 HD13 LEU 13 HD13 LEU 13 3.891 16.530 0.807
119 HD21 LEU 13 HD21 LEU 13 3.804 14.015 3.753
120 HD22 LEU 13 HD22 LEU 13 3.596 13.115 2.206
121 HD23 LEU 13 HD23 LEU 13 2.650 14.629 2.500
122 H GLN 14 HN GLN 14 5.720 13.720 5.219
123 HA GLN 14 HA GLN 14 5.251 14.688 7.097
124 HB2 GLN 14 HB2 GLN 14 6.779 15.998 8.152
125 HB3 GLN 14 HB1 GLN 14 7.760 15.689 6.682
126 HG2 GLN 14 HG2 GLN 14 6.673 17.817 5.682
127 HG3 GLN 14 HG1 GLN 14 6.083 18.171 7.351
128 HE21 GLN 14 HE21 GLN 14 8.269 19.423 5.510
129 HE22 GLN 14 HE22 GLN 14 9.668 19.505 6.524
130 H ARG 15 HN ARG 15 4.608 16.251 4.093
131 HA ARG 15 HA ARG 15 3.224 18.436 5.256
132 HB2 ARG 15 HB2 ARG 15 2.763 17.200 2.489
133 HB3 ARG 15 HB1 ARG 15 2.210 18.821 3.031
134 HG2 ARG 15 HG2 ARG 15 4.972 17.888 2.199
135 HG3 ARG 15 HG1 ARG 15 4.102 19.410 1.815
136 HD2 ARG 15 HD2 ARG 15 4.469 20.077 4.322
137 HD3 ARG 15 HD1 ARG 15 5.623 18.671 4.392
138 HE ARG 15 HE ARG 15 7.085 19.818 2.878
139 HH11 ARG 15 HH11 ARG 15 4.051 21.604 3.473
140 HH12 ARG 15 HH12 ARG 15 4.607 23.082 2.763
141 HH21 ARG 15 HH21 ARG 15 7.830 21.828 1.915
142 HH22 ARG 15 HH22 ARG 15 6.789 23.211 1.861
143 H LYS 16 HN LYS 16 2.448 15.135 4.273
144 HA LYS 16 HA LYS 16 -0.344 15.546 4.851
145 HB2 LYS 16 HB2 LYS 16 0.184 14.081 2.956
146 HB3 LYS 16 HB1 LYS 16 1.316 13.131 3.971
147 HG2 LYS 16 HG2 LYS 16 -0.483 12.132 5.232
148 HG3 LYS 16 HG1 LYS 16 -1.692 13.294 4.575
149 HD2 LYS 16 HD2 LYS 16 -1.930 11.115 3.451
150 HD3 LYS 16 HD1 LYS 16 -1.346 12.345 2.279
151 HE2 LYS 16 HE2 LYS 16 -0.033 10.336 1.880
152 HE3 LYS 16 HE1 LYS 16 1.063 11.476 2.772
153 HZ1 LYS 16 HZ1 LYS 16 1.200 10.065 4.427
154 HZ2 LYS 16 HZ2 LYS 16 0.422 8.909 3.456
155 HZ3 LYS 16 HZ3 LYS 16 -0.480 9.854 4.541
156 H LYS 17 HN LYS 17 2.593 14.679 6.437
157 HA LYS 17 HA LYS 17 1.136 13.230 8.509
158 HB2 LYS 17 HB2 LYS 17 4.148 13.819 8.291
159 HB3 LYS 17 HB1 LYS 17 3.367 12.747 9.504
160 HG2 LYS 17 HG2 LYS 17 3.390 12.288 6.457
161 HG3 LYS 17 HG1 LYS 17 4.472 11.483 7.648
162 HD2 LYS 17 HD2 LYS 17 2.468 10.490 8.787
163 HD3 LYS 17 HD1 LYS 17 1.391 11.293 7.594
164 HE2 LYS 17 HE2 LYS 17 2.454 9.978 5.737
165 HE3 LYS 17 HE1 LYS 17 3.543 9.167 6.942
166 HZ1 LYS 17 HZ1 LYS 17 0.618 9.134 7.317
167 HZ2 LYS 17 HZ2 LYS 17 1.801 8.040 7.853
168 HZ3 LYS 17 HZ3 LYS 17 1.352 8.068 6.216
Start of MODEL 6
1 H1 GLU 1 HT1 GLU 1 7.268 16.304 -15.288
2 H2 GLU 1 HT2 GLU 1 6.795 17.779 -14.590
3 H3 GLU 1 HT3 GLU 1 6.527 17.497 -16.244
4 HA GLU 1 HA GLU 1 4.490 16.980 -15.608
5 HB2 GLU 1 HB2 GLU 1 5.619 14.794 -16.299
6 HB3 GLU 1 HB1 GLU 1 5.897 14.458 -14.554
7 HG2 GLU 1 HG2 GLU 1 3.424 14.448 -14.136
8 HG3 GLU 1 HG1 GLU 1 3.122 14.828 -15.879
9 H MET 2 HN MET 2 6.806 16.343 -12.915
10 HA MET 2 HA MET 2 4.677 17.244 -11.116
11 HB2 MET 2 HB2 MET 2 6.646 14.951 -10.611
12 HB3 MET 2 HB1 MET 2 5.658 15.738 -9.333
13 HG2 MET 2 HG2 MET 2 3.571 15.017 -10.447
14 HG3 MET 2 HG1 MET 2 4.501 14.318 -11.808
15 HE1 MET 2 HE1 MET 2 3.852 12.845 -7.512
16 HE2 MET 2 HE2 MET 2 3.484 14.428 -8.278
17 HE3 MET 2 HE3 MET 2 5.154 14.068 -7.718
18 H ARG 3 HN ARG 3 5.497 18.162 -9.125
19 HA ARG 3 HA ARG 3 8.012 19.433 -9.671
20 HB2 ARG 3 HB2 ARG 3 6.090 20.924 -9.233
21 HB3 ARG 3 HB1 ARG 3 5.838 20.063 -7.674
22 HG2 ARG 3 HG2 ARG 3 7.933 20.870 -6.771
23 HG3 ARG 3 HG1 ARG 3 8.458 21.509 -8.369
24 HD2 ARG 3 HD2 ARG 3 5.959 22.531 -6.881
25 HD3 ARG 3 HD1 ARG 3 7.604 23.292 -6.742
26 HE ARG 3 HE ARG 3 6.989 23.023 -9.526
27 HH11 ARG 3 HH11 ARG 3 5.870 24.720 -6.601
28 HH12 ARG 3 HH12 ARG 3 5.267 26.105 -7.447
29 HH21 ARG 3 HH21 ARG 3 6.174 24.907 -10.678
30 HH22 ARG 3 HH22 ARG 3 5.443 26.213 -9.807
31 H LEU 4 HN LEU 4 6.213 17.973 -7.036
32 HA LEU 4 HA LEU 4 8.447 17.792 -5.358
33 HB2 LEU 4 HB2 LEU 4 6.200 15.773 -5.221
34 HB3 LEU 4 HB1 LEU 4 7.022 16.632 -3.861
35 HG LEU 4 HG LEU 4 5.819 18.773 -4.779
36 HD11 LEU 4 HD11 LEU 4 4.727 16.727 -6.620
37 HD12 LEU 4 HD12 LEU 4 4.533 18.525 -6.650
38 HD13 LEU 4 HD13 LEU 4 3.410 17.510 -5.667
39 HD21 LEU 4 HD21 LEU 4 5.253 17.854 -2.613
40 HD22 LEU 4 HD22 LEU 4 4.391 16.445 -3.348
41 HD23 LEU 4 HD23 LEU 4 3.692 18.108 -3.483
42 H SER 5 HN SER 5 6.972 15.877 -7.920
43 HA SER 5 HA SER 5 7.575 14.002 -8.913
44 HB2 SER 5 HB2 SER 5 9.793 15.267 -9.250
45 HB3 SER 5 HB1 SER 5 10.416 14.405 -7.791
46 HG SER 5 HG SER 5 10.596 13.557 -10.149
47 H ORN 6 HN ORN 6 10.219 12.863 -6.965
48 HA ORN 6 HA ORN 6 8.304 11.115 -5.582
49 HB2 ORN 6 HB1 ORN 6 11.307 10.600 -5.649
50 HB3 ORN 6 HB2 ORN 6 10.328 10.207 -7.105
51 HG2 ORN 6 HG1 ORN 6 9.218 8.450 -6.069
52 HG3 ORN 6 HG2 ORN 6 9.270 9.215 -4.446
53 HD2 ORN 6 HD2 ORN 6 10.915 7.088 -5.371
54 HD3 ORN 6 HD1 ORN 6 12.001 8.533 -5.428
55 H PHE 7 HN PHE 7 9.360 13.988 -5.052
56 HA PHE 7 HA PHE 7 10.829 14.935 -3.530
57 HB2 PHE 7 HB2 PHE 7 8.988 15.404 -1.664
58 HB3 PHE 7 HB1 PHE 7 8.786 16.026 -3.307
59 HD1 PHE 7 HD1 PHE 7 7.094 14.790 -0.689
60 HD2 PHE 7 HD2 PHE 7 7.570 14.054 -4.829
61 HE1 PHE 7 HE1 PHE 7 4.841 13.954 -0.817
62 HE2 PHE 7 HE2 PHE 7 5.319 13.206 -4.936
63 HZ PHE 7 HZ PHE 7 3.952 13.166 -2.904
64 H PHE 8 HN PHE 8 8.935 13.806 -0.953
65 HA PHE 8 HA PHE 8 11.158 12.151 -0.074
66 HB2 PHE 8 HB2 PHE 8 9.806 13.362 2.229
67 HB3 PHE 8 HB1 PHE 8 11.533 13.617 1.713
68 HD1 PHE 8 HD1 PHE 8 8.119 14.679 1.415
69 HD2 PHE 8 HD2 PHE 8 12.138 15.345 0.335
70 HE1 PHE 8 HE1 PHE 8 7.471 16.680 0.241
71 HE2 PHE 8 HE2 PHE 8 11.491 17.378 -0.790
72 HZ PHE 8 HZ PHE 8 9.134 17.965 -0.867
73 H ARG 9 HN ARG 9 8.276 12.098 -1.311
74 HA ARG 9 HA ARG 9 6.510 11.013 0.502
75 HB2 ARG 9 HB2 ARG 9 6.086 11.669 -1.972
76 HB3 ARG 9 HB1 ARG 9 6.785 10.079 -2.402
77 HG2 ARG 9 HG2 ARG 9 5.030 8.897 -1.171
78 HG3 ARG 9 HG1 ARG 9 4.380 10.444 -0.523
79 HD2 ARG 9 HD2 ARG 9 3.794 11.181 -2.870
80 HD3 ARG 9 HD1 ARG 9 4.406 9.590 -3.505
81 HE ARG 9 HE ARG 9 1.893 10.046 -1.993
82 HH11 ARG 9 HH11 ARG 9 4.381 7.742 -3.100
83 HH12 ARG 9 HH12 ARG 9 3.352 6.353 -3.009
84 HH21 ARG 9 HH21 ARG 9 0.501 8.155 -1.867
85 HH22 ARG 9 HH22 ARG 9 1.110 6.593 -2.295
86 H ASN 10 HN ASN 10 9.290 9.559 -1.207
87 HA ASN 10 HA ASN 10 8.592 6.895 -0.729
88 HB2 ASN 10 HB2 ASN 10 11.347 8.243 -0.980
89 HB3 ASN 10 HB1 ASN 10 11.120 6.458 -0.879
90 HD21 ASN 10 HD21 ASN 10 11.917 8.699 -3.068
91 H PHE 11 HN PHE 11 9.721 9.494 1.372
92 HA PHE 11 HA PHE 11 10.191 7.502 3.473
93 HB2 PHE 11 HB2 PHE 11 10.995 10.479 3.360
94 HB3 PHE 11 HB1 PHE 11 11.289 9.375 4.759
95 HD1 PHE 11 HD1 PHE 11 12.395 10.449 1.471
96 HD2 PHE 11 HD2 PHE 11 12.890 7.527 4.520
97 HE1 PHE 11 HE1 PHE 11 14.551 9.799 0.504
98 HE2 PHE 11 HE2 PHE 11 15.045 6.883 3.550
99 HZ PHE 11 HZ PHE 11 15.877 8.017 1.541
100 H ILE 12 HN ILE 12 9.040 11.006 3.373
101 HA ILE 12 HA ILE 12 6.496 10.205 4.257
102 HB ILE 12 HB ILE 12 7.740 12.237 6.072
103 HG12 ILE 12 HG12 ILE 12 7.848 10.255 7.800
104 HG13 ILE 12 HG11 ILE 12 8.068 9.230 6.344
105 HG21 ILE 12 HG21 ILE 12 5.345 12.166 6.160
106 HG22 ILE 12 HG22 ILE 12 5.830 11.141 7.563
107 HG23 ILE 12 HG23 ILE 12 5.291 10.366 6.027
108 HD11 ILE 12 HD11 ILE 12 9.896 11.251 5.801
109 HD12 ILE 12 HD12 ILE 12 10.315 9.722 6.672
110 HD13 ILE 12 HD13 ILE 12 9.951 11.222 7.608
111 H LEU 13 HN LEU 13 5.109 11.437 3.816
112 HA LEU 13 HA LEU 13 5.280 14.137 3.759
113 HB2 LEU 13 HB2 LEU 13 6.593 13.439 1.539
114 HB3 LEU 13 HB1 LEU 13 4.903 13.262 0.920
115 HG LEU 13 HG LEU 13 5.809 15.584 0.578
116 HD11 LEU 13 HD11 LEU 13 3.836 16.801 1.370
117 HD12 LEU 13 HD12 LEU 13 3.522 15.578 2.662
118 HD13 LEU 13 HD13 LEU 13 3.309 15.134 0.927
119 HD21 LEU 13 HD21 LEU 13 6.899 15.193 3.163
120 HD22 LEU 13 HD22 LEU 13 5.592 16.413 3.425
121 HD23 LEU 13 HD23 LEU 13 6.898 16.741 2.226
122 H GLN 14 HN GLN 14 3.759 12.918 5.109
123 HA GLN 14 HA GLN 14 1.371 12.264 3.631
124 HB2 GLN 14 HB2 GLN 14 2.412 11.620 6.351
125 HB3 GLN 14 HB1 GLN 14 0.699 12.157 6.378
126 HG2 GLN 14 HG2 GLN 14 0.011 10.427 4.829
127 HG3 GLN 14 HG1 GLN 14 1.728 9.949 4.503
128 HE21 GLN 14 HE21 GLN 14 0.274 7.876 5.321
129 HE22 GLN 14 HE22 GLN 14 0.519 7.491 6.990
130 H ARG 15 HN ARG 15 0.904 13.726 6.777
131 HA ARG 15 HA ARG 15 0.250 16.198 5.363
132 HB2 ARG 15 HB2 ARG 15 -1.369 14.622 7.418
133 HB3 ARG 15 HB1 ARG 15 -1.645 16.382 7.162
134 HG2 ARG 15 HG2 ARG 15 -3.234 14.891 5.868
135 HG3 ARG 15 HG1 ARG 15 -2.305 16.041 4.846
136 HD2 ARG 15 HD2 ARG 15 -1.039 14.321 3.806
137 HD3 ARG 15 HD1 ARG 15 -1.158 13.216 5.247
138 HE ARG 15 HE ARG 15 -3.206 12.400 4.400
139 HH11 ARG 15 HH11 ARG 15 -2.256 15.405 2.731
140 HH12 ARG 15 HH12 ARG 15 -3.480 15.296 1.511
141 HH21 ARG 15 HH21 ARG 15 -4.868 12.254 2.739
142 HH22 ARG 15 HH22 ARG 15 -4.989 13.473 1.516
143 H LYS 16 HN LYS 16 1.516 14.539 8.192
144 HA LYS 16 HA LYS 16 1.735 16.835 9.799
145 HB2 LYS 16 HB2 LYS 16 1.967 14.427 10.639
146 HB3 LYS 16 HB1 LYS 16 3.534 14.355 9.759
147 HG2 LYS 16 HG2 LYS 16 4.516 16.063 11.183
148 HG3 LYS 16 HG1 LYS 16 2.927 16.430 11.946
149 HD2 LYS 16 HD2 LYS 16 4.319 15.025 13.440
150 HD3 LYS 16 HD1 LYS 16 2.844 14.137 12.916
151 HE2 LYS 16 HE2 LYS 16 4.175 12.902 11.192
152 HE3 LYS 16 HE1 LYS 16 5.665 13.814 11.683
153 HZ1 LYS 16 HZ1 LYS 16 4.623 11.488 12.780
154 HZ2 LYS 16 HZ2 LYS 16 4.432 12.697 13.958
155 HZ3 LYS 16 HZ3 LYS 16 5.966 12.390 13.297
156 H LYS 17 HN LYS 17 3.644 15.256 7.300
157 HA LYS 17 HA LYS 17 5.802 17.153 7.687
158 HB2 LYS 17 HB2 LYS 17 5.402 14.660 5.959
159 HB3 LYS 17 HB1 LYS 17 6.716 15.827 5.576
160 HG2 LYS 17 HG2 LYS 17 6.435 14.717 8.410
161 HG3 LYS 17 HG1 LYS 17 7.202 13.721 7.129
162 HD2 LYS 17 HD2 LYS 17 9.042 14.820 8.096
163 HD3 LYS 17 HD1 LYS 17 8.684 15.854 6.670
164 HE2 LYS 17 HE2 LYS 17 7.864 17.622 7.975
165 HE3 LYS 17 HE1 LYS 17 7.320 16.527 9.318
166 HZ1 LYS 17 HZ1 LYS 17 9.355 17.976 9.669
167 HZ2 LYS 17 HZ2 LYS 17 10.188 16.895 8.658
168 HZ3 LYS 17 HZ3 LYS 17 9.475 16.337 10.095
Start of MODEL 7
1 H1 GLU 1 HT1 GLU 1 5.953 18.133 -15.081
2 H2 GLU 1 HT2 GLU 1 5.293 18.078 -16.646
3 H3 GLU 1 HT3 GLU 1 6.353 16.856 -16.129
4 HA GLU 1 HA GLU 1 3.541 17.176 -15.696
5 HB2 GLU 1 HB2 GLU 1 4.646 15.248 -16.903
6 HB3 GLU 1 HB1 GLU 1 5.464 14.799 -15.364
7 HG2 GLU 1 HG2 GLU 1 3.244 14.360 -14.284
8 HG3 GLU 1 HG1 GLU 1 2.399 14.848 -15.806
9 H MET 2 HN MET 2 6.465 16.511 -13.677
10 HA MET 2 HA MET 2 4.750 17.003 -11.358
11 HB2 MET 2 HB2 MET 2 6.878 14.812 -11.621
12 HB3 MET 2 HB1 MET 2 6.222 15.386 -10.049
13 HG2 MET 2 HG2 MET 2 3.943 14.678 -10.697
14 HG3 MET 2 HG1 MET 2 4.528 14.179 -12.316
15 HE1 MET 2 HE1 MET 2 2.780 12.527 -10.310
16 HE2 MET 2 HE2 MET 2 3.476 10.882 -10.510
17 HE3 MET 2 HE3 MET 2 3.272 11.951 -11.940
18 H ARG 3 HN ARG 3 5.946 17.745 -9.483
19 HA ARG 3 HA ARG 3 8.379 19.047 -10.339
20 HB2 ARG 3 HB2 ARG 3 6.577 20.685 -9.885
21 HB3 ARG 3 HB1 ARG 3 6.316 19.898 -8.290
22 HG2 ARG 3 HG2 ARG 3 8.479 20.621 -7.467
23 HG3 ARG 3 HG1 ARG 3 8.988 21.180 -9.101
24 HD2 ARG 3 HD2 ARG 3 7.270 22.985 -9.055
25 HD3 ARG 3 HD1 ARG 3 6.662 22.388 -7.451
26 HE ARG 3 HE ARG 3 8.563 23.348 -6.411
27 HH11 ARG 3 HH11 ARG 3 8.928 23.283 -9.957
28 HH12 ARG 3 HH12 ARG 3 10.349 24.274 -9.982
29 HH21 ARG 3 HH21 ARG 3 10.492 24.694 -6.448
30 HH22 ARG 3 HH22 ARG 3 11.252 25.088 -7.954
31 H LEU 4 HN LEU 4 6.622 17.837 -7.558
32 HA LEU 4 HA LEU 4 8.927 17.584 -5.979
33 HB2 LEU 4 HB2 LEU 4 6.543 15.766 -5.597
34 HB3 LEU 4 HB1 LEU 4 7.484 16.663 -4.343
35 HG LEU 4 HG LEU 4 6.388 18.808 -5.394
36 HD11 LEU 4 HD11 LEU 4 5.073 16.695 -6.992
37 HD12 LEU 4 HD12 LEU 4 4.982 18.494 -7.165
38 HD13 LEU 4 HD13 LEU 4 3.857 17.634 -6.044
39 HD21 LEU 4 HD21 LEU 4 4.887 16.723 -3.692
40 HD22 LEU 4 HD22 LEU 4 4.301 18.416 -3.939
41 HD23 LEU 4 HD23 LEU 4 5.886 18.120 -3.127
42 H SER 5 HN SER 5 7.133 15.658 -8.322
43 HA SER 5 HA SER 5 7.493 13.679 -9.227
44 HB2 SER 5 HB2 SER 5 10.413 14.192 -8.400
45 HB3 SER 5 HB1 SER 5 9.897 12.788 -9.418
46 HG SER 5 HG SER 5 9.866 15.545 -9.968
47 H ORN 6 HN ORN 6 10.193 12.567 -7.282
48 HA ORN 6 HA ORN 6 8.266 10.947 -5.762
49 HB2 ORN 6 HB1 ORN 6 11.251 10.329 -5.987
50 HB3 ORN 6 HB2 ORN 6 10.138 9.841 -7.312
51 HG2 ORN 6 HG1 ORN 6 9.138 8.180 -6.057
52 HG3 ORN 6 HG2 ORN 6 9.255 9.102 -4.521
53 HD2 ORN 6 HD2 ORN 6 10.903 6.912 -5.359
54 HD3 ORN 6 HD1 ORN 6 11.956 8.375 -5.496
55 H PHE 7 HN PHE 7 9.605 13.789 -5.484
56 HA PHE 7 HA PHE 7 11.165 14.720 -4.077
57 HB2 PHE 7 HB2 PHE 7 9.470 15.418 -2.156
58 HB3 PHE 7 HB1 PHE 7 9.212 15.955 -3.818
59 HD1 PHE 7 HD1 PHE 7 7.593 14.969 -1.030
60 HD2 PHE 7 HD2 PHE 7 7.786 14.011 -5.154
61 HE1 PHE 7 HE1 PHE 7 5.294 14.275 -0.999
62 HE2 PHE 7 HE2 PHE 7 5.491 13.292 -5.090
63 HZ PHE 7 HZ PHE 7 4.240 13.445 -2.989
64 H PHE 8 HN PHE 8 9.348 13.878 -1.355
65 HA PHE 8 HA PHE 8 11.506 12.143 -0.465
66 HB2 PHE 8 HB2 PHE 8 10.253 13.581 1.786
67 HB3 PHE 8 HB1 PHE 8 11.994 13.661 1.255
68 HD1 PHE 8 HD1 PHE 8 8.687 14.955 0.927
69 HD2 PHE 8 HD2 PHE 8 12.715 15.247 -0.267
70 HE1 PHE 8 HE1 PHE 8 8.166 16.938 -0.341
71 HE2 PHE 8 HE2 PHE 8 12.197 17.257 -1.500
72 HZ PHE 8 HZ PHE 8 9.883 18.019 -1.558
73 H ARG 9 HN ARG 9 8.613 12.180 -1.630
74 HA ARG 9 HA ARG 9 6.802 11.294 0.234
75 HB2 ARG 9 HB2 ARG 9 6.407 11.830 -2.270
76 HB3 ARG 9 HB1 ARG 9 7.030 10.189 -2.616
77 HG2 ARG 9 HG2 ARG 9 5.211 9.145 -1.379
78 HG3 ARG 9 HG1 ARG 9 4.659 10.734 -0.740
79 HD2 ARG 9 HD2 ARG 9 4.062 11.475 -3.077
80 HD3 ARG 9 HD1 ARG 9 4.605 9.860 -3.715
81 HE ARG 9 HE ARG 9 2.745 9.295 -1.654
82 HH11 ARG 9 HH11 ARG 9 2.857 11.070 -4.740
83 HH12 ARG 9 HH12 ARG 9 1.187 10.816 -5.124
84 HH21 ARG 9 HH21 ARG 9 0.475 8.948 -2.175
85 HH22 ARG 9 HH22 ARG 9 -0.190 9.588 -3.640
86 H ASN 10 HN ASN 10 9.496 9.577 -1.374
87 HA ASN 10 HA ASN 10 8.641 6.993 -0.753
88 HB2 ASN 10 HB2 ASN 10 11.470 8.166 -1.044
89 HB3 ASN 10 HB1 ASN 10 11.146 6.407 -0.822
90 HD21 ASN 10 HD21 ASN 10 11.812 8.728 -3.143
91 H PHE 11 HN PHE 11 9.956 9.631 1.203
92 HA PHE 11 HA PHE 11 10.256 7.753 3.432
93 HB2 PHE 11 HB2 PHE 11 11.133 10.702 3.177
94 HB3 PHE 11 HB1 PHE 11 11.352 9.681 4.649
95 HD1 PHE 11 HD1 PHE 11 12.566 10.482 1.309
96 HD2 PHE 11 HD2 PHE 11 12.952 7.838 4.616
97 HE1 PHE 11 HE1 PHE 11 14.739 9.733 0.459
98 HE2 PHE 11 HE2 PHE 11 15.125 7.092 3.762
99 HZ PHE 11 HZ PHE 11 16.021 8.039 1.685
100 H ILE 12 HN ILE 12 9.235 11.290 3.191
101 HA ILE 12 HA ILE 12 6.623 10.628 3.907
102 HB ILE 12 HB ILE 12 6.425 11.919 5.877
103 HG12 ILE 12 HG12 ILE 12 8.776 12.594 7.017
104 HG13 ILE 12 HG11 ILE 12 9.275 12.698 5.288
105 HG21 ILE 12 HG21 ILE 12 7.625 10.517 7.534
106 HG22 ILE 12 HG22 ILE 12 8.765 9.952 6.258
107 HG23 ILE 12 HG23 ILE 12 7.019 9.501 6.173
108 HD11 ILE 12 HD11 ILE 12 7.979 14.733 6.767
109 HD12 ILE 12 HD12 ILE 12 6.632 14.024 5.795
110 HD13 ILE 12 HD13 ILE 12 8.110 14.657 4.968
111 H LEU 13 HN LEU 13 5.302 12.279 3.854
112 HA LEU 13 HA LEU 13 5.950 14.846 3.594
113 HB2 LEU 13 HB2 LEU 13 6.864 13.788 1.262
114 HB3 LEU 13 HB1 LEU 13 5.142 14.132 0.825
115 HG LEU 13 HG LEU 13 6.724 16.064 0.415
116 HD11 LEU 13 HD11 LEU 13 4.626 16.721 2.564
117 HD12 LEU 13 HD12 LEU 13 4.210 16.322 0.854
118 HD13 LEU 13 HD13 LEU 13 5.210 17.780 1.223
119 HD21 LEU 13 HD21 LEU 13 8.134 16.860 2.042
120 HD22 LEU 13 HD22 LEU 13 7.726 15.352 2.964
121 HD23 LEU 13 HD23 LEU 13 6.816 16.882 3.278
122 H GLN 14 HN GLN 14 4.363 13.845 5.095
123 HA GLN 14 HA GLN 14 1.746 14.327 3.887
124 HB2 GLN 14 HB2 GLN 14 2.493 12.416 6.168
125 HB3 GLN 14 HB1 GLN 14 0.805 12.962 5.855
126 HG2 GLN 14 HG2 GLN 14 0.942 12.053 3.529
127 HG3 GLN 14 HG1 GLN 14 2.614 11.444 3.874
128 HE21 GLN 14 HE21 GLN 14 2.274 9.216 3.879
129 HE22 GLN 14 HE22 GLN 14 1.208 8.396 4.969
130 H ARG 15 HN ARG 15 0.261 15.465 5.358
131 HA ARG 15 HA ARG 15 1.875 17.387 6.782
132 HB2 ARG 15 HB2 ARG 15 -1.161 17.485 6.645
133 HB3 ARG 15 HB1 ARG 15 0.010 18.847 6.757
134 HG2 ARG 15 HG2 ARG 15 -0.780 17.173 4.324
135 HG3 ARG 15 HG1 ARG 15 -0.746 18.955 4.514
136 HD2 ARG 15 HD2 ARG 15 1.392 19.054 3.640
137 HD3 ARG 15 HD1 ARG 15 2.011 17.826 4.825
138 HE ARG 15 HE ARG 15 1.499 16.073 3.245
139 HH11 ARG 15 HH11 ARG 15 0.524 19.315 2.100
140 HH12 ARG 15 HH12 ARG 15 0.376 18.846 0.438
141 HH21 ARG 15 HH21 ARG 15 1.303 15.451 0.993
142 HH22 ARG 15 HH22 ARG 15 0.826 16.612 -0.201
143 H LYS 16 HN LYS 16 0.733 14.411 7.501
144 HA LYS 16 HA LYS 16 -0.445 14.840 10.008
145 HB2 LYS 16 HB2 LYS 16 -0.608 12.644 8.839
146 HB3 LYS 16 HB1 LYS 16 1.181 12.491 8.895
147 HG2 LYS 16 HG2 LYS 16 1.167 12.280 11.324
148 HG3 LYS 16 HG1 LYS 16 -0.589 12.674 11.405
149 HD2 LYS 16 HD2 LYS 16 -0.256 10.244 11.641
150 HD3 LYS 16 HD1 LYS 16 -1.106 10.599 10.095
151 HE2 LYS 16 HE2 LYS 16 1.042 10.352 8.832
152 HE3 LYS 16 HE1 LYS 16 1.923 10.033 10.386
153 HZ1 LYS 16 HZ1 LYS 16 0.271 8.302 8.800
154 HZ2 LYS 16 HZ2 LYS 16 -0.148 8.286 10.446
155 HZ3 LYS 16 HZ3 LYS 16 1.446 7.938 9.972
156 H LYS 17 HN LYS 17 2.827 14.512 8.727
157 HA LYS 17 HA LYS 17 4.106 14.415 11.244
158 HB2 LYS 17 HB2 LYS 17 4.916 14.679 8.358
159 HB3 LYS 17 HB1 LYS 17 6.008 15.510 9.519
160 HG2 LYS 17 HG2 LYS 17 7.001 13.552 10.006
161 HG3 LYS 17 HG1 LYS 17 5.446 12.932 10.662
162 HD2 LYS 17 HD2 LYS 17 6.683 12.567 7.905
163 HD3 LYS 17 HD1 LYS 17 6.081 11.327 9.048
164 HE2 LYS 17 HE2 LYS 17 3.706 12.595 8.553
165 HE3 LYS 17 HE1 LYS 17 4.571 12.996 6.999
166 HZ1 LYS 17 HZ1 LYS 17 3.761 10.995 6.474
167 HZ2 LYS 17 HZ2 LYS 17 3.681 10.429 8.072
168 HZ3 LYS 17 HZ3 LYS 17 5.165 10.433 7.245
Start of MODEL 8
1 H1 GLU 1 HT1 GLU 1 2.845 15.606 -15.071
2 H2 GLU 1 HT2 GLU 1 4.190 14.604 -14.800
3 H3 GLU 1 HT3 GLU 1 3.893 15.225 -16.353
4 HA GLU 1 HA GLU 1 5.696 16.337 -15.112
5 HB2 GLU 1 HB2 GLU 1 4.488 17.421 -17.029
6 HB3 GLU 1 HB1 GLU 1 3.235 18.013 -15.887
7 HG2 GLU 1 HG2 GLU 1 4.789 19.859 -16.424
8 HG3 GLU 1 HG1 GLU 1 5.014 19.393 -14.693
9 H MET 2 HN MET 2 5.880 15.854 -12.841
10 HA MET 2 HA MET 2 4.377 17.769 -11.203
11 HB2 MET 2 HB2 MET 2 5.118 14.900 -10.413
12 HB3 MET 2 HB1 MET 2 4.406 16.131 -9.320
13 HG2 MET 2 HG2 MET 2 3.071 14.887 -11.801
14 HG3 MET 2 HG1 MET 2 2.699 14.507 -10.091
15 HE1 MET 2 HE1 MET 2 0.787 17.123 -8.564
16 HE2 MET 2 HE2 MET 2 2.506 17.646 -8.620
17 HE3 MET 2 HE3 MET 2 2.103 15.904 -8.438
18 H ARG 3 HN ARG 3 5.464 18.334 -9.223
19 HA ARG 3 HA ARG 3 8.292 18.283 -9.674
20 HB2 ARG 3 HB2 ARG 3 7.129 20.457 -9.151
21 HB3 ARG 3 HB1 ARG 3 6.664 19.717 -7.582
22 HG2 ARG 3 HG2 ARG 3 8.956 19.575 -6.838
23 HG3 ARG 3 HG1 ARG 3 9.587 20.009 -8.466
24 HD2 ARG 3 HD2 ARG 3 8.611 22.305 -8.255
25 HD3 ARG 3 HD1 ARG 3 7.923 21.869 -6.632
26 HE ARG 3 HE ARG 3 10.100 22.032 -5.704
27 HH11 ARG 3 HH11 ARG 3 10.211 22.059 -9.270
28 HH12 ARG 3 HH12 ARG 3 11.886 22.490 -9.365
29 HH21 ARG 3 HH21 ARG 3 12.372 22.619 -5.840
30 HH22 ARG 3 HH22 ARG 3 13.134 22.812 -7.382
31 H LEU 4 HN LEU 4 6.024 17.939 -7.004
32 HA LEU 4 HA LEU 4 7.931 16.367 -5.602
33 HB2 LEU 4 HB2 LEU 4 5.488 15.906 -4.349
34 HB3 LEU 4 HB1 LEU 4 6.688 17.144 -3.849
35 HG LEU 4 HG LEU 4 5.540 18.802 -5.372
36 HD11 LEU 4 HD11 LEU 4 3.699 16.396 -5.864
37 HD12 LEU 4 HD12 LEU 4 4.392 17.567 -7.058
38 HD13 LEU 4 HD13 LEU 4 3.048 18.078 -5.962
39 HD21 LEU 4 HD21 LEU 4 5.068 18.667 -2.918
40 HD22 LEU 4 HD22 LEU 4 3.727 17.501 -3.243
41 HD23 LEU 4 HD23 LEU 4 3.617 19.199 -3.855
42 H SER 5 HN SER 5 8.017 15.055 -7.620
43 HA SER 5 HA SER 5 5.829 13.207 -7.849
44 HB2 SER 5 HB2 SER 5 7.159 13.807 -9.943
45 HB3 SER 5 HB1 SER 5 8.619 13.063 -9.183
46 HG SER 5 HG SER 5 6.621 11.332 -9.006
47 H ORN 6 HN ORN 6 9.423 12.801 -7.315
48 HA ORN 6 HA ORN 6 8.700 10.990 -5.121
49 HB2 ORN 6 HB1 ORN 6 11.362 10.720 -6.606
50 HB3 ORN 6 HB2 ORN 6 9.908 9.872 -7.242
51 HG2 ORN 6 HG1 ORN 6 10.377 8.186 -5.792
52 HG3 ORN 6 HG2 ORN 6 9.868 9.284 -4.468
53 HD2 ORN 6 HD2 ORN 6 12.561 8.230 -5.103
54 HD3 ORN 6 HD1 ORN 6 12.578 10.036 -5.031
55 H PHE 7 HN PHE 7 8.588 13.107 -4.121
56 HA PHE 7 HA PHE 7 10.910 14.681 -3.938
57 HB2 PHE 7 HB2 PHE 7 9.314 15.695 -2.030
58 HB3 PHE 7 HB1 PHE 7 8.911 15.941 -3.744
59 HD1 PHE 7 HD1 PHE 7 7.664 15.031 -0.651
60 HD2 PHE 7 HD2 PHE 7 7.425 14.042 -4.724
61 HE1 PHE 7 HE1 PHE 7 5.451 14.177 -0.293
62 HE2 PHE 7 HE2 PHE 7 5.196 13.186 -4.389
63 HZ PHE 7 HZ PHE 7 4.209 13.264 -2.134
64 H PHE 8 HN PHE 8 9.285 14.322 -0.950
65 HA PHE 8 HA PHE 8 11.587 12.845 0.084
66 HB2 PHE 8 HB2 PHE 8 9.798 14.119 2.113
67 HB3 PHE 8 HB1 PHE 8 11.574 14.411 1.844
68 HD1 PHE 8 HD1 PHE 8 8.333 15.624 1.478
69 HD2 PHE 8 HD2 PHE 8 12.203 15.697 -0.178
70 HE1 PHE 8 HE1 PHE 8 7.660 17.415 0.027
71 HE2 PHE 8 HE2 PHE 8 11.550 17.532 -1.602
72 HZ PHE 8 HZ PHE 8 9.241 18.301 -1.538
73 H ARG 9 HN ARG 9 8.721 12.520 -1.253
74 HA ARG 9 HA ARG 9 6.992 11.145 0.366
75 HB2 ARG 9 HB2 ARG 9 6.759 11.900 -2.136
76 HB3 ARG 9 HB1 ARG 9 7.519 10.330 -2.527
77 HG2 ARG 9 HG2 ARG 9 5.693 9.097 -1.452
78 HG3 ARG 9 HG1 ARG 9 4.966 10.620 -0.831
79 HD2 ARG 9 HD2 ARG 9 4.530 11.386 -3.208
80 HD3 ARG 9 HD1 ARG 9 5.229 9.822 -3.821
81 HE ARG 9 HE ARG 9 2.603 10.190 -2.484
82 HH11 ARG 9 HH11 ARG 9 5.214 7.971 -3.474
83 HH12 ARG 9 HH12 ARG 9 4.218 6.556 -3.478
84 HH21 ARG 9 HH21 ARG 9 1.252 8.263 -2.492
85 HH22 ARG 9 HH22 ARG 9 1.928 6.726 -2.911
86 H ASN 10 HN ASN 10 10.065 10.066 -1.045
87 HA ASN 10 HA ASN 10 9.534 7.330 -0.905
88 HB2 ASN 10 HB2 ASN 10 12.150 8.926 -0.698
89 HB3 ASN 10 HB1 ASN 10 12.114 7.127 -0.639
90 HD21 ASN 10 HD21 ASN 10 12.205 9.921 -2.706
91 H PHE 11 HN PHE 11 10.014 9.778 1.576
92 HA PHE 11 HA PHE 11 10.237 7.595 3.537
93 HB2 PHE 11 HB2 PHE 11 11.095 10.545 3.813
94 HB3 PHE 11 HB1 PHE 11 11.128 9.331 5.148
95 HD1 PHE 11 HD1 PHE 11 12.767 10.571 2.140
96 HD2 PHE 11 HD2 PHE 11 12.739 7.500 5.080
97 HE1 PHE 11 HE1 PHE 11 15.044 9.930 1.497
98 HE2 PHE 11 HE2 PHE 11 15.015 6.862 4.433
99 HZ PHE 11 HZ PHE 11 16.170 8.076 2.642
100 H ILE 12 HN ILE 12 9.041 11.059 3.213
101 HA ILE 12 HA ILE 12 6.404 10.360 3.811
102 HB ILE 12 HB ILE 12 6.337 11.981 5.822
103 HG12 ILE 12 HG12 ILE 12 8.671 11.132 7.138
104 HG13 ILE 12 HG11 ILE 12 9.265 11.613 5.514
105 HG21 ILE 12 HG21 ILE 12 6.178 10.132 7.282
106 HG22 ILE 12 HG22 ILE 12 7.582 9.285 6.535
107 HG23 ILE 12 HG23 ILE 12 6.003 9.346 5.668
108 HD11 ILE 12 HD11 ILE 12 8.744 13.862 5.834
109 HD12 ILE 12 HD12 ILE 12 8.983 13.393 7.560
110 HD13 ILE 12 HD13 ILE 12 7.317 13.499 6.877
111 H LEU 13 HN LEU 13 6.950 13.362 5.100
112 HA LEU 13 HA LEU 13 7.915 14.931 3.228
113 HB2 LEU 13 HB2 LEU 13 6.649 14.898 1.317
114 HB3 LEU 13 HB1 LEU 13 5.619 13.624 2.038
115 HG LEU 13 HG LEU 13 4.984 16.391 2.995
116 HD11 LEU 13 HD11 LEU 13 5.672 16.382 0.345
117 HD12 LEU 13 HD12 LEU 13 4.370 17.419 1.052
118 HD13 LEU 13 HD13 LEU 13 3.941 15.872 0.227
119 HD21 LEU 13 HD21 LEU 13 3.064 14.448 1.664
120 HD22 LEU 13 HD22 LEU 13 2.818 15.536 3.084
121 HD23 LEU 13 HD23 LEU 13 3.784 14.015 3.266
122 H GLN 14 HN GLN 14 5.537 14.042 5.603
123 HA GLN 14 HA GLN 14 5.017 15.121 7.462
124 HB2 GLN 14 HB2 GLN 14 7.227 16.559 6.922
125 HB3 GLN 14 HB1 GLN 14 6.019 17.821 6.500
126 HG2 GLN 14 HG2 GLN 14 5.318 18.103 8.688
127 HG3 GLN 14 HG1 GLN 14 5.618 16.364 9.118
128 HE21 GLN 14 HE21 GLN 14 7.247 19.513 8.387
129 HE22 GLN 14 HE22 GLN 14 8.695 19.179 9.274
130 H ARG 15 HN ARG 15 3.377 16.732 8.209
131 HA ARG 15 HA ARG 15 1.582 17.990 7.966
132 HB2 ARG 15 HB2 ARG 15 2.267 18.135 4.983
133 HB3 ARG 15 HB1 ARG 15 0.762 18.831 5.664
134 HG2 ARG 15 HG2 ARG 15 2.460 20.591 5.441
135 HG3 ARG 15 HG1 ARG 15 2.109 20.295 7.180
136 HD2 ARG 15 HD2 ARG 15 4.198 18.870 7.343
137 HD3 ARG 15 HD1 ARG 15 4.555 19.215 5.600
138 HE ARG 15 HE ARG 15 5.281 21.356 6.253
139 HH11 ARG 15 HH11 ARG 15 3.397 19.850 8.870
140 HH12 ARG 15 HH12 ARG 15 3.812 21.039 10.058
141 HH21 ARG 15 HH21 ARG 15 5.843 22.974 7.865
142 HH22 ARG 15 HH22 ARG 15 5.223 22.843 9.476
143 H LYS 16 HN LYS 16 1.754 15.886 5.067
144 HA LYS 16 HA LYS 16 -0.912 15.064 5.355
145 HB2 LYS 16 HB2 LYS 16 0.431 14.837 3.216
146 HB3 LYS 16 HB1 LYS 16 1.432 13.592 4.037
147 HG2 LYS 16 HG2 LYS 16 -0.371 12.025 4.133
148 HG3 LYS 16 HG1 LYS 16 -1.609 13.289 3.795
149 HD2 LYS 16 HD2 LYS 16 -1.233 11.896 1.789
150 HD3 LYS 16 HD1 LYS 16 -0.692 13.585 1.491
151 HE2 LYS 16 HE2 LYS 16 1.029 12.140 0.564
152 HE3 LYS 16 HE1 LYS 16 1.707 12.782 2.122
153 HZ1 LYS 16 HZ1 LYS 16 1.573 10.197 1.413
154 HZ2 LYS 16 HZ2 LYS 16 0.185 10.341 2.381
155 HZ3 LYS 16 HZ3 LYS 16 1.705 10.772 3.006
156 H LYS 17 HN LYS 17 2.186 14.112 6.667
157 HA LYS 17 HA LYS 17 1.047 11.723 7.867
158 HB2 LYS 17 HB2 LYS 17 3.862 12.912 8.228
159 HB3 LYS 17 HB1 LYS 17 3.323 11.261 8.705
160 HG2 LYS 17 HG2 LYS 17 3.486 12.338 5.821
161 HG3 LYS 17 HG1 LYS 17 4.683 11.255 6.612
162 HD2 LYS 17 HD2 LYS 17 2.914 9.505 6.900
163 HD3 LYS 17 HD1 LYS 17 1.705 10.591 6.132
164 HE2 LYS 17 HE2 LYS 17 3.021 10.562 3.997
165 HE3 LYS 17 HE1 LYS 17 4.246 9.470 4.769
166 HZ1 LYS 17 HZ1 LYS 17 1.434 8.676 4.894
167 HZ2 LYS 17 HZ2 LYS 17 2.840 7.741 4.719
168 HZ3 LYS 17 HZ3 LYS 17 2.211 8.587 3.387
Start of MODEL 9
1 H1 GLU 1 HT1 GLU 1 5.144 17.061 -16.168
2 H2 GLU 1 HT2 GLU 1 4.985 18.217 -14.934
3 H3 GLU 1 HT3 GLU 1 3.906 18.220 -16.246
4 HA GLU 1 HA GLU 1 2.558 17.087 -14.953
5 HB2 GLU 1 HB2 GLU 1 4.676 14.884 -15.310
6 HB3 GLU 1 HB1 GLU 1 2.947 14.611 -14.901
7 HG2 GLU 1 HG2 GLU 1 3.988 15.868 -17.534
8 HG3 GLU 1 HG1 GLU 1 3.388 14.176 -17.329
9 H MET 2 HN MET 2 5.945 16.351 -13.855
10 HA MET 2 HA MET 2 4.970 16.796 -11.132
11 HB2 MET 2 HB2 MET 2 6.811 14.511 -12.029
12 HB3 MET 2 HB1 MET 2 6.595 15.030 -10.321
13 HG2 MET 2 HG2 MET 2 4.097 14.551 -10.578
14 HG3 MET 2 HG1 MET 2 4.451 13.851 -12.190
15 HE1 MET 2 HE1 MET 2 6.287 10.675 -11.760
16 HE2 MET 2 HE2 MET 2 7.226 12.206 -11.851
17 HE3 MET 2 HE3 MET 2 5.691 12.037 -12.773
18 H ARG 3 HN ARG 3 6.590 17.338 -9.663
19 HA ARG 3 HA ARG 3 8.920 18.448 -10.955
20 HB2 ARG 3 HB2 ARG 3 7.215 19.662 -8.774
21 HB3 ARG 3 HB1 ARG 3 8.708 20.423 -9.447
22 HG2 ARG 3 HG2 ARG 3 7.479 20.372 -11.732
23 HG3 ARG 3 HG1 ARG 3 6.007 19.943 -10.789
24 HD2 ARG 3 HD2 ARG 3 6.266 22.071 -9.440
25 HD3 ARG 3 HD1 ARG 3 7.705 22.506 -10.458
26 HE ARG 3 HE ARG 3 6.246 22.943 -12.296
27 HH11 ARG 3 HH11 ARG 3 4.521 21.507 -9.524
28 HH12 ARG 3 HH12 ARG 3 2.939 21.856 -10.132
29 HH21 ARG 3 HH21 ARG 3 4.091 23.417 -13.118
30 HH22 ARG 3 HH22 ARG 3 2.691 22.961 -12.209
31 H LEU 4 HN LEU 4 7.250 17.684 -8.004
32 HA LEU 4 HA LEU 4 9.580 17.433 -6.458
33 HB2 LEU 4 HB2 LEU 4 7.049 15.885 -5.874
34 HB3 LEU 4 HB1 LEU 4 8.117 16.760 -4.710
35 HG LEU 4 HG LEU 4 7.244 18.920 -5.964
36 HD11 LEU 4 HD11 LEU 4 5.690 18.600 -7.601
37 HD12 LEU 4 HD12 LEU 4 4.557 17.972 -6.342
38 HD13 LEU 4 HD13 LEU 4 5.613 16.828 -7.253
39 HD21 LEU 4 HD21 LEU 4 5.542 17.262 -3.993
40 HD22 LEU 4 HD22 LEU 4 5.286 19.015 -4.352
41 HD23 LEU 4 HD23 LEU 4 6.827 18.466 -3.589
42 H SER 5 HN SER 5 7.578 15.381 -8.494
43 HA SER 5 HA SER 5 7.706 13.207 -9.025
44 HB2 SER 5 HB2 SER 5 10.653 14.003 -9.376
45 HB3 SER 5 HB1 SER 5 9.874 12.556 -10.132
46 HG SER 5 HG SER 5 9.835 15.154 -10.870
47 H ORN 6 HN ORN 6 7.236 12.313 -6.788
48 HA ORN 6 HA ORN 6 7.631 10.687 -5.329
49 HB2 ORN 6 HB1 ORN 6 10.324 10.379 -6.767
50 HB3 ORN 6 HB2 ORN 6 8.907 9.291 -6.850
51 HG2 ORN 6 HG1 ORN 6 10.584 9.757 -4.307
52 HG3 ORN 6 HG2 ORN 6 10.874 8.435 -5.480
53 HD2 ORN 6 HD2 ORN 6 8.037 8.647 -4.452
54 HD3 ORN 6 HD1 ORN 6 9.063 7.189 -4.757
55 H PHE 7 HN PHE 7 9.672 13.481 -5.668
56 HA PHE 7 HA PHE 7 11.312 14.260 -4.349
57 HB2 PHE 7 HB2 PHE 7 9.886 15.432 -2.445
58 HB3 PHE 7 HB1 PHE 7 9.651 15.870 -4.138
59 HD1 PHE 7 HD1 PHE 7 8.018 15.524 -1.241
60 HD2 PHE 7 HD2 PHE 7 7.822 14.078 -5.223
61 HE1 PHE 7 HE1 PHE 7 5.626 15.291 -1.063
62 HE2 PHE 7 HE2 PHE 7 5.448 13.816 -5.013
63 HZ PHE 7 HZ PHE 7 4.344 14.443 -2.910
64 H PHE 8 HN PHE 8 9.534 14.043 -1.492
65 HA PHE 8 HA PHE 8 11.304 11.956 -0.523
66 HB2 PHE 8 HB2 PHE 8 10.703 13.837 1.635
67 HB3 PHE 8 HB1 PHE 8 12.335 13.506 0.902
68 HD1 PHE 8 HD1 PHE 8 9.308 15.440 0.747
69 HD2 PHE 8 HD2 PHE 8 13.179 14.783 -0.791
70 HE1 PHE 8 HE1 PHE 8 9.055 17.344 -0.705
71 HE2 PHE 8 HE2 PHE 8 12.941 16.725 -2.197
72 HZ PHE 8 HZ PHE 8 10.832 17.935 -2.166
73 H ARG 9 HN ARG 9 8.426 12.510 -1.510
74 HA ARG 9 HA ARG 9 6.623 12.386 0.560
75 HB2 ARG 9 HB2 ARG 9 6.145 12.598 -1.970
76 HB3 ARG 9 HB1 ARG 9 6.371 10.828 -2.067
77 HG2 ARG 9 HG2 ARG 9 4.488 10.447 -0.528
78 HG3 ARG 9 HG1 ARG 9 4.303 12.216 -0.264
79 HD2 ARG 9 HD2 ARG 9 3.736 12.525 -2.708
80 HD3 ARG 9 HD1 ARG 9 3.886 10.730 -2.954
81 HE ARG 9 HE ARG 9 1.686 12.151 -1.553
82 HH11 ARG 9 HH11 ARG 9 3.421 9.094 -2.164
83 HH12 ARG 9 HH12 ARG 9 2.092 8.075 -1.724
84 HH21 ARG 9 HH21 ARG 9 -0.115 10.763 -0.957
85 HH22 ARG 9 HH22 ARG 9 0.048 9.042 -1.027
86 H ASN 10 HN ASN 10 8.688 9.846 -0.861
87 HA ASN 10 HA ASN 10 7.275 7.701 0.318
88 HB2 ASN 10 HB2 ASN 10 10.233 7.878 -0.520
89 HB3 ASN 10 HB1 ASN 10 9.321 6.357 -0.193
90 HD21 ASN 10 HD21 ASN 10 10.234 8.674 -2.570
91 H PHE 11 HN PHE 11 9.228 10.239 1.616
92 HA PHE 11 HA PHE 11 9.689 8.599 4.009
93 HB2 PHE 11 HB2 PHE 11 11.259 11.072 3.036
94 HB3 PHE 11 HB1 PHE 11 11.517 10.234 4.615
95 HD1 PHE 11 HD1 PHE 11 12.141 10.198 1.035
96 HD2 PHE 11 HD2 PHE 11 12.448 7.968 4.643
97 HE1 PHE 11 HE1 PHE 11 13.758 8.694 -0.029
98 HE2 PHE 11 HE2 PHE 11 14.064 6.468 3.575
99 HZ PHE 11 HZ PHE 11 14.721 6.828 1.239
100 H ILE 12 HN ILE 12 9.631 12.213 3.287
101 HA ILE 12 HA ILE 12 7.235 12.388 4.793
102 HB ILE 12 HB ILE 12 9.501 14.189 5.621
103 HG12 ILE 12 HG12 ILE 12 9.147 12.744 7.877
104 HG13 ILE 12 HG11 ILE 12 8.748 11.459 6.689
105 HG21 ILE 12 HG21 ILE 12 7.505 14.060 7.628
106 HG22 ILE 12 HG22 ILE 12 6.561 13.944 6.092
107 HG23 ILE 12 HG23 ILE 12 7.667 15.342 6.369
108 HD11 ILE 12 HD11 ILE 12 11.062 12.521 5.546
109 HD12 ILE 12 HD12 ILE 12 11.030 11.097 6.661
110 HD13 ILE 12 HD13 ILE 12 11.399 12.742 7.309
111 H LEU 13 HN LEU 13 6.025 13.687 4.131
112 HA LEU 13 HA LEU 13 6.447 16.201 3.352
113 HB2 LEU 13 HB2 LEU 13 7.550 14.731 1.308
114 HB3 LEU 13 HB1 LEU 13 5.847 14.933 0.742
115 HG LEU 13 HG LEU 13 7.283 16.834 -0.005
116 HD11 LEU 13 HD11 LEU 13 5.850 18.707 0.841
117 HD12 LEU 13 HD12 LEU 13 5.211 17.629 2.144
118 HD13 LEU 13 HD13 LEU 13 4.866 17.258 0.411
119 HD21 LEU 13 HD21 LEU 13 8.290 16.617 2.725
120 HD22 LEU 13 HD22 LEU 13 7.633 18.281 2.477
121 HD23 LEU 13 HD23 LEU 13 8.905 17.642 1.371
122 H GLN 14 HN GLN 14 4.799 14.664 4.876
123 HA GLN 14 HA GLN 14 2.304 15.401 3.637
124 HB2 GLN 14 HB2 GLN 14 2.785 12.662 4.933
125 HB3 GLN 14 HB1 GLN 14 1.159 13.343 4.561
126 HG2 GLN 14 HG2 GLN 14 1.832 13.562 2.148
127 HG3 GLN 14 HG1 GLN 14 3.396 12.729 2.540
128 HE21 GLN 14 HE21 GLN 14 3.347 10.582 2.029
129 HE22 GLN 14 HE22 GLN 14 1.980 9.532 2.182
130 H ARG 15 HN ARG 15 0.582 15.551 5.310
131 HA ARG 15 HA ARG 15 1.893 16.753 7.598
132 HB2 ARG 15 HB2 ARG 15 -0.858 16.988 6.317
133 HB3 ARG 15 HB1 ARG 15 -0.597 17.545 8.008
134 HG2 ARG 15 HG2 ARG 15 -0.351 19.406 6.350
135 HG3 ARG 15 HG1 ARG 15 1.144 19.125 7.300
136 HD2 ARG 15 HD2 ARG 15 1.572 19.558 4.803
137 HD3 ARG 15 HD1 ARG 15 2.219 17.954 5.360
138 HE ARG 15 HE ARG 15 0.617 16.883 3.975
139 HH11 ARG 15 HH11 ARG 15 -0.198 20.332 4.421
140 HH12 ARG 15 HH12 ARG 15 -1.453 20.348 3.229
141 HH21 ARG 15 HH21 ARG 15 -1.091 16.916 2.351
142 HH22 ARG 15 HH22 ARG 15 -1.969 18.373 2.034
143 H LYS 16 HN LYS 16 1.168 13.696 6.974
144 HA LYS 16 HA LYS 16 -0.394 13.234 9.386
145 HB2 LYS 16 HB2 LYS 16 0.915 10.977 7.839
146 HB3 LYS 16 HB1 LYS 16 -0.667 10.993 8.691
147 HG2 LYS 16 HG2 LYS 16 -1.531 12.553 6.839
148 HG3 LYS 16 HG1 LYS 16 0.010 12.232 5.964
149 HD2 LYS 16 HD2 LYS 16 -1.983 10.063 6.871
150 HD3 LYS 16 HD1 LYS 16 -1.907 10.765 5.218
151 HE2 LYS 16 HE2 LYS 16 0.494 9.951 5.021
152 HE3 LYS 16 HE1 LYS 16 0.323 9.161 6.643
153 HZ1 LYS 16 HZ1 LYS 16 -1.098 8.553 4.119
154 HZ2 LYS 16 HZ2 LYS 16 -1.684 8.037 5.628
155 HZ3 LYS 16 HZ3 LYS 16 -0.151 7.537 5.095
156 H LYS 17 HN LYS 17 2.733 13.915 8.443
157 HA LYS 17 HA LYS 17 3.881 12.177 10.507
158 HB2 LYS 17 HB2 LYS 17 4.974 13.461 7.964
159 HB3 LYS 17 HB1 LYS 17 6.098 13.108 9.325
160 HG2 LYS 17 HG2 LYS 17 5.874 10.797 9.122
161 HG3 LYS 17 HG1 LYS 17 4.222 10.897 8.420
162 HD2 LYS 17 HD2 LYS 17 6.771 11.776 6.947
163 HD3 LYS 17 HD1 LYS 17 6.081 10.126 6.836
164 HE2 LYS 17 HE2 LYS 17 3.826 11.565 6.188
165 HE3 LYS 17 HE1 LYS 17 5.099 12.736 5.612
166 HZ1 LYS 17 HZ1 LYS 17 6.124 10.660 4.551
167 HZ2 LYS 17 HZ2 LYS 17 4.745 11.358 3.837
168 HZ3 LYS 17 HZ3 LYS 17 4.597 9.946 4.768
Start of MODEL 10
1 H1 GLU 1 HT1 GLU 1 3.652 18.063 -15.452
2 H2 GLU 1 HT2 GLU 1 4.746 16.814 -15.089
3 H3 GLU 1 HT3 GLU 1 4.530 18.100 -13.998
4 HA GLU 1 HA GLU 1 2.034 17.210 -14.253
5 HB2 GLU 1 HB2 GLU 1 2.896 15.262 -15.618
6 HB3 GLU 1 HB1 GLU 1 3.911 14.775 -14.215
7 HG2 GLU 1 HG2 GLU 1 1.858 14.390 -12.828
8 HG3 GLU 1 HG1 GLU 1 0.817 14.922 -14.207
9 H MET 2 HN MET 2 5.206 16.492 -12.684
10 HA MET 2 HA MET 2 3.842 16.962 -10.137
11 HB2 MET 2 HB2 MET 2 5.932 14.796 -10.719
12 HB3 MET 2 HB1 MET 2 5.490 15.346 -9.065
13 HG2 MET 2 HG2 MET 2 3.142 14.626 -9.422
14 HG3 MET 2 HG1 MET 2 3.529 14.125 -11.100
15 HE1 MET 2 HE1 MET 2 2.754 10.813 -9.207
16 HE2 MET 2 HE2 MET 2 2.330 11.935 -10.546
17 HE3 MET 2 HE3 MET 2 2.076 12.438 -8.838
18 H ARG 3 HN ARG 3 5.256 17.743 -8.460
19 HA ARG 3 HA ARG 3 7.572 19.020 -9.627
20 HB2 ARG 3 HB2 ARG 3 5.860 20.691 -9.009
21 HB3 ARG 3 HB1 ARG 3 5.747 19.926 -7.385
22 HG2 ARG 3 HG2 ARG 3 7.978 20.637 -6.780
23 HG3 ARG 3 HG1 ARG 3 8.351 21.147 -8.465
24 HD2 ARG 3 HD2 ARG 3 6.692 22.996 -8.315
25 HD3 ARG 3 HD1 ARG 3 6.196 22.443 -6.658
26 HE ARG 3 HE ARG 3 8.193 23.379 -5.785
27 HH11 ARG 3 HH11 ARG 3 8.290 23.230 -9.348
28 HH12 ARG 3 HH12 ARG 3 9.728 24.182 -9.499
29 HH21 ARG 3 HH21 ARG 3 10.146 24.671 -5.998
30 HH22 ARG 3 HH22 ARG 3 10.800 25.014 -7.564
31 H LEU 4 HN LEU 4 6.135 17.835 -6.660
32 HA LEU 4 HA LEU 4 8.591 17.629 -5.322
33 HB2 LEU 4 HB2 LEU 4 6.282 15.778 -4.700
34 HB3 LEU 4 HB1 LEU 4 7.337 16.682 -3.543
35 HG LEU 4 HG LEU 4 6.119 18.818 -4.495
36 HD11 LEU 4 HD11 LEU 4 3.545 17.614 -4.861
37 HD12 LEU 4 HD12 LEU 4 4.663 16.678 -5.923
38 HD13 LEU 4 HD13 LEU 4 4.535 18.474 -6.101
39 HD21 LEU 4 HD21 LEU 4 4.865 16.734 -2.607
40 HD22 LEU 4 HD22 LEU 4 4.176 18.390 -2.834
41 HD23 LEU 4 HD23 LEU 4 5.849 18.190 -2.185
42 H SER 5 HN SER 5 6.607 15.653 -7.465
43 HA SER 5 HA SER 5 6.935 13.678 -8.402
44 HB2 SER 5 HB2 SER 5 9.107 14.810 -9.213
45 HB3 SER 5 HB1 SER 5 9.947 13.997 -7.837
46 HG SER 5 HG SER 5 9.657 13.010 -10.128
47 H ORN 6 HN ORN 6 9.830 12.485 -6.936
48 HA ORN 6 HA ORN 6 8.156 10.961 -5.066
49 HB2 ORN 6 HB1 ORN 6 11.049 10.277 -5.783
50 HB3 ORN 6 HB2 ORN 6 9.713 9.785 -6.879
51 HG2 ORN 6 HG1 ORN 6 9.003 8.115 -5.480
52 HG3 ORN 6 HG2 ORN 6 9.222 9.110 -4.001
53 HD2 ORN 6 HD2 ORN 6 10.906 6.964 -4.973
54 HD3 ORN 6 HD1 ORN 6 11.866 8.488 -5.123
55 H PHE 7 HN PHE 7 9.247 13.776 -4.849
56 HA PHE 7 HA PHE 7 11.111 14.720 -3.719
57 HB2 PHE 7 HB2 PHE 7 9.625 15.445 -1.649
58 HB3 PHE 7 HB1 PHE 7 9.145 15.923 -3.290
59 HD1 PHE 7 HD1 PHE 7 8.061 14.667 -0.275
60 HD2 PHE 7 HD2 PHE 7 7.533 14.163 -4.424
61 HE1 PHE 7 HE1 PHE 7 5.857 13.821 0.116
62 HE2 PHE 7 HE2 PHE 7 5.299 13.325 -4.029
63 HZ PHE 7 HZ PHE 7 4.473 13.172 -1.720
64 H PHE 8 HN PHE 8 9.523 13.850 -0.835
65 HA PHE 8 HA PHE 8 11.781 12.162 -0.112
66 HB2 PHE 8 HB2 PHE 8 10.653 13.539 2.245
67 HB3 PHE 8 HB1 PHE 8 12.347 13.680 1.589
68 HD1 PHE 8 HD1 PHE 8 9.063 14.967 1.685
69 HD2 PHE 8 HD2 PHE 8 12.846 15.235 -0.120
70 HE1 PHE 8 HE1 PHE 8 8.335 16.931 0.496
71 HE2 PHE 8 HE2 PHE 8 12.151 17.239 -1.274
72 HZ PHE 8 HZ PHE 8 9.860 18.023 -0.995
73 H ARG 9 HN ARG 9 8.875 12.129 -1.125
74 HA ARG 9 HA ARG 9 7.097 11.180 0.731
75 HB2 ARG 9 HB2 ARG 9 6.802 11.661 -1.851
76 HB3 ARG 9 HB1 ARG 9 7.311 9.963 -2.062
77 HG2 ARG 9 HG2 ARG 9 5.414 9.139 -0.766
78 HG3 ARG 9 HG1 ARG 9 4.953 10.807 -0.279
79 HD2 ARG 9 HD2 ARG 9 3.440 10.124 -2.092
80 HD3 ARG 9 HD1 ARG 9 4.605 11.326 -2.810
81 HE ARG 9 HE ARG 9 5.671 8.649 -3.096
82 HH11 ARG 9 HH11 ARG 9 3.107 10.828 -4.262
83 HH12 ARG 9 HH12 ARG 9 2.984 10.100 -5.828
84 HH21 ARG 9 HH21 ARG 9 5.506 7.656 -5.225
85 HH22 ARG 9 HH22 ARG 9 4.374 8.264 -6.384
86 H ASN 10 HN ASN 10 9.803 9.490 -0.897
87 HA ASN 10 HA ASN 10 8.926 6.906 -0.317
88 HB2 ASN 10 HB2 ASN 10 11.751 8.059 -0.671
89 HB3 ASN 10 HB1 ASN 10 11.430 6.300 -0.447
90 HD21 ASN 10 HD21 ASN 10 11.737 8.841 -2.750
91 H PHE 11 HN PHE 11 10.148 9.482 1.740
92 HA PHE 11 HA PHE 11 10.482 7.478 3.864
93 HB2 PHE 11 HB2 PHE 11 11.612 10.342 3.682
94 HB3 PHE 11 HB1 PHE 11 11.773 9.258 5.115
95 HD1 PHE 11 HD1 PHE 11 12.977 10.063 1.775
96 HD2 PHE 11 HD2 PHE 11 13.182 7.265 4.971
97 HE1 PHE 11 HE1 PHE 11 15.048 9.141 0.840
98 HE2 PHE 11 HE2 PHE 11 15.252 6.348 4.032
99 HZ PHE 11 HZ PHE 11 16.186 7.284 1.967
100 H ILE 12 HN ILE 12 9.706 11.074 3.699
101 HA ILE 12 HA ILE 12 7.132 10.857 4.371
102 HB ILE 12 HB ILE 12 7.212 10.427 6.575
103 HG12 ILE 12 HG12 ILE 12 6.906 12.944 6.345
104 HG13 ILE 12 HG11 ILE 12 7.285 12.305 7.963
105 HG21 ILE 12 HG21 ILE 12 10.219 10.971 6.306
106 HG22 ILE 12 HG22 ILE 12 9.373 9.449 6.780
107 HG23 ILE 12 HG23 ILE 12 9.470 10.824 7.939
108 HD11 ILE 12 HD11 ILE 12 8.595 14.449 6.667
109 HD12 ILE 12 HD12 ILE 12 9.742 13.072 6.449
110 HD13 ILE 12 HD13 ILE 12 9.209 13.550 8.108
111 H LEU 13 HN LEU 13 6.335 12.944 4.272
112 HA LEU 13 HA LEU 13 8.403 14.899 3.678
113 HB2 LEU 13 HB2 LEU 13 7.272 15.539 1.772
114 HB3 LEU 13 HB1 LEU 13 6.808 13.802 1.853
115 HG LEU 13 HG LEU 13 5.057 15.889 3.203
116 HD11 LEU 13 HD11 LEU 13 5.842 16.140 0.478
117 HD12 LEU 13 HD12 LEU 13 4.409 16.903 1.279
118 HD13 LEU 13 HD13 LEU 13 4.223 15.326 0.423
119 HD21 LEU 13 HD21 LEU 13 3.327 14.240 2.885
120 HD22 LEU 13 HD22 LEU 13 4.783 13.290 3.391
121 HD23 LEU 13 HD23 LEU 13 4.289 13.343 1.652
122 H GLN 14 HN GLN 14 5.557 14.003 5.484
123 HA GLN 14 HA GLN 14 4.519 14.934 7.149
124 HB2 GLN 14 HB2 GLN 14 6.879 15.506 7.946
125 HB3 GLN 14 HB1 GLN 14 6.622 17.138 7.221
126 HG2 GLN 14 HG2 GLN 14 4.680 17.548 8.639
127 HG3 GLN 14 HG1 GLN 14 4.735 15.854 9.270
128 HE21 GLN 14 HE21 GLN 14 5.210 18.766 10.457
129 HE22 GLN 14 HE22 GLN 14 6.660 18.579 11.384
130 H ARG 15 HN ARG 15 3.050 15.384 5.248
131 HA ARG 15 HA ARG 15 2.248 18.125 5.506
132 HB2 ARG 15 HB2 ARG 15 3.283 16.971 2.928
133 HB3 ARG 15 HB1 ARG 15 1.729 17.867 2.818
134 HG2 ARG 15 HG2 ARG 15 3.226 19.603 2.440
135 HG3 ARG 15 HG1 ARG 15 3.038 19.724 4.223
136 HD2 ARG 15 HD2 ARG 15 5.162 17.886 3.991
137 HD3 ARG 15 HD1 ARG 15 5.466 19.019 2.604
138 HE ARG 15 HE ARG 15 5.479 19.705 5.511
139 HH11 ARG 15 HH11 ARG 15 5.468 20.785 2.105
140 HH12 ARG 15 HH12 ARG 15 6.108 22.357 2.443
141 HH21 ARG 15 HH21 ARG 15 6.349 21.844 5.959
142 HH22 ARG 15 HH22 ARG 15 6.618 22.969 4.671
143 H LYS 16 HN LYS 16 1.758 15.075 3.704
144 HA LYS 16 HA LYS 16 -1.106 15.313 4.190
145 HB2 LYS 16 HB2 LYS 16 0.453 13.144 2.661
146 HB3 LYS 16 HB1 LYS 16 -1.332 13.354 2.680
147 HG2 LYS 16 HG2 LYS 16 -1.030 15.619 1.581
148 HG3 LYS 16 HG1 LYS 16 0.735 15.282 1.475
149 HD2 LYS 16 HD2 LYS 16 -1.434 13.474 0.245
150 HD3 LYS 16 HD1 LYS 16 -0.602 14.794 -0.649
151 HE2 LYS 16 HE2 LYS 16 1.623 13.662 -0.203
152 HE3 LYS 16 HE1 LYS 16 0.741 12.307 0.618
153 HZ1 LYS 16 HZ1 LYS 16 0.721 13.113 -2.222
154 HZ2 LYS 16 HZ2 LYS 16 -0.567 12.223 -1.566
155 HZ3 LYS 16 HZ3 LYS 16 1.009 11.593 -1.523
156 H LYS 17 HN LYS 17 1.605 14.321 5.790
157 HA LYS 17 HA LYS 17 0.267 11.966 6.914
158 HB2 LYS 17 HB2 LYS 17 3.220 12.541 7.372
159 HB3 LYS 17 HB1 LYS 17 2.370 10.955 7.313
160 HG2 LYS 17 HG2 LYS 17 2.944 12.765 4.879
161 HG3 LYS 17 HG1 LYS 17 3.904 11.325 5.357
162 HD2 LYS 17 HD2 LYS 17 1.994 9.838 4.960
163 HD3 LYS 17 HD1 LYS 17 0.896 11.233 4.688
164 HE2 LYS 17 HE2 LYS 17 2.200 11.878 2.639
165 HE3 LYS 17 HE1 LYS 17 3.318 10.473 2.916
166 HZ1 LYS 17 HZ1 LYS 17 1.860 9.126 2.014
167 HZ2 LYS 17 HZ2 LYS 17 0.967 10.483 1.518
168 HZ3 LYS 17 HZ3 LYS 17 0.575 9.692 2.969
Start of MODEL 11
1 H1 GLU 1 HT1 GLU 1 6.085 14.931 -15.695
2 H2 GLU 1 HT2 GLU 1 6.513 13.994 -14.345
3 H3 GLU 1 HT3 GLU 1 6.575 15.690 -14.257
4 HA GLU 1 HA GLU 1 4.038 15.240 -15.015
5 HB2 GLU 1 HB2 GLU 1 4.968 13.100 -13.022
6 HB3 GLU 1 HB1 GLU 1 3.241 13.575 -13.196
7 HG2 GLU 1 HG2 GLU 1 3.212 12.840 -15.561
8 HG3 GLU 1 HG1 GLU 1 4.986 12.493 -15.511
9 H MET 2 HN MET 2 6.182 15.154 -12.090
10 HA MET 2 HA MET 2 4.638 17.455 -11.133
11 HB2 MET 2 HB2 MET 2 5.616 15.079 -9.473
12 HB3 MET 2 HB1 MET 2 5.194 16.676 -8.764
13 HG2 MET 2 HG2 MET 2 2.871 16.435 -9.757
14 HG3 MET 2 HG1 MET 2 3.309 14.780 -10.292
15 HE1 MET 2 HE1 MET 2 3.601 12.608 -7.274
16 HE2 MET 2 HE2 MET 2 4.982 13.439 -8.066
17 HE3 MET 2 HE3 MET 2 3.608 12.841 -9.056
18 H ARG 3 HN ARG 3 5.753 18.872 -9.818
19 HA ARG 3 HA ARG 3 8.420 19.190 -10.531
20 HB2 ARG 3 HB2 ARG 3 6.937 21.100 -10.037
21 HB3 ARG 3 HB1 ARG 3 6.724 20.444 -8.378
22 HG2 ARG 3 HG2 ARG 3 9.016 20.877 -7.790
23 HG3 ARG 3 HG1 ARG 3 9.471 21.232 -9.494
24 HD2 ARG 3 HD2 ARG 3 9.273 23.359 -8.220
25 HD3 ARG 3 HD1 ARG 3 7.914 23.260 -9.427
26 HE ARG 3 HE ARG 3 7.086 22.108 -6.897
27 HH11 ARG 3 HH11 ARG 3 7.853 25.181 -8.523
28 HH12 ARG 3 HH12 ARG 3 6.789 26.141 -7.552
29 HH21 ARG 3 HH21 ARG 3 5.638 23.412 -5.572
30 HH22 ARG 3 HH22 ARG 3 5.509 25.117 -5.843
31 H LEU 4 HN LEU 4 6.702 18.147 -7.716
32 HA LEU 4 HA LEU 4 8.947 17.841 -6.091
33 HB2 LEU 4 HB2 LEU 4 6.609 15.965 -5.815
34 HB3 LEU 4 HB1 LEU 4 7.421 16.944 -4.529
35 HG LEU 4 HG LEU 4 5.459 17.960 -6.665
36 HD11 LEU 4 HD11 LEU 4 3.753 17.628 -5.222
37 HD12 LEU 4 HD12 LEU 4 4.689 18.256 -3.809
38 HD13 LEU 4 HD13 LEU 4 4.878 16.533 -4.327
39 HD21 LEU 4 HD21 LEU 4 7.120 19.424 -4.555
40 HD22 LEU 4 HD22 LEU 4 5.515 20.070 -5.069
41 HD23 LEU 4 HD23 LEU 4 6.830 19.842 -6.291
42 H SER 5 HN SER 5 7.227 15.923 -8.499
43 HA SER 5 HA SER 5 7.643 13.959 -9.422
44 HB2 SER 5 HB2 SER 5 9.920 15.029 -9.947
45 HB3 SER 5 HB1 SER 5 10.563 14.222 -8.466
46 HG SER 5 HG SER 5 10.486 13.228 -10.809
47 H ORN 6 HN ORN 6 10.303 12.761 -7.508
48 HA ORN 6 HA ORN 6 8.351 11.206 -5.957
49 HB2 ORN 6 HB1 ORN 6 11.334 10.563 -6.137
50 HB3 ORN 6 HB2 ORN 6 10.235 10.068 -7.470
51 HG2 ORN 6 HG1 ORN 6 9.210 8.426 -6.210
52 HG3 ORN 6 HG2 ORN 6 9.305 9.368 -4.685
53 HD2 ORN 6 HD2 ORN 6 10.953 7.156 -5.459
54 HD3 ORN 6 HD1 ORN 6 12.017 8.609 -5.606
55 H PHE 7 HN PHE 7 9.630 14.048 -5.666
56 HA PHE 7 HA PHE 7 11.179 15.011 -4.260
57 HB2 PHE 7 HB2 PHE 7 9.467 15.687 -2.347
58 HB3 PHE 7 HB1 PHE 7 9.195 16.210 -4.011
59 HD1 PHE 7 HD1 PHE 7 7.605 15.157 -1.205
60 HD2 PHE 7 HD2 PHE 7 7.810 14.276 -5.346
61 HE1 PHE 7 HE1 PHE 7 5.324 14.400 -1.178
62 HE2 PHE 7 HE2 PHE 7 5.531 13.503 -5.291
63 HZ PHE 7 HZ PHE 7 4.283 13.584 -3.181
64 H PHE 8 HN PHE 8 9.363 14.138 -1.548
65 HA PHE 8 HA PHE 8 11.532 12.420 -0.653
66 HB2 PHE 8 HB2 PHE 8 10.274 13.836 1.601
67 HB3 PHE 8 HB1 PHE 8 12.012 13.940 1.065
68 HD1 PHE 8 HD1 PHE 8 8.675 15.178 0.710
69 HD2 PHE 8 HD2 PHE 8 12.720 15.561 -0.401
70 HE1 PHE 8 HE1 PHE 8 8.142 17.163 -0.552
71 HE2 PHE 8 HE2 PHE 8 12.186 17.575 -1.622
72 HZ PHE 8 HZ PHE 8 9.860 18.291 -1.715
73 H ARG 9 HN ARG 9 8.685 12.408 -1.859
74 HA ARG 9 HA ARG 9 6.829 11.536 -0.033
75 HB2 ARG 9 HB2 ARG 9 6.507 12.011 -2.562
76 HB3 ARG 9 HB1 ARG 9 7.158 10.370 -2.849
77 HG2 ARG 9 HG2 ARG 9 5.317 9.335 -1.639
78 HG3 ARG 9 HG1 ARG 9 4.723 10.932 -1.062
79 HD2 ARG 9 HD2 ARG 9 4.187 11.601 -3.434
80 HD3 ARG 9 HD1 ARG 9 4.777 9.978 -4.013
81 HE ARG 9 HE ARG 9 2.861 9.448 -1.989
82 HH11 ARG 9 HH11 ARG 9 3.056 11.090 -5.144
83 HH12 ARG 9 HH12 ARG 9 1.408 10.782 -5.579
84 HH21 ARG 9 HH21 ARG 9 0.621 9.029 -2.580
85 HH22 ARG 9 HH22 ARG 9 -0.001 9.590 -4.096
86 H ASN 10 HN ASN 10 9.575 9.811 -1.550
87 HA ASN 10 HA ASN 10 8.732 7.236 -0.881
88 HB2 ASN 10 HB2 ASN 10 11.554 8.428 -1.161
89 HB3 ASN 10 HB1 ASN 10 11.244 6.671 -0.904
90 HD21 ASN 10 HD21 ASN 10 11.771 9.067 -3.261
91 H PHE 11 HN PHE 11 10.001 9.931 1.030
92 HA PHE 11 HA PHE 11 10.320 8.116 3.306
93 HB2 PHE 11 HB2 PHE 11 11.076 11.092 2.983
94 HB3 PHE 11 HB1 PHE 11 11.288 10.137 4.499
95 HD1 PHE 11 HD1 PHE 11 12.560 10.836 1.152
96 HD2 PHE 11 HD2 PHE 11 12.976 8.390 4.605
97 HE1 PHE 11 HE1 PHE 11 14.791 10.153 0.402
98 HE2 PHE 11 HE2 PHE 11 15.207 7.710 3.850
99 HZ PHE 11 HZ PHE 11 16.116 8.590 1.749
100 H ILE 12 HN ILE 12 9.161 11.599 2.986
101 HA ILE 12 HA ILE 12 6.558 10.873 3.628
102 HB ILE 12 HB ILE 12 6.332 12.316 5.588
103 HG12 ILE 12 HG12 ILE 12 8.723 12.578 6.851
104 HG13 ILE 12 HG11 ILE 12 9.284 12.667 5.145
105 HG21 ILE 12 HG21 ILE 12 7.049 10.718 7.269
106 HG22 ILE 12 HG22 ILE 12 8.346 10.072 6.194
107 HG23 ILE 12 HG23 ILE 12 6.609 9.782 5.791
108 HD11 ILE 12 HD11 ILE 12 8.487 14.799 4.913
109 HD12 ILE 12 HD12 ILE 12 8.162 14.797 6.689
110 HD13 ILE 12 HD13 ILE 12 6.855 14.334 5.531
111 H LEU 13 HN LEU 13 5.236 12.587 3.660
112 HA LEU 13 HA LEU 13 5.923 15.153 3.411
113 HB2 LEU 13 HB2 LEU 13 6.765 14.071 1.052
114 HB3 LEU 13 HB1 LEU 13 5.046 14.471 0.653
115 HG LEU 13 HG LEU 13 6.694 16.342 0.209
116 HD11 LEU 13 HD11 LEU 13 5.260 18.120 1.022
117 HD12 LEU 13 HD12 LEU 13 4.652 17.094 2.379
118 HD13 LEU 13 HD13 LEU 13 4.199 16.700 0.677
119 HD21 LEU 13 HD21 LEU 13 7.751 15.617 2.704
120 HD22 LEU 13 HD22 LEU 13 6.840 17.129 3.094
121 HD23 LEU 13 HD23 LEU 13 8.123 17.155 1.822
122 H GLN 14 HN GLN 14 4.309 13.706 4.827
123 HA GLN 14 HA GLN 14 1.674 14.246 3.705
124 HB2 GLN 14 HB2 GLN 14 2.584 12.483 6.048
125 HB3 GLN 14 HB1 GLN 14 0.863 12.958 5.804
126 HG2 GLN 14 HG2 GLN 14 0.784 11.852 3.629
127 HG3 GLN 14 HG1 GLN 14 2.559 11.493 3.687
128 HE21 GLN 14 HE21 GLN 14 0.254 9.570 3.546
129 HE22 GLN 14 HE22 GLN 14 0.400 8.547 4.935
130 H ARG 15 HN ARG 15 0.148 14.990 5.688
131 HA ARG 15 HA ARG 15 1.705 17.196 6.808
132 HB2 ARG 15 HB2 ARG 15 -1.190 16.859 5.962
133 HB3 ARG 15 HB1 ARG 15 -0.804 18.021 7.283
134 HG2 ARG 15 HG2 ARG 15 -0.877 19.040 4.943
135 HG3 ARG 15 HG1 ARG 15 0.636 19.338 5.861
136 HD2 ARG 15 HD2 ARG 15 1.086 18.753 3.428
137 HD3 ARG 15 HD1 ARG 15 1.817 17.524 4.549
138 HE ARG 15 HE ARG 15 0.253 15.915 3.741
139 HH11 ARG 15 HH11 ARG 15 -0.620 19.218 2.688
140 HH12 ARG 15 HH12 ARG 15 -1.834 18.701 1.564
141 HH21 ARG 15 HH21 ARG 15 -1.394 15.227 2.210
142 HH22 ARG 15 HH22 ARG 15 -2.281 16.397 1.290
143 H LYS 16 HN LYS 16 2.362 16.913 8.823
144 HA LYS 16 HA LYS 16 2.449 16.246 10.911
145 HB2 LYS 16 HB2 LYS 16 -0.557 16.388 10.590
146 HB3 LYS 16 HB1 LYS 16 0.159 15.705 12.091
147 HG2 LYS 16 HG2 LYS 16 1.372 18.287 11.175
148 HG3 LYS 16 HG1 LYS 16 -0.357 18.400 11.671
149 HD2 LYS 16 HD2 LYS 16 0.727 18.781 13.711
150 HD3 LYS 16 HD1 LYS 16 0.449 17.007 13.796
151 HE2 LYS 16 HE2 LYS 16 2.795 16.566 13.074
152 HE3 LYS 16 HE1 LYS 16 3.083 18.345 12.865
153 HZ1 LYS 16 HZ1 LYS 16 2.034 17.902 15.420
154 HZ2 LYS 16 HZ2 LYS 16 3.580 18.445 14.976
155 HZ3 LYS 16 HZ3 LYS 16 3.287 16.783 15.175
156 H LYS 17 HN LYS 17 3.182 14.488 9.224
157 HA LYS 17 HA LYS 17 1.994 12.065 8.985
158 HB2 LYS 17 HB2 LYS 17 4.606 11.296 9.255
159 HB3 LYS 17 HB1 LYS 17 3.993 12.117 7.774
160 HG2 LYS 17 HG2 LYS 17 5.006 13.816 10.112
161 HG3 LYS 17 HG1 LYS 17 6.188 13.006 9.024
162 HD2 LYS 17 HD2 LYS 17 5.786 14.450 7.303
163 HD3 LYS 17 HD1 LYS 17 4.011 14.399 7.539
164 HE2 LYS 17 HE2 LYS 17 5.019 16.712 7.873
165 HE3 LYS 17 HE1 LYS 17 4.160 16.116 9.363
166 HZ1 LYS 17 HZ1 LYS 17 6.894 16.796 8.966
167 HZ2 LYS 17 HZ2 LYS 17 6.758 15.208 9.551
168 HZ3 LYS 17 HZ3 LYS 17 6.041 16.491 10.402
Start of MODEL 12
1 H1 GLU 1 HT1 GLU 1 4.772 17.043 -15.097
2 H2 GLU 1 HT2 GLU 1 4.512 18.275 -13.958
3 H3 GLU 1 HT3 GLU 1 3.652 18.278 -15.422
4 HA GLU 1 HA GLU 1 2.040 17.316 -14.310
5 HB2 GLU 1 HB2 GLU 1 4.086 15.036 -14.454
6 HB3 GLU 1 HB1 GLU 1 2.383 14.777 -13.934
7 HG2 GLU 1 HG2 GLU 1 1.532 15.541 -16.132
8 HG3 GLU 1 HG1 GLU 1 3.204 15.973 -16.667
9 H MET 2 HN MET 2 5.177 16.571 -12.654
10 HA MET 2 HA MET 2 3.744 17.050 -10.148
11 HB2 MET 2 HB2 MET 2 5.807 14.844 -10.676
12 HB3 MET 2 HB1 MET 2 5.296 15.376 -9.037
13 HG2 MET 2 HG2 MET 2 2.944 14.716 -9.541
14 HG3 MET 2 HG1 MET 2 3.432 14.202 -11.187
15 HE1 MET 2 HE1 MET 2 2.133 12.046 -10.664
16 HE2 MET 2 HE2 MET 2 1.814 12.566 -8.974
17 HE3 MET 2 HE3 MET 2 2.468 10.923 -9.300
18 H ARG 3 HN ARG 3 5.124 17.793 -8.426
19 HA ARG 3 HA ARG 3 7.492 19.035 -9.522
20 HB2 ARG 3 HB2 ARG 3 5.797 20.716 -8.881
21 HB3 ARG 3 HB1 ARG 3 5.664 19.917 -7.275
22 HG2 ARG 3 HG2 ARG 3 7.919 20.562 -6.658
23 HG3 ARG 3 HG1 ARG 3 8.286 21.132 -8.325
24 HD2 ARG 3 HD2 ARG 3 6.660 22.992 -8.093
25 HD3 ARG 3 HD1 ARG 3 6.168 22.389 -6.449
26 HE ARG 3 HE ARG 3 8.981 22.716 -6.355
27 HH11 ARG 3 HH11 ARG 3 6.082 24.683 -6.988
28 HH12 ARG 3 HH12 ARG 3 6.754 26.153 -6.366
29 HH21 ARG 3 HH21 ARG 3 9.899 24.715 -5.511
30 HH22 ARG 3 HH22 ARG 3 8.962 26.170 -5.513
31 H LEU 4 HN LEU 4 5.995 17.797 -6.611
32 HA LEU 4 HA LEU 4 8.394 17.524 -5.205
33 HB2 LEU 4 HB2 LEU 4 6.090 15.632 -4.746
34 HB3 LEU 4 HB1 LEU 4 7.079 16.519 -3.520
35 HG LEU 4 HG LEU 4 5.869 18.661 -4.462
36 HD11 LEU 4 HD11 LEU 4 4.522 16.559 -6.024
37 HD12 LEU 4 HD12 LEU 4 4.328 18.354 -6.114
38 HD13 LEU 4 HD13 LEU 4 3.333 17.393 -4.953
39 HD21 LEU 4 HD21 LEU 4 3.827 18.072 -2.910
40 HD22 LEU 4 HD22 LEU 4 5.484 18.057 -2.196
41 HD23 LEU 4 HD23 LEU 4 4.677 16.501 -2.638
42 H SER 5 HN SER 5 6.498 15.603 -7.482
43 HA SER 5 HA SER 5 6.799 13.537 -8.298
44 HB2 SER 5 HB2 SER 5 9.675 14.622 -8.450
45 HB3 SER 5 HB1 SER 5 9.140 13.103 -9.276
46 HG SER 5 HG SER 5 8.645 15.753 -9.857
47 H ORN 6 HN ORN 6 10.135 12.990 -7.445
48 HA ORN 6 HA ORN 6 9.214 11.140 -5.370
49 HB2 ORN 6 HB1 ORN 6 11.892 11.314 -6.891
50 HB3 ORN 6 HB2 ORN 6 10.624 10.071 -7.150
51 HG2 ORN 6 HG1 ORN 6 12.211 10.461 -4.527
52 HG3 ORN 6 HG2 ORN 6 12.593 9.253 -5.796
53 HD2 ORN 6 HD2 ORN 6 9.748 9.180 -4.775
54 HD3 ORN 6 HD1 ORN 6 10.889 7.830 -5.160
55 H PHE 7 HN PHE 7 8.839 13.389 -4.275
56 HA PHE 7 HA PHE 7 10.993 14.845 -3.478
57 HB2 PHE 7 HB2 PHE 7 9.300 15.480 -1.558
58 HB3 PHE 7 HB1 PHE 7 8.908 15.927 -3.232
59 HD1 PHE 7 HD1 PHE 7 7.744 14.611 -0.287
60 HD2 PHE 7 HD2 PHE 7 7.437 14.087 -4.455
61 HE1 PHE 7 HE1 PHE 7 5.589 13.642 0.004
62 HE2 PHE 7 HE2 PHE 7 5.239 13.111 -4.157
63 HZ PHE 7 HZ PHE 7 4.326 12.912 -1.888
64 H PHE 8 HN PHE 8 9.228 13.849 -0.670
65 HA PHE 8 HA PHE 8 11.560 12.291 0.137
66 HB2 PHE 8 HB2 PHE 8 10.309 13.582 2.453
67 HB3 PHE 8 HB1 PHE 8 11.988 13.855 1.807
68 HD1 PHE 8 HD1 PHE 8 8.608 14.871 1.863
69 HD2 PHE 8 HD2 PHE 8 12.385 15.466 0.132
70 HE1 PHE 8 HE1 PHE 8 7.739 16.781 0.679
71 HE2 PHE 8 HE2 PHE 8 11.546 17.420 -1.017
72 HZ PHE 8 HZ PHE 8 9.191 18.002 -0.773
73 H ARG 9 HN ARG 9 8.378 12.150 -0.702
74 HA ARG 9 HA ARG 9 7.122 10.869 1.415
75 HB2 ARG 9 HB2 ARG 9 5.597 9.792 -0.226
76 HB3 ARG 9 HB1 ARG 9 5.822 11.527 -0.583
77 HG2 ARG 9 HG2 ARG 9 7.531 10.946 -2.335
78 HG3 ARG 9 HG1 ARG 9 7.270 9.203 -1.988
79 HD2 ARG 9 HD2 ARG 9 4.960 11.065 -2.861
80 HD3 ARG 9 HD1 ARG 9 5.989 10.150 -4.043
81 HE ARG 9 HE ARG 9 3.971 9.010 -2.194
82 HH11 ARG 9 HH11 ARG 9 6.848 8.468 -4.232
83 HH12 ARG 9 HH12 ARG 9 6.559 6.775 -4.454
84 HH21 ARG 9 HH21 ARG 9 3.583 6.708 -2.501
85 HH22 ARG 9 HH22 ARG 9 4.673 5.761 -3.457
86 H ASN 10 HN ASN 10 9.733 9.716 -0.619
87 HA ASN 10 HA ASN 10 9.092 6.988 -0.405
88 HB2 ASN 10 HB2 ASN 10 11.786 8.422 -0.786
89 HB3 ASN 10 HB1 ASN 10 11.604 6.627 -0.821
90 HD21 ASN 10 HD21 ASN 10 11.804 9.337 -2.809
91 H PHE 11 HN PHE 11 10.091 9.408 1.846
92 HA PHE 11 HA PHE 11 10.682 7.281 3.784
93 HB2 PHE 11 HB2 PHE 11 11.556 10.245 3.787
94 HB3 PHE 11 HB1 PHE 11 11.794 9.110 5.169
95 HD1 PHE 11 HD1 PHE 11 12.947 10.152 1.868
96 HD2 PHE 11 HD2 PHE 11 13.402 7.292 4.982
97 HE1 PHE 11 HE1 PHE 11 15.111 9.476 0.936
98 HE2 PHE 11 HE2 PHE 11 15.564 6.622 4.046
99 HZ PHE 11 HZ PHE 11 16.422 7.712 2.024
100 H ILE 12 HN ILE 12 9.608 10.799 3.837
101 HA ILE 12 HA ILE 12 7.040 10.322 4.427
102 HB ILE 12 HB ILE 12 6.927 10.073 6.634
103 HG12 ILE 12 HG12 ILE 12 6.980 12.620 6.485
104 HG13 ILE 12 HG11 ILE 12 7.270 11.890 8.084
105 HG21 ILE 12 HG21 ILE 12 9.143 10.086 8.078
106 HG22 ILE 12 HG22 ILE 12 9.991 10.195 6.493
107 HG23 ILE 12 HG23 ILE 12 8.921 8.786 6.853
108 HD11 ILE 12 HD11 ILE 12 8.862 13.861 6.871
109 HD12 ILE 12 HD12 ILE 12 9.790 12.349 6.536
110 HD13 ILE 12 HD13 ILE 12 9.377 12.796 8.237
111 H LEU 13 HN LEU 13 6.055 12.332 4.296
112 HA LEU 13 HA LEU 13 7.981 14.440 3.737
113 HB2 LEU 13 HB2 LEU 13 6.793 15.017 1.843
114 HB3 LEU 13 HB1 LEU 13 6.434 13.256 1.921
115 HG LEU 13 HG LEU 13 4.577 15.175 3.334
116 HD11 LEU 13 HD11 LEU 13 3.770 16.224 1.487
117 HD12 LEU 13 HD12 LEU 13 3.840 14.723 0.491
118 HD13 LEU 13 HD13 LEU 13 5.327 15.744 0.692
119 HD21 LEU 13 HD21 LEU 13 4.403 12.622 3.449
120 HD22 LEU 13 HD22 LEU 13 4.057 12.639 1.673
121 HD23 LEU 13 HD23 LEU 13 2.925 13.454 2.817
122 H GLN 14 HN GLN 14 5.247 13.341 5.569
123 HA GLN 14 HA GLN 14 4.009 14.203 7.155
124 HB2 GLN 14 HB2 GLN 14 5.027 15.520 8.901
125 HB3 GLN 14 HB1 GLN 14 6.223 14.329 8.299
126 HG2 GLN 14 HG2 GLN 14 7.397 16.070 6.999
127 HG3 GLN 14 HG1 GLN 14 6.139 17.296 7.436
128 HE21 GLN 14 HE21 GLN 14 6.417 18.449 9.307
129 HE22 GLN 14 HE22 GLN 14 7.555 18.074 10.555
130 H ARG 15 HN ARG 15 4.147 15.851 4.453
131 HA ARG 15 HA ARG 15 2.933 18.235 5.609
132 HB2 ARG 15 HB2 ARG 15 4.327 17.661 3.002
133 HB3 ARG 15 HB1 ARG 15 2.901 18.753 2.909
134 HG2 ARG 15 HG2 ARG 15 4.708 20.241 3.214
135 HG3 ARG 15 HG1 ARG 15 4.013 20.084 4.862
136 HD2 ARG 15 HD2 ARG 15 5.809 18.470 5.508
137 HD3 ARG 15 HD1 ARG 15 6.492 18.528 3.825
138 HE ARG 15 HE ARG 15 6.715 20.634 5.905
139 HH11 ARG 15 HH11 ARG 15 6.922 19.755 2.454
140 HH12 ARG 15 HH12 ARG 15 7.954 21.077 2.025
141 HH21 ARG 15 HH21 ARG 15 8.116 22.424 5.316
142 HH22 ARG 15 HH22 ARG 15 8.645 22.618 3.679
143 H LYS 16 HN LYS 16 2.318 15.213 4.089
144 HA LYS 16 HA LYS 16 -0.449 16.064 3.646
145 HB2 LYS 16 HB2 LYS 16 -0.345 15.082 1.579
146 HB3 LYS 16 HB1 LYS 16 1.378 14.685 1.875
147 HG2 LYS 16 HG2 LYS 16 0.723 12.538 2.955
148 HG3 LYS 16 HG1 LYS 16 -1.016 12.936 2.723
149 HD2 LYS 16 HD2 LYS 16 -0.382 11.415 0.957
150 HD3 LYS 16 HD1 LYS 16 -0.592 13.038 0.215
151 HE2 LYS 16 HE2 LYS 16 1.884 13.377 0.195
152 HE3 LYS 16 HE1 LYS 16 2.120 11.775 1.009
153 HZ1 LYS 16 HZ1 LYS 16 2.301 11.103 -1.086
154 HZ2 LYS 16 HZ2 LYS 16 1.433 12.407 -1.740
155 HZ3 LYS 16 HZ3 LYS 16 0.603 11.089 -1.063
156 H LYS 17 HN LYS 17 1.761 14.404 5.581
157 HA LYS 17 HA LYS 17 -0.157 12.349 6.338
158 HB2 LYS 17 HB2 LYS 17 2.603 12.886 7.578
159 HB3 LYS 17 HB1 LYS 17 1.615 11.390 7.722
160 HG2 LYS 17 HG2 LYS 17 2.896 12.452 5.128
161 HG3 LYS 17 HG1 LYS 17 3.543 11.123 6.149
162 HD2 LYS 17 HD2 LYS 17 1.471 9.787 5.736
163 HD3 LYS 17 HD1 LYS 17 0.798 11.120 4.737
164 HE2 LYS 17 HE2 LYS 17 2.690 10.868 3.108
165 HE3 LYS 17 HE1 LYS 17 3.373 9.521 4.115
166 HZ1 LYS 17 HZ1 LYS 17 0.596 9.170 3.506
167 HZ2 LYS 17 HZ2 LYS 17 1.915 8.126 3.276
168 HZ3 LYS 17 HZ3 LYS 17 1.551 9.306 2.109
Start of MODEL 13
1 H1 GLU 1 HT1 GLU 1 2.655 16.326 -14.985
2 H2 GLU 1 HT2 GLU 1 3.675 15.375 -15.958
3 H3 GLU 1 HT3 GLU 1 3.195 16.917 -16.485
4 HA GLU 1 HA GLU 1 5.501 16.362 -15.282
5 HB2 GLU 1 HB2 GLU 1 5.726 18.830 -14.946
6 HB3 GLU 1 HB1 GLU 1 4.963 18.443 -16.529
7 HG2 GLU 1 HG2 GLU 1 2.678 18.878 -15.515
8 HG3 GLU 1 HG1 GLU 1 3.480 19.345 -13.965
9 H MET 2 HN MET 2 6.542 16.816 -13.208
10 HA MET 2 HA MET 2 4.628 17.082 -11.011
11 HB2 MET 2 HB2 MET 2 6.945 15.083 -11.190
12 HB3 MET 2 HB1 MET 2 6.135 15.540 -9.651
13 HG2 MET 2 HG2 MET 2 3.973 14.679 -10.490
14 HG3 MET 2 HG1 MET 2 4.712 14.286 -12.075
15 HE1 MET 2 HE1 MET 2 3.838 10.833 -10.518
16 HE2 MET 2 HE2 MET 2 3.577 12.022 -11.841
17 HE3 MET 2 HE3 MET 2 2.979 12.376 -10.184
18 H ARG 3 HN ARG 3 5.636 17.823 -9.016
19 HA ARG 3 HA ARG 3 7.980 19.382 -9.661
20 HB2 ARG 3 HB2 ARG 3 5.991 20.803 -9.221
21 HB3 ARG 3 HB1 ARG 3 5.760 19.923 -7.671
22 HG2 ARG 3 HG2 ARG 3 7.854 20.806 -6.770
23 HG3 ARG 3 HG1 ARG 3 8.285 21.546 -8.354
24 HD2 ARG 3 HD2 ARG 3 6.305 23.076 -8.188
25 HD3 ARG 3 HD1 ARG 3 5.864 22.336 -6.589
26 HE ARG 3 HE ARG 3 8.124 24.189 -7.124
27 HH11 ARG 3 HH11 ARG 3 6.622 21.778 -4.968
28 HH12 ARG 3 HH12 ARG 3 7.450 22.311 -3.545
29 HH21 ARG 3 HH21 ARG 3 9.245 24.911 -5.187
30 HH22 ARG 3 HH22 ARG 3 8.965 24.122 -3.672
31 H LEU 4 HN LEU 4 6.216 17.890 -7.023
32 HA LEU 4 HA LEU 4 8.468 17.748 -5.355
33 HB2 LEU 4 HB2 LEU 4 6.250 15.709 -5.162
34 HB3 LEU 4 HB1 LEU 4 7.032 16.645 -3.830
35 HG LEU 4 HG LEU 4 5.792 18.713 -4.899
36 HD11 LEU 4 HD11 LEU 4 4.773 16.526 -6.598
37 HD12 LEU 4 HD12 LEU 4 4.484 18.307 -6.725
38 HD13 LEU 4 HD13 LEU 4 3.420 17.290 -5.679
39 HD21 LEU 4 HD21 LEU 4 5.240 17.985 -2.674
40 HD22 LEU 4 HD22 LEU 4 4.473 16.462 -3.270
41 HD23 LEU 4 HD23 LEU 4 3.669 18.054 -3.561
42 H SER 5 HN SER 5 6.933 15.793 -7.854
43 HA SER 5 HA SER 5 7.493 13.901 -8.838
44 HB2 SER 5 HB2 SER 5 10.331 14.644 -7.907
45 HB3 SER 5 HB1 SER 5 9.976 13.245 -9.000
46 HG SER 5 HG SER 5 9.720 16.008 -9.432
47 H ORN 6 HN ORN 6 10.240 12.974 -6.856
48 HA ORN 6 HA ORN 6 8.461 11.068 -5.497
49 HB2 ORN 6 HB1 ORN 6 11.509 10.848 -5.705
50 HB3 ORN 6 HB2 ORN 6 10.450 10.225 -7.016
51 HG2 ORN 6 HG1 ORN 6 9.762 8.408 -5.789
52 HG3 ORN 6 HG2 ORN 6 9.675 9.332 -4.252
53 HD2 ORN 6 HD2 ORN 6 11.729 7.477 -5.102
54 HD3 ORN 6 HD1 ORN 6 12.490 9.117 -5.074
55 H PHE 7 HN PHE 7 9.402 14.022 -5.010
56 HA PHE 7 HA PHE 7 10.797 15.054 -3.496
57 HB2 PHE 7 HB2 PHE 7 8.978 15.401 -1.585
58 HB3 PHE 7 HB1 PHE 7 8.723 16.051 -3.205
59 HD1 PHE 7 HD1 PHE 7 7.108 14.701 -0.570
60 HD2 PHE 7 HD2 PHE 7 7.579 14.063 -4.745
61 HE1 PHE 7 HE1 PHE 7 4.902 13.754 -0.709
62 HE2 PHE 7 HE2 PHE 7 5.380 13.093 -4.839
63 HZ PHE 7 HZ PHE 7 4.038 12.951 -2.794
64 H PHE 8 HN PHE 8 8.995 13.780 -0.908
65 HA PHE 8 HA PHE 8 11.335 12.268 -0.074
66 HB2 PHE 8 HB2 PHE 8 9.961 13.452 2.238
67 HB3 PHE 8 HB1 PHE 8 11.679 13.737 1.707
68 HD1 PHE 8 HD1 PHE 8 8.240 14.683 1.402
69 HD2 PHE 8 HD2 PHE 8 12.233 15.487 0.328
70 HE1 PHE 8 HE1 PHE 8 7.527 16.677 0.244
71 HE2 PHE 8 HE2 PHE 8 11.517 17.504 -0.792
72 HZ PHE 8 HZ PHE 8 9.135 18.010 -0.859
73 H ARG 9 HN ARG 9 8.322 12.072 -1.151
74 HA ARG 9 HA ARG 9 6.848 10.813 0.824
75 HB2 ARG 9 HB2 ARG 9 5.506 9.752 -0.982
76 HB3 ARG 9 HB1 ARG 9 5.782 11.491 -1.300
77 HG2 ARG 9 HG2 ARG 9 7.634 10.926 -2.878
78 HG3 ARG 9 HG1 ARG 9 7.385 9.178 -2.550
79 HD2 ARG 9 HD2 ARG 9 5.177 11.026 -3.697
80 HD3 ARG 9 HD1 ARG 9 6.282 9.997 -4.712
81 HE ARG 9 HE ARG 9 5.137 8.301 -2.719
82 HH11 ARG 9 HH11 ARG 9 4.164 10.333 -5.477
83 HH12 ARG 9 HH12 ARG 9 2.789 9.371 -5.902
84 HH21 ARG 9 HH21 ARG 9 3.264 6.987 -3.296
85 HH22 ARG 9 HH22 ARG 9 2.269 7.435 -4.640
86 H ASN 10 HN ASN 10 9.683 9.672 -0.906
87 HA ASN 10 HA ASN 10 9.126 6.932 -0.688
88 HB2 ASN 10 HB2 ASN 10 11.786 8.475 -0.687
89 HB3 ASN 10 HB1 ASN 10 11.705 6.676 -0.619
90 HD21 ASN 10 HD21 ASN 10 12.203 9.218 -2.721
91 H PHE 11 HN PHE 11 10.066 9.470 1.591
92 HA PHE 11 HA PHE 11 10.425 7.431 3.660
93 HB2 PHE 11 HB2 PHE 11 10.858 10.489 3.765
94 HB3 PHE 11 HB1 PHE 11 11.149 9.348 5.133
95 HD1 PHE 11 HD1 PHE 11 12.431 10.743 2.034
96 HD2 PHE 11 HD2 PHE 11 12.999 7.741 4.990
97 HE1 PHE 11 HE1 PHE 11 14.740 10.431 1.275
98 HE2 PHE 11 HE2 PHE 11 15.308 7.432 4.229
99 HZ PHE 11 HZ PHE 11 16.180 8.775 2.370
100 H ILE 12 HN ILE 12 8.821 10.739 3.309
101 HA ILE 12 HA ILE 12 6.306 9.769 3.686
102 HB ILE 12 HB ILE 12 6.022 11.233 5.885
103 HG12 ILE 12 HG12 ILE 12 7.751 10.653 7.557
104 HG13 ILE 12 HG11 ILE 12 8.761 9.919 6.271
105 HG21 ILE 12 HG21 ILE 12 5.575 8.635 5.181
106 HG22 ILE 12 HG22 ILE 12 5.333 9.245 6.858
107 HG23 ILE 12 HG23 ILE 12 6.849 8.372 6.430
108 HD11 ILE 12 HD11 ILE 12 7.836 12.827 6.003
109 HD12 ILE 12 HD12 ILE 12 9.299 12.027 5.313
110 HD13 ILE 12 HD13 ILE 12 9.230 12.419 7.073
111 H LEU 13 HN LEU 13 4.835 11.376 3.970
112 HA LEU 13 HA LEU 13 5.108 14.002 3.997
113 HB2 LEU 13 HB2 LEU 13 6.499 13.288 1.686
114 HB3 LEU 13 HB1 LEU 13 4.848 13.655 1.075
115 HG LEU 13 HG LEU 13 6.313 15.653 1.115
116 HD11 LEU 13 HD11 LEU 13 4.728 17.193 2.300
117 HD12 LEU 13 HD12 LEU 13 3.951 15.762 3.080
118 HD13 LEU 13 HD13 LEU 13 3.876 15.965 1.288
119 HD21 LEU 13 HD21 LEU 13 7.045 14.625 3.720
120 HD22 LEU 13 HD22 LEU 13 6.290 16.246 3.965
121 HD23 LEU 13 HD23 LEU 13 7.704 16.075 2.864
122 H GLN 14 HN GLN 14 3.385 12.251 4.895
123 HA GLN 14 HA GLN 14 1.041 12.663 3.175
124 HB2 GLN 14 HB2 GLN 14 0.122 10.533 3.805
125 HB3 GLN 14 HB1 GLN 14 1.829 10.208 3.344
126 HG2 GLN 14 HG2 GLN 14 2.459 10.330 5.826
127 HG3 GLN 14 HG1 GLN 14 0.692 10.426 6.208
128 HE21 GLN 14 HE21 GLN 14 -0.431 8.530 6.386
129 HE22 GLN 14 HE22 GLN 14 0.119 6.983 5.840
130 H ARG 15 HN ARG 15 2.591 13.706 5.897
131 HA ARG 15 HA ARG 15 0.056 13.974 7.319
132 HB2 ARG 15 HB2 ARG 15 2.637 14.393 8.822
133 HB3 ARG 15 HB1 ARG 15 1.057 13.780 9.422
134 HG2 ARG 15 HG2 ARG 15 2.440 11.892 9.540
135 HG3 ARG 15 HG1 ARG 15 1.585 11.655 7.975
136 HD2 ARG 15 HD2 ARG 15 3.499 12.197 6.684
137 HD3 ARG 15 HD1 ARG 15 4.285 13.118 8.033
138 HE ARG 15 HE ARG 15 4.314 10.175 7.649
139 HH11 ARG 15 HH11 ARG 15 4.757 12.941 9.857
140 HH12 ARG 15 HH12 ARG 15 5.788 12.090 10.959
141 HH21 ARG 15 HH21 ARG 15 5.713 9.025 9.150
142 HH22 ARG 15 HH22 ARG 15 6.340 9.830 10.549
143 H LYS 16 HN LYS 16 1.522 15.873 9.201
144 HA LYS 16 HA LYS 16 0.983 18.244 7.795
145 HB2 LYS 16 HB2 LYS 16 2.047 19.389 9.738
146 HB3 LYS 16 HB1 LYS 16 0.892 18.131 10.293
147 HG2 LYS 16 HG2 LYS 16 2.820 16.547 10.600
148 HG3 LYS 16 HG1 LYS 16 3.944 17.864 10.116
149 HD2 LYS 16 HD2 LYS 16 3.190 19.243 12.034
150 HD3 LYS 16 HD1 LYS 16 2.001 17.973 12.501
151 HE2 LYS 16 HE2 LYS 16 3.861 16.352 12.856
152 HE3 LYS 16 HE1 LYS 16 5.062 17.626 12.390
153 HZ1 LYS 16 HZ1 LYS 16 4.812 18.668 14.332
154 HZ2 LYS 16 HZ2 LYS 16 4.285 17.148 14.876
155 HZ3 LYS 16 HZ3 LYS 16 3.151 18.344 14.465
156 H LYS 17 HN LYS 17 3.529 16.023 7.751
157 HA LYS 17 HA LYS 17 5.754 17.638 7.464
158 HB2 LYS 17 HB2 LYS 17 5.001 14.900 6.309
159 HB3 LYS 17 HB1 LYS 17 6.555 15.688 5.863
160 HG2 LYS 17 HG2 LYS 17 5.662 14.984 8.724
161 HG3 LYS 17 HG1 LYS 17 6.832 14.052 7.728
162 HD2 LYS 17 HD2 LYS 17 8.321 15.322 8.969
163 HD3 LYS 17 HD1 LYS 17 8.080 16.442 7.584
164 HE2 LYS 17 HE2 LYS 17 7.062 18.033 8.899
165 HE3 LYS 17 HE1 LYS 17 6.063 16.808 9.788
166 HZ1 LYS 17 HZ1 LYS 17 8.888 17.594 10.275
167 HZ2 LYS 17 HZ2 LYS 17 8.175 16.216 10.967
168 HZ3 LYS 17 HZ3 LYS 17 7.548 17.758 11.303
Start of MODEL 14
1 H1 GLU 1 HT1 GLU 1 5.032 15.140 -16.477
2 H2 GLU 1 HT2 GLU 1 5.536 14.821 -14.887
3 H3 GLU 1 HT3 GLU 1 5.951 16.291 -15.631
4 HA GLU 1 HA GLU 1 3.917 17.187 -15.404
5 HB2 GLU 1 HB2 GLU 1 1.811 15.867 -15.144
6 HB3 GLU 1 HB1 GLU 1 2.716 15.384 -16.621
7 HG2 GLU 1 HG2 GLU 1 3.684 13.405 -15.366
8 HG3 GLU 1 HG1 GLU 1 2.700 13.868 -13.922
9 H MET 2 HN MET 2 6.021 16.232 -13.409
10 HA MET 2 HA MET 2 4.288 16.560 -11.073
11 HB2 MET 2 HB2 MET 2 6.665 14.641 -11.326
12 HB3 MET 2 HB1 MET 2 5.958 15.160 -9.756
13 HG2 MET 2 HG2 MET 2 3.715 14.238 -10.548
14 HG3 MET 2 HG1 MET 2 4.553 13.571 -11.986
15 HE1 MET 2 HE1 MET 2 6.661 10.745 -10.992
16 HE2 MET 2 HE2 MET 2 7.405 12.377 -10.900
17 HE3 MET 2 HE3 MET 2 6.170 12.024 -12.157
18 H ARG 3 HN ARG 3 5.366 17.518 -9.247
19 HA ARG 3 HA ARG 3 7.645 19.057 -10.135
20 HB2 ARG 3 HB2 ARG 3 5.671 20.499 -9.749
21 HB3 ARG 3 HB1 ARG 3 5.471 19.735 -8.134
22 HG2 ARG 3 HG2 ARG 3 7.535 20.712 -7.311
23 HG3 ARG 3 HG1 ARG 3 7.997 21.287 -8.953
24 HD2 ARG 3 HD2 ARG 3 6.106 22.893 -8.971
25 HD3 ARG 3 HD1 ARG 3 5.523 22.264 -7.366
26 HE ARG 3 HE ARG 3 8.232 23.008 -6.982
27 HH11 ARG 3 HH11 ARG 3 5.163 24.504 -7.997
28 HH12 ARG 3 HH12 ARG 3 5.543 26.074 -7.373
29 HH21 ARG 3 HH21 ARG 3 8.750 25.142 -6.133
30 HH22 ARG 3 HH22 ARG 3 7.618 26.443 -6.295
31 H LEU 4 HN LEU 4 6.005 17.718 -7.344
32 HA LEU 4 HA LEU 4 8.275 17.805 -5.710
33 HB2 LEU 4 HB2 LEU 4 6.163 15.676 -5.354
34 HB3 LEU 4 HB1 LEU 4 6.925 16.722 -4.093
35 HG LEU 4 HG LEU 4 5.573 18.668 -5.243
36 HD11 LEU 4 HD11 LEU 4 3.257 17.103 -5.914
37 HD12 LEU 4 HD12 LEU 4 4.628 16.355 -6.816
38 HD13 LEU 4 HD13 LEU 4 4.260 18.114 -7.026
39 HD21 LEU 4 HD21 LEU 4 4.319 16.442 -3.517
40 HD22 LEU 4 HD22 LEU 4 3.525 18.038 -3.824
41 HD23 LEU 4 HD23 LEU 4 5.113 17.969 -2.965
42 H SER 5 HN SER 5 6.837 15.599 -8.052
43 HA SER 5 HA SER 5 7.523 13.689 -8.916
44 HB2 SER 5 HB2 SER 5 9.612 15.084 -9.478
45 HB3 SER 5 HB1 SER 5 10.378 14.388 -8.000
46 HG SER 5 HG SER 5 10.668 13.342 -10.161
47 H ORN 6 HN ORN 6 10.348 12.924 -7.048
48 HA ORN 6 HA ORN 6 8.679 11.123 -5.436
49 HB2 ORN 6 HB1 ORN 6 11.711 10.889 -5.736
50 HB3 ORN 6 HB2 ORN 6 10.636 10.248 -7.025
51 HG2 ORN 6 HG1 ORN 6 9.996 8.443 -5.774
52 HG3 ORN 6 HG2 ORN 6 9.824 9.411 -4.271
53 HD2 ORN 6 HD2 ORN 6 11.938 7.567 -4.958
54 HD3 ORN 6 HD1 ORN 6 12.676 9.218 -4.981
55 H PHE 7 HN PHE 7 9.332 14.070 -5.076
56 HA PHE 7 HA PHE 7 10.900 15.211 -3.685
57 HB2 PHE 7 HB2 PHE 7 9.039 15.802 -1.908
58 HB3 PHE 7 HB1 PHE 7 8.767 16.193 -3.617
59 HD1 PHE 7 HD1 PHE 7 7.344 14.997 -0.774
60 HD2 PHE 7 HD2 PHE 7 7.567 14.150 -4.894
61 HE1 PHE 7 HE1 PHE 7 5.193 13.935 -0.661
62 HE2 PHE 7 HE2 PHE 7 5.397 13.085 -4.788
63 HZ PHE 7 HZ PHE 7 4.213 12.993 -2.637
64 H PHE 8 HN PHE 8 8.980 14.211 -1.060
65 HA PHE 8 HA PHE 8 11.272 12.795 0.050
66 HB2 PHE 8 HB2 PHE 8 9.589 14.051 2.131
67 HB3 PHE 8 HB1 PHE 8 11.354 14.345 1.806
68 HD1 PHE 8 HD1 PHE 8 8.024 15.446 1.339
69 HD2 PHE 8 HD2 PHE 8 12.011 15.840 0.069
70 HE1 PHE 8 HE1 PHE 8 7.379 17.297 -0.018
71 HE2 PHE 8 HE2 PHE 8 11.380 17.755 -1.254
72 HZ PHE 8 HZ PHE 8 9.037 18.408 -1.321
73 H ARG 9 HN ARG 9 8.589 12.405 -1.400
74 HA ARG 9 HA ARG 9 6.708 11.208 0.204
75 HB2 ARG 9 HB2 ARG 9 6.603 11.731 -2.342
76 HB3 ARG 9 HB1 ARG 9 7.481 10.195 -2.580
77 HG2 ARG 9 HG2 ARG 9 5.669 8.901 -1.603
78 HG3 ARG 9 HG1 ARG 9 4.820 10.389 -1.058
79 HD2 ARG 9 HD2 ARG 9 3.684 9.582 -3.087
80 HD3 ARG 9 HD1 ARG 9 4.628 11.066 -3.563
81 HE ARG 9 HE ARG 9 6.294 8.739 -3.929
82 HH11 ARG 9 HH11 ARG 9 3.366 10.322 -5.195
83 HH12 ARG 9 HH12 ARG 9 3.561 9.739 -6.813
84 HH21 ARG 9 HH21 ARG 9 6.563 7.944 -6.130
85 HH22 ARG 9 HH22 ARG 9 5.412 8.363 -7.354
86 H ASN 10 HN ASN 10 9.789 9.911 -1.116
87 HA ASN 10 HA ASN 10 9.212 7.228 -0.652
88 HB2 ASN 10 HB2 ASN 10 11.879 8.751 -0.598
89 HB3 ASN 10 HB1 ASN 10 11.768 6.961 -0.417
90 HD21 ASN 10 HD21 ASN 10 12.223 9.478 -2.652
91 H PHE 11 HN PHE 11 10.002 9.907 1.547
92 HA PHE 11 HA PHE 11 10.425 7.982 3.689
93 HB2 PHE 11 HB2 PHE 11 10.428 11.068 3.715
94 HB3 PHE 11 HB1 PHE 11 10.751 10.025 5.153
95 HD1 PHE 11 HD1 PHE 11 12.084 11.436 2.076
96 HD2 PHE 11 HD2 PHE 11 12.796 8.685 5.239
97 HE1 PHE 11 HE1 PHE 11 14.467 11.392 1.505
98 HE2 PHE 11 HE2 PHE 11 15.178 8.644 4.664
99 HZ PHE 11 HZ PHE 11 16.016 9.997 2.797
100 H ILE 12 HN ILE 12 8.397 11.016 3.263
101 HA ILE 12 HA ILE 12 5.993 9.675 3.557
102 HB ILE 12 HB ILE 12 5.571 11.179 5.810
103 HG12 ILE 12 HG12 ILE 12 7.265 10.333 7.502
104 HG13 ILE 12 HG11 ILE 12 8.329 9.851 6.139
105 HG21 ILE 12 HG21 ILE 12 4.749 8.858 5.170
106 HG22 ILE 12 HG22 ILE 12 5.177 9.041 6.912
107 HG23 ILE 12 HG23 ILE 12 6.302 8.187 5.795
108 HD11 ILE 12 HD11 ILE 12 8.786 12.171 7.244
109 HD12 ILE 12 HD12 ILE 12 7.276 12.735 6.437
110 HD13 ILE 12 HD13 ILE 12 8.665 12.149 5.445
111 H LEU 13 HN LEU 13 8.002 12.512 3.842
112 HA LEU 13 HA LEU 13 7.812 14.425 2.844
113 HB2 LEU 13 HB2 LEU 13 6.508 14.488 0.980
114 HB3 LEU 13 HB1 LEU 13 5.563 13.093 1.591
115 HG LEU 13 HG LEU 13 4.854 15.727 2.848
116 HD11 LEU 13 HD11 LEU 13 3.988 16.862 1.026
117 HD12 LEU 13 HD12 LEU 13 3.839 15.376 0.016
118 HD13 LEU 13 HD13 LEU 13 5.462 16.132 0.276
119 HD21 LEU 13 HD21 LEU 13 3.626 13.635 3.286
120 HD22 LEU 13 HD22 LEU 13 3.260 13.454 1.529
121 HD23 LEU 13 HD23 LEU 13 2.556 14.835 2.461
122 H GLN 14 HN GLN 14 5.633 13.160 5.232
123 HA GLN 14 HA GLN 14 5.006 14.021 7.156
124 HB2 GLN 14 HB2 GLN 14 7.305 15.492 6.710
125 HB3 GLN 14 HB1 GLN 14 6.077 16.802 6.778
126 HG2 GLN 14 HG2 GLN 14 5.341 16.096 9.011
127 HG3 GLN 14 HG1 GLN 14 6.372 14.609 8.925
128 HE21 GLN 14 HE21 GLN 14 8.438 14.749 9.722
129 HE22 GLN 14 HE22 GLN 14 9.287 16.219 10.058
130 H ARG 15 HN ARG 15 4.304 16.874 7.659
131 HA ARG 15 HA ARG 15 2.674 18.291 7.324
132 HB2 ARG 15 HB2 ARG 15 2.714 17.153 4.513
133 HB3 ARG 15 HB1 ARG 15 1.345 18.201 5.021
134 HG2 ARG 15 HG2 ARG 15 2.932 19.659 3.987
135 HG3 ARG 15 HG1 ARG 15 3.084 19.942 5.756
136 HD2 ARG 15 HD2 ARG 15 4.935 17.785 5.030
137 HD3 ARG 15 HD1 ARG 15 5.180 19.174 3.885
138 HE ARG 15 HE ARG 15 5.661 19.181 6.819
139 HH11 ARG 15 HH11 ARG 15 5.152 21.047 3.819
140 HH12 ARG 15 HH12 ARG 15 5.948 22.474 4.392
141 HH21 ARG 15 HH21 ARG 15 6.743 21.122 7.590
142 HH22 ARG 15 HH22 ARG 15 6.867 22.517 6.572
143 H LYS 16 HN LYS 16 1.270 15.710 5.317
144 HA LYS 16 HA LYS 16 -1.109 15.720 6.783
145 HB2 LYS 16 HB2 LYS 16 -0.937 14.834 4.436
146 HB3 LYS 16 HB1 LYS 16 0.119 13.515 5.044
147 HG2 LYS 16 HG2 LYS 16 -1.726 12.591 6.396
148 HG3 LYS 16 HG1 LYS 16 -2.790 13.971 5.944
149 HD2 LYS 16 HD2 LYS 16 -3.341 11.997 4.575
150 HD3 LYS 16 HD1 LYS 16 -2.644 13.291 3.537
151 HE2 LYS 16 HE2 LYS 16 -0.423 12.145 3.554
152 HE3 LYS 16 HE1 LYS 16 -1.086 10.857 4.648
153 HZ1 LYS 16 HZ1 LYS 16 -1.161 10.965 1.885
154 HZ2 LYS 16 HZ2 LYS 16 -2.763 11.197 2.397
155 HZ3 LYS 16 HZ3 LYS 16 -1.897 9.830 2.910
156 H LYS 17 HN LYS 17 1.961 14.037 6.996
157 HA LYS 17 HA LYS 17 0.987 12.141 8.921
158 HB2 LYS 17 HB2 LYS 17 3.622 12.765 7.575
159 HB3 LYS 17 HB1 LYS 17 3.706 11.990 9.195
160 HG2 LYS 17 HG2 LYS 17 3.722 10.149 7.753
161 HG3 LYS 17 HG1 LYS 17 1.987 10.266 8.215
162 HD2 LYS 17 HD2 LYS 17 1.924 11.849 6.000
163 HD3 LYS 17 HD1 LYS 17 3.338 10.835 5.560
164 HE2 LYS 17 HE2 LYS 17 0.544 9.761 6.349
165 HE3 LYS 17 HE1 LYS 17 1.209 9.866 4.665
166 HZ1 LYS 17 HZ1 LYS 17 1.459 7.788 6.404
167 HZ2 LYS 17 HZ2 LYS 17 2.981 8.539 6.478
168 HZ3 LYS 17 HZ3 LYS 17 2.355 8.035 4.982
Start of MODEL 15
1 H1 GLU 1 HT1 GLU 1 6.213 13.758 -17.319
2 H2 GLU 1 HT2 GLU 1 5.153 13.406 -16.038
3 H3 GLU 1 HT3 GLU 1 6.831 13.443 -15.769
4 HA GLU 1 HA GLU 1 6.956 15.731 -16.034
5 HB2 GLU 1 HB2 GLU 1 5.369 15.817 -18.003
6 HB3 GLU 1 HB1 GLU 1 3.996 15.613 -16.860
7 HG2 GLU 1 HG2 GLU 1 4.556 17.787 -15.751
8 HG3 GLU 1 HG1 GLU 1 5.978 17.992 -16.848
9 H MET 2 HN MET 2 7.324 15.619 -13.765
10 HA MET 2 HA MET 2 4.885 16.110 -12.219
11 HB2 MET 2 HB2 MET 2 7.236 14.321 -11.399
12 HB3 MET 2 HB1 MET 2 5.972 14.920 -10.271
13 HG2 MET 2 HG2 MET 2 4.217 13.715 -11.531
14 HG3 MET 2 HG1 MET 2 5.416 13.185 -12.752
15 HE1 MET 2 HE1 MET 2 4.312 11.828 -8.635
16 HE2 MET 2 HE2 MET 2 4.302 13.483 -9.335
17 HE3 MET 2 HE3 MET 2 5.742 12.898 -8.432
18 H ARG 3 HN ARG 3 5.288 17.277 -10.226
19 HA ARG 3 HA ARG 3 7.580 18.976 -10.607
20 HB2 ARG 3 HB2 ARG 3 5.411 20.164 -10.572
21 HB3 ARG 3 HB1 ARG 3 5.017 19.334 -9.028
22 HG2 ARG 3 HG2 ARG 3 5.703 21.662 -8.590
23 HG3 ARG 3 HG1 ARG 3 6.892 20.512 -7.889
24 HD2 ARG 3 HD2 ARG 3 8.451 20.904 -9.806
25 HD3 ARG 3 HD1 ARG 3 7.233 22.014 -10.581
26 HE ARG 3 HE ARG 3 7.634 23.013 -7.965
27 HH11 ARG 3 HH11 ARG 3 9.572 22.291 -10.866
28 HH12 ARG 3 HH12 ARG 3 10.731 23.549 -10.594
29 HH21 ARG 3 HH21 ARG 3 9.212 24.725 -7.594
30 HH22 ARG 3 HH22 ARG 3 10.522 24.955 -8.702
31 H LEU 4 HN LEU 4 5.679 17.399 -8.116
32 HA LEU 4 HA LEU 4 7.628 17.721 -6.131
33 HB2 LEU 4 HB2 LEU 4 5.773 15.342 -6.129
34 HB3 LEU 4 HB1 LEU 4 6.194 16.447 -4.762
35 HG LEU 4 HG LEU 4 4.807 18.239 -6.084
36 HD11 LEU 4 HD11 LEU 4 3.878 17.594 -8.065
37 HD12 LEU 4 HD12 LEU 4 2.829 16.451 -7.140
38 HD13 LEU 4 HD13 LEU 4 4.401 15.880 -7.815
39 HD21 LEU 4 HD21 LEU 4 2.648 17.295 -5.030
40 HD22 LEU 4 HD22 LEU 4 4.070 17.440 -3.926
41 HD23 LEU 4 HD23 LEU 4 3.606 15.826 -4.594
42 H SER 5 HN SER 5 6.875 15.397 -8.676
43 HA SER 5 HA SER 5 7.859 13.474 -9.267
44 HB2 SER 5 HB2 SER 5 9.489 15.259 -10.128
45 HB3 SER 5 HB1 SER 5 10.477 14.976 -8.644
46 HG SER 5 HG SER 5 10.913 13.776 -10.716
47 H ORN 6 HN ORN 6 10.878 13.667 -7.574
48 HA ORN 6 HA ORN 6 9.863 11.683 -5.679
49 HB2 ORN 6 HB1 ORN 6 12.745 12.433 -6.481
50 HB3 ORN 6 HB2 ORN 6 11.867 10.962 -7.020
51 HG2 ORN 6 HG1 ORN 6 12.621 11.622 -4.099
52 HG3 ORN 6 HG2 ORN 6 13.528 10.518 -5.183
53 HD2 ORN 6 HD2 ORN 6 10.594 9.877 -4.936
54 HD3 ORN 6 HD1 ORN 6 12.036 8.787 -4.901
55 H PHE 7 HN PHE 7 8.769 13.797 -4.808
56 HA PHE 7 HA PHE 7 10.350 15.645 -3.572
57 HB2 PHE 7 HB2 PHE 7 8.107 16.068 -2.274
58 HB3 PHE 7 HB1 PHE 7 8.120 16.323 -4.031
59 HD1 PHE 7 HD1 PHE 7 6.339 15.130 -1.417
60 HD2 PHE 7 HD2 PHE 7 7.402 14.062 -5.349
61 HE1 PHE 7 HE1 PHE 7 4.322 13.864 -1.605
62 HE2 PHE 7 HE2 PHE 7 5.368 12.755 -5.534
63 HZ PHE 7 HZ PHE 7 3.827 12.677 -3.627
64 H PHE 8 HN PHE 8 8.144 14.658 -1.197
65 HA PHE 8 HA PHE 8 10.361 13.476 0.292
66 HB2 PHE 8 HB2 PHE 8 8.217 14.518 2.013
67 HB3 PHE 8 HB1 PHE 8 9.941 15.084 1.925
68 HD1 PHE 8 HD1 PHE 8 6.577 15.549 0.820
69 HD2 PHE 8 HD2 PHE 8 10.608 16.665 0.320
70 HE1 PHE 8 HE1 PHE 8 5.896 17.240 -0.720
71 HE2 PHE 8 HE2 PHE 8 9.913 18.414 -1.189
72 HZ PHE 8 HZ PHE 8 7.549 18.616 -1.729
73 H ARG 9 HN ARG 9 7.810 12.691 -1.471
74 HA ARG 9 HA ARG 9 6.079 11.219 0.096
75 HB2 ARG 9 HB2 ARG 9 5.940 11.728 -2.443
76 HB3 ARG 9 HB1 ARG 9 7.039 10.343 -2.672
77 HG2 ARG 9 HG2 ARG 9 5.406 8.817 -1.632
78 HG3 ARG 9 HG1 ARG 9 4.313 10.194 -1.259
79 HD2 ARG 9 HD2 ARG 9 4.071 10.658 -3.745
80 HD3 ARG 9 HD1 ARG 9 5.106 9.202 -4.088
81 HE ARG 9 HE ARG 9 2.303 9.193 -3.118
82 HH11 ARG 9 HH11 ARG 9 5.380 7.423 -3.482
83 HH12 ARG 9 HH12 ARG 9 4.657 5.850 -3.404
84 HH21 ARG 9 HH21 ARG 9 1.330 7.056 -3.012
85 HH22 ARG 9 HH22 ARG 9 2.319 5.639 -3.133
86 H ASN 10 HN ASN 10 9.354 10.446 -1.108
87 HA ASN 10 HA ASN 10 9.194 7.694 -0.700
88 HB2 ASN 10 HB2 ASN 10 11.596 9.607 -0.517
89 HB3 ASN 10 HB1 ASN 10 11.738 7.810 -0.463
90 HD21 ASN 10 HD21 ASN 10 11.944 10.481 -2.505
91 H PHE 11 HN PHE 11 9.375 10.419 1.543
92 HA PHE 11 HA PHE 11 10.049 8.550 3.688
93 HB2 PHE 11 HB2 PHE 11 9.689 11.615 3.738
94 HB3 PHE 11 HB1 PHE 11 10.128 10.598 5.164
95 HD1 PHE 11 HD1 PHE 11 11.299 12.216 2.126
96 HD2 PHE 11 HD2 PHE 11 12.322 9.513 5.245
97 HE1 PHE 11 HE1 PHE 11 13.673 12.480 1.578
98 HE2 PHE 11 HE2 PHE 11 14.696 9.780 4.693
99 HZ PHE 11 HZ PHE 11 15.373 11.262 2.860
100 H ILE 12 HN ILE 12 7.684 11.297 3.087
101 HA ILE 12 HA ILE 12 5.495 9.599 3.579
102 HB ILE 12 HB ILE 12 4.924 11.591 5.483
103 HG12 ILE 12 HG12 ILE 12 6.674 10.889 7.288
104 HG13 ILE 12 HG11 ILE 12 7.722 10.408 5.922
105 HG21 ILE 12 HG21 ILE 12 5.314 8.571 5.435
106 HG22 ILE 12 HG22 ILE 12 3.822 9.549 5.723
107 HG23 ILE 12 HG23 ILE 12 5.065 9.394 7.023
108 HD11 ILE 12 HD11 ILE 12 6.444 13.189 5.898
109 HD12 ILE 12 HD12 ILE 12 7.990 12.628 5.151
110 HD13 ILE 12 HD13 ILE 12 7.889 12.875 6.935
111 H LEU 13 HN LEU 13 6.761 12.915 3.714
112 HA LEU 13 HA LEU 13 6.346 14.562 2.321
113 HB2 LEU 13 HB2 LEU 13 5.514 14.044 0.260
114 HB3 LEU 13 HB1 LEU 13 4.838 12.519 0.919
115 HG LEU 13 HG LEU 13 3.070 13.684 -0.161
116 HD11 LEU 13 HD11 LEU 13 2.080 14.630 2.460
117 HD12 LEU 13 HD12 LEU 13 2.823 12.988 2.547
118 HD13 LEU 13 HD13 LEU 13 1.481 13.311 1.386
119 HD21 LEU 13 HD21 LEU 13 2.978 16.221 1.387
120 HD22 LEU 13 HD22 LEU 13 2.862 15.925 -0.389
121 HD23 LEU 13 HD23 LEU 13 4.483 16.034 0.401
122 H GLN 14 HN GLN 14 4.131 13.091 4.533
123 HA GLN 14 HA GLN 14 2.413 15.375 4.580
124 HB2 GLN 14 HB2 GLN 14 2.485 12.710 5.829
125 HB3 GLN 14 HB1 GLN 14 2.100 13.981 7.033
126 HG2 GLN 14 HG2 GLN 14 0.629 14.193 4.402
127 HG3 GLN 14 HG1 GLN 14 0.204 12.773 5.446
128 HE21 GLN 14 HE21 GLN 14 -1.927 13.880 5.693
129 HE22 GLN 14 HE22 GLN 14 -2.100 15.131 6.877
130 H ARG 15 HN ARG 15 2.010 16.274 7.030
131 HA ARG 15 HA ARG 15 4.687 17.140 7.823
132 HB2 ARG 15 HB2 ARG 15 1.995 18.553 7.765
133 HB3 ARG 15 HB1 ARG 15 3.239 19.069 8.956
134 HG2 ARG 15 HG2 ARG 15 3.384 20.491 6.967
135 HG3 ARG 15 HG1 ARG 15 4.861 19.481 7.094
136 HD2 ARG 15 HD2 ARG 15 3.894 19.685 4.709
137 HD3 ARG 15 HD1 ARG 15 4.067 17.974 5.291
138 HE ARG 15 HE ARG 15 1.701 17.782 5.320
139 HH11 ARG 15 HH11 ARG 15 2.718 21.183 4.937
140 HH12 ARG 15 HH12 ARG 15 1.133 21.774 4.564
141 HH21 ARG 15 HH21 ARG 15 -0.450 18.594 4.812
142 HH22 ARG 15 HH22 ARG 15 -0.696 20.277 4.492
143 H LYS 16 HN LYS 16 1.759 15.536 8.741
144 HA LYS 16 HA LYS 16 2.837 15.376 11.471
145 HB2 LYS 16 HB2 LYS 16 0.418 14.864 12.151
146 HB3 LYS 16 HB1 LYS 16 0.765 16.573 11.720
147 HG2 LYS 16 HG2 LYS 16 -0.551 16.524 9.847
148 HG3 LYS 16 HG1 LYS 16 -0.042 14.855 9.410
149 HD2 LYS 16 HD2 LYS 16 -1.911 15.391 11.783
150 HD3 LYS 16 HD1 LYS 16 -2.537 15.259 10.101
151 HE2 LYS 16 HE2 LYS 16 -1.561 12.971 9.890
152 HE3 LYS 16 HE1 LYS 16 -0.863 13.098 11.559
153 HZ1 LYS 16 HZ1 LYS 16 -2.827 12.690 12.460
154 HZ2 LYS 16 HZ2 LYS 16 -3.272 12.091 10.934
155 HZ3 LYS 16 HZ3 LYS 16 -3.691 13.675 11.380
156 H LYS 17 HN LYS 17 2.110 13.911 8.555
157 HA LYS 17 HA LYS 17 1.468 11.815 7.931
158 HB2 LYS 17 HB2 LYS 17 3.328 10.132 8.532
159 HB3 LYS 17 HB1 LYS 17 3.847 11.639 7.699
160 HG2 LYS 17 HG2 LYS 17 3.833 11.958 10.651
161 HG3 LYS 17 HG1 LYS 17 4.849 10.576 10.136
162 HD2 LYS 17 HD2 LYS 17 6.048 12.824 10.333
163 HD3 LYS 17 HD1 LYS 17 6.255 11.967 8.775
164 HE2 LYS 17 HE2 LYS 17 4.712 13.485 7.625
165 HE3 LYS 17 HE1 LYS 17 4.159 14.195 9.206
166 HZ1 LYS 17 HZ1 LYS 17 6.034 15.250 7.675
167 HZ2 LYS 17 HZ2 LYS 17 7.021 14.283 8.672
168 HZ3 LYS 17 HZ3 LYS 17 5.985 15.437 9.366
Start of MODEL 16
1 H1 GLU 1 HT1 GLU 1 5.776 15.406 -15.985
2 H2 GLU 1 HT2 GLU 1 6.600 15.541 -14.505
3 H3 GLU 1 HT3 GLU 1 7.000 16.570 -15.797
4 HA GLU 1 HA GLU 1 5.636 18.039 -14.961
5 HB2 GLU 1 HB2 GLU 1 3.601 15.858 -15.688
6 HB3 GLU 1 HB1 GLU 1 3.113 17.519 -15.198
7 HG2 GLU 1 HG2 GLU 1 4.300 18.506 -17.139
8 HG3 GLU 1 HG1 GLU 1 4.947 16.884 -17.607
9 H MET 2 HN MET 2 6.831 17.144 -12.804
10 HA MET 2 HA MET 2 4.622 16.775 -10.923
11 HB2 MET 2 HB2 MET 2 7.311 15.307 -10.887
12 HB3 MET 2 HB1 MET 2 6.219 15.428 -9.464
13 HG2 MET 2 HG2 MET 2 4.387 14.346 -10.867
14 HG3 MET 2 HG1 MET 2 5.598 14.082 -12.162
15 HE1 MET 2 HE1 MET 2 7.422 12.719 -12.236
16 HE2 MET 2 HE2 MET 2 7.982 11.469 -11.072
17 HE3 MET 2 HE3 MET 2 8.312 13.206 -10.751
18 H ARG 3 HN ARG 3 5.102 17.534 -8.777
19 HA ARG 3 HA ARG 3 7.133 19.583 -8.895
20 HB2 ARG 3 HB2 ARG 3 4.824 20.474 -8.670
21 HB3 ARG 3 HB1 ARG 3 4.616 19.421 -7.228
22 HG2 ARG 3 HG2 ARG 3 6.309 20.637 -5.982
23 HG3 ARG 3 HG1 ARG 3 6.793 21.580 -7.437
24 HD2 ARG 3 HD2 ARG 3 3.974 21.694 -6.192
25 HD3 ARG 3 HD1 ARG 3 5.307 22.869 -5.812
26 HE ARG 3 HE ARG 3 5.056 22.744 -8.655
27 HH11 ARG 3 HH11 ARG 3 3.180 23.680 -5.775
28 HH12 ARG 3 HH12 ARG 3 2.264 24.911 -6.580
29 HH21 ARG 3 HH21 ARG 3 3.812 24.419 -9.751
30 HH22 ARG 3 HH22 ARG 3 2.630 25.336 -8.880
31 H LEU 4 HN LEU 4 5.400 17.458 -6.728
32 HA LEU 4 HA LEU 4 7.340 17.587 -4.710
33 HB2 LEU 4 HB2 LEU 4 5.631 15.134 -5.089
34 HB3 LEU 4 HB1 LEU 4 5.963 16.049 -3.562
35 HG LEU 4 HG LEU 4 4.487 17.928 -4.706
36 HD11 LEU 4 HD11 LEU 4 4.252 15.747 -6.677
37 HD12 LEU 4 HD12 LEU 4 3.594 17.430 -6.747
38 HD13 LEU 4 HD13 LEU 4 2.638 16.117 -5.960
39 HD21 LEU 4 HD21 LEU 4 3.682 17.003 -2.687
40 HD22 LEU 4 HD22 LEU 4 3.569 15.334 -3.368
41 HD23 LEU 4 HD23 LEU 4 2.364 16.590 -3.849
42 H SER 5 HN SER 5 6.698 15.643 -7.594
43 HA SER 5 HA SER 5 7.806 13.936 -8.514
44 HB2 SER 5 HB2 SER 5 9.474 15.879 -8.868
45 HB3 SER 5 HB1 SER 5 10.363 15.266 -7.421
46 HG SER 5 HG SER 5 10.980 14.535 -9.629
47 H ORN 6 HN ORN 6 10.732 13.622 -6.760
48 HA ORN 6 HA ORN 6 9.472 11.523 -5.154
49 HB2 ORN 6 HB1 ORN 6 12.492 11.971 -5.472
50 HB3 ORN 6 HB2 ORN 6 11.564 10.974 -6.646
51 HG2 ORN 6 HG1 ORN 6 11.633 9.186 -5.251
52 HG3 ORN 6 HG2 ORN 6 10.853 10.133 -3.940
53 HD2 ORN 6 HD2 ORN 6 13.718 9.345 -4.284
54 HD3 ORN 6 HD1 ORN 6 13.508 11.096 -3.884
55 H PHE 7 HN PHE 7 8.594 13.613 -4.090
56 HA PHE 7 HA PHE 7 10.094 15.296 -2.667
57 HB2 PHE 7 HB2 PHE 7 7.926 15.261 -1.138
58 HB3 PHE 7 HB1 PHE 7 7.793 15.812 -2.822
59 HD1 PHE 7 HD1 PHE 7 6.448 13.762 -0.349
60 HD2 PHE 7 HD2 PHE 7 7.105 13.955 -4.503
61 HE1 PHE 7 HE1 PHE 7 4.584 12.304 -0.692
62 HE2 PHE 7 HE2 PHE 7 5.203 12.503 -4.861
63 HZ PHE 7 HZ PHE 7 3.940 11.684 -2.919
64 H PHE 8 HN PHE 8 8.127 13.633 -0.411
65 HA PHE 8 HA PHE 8 10.549 12.611 0.856
66 HB2 PHE 8 HB2 PHE 8 8.235 12.978 2.695
67 HB3 PHE 8 HB1 PHE 8 9.889 13.734 2.805
68 HD1 PHE 8 HD1 PHE 8 6.541 14.052 1.818
69 HD2 PHE 8 HD2 PHE 8 10.409 15.640 1.428
70 HE1 PHE 8 HE1 PHE 8 5.629 15.911 0.600
71 HE2 PHE 8 HE2 PHE 8 9.499 17.551 0.262
72 HZ PHE 8 HZ PHE 8 7.109 17.617 -0.192
73 H ARG 9 HN ARG 9 8.144 11.794 -1.078
74 HA ARG 9 HA ARG 9 6.715 9.760 0.119
75 HB2 ARG 9 HB2 ARG 9 6.338 8.812 -2.134
76 HB3 ARG 9 HB1 ARG 9 6.134 10.585 -2.131
77 HG2 ARG 9 HG2 ARG 9 8.465 10.851 -3.034
78 HG3 ARG 9 HG1 ARG 9 8.626 9.062 -3.087
79 HD2 ARG 9 HD2 ARG 9 6.432 10.645 -4.603
80 HD3 ARG 9 HD1 ARG 9 7.996 10.075 -5.338
81 HE ARG 9 HE ARG 9 6.784 7.810 -4.099
82 HH11 ARG 9 HH11 ARG 9 6.152 10.180 -6.681
83 HH12 ARG 9 HH12 ARG 9 5.220 9.097 -7.661
84 HH21 ARG 9 HH21 ARG 9 5.516 6.334 -5.430
85 HH22 ARG 9 HH22 ARG 9 4.852 6.872 -6.936
86 H ASN 10 HN ASN 10 10.125 9.844 -0.567
87 HA ASN 10 HA ASN 10 10.384 7.048 -0.934
88 HB2 ASN 10 HB2 ASN 10 12.374 9.195 0.016
89 HB3 ASN 10 HB1 ASN 10 12.824 7.462 -0.188
90 HD21 ASN 10 HD21 ASN 10 12.752 10.504 -1.730
91 H PHE 11 HN PHE 11 9.438 9.056 1.688
92 HA PHE 11 HA PHE 11 9.941 6.819 3.516
93 HB2 PHE 11 HB2 PHE 11 11.281 9.084 3.967
94 HB3 PHE 11 HB1 PHE 11 9.674 9.713 4.489
95 HD1 PHE 11 HD1 PHE 11 11.845 6.697 5.025
96 HD2 PHE 11 HD2 PHE 11 9.224 9.586 6.715
97 HE1 PHE 11 HE1 PHE 11 12.210 5.734 7.248
98 HE2 PHE 11 HE2 PHE 11 9.591 8.618 8.935
99 HZ PHE 11 HZ PHE 11 11.085 6.692 9.204
100 H ILE 12 HN ILE 12 7.942 9.914 3.184
101 HA ILE 12 HA ILE 12 5.541 8.497 3.056
102 HB ILE 12 HB ILE 12 4.612 9.722 5.142
103 HG12 ILE 12 HG12 ILE 12 6.924 9.228 6.800
104 HG13 ILE 12 HG11 ILE 12 7.463 10.277 5.442
105 HG21 ILE 12 HG21 ILE 12 4.545 7.686 6.247
106 HG22 ILE 12 HG22 ILE 12 6.289 7.331 5.952
107 HG23 ILE 12 HG23 ILE 12 5.088 7.129 4.620
108 HD11 ILE 12 HD11 ILE 12 6.181 12.055 6.098
109 HD12 ILE 12 HD12 ILE 12 6.307 11.254 7.713
110 HD13 ILE 12 HD13 ILE 12 4.831 11.020 6.699
111 H LEU 13 HN LEU 13 4.957 11.282 4.786
112 HA LEU 13 HA LEU 13 5.609 13.430 3.490
113 HB2 LEU 13 HB2 LEU 13 5.067 13.223 1.232
114 HB3 LEU 13 HB1 LEU 13 4.145 11.720 1.541
115 HG LEU 13 HG LEU 13 2.953 14.409 2.327
116 HD11 LEU 13 HD11 LEU 13 2.106 14.861 0.150
117 HD12 LEU 13 HD12 LEU 13 2.617 13.252 -0.487
118 HD13 LEU 13 HD13 LEU 13 3.863 14.504 -0.088
119 HD21 LEU 13 HD21 LEU 13 2.142 11.621 2.332
120 HD22 LEU 13 HD22 LEU 13 1.084 12.518 1.163
121 HD23 LEU 13 HD23 LEU 13 1.217 13.075 2.878
122 H GLN 14 HN GLN 14 3.208 11.250 4.646
123 HA GLN 14 HA GLN 14 1.122 11.552 5.443
124 HB2 GLN 14 HB2 GLN 14 3.150 11.810 7.311
125 HB3 GLN 14 HB1 GLN 14 2.143 13.249 7.661
126 HG2 GLN 14 HG2 GLN 14 0.119 11.841 7.921
127 HG3 GLN 14 HG1 GLN 14 1.072 10.364 7.488
128 HE21 GLN 14 HE21 GLN 14 -0.001 10.007 9.836
129 HE22 GLN 14 HE22 GLN 14 1.066 10.327 11.160
130 H ARG 15 HN ARG 15 2.169 14.739 6.760
131 HA ARG 15 HA ARG 15 0.069 15.868 5.072
132 HB2 ARG 15 HB2 ARG 15 0.482 16.132 8.074
133 HB3 ARG 15 HB1 ARG 15 -0.267 17.482 7.151
134 HG2 ARG 15 HG2 ARG 15 -2.060 16.131 8.057
135 HG3 ARG 15 HG1 ARG 15 -2.012 15.858 6.281
136 HD2 ARG 15 HD2 ARG 15 -1.070 13.647 6.516
137 HD3 ARG 15 HD1 ARG 15 -0.562 13.945 8.236
138 HE ARG 15 HE ARG 15 -3.274 13.218 7.280
139 HH11 ARG 15 HH11 ARG 15 -1.270 14.632 9.868
140 HH12 ARG 15 HH12 ARG 15 -2.408 14.313 11.133
141 HH21 ARG 15 HH21 ARG 15 -4.819 12.787 9.001
142 HH22 ARG 15 HH22 ARG 15 -4.459 13.247 10.632
143 H LYS 16 HN LYS 16 2.067 17.346 7.607
144 HA LYS 16 HA LYS 16 2.903 19.349 5.743
145 HB2 LYS 16 HB2 LYS 16 4.095 20.353 7.658
146 HB3 LYS 16 HB1 LYS 16 2.419 19.919 8.133
147 HG2 LYS 16 HG2 LYS 16 3.267 17.801 9.156
148 HG3 LYS 16 HG1 LYS 16 4.941 18.267 8.707
149 HD2 LYS 16 HD2 LYS 16 4.770 20.302 10.125
150 HD3 LYS 16 HD1 LYS 16 3.075 19.871 10.553
151 HE2 LYS 16 HE2 LYS 16 3.863 17.740 11.576
152 HE3 LYS 16 HE1 LYS 16 5.571 18.162 11.146
153 HZ1 LYS 16 HZ1 LYS 16 5.470 20.037 12.565
154 HZ2 LYS 16 HZ2 LYS 16 4.900 18.701 13.445
155 HZ3 LYS 16 HZ3 LYS 16 3.806 19.852 12.843
156 H LYS 17 HN LYS 17 3.915 16.231 6.386
157 HA LYS 17 HA LYS 17 6.708 16.663 6.510
158 HB2 LYS 17 HB2 LYS 17 4.902 14.270 6.127
159 HB3 LYS 17 HB1 LYS 17 6.543 14.134 5.419
160 HG2 LYS 17 HG2 LYS 17 7.237 13.466 7.458
161 HG3 LYS 17 HG1 LYS 17 7.080 15.189 7.959
162 HD2 LYS 17 HD2 LYS 17 5.190 12.840 8.459
163 HD3 LYS 17 HD1 LYS 17 5.869 14.025 9.622
164 HE2 LYS 17 HE2 LYS 17 4.402 15.824 8.484
165 HE3 LYS 17 HE1 LYS 17 3.596 14.472 7.571
166 HZ1 LYS 17 HZ1 LYS 17 3.086 13.456 9.724
167 HZ2 LYS 17 HZ2 LYS 17 2.403 15.009 9.557
168 HZ3 LYS 17 HZ3 LYS 17 3.775 14.789 10.531
Start of MODEL 17
1 H1 GLU 1 HT1 GLU 1 5.410 16.246 -16.940
2 H2 GLU 1 HT2 GLU 1 5.360 15.620 -15.364
3 H3 GLU 1 HT3 GLU 1 6.639 16.633 -15.835
4 HA GLU 1 HA GLU 1 5.419 18.511 -15.753
5 HB2 GLU 1 HB2 GLU 1 2.929 18.588 -15.901
6 HB3 GLU 1 HB1 GLU 1 3.642 17.719 -17.305
7 HG2 GLU 1 HG2 GLU 1 3.141 15.506 -16.175
8 HG3 GLU 1 HG1 GLU 1 2.361 16.402 -14.813
9 H MET 2 HN MET 2 6.258 16.398 -13.672
10 HA MET 2 HA MET 2 4.650 17.567 -11.510
11 HB2 MET 2 HB2 MET 2 5.682 14.679 -11.708
12 HB3 MET 2 HB1 MET 2 5.066 15.427 -10.196
13 HG2 MET 2 HG2 MET 2 2.824 15.706 -11.181
14 HG3 MET 2 HG1 MET 2 3.409 15.153 -12.781
15 HE1 MET 2 HE1 MET 2 2.518 12.799 -8.930
16 HE2 MET 2 HE2 MET 2 2.628 14.570 -9.216
17 HE3 MET 2 HE3 MET 2 4.127 13.595 -9.023
18 H ARG 3 HN ARG 3 5.732 17.997 -9.628
19 HA ARG 3 HA ARG 3 8.578 17.844 -9.996
20 HB2 ARG 3 HB2 ARG 3 8.848 19.670 -8.528
21 HB3 ARG 3 HB1 ARG 3 7.605 20.109 -9.759
22 HG2 ARG 3 HG2 ARG 3 5.813 19.470 -8.113
23 HG3 ARG 3 HG1 ARG 3 7.091 19.176 -6.881
24 HD2 ARG 3 HD2 ARG 3 7.846 21.558 -7.089
25 HD3 ARG 3 HD1 ARG 3 6.529 21.855 -8.306
26 HE ARG 3 HE ARG 3 5.364 20.708 -5.928
27 HH11 ARG 3 HH11 ARG 3 6.967 23.652 -7.132
28 HH12 ARG 3 HH12 ARG 3 6.152 24.726 -6.046
29 HH21 ARG 3 HH21 ARG 3 4.253 22.169 -4.452
30 HH22 ARG 3 HH22 ARG 3 4.583 23.868 -4.496
31 H LEU 4 HN LEU 4 5.888 16.781 -8.165
32 HA LEU 4 HA LEU 4 7.700 15.904 -6.097
33 HB2 LEU 4 HB2 LEU 4 5.087 14.733 -5.767
34 HB3 LEU 4 HB1 LEU 4 5.928 15.902 -4.692
35 HG LEU 4 HG LEU 4 5.054 17.780 -6.129
36 HD11 LEU 4 HD11 LEU 4 2.797 16.460 -7.373
37 HD12 LEU 4 HD12 LEU 4 4.287 15.571 -7.879
38 HD13 LEU 4 HD13 LEU 4 4.153 17.351 -8.170
39 HD21 LEU 4 HD21 LEU 4 3.889 17.410 -4.091
40 HD22 LEU 4 HD22 LEU 4 3.180 15.846 -4.662
41 HD23 LEU 4 HD23 LEU 4 2.577 17.414 -5.335
42 H SER 5 HN SER 5 8.690 14.859 -8.052
43 HA SER 5 HA SER 5 7.362 12.400 -8.750
44 HB2 SER 5 HB2 SER 5 9.720 11.858 -9.841
45 HB3 SER 5 HB1 SER 5 8.735 13.173 -10.596
46 HG SER 5 HG SER 5 10.517 14.217 -10.289
47 H ORN 6 HN ORN 6 10.738 13.016 -7.516
48 HA ORN 6 HA ORN 6 10.150 11.010 -5.438
49 HB2 ORN 6 HB1 ORN 6 12.870 11.725 -6.711
50 HB3 ORN 6 HB2 ORN 6 12.004 10.165 -6.920
51 HG2 ORN 6 HG1 ORN 6 12.941 11.229 -4.173
52 HG3 ORN 6 HG2 ORN 6 13.951 10.182 -5.222
53 HD2 ORN 6 HD2 ORN 6 11.196 9.084 -4.788
54 HD3 ORN 6 HD1 ORN 6 12.809 8.279 -4.634
55 H PHE 7 HN PHE 7 9.106 12.937 -4.493
56 HA PHE 7 HA PHE 7 10.801 15.094 -3.801
57 HB2 PHE 7 HB2 PHE 7 8.599 15.649 -2.416
58 HB3 PHE 7 HB1 PHE 7 8.561 15.789 -4.187
59 HD1 PHE 7 HD1 PHE 7 6.882 14.632 -1.413
60 HD2 PHE 7 HD2 PHE 7 7.846 13.561 -5.352
61 HE1 PHE 7 HE1 PHE 7 4.902 13.293 -1.501
62 HE2 PHE 7 HE2 PHE 7 5.844 12.214 -5.472
63 HZ PHE 7 HZ PHE 7 4.359 12.096 -3.507
64 H PHE 8 HN PHE 8 8.619 14.270 -1.311
65 HA PHE 8 HA PHE 8 10.868 13.276 0.273
66 HB2 PHE 8 HB2 PHE 8 8.565 14.237 1.868
67 HB3 PHE 8 HB1 PHE 8 10.262 14.893 1.863
68 HD1 PHE 8 HD1 PHE 8 6.946 15.278 0.820
69 HD2 PHE 8 HD2 PHE 8 10.939 16.327 0.017
70 HE1 PHE 8 HE1 PHE 8 6.180 16.863 -0.817
71 HE2 PHE 8 HE2 PHE 8 10.182 17.960 -1.590
72 HZ PHE 8 HZ PHE 8 7.793 18.136 -2.046
73 H ARG 9 HN ARG 9 8.495 12.374 -1.621
74 HA ARG 9 HA ARG 9 6.676 10.799 -0.311
75 HB2 ARG 9 HB2 ARG 9 7.012 11.316 -2.892
76 HB3 ARG 9 HB1 ARG 9 7.994 9.824 -2.870
77 HG2 ARG 9 HG2 ARG 9 6.097 8.488 -2.098
78 HG3 ARG 9 HG1 ARG 9 5.090 9.957 -1.863
79 HD2 ARG 9 HD2 ARG 9 4.431 8.833 -3.987
80 HD3 ARG 9 HD1 ARG 9 5.246 10.404 -4.391
81 HE ARG 9 HE ARG 9 7.076 9.186 -5.290
82 HH11 ARG 9 HH11 ARG 9 4.861 7.049 -3.485
83 HH12 ARG 9 HH12 ARG 9 5.598 5.578 -4.026
84 HH21 ARG 9 HH21 ARG 9 8.072 7.186 -6.019
85 HH22 ARG 9 HH22 ARG 9 7.453 5.658 -5.489
86 H ASN 10 HN ASN 10 10.118 10.196 -0.933
87 HA ASN 10 HA ASN 10 9.934 7.418 -0.569
88 HB2 ASN 10 HB2 ASN 10 12.270 9.394 -0.311
89 HB3 ASN 10 HB1 ASN 10 12.468 7.616 -0.073
90 HD21 ASN 10 HD21 ASN 10 12.260 10.207 -2.444
91 H PHE 11 HN PHE 11 9.471 10.055 1.595
92 HA PHE 11 HA PHE 11 9.893 8.204 3.842
93 HB2 PHE 11 HB2 PHE 11 9.958 11.289 3.840
94 HB3 PHE 11 HB1 PHE 11 10.026 10.259 5.321
95 HD1 PHE 11 HD1 PHE 11 11.864 11.609 2.486
96 HD2 PHE 11 HD2 PHE 11 12.002 8.883 5.748
97 HE1 PHE 11 HE1 PHE 11 14.308 11.517 2.312
98 HE2 PHE 11 HE2 PHE 11 14.444 8.796 5.569
99 HZ PHE 11 HZ PHE 11 15.600 10.113 3.851
100 H ILE 12 HN ILE 12 7.990 11.166 2.811
101 HA ILE 12 HA ILE 12 5.540 9.920 2.923
102 HB ILE 12 HB ILE 12 4.730 11.652 4.796
103 HG12 ILE 12 HG12 ILE 12 6.511 10.961 6.782
104 HG13 ILE 12 HG11 ILE 12 7.646 11.208 5.415
105 HG21 ILE 12 HG21 ILE 12 5.194 8.771 4.613
106 HG22 ILE 12 HG22 ILE 12 3.843 9.682 5.385
107 HG23 ILE 12 HG23 ILE 12 5.347 9.334 6.320
108 HD11 ILE 12 HD11 ILE 12 5.473 13.292 5.943
109 HD12 ILE 12 HD12 ILE 12 7.094 13.491 5.177
110 HD13 ILE 12 HD13 ILE 12 6.962 13.268 6.963
111 H LEU 13 HN LEU 13 5.242 13.049 4.189
112 HA LEU 13 HA LEU 13 6.089 14.822 2.511
113 HB2 LEU 13 HB2 LEU 13 5.453 14.339 0.324
114 HB3 LEU 13 HB1 LEU 13 4.464 12.954 0.883
115 HG LEU 13 HG LEU 13 3.379 15.767 1.254
116 HD11 LEU 13 HD11 LEU 13 2.952 14.294 -1.382
117 HD12 LEU 13 HD12 LEU 13 4.354 15.418 -1.159
118 HD13 LEU 13 HD13 LEU 13 2.659 16.026 -0.969
119 HD21 LEU 13 HD21 LEU 13 1.532 13.689 0.282
120 HD22 LEU 13 HD22 LEU 13 1.503 14.625 1.828
121 HD23 LEU 13 HD23 LEU 13 2.459 13.091 1.718
122 H GLN 14 HN GLN 14 3.489 13.185 4.131
123 HA GLN 14 HA GLN 14 1.733 15.367 4.261
124 HB2 GLN 14 HB2 GLN 14 2.087 12.827 5.900
125 HB3 GLN 14 HB1 GLN 14 0.925 14.093 6.423
126 HG2 GLN 14 HG2 GLN 14 -0.484 12.748 5.127
127 HG3 GLN 14 HG1 GLN 14 0.075 13.934 3.880
128 HE21 GLN 14 HE21 GLN 14 -0.801 11.587 2.864
129 HE22 GLN 14 HE22 GLN 14 0.503 10.567 2.360
130 H ARG 15 HN ARG 15 1.302 16.822 5.929
131 HA ARG 15 HA ARG 15 3.715 17.581 7.314
132 HB2 ARG 15 HB2 ARG 15 0.974 18.927 6.997
133 HB3 ARG 15 HB1 ARG 15 2.332 19.635 7.936
134 HG2 ARG 15 HG2 ARG 15 2.283 20.678 5.731
135 HG3 ARG 15 HG1 ARG 15 3.750 19.657 5.859
136 HD2 ARG 15 HD2 ARG 15 2.503 19.516 3.593
137 HD3 ARG 15 HD1 ARG 15 2.758 17.914 4.405
138 HE ARG 15 HE ARG 15 0.413 17.746 4.711
139 HH11 ARG 15 HH11 ARG 15 1.348 21.063 3.785
140 HH12 ARG 15 HH12 ARG 15 -0.272 21.607 3.509
141 HH21 ARG 15 HH21 ARG 15 -1.789 18.491 4.329
142 HH22 ARG 15 HH22 ARG 15 -2.085 20.120 3.824
143 H LYS 16 HN LYS 16 1.214 15.473 7.884
144 HA LYS 16 HA LYS 16 1.017 16.216 10.702
145 HB2 LYS 16 HB2 LYS 16 -0.487 13.816 10.238
146 HB3 LYS 16 HB1 LYS 16 -1.138 15.454 10.591
147 HG2 LYS 16 HG2 LYS 16 -1.244 15.984 8.184
148 HG3 LYS 16 HG1 LYS 16 -0.443 14.426 7.774
149 HD2 LYS 16 HD2 LYS 16 -2.947 14.274 9.459
150 HD3 LYS 16 HD1 LYS 16 -3.144 14.766 7.741
151 HE2 LYS 16 HE2 LYS 16 -1.909 12.689 7.011
152 HE3 LYS 16 HE1 LYS 16 -1.751 12.187 8.747
153 HZ1 LYS 16 HZ1 LYS 16 -4.100 12.065 8.918
154 HZ2 LYS 16 HZ2 LYS 16 -3.630 11.191 7.541
155 HZ3 LYS 16 HZ3 LYS 16 -4.335 12.725 7.372
156 H LYS 17 HN LYS 17 2.719 14.277 8.487
157 HA LYS 17 HA LYS 17 3.151 12.149 10.392
158 HB2 LYS 17 HB2 LYS 17 3.815 12.680 7.477
159 HB3 LYS 17 HB1 LYS 17 4.910 11.584 8.397
160 HG2 LYS 17 HG2 LYS 17 3.136 10.327 7.203
161 HG3 LYS 17 HG1 LYS 17 3.027 10.110 8.979
162 HD2 LYS 17 HD2 LYS 17 0.959 11.071 9.096
163 HD3 LYS 17 HD1 LYS 17 1.394 12.386 7.956
164 HE2 LYS 17 HE2 LYS 17 -0.406 10.997 6.983
165 HE3 LYS 17 HE1 LYS 17 1.114 10.760 6.020
166 HZ1 LYS 17 HZ1 LYS 17 1.272 8.874 7.962
167 HZ2 LYS 17 HZ2 LYS 17 0.733 8.633 6.369
168 HZ3 LYS 17 HZ3 LYS 17 -0.390 8.901 7.616
Start of MODEL 18
1 H1 GLU 1 HT1 GLU 1 3.852 14.180 -16.428
2 H2 GLU 1 HT2 GLU 1 3.111 14.077 -14.903
3 H3 GLU 1 HT3 GLU 1 4.712 13.547 -15.107
4 HA GLU 1 HA GLU 1 5.539 15.665 -15.345
5 HB2 GLU 1 HB2 GLU 1 3.726 16.430 -16.932
6 HB3 GLU 1 HB1 GLU 1 2.620 16.617 -15.525
7 HG2 GLU 1 HG2 GLU 1 4.105 18.385 -14.555
8 HG3 GLU 1 HG1 GLU 1 5.263 18.181 -15.929
9 H MET 2 HN MET 2 6.385 15.693 -13.265
10 HA MET 2 HA MET 2 4.490 16.542 -11.203
11 HB2 MET 2 HB2 MET 2 6.637 14.373 -10.942
12 HB3 MET 2 HB1 MET 2 5.877 15.192 -9.535
13 HG2 MET 2 HG2 MET 2 3.631 14.371 -10.261
14 HG3 MET 2 HG1 MET 2 4.380 13.556 -11.672
15 HE1 MET 2 HE1 MET 2 3.093 10.758 -9.209
16 HE2 MET 2 HE2 MET 2 2.968 11.490 -10.846
17 HE3 MET 2 HE3 MET 2 2.436 12.422 -9.404
18 H ARG 3 HN ARG 3 5.518 17.600 -9.386
19 HA ARG 3 HA ARG 3 7.941 18.886 -10.280
20 HB2 ARG 3 HB2 ARG 3 6.021 20.439 -9.991
21 HB3 ARG 3 HB1 ARG 3 5.811 19.794 -8.326
22 HG2 ARG 3 HG2 ARG 3 7.865 20.770 -7.557
23 HG3 ARG 3 HG1 ARG 3 8.432 21.109 -9.230
24 HD2 ARG 3 HD2 ARG 3 7.665 23.218 -8.156
25 HD3 ARG 3 HD1 ARG 3 6.509 22.771 -9.487
26 HE ARG 3 HE ARG 3 5.617 21.623 -6.980
27 HH11 ARG 3 HH11 ARG 3 5.981 24.703 -8.737
28 HH12 ARG 3 HH12 ARG 3 4.638 25.479 -7.967
29 HH21 ARG 3 HH21 ARG 3 3.792 22.680 -5.930
30 HH22 ARG 3 HH22 ARG 3 3.373 24.309 -6.342
31 H LEU 4 HN LEU 4 6.202 17.830 -7.437
32 HA LEU 4 HA LEU 4 8.345 17.855 -5.706
33 HB2 LEU 4 HB2 LEU 4 6.439 15.601 -5.364
34 HB3 LEU 4 HB1 LEU 4 6.822 16.942 -4.215
35 HG LEU 4 HG LEU 4 5.394 18.388 -5.975
36 HD11 LEU 4 HD11 LEU 4 4.534 15.488 -6.519
37 HD12 LEU 4 HD12 LEU 4 4.854 16.816 -7.700
38 HD13 LEU 4 HD13 LEU 4 3.363 16.850 -6.684
39 HD21 LEU 4 HD21 LEU 4 3.922 16.510 -4.034
40 HD22 LEU 4 HD22 LEU 4 3.487 18.196 -4.514
41 HD23 LEU 4 HD23 LEU 4 4.941 17.896 -3.488
42 H SER 5 HN SER 5 7.082 15.558 -8.075
43 HA SER 5 HA SER 5 7.863 13.688 -8.921
44 HB2 SER 5 HB2 SER 5 10.582 14.905 -8.171
45 HB3 SER 5 HB1 SER 5 10.417 13.373 -9.120
46 HG SER 5 HG SER 5 9.668 16.008 -9.778
47 H ORN 6 HN ORN 6 10.762 13.394 -6.879
48 HA ORN 6 HA ORN 6 9.274 11.343 -5.385
49 HB2 ORN 6 HB1 ORN 6 12.292 11.273 -5.398
50 HB3 ORN 6 HB2 ORN 6 11.478 10.801 -6.931
51 HG2 ORN 6 HG1 ORN 6 10.905 8.776 -6.082
52 HG3 ORN 6 HG2 ORN 6 10.119 9.532 -4.656
53 HD2 ORN 6 HD2 ORN 6 12.643 8.059 -4.793
54 HD3 ORN 6 HD1 ORN 6 12.983 9.748 -4.241
55 H PHE 7 HN PHE 7 9.606 14.315 -5.037
56 HA PHE 7 HA PHE 7 10.949 15.587 -3.511
57 HB2 PHE 7 HB2 PHE 7 8.809 15.941 -1.920
58 HB3 PHE 7 HB1 PHE 7 8.807 16.492 -3.604
59 HD1 PHE 7 HD1 PHE 7 6.631 16.048 -1.684
60 HD2 PHE 7 HD2 PHE 7 8.102 13.533 -4.734
61 HE1 PHE 7 HE1 PHE 7 4.480 15.060 -1.946
62 HE2 PHE 7 HE2 PHE 7 5.950 12.535 -4.960
63 HZ PHE 7 HZ PHE 7 4.124 13.296 -3.529
64 H PHE 8 HN PHE 8 8.796 14.295 -1.116
65 HA PHE 8 HA PHE 8 11.154 13.109 0.164
66 HB2 PHE 8 HB2 PHE 8 9.037 13.931 2.078
67 HB3 PHE 8 HB1 PHE 8 10.777 14.466 2.032
68 HD1 PHE 8 HD1 PHE 8 7.417 15.206 1.241
69 HD2 PHE 8 HD2 PHE 8 11.457 16.114 0.436
70 HE1 PHE 8 HE1 PHE 8 6.730 17.112 -0.053
71 HE2 PHE 8 HE2 PHE 8 10.768 18.047 -0.825
72 HZ PHE 8 HZ PHE 8 8.397 18.469 -1.116
73 H ARG 9 HN ARG 9 8.344 12.612 -1.428
74 HA ARG 9 HA ARG 9 6.781 10.942 0.055
75 HB2 ARG 9 HB2 ARG 9 6.184 11.865 -2.188
76 HB3 ARG 9 HB1 ARG 9 7.389 10.770 -2.943
77 HG2 ARG 9 HG2 ARG 9 6.110 8.798 -2.292
78 HG3 ARG 9 HG1 ARG 9 5.000 9.785 -1.280
79 HD2 ARG 9 HD2 ARG 9 4.125 10.941 -3.324
80 HD3 ARG 9 HD1 ARG 9 5.274 9.992 -4.365
81 HE ARG 9 HE ARG 9 2.825 8.955 -3.019
82 HH11 ARG 9 HH11 ARG 9 5.888 8.317 -4.725
83 HH12 ARG 9 HH12 ARG 9 5.474 6.702 -5.190
84 HH21 ARG 9 HH21 ARG 9 2.263 6.751 -3.648
85 HH22 ARG 9 HH22 ARG 9 3.377 5.798 -4.568
86 H ASN 10 HN ASN 10 10.063 10.349 -0.857
87 HA ASN 10 HA ASN 10 9.960 7.599 -1.298
88 HB2 ASN 10 HB2 ASN 10 12.062 9.292 0.193
89 HB3 ASN 10 HB1 ASN 10 12.279 7.545 -0.158
90 HD21 ASN 10 HD21 ASN 10 10.697 8.327 -2.903
91 H PHE 11 HN PHE 11 9.762 9.669 1.638
92 HA PHE 11 HA PHE 11 9.322 7.211 3.184
93 HB2 PHE 11 HB2 PHE 11 11.221 8.854 3.944
94 HB3 PHE 11 HB1 PHE 11 9.885 9.988 4.371
95 HD1 PHE 11 HD1 PHE 11 11.134 6.523 4.987
96 HD2 PHE 11 HD2 PHE 11 8.864 9.815 6.431
97 HE1 PHE 11 HE1 PHE 11 10.904 5.416 7.162
98 HE2 PHE 11 HE2 PHE 11 8.636 8.703 8.602
99 HZ PHE 11 HZ PHE 11 9.656 6.503 8.970
100 H ILE 12 HN ILE 12 8.233 10.763 3.120
101 HA ILE 12 HA ILE 12 5.552 9.937 3.021
102 HB ILE 12 HB ILE 12 4.893 11.310 4.996
103 HG12 ILE 12 HG12 ILE 12 6.943 11.236 6.802
104 HG13 ILE 12 HG11 ILE 12 7.888 11.497 5.290
105 HG21 ILE 12 HG21 ILE 12 5.244 9.514 6.660
106 HG22 ILE 12 HG22 ILE 12 6.591 8.832 5.678
107 HG23 ILE 12 HG23 ILE 12 4.904 8.802 5.038
108 HD11 ILE 12 HD11 ILE 12 6.760 13.546 6.770
109 HD12 ILE 12 HD12 ILE 12 5.431 13.237 5.585
110 HD13 ILE 12 HD13 ILE 12 7.087 13.652 5.000
111 H LEU 13 HN LEU 13 4.555 12.463 3.682
112 HA LEU 13 HA LEU 13 6.240 14.417 2.633
113 HB2 LEU 13 HB2 LEU 13 5.907 14.331 0.378
114 HB3 LEU 13 HB1 LEU 13 5.200 12.709 0.666
115 HG LEU 13 HG LEU 13 3.703 13.886 -0.730
116 HD11 LEU 13 HD11 LEU 13 2.000 14.485 1.607
117 HD12 LEU 13 HD12 LEU 13 2.818 12.875 1.710
118 HD13 LEU 13 HD13 LEU 13 1.800 13.284 0.277
119 HD21 LEU 13 HD21 LEU 13 3.186 16.133 -0.718
120 HD22 LEU 13 HD22 LEU 13 4.763 16.215 0.162
121 HD23 LEU 13 HD23 LEU 13 3.201 16.261 1.081
122 H GLN 14 HN GLN 14 3.255 13.190 3.914
123 HA GLN 14 HA GLN 14 1.915 15.687 3.726
124 HB2 GLN 14 HB2 GLN 14 1.346 13.174 5.371
125 HB3 GLN 14 HB1 GLN 14 0.326 14.657 5.470
126 HG2 GLN 14 HG2 GLN 14 -0.070 14.540 2.993
127 HG3 GLN 14 HG1 GLN 14 0.895 13.008 2.933
128 HE21 GLN 14 HE21 GLN 14 -2.251 14.206 3.131
129 HE22 GLN 14 HE22 GLN 14 -3.030 12.852 3.874
130 H ARG 15 HN ARG 15 1.232 16.985 5.557
131 HA ARG 15 HA ARG 15 3.532 17.524 7.169
132 HB2 ARG 15 HB2 ARG 15 0.814 18.849 6.757
133 HB3 ARG 15 HB1 ARG 15 1.871 19.348 8.121
134 HG2 ARG 15 HG2 ARG 15 2.170 20.831 6.155
135 HG3 ARG 15 HG1 ARG 15 3.684 19.962 6.565
136 HD2 ARG 15 HD2 ARG 15 3.222 20.076 4.052
137 HD3 ARG 15 HD1 ARG 15 3.338 18.372 4.666
138 HE ARG 15 HE ARG 15 1.030 18.082 4.183
139 HH11 ARG 15 HH11 ARG 15 1.951 21.528 4.055
140 HH12 ARG 15 HH12 ARG 15 0.464 22.056 3.341
141 HH21 ARG 15 HH21 ARG 15 -0.989 18.809 3.212
142 HH22 ARG 15 HH22 ARG 15 -1.234 20.485 2.857
143 H LYS 16 HN LYS 16 1.086 15.276 7.415
144 HA LYS 16 HA LYS 16 0.604 15.680 10.243
145 HB2 LYS 16 HB2 LYS 16 -0.055 13.231 8.509
146 HB3 LYS 16 HB1 LYS 16 -0.712 13.591 10.141
147 HG2 LYS 16 HG2 LYS 16 -1.823 15.660 9.164
148 HG3 LYS 16 HG1 LYS 16 -1.270 15.120 7.538
149 HD2 LYS 16 HD2 LYS 16 -3.051 13.471 9.438
150 HD3 LYS 16 HD1 LYS 16 -3.648 14.456 8.056
151 HE2 LYS 16 HE2 LYS 16 -2.270 13.043 6.474
152 HE3 LYS 16 HE1 LYS 16 -1.729 12.028 7.878
153 HZ1 LYS 16 HZ1 LYS 16 -3.928 11.340 8.248
154 HZ2 LYS 16 HZ2 LYS 16 -3.652 11.184 6.580
155 HZ3 LYS 16 HZ3 LYS 16 -4.581 12.478 7.171
156 H LYS 17 HN LYS 17 3.003 14.490 8.198
157 HA LYS 17 HA LYS 17 3.864 12.548 10.222
158 HB2 LYS 17 HB2 LYS 17 4.037 12.636 7.183
159 HB3 LYS 17 HB1 LYS 17 5.364 11.832 8.102
160 HG2 LYS 17 HG2 LYS 17 4.099 10.017 8.581
161 HG3 LYS 17 HG1 LYS 17 2.680 11.016 9.068
162 HD2 LYS 17 HD2 LYS 17 3.301 10.904 6.114
163 HD3 LYS 17 HD1 LYS 17 2.721 9.380 6.864
164 HE2 LYS 17 HE2 LYS 17 1.233 12.038 7.329
165 HE3 LYS 17 HE1 LYS 17 0.935 11.021 5.857
166 HZ1 LYS 17 HZ1 LYS 17 0.948 9.368 8.124
167 HZ2 LYS 17 HZ2 LYS 17 -0.330 9.736 7.067
168 HZ3 LYS 17 HZ3 LYS 17 -0.060 10.696 8.442
Start of MODEL 19
1 H1 GLU 1 HT1 GLU 1 4.867 17.946 -14.479
2 H2 GLU 1 HT2 GLU 1 4.069 17.826 -15.974
3 H3 GLU 1 HT3 GLU 1 5.349 16.771 -15.608
4 HA GLU 1 HA GLU 1 2.582 16.611 -14.946
5 HB2 GLU 1 HB2 GLU 1 4.976 14.691 -14.922
6 HB3 GLU 1 HB1 GLU 1 3.311 14.166 -14.484
7 HG2 GLU 1 HG2 GLU 1 2.470 14.728 -16.741
8 HG3 GLU 1 HG1 GLU 1 4.067 15.441 -17.201
9 H MET 2 HN MET 2 5.697 16.290 -13.105
10 HA MET 2 HA MET 2 4.086 16.684 -10.695
11 HB2 MET 2 HB2 MET 2 6.361 14.662 -11.057
12 HB3 MET 2 HB1 MET 2 5.746 15.204 -9.457
13 HG2 MET 2 HG2 MET 2 3.431 14.386 -10.155
14 HG3 MET 2 HG1 MET 2 4.178 13.691 -11.628
15 HE1 MET 2 HE1 MET 2 7.005 12.365 -10.690
16 HE2 MET 2 HE2 MET 2 5.693 12.052 -11.878
17 HE3 MET 2 HE3 MET 2 6.191 10.762 -10.730
18 H ARG 3 HN ARG 3 5.275 17.603 -8.927
19 HA ARG 3 HA ARG 3 7.563 19.056 -9.925
20 HB2 ARG 3 HB2 ARG 3 5.668 20.554 -9.385
21 HB3 ARG 3 HB1 ARG 3 5.555 19.768 -7.772
22 HG2 ARG 3 HG2 ARG 3 7.692 20.670 -7.071
23 HG3 ARG 3 HG1 ARG 3 8.075 21.241 -8.735
24 HD2 ARG 3 HD2 ARG 3 6.233 22.915 -8.624
25 HD3 ARG 3 HD1 ARG 3 5.748 22.297 -6.986
26 HE ARG 3 HE ARG 3 7.618 23.414 -6.050
27 HH11 ARG 3 HH11 ARG 3 7.829 23.314 -9.609
28 HH12 ARG 3 HH12 ARG 3 9.168 24.407 -9.711
29 HH21 ARG 3 HH21 ARG 3 9.435 24.900 -6.195
30 HH22 ARG 3 HH22 ARG 3 10.096 25.322 -7.739
31 H LEU 4 HN LEU 4 6.069 17.731 -7.048
32 HA LEU 4 HA LEU 4 8.445 17.708 -5.570
33 HB2 LEU 4 HB2 LEU 4 6.293 15.639 -5.112
34 HB3 LEU 4 HB1 LEU 4 7.161 16.643 -3.888
35 HG LEU 4 HG LEU 4 5.801 18.643 -4.954
36 HD11 LEU 4 HD11 LEU 4 4.346 18.122 -6.633
37 HD12 LEU 4 HD12 LEU 4 3.401 17.136 -5.451
38 HD13 LEU 4 HD13 LEU 4 4.688 16.355 -6.445
39 HD21 LEU 4 HD21 LEU 4 3.863 18.114 -3.377
40 HD22 LEU 4 HD22 LEU 4 5.502 17.933 -2.639
41 HD23 LEU 4 HD23 LEU 4 4.572 16.468 -3.145
42 H SER 5 HN SER 5 6.774 15.589 -7.843
43 HA SER 5 HA SER 5 7.331 13.670 -8.780
44 HB2 SER 5 HB2 SER 5 9.432 14.998 -9.458
45 HB3 SER 5 HB1 SER 5 10.266 14.243 -8.046
46 HG SER 5 HG SER 5 10.368 13.229 -10.239
47 H ORN 6 HN ORN 6 10.240 12.769 -7.111
48 HA ORN 6 HA ORN 6 8.620 10.976 -5.447
49 HB2 ORN 6 HB1 ORN 6 11.644 10.778 -5.923
50 HB3 ORN 6 HB2 ORN 6 10.475 10.061 -7.084
51 HG2 ORN 6 HG1 ORN 6 10.058 8.272 -5.735
52 HG3 ORN 6 HG2 ORN 6 9.877 9.296 -4.271
53 HD2 ORN 6 HD2 ORN 6 12.126 7.593 -5.046
54 HD3 ORN 6 HD1 ORN 6 12.702 9.304 -4.983
55 H PHE 7 HN PHE 7 9.498 13.967 -5.149
56 HA PHE 7 HA PHE 7 11.068 15.056 -3.795
57 HB2 PHE 7 HB2 PHE 7 9.359 15.579 -1.848
58 HB3 PHE 7 HB1 PHE 7 8.959 16.042 -3.512
59 HD1 PHE 7 HD1 PHE 7 7.750 14.699 -0.616
60 HD2 PHE 7 HD2 PHE 7 7.651 14.093 -4.782
61 HE1 PHE 7 HE1 PHE 7 5.604 13.647 -0.396
62 HE2 PHE 7 HE2 PHE 7 5.490 13.037 -4.573
63 HZ PHE 7 HZ PHE 7 4.465 12.827 -2.347
64 H PHE 8 HN PHE 8 9.357 13.959 -1.079
65 HA PHE 8 HA PHE 8 11.716 12.478 -0.211
66 HB2 PHE 8 HB2 PHE 8 10.152 13.647 2.027
67 HB3 PHE 8 HB1 PHE 8 11.909 13.916 1.638
68 HD1 PHE 8 HD1 PHE 8 8.575 15.052 1.355
69 HD2 PHE 8 HD2 PHE 8 12.528 15.499 -0.019
70 HE1 PHE 8 HE1 PHE 8 7.908 17.001 0.115
71 HE2 PHE 8 HE2 PHE 8 11.882 17.489 -1.219
72 HZ PHE 8 HZ PHE 8 9.549 18.175 -1.186
73 H ARG 9 HN ARG 9 8.963 12.180 -1.525
74 HA ARG 9 HA ARG 9 7.101 10.951 0.046
75 HB2 ARG 9 HB2 ARG 9 7.011 11.543 -2.489
76 HB3 ARG 9 HB1 ARG 9 7.821 9.972 -2.758
77 HG2 ARG 9 HG2 ARG 9 5.957 8.740 -1.803
78 HG3 ARG 9 HG1 ARG 9 5.180 10.249 -1.211
79 HD2 ARG 9 HD2 ARG 9 4.809 11.011 -3.583
80 HD3 ARG 9 HD1 ARG 9 5.601 9.486 -4.188
81 HE ARG 9 HE ARG 9 3.554 8.659 -2.406
82 HH11 ARG 9 HH11 ARG 9 3.902 10.521 -5.422
83 HH12 ARG 9 HH12 ARG 9 2.342 10.096 -6.046
84 HH21 ARG 9 HH21 ARG 9 1.433 8.081 -3.253
85 HH22 ARG 9 HH22 ARG 9 0.915 8.685 -4.790
86 H ASN 10 HN ASN 10 10.203 9.660 -1.139
87 HA ASN 10 HA ASN 10 9.549 6.964 -0.824
88 HB2 ASN 10 HB2 ASN 10 12.228 8.450 -0.613
89 HB3 ASN 10 HB1 ASN 10 12.093 6.656 -0.498
90 HD21 ASN 10 HD21 ASN 10 12.071 9.463 -2.650
91 H PHE 11 HN PHE 11 10.107 9.555 1.500
92 HA PHE 11 HA PHE 11 10.241 7.512 3.611
93 HB2 PHE 11 HB2 PHE 11 10.914 10.522 3.733
94 HB3 PHE 11 HB1 PHE 11 10.962 9.391 5.139
95 HD1 PHE 11 HD1 PHE 11 12.656 10.565 2.137
96 HD2 PHE 11 HD2 PHE 11 12.682 7.659 5.241
97 HE1 PHE 11 HE1 PHE 11 14.995 10.035 1.626
98 HE2 PHE 11 HE2 PHE 11 15.020 7.134 4.726
99 HZ PHE 11 HZ PHE 11 16.178 8.320 2.918
100 H ILE 12 HN ILE 12 8.938 10.898 3.065
101 HA ILE 12 HA ILE 12 6.295 10.142 3.357
102 HB ILE 12 HB ILE 12 6.030 11.795 5.429
103 HG12 ILE 12 HG12 ILE 12 7.782 10.738 7.182
104 HG13 ILE 12 HG11 ILE 12 8.848 10.696 5.737
105 HG21 ILE 12 HG21 ILE 12 5.227 9.363 5.019
106 HG22 ILE 12 HG22 ILE 12 5.432 9.890 6.730
107 HG23 ILE 12 HG23 ILE 12 6.679 8.852 5.957
108 HD11 ILE 12 HD11 ILE 12 7.336 13.253 6.568
109 HD12 ILE 12 HD12 ILE 12 8.759 13.097 5.467
110 HD13 ILE 12 HD13 ILE 12 8.956 12.827 7.239
111 H LEU 13 HN LEU 13 6.894 13.110 4.872
112 HA LEU 13 HA LEU 13 7.852 14.799 3.158
113 HB2 LEU 13 HB2 LEU 13 6.726 14.715 1.158
114 HB3 LEU 13 HB1 LEU 13 5.558 13.535 1.821
115 HG LEU 13 HG LEU 13 5.177 16.436 2.586
116 HD11 LEU 13 HD11 LEU 13 5.787 16.198 0.013
117 HD12 LEU 13 HD12 LEU 13 4.341 17.163 0.515
118 HD13 LEU 13 HD13 LEU 13 4.132 15.486 -0.116
119 HD21 LEU 13 HD21 LEU 13 3.040 15.740 3.037
120 HD22 LEU 13 HD22 LEU 13 3.786 14.090 3.041
121 HD23 LEU 13 HD23 LEU 13 2.950 14.705 1.561
122 H GLN 14 HN GLN 14 5.521 13.644 5.379
123 HA GLN 14 HA GLN 14 4.872 14.519 7.313
124 HB2 GLN 14 HB2 GLN 14 5.743 17.352 6.589
125 HB3 GLN 14 HB1 GLN 14 5.527 16.632 8.222
126 HG2 GLN 14 HG2 GLN 14 7.545 15.141 7.734
127 HG3 GLN 14 HG1 GLN 14 7.793 16.099 6.218
128 HE21 GLN 14 HE21 GLN 14 8.975 17.958 6.358
129 HE22 GLN 14 HE22 GLN 14 9.347 18.806 7.820
130 H ARG 15 HN ARG 15 3.867 17.293 7.618
131 HA ARG 15 HA ARG 15 2.065 18.484 7.195
132 HB2 ARG 15 HB2 ARG 15 2.535 17.349 4.423
133 HB3 ARG 15 HB1 ARG 15 0.997 18.219 4.757
134 HG2 ARG 15 HG2 ARG 15 2.527 19.847 3.867
135 HG3 ARG 15 HG1 ARG 15 2.381 20.180 5.625
136 HD2 ARG 15 HD2 ARG 15 4.748 20.338 5.263
137 HD3 ARG 15 HD1 ARG 15 4.573 18.623 5.821
138 HE ARG 15 HE ARG 15 5.224 17.904 3.698
139 HH11 ARG 15 HH11 ARG 15 4.210 21.331 3.591
140 HH12 ARG 15 HH12 ARG 15 4.774 21.606 1.976
141 HH21 ARG 15 HH21 ARG 15 5.995 18.296 1.505
142 HH22 ARG 15 HH22 ARG 15 5.803 19.854 0.773
143 H LYS 16 HN LYS 16 1.111 15.781 5.076
144 HA LYS 16 HA LYS 16 -1.370 15.568 6.409
145 HB2 LYS 16 HB2 LYS 16 -1.439 13.267 5.101
146 HB3 LYS 16 HB1 LYS 16 -1.539 14.802 4.173
147 HG2 LYS 16 HG2 LYS 16 0.679 14.624 3.388
148 HG3 LYS 16 HG1 LYS 16 1.164 13.494 4.700
149 HD2 LYS 16 HD2 LYS 16 -0.267 11.714 3.710
150 HD3 LYS 16 HD1 LYS 16 -0.799 12.847 2.418
151 HE2 LYS 16 HE2 LYS 16 1.509 13.023 1.562
152 HE3 LYS 16 HE1 LYS 16 2.120 11.993 2.921
153 HZ1 LYS 16 HZ1 LYS 16 1.316 10.150 1.975
154 HZ2 LYS 16 HZ2 LYS 16 1.458 11.056 0.546
155 HZ3 LYS 16 HZ3 LYS 16 -0.052 10.904 1.308
156 H LYS 17 HN LYS 17 1.798 14.401 7.036
157 HA LYS 17 HA LYS 17 0.844 12.105 8.520
158 HB2 LYS 17 HB2 LYS 17 3.543 13.293 7.808
159 HB3 LYS 17 HB1 LYS 17 3.446 12.284 9.288
160 HG2 LYS 17 HG2 LYS 17 4.072 11.221 6.931
161 HG3 LYS 17 HG1 LYS 17 3.053 10.322 8.109
162 HD2 LYS 17 HD2 LYS 17 1.018 10.854 6.895
163 HD3 LYS 17 HD1 LYS 17 1.855 12.086 5.895
164 HE2 LYS 17 HE2 LYS 17 1.443 10.042 4.565
165 HE3 LYS 17 HE1 LYS 17 3.227 10.243 4.824
166 HZ1 LYS 17 HZ1 LYS 17 1.365 8.277 5.937
167 HZ2 LYS 17 HZ2 LYS 17 2.669 8.772 6.905
168 HZ3 LYS 17 HZ3 LYS 17 2.956 8.095 5.374
Start of MODEL 20
1 H1 GLU 1 HT1 GLU 1 4.650 17.022 -14.826
2 H2 GLU 1 HT2 GLU 1 4.310 18.242 -13.691
3 H3 GLU 1 HT3 GLU 1 3.453 18.182 -15.157
4 HA GLU 1 HA GLU 1 1.906 17.155 -13.996
5 HB2 GLU 1 HB2 GLU 1 2.913 15.352 -15.455
6 HB3 GLU 1 HB1 GLU 1 3.976 14.882 -14.082
7 HG2 GLU 1 HG2 GLU 1 1.973 14.261 -12.709
8 HG3 GLU 1 HG1 GLU 1 0.881 14.771 -14.056
9 H MET 2 HN MET 2 5.130 16.635 -12.454
10 HA MET 2 HA MET 2 3.727 16.836 -9.892
11 HB2 MET 2 HB2 MET 2 6.025 14.923 -10.567
12 HB3 MET 2 HB1 MET 2 5.501 15.324 -8.894
13 HG2 MET 2 HG2 MET 2 3.245 14.393 -9.347
14 HG3 MET 2 HG1 MET 2 3.709 14.039 -11.042
15 HE1 MET 2 HE1 MET 2 2.754 11.672 -10.666
16 HE2 MET 2 HE2 MET 2 2.385 12.096 -8.959
17 HE3 MET 2 HE3 MET 2 3.237 10.561 -9.339
18 H ARG 3 HN ARG 3 5.061 17.649 -8.166
19 HA ARG 3 HA ARG 3 7.267 19.183 -9.235
20 HB2 ARG 3 HB2 ARG 3 5.420 20.694 -8.593
21 HB3 ARG 3 HB1 ARG 3 5.295 19.834 -7.021
22 HG2 ARG 3 HG2 ARG 3 6.445 21.984 -6.703
23 HG3 ARG 3 HG1 ARG 3 7.580 20.627 -6.392
24 HD2 ARG 3 HD2 ARG 3 8.621 20.936 -8.646
25 HD3 ARG 3 HD1 ARG 3 7.433 22.264 -9.022
26 HE ARG 3 HE ARG 3 8.674 22.977 -6.572
27 HH11 ARG 3 HH11 ARG 3 9.586 22.283 -9.943
28 HH12 ARG 3 HH12 ARG 3 10.947 23.353 -9.959
29 HH21 ARG 3 HH21 ARG 3 10.528 24.433 -6.590
30 HH22 ARG 3 HH22 ARG 3 11.492 24.596 -8.019
31 H LEU 4 HN LEU 4 5.863 17.762 -6.355
32 HA LEU 4 HA LEU 4 8.287 17.695 -4.953
33 HB2 LEU 4 HB2 LEU 4 6.139 15.621 -4.491
34 HB3 LEU 4 HB1 LEU 4 7.063 16.570 -3.261
35 HG LEU 4 HG LEU 4 5.678 18.620 -4.171
36 HD11 LEU 4 HD11 LEU 4 4.499 16.426 -5.755
37 HD12 LEU 4 HD12 LEU 4 4.177 18.205 -5.840
38 HD13 LEU 4 HD13 LEU 4 3.251 17.171 -4.685
39 HD21 LEU 4 HD21 LEU 4 5.388 17.865 -1.902
40 HD22 LEU 4 HD22 LEU 4 4.563 16.344 -2.423
41 HD23 LEU 4 HD23 LEU 4 3.728 17.936 -2.608
42 H SER 5 HN SER 5 6.541 15.668 -7.245
43 HA SER 5 HA SER 5 7.045 13.776 -8.263
44 HB2 SER 5 HB2 SER 5 9.949 14.589 -7.644
45 HB3 SER 5 HB1 SER 5 9.504 13.190 -8.702
46 HG SER 5 HG SER 5 9.133 15.951 -9.077
47 H ORN 6 HN ORN 6 10.013 12.881 -6.642
48 HA ORN 6 HA ORN 6 8.424 11.013 -5.019
49 HB2 ORN 6 HB1 ORN 6 11.415 10.707 -5.567
50 HB3 ORN 6 HB2 ORN 6 10.227 10.167 -6.804
51 HG2 ORN 6 HG1 ORN 6 9.589 8.329 -5.587
52 HG3 ORN 6 HG2 ORN 6 9.622 9.213 -4.024
53 HD2 ORN 6 HD2 ORN 6 11.554 7.316 -5.024
54 HD3 ORN 6 HD1 ORN 6 12.374 8.928 -5.037
55 H PHE 7 HN PHE 7 9.332 13.944 -4.652
56 HA PHE 7 HA PHE 7 10.987 14.979 -3.347
57 HB2 PHE 7 HB2 PHE 7 9.348 15.449 -1.321
58 HB3 PHE 7 HB1 PHE 7 8.901 15.971 -2.957
59 HD1 PHE 7 HD1 PHE 7 7.787 14.503 -0.071
60 HD2 PHE 7 HD2 PHE 7 7.529 14.093 -4.257
61 HE1 PHE 7 HE1 PHE 7 5.652 13.444 0.169
62 HE2 PHE 7 HE2 PHE 7 5.368 13.036 -4.012
63 HZ PHE 7 HZ PHE 7 4.438 12.730 -1.757
64 H PHE 8 HN PHE 8 9.371 13.818 -0.591
65 HA PHE 8 HA PHE 8 11.743 12.297 0.146
66 HB2 PHE 8 HB2 PHE 8 10.402 13.448 2.515
67 HB3 PHE 8 HB1 PHE 8 12.103 13.767 1.944
68 HD1 PHE 8 HD1 PHE 8 8.718 14.758 1.942
69 HD2 PHE 8 HD2 PHE 8 12.534 15.450 0.338
70 HE1 PHE 8 HE1 PHE 8 7.865 16.705 0.815
71 HE2 PHE 8 HE2 PHE 8 11.711 17.441 -0.753
72 HZ PHE 8 HZ PHE 8 9.346 18.003 -0.549
73 H ARG 9 HN ARG 9 8.941 12.052 -1.024
74 HA ARG 9 HA ARG 9 7.132 10.870 0.654
75 HB2 ARG 9 HB2 ARG 9 6.892 11.481 -1.859
76 HB3 ARG 9 HB1 ARG 9 7.705 9.931 -2.204
77 HG2 ARG 9 HG2 ARG 9 5.907 8.654 -1.173
78 HG3 ARG 9 HG1 ARG 9 5.132 10.148 -0.538
79 HD2 ARG 9 HD2 ARG 9 4.646 10.923 -2.878
80 HD3 ARG 9 HD1 ARG 9 5.463 9.436 -3.539
81 HE ARG 9 HE ARG 9 3.494 8.529 -1.697
82 HH11 ARG 9 HH11 ARG 9 3.718 10.397 -4.722
83 HH12 ARG 9 HH12 ARG 9 2.164 9.914 -5.317
84 HH21 ARG 9 HH21 ARG 9 1.382 7.867 -2.508
85 HH22 ARG 9 HH22 ARG 9 0.814 8.450 -4.036
86 H ASN 10 HN ASN 10 10.048 9.483 -0.905
87 HA ASN 10 HA ASN 10 9.365 6.814 -0.489
88 HB2 ASN 10 HB2 ASN 10 12.100 8.205 -0.631
89 HB3 ASN 10 HB1 ASN 10 11.911 6.416 -0.522
90 HD21 ASN 10 HD21 ASN 10 12.102 9.117 -2.657
91 H PHE 11 HN PHE 11 10.261 9.362 1.762
92 HA PHE 11 HA PHE 11 10.669 7.275 3.791
93 HB2 PHE 11 HB2 PHE 11 11.542 10.233 3.813
94 HB3 PHE 11 HB1 PHE 11 11.710 9.102 5.210
95 HD1 PHE 11 HD1 PHE 11 13.029 10.143 1.976
96 HD2 PHE 11 HD2 PHE 11 13.310 7.267 5.095
97 HE1 PHE 11 HE1 PHE 11 15.229 9.453 1.145
98 HE2 PHE 11 HE2 PHE 11 15.510 6.581 4.261
99 HZ PHE 11 HZ PHE 11 16.471 7.672 2.287
100 H ILE 12 HN ILE 12 9.602 10.790 3.808
101 HA ILE 12 HA ILE 12 7.020 10.329 4.322
102 HB ILE 12 HB ILE 12 7.007 9.807 6.506
103 HG12 ILE 12 HG12 ILE 12 6.617 12.345 6.393
104 HG13 ILE 12 HG11 ILE 12 6.907 11.605 7.988
105 HG21 ILE 12 HG21 ILE 12 9.173 10.211 7.997
106 HG22 ILE 12 HG22 ILE 12 9.993 10.508 6.420
107 HG23 ILE 12 HG23 ILE 12 9.204 8.918 6.743
108 HD11 ILE 12 HD11 ILE 12 9.390 12.607 6.595
109 HD12 ILE 12 HD12 ILE 12 8.874 12.777 8.317
110 HD13 ILE 12 HD13 ILE 12 8.197 13.881 7.059
111 H LEU 13 HN LEU 13 6.069 12.368 4.304
112 HA LEU 13 HA LEU 13 8.030 14.462 3.844
113 HB2 LEU 13 HB2 LEU 13 6.874 15.159 1.964
114 HB3 LEU 13 HB1 LEU 13 6.606 13.377 1.917
115 HG LEU 13 HG LEU 13 4.595 15.116 3.368
116 HD11 LEU 13 HD11 LEU 13 3.895 14.794 0.525
117 HD12 LEU 13 HD12 LEU 13 5.425 15.751 0.717
118 HD13 LEU 13 HD13 LEU 13 3.907 16.277 1.556
119 HD21 LEU 13 HD21 LEU 13 3.947 12.810 1.494
120 HD22 LEU 13 HD22 LEU 13 3.185 13.284 3.057
121 HD23 LEU 13 HD23 LEU 13 4.770 12.422 3.058
122 H GLN 14 HN GLN 14 5.105 13.395 5.476
123 HA GLN 14 HA GLN 14 4.170 14.174 7.285
124 HB2 GLN 14 HB2 GLN 14 6.401 15.054 8.021
125 HB3 GLN 14 HB1 GLN 14 6.038 16.590 7.153
126 HG2 GLN 14 HG2 GLN 14 4.130 17.048 8.572
127 HG3 GLN 14 HG1 GLN 14 4.251 15.416 9.346
128 HE21 GLN 14 HE21 GLN 14 4.665 18.454 10.235
129 HE22 GLN 14 HE22 GLN 14 6.129 18.389 11.155
130 H ARG 15 HN ARG 15 4.777 16.737 4.835
131 HA ARG 15 HA ARG 15 2.640 18.305 5.648
132 HB2 ARG 15 HB2 ARG 15 4.156 18.075 3.030
133 HB3 ARG 15 HB1 ARG 15 2.696 19.122 3.134
134 HG2 ARG 15 HG2 ARG 15 4.472 20.611 3.602
135 HG3 ARG 15 HG1 ARG 15 3.824 20.198 5.226
136 HD2 ARG 15 HD2 ARG 15 5.734 18.271 5.131
137 HD3 ARG 15 HD1 ARG 15 6.488 19.417 3.946
138 HE ARG 15 HE ARG 15 6.046 19.885 6.854
139 HH11 ARG 15 HH11 ARG 15 6.815 21.207 3.627
140 HH12 ARG 15 HH12 ARG 15 7.599 22.629 4.229
141 HH21 ARG 15 HH21 ARG 15 7.115 21.820 7.663
142 HH22 ARG 15 HH22 ARG 15 7.773 22.982 6.561
143 H LYS 16 HN LYS 16 2.725 15.577 3.317
144 HA LYS 16 HA LYS 16 -0.069 16.062 2.776
145 HB2 LYS 16 HB2 LYS 16 1.221 15.336 0.847
146 HB3 LYS 16 HB1 LYS 16 1.935 13.986 1.778
147 HG2 LYS 16 HG2 LYS 16 -0.170 12.772 1.817
148 HG3 LYS 16 HG1 LYS 16 -1.064 14.187 1.150
149 HD2 LYS 16 HD2 LYS 16 -0.671 12.520 -0.620
150 HD3 LYS 16 HD1 LYS 16 0.261 14.018 -0.969
151 HE2 LYS 16 HE2 LYS 16 2.348 12.951 -0.084
152 HE3 LYS 16 HE1 LYS 16 1.415 11.446 0.309
153 HZ1 LYS 16 HZ1 LYS 16 2.396 11.079 -1.742
154 HZ2 LYS 16 HZ2 LYS 16 2.009 12.621 -2.346
155 HZ3 LYS 16 HZ3 LYS 16 0.785 11.466 -2.122
156 H LYS 17 HN LYS 17 1.839 14.489 5.130
157 HA LYS 17 HA LYS 17 -0.259 12.507 5.617
158 HB2 LYS 17 HB2 LYS 17 2.420 12.852 7.090
159 HB3 LYS 17 HB1 LYS 17 1.277 11.472 7.251
160 HG2 LYS 17 HG2 LYS 17 2.829 12.229 4.703
161 HG3 LYS 17 HG1 LYS 17 3.261 10.909 5.838
162 HD2 LYS 17 HD2 LYS 17 1.077 9.779 5.352
163 HD3 LYS 17 HD1 LYS 17 0.643 11.103 4.216
164 HE2 LYS 17 HE2 LYS 17 2.613 10.523 2.773
165 HE3 LYS 17 HE1 LYS 17 3.055 9.186 3.918
166 HZ1 LYS 17 HZ1 LYS 17 0.699 8.386 3.502
167 HZ2 LYS 17 HZ2 LYS 17 1.831 8.202 2.249
168 HZ3 LYS 17 HZ3 LYS 17 0.676 9.446 2.176