Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
21729 | 2i2j RC | 15068 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H SER 1 1H SER 1 -14.425 -1.346 -1.351
2 2H SER 1 2H SER 1 -14.325 -1.523 -1.356
3 3H SER 1 3H SER 1 -14.434 -1.465 -1.361
4 HA SER 1 HA SER 1 -14.238 -1.470 -1.266
5 1HB SER 1 HB2 SER 1 -14.285 -1.589 -1.318
6 2HB SER 1 HB1 SER 1 -14.242 -1.576 -1.251
7 HG SER 1 HG SER 1 -14.368 -1.530 -1.345
8 H GLY 2 HN GLY 2 -13.535 -1.585 -1.035
9 1HA GLY 2 HA2 GLY 2 -13.317 -1.721 -1.013
10 2HA GLY 2 HA1 GLY 2 -13.165 -1.791 -1.040
11 H SER 3 HN SER 3 -12.369 -1.578 -0.782
12 HA SER 3 HA SER 3 -11.895 -1.189 -0.492
13 1HB SER 3 HB2 SER 3 -12.067 -1.415 -0.278
14 2HB SER 3 HB1 SER 3 -11.961 -1.450 -0.287
15 HG SER 3 HG SER 3 -12.306 -1.381 -0.185
16 H LEU 4 HN LEU 4 -10.564 -1.115 -1.175
17 HA LEU 4 HA LEU 4 -9.165 -2.191 -0.556
18 1HB LEU 4 HB2 LEU 4 -9.750 -1.920 -2.242
19 2HB LEU 4 HB1 LEU 4 -8.954 -1.718 -2.005
20 HG LEU 4 HG LEU 4 -9.492 -2.750 -1.969
21 1HD1 LEU 4 HD11 LEU 4 -9.881 -3.266 -2.795
22 2HD1 LEU 4 HD12 LEU 4 -9.891 -3.123 -2.705
23 3HD1 LEU 4 HD13 LEU 4 -9.946 -3.142 -2.738
24 1HD2 LEU 4 HD21 LEU 4 -9.177 -3.099 -2.628
25 2HD2 LEU 4 HD22 LEU 4 -9.297 -3.096 -2.699
26 3HD2 LEU 4 HD23 LEU 4 -9.288 -3.198 -2.617
27 H SER 5 HN SER 5 -9.764 0.822 -0.665
28 HA SER 5 HA SER 5 -7.591 1.913 -1.030
29 1HB SER 5 HB2 SER 5 -9.189 2.816 0.031
30 2HB SER 5 HB1 SER 5 -9.150 2.786 0.346
31 HG SER 5 HG SER 5 -9.213 3.319 0.148
32 H THR 6 HN THR 6 -8.477 1.258 2.232
33 HA THR 6 HA THR 6 -6.093 1.816 3.498
34 HB THR 6 HB THR 6 -7.498 -0.286 4.497
35 HG1 THR 6 HG1 THR 6 -8.723 0.516 4.405
36 1HG2 THR 6 HG21 THR 6 -7.370 0.872 5.574
37 2HG2 THR 6 HG22 THR 6 -7.343 1.015 5.520
38 3HG2 THR 6 HG23 THR 6 -7.229 0.917 5.566
39 H PHE 7 HN PHE 7 -7.046 -1.445 2.397
40 HA PHE 7 HA PHE 7 -4.659 -2.804 2.924
41 1HB PHE 7 HB2 PHE 7 -6.944 -3.226 1.392
42 2HB PHE 7 HB1 PHE 7 -5.807 -3.711 0.581
43 HD1 PHE 7 HD1 PHE 7 -4.960 -5.285 2.072
44 HD2 PHE 7 HD2 PHE 7 -7.134 -4.125 2.309
45 HE1 PHE 7 HE1 PHE 7 -4.946 -7.098 3.181
46 HE2 PHE 7 HE2 PHE 7 -7.120 -5.938 3.418
47 HZ PHE 7 HZ PHE 7 -6.026 -7.424 3.854
48 H PHE 8 HN PHE 8 -5.566 -1.406 -0.251
49 HA PHE 8 HA PHE 8 -3.131 -1.757 -1.590
50 1HB PHE 8 HB2 PHE 8 -5.418 -0.584 -2.174
51 2HB PHE 8 HB1 PHE 8 -4.617 0.677 -2.013
52 HD1 PHE 8 HD1 PHE 8 -4.011 1.026 -3.615
53 HD2 PHE 8 HD2 PHE 8 -4.061 -1.807 -3.427
54 HE1 PHE 8 HE1 PHE 8 -3.259 0.810 -5.627
55 HE2 PHE 8 HE2 PHE 8 -3.310 -2.023 -5.438
56 HZ PHE 8 HZ PHE 8 -2.909 -0.714 -6.538
57 H ARG 9 HN ARG 9 -4.134 1.191 0.185
58 HA ARG 9 HA ARG 9 -1.743 2.646 -0.024
59 1HB ARG 9 HB2 ARG 9 -4.021 2.897 1.373
60 2HB ARG 9 HB1 ARG 9 -3.108 2.901 2.410
61 1HG ARG 9 HG2 ARG 9 -2.601 4.304 1.381
62 2HG ARG 9 HG1 ARG 9 -2.999 4.389 1.048
63 1HD ARG 9 HD2 ARG 9 -3.397 5.104 1.627
64 2HD ARG 9 HD1 ARG 9 -3.228 5.045 1.743
65 HE ARG 9 HE ARG 9 -3.183 5.704 1.630
66 1HH1 ARG 9 HH11 ARG 9 -4.236 6.733 1.069
67 2HH1 ARG 9 HH12 ARG 9 -4.083 7.347 1.372
68 1HH2 ARG 9 HH21 ARG 9 -2.678 6.161 2.285
69 2HH2 ARG 9 HH22 ARG 9 -3.201 7.023 2.060
70 H LEU 10 HN LEU 10 -2.683 0.400 2.603
71 HA LEU 10 HA LEU 10 -0.326 0.545 4.138
72 1HB LEU 10 HB2 LEU 10 -2.596 -0.861 4.232
73 2HB LEU 10 HB1 LEU 10 -1.632 -2.009 3.890
74 HG LEU 10 HG LEU 10 -0.851 -0.972 5.666
75 1HD1 LEU 10 HD11 LEU 10 -1.722 -0.832 6.433
76 2HD1 LEU 10 HD12 LEU 10 -1.698 -0.896 6.579
77 3HD1 LEU 10 HD13 LEU 10 -1.789 -0.976 6.489
78 1HD2 LEU 10 HD21 LEU 10 -1.241 -2.044 5.946
79 2HD2 LEU 10 HD22 LEU 10 -1.275 -2.024 5.911
80 3HD2 LEU 10 HD23 LEU 10 -1.213 -2.022 6.122
81 H PHE 11 HN PHE 11 -1.103 -1.771 1.522
82 HA PHE 11 HA PHE 11 1.351 -3.182 1.506
83 1HB PHE 11 HB2 PHE 11 -0.913 -3.192 0.050
84 2HB PHE 11 HB1 PHE 11 0.068 -2.770 -1.009
85 HD1 PHE 11 HD1 PHE 11 0.088 -4.868 0.950
86 HD2 PHE 11 HD2 PHE 11 0.717 -4.250 -1.647
87 HE1 PHE 11 HE1 PHE 11 0.682 -6.923 0.678
88 HE2 PHE 11 HE2 PHE 11 1.311 -6.305 -1.919
89 HZ PHE 11 HZ PHE 11 1.294 -7.641 -0.756
90 H ASN 12 HN ASN 12 0.389 -0.372 -0.499
91 HA ASN 12 HA ASN 12 2.846 -0.028 -1.871
92 1HB ASN 12 HB2 ASN 12 0.536 1.262 -1.832
93 2HB ASN 12 HB1 ASN 12 1.300 2.260 -1.230
94 1HD2 ASN 12 HD21 ASN 12 1.708 2.395 -3.028
95 2HD2 ASN 12 HD22 ASN 12 2.093 2.596 -4.075
96 H ARG 13 HN ARG 13 1.707 1.608 1.106
97 HA ARG 13 HA ARG 13 4.039 3.117 1.637
98 1HB ARG 13 HB2 ARG 13 1.715 2.643 2.898
99 2HB ARG 13 HB1 ARG 13 2.630 2.133 3.873
100 1HG ARG 13 HG2 ARG 13 3.113 3.902 3.587
101 2HG ARG 13 HG1 ARG 13 2.704 4.219 3.467
102 1HD ARG 13 HD2 ARG 13 2.490 4.434 4.240
103 2HD ARG 13 HD1 ARG 13 2.577 4.374 4.246
104 HE ARG 13 HE ARG 13 2.637 5.061 4.605
105 1HH1 ARG 13 HH11 ARG 13 1.666 5.683 5.547
106 2HH1 ARG 13 HH12 ARG 13 2.116 6.291 5.830
107 1HH2 ARG 13 HH21 ARG 13 3.640 5.627 4.643
108 2HH2 ARG 13 HH22 ARG 13 3.234 6.259 5.318
109 H SER 14 HN SER 14 3.161 -0.121 2.888
110 HA SER 14 HA SER 14 5.522 -0.615 4.367
111 1HB SER 14 HB2 SER 14 3.741 -2.258 3.902
112 2HB SER 14 HB1 SER 14 4.018 -2.557 3.444
113 HG SER 14 HG SER 14 4.195 -2.927 4.280
114 H PHE 15 HN PHE 15 4.772 -1.461 0.977
115 HA PHE 15 HA PHE 15 7.246 -2.709 0.352
116 1HB PHE 15 HB2 PHE 15 4.988 -2.247 -0.956
117 2HB PHE 15 HB1 PHE 15 5.837 -1.201 -1.664
118 HD1 PHE 15 HD1 PHE 15 6.021 -3.989 -1.046
119 HD2 PHE 15 HD2 PHE 15 6.860 -2.074 -2.984
120 HE1 PHE 15 HE1 PHE 15 6.845 -5.532 -2.340
121 HE2 PHE 15 HE2 PHE 15 7.684 -3.617 -4.277
122 HZ PHE 15 HZ PHE 15 7.677 -5.346 -3.955
123 H THR 16 HN THR 16 6.219 0.676 -0.188
124 HA THR 16 HA THR 16 8.664 1.629 -1.263
125 HB THR 16 HB THR 16 6.947 3.266 0.191
126 HG1 THR 16 HG1 THR 16 5.971 2.945 -0.968
127 1HG2 THR 16 HG21 THR 16 7.502 4.016 -1.222
128 2HG2 THR 16 HG22 THR 16 7.663 3.954 -1.209
129 3HG2 THR 16 HG23 THR 16 7.587 4.037 -1.064
130 H GLN 17 HN GLN 17 7.501 1.658 2.109
131 HA GLN 17 HA GLN 17 9.794 2.881 3.262
132 1HB GLN 17 HB2 GLN 17 7.528 2.035 4.225
133 2HB GLN 17 HB1 GLN 17 8.261 1.027 4.737
134 1HG GLN 17 HG2 GLN 17 9.010 2.526 5.374
135 2HG GLN 17 HG1 GLN 17 8.527 2.865 5.445
136 1HE2 GLN 17 HE21 GLN 17 8.543 2.759 6.667
137 2HE2 GLN 17 HE22 GLN 17 8.322 2.831 7.344
138 H ALA 18 HN ALA 18 8.974 -0.567 2.886
139 HA ALA 18 HA ALA 18 11.336 -1.611 4.076
140 1HB ALA 18 HB1 ALA 18 9.779 -3.043 2.840
141 2HB ALA 18 HB2 ALA 18 9.864 -3.113 2.825
142 3HB ALA 18 HB3 ALA 18 9.817 -3.066 2.737
143 H LEU 19 HN LEU 19 10.554 -1.110 0.649
144 HA LEU 19 HA LEU 19 13.001 -1.918 -0.465
145 1HB LEU 19 HB2 LEU 19 10.756 -0.877 -1.377
146 2HB LEU 19 HB1 LEU 19 11.663 0.263 -1.667
147 HG LEU 19 HG LEU 19 12.470 -1.477 -2.525
148 1HD1 LEU 19 HD11 LEU 19 11.682 -1.862 -3.205
149 2HD1 LEU 19 HD12 LEU 19 11.737 -1.931 -3.302
150 3HD1 LEU 19 HD13 LEU 19 11.744 -1.880 -3.348
151 1HD2 LEU 19 HD21 LEU 19 12.265 -0.941 -3.378
152 2HD2 LEU 19 HD22 LEU 19 12.263 -0.877 -3.352
153 3HD2 LEU 19 HD23 LEU 19 12.136 -0.860 -3.341
154 H GLY 20 HN GLY 20 12.121 1.187 0.904
155 1HA GLY 20 HA2 GLY 20 14.099 2.541 1.044
156 2HA GLY 20 HA1 GLY 20 14.138 2.478 1.137
157 H LYS 21 HN LYS 21 13.307 1.287 0.630
158 HA LYS 21 HA LYS 21 14.522 2.636 0.985
159 1HB LYS 21 HB2 LYS 21 14.001 2.068 0.950
160 2HB LYS 21 HB1 LYS 21 14.260 2.190 0.952
161 1HG LYS 21 HG2 LYS 21 14.528 2.391 0.954
162 2HG LYS 21 HG1 LYS 21 14.386 2.469 1.042
163 1HD LYS 21 HD2 LYS 21 14.519 2.449 1.109
164 2HD LYS 21 HD1 LYS 21 14.479 2.336 0.985
165 1HE LYS 21 HE2 LYS 21 14.756 2.400 1.167
166 2HE LYS 21 HE1 LYS 21 14.731 2.362 1.094
167 1HZ LYS 21 HZ1 LYS 21 14.727 2.480 1.092
168 2HZ LYS 21 HZ2 LYS 21 14.695 2.597 1.202
169 3HZ LYS 21 HZ3 LYS 21 14.764 2.440 1.223
170 1HN NH2 22 1HN NH2 22 14.436 2.478 0.789
171 2HN NH2 22 2HN NH2 22 14.541 2.537 0.687
Start of MODEL 2
1 1H SER 1 1H SER 1 -11.307 -6.676 -5.495
2 2H SER 1 2H SER 1 -11.367 -6.045 -3.919
3 3H SER 1 3H SER 1 -11.695 -5.043 -5.251
4 HA SER 1 HA SER 1 -13.576 -6.799 -5.706
5 1HB SER 1 HB2 SER 1 -12.799 -7.023 -2.787
6 2HB SER 1 HB1 SER 1 -14.362 -7.558 -3.399
7 HG SER 1 HG SER 1 -12.953 -8.740 -5.006
8 H GLY 2 HN GLY 2 -13.674 -5.296 -2.500
9 1HA GLY 2 HA2 GLY 2 -15.153 -2.981 -3.667
10 2HA GLY 2 HA1 GLY 2 -15.858 -3.888 -2.327
11 H SER 3 HN SER 3 -14.130 -1.160 -3.004
12 HA SER 3 HA SER 3 -12.870 0.320 -1.657
13 1HB SER 3 HB2 SER 3 -14.966 -0.294 -0.289
14 2HB SER 3 HB1 SER 3 -13.915 -1.380 0.616
15 HG SER 3 HG SER 3 -12.533 0.597 0.813
16 H LEU 4 HN LEU 4 -10.687 -0.099 -1.979
17 HA LEU 4 HA LEU 4 -9.433 -2.151 -0.191
18 1HB LEU 4 HB2 LEU 4 -9.122 -1.657 -3.157
19 2HB LEU 4 HB1 LEU 4 -7.889 -2.515 -2.232
20 HG LEU 4 HG LEU 4 -9.901 -3.950 -1.370
21 1HD1 LEU 4 HD11 LEU 4 -11.187 -2.184 -3.216
22 2HD1 LEU 4 HD12 LEU 4 -11.908 -3.488 -2.272
23 3HD1 LEU 4 HD13 LEU 4 -11.260 -3.816 -3.879
24 1HD2 LEU 4 HD21 LEU 4 -9.038 -4.232 -4.263
25 2HD2 LEU 4 HD22 LEU 4 -9.533 -5.523 -3.168
26 3HD2 LEU 4 HD23 LEU 4 -8.014 -4.670 -2.895
27 H SER 5 HN SER 5 -9.700 0.987 -0.482
28 HA SER 5 HA SER 5 -7.223 2.179 -1.054
29 1HB SER 5 HB2 SER 5 -9.495 3.173 -0.368
30 2HB SER 5 HB1 SER 5 -8.989 2.897 1.297
31 HG SER 5 HG SER 5 -6.958 4.044 0.370
32 H THR 6 HN THR 6 -8.283 1.447 2.291
33 HA THR 6 HA THR 6 -5.898 1.737 3.652
34 HB THR 6 HB THR 6 -6.976 -0.527 4.792
35 HG1 THR 6 HG1 THR 6 -9.219 0.801 3.816
36 1HG2 THR 6 HG21 THR 6 -8.554 1.919 5.253
37 2HG2 THR 6 HG22 THR 6 -6.808 2.147 5.366
38 3HG2 THR 6 HG23 THR 6 -7.610 0.956 6.390
39 H PHE 7 HN PHE 7 -6.967 -1.495 2.521
40 HA PHE 7 HA PHE 7 -4.592 -2.905 2.863
41 1HB PHE 7 HB2 PHE 7 -6.590 -3.046 0.580
42 2HB PHE 7 HB1 PHE 7 -5.477 -4.337 1.032
43 HD1 PHE 7 HD1 PHE 7 -5.670 -5.417 3.292
44 HD2 PHE 7 HD2 PHE 7 -8.603 -2.650 1.811
45 HE1 PHE 7 HE1 PHE 7 -7.281 -6.209 5.003
46 HE2 PHE 7 HE2 PHE 7 -10.214 -3.442 3.522
47 HZ PHE 7 HZ PHE 7 -9.553 -5.222 5.118
48 H PHE 8 HN PHE 8 -5.562 -1.339 -0.220
49 HA PHE 8 HA PHE 8 -3.176 -1.707 -1.653
50 1HB PHE 8 HB2 PHE 8 -5.366 0.346 -1.583
51 2HB PHE 8 HB1 PHE 8 -3.984 0.612 -2.646
52 HD1 PHE 8 HD1 PHE 8 -5.187 0.331 -4.734
53 HD2 PHE 8 HD2 PHE 8 -5.231 -2.743 -1.735
54 HE1 PHE 8 HE1 PHE 8 -6.142 -1.260 -6.379
55 HE2 PHE 8 HE2 PHE 8 -6.186 -4.335 -3.380
56 HZ PHE 8 HZ PHE 8 -6.641 -3.593 -5.702
57 H ARG 9 HN ARG 9 -4.048 1.129 0.368
58 HA ARG 9 HA ARG 9 -1.585 2.525 0.104
59 1HB ARG 9 HB2 ARG 9 -3.709 3.422 1.011
60 2HB ARG 9 HB1 ARG 9 -3.539 2.381 2.425
61 1HG ARG 9 HG2 ARG 9 -2.281 3.962 3.410
62 2HG ARG 9 HG1 ARG 9 -1.084 3.779 2.128
63 1HD ARG 9 HD2 ARG 9 -1.877 5.610 0.939
64 2HD ARG 9 HD1 ARG 9 -3.530 5.424 1.559
65 HE ARG 9 HE ARG 9 -1.378 6.879 2.882
66 1HH1 ARG 9 HH11 ARG 9 -4.518 7.099 2.914
67 2HH1 ARG 9 HH12 ARG 9 -4.800 6.860 4.606
68 1HH2 ARG 9 HH21 ARG 9 -1.607 5.664 5.240
69 2HH2 ARG 9 HH22 ARG 9 -3.152 6.048 5.923
70 H LEU 10 HN LEU 10 -2.648 0.287 2.699
71 HA LEU 10 HA LEU 10 -0.322 0.307 4.283
72 1HB LEU 10 HB2 LEU 10 -2.297 -0.802 5.028
73 2HB LEU 10 HB1 LEU 10 -2.368 -1.808 3.581
74 HG LEU 10 HG LEU 10 -0.221 -2.883 4.276
75 1HD1 LEU 10 HD11 LEU 10 0.702 -1.103 5.648
76 2HD1 LEU 10 HD12 LEU 10 0.476 -2.528 6.661
77 3HD1 LEU 10 HD13 LEU 10 -0.670 -1.191 6.752
78 1HD2 LEU 10 HD21 LEU 10 -2.822 -3.108 5.562
79 2HD2 LEU 10 HD22 LEU 10 -1.528 -3.609 6.650
80 3HD2 LEU 10 HD23 LEU 10 -1.706 -4.385 5.077
81 H PHE 11 HN PHE 11 -1.077 -1.867 1.532
82 HA PHE 11 HA PHE 11 1.399 -3.297 1.557
83 1HB PHE 11 HB2 PHE 11 -0.806 -2.717 -0.398
84 2HB PHE 11 HB1 PHE 11 0.642 -3.549 -0.966
85 HD1 PHE 11 HD1 PHE 11 -0.561 -3.863 2.500
86 HD2 PHE 11 HD2 PHE 11 -0.505 -5.664 -1.400
87 HE1 PHE 11 HE1 PHE 11 -1.398 -5.986 3.469
88 HE2 PHE 11 HE2 PHE 11 -1.342 -7.787 -0.431
89 HZ PHE 11 HZ PHE 11 -1.788 -7.949 2.003
90 H ASN 12 HN ASN 12 0.367 -0.458 -0.372
91 HA ASN 12 HA ASN 12 2.802 -0.108 -1.816
92 1HB ASN 12 HB2 ASN 12 0.435 1.545 -1.012
93 2HB ASN 12 HB1 ASN 12 1.821 2.369 -1.729
94 1HD2 ASN 12 HD21 ASN 12 -0.391 2.487 -3.296
95 2HD2 ASN 12 HD22 ASN 12 -0.310 1.386 -4.585
96 H ARG 13 HN ARG 13 1.688 1.409 1.234
97 HA ARG 13 HA ARG 13 4.007 3.002 1.703
98 1HB ARG 13 HB2 ARG 13 1.544 2.378 2.914
99 2HB ARG 13 HB1 ARG 13 2.768 1.959 4.114
100 1HG ARG 13 HG2 ARG 13 2.398 4.234 4.547
101 2HG ARG 13 HG1 ARG 13 3.812 4.272 3.493
102 1HD ARG 13 HD2 ARG 13 1.561 4.247 1.770
103 2HD ARG 13 HD1 ARG 13 1.217 5.445 3.034
104 HE ARG 13 HE ARG 13 3.928 5.778 2.279
105 1HH1 ARG 13 HH11 ARG 13 0.958 7.183 1.899
106 2HH1 ARG 13 HH12 ARG 13 1.288 7.940 0.377
107 1HH2 ARG 13 HH21 ARG 13 4.287 6.268 -0.106
108 2HH2 ARG 13 HH22 ARG 13 3.172 7.422 -0.759
109 H SER 14 HN SER 14 3.160 -0.226 3.022
110 HA SER 14 HA SER 14 5.560 -0.683 4.464
111 1HB SER 14 HB2 SER 14 3.431 -1.989 4.561
112 2HB SER 14 HB1 SER 14 3.798 -2.655 2.972
113 HG SER 14 HG SER 14 5.548 -2.832 5.197
114 H PHE 15 HN PHE 15 4.736 -1.515 1.083
115 HA PHE 15 HA PHE 15 7.220 -2.799 0.448
116 1HB PHE 15 HB2 PHE 15 4.864 -1.634 -0.944
117 2HB PHE 15 HB1 PHE 15 6.319 -1.834 -1.921
118 HD1 PHE 15 HD1 PHE 15 5.005 -3.881 0.924
119 HD2 PHE 15 HD2 PHE 15 5.968 -3.733 -3.259
120 HE1 PHE 15 HE1 PHE 15 4.544 -6.310 0.732
121 HE2 PHE 15 HE2 PHE 15 5.507 -6.162 -3.451
122 HZ PHE 15 HZ PHE 15 4.795 -7.451 -1.456
123 H THR 16 HN THR 16 6.093 0.513 -0.364
124 HA THR 16 HA THR 16 8.523 1.469 -1.463
125 HB THR 16 HB THR 16 6.533 3.044 0.194
126 HG1 THR 16 HG1 THR 16 6.343 1.904 -2.379
127 1HG2 THR 16 HG21 THR 16 7.772 4.760 -0.571
128 2HG2 THR 16 HG22 THR 16 7.204 4.358 -2.191
129 3HG2 THR 16 HG23 THR 16 8.722 3.686 -1.598
130 H GLN 17 HN GLN 17 7.315 1.846 1.897
131 HA GLN 17 HA GLN 17 9.585 3.155 2.974
132 1HB GLN 17 HB2 GLN 17 7.543 3.028 4.205
133 2HB GLN 17 HB1 GLN 17 7.500 1.269 4.089
134 1HG GLN 17 HG2 GLN 17 8.876 1.003 5.870
135 2HG GLN 17 HG1 GLN 17 9.953 2.295 5.338
136 1HE2 GLN 17 HE21 GLN 17 9.220 4.574 5.828
137 2HE2 GLN 17 HE22 GLN 17 8.222 4.843 7.174
138 H ALA 18 HN ALA 18 8.843 -0.352 2.891
139 HA ALA 18 HA ALA 18 11.224 -1.261 4.156
140 1HB ALA 18 HB1 ALA 18 10.607 -3.319 2.592
141 2HB ALA 18 HB2 ALA 18 9.169 -2.352 2.264
142 3HB ALA 18 HB3 ALA 18 9.539 -2.850 3.915
143 H LEU 19 HN LEU 19 10.503 -1.119 0.641
144 HA LEU 19 HA LEU 19 12.962 -1.894 -0.407
145 1HB LEU 19 HB2 LEU 19 10.651 -0.284 -1.183
146 2HB LEU 19 HB1 LEU 19 12.126 0.252 -1.988
147 HG LEU 19 HG LEU 19 12.184 -2.573 -2.046
148 1HD1 LEU 19 HD11 LEU 19 9.576 -1.942 -1.651
149 2HD1 LEU 19 HD12 LEU 19 10.098 -3.323 -2.617
150 3HD1 LEU 19 HD13 LEU 19 9.660 -1.809 -3.408
151 1HD2 LEU 19 HD21 LEU 19 12.576 -2.193 -4.279
152 2HD2 LEU 19 HD22 LEU 19 12.758 -0.531 -3.717
153 3HD2 LEU 19 HD23 LEU 19 11.233 -1.059 -4.427
154 H GLY 20 HN GLY 20 12.058 1.354 0.772
155 1HA GLY 20 HA2 GLY 20 13.901 2.555 2.018
156 2HA GLY 20 HA1 GLY 20 14.967 2.065 0.698
157 H LYS 21 HN LYS 21 12.041 2.714 -0.724
158 HA LYS 21 HA LYS 21 11.212 4.568 -1.935
159 1HB LYS 21 HB2 LYS 21 12.095 5.447 0.615
160 2HB LYS 21 HB1 LYS 21 12.652 6.648 -0.550
161 1HG LYS 21 HG2 LYS 21 10.566 7.472 -0.690
162 2HG LYS 21 HG1 LYS 21 9.997 5.910 -1.281
163 1HD LYS 21 HD2 LYS 21 8.725 6.053 0.637
164 2HD LYS 21 HD1 LYS 21 10.165 5.293 1.315
165 1HE LYS 21 HE2 LYS 21 9.472 7.230 2.696
166 2HE LYS 21 HE1 LYS 21 11.037 7.556 1.925
167 1HZ LYS 21 HZ1 LYS 21 10.105 8.947 0.387
168 2HZ LYS 21 HZ2 LYS 21 9.077 9.257 1.704
169 3HZ LYS 21 HZ3 LYS 21 8.579 8.209 0.462
170 1HN NH2 22 1HN NH2 22 14.471 5.795 -0.990
171 2HN NH2 22 2HN NH2 22 15.064 5.908 -2.576
Start of MODEL 3
1 1H SER 1 1H SER 1 -13.168 2.215 -11.070
2 2H SER 1 2H SER 1 -12.693 1.066 -12.228
3 3H SER 1 3H SER 1 -12.324 2.708 -12.456
4 HA SER 1 HA SER 1 -10.341 1.556 -11.732
5 1HB SER 1 HB2 SER 1 -11.298 3.894 -10.895
6 2HB SER 1 HB1 SER 1 -11.340 3.064 -9.341
7 HG SER 1 HG SER 1 -9.201 2.922 -9.344
8 H GLY 2 HN GLY 2 -9.455 -0.078 -10.465
9 1HA GLY 2 HA2 GLY 2 -11.089 -2.021 -9.236
10 2HA GLY 2 HA1 GLY 2 -9.363 -1.842 -8.917
11 H SER 3 HN SER 3 -8.696 -0.671 -7.074
12 HA SER 3 HA SER 3 -10.422 0.924 -5.431
13 1HB SER 3 HB2 SER 3 -11.152 -1.694 -5.404
14 2HB SER 3 HB1 SER 3 -9.988 -1.686 -4.082
15 HG SER 3 HG SER 3 -11.537 -0.834 -2.958
16 H LEU 4 HN LEU 4 -9.411 0.434 -2.908
17 HA LEU 4 HA LEU 4 -6.489 0.079 -3.037
18 1HB LEU 4 HB2 LEU 4 -7.430 2.504 -3.746
19 2HB LEU 4 HB1 LEU 4 -7.385 2.726 -1.997
20 HG LEU 4 HG LEU 4 -4.977 1.407 -2.951
21 1HD1 LEU 4 HD11 LEU 4 -4.615 2.579 -4.846
22 2HD1 LEU 4 HD12 LEU 4 -4.463 4.014 -3.832
23 3HD1 LEU 4 HD13 LEU 4 -6.020 3.604 -4.553
24 1HD2 LEU 4 HD21 LEU 4 -5.814 3.688 -1.231
25 2HD2 LEU 4 HD22 LEU 4 -4.174 3.750 -1.874
26 3HD2 LEU 4 HD23 LEU 4 -4.683 2.379 -0.888
27 H SER 5 HN SER 5 -8.703 1.919 -0.909
28 HA SER 5 HA SER 5 -9.140 1.687 1.402
29 1HB SER 5 HB2 SER 5 -8.580 -1.225 0.784
30 2HB SER 5 HB1 SER 5 -9.640 -0.588 2.038
31 HG SER 5 HG SER 5 -10.504 -1.315 -0.165
32 H THR 6 HN THR 6 -8.101 0.984 3.502
33 HA THR 6 HA THR 6 -5.409 1.707 3.741
34 HB THR 6 HB THR 6 -5.580 0.456 5.922
35 HG1 THR 6 HG1 THR 6 -6.800 -1.258 5.622
36 1HG2 THR 6 HG21 THR 6 -7.952 1.622 6.440
37 2HG2 THR 6 HG22 THR 6 -7.587 2.395 4.899
38 3HG2 THR 6 HG23 THR 6 -6.462 2.545 6.249
39 H PHE 7 HN PHE 7 -6.789 -1.495 3.066
40 HA PHE 7 HA PHE 7 -4.510 -3.123 3.401
41 1HB PHE 7 HB2 PHE 7 -7.079 -3.431 2.586
42 2HB PHE 7 HB1 PHE 7 -6.254 -3.584 1.035
43 HD1 PHE 7 HD1 PHE 7 -5.963 -5.819 0.449
44 HD2 PHE 7 HD2 PHE 7 -5.419 -4.636 4.543
45 HE1 PHE 7 HE1 PHE 7 -5.296 -8.136 1.031
46 HE2 PHE 7 HE2 PHE 7 -4.753 -6.952 5.123
47 HZ PHE 7 HZ PHE 7 -4.691 -8.703 3.367
48 H PHE 8 HN PHE 8 -5.631 -1.719 0.287
49 HA PHE 8 HA PHE 8 -3.226 -2.309 -1.149
50 1HB PHE 8 HB2 PHE 8 -5.604 -1.651 -1.931
51 2HB PHE 8 HB1 PHE 8 -5.087 0.015 -1.669
52 HD1 PHE 8 HD1 PHE 8 -5.078 -2.743 -3.943
53 HD2 PHE 8 HD2 PHE 8 -2.864 0.754 -2.793
54 HE1 PHE 8 HE1 PHE 8 -3.920 -2.756 -6.136
55 HE2 PHE 8 HE2 PHE 8 -1.706 0.741 -4.986
56 HZ PHE 8 HZ PHE 8 -2.233 -1.013 -6.657
57 H ARG 9 HN ARG 9 -4.324 0.682 0.485
58 HA ARG 9 HA ARG 9 -2.090 2.322 -0.148
59 1HB ARG 9 HB2 ARG 9 -4.392 2.270 1.610
60 2HB ARG 9 HB1 ARG 9 -3.001 2.955 2.452
61 1HG ARG 9 HG2 ARG 9 -3.178 3.943 -0.279
62 2HG ARG 9 HG1 ARG 9 -4.651 4.288 0.627
63 1HD ARG 9 HD2 ARG 9 -1.936 4.834 1.839
64 2HD ARG 9 HD1 ARG 9 -2.737 6.028 0.797
65 HE ARG 9 HE ARG 9 -4.223 4.853 3.104
66 1HH1 ARG 9 HH21 ARG 9 -5.241 7.064 1.242
67 2HH1 ARG 9 HH22 ARG 9 -5.006 8.462 2.238
68 1HH2 ARG 9 HH11 ARG 9 -2.892 6.848 4.464
69 2HH2 ARG 9 HH12 ARG 9 -3.676 8.340 4.063
70 H LEU 10 HN LEU 10 -2.643 0.186 2.674
71 HA LEU 10 HA LEU 10 -0.153 0.718 3.986
72 1HB LEU 10 HB2 LEU 10 -2.118 -0.344 5.024
73 2HB LEU 10 HB1 LEU 10 -1.948 -1.732 3.949
74 HG LEU 10 HG LEU 10 0.578 -1.506 5.051
75 1HD1 LEU 10 HD11 LEU 10 -0.929 -1.528 7.536
76 2HD1 LEU 10 HD12 LEU 10 -1.108 0.014 6.700
77 3HD1 LEU 10 HD13 LEU 10 0.500 -0.585 7.108
78 1HD2 LEU 10 HD21 LEU 10 -1.635 -3.150 6.290
79 2HD2 LEU 10 HD22 LEU 10 0.063 -3.580 6.093
80 3HD2 LEU 10 HD23 LEU 10 -0.999 -3.512 4.686
81 H PHE 11 HN PHE 11 -1.114 -1.882 1.718
82 HA PHE 11 HA PHE 11 1.335 -3.306 1.656
83 1HB PHE 11 HB2 PHE 11 -1.149 -3.088 0.189
84 2HB PHE 11 HB1 PHE 11 0.193 -3.312 -0.933
85 HD1 PHE 11 HD1 PHE 11 -0.596 -4.573 2.517
86 HD2 PHE 11 HD2 PHE 11 0.478 -5.542 -1.527
87 HE1 PHE 11 HE1 PHE 11 -0.488 -6.976 3.121
88 HE2 PHE 11 HE2 PHE 11 0.587 -7.945 -0.923
89 HZ PHE 11 HZ PHE 11 0.104 -8.661 1.402
90 H ASN 12 HN ASN 12 0.231 -0.644 -0.480
91 HA ASN 12 HA ASN 12 2.635 -0.456 -2.023
92 1HB ASN 12 HB2 ASN 12 0.106 0.869 -1.684
93 2HB ASN 12 HB1 ASN 12 1.378 2.089 -1.764
94 1HD2 ASN 12 HD21 ASN 12 -0.362 1.996 -3.923
95 2HD2 ASN 12 HD22 ASN 12 0.407 1.316 -5.274
96 H ARG 13 HN ARG 13 1.518 1.638 0.674
97 HA ARG 13 HA ARG 13 3.879 3.167 0.966
98 1HB ARG 13 HB2 ARG 13 1.392 2.740 2.263
99 2HB ARG 13 HB1 ARG 13 2.636 2.594 3.506
100 1HG ARG 13 HG2 ARG 13 2.562 4.861 3.566
101 2HG ARG 13 HG1 ARG 13 3.514 4.776 2.083
102 1HD ARG 13 HD2 ARG 13 0.487 4.692 2.029
103 2HD ARG 13 HD1 ARG 13 1.391 6.219 1.963
104 HE ARG 13 HE ARG 13 2.653 4.639 0.074
105 1HH1 ARG 13 HH11 ARG 13 -0.444 3.777 0.269
106 2HH1 ARG 13 HH12 ARG 13 -0.998 4.526 -1.192
107 1HH2 ARG 13 HH21 ARG 13 1.884 6.403 -1.636
108 2HH2 ARG 13 HH22 ARG 13 0.321 6.013 -2.270
109 H SER 14 HN SER 14 2.954 0.121 2.607
110 HA SER 14 HA SER 14 5.270 -0.164 4.230
111 1HB SER 14 HB2 SER 14 4.548 -2.513 4.316
112 2HB SER 14 HB1 SER 14 3.144 -1.451 4.377
113 HG SER 14 HG SER 14 4.137 -3.004 2.238
114 H PHE 15 HN PHE 15 4.611 -1.435 0.945
115 HA PHE 15 HA PHE 15 7.100 -2.765 0.560
116 1HB PHE 15 HB2 PHE 15 4.733 -2.241 -0.831
117 2HB PHE 15 HB1 PHE 15 5.987 -1.497 -1.824
118 HD1 PHE 15 HD1 PHE 15 5.304 -4.652 0.086
119 HD2 PHE 15 HD2 PHE 15 7.193 -2.830 -3.314
120 HE1 PHE 15 HE1 PHE 15 5.986 -6.891 -0.736
121 HE2 PHE 15 HE2 PHE 15 7.875 -5.068 -4.135
122 HZ PHE 15 HZ PHE 15 7.273 -7.099 -2.846
123 H THR 16 HN THR 16 6.111 0.569 -0.306
124 HA THR 16 HA THR 16 8.581 1.381 -1.479
125 HB THR 16 HB THR 16 6.306 2.786 -0.067
126 HG1 THR 16 HG1 THR 16 5.575 2.352 -1.990
127 1HG2 THR 16 HG21 THR 16 8.935 3.840 -0.874
128 2HG2 THR 16 HG22 THR 16 7.733 4.527 0.219
129 3HG2 THR 16 HG23 THR 16 7.565 4.741 -1.523
130 H GLN 17 HN GLN 17 7.365 2.097 1.824
131 HA GLN 17 HA GLN 17 9.777 3.212 2.832
132 1HB GLN 17 HB2 GLN 17 8.702 2.892 4.978
133 2HB GLN 17 HB1 GLN 17 7.437 3.253 3.802
134 1HG GLN 17 HG2 GLN 17 6.959 0.852 3.558
135 2HG GLN 17 HG1 GLN 17 8.239 0.473 4.712
136 1HE2 GLN 17 HE21 GLN 17 6.562 -0.503 6.142
137 2HE2 GLN 17 HE22 GLN 17 5.556 0.500 7.071
138 H ALA 18 HN ALA 18 8.646 -0.161 2.720
139 HA ALA 18 HA ALA 18 10.702 -1.321 4.332
140 1HB ALA 18 HB1 ALA 18 8.856 -2.237 2.135
141 2HB ALA 18 HB2 ALA 18 8.813 -2.639 3.852
142 3HB ALA 18 HB3 ALA 18 10.046 -3.350 2.811
143 H LEU 19 HN LEU 19 10.457 -1.234 0.749
144 HA LEU 19 HA LEU 19 13.025 -2.252 0.165
145 1HB LEU 19 HB2 LEU 19 11.115 -0.347 -1.186
146 2HB LEU 19 HB1 LEU 19 12.642 -0.784 -1.952
147 HG LEU 19 HG LEU 19 10.655 -2.832 -0.943
148 1HD1 LEU 19 HD11 LEU 19 9.746 -1.341 -2.782
149 2HD1 LEU 19 HD12 LEU 19 9.844 -3.052 -3.198
150 3HD1 LEU 19 HD13 LEU 19 11.059 -1.925 -3.805
151 1HD2 LEU 19 HD21 LEU 19 13.232 -2.866 -2.483
152 2HD2 LEU 19 HD22 LEU 19 12.031 -4.119 -2.797
153 3HD2 LEU 19 HD23 LEU 19 12.701 -3.924 -1.177
154 H GLY 20 HN GLY 20 12.038 0.995 1.135
155 1HA GLY 20 HA2 GLY 20 14.619 2.202 0.491
156 2HA GLY 20 HA1 GLY 20 13.311 2.974 1.390
157 H LYS 21 HN LYS 21 13.745 0.016 2.826
158 HA LYS 21 HA LYS 21 16.132 0.234 4.338
159 1HB LYS 21 HB2 LYS 21 14.183 2.255 4.873
160 2HB LYS 21 HB1 LYS 21 14.264 1.203 6.286
161 1HG LYS 21 HG2 LYS 21 16.754 1.441 6.264
162 2HG LYS 21 HG1 LYS 21 16.595 2.601 4.944
163 1HD LYS 21 HD2 LYS 21 14.809 3.617 6.744
164 2HD LYS 21 HD1 LYS 21 16.026 2.937 7.824
165 1HE LYS 21 HE2 LYS 21 16.789 5.157 7.386
166 2HE LYS 21 HE1 LYS 21 17.757 4.143 6.297
167 1HZ LYS 21 HZ1 LYS 21 16.757 5.968 5.074
168 2HZ LYS 21 HZ2 LYS 21 15.208 5.510 5.604
169 3HZ LYS 21 HZ3 LYS 21 16.091 4.493 4.567
170 1HN NH2 22 1HN NH2 22 16.267 -1.668 5.615
171 2HN NH2 22 2HN NH2 22 14.941 -2.652 6.009
Start of MODEL 4
1 1H SER 1 1H SER 1 -7.030 -10.331 -7.446
2 2H SER 1 2H SER 1 -5.784 -10.333 -6.291
3 3H SER 1 3H SER 1 -6.480 -8.867 -6.791
4 HA SER 1 HA SER 1 -8.271 -10.869 -5.621
5 1HB SER 1 HB2 SER 1 -7.474 -9.803 -3.369
6 2HB SER 1 HB1 SER 1 -6.503 -11.087 -4.083
7 HG SER 1 HG SER 1 -5.132 -9.414 -3.596
8 H GLY 2 HN GLY 2 -7.007 -7.523 -5.286
9 1HA GLY 2 HA2 GLY 2 -9.007 -6.013 -6.345
10 2HA GLY 2 HA1 GLY 2 -9.727 -6.514 -4.814
11 H SER 3 HN SER 3 -8.006 -6.259 -2.907
12 HA SER 3 HA SER 3 -6.717 -4.761 -1.606
13 1HB SER 3 HB2 SER 3 -5.672 -4.825 -4.226
14 2HB SER 3 HB1 SER 3 -5.744 -3.119 -3.790
15 HG SER 3 HG SER 3 -4.025 -4.985 -2.974
16 H LEU 4 HN LEU 4 -8.165 -3.428 -0.534
17 HA LEU 4 HA LEU 4 -9.693 -1.376 -2.019
18 1HB LEU 4 HB2 LEU 4 -9.897 -2.920 0.401
19 2HB LEU 4 HB1 LEU 4 -10.020 -1.206 0.805
20 HG LEU 4 HG LEU 4 -11.717 -0.990 -1.065
21 1HD1 LEU 4 HD11 LEU 4 -10.944 -3.170 -2.149
22 2HD1 LEU 4 HD12 LEU 4 -12.690 -2.963 -2.007
23 3HD1 LEU 4 HD13 LEU 4 -11.829 -4.008 -0.876
24 1HD2 LEU 4 HD21 LEU 4 -12.023 -2.377 1.521
25 2HD2 LEU 4 HD22 LEU 4 -13.346 -2.662 0.390
26 3HD2 LEU 4 HD23 LEU 4 -12.929 -1.015 0.863
27 H SER 5 HN SER 5 -9.790 0.840 -0.719
28 HA SER 5 HA SER 5 -7.464 2.307 -1.047
29 1HB SER 5 HB2 SER 5 -8.637 3.488 1.142
30 2HB SER 5 HB1 SER 5 -9.197 3.690 -0.516
31 HG SER 5 HG SER 5 -10.801 2.319 -0.154
32 H THR 6 HN THR 6 -8.494 1.631 2.294
33 HA THR 6 HA THR 6 -6.096 1.987 3.614
34 HB THR 6 HB THR 6 -7.167 -0.189 4.906
35 HG1 THR 6 HG1 THR 6 -8.673 -0.334 3.115
36 1HG2 THR 6 HG21 THR 6 -6.860 2.268 5.610
37 2HG2 THR 6 HG22 THR 6 -8.224 1.396 6.311
38 3HG2 THR 6 HG23 THR 6 -8.488 2.522 4.979
39 H PHE 7 HN PHE 7 -7.194 -1.170 2.302
40 HA PHE 7 HA PHE 7 -4.871 -2.671 2.859
41 1HB PHE 7 HB2 PHE 7 -7.060 -2.719 0.803
42 2HB PHE 7 HB1 PHE 7 -5.723 -3.860 0.650
43 HD1 PHE 7 HD1 PHE 7 -7.537 -2.458 3.620
44 HD2 PHE 7 HD2 PHE 7 -6.402 -5.961 1.409
45 HE1 PHE 7 HE1 PHE 7 -8.558 -3.892 5.367
46 HE2 PHE 7 HE2 PHE 7 -7.423 -7.394 3.156
47 HZ PHE 7 HZ PHE 7 -8.501 -6.361 5.135
48 H PHE 8 HN PHE 8 -5.665 -1.326 -0.372
49 HA PHE 8 HA PHE 8 -3.221 -1.679 -1.643
50 1HB PHE 8 HB2 PHE 8 -5.152 -0.818 -2.788
51 2HB PHE 8 HB1 PHE 8 -5.227 0.589 -1.726
52 HD1 PHE 8 HD1 PHE 8 -4.744 2.501 -2.981
53 HD2 PHE 8 HD2 PHE 8 -2.376 -1.038 -3.539
54 HE1 PHE 8 HE1 PHE 8 -3.248 3.744 -4.520
55 HE2 PHE 8 HE2 PHE 8 -0.879 0.205 -5.077
56 HZ PHE 8 HZ PHE 8 -1.316 2.596 -5.568
57 H ARG 9 HN ARG 9 -4.154 1.305 0.124
58 HA ARG 9 HA ARG 9 -1.712 2.676 -0.003
59 1HB ARG 9 HB2 ARG 9 -4.185 2.862 1.300
60 2HB ARG 9 HB1 ARG 9 -3.000 2.861 2.608
61 1HG ARG 9 HG2 ARG 9 -2.051 4.526 0.457
62 2HG ARG 9 HG1 ARG 9 -3.681 5.022 0.909
63 1HD ARG 9 HD2 ARG 9 -3.053 5.438 3.164
64 2HD ARG 9 HD1 ARG 9 -1.538 4.529 2.991
65 HE ARG 9 HE ARG 9 -1.710 6.713 1.085
66 1HH1 ARG 9 HH21 ARG 9 0.575 5.564 2.931
67 2HH1 ARG 9 HH22 ARG 9 0.968 7.002 3.815
68 1HH2 ARG 9 HH11 ARG 9 -1.886 8.705 2.830
69 2HH2 ARG 9 HH12 ARG 9 -0.425 8.780 3.757
70 H LEU 10 HN LEU 10 -2.769 0.518 2.667
71 HA LEU 10 HA LEU 10 -0.429 0.514 4.205
72 1HB LEU 10 HB2 LEU 10 -2.820 -1.060 3.834
73 2HB LEU 10 HB1 LEU 10 -1.452 -2.131 4.142
74 HG LEU 10 HG LEU 10 -2.469 -1.471 6.266
75 1HD1 LEU 10 HD11 LEU 10 -0.486 -0.861 7.373
76 2HD1 LEU 10 HD12 LEU 10 0.051 0.167 6.044
77 3HD1 LEU 10 HD13 LEU 10 0.107 -1.588 5.879
78 1HD2 LEU 10 HD21 LEU 10 -3.536 0.562 6.027
79 2HD2 LEU 10 HD22 LEU 10 -2.263 1.229 5.005
80 3HD2 LEU 10 HD23 LEU 10 -2.032 1.130 6.751
81 H PHE 11 HN PHE 11 -1.230 -1.811 1.588
82 HA PHE 11 HA PHE 11 1.188 -3.255 1.554
83 1HB PHE 11 HB2 PHE 11 -1.159 -3.203 0.161
84 2HB PHE 11 HB1 PHE 11 -0.042 -2.587 -1.058
85 HD1 PHE 11 HD1 PHE 11 0.328 -5.119 1.687
86 HD2 PHE 11 HD2 PHE 11 0.549 -4.305 -2.525
87 HE1 PHE 11 HE1 PHE 11 1.164 -7.420 1.286
88 HE2 PHE 11 HE2 PHE 11 1.384 -6.605 -2.926
89 HZ PHE 11 HZ PHE 11 1.691 -8.162 -1.020
90 H ASN 12 HN ASN 12 0.351 -0.418 -0.483
91 HA ASN 12 HA ASN 12 2.879 -0.101 -1.728
92 1HB ASN 12 HB2 ASN 12 0.829 1.027 -2.432
93 2HB ASN 12 HB1 ASN 12 0.756 1.906 -0.904
94 1HD2 ASN 12 HD21 ASN 12 3.778 1.314 -2.691
95 2HD2 ASN 12 HD22 ASN 12 4.063 2.942 -3.081
96 H ARG 13 HN ARG 13 1.647 1.253 1.338
97 HA ARG 13 HA ARG 13 3.866 2.918 1.969
98 1HB ARG 13 HB2 ARG 13 1.434 2.202 3.059
99 2HB ARG 13 HB1 ARG 13 2.577 1.506 4.209
100 1HG ARG 13 HG2 ARG 13 3.409 4.169 3.406
101 2HG ARG 13 HG1 ARG 13 1.774 4.192 4.068
102 1HD ARG 13 HD2 ARG 13 4.106 2.815 5.443
103 2HD ARG 13 HD1 ARG 13 3.566 4.462 5.826
104 HE ARG 13 HE ARG 13 2.193 2.036 6.599
105 1HH1 ARG 13 HH11 ARG 13 2.148 5.390 6.654
106 2HH1 ARG 13 HH12 ARG 13 0.438 5.541 6.888
107 1HH2 ARG 13 HH21 ARG 13 -0.191 2.165 6.411
108 2HH2 ARG 13 HH22 ARG 13 -0.886 3.714 6.751
109 H SER 14 HN SER 14 3.203 -0.442 3.045
110 HA SER 14 HA SER 14 5.661 -0.850 4.425
111 1HB SER 14 HB2 SER 14 3.318 -2.250 3.768
112 2HB SER 14 HB1 SER 14 4.623 -3.215 3.082
113 HG SER 14 HG SER 14 4.657 -2.182 5.723
114 H PHE 15 HN PHE 15 4.761 -1.630 1.047
115 HA PHE 15 HA PHE 15 7.237 -2.785 0.252
116 1HB PHE 15 HB2 PHE 15 4.821 -2.437 -0.851
117 2HB PHE 15 HB1 PHE 15 5.650 -1.088 -1.629
118 HD1 PHE 15 HD1 PHE 15 6.390 -1.620 -3.768
119 HD2 PHE 15 HD2 PHE 15 6.619 -4.591 -0.674
120 HE1 PHE 15 HE1 PHE 15 7.463 -3.193 -5.357
121 HE2 PHE 15 HE2 PHE 15 7.692 -6.164 -2.264
122 HZ PHE 15 HZ PHE 15 8.113 -5.464 -4.606
123 H THR 16 HN THR 16 6.096 0.597 -0.122
124 HA THR 16 HA THR 16 8.477 1.652 -1.267
125 HB THR 16 HB THR 16 6.277 2.809 0.465
126 HG1 THR 16 HG1 THR 16 5.316 2.680 -1.379
127 1HG2 THR 16 HG21 THR 16 8.198 4.261 0.726
128 2HG2 THR 16 HG22 THR 16 7.075 5.029 -0.396
129 3HG2 THR 16 HG23 THR 16 8.518 4.219 -1.008
130 H GLN 17 HN GLN 17 7.419 1.735 2.164
131 HA GLN 17 HA GLN 17 9.713 2.925 3.285
132 1HB GLN 17 HB2 GLN 17 7.502 2.359 4.363
133 2HB GLN 17 HB1 GLN 17 8.037 0.681 4.452
134 1HG GLN 17 HG2 GLN 17 9.686 2.933 5.603
135 2HG GLN 17 HG1 GLN 17 8.428 2.130 6.542
136 1HE2 GLN 17 HE21 GLN 17 11.714 1.930 5.618
137 2HE2 GLN 17 HE22 GLN 17 11.997 0.329 6.107
138 H ALA 18 HN ALA 18 9.065 -0.563 2.771
139 HA ALA 18 HA ALA 18 11.569 -1.506 3.793
140 1HB ALA 18 HB1 ALA 18 9.735 -3.009 3.537
141 2HB ALA 18 HB2 ALA 18 10.905 -3.511 2.317
142 3HB ALA 18 HB3 ALA 18 9.501 -2.552 1.849
143 H LEU 19 HN LEU 19 10.558 -1.394 0.352
144 HA LEU 19 HA LEU 19 13.118 -1.777 -0.779
145 1HB LEU 19 HB2 LEU 19 10.512 -0.548 -1.600
146 2HB LEU 19 HB1 LEU 19 11.903 -0.341 -2.667
147 HG LEU 19 HG LEU 19 10.480 -2.392 -3.139
148 1HD1 LEU 19 HD11 LEU 19 12.483 -3.895 -3.348
149 2HD1 LEU 19 HD12 LEU 19 13.401 -2.728 -2.396
150 3HD1 LEU 19 HD13 LEU 19 12.757 -2.268 -3.972
151 1HD2 LEU 19 HD21 LEU 19 10.831 -4.320 -1.617
152 2HD2 LEU 19 HD22 LEU 19 10.014 -2.990 -0.794
153 3HD2 LEU 19 HD23 LEU 19 11.732 -3.276 -0.518
154 H GLY 20 HN GLY 20 11.827 0.996 0.837
155 1HA GLY 20 HA2 GLY 20 13.875 2.787 -0.365
156 2HA GLY 20 HA1 GLY 20 12.527 3.310 0.649
157 H LYS 21 HN LYS 21 13.741 0.598 2.123
158 HA LYS 21 HA LYS 21 14.990 0.338 4.114
159 1HB LYS 21 HB2 LYS 21 16.634 0.881 2.151
160 2HB LYS 21 HB1 LYS 21 16.804 2.444 2.951
161 1HG LYS 21 HG2 LYS 21 17.822 1.535 4.822
162 2HG LYS 21 HG1 LYS 21 17.040 -0.032 4.614
163 1HD LYS 21 HD2 LYS 21 18.731 -0.817 3.336
164 2HD LYS 21 HD1 LYS 21 18.775 0.652 2.362
165 1HE LYS 21 HE2 LYS 21 20.904 0.320 3.620
166 2HE LYS 21 HE1 LYS 21 20.068 1.794 4.147
167 1HZ LYS 21 HZ1 LYS 21 19.290 -0.692 5.451
168 2HZ LYS 21 HZ2 LYS 21 19.453 0.869 6.101
169 3HZ LYS 21 HZ3 LYS 21 20.828 -0.096 5.845
170 1HN NH2 22 1HN NH2 22 13.008 2.764 3.831
171 2HN NH2 22 2HN NH2 22 13.453 3.783 5.114
Start of MODEL 5
1 1H SER 1 1H SER 1 -16.168 5.318 -3.689
2 2H SER 1 2H SER 1 -16.288 4.455 -5.147
3 3H SER 1 3H SER 1 -15.447 5.931 -5.096
4 HA SER 1 HA SER 1 -14.178 3.626 -5.018
5 1HB SER 1 HB2 SER 1 -12.673 5.213 -3.351
6 2HB SER 1 HB1 SER 1 -12.774 5.418 -5.098
7 HG SER 1 HG SER 1 -13.293 7.283 -3.628
8 H GLY 2 HN GLY 2 -12.582 3.453 -2.699
9 1HA GLY 2 HA2 GLY 2 -12.732 2.943 -0.328
10 2HA GLY 2 HA1 GLY 2 -14.477 2.759 -0.512
11 H SER 3 HN SER 3 -12.091 1.343 -2.694
12 HA SER 3 HA SER 3 -13.077 -1.361 -1.863
13 1HB SER 3 HB2 SER 3 -11.816 -0.302 -4.412
14 2HB SER 3 HB1 SER 3 -12.302 -1.977 -4.164
15 HG SER 3 HG SER 3 -13.815 0.270 -4.659
16 H LEU 4 HN LEU 4 -11.598 -2.019 -0.280
17 HA LEU 4 HA LEU 4 -9.531 -2.731 0.617
18 1HB LEU 4 HB2 LEU 4 -9.236 -2.897 -2.379
19 2HB LEU 4 HB1 LEU 4 -7.890 -3.339 -1.327
20 HG LEU 4 HG LEU 4 -10.114 -4.599 -0.186
21 1HD1 LEU 4 HD11 LEU 4 -11.497 -5.367 -1.820
22 2HD1 LEU 4 HD12 LEU 4 -10.173 -5.596 -2.961
23 3HD1 LEU 4 HD13 LEU 4 -10.888 -3.998 -2.750
24 1HD2 LEU 4 HD21 LEU 4 -8.559 -6.248 -2.054
25 2HD2 LEU 4 HD22 LEU 4 -8.688 -6.361 -0.299
26 3HD2 LEU 4 HD23 LEU 4 -7.552 -5.226 -1.028
27 H SER 5 HN SER 5 -10.034 0.238 -0.282
28 HA SER 5 HA SER 5 -7.724 1.544 -1.127
29 1HB SER 5 HB2 SER 5 -9.466 2.993 -0.735
30 2HB SER 5 HB1 SER 5 -10.013 2.105 0.685
31 HG SER 5 HG SER 5 -8.646 4.318 0.653
32 H THR 6 HN THR 6 -8.525 0.939 2.321
33 HA THR 6 HA THR 6 -6.141 1.755 3.513
34 HB THR 6 HB THR 6 -8.017 -0.553 4.085
35 HG1 THR 6 HG1 THR 6 -8.482 1.874 4.196
36 1HG2 THR 6 HG21 THR 6 -6.462 -1.299 5.541
37 2HG2 THR 6 HG22 THR 6 -6.803 0.156 6.478
38 3HG2 THR 6 HG23 THR 6 -5.465 0.139 5.329
39 H PHE 7 HN PHE 7 -6.841 -1.625 2.519
40 HA PHE 7 HA PHE 7 -4.302 -2.734 2.956
41 1HB PHE 7 HB2 PHE 7 -6.726 -3.491 1.885
42 2HB PHE 7 HB1 PHE 7 -5.660 -3.590 0.483
43 HD1 PHE 7 HD1 PHE 7 -3.168 -4.540 1.268
44 HD2 PHE 7 HD2 PHE 7 -6.971 -5.508 3.015
45 HE1 PHE 7 HE1 PHE 7 -2.231 -6.669 2.128
46 HE2 PHE 7 HE2 PHE 7 -6.035 -7.637 3.874
47 HZ PHE 7 HZ PHE 7 -3.665 -8.218 3.431
48 H PHE 8 HN PHE 8 -5.510 -1.214 -0.059
49 HA PHE 8 HA PHE 8 -3.194 -1.492 -1.644
50 1HB PHE 8 HB2 PHE 8 -5.248 -0.710 -2.583
51 2HB PHE 8 HB1 PHE 8 -5.351 0.619 -1.428
52 HD1 PHE 8 HD1 PHE 8 -4.602 2.737 -2.066
53 HD2 PHE 8 HD2 PHE 8 -3.075 -0.732 -4.087
54 HE1 PHE 8 HE1 PHE 8 -3.353 4.199 -3.632
55 HE2 PHE 8 HE2 PHE 8 -1.826 0.731 -5.653
56 HZ PHE 8 HZ PHE 8 -1.965 3.196 -5.425
57 H ARG 9 HN ARG 9 -4.104 1.433 0.232
58 HA ARG 9 HA ARG 9 -1.712 2.877 -0.065
59 1HB ARG 9 HB2 ARG 9 -4.094 3.144 1.252
60 2HB ARG 9 HB1 ARG 9 -2.986 2.931 2.608
61 1HG ARG 9 HG2 ARG 9 -2.151 4.802 0.439
62 2HG ARG 9 HG1 ARG 9 -3.433 5.339 1.525
63 1HD ARG 9 HD2 ARG 9 -1.951 4.772 3.474
64 2HD ARG 9 HD1 ARG 9 -0.648 4.421 2.321
65 HE ARG 9 HE ARG 9 -2.019 7.081 2.324
66 1HH1 ARG 9 HH21 ARG 9 0.463 5.541 0.839
67 2HH1 ARG 9 HH22 ARG 9 1.718 6.628 1.334
68 1HH2 ARG 9 HH11 ARG 9 -0.269 8.295 3.636
69 2HH2 ARG 9 HH12 ARG 9 1.303 8.188 2.917
70 H LEU 10 HN LEU 10 -2.546 0.580 2.561
71 HA LEU 10 HA LEU 10 -0.114 0.702 3.999
72 1HB LEU 10 HB2 LEU 10 -2.417 -0.498 4.388
73 2HB LEU 10 HB1 LEU 10 -1.643 -1.855 3.568
74 HG LEU 10 HG LEU 10 0.030 -0.596 5.638
75 1HD1 LEU 10 HD11 LEU 10 -1.872 -2.366 6.938
76 2HD1 LEU 10 HD12 LEU 10 -2.681 -0.947 6.273
77 3HD1 LEU 10 HD13 LEU 10 -1.350 -0.750 7.415
78 1HD2 LEU 10 HD21 LEU 10 0.787 -2.768 5.897
79 2HD2 LEU 10 HD22 LEU 10 0.157 -2.878 4.254
80 3HD2 LEU 10 HD23 LEU 10 -0.806 -3.468 5.609
81 H PHE 11 HN PHE 11 -1.025 -1.441 1.282
82 HA PHE 11 HA PHE 11 1.395 -2.941 1.160
83 1HB PHE 11 HB2 PHE 11 -0.901 -3.234 0.003
84 2HB PHE 11 HB1 PHE 11 -0.286 -2.110 -1.210
85 HD1 PHE 11 HD1 PHE 11 1.397 -4.840 0.731
86 HD2 PHE 11 HD2 PHE 11 0.259 -3.336 -3.129
87 HE1 PHE 11 HE1 PHE 11 2.640 -6.689 -0.358
88 HE2 PHE 11 HE2 PHE 11 1.502 -5.185 -4.216
89 HZ PHE 11 HZ PHE 11 2.693 -6.862 -2.830
90 H ASN 12 HN ASN 12 0.428 -0.007 -0.663
91 HA ASN 12 HA ASN 12 2.847 0.334 -2.119
92 1HB ASN 12 HB2 ASN 12 0.388 1.568 -1.851
93 2HB ASN 12 HB1 ASN 12 1.494 2.785 -1.213
94 1HD2 ASN 12 HD21 ASN 12 2.411 4.113 -2.779
95 2HD2 ASN 12 HD22 ASN 12 2.600 3.706 -4.416
96 H ARG 13 HN ARG 13 1.834 2.068 0.859
97 HA ARG 13 HA ARG 13 4.319 3.340 1.375
98 1HB ARG 13 HB2 ARG 13 1.836 3.382 2.419
99 2HB ARG 13 HB1 ARG 13 2.629 2.384 3.639
100 1HG ARG 13 HG2 ARG 13 4.314 4.094 4.019
101 2HG ARG 13 HG1 ARG 13 3.672 5.070 2.697
102 1HD ARG 13 HD2 ARG 13 2.832 5.958 4.822
103 2HD ARG 13 HD1 ARG 13 1.483 5.200 3.953
104 HE ARG 13 HE ARG 13 2.828 3.251 5.591
105 1HH1 ARG 13 HH11 ARG 13 -0.043 4.865 5.161
106 2HH1 ARG 13 HH12 ARG 13 -0.535 4.830 6.821
107 1HH2 ARG 13 HH21 ARG 13 2.519 3.664 7.977
108 2HH2 ARG 13 HH22 ARG 13 0.916 4.150 8.416
109 H SER 14 HN SER 14 3.055 0.221 2.603
110 HA SER 14 HA SER 14 5.237 -0.494 4.259
111 1HB SER 14 HB2 SER 14 4.354 -2.780 3.915
112 2HB SER 14 HB1 SER 14 3.040 -1.626 4.128
113 HG SER 14 HG SER 14 3.339 -3.268 2.152
114 H PHE 15 HN PHE 15 4.692 -1.303 0.807
115 HA PHE 15 HA PHE 15 7.137 -2.705 0.383
116 1HB PHE 15 HB2 PHE 15 4.882 -1.705 -1.077
117 2HB PHE 15 HB1 PHE 15 6.346 -1.263 -1.956
118 HD1 PHE 15 HD1 PHE 15 7.688 -2.910 -3.053
119 HD2 PHE 15 HD2 PHE 15 4.478 -4.108 -0.463
120 HE1 PHE 15 HE1 PHE 15 7.919 -5.247 -3.850
121 HE2 PHE 15 HE2 PHE 15 4.709 -6.446 -1.259
122 HZ PHE 15 HZ PHE 15 6.429 -7.015 -2.952
123 H THR 16 HN THR 16 6.337 0.729 -0.288
124 HA THR 16 HA THR 16 8.885 1.557 -1.203
125 HB THR 16 HB THR 16 6.855 3.083 0.461
126 HG1 THR 16 HG1 THR 16 6.914 2.181 -2.172
127 1HG2 THR 16 HG21 THR 16 9.327 3.909 -0.392
128 2HG2 THR 16 HG22 THR 16 7.956 4.983 -0.108
129 3HG2 THR 16 HG23 THR 16 8.300 4.405 -1.739
130 H GLN 17 HN GLN 17 7.568 1.613 2.129
131 HA GLN 17 HA GLN 17 9.931 2.656 3.376
132 1HB GLN 17 HB2 GLN 17 7.792 2.723 4.473
133 2HB GLN 17 HB1 GLN 17 7.590 0.977 4.316
134 1HG GLN 17 HG2 GLN 17 10.056 1.379 5.649
135 2HG GLN 17 HG1 GLN 17 8.889 2.453 6.422
136 1HE2 GLN 17 HE21 GLN 17 10.064 -0.124 7.470
137 2HE2 GLN 17 HE22 GLN 17 8.729 -1.117 7.806
138 H ALA 18 HN ALA 18 8.743 -0.706 3.015
139 HA ALA 18 HA ALA 18 10.829 -2.049 4.362
140 1HB ALA 18 HB1 ALA 18 9.718 -3.181 1.832
141 2HB ALA 18 HB2 ALA 18 8.564 -2.738 3.090
142 3HB ALA 18 HB3 ALA 18 9.833 -3.916 3.430
143 H LEU 19 HN LEU 19 10.618 -1.180 0.891
144 HA LEU 19 HA LEU 19 13.102 -2.248 0.049
145 1HB LEU 19 HB2 LEU 19 11.037 -1.025 -1.124
146 2HB LEU 19 HB1 LEU 19 12.111 0.370 -1.013
147 HG LEU 19 HG LEU 19 12.426 -0.817 -3.154
148 1HD1 LEU 19 HD11 LEU 19 14.771 -1.225 -1.272
149 2HD1 LEU 19 HD12 LEU 19 14.346 0.315 -2.021
150 3HD1 LEU 19 HD13 LEU 19 14.851 -1.043 -3.025
151 1HD2 LEU 19 HD21 LEU 19 11.914 -3.087 -1.781
152 2HD2 LEU 19 HD22 LEU 19 13.676 -3.146 -1.784
153 3HD2 LEU 19 HD23 LEU 19 12.794 -3.080 -3.310
154 H GLY 20 HN GLY 20 12.370 1.059 1.224
155 1HA GLY 20 HA2 GLY 20 14.091 1.962 2.867
156 2HA GLY 20 HA1 GLY 20 15.305 1.403 1.713
157 H LYS 21 HN LYS 21 12.751 2.454 -0.127
158 HA LYS 21 HA LYS 21 14.006 4.603 -1.365
159 1HB LYS 21 HB2 LYS 21 11.180 3.761 -0.851
160 2HB LYS 21 HB1 LYS 21 11.446 5.341 -1.588
161 1HG LYS 21 HG2 LYS 21 12.622 4.388 -3.439
162 2HG LYS 21 HG1 LYS 21 12.744 2.820 -2.640
163 1HD LYS 21 HD2 LYS 21 10.806 2.210 -3.604
164 2HD LYS 21 HD1 LYS 21 9.986 3.490 -2.712
165 1HE LYS 21 HE2 LYS 21 11.434 4.636 -4.940
166 2HE LYS 21 HE1 LYS 21 10.342 3.357 -5.509
167 1HZ LYS 21 HZ1 LYS 21 8.514 4.398 -4.666
168 2HZ LYS 21 HZ2 LYS 21 9.451 5.768 -5.026
169 3HZ LYS 21 HZ3 LYS 21 9.376 5.182 -3.432
170 1HN NH2 22 1HN NH2 22 12.349 4.629 1.777
171 2HN NH2 22 2HN NH2 22 12.631 6.267 2.121
Start of MODEL 6
1 1H SER 1 1H SER 1 -13.554 1.041 -2.871
2 2H SER 1 2H SER 1 -13.098 2.317 -3.897
3 3H SER 1 3H SER 1 -11.912 1.399 -3.098
4 HA SER 1 HA SER 1 -13.633 0.594 -5.372
5 1HB SER 1 HB2 SER 1 -11.314 1.806 -5.411
6 2HB SER 1 HB1 SER 1 -10.672 0.238 -4.933
7 HG SER 1 HG SER 1 -10.686 0.272 -7.141
8 H GLY 2 HN GLY 2 -14.694 -0.909 -3.640
9 1HA GLY 2 HA2 GLY 2 -14.989 -3.230 -3.212
10 2HA GLY 2 HA1 GLY 2 -13.358 -3.522 -3.821
11 H SER 3 HN SER 3 -14.135 -1.126 -1.353
12 HA SER 3 HA SER 3 -13.246 -0.905 0.833
13 1HB SER 3 HB2 SER 3 -13.740 -3.878 0.965
14 2HB SER 3 HB1 SER 3 -14.013 -2.666 2.214
15 HG SER 3 HG SER 3 -15.970 -3.242 1.250
16 H LEU 4 HN LEU 4 -11.225 -1.337 -1.170
17 HA LEU 4 HA LEU 4 -9.273 -3.048 0.339
18 1HB LEU 4 HB2 LEU 4 -10.080 -2.830 -2.476
19 2HB LEU 4 HB1 LEU 4 -8.331 -2.763 -2.253
20 HG LEU 4 HG LEU 4 -9.914 -4.848 -0.787
21 1HD1 LEU 4 HD11 LEU 4 -10.179 -6.220 -2.615
22 2HD1 LEU 4 HD12 LEU 4 -8.783 -5.544 -3.455
23 3HD1 LEU 4 HD13 LEU 4 -10.314 -4.667 -3.439
24 1HD2 LEU 4 HD21 LEU 4 -7.331 -5.460 -2.069
25 2HD2 LEU 4 HD22 LEU 4 -7.857 -5.745 -0.410
26 3HD2 LEU 4 HD23 LEU 4 -7.252 -4.157 -0.882
27 H SER 5 HN SER 5 -10.073 0.113 -0.551
28 HA SER 5 HA SER 5 -7.781 1.462 -1.296
29 1HB SER 5 HB2 SER 5 -9.867 2.089 0.808
30 2HB SER 5 HB1 SER 5 -8.684 3.275 0.261
31 HG SER 5 HG SER 5 -9.474 2.850 -1.891
32 H THR 6 HN THR 6 -8.616 1.053 2.169
33 HA THR 6 HA THR 6 -6.234 1.817 3.351
34 HB THR 6 HB THR 6 -7.394 -0.691 4.404
35 HG1 THR 6 HG1 THR 6 -9.414 -0.083 4.362
36 1HG2 THR 6 HG21 THR 6 -5.992 1.080 5.618
37 2HG2 THR 6 HG22 THR 6 -7.466 0.552 6.429
38 3HG2 THR 6 HG23 THR 6 -7.434 2.093 5.572
39 H PHE 7 HN PHE 7 -6.969 -1.547 2.331
40 HA PHE 7 HA PHE 7 -4.485 -2.730 2.881
41 1HB PHE 7 HB2 PHE 7 -6.723 -3.131 0.943
42 2HB PHE 7 HB1 PHE 7 -5.244 -4.052 0.670
43 HD1 PHE 7 HD1 PHE 7 -4.376 -5.587 2.432
44 HD2 PHE 7 HD2 PHE 7 -8.165 -3.600 2.810
45 HE1 PHE 7 HE1 PHE 7 -5.024 -7.165 4.232
46 HE2 PHE 7 HE2 PHE 7 -8.813 -5.178 4.610
47 HZ PHE 7 HZ PHE 7 -7.242 -6.961 5.321
48 H PHE 8 HN PHE 8 -5.500 -1.232 -0.219
49 HA PHE 8 HA PHE 8 -3.062 -1.517 -1.619
50 1HB PHE 8 HB2 PHE 8 -5.472 0.218 -1.678
51 2HB PHE 8 HB1 PHE 8 -4.070 0.824 -2.560
52 HD1 PHE 8 HD1 PHE 8 -3.536 -0.031 -4.688
53 HD2 PHE 8 HD2 PHE 8 -6.200 -2.221 -2.126
54 HE1 PHE 8 HE1 PHE 8 -4.012 -1.614 -6.536
55 HE2 PHE 8 HE2 PHE 8 -6.675 -3.804 -3.975
56 HZ PHE 8 HZ PHE 8 -5.582 -3.501 -6.179
57 H ARG 9 HN ARG 9 -4.183 1.382 0.179
58 HA ARG 9 HA ARG 9 -1.884 2.964 -0.021
59 1HB ARG 9 HB2 ARG 9 -3.981 2.531 2.103
60 2HB ARG 9 HB1 ARG 9 -2.699 3.719 2.343
61 1HG ARG 9 HG2 ARG 9 -4.404 3.672 -0.154
62 2HG ARG 9 HG1 ARG 9 -4.861 4.591 1.281
63 1HD ARG 9 HD2 ARG 9 -3.393 6.239 0.763
64 2HD ARG 9 HD1 ARG 9 -2.072 5.069 0.575
65 HE ARG 9 HE ARG 9 -4.007 5.007 -1.620
66 1HH1 ARG 9 HH21 ARG 9 -1.083 4.358 -1.872
67 2HH1 ARG 9 HH22 ARG 9 -0.482 5.739 -2.727
68 1HH2 ARG 9 HH11 ARG 9 -3.269 7.693 -2.061
69 2HH2 ARG 9 HH12 ARG 9 -1.721 7.628 -2.833
70 H LEU 10 HN LEU 10 -2.609 0.620 2.601
71 HA LEU 10 HA LEU 10 -0.147 0.850 3.993
72 1HB LEU 10 HB2 LEU 10 -2.209 -0.280 4.782
73 2HB LEU 10 HB1 LEU 10 -1.959 -1.554 3.588
74 HG LEU 10 HG LEU 10 0.469 -1.556 4.801
75 1HD1 LEU 10 HD11 LEU 10 0.396 -0.379 6.722
76 2HD1 LEU 10 HD12 LEU 10 -0.742 -1.581 7.331
77 3HD1 LEU 10 HD13 LEU 10 -1.339 -0.112 6.558
78 1HD2 LEU 10 HD21 LEU 10 -0.164 -3.643 5.570
79 2HD2 LEU 10 HD22 LEU 10 -1.498 -3.336 4.458
80 3HD2 LEU 10 HD23 LEU 10 -1.710 -3.061 6.187
81 H PHE 11 HN PHE 11 -1.085 -1.475 1.431
82 HA PHE 11 HA PHE 11 1.310 -2.946 1.259
83 1HB PHE 11 HB2 PHE 11 -1.021 -2.281 -0.413
84 2HB PHE 11 HB1 PHE 11 0.413 -2.719 -1.344
85 HD1 PHE 11 HD1 PHE 11 -1.475 -3.841 1.704
86 HD2 PHE 11 HD2 PHE 11 0.813 -4.978 -1.750
87 HE1 PHE 11 HE1 PHE 11 -1.857 -6.232 2.239
88 HE2 PHE 11 HE2 PHE 11 0.430 -7.369 -1.215
89 HZ PHE 11 HZ PHE 11 -0.905 -7.996 0.779
90 H ASN 12 HN ASN 12 0.428 0.023 -0.553
91 HA ASN 12 HA ASN 12 2.903 0.313 -1.947
92 1HB ASN 12 HB2 ASN 12 0.423 1.652 -1.600
93 2HB ASN 12 HB1 ASN 12 1.687 2.840 -1.279
94 1HD2 ASN 12 HD21 ASN 12 1.419 3.978 -3.307
95 2HD2 ASN 12 HD22 ASN 12 1.827 3.273 -4.795
96 H ARG 13 HN ARG 13 1.777 1.951 1.043
97 HA ARG 13 HA ARG 13 4.140 3.378 1.639
98 1HB ARG 13 HB2 ARG 13 1.868 3.518 2.724
99 2HB ARG 13 HB1 ARG 13 2.242 2.021 3.580
100 1HG ARG 13 HG2 ARG 13 4.481 3.504 4.104
101 2HG ARG 13 HG1 ARG 13 3.242 4.759 4.053
102 1HD ARG 13 HD2 ARG 13 2.112 3.910 5.896
103 2HD ARG 13 HD1 ARG 13 2.655 2.247 5.590
104 HE ARG 13 HE ARG 13 4.948 3.009 6.313
105 1HH1 ARG 13 HH11 ARG 13 2.185 3.767 7.997
106 2HH1 ARG 13 HH12 ARG 13 2.889 5.014 8.972
107 1HH2 ARG 13 HH21 ARG 13 5.863 5.092 7.191
108 2HH2 ARG 13 HH22 ARG 13 4.972 5.763 8.516
109 H SER 14 HN SER 14 3.167 0.225 3.059
110 HA SER 14 HA SER 14 5.564 -0.372 4.405
111 1HB SER 14 HB2 SER 14 3.675 -1.740 4.778
112 2HB SER 14 HB1 SER 14 3.408 -1.993 3.056
113 HG SER 14 HG SER 14 5.287 -3.158 4.788
114 H PHE 15 HN PHE 15 4.664 -1.192 1.036
115 HA PHE 15 HA PHE 15 6.991 -2.612 0.296
116 1HB PHE 15 HB2 PHE 15 4.807 -1.084 -0.980
117 2HB PHE 15 HB1 PHE 15 6.262 -1.235 -1.965
118 HD1 PHE 15 HD1 PHE 15 4.944 -3.630 0.572
119 HD2 PHE 15 HD2 PHE 15 5.650 -2.847 -3.592
120 HE1 PHE 15 HE1 PHE 15 4.337 -5.972 0.029
121 HE2 PHE 15 HE2 PHE 15 5.043 -5.189 -4.135
122 HZ PHE 15 HZ PHE 15 4.387 -6.752 -2.324
123 H THR 16 HN THR 16 6.344 0.893 -0.143
124 HA THR 16 HA THR 16 8.911 1.601 -1.140
125 HB THR 16 HB THR 16 8.155 3.869 -0.046
126 HG1 THR 16 HG1 THR 16 6.706 3.153 1.422
127 1HG2 THR 16 HG21 THR 16 6.118 3.791 -1.771
128 2HG2 THR 16 HG22 THR 16 6.909 2.291 -2.251
129 3HG2 THR 16 HG23 THR 16 7.793 3.815 -2.322
130 H GLN 17 HN GLN 17 7.692 1.404 2.206
131 HA GLN 17 HA GLN 17 10.043 2.465 3.478
132 1HB GLN 17 HB2 GLN 17 7.563 0.996 4.171
133 2HB GLN 17 HB1 GLN 17 8.888 0.818 5.321
134 1HG GLN 17 HG2 GLN 17 8.995 3.499 4.836
135 2HG GLN 17 HG1 GLN 17 7.264 3.202 4.673
136 1HE2 GLN 17 HE21 GLN 17 8.154 4.724 6.865
137 2HE2 GLN 17 HE22 GLN 17 7.978 3.820 8.292
138 H ALA 18 HN ALA 18 8.945 -0.924 3.032
139 HA ALA 18 HA ALA 18 11.229 -2.196 4.142
140 1HB ALA 18 HB1 ALA 18 9.887 -3.427 1.794
141 2HB ALA 18 HB2 ALA 18 8.827 -2.936 3.115
142 3HB ALA 18 HB3 ALA 18 10.136 -4.080 3.413
143 H LEU 19 HN LEU 19 10.512 -1.510 0.692
144 HA LEU 19 HA LEU 19 12.850 -2.452 -0.503
145 1HB LEU 19 HB2 LEU 19 10.672 -0.704 -1.084
146 2HB LEU 19 HB1 LEU 19 12.149 0.096 -1.625
147 HG LEU 19 HG LEU 19 12.686 -2.340 -2.569
148 1HD1 LEU 19 HD11 LEU 19 9.682 -2.234 -2.860
149 2HD1 LEU 19 HD12 LEU 19 10.452 -3.123 -1.545
150 3HD1 LEU 19 HD13 LEU 19 10.769 -3.575 -3.221
151 1HD2 LEU 19 HD21 LEU 19 10.836 -0.292 -3.827
152 2HD2 LEU 19 HD22 LEU 19 11.609 -1.600 -4.722
153 3HD2 LEU 19 HD23 LEU 19 12.594 -0.351 -3.958
154 H GLY 20 HN GLY 20 12.375 0.613 1.240
155 1HA GLY 20 HA2 GLY 20 15.111 1.510 0.669
156 2HA GLY 20 HA1 GLY 20 13.944 2.336 1.703
157 H LYS 21 HN LYS 21 13.902 -0.835 2.680
158 HA LYS 21 HA LYS 21 16.336 -0.892 4.294
159 1HB LYS 21 HB2 LYS 21 14.387 0.801 5.170
160 2HB LYS 21 HB1 LYS 21 13.914 -0.687 5.989
161 1HG LYS 21 HG2 LYS 21 16.587 0.726 6.146
162 2HG LYS 21 HG1 LYS 21 15.436 0.459 7.456
163 1HD LYS 21 HD2 LYS 21 15.767 -2.081 6.823
164 2HD LYS 21 HD1 LYS 21 17.281 -1.498 6.130
165 1HE LYS 21 HE2 LYS 21 17.017 -0.266 8.686
166 2HE LYS 21 HE1 LYS 21 16.686 -1.997 8.895
167 1HZ LYS 21 HZ1 LYS 21 19.064 -1.582 8.961
168 2HZ LYS 21 HZ2 LYS 21 19.002 -0.825 7.442
169 3HZ LYS 21 HZ3 LYS 21 18.669 -2.486 7.582
170 1HN NH2 22 1HN NH2 22 16.329 -3.111 3.341
171 2HN NH2 22 2HN NH2 22 15.287 -4.304 3.949
Start of MODEL 7
1 1H SER 1 1H SER 1 -15.570 -8.914 1.048
2 2H SER 1 2H SER 1 -16.046 -8.182 -0.411
3 3H SER 1 3H SER 1 -16.495 -7.493 1.076
4 HA SER 1 HA SER 1 -14.088 -7.129 1.567
5 1HB SER 1 HB2 SER 1 -12.517 -7.714 -0.069
6 2HB SER 1 HB1 SER 1 -13.694 -9.014 -0.231
7 HG SER 1 HG SER 1 -13.145 -6.853 -1.901
8 H GLY 2 HN GLY 2 -14.681 -4.974 1.819
9 1HA GLY 2 HA2 GLY 2 -15.054 -3.402 -0.696
10 2HA GLY 2 HA1 GLY 2 -16.069 -3.107 0.715
11 H SER 3 HN SER 3 -12.716 -3.937 1.161
12 HA SER 3 HA SER 3 -12.129 -1.069 1.830
13 1HB SER 3 HB2 SER 3 -10.952 -1.908 3.792
14 2HB SER 3 HB1 SER 3 -12.575 -2.591 3.781
15 HG SER 3 HG SER 3 -11.775 -4.516 3.244
16 H LEU 4 HN LEU 4 -11.424 -1.806 -0.670
17 HA LEU 4 HA LEU 4 -8.827 -3.119 -0.831
18 1HB LEU 4 HB2 LEU 4 -10.542 -3.115 -2.623
19 2HB LEU 4 HB1 LEU 4 -10.364 -1.366 -2.778
20 HG LEU 4 HG LEU 4 -7.759 -2.543 -2.903
21 1HD1 LEU 4 HD11 LEU 4 -9.658 -3.657 -4.982
22 2HD1 LEU 4 HD12 LEU 4 -9.121 -4.583 -3.581
23 3HD1 LEU 4 HD13 LEU 4 -7.947 -4.032 -4.776
24 1HD2 LEU 4 HD21 LEU 4 -9.587 -0.907 -4.608
25 2HD2 LEU 4 HD22 LEU 4 -8.191 -1.647 -5.392
26 3HD2 LEU 4 HD23 LEU 4 -7.959 -0.542 -4.037
27 H SER 5 HN SER 5 -9.973 0.212 -0.569
28 HA SER 5 HA SER 5 -7.622 1.602 -1.358
29 1HB SER 5 HB2 SER 5 -9.598 2.846 -1.040
30 2HB SER 5 HB1 SER 5 -9.923 2.102 0.522
31 HG SER 5 HG SER 5 -9.024 4.333 0.471
32 H THR 6 HN THR 6 -8.659 1.099 2.037
33 HA THR 6 HA THR 6 -6.354 1.791 3.387
34 HB THR 6 HB THR 6 -7.095 0.006 5.030
35 HG1 THR 6 HG1 THR 6 -8.541 -1.424 4.417
36 1HG2 THR 6 HG21 THR 6 -9.680 1.096 4.440
37 2HG2 THR 6 HG22 THR 6 -8.458 2.318 4.091
38 3HG2 THR 6 HG23 THR 6 -8.543 1.588 5.694
39 H PHE 7 HN PHE 7 -7.026 -1.572 2.319
40 HA PHE 7 HA PHE 7 -4.536 -2.717 2.918
41 1HB PHE 7 HB2 PHE 7 -6.867 -3.231 1.257
42 2HB PHE 7 HB1 PHE 7 -5.400 -3.842 0.491
43 HD1 PHE 7 HD1 PHE 7 -5.693 -6.194 0.822
44 HD2 PHE 7 HD2 PHE 7 -5.974 -3.486 4.145
45 HE1 PHE 7 HE1 PHE 7 -5.672 -8.116 2.390
46 HE2 PHE 7 HE2 PHE 7 -5.953 -5.408 5.713
47 HZ PHE 7 HZ PHE 7 -5.801 -7.723 4.835
48 H PHE 8 HN PHE 8 -5.517 -1.169 -0.165
49 HA PHE 8 HA PHE 8 -3.093 -1.471 -1.582
50 1HB PHE 8 HB2 PHE 8 -5.334 -0.622 -2.380
51 2HB PHE 8 HB1 PHE 8 -4.966 0.917 -1.599
52 HD1 PHE 8 HD1 PHE 8 -4.671 2.403 -3.419
53 HD2 PHE 8 HD2 PHE 8 -2.639 -1.381 -3.396
54 HE1 PHE 8 HE1 PHE 8 -3.356 3.098 -5.403
55 HE2 PHE 8 HE2 PHE 8 -1.322 -0.686 -5.380
56 HZ PHE 8 HZ PHE 8 -1.681 1.553 -6.384
57 H ARG 9 HN ARG 9 -4.124 1.420 0.286
58 HA ARG 9 HA ARG 9 -1.731 2.891 0.124
59 1HB ARG 9 HB2 ARG 9 -4.028 3.485 1.090
60 2HB ARG 9 HB1 ARG 9 -3.505 2.679 2.568
61 1HG ARG 9 HG2 ARG 9 -2.624 4.682 3.149
62 2HG ARG 9 HG1 ARG 9 -1.355 4.312 1.981
63 1HD ARG 9 HD2 ARG 9 -2.098 6.412 1.228
64 2HD ARG 9 HD1 ARG 9 -3.092 5.318 0.245
65 HE ARG 9 HE ARG 9 -4.675 5.551 2.408
66 1HH1 ARG 9 HH21 ARG 9 -2.680 8.062 2.610
67 2HH1 ARG 9 HH22 ARG 9 -3.800 9.304 2.160
68 1HH2 ARG 9 HH11 ARG 9 -6.203 7.088 1.005
69 2HH2 ARG 9 HH12 ARG 9 -5.794 8.753 1.252
70 H LEU 10 HN LEU 10 -2.696 0.664 2.771
71 HA LEU 10 HA LEU 10 -0.353 0.753 4.312
72 1HB LEU 10 HB2 LEU 10 -2.482 -0.406 4.858
73 2HB LEU 10 HB1 LEU 10 -2.109 -1.635 3.648
74 HG LEU 10 HG LEU 10 0.119 -1.218 5.479
75 1HD1 LEU 10 HD11 LEU 10 -2.591 -1.400 6.594
76 2HD1 LEU 10 HD12 LEU 10 -1.076 -0.973 7.389
77 3HD1 LEU 10 HD13 LEU 10 -1.512 -2.669 7.174
78 1HD2 LEU 10 HD21 LEU 10 0.367 -3.439 5.070
79 2HD2 LEU 10 HD22 LEU 10 -0.902 -3.216 3.867
80 3HD2 LEU 10 HD23 LEU 10 -1.311 -3.788 5.484
81 H PHE 11 HN PHE 11 -1.069 -1.494 1.608
82 HA PHE 11 HA PHE 11 1.407 -2.879 1.596
83 1HB PHE 11 HB2 PHE 11 -0.976 -2.696 0.089
84 2HB PHE 11 HB1 PHE 11 0.338 -2.440 -1.058
85 HD1 PHE 11 HD1 PHE 11 -1.131 -4.786 1.386
86 HD2 PHE 11 HD2 PHE 11 1.960 -4.183 -1.537
87 HE1 PHE 11 HE1 PHE 11 -0.630 -7.215 1.413
88 HE2 PHE 11 HE2 PHE 11 2.460 -6.612 -1.508
89 HZ PHE 11 HZ PHE 11 1.165 -8.128 -0.034
90 H ASN 12 HN ASN 12 0.435 -0.127 -0.498
91 HA ASN 12 HA ASN 12 2.866 0.329 -1.807
92 1HB ASN 12 HB2 ASN 12 0.395 1.523 -1.583
93 2HB ASN 12 HB1 ASN 12 1.454 2.745 -0.877
94 1HD2 ASN 12 HD21 ASN 12 3.581 3.085 -2.289
95 2HD2 ASN 12 HD22 ASN 12 3.332 3.168 -3.966
96 H ARG 13 HN ARG 13 1.813 1.766 1.307
97 HA ARG 13 HA ARG 13 4.172 3.248 1.857
98 1HB ARG 13 HB2 ARG 13 1.741 2.383 3.148
99 2HB ARG 13 HB1 ARG 13 3.088 2.238 4.278
100 1HG ARG 13 HG2 ARG 13 2.864 4.727 2.623
101 2HG ARG 13 HG1 ARG 13 1.801 4.537 4.018
102 1HD ARG 13 HD2 ARG 13 3.682 4.295 5.518
103 2HD ARG 13 HD1 ARG 13 4.818 4.215 4.156
104 HE ARG 13 HE ARG 13 3.192 6.645 4.811
105 1HH1 ARG 13 HH11 ARG 13 5.032 5.520 2.320
106 2HH1 ARG 13 HH12 ARG 13 6.242 6.758 2.381
107 1HH2 ARG 13 HH21 ARG 13 5.143 8.050 5.405
108 2HH2 ARG 13 HH22 ARG 13 6.306 8.190 4.128
109 H SER 14 HN SER 14 3.285 -0.038 2.997
110 HA SER 14 HA SER 14 5.746 -0.601 4.325
111 1HB SER 14 HB2 SER 14 4.833 -2.760 4.498
112 2HB SER 14 HB1 SER 14 3.397 -1.770 4.252
113 HG SER 14 HG SER 14 4.854 -3.224 2.292
114 H PHE 15 HN PHE 15 4.684 -1.333 0.986
115 HA PHE 15 HA PHE 15 6.983 -2.749 0.121
116 1HB PHE 15 HB2 PHE 15 4.665 -1.349 -0.989
117 2HB PHE 15 HB1 PHE 15 6.066 -1.276 -2.058
118 HD1 PHE 15 HD1 PHE 15 5.708 -2.867 -3.748
119 HD2 PHE 15 HD2 PHE 15 4.979 -3.928 0.350
120 HE1 PHE 15 HE1 PHE 15 5.317 -5.220 -4.426
121 HE2 PHE 15 HE2 PHE 15 4.588 -6.281 -0.328
122 HZ PHE 15 HZ PHE 15 4.756 -6.927 -2.716
123 H THR 16 HN THR 16 6.282 0.760 -0.075
124 HA THR 16 HA THR 16 8.794 1.489 -1.269
125 HB THR 16 HB THR 16 8.074 3.755 -0.594
126 HG1 THR 16 HG1 THR 16 7.095 3.826 1.250
127 1HG2 THR 16 HG21 THR 16 6.323 1.792 -1.906
128 2HG2 THR 16 HG22 THR 16 6.808 3.402 -2.439
129 3HG2 THR 16 HG23 THR 16 5.472 3.214 -1.303
130 H GLN 17 HN GLN 17 7.668 1.929 2.114
131 HA GLN 17 HA GLN 17 10.136 2.755 3.221
132 1HB GLN 17 HB2 GLN 17 7.518 1.935 4.048
133 2HB GLN 17 HB1 GLN 17 8.698 1.126 5.081
134 1HG GLN 17 HG2 GLN 17 8.941 4.069 4.477
135 2HG GLN 17 HG1 GLN 17 7.893 3.497 5.776
136 1HE2 GLN 17 HE21 GLN 17 11.294 3.435 4.642
137 2HE2 GLN 17 HE22 GLN 17 11.964 3.148 6.175
138 H ALA 18 HN ALA 18 8.950 -0.484 2.451
139 HA ALA 18 HA ALA 18 11.049 -1.898 3.894
140 1HB ALA 18 HB1 ALA 18 8.866 -2.886 3.421
141 2HB ALA 18 HB2 ALA 18 10.106 -3.820 2.585
142 3HB ALA 18 HB3 ALA 18 9.112 -2.671 1.689
143 H LEU 19 HN LEU 19 10.392 -1.719 0.370
144 HA LEU 19 HA LEU 19 12.884 -2.681 -0.524
145 1HB LEU 19 HB2 LEU 19 10.634 -2.044 -1.712
146 2HB LEU 19 HB1 LEU 19 11.395 -0.467 -1.920
147 HG LEU 19 HG LEU 19 13.023 -2.861 -2.629
148 1HD1 LEU 19 HD11 LEU 19 11.940 -2.688 -4.971
149 2HD1 LEU 19 HD12 LEU 19 10.591 -1.909 -4.145
150 3HD1 LEU 19 HD13 LEU 19 11.045 -3.560 -3.727
151 1HD2 LEU 19 HD21 LEU 19 13.640 -1.258 -4.504
152 2HD2 LEU 19 HD22 LEU 19 14.026 -0.688 -2.881
153 3HD2 LEU 19 HD23 LEU 19 12.606 -0.064 -3.720
154 H GLY 20 HN GLY 20 12.084 0.411 0.867
155 1HA GLY 20 HA2 GLY 20 14.634 1.606 -0.084
156 2HA GLY 20 HA1 GLY 20 13.340 2.475 0.746
157 H LYS 21 HN LYS 21 13.694 -0.376 2.405
158 HA LYS 21 HA LYS 21 16.089 0.032 3.931
159 1HB LYS 21 HB2 LYS 21 13.929 1.861 4.380
160 2HB LYS 21 HB1 LYS 21 14.108 0.856 5.819
161 1HG LYS 21 HG2 LYS 21 16.176 1.695 6.315
162 2HG LYS 21 HG1 LYS 21 16.631 1.851 4.618
163 1HD LYS 21 HD2 LYS 21 14.469 3.650 5.104
164 2HD LYS 21 HD1 LYS 21 15.665 3.887 6.379
165 1HE LYS 21 HE2 LYS 21 16.606 3.658 3.531
166 2HE LYS 21 HE1 LYS 21 15.944 5.199 4.112
167 1HZ LYS 21 HZ1 LYS 21 17.897 3.700 5.736
168 2HZ LYS 21 HZ2 LYS 21 17.524 5.357 5.775
169 3HZ LYS 21 HZ3 LYS 21 18.433 4.717 4.490
170 1HN NH2 22 1HN NH2 22 16.037 -2.335 3.909
171 2HN NH2 22 2HN NH2 22 14.926 -3.217 4.840
Start of MODEL 8
1 1H SER 1 1H SER 1 -10.693 0.364 -6.845
2 2H SER 1 2H SER 1 -9.300 0.423 -7.814
3 3H SER 1 3H SER 1 -10.813 0.101 -8.516
4 HA SER 1 HA SER 1 -9.727 2.510 -8.582
5 1HB SER 1 HB2 SER 1 -12.322 3.142 -8.524
6 2HB SER 1 HB1 SER 1 -11.658 2.139 -9.810
7 HG SER 1 HG SER 1 -13.479 1.525 -7.926
8 H GLY 2 HN GLY 2 -11.932 1.502 -5.941
9 1HA GLY 2 HA2 GLY 2 -10.576 3.225 -4.034
10 2HA GLY 2 HA1 GLY 2 -12.146 3.871 -4.513
11 H SER 3 HN SER 3 -11.214 0.463 -4.102
12 HA SER 3 HA SER 3 -13.409 0.223 -2.077
13 1HB SER 3 HB2 SER 3 -13.430 -1.011 -4.325
14 2HB SER 3 HB1 SER 3 -12.082 -1.959 -3.704
15 HG SER 3 HG SER 3 -13.673 -2.142 -1.788
16 H LEU 4 HN LEU 4 -10.149 -1.053 -2.852
17 HA LEU 4 HA LEU 4 -9.816 -1.865 -0.005
18 1HB LEU 4 HB2 LEU 4 -8.257 -2.368 -2.559
19 2HB LEU 4 HB1 LEU 4 -7.798 -3.014 -0.984
20 HG LEU 4 HG LEU 4 -10.603 -3.459 -1.913
21 1HD1 LEU 4 HD11 LEU 4 -8.312 -4.238 -3.453
22 2HD1 LEU 4 HD12 LEU 4 -10.008 -4.622 -3.745
23 3HD1 LEU 4 HD13 LEU 4 -9.024 -5.683 -2.736
24 1HD2 LEU 4 HD21 LEU 4 -9.808 -4.176 0.329
25 2HD2 LEU 4 HD22 LEU 4 -8.573 -5.171 -0.442
26 3HD2 LEU 4 HD23 LEU 4 -10.280 -5.554 -0.666
27 H SER 5 HN SER 5 -9.820 0.917 -0.337
28 HA SER 5 HA SER 5 -7.436 2.256 -0.924
29 1HB SER 5 HB2 SER 5 -9.231 3.610 -0.330
30 2HB SER 5 HB1 SER 5 -9.684 2.586 1.029
31 HG SER 5 HG SER 5 -7.296 4.114 0.920
32 H THR 6 HN THR 6 -8.300 1.534 2.467
33 HA THR 6 HA THR 6 -5.830 1.831 3.670
34 HB THR 6 HB THR 6 -7.944 -0.299 4.132
35 HG1 THR 6 HG1 THR 6 -8.931 1.557 4.485
36 1HG2 THR 6 HG21 THR 6 -6.656 0.501 6.536
37 2HG2 THR 6 HG22 THR 6 -5.389 0.094 5.377
38 3HG2 THR 6 HG23 THR 6 -6.633 -1.090 5.775
39 H PHE 7 HN PHE 7 -7.023 -1.370 2.562
40 HA PHE 7 HA PHE 7 -4.733 -2.897 2.864
41 1HB PHE 7 HB2 PHE 7 -6.854 -2.792 0.712
42 2HB PHE 7 HB1 PHE 7 -5.629 -4.061 0.739
43 HD1 PHE 7 HD1 PHE 7 -5.408 -5.521 2.798
44 HD2 PHE 7 HD2 PHE 7 -8.715 -2.847 2.193
45 HE1 PHE 7 HE1 PHE 7 -6.716 -6.749 4.510
46 HE2 PHE 7 HE2 PHE 7 -10.023 -4.076 3.905
47 HZ PHE 7 HZ PHE 7 -9.022 -6.027 5.064
48 H PHE 8 HN PHE 8 -5.537 -1.482 -0.326
49 HA PHE 8 HA PHE 8 -3.083 -1.787 -1.595
50 1HB PHE 8 HB2 PHE 8 -5.317 -0.827 -2.413
51 2HB PHE 8 HB1 PHE 8 -4.775 0.719 -1.760
52 HD1 PHE 8 HD1 PHE 8 -2.703 1.799 -2.647
53 HD2 PHE 8 HD2 PHE 8 -4.387 -1.725 -4.436
54 HE1 PHE 8 HE1 PHE 8 -1.355 2.192 -4.691
55 HE2 PHE 8 HE2 PHE 8 -3.040 -1.331 -6.480
56 HZ PHE 8 HZ PHE 8 -1.523 0.628 -6.608
57 H ARG 9 HN ARG 9 -4.068 1.105 0.291
58 HA ARG 9 HA ARG 9 -1.680 2.572 0.146
59 1HB ARG 9 HB2 ARG 9 -4.115 2.538 1.606
60 2HB ARG 9 HB1 ARG 9 -2.819 2.695 2.792
61 1HG ARG 9 HG2 ARG 9 -3.235 4.926 2.189
62 2HG ARG 9 HG1 ARG 9 -1.869 4.494 1.160
63 1HD ARG 9 HD2 ARG 9 -3.107 4.938 -0.681
64 2HD ARG 9 HD1 ARG 9 -4.312 3.738 -0.170
65 HE ARG 9 HE ARG 9 -5.394 5.512 1.174
66 1HH1 ARG 9 HH21 ARG 9 -2.918 7.309 1.221
67 2HH1 ARG 9 HH22 ARG 9 -3.414 8.580 0.156
68 1HH2 ARG 9 HH11 ARG 9 -6.058 6.783 -1.187
69 2HH2 ARG 9 HH12 ARG 9 -5.192 8.283 -1.208
70 H LEU 10 HN LEU 10 -2.583 0.296 2.773
71 HA LEU 10 HA LEU 10 -0.160 0.319 4.201
72 1HB LEU 10 HB2 LEU 10 -2.461 -1.508 3.771
73 2HB LEU 10 HB1 LEU 10 -1.018 -2.249 4.465
74 HG LEU 10 HG LEU 10 -2.361 0.251 5.535
75 1HD1 LEU 10 HD11 LEU 10 -3.554 -1.050 6.987
76 2HD1 LEU 10 HD12 LEU 10 -2.268 -2.250 7.124
77 3HD1 LEU 10 HD13 LEU 10 -3.352 -2.275 5.733
78 1HD2 LEU 10 HD21 LEU 10 0.250 -0.532 5.821
79 2HD2 LEU 10 HD22 LEU 10 -0.504 -1.334 7.198
80 3HD2 LEU 10 HD23 LEU 10 -0.636 0.415 7.016
81 H PHE 11 HN PHE 11 -1.083 -1.766 1.442
82 HA PHE 11 HA PHE 11 1.288 -3.331 1.323
83 1HB PHE 11 HB2 PHE 11 -1.108 -3.077 -0.031
84 2HB PHE 11 HB1 PHE 11 0.069 -2.584 -1.248
85 HD1 PHE 11 HD1 PHE 11 -0.919 -5.316 1.059
86 HD2 PHE 11 HD2 PHE 11 1.608 -4.153 -2.214
87 HE1 PHE 11 HE1 PHE 11 -0.300 -7.690 0.694
88 HE2 PHE 11 HE2 PHE 11 2.228 -6.526 -2.579
89 HZ PHE 11 HZ PHE 11 1.274 -8.295 -1.126
90 H ASN 12 HN ASN 12 0.466 -0.460 -0.672
91 HA ASN 12 HA ASN 12 2.991 -0.144 -1.912
92 1HB ASN 12 HB2 ASN 12 0.908 0.996 -2.562
93 2HB ASN 12 HB1 ASN 12 0.926 1.909 -1.052
94 1HD2 ASN 12 HD21 ASN 12 2.400 1.641 -4.242
95 2HD2 ASN 12 HD22 ASN 12 3.327 3.057 -4.137
96 H ARG 13 HN ARG 13 1.750 1.489 1.033
97 HA ARG 13 HA ARG 13 4.061 2.972 1.689
98 1HB ARG 13 HB2 ARG 13 1.550 2.376 2.760
99 2HB ARG 13 HB1 ARG 13 2.683 1.813 3.989
100 1HG ARG 13 HG2 ARG 13 3.360 4.433 2.813
101 2HG ARG 13 HG1 ARG 13 1.857 4.411 3.736
102 1HD ARG 13 HD2 ARG 13 2.947 3.735 5.726
103 2HD ARG 13 HD1 ARG 13 4.392 3.190 4.849
104 HE ARG 13 HE ARG 13 4.461 5.759 4.157
105 1HH1 ARG 13 HH11 ARG 13 4.058 4.183 7.177
106 2HH1 ARG 13 HH12 ARG 13 4.332 5.610 8.119
107 1HH2 ARG 13 HH21 ARG 13 4.605 7.696 5.362
108 2HH2 ARG 13 HH22 ARG 13 4.641 7.600 7.091
109 H SER 14 HN SER 14 3.134 -0.249 2.980
110 HA SER 14 HA SER 14 5.465 -0.793 4.461
111 1HB SER 14 HB2 SER 14 3.157 -2.049 3.979
112 2HB SER 14 HB1 SER 14 4.161 -2.951 2.848
113 HG SER 14 HG SER 14 4.243 -2.818 5.634
114 H PHE 15 HN PHE 15 4.806 -1.625 1.035
115 HA PHE 15 HA PHE 15 7.396 -2.762 0.518
116 1HB PHE 15 HB2 PHE 15 5.016 -1.791 -0.992
117 2HB PHE 15 HB1 PHE 15 6.515 -1.961 -1.907
118 HD1 PHE 15 HD1 PHE 15 3.919 -3.731 0.013
119 HD2 PHE 15 HD2 PHE 15 7.582 -4.145 -2.193
120 HE1 PHE 15 HE1 PHE 15 3.585 -6.186 -0.081
121 HE2 PHE 15 HE2 PHE 15 7.248 -6.600 -2.287
122 HZ PHE 15 HZ PHE 15 5.249 -7.621 -1.231
123 H THR 16 HN THR 16 6.046 0.476 -0.236
124 HA THR 16 HA THR 16 8.361 1.604 -1.417
125 HB THR 16 HB THR 16 6.140 2.793 0.272
126 HG1 THR 16 HG1 THR 16 6.363 3.074 -2.487
127 1HG2 THR 16 HG21 THR 16 7.566 4.428 -1.751
128 2HG2 THR 16 HG22 THR 16 8.453 4.084 -0.266
129 3HG2 THR 16 HG23 THR 16 6.892 4.901 -0.193
130 H GLN 17 HN GLN 17 7.290 1.835 2.000
131 HA GLN 17 HA GLN 17 9.596 3.209 2.969
132 1HB GLN 17 HB2 GLN 17 7.162 2.158 3.914
133 2HB GLN 17 HB1 GLN 17 8.411 1.370 4.879
134 1HG GLN 17 HG2 GLN 17 8.772 4.280 4.435
135 2HG GLN 17 HG1 GLN 17 7.414 3.824 5.464
136 1HE2 GLN 17 HE21 GLN 17 10.383 4.897 5.919
137 2HE2 GLN 17 HE22 GLN 17 10.910 3.936 7.215
138 H ALA 18 HN ALA 18 8.806 -0.290 3.111
139 HA ALA 18 HA ALA 18 11.228 -1.188 4.269
140 1HB ALA 18 HB1 ALA 18 9.590 -2.603 2.147
141 2HB ALA 18 HB2 ALA 18 9.045 -2.421 3.814
142 3HB ALA 18 HB3 ALA 18 10.508 -3.341 3.460
143 H LEU 19 HN LEU 19 10.458 -0.366 0.914
144 HA LEU 19 HA LEU 19 12.760 -1.516 -0.339
145 1HB LEU 19 HB2 LEU 19 10.762 0.648 -0.908
146 2HB LEU 19 HB1 LEU 19 12.170 0.504 -1.962
147 HG LEU 19 HG LEU 19 10.556 -1.938 -1.276
148 1HD1 LEU 19 HD11 LEU 19 8.850 -1.428 -2.701
149 2HD1 LEU 19 HD12 LEU 19 9.910 -0.561 -3.813
150 3HD1 LEU 19 HD13 LEU 19 9.313 0.239 -2.359
151 1HD2 LEU 19 HD21 LEU 19 12.798 -1.274 -2.934
152 2HD2 LEU 19 HD22 LEU 19 11.469 -1.780 -3.977
153 3HD2 LEU 19 HD23 LEU 19 12.045 -2.851 -2.699
154 H GLY 20 HN GLY 20 12.193 1.943 0.444
155 1HA GLY 20 HA2 GLY 20 13.759 3.421 1.502
156 2HA GLY 20 HA1 GLY 20 15.007 2.185 1.327
157 H LYS 21 HN LYS 21 13.456 2.295 -1.604
158 HA LYS 21 HA LYS 21 14.738 4.683 -2.718
159 1HB LYS 21 HB2 LYS 21 16.339 3.354 -4.092
160 2HB LYS 21 HB1 LYS 21 16.651 3.181 -2.365
161 1HG LYS 21 HG2 LYS 21 16.419 0.954 -2.570
162 2HG LYS 21 HG1 LYS 21 14.742 1.196 -3.063
163 1HD LYS 21 HD2 LYS 21 15.368 1.363 -5.384
164 2HD LYS 21 HD1 LYS 21 17.084 1.398 -4.973
165 1HE LYS 21 HE2 LYS 21 17.180 -0.877 -4.611
166 2HE LYS 21 HE1 LYS 21 15.515 -0.952 -4.002
167 1HZ LYS 21 HZ1 LYS 21 15.021 -0.144 -6.446
168 2HZ LYS 21 HZ2 LYS 21 15.182 -1.795 -6.076
169 3HZ LYS 21 HZ3 LYS 21 16.482 -0.947 -6.765
170 1HN NH2 22 1HN NH2 22 14.919 3.678 -5.423
171 2HN NH2 22 2HN NH2 22 13.359 3.256 -5.942
Start of MODEL 9
1 1H SER 1 1H SER 1 -13.882 -2.058 -3.931
2 2H SER 1 2H SER 1 -14.371 -2.525 -5.489
3 3H SER 1 3H SER 1 -14.134 -3.697 -4.284
4 HA SER 1 HA SER 1 -16.361 -1.786 -4.596
5 1HB SER 1 HB2 SER 1 -16.214 -4.205 -5.448
6 2HB SER 1 HB1 SER 1 -16.242 -4.692 -3.756
7 HG SER 1 HG SER 1 -18.170 -3.000 -4.974
8 H GLY 2 HN GLY 2 -14.621 -3.771 -2.186
9 1HA GLY 2 HA2 GLY 2 -15.679 -1.972 -0.068
10 2HA GLY 2 HA1 GLY 2 -15.916 -3.710 0.118
11 H SER 3 HN SER 3 -14.101 -1.466 1.404
12 HA SER 3 HA SER 3 -11.925 -1.383 2.332
13 1HB SER 3 HB2 SER 3 -13.000 -3.422 3.331
14 2HB SER 3 HB1 SER 3 -12.277 -4.385 2.045
15 HG SER 3 HG SER 3 -10.763 -2.683 3.726
16 H LEU 4 HN LEU 4 -10.996 -0.483 0.313
17 HA LEU 4 HA LEU 4 -9.258 -2.477 -1.105
18 1HB LEU 4 HB2 LEU 4 -11.409 -1.237 -2.186
19 2HB LEU 4 HB1 LEU 4 -10.175 -0.019 -2.511
20 HG LEU 4 HG LEU 4 -10.391 -1.671 -4.366
21 1HD1 LEU 4 HD11 LEU 4 -7.936 -2.291 -4.414
22 2HD1 LEU 4 HD12 LEU 4 -7.812 -1.651 -2.776
23 3HD1 LEU 4 HD13 LEU 4 -8.255 -0.584 -4.109
24 1HD2 LEU 4 HD21 LEU 4 -10.107 -3.951 -4.056
25 2HD2 LEU 4 HD22 LEU 4 -10.843 -3.530 -2.510
26 3HD2 LEU 4 HD23 LEU 4 -9.095 -3.736 -2.628
27 H SER 5 HN SER 5 -9.626 1.089 -0.975
28 HA SER 5 HA SER 5 -6.967 1.827 -1.361
29 1HB SER 5 HB2 SER 5 -7.747 3.737 0.316
30 2HB SER 5 HB1 SER 5 -8.500 3.573 -1.268
31 HG SER 5 HG SER 5 -10.286 3.237 -0.232
32 H THR 6 HN THR 6 -8.526 1.112 1.788
33 HA THR 6 HA THR 6 -6.442 1.557 3.563
34 HB THR 6 HB THR 6 -8.087 -0.972 3.638
35 HG1 THR 6 HG1 THR 6 -8.921 1.714 3.759
36 1HG2 THR 6 HG21 THR 6 -7.415 -0.937 5.780
37 2HG2 THR 6 HG22 THR 6 -8.210 0.623 5.994
38 3HG2 THR 6 HG23 THR 6 -6.523 0.556 5.485
39 H PHE 7 HN PHE 7 -7.051 -1.728 2.263
40 HA PHE 7 HA PHE 7 -4.538 -2.826 2.949
41 1HB PHE 7 HB2 PHE 7 -6.813 -3.782 1.979
42 2HB PHE 7 HB1 PHE 7 -5.974 -3.618 0.437
43 HD1 PHE 7 HD1 PHE 7 -6.852 -6.227 1.917
44 HD2 PHE 7 HD2 PHE 7 -3.152 -4.056 1.704
45 HE1 PHE 7 HE1 PHE 7 -5.599 -8.317 2.374
46 HE2 PHE 7 HE2 PHE 7 -1.898 -6.146 2.161
47 HZ PHE 7 HZ PHE 7 -3.122 -8.278 2.497
48 H PHE 8 HN PHE 8 -5.562 -1.522 -0.235
49 HA PHE 8 HA PHE 8 -3.176 -1.800 -1.662
50 1HB PHE 8 HB2 PHE 8 -5.313 -0.987 -2.566
51 2HB PHE 8 HB1 PHE 8 -5.160 0.498 -1.628
52 HD1 PHE 8 HD1 PHE 8 -4.007 -1.352 -4.570
53 HD2 PHE 8 HD2 PHE 8 -3.411 2.161 -2.171
54 HE1 PHE 8 HE1 PHE 8 -2.660 -0.339 -6.389
55 HE2 PHE 8 HE2 PHE 8 -2.063 3.174 -3.990
56 HZ PHE 8 HZ PHE 8 -1.688 1.924 -6.099
57 H ARG 9 HN ARG 9 -4.131 1.197 0.070
58 HA ARG 9 HA ARG 9 -1.687 2.572 -0.128
59 1HB ARG 9 HB2 ARG 9 -3.709 3.608 0.684
60 2HB ARG 9 HB1 ARG 9 -3.815 2.471 2.029
61 1HG ARG 9 HG2 ARG 9 -1.647 3.368 2.897
62 2HG ARG 9 HG1 ARG 9 -1.673 4.576 1.612
63 1HD ARG 9 HD2 ARG 9 -4.030 5.196 2.516
64 2HD ARG 9 HD1 ARG 9 -3.538 4.309 3.973
65 HE ARG 9 HE ARG 9 -1.500 6.176 3.035
66 1HH1 ARG 9 HH11 ARG 9 -4.592 6.130 4.507
67 2HH1 ARG 9 HH12 ARG 9 -4.190 7.297 5.722
68 1HH2 ARG 9 HH21 ARG 9 -0.862 7.528 4.775
69 2HH2 ARG 9 HH22 ARG 9 -2.078 8.089 5.873
70 H LEU 10 HN LEU 10 -2.755 0.379 2.501
71 HA LEU 10 HA LEU 10 -0.505 0.515 4.173
72 1HB LEU 10 HB2 LEU 10 -2.581 -0.678 4.687
73 2HB LEU 10 HB1 LEU 10 -2.258 -1.840 3.399
74 HG LEU 10 HG LEU 10 0.025 -1.646 5.164
75 1HD1 LEU 10 HD11 LEU 10 -1.582 -1.001 6.884
76 2HD1 LEU 10 HD12 LEU 10 -1.078 -2.668 7.158
77 3HD1 LEU 10 HD13 LEU 10 -2.647 -2.331 6.426
78 1HD2 LEU 10 HD21 LEU 10 -0.594 -3.503 3.580
79 2HD2 LEU 10 HD22 LEU 10 -1.915 -3.924 4.670
80 3HD2 LEU 10 HD23 LEU 10 -0.243 -4.058 5.216
81 H PHE 11 HN PHE 11 -1.037 -1.853 1.526
82 HA PHE 11 HA PHE 11 1.522 -3.084 1.639
83 1HB PHE 11 HB2 PHE 11 -0.745 -3.538 0.327
84 2HB PHE 11 HB1 PHE 11 0.079 -2.648 -0.954
85 HD1 PHE 11 HD1 PHE 11 2.924 -3.532 -0.074
86 HD2 PHE 11 HD2 PHE 11 -0.717 -5.685 -0.821
87 HE1 PHE 11 HE1 PHE 11 4.237 -5.558 -0.640
88 HE2 PHE 11 HE2 PHE 11 0.597 -7.710 -1.388
89 HZ PHE 11 HZ PHE 11 3.074 -7.646 -1.298
90 H ASN 12 HN ASN 12 0.396 -0.434 -0.503
91 HA ASN 12 HA ASN 12 2.800 0.065 -1.880
92 1HB ASN 12 HB2 ASN 12 0.554 1.056 -2.312
93 2HB ASN 12 HB1 ASN 12 0.735 2.046 -0.864
94 1HD2 ASN 12 HD21 ASN 12 1.124 2.171 -4.181
95 2HD2 ASN 12 HD22 ASN 12 2.294 3.398 -4.272
96 H ARG 13 HN ARG 13 1.675 1.595 1.164
97 HA ARG 13 HA ARG 13 3.984 3.195 1.630
98 1HB ARG 13 HB2 ARG 13 1.609 2.209 3.043
99 2HB ARG 13 HB1 ARG 13 2.982 2.476 4.118
100 1HG ARG 13 HG2 ARG 13 2.257 4.555 2.069
101 2HG ARG 13 HG1 ARG 13 1.374 4.476 3.595
102 1HD ARG 13 HD2 ARG 13 3.580 4.587 4.809
103 2HD ARG 13 HD1 ARG 13 4.366 4.868 3.242
104 HE ARG 13 HE ARG 13 2.401 6.706 4.527
105 1HH1 ARG 13 HH11 ARG 13 2.169 6.750 1.553
106 2HH1 ARG 13 HH12 ARG 13 3.314 7.973 1.110
107 1HH2 ARG 13 HH21 ARG 13 4.947 7.927 4.168
108 2HH2 ARG 13 HH22 ARG 13 4.885 8.640 2.591
109 H SER 14 HN SER 14 3.156 0.023 3.100
110 HA SER 14 HA SER 14 5.587 -0.416 4.469
111 1HB SER 14 HB2 SER 14 4.882 -2.835 4.222
112 2HB SER 14 HB1 SER 14 3.608 -1.767 4.802
113 HG SER 14 HG SER 14 2.521 -2.220 3.069
114 H PHE 15 HN PHE 15 4.703 -1.274 1.113
115 HA PHE 15 HA PHE 15 7.119 -2.638 0.434
116 1HB PHE 15 HB2 PHE 15 4.738 -2.216 -0.727
117 2HB PHE 15 HB1 PHE 15 5.659 -0.970 -1.571
118 HD1 PHE 15 HD1 PHE 15 4.435 -3.630 -2.692
119 HD2 PHE 15 HD2 PHE 15 8.359 -2.507 -1.354
120 HE1 PHE 15 HE1 PHE 15 5.432 -5.359 -4.164
121 HE2 PHE 15 HE2 PHE 15 9.357 -4.237 -2.826
122 HZ PHE 15 HZ PHE 15 7.892 -5.663 -4.230
123 H THR 16 HN THR 16 6.184 0.796 0.030
124 HA THR 16 HA THR 16 8.615 1.658 -1.212
125 HB THR 16 HB THR 16 6.714 3.184 0.598
126 HG1 THR 16 HG1 THR 16 6.590 2.479 -2.140
127 1HG2 THR 16 HG21 THR 16 7.987 4.363 -1.820
128 2HG2 THR 16 HG22 THR 16 9.029 4.090 -0.423
129 3HG2 THR 16 HG23 THR 16 7.601 5.114 -0.271
130 H GLN 17 HN GLN 17 7.610 1.553 2.215
131 HA GLN 17 HA GLN 17 9.966 2.798 3.286
132 1HB GLN 17 HB2 GLN 17 7.679 2.377 4.346
133 2HB GLN 17 HB1 GLN 17 8.203 0.711 4.595
134 1HG GLN 17 HG2 GLN 17 9.845 1.313 6.135
135 2HG GLN 17 HG1 GLN 17 9.968 2.959 5.512
136 1HE2 GLN 17 HE21 GLN 17 7.274 3.771 5.536
137 2HE2 GLN 17 HE22 GLN 17 6.697 3.772 7.132
138 H ALA 18 HN ALA 18 9.064 -0.659 2.968
139 HA ALA 18 HA ALA 18 11.505 -1.725 4.012
140 1HB ALA 18 HB1 ALA 18 9.042 -2.593 2.876
141 2HB ALA 18 HB2 ALA 18 10.229 -3.568 3.744
142 3HB ALA 18 HB3 ALA 18 10.336 -3.404 1.991
143 H LEU 19 HN LEU 19 10.472 -1.142 0.630
144 HA LEU 19 HA LEU 19 12.797 -2.074 -0.685
145 1HB LEU 19 HB2 LEU 19 10.767 -1.509 -1.861
146 2HB LEU 19 HB1 LEU 19 10.832 0.157 -1.282
147 HG LEU 19 HG LEU 19 13.081 0.337 -2.486
148 1HD1 LEU 19 HD11 LEU 19 12.110 -1.975 -4.139
149 2HD1 LEU 19 HD12 LEU 19 13.074 -2.287 -2.696
150 3HD1 LEU 19 HD13 LEU 19 13.737 -1.309 -4.005
151 1HD2 LEU 19 HD21 LEU 19 11.823 1.420 -4.010
152 2HD2 LEU 19 HD22 LEU 19 10.401 0.562 -3.417
153 3HD2 LEU 19 HD23 LEU 19 11.352 -0.115 -4.738
154 H GLY 20 HN GLY 20 12.083 1.173 0.631
155 1HA GLY 20 HA2 GLY 20 14.671 2.242 -0.183
156 2HA GLY 20 HA1 GLY 20 13.503 3.048 0.868
157 H LYS 21 HN LYS 21 13.882 0.006 2.138
158 HA LYS 21 HA LYS 21 15.467 0.995 4.377
159 1HB LYS 21 HB2 LYS 21 13.507 -0.760 4.179
160 2HB LYS 21 HB1 LYS 21 14.819 -1.892 3.846
161 1HG LYS 21 HG2 LYS 21 15.333 -0.111 6.133
162 2HG LYS 21 HG1 LYS 21 13.961 -1.196 6.364
163 1HD LYS 21 HD2 LYS 21 16.266 -2.524 5.135
164 2HD LYS 21 HD1 LYS 21 16.618 -1.877 6.738
165 1HE LYS 21 HE2 LYS 21 15.151 -3.315 7.788
166 2HE LYS 21 HE1 LYS 21 14.031 -3.338 6.411
167 1HZ LYS 21 HZ1 LYS 21 15.453 -4.733 5.194
168 2HZ LYS 21 HZ2 LYS 21 15.425 -5.410 6.751
169 3HZ LYS 21 HZ3 LYS 21 16.757 -4.484 6.248
170 1HN NH2 22 1HN NH2 22 17.619 1.447 3.465
171 2HN NH2 22 2HN NH2 22 18.647 0.195 2.958
Start of MODEL 10
1 1H SER 1 1H SER 1 -12.222 5.197 -11.795
2 2H SER 1 2H SER 1 -11.274 5.979 -10.623
3 3H SER 1 3H SER 1 -12.813 5.388 -10.217
4 HA SER 1 HA SER 1 -12.090 3.120 -10.471
5 1HB SER 1 HB2 SER 1 -10.432 4.255 -12.308
6 2HB SER 1 HB1 SER 1 -9.296 3.978 -10.991
7 HG SER 1 HG SER 1 -10.485 1.791 -10.997
8 H GLY 2 HN GLY 2 -10.506 2.025 -8.907
9 1HA GLY 2 HA2 GLY 2 -8.793 2.651 -7.087
10 2HA GLY 2 HA1 GLY 2 -9.984 3.861 -6.608
11 H SER 3 HN SER 3 -8.934 1.484 -5.115
12 HA SER 3 HA SER 3 -11.398 0.639 -3.898
13 1HB SER 3 HB2 SER 3 -11.976 -0.805 -5.573
14 2HB SER 3 HB1 SER 3 -10.345 -0.830 -6.236
15 HG SER 3 HG SER 3 -11.261 -2.191 -3.914
16 H LEU 4 HN LEU 4 -10.979 -1.047 -2.214
17 HA LEU 4 HA LEU 4 -9.654 -1.795 -0.400
18 1HB LEU 4 HB2 LEU 4 -8.432 -2.512 -2.987
19 2HB LEU 4 HB1 LEU 4 -7.312 -2.576 -1.625
20 HG LEU 4 HG LEU 4 -9.412 -3.800 -0.483
21 1HD1 LEU 4 HD11 LEU 4 -10.354 -5.364 -2.253
22 2HD1 LEU 4 HD12 LEU 4 -9.664 -4.281 -3.462
23 3HD1 LEU 4 HD13 LEU 4 -10.909 -3.693 -2.358
24 1HD2 LEU 4 HD21 LEU 4 -8.285 -5.890 -0.941
25 2HD2 LEU 4 HD22 LEU 4 -7.049 -4.638 -0.825
26 3HD2 LEU 4 HD23 LEU 4 -7.556 -5.233 -2.407
27 H SER 5 HN SER 5 -9.566 0.965 -0.527
28 HA SER 5 HA SER 5 -7.077 2.241 -0.892
29 1HB SER 5 HB2 SER 5 -8.030 3.879 0.728
30 2HB SER 5 HB1 SER 5 -9.218 3.367 -0.467
31 HG SER 5 HG SER 5 -9.922 1.808 1.111
32 H THR 6 HN THR 6 -8.380 1.255 2.301
33 HA THR 6 HA THR 6 -6.094 1.551 3.853
34 HB THR 6 HB THR 6 -8.313 -0.505 3.845
35 HG1 THR 6 HG1 THR 6 -8.714 0.872 5.815
36 1HG2 THR 6 HG21 THR 6 -5.968 -0.201 5.695
37 2HG2 THR 6 HG22 THR 6 -6.719 -1.675 5.082
38 3HG2 THR 6 HG23 THR 6 -7.523 -0.731 6.337
39 H PHE 7 HN PHE 7 -7.051 -1.578 2.372
40 HA PHE 7 HA PHE 7 -4.654 -2.978 2.881
41 1HB PHE 7 HB2 PHE 7 -6.996 -3.137 1.096
42 2HB PHE 7 HB1 PHE 7 -5.570 -3.974 0.481
43 HD1 PHE 7 HD1 PHE 7 -7.283 -3.485 3.792
44 HD2 PHE 7 HD2 PHE 7 -5.373 -6.210 1.075
45 HE1 PHE 7 HE1 PHE 7 -7.690 -5.350 5.376
46 HE2 PHE 7 HE2 PHE 7 -5.779 -8.074 2.660
47 HZ PHE 7 HZ PHE 7 -6.938 -7.644 4.810
48 H PHE 8 HN PHE 8 -5.566 -1.279 -0.148
49 HA PHE 8 HA PHE 8 -3.159 -1.624 -1.567
50 1HB PHE 8 HB2 PHE 8 -5.382 -0.630 -2.299
51 2HB PHE 8 HB1 PHE 8 -4.884 0.869 -1.514
52 HD1 PHE 8 HD1 PHE 8 -3.411 -1.693 -3.837
53 HD2 PHE 8 HD2 PHE 8 -3.881 2.466 -2.870
54 HE1 PHE 8 HE1 PHE 8 -2.090 -1.077 -5.844
55 HE2 PHE 8 HE2 PHE 8 -2.560 3.082 -4.877
56 HZ PHE 8 HZ PHE 8 -1.665 1.311 -6.364
57 H ARG 9 HN ARG 9 -4.026 1.419 0.120
58 HA ARG 9 HA ARG 9 -1.546 2.676 0.105
59 1HB ARG 9 HB2 ARG 9 -4.012 2.703 1.677
60 2HB ARG 9 HB1 ARG 9 -2.614 3.210 2.626
61 1HG ARG 9 HG2 ARG 9 -2.751 4.338 -0.106
62 2HG ARG 9 HG1 ARG 9 -4.017 4.882 0.995
63 1HD ARG 9 HD2 ARG 9 -1.067 4.914 1.716
64 2HD ARG 9 HD1 ARG 9 -1.937 6.318 1.066
65 HE ARG 9 HE ARG 9 -3.360 5.117 3.289
66 1HH1 ARG 9 HH11 ARG 9 -2.609 8.069 2.390
67 2HH1 ARG 9 HH12 ARG 9 -1.837 8.603 3.846
68 1HH2 ARG 9 HH21 ARG 9 -1.566 5.415 5.184
69 2HH2 ARG 9 HH22 ARG 9 -1.246 7.100 5.427
70 H LEU 10 HN LEU 10 -2.702 0.275 2.491
71 HA LEU 10 HA LEU 10 -0.462 0.298 4.230
72 1HB LEU 10 HB2 LEU 10 -2.585 -1.656 3.403
73 2HB LEU 10 HB1 LEU 10 -1.283 -2.213 4.455
74 HG LEU 10 HG LEU 10 -2.887 0.282 5.046
75 1HD1 LEU 10 HD11 LEU 10 -4.079 -1.215 6.719
76 2HD1 LEU 10 HD12 LEU 10 -3.390 -2.593 5.860
77 3HD1 LEU 10 HD13 LEU 10 -4.499 -1.501 5.030
78 1HD2 LEU 10 HD21 LEU 10 -1.989 -0.930 7.390
79 2HD2 LEU 10 HD22 LEU 10 -1.249 0.461 6.598
80 3HD2 LEU 10 HD23 LEU 10 -0.655 -1.165 6.261
81 H PHE 11 HN PHE 11 -1.099 -2.040 1.579
82 HA PHE 11 HA PHE 11 1.420 -3.326 1.616
83 1HB PHE 11 HB2 PHE 11 -0.890 -2.981 -0.177
84 2HB PHE 11 HB1 PHE 11 0.612 -3.354 -1.023
85 HD1 PHE 11 HD1 PHE 11 -2.115 -4.705 0.842
86 HD2 PHE 11 HD2 PHE 11 2.038 -5.317 -0.072
87 HE1 PHE 11 HE1 PHE 11 -2.313 -7.080 1.528
88 HE2 PHE 11 HE2 PHE 11 1.839 -7.692 0.615
89 HZ PHE 11 HZ PHE 11 -0.337 -8.574 1.415
90 H ASN 12 HN ASN 12 0.361 -0.501 -0.313
91 HA ASN 12 HA ASN 12 2.765 -0.087 -1.766
92 1HB ASN 12 HB2 ASN 12 0.285 1.281 -1.111
93 2HB ASN 12 HB1 ASN 12 1.629 2.421 -1.191
94 1HD2 ASN 12 HD21 ASN 12 0.747 3.285 -3.245
95 2HD2 ASN 12 HD22 ASN 12 0.932 2.412 -4.690
96 H ARG 13 HN ARG 13 1.710 1.626 1.210
97 HA ARG 13 HA ARG 13 4.095 3.036 1.722
98 1HB ARG 13 HB2 ARG 13 1.618 2.561 2.920
99 2HB ARG 13 HB1 ARG 13 2.784 1.990 4.115
100 1HG ARG 13 HG2 ARG 13 3.039 4.151 4.716
101 2HG ARG 13 HG1 ARG 13 3.896 4.370 3.191
102 1HD ARG 13 HD2 ARG 13 0.884 4.642 3.494
103 2HD ARG 13 HD1 ARG 13 2.017 6.008 3.467
104 HE ARG 13 HE ARG 13 2.537 4.288 1.230
105 1HH1 ARG 13 HH21 ARG 13 1.808 7.382 1.748
106 2HH1 ARG 13 HH22 ARG 13 0.608 7.560 0.512
107 1HH2 ARG 13 HH11 ARG 13 0.320 4.153 -0.070
108 2HH2 ARG 13 HH12 ARG 13 -0.234 5.732 -0.517
109 H SER 14 HN SER 14 3.130 -0.146 3.078
110 HA SER 14 HA SER 14 5.459 -0.736 4.532
111 1HB SER 14 HB2 SER 14 3.496 -2.406 2.953
112 2HB SER 14 HB1 SER 14 4.769 -3.146 3.920
113 HG SER 14 HG SER 14 3.868 -2.357 5.729
114 H PHE 15 HN PHE 15 4.781 -1.638 1.124
115 HA PHE 15 HA PHE 15 7.402 -2.711 0.614
116 1HB PHE 15 HB2 PHE 15 4.974 -2.692 -0.612
117 2HB PHE 15 HB1 PHE 15 5.829 -1.504 -1.596
118 HD1 PHE 15 HD1 PHE 15 5.737 -5.021 -0.497
119 HD2 PHE 15 HD2 PHE 15 7.767 -2.128 -2.938
120 HE1 PHE 15 HE1 PHE 15 6.933 -6.849 -1.670
121 HE2 PHE 15 HE2 PHE 15 8.962 -3.956 -4.111
122 HZ PHE 15 HZ PHE 15 8.545 -6.317 -3.478
123 H THR 16 HN THR 16 5.930 0.442 -0.262
124 HA THR 16 HA THR 16 8.073 1.656 -1.574
125 HB THR 16 HB THR 16 5.984 2.674 0.361
126 HG1 THR 16 HG1 THR 16 6.301 2.386 -2.396
127 1HG2 THR 16 HG21 THR 16 8.195 4.141 -1.027
128 2HG2 THR 16 HG22 THR 16 7.512 4.408 0.576
129 3HG2 THR 16 HG23 THR 16 6.626 4.927 -0.857
130 H GLN 17 HN GLN 17 7.427 1.988 1.944
131 HA GLN 17 HA GLN 17 9.980 3.172 2.539
132 1HB GLN 17 HB2 GLN 17 7.553 2.685 3.795
133 2HB GLN 17 HB1 GLN 17 8.673 1.652 4.682
134 1HG GLN 17 HG2 GLN 17 10.200 3.826 4.606
135 2HG GLN 17 HG1 GLN 17 8.641 4.632 4.427
136 1HE2 GLN 17 HE21 GLN 17 9.762 5.308 6.754
137 2HE2 GLN 17 HE22 GLN 17 9.136 4.432 8.066
138 H ALA 18 HN ALA 18 8.748 -0.157 3.066
139 HA ALA 18 HA ALA 18 10.938 -1.404 4.205
140 1HB ALA 18 HB1 ALA 18 8.835 -2.517 3.672
141 2HB ALA 18 HB2 ALA 18 10.151 -3.411 2.909
142 3HB ALA 18 HB3 ALA 18 9.139 -2.336 1.945
143 H LEU 19 HN LEU 19 10.463 -1.015 0.667
144 HA LEU 19 HA LEU 19 13.097 -1.986 -0.018
145 1HB LEU 19 HB2 LEU 19 10.906 -1.803 -1.390
146 2HB LEU 19 HB1 LEU 19 11.373 -0.123 -1.655
147 HG LEU 19 HG LEU 19 13.710 -1.544 -2.172
148 1HD1 LEU 19 HD11 LEU 19 11.598 -2.918 -3.788
149 2HD1 LEU 19 HD12 LEU 19 11.940 -3.527 -2.169
150 3HD1 LEU 19 HD13 LEU 19 13.224 -3.464 -3.376
151 1HD2 LEU 19 HD21 LEU 19 13.520 -0.082 -3.877
152 2HD2 LEU 19 HD22 LEU 19 11.804 0.131 -3.534
153 3HD2 LEU 19 HD23 LEU 19 12.333 -1.150 -4.624
154 H GLY 20 HN GLY 20 11.722 1.331 -0.124
155 1HA GLY 20 HA2 GLY 20 13.157 3.088 1.038
156 2HA GLY 20 HA1 GLY 20 14.517 2.360 0.179
157 H LYS 21 HN LYS 21 11.944 2.145 -1.903
158 HA LYS 21 HA LYS 21 12.969 4.286 -3.599
159 1HB LYS 21 HB2 LYS 21 12.193 2.210 -4.556
160 2HB LYS 21 HB1 LYS 21 10.638 2.352 -3.735
161 1HG LYS 21 HG2 LYS 21 9.950 4.160 -5.106
162 2HG LYS 21 HG1 LYS 21 11.593 4.453 -5.683
163 1HD LYS 21 HD2 LYS 21 11.384 2.927 -7.333
164 2HD LYS 21 HD1 LYS 21 10.711 1.724 -6.231
165 1HE LYS 21 HE2 LYS 21 8.533 2.304 -6.715
166 2HE LYS 21 HE1 LYS 21 8.938 4.014 -6.965
167 1HZ LYS 21 HZ1 LYS 21 8.486 2.401 -8.992
168 2HZ LYS 21 HZ2 LYS 21 10.136 2.055 -8.775
169 3HZ LYS 21 HZ3 LYS 21 9.633 3.647 -9.084
170 1HN NH2 22 1HN NH2 22 9.475 3.891 -3.299
171 2HN NH2 22 2HN NH2 22 9.149 5.459 -2.736
Start of MODEL 11
1 1H SER 1 1H SER 1 -5.982 -1.498 -9.067
2 2H SER 1 2H SER 1 -7.213 -0.842 -10.035
3 3H SER 1 3H SER 1 -5.950 -1.726 -10.748
4 HA SER 1 HA SER 1 -8.014 -3.040 -10.603
5 1HB SER 1 HB2 SER 1 -5.763 -4.035 -10.644
6 2HB SER 1 HB1 SER 1 -5.637 -3.851 -8.897
7 HG SER 1 HG SER 1 -6.636 -5.684 -8.759
8 H GLY 2 HN GLY 2 -9.873 -2.630 -9.426
9 1HA GLY 2 HA2 GLY 2 -11.330 -2.650 -7.584
10 2HA GLY 2 HA1 GLY 2 -10.086 -3.547 -6.712
11 H SER 3 HN SER 3 -11.301 -1.842 -5.122
12 HA SER 3 HA SER 3 -10.224 0.871 -5.198
13 1HB SER 3 HB2 SER 3 -11.333 -0.370 -2.721
14 2HB SER 3 HB1 SER 3 -11.701 1.190 -3.451
15 HG SER 3 HG SER 3 -13.447 -0.091 -3.836
16 H LEU 4 HN LEU 4 -8.559 1.705 -3.858
17 HA LEU 4 HA LEU 4 -6.413 -0.093 -3.156
18 1HB LEU 4 HB2 LEU 4 -7.052 2.823 -2.657
19 2HB LEU 4 HB1 LEU 4 -5.540 2.090 -2.120
20 HG LEU 4 HG LEU 4 -5.633 1.219 -4.701
21 1HD1 LEU 4 HD11 LEU 4 -7.488 3.445 -4.478
22 2HD1 LEU 4 HD12 LEU 4 -7.159 2.404 -5.864
23 3HD1 LEU 4 HD13 LEU 4 -6.164 3.832 -5.577
24 1HD2 LEU 4 HD21 LEU 4 -4.378 3.719 -4.866
25 2HD2 LEU 4 HD22 LEU 4 -3.616 2.196 -4.405
26 3HD2 LEU 4 HD23 LEU 4 -4.255 3.274 -3.163
27 H SER 5 HN SER 5 -8.539 1.956 -1.113
28 HA SER 5 HA SER 5 -9.171 1.713 1.150
29 1HB SER 5 HB2 SER 5 -9.371 -0.759 -0.241
30 2HB SER 5 HB1 SER 5 -8.739 -1.126 1.360
31 HG SER 5 HG SER 5 -11.204 -0.149 0.584
32 H THR 6 HN THR 6 -8.288 1.081 3.317
33 HA THR 6 HA THR 6 -5.628 1.747 3.769
34 HB THR 6 HB THR 6 -6.094 0.035 5.802
35 HG1 THR 6 HG1 THR 6 -7.997 -0.639 4.430
36 1HG2 THR 6 HG21 THR 6 -6.552 1.951 6.913
37 2HG2 THR 6 HG22 THR 6 -7.970 2.282 5.920
38 3HG2 THR 6 HG23 THR 6 -6.367 2.750 5.352
39 H PHE 7 HN PHE 7 -6.949 -1.451 2.964
40 HA PHE 7 HA PHE 7 -4.676 -3.062 3.444
41 1HB PHE 7 HB2 PHE 7 -7.035 -3.086 1.593
42 2HB PHE 7 HB1 PHE 7 -5.770 -4.292 1.353
43 HD1 PHE 7 HD1 PHE 7 -5.671 -6.212 2.716
44 HD2 PHE 7 HD2 PHE 7 -8.012 -2.835 3.968
45 HE1 PHE 7 HE1 PHE 7 -6.575 -7.539 4.606
46 HE2 PHE 7 HE2 PHE 7 -8.917 -4.162 5.857
47 HZ PHE 7 HZ PHE 7 -8.199 -6.514 6.176
48 H PHE 8 HN PHE 8 -5.647 -1.787 0.228
49 HA PHE 8 HA PHE 8 -3.165 -2.336 -1.058
50 1HB PHE 8 HB2 PHE 8 -5.537 -1.658 -1.928
51 2HB PHE 8 HB1 PHE 8 -4.951 -0.006 -1.742
52 HD1 PHE 8 HD1 PHE 8 -5.107 -2.790 -3.926
53 HD2 PHE 8 HD2 PHE 8 -2.560 0.468 -2.763
54 HE1 PHE 8 HE1 PHE 8 -3.883 -2.980 -6.074
55 HE2 PHE 8 HE2 PHE 8 -1.336 0.277 -4.912
56 HZ PHE 8 HZ PHE 8 -1.998 -1.446 -6.567
57 H ARG 9 HN ARG 9 -4.350 0.628 0.548
58 HA ARG 9 HA ARG 9 -2.173 2.345 -0.015
59 1HB ARG 9 HB2 ARG 9 -4.387 2.872 1.071
60 2HB ARG 9 HB1 ARG 9 -3.778 2.133 2.552
61 1HG ARG 9 HG2 ARG 9 -2.339 3.866 2.991
62 2HG ARG 9 HG1 ARG 9 -2.042 4.189 1.283
63 1HD ARG 9 HD2 ARG 9 -4.737 4.770 2.530
64 2HD ARG 9 HD1 ARG 9 -3.420 5.959 2.568
65 HE ARG 9 HE ARG 9 -4.786 4.978 0.131
66 1HH1 ARG 9 HH21 ARG 9 -1.854 6.237 1.359
67 2HH1 ARG 9 HH22 ARG 9 -1.629 7.370 0.068
68 1HH2 ARG 9 HH11 ARG 9 -4.671 6.662 -1.438
69 2HH2 ARG 9 HH12 ARG 9 -3.224 7.611 -1.515
70 H LEU 10 HN LEU 10 -2.626 0.139 2.774
71 HA LEU 10 HA LEU 10 -0.099 0.685 4.016
72 1HB LEU 10 HB2 LEU 10 -2.359 -1.160 4.219
73 2HB LEU 10 HB1 LEU 10 -0.831 -1.938 4.634
74 HG LEU 10 HG LEU 10 -1.180 0.771 5.757
75 1HD1 LEU 10 HD11 LEU 10 -2.543 -0.833 7.598
76 2HD1 LEU 10 HD12 LEU 10 -3.261 -1.250 6.041
77 3HD1 LEU 10 HD13 LEU 10 -3.252 0.428 6.588
78 1HD2 LEU 10 HD21 LEU 10 0.611 -1.127 6.164
79 2HD2 LEU 10 HD22 LEU 10 -0.601 -1.752 7.281
80 3HD2 LEU 10 HD23 LEU 10 0.061 -0.134 7.514
81 H PHE 11 HN PHE 11 -1.123 -1.953 1.815
82 HA PHE 11 HA PHE 11 1.296 -3.384 1.659
83 1HB PHE 11 HB2 PHE 11 -1.182 -3.045 0.177
84 2HB PHE 11 HB1 PHE 11 0.169 -3.342 -0.918
85 HD1 PHE 11 HD1 PHE 11 1.392 -5.440 -0.879
86 HD2 PHE 11 HD2 PHE 11 -1.794 -4.692 1.903
87 HE1 PHE 11 HE1 PHE 11 1.366 -7.842 -0.263
88 HE2 PHE 11 HE2 PHE 11 -1.821 -7.094 2.518
89 HZ PHE 11 HZ PHE 11 -0.240 -8.669 1.435
90 H ASN 12 HN ASN 12 0.243 -0.609 -0.350
91 HA ASN 12 HA ASN 12 2.661 -0.447 -1.903
92 1HB ASN 12 HB2 ASN 12 0.189 0.601 -2.044
93 2HB ASN 12 HB1 ASN 12 1.015 1.969 -1.298
94 1HD2 ASN 12 HD21 ASN 12 3.619 1.271 -2.647
95 2HD2 ASN 12 HD22 ASN 12 3.424 1.740 -4.266
96 H ARG 13 HN ARG 13 1.512 1.632 0.793
97 HA ARG 13 HA ARG 13 3.865 3.161 1.127
98 1HB ARG 13 HB2 ARG 13 1.695 3.623 2.183
99 2HB ARG 13 HB1 ARG 13 1.839 2.156 3.154
100 1HG ARG 13 HG2 ARG 13 4.222 3.454 3.672
101 2HG ARG 13 HG1 ARG 13 3.074 4.789 3.557
102 1HD ARG 13 HD2 ARG 13 1.843 4.070 5.394
103 2HD ARG 13 HD1 ARG 13 2.294 2.369 5.157
104 HE ARG 13 HE ARG 13 4.679 3.199 5.791
105 1HH1 ARG 13 HH11 ARG 13 3.812 6.016 6.343
106 2HH1 ARG 13 HH12 ARG 13 3.568 5.990 8.058
107 1HH2 ARG 13 HH21 ARG 13 3.468 2.529 8.259
108 2HH2 ARG 13 HH22 ARG 13 3.374 4.016 9.143
109 H SER 14 HN SER 14 2.991 0.000 2.528
110 HA SER 14 HA SER 14 5.297 -0.259 4.227
111 1HB SER 14 HB2 SER 14 3.298 -1.590 4.532
112 2HB SER 14 HB1 SER 14 3.412 -2.227 2.895
113 HG SER 14 HG SER 14 4.262 -3.523 4.774
114 H PHE 15 HN PHE 15 4.604 -1.584 0.965
115 HA PHE 15 HA PHE 15 7.089 -2.887 0.543
116 1HB PHE 15 HB2 PHE 15 4.729 -2.085 -0.909
117 2HB PHE 15 HB1 PHE 15 6.156 -1.792 -1.903
118 HD1 PHE 15 HD1 PHE 15 6.825 -3.552 -3.261
119 HD2 PHE 15 HD2 PHE 15 4.944 -4.415 0.503
120 HE1 PHE 15 HE1 PHE 15 7.002 -5.982 -3.729
121 HE2 PHE 15 HE2 PHE 15 5.120 -6.844 0.035
122 HZ PHE 15 HZ PHE 15 6.149 -7.628 -2.081
123 H THR 16 HN THR 16 6.098 0.426 -0.409
124 HA THR 16 HA THR 16 8.628 1.204 -1.504
125 HB THR 16 HB THR 16 7.574 3.536 -0.868
126 HG1 THR 16 HG1 THR 16 5.166 2.921 -0.732
127 1HG2 THR 16 HG21 THR 16 5.599 2.629 -2.607
128 2HG2 THR 16 HG22 THR 16 6.951 1.533 -2.894
129 3HG2 THR 16 HG23 THR 16 7.173 3.274 -3.071
130 H GLN 17 HN GLN 17 7.222 1.669 1.754
131 HA GLN 17 HA GLN 17 9.334 3.165 2.909
132 1HB GLN 17 HB2 GLN 17 7.069 2.705 3.860
133 2HB GLN 17 HB1 GLN 17 7.567 1.041 4.168
134 1HG GLN 17 HG2 GLN 17 7.828 2.392 6.202
135 2HG GLN 17 HG1 GLN 17 9.406 1.874 5.609
136 1HE2 GLN 17 HE21 GLN 17 10.225 3.838 6.852
137 2HE2 GLN 17 HE22 GLN 17 10.154 5.355 6.097
138 H ALA 18 HN ALA 18 8.848 -0.387 2.888
139 HA ALA 18 HA ALA 18 11.293 -1.028 4.249
140 1HB ALA 18 HB1 ALA 18 10.409 -3.110 4.041
141 2HB ALA 18 HB2 ALA 18 10.318 -2.977 2.285
142 3HB ALA 18 HB3 ALA 18 9.027 -2.315 3.288
143 H LEU 19 HN LEU 19 10.474 -1.008 0.759
144 HA LEU 19 HA LEU 19 12.986 -1.807 -0.265
145 1HB LEU 19 HB2 LEU 19 10.734 -1.447 -1.420
146 2HB LEU 19 HB1 LEU 19 11.136 0.270 -1.463
147 HG LEU 19 HG LEU 19 13.076 -1.781 -2.512
148 1HD1 LEU 19 HD11 LEU 19 11.543 -2.350 -4.082
149 2HD1 LEU 19 HD12 LEU 19 11.816 -0.737 -4.743
150 3HD1 LEU 19 HD13 LEU 19 10.472 -1.021 -3.637
151 1HD2 LEU 19 HD21 LEU 19 14.075 0.343 -2.372
152 2HD2 LEU 19 HD22 LEU 19 12.582 1.178 -2.801
153 3HD2 LEU 19 HD23 LEU 19 13.491 0.305 -4.035
154 H GLY 20 HN GLY 20 11.838 1.423 0.701
155 1HA GLY 20 HA2 GLY 20 14.278 2.754 -0.178
156 2HA GLY 20 HA1 GLY 20 13.000 3.478 0.803
157 H LYS 21 HN LYS 21 13.751 0.617 2.305
158 HA LYS 21 HA LYS 21 16.059 1.726 3.832
159 1HB LYS 21 HB2 LYS 21 13.829 2.455 4.796
160 2HB LYS 21 HB1 LYS 21 13.483 0.751 5.100
161 1HG LYS 21 HG2 LYS 21 16.104 1.291 6.089
162 2HG LYS 21 HG1 LYS 21 15.030 2.551 6.698
163 1HD LYS 21 HD2 LYS 21 13.413 0.605 7.269
164 2HD LYS 21 HD1 LYS 21 14.825 -0.433 7.074
165 1HE LYS 21 HE2 LYS 21 16.022 0.740 8.822
166 2HE LYS 21 HE1 LYS 21 14.757 1.982 8.917
167 1HZ LYS 21 HZ1 LYS 21 14.600 -0.869 9.674
168 2HZ LYS 21 HZ2 LYS 21 13.195 0.001 9.278
169 3HZ LYS 21 HZ3 LYS 21 14.163 0.495 10.583
170 1HN NH2 22 1HN NH2 22 17.326 -0.114 3.023
171 2HN NH2 22 2HN NH2 22 17.005 -1.704 3.524
Start of MODEL 12
1 1H SER 1 1H SER 1 -13.398 -4.778 -5.165
2 2H SER 1 2H SER 1 -14.439 -5.041 -6.480
3 3H SER 1 3H SER 1 -13.178 -6.133 -6.161
4 HA SER 1 HA SER 1 -15.801 -5.916 -4.918
5 1HB SER 1 HB2 SER 1 -13.732 -7.933 -5.742
6 2HB SER 1 HB1 SER 1 -15.005 -8.416 -4.624
7 HG SER 1 HG SER 1 -16.522 -7.701 -6.167
8 H GLY 2 HN GLY 2 -15.730 -4.992 -2.867
9 1HA GLY 2 HA2 GLY 2 -15.384 -5.323 -0.505
10 2HA GLY 2 HA1 GLY 2 -13.982 -6.327 -0.877
11 H SER 3 HN SER 3 -14.607 -3.601 0.640
12 HA SER 3 HA SER 3 -13.217 -1.448 -0.432
13 1HB SER 3 HB2 SER 3 -12.490 -1.256 2.129
14 2HB SER 3 HB1 SER 3 -14.173 -1.069 1.647
15 HG SER 3 HG SER 3 -13.088 -2.898 3.248
16 H LEU 4 HN LEU 4 -11.138 -1.194 -1.145
17 HA LEU 4 HA LEU 4 -9.020 -2.995 -0.014
18 1HB LEU 4 HB2 LEU 4 -8.130 -3.138 -2.313
19 2HB LEU 4 HB1 LEU 4 -9.803 -3.693 -2.264
20 HG LEU 4 HG LEU 4 -9.735 -0.839 -2.685
21 1HD1 LEU 4 HD11 LEU 4 -7.529 -1.196 -3.665
22 2HD1 LEU 4 HD12 LEU 4 -8.694 -0.900 -4.955
23 3HD1 LEU 4 HD13 LEU 4 -8.143 -2.542 -4.626
24 1HD2 LEU 4 HD21 LEU 4 -11.672 -1.842 -3.438
25 2HD2 LEU 4 HD22 LEU 4 -10.835 -3.307 -3.955
26 3HD2 LEU 4 HD23 LEU 4 -10.763 -1.853 -4.950
27 H SER 5 HN SER 5 -10.067 0.155 -0.401
28 HA SER 5 HA SER 5 -7.875 1.696 -1.210
29 1HB SER 5 HB2 SER 5 -9.825 2.120 1.077
30 2HB SER 5 HB1 SER 5 -8.851 3.390 0.341
31 HG SER 5 HG SER 5 -9.914 2.389 -1.693
32 H THR 6 HN THR 6 -8.575 1.247 2.266
33 HA THR 6 HA THR 6 -6.104 1.951 3.317
34 HB THR 6 HB THR 6 -6.868 -0.103 4.947
35 HG1 THR 6 HG1 THR 6 -9.330 0.289 4.595
36 1HG2 THR 6 HG21 THR 6 -8.427 2.480 4.733
37 2HG2 THR 6 HG22 THR 6 -6.782 2.405 5.364
38 3HG2 THR 6 HG23 THR 6 -8.083 1.545 6.188
39 H PHE 7 HN PHE 7 -7.064 -1.326 2.227
40 HA PHE 7 HA PHE 7 -4.687 -2.715 2.821
41 1HB PHE 7 HB2 PHE 7 -7.098 -3.169 1.543
42 2HB PHE 7 HB1 PHE 7 -5.929 -3.369 0.236
43 HD1 PHE 7 HD1 PHE 7 -6.634 -4.418 3.757
44 HD2 PHE 7 HD2 PHE 7 -4.668 -5.350 0.053
45 HE1 PHE 7 HE1 PHE 7 -6.023 -6.652 4.643
46 HE2 PHE 7 HE2 PHE 7 -4.056 -7.583 0.939
47 HZ PHE 7 HZ PHE 7 -4.734 -8.234 3.235
48 H PHE 8 HN PHE 8 -5.531 -1.287 -0.364
49 HA PHE 8 HA PHE 8 -3.038 -1.640 -1.628
50 1HB PHE 8 HB2 PHE 8 -5.433 -0.667 -2.317
51 2HB PHE 8 HB1 PHE 8 -4.603 0.870 -2.067
52 HD1 PHE 8 HD1 PHE 8 -4.357 -2.388 -3.874
53 HD2 PHE 8 HD2 PHE 8 -3.086 1.711 -3.675
54 HE1 PHE 8 HE1 PHE 8 -3.246 -2.625 -6.078
55 HE2 PHE 8 HE2 PHE 8 -1.974 1.473 -5.879
56 HZ PHE 8 HZ PHE 8 -2.055 -0.695 -7.081
57 H ARG 9 HN ARG 9 -4.182 1.226 0.198
58 HA ARG 9 HA ARG 9 -1.862 2.821 -0.020
59 1HB ARG 9 HB2 ARG 9 -4.298 3.022 1.129
60 2HB ARG 9 HB1 ARG 9 -3.328 2.733 2.573
61 1HG ARG 9 HG2 ARG 9 -2.473 4.785 0.540
62 2HG ARG 9 HG1 ARG 9 -3.651 5.191 1.788
63 1HD ARG 9 HD2 ARG 9 -2.049 4.502 3.541
64 2HD ARG 9 HD1 ARG 9 -0.859 4.094 2.288
65 HE ARG 9 HE ARG 9 -0.385 6.402 2.232
66 1HH1 ARG 9 HH11 ARG 9 -2.970 6.271 4.260
67 2HH1 ARG 9 HH12 ARG 9 -3.719 7.744 3.741
68 1HH2 ARG 9 HH21 ARG 9 -1.660 8.125 0.977
69 2HH2 ARG 9 HH22 ARG 9 -2.977 8.794 1.882
70 H LEU 10 HN LEU 10 -2.704 0.582 2.659
71 HA LEU 10 HA LEU 10 -0.297 0.801 4.124
72 1HB LEU 10 HB2 LEU 10 -2.670 -0.760 4.057
73 2HB LEU 10 HB1 LEU 10 -1.320 -1.893 4.141
74 HG LEU 10 HG LEU 10 -2.156 -1.122 6.392
75 1HD1 LEU 10 HD11 LEU 10 -0.060 -1.733 6.943
76 2HD1 LEU 10 HD12 LEU 10 0.440 -0.059 6.707
77 3HD1 LEU 10 HD13 LEU 10 0.550 -1.208 5.373
78 1HD2 LEU 10 HD21 LEU 10 -2.425 1.301 5.340
79 2HD2 LEU 10 HD22 LEU 10 -0.756 1.481 5.879
80 3HD2 LEU 10 HD23 LEU 10 -2.025 1.105 7.046
81 H PHE 11 HN PHE 11 -1.139 -1.605 1.600
82 HA PHE 11 HA PHE 11 1.286 -3.039 1.542
83 1HB PHE 11 HB2 PHE 11 -1.089 -3.039 0.207
84 2HB PHE 11 HB1 PHE 11 -0.018 -2.423 -1.050
85 HD1 PHE 11 HD1 PHE 11 0.480 -4.909 1.716
86 HD2 PHE 11 HD2 PHE 11 0.545 -4.154 -2.512
87 HE1 PHE 11 HE1 PHE 11 1.338 -7.202 1.320
88 HE2 PHE 11 HE2 PHE 11 1.404 -6.448 -2.908
89 HZ PHE 11 HZ PHE 11 1.800 -7.971 -0.992
90 H ASN 12 HN ASN 12 0.391 -0.160 -0.400
91 HA ASN 12 HA ASN 12 2.859 0.123 -1.788
92 1HB ASN 12 HB2 ASN 12 0.778 1.279 -2.367
93 2HB ASN 12 HB1 ASN 12 0.817 2.161 -0.839
94 1HD2 ASN 12 HD21 ASN 12 1.801 4.186 -0.934
95 2HD2 ASN 12 HD22 ASN 12 2.897 4.680 -2.132
96 H ARG 13 HN ARG 13 1.757 1.762 1.209
97 HA ARG 13 HA ARG 13 4.084 3.244 1.774
98 1HB ARG 13 HB2 ARG 13 1.751 3.118 2.899
99 2HB ARG 13 HB1 ARG 13 2.438 1.809 3.861
100 1HG ARG 13 HG2 ARG 13 3.562 4.618 3.653
101 2HG ARG 13 HG1 ARG 13 2.674 3.966 5.030
102 1HD ARG 13 HD2 ARG 13 4.449 2.153 5.192
103 2HD ARG 13 HD1 ARG 13 5.387 3.079 4.003
104 HE ARG 13 HE ARG 13 5.513 4.917 5.598
105 1HH1 ARG 13 HH11 ARG 13 6.328 2.477 7.228
106 2HH1 ARG 13 HH12 ARG 13 5.404 2.715 8.674
107 1HH2 ARG 13 HH21 ARG 13 3.284 5.061 7.250
108 2HH2 ARG 13 HH22 ARG 13 3.681 4.178 8.687
109 H SER 14 HN SER 14 3.267 -0.021 3.027
110 HA SER 14 HA SER 14 5.715 -0.532 4.357
111 1HB SER 14 HB2 SER 14 3.340 -1.791 3.996
112 2HB SER 14 HB1 SER 14 4.355 -2.760 2.931
113 HG SER 14 HG SER 14 4.207 -2.786 5.597
114 H PHE 15 HN PHE 15 4.768 -1.256 0.984
115 HA PHE 15 HA PHE 15 7.124 -2.599 0.164
116 1HB PHE 15 HB2 PHE 15 4.761 -1.388 -0.955
117 2HB PHE 15 HB1 PHE 15 6.152 -0.978 -1.959
118 HD1 PHE 15 HD1 PHE 15 3.663 -3.030 -2.283
119 HD2 PHE 15 HD2 PHE 15 7.860 -3.395 -1.445
120 HE1 PHE 15 HE1 PHE 15 3.654 -5.321 -3.232
121 HE2 PHE 15 HE2 PHE 15 7.851 -5.686 -2.395
122 HZ PHE 15 HZ PHE 15 5.747 -6.649 -3.289
123 H THR 16 HN THR 16 6.339 0.892 -0.121
124 HA THR 16 HA THR 16 8.846 1.719 -1.195
125 HB THR 16 HB THR 16 6.772 3.096 0.539
126 HG1 THR 16 HG1 THR 16 5.960 3.745 -1.391
127 1HG2 THR 16 HG21 THR 16 9.371 3.989 -0.087
128 2HG2 THR 16 HG22 THR 16 8.040 4.952 0.558
129 3HG2 THR 16 HG23 THR 16 8.291 4.848 -1.186
130 H GLN 17 HN GLN 17 7.706 1.681 2.204
131 HA GLN 17 HA GLN 17 10.133 2.645 3.371
132 1HB GLN 17 HB2 GLN 17 7.556 1.771 4.138
133 2HB GLN 17 HB1 GLN 17 8.694 0.775 5.046
134 1HG GLN 17 HG2 GLN 17 9.317 3.678 4.890
135 2HG GLN 17 HG1 GLN 17 7.925 3.226 5.876
136 1HE2 GLN 17 HE21 GLN 17 8.322 2.131 7.870
137 2HE2 GLN 17 HE22 GLN 17 9.882 1.794 8.448
138 H ALA 18 HN ALA 18 8.947 -0.689 2.837
139 HA ALA 18 HA ALA 18 11.182 -2.040 4.007
140 1HB ALA 18 HB1 ALA 18 10.191 -3.955 3.008
141 2HB ALA 18 HB2 ALA 18 9.539 -3.016 1.665
142 3HB ALA 18 HB3 ALA 18 8.836 -2.857 3.276
143 H LEU 19 HN LEU 19 10.456 -1.678 0.509
144 HA LEU 19 HA LEU 19 12.973 -2.512 -0.464
145 1HB LEU 19 HB2 LEU 19 10.590 -1.068 -1.380
146 2HB LEU 19 HB1 LEU 19 12.052 -0.588 -2.243
147 HG LEU 19 HG LEU 19 12.545 -3.022 -2.627
148 1HD1 LEU 19 HD11 LEU 19 9.722 -3.729 -2.069
149 2HD1 LEU 19 HD12 LEU 19 10.731 -3.467 -0.647
150 3HD1 LEU 19 HD13 LEU 19 11.187 -4.682 -1.841
151 1HD2 LEU 19 HD21 LEU 19 10.911 -3.275 -4.422
152 2HD2 LEU 19 HD22 LEU 19 11.382 -1.579 -4.313
153 3HD2 LEU 19 HD23 LEU 19 9.836 -2.109 -3.649
154 H GLY 20 HN GLY 20 11.986 0.568 0.909
155 1HA GLY 20 HA2 GLY 20 13.344 2.355 1.639
156 2HA GLY 20 HA1 GLY 20 14.759 1.428 1.128
157 H LYS 21 HN LYS 21 12.706 1.409 -1.477
158 HA LYS 21 HA LYS 21 14.299 3.484 -2.849
159 1HB LYS 21 HB2 LYS 21 13.186 1.025 -3.491
160 2HB LYS 21 HB1 LYS 21 12.106 2.169 -4.291
161 1HG LYS 21 HG2 LYS 21 13.757 2.962 -5.696
162 2HG LYS 21 HG1 LYS 21 15.047 2.629 -4.540
163 1HD LYS 21 HD2 LYS 21 14.573 0.148 -4.940
164 2HD LYS 21 HD1 LYS 21 13.594 0.661 -6.315
165 1HE LYS 21 HE2 LYS 21 16.294 1.884 -6.177
166 2HE LYS 21 HE1 LYS 21 16.258 0.142 -6.516
167 1HZ LYS 21 HZ1 LYS 21 14.964 2.341 -8.004
168 2HZ LYS 21 HZ2 LYS 21 14.345 0.761 -8.092
169 3HZ LYS 21 HZ3 LYS 21 15.935 1.084 -8.599
170 1HN NH2 22 1HN NH2 22 11.305 3.379 -1.165
171 2HN NH2 22 2HN NH2 22 10.599 4.766 -1.843
Start of MODEL 13
1 1H SER 1 1H SER 1 -19.663 -3.495 1.672
2 2H SER 1 2H SER 1 -18.470 -4.460 0.945
3 3H SER 1 3H SER 1 -19.970 -4.239 0.180
4 HA SER 1 HA SER 1 -19.477 -2.118 -0.527
5 1HB SER 1 HB2 SER 1 -17.406 -2.080 1.689
6 2HB SER 1 HB1 SER 1 -17.947 -0.699 0.738
7 HG SER 1 HG SER 1 -20.129 -1.397 1.587
8 H GLY 2 HN GLY 2 -16.553 -1.303 -0.425
9 1HA GLY 2 HA2 GLY 2 -14.906 -3.405 -1.425
10 2HA GLY 2 HA1 GLY 2 -15.664 -2.591 -2.795
11 H SER 3 HN SER 3 -14.145 -1.570 0.291
12 HA SER 3 HA SER 3 -12.823 0.651 -1.215
13 1HB SER 3 HB2 SER 3 -12.441 1.146 1.442
14 2HB SER 3 HB1 SER 3 -13.859 1.683 0.545
15 HG SER 3 HG SER 3 -13.537 -0.596 2.190
16 H LEU 4 HN LEU 4 -11.228 -1.061 -2.007
17 HA LEU 4 HA LEU 4 -9.458 -2.380 -0.131
18 1HB LEU 4 HB2 LEU 4 -9.264 -1.690 -3.081
19 2HB LEU 4 HB1 LEU 4 -8.157 -2.779 -2.243
20 HG LEU 4 HG LEU 4 -11.157 -3.148 -2.496
21 1HD1 LEU 4 HD11 LEU 4 -10.302 -5.257 -3.728
22 2HD1 LEU 4 HD12 LEU 4 -8.762 -4.404 -3.837
23 3HD1 LEU 4 HD13 LEU 4 -10.204 -3.718 -4.586
24 1HD2 LEU 4 HD21 LEU 4 -9.219 -4.197 -0.628
25 2HD2 LEU 4 HD22 LEU 4 -9.848 -5.504 -1.633
26 3HD2 LEU 4 HD23 LEU 4 -10.955 -4.496 -0.700
27 H SER 5 HN SER 5 -9.784 0.861 -0.912
28 HA SER 5 HA SER 5 -7.272 1.951 -1.362
29 1HB SER 5 HB2 SER 5 -9.748 2.837 -0.614
30 2HB SER 5 HB1 SER 5 -8.822 3.179 0.844
31 HG SER 5 HG SER 5 -7.676 3.830 -1.613
32 H THR 6 HN THR 6 -8.586 1.236 1.903
33 HA THR 6 HA THR 6 -6.337 1.814 3.454
34 HB THR 6 HB THR 6 -7.776 -0.684 4.124
35 HG1 THR 6 HG1 THR 6 -9.741 0.114 3.970
36 1HG2 THR 6 HG21 THR 6 -6.672 0.389 5.908
37 2HG2 THR 6 HG22 THR 6 -8.357 0.864 6.119
38 3HG2 THR 6 HG23 THR 6 -7.207 1.989 5.395
39 H PHE 7 HN PHE 7 -7.144 -1.491 2.308
40 HA PHE 7 HA PHE 7 -4.720 -2.748 2.966
41 1HB PHE 7 HB2 PHE 7 -7.047 -3.169 1.275
42 2HB PHE 7 HB1 PHE 7 -5.599 -3.850 0.532
43 HD1 PHE 7 HD1 PHE 7 -5.219 -6.085 1.032
44 HD2 PHE 7 HD2 PHE 7 -6.984 -3.546 4.014
45 HE1 PHE 7 HE1 PHE 7 -5.304 -7.996 2.610
46 HE2 PHE 7 HE2 PHE 7 -7.068 -5.458 5.592
47 HZ PHE 7 HZ PHE 7 -6.228 -7.682 4.890
48 H PHE 8 HN PHE 8 -5.575 -1.441 -0.269
49 HA PHE 8 HA PHE 8 -3.130 -1.770 -1.573
50 1HB PHE 8 HB2 PHE 8 -5.174 -0.942 -2.622
51 2HB PHE 8 HB1 PHE 8 -5.109 0.531 -1.655
52 HD1 PHE 8 HD1 PHE 8 -3.523 2.303 -2.152
53 HD2 PHE 8 HD2 PHE 8 -3.553 -1.335 -4.435
54 HE1 PHE 8 HE1 PHE 8 -2.068 3.362 -3.858
55 HE2 PHE 8 HE2 PHE 8 -2.098 -0.277 -6.141
56 HZ PHE 8 HZ PHE 8 -1.354 2.072 -5.853
57 H ARG 9 HN ARG 9 -4.116 1.224 0.152
58 HA ARG 9 HA ARG 9 -1.699 2.630 0.016
59 1HB ARG 9 HB2 ARG 9 -4.143 2.958 1.157
60 2HB ARG 9 HB1 ARG 9 -3.165 2.678 2.599
61 1HG ARG 9 HG2 ARG 9 -2.572 4.851 2.480
62 2HG ARG 9 HG1 ARG 9 -1.624 4.421 1.057
63 1HD ARG 9 HD2 ARG 9 -4.328 4.652 0.197
64 2HD ARG 9 HD1 ARG 9 -3.962 6.084 1.180
65 HE ARG 9 HE ARG 9 -1.711 5.916 -0.317
66 1HH1 ARG 9 HH11 ARG 9 -4.545 7.366 -0.861
67 2HH1 ARG 9 HH12 ARG 9 -4.573 7.196 -2.585
68 1HH2 ARG 9 HH21 ARG 9 -1.949 4.933 -2.673
69 2HH2 ARG 9 HH22 ARG 9 -3.104 5.819 -3.610
70 H LEU 10 HN LEU 10 -2.717 0.440 2.673
71 HA LEU 10 HA LEU 10 -0.387 0.516 4.236
72 1HB LEU 10 HB2 LEU 10 -2.681 -1.252 3.755
73 2HB LEU 10 HB1 LEU 10 -1.261 -2.115 4.344
74 HG LEU 10 HG LEU 10 -2.736 -1.264 6.184
75 1HD1 LEU 10 HD11 LEU 10 -0.915 -0.908 7.522
76 2HD1 LEU 10 HD12 LEU 10 -0.260 0.344 6.468
77 3HD1 LEU 10 HD13 LEU 10 -0.025 -1.357 6.068
78 1HD2 LEU 10 HD21 LEU 10 -3.491 0.860 6.143
79 2HD2 LEU 10 HD22 LEU 10 -2.696 1.073 4.583
80 3HD2 LEU 10 HD23 LEU 10 -1.841 1.478 6.072
81 H PHE 11 HN PHE 11 -1.122 -1.920 1.699
82 HA PHE 11 HA PHE 11 1.361 -3.248 1.679
83 1HB PHE 11 HB2 PHE 11 -0.965 -3.505 0.394
84 2HB PHE 11 HB1 PHE 11 -0.077 -2.677 -0.884
85 HD1 PHE 11 HD1 PHE 11 -1.118 -5.632 -0.792
86 HD2 PHE 11 HD2 PHE 11 2.688 -3.805 0.002
87 HE1 PHE 11 HE1 PHE 11 0.023 -7.755 -1.378
88 HE2 PHE 11 HE2 PHE 11 3.829 -5.928 -0.584
89 HZ PHE 11 HZ PHE 11 2.497 -7.903 -1.273
90 H ASN 12 HN ASN 12 0.356 -0.452 -0.331
91 HA ASN 12 HA ASN 12 2.796 -0.090 -1.734
92 1HB ASN 12 HB2 ASN 12 0.300 1.278 -1.223
93 2HB ASN 12 HB1 ASN 12 1.630 2.436 -1.226
94 1HD2 ASN 12 HD21 ASN 12 0.110 -0.139 -3.200
95 2HD2 ASN 12 HD22 ASN 12 0.707 0.429 -4.684
96 H ARG 13 HN ARG 13 1.707 1.364 1.351
97 HA ARG 13 HA ARG 13 3.996 2.980 1.843
98 1HB ARG 13 HB2 ARG 13 1.592 2.495 3.015
99 2HB ARG 13 HB1 ARG 13 2.658 1.638 4.130
100 1HG ARG 13 HG2 ARG 13 2.778 3.744 5.062
101 2HG ARG 13 HG1 ARG 13 4.089 3.883 3.890
102 1HD ARG 13 HD2 ARG 13 1.237 4.875 3.574
103 2HD ARG 13 HD1 ARG 13 2.725 5.843 3.587
104 HE ARG 13 HE ARG 13 1.944 3.953 1.411
105 1HH1 ARG 13 HH11 ARG 13 4.809 5.106 2.519
106 2HH1 ARG 13 HH12 ARG 13 5.211 6.054 1.126
107 1HH2 ARG 13 HH21 ARG 13 2.070 5.752 -0.313
108 2HH2 ARG 13 HH22 ARG 13 3.661 6.419 -0.477
109 H SER 14 HN SER 14 3.279 -0.344 2.985
110 HA SER 14 HA SER 14 5.720 -0.790 4.372
111 1HB SER 14 HB2 SER 14 3.380 -2.204 3.526
112 2HB SER 14 HB1 SER 14 4.784 -3.189 3.124
113 HG SER 14 HG SER 14 5.474 -2.638 5.364
114 H PHE 15 HN PHE 15 4.839 -1.658 1.006
115 HA PHE 15 HA PHE 15 7.321 -2.788 0.233
116 1HB PHE 15 HB2 PHE 15 4.861 -2.278 -0.879
117 2HB PHE 15 HB1 PHE 15 5.891 -1.162 -1.776
118 HD1 PHE 15 HD1 PHE 15 6.135 -4.675 -0.455
119 HD2 PHE 15 HD2 PHE 15 6.773 -1.999 -3.755
120 HE1 PHE 15 HE1 PHE 15 6.994 -6.559 -1.818
121 HE2 PHE 15 HE2 PHE 15 7.633 -3.883 -5.117
122 HZ PHE 15 HZ PHE 15 7.743 -6.165 -4.149
123 H THR 16 HN THR 16 6.196 0.603 0.002
124 HA THR 16 HA THR 16 8.581 1.644 -1.210
125 HB THR 16 HB THR 16 6.393 2.844 0.513
126 HG1 THR 16 HG1 THR 16 6.806 2.333 -2.188
127 1HG2 THR 16 HG21 THR 16 7.468 4.858 -1.074
128 2HG2 THR 16 HG22 THR 16 8.886 3.993 -0.479
129 3HG2 THR 16 HG23 THR 16 7.719 4.663 0.661
130 H GLN 17 HN GLN 17 7.479 1.813 2.204
131 HA GLN 17 HA GLN 17 9.768 2.995 3.333
132 1HB GLN 17 HB2 GLN 17 7.514 2.418 4.367
133 2HB GLN 17 HB1 GLN 17 8.111 0.769 4.552
134 1HG GLN 17 HG2 GLN 17 10.189 2.143 5.624
135 2HG GLN 17 HG1 GLN 17 8.858 3.225 6.036
136 1HE2 GLN 17 HE21 GLN 17 7.199 2.422 7.500
137 2HE2 GLN 17 HE22 GLN 17 7.415 0.997 8.395
138 H ALA 18 HN ALA 18 9.137 -0.465 2.698
139 HA ALA 18 HA ALA 18 11.596 -1.435 3.841
140 1HB ALA 18 HB1 ALA 18 9.799 -2.952 3.536
141 2HB ALA 18 HB2 ALA 18 10.960 -3.417 2.294
142 3HB ALA 18 HB3 ALA 18 9.550 -2.449 1.864
143 H LEU 19 HN LEU 19 10.641 -0.868 0.429
144 HA LEU 19 HA LEU 19 13.078 -1.520 -0.821
145 1HB LEU 19 HB2 LEU 19 10.892 0.493 -1.377
146 2HB LEU 19 HB1 LEU 19 12.227 0.245 -2.505
147 HG LEU 19 HG LEU 19 10.797 -2.176 -1.503
148 1HD1 LEU 19 HD11 LEU 19 9.170 -0.221 -2.286
149 2HD1 LEU 19 HD12 LEU 19 8.888 -1.891 -2.784
150 3HD1 LEU 19 HD13 LEU 19 9.672 -0.761 -3.888
151 1HD2 LEU 19 HD21 LEU 19 11.962 -3.099 -3.199
152 2HD2 LEU 19 HD22 LEU 19 12.727 -1.533 -3.463
153 3HD2 LEU 19 HD23 LEU 19 11.264 -1.960 -4.350
154 H GLY 20 HN GLY 20 12.090 1.544 0.709
155 1HA GLY 20 HA2 GLY 20 13.818 2.878 1.873
156 2HA GLY 20 HA1 GLY 20 14.958 2.384 0.619
157 H LYS 21 HN LYS 21 12.096 2.939 -0.963
158 HA LYS 21 HA LYS 21 12.633 5.866 -1.302
159 1HB LYS 21 HB2 LYS 21 13.571 3.988 -3.007
160 2HB LYS 21 HB1 LYS 21 11.963 4.222 -3.692
161 1HG LYS 21 HG2 LYS 21 13.892 6.479 -3.080
162 2HG LYS 21 HG1 LYS 21 13.693 5.752 -4.674
163 1HD LYS 21 HD2 LYS 21 11.428 6.483 -4.837
164 2HD LYS 21 HD1 LYS 21 11.364 6.897 -3.123
165 1HE LYS 21 HE2 LYS 21 12.075 8.992 -3.600
166 2HE LYS 21 HE1 LYS 21 13.548 8.330 -4.338
167 1HZ LYS 21 HZ1 LYS 21 10.957 8.221 -5.750
168 2HZ LYS 21 HZ2 LYS 21 12.524 8.113 -6.396
169 3HZ LYS 21 HZ3 LYS 21 11.931 9.606 -5.843
170 1HN NH2 22 1HN NH2 22 10.647 6.824 -0.751
171 2HN NH2 22 2HN NH2 22 9.121 6.234 -1.203
Start of MODEL 14
1 1H SER 1 1H SER 1 -10.336 2.687 -9.107
2 2H SER 1 2H SER 1 -8.896 1.838 -9.410
3 3H SER 1 3H SER 1 -8.977 2.951 -8.128
4 HA SER 1 HA SER 1 -10.099 0.233 -8.299
5 1HB SER 1 HB2 SER 1 -8.638 1.925 -6.247
6 2HB SER 1 HB1 SER 1 -9.092 0.240 -6.013
7 HG SER 1 HG SER 1 -7.614 1.050 -8.272
8 H GLY 2 HN GLY 2 -10.308 2.921 -5.947
9 1HA GLY 2 HA2 GLY 2 -12.211 3.896 -4.945
10 2HA GLY 2 HA1 GLY 2 -13.214 3.035 -6.114
11 H SER 3 HN SER 3 -10.918 1.158 -4.344
12 HA SER 3 HA SER 3 -12.693 0.483 -2.121
13 1HB SER 3 HB2 SER 3 -12.676 -1.984 -3.243
14 2HB SER 3 HB1 SER 3 -13.971 -0.821 -3.515
15 HG SER 3 HG SER 3 -13.076 -1.697 -5.463
16 H LEU 4 HN LEU 4 -11.702 -1.217 -0.748
17 HA LEU 4 HA LEU 4 -9.829 -2.210 0.299
18 1HB LEU 4 HB2 LEU 4 -9.956 -2.978 -2.360
19 2HB LEU 4 HB1 LEU 4 -8.294 -2.407 -2.200
20 HG LEU 4 HG LEU 4 -8.844 -3.916 0.131
21 1HD1 LEU 4 HD11 LEU 4 -9.181 -5.995 -1.800
22 2HD1 LEU 4 HD12 LEU 4 -10.455 -4.803 -2.059
23 3HD1 LEU 4 HD13 LEU 4 -10.259 -5.555 -0.476
24 1HD2 LEU 4 HD21 LEU 4 -6.707 -3.600 -1.251
25 2HD2 LEU 4 HD22 LEU 4 -7.334 -4.859 -2.316
26 3HD2 LEU 4 HD23 LEU 4 -6.993 -5.223 -0.625
27 H SER 5 HN SER 5 -9.872 0.804 -0.684
28 HA SER 5 HA SER 5 -7.364 1.823 -1.267
29 1HB SER 5 HB2 SER 5 -8.968 3.455 -1.003
30 2HB SER 5 HB1 SER 5 -9.701 2.650 0.382
31 HG SER 5 HG SER 5 -7.240 4.073 0.335
32 H THR 6 HN THR 6 -8.531 1.177 2.068
33 HA THR 6 HA THR 6 -6.221 1.749 3.518
34 HB THR 6 HB THR 6 -8.181 -0.548 3.840
35 HG1 THR 6 HG1 THR 6 -9.486 1.012 4.282
36 1HG2 THR 6 HG21 THR 6 -7.128 -1.080 5.753
37 2HG2 THR 6 HG22 THR 6 -7.159 0.601 6.288
38 3HG2 THR 6 HG23 THR 6 -5.830 0.018 5.285
39 H PHE 7 HN PHE 7 -7.054 -1.596 2.528
40 HA PHE 7 HA PHE 7 -4.616 -2.838 3.041
41 1HB PHE 7 HB2 PHE 7 -6.607 -3.203 0.782
42 2HB PHE 7 HB1 PHE 7 -5.339 -4.371 1.159
43 HD1 PHE 7 HD1 PHE 7 -8.561 -2.983 2.170
44 HD2 PHE 7 HD2 PHE 7 -5.324 -5.546 3.356
45 HE1 PHE 7 HE1 PHE 7 -9.987 -3.962 3.946
46 HE2 PHE 7 HE2 PHE 7 -6.751 -6.526 5.131
47 HZ PHE 7 HZ PHE 7 -9.083 -5.734 5.427
48 H PHE 8 HN PHE 8 -5.561 -1.491 -0.151
49 HA PHE 8 HA PHE 8 -3.118 -1.806 -1.494
50 1HB PHE 8 HB2 PHE 8 -5.305 -1.032 -2.423
51 2HB PHE 8 HB1 PHE 8 -5.059 0.526 -1.636
52 HD1 PHE 8 HD1 PHE 8 -2.981 1.883 -2.235
53 HD2 PHE 8 HD2 PHE 8 -4.299 -1.511 -4.514
54 HE1 PHE 8 HE1 PHE 8 -1.609 2.641 -4.158
55 HE2 PHE 8 HE2 PHE 8 -2.928 -0.753 -6.436
56 HZ PHE 8 HZ PHE 8 -1.583 1.323 -6.258
57 H ARG 9 HN ARG 9 -4.186 1.137 0.267
58 HA ARG 9 HA ARG 9 -1.867 2.683 0.044
59 1HB ARG 9 HB2 ARG 9 -3.895 2.289 2.254
60 2HB ARG 9 HB1 ARG 9 -2.653 3.539 2.343
61 1HG ARG 9 HG2 ARG 9 -3.912 3.590 -0.256
62 2HG ARG 9 HG1 ARG 9 -5.137 3.699 1.010
63 1HD ARG 9 HD2 ARG 9 -4.255 5.693 1.874
64 2HD ARG 9 HD1 ARG 9 -2.646 5.390 1.189
65 HE ARG 9 HE ARG 9 -4.214 5.515 -1.055
66 1HH1 ARG 9 HH21 ARG 9 -5.778 7.227 1.127
67 2HH1 ARG 9 HH22 ARG 9 -5.351 8.812 0.573
68 1HH2 ARG 9 HH11 ARG 9 -2.829 7.687 -1.526
69 2HH2 ARG 9 HH12 ARG 9 -3.681 9.072 -0.929
70 H LEU 10 HN LEU 10 -2.613 0.436 2.746
71 HA LEU 10 HA LEU 10 -0.145 0.621 4.105
72 1HB LEU 10 HB2 LEU 10 -2.518 -0.996 4.056
73 2HB LEU 10 HB1 LEU 10 -1.117 -2.058 4.214
74 HG LEU 10 HG LEU 10 -0.328 -0.842 6.149
75 1HD1 LEU 10 HD11 LEU 10 -0.789 1.420 5.707
76 2HD1 LEU 10 HD12 LEU 10 -1.921 1.039 7.005
77 3HD1 LEU 10 HD13 LEU 10 -2.483 1.099 5.334
78 1HD2 LEU 10 HD21 LEU 10 -2.591 -2.370 6.125
79 2HD2 LEU 10 HD22 LEU 10 -3.204 -0.887 6.859
80 3HD2 LEU 10 HD23 LEU 10 -1.849 -1.743 7.596
81 H PHE 11 HN PHE 11 -1.096 -1.615 1.478
82 HA PHE 11 HA PHE 11 1.295 -3.136 1.346
83 1HB PHE 11 HB2 PHE 11 -1.030 -3.324 0.171
84 2HB PHE 11 HB1 PHE 11 -0.307 -2.293 -1.064
85 HD1 PHE 11 HD1 PHE 11 0.956 -3.261 -2.779
86 HD2 PHE 11 HD2 PHE 11 0.387 -5.413 0.895
87 HE1 PHE 11 HE1 PHE 11 2.104 -5.231 -3.755
88 HE2 PHE 11 HE2 PHE 11 1.536 -7.383 -0.081
89 HZ PHE 11 HZ PHE 11 2.394 -7.292 -2.406
90 H ASN 12 HN ASN 12 0.393 -0.316 -0.688
91 HA ASN 12 HA ASN 12 2.872 -0.010 -2.017
92 1HB ASN 12 HB2 ASN 12 0.392 1.247 -1.863
93 2HB ASN 12 HB1 ASN 12 1.519 2.493 -1.326
94 1HD2 ASN 12 HD21 ASN 12 2.078 3.767 -3.094
95 2HD2 ASN 12 HD22 ASN 12 2.422 3.180 -4.650
96 H ARG 13 HN ARG 13 1.729 1.734 0.906
97 HA ARG 13 HA ARG 13 4.107 3.164 1.456
98 1HB ARG 13 HB2 ARG 13 1.945 3.556 2.536
99 2HB ARG 13 HB1 ARG 13 2.012 1.965 3.296
100 1HG ARG 13 HG2 ARG 13 3.967 2.607 4.589
101 2HG ARG 13 HG1 ARG 13 4.056 4.157 3.751
102 1HD ARG 13 HD2 ARG 13 2.873 4.855 5.613
103 2HD ARG 13 HD1 ARG 13 1.497 4.274 4.654
104 HE ARG 13 HE ARG 13 2.244 1.973 5.851
105 1HH1 ARG 13 HH21 ARG 13 1.089 4.994 6.893
106 2HH1 ARG 13 HH22 ARG 13 1.066 4.581 8.574
107 1HH2 ARG 13 HH11 ARG 13 2.588 1.500 8.111
108 2HH2 ARG 13 HH12 ARG 13 1.915 2.603 9.264
109 H SER 14 HN SER 14 3.094 -0.056 2.654
110 HA SER 14 HA SER 14 5.342 -0.622 4.279
111 1HB SER 14 HB2 SER 14 3.307 -1.960 4.243
112 2HB SER 14 HB1 SER 14 3.572 -2.384 2.554
113 HG SER 14 HG SER 14 4.566 -4.035 3.421
114 H PHE 15 HN PHE 15 4.819 -1.551 0.850
115 HA PHE 15 HA PHE 15 7.357 -2.717 0.380
116 1HB PHE 15 HB2 PHE 15 5.464 -2.905 -1.139
117 2HB PHE 15 HB1 PHE 15 5.461 -1.162 -1.407
118 HD1 PHE 15 HD1 PHE 15 8.369 -3.497 -1.198
119 HD2 PHE 15 HD2 PHE 15 6.004 -0.922 -3.694
120 HE1 PHE 15 HE1 PHE 15 10.008 -3.775 -3.038
121 HE2 PHE 15 HE2 PHE 15 7.643 -1.200 -5.534
122 HZ PHE 15 HZ PHE 15 9.645 -2.627 -5.206
123 H THR 16 HN THR 16 6.305 0.659 -0.226
124 HA THR 16 HA THR 16 8.776 1.679 -1.166
125 HB THR 16 HB THR 16 6.549 2.938 0.468
126 HG1 THR 16 HG1 THR 16 7.051 3.043 -2.313
127 1HG2 THR 16 HG21 THR 16 8.099 4.613 -1.391
128 2HG2 THR 16 HG22 THR 16 9.019 4.042 0.001
129 3HG2 THR 16 HG23 THR 16 7.538 4.967 0.244
130 H GLN 17 HN GLN 17 7.517 1.496 2.179
131 HA GLN 17 HA GLN 17 9.715 2.774 3.472
132 1HB GLN 17 HB2 GLN 17 7.279 1.709 4.148
133 2HB GLN 17 HB1 GLN 17 8.382 0.540 4.874
134 1HG GLN 17 HG2 GLN 17 9.633 2.689 5.736
135 2HG GLN 17 HG1 GLN 17 8.073 3.467 5.462
136 1HE2 GLN 17 HE21 GLN 17 6.146 1.949 6.377
137 2HE2 GLN 17 HE22 GLN 17 6.414 1.359 7.946
138 H ALA 18 HN ALA 18 9.074 -0.722 2.976
139 HA ALA 18 HA ALA 18 11.493 -1.689 4.124
140 1HB ALA 18 HB1 ALA 18 10.803 -3.734 3.179
141 2HB ALA 18 HB2 ALA 18 10.115 -2.948 1.759
142 3HB ALA 18 HB3 ALA 18 9.289 -2.840 3.313
143 H LEU 19 HN LEU 19 10.728 -0.711 0.780
144 HA LEU 19 HA LEU 19 13.163 -1.496 -0.459
145 1HB LEU 19 HB2 LEU 19 11.119 -0.778 -1.628
146 2HB LEU 19 HB1 LEU 19 11.310 0.852 -0.982
147 HG LEU 19 HG LEU 19 13.610 -0.336 -2.476
148 1HD1 LEU 19 HD11 LEU 19 11.277 0.972 -3.892
149 2HD1 LEU 19 HD12 LEU 19 11.476 -0.778 -3.801
150 3HD1 LEU 19 HD13 LEU 19 12.689 0.206 -4.619
151 1HD2 LEU 19 HD21 LEU 19 13.269 2.239 -3.301
152 2HD2 LEU 19 HD22 LEU 19 14.207 1.788 -1.878
153 3HD2 LEU 19 HD23 LEU 19 12.533 2.315 -1.701
154 H GLY 20 HN GLY 20 12.268 1.752 0.787
155 1HA GLY 20 HA2 GLY 20 15.085 2.601 0.640
156 2HA GLY 20 HA1 GLY 20 13.723 3.609 1.136
157 H LYS 21 HN LYS 21 13.374 0.765 2.809
158 HA LYS 21 HA LYS 21 13.805 0.167 5.053
159 1HB LYS 21 HB2 LYS 21 16.254 1.361 3.916
160 2HB LYS 21 HB1 LYS 21 16.195 1.370 5.679
161 1HG LYS 21 HG2 LYS 21 15.275 -1.164 4.543
162 2HG LYS 21 HG1 LYS 21 16.942 -0.789 4.100
163 1HD LYS 21 HD2 LYS 21 17.558 -1.514 6.142
164 2HD LYS 21 HD1 LYS 21 16.746 -0.098 6.812
165 1HE LYS 21 HE2 LYS 21 15.032 -2.446 6.104
166 2HE LYS 21 HE1 LYS 21 16.036 -2.565 7.563
167 1HZ LYS 21 HZ1 LYS 21 13.878 -0.682 6.944
168 2HZ LYS 21 HZ2 LYS 21 15.179 -0.118 7.879
169 3HZ LYS 21 HZ3 LYS 21 14.256 -1.441 8.413
170 1HN NH2 22 1HN NH2 22 12.790 3.108 4.167
171 2HN NH2 22 2HN NH2 22 12.798 3.933 5.650
Start of MODEL 15
1 1H SER 1 1H SER 1 -17.965 -5.436 0.552
2 2H SER 1 2H SER 1 -18.832 -5.849 1.953
3 3H SER 1 3H SER 1 -17.317 -6.555 1.650
4 HA SER 1 HA SER 1 -17.412 -3.633 1.814
5 1HB SER 1 HB2 SER 1 -17.287 -5.238 4.337
6 2HB SER 1 HB1 SER 1 -17.855 -3.589 4.092
7 HG SER 1 HG SER 1 -19.196 -5.982 3.917
8 H GLY 2 HN GLY 2 -15.514 -3.558 3.902
9 1HA GLY 2 HA2 GLY 2 -13.326 -4.471 4.497
10 2HA GLY 2 HA1 GLY 2 -13.289 -5.291 2.935
11 H SER 3 HN SER 3 -14.023 -3.174 1.248
12 HA SER 3 HA SER 3 -13.073 -1.322 0.126
13 1HB SER 3 HB2 SER 3 -11.890 -0.542 2.782
14 2HB SER 3 HB1 SER 3 -12.586 0.492 1.539
15 HG SER 3 HG SER 3 -13.842 -1.120 3.464
16 H LEU 4 HN LEU 4 -11.269 -1.447 -1.150
17 HA LEU 4 HA LEU 4 -8.896 -2.918 -0.188
18 1HB LEU 4 HB2 LEU 4 -10.132 -3.062 -2.472
19 2HB LEU 4 HB1 LEU 4 -9.274 -1.571 -2.862
20 HG LEU 4 HG LEU 4 -7.753 -3.914 -1.756
21 1HD1 LEU 4 HD11 LEU 4 -9.071 -3.707 -4.398
22 2HD1 LEU 4 HD12 LEU 4 -8.496 -5.135 -3.535
23 3HD1 LEU 4 HD13 LEU 4 -7.361 -4.141 -4.448
24 1HD2 LEU 4 HD21 LEU 4 -6.028 -2.527 -2.173
25 2HD2 LEU 4 HD22 LEU 4 -7.168 -1.297 -2.717
26 3HD2 LEU 4 HD23 LEU 4 -6.490 -2.442 -3.873
27 H SER 5 HN SER 5 -9.926 0.368 -0.604
28 HA SER 5 HA SER 5 -7.674 1.853 -1.187
29 1HB SER 5 HB2 SER 5 -8.649 3.522 0.383
30 2HB SER 5 HB1 SER 5 -9.886 2.754 -0.608
31 HG SER 5 HG SER 5 -9.876 2.893 1.962
32 H THR 6 HN THR 6 -8.492 1.206 2.237
33 HA THR 6 HA THR 6 -6.059 1.836 3.417
34 HB THR 6 HB THR 6 -6.811 -0.185 4.976
35 HG1 THR 6 HG1 THR 6 -9.082 -0.534 4.574
36 1HG2 THR 6 HG21 THR 6 -8.547 2.249 4.473
37 2HG2 THR 6 HG22 THR 6 -7.098 2.216 5.478
38 3HG2 THR 6 HG23 THR 6 -8.521 1.289 5.953
39 H PHE 7 HN PHE 7 -6.979 -1.438 2.267
40 HA PHE 7 HA PHE 7 -4.551 -2.769 2.764
41 1HB PHE 7 HB2 PHE 7 -6.984 -3.295 1.590
42 2HB PHE 7 HB1 PHE 7 -5.887 -3.410 0.212
43 HD1 PHE 7 HD1 PHE 7 -5.240 -5.599 -0.224
44 HD2 PHE 7 HD2 PHE 7 -5.665 -4.315 3.853
45 HE1 PHE 7 HE1 PHE 7 -4.488 -7.831 0.557
46 HE2 PHE 7 HE2 PHE 7 -4.914 -6.547 4.634
47 HZ PHE 7 HZ PHE 7 -4.325 -8.304 2.986
48 H PHE 8 HN PHE 8 -5.514 -0.976 -0.185
49 HA PHE 8 HA PHE 8 -3.124 -1.402 -1.674
50 1HB PHE 8 HB2 PHE 8 -5.248 -0.527 -2.567
51 2HB PHE 8 HB1 PHE 8 -5.058 0.940 -1.605
52 HD1 PHE 8 HD1 PHE 8 -2.925 -1.123 -3.915
53 HD2 PHE 8 HD2 PHE 8 -4.284 2.789 -2.775
54 HE1 PHE 8 HE1 PHE 8 -1.545 -0.118 -5.715
55 HE2 PHE 8 HE2 PHE 8 -2.904 3.794 -4.575
56 HZ PHE 8 HZ PHE 8 -1.535 2.339 -6.045
57 H ARG 9 HN ARG 9 -4.048 1.454 0.299
58 HA ARG 9 HA ARG 9 -1.609 2.870 0.094
59 1HB ARG 9 HB2 ARG 9 -4.023 3.250 1.240
60 2HB ARG 9 HB1 ARG 9 -3.084 2.865 2.683
61 1HG ARG 9 HG2 ARG 9 -2.998 5.263 2.349
62 2HG ARG 9 HG1 ARG 9 -1.408 4.598 1.976
63 1HD ARG 9 HD2 ARG 9 -1.726 5.940 0.098
64 2HD ARG 9 HD1 ARG 9 -2.477 4.440 -0.484
65 HE ARG 9 HE ARG 9 -4.374 6.022 1.015
66 1HH1 ARG 9 HH21 ARG 9 -3.197 7.997 -0.941
67 2HH1 ARG 9 HH22 ARG 9 -4.237 7.795 -2.312
68 1HH2 ARG 9 HH11 ARG 9 -5.535 4.772 -1.215
69 2HH2 ARG 9 HH12 ARG 9 -5.560 5.969 -2.467
70 H LEU 10 HN LEU 10 -2.613 0.475 2.560
71 HA LEU 10 HA LEU 10 -0.251 0.551 4.146
72 1HB LEU 10 HB2 LEU 10 -2.659 -1.008 3.813
73 2HB LEU 10 HB1 LEU 10 -1.292 -2.085 4.100
74 HG LEU 10 HG LEU 10 -2.396 -1.314 6.213
75 1HD1 LEU 10 HD11 LEU 10 -0.208 -1.961 6.635
76 2HD1 LEU 10 HD12 LEU 10 -0.136 -0.270 7.130
77 3HD1 LEU 10 HD13 LEU 10 0.468 -0.751 5.545
78 1HD2 LEU 10 HD21 LEU 10 -2.493 0.935 6.816
79 2HD2 LEU 10 HD22 LEU 10 -2.754 1.045 5.076
80 3HD2 LEU 10 HD23 LEU 10 -1.160 1.382 5.751
81 H PHE 11 HN PHE 11 -1.096 -1.569 1.386
82 HA PHE 11 HA PHE 11 1.307 -3.105 1.361
83 1HB PHE 11 HB2 PHE 11 -0.812 -3.604 0.157
84 2HB PHE 11 HB1 PHE 11 -0.503 -2.241 -0.920
85 HD1 PHE 11 HD1 PHE 11 1.341 -2.303 -2.544
86 HD2 PHE 11 HD2 PHE 11 0.489 -5.655 0.002
87 HE1 PHE 11 HE1 PHE 11 2.765 -3.748 -3.970
88 HE2 PHE 11 HE2 PHE 11 1.912 -7.100 -1.424
89 HZ PHE 11 HZ PHE 11 3.050 -6.147 -3.410
90 H ASN 12 HN ASN 12 0.433 -0.224 -0.595
91 HA ASN 12 HA ASN 12 2.945 0.071 -1.908
92 1HB ASN 12 HB2 ASN 12 0.608 1.822 -1.199
93 2HB ASN 12 HB1 ASN 12 2.037 2.553 -1.930
94 1HD2 ASN 12 HD21 ASN 12 2.875 0.844 -3.849
95 2HD2 ASN 12 HD22 ASN 12 1.645 0.478 -4.959
96 H ARG 13 HN ARG 13 1.742 1.453 1.159
97 HA ARG 13 HA ARG 13 4.024 3.091 1.723
98 1HB ARG 13 HB2 ARG 13 1.814 1.786 3.307
99 2HB ARG 13 HB1 ARG 13 3.071 2.716 4.125
100 1HG ARG 13 HG2 ARG 13 1.491 3.823 1.795
101 2HG ARG 13 HG1 ARG 13 0.978 4.023 3.471
102 1HD ARG 13 HD2 ARG 13 3.786 4.696 3.218
103 2HD ARG 13 HD1 ARG 13 2.814 5.648 2.078
104 HE ARG 13 HE ARG 13 1.877 5.406 4.895
105 1HH1 ARG 13 HH11 ARG 13 4.233 7.318 4.214
106 2HH1 ARG 13 HH12 ARG 13 3.373 8.814 4.062
107 1HH2 ARG 13 HH21 ARG 13 0.257 7.308 3.854
108 2HH2 ARG 13 HH22 ARG 13 1.122 8.808 3.857
109 H SER 14 HN SER 14 3.159 -0.135 3.042
110 HA SER 14 HA SER 14 5.555 -0.608 4.473
111 1HB SER 14 HB2 SER 14 4.828 -2.959 4.328
112 2HB SER 14 HB1 SER 14 3.441 -1.907 4.599
113 HG SER 14 HG SER 14 2.703 -2.411 2.690
114 H PHE 15 HN PHE 15 4.729 -1.497 1.102
115 HA PHE 15 HA PHE 15 7.193 -2.785 0.459
116 1HB PHE 15 HB2 PHE 15 5.271 -3.041 -0.940
117 2HB PHE 15 HB1 PHE 15 5.084 -1.297 -1.120
118 HD1 PHE 15 HD1 PHE 15 5.547 -0.632 -3.305
119 HD2 PHE 15 HD2 PHE 15 8.002 -3.637 -1.459
120 HE1 PHE 15 HE1 PHE 15 7.000 -0.680 -5.314
121 HE2 PHE 15 HE2 PHE 15 9.453 -3.686 -3.469
122 HZ PHE 15 HZ PHE 15 8.952 -2.207 -5.397
123 H THR 16 HN THR 16 6.153 0.596 -0.145
124 HA THR 16 HA THR 16 8.553 1.540 -1.317
125 HB THR 16 HB THR 16 6.370 2.789 0.361
126 HG1 THR 16 HG1 THR 16 5.671 3.472 -1.615
127 1HG2 THR 16 HG21 THR 16 8.952 3.918 -0.445
128 2HG2 THR 16 HG22 THR 16 7.771 4.528 0.714
129 3HG2 THR 16 HG23 THR 16 7.573 4.864 -1.006
130 H GLN 17 HN GLN 17 7.539 1.856 2.114
131 HA GLN 17 HA GLN 17 10.004 2.907 3.083
132 1HB GLN 17 HB2 GLN 17 7.622 1.463 4.200
133 2HB GLN 17 HB1 GLN 17 9.013 1.738 5.249
134 1HG GLN 17 HG2 GLN 17 8.738 4.025 5.252
135 2HG GLN 17 HG1 GLN 17 8.039 4.049 3.633
136 1HE2 GLN 17 HE21 GLN 17 6.517 5.538 5.171
137 2HE2 GLN 17 HE22 GLN 17 5.157 4.729 5.786
138 H ALA 18 HN ALA 18 8.850 -0.460 2.807
139 HA ALA 18 HA ALA 18 11.043 -1.733 4.112
140 1HB ALA 18 HB1 ALA 18 9.089 -2.992 3.682
141 2HB ALA 18 HB2 ALA 18 10.255 -3.647 2.532
142 3HB ALA 18 HB3 ALA 18 9.036 -2.493 1.991
143 H LEU 19 HN LEU 19 10.486 -1.626 0.570
144 HA LEU 19 HA LEU 19 13.077 -2.428 -0.216
145 1HB LEU 19 HB2 LEU 19 10.690 -1.169 -1.348
146 2HB LEU 19 HB1 LEU 19 12.167 -0.652 -2.163
147 HG LEU 19 HG LEU 19 11.206 -2.698 -3.195
148 1HD1 LEU 19 HD11 LEU 19 13.269 -3.786 -3.449
149 2HD1 LEU 19 HD12 LEU 19 13.727 -3.516 -1.767
150 3HD1 LEU 19 HD13 LEU 19 13.754 -2.177 -2.914
151 1HD2 LEU 19 HD21 LEU 19 11.455 -3.645 -0.357
152 2HD2 LEU 19 HD22 LEU 19 11.651 -4.811 -1.666
153 3HD2 LEU 19 HD23 LEU 19 10.145 -3.906 -1.508
154 H GLY 20 HN GLY 20 12.002 0.608 1.086
155 1HA GLY 20 HA2 GLY 20 14.209 2.190 0.011
156 2HA GLY 20 HA1 GLY 20 13.080 2.707 1.265
157 H LYS 21 HN LYS 21 14.169 -0.273 2.234
158 HA LYS 21 HA LYS 21 15.504 0.481 4.534
159 1HB LYS 21 HB2 LYS 21 15.604 -1.839 2.658
160 2HB LYS 21 HB1 LYS 21 16.841 -1.766 3.914
161 1HG LYS 21 HG2 LYS 21 15.346 -2.154 5.591
162 2HG LYS 21 HG1 LYS 21 14.088 -1.183 4.827
163 1HD LYS 21 HD2 LYS 21 13.100 -3.061 4.084
164 2HD LYS 21 HD1 LYS 21 14.552 -3.449 3.161
165 1HE LYS 21 HE2 LYS 21 15.531 -4.448 5.273
166 2HE LYS 21 HE1 LYS 21 13.936 -4.245 6.023
167 1HZ LYS 21 HZ1 LYS 21 14.547 -5.755 3.538
168 2HZ LYS 21 HZ2 LYS 21 12.978 -5.448 4.113
169 3HZ LYS 21 HZ3 LYS 21 14.044 -6.411 5.019
170 1HN NH2 22 1HN NH2 22 17.318 -0.461 1.543
171 2HN NH2 22 2HN NH2 22 18.639 0.564 1.838
Start of MODEL 16
1 1H SER 1 1H SER 1 -16.051 2.177 -4.919
2 2H SER 1 2H SER 1 -15.440 2.056 -6.499
3 3H SER 1 3H SER 1 -15.638 3.581 -5.776
4 HA SER 1 HA SER 1 -13.281 2.493 -5.867
5 1HB SER 1 HB2 SER 1 -12.817 3.837 -3.865
6 2HB SER 1 HB1 SER 1 -14.033 4.643 -4.852
7 HG SER 1 HG SER 1 -14.589 2.920 -2.662
8 H GLY 2 HN GLY 2 -13.150 0.184 -5.695
9 1HA GLY 2 HA2 GLY 2 -13.154 -0.801 -2.888
10 2HA GLY 2 HA1 GLY 2 -14.053 -1.715 -4.100
11 H SER 3 HN SER 3 -10.843 -0.125 -4.113
12 HA SER 3 HA SER 3 -9.621 -2.783 -4.729
13 1HB SER 3 HB2 SER 3 -10.033 -1.739 -6.862
14 2HB SER 3 HB1 SER 3 -9.428 -0.189 -6.285
15 HG SER 3 HG SER 3 -7.651 -0.935 -7.177
16 H LEU 4 HN LEU 4 -8.817 0.685 -4.257
17 HA LEU 4 HA LEU 4 -6.189 0.179 -3.192
18 1HB LEU 4 HB2 LEU 4 -7.956 2.369 -3.822
19 2HB LEU 4 HB1 LEU 4 -7.219 2.647 -2.243
20 HG LEU 4 HG LEU 4 -5.879 3.524 -4.209
21 1HD1 LEU 4 HD11 LEU 4 -3.921 3.139 -3.067
22 2HD1 LEU 4 HD12 LEU 4 -4.218 1.407 -2.931
23 3HD1 LEU 4 HD13 LEU 4 -5.045 2.530 -1.853
24 1HD2 LEU 4 HD21 LEU 4 -4.699 0.944 -4.823
25 2HD2 LEU 4 HD22 LEU 4 -5.356 2.153 -5.925
26 3HD2 LEU 4 HD23 LEU 4 -6.421 0.947 -5.204
27 H SER 5 HN SER 5 -8.681 1.871 -1.325
28 HA SER 5 HA SER 5 -9.272 1.693 0.956
29 1HB SER 5 HB2 SER 5 -8.633 -1.233 0.545
30 2HB SER 5 HB1 SER 5 -9.875 -0.529 1.576
31 HG SER 5 HG SER 5 -11.057 -0.938 -0.138
32 H THR 6 HN THR 6 -8.377 1.044 3.140
33 HA THR 6 HA THR 6 -5.713 1.801 3.546
34 HB THR 6 HB THR 6 -7.560 -0.056 5.074
35 HG1 THR 6 HG1 THR 6 -8.343 1.751 5.763
36 1HG2 THR 6 HG21 THR 6 -5.477 -0.628 5.977
37 2HG2 THR 6 HG22 THR 6 -5.990 0.701 7.018
38 3HG2 THR 6 HG23 THR 6 -4.819 0.990 5.731
39 H PHE 7 HN PHE 7 -7.023 -1.429 2.864
40 HA PHE 7 HA PHE 7 -4.767 -3.033 3.390
41 1HB PHE 7 HB2 PHE 7 -7.262 -3.393 2.422
42 2HB PHE 7 HB1 PHE 7 -6.354 -3.530 0.915
43 HD1 PHE 7 HD1 PHE 7 -4.639 -5.288 0.629
44 HD2 PHE 7 HD2 PHE 7 -7.047 -5.045 4.179
45 HE1 PHE 7 HE1 PHE 7 -3.966 -7.595 1.243
46 HE2 PHE 7 HE2 PHE 7 -6.374 -7.353 4.793
47 HZ PHE 7 HZ PHE 7 -4.834 -8.627 3.325
48 H PHE 8 HN PHE 8 -5.665 -1.737 0.158
49 HA PHE 8 HA PHE 8 -3.153 -2.331 -1.072
50 1HB PHE 8 HB2 PHE 8 -5.509 -1.661 -1.998
51 2HB PHE 8 HB1 PHE 8 -4.916 -0.008 -1.829
52 HD1 PHE 8 HD1 PHE 8 -5.067 -2.806 -3.983
53 HD2 PHE 8 HD2 PHE 8 -2.480 0.411 -2.794
54 HE1 PHE 8 HE1 PHE 8 -3.801 -3.042 -6.102
55 HE2 PHE 8 HE2 PHE 8 -1.214 0.175 -4.913
56 HZ PHE 8 HZ PHE 8 -1.874 -1.552 -6.568
57 H ARG 9 HN ARG 9 -4.377 0.657 0.466
58 HA ARG 9 HA ARG 9 -2.139 2.330 -0.067
59 1HB ARG 9 HB2 ARG 9 -4.576 2.392 1.325
60 2HB ARG 9 HB1 ARG 9 -3.352 2.742 2.547
61 1HG ARG 9 HG2 ARG 9 -2.413 4.511 1.107
62 2HG ARG 9 HG1 ARG 9 -3.637 4.166 -0.115
63 1HD ARG 9 HD2 ARG 9 -5.424 4.812 1.425
64 2HD ARG 9 HD1 ARG 9 -4.243 5.058 2.727
65 HE ARG 9 HE ARG 9 -3.196 6.816 1.219
66 1HH1 ARG 9 HH11 ARG 9 -5.892 5.592 -0.333
67 2HH1 ARG 9 HH12 ARG 9 -6.652 7.122 -0.612
68 1HH2 ARG 9 HH21 ARG 9 -4.414 8.893 1.357
69 2HH2 ARG 9 HH22 ARG 9 -5.817 8.991 0.345
70 H LEU 10 HN LEU 10 -2.815 0.247 2.772
71 HA LEU 10 HA LEU 10 -0.388 0.815 4.179
72 1HB LEU 10 HB2 LEU 10 -2.671 -0.466 4.728
73 2HB LEU 10 HB1 LEU 10 -1.697 -1.873 4.304
74 HG LEU 10 HG LEU 10 0.080 -0.767 5.898
75 1HD1 LEU 10 HD11 LEU 10 -1.896 1.144 6.079
76 2HD1 LEU 10 HD12 LEU 10 -0.613 0.905 7.267
77 3HD1 LEU 10 HD13 LEU 10 -2.194 0.165 7.516
78 1HD2 LEU 10 HD21 LEU 10 -1.393 -1.813 7.875
79 2HD2 LEU 10 HD22 LEU 10 -0.648 -2.830 6.641
80 3HD2 LEU 10 HD23 LEU 10 -2.351 -2.393 6.511
81 H PHE 11 HN PHE 11 -1.235 -1.859 1.951
82 HA PHE 11 HA PHE 11 1.226 -3.259 2.028
83 1HB PHE 11 HB2 PHE 11 -1.176 -3.512 0.794
84 2HB PHE 11 HB1 PHE 11 -0.193 -2.981 -0.571
85 HD1 PHE 11 HD1 PHE 11 1.670 -4.336 -1.394
86 HD2 PHE 11 HD2 PHE 11 -0.723 -5.631 1.929
87 HE1 PHE 11 HE1 PHE 11 2.626 -6.615 -1.594
88 HE2 PHE 11 HE2 PHE 11 0.232 -7.911 1.729
89 HZ PHE 11 HZ PHE 11 1.907 -8.403 -0.033
90 H ASN 12 HN ASN 12 0.202 -0.600 -0.141
91 HA ASN 12 HA ASN 12 2.634 -0.445 -1.645
92 1HB ASN 12 HB2 ASN 12 0.109 0.862 -1.410
93 2HB ASN 12 HB1 ASN 12 1.355 2.109 -1.352
94 1HD2 ASN 12 HD21 ASN 12 1.196 -1.013 -3.159
95 2HD2 ASN 12 HD22 ASN 12 1.462 -0.312 -4.681
96 H ARG 13 HN ARG 13 1.496 1.548 1.116
97 HA ARG 13 HA ARG 13 3.775 3.166 1.451
98 1HB ARG 13 HB2 ARG 13 1.426 2.309 2.926
99 2HB ARG 13 HB1 ARG 13 2.802 2.510 4.012
100 1HG ARG 13 HG2 ARG 13 2.084 4.598 1.952
101 2HG ARG 13 HG1 ARG 13 1.374 4.600 3.566
102 1HD ARG 13 HD2 ARG 13 3.226 5.896 4.037
103 2HD ARG 13 HD1 ARG 13 4.004 4.309 4.209
104 HE ARG 13 HE ARG 13 3.913 5.417 1.471
105 1HH1 ARG 13 HH11 ARG 13 5.735 3.506 3.387
106 2HH1 ARG 13 HH12 ARG 13 7.250 4.299 3.117
107 1HH2 ARG 13 HH21 ARG 13 5.834 7.046 1.547
108 2HH2 ARG 13 HH22 ARG 13 7.307 6.304 2.075
109 H SER 14 HN SER 14 3.099 -0.013 2.964
110 HA SER 14 HA SER 14 5.555 -0.251 4.394
111 1HB SER 14 HB2 SER 14 3.511 -1.621 4.712
112 2HB SER 14 HB1 SER 14 3.773 -2.365 3.138
113 HG SER 14 HG SER 14 4.901 -3.734 4.282
114 H PHE 15 HN PHE 15 4.641 -1.616 1.202
115 HA PHE 15 HA PHE 15 7.116 -2.800 0.536
116 1HB PHE 15 HB2 PHE 15 4.825 -2.862 -0.621
117 2HB PHE 15 HB1 PHE 15 5.286 -1.339 -1.381
118 HD1 PHE 15 HD1 PHE 15 6.003 -1.635 -3.574
119 HD2 PHE 15 HD2 PHE 15 7.080 -4.549 -0.608
120 HE1 PHE 15 HE1 PHE 15 7.317 -2.876 -5.271
121 HE2 PHE 15 HE2 PHE 15 8.394 -5.790 -2.306
122 HZ PHE 15 HZ PHE 15 8.512 -4.954 -4.637
123 H THR 16 HN THR 16 6.000 0.551 -0.006
124 HA THR 16 HA THR 16 8.320 1.464 -1.418
125 HB THR 16 HB THR 16 6.164 2.752 0.266
126 HG1 THR 16 HG1 THR 16 5.497 2.013 -1.715
127 1HG2 THR 16 HG21 THR 16 8.290 4.088 0.368
128 2HG2 THR 16 HG22 THR 16 6.958 4.928 -0.427
129 3HG2 THR 16 HG23 THR 16 8.243 4.200 -1.391
130 H GLN 17 HN GLN 17 7.436 1.757 2.047
131 HA GLN 17 HA GLN 17 9.780 3.060 2.950
132 1HB GLN 17 HB2 GLN 17 7.721 2.723 4.255
133 2HB GLN 17 HB1 GLN 17 8.016 0.984 4.290
134 1HG GLN 17 HG2 GLN 17 10.400 1.969 5.231
135 2HG GLN 17 HG1 GLN 17 9.246 3.126 5.894
136 1HE2 GLN 17 HE21 GLN 17 9.067 2.418 8.060
137 2HE2 GLN 17 HE22 GLN 17 8.606 0.845 8.504
138 H ALA 18 HN ALA 18 9.098 -0.451 2.747
139 HA ALA 18 HA ALA 18 11.637 -1.334 3.734
140 1HB ALA 18 HB1 ALA 18 9.578 -2.698 3.548
141 2HB ALA 18 HB2 ALA 18 10.923 -3.470 2.710
142 3HB ALA 18 HB3 ALA 18 9.687 -2.614 1.790
143 H LEU 19 HN LEU 19 10.457 -0.827 0.391
144 HA LEU 19 HA LEU 19 12.680 -1.694 -1.072
145 1HB LEU 19 HB2 LEU 19 10.343 -0.601 -1.673
146 2HB LEU 19 HB1 LEU 19 11.296 0.880 -1.760
147 HG LEU 19 HG LEU 19 12.073 -1.655 -3.217
148 1HD1 LEU 19 HD11 LEU 19 10.122 0.485 -3.905
149 2HD1 LEU 19 HD12 LEU 19 10.165 -1.203 -4.414
150 3HD1 LEU 19 HD13 LEU 19 11.223 -0.022 -5.186
151 1HD2 LEU 19 HD21 LEU 19 13.280 0.159 -4.613
152 2HD2 LEU 19 HD22 LEU 19 13.942 -0.210 -3.020
153 3HD2 LEU 19 HD23 LEU 19 12.956 1.233 -3.252
154 H GLY 20 HN GLY 20 12.196 1.475 0.504
155 1HA GLY 20 HA2 GLY 20 13.979 2.782 1.461
156 2HA GLY 20 HA1 GLY 20 15.138 1.847 0.511
157 H LYS 21 HN LYS 21 12.657 2.572 -1.572
158 HA LYS 21 HA LYS 21 12.381 4.216 -3.251
159 1HB LYS 21 HB2 LYS 21 12.860 5.518 -0.867
160 2HB LYS 21 HB1 LYS 21 14.119 6.180 -1.909
161 1HG LYS 21 HG2 LYS 21 12.385 6.699 -3.623
162 2HG LYS 21 HG1 LYS 21 11.146 6.130 -2.502
163 1HD LYS 21 HD2 LYS 21 11.690 7.859 -0.909
164 2HD LYS 21 HD1 LYS 21 13.106 8.344 -1.842
165 1HE LYS 21 HE2 LYS 21 11.658 9.910 -2.705
166 2HE LYS 21 HE1 LYS 21 11.140 8.564 -3.738
167 1HZ LYS 21 HZ1 LYS 21 9.197 9.336 -2.676
168 2HZ LYS 21 HZ2 LYS 21 9.961 9.441 -1.163
169 3HZ LYS 21 HZ3 LYS 21 9.629 7.921 -1.847
170 1HN NH2 22 1HN NH2 22 15.682 5.002 -2.018
171 2HN NH2 22 2HN NH2 22 16.482 4.641 -3.472
Start of MODEL 17
1 1H SER 1 1H SER 1 -13.006 -7.044 -5.028
2 2H SER 1 2H SER 1 -13.921 -5.770 -5.679
3 3H SER 1 3H SER 1 -14.201 -6.293 -4.087
4 HA SER 1 HA SER 1 -12.871 -4.162 -4.336
5 1HB SER 1 HB2 SER 1 -11.625 -6.502 -2.869
6 2HB SER 1 HB1 SER 1 -11.612 -4.810 -2.380
7 HG SER 1 HG SER 1 -13.361 -6.612 -1.714
8 H GLY 2 HN GLY 2 -11.534 -3.470 -5.986
9 1HA GLY 2 HA2 GLY 2 -9.638 -5.199 -7.317
10 2HA GLY 2 HA1 GLY 2 -9.737 -3.447 -7.505
11 H SER 3 HN SER 3 -8.005 -2.347 -6.743
12 HA SER 3 HA SER 3 -6.501 -3.491 -4.416
13 1HB SER 3 HB2 SER 3 -5.630 -3.748 -6.925
14 2HB SER 3 HB1 SER 3 -5.084 -2.095 -6.656
15 HG SER 3 HG SER 3 -3.450 -3.343 -5.925
16 H LEU 4 HN LEU 4 -7.455 -1.872 -3.034
17 HA LEU 4 HA LEU 4 -6.105 0.719 -3.099
18 1HB LEU 4 HB2 LEU 4 -8.233 0.548 -4.740
19 2HB LEU 4 HB1 LEU 4 -9.076 0.942 -3.242
20 HG LEU 4 HG LEU 4 -7.226 2.791 -3.012
21 1HD1 LEU 4 HD11 LEU 4 -6.685 3.649 -5.372
22 2HD1 LEU 4 HD12 LEU 4 -7.151 2.045 -5.941
23 3HD1 LEU 4 HD13 LEU 4 -5.795 2.227 -4.828
24 1HD2 LEU 4 HD21 LEU 4 -8.711 4.158 -4.783
25 2HD2 LEU 4 HD22 LEU 4 -9.346 3.678 -3.209
26 3HD2 LEU 4 HD23 LEU 4 -9.724 2.721 -4.643
27 H SER 5 HN SER 5 -8.478 1.888 -1.613
28 HA SER 5 HA SER 5 -9.109 2.090 0.659
29 1HB SER 5 HB2 SER 5 -10.263 -0.003 -0.178
30 2HB SER 5 HB1 SER 5 -8.927 -0.934 0.493
31 HG SER 5 HG SER 5 -11.035 0.308 1.739
32 H THR 6 HN THR 6 -8.440 1.098 2.969
33 HA THR 6 HA THR 6 -5.803 1.793 3.564
34 HB THR 6 HB THR 6 -6.403 -0.161 5.408
35 HG1 THR 6 HG1 THR 6 -8.824 0.393 5.504
36 1HG2 THR 6 HG21 THR 6 -7.927 2.393 5.593
37 2HG2 THR 6 HG22 THR 6 -6.175 2.509 5.426
38 3HG2 THR 6 HG23 THR 6 -6.875 1.623 6.780
39 H PHE 7 HN PHE 7 -7.035 -1.518 2.941
40 HA PHE 7 HA PHE 7 -4.767 -3.061 3.252
41 1HB PHE 7 HB2 PHE 7 -6.727 -3.110 0.933
42 2HB PHE 7 HB1 PHE 7 -5.743 -4.470 1.471
43 HD1 PHE 7 HD1 PHE 7 -8.960 -3.481 1.506
44 HD2 PHE 7 HD2 PHE 7 -5.876 -4.458 4.331
45 HE1 PHE 7 HE1 PHE 7 -10.686 -4.066 3.188
46 HE2 PHE 7 HE2 PHE 7 -7.602 -5.044 6.012
47 HZ PHE 7 HZ PHE 7 -10.007 -4.849 5.441
48 H PHE 8 HN PHE 8 -5.623 -1.646 0.067
49 HA PHE 8 HA PHE 8 -3.102 -2.094 -1.162
50 1HB PHE 8 HB2 PHE 8 -5.361 -1.445 -2.163
51 2HB PHE 8 HB1 PHE 8 -4.999 0.213 -1.678
52 HD1 PHE 8 HD1 PHE 8 -2.852 -2.523 -3.085
53 HD2 PHE 8 HD2 PHE 8 -4.418 1.446 -3.577
54 HE1 PHE 8 HE1 PHE 8 -1.464 -2.228 -5.119
55 HE2 PHE 8 HE2 PHE 8 -3.031 1.742 -5.611
56 HZ PHE 8 HZ PHE 8 -1.553 -0.095 -6.382
57 H ARG 9 HN ARG 9 -4.345 0.798 0.539
58 HA ARG 9 HA ARG 9 -2.100 2.494 0.166
59 1HB ARG 9 HB2 ARG 9 -4.541 2.389 1.627
60 2HB ARG 9 HB1 ARG 9 -3.270 2.815 2.775
61 1HG ARG 9 HG2 ARG 9 -3.030 4.217 0.207
62 2HG ARG 9 HG1 ARG 9 -4.524 4.587 1.067
63 1HD ARG 9 HD2 ARG 9 -3.335 5.996 2.385
64 2HD ARG 9 HD1 ARG 9 -2.462 4.587 3.021
65 HE ARG 9 HE ARG 9 -1.035 4.873 0.842
66 1HH1 ARG 9 HH21 ARG 9 -1.578 7.010 3.357
67 2HH1 ARG 9 HH22 ARG 9 -0.872 8.389 2.580
68 1HH2 ARG 9 HH11 ARG 9 -0.535 6.815 -0.492
69 2HH2 ARG 9 HH12 ARG 9 -0.281 8.277 0.402
70 H LEU 10 HN LEU 10 -2.804 0.233 2.857
71 HA LEU 10 HA LEU 10 -0.399 0.702 4.328
72 1HB LEU 10 HB2 LEU 10 -2.483 -0.445 5.106
73 2HB LEU 10 HB1 LEU 10 -2.072 -1.820 4.079
74 HG LEU 10 HG LEU 10 0.263 -1.523 5.425
75 1HD1 LEU 10 HD11 LEU 10 -0.765 -1.327 7.892
76 2HD1 LEU 10 HD12 LEU 10 -1.908 -0.280 7.051
77 3HD1 LEU 10 HD13 LEU 10 -0.182 0.086 7.013
78 1HD2 LEU 10 HD21 LEU 10 -1.989 -3.288 5.435
79 2HD2 LEU 10 HD22 LEU 10 -1.450 -3.082 7.101
80 3HD2 LEU 10 HD23 LEU 10 -0.320 -3.652 5.873
81 H PHE 11 HN PHE 11 -1.195 -1.903 1.993
82 HA PHE 11 HA PHE 11 1.296 -3.233 1.985
83 1HB PHE 11 HB2 PHE 11 -0.956 -3.794 0.876
84 2HB PHE 11 HB1 PHE 11 -0.443 -2.740 -0.443
85 HD1 PHE 11 HD1 PHE 11 2.169 -3.188 -1.128
86 HD2 PHE 11 HD2 PHE 11 -0.540 -6.058 0.568
87 HE1 PHE 11 HE1 PHE 11 3.531 -5.033 -2.073
88 HE2 PHE 11 HE2 PHE 11 0.822 -7.903 -0.377
89 HZ PHE 11 HZ PHE 11 2.858 -7.390 -1.697
90 H ASN 12 HN ASN 12 0.224 -0.446 0.019
91 HA ASN 12 HA ASN 12 2.631 -0.203 -1.530
92 1HB ASN 12 HB2 ASN 12 0.115 1.168 -1.063
93 2HB ASN 12 HB1 ASN 12 1.433 2.330 -1.217
94 1HD2 ASN 12 HD21 ASN 12 1.169 3.052 -3.369
95 2HD2 ASN 12 HD22 ASN 12 1.166 2.023 -4.718
96 H ARG 13 HN ARG 13 1.527 1.531 1.409
97 HA ARG 13 HA ARG 13 3.789 3.195 1.773
98 1HB ARG 13 HB2 ARG 13 1.670 3.385 2.996
99 2HB ARG 13 HB1 ARG 13 1.960 1.829 3.776
100 1HG ARG 13 HG2 ARG 13 3.821 2.676 5.004
101 2HG ARG 13 HG1 ARG 13 3.893 4.140 4.022
102 1HD ARG 13 HD2 ARG 13 1.556 4.699 4.888
103 2HD ARG 13 HD1 ARG 13 1.783 3.388 6.062
104 HE ARG 13 HE ARG 13 3.598 5.761 5.854
105 1HH1 ARG 13 HH11 ARG 13 1.429 4.129 7.814
106 2HH1 ARG 13 HH12 ARG 13 2.447 4.088 9.215
107 1HH2 ARG 13 HH21 ARG 13 5.240 5.287 7.548
108 2HH2 ARG 13 HH22 ARG 13 4.604 4.745 9.065
109 H SER 14 HN SER 14 3.153 -0.005 3.276
110 HA SER 14 HA SER 14 5.702 -0.264 4.542
111 1HB SER 14 HB2 SER 14 5.017 -2.629 4.708
112 2HB SER 14 HB1 SER 14 3.651 -1.568 5.042
113 HG SER 14 HG SER 14 3.020 -1.863 2.854
114 H PHE 15 HN PHE 15 4.526 -1.513 1.397
115 HA PHE 15 HA PHE 15 6.912 -2.842 0.602
116 1HB PHE 15 HB2 PHE 15 4.869 -3.217 -0.569
117 2HB PHE 15 HB1 PHE 15 4.629 -1.493 -0.853
118 HD1 PHE 15 HD1 PHE 15 7.010 -4.285 -1.604
119 HD2 PHE 15 HD2 PHE 15 5.362 -0.522 -2.858
120 HE1 PHE 15 HE1 PHE 15 8.232 -4.467 -3.755
121 HE2 PHE 15 HE2 PHE 15 6.584 -0.704 -5.009
122 HZ PHE 15 HZ PHE 15 8.019 -2.675 -5.457
123 H THR 16 HN THR 16 5.843 0.525 0.030
124 HA THR 16 HA THR 16 8.118 1.322 -1.530
125 HB THR 16 HB THR 16 6.365 2.988 0.303
126 HG1 THR 16 HG1 THR 16 5.141 3.174 -1.730
127 1HG2 THR 16 HG21 THR 16 6.985 4.166 -2.238
128 2HG2 THR 16 HG22 THR 16 8.483 3.625 -1.481
129 3HG2 THR 16 HG23 THR 16 7.417 4.741 -0.627
130 H GLN 17 HN GLN 17 7.397 1.670 1.961
131 HA GLN 17 HA GLN 17 9.801 3.015 2.696
132 1HB GLN 17 HB2 GLN 17 7.961 1.103 4.168
133 2HB GLN 17 HB1 GLN 17 9.196 2.081 4.962
134 1HG GLN 17 HG2 GLN 17 7.281 3.469 3.135
135 2HG GLN 17 HG1 GLN 17 6.690 2.957 4.717
136 1HE2 GLN 17 HE21 GLN 17 6.891 4.617 6.216
137 2HE2 GLN 17 HE22 GLN 17 8.166 5.736 6.273
138 H ALA 18 HN ALA 18 9.029 -0.470 2.550
139 HA ALA 18 HA ALA 18 11.575 -1.378 3.553
140 1HB ALA 18 HB1 ALA 18 10.740 -3.529 2.883
141 2HB ALA 18 HB2 ALA 18 9.682 -2.808 1.670
142 3HB ALA 18 HB3 ALA 18 9.332 -2.593 3.385
143 H LEU 19 HN LEU 19 10.266 -1.231 0.214
144 HA LEU 19 HA LEU 19 12.489 -2.133 -1.220
145 1HB LEU 19 HB2 LEU 19 10.059 -1.146 -1.807
146 2HB LEU 19 HB1 LEU 19 11.025 0.274 -2.208
147 HG LEU 19 HG LEU 19 12.529 -1.389 -3.520
148 1HD1 LEU 19 HD11 LEU 19 11.882 -3.544 -3.225
149 2HD1 LEU 19 HD12 LEU 19 10.602 -3.164 -4.378
150 3HD1 LEU 19 HD13 LEU 19 10.283 -3.076 -2.646
151 1HD2 LEU 19 HD21 LEU 19 11.260 0.240 -4.723
152 2HD2 LEU 19 HD22 LEU 19 9.736 -0.561 -4.341
153 3HD2 LEU 19 HD23 LEU 19 10.865 -1.308 -5.470
154 H GLY 20 HN GLY 20 12.009 0.994 0.347
155 1HA GLY 20 HA2 GLY 20 13.732 2.507 0.998
156 2HA GLY 20 HA1 GLY 20 14.877 1.579 0.026
157 H LYS 21 HN LYS 21 12.229 2.027 -1.920
158 HA LYS 21 HA LYS 21 11.900 3.406 -3.811
159 1HB LYS 21 HB2 LYS 21 12.253 4.988 -1.392
160 2HB LYS 21 HB1 LYS 21 12.743 5.894 -2.824
161 1HG LYS 21 HG2 LYS 21 10.621 5.866 -3.741
162 2HG LYS 21 HG1 LYS 21 10.190 4.344 -2.958
163 1HD LYS 21 HD2 LYS 21 9.672 5.375 -0.933
164 2HD LYS 21 HD1 LYS 21 10.689 6.777 -1.271
165 1HE LYS 21 HE2 LYS 21 8.258 6.199 -2.971
166 2HE LYS 21 HE1 LYS 21 8.122 7.114 -1.454
167 1HZ LYS 21 HZ1 LYS 21 9.498 8.772 -2.216
168 2HZ LYS 21 HZ2 LYS 21 8.687 8.357 -3.651
169 3HZ LYS 21 HZ3 LYS 21 10.259 7.780 -3.363
170 1HN NH2 22 1HN NH2 22 13.216 5.282 -5.139
171 2HN NH2 22 2HN NH2 22 14.877 4.973 -5.305
Start of MODEL 18
1 1H SER 1 1H SER 1 -11.092 -2.369 -7.517
2 2H SER 1 2H SER 1 -11.817 -3.868 -7.178
3 3H SER 1 3H SER 1 -12.528 -2.812 -8.301
4 HA SER 1 HA SER 1 -11.491 -4.165 -9.788
5 1HB SER 1 HB2 SER 1 -10.471 -1.729 -9.464
6 2HB SER 1 HB1 SER 1 -9.029 -2.639 -9.014
7 HG SER 1 HG SER 1 -9.484 -2.075 -11.356
8 H GLY 2 HN GLY 2 -9.662 -3.955 -6.753
9 1HA GLY 2 HA2 GLY 2 -9.165 -6.777 -6.669
10 2HA GLY 2 HA1 GLY 2 -7.718 -5.944 -7.238
11 H SER 3 HN SER 3 -6.726 -4.363 -5.811
12 HA SER 3 HA SER 3 -6.678 -5.157 -3.046
13 1HB SER 3 HB2 SER 3 -4.750 -4.199 -4.140
14 2HB SER 3 HB1 SER 3 -5.656 -2.757 -4.590
15 HG SER 3 HG SER 3 -5.061 -3.623 -1.948
16 H LEU 4 HN LEU 4 -6.939 -3.290 -1.311
17 HA LEU 4 HA LEU 4 -9.569 -1.931 -1.811
18 1HB LEU 4 HB2 LEU 4 -8.626 -3.807 0.175
19 2HB LEU 4 HB1 LEU 4 -9.113 -2.305 0.959
20 HG LEU 4 HG LEU 4 -11.018 -3.875 0.739
21 1HD1 LEU 4 HD11 LEU 4 -11.437 -1.598 -1.198
22 2HD1 LEU 4 HD12 LEU 4 -11.200 -1.303 0.524
23 3HD1 LEU 4 HD13 LEU 4 -12.573 -2.264 -0.025
24 1HD2 LEU 4 HD21 LEU 4 -11.469 -3.569 -2.091
25 2HD2 LEU 4 HD22 LEU 4 -11.313 -5.057 -1.157
26 3HD2 LEU 4 HD23 LEU 4 -9.879 -4.285 -1.830
27 H SER 5 HN SER 5 -9.838 0.139 -0.683
28 HA SER 5 HA SER 5 -7.844 2.037 -0.953
29 1HB SER 5 HB2 SER 5 -10.340 1.696 0.521
30 2HB SER 5 HB1 SER 5 -9.237 2.788 1.352
31 HG SER 5 HG SER 5 -9.588 3.031 -1.419
32 H THR 6 HN THR 6 -8.691 0.969 2.345
33 HA THR 6 HA THR 6 -6.333 1.759 3.628
34 HB THR 6 HB THR 6 -7.056 -0.480 5.002
35 HG1 THR 6 HG1 THR 6 -8.683 -1.310 3.982
36 1HG2 THR 6 HG21 THR 6 -7.225 1.602 6.076
37 2HG2 THR 6 HG22 THR 6 -8.903 1.073 5.974
38 3HG2 THR 6 HG23 THR 6 -8.283 2.263 4.830
39 H PHE 7 HN PHE 7 -7.023 -1.596 2.547
40 HA PHE 7 HA PHE 7 -4.517 -2.743 3.001
41 1HB PHE 7 HB2 PHE 7 -6.737 -3.114 1.021
42 2HB PHE 7 HB1 PHE 7 -5.257 -4.050 0.805
43 HD1 PHE 7 HD1 PHE 7 -6.644 -2.920 4.058
44 HD2 PHE 7 HD2 PHE 7 -6.074 -6.230 1.381
45 HE1 PHE 7 HE1 PHE 7 -7.374 -4.485 5.838
46 HE2 PHE 7 HE2 PHE 7 -6.803 -7.796 3.161
47 HZ PHE 7 HZ PHE 7 -7.453 -6.923 5.389
48 H PHE 8 HN PHE 8 -5.567 -1.435 -0.174
49 HA PHE 8 HA PHE 8 -3.171 -1.545 -1.571
50 1HB PHE 8 HB2 PHE 8 -5.184 -0.797 -2.620
51 2HB PHE 8 HB1 PHE 8 -5.378 0.523 -1.467
52 HD1 PHE 8 HD1 PHE 8 -3.038 -0.768 -4.090
53 HD2 PHE 8 HD2 PHE 8 -4.529 2.654 -1.965
54 HE1 PHE 8 HE1 PHE 8 -1.732 0.726 -5.578
55 HE2 PHE 8 HE2 PHE 8 -3.224 4.147 -3.453
56 HZ PHE 8 HZ PHE 8 -1.825 3.184 -5.260
57 H ARG 9 HN ARG 9 -4.237 1.277 0.379
58 HA ARG 9 HA ARG 9 -1.902 2.834 0.174
59 1HB ARG 9 HB2 ARG 9 -4.008 3.582 1.168
60 2HB ARG 9 HB1 ARG 9 -3.828 2.423 2.486
61 1HG ARG 9 HG2 ARG 9 -1.446 3.738 2.644
62 2HG ARG 9 HG1 ARG 9 -2.500 5.035 2.078
63 1HD ARG 9 HD2 ARG 9 -3.812 4.993 4.002
64 2HD ARG 9 HD1 ARG 9 -3.443 3.289 4.337
65 HE ARG 9 HE ARG 9 -1.012 4.224 4.699
66 1HH1 ARG 9 HH21 ARG 9 -4.016 5.234 5.948
67 2HH1 ARG 9 HH22 ARG 9 -3.349 6.459 6.976
68 1HH2 ARG 9 HH11 ARG 9 -0.114 6.068 5.790
69 2HH2 ARG 9 HH12 ARG 9 -1.140 6.931 6.887
70 H LEU 10 HN LEU 10 -2.700 0.633 2.898
71 HA LEU 10 HA LEU 10 -0.266 0.732 4.276
72 1HB LEU 10 HB2 LEU 10 -2.578 -1.038 3.992
73 2HB LEU 10 HB1 LEU 10 -1.113 -1.920 4.426
74 HG LEU 10 HG LEU 10 -0.759 -0.549 6.366
75 1HD1 LEU 10 HD11 LEU 10 -1.272 1.645 5.930
76 2HD1 LEU 10 HD12 LEU 10 -2.787 1.201 6.718
77 3HD1 LEU 10 HD13 LEU 10 -2.683 1.229 4.958
78 1HD2 LEU 10 HD21 LEU 10 -3.656 -1.364 6.011
79 2HD2 LEU 10 HD22 LEU 10 -2.996 -0.820 7.555
80 3HD2 LEU 10 HD23 LEU 10 -2.367 -2.281 6.792
81 H PHE 11 HN PHE 11 -1.139 -1.420 1.553
82 HA PHE 11 HA PHE 11 1.301 -2.890 1.439
83 1HB PHE 11 HB2 PHE 11 -1.103 -2.926 0.191
84 2HB PHE 11 HB1 PHE 11 -0.123 -2.192 -1.079
85 HD1 PHE 11 HD1 PHE 11 0.851 -3.657 -2.595
86 HD2 PHE 11 HD2 PHE 11 0.214 -4.955 1.450
87 HE1 PHE 11 HE1 PHE 11 1.790 -5.882 -3.161
88 HE2 PHE 11 HE2 PHE 11 1.153 -7.179 0.884
89 HZ PHE 11 HZ PHE 11 1.941 -7.643 -1.421
90 H ASN 12 HN ASN 12 0.301 -0.036 -0.497
91 HA ASN 12 HA ASN 12 2.712 0.359 -1.910
92 1HB ASN 12 HB2 ASN 12 0.468 1.487 -2.194
93 2HB ASN 12 HB1 ASN 12 0.858 2.483 -0.790
94 1HD2 ASN 12 HD21 ASN 12 0.589 4.180 -2.709
95 2HD2 ASN 12 HD22 ASN 12 2.023 4.584 -3.524
96 H ARG 13 HN ARG 13 1.715 1.904 1.172
97 HA ARG 13 HA ARG 13 4.127 3.315 1.671
98 1HB ARG 13 HB2 ARG 13 1.912 3.550 2.823
99 2HB ARG 13 HB1 ARG 13 2.223 2.024 3.651
100 1HG ARG 13 HG2 ARG 13 4.290 4.193 3.784
101 2HG ARG 13 HG1 ARG 13 2.859 4.312 4.810
102 1HD ARG 13 HD2 ARG 13 3.853 1.614 4.940
103 2HD ARG 13 HD1 ARG 13 5.181 2.740 5.285
104 HE ARG 13 HE ARG 13 3.368 3.881 6.821
105 1HH1 ARG 13 HH11 ARG 13 2.060 1.019 5.996
106 2HH1 ARG 13 HH12 ARG 13 2.111 0.285 7.563
107 1HH2 ARG 13 HH21 ARG 13 4.159 2.725 8.932
108 2HH2 ARG 13 HH22 ARG 13 3.300 1.250 9.226
109 H SER 14 HN SER 14 3.113 0.179 3.097
110 HA SER 14 HA SER 14 5.504 -0.477 4.419
111 1HB SER 14 HB2 SER 14 3.655 -2.344 2.902
112 2HB SER 14 HB1 SER 14 4.651 -2.757 4.295
113 HG SER 14 HG SER 14 2.205 -1.586 4.187
114 H PHE 15 HN PHE 15 4.585 -1.255 1.044
115 HA PHE 15 HA PHE 15 6.939 -2.660 0.308
116 1HB PHE 15 HB2 PHE 15 4.861 -2.560 -1.003
117 2HB PHE 15 HB1 PHE 15 5.106 -0.836 -1.286
118 HD1 PHE 15 HD1 PHE 15 7.398 -0.163 -2.375
119 HD2 PHE 15 HD2 PHE 15 5.706 -4.108 -2.542
120 HE1 PHE 15 HE1 PHE 15 8.811 -0.685 -4.345
121 HE2 PHE 15 HE2 PHE 15 7.119 -4.631 -4.512
122 HZ PHE 15 HZ PHE 15 8.671 -2.919 -5.414
123 H THR 16 HN THR 16 6.176 0.799 -0.287
124 HA THR 16 HA THR 16 8.654 1.602 -1.346
125 HB THR 16 HB THR 16 7.871 3.797 0.006
126 HG1 THR 16 HG1 THR 16 5.511 3.513 0.149
127 1HG2 THR 16 HG21 THR 16 6.956 2.457 -2.472
128 2HG2 THR 16 HG22 THR 16 7.616 4.077 -2.244
129 3HG2 THR 16 HG23 THR 16 5.919 3.755 -1.880
130 H GLN 17 HN GLN 17 7.640 1.717 2.096
131 HA GLN 17 HA GLN 17 10.148 2.602 3.139
132 1HB GLN 17 HB2 GLN 17 7.567 1.877 4.029
133 2HB GLN 17 HB1 GLN 17 8.689 0.853 4.928
134 1HG GLN 17 HG2 GLN 17 9.208 3.806 4.634
135 2HG GLN 17 HG1 GLN 17 8.129 3.204 5.893
136 1HE2 GLN 17 HE21 GLN 17 9.132 1.377 7.302
137 2HE2 GLN 17 HE22 GLN 17 10.783 1.514 7.672
138 H ALA 18 HN ALA 18 8.779 -0.711 2.966
139 HA ALA 18 HA ALA 18 11.083 -2.055 3.997
140 1HB ALA 18 HB1 ALA 18 9.008 -3.199 3.943
141 2HB ALA 18 HB2 ALA 18 9.955 -3.991 2.683
142 3HB ALA 18 HB3 ALA 18 8.735 -2.795 2.248
143 H LEU 19 HN LEU 19 9.971 -2.202 0.596
144 HA LEU 19 HA LEU 19 12.471 -3.061 -0.469
145 1HB LEU 19 HB2 LEU 19 9.926 -1.845 -1.467
146 2HB LEU 19 HB1 LEU 19 11.292 -1.921 -2.579
147 HG LEU 19 HG LEU 19 11.245 -4.434 -1.343
148 1HD1 LEU 19 HD11 LEU 19 9.063 -4.291 -0.485
149 2HD1 LEU 19 HD12 LEU 19 8.814 -5.063 -2.052
150 3HD1 LEU 19 HD13 LEU 19 8.486 -3.341 -1.854
151 1HD2 LEU 19 HD21 LEU 19 11.451 -3.425 -3.856
152 2HD2 LEU 19 HD22 LEU 19 9.835 -4.125 -3.937
153 3HD2 LEU 19 HD23 LEU 19 11.217 -5.140 -3.522
154 H GLY 20 HN GLY 20 11.548 0.017 0.723
155 1HA GLY 20 HA2 GLY 20 13.204 1.634 -1.034
156 2HA GLY 20 HA1 GLY 20 12.498 2.164 0.495
157 H LYS 21 HN LYS 21 14.057 -0.679 1.191
158 HA LYS 21 HA LYS 21 16.255 0.716 2.526
159 1HB LYS 21 HB2 LYS 21 15.040 -1.183 3.516
160 2HB LYS 21 HB1 LYS 21 15.545 -2.216 2.177
161 1HG LYS 21 HG2 LYS 21 17.025 -2.621 4.061
162 2HG LYS 21 HG1 LYS 21 17.932 -1.769 2.810
163 1HD LYS 21 HD2 LYS 21 18.304 -0.011 4.169
164 2HD LYS 21 HD1 LYS 21 16.595 0.101 4.587
165 1HE LYS 21 HE2 LYS 21 17.662 -0.399 6.656
166 2HE LYS 21 HE1 LYS 21 17.060 -1.974 6.103
167 1HZ LYS 21 HZ1 LYS 21 19.716 -0.994 5.270
168 2HZ LYS 21 HZ2 LYS 21 19.134 -2.589 5.307
169 3HZ LYS 21 HZ3 LYS 21 19.524 -1.790 6.755
170 1HN NH2 22 1HN NH2 22 18.342 0.968 1.660
171 2HN NH2 22 2HN NH2 22 18.934 0.156 0.293
Start of MODEL 19
1 1H SER 1 1H SER 1 -16.677 1.395 5.320
2 2H SER 1 2H SER 1 -15.743 0.791 6.605
3 3H SER 1 3H SER 1 -17.113 -0.061 6.074
4 HA SER 1 HA SER 1 -14.664 -0.725 5.319
5 1HB SER 1 HB2 SER 1 -17.161 -1.537 4.891
6 2HB SER 1 HB1 SER 1 -16.886 -0.814 3.308
7 HG SER 1 HG SER 1 -15.927 -2.644 2.906
8 H GLY 2 HN GLY 2 -16.734 1.185 3.093
9 1HA GLY 2 HA2 GLY 2 -16.119 2.890 1.581
10 2HA GLY 2 HA1 GLY 2 -14.513 2.899 2.312
11 H SER 3 HN SER 3 -13.128 0.937 1.747
12 HA SER 3 HA SER 3 -13.706 -0.698 -0.540
13 1HB SER 3 HB2 SER 3 -13.554 1.837 -1.312
14 2HB SER 3 HB1 SER 3 -11.821 1.528 -1.242
15 HG SER 3 HG SER 3 -12.029 0.480 -3.041
16 H LEU 4 HN LEU 4 -11.196 -0.997 -1.658
17 HA LEU 4 HA LEU 4 -9.691 -2.202 0.567
18 1HB LEU 4 HB2 LEU 4 -9.614 -2.181 -2.439
19 2HB LEU 4 HB1 LEU 4 -8.231 -2.803 -1.540
20 HG LEU 4 HG LEU 4 -11.010 -3.739 -0.867
21 1HD1 LEU 4 HD11 LEU 4 -9.318 -5.298 -2.781
22 2HD1 LEU 4 HD12 LEU 4 -10.266 -3.953 -3.414
23 3HD1 LEU 4 HD13 LEU 4 -11.071 -5.288 -2.587
24 1HD2 LEU 4 HD21 LEU 4 -9.190 -4.327 0.657
25 2HD2 LEU 4 HD22 LEU 4 -8.229 -4.943 -0.687
26 3HD2 LEU 4 HD23 LEU 4 -9.711 -5.773 -0.209
27 H SER 5 HN SER 5 -9.874 0.879 -0.207
28 HA SER 5 HA SER 5 -7.405 1.899 -1.022
29 1HB SER 5 HB2 SER 5 -9.771 2.782 0.224
30 2HB SER 5 HB1 SER 5 -8.465 3.332 1.269
31 HG SER 5 HG SER 5 -8.151 3.621 -1.488
32 H THR 6 HN THR 6 -8.339 1.253 2.386
33 HA THR 6 HA THR 6 -5.881 1.785 3.626
34 HB THR 6 HB THR 6 -7.998 1.281 4.774
35 HG1 THR 6 HG1 THR 6 -5.686 -0.182 5.286
36 1HG2 THR 6 HG21 THR 6 -7.560 -1.615 4.036
37 2HG2 THR 6 HG22 THR 6 -8.595 -0.550 3.086
38 3HG2 THR 6 HG23 THR 6 -8.985 -0.884 4.773
39 H PHE 7 HN PHE 7 -6.969 -1.280 2.138
40 HA PHE 7 HA PHE 7 -4.630 -2.809 2.765
41 1HB PHE 7 HB2 PHE 7 -7.100 -3.205 1.624
42 2HB PHE 7 HB1 PHE 7 -6.031 -3.379 0.230
43 HD1 PHE 7 HD1 PHE 7 -3.600 -4.514 1.397
44 HD2 PHE 7 HD2 PHE 7 -7.717 -5.383 2.258
45 HE1 PHE 7 HE1 PHE 7 -2.959 -6.782 2.169
46 HE2 PHE 7 HE2 PHE 7 -7.076 -7.651 3.030
47 HZ PHE 7 HZ PHE 7 -4.697 -8.351 2.985
48 H PHE 8 HN PHE 8 -5.554 -1.463 -0.433
49 HA PHE 8 HA PHE 8 -3.143 -1.848 -1.789
50 1HB PHE 8 HB2 PHE 8 -5.352 0.182 -1.858
51 2HB PHE 8 HB1 PHE 8 -3.949 0.425 -2.898
52 HD1 PHE 8 HD1 PHE 8 -5.152 -2.914 -1.885
53 HD2 PHE 8 HD2 PHE 8 -5.114 0.047 -4.996
54 HE1 PHE 8 HE1 PHE 8 -6.046 -4.585 -3.485
55 HE2 PHE 8 HE2 PHE 8 -6.007 -1.623 -6.596
56 HZ PHE 8 HZ PHE 8 -6.474 -3.939 -5.842
57 H ARG 9 HN ARG 9 -4.065 1.093 0.052
58 HA ARG 9 HA ARG 9 -1.636 2.513 -0.230
59 1HB ARG 9 HB2 ARG 9 -3.797 2.358 1.872
60 2HB ARG 9 HB1 ARG 9 -2.443 3.476 2.045
61 1HG ARG 9 HG2 ARG 9 -3.590 3.574 -0.633
62 2HG ARG 9 HG1 ARG 9 -4.787 3.948 0.607
63 1HD ARG 9 HD2 ARG 9 -2.762 5.428 1.570
64 2HD ARG 9 HD1 ARG 9 -2.319 5.448 -0.149
65 HE ARG 9 HE ARG 9 -5.101 5.904 -0.032
66 1HH1 ARG 9 HH21 ARG 9 -3.921 7.420 2.424
67 2HH1 ARG 9 HH22 ARG 9 -3.766 9.007 1.748
68 1HH2 ARG 9 HH11 ARG 9 -4.150 7.936 -1.528
69 2HH2 ARG 9 HH12 ARG 9 -3.896 9.299 -0.490
70 H LEU 10 HN LEU 10 -2.628 0.407 2.505
71 HA LEU 10 HA LEU 10 -0.267 0.483 4.015
72 1HB LEU 10 HB2 LEU 10 -2.340 -0.599 4.718
73 2HB LEU 10 HB1 LEU 10 -2.183 -1.799 3.435
74 HG LEU 10 HG LEU 10 0.244 -1.711 4.997
75 1HD1 LEU 10 HD11 LEU 10 -2.356 -1.734 6.469
76 2HD1 LEU 10 HD12 LEU 10 -0.783 -1.122 6.979
77 3HD1 LEU 10 HD13 LEU 10 -1.103 -2.855 7.002
78 1HD2 LEU 10 HD21 LEU 10 -1.521 -4.049 5.249
79 2HD2 LEU 10 HD22 LEU 10 0.115 -3.942 4.597
80 3HD2 LEU 10 HD23 LEU 10 -1.269 -3.539 3.579
81 H PHE 11 HN PHE 11 -1.055 -1.748 1.324
82 HA PHE 11 HA PHE 11 1.390 -3.220 1.359
83 1HB PHE 11 HB2 PHE 11 -0.993 -3.257 0.012
84 2HB PHE 11 HB1 PHE 11 0.100 -2.694 -1.251
85 HD1 PHE 11 HD1 PHE 11 -0.296 -5.352 1.349
86 HD2 PHE 11 HD2 PHE 11 1.514 -4.206 -2.373
87 HE1 PHE 11 HE1 PHE 11 0.556 -7.662 1.053
88 HE2 PHE 11 HE2 PHE 11 2.366 -6.517 -2.670
89 HZ PHE 11 HZ PHE 11 1.887 -8.244 -0.957
90 H ASN 12 HN ASN 12 0.436 -0.410 -0.659
91 HA ASN 12 HA ASN 12 2.913 -0.101 -2.028
92 1HB ASN 12 HB2 ASN 12 0.877 1.980 -1.164
93 2HB ASN 12 HB1 ASN 12 2.025 2.147 -2.493
94 1HD2 ASN 12 HD21 ASN 12 1.830 -0.407 -3.692
95 2HD2 ASN 12 HD22 ASN 12 0.258 -0.623 -4.294
96 H ARG 13 HN ARG 13 1.713 1.667 0.857
97 HA ARG 13 HA ARG 13 4.040 3.175 1.395
98 1HB ARG 13 HB2 ARG 13 1.543 2.731 2.503
99 2HB ARG 13 HB1 ARG 13 2.630 2.114 3.748
100 1HG ARG 13 HG2 ARG 13 3.308 4.735 2.483
101 2HG ARG 13 HG1 ARG 13 1.976 4.698 3.639
102 1HD ARG 13 HD2 ARG 13 3.383 3.895 5.395
103 2HD ARG 13 HD1 ARG 13 4.686 3.489 4.260
104 HE ARG 13 HE ARG 13 4.371 6.046 5.418
105 1HH1 ARG 13 HH21 ARG 13 6.746 5.405 3.792
106 2HH1 ARG 13 HH22 ARG 13 6.551 6.417 2.400
107 1HH2 ARG 13 HH11 ARG 13 3.183 7.012 2.977
108 2HH2 ARG 13 HH12 ARG 13 4.533 7.327 1.938
109 H SER 14 HN SER 14 3.113 0.028 2.858
110 HA SER 14 HA SER 14 5.485 -0.424 4.332
111 1HB SER 14 HB2 SER 14 4.636 -2.625 4.516
112 2HB SER 14 HB1 SER 14 3.198 -1.658 4.204
113 HG SER 14 HG SER 14 3.327 -2.252 2.037
114 H PHE 15 HN PHE 15 4.728 -1.213 0.937
115 HA PHE 15 HA PHE 15 7.112 -2.674 0.346
116 1HB PHE 15 HB2 PHE 15 5.184 -2.723 -1.099
117 2HB PHE 15 HB1 PHE 15 5.218 -0.970 -1.294
118 HD1 PHE 15 HD1 PHE 15 6.672 -4.155 -2.348
119 HD2 PHE 15 HD2 PHE 15 7.019 0.119 -2.609
120 HE1 PHE 15 HE1 PHE 15 8.189 -4.396 -4.295
121 HE2 PHE 15 HE2 PHE 15 8.537 -0.123 -4.555
122 HZ PHE 15 HZ PHE 15 9.123 -2.381 -5.398
123 H THR 16 HN THR 16 6.336 0.781 -0.237
124 HA THR 16 HA THR 16 8.934 1.508 -1.205
125 HB THR 16 HB THR 16 7.876 3.788 -0.116
126 HG1 THR 16 HG1 THR 16 5.533 3.331 -0.615
127 1HG2 THR 16 HG21 THR 16 7.306 4.295 -2.291
128 2HG2 THR 16 HG22 THR 16 6.557 2.723 -2.571
129 3HG2 THR 16 HG23 THR 16 8.314 2.877 -2.586
130 H GLN 17 HN GLN 17 7.474 1.765 2.055
131 HA GLN 17 HA GLN 17 9.700 2.968 3.365
132 1HB GLN 17 HB2 GLN 17 7.386 2.753 4.240
133 2HB GLN 17 HB1 GLN 17 7.619 1.012 4.400
134 1HG GLN 17 HG2 GLN 17 9.543 1.455 5.934
135 2HG GLN 17 HG1 GLN 17 9.172 3.178 5.846
136 1HE2 GLN 17 HE21 GLN 17 8.722 3.056 8.231
137 2HE2 GLN 17 HE22 GLN 17 7.230 2.447 8.765
138 H ALA 18 HN ALA 18 8.871 -0.468 2.852
139 HA ALA 18 HA ALA 18 11.109 -1.522 4.345
140 1HB ALA 18 HB1 ALA 18 10.386 -3.615 3.356
141 2HB ALA 18 HB2 ALA 18 9.546 -2.762 2.060
142 3HB ALA 18 HB3 ALA 18 8.944 -2.666 3.714
143 H LEU 19 HN LEU 19 10.538 -1.419 0.801
144 HA LEU 19 HA LEU 19 13.091 -2.236 -0.050
145 1HB LEU 19 HB2 LEU 19 11.030 -1.877 -1.425
146 2HB LEU 19 HB1 LEU 19 11.280 -0.136 -1.285
147 HG LEU 19 HG LEU 19 13.739 -0.897 -2.139
148 1HD1 LEU 19 HD11 LEU 19 13.263 -2.521 -4.046
149 2HD1 LEU 19 HD12 LEU 19 11.731 -2.873 -3.247
150 3HD1 LEU 19 HD13 LEU 19 13.253 -3.225 -2.429
151 1HD2 LEU 19 HD21 LEU 19 12.122 0.828 -3.075
152 2HD2 LEU 19 HD22 LEU 19 11.405 -0.473 -4.026
153 3HD2 LEU 19 HD23 LEU 19 13.089 -0.017 -4.284
154 H GLY 20 HN GLY 20 12.141 0.758 1.437
155 1HA GLY 20 HA2 GLY 20 14.401 2.314 0.445
156 2HA GLY 20 HA1 GLY 20 13.303 2.795 1.742
157 H LYS 21 HN LYS 21 14.284 -0.280 2.509
158 HA LYS 21 HA LYS 21 16.738 0.664 3.944
159 1HB LYS 21 HB2 LYS 21 14.833 0.828 5.454
160 2HB LYS 21 HB1 LYS 21 14.319 -0.809 5.038
161 1HG LYS 21 HG2 LYS 21 15.789 -1.744 6.479
162 2HG LYS 21 HG1 LYS 21 17.104 -0.702 5.930
163 1HD LYS 21 HD2 LYS 21 16.624 0.957 7.482
164 2HD LYS 21 HD1 LYS 21 14.926 0.493 7.608
165 1HE LYS 21 HE2 LYS 21 17.025 -1.460 8.516
166 2HE LYS 21 HE1 LYS 21 16.576 -0.111 9.579
167 1HZ LYS 21 HZ1 LYS 21 14.839 -2.225 8.458
168 2HZ LYS 21 HZ2 LYS 21 14.191 -0.746 8.987
169 3HZ LYS 21 HZ3 LYS 21 15.016 -1.754 10.077
170 1HN NH2 22 1HN NH2 22 15.107 -2.451 4.424
171 2HN NH2 22 2HN NH2 22 16.286 -3.399 3.653
Start of MODEL 20
1 1H SER 1 1H SER 1 -14.764 1.303 8.279
2 2H SER 1 2H SER 1 -14.713 0.080 7.101
3 3H SER 1 3H SER 1 -16.192 0.809 7.508
4 HA SER 1 HA SER 1 -15.769 1.986 5.616
5 1HB SER 1 HB2 SER 1 -15.783 3.396 7.725
6 2HB SER 1 HB1 SER 1 -14.023 3.402 7.651
7 HG SER 1 HG SER 1 -14.620 4.078 5.298
8 H GLY 2 HN GLY 2 -14.468 0.561 4.271
9 1HA GLY 2 HA2 GLY 2 -12.315 1.315 2.955
10 2HA GLY 2 HA1 GLY 2 -11.520 0.912 4.478
11 H SER 3 HN SER 3 -12.374 -0.326 1.498
12 HA SER 3 HA SER 3 -12.378 -3.142 2.535
13 1HB SER 3 HB2 SER 3 -13.571 -1.775 0.120
14 2HB SER 3 HB1 SER 3 -13.394 -3.526 0.187
15 HG SER 3 HG SER 3 -15.280 -3.327 1.148
16 H LEU 4 HN LEU 4 -11.273 -1.158 -0.243
17 HA LEU 4 HA LEU 4 -8.946 -3.034 -0.519
18 1HB LEU 4 HB2 LEU 4 -10.882 -2.683 -2.307
19 2HB LEU 4 HB1 LEU 4 -9.931 -1.257 -2.724
20 HG LEU 4 HG LEU 4 -7.951 -2.635 -3.090
21 1HD1 LEU 4 HD11 LEU 4 -7.926 -4.460 -1.707
22 2HD1 LEU 4 HD12 LEU 4 -8.657 -5.248 -3.105
23 3HD1 LEU 4 HD13 LEU 4 -9.674 -4.672 -1.784
24 1HD2 LEU 4 HD21 LEU 4 -9.236 -4.337 -4.794
25 2HD2 LEU 4 HD22 LEU 4 -8.945 -2.633 -5.148
26 3HD2 LEU 4 HD23 LEU 4 -10.505 -3.145 -4.502
27 H SER 5 HN SER 5 -9.994 0.368 -0.818
28 HA SER 5 HA SER 5 -7.628 1.675 -1.439
29 1HB SER 5 HB2 SER 5 -9.866 2.285 0.496
30 2HB SER 5 HB1 SER 5 -8.583 3.451 0.186
31 HG SER 5 HG SER 5 -10.726 3.107 -1.224
32 H THR 6 HN THR 6 -8.661 1.231 1.967
33 HA THR 6 HA THR 6 -6.337 1.914 3.296
34 HB THR 6 HB THR 6 -8.175 -0.445 3.824
35 HG1 THR 6 HG1 THR 6 -9.551 1.008 4.426
36 1HG2 THR 6 HG21 THR 6 -6.615 1.172 5.843
37 2HG2 THR 6 HG22 THR 6 -5.974 -0.308 5.129
38 3HG2 THR 6 HG23 THR 6 -7.452 -0.360 6.090
39 H PHE 7 HN PHE 7 -7.077 -1.457 2.299
40 HA PHE 7 HA PHE 7 -4.615 -2.647 2.903
41 1HB PHE 7 HB2 PHE 7 -6.970 -3.152 1.318
42 2HB PHE 7 HB1 PHE 7 -5.547 -3.709 0.438
43 HD1 PHE 7 HD1 PHE 7 -5.393 -6.029 0.713
44 HD2 PHE 7 HD2 PHE 7 -6.287 -3.555 4.109
45 HE1 PHE 7 HE1 PHE 7 -5.248 -8.012 2.195
46 HE2 PHE 7 HE2 PHE 7 -6.142 -5.538 5.591
47 HZ PHE 7 HZ PHE 7 -5.621 -7.766 4.635
48 H PHE 8 HN PHE 8 -5.548 -1.135 -0.215
49 HA PHE 8 HA PHE 8 -3.124 -1.485 -1.609
50 1HB PHE 8 HB2 PHE 8 -5.573 -0.169 -1.909
51 2HB PHE 8 HB1 PHE 8 -4.374 1.118 -2.035
52 HD1 PHE 8 HD1 PHE 8 -4.470 -2.488 -3.083
53 HD2 PHE 8 HD2 PHE 8 -3.856 1.599 -4.253
54 HE1 PHE 8 HE1 PHE 8 -3.914 -3.230 -5.385
55 HE2 PHE 8 HE2 PHE 8 -3.300 0.857 -6.553
56 HZ PHE 8 HZ PHE 8 -3.330 -1.557 -7.119
57 H ARG 9 HN ARG 9 -4.104 1.384 0.316
58 HA ARG 9 HA ARG 9 -1.695 2.841 0.124
59 1HB ARG 9 HB2 ARG 9 -3.986 3.443 1.115
60 2HB ARG 9 HB1 ARG 9 -3.441 2.641 2.587
61 1HG ARG 9 HG2 ARG 9 -1.364 4.398 1.671
62 2HG ARG 9 HG1 ARG 9 -2.879 5.299 1.749
63 1HD ARG 9 HD2 ARG 9 -2.005 3.511 4.029
64 2HD ARG 9 HD1 ARG 9 -1.492 5.206 3.924
65 HE ARG 9 HE ARG 9 -4.321 5.021 3.455
66 1HH1 ARG 9 HH21 ARG 9 -1.866 5.651 5.721
67 2HH1 ARG 9 HH22 ARG 9 -2.935 5.773 7.078
68 1HH2 ARG 9 HH11 ARG 9 -5.744 4.803 5.291
69 2HH2 ARG 9 HH12 ARG 9 -5.130 5.293 6.835
70 H LEU 10 HN LEU 10 -2.655 0.468 2.634
71 HA LEU 10 HA LEU 10 -0.309 0.568 4.213
72 1HB LEU 10 HB2 LEU 10 -2.652 -0.696 4.346
73 2HB LEU 10 HB1 LEU 10 -1.706 -2.025 3.675
74 HG LEU 10 HG LEU 10 -0.003 -1.531 5.539
75 1HD1 LEU 10 HD11 LEU 10 -0.433 0.248 6.848
76 2HD1 LEU 10 HD12 LEU 10 -1.880 -0.571 7.433
77 3HD1 LEU 10 HD13 LEU 10 -1.978 0.507 6.040
78 1HD2 LEU 10 HD21 LEU 10 -1.801 -2.569 7.265
79 2HD2 LEU 10 HD22 LEU 10 -1.088 -3.514 5.957
80 3HD2 LEU 10 HD23 LEU 10 -2.688 -2.800 5.757
81 H PHE 11 HN PHE 11 -1.063 -1.677 1.516
82 HA PHE 11 HA PHE 11 1.411 -3.057 1.463
83 1HB PHE 11 HB2 PHE 11 -0.950 -2.635 -0.194
84 2HB PHE 11 HB1 PHE 11 0.500 -2.836 -1.178
85 HD1 PHE 11 HD1 PHE 11 2.170 -4.667 0.273
86 HD2 PHE 11 HD2 PHE 11 -2.108 -4.663 -0.109
87 HE1 PHE 11 HE1 PHE 11 2.129 -7.108 0.709
88 HE2 PHE 11 HE2 PHE 11 -2.149 -7.104 0.326
89 HZ PHE 11 HZ PHE 11 -0.030 -8.326 0.735
90 H ASN 12 HN ASN 12 0.412 -0.225 -0.504
91 HA ASN 12 HA ASN 12 2.843 0.202 -1.874
92 1HB ASN 12 HB2 ASN 12 0.538 1.298 -2.116
93 2HB ASN 12 HB1 ASN 12 1.016 2.360 -0.791
94 1HD2 ASN 12 HD21 ASN 12 1.215 4.300 -2.056
95 2HD2 ASN 12 HD22 ASN 12 2.390 4.483 -3.268
96 H ARG 13 HN ARG 13 1.798 1.514 1.289
97 HA ARG 13 HA ARG 13 4.157 3.054 1.805
98 1HB ARG 13 HB2 ARG 13 1.987 1.776 3.473
99 2HB ARG 13 HB1 ARG 13 3.282 2.709 4.222
100 1HG ARG 13 HG2 ARG 13 2.063 4.045 1.904
101 2HG ARG 13 HG1 ARG 13 0.939 3.776 3.238
102 1HD ARG 13 HD2 ARG 13 2.254 5.039 4.756
103 2HD ARG 13 HD1 ARG 13 3.687 4.955 3.711
104 HE ARG 13 HE ARG 13 1.235 6.332 2.715
105 1HH1 ARG 13 HH11 ARG 13 3.950 7.029 4.533
106 2HH1 ARG 13 HH12 ARG 13 4.562 8.264 3.484
107 1HH2 ARG 13 HH21 ARG 13 2.276 7.620 0.958
108 2HH2 ARG 13 HH22 ARG 13 3.614 8.598 1.459
109 H SER 14 HN SER 14 3.232 -0.224 2.931
110 HA SER 14 HA SER 14 5.571 -0.842 4.388
111 1HB SER 14 HB2 SER 14 3.808 -2.355 4.585
112 2HB SER 14 HB1 SER 14 3.481 -2.353 2.854
113 HG SER 14 HG SER 14 5.206 -3.670 2.527
114 H PHE 15 HN PHE 15 4.886 -1.424 0.919
115 HA PHE 15 HA PHE 15 7.429 -2.602 0.298
116 1HB PHE 15 HB2 PHE 15 4.991 -1.757 -0.989
117 2HB PHE 15 HB1 PHE 15 6.372 -1.236 -1.955
118 HD1 PHE 15 HD1 PHE 15 4.922 -4.204 -0.210
119 HD2 PHE 15 HD2 PHE 15 7.575 -2.780 -3.274
120 HE1 PHE 15 HE1 PHE 15 5.236 -6.528 -1.018
121 HE2 PHE 15 HE2 PHE 15 7.888 -5.104 -4.082
122 HZ PHE 15 HZ PHE 15 6.719 -6.977 -2.955
123 H THR 16 HN THR 16 6.224 0.724 -0.324
124 HA THR 16 HA THR 16 8.565 1.871 -1.350
125 HB THR 16 HB THR 16 6.386 2.938 0.466
126 HG1 THR 16 HG1 THR 16 5.953 3.940 -1.718
127 1HG2 THR 16 HG21 THR 16 7.681 4.946 -1.157
128 2HG2 THR 16 HG22 THR 16 8.861 4.163 -0.105
129 3HG2 THR 16 HG23 THR 16 7.430 4.925 0.589
130 H GLN 17 HN GLN 17 7.643 1.451 2.076
131 HA GLN 17 HA GLN 17 10.066 2.710 3.094
132 1HB GLN 17 HB2 GLN 17 7.558 2.016 4.030
133 2HB GLN 17 HB1 GLN 17 8.604 0.841 4.830
134 1HG GLN 17 HG2 GLN 17 8.477 2.788 6.252
135 2HG GLN 17 HG1 GLN 17 10.085 2.761 5.529
136 1HE2 GLN 17 HE21 GLN 17 6.832 3.985 4.516
137 2HE2 GLN 17 HE22 GLN 17 7.407 5.495 3.996
138 H ALA 18 HN ALA 18 8.892 -0.677 3.293
139 HA ALA 18 HA ALA 18 11.146 -1.951 4.274
140 1HB ALA 18 HB1 ALA 18 9.039 -2.651 2.250
141 2HB ALA 18 HB2 ALA 18 9.266 -3.284 3.880
142 3HB ALA 18 HB3 ALA 18 10.332 -3.805 2.576
143 H LEU 19 HN LEU 19 10.514 -1.407 0.782
144 HA LEU 19 HA LEU 19 12.925 -2.377 -0.269
145 1HB LEU 19 HB2 LEU 19 10.674 -1.039 -1.146
146 2HB LEU 19 HB1 LEU 19 11.955 0.131 -1.463
147 HG LEU 19 HG LEU 19 13.146 -2.148 -2.348
148 1HD1 LEU 19 HD11 LEU 19 10.210 -2.404 -3.066
149 2HD1 LEU 19 HD12 LEU 19 11.043 -3.430 -1.898
150 3HD1 LEU 19 HD13 LEU 19 11.518 -3.461 -3.596
151 1HD2 LEU 19 HD21 LEU 19 11.490 -0.017 -3.650
152 2HD2 LEU 19 HD22 LEU 19 12.047 -1.364 -4.643
153 3HD2 LEU 19 HD23 LEU 19 13.217 -0.344 -3.807
154 H GLY 20 HN GLY 20 12.276 1.085 0.429
155 1HA GLY 20 HA2 GLY 20 13.836 2.455 1.733
156 2HA GLY 20 HA1 GLY 20 15.132 1.353 1.259
157 H LYS 21 HN LYS 21 13.283 1.763 -1.464
158 HA LYS 21 HA LYS 21 15.146 3.871 -2.477
159 1HB LYS 21 HB2 LYS 21 13.772 1.454 -3.532
160 2HB LYS 21 HB1 LYS 21 13.949 2.798 -4.663
161 1HG LYS 21 HG2 LYS 21 16.288 1.855 -3.011
162 2HG LYS 21 HG1 LYS 21 15.873 1.056 -4.528
163 1HD LYS 21 HD2 LYS 21 15.765 3.704 -5.249
164 2HD LYS 21 HD1 LYS 21 17.079 3.706 -4.072
165 1HE LYS 21 HE2 LYS 21 17.517 1.409 -5.646
166 2HE LYS 21 HE1 LYS 21 17.098 2.699 -6.791
167 1HZ LYS 21 HZ1 LYS 21 19.334 2.534 -4.922
168 2HZ LYS 21 HZ2 LYS 21 18.614 4.060 -5.116
169 3HZ LYS 21 HZ3 LYS 21 19.260 3.246 -6.459
170 1HN NH2 22 1HN NH2 22 13.623 5.549 -1.398
171 2HN NH2 22 2HN NH2 22 12.232 6.015 -2.251
Start of MODEL 21
1 1H SER 1 1H SER 1 -17.991 -6.288 3.907
2 2H SER 1 2H SER 1 -17.728 -4.638 4.215
3 3H SER 1 3H SER 1 -17.743 -5.753 5.497
4 HA SER 1 HA SER 1 -15.494 -5.576 5.259
5 1HB SER 1 HB2 SER 1 -16.660 -7.851 4.454
6 2HB SER 1 HB1 SER 1 -15.864 -7.427 2.941
7 HG SER 1 HG SER 1 -14.011 -7.017 4.587
8 H GLY 2 HN GLY 2 -14.047 -6.254 2.771
9 1HA GLY 2 HA2 GLY 2 -13.758 -5.239 0.539
10 2HA GLY 2 HA1 GLY 2 -14.567 -3.796 1.152
11 H SER 3 HN SER 3 -13.366 -2.283 2.336
12 HA SER 3 HA SER 3 -11.401 -1.131 2.974
13 1HB SER 3 HB2 SER 3 -11.270 -2.623 4.779
14 2HB SER 3 HB1 SER 3 -11.019 -4.017 3.733
15 HG SER 3 HG SER 3 -8.953 -3.651 3.803
16 H LEU 4 HN LEU 4 -11.451 -1.353 0.271
17 HA LEU 4 HA LEU 4 -9.141 -2.776 -0.812
18 1HB LEU 4 HB2 LEU 4 -11.295 -0.920 -1.748
19 2HB LEU 4 HB1 LEU 4 -9.871 -1.115 -2.770
20 HG LEU 4 HG LEU 4 -10.277 -3.683 -2.340
21 1HD1 LEU 4 HD11 LEU 4 -13.143 -2.815 -2.248
22 2HD1 LEU 4 HD12 LEU 4 -12.234 -2.880 -0.739
23 3HD1 LEU 4 HD13 LEU 4 -12.417 -4.333 -1.720
24 1HD2 LEU 4 HD21 LEU 4 -11.532 -3.784 -4.396
25 2HD2 LEU 4 HD22 LEU 4 -10.466 -2.384 -4.513
26 3HD2 LEU 4 HD23 LEU 4 -12.176 -2.161 -4.147
27 H SER 5 HN SER 5 -9.924 0.726 -0.743
28 HA SER 5 HA SER 5 -7.440 1.776 -1.428
29 1HB SER 5 HB2 SER 5 -9.428 2.729 0.659
30 2HB SER 5 HB1 SER 5 -8.188 3.739 -0.079
31 HG SER 5 HG SER 5 -9.167 3.167 -2.125
32 H THR 6 HN THR 6 -8.527 1.270 1.959
33 HA THR 6 HA THR 6 -6.178 1.855 3.326
34 HB THR 6 HB THR 6 -7.059 -0.105 4.842
35 HG1 THR 6 HG1 THR 6 -8.856 -1.035 4.182
36 1HG2 THR 6 HG21 THR 6 -8.425 2.452 4.080
37 2HG2 THR 6 HG22 THR 6 -7.612 2.027 5.586
38 3HG2 THR 6 HG23 THR 6 -9.211 1.371 5.231
39 H PHE 7 HN PHE 7 -7.066 -1.418 2.141
40 HA PHE 7 HA PHE 7 -4.669 -2.752 2.770
41 1HB PHE 7 HB2 PHE 7 -6.924 -3.577 1.822
42 2HB PHE 7 HB1 PHE 7 -6.264 -3.177 0.236
43 HD1 PHE 7 HD1 PHE 7 -4.717 -4.658 3.317
44 HD2 PHE 7 HD2 PHE 7 -5.632 -5.145 -0.852
45 HE1 PHE 7 HE1 PHE 7 -3.468 -6.799 3.294
46 HE2 PHE 7 HE2 PHE 7 -4.383 -7.287 -0.875
47 HZ PHE 7 HZ PHE 7 -3.300 -8.115 1.197
48 H PHE 8 HN PHE 8 -5.506 -1.292 -0.404
49 HA PHE 8 HA PHE 8 -3.038 -1.650 -1.699
50 1HB PHE 8 HB2 PHE 8 -5.397 -0.610 -2.354
51 2HB PHE 8 HB1 PHE 8 -4.570 0.909 -2.005
52 HD1 PHE 8 HD1 PHE 8 -1.771 0.065 -2.814
53 HD2 PHE 8 HD2 PHE 8 -5.578 -0.453 -4.736
54 HE1 PHE 8 HE1 PHE 8 -0.644 -0.040 -5.020
55 HE2 PHE 8 HE2 PHE 8 -4.449 -0.558 -6.942
56 HZ PHE 8 HZ PHE 8 -1.983 -0.352 -7.084
57 H ARG 9 HN ARG 9 -4.079 1.191 0.231
58 HA ARG 9 HA ARG 9 -1.676 2.684 0.046
59 1HB ARG 9 HB2 ARG 9 -3.878 2.416 2.098
60 2HB ARG 9 HB1 ARG 9 -2.568 3.579 2.305
61 1HG ARG 9 HG2 ARG 9 -3.993 3.510 -0.325
62 2HG ARG 9 HG1 ARG 9 -4.808 4.262 1.047
63 1HD ARG 9 HD2 ARG 9 -2.861 5.743 1.406
64 2HD ARG 9 HD1 ARG 9 -2.038 4.990 0.025
65 HE ARG 9 HE ARG 9 -4.624 6.486 -0.203
66 1HH1 ARG 9 HH21 ARG 9 -3.447 4.451 -2.291
67 2HH1 ARG 9 HH22 ARG 9 -2.824 5.571 -3.457
68 1HH2 ARG 9 HH11 ARG 9 -3.043 8.307 -1.339
69 2HH2 ARG 9 HH12 ARG 9 -2.595 7.754 -2.918
70 H LEU 10 HN LEU 10 -2.683 0.349 2.574
71 HA LEU 10 HA LEU 10 -0.371 0.478 4.198
72 1HB LEU 10 HB2 LEU 10 -2.743 -0.874 4.150
73 2HB LEU 10 HB1 LEU 10 -1.616 -2.176 3.772
74 HG LEU 10 HG LEU 10 -0.750 -0.389 5.958
75 1HD1 LEU 10 HD11 LEU 10 -3.260 -2.058 6.118
76 2HD1 LEU 10 HD12 LEU 10 -3.011 -0.397 6.656
77 3HD1 LEU 10 HD13 LEU 10 -2.283 -1.732 7.549
78 1HD2 LEU 10 HD21 LEU 10 0.085 -2.757 4.999
79 2HD2 LEU 10 HD22 LEU 10 -1.056 -3.346 6.207
80 3HD2 LEU 10 HD23 LEU 10 0.287 -2.312 6.694
81 H PHE 11 HN PHE 11 -1.065 -1.826 1.534
82 HA PHE 11 HA PHE 11 1.435 -3.172 1.556
83 1HB PHE 11 HB2 PHE 11 -0.908 -3.402 0.248
84 2HB PHE 11 HB1 PHE 11 0.044 -2.640 -1.027
85 HD1 PHE 11 HD1 PHE 11 2.748 -3.811 -0.054
86 HD2 PHE 11 HD2 PHE 11 -1.091 -5.568 -0.845
87 HE1 PHE 11 HE1 PHE 11 3.843 -5.983 -0.539
88 HE2 PHE 11 HE2 PHE 11 0.004 -7.741 -1.330
89 HZ PHE 11 HZ PHE 11 2.470 -7.948 -1.177
90 H ASN 12 HN ASN 12 0.391 -0.342 -0.377
91 HA ASN 12 HA ASN 12 2.818 0.049 -1.810
92 1HB ASN 12 HB2 ASN 12 0.767 1.151 -2.426
93 2HB ASN 12 HB1 ASN 12 0.631 1.909 -0.839
94 1HD2 ASN 12 HD21 ASN 12 0.539 3.870 -2.527
95 2HD2 ASN 12 HD22 ASN 12 2.034 4.608 -2.845
96 H ARG 13 HN ARG 13 1.710 1.595 1.233
97 HA ARG 13 HA ARG 13 4.026 3.153 1.738
98 1HB ARG 13 HB2 ARG 13 1.884 1.853 3.419
99 2HB ARG 13 HB1 ARG 13 3.170 2.794 4.176
100 1HG ARG 13 HG2 ARG 13 2.077 4.203 1.886
101 2HG ARG 13 HG1 ARG 13 0.805 3.798 3.040
102 1HD ARG 13 HD2 ARG 13 3.393 4.949 4.061
103 2HD ARG 13 HD1 ARG 13 2.156 6.027 3.383
104 HE ARG 13 HE ARG 13 1.133 4.051 5.301
105 1HH1 ARG 13 HH21 ARG 13 1.025 7.227 4.339
106 2HH1 ARG 13 HH22 ARG 13 0.920 7.907 5.929
107 1HH2 ARG 13 HH11 ARG 13 1.581 4.911 7.543
108 2HH2 ARG 13 HH12 ARG 13 1.234 6.596 7.742
109 H SER 14 HN SER 14 3.222 -0.118 2.978
110 HA SER 14 HA SER 14 5.627 -0.595 4.396
111 1HB SER 14 HB2 SER 14 3.936 -2.568 2.831
112 2HB SER 14 HB1 SER 14 4.935 -2.926 4.237
113 HG SER 14 HG SER 14 3.327 -2.319 5.429
114 H PHE 15 HN PHE 15 4.819 -1.350 0.991
115 HA PHE 15 HA PHE 15 7.292 -2.583 0.292
116 1HB PHE 15 HB2 PHE 15 5.263 -2.701 -1.060
117 2HB PHE 15 HB1 PHE 15 5.286 -0.954 -1.300
118 HD1 PHE 15 HD1 PHE 15 6.480 -0.007 -3.096
119 HD2 PHE 15 HD2 PHE 15 7.305 -4.046 -1.889
120 HE1 PHE 15 HE1 PHE 15 7.957 -0.295 -5.067
121 HE2 PHE 15 HE2 PHE 15 8.782 -4.333 -3.861
122 HZ PHE 15 HZ PHE 15 9.108 -2.458 -5.449
123 H THR 16 HN THR 16 6.234 0.799 -0.292
124 HA THR 16 HA THR 16 8.675 1.790 -1.321
125 HB THR 16 HB THR 16 6.485 3.062 0.348
126 HG1 THR 16 HG1 THR 16 6.991 3.208 -2.430
127 1HG2 THR 16 HG21 THR 16 9.022 4.129 -0.424
128 2HG2 THR 16 HG22 THR 16 7.688 4.957 0.379
129 3HG2 THR 16 HG23 THR 16 7.774 4.925 -1.383
130 H GLN 17 HN GLN 17 7.587 1.453 2.054
131 HA GLN 17 HA GLN 17 9.900 2.780 3.205
132 1HB GLN 17 HB2 GLN 17 7.643 1.022 4.157
133 2HB GLN 17 HB1 GLN 17 8.936 1.486 5.263
134 1HG GLN 17 HG2 GLN 17 8.055 3.798 3.782
135 2HG GLN 17 HG1 GLN 17 6.669 3.016 4.543
136 1HE2 GLN 17 HE21 GLN 17 7.813 5.582 5.397
137 2HE2 GLN 17 HE22 GLN 17 8.378 5.366 6.982
138 H ALA 18 HN ALA 18 8.914 -0.675 3.212
139 HA ALA 18 HA ALA 18 11.284 -1.772 4.259
140 1HB ALA 18 HB1 ALA 18 9.995 -3.276 2.070
141 2HB ALA 18 HB2 ALA 18 8.874 -2.653 3.280
142 3HB ALA 18 HB3 ALA 18 10.195 -3.716 3.765
143 H LEU 19 HN LEU 19 10.548 -0.769 0.938
144 HA LEU 19 HA LEU 19 12.830 -1.937 -0.343
145 1HB LEU 19 HB2 LEU 19 10.736 0.080 -0.858
146 2HB LEU 19 HB1 LEU 19 12.222 0.329 -1.774
147 HG LEU 19 HG LEU 19 10.584 -1.137 -2.966
148 1HD1 LEU 19 HD11 LEU 19 12.206 -2.815 -3.608
149 2HD1 LEU 19 HD12 LEU 19 13.070 -2.631 -2.081
150 3HD1 LEU 19 HD13 LEU 19 13.081 -1.323 -3.265
151 1HD2 LEU 19 HD21 LEU 19 10.504 -3.535 -1.982
152 2HD2 LEU 19 HD22 LEU 19 9.480 -2.310 -1.233
153 3HD2 LEU 19 HD23 LEU 19 10.998 -2.781 -0.467
154 H GLY 20 HN GLY 20 12.303 1.403 0.858
155 1HA GLY 20 HA2 GLY 20 15.195 1.953 0.554
156 2HA GLY 20 HA1 GLY 20 13.958 3.138 0.985
157 H LYS 21 HN LYS 21 13.327 0.478 2.865
158 HA LYS 21 HA LYS 21 15.234 1.295 5.020
159 1HB LYS 21 HB2 LYS 21 13.048 2.520 5.158
160 2HB LYS 21 HB1 LYS 21 12.230 0.964 5.299
161 1HG LYS 21 HG2 LYS 21 14.273 0.843 7.202
162 2HG LYS 21 HG1 LYS 21 13.646 2.486 7.337
163 1HD LYS 21 HD2 LYS 21 11.431 1.717 7.755
164 2HD LYS 21 HD1 LYS 21 11.825 0.075 7.246
165 1HE LYS 21 HE2 LYS 21 13.599 0.230 9.216
166 2HE LYS 21 HE1 LYS 21 12.474 1.460 9.826
167 1HZ LYS 21 HZ1 LYS 21 12.017 -1.395 9.338
168 2HZ LYS 21 HZ2 LYS 21 10.722 -0.324 9.088
169 3HZ LYS 21 HZ3 LYS 21 11.467 -0.420 10.611
170 1HN NH2 22 1HN NH2 22 16.211 -0.894 4.437
171 2HN NH2 22 2HN NH2 22 15.473 -2.305 5.028
Start of MODEL 22
1 1H SER 1 1H SER 1 -14.778 -5.002 -7.090
2 2H SER 1 2H SER 1 -15.605 -4.306 -5.781
3 3H SER 1 3H SER 1 -14.667 -5.703 -5.550
4 HA SER 1 HA SER 1 -12.762 -4.150 -6.479
5 1HB SER 1 HB2 SER 1 -15.022 -2.424 -5.473
6 2HB SER 1 HB1 SER 1 -13.358 -1.849 -5.417
7 HG SER 1 HG SER 1 -13.713 -1.332 -7.424
8 H GLY 2 HN GLY 2 -11.854 -5.671 -4.934
9 1HA GLY 2 HA2 GLY 2 -12.287 -4.952 -2.067
10 2HA GLY 2 HA1 GLY 2 -11.701 -6.519 -2.625
11 H SER 3 HN SER 3 -10.496 -3.579 -4.070
12 HA SER 3 HA SER 3 -7.849 -4.103 -2.760
13 1HB SER 3 HB2 SER 3 -8.091 -2.492 -5.249
14 2HB SER 3 HB1 SER 3 -6.905 -3.723 -4.823
15 HG SER 3 HG SER 3 -8.262 -5.273 -5.470
16 H LEU 4 HN LEU 4 -6.739 -1.603 -3.706
17 HA LEU 4 HA LEU 4 -6.443 0.587 -2.855
18 1HB LEU 4 HB2 LEU 4 -8.842 0.291 -4.189
19 2HB LEU 4 HB1 LEU 4 -9.349 1.018 -2.664
20 HG LEU 4 HG LEU 4 -7.048 2.438 -3.371
21 1HD1 LEU 4 HD11 LEU 4 -8.787 1.843 -5.779
22 2HD1 LEU 4 HD12 LEU 4 -7.047 1.596 -5.624
23 3HD1 LEU 4 HD13 LEU 4 -7.703 3.232 -5.693
24 1HD2 LEU 4 HD21 LEU 4 -9.828 3.347 -4.102
25 2HD2 LEU 4 HD22 LEU 4 -8.510 4.282 -3.395
26 3HD2 LEU 4 HD23 LEU 4 -9.385 3.106 -2.412
27 H SER 5 HN SER 5 -8.585 1.890 -1.192
28 HA SER 5 HA SER 5 -8.994 2.190 1.117
29 1HB SER 5 HB2 SER 5 -9.117 -0.808 0.712
30 2HB SER 5 HB1 SER 5 -9.578 -0.036 2.226
31 HG SER 5 HG SER 5 -10.909 1.345 0.679
32 H THR 6 HN THR 6 -8.166 1.196 3.390
33 HA THR 6 HA THR 6 -5.471 1.808 3.748
34 HB THR 6 HB THR 6 -6.868 -0.395 5.271
35 HG1 THR 6 HG1 THR 6 -7.412 2.385 5.258
36 1HG2 THR 6 HG21 THR 6 -4.487 0.689 5.728
37 2HG2 THR 6 HG22 THR 6 -5.574 0.292 7.059
38 3HG2 THR 6 HG23 THR 6 -5.465 1.953 6.476
39 H PHE 7 HN PHE 7 -6.838 -1.469 3.236
40 HA PHE 7 HA PHE 7 -4.598 -3.075 3.355
41 1HB PHE 7 HB2 PHE 7 -7.186 -3.200 2.344
42 2HB PHE 7 HB1 PHE 7 -6.183 -3.547 0.935
43 HD1 PHE 7 HD1 PHE 7 -6.496 -4.450 4.563
44 HD2 PHE 7 HD2 PHE 7 -5.388 -5.721 0.612
45 HE1 PHE 7 HE1 PHE 7 -6.089 -6.744 5.414
46 HE2 PHE 7 HE2 PHE 7 -4.983 -8.014 1.462
47 HZ PHE 7 HZ PHE 7 -5.334 -8.526 3.864
48 H PHE 8 HN PHE 8 -5.670 -1.663 0.235
49 HA PHE 8 HA PHE 8 -3.253 -2.159 -1.173
50 1HB PHE 8 HB2 PHE 8 -5.719 -1.270 -1.773
51 2HB PHE 8 HB1 PHE 8 -4.872 0.278 -1.765
52 HD1 PHE 8 HD1 PHE 8 -4.548 -3.214 -3.094
53 HD2 PHE 8 HD2 PHE 8 -3.702 0.957 -3.675
54 HE1 PHE 8 HE1 PHE 8 -3.609 -3.716 -5.334
55 HE2 PHE 8 HE2 PHE 8 -2.764 0.455 -5.914
56 HZ PHE 8 HZ PHE 8 -2.717 -1.882 -6.744
57 H ARG 9 HN ARG 9 -4.336 0.801 0.529
58 HA ARG 9 HA ARG 9 -2.085 2.435 -0.008
59 1HB ARG 9 HB2 ARG 9 -4.452 2.559 1.413
60 2HB ARG 9 HB1 ARG 9 -3.239 2.646 2.691
61 1HG ARG 9 HG2 ARG 9 -3.531 4.900 2.060
62 2HG ARG 9 HG1 ARG 9 -2.081 4.410 1.182
63 1HD ARG 9 HD2 ARG 9 -3.114 4.576 -0.854
64 2HD ARG 9 HD1 ARG 9 -4.640 3.912 -0.238
65 HE ARG 9 HE ARG 9 -3.769 6.750 0.052
66 1HH1 ARG 9 HH11 ARG 9 -5.411 5.733 2.368
67 2HH1 ARG 9 HH12 ARG 9 -7.018 6.130 1.861
68 1HH2 ARG 9 HH21 ARG 9 -6.138 6.620 -1.457
69 2HH2 ARG 9 HH22 ARG 9 -7.430 6.632 -0.304
70 H LEU 10 HN LEU 10 -2.657 0.200 2.733
71 HA LEU 10 HA LEU 10 -0.169 0.657 4.067
72 1HB LEU 10 HB2 LEU 10 -2.448 -0.658 4.603
73 2HB LEU 10 HB1 LEU 10 -1.470 -2.032 4.083
74 HG LEU 10 HG LEU 10 -1.166 -1.813 6.461
75 1HD1 LEU 10 HD11 LEU 10 1.265 -0.413 5.375
76 2HD1 LEU 10 HD12 LEU 10 0.880 -2.050 4.842
77 3HD1 LEU 10 HD13 LEU 10 1.174 -1.724 6.550
78 1HD2 LEU 10 HD21 LEU 10 0.008 0.581 7.031
79 2HD2 LEU 10 HD22 LEU 10 -1.718 0.271 7.222
80 3HD2 LEU 10 HD23 LEU 10 -1.121 1.068 5.767
81 H PHE 11 HN PHE 11 -1.127 -1.813 1.661
82 HA PHE 11 HA PHE 11 1.320 -3.252 1.565
83 1HB PHE 11 HB2 PHE 11 -1.134 -2.895 0.011
84 2HB PHE 11 HB1 PHE 11 0.256 -3.265 -1.010
85 HD1 PHE 11 HD1 PHE 11 -0.924 -4.327 2.399
86 HD2 PHE 11 HD2 PHE 11 0.474 -5.530 -1.481
87 HE1 PHE 11 HE1 PHE 11 -1.043 -6.704 3.092
88 HE2 PHE 11 HE2 PHE 11 0.356 -7.908 -0.786
89 HZ PHE 11 HZ PHE 11 -0.404 -8.495 1.501
90 H ASN 12 HN ASN 12 0.223 -0.524 -0.491
91 HA ASN 12 HA ASN 12 2.634 -0.280 -2.011
92 1HB ASN 12 HB2 ASN 12 0.450 1.669 -1.217
93 2HB ASN 12 HB1 ASN 12 1.681 2.028 -2.429
94 1HD2 ASN 12 HD21 ASN 12 1.586 0.861 -4.473
95 2HD2 ASN 12 HD22 ASN 12 0.219 -0.039 -4.920
96 H ARG 13 HN ARG 13 1.500 1.711 0.755
97 HA ARG 13 HA ARG 13 3.832 3.260 1.111
98 1HB ARG 13 HB2 ARG 13 1.534 2.312 2.759
99 2HB ARG 13 HB1 ARG 13 2.895 3.022 3.625
100 1HG ARG 13 HG2 ARG 13 2.397 5.107 2.906
101 2HG ARG 13 HG1 ARG 13 2.152 4.558 1.247
102 1HD ARG 13 HD2 ARG 13 -0.065 4.921 1.601
103 2HD ARG 13 HD1 ARG 13 -0.027 3.491 2.653
104 HE ARG 13 HE ARG 13 -0.349 6.138 3.610
105 1HH1 ARG 13 HH21 ARG 13 0.628 3.047 4.508
106 2HH1 ARG 13 HH22 ARG 13 1.395 3.530 5.984
107 1HH2 ARG 13 HH11 ARG 13 1.087 6.924 5.344
108 2HH2 ARG 13 HH12 ARG 13 1.655 5.725 6.457
109 H SER 14 HN SER 14 2.980 0.154 2.689
110 HA SER 14 HA SER 14 5.349 -0.158 4.224
111 1HB SER 14 HB2 SER 14 3.547 -1.596 4.684
112 2HB SER 14 HB1 SER 14 3.295 -1.977 2.984
113 HG SER 14 HG SER 14 4.440 -3.552 4.485
114 H PHE 15 HN PHE 15 4.600 -1.353 0.930
115 HA PHE 15 HA PHE 15 7.058 -2.668 0.410
116 1HB PHE 15 HB2 PHE 15 4.689 -1.789 -0.959
117 2HB PHE 15 HB1 PHE 15 6.093 -1.410 -1.957
118 HD1 PHE 15 HD1 PHE 15 5.919 -3.078 -3.653
119 HD2 PHE 15 HD2 PHE 15 5.792 -4.194 0.493
120 HE1 PHE 15 HE1 PHE 15 6.112 -5.466 -4.290
121 HE2 PHE 15 HE2 PHE 15 5.985 -6.583 -0.144
122 HZ PHE 15 HZ PHE 15 6.146 -7.219 -2.535
123 H THR 16 HN THR 16 6.108 0.702 -0.375
124 HA THR 16 HA THR 16 8.591 1.527 -1.492
125 HB THR 16 HB THR 16 6.330 2.912 -0.041
126 HG1 THR 16 HG1 THR 16 5.558 2.996 -1.979
127 1HG2 THR 16 HG21 THR 16 8.338 4.262 0.323
128 2HG2 THR 16 HG22 THR 16 7.293 5.049 -0.860
129 3HG2 THR 16 HG23 THR 16 8.729 4.175 -1.394
130 H GLN 17 HN GLN 17 7.410 1.695 1.881
131 HA GLN 17 HA GLN 17 9.788 2.948 2.938
132 1HB GLN 17 HB2 GLN 17 7.265 2.498 3.790
133 2HB GLN 17 HB1 GLN 17 8.084 1.175 4.621
134 1HG GLN 17 HG2 GLN 17 9.720 2.803 5.548
135 2HG GLN 17 HG1 GLN 17 8.827 4.112 4.774
136 1HE2 GLN 17 HE21 GLN 17 8.735 4.681 7.287
137 2HE2 GLN 17 HE22 GLN 17 7.368 4.101 8.109
138 H ALA 18 HN ALA 18 8.614 -0.440 3.133
139 HA ALA 18 HA ALA 18 10.829 -1.591 4.427
140 1HB ALA 18 HB1 ALA 18 8.811 -2.516 2.391
141 2HB ALA 18 HB2 ALA 18 8.918 -2.924 4.104
142 3HB ALA 18 HB3 ALA 18 10.062 -3.623 2.957
143 H LEU 19 HN LEU 19 10.337 -1.074 0.920
144 HA LEU 19 HA LEU 19 12.720 -2.285 -0.021
145 1HB LEU 19 HB2 LEU 19 10.982 0.010 -0.941
146 2HB LEU 19 HB1 LEU 19 12.357 -0.542 -1.898
147 HG LEU 19 HG LEU 19 10.265 -2.478 -0.910
148 1HD1 LEU 19 HD11 LEU 19 10.239 -1.134 -3.622
149 2HD1 LEU 19 HD12 LEU 19 9.261 -0.560 -2.271
150 3HD1 LEU 19 HD13 LEU 19 9.004 -2.181 -2.919
151 1HD2 LEU 19 HD21 LEU 19 12.690 -2.586 -2.479
152 2HD2 LEU 19 HD22 LEU 19 11.322 -3.126 -3.453
153 3HD2 LEU 19 HD23 LEU 19 11.678 -3.918 -1.917
154 H GLY 20 HN GLY 20 12.137 1.097 0.996
155 1HA GLY 20 HA2 GLY 20 13.680 2.630 1.925
156 2HA GLY 20 HA1 GLY 20 14.912 1.366 1.867
157 H LYS 21 HN LYS 21 13.557 1.418 -1.161
158 HA LYS 21 HA LYS 21 15.406 3.558 -2.148
159 1HB LYS 21 HB2 LYS 21 15.096 0.713 -3.165
160 2HB LYS 21 HB1 LYS 21 16.135 1.942 -3.887
161 1HG LYS 21 HG2 LYS 21 17.765 1.489 -2.406
162 2HG LYS 21 HG1 LYS 21 16.664 1.785 -1.060
163 1HD LYS 21 HD2 LYS 21 17.121 -0.443 -0.674
164 2HD LYS 21 HD1 LYS 21 15.750 -0.623 -1.767
165 1HE LYS 21 HE2 LYS 21 17.757 -0.438 -3.586
166 2HE LYS 21 HE1 LYS 21 18.620 -1.211 -2.242
167 1HZ LYS 21 HZ1 LYS 21 15.919 -2.112 -3.015
168 2HZ LYS 21 HZ2 LYS 21 17.122 -2.959 -2.167
169 3HZ LYS 21 HZ3 LYS 21 17.280 -2.698 -3.838
170 1HN NH2 22 1HN NH2 22 14.863 3.986 -4.607
171 2HN NH2 22 2HN NH2 22 13.222 3.947 -5.037
Start of MODEL 23
1 1H SER 1 1H SER 1 -15.552 -0.879 -2.587
2 2H SER 1 2H SER 1 -16.292 -2.289 -1.997
3 3H SER 1 3H SER 1 -14.603 -2.218 -2.160
4 HA SER 1 HA SER 1 -14.688 -0.295 -0.502
5 1HB SER 1 HB2 SER 1 -17.082 0.085 -0.776
6 2HB SER 1 HB1 SER 1 -17.434 -1.570 -0.291
7 HG SER 1 HG SER 1 -17.245 0.523 1.255
8 H GLY 2 HN GLY 2 -15.399 -3.684 -0.844
9 1HA GLY 2 HA2 GLY 2 -14.836 -4.426 1.905
10 2HA GLY 2 HA1 GLY 2 -14.911 -5.533 0.533
11 H SER 3 HN SER 3 -12.809 -3.376 2.352
12 HA SER 3 HA SER 3 -10.451 -3.308 2.495
13 1HB SER 3 HB2 SER 3 -10.215 -5.505 3.075
14 2HB SER 3 HB1 SER 3 -11.296 -6.051 1.796
15 HG SER 3 HG SER 3 -9.642 -6.277 0.493
16 H LEU 4 HN LEU 4 -10.058 -1.655 0.935
17 HA LEU 4 HA LEU 4 -8.915 -2.627 -1.627
18 1HB LEU 4 HB2 LEU 4 -11.515 -1.920 -1.560
19 2HB LEU 4 HB1 LEU 4 -10.800 -0.322 -1.785
20 HG LEU 4 HG LEU 4 -9.617 -2.394 -3.504
21 1HD1 LEU 4 HD11 LEU 4 -12.488 -1.537 -3.979
22 2HD1 LEU 4 HD12 LEU 4 -12.011 -3.135 -3.405
23 3HD1 LEU 4 HD13 LEU 4 -11.518 -2.591 -5.008
24 1HD2 LEU 4 HD21 LEU 4 -9.062 -0.108 -3.902
25 2HD2 LEU 4 HD22 LEU 4 -10.751 0.393 -3.823
26 3HD2 LEU 4 HD23 LEU 4 -10.174 -0.546 -5.199
27 H SER 5 HN SER 5 -9.949 0.561 -0.367
28 HA SER 5 HA SER 5 -7.603 1.948 -1.208
29 1HB SER 5 HB2 SER 5 -9.430 3.305 -0.739
30 2HB SER 5 HB1 SER 5 -9.883 2.372 0.686
31 HG SER 5 HG SER 5 -8.930 3.991 1.664
32 H THR 6 HN THR 6 -8.474 1.517 2.227
33 HA THR 6 HA THR 6 -6.021 1.959 3.412
34 HB THR 6 HB THR 6 -6.857 0.428 5.189
35 HG1 THR 6 HG1 THR 6 -8.225 -1.087 4.706
36 1HG2 THR 6 HG21 THR 6 -8.023 2.337 5.570
37 2HG2 THR 6 HG22 THR 6 -9.391 1.445 4.907
38 3HG2 THR 6 HG23 THR 6 -8.454 2.520 3.870
39 H PHE 7 HN PHE 7 -7.112 -1.117 1.963
40 HA PHE 7 HA PHE 7 -4.858 -2.713 2.647
41 1HB PHE 7 HB2 PHE 7 -7.163 -3.267 1.585
42 2HB PHE 7 HB1 PHE 7 -6.385 -2.889 0.048
43 HD1 PHE 7 HD1 PHE 7 -5.892 -4.941 3.145
44 HD2 PHE 7 HD2 PHE 7 -5.157 -4.542 -1.069
45 HE1 PHE 7 HE1 PHE 7 -4.860 -7.196 3.110
46 HE2 PHE 7 HE2 PHE 7 -4.124 -6.796 -1.102
47 HZ PHE 7 HZ PHE 7 -3.976 -8.124 0.987
48 H PHE 8 HN PHE 8 -5.499 -1.117 -0.507
49 HA PHE 8 HA PHE 8 -2.963 -1.563 -1.669
50 1HB PHE 8 HB2 PHE 8 -5.218 -0.587 -2.562
51 2HB PHE 8 HB1 PHE 8 -4.553 0.968 -2.062
52 HD1 PHE 8 HD1 PHE 8 -1.961 1.279 -2.766
53 HD2 PHE 8 HD2 PHE 8 -4.812 -1.244 -4.756
54 HE1 PHE 8 HE1 PHE 8 -0.591 1.360 -4.833
55 HE2 PHE 8 HE2 PHE 8 -3.442 -1.162 -6.823
56 HZ PHE 8 HZ PHE 8 -1.333 0.141 -6.860
57 H ARG 9 HN ARG 9 -4.084 1.250 0.244
58 HA ARG 9 HA ARG 9 -1.729 2.810 0.130
59 1HB ARG 9 HB2 ARG 9 -4.183 3.026 1.225
60 2HB ARG 9 HB1 ARG 9 -3.263 2.643 2.681
61 1HG ARG 9 HG2 ARG 9 -1.609 4.481 1.700
62 2HG ARG 9 HG1 ARG 9 -3.079 5.038 0.897
63 1HD ARG 9 HD2 ARG 9 -4.235 5.149 3.088
64 2HD ARG 9 HD1 ARG 9 -2.742 4.620 3.890
65 HE ARG 9 HE ARG 9 -2.075 6.875 3.716
66 1HH1 ARG 9 HH21 ARG 9 -4.700 6.505 1.645
67 2HH1 ARG 9 HH22 ARG 9 -4.224 7.750 0.539
68 1HH2 ARG 9 HH11 ARG 9 -1.123 8.239 2.013
69 2HH2 ARG 9 HH12 ARG 9 -2.198 8.732 0.747
70 H LEU 10 HN LEU 10 -2.672 0.437 2.652
71 HA LEU 10 HA LEU 10 -0.283 0.566 4.182
72 1HB LEU 10 HB2 LEU 10 -2.707 -0.774 4.202
73 2HB LEU 10 HB1 LEU 10 -1.542 -2.078 3.961
74 HG LEU 10 HG LEU 10 -1.046 0.017 6.062
75 1HD1 LEU 10 HD11 LEU 10 -3.225 -1.905 6.016
76 2HD1 LEU 10 HD12 LEU 10 -2.878 -0.644 7.198
77 3HD1 LEU 10 HD13 LEU 10 -2.122 -2.229 7.352
78 1HD2 LEU 10 HD21 LEU 10 0.805 -1.293 6.167
79 2HD2 LEU 10 HD22 LEU 10 0.054 -2.572 5.214
80 3HD2 LEU 10 HD23 LEU 10 -0.239 -2.478 6.951
81 H PHE 11 HN PHE 11 -1.165 -1.691 1.540
82 HA PHE 11 HA PHE 11 1.208 -3.225 1.488
83 1HB PHE 11 HB2 PHE 11 -0.839 -3.744 0.245
84 2HB PHE 11 HB1 PHE 11 -0.630 -2.298 -0.743
85 HD1 PHE 11 HD1 PHE 11 0.097 -2.782 -2.898
86 HD2 PHE 11 HD2 PHE 11 1.619 -5.088 0.393
87 HE1 PHE 11 HE1 PHE 11 1.544 -4.057 -4.459
88 HE2 PHE 11 HE2 PHE 11 3.065 -6.361 -1.169
89 HZ PHE 11 HZ PHE 11 3.027 -5.846 -3.594
90 H ASN 12 HN ASN 12 0.445 -0.231 -0.328
91 HA ASN 12 HA ASN 12 2.961 -0.010 -1.671
92 1HB ASN 12 HB2 ASN 12 0.848 1.181 -2.228
93 2HB ASN 12 HB1 ASN 12 1.014 2.131 -0.751
94 1HD2 ASN 12 HD21 ASN 12 1.642 4.196 -1.434
95 2HD2 ASN 12 HD22 ASN 12 2.911 4.510 -2.517
96 H ARG 13 HN ARG 13 1.797 1.773 1.221
97 HA ARG 13 HA ARG 13 4.146 3.128 1.902
98 1HB ARG 13 HB2 ARG 13 1.685 2.197 3.172
99 2HB ARG 13 HB1 ARG 13 3.025 2.287 4.316
100 1HG ARG 13 HG2 ARG 13 2.582 4.564 2.415
101 2HG ARG 13 HG1 ARG 13 1.552 4.426 3.840
102 1HD ARG 13 HD2 ARG 13 3.356 4.698 5.329
103 2HD ARG 13 HD1 ARG 13 4.554 4.235 4.104
104 HE ARG 13 HE ARG 13 2.950 6.654 3.529
105 1HH1 ARG 13 HH11 ARG 13 5.346 6.115 5.727
106 2HH1 ARG 13 HH12 ARG 13 6.539 7.126 4.983
107 1HH2 ARG 13 HH21 ARG 13 4.720 7.580 2.066
108 2HH2 ARG 13 HH22 ARG 13 6.184 7.956 2.910
109 H SER 14 HN SER 14 3.205 -0.186 2.882
110 HA SER 14 HA SER 14 5.550 -0.755 4.423
111 1HB SER 14 HB2 SER 14 3.201 -1.940 4.056
112 2HB SER 14 HB1 SER 14 4.095 -2.847 2.839
113 HG SER 14 HG SER 14 4.175 -3.009 5.550
114 H PHE 15 HN PHE 15 4.749 -1.609 1.031
115 HA PHE 15 HA PHE 15 7.252 -2.831 0.401
116 1HB PHE 15 HB2 PHE 15 4.856 -2.548 -0.793
117 2HB PHE 15 HB1 PHE 15 5.739 -1.291 -1.660
118 HD1 PHE 15 HD1 PHE 15 8.494 -2.727 -1.338
119 HD2 PHE 15 HD2 PHE 15 4.643 -4.014 -2.738
120 HE1 PHE 15 HE1 PHE 15 9.584 -4.457 -2.742
121 HE2 PHE 15 HE2 PHE 15 5.731 -5.744 -4.143
122 HZ PHE 15 HZ PHE 15 8.202 -5.965 -4.145
123 H THR 16 HN THR 16 6.112 0.523 -0.143
124 HA THR 16 HA THR 16 8.519 1.506 -1.332
125 HB THR 16 HB THR 16 6.250 2.752 0.238
126 HG1 THR 16 HG1 THR 16 5.857 3.536 -1.969
127 1HG2 THR 16 HG21 THR 16 7.051 4.933 -0.557
128 2HG2 THR 16 HG22 THR 16 8.451 4.159 -1.300
129 3HG2 THR 16 HG23 THR 16 8.272 4.163 0.455
130 H GLN 17 HN GLN 17 7.419 1.467 2.068
131 HA GLN 17 HA GLN 17 9.644 2.884 3.178
132 1HB GLN 17 HB2 GLN 17 7.608 2.560 4.416
133 2HB GLN 17 HB1 GLN 17 7.706 0.808 4.233
134 1HG GLN 17 HG2 GLN 17 9.008 0.626 6.060
135 2HG GLN 17 HG1 GLN 17 10.131 1.835 5.437
136 1HE2 GLN 17 HE21 GLN 17 10.053 2.349 7.946
137 2HE2 GLN 17 HE22 GLN 17 8.896 3.493 8.425
138 H ALA 18 HN ALA 18 9.051 -0.638 2.860
139 HA ALA 18 HA ALA 18 11.534 -1.493 3.991
140 1HB ALA 18 HB1 ALA 18 9.883 -3.130 3.792
141 2HB ALA 18 HB2 ALA 18 10.909 -3.528 2.414
142 3HB ALA 18 HB3 ALA 18 9.423 -2.609 2.172
143 H LEU 19 HN LEU 19 10.581 -0.905 0.592
144 HA LEU 19 HA LEU 19 12.934 -1.694 -0.722
145 1HB LEU 19 HB2 LEU 19 10.693 -0.840 -1.620
146 2HB LEU 19 HB1 LEU 19 11.320 0.788 -1.356
147 HG LEU 19 HG LEU 19 13.003 -1.174 -2.872
148 1HD1 LEU 19 HD11 LEU 19 11.794 -1.035 -4.824
149 2HD1 LEU 19 HD12 LEU 19 11.117 0.541 -4.416
150 3HD1 LEU 19 HD13 LEU 19 10.454 -0.919 -3.683
151 1HD2 LEU 19 HD21 LEU 19 13.633 0.957 -4.043
152 2HD2 LEU 19 HD22 LEU 19 13.953 0.996 -2.310
153 3HD2 LEU 19 HD23 LEU 19 12.540 1.824 -2.964
154 H GLY 20 HN GLY 20 12.216 1.431 0.852
155 1HA GLY 20 HA2 GLY 20 14.838 2.531 0.174
156 2HA GLY 20 HA1 GLY 20 13.639 3.286 1.227
157 H LYS 21 HN LYS 21 13.937 0.169 2.321
158 HA LYS 21 HA LYS 21 16.142 0.918 4.216
159 1HB LYS 21 HB2 LYS 21 13.604 0.936 4.914
160 2HB LYS 21 HB1 LYS 21 13.799 -0.817 4.958
161 1HG LYS 21 HG2 LYS 21 15.930 -0.294 6.376
162 2HG LYS 21 HG1 LYS 21 15.168 1.275 6.632
163 1HD LYS 21 HD2 LYS 21 13.644 0.413 8.061
164 2HD LYS 21 HD1 LYS 21 13.298 -0.945 6.989
165 1HE LYS 21 HE2 LYS 21 14.699 -2.335 8.127
166 2HE LYS 21 HE1 LYS 21 15.956 -1.089 8.263
167 1HZ LYS 21 HZ1 LYS 21 14.198 0.019 9.814
168 2HZ LYS 21 HZ2 LYS 21 15.223 -1.192 10.420
169 3HZ LYS 21 HZ3 LYS 21 13.623 -1.567 9.987
170 1HN NH2 22 1HN NH2 22 16.611 -0.658 1.833
171 2HN NH2 22 2HN NH2 22 16.947 -2.254 2.307
Start of MODEL 24
1 1H SER 1 1H SER 1 -20.743 -2.734 1.171
2 2H SER 1 2H SER 1 -20.379 -2.185 2.737
3 3H SER 1 3H SER 1 -20.905 -3.781 2.495
4 HA SER 1 HA SER 1 -18.554 -3.867 2.836
5 1HB SER 1 HB2 SER 1 -18.731 -4.066 -0.122
6 2HB SER 1 HB1 SER 1 -18.267 -5.289 1.058
7 HG SER 1 HG SER 1 -20.511 -5.408 1.626
8 H GLY 2 HN GLY 2 -16.678 -2.673 2.841
9 1HA GLY 2 HA2 GLY 2 -16.651 -0.073 1.491
10 2HA GLY 2 HA1 GLY 2 -15.389 -0.704 2.550
11 H SER 3 HN SER 3 -13.796 -0.019 0.957
12 HA SER 3 HA SER 3 -13.724 -1.765 -1.484
13 1HB SER 3 HB2 SER 3 -13.967 0.588 -2.013
14 2HB SER 3 HB1 SER 3 -12.672 1.020 -0.900
15 HG SER 3 HG SER 3 -11.756 0.944 -2.897
16 H LEU 4 HN LEU 4 -10.935 -0.883 -1.962
17 HA LEU 4 HA LEU 4 -9.575 -2.468 0.195
18 1HB LEU 4 HB2 LEU 4 -9.188 -2.299 -2.806
19 2HB LEU 4 HB1 LEU 4 -8.021 -3.079 -1.736
20 HG LEU 4 HG LEU 4 -10.514 -4.111 -0.963
21 1HD1 LEU 4 HD11 LEU 4 -11.694 -3.484 -2.893
22 2HD1 LEU 4 HD12 LEU 4 -11.135 -5.107 -3.296
23 3HD1 LEU 4 HD13 LEU 4 -10.288 -3.700 -3.937
24 1HD2 LEU 4 HD21 LEU 4 -9.423 -6.059 -2.549
25 2HD2 LEU 4 HD22 LEU 4 -8.896 -5.717 -0.901
26 3HD2 LEU 4 HD23 LEU 4 -8.023 -5.023 -2.268
27 H SER 5 HN SER 5 -9.942 0.611 -0.832
28 HA SER 5 HA SER 5 -7.521 1.810 -1.407
29 1HB SER 5 HB2 SER 5 -9.875 2.759 -0.859
30 2HB SER 5 HB1 SER 5 -9.311 2.816 0.809
31 HG SER 5 HG SER 5 -7.375 3.879 -0.396
32 H THR 6 HN THR 6 -8.638 1.220 1.956
33 HA THR 6 HA THR 6 -6.305 1.923 3.331
34 HB THR 6 HB THR 6 -7.687 -0.529 4.250
35 HG1 THR 6 HG1 THR 6 -9.657 0.224 4.108
36 1HG2 THR 6 HG21 THR 6 -8.166 1.748 5.878
37 2HG2 THR 6 HG22 THR 6 -6.500 1.860 5.311
38 3HG2 THR 6 HG23 THR 6 -7.041 0.423 6.178
39 H PHE 7 HN PHE 7 -7.156 -1.451 2.448
40 HA PHE 7 HA PHE 7 -4.758 -2.721 3.064
41 1HB PHE 7 HB2 PHE 7 -7.101 -3.385 1.882
42 2HB PHE 7 HB1 PHE 7 -6.042 -3.420 0.471
43 HD1 PHE 7 HD1 PHE 7 -5.452 -4.295 4.070
44 HD2 PHE 7 HD2 PHE 7 -5.509 -5.646 -0.007
45 HE1 PHE 7 HE1 PHE 7 -4.563 -6.497 4.786
46 HE2 PHE 7 HE2 PHE 7 -4.621 -7.847 0.709
47 HZ PHE 7 HZ PHE 7 -4.148 -8.273 3.106
48 H PHE 8 HN PHE 8 -5.545 -1.567 -0.244
49 HA PHE 8 HA PHE 8 -3.046 -1.873 -1.441
50 1HB PHE 8 HB2 PHE 8 -5.449 -0.203 -1.760
51 2HB PHE 8 HB1 PHE 8 -4.000 0.502 -2.476
52 HD1 PHE 8 HD1 PHE 8 -6.510 -2.108 -2.731
53 HD2 PHE 8 HD2 PHE 8 -2.652 -0.839 -4.131
54 HE1 PHE 8 HE1 PHE 8 -6.687 -3.679 -4.641
55 HE2 PHE 8 HE2 PHE 8 -2.829 -2.411 -6.042
56 HZ PHE 8 HZ PHE 8 -4.846 -3.831 -6.297
57 H ARG 9 HN ARG 9 -4.196 1.059 0.279
58 HA ARG 9 HA ARG 9 -1.892 2.648 0.076
59 1HB ARG 9 HB2 ARG 9 -4.276 2.404 1.729
60 2HB ARG 9 HB1 ARG 9 -2.913 3.019 2.663
61 1HG ARG 9 HG2 ARG 9 -2.613 4.483 0.408
62 2HG ARG 9 HG1 ARG 9 -4.363 4.265 0.392
63 1HD ARG 9 HD2 ARG 9 -4.635 5.731 2.102
64 2HD ARG 9 HD1 ARG 9 -3.377 4.930 3.066
65 HE ARG 9 HE ARG 9 -1.912 6.619 2.327
66 1HH1 ARG 9 HH21 ARG 9 -4.151 8.317 1.296
67 2HH1 ARG 9 HH22 ARG 9 -3.714 8.524 -0.368
68 1HH2 ARG 9 HH11 ARG 9 -1.446 5.902 -0.376
69 2HH2 ARG 9 HH12 ARG 9 -2.183 7.157 -1.314
70 H LEU 10 HN LEU 10 -2.669 0.338 2.712
71 HA LEU 10 HA LEU 10 -0.238 0.596 4.154
72 1HB LEU 10 HB2 LEU 10 -2.597 -1.025 4.087
73 2HB LEU 10 HB1 LEU 10 -1.203 -2.094 4.250
74 HG LEU 10 HG LEU 10 -2.033 -1.355 6.461
75 1HD1 LEU 10 HD11 LEU 10 0.627 -1.160 5.459
76 2HD1 LEU 10 HD12 LEU 10 0.115 -1.497 7.113
77 3HD1 LEU 10 HD13 LEU 10 0.394 0.166 6.597
78 1HD2 LEU 10 HD21 LEU 10 -2.817 0.904 5.485
79 2HD2 LEU 10 HD22 LEU 10 -1.146 1.429 5.690
80 3HD2 LEU 10 HD23 LEU 10 -2.093 0.933 7.094
81 H PHE 11 HN PHE 11 -1.108 -1.657 1.517
82 HA PHE 11 HA PHE 11 1.293 -3.168 1.454
83 1HB PHE 11 HB2 PHE 11 -0.834 -3.652 0.255
84 2HB PHE 11 HB1 PHE 11 -0.517 -2.290 -0.820
85 HD1 PHE 11 HD1 PHE 11 0.495 -2.762 -2.860
86 HD2 PHE 11 HD2 PHE 11 1.281 -5.311 0.508
87 HE1 PHE 11 HE1 PHE 11 1.907 -4.217 -4.289
88 HE2 PHE 11 HE2 PHE 11 2.693 -6.765 -0.921
89 HZ PHE 11 HZ PHE 11 3.006 -6.218 -3.319
90 H ASN 12 HN ASN 12 0.425 -0.330 -0.569
91 HA ASN 12 HA ASN 12 2.936 -0.025 -1.855
92 1HB ASN 12 HB2 ASN 12 0.838 1.086 -2.506
93 2HB ASN 12 HB1 ASN 12 0.859 2.024 -1.012
94 1HD2 ASN 12 HD21 ASN 12 2.805 1.442 -3.982
95 2HD2 ASN 12 HD22 ASN 12 3.511 2.985 -4.002
96 H ARG 13 HN ARG 13 1.712 1.577 1.111
97 HA ARG 13 HA ARG 13 3.969 3.149 1.726
98 1HB ARG 13 HB2 ARG 13 1.655 3.014 2.811
99 2HB ARG 13 HB1 ARG 13 2.267 1.631 3.718
100 1HG ARG 13 HG2 ARG 13 3.461 2.948 5.115
101 2HG ARG 13 HG1 ARG 13 4.098 3.913 3.783
102 1HD ARG 13 HD2 ARG 13 1.584 4.836 3.733
103 2HD ARG 13 HD1 ARG 13 1.655 4.369 5.443
104 HE ARG 13 HE ARG 13 3.582 5.854 5.717
105 1HH1 ARG 13 HH11 ARG 13 1.414 7.523 4.330
106 2HH1 ARG 13 HH12 ARG 13 2.353 8.334 3.122
107 1HH2 ARG 13 HH21 ARG 13 5.075 6.209 3.429
108 2HH2 ARG 13 HH22 ARG 13 4.425 7.590 2.612
109 H SER 14 HN SER 14 3.253 -0.162 2.916
110 HA SER 14 HA SER 14 5.702 -0.575 4.299
111 1HB SER 14 HB2 SER 14 3.421 -2.108 3.272
112 2HB SER 14 HB1 SER 14 4.908 -3.050 3.327
113 HG SER 14 HG SER 14 5.110 -2.154 5.534
114 H PHE 15 HN PHE 15 4.815 -1.284 0.911
115 HA PHE 15 HA PHE 15 7.208 -2.585 0.112
116 1HB PHE 15 HB2 PHE 15 4.819 -1.497 -1.013
117 2HB PHE 15 HB1 PHE 15 6.176 -0.917 -1.978
118 HD1 PHE 15 HD1 PHE 15 7.513 -2.422 -3.304
119 HD2 PHE 15 HD2 PHE 15 4.447 -3.936 -0.704
120 HE1 PHE 15 HE1 PHE 15 7.709 -4.651 -4.372
121 HE2 PHE 15 HE2 PHE 15 4.643 -6.166 -1.772
122 HZ PHE 15 HZ PHE 15 6.274 -6.523 -3.606
123 H THR 16 HN THR 16 6.350 0.889 -0.173
124 HA THR 16 HA THR 16 8.878 1.755 -1.188
125 HB THR 16 HB THR 16 7.961 3.960 -0.057
126 HG1 THR 16 HG1 THR 16 6.454 3.289 1.297
127 1HG2 THR 16 HG21 THR 16 7.044 4.367 -2.089
128 2HG2 THR 16 HG22 THR 16 5.944 2.994 -1.966
129 3HG2 THR 16 HG23 THR 16 7.607 2.746 -2.499
130 H GLN 17 HN GLN 17 7.617 1.594 2.154
131 HA GLN 17 HA GLN 17 9.880 2.748 3.458
132 1HB GLN 17 HB2 GLN 17 7.781 2.478 4.591
133 2HB GLN 17 HB1 GLN 17 7.756 0.744 4.263
134 1HG GLN 17 HG2 GLN 17 10.198 1.442 5.633
135 2HG GLN 17 HG1 GLN 17 8.810 2.037 6.546
136 1HE2 GLN 17 HE21 GLN 17 7.424 0.482 7.548
137 2HE2 GLN 17 HE22 GLN 17 7.723 -1.188 7.502
138 H ALA 18 HN ALA 18 9.070 -0.692 2.851
139 HA ALA 18 HA ALA 18 11.444 -1.793 4.007
140 1HB ALA 18 HB1 ALA 18 10.732 -3.798 2.823
141 2HB ALA 18 HB2 ALA 18 9.762 -2.837 1.706
142 3HB ALA 18 HB3 ALA 18 9.294 -2.958 3.403
143 H LEU 19 HN LEU 19 10.670 -0.914 0.624
144 HA LEU 19 HA LEU 19 13.122 -1.745 -0.558
145 1HB LEU 19 HB2 LEU 19 10.771 -0.757 -1.417
146 2HB LEU 19 HB1 LEU 19 11.733 0.719 -1.512
147 HG LEU 19 HG LEU 19 13.318 -1.395 -2.573
148 1HD1 LEU 19 HD11 LEU 19 11.669 -2.812 -3.284
149 2HD1 LEU 19 HD12 LEU 19 11.523 -1.638 -4.592
150 3HD1 LEU 19 HD13 LEU 19 10.426 -1.563 -3.214
151 1HD2 LEU 19 HD21 LEU 19 13.489 0.057 -4.418
152 2HD2 LEU 19 HD22 LEU 19 13.106 1.155 -3.092
153 3HD2 LEU 19 HD23 LEU 19 11.841 0.655 -4.216
154 H GLY 20 HN GLY 20 12.186 1.389 0.883
155 1HA GLY 20 HA2 GLY 20 13.956 2.577 2.190
156 2HA GLY 20 HA1 GLY 20 15.094 2.101 0.928
157 H LYS 21 HN LYS 21 12.267 2.809 -0.656
158 HA LYS 21 HA LYS 21 11.754 4.613 -2.105
159 1HB LYS 21 HB2 LYS 21 10.959 5.229 0.224
160 2HB LYS 21 HB1 LYS 21 12.447 6.158 0.409
161 1HG LYS 21 HG2 LYS 21 11.713 7.226 -1.888
162 2HG LYS 21 HG1 LYS 21 10.111 6.670 -1.401
163 1HD LYS 21 HD2 LYS 21 11.432 7.920 0.840
164 2HD LYS 21 HD1 LYS 21 11.439 9.013 -0.544
165 1HE LYS 21 HE2 LYS 21 9.367 9.413 0.628
166 2HE LYS 21 HE1 LYS 21 8.942 8.459 -0.807
167 1HZ LYS 21 HZ1 LYS 21 9.438 6.463 0.714
168 2HZ LYS 21 HZ2 LYS 21 7.955 7.272 0.904
169 3HZ LYS 21 HZ3 LYS 21 9.231 7.561 1.990
170 1HN NH2 22 1HN NH2 22 13.717 4.434 -3.502
171 2HN NH2 22 2HN NH2 22 14.984 5.553 -3.352
Start of MODEL 25
1 1H SER 1 1H SER 1 -13.488 5.704 0.838
2 2H SER 1 2H SER 1 -12.435 4.478 0.313
3 3H SER 1 3H SER 1 -14.070 4.128 0.614
4 HA SER 1 HA SER 1 -14.780 4.982 -1.357
5 1HB SER 1 HB2 SER 1 -14.212 7.234 -0.830
6 2HB SER 1 HB1 SER 1 -12.487 6.882 -0.833
7 HG SER 1 HG SER 1 -14.142 6.595 -3.117
8 H GLY 2 HN GLY 2 -13.756 2.653 -1.596
9 1HA GLY 2 HA2 GLY 2 -12.596 2.307 -4.072
10 2HA GLY 2 HA1 GLY 2 -11.205 2.522 -3.008
11 H SER 3 HN SER 3 -11.831 0.088 -4.420
12 HA SER 3 HA SER 3 -13.184 -1.886 -2.915
13 1HB SER 3 HB2 SER 3 -12.316 -2.127 -5.217
14 2HB SER 3 HB1 SER 3 -10.667 -2.075 -4.604
15 HG SER 3 HG SER 3 -11.105 -4.196 -4.703
16 H LEU 4 HN LEU 4 -9.616 -1.568 -3.012
17 HA LEU 4 HA LEU 4 -9.569 -2.443 -0.141
18 1HB LEU 4 HB2 LEU 4 -7.468 -2.791 -2.302
19 2HB LEU 4 HB1 LEU 4 -7.486 -3.556 -0.713
20 HG LEU 4 HG LEU 4 -9.959 -4.021 -2.203
21 1HD1 LEU 4 HD11 LEU 4 -9.144 -4.683 -4.192
22 2HD1 LEU 4 HD12 LEU 4 -8.034 -5.792 -3.387
23 3HD1 LEU 4 HD13 LEU 4 -7.543 -4.129 -3.704
24 1HD2 LEU 4 HD21 LEU 4 -8.065 -5.389 -0.422
25 2HD2 LEU 4 HD22 LEU 4 -8.725 -6.441 -1.675
26 3HD2 LEU 4 HD23 LEU 4 -9.810 -5.593 -0.573
27 H SER 5 HN SER 5 -9.843 0.318 -0.791
28 HA SER 5 HA SER 5 -7.635 1.933 -1.150
29 1HB SER 5 HB2 SER 5 -8.913 3.127 0.974
30 2HB SER 5 HB1 SER 5 -9.468 3.208 -0.695
31 HG SER 5 HG SER 5 -10.513 1.879 1.453
32 H THR 6 HN THR 6 -8.651 1.251 2.204
33 HA THR 6 HA THR 6 -6.321 1.890 3.546
34 HB THR 6 HB THR 6 -7.178 -0.327 4.903
35 HG1 THR 6 HG1 THR 6 -9.377 -0.528 4.464
36 1HG2 THR 6 HG21 THR 6 -9.052 1.403 5.697
37 2HG2 THR 6 HG22 THR 6 -8.075 2.514 4.735
38 3HG2 THR 6 HG23 THR 6 -7.348 1.643 6.086
39 H PHE 7 HN PHE 7 -7.082 -1.445 2.448
40 HA PHE 7 HA PHE 7 -4.629 -2.670 3.024
41 1HB PHE 7 HB2 PHE 7 -6.937 -3.447 1.954
42 2HB PHE 7 HB1 PHE 7 -6.044 -3.254 0.446
43 HD1 PHE 7 HD1 PHE 7 -3.861 -4.493 0.134
44 HD2 PHE 7 HD2 PHE 7 -6.530 -5.291 3.405
45 HE1 PHE 7 HE1 PHE 7 -2.734 -6.668 0.523
46 HE2 PHE 7 HE2 PHE 7 -5.403 -7.466 3.793
47 HZ PHE 7 HZ PHE 7 -3.505 -8.154 2.353
48 H PHE 8 HN PHE 8 -5.522 -1.420 -0.223
49 HA PHE 8 HA PHE 8 -3.084 -1.613 -1.524
50 1HB PHE 8 HB2 PHE 8 -5.542 -0.152 -1.737
51 2HB PHE 8 HB1 PHE 8 -4.213 0.940 -2.131
52 HD1 PHE 8 HD1 PHE 8 -2.224 -0.572 -3.450
53 HD2 PHE 8 HD2 PHE 8 -6.484 -1.081 -3.653
54 HE1 PHE 8 HE1 PHE 8 -1.988 -1.657 -5.667
55 HE2 PHE 8 HE2 PHE 8 -6.248 -2.166 -5.870
56 HZ PHE 8 HZ PHE 8 -4.000 -2.455 -6.877
57 H ARG 9 HN ARG 9 -4.134 1.260 0.359
58 HA ARG 9 HA ARG 9 -1.765 2.765 0.204
59 1HB ARG 9 HB2 ARG 9 -3.999 3.401 1.175
60 2HB ARG 9 HB1 ARG 9 -3.599 2.442 2.600
61 1HG ARG 9 HG2 ARG 9 -2.521 4.230 3.440
62 2HG ARG 9 HG1 ARG 9 -1.360 4.099 2.117
63 1HD ARG 9 HD2 ARG 9 -2.178 6.288 1.831
64 2HD ARG 9 HD1 ARG 9 -3.237 5.367 0.745
65 HE ARG 9 HE ARG 9 -4.064 6.630 3.223
66 1HH1 ARG 9 HH11 ARG 9 -5.659 5.826 0.678
67 2HH1 ARG 9 HH12 ARG 9 -6.782 4.702 1.368
68 1HH2 ARG 9 HH21 ARG 9 -5.017 4.354 4.333
69 2HH2 ARG 9 HH22 ARG 9 -6.419 3.869 3.438
70 H LEU 10 HN LEU 10 -2.668 0.556 2.889
71 HA LEU 10 HA LEU 10 -0.269 0.630 4.340
72 1HB LEU 10 HB2 LEU 10 -2.637 -1.002 4.079
73 2HB LEU 10 HB1 LEU 10 -1.233 -2.035 4.353
74 HG LEU 10 HG LEU 10 -0.610 -0.678 6.314
75 1HD1 LEU 10 HD11 LEU 10 -2.018 1.324 5.169
76 2HD1 LEU 10 HD12 LEU 10 -1.656 1.279 6.895
77 3HD1 LEU 10 HD13 LEU 10 -3.227 0.732 6.309
78 1HD2 LEU 10 HD21 LEU 10 -2.536 -1.310 7.760
79 2HD2 LEU 10 HD22 LEU 10 -2.084 -2.610 6.657
80 3HD2 LEU 10 HD23 LEU 10 -3.498 -1.614 6.313
81 H PHE 11 HN PHE 11 -1.116 -1.633 1.690
82 HA PHE 11 HA PHE 11 1.352 -3.049 1.619
83 1HB PHE 11 HB2 PHE 11 -1.100 -2.883 0.207
84 2HB PHE 11 HB1 PHE 11 0.176 -2.703 -0.997
85 HD1 PHE 11 HD1 PHE 11 0.728 -4.715 -2.022
86 HD2 PHE 11 HD2 PHE 11 -0.230 -4.694 2.166
87 HE1 PHE 11 HE1 PHE 11 1.183 -7.150 -1.905
88 HE2 PHE 11 HE2 PHE 11 0.225 -7.129 2.283
89 HZ PHE 11 HZ PHE 11 0.932 -8.357 0.246
90 H ASN 12 HN ASN 12 0.301 -0.169 -0.232
91 HA ASN 12 HA ASN 12 2.640 0.183 -1.798
92 1HB ASN 12 HB2 ASN 12 0.568 1.384 -2.190
93 2HB ASN 12 HB1 ASN 12 0.652 2.134 -0.596
94 1HD2 ASN 12 HD21 ASN 12 0.523 4.152 -2.155
95 2HD2 ASN 12 HD22 ASN 12 2.010 4.781 -2.676
96 H ARG 13 HN ARG 13 1.815 1.754 1.323
97 HA ARG 13 HA ARG 13 4.276 3.115 1.705
98 1HB ARG 13 HB2 ARG 13 1.860 2.816 2.993
99 2HB ARG 13 HB1 ARG 13 2.968 2.014 4.108
100 1HG ARG 13 HG2 ARG 13 4.343 3.977 4.282
101 2HG ARG 13 HG1 ARG 13 3.489 4.765 2.957
102 1HD ARG 13 HD2 ARG 13 1.995 5.621 4.425
103 2HD ARG 13 HD1 ARG 13 1.570 3.983 4.959
104 HE ARG 13 HE ARG 13 3.926 5.477 6.054
105 1HH1 ARG 13 HH21 ARG 13 2.939 2.434 6.333
106 2HH1 ARG 13 HH22 ARG 13 2.445 2.483 7.993
107 1HH2 ARG 13 HH11 ARG 13 2.561 5.943 8.199
108 2HH2 ARG 13 HH12 ARG 13 2.232 4.470 9.049
109 H SER 14 HN SER 14 3.263 -0.112 2.892
110 HA SER 14 HA SER 14 5.646 -0.799 4.266
111 1HB SER 14 HB2 SER 14 4.791 -3.082 4.006
112 2HB SER 14 HB1 SER 14 3.446 -1.984 4.301
113 HG SER 14 HG SER 14 4.159 -3.394 2.016
114 H PHE 15 HN PHE 15 4.757 -1.315 0.841
115 HA PHE 15 HA PHE 15 7.145 -2.711 0.083
116 1HB PHE 15 HB2 PHE 15 4.778 -2.208 -1.050
117 2HB PHE 15 HB1 PHE 15 5.689 -0.898 -1.801
118 HD1 PHE 15 HD1 PHE 15 4.478 -3.443 -3.142
119 HD2 PHE 15 HD2 PHE 15 8.396 -2.460 -1.681
120 HE1 PHE 15 HE1 PHE 15 5.479 -5.053 -4.742
121 HE2 PHE 15 HE2 PHE 15 9.397 -4.069 -3.281
122 HZ PHE 15 HZ PHE 15 7.938 -5.365 -4.813
123 H THR 16 HN THR 16 6.248 0.740 -0.332
124 HA THR 16 HA THR 16 8.772 1.584 -1.387
125 HB THR 16 HB THR 16 6.552 2.984 0.132
126 HG1 THR 16 HG1 THR 16 6.291 1.980 -2.040
127 1HG2 THR 16 HG21 THR 16 7.684 4.934 0.041
128 2HG2 THR 16 HG22 THR 16 8.206 4.635 -1.617
129 3HG2 THR 16 HG23 THR 16 9.122 3.961 -0.269
130 H GLN 17 HN GLN 17 7.477 1.668 1.951
131 HA GLN 17 HA GLN 17 9.773 2.855 3.177
132 1HB GLN 17 HB2 GLN 17 7.472 1.116 4.052
133 2HB GLN 17 HB1 GLN 17 8.722 1.581 5.207
134 1HG GLN 17 HG2 GLN 17 7.971 3.908 3.718
135 2HG GLN 17 HG1 GLN 17 6.502 3.130 4.311
136 1HE2 GLN 17 HE21 GLN 17 7.407 2.043 6.752
137 2HE2 GLN 17 HE22 GLN 17 7.875 3.303 7.790
138 H ALA 18 HN ALA 18 8.855 -0.577 2.742
139 HA ALA 18 HA ALA 18 11.122 -1.705 4.079
140 1HB ALA 18 HB1 ALA 18 9.100 -2.958 3.577
141 2HB ALA 18 HB2 ALA 18 10.442 -3.721 2.723
142 3HB ALA 18 HB3 ALA 18 9.315 -2.686 1.847
143 H LEU 19 HN LEU 19 10.541 -1.024 0.610
144 HA LEU 19 HA LEU 19 12.989 -1.998 -0.425
145 1HB LEU 19 HB2 LEU 19 10.789 -0.997 -1.482
146 2HB LEU 19 HB1 LEU 19 11.693 0.519 -1.438
147 HG LEU 19 HG LEU 19 13.600 -0.823 -2.566
148 1HD1 LEU 19 HD11 LEU 19 11.892 -2.932 -2.129
149 2HD1 LEU 19 HD12 LEU 19 13.198 -2.931 -3.315
150 3HD1 LEU 19 HD13 LEU 19 11.552 -2.535 -3.814
151 1HD2 LEU 19 HD21 LEU 19 12.747 0.706 -4.044
152 2HD2 LEU 19 HD22 LEU 19 11.078 0.243 -3.714
153 3HD2 LEU 19 HD23 LEU 19 12.064 -0.734 -4.802
154 H GLY 20 HN GLY 20 12.232 1.089 1.147
155 1HA GLY 20 HA2 GLY 20 14.876 2.213 0.563
156 2HA GLY 20 HA1 GLY 20 13.635 2.954 1.577
157 H LYS 21 HN LYS 21 13.883 -0.180 2.635
158 HA LYS 21 HA LYS 21 16.308 -0.256 4.128
159 1HB LYS 21 HB2 LYS 21 14.266 1.616 5.015
160 2HB LYS 21 HB1 LYS 21 14.620 0.428 6.270
161 1HG LYS 21 HG2 LYS 21 17.039 1.397 4.942
162 2HG LYS 21 HG1 LYS 21 16.128 2.695 5.716
163 1HD LYS 21 HD2 LYS 21 16.954 2.039 7.702
164 2HD LYS 21 HD1 LYS 21 16.096 0.508 7.518
165 1HE LYS 21 HE2 LYS 21 18.093 -0.249 6.070
166 2HE LYS 21 HE1 LYS 21 18.948 1.153 6.743
167 1HZ LYS 21 HZ1 LYS 21 18.905 -1.147 8.004
168 2HZ LYS 21 HZ2 LYS 21 17.428 -0.539 8.583
169 3HZ LYS 21 HZ3 LYS 21 18.866 0.325 8.847
170 1HN NH2 22 1HN NH2 22 12.990 -0.679 5.455
171 2HN NH2 22 2HN NH2 22 13.071 -2.371 5.562
Start of MODEL 26
1 1H SER 1 1H SER 1 -18.320 -2.310 -2.570
2 2H SER 1 2H SER 1 -18.197 -0.647 -2.242
3 3H SER 1 3H SER 1 -19.649 -1.293 -2.844
4 HA SER 1 HA SER 1 -19.579 -0.781 -0.363
5 1HB SER 1 HB2 SER 1 -20.263 -3.508 -1.504
6 2HB SER 1 HB1 SER 1 -20.907 -2.864 0.004
7 HG SER 1 HG SER 1 -22.267 -2.518 -1.855
8 H GLY 2 HN GLY 2 -17.175 -0.741 0.194
9 1HA GLY 2 HA2 GLY 2 -16.504 -2.615 2.166
10 2HA GLY 2 HA1 GLY 2 -15.760 -3.207 0.679
11 H SER 3 HN SER 3 -13.629 -2.794 1.485
12 HA SER 3 HA SER 3 -12.823 0.060 1.243
13 1HB SER 3 HB2 SER 3 -13.318 -0.365 3.622
14 2HB SER 3 HB1 SER 3 -12.237 -1.755 3.607
15 HG SER 3 HG SER 3 -11.543 0.603 4.234
16 H LEU 4 HN LEU 4 -11.424 -0.231 -0.487
17 HA LEU 4 HA LEU 4 -9.476 -2.498 -0.364
18 1HB LEU 4 HB2 LEU 4 -11.039 -1.124 -2.412
19 2HB LEU 4 HB1 LEU 4 -9.334 -1.232 -2.853
20 HG LEU 4 HG LEU 4 -9.339 -3.631 -2.555
21 1HD1 LEU 4 HD11 LEU 4 -10.734 -4.567 -1.059
22 2HD1 LEU 4 HD12 LEU 4 -12.094 -4.203 -2.120
23 3HD1 LEU 4 HD13 LEU 4 -11.600 -3.040 -0.890
24 1HD2 LEU 4 HD21 LEU 4 -10.235 -3.861 -4.611
25 2HD2 LEU 4 HD22 LEU 4 -10.959 -2.262 -4.442
26 3HD2 LEU 4 HD23 LEU 4 -11.861 -3.695 -3.950
27 H SER 5 HN SER 5 -9.756 1.015 -0.542
28 HA SER 5 HA SER 5 -7.143 1.772 -1.248
29 1HB SER 5 HB2 SER 5 -9.488 2.912 -0.189
30 2HB SER 5 HB1 SER 5 -8.214 3.348 0.945
31 HG SER 5 HG SER 5 -7.008 3.901 -1.080
32 H THR 6 HN THR 6 -8.370 1.293 2.093
33 HA THR 6 HA THR 6 -6.075 1.642 3.586
34 HB THR 6 HB THR 6 -7.073 -0.097 5.088
35 HG1 THR 6 HG1 THR 6 -8.289 -1.562 4.238
36 1HG2 THR 6 HG21 THR 6 -8.536 1.497 5.690
37 2HG2 THR 6 HG22 THR 6 -9.551 1.139 4.292
38 3HG2 THR 6 HG23 THR 6 -8.235 2.304 4.151
39 H PHE 7 HN PHE 7 -7.031 -1.567 2.285
40 HA PHE 7 HA PHE 7 -4.619 -2.924 2.856
41 1HB PHE 7 HB2 PHE 7 -7.066 -3.410 1.627
42 2HB PHE 7 HB1 PHE 7 -5.901 -3.674 0.330
43 HD1 PHE 7 HD1 PHE 7 -3.713 -5.021 1.094
44 HD2 PHE 7 HD2 PHE 7 -7.540 -5.203 3.037
45 HE1 PHE 7 HE1 PHE 7 -3.108 -7.214 2.081
46 HE2 PHE 7 HE2 PHE 7 -6.935 -7.397 4.023
47 HZ PHE 7 HZ PHE 7 -4.719 -8.402 3.545
48 H PHE 8 HN PHE 8 -5.565 -1.215 -0.148
49 HA PHE 8 HA PHE 8 -3.172 -1.702 -1.614
50 1HB PHE 8 HB2 PHE 8 -5.490 0.142 -1.644
51 2HB PHE 8 HB1 PHE 8 -4.063 0.723 -2.502
52 HD1 PHE 8 HD1 PHE 8 -7.020 -0.814 -3.120
53 HD2 PHE 8 HD2 PHE 8 -2.825 -1.532 -3.696
54 HE1 PHE 8 HE1 PHE 8 -7.539 -2.327 -5.016
55 HE2 PHE 8 HE2 PHE 8 -3.344 -3.046 -5.590
56 HZ PHE 8 HZ PHE 8 -5.701 -3.443 -6.250
57 H ARG 9 HN ARG 9 -4.050 1.464 -0.190
58 HA ARG 9 HA ARG 9 -1.563 2.699 -0.266
59 1HB ARG 9 HB2 ARG 9 -2.456 4.128 1.449
60 2HB ARG 9 HB1 ARG 9 -3.838 3.558 0.512
61 1HG ARG 9 HG2 ARG 9 -4.297 1.827 2.177
62 2HG ARG 9 HG1 ARG 9 -2.871 2.306 3.099
63 1HD ARG 9 HD2 ARG 9 -5.178 4.188 2.495
64 2HD ARG 9 HD1 ARG 9 -5.011 3.280 4.011
65 HE ARG 9 HE ARG 9 -2.634 4.820 3.201
66 1HH1 ARG 9 HH21 ARG 9 -5.673 5.702 4.254
67 2HH1 ARG 9 HH22 ARG 9 -5.151 6.446 5.729
68 1HH2 ARG 9 HH11 ARG 9 -1.883 5.321 5.449
69 2HH2 ARG 9 HH12 ARG 9 -3.004 6.230 6.405
70 H LEU 10 HN LEU 10 -2.728 0.348 2.132
71 HA LEU 10 HA LEU 10 -0.549 0.571 3.979
72 1HB LEU 10 HB2 LEU 10 -2.805 -0.543 4.272
73 2HB LEU 10 HB1 LEU 10 -2.204 -1.873 3.279
74 HG LEU 10 HG LEU 10 -0.189 -1.451 5.173
75 1HD1 LEU 10 HD11 LEU 10 -2.516 -0.302 6.205
76 2HD1 LEU 10 HD12 LEU 10 -1.102 -0.801 7.132
77 3HD1 LEU 10 HD13 LEU 10 -2.464 -1.904 6.939
78 1HD2 LEU 10 HD21 LEU 10 -1.578 -3.542 4.143
79 2HD2 LEU 10 HD22 LEU 10 -2.263 -3.493 5.767
80 3HD2 LEU 10 HD23 LEU 10 -0.524 -3.687 5.550
81 H PHE 11 HN PHE 11 -1.121 -1.924 1.460
82 HA PHE 11 HA PHE 11 1.392 -3.216 1.653
83 1HB PHE 11 HB2 PHE 11 -0.736 -3.878 0.410
84 2HB PHE 11 HB1 PHE 11 -0.232 -2.770 -0.867
85 HD1 PHE 11 HD1 PHE 11 2.296 -3.062 -1.651
86 HD2 PHE 11 HD2 PHE 11 -0.047 -6.102 0.278
87 HE1 PHE 11 HE1 PHE 11 3.799 -4.806 -2.574
88 HE2 PHE 11 HE2 PHE 11 1.456 -7.846 -0.645
89 HZ PHE 11 HZ PHE 11 3.379 -7.198 -2.071
90 H ASN 12 HN ASN 12 0.389 -0.547 -0.518
91 HA ASN 12 HA ASN 12 2.846 -0.217 -1.899
92 1HB ASN 12 HB2 ASN 12 0.440 0.827 -2.134
93 2HB ASN 12 HB1 ASN 12 1.092 2.091 -1.090
94 1HD2 ASN 12 HD21 ASN 12 0.521 3.133 -3.462
95 2HD2 ASN 12 HD22 ASN 12 1.874 3.272 -4.477
96 H ARG 13 HN ARG 13 1.662 1.606 0.961
97 HA ARG 13 HA ARG 13 3.978 3.135 1.457
98 1HB ARG 13 HB2 ARG 13 1.888 1.895 3.270
99 2HB ARG 13 HB1 ARG 13 3.070 3.078 3.837
100 1HG ARG 13 HG2 ARG 13 1.773 3.949 1.377
101 2HG ARG 13 HG1 ARG 13 0.602 3.652 2.662
102 1HD ARG 13 HD2 ARG 13 2.390 4.992 4.125
103 2HD ARG 13 HD1 ARG 13 2.799 5.681 2.542
104 HE ARG 13 HE ARG 13 0.008 5.674 3.636
105 1HH1 ARG 13 HH21 ARG 13 2.686 7.539 2.781
106 2HH1 ARG 13 HH22 ARG 13 1.787 8.729 1.899
107 1HH2 ARG 13 HH11 ARG 13 -1.206 6.989 2.085
108 2HH2 ARG 13 HH12 ARG 13 -0.417 8.417 1.505
109 H SER 14 HN SER 14 3.123 -0.058 2.854
110 HA SER 14 HA SER 14 5.480 -0.467 4.370
111 1HB SER 14 HB2 SER 14 3.715 -2.425 2.865
112 2HB SER 14 HB1 SER 14 4.824 -2.861 4.162
113 HG SER 14 HG SER 14 2.412 -2.271 4.537
114 H PHE 15 HN PHE 15 4.792 -1.282 0.959
115 HA PHE 15 HA PHE 15 7.258 -2.604 0.388
116 1HB PHE 15 HB2 PHE 15 4.893 -1.976 -0.892
117 2HB PHE 15 HB1 PHE 15 6.065 -0.985 -1.763
118 HD1 PHE 15 HD1 PHE 15 5.467 -4.469 -0.540
119 HD2 PHE 15 HD2 PHE 15 7.484 -1.950 -3.375
120 HE1 PHE 15 HE1 PHE 15 6.265 -6.477 -1.756
121 HE2 PHE 15 HE2 PHE 15 8.281 -3.958 -4.592
122 HZ PHE 15 HZ PHE 15 7.672 -6.222 -3.783
123 H THR 16 HN THR 16 6.296 0.812 -0.132
124 HA THR 16 HA THR 16 8.785 1.732 -1.166
125 HB THR 16 HB THR 16 7.879 3.944 -0.483
126 HG1 THR 16 HG1 THR 16 6.238 2.260 1.056
127 1HG2 THR 16 HG21 THR 16 6.882 2.311 -2.358
128 2HG2 THR 16 HG22 THR 16 6.173 3.890 -2.023
129 3HG2 THR 16 HG23 THR 16 5.453 2.435 -1.331
130 H GLN 17 HN GLN 17 7.574 1.601 2.195
131 HA GLN 17 HA GLN 17 9.829 2.853 3.433
132 1HB GLN 17 HB2 GLN 17 7.848 0.765 4.402
133 2HB GLN 17 HB1 GLN 17 8.903 1.707 5.458
134 1HG GLN 17 HG2 GLN 17 6.963 2.975 3.511
135 2HG GLN 17 HG1 GLN 17 6.554 2.632 5.192
136 1HE2 GLN 17 HE21 GLN 17 6.472 5.288 4.564
137 2HE2 GLN 17 HE22 GLN 17 7.833 6.108 5.160
138 H ALA 18 HN ALA 18 9.049 -0.636 3.095
139 HA ALA 18 HA ALA 18 11.559 -1.565 4.148
140 1HB ALA 18 HB1 ALA 18 9.105 -2.601 3.399
141 2HB ALA 18 HB2 ALA 18 10.501 -3.562 3.888
142 3HB ALA 18 HB3 ALA 18 10.190 -3.266 2.178
143 H LEU 19 HN LEU 19 10.370 -1.289 0.774
144 HA LEU 19 HA LEU 19 12.668 -2.187 -0.581
145 1HB LEU 19 HB2 LEU 19 10.529 -1.711 -1.649
146 2HB LEU 19 HB1 LEU 19 10.669 -0.001 -1.242
147 HG LEU 19 HG LEU 19 12.972 -1.111 -2.722
148 1HD1 LEU 19 HD11 LEU 19 11.894 -1.889 -4.541
149 2HD1 LEU 19 HD12 LEU 19 10.876 -0.451 -4.613
150 3HD1 LEU 19 HD13 LEU 19 10.397 -1.820 -3.609
151 1HD2 LEU 19 HD21 LEU 19 12.527 1.045 -4.010
152 2HD2 LEU 19 HD22 LEU 19 12.875 1.249 -2.293
153 3HD2 LEU 19 HD23 LEU 19 11.213 1.351 -2.874
154 H GLY 20 HN GLY 20 12.152 0.794 1.165
155 1HA GLY 20 HA2 GLY 20 14.705 1.890 0.065
156 2HA GLY 20 HA1 GLY 20 13.453 2.862 0.845
157 H LYS 21 HN LYS 21 13.645 0.070 2.627
158 HA LYS 21 HA LYS 21 14.550 1.141 5.010
159 1HB LYS 21 HB2 LYS 21 13.736 -1.263 4.184
160 2HB LYS 21 HB1 LYS 21 15.466 -1.603 4.244
161 1HG LYS 21 HG2 LYS 21 15.507 -0.737 6.592
162 2HG LYS 21 HG1 LYS 21 13.754 -0.562 6.519
163 1HD LYS 21 HD2 LYS 21 13.988 -2.678 7.488
164 2HD LYS 21 HD1 LYS 21 13.800 -3.077 5.780
165 1HE LYS 21 HE2 LYS 21 15.797 -4.139 5.859
166 2HE LYS 21 HE1 LYS 21 16.573 -2.582 6.213
167 1HZ LYS 21 HZ1 LYS 21 15.257 -4.339 8.217
168 2HZ LYS 21 HZ2 LYS 21 16.021 -2.856 8.539
169 3HZ LYS 21 HZ3 LYS 21 16.934 -4.187 8.006
170 1HN NH2 22 1HN NH2 22 16.753 0.825 6.123
171 2HN NH2 22 2HN NH2 22 18.158 1.007 5.190
Start of MODEL 27
1 1H SER 1 1H SER 1 -19.565 0.836 -4.447
2 2H SER 1 2H SER 1 -19.098 0.807 -6.081
3 3H SER 1 3H SER 1 -19.685 2.242 -5.387
4 HA SER 1 HA SER 1 -17.101 1.808 -5.694
5 1HB SER 1 HB2 SER 1 -17.819 3.901 -4.972
6 2HB SER 1 HB1 SER 1 -18.818 3.227 -3.688
7 HG SER 1 HG SER 1 -17.147 3.223 -2.395
8 H GLY 2 HN GLY 2 -15.311 1.322 -4.164
9 1HA GLY 2 HA2 GLY 2 -16.073 -0.668 -2.067
10 2HA GLY 2 HA1 GLY 2 -14.756 -0.999 -3.193
11 H SER 3 HN SER 3 -14.037 -1.071 -0.606
12 HA SER 3 HA SER 3 -12.649 1.553 -0.159
13 1HB SER 3 HB2 SER 3 -13.614 -0.441 1.912
14 2HB SER 3 HB1 SER 3 -12.976 1.172 2.217
15 HG SER 3 HG SER 3 -15.470 0.361 1.334
16 H LEU 4 HN LEU 4 -11.253 -0.138 -1.709
17 HA LEU 4 HA LEU 4 -9.650 -2.016 -0.095
18 1HB LEU 4 HB2 LEU 4 -10.306 -1.487 -2.862
19 2HB LEU 4 HB1 LEU 4 -8.557 -1.617 -2.673
20 HG LEU 4 HG LEU 4 -9.641 -3.823 -3.112
21 1HD1 LEU 4 HD11 LEU 4 -8.758 -4.804 -0.769
22 2HD1 LEU 4 HD12 LEU 4 -8.079 -3.180 -0.657
23 3HD1 LEU 4 HD13 LEU 4 -7.658 -4.222 -2.018
24 1HD2 LEU 4 HD21 LEU 4 -11.324 -2.861 -0.908
25 2HD2 LEU 4 HD22 LEU 4 -10.739 -4.505 -0.660
26 3HD2 LEU 4 HD23 LEU 4 -11.657 -4.106 -2.111
27 H SER 5 HN SER 5 -9.564 1.311 -0.863
28 HA SER 5 HA SER 5 -6.915 2.012 -1.282
29 1HB SER 5 HB2 SER 5 -9.178 3.136 0.333
30 2HB SER 5 HB1 SER 5 -7.606 3.925 0.423
31 HG SER 5 HG SER 5 -7.772 4.511 -1.624
32 H THR 6 HN THR 6 -8.395 1.253 1.892
33 HA THR 6 HA THR 6 -6.197 1.660 3.578
34 HB THR 6 HB THR 6 -7.354 -0.511 4.683
35 HG1 THR 6 HG1 THR 6 -9.327 -0.868 3.846
36 1HG2 THR 6 HG21 THR 6 -8.345 2.315 4.389
37 2HG2 THR 6 HG22 THR 6 -7.591 1.547 5.785
38 3HG2 THR 6 HG23 THR 6 -9.251 1.145 5.348
39 H PHE 7 HN PHE 7 -7.096 -1.589 2.353
40 HA PHE 7 HA PHE 7 -4.679 -2.893 2.975
41 1HB PHE 7 HB2 PHE 7 -7.093 -3.495 1.815
42 2HB PHE 7 HB1 PHE 7 -5.992 -3.674 0.448
43 HD1 PHE 7 HD1 PHE 7 -7.487 -5.447 3.012
44 HD2 PHE 7 HD2 PHE 7 -3.621 -4.827 1.243
45 HE1 PHE 7 HE1 PHE 7 -6.728 -7.631 3.906
46 HE2 PHE 7 HE2 PHE 7 -2.863 -7.011 2.139
47 HZ PHE 7 HZ PHE 7 -4.415 -8.414 3.470
48 H PHE 8 HN PHE 8 -5.610 -1.535 -0.216
49 HA PHE 8 HA PHE 8 -3.195 -1.959 -1.588
50 1HB PHE 8 HB2 PHE 8 -5.596 -0.831 -2.110
51 2HB PHE 8 HB1 PHE 8 -4.616 0.630 -1.977
52 HD1 PHE 8 HD1 PHE 8 -4.167 1.391 -4.146
53 HD2 PHE 8 HD2 PHE 8 -3.795 -2.795 -3.256
54 HE1 PHE 8 HE1 PHE 8 -3.255 0.988 -6.417
55 HE2 PHE 8 HE2 PHE 8 -2.883 -3.197 -5.527
56 HZ PHE 8 HZ PHE 8 -2.613 -1.305 -7.108
57 H ARG 9 HN ARG 9 -4.137 1.069 0.101
58 HA ARG 9 HA ARG 9 -1.680 2.433 -0.139
59 1HB ARG 9 HB2 ARG 9 -3.755 3.446 0.647
60 2HB ARG 9 HB1 ARG 9 -3.763 2.401 2.068
61 1HG ARG 9 HG2 ARG 9 -2.498 3.894 3.174
62 2HG ARG 9 HG1 ARG 9 -1.227 3.710 1.964
63 1HD ARG 9 HD2 ARG 9 -3.194 5.301 0.720
64 2HD ARG 9 HD1 ARG 9 -3.022 5.950 2.364
65 HE ARG 9 HE ARG 9 -0.574 6.105 1.950
66 1HH1 ARG 9 HH21 ARG 9 -1.748 7.969 -0.020
67 2HH1 ARG 9 HH22 ARG 9 -1.029 7.458 -1.512
68 1HH2 ARG 9 HH11 ARG 9 -0.031 4.374 -0.279
69 2HH2 ARG 9 HH12 ARG 9 -0.057 5.421 -1.658
70 H LEU 10 HN LEU 10 -2.766 0.242 2.478
71 HA LEU 10 HA LEU 10 -0.505 0.422 4.162
72 1HB LEU 10 HB2 LEU 10 -2.644 -0.708 4.675
73 2HB LEU 10 HB1 LEU 10 -2.265 -1.960 3.491
74 HG LEU 10 HG LEU 10 -0.359 -2.696 4.770
75 1HD1 LEU 10 HD11 LEU 10 -0.234 -1.383 7.138
76 2HD1 LEU 10 HD12 LEU 10 -0.750 -0.064 6.087
77 3HD1 LEU 10 HD13 LEU 10 0.742 -0.937 5.739
78 1HD2 LEU 10 HD21 LEU 10 -2.861 -3.130 5.559
79 2HD2 LEU 10 HD22 LEU 10 -2.339 -2.197 6.963
80 3HD2 LEU 10 HD23 LEU 10 -1.500 -3.687 6.532
81 H PHE 11 HN PHE 11 -1.116 -2.034 1.614
82 HA PHE 11 HA PHE 11 1.408 -3.322 1.740
83 1HB PHE 11 HB2 PHE 11 -0.921 -3.629 0.389
84 2HB PHE 11 HB1 PHE 11 0.086 -2.973 -0.902
85 HD1 PHE 11 HD1 PHE 11 2.160 -4.140 -1.602
86 HD2 PHE 11 HD2 PHE 11 -0.508 -5.821 1.315
87 HE1 PHE 11 HE1 PHE 11 3.248 -6.351 -1.881
88 HE2 PHE 11 HE2 PHE 11 0.580 -8.032 1.035
89 HZ PHE 11 HZ PHE 11 2.458 -8.297 -0.563
90 H ASN 12 HN ASN 12 0.351 -0.741 -0.522
91 HA ASN 12 HA ASN 12 2.786 -0.338 -1.877
92 1HB ASN 12 HB2 ASN 12 0.587 0.665 -2.426
93 2HB ASN 12 HB1 ASN 12 0.703 1.688 -0.994
94 1HD2 ASN 12 HD21 ASN 12 0.497 3.316 -3.012
95 2HD2 ASN 12 HD22 ASN 12 1.979 3.879 -3.618
96 H ARG 13 HN ARG 13 1.617 1.440 1.016
97 HA ARG 13 HA ARG 13 3.918 3.010 1.479
98 1HB ARG 13 HB2 ARG 13 1.906 3.431 2.683
99 2HB ARG 13 HB1 ARG 13 1.811 1.765 3.254
100 1HG ARG 13 HG2 ARG 13 3.348 2.104 4.925
101 2HG ARG 13 HG1 ARG 13 4.262 3.285 3.985
102 1HD ARG 13 HD2 ARG 13 3.266 4.871 5.277
103 2HD ARG 13 HD1 ARG 13 1.774 4.510 4.385
104 HE ARG 13 HE ARG 13 2.558 3.036 6.873
105 1HH1 ARG 13 HH21 ARG 13 0.237 3.240 4.475
106 2HH1 ARG 13 HH22 ARG 13 -1.119 3.379 5.544
107 1HH2 ARG 13 HH11 ARG 13 0.829 3.753 8.390
108 2HH2 ARG 13 HH12 ARG 13 -0.784 3.670 7.761
109 H SER 14 HN SER 14 3.144 -0.240 2.772
110 HA SER 14 HA SER 14 5.477 -0.629 4.329
111 1HB SER 14 HB2 SER 14 3.468 -2.060 4.334
112 2HB SER 14 HB1 SER 14 3.830 -2.587 2.694
113 HG SER 14 HG SER 14 5.378 -3.837 3.433
114 H PHE 15 HN PHE 15 4.888 -1.606 0.927
115 HA PHE 15 HA PHE 15 7.473 -2.663 0.398
116 1HB PHE 15 HB2 PHE 15 5.670 -3.069 -1.107
117 2HB PHE 15 HB1 PHE 15 5.320 -1.348 -1.271
118 HD1 PHE 15 HD1 PHE 15 8.018 -3.868 -1.896
119 HD2 PHE 15 HD2 PHE 15 6.261 -0.117 -3.033
120 HE1 PHE 15 HE1 PHE 15 9.555 -3.737 -3.838
121 HE2 PHE 15 HE2 PHE 15 7.798 0.014 -4.974
122 HZ PHE 15 HZ PHE 15 9.445 -1.795 -5.377
123 H THR 16 HN THR 16 6.214 0.658 -0.012
124 HA THR 16 HA THR 16 8.560 1.803 -1.170
125 HB THR 16 HB THR 16 6.346 2.917 0.581
126 HG1 THR 16 HG1 THR 16 6.800 2.911 -2.219
127 1HG2 THR 16 HG21 THR 16 7.070 5.084 0.116
128 2HG2 THR 16 HG22 THR 16 8.018 4.574 -1.282
129 3HG2 THR 16 HG23 THR 16 8.602 4.242 0.349
130 H GLN 17 HN GLN 17 7.494 1.691 2.252
131 HA GLN 17 HA GLN 17 9.761 3.018 3.365
132 1HB GLN 17 HB2 GLN 17 7.369 1.788 4.190
133 2HB GLN 17 HB1 GLN 17 8.648 0.931 5.052
134 1HG GLN 17 HG2 GLN 17 9.577 3.112 5.798
135 2HG GLN 17 HG1 GLN 17 8.238 3.935 4.997
136 1HE2 GLN 17 HE21 GLN 17 8.511 1.069 7.190
137 2HE2 GLN 17 HE22 GLN 17 7.272 1.572 8.234
138 H ALA 18 HN ALA 18 9.114 -0.476 2.911
139 HA ALA 18 HA ALA 18 11.600 -1.396 4.008
140 1HB ALA 18 HB1 ALA 18 9.320 -2.407 2.415
141 2HB ALA 18 HB2 ALA 18 10.118 -3.127 3.813
142 3HB ALA 18 HB3 ALA 18 10.823 -3.305 2.207
143 H LEU 19 HN LEU 19 10.582 -0.859 0.612
144 HA LEU 19 HA LEU 19 12.971 -1.595 -0.688
145 1HB LEU 19 HB2 LEU 19 10.918 -1.098 -1.867
146 2HB LEU 19 HB1 LEU 19 10.910 0.557 -1.254
147 HG LEU 19 HG LEU 19 13.325 -0.333 -2.764
148 1HD1 LEU 19 HD11 LEU 19 10.575 0.026 -3.925
149 2HD1 LEU 19 HD12 LEU 19 11.814 -1.157 -4.346
150 3HD1 LEU 19 HD13 LEU 19 11.988 0.522 -4.857
151 1HD2 LEU 19 HD21 LEU 19 11.715 2.193 -2.376
152 2HD2 LEU 19 HD22 LEU 19 12.929 2.070 -3.650
153 3HD2 LEU 19 HD23 LEU 19 13.403 1.893 -1.960
154 H GLY 20 HN GLY 20 12.155 1.408 1.004
155 1HA GLY 20 HA2 GLY 20 14.536 2.823 0.100
156 2HA GLY 20 HA1 GLY 20 13.445 3.350 1.384
157 H LYS 21 HN LYS 21 14.209 0.206 2.114
158 HA LYS 21 HA LYS 21 16.756 0.885 3.513
159 1HB LYS 21 HB2 LYS 21 14.082 0.138 4.690
160 2HB LYS 21 HB1 LYS 21 15.573 -0.229 5.560
161 1HG LYS 21 HG2 LYS 21 16.216 2.216 5.245
162 2HG LYS 21 HG1 LYS 21 14.562 2.489 4.695
163 1HD LYS 21 HD2 LYS 21 14.394 2.954 6.981
164 2HD LYS 21 HD1 LYS 21 13.901 1.261 6.913
165 1HE LYS 21 HE2 LYS 21 15.583 0.748 8.338
166 2HE LYS 21 HE1 LYS 21 16.752 1.315 7.128
167 1HZ LYS 21 HZ1 LYS 21 16.613 2.535 9.388
168 2HZ LYS 21 HZ2 LYS 21 15.222 3.256 8.732
169 3HZ LYS 21 HZ3 LYS 21 16.725 3.451 7.965
170 1HN NH2 22 1HN NH2 22 18.008 -1.058 4.032
171 2HN NH2 22 2HN NH2 22 17.595 -2.583 3.410
Start of MODEL 28
1 1H SER 1 1H SER 1 -16.713 2.379 -9.488
2 2H SER 1 2H SER 1 -15.225 1.558 -9.528
3 3H SER 1 3H SER 1 -15.265 3.254 -9.618
4 HA SER 1 HA SER 1 -15.614 3.524 -7.390
5 1HB SER 1 HB2 SER 1 -16.861 1.725 -6.133
6 2HB SER 1 HB1 SER 1 -17.762 2.398 -7.489
7 HG SER 1 HG SER 1 -17.757 0.489 -8.349
8 H GLY 2 HN GLY 2 -15.325 0.008 -7.221
9 1HA GLY 2 HA2 GLY 2 -13.296 -1.282 -7.017
10 2HA GLY 2 HA1 GLY 2 -12.394 0.220 -6.808
11 H SER 3 HN SER 3 -11.420 -0.734 -4.880
12 HA SER 3 HA SER 3 -12.590 0.077 -2.430
13 1HB SER 3 HB2 SER 3 -12.973 -2.555 -1.819
14 2HB SER 3 HB1 SER 3 -14.257 -1.489 -2.382
15 HG SER 3 HG SER 3 -14.377 -2.962 -3.901
16 H LEU 4 HN LEU 4 -11.621 -1.842 -0.652
17 HA LEU 4 HA LEU 4 -9.616 -2.657 0.302
18 1HB LEU 4 HB2 LEU 4 -9.608 -3.216 -2.538
19 2HB LEU 4 HB1 LEU 4 -7.964 -2.915 -1.976
20 HG LEU 4 HG LEU 4 -8.678 -4.495 0.013
21 1HD1 LEU 4 HD11 LEU 4 -10.825 -4.803 -2.003
22 2HD1 LEU 4 HD12 LEU 4 -10.852 -5.130 -0.271
23 3HD1 LEU 4 HD13 LEU 4 -10.154 -6.310 -1.380
24 1HD2 LEU 4 HD21 LEU 4 -6.891 -5.233 -1.305
25 2HD2 LEU 4 HD22 LEU 4 -7.843 -5.200 -2.789
26 3HD2 LEU 4 HD23 LEU 4 -8.096 -6.485 -1.608
27 H SER 5 HN SER 5 -10.048 0.306 -0.720
28 HA SER 5 HA SER 5 -7.687 1.579 -1.438
29 1HB SER 5 HB2 SER 5 -10.169 2.291 -0.540
30 2HB SER 5 HB1 SER 5 -9.168 2.803 0.816
31 HG SER 5 HG SER 5 -8.372 4.339 -0.382
32 H THR 6 HN THR 6 -8.681 1.164 1.986
33 HA THR 6 HA THR 6 -6.334 1.937 3.260
34 HB THR 6 HB THR 6 -7.145 -0.129 4.813
35 HG1 THR 6 HG1 THR 6 -8.557 -1.016 3.382
36 1HG2 THR 6 HG21 THR 6 -9.030 1.503 5.545
37 2HG2 THR 6 HG22 THR 6 -8.379 2.570 4.300
38 3HG2 THR 6 HG23 THR 6 -7.360 2.059 5.646
39 H PHE 7 HN PHE 7 -7.103 -1.424 2.255
40 HA PHE 7 HA PHE 7 -4.659 -2.642 2.934
41 1HB PHE 7 HB2 PHE 7 -6.988 -3.410 1.827
42 2HB PHE 7 HB1 PHE 7 -5.997 -3.378 0.369
43 HD1 PHE 7 HD1 PHE 7 -7.226 -5.656 2.460
44 HD2 PHE 7 HD2 PHE 7 -3.361 -4.186 1.296
45 HE1 PHE 7 HE1 PHE 7 -6.208 -7.824 3.103
46 HE2 PHE 7 HE2 PHE 7 -2.343 -6.355 1.940
47 HZ PHE 7 HZ PHE 7 -3.766 -8.173 2.843
48 H PHE 8 HN PHE 8 -5.554 -1.215 -0.236
49 HA PHE 8 HA PHE 8 -3.105 -1.592 -1.580
50 1HB PHE 8 HB2 PHE 8 -5.237 -0.782 -2.554
51 2HB PHE 8 HB1 PHE 8 -5.041 0.746 -1.696
52 HD1 PHE 8 HD1 PHE 8 -3.725 2.487 -2.601
53 HD2 PHE 8 HD2 PHE 8 -3.405 -1.485 -4.204
54 HE1 PHE 8 HE1 PHE 8 -2.307 3.346 -4.447
55 HE2 PHE 8 HE2 PHE 8 -1.988 -0.626 -6.049
56 HZ PHE 8 HZ PHE 8 -1.438 1.788 -6.171
57 H ARG 9 HN ARG 9 -4.132 1.326 0.244
58 HA ARG 9 HA ARG 9 -1.740 2.803 0.043
59 1HB ARG 9 HB2 ARG 9 -3.998 3.469 0.982
60 2HB ARG 9 HB1 ARG 9 -3.566 2.600 2.456
61 1HG ARG 9 HG2 ARG 9 -1.991 4.155 3.081
62 2HG ARG 9 HG1 ARG 9 -1.583 4.566 1.413
63 1HD ARG 9 HD2 ARG 9 -4.353 5.261 2.083
64 2HD ARG 9 HD1 ARG 9 -3.164 6.115 3.087
65 HE ARG 9 HE ARG 9 -2.977 6.053 0.097
66 1HH1 ARG 9 HH11 ARG 9 -4.095 8.132 2.356
67 2HH1 ARG 9 HH12 ARG 9 -2.944 9.397 2.080
68 1HH2 ARG 9 HH21 ARG 9 -0.888 7.451 0.078
69 2HH2 ARG 9 HH22 ARG 9 -1.128 9.011 0.790
70 H LEU 10 HN LEU 10 -2.692 0.535 2.656
71 HA LEU 10 HA LEU 10 -0.336 0.675 4.207
72 1HB LEU 10 HB2 LEU 10 -2.714 -0.673 4.241
73 2HB LEU 10 HB1 LEU 10 -1.595 -1.984 3.866
74 HG LEU 10 HG LEU 10 -0.580 -0.213 5.961
75 1HD1 LEU 10 HD11 LEU 10 -3.046 -0.075 6.404
76 2HD1 LEU 10 HD12 LEU 10 -2.149 -0.869 7.698
77 3HD1 LEU 10 HD13 LEU 10 -3.076 -1.832 6.547
78 1HD2 LEU 10 HD21 LEU 10 -0.234 -2.412 7.073
79 2HD2 LEU 10 HD22 LEU 10 0.379 -2.409 5.419
80 3HD2 LEU 10 HD23 LEU 10 -1.159 -3.189 5.787
81 H PHE 11 HN PHE 11 -1.092 -1.538 1.492
82 HA PHE 11 HA PHE 11 1.354 -2.992 1.501
83 1HB PHE 11 HB2 PHE 11 -0.539 -3.757 0.251
84 2HB PHE 11 HB1 PHE 11 -0.660 -2.233 -0.628
85 HD1 PHE 11 HD1 PHE 11 0.383 -2.002 -2.714
86 HD2 PHE 11 HD2 PHE 11 1.695 -5.084 -0.025
87 HE1 PHE 11 HE1 PHE 11 1.893 -2.892 -4.469
88 HE2 PHE 11 HE2 PHE 11 3.206 -5.973 -1.779
89 HZ PHE 11 HZ PHE 11 3.304 -4.876 -4.002
90 H ASN 12 HN ASN 12 0.428 -0.119 -0.438
91 HA ASN 12 HA ASN 12 2.884 0.241 -1.804
92 1HB ASN 12 HB2 ASN 12 0.911 1.443 -2.438
93 2HB ASN 12 HB1 ASN 12 0.726 2.122 -0.820
94 1HD2 ASN 12 HD21 ASN 12 3.551 1.930 -3.067
95 2HD2 ASN 12 HD22 ASN 12 3.889 3.594 -3.013
96 H ARG 13 HN ARG 13 1.813 1.604 1.329
97 HA ARG 13 HA ARG 13 4.179 3.115 1.872
98 1HB ARG 13 HB2 ARG 13 1.735 2.849 2.965
99 2HB ARG 13 HB1 ARG 13 2.641 1.824 4.079
100 1HG ARG 13 HG2 ARG 13 3.623 3.604 5.058
101 2HG ARG 13 HG1 ARG 13 4.058 4.306 3.500
102 1HD ARG 13 HD2 ARG 13 2.179 5.633 3.425
103 2HD ARG 13 HD1 ARG 13 1.172 4.423 4.246
104 HE ARG 13 HE ARG 13 1.882 5.304 6.333
105 1HH1 ARG 13 HH21 ARG 13 2.111 7.936 4.873
106 2HH1 ARG 13 HH22 ARG 13 3.710 8.442 5.310
107 1HH2 ARG 13 HH11 ARG 13 4.689 5.302 6.408
108 2HH2 ARG 13 HH12 ARG 13 5.168 6.950 6.180
109 H SER 14 HN SER 14 3.209 -0.110 3.118
110 HA SER 14 HA SER 14 5.559 -0.743 4.531
111 1HB SER 14 HB2 SER 14 3.263 -2.100 3.315
112 2HB SER 14 HB1 SER 14 4.695 -3.124 3.388
113 HG SER 14 HG SER 14 3.899 -1.575 5.605
114 H PHE 15 HN PHE 15 4.814 -1.411 1.090
115 HA PHE 15 HA PHE 15 7.328 -2.643 0.465
116 1HB PHE 15 HB2 PHE 15 4.878 -2.011 -0.766
117 2HB PHE 15 HB1 PHE 15 6.101 -1.179 -1.726
118 HD1 PHE 15 HD1 PHE 15 8.060 -2.481 -2.641
119 HD2 PHE 15 HD2 PHE 15 4.666 -4.386 -0.821
120 HE1 PHE 15 HE1 PHE 15 8.709 -4.635 -3.685
121 HE2 PHE 15 HE2 PHE 15 5.316 -6.540 -1.865
122 HZ PHE 15 HZ PHE 15 7.336 -6.665 -3.297
123 H THR 16 HN THR 16 6.170 0.711 -0.065
124 HA THR 16 HA THR 16 8.489 1.802 -1.228
125 HB THR 16 HB THR 16 7.594 3.919 -0.016
126 HG1 THR 16 HG1 THR 16 6.011 3.633 1.333
127 1HG2 THR 16 HG21 THR 16 6.677 2.420 -2.228
128 2HG2 THR 16 HG22 THR 16 6.415 4.136 -1.916
129 3HG2 THR 16 HG23 THR 16 5.236 2.948 -1.359
130 H GLN 17 HN GLN 17 7.695 1.444 2.239
131 HA GLN 17 HA GLN 17 10.120 2.681 3.204
132 1HB GLN 17 HB2 GLN 17 8.080 0.771 4.377
133 2HB GLN 17 HB1 GLN 17 9.373 1.501 5.329
134 1HG GLN 17 HG2 GLN 17 8.545 3.716 4.914
135 2HG GLN 17 HG1 GLN 17 7.413 3.129 3.695
136 1HE2 GLN 17 HE21 GLN 17 5.321 2.737 4.440
137 2HE2 GLN 17 HE22 GLN 17 4.898 2.491 6.065
138 H ALA 18 HN ALA 18 9.128 -0.765 3.031
139 HA ALA 18 HA ALA 18 11.556 -1.925 3.890
140 1HB ALA 18 HB1 ALA 18 9.998 -3.564 3.657
141 2HB ALA 18 HB2 ALA 18 10.521 -3.645 1.975
142 3HB ALA 18 HB3 ALA 18 9.124 -2.663 2.418
143 H LEU 19 HN LEU 19 10.535 -1.044 0.576
144 HA LEU 19 HA LEU 19 12.714 -2.010 -0.898
145 1HB LEU 19 HB2 LEU 19 10.483 -0.516 -1.351
146 2HB LEU 19 HB1 LEU 19 11.734 0.712 -1.553
147 HG LEU 19 HG LEU 19 11.477 -1.913 -3.039
148 1HD1 LEU 19 HD11 LEU 19 11.111 0.985 -3.661
149 2HD1 LEU 19 HD12 LEU 19 10.211 -0.412 -4.252
150 3HD1 LEU 19 HD13 LEU 19 11.798 -0.039 -4.922
151 1HD2 LEU 19 HD21 LEU 19 13.595 -0.615 -4.180
152 2HD2 LEU 19 HD22 LEU 19 13.758 -1.893 -2.975
153 3HD2 LEU 19 HD23 LEU 19 13.824 -0.201 -2.480
154 H GLY 20 HN GLY 20 12.428 1.307 0.449
155 1HA GLY 20 HA2 GLY 20 14.311 2.281 1.722
156 2HA GLY 20 HA1 GLY 20 15.405 1.329 0.715
157 H LYS 21 HN LYS 21 13.030 2.403 -1.336
158 HA LYS 21 HA LYS 21 14.736 4.214 -2.744
159 1HB LYS 21 HB2 LYS 21 11.722 3.837 -2.727
160 2HB LYS 21 HB1 LYS 21 12.619 4.693 -3.982
161 1HG LYS 21 HG2 LYS 21 12.809 1.761 -3.253
162 2HG LYS 21 HG1 LYS 21 12.295 2.458 -4.790
163 1HD LYS 21 HD2 LYS 21 14.704 3.570 -4.707
164 2HD LYS 21 HD1 LYS 21 15.053 2.196 -3.656
165 1HE LYS 21 HE2 LYS 21 15.560 1.389 -5.835
166 2HE LYS 21 HE1 LYS 21 13.924 0.770 -5.534
167 1HZ LYS 21 HZ1 LYS 21 14.727 3.147 -7.102
168 2HZ LYS 21 HZ2 LYS 21 13.149 2.980 -6.492
169 3HZ LYS 21 HZ3 LYS 21 13.763 1.841 -7.592
170 1HN NH2 22 1HN NH2 22 13.710 6.603 -3.226
171 2HN NH2 22 2HN NH2 22 13.380 7.510 -1.830
Start of MODEL 29
1 1H SER 1 1H SER 1 -18.766 0.899 -7.679
2 2H SER 1 2H SER 1 -18.283 -0.283 -6.557
3 3H SER 1 3H SER 1 -18.017 -0.525 -8.217
4 HA SER 1 HA SER 1 -16.338 1.113 -8.313
5 1HB SER 1 HB2 SER 1 -16.070 2.701 -6.487
6 2HB SER 1 HB1 SER 1 -17.771 2.661 -6.940
7 HG SER 1 HG SER 1 -16.483 1.706 -4.657
8 H GLY 2 HN GLY 2 -14.758 1.434 -5.806
9 1HA GLY 2 HA2 GLY 2 -14.096 -1.433 -5.271
10 2HA GLY 2 HA1 GLY 2 -12.832 -0.248 -5.603
11 H SER 3 HN SER 3 -12.585 -1.532 -3.246
12 HA SER 3 HA SER 3 -12.968 0.637 -1.293
13 1HB SER 3 HB2 SER 3 -15.133 -0.654 -1.409
14 2HB SER 3 HB1 SER 3 -14.249 -2.083 -0.881
15 HG SER 3 HG SER 3 -13.579 -0.739 0.952
16 H LEU 4 HN LEU 4 -10.551 -0.287 -2.147
17 HA LEU 4 HA LEU 4 -9.615 -2.030 0.111
18 1HB LEU 4 HB2 LEU 4 -9.435 -2.275 -2.784
19 2HB LEU 4 HB1 LEU 4 -7.834 -2.284 -2.043
20 HG LEU 4 HG LEU 4 -9.058 -3.932 -0.328
21 1HD1 LEU 4 HD11 LEU 4 -10.886 -3.669 -2.585
22 2HD1 LEU 4 HD12 LEU 4 -11.140 -4.456 -1.027
23 3HD1 LEU 4 HD13 LEU 4 -10.377 -5.341 -2.347
24 1HD2 LEU 4 HD21 LEU 4 -7.052 -4.477 -1.631
25 2HD2 LEU 4 HD22 LEU 4 -8.031 -4.700 -3.080
26 3HD2 LEU 4 HD23 LEU 4 -8.202 -5.811 -1.721
27 H SER 5 HN SER 5 -9.675 1.047 -0.637
28 HA SER 5 HA SER 5 -7.172 2.138 -1.093
29 1HB SER 5 HB2 SER 5 -8.013 4.035 0.089
30 2HB SER 5 HB1 SER 5 -9.441 3.212 -0.533
31 HG SER 5 HG SER 5 -8.517 3.505 2.064
32 H THR 6 HN THR 6 -8.384 1.193 2.152
33 HA THR 6 HA THR 6 -6.027 1.671 3.623
34 HB THR 6 HB THR 6 -8.196 -0.435 3.878
35 HG1 THR 6 HG1 THR 6 -7.822 2.211 4.711
36 1HG2 THR 6 HG21 THR 6 -7.494 -0.477 6.295
37 2HG2 THR 6 HG22 THR 6 -6.068 0.454 5.840
38 3HG2 THR 6 HG23 THR 6 -6.305 -1.169 5.192
39 H PHE 7 HN PHE 7 -7.090 -1.539 2.412
40 HA PHE 7 HA PHE 7 -4.735 -2.976 2.938
41 1HB PHE 7 HB2 PHE 7 -7.149 -3.192 1.356
42 2HB PHE 7 HB1 PHE 7 -5.787 -3.886 0.475
43 HD1 PHE 7 HD1 PHE 7 -5.371 -6.141 0.846
44 HD2 PHE 7 HD2 PHE 7 -7.046 -3.776 4.017
45 HE1 PHE 7 HE1 PHE 7 -5.449 -8.148 2.302
46 HE2 PHE 7 HE2 PHE 7 -7.123 -5.782 5.472
47 HZ PHE 7 HZ PHE 7 -6.325 -7.968 4.614
48 H PHE 8 HN PHE 8 -5.590 -1.756 -0.325
49 HA PHE 8 HA PHE 8 -3.108 -2.084 -1.565
50 1HB PHE 8 HB2 PHE 8 -5.546 -1.044 -2.193
51 2HB PHE 8 HB1 PHE 8 -4.576 0.428 -2.147
52 HD1 PHE 8 HD1 PHE 8 -3.814 1.071 -4.248
53 HD2 PHE 8 HD2 PHE 8 -3.991 -3.109 -3.276
54 HE1 PHE 8 HE1 PHE 8 -2.861 0.516 -6.468
55 HE2 PHE 8 HE2 PHE 8 -3.037 -3.665 -5.497
56 HZ PHE 8 HZ PHE 8 -2.473 -1.853 -7.093
57 H ARG 9 HN ARG 9 -4.245 0.973 -0.060
58 HA ARG 9 HA ARG 9 -1.895 2.477 -0.258
59 1HB ARG 9 HB2 ARG 9 -4.091 3.263 0.562
60 2HB ARG 9 HB1 ARG 9 -3.883 2.312 2.033
61 1HG ARG 9 HG2 ARG 9 -2.732 4.001 2.966
62 2HG ARG 9 HG1 ARG 9 -1.533 3.896 1.676
63 1HD ARG 9 HD2 ARG 9 -2.242 6.016 1.168
64 2HD ARG 9 HD1 ARG 9 -3.613 5.186 0.405
65 HE ARG 9 HE ARG 9 -4.964 5.840 2.236
66 1HH1 ARG 9 HH21 ARG 9 -3.375 8.268 2.643
67 2HH1 ARG 9 HH22 ARG 9 -2.846 8.130 4.287
68 1HH2 ARG 9 HH11 ARG 9 -3.525 4.736 4.498
69 2HH2 ARG 9 HH12 ARG 9 -2.932 6.131 5.337
70 H LEU 10 HN LEU 10 -2.822 0.328 2.463
71 HA LEU 10 HA LEU 10 -0.505 0.637 4.046
72 1HB LEU 10 HB2 LEU 10 -2.672 -0.558 4.565
73 2HB LEU 10 HB1 LEU 10 -2.100 -1.901 3.574
74 HG LEU 10 HG LEU 10 0.013 -1.224 5.347
75 1HD1 LEU 10 HD11 LEU 10 -0.922 -1.169 7.488
76 2HD1 LEU 10 HD12 LEU 10 -2.451 -1.864 6.945
77 3HD1 LEU 10 HD13 LEU 10 -2.066 -0.183 6.576
78 1HD2 LEU 10 HD21 LEU 10 -0.007 -3.494 5.708
79 2HD2 LEU 10 HD22 LEU 10 -1.072 -3.465 4.301
80 3HD2 LEU 10 HD23 LEU 10 -1.757 -3.549 5.926
81 H PHE 11 HN PHE 11 -1.138 -1.937 1.621
82 HA PHE 11 HA PHE 11 1.371 -3.211 1.697
83 1HB PHE 11 HB2 PHE 11 -0.971 -3.418 0.302
84 2HB PHE 11 HB1 PHE 11 0.119 -2.847 -0.962
85 HD1 PHE 11 HD1 PHE 11 2.264 -4.106 -1.409
86 HD2 PHE 11 HD2 PHE 11 -0.833 -5.645 1.138
87 HE1 PHE 11 HE1 PHE 11 3.234 -6.380 -1.602
88 HE2 PHE 11 HE2 PHE 11 0.137 -7.918 0.945
89 HZ PHE 11 HZ PHE 11 2.172 -8.286 -0.426
90 H ASN 12 HN ASN 12 0.356 -0.605 -0.555
91 HA ASN 12 HA ASN 12 2.806 -0.212 -1.883
92 1HB ASN 12 HB2 ASN 12 0.772 1.862 -0.999
93 2HB ASN 12 HB1 ASN 12 1.881 2.009 -2.365
94 1HD2 ASN 12 HD21 ASN 12 1.499 -0.937 -3.029
95 2HD2 ASN 12 HD22 ASN 12 -0.021 -1.015 -3.782
96 H ARG 13 HN ARG 13 1.637 1.488 1.053
97 HA ARG 13 HA ARG 13 3.920 3.080 1.539
98 1HB ARG 13 HB2 ARG 13 1.747 3.262 2.688
99 2HB ARG 13 HB1 ARG 13 2.022 1.705 3.470
100 1HG ARG 13 HG2 ARG 13 3.556 2.561 4.945
101 2HG ARG 13 HG1 ARG 13 4.162 3.746 3.788
102 1HD ARG 13 HD2 ARG 13 2.981 4.976 5.508
103 2HD ARG 13 HD1 ARG 13 1.934 4.975 4.075
104 HE ARG 13 HE ARG 13 1.046 2.741 5.261
105 1HH1 ARG 13 HH11 ARG 13 0.654 5.959 5.928
106 2HH1 ARG 13 HH12 ARG 13 0.133 5.760 7.568
107 1HH2 ARG 13 HH21 ARG 13 0.924 2.387 7.691
108 2HH2 ARG 13 HH22 ARG 13 0.287 3.738 8.566
109 H SER 14 HN SER 14 3.165 -0.103 3.022
110 HA SER 14 HA SER 14 5.583 -0.500 4.405
111 1HB SER 14 HB2 SER 14 3.288 -2.000 3.498
112 2HB SER 14 HB1 SER 14 4.740 -2.983 3.333
113 HG SER 14 HG SER 14 5.218 -2.374 5.535
114 H PHE 15 HN PHE 15 4.803 -1.265 1.006
115 HA PHE 15 HA PHE 15 7.269 -2.558 0.347
116 1HB PHE 15 HB2 PHE 15 4.844 -1.799 -0.866
117 2HB PHE 15 HB1 PHE 15 6.103 -1.011 -1.817
118 HD1 PHE 15 HD1 PHE 15 8.310 -3.056 -1.250
119 HD2 PHE 15 HD2 PHE 15 4.210 -3.494 -2.456
120 HE1 PHE 15 HE1 PHE 15 8.857 -5.224 -2.325
121 HE2 PHE 15 HE2 PHE 15 4.757 -5.661 -3.530
122 HZ PHE 15 HZ PHE 15 7.081 -6.527 -3.464
123 H THR 16 HN THR 16 6.246 0.852 -0.076
124 HA THR 16 HA THR 16 8.694 1.810 -1.188
125 HB THR 16 HB THR 16 6.430 3.032 0.401
126 HG1 THR 16 HG1 THR 16 7.095 3.698 -2.214
127 1HG2 THR 16 HG21 THR 16 8.409 4.395 0.841
128 2HG2 THR 16 HG22 THR 16 7.342 5.245 -0.277
129 3HG2 THR 16 HG23 THR 16 8.789 4.437 -0.881
130 H GLN 17 HN GLN 17 7.593 1.538 2.193
131 HA GLN 17 HA GLN 17 9.855 2.859 3.382
132 1HB GLN 17 HB2 GLN 17 7.813 2.575 4.606
133 2HB GLN 17 HB1 GLN 17 7.809 0.834 4.321
134 1HG GLN 17 HG2 GLN 17 10.289 1.578 5.573
135 2HG GLN 17 HG1 GLN 17 8.946 2.221 6.519
136 1HE2 GLN 17 HE21 GLN 17 10.705 -0.065 7.257
137 2HE2 GLN 17 HE22 GLN 17 9.682 -1.409 7.426
138 H ALA 18 HN ALA 18 9.092 -0.642 3.134
139 HA ALA 18 HA ALA 18 11.644 -1.541 4.088
140 1HB ALA 18 HB1 ALA 18 10.444 -3.413 2.286
141 2HB ALA 18 HB2 ALA 18 9.150 -2.579 3.146
142 3HB ALA 18 HB3 ALA 18 10.405 -3.428 4.049
143 H LEU 19 HN LEU 19 10.344 -1.313 0.752
144 HA LEU 19 HA LEU 19 12.624 -2.190 -0.656
145 1HB LEU 19 HB2 LEU 19 10.354 -1.725 -1.568
146 2HB LEU 19 HB1 LEU 19 10.650 0.003 -1.374
147 HG LEU 19 HG LEU 19 12.656 -0.235 -2.865
148 1HD1 LEU 19 HD11 LEU 19 11.555 -3.045 -3.072
149 2HD1 LEU 19 HD12 LEU 19 13.193 -2.551 -2.641
150 3HD1 LEU 19 HD13 LEU 19 12.619 -2.356 -4.298
151 1HD2 LEU 19 HD21 LEU 19 10.755 -1.223 -4.751
152 2HD2 LEU 19 HD22 LEU 19 11.200 0.455 -4.440
153 3HD2 LEU 19 HD23 LEU 19 9.872 -0.285 -3.547
154 H GLY 20 HN GLY 20 11.940 0.959 0.805
155 1HA GLY 20 HA2 GLY 20 14.337 2.175 -0.403
156 2HA GLY 20 HA1 GLY 20 13.218 2.972 0.707
157 H LYS 21 HN LYS 21 13.877 0.025 2.082
158 HA LYS 21 HA LYS 21 16.513 0.495 3.197
159 1HB LYS 21 HB2 LYS 21 15.466 2.334 4.306
160 2HB LYS 21 HB1 LYS 21 14.025 1.383 4.672
161 1HG LYS 21 HG2 LYS 21 14.996 0.351 6.470
162 2HG LYS 21 HG1 LYS 21 16.589 0.307 5.713
163 1HD LYS 21 HD2 LYS 21 15.544 3.004 6.384
164 2HD LYS 21 HD1 LYS 21 15.975 1.979 7.752
165 1HE LYS 21 HE2 LYS 21 18.180 2.330 7.372
166 2HE LYS 21 HE1 LYS 21 18.007 1.801 5.686
167 1HZ LYS 21 HZ1 LYS 21 17.206 3.944 5.066
168 2HZ LYS 21 HZ2 LYS 21 18.650 4.178 5.929
169 3HZ LYS 21 HZ3 LYS 21 17.153 4.466 6.679
170 1HN NH2 22 1HN NH2 22 13.347 -0.769 4.423
171 2HN NH2 22 2HN NH2 22 13.915 -2.343 4.713
Start of MODEL 30
1 1H SER 1 1H SER 1 -14.164 -6.907 -6.030
2 2H SER 1 2H SER 1 -12.623 -6.789 -6.736
3 3H SER 1 3H SER 1 -13.801 -5.607 -7.057
4 HA SER 1 HA SER 1 -13.044 -6.031 -4.256
5 1HB SER 1 HB2 SER 1 -11.166 -4.275 -4.956
6 2HB SER 1 HB1 SER 1 -10.870 -6.007 -5.071
7 HG SER 1 HG SER 1 -11.317 -4.112 -7.063
8 H GLY 2 HN GLY 2 -12.813 -3.651 -3.366
9 1HA GLY 2 HA2 GLY 2 -14.142 -1.527 -4.801
10 2HA GLY 2 HA1 GLY 2 -15.238 -2.282 -3.644
11 H SER 3 HN SER 3 -14.268 -2.525 -1.365
12 HA SER 3 HA SER 3 -13.136 0.093 -0.585
13 1HB SER 3 HB2 SER 3 -15.083 -1.438 0.436
14 2HB SER 3 HB1 SER 3 -13.731 -2.116 1.339
15 HG SER 3 HG SER 3 -13.231 0.002 2.022
16 H LEU 4 HN LEU 4 -11.120 -1.045 -1.915
17 HA LEU 4 HA LEU 4 -9.442 -2.572 0.026
18 1HB LEU 4 HB2 LEU 4 -10.000 -2.858 -2.665
19 2HB LEU 4 HB1 LEU 4 -8.434 -2.046 -2.689
20 HG LEU 4 HG LEU 4 -7.764 -3.811 -0.886
21 1HD1 LEU 4 HD11 LEU 4 -8.983 -5.966 -1.202
22 2HD1 LEU 4 HD12 LEU 4 -10.161 -5.121 -2.207
23 3HD1 LEU 4 HD13 LEU 4 -10.003 -4.710 -0.499
24 1HD2 LEU 4 HD21 LEU 4 -6.923 -3.665 -3.252
25 2HD2 LEU 4 HD22 LEU 4 -8.250 -4.720 -3.740
26 3HD2 LEU 4 HD23 LEU 4 -7.008 -5.316 -2.638
27 H SER 5 HN SER 5 -10.015 0.594 -0.733
28 HA SER 5 HA SER 5 -7.663 1.927 -1.297
29 1HB SER 5 HB2 SER 5 -9.686 2.521 0.886
30 2HB SER 5 HB1 SER 5 -8.576 3.701 0.194
31 HG SER 5 HG SER 5 -10.796 3.529 -0.719
32 H THR 6 HN THR 6 -8.621 1.384 2.113
33 HA THR 6 HA THR 6 -6.236 1.950 3.391
34 HB THR 6 HB THR 6 -7.045 -0.007 4.944
35 HG1 THR 6 HG1 THR 6 -8.987 -0.839 4.410
36 1HG2 THR 6 HG21 THR 6 -9.129 1.409 5.508
37 2HG2 THR 6 HG22 THR 6 -8.609 2.459 4.189
38 3HG2 THR 6 HG23 THR 6 -7.559 2.210 5.585
39 H PHE 7 HN PHE 7 -7.129 -1.394 2.434
40 HA PHE 7 HA PHE 7 -4.733 -2.705 2.914
41 1HB PHE 7 HB2 PHE 7 -6.642 -2.951 0.567
42 2HB PHE 7 HB1 PHE 7 -5.461 -4.180 1.019
43 HD1 PHE 7 HD1 PHE 7 -5.622 -5.304 3.256
44 HD2 PHE 7 HD2 PHE 7 -8.689 -2.682 1.780
45 HE1 PHE 7 HE1 PHE 7 -7.207 -6.212 4.935
46 HE2 PHE 7 HE2 PHE 7 -10.272 -3.589 3.460
47 HZ PHE 7 HZ PHE 7 -9.531 -5.355 5.037
48 H PHE 8 HN PHE 8 -5.566 -1.428 -0.335
49 HA PHE 8 HA PHE 8 -3.117 -1.679 -1.606
50 1HB PHE 8 HB2 PHE 8 -5.200 -0.842 -2.619
51 2HB PHE 8 HB1 PHE 8 -5.066 0.649 -1.686
52 HD1 PHE 8 HD1 PHE 8 -2.222 -1.181 -3.209
53 HD2 PHE 8 HD2 PHE 8 -4.842 2.209 -3.500
54 HE1 PHE 8 HE1 PHE 8 -0.768 -0.209 -4.966
55 HE2 PHE 8 HE2 PHE 8 -3.388 3.181 -5.259
56 HZ PHE 8 HZ PHE 8 -1.350 1.972 -5.991
57 H ARG 9 HN ARG 9 -4.134 1.275 0.167
58 HA ARG 9 HA ARG 9 -1.722 2.703 0.053
59 1HB ARG 9 HB2 ARG 9 -4.083 3.229 1.032
60 2HB ARG 9 HB1 ARG 9 -3.434 2.567 2.533
61 1HG ARG 9 HG2 ARG 9 -1.954 4.306 2.825
62 2HG ARG 9 HG1 ARG 9 -1.760 4.570 1.091
63 1HD ARG 9 HD2 ARG 9 -4.490 5.114 1.725
64 2HD ARG 9 HD1 ARG 9 -3.477 5.985 2.894
65 HE ARG 9 HE ARG 9 -2.378 7.112 1.050
66 1HH1 ARG 9 HH21 ARG 9 -5.442 6.982 0.367
67 2HH1 ARG 9 HH22 ARG 9 -5.342 6.683 -1.336
68 1HH2 ARG 9 HH11 ARG 9 -1.982 5.829 -1.257
69 2HH2 ARG 9 HH12 ARG 9 -3.383 6.030 -2.255
70 H LEU 10 HN LEU 10 -2.730 0.347 2.560
71 HA LEU 10 HA LEU 10 -0.416 0.469 4.188
72 1HB LEU 10 HB2 LEU 10 -2.599 -1.466 3.568
73 2HB LEU 10 HB1 LEU 10 -1.201 -2.100 4.438
74 HG LEU 10 HG LEU 10 -1.450 -0.190 6.066
75 1HD1 LEU 10 HD11 LEU 10 -4.181 0.142 4.806
76 2HD1 LEU 10 HD12 LEU 10 -2.817 1.183 4.399
77 3HD1 LEU 10 HD13 LEU 10 -3.434 1.143 6.051
78 1HD2 LEU 10 HD21 LEU 10 -2.324 -2.087 7.029
79 2HD2 LEU 10 HD22 LEU 10 -3.394 -2.411 5.665
80 3HD2 LEU 10 HD23 LEU 10 -3.831 -1.187 6.856
81 H PHE 11 HN PHE 11 -1.115 -1.830 1.519
82 HA PHE 11 HA PHE 11 1.363 -3.197 1.524
83 1HB PHE 11 HB2 PHE 11 -1.008 -3.006 -0.018
84 2HB PHE 11 HB1 PHE 11 0.332 -2.797 -1.145
85 HD1 PHE 11 HD1 PHE 11 1.496 -4.673 -1.932
86 HD2 PHE 11 HD2 PHE 11 -0.787 -4.971 1.695
87 HE1 PHE 11 HE1 PHE 11 1.953 -7.108 -1.844
88 HE2 PHE 11 HE2 PHE 11 -0.330 -7.406 1.783
89 HZ PHE 11 HZ PHE 11 1.040 -8.475 0.014
90 H ASN 12 HN ASN 12 0.402 -0.402 -0.514
91 HA ASN 12 HA ASN 12 2.849 0.022 -1.839
92 1HB ASN 12 HB2 ASN 12 0.396 1.176 -1.762
93 2HB ASN 12 HB1 ASN 12 1.328 2.395 -0.891
94 1HD2 ASN 12 HD21 ASN 12 3.840 2.033 -2.294
95 2HD2 ASN 12 HD22 ASN 12 3.621 2.574 -3.888
96 H ARG 13 HN ARG 13 1.753 1.505 1.239
97 HA ARG 13 HA ARG 13 4.092 2.998 1.809
98 1HB ARG 13 HB2 ARG 13 1.675 2.056 3.113
99 2HB ARG 13 HB1 ARG 13 3.035 2.039 4.237
100 1HG ARG 13 HG2 ARG 13 2.872 4.270 4.451
101 2HG ARG 13 HG1 ARG 13 3.213 4.448 2.730
102 1HD ARG 13 HD2 ARG 13 0.592 3.690 2.632
103 2HD ARG 13 HD1 ARG 13 0.620 4.606 4.152
104 HE ARG 13 HE ARG 13 1.498 6.530 2.914
105 1HH1 ARG 13 HH11 ARG 13 1.552 3.819 0.885
106 2HH1 ARG 13 HH12 ARG 13 1.027 4.667 -0.532
107 1HH2 ARG 13 HH21 ARG 13 0.396 7.630 1.153
108 2HH2 ARG 13 HH22 ARG 13 0.373 6.825 -0.379
109 H SER 14 HN SER 14 3.229 -0.281 2.995
110 HA SER 14 HA SER 14 5.598 -0.865 4.397
111 1HB SER 14 HB2 SER 14 3.826 -2.655 2.701
112 2HB SER 14 HB1 SER 14 4.938 -3.222 3.944
113 HG SER 14 HG SER 14 3.059 -3.008 5.004
114 H PHE 15 HN PHE 15 4.873 -1.623 0.964
115 HA PHE 15 HA PHE 15 7.385 -2.733 0.272
116 1HB PHE 15 HB2 PHE 15 5.054 -2.405 -0.958
117 2HB PHE 15 HB1 PHE 15 5.859 -0.984 -1.626
118 HD1 PHE 15 HD1 PHE 15 8.701 -2.202 -1.521
119 HD2 PHE 15 HD2 PHE 15 4.954 -3.660 -3.033
120 HE1 PHE 15 HE1 PHE 15 9.913 -3.643 -3.134
121 HE2 PHE 15 HE2 PHE 15 6.166 -5.102 -4.646
122 HZ PHE 15 HZ PHE 15 8.646 -5.093 -4.697
123 H THR 16 HN THR 16 6.286 0.638 -0.305
124 HA THR 16 HA THR 16 8.720 1.712 -1.224
125 HB THR 16 HB THR 16 7.735 3.856 -0.391
126 HG1 THR 16 HG1 THR 16 5.903 3.769 0.850
127 1HG2 THR 16 HG21 THR 16 6.470 3.716 -2.240
128 2HG2 THR 16 HG22 THR 16 5.263 2.795 -1.340
129 3HG2 THR 16 HG23 THR 16 6.569 1.955 -2.179
130 H GLN 17 HN GLN 17 7.526 1.564 2.153
131 HA GLN 17 HA GLN 17 9.726 2.795 3.431
132 1HB GLN 17 HB2 GLN 17 7.365 1.392 4.079
133 2HB GLN 17 HB1 GLN 17 8.663 0.552 4.928
134 1HG GLN 17 HG2 GLN 17 8.826 3.498 5.040
135 2HG GLN 17 HG1 GLN 17 7.428 2.807 5.864
136 1HE2 GLN 17 HE21 GLN 17 7.892 1.128 7.559
137 2HE2 GLN 17 HE22 GLN 17 9.390 1.146 8.358
138 H ALA 18 HN ALA 18 9.185 -0.730 3.002
139 HA ALA 18 HA ALA 18 11.743 -1.560 3.945
140 1HB ALA 18 HB1 ALA 18 10.264 -3.312 3.781
141 2HB ALA 18 HB2 ALA 18 11.013 -3.501 2.195
142 3HB ALA 18 HB3 ALA 18 9.480 -2.643 2.350
143 H LEU 19 HN LEU 19 10.666 -1.551 0.522
144 HA LEU 19 HA LEU 19 13.229 -1.853 -0.639
145 1HB LEU 19 HB2 LEU 19 10.523 -1.356 -1.400
146 2HB LEU 19 HB1 LEU 19 11.538 -0.203 -2.267
147 HG LEU 19 HG LEU 19 11.264 -2.348 -3.508
148 1HD1 LEU 19 HD11 LEU 19 13.316 -1.959 -4.350
149 2HD1 LEU 19 HD12 LEU 19 14.082 -2.619 -2.904
150 3HD1 LEU 19 HD13 LEU 19 13.630 -0.915 -2.963
151 1HD2 LEU 19 HD21 LEU 19 13.015 -3.651 -1.440
152 2HD2 LEU 19 HD22 LEU 19 11.952 -4.403 -2.630
153 3HD2 LEU 19 HD23 LEU 19 11.268 -3.624 -1.203
154 H GLY 20 HN GLY 20 11.852 0.887 0.947
155 1HA GLY 20 HA2 GLY 20 13.790 2.739 -0.350
156 2HA GLY 20 HA1 GLY 20 12.421 3.233 0.649
157 H LYS 21 HN LYS 21 13.768 0.637 2.217
158 HA LYS 21 HA LYS 21 15.062 0.496 4.188
159 1HB LYS 21 HB2 LYS 21 16.512 2.411 2.365
160 2HB LYS 21 HB1 LYS 21 17.173 2.015 3.952
161 1HG LYS 21 HG2 LYS 21 17.946 0.051 3.176
162 2HG LYS 21 HG1 LYS 21 16.323 -0.408 2.657
163 1HD LYS 21 HD2 LYS 21 17.516 -0.413 0.638
164 2HD LYS 21 HD1 LYS 21 16.786 1.194 0.643
165 1HE LYS 21 HE2 LYS 21 18.850 2.201 1.437
166 2HE LYS 21 HE1 LYS 21 19.592 0.603 1.650
167 1HZ LYS 21 HZ1 LYS 21 19.247 0.173 -0.710
168 2HZ LYS 21 HZ2 LYS 21 20.214 1.552 -0.486
169 3HZ LYS 21 HZ3 LYS 21 18.578 1.718 -0.913
170 1HN NH2 22 1HN NH2 22 12.897 1.862 4.945
171 2HN NH2 22 2HN NH2 22 13.258 3.302 5.767
Start of MODEL 31
1 1H SER 1 1H SER 1 -1.889 -6.559 -6.958
2 2H SER 1 2H SER 1 -1.994 -7.828 -8.082
3 3H SER 1 3H SER 1 -2.336 -8.111 -6.443
4 HA SER 1 HA SER 1 -3.987 -6.778 -8.482
5 1HB SER 1 HB2 SER 1 -3.896 -9.197 -7.061
6 2HB SER 1 HB1 SER 1 -5.197 -8.282 -6.303
7 HG SER 1 HG SER 1 -4.944 -8.473 -9.110
8 H GLY 2 HN GLY 2 -6.079 -5.868 -7.365
9 1HA GLY 2 HA2 GLY 2 -5.174 -3.924 -5.309
10 2HA GLY 2 HA1 GLY 2 -6.627 -3.767 -6.299
11 H SER 3 HN SER 3 -6.329 -3.671 -3.332
12 HA SER 3 HA SER 3 -8.179 -5.938 -2.658
13 1HB SER 3 HB2 SER 3 -7.034 -5.302 -0.294
14 2HB SER 3 HB1 SER 3 -6.329 -6.474 -1.403
15 HG SER 3 HG SER 3 -4.711 -5.162 -1.592
16 H LEU 4 HN LEU 4 -7.161 -2.675 -1.560
17 HA LEU 4 HA LEU 4 -9.782 -1.537 -1.638
18 1HB LEU 4 HB2 LEU 4 -9.582 -3.470 0.280
19 2HB LEU 4 HB1 LEU 4 -9.126 -2.040 1.207
20 HG LEU 4 HG LEU 4 -11.415 -1.513 -0.515
21 1HD1 LEU 4 HD11 LEU 4 -11.815 -3.937 -0.111
22 2HD1 LEU 4 HD12 LEU 4 -13.028 -2.924 0.670
23 3HD1 LEU 4 HD13 LEU 4 -11.730 -3.640 1.626
24 1HD2 LEU 4 HD21 LEU 4 -12.294 -0.560 1.523
25 2HD2 LEU 4 HD22 LEU 4 -10.570 -0.191 1.476
26 3HD2 LEU 4 HD23 LEU 4 -11.165 -1.492 2.507
27 H SER 5 HN SER 5 -9.796 0.637 -0.688
28 HA SER 5 HA SER 5 -7.558 2.220 -1.013
29 1HB SER 5 HB2 SER 5 -9.956 2.863 -0.481
30 2HB SER 5 HB1 SER 5 -9.593 2.547 1.212
31 HG SER 5 HG SER 5 -7.669 4.038 0.573
32 H THR 6 HN THR 6 -8.626 1.194 2.256
33 HA THR 6 HA THR 6 -6.280 1.900 3.649
34 HB THR 6 HB THR 6 -7.639 -0.589 4.488
35 HG1 THR 6 HG1 THR 6 -9.087 1.825 4.152
36 1HG2 THR 6 HG21 THR 6 -7.295 2.169 5.696
37 2HG2 THR 6 HG22 THR 6 -6.300 0.752 6.030
38 3HG2 THR 6 HG23 THR 6 -7.989 0.781 6.533
39 H PHE 7 HN PHE 7 -7.136 -1.377 2.453
40 HA PHE 7 HA PHE 7 -4.680 -2.647 3.050
41 1HB PHE 7 HB2 PHE 7 -6.971 -3.014 1.176
42 2HB PHE 7 HB1 PHE 7 -5.521 -3.967 0.854
43 HD1 PHE 7 HD1 PHE 7 -8.570 -4.154 2.419
44 HD2 PHE 7 HD2 PHE 7 -4.410 -4.811 3.264
45 HE1 PHE 7 HE1 PHE 7 -9.188 -5.714 4.245
46 HE2 PHE 7 HE2 PHE 7 -5.028 -6.371 5.090
47 HZ PHE 7 HZ PHE 7 -7.417 -6.823 5.580
48 H PHE 8 HN PHE 8 -5.691 -1.393 -0.161
49 HA PHE 8 HA PHE 8 -3.324 -1.699 -1.582
50 1HB PHE 8 HB2 PHE 8 -5.651 -0.695 -2.182
51 2HB PHE 8 HB1 PHE 8 -4.945 0.845 -1.692
52 HD1 PHE 8 HD1 PHE 8 -2.556 1.363 -2.709
53 HD2 PHE 8 HD2 PHE 8 -5.382 -1.401 -4.391
54 HE1 PHE 8 HE1 PHE 8 -1.427 1.549 -4.909
55 HE2 PHE 8 HE2 PHE 8 -4.253 -1.216 -6.592
56 HZ PHE 8 HZ PHE 8 -2.276 0.259 -6.851
57 H ARG 9 HN ARG 9 -4.194 1.313 0.173
58 HA ARG 9 HA ARG 9 -1.733 2.650 -0.065
59 1HB ARG 9 HB2 ARG 9 -4.082 3.250 0.975
60 2HB ARG 9 HB1 ARG 9 -3.333 2.715 2.479
61 1HG ARG 9 HG2 ARG 9 -1.429 4.366 1.190
62 2HG ARG 9 HG1 ARG 9 -2.976 5.209 1.082
63 1HD ARG 9 HD2 ARG 9 -2.578 4.005 3.720
64 2HD ARG 9 HD1 ARG 9 -1.315 5.187 3.316
65 HE ARG 9 HE ARG 9 -4.197 5.870 2.910
66 1HH1 ARG 9 HH21 ARG 9 -1.082 7.062 3.113
67 2HH1 ARG 9 HH22 ARG 9 -1.453 8.362 4.196
68 1HH2 ARG 9 HH11 ARG 9 -4.692 7.283 4.804
69 2HH2 ARG 9 HH12 ARG 9 -3.497 8.487 5.152
70 H LEU 10 HN LEU 10 -2.758 0.328 2.453
71 HA LEU 10 HA LEU 10 -0.463 0.454 4.111
72 1HB LEU 10 HB2 LEU 10 -2.769 -0.768 4.296
73 2HB LEU 10 HB1 LEU 10 -1.940 -2.097 3.486
74 HG LEU 10 HG LEU 10 -1.109 -0.780 6.088
75 1HD1 LEU 10 HD11 LEU 10 -2.222 -3.509 5.384
76 2HD1 LEU 10 HD12 LEU 10 -2.957 -2.293 6.428
77 3HD1 LEU 10 HD13 LEU 10 -1.494 -3.130 6.944
78 1HD2 LEU 10 HD21 LEU 10 0.188 -2.952 4.415
79 2HD2 LEU 10 HD22 LEU 10 0.632 -2.606 6.086
80 3HD2 LEU 10 HD23 LEU 10 0.877 -1.385 4.838
81 H PHE 11 HN PHE 11 -1.135 -1.862 1.450
82 HA PHE 11 HA PHE 11 1.385 -3.174 1.478
83 1HB PHE 11 HB2 PHE 11 -1.018 -3.081 -0.049
84 2HB PHE 11 HB1 PHE 11 0.323 -2.935 -1.185
85 HD1 PHE 11 HD1 PHE 11 -0.458 -4.861 1.948
86 HD2 PHE 11 HD2 PHE 11 1.158 -4.930 -2.031
87 HE1 PHE 11 HE1 PHE 11 0.006 -7.285 2.179
88 HE2 PHE 11 HE2 PHE 11 1.621 -7.356 -1.800
89 HZ PHE 11 HZ PHE 11 1.045 -8.533 0.305
90 H ASN 12 HN ASN 12 0.296 -0.351 -0.439
91 HA ASN 12 HA ASN 12 2.667 0.069 -1.936
92 1HB ASN 12 HB2 ASN 12 0.309 1.151 -2.014
93 2HB ASN 12 HB1 ASN 12 0.935 2.267 -0.799
94 1HD2 ASN 12 HD21 ASN 12 0.493 3.830 -2.752
95 2HD2 ASN 12 HD22 ASN 12 1.779 4.053 -3.837
96 H ARG 13 HN ARG 13 1.699 1.767 1.078
97 HA ARG 13 HA ARG 13 4.126 3.135 1.540
98 1HB ARG 13 HB2 ARG 13 1.731 2.270 3.026
99 2HB ARG 13 HB1 ARG 13 3.147 2.527 4.045
100 1HG ARG 13 HG2 ARG 13 2.785 4.618 2.016
101 2HG ARG 13 HG1 ARG 13 1.448 4.517 3.164
102 1HD ARG 13 HD2 ARG 13 3.692 4.262 4.792
103 2HD ARG 13 HD1 ARG 13 4.177 5.485 3.599
104 HE ARG 13 HE ARG 13 2.658 6.925 4.679
105 1HH1 ARG 13 HH21 ARG 13 2.003 3.717 5.614
106 2HH1 ARG 13 HH22 ARG 13 0.390 4.042 6.156
107 1HH2 ARG 13 HH11 ARG 13 0.401 7.332 5.059
108 2HH2 ARG 13 HH12 ARG 13 -0.517 6.088 5.842
109 H SER 14 HN SER 14 3.107 -0.024 2.908
110 HA SER 14 HA SER 14 5.439 -0.668 4.335
111 1HB SER 14 HB2 SER 14 3.108 -1.982 3.196
112 2HB SER 14 HB1 SER 14 4.515 -3.039 3.139
113 HG SER 14 HG SER 14 4.795 -2.261 5.428
114 H PHE 15 HN PHE 15 4.724 -1.304 0.885
115 HA PHE 15 HA PHE 15 7.177 -2.639 0.266
116 1HB PHE 15 HB2 PHE 15 4.902 -1.347 -1.106
117 2HB PHE 15 HB1 PHE 15 6.392 -1.389 -2.050
118 HD1 PHE 15 HD1 PHE 15 6.809 -3.287 -3.330
119 HD2 PHE 15 HD2 PHE 15 4.387 -3.632 0.200
120 HE1 PHE 15 HE1 PHE 15 6.429 -5.687 -3.825
121 HE2 PHE 15 HE2 PHE 15 4.008 -6.033 -0.294
122 HZ PHE 15 HZ PHE 15 5.029 -7.060 -2.307
123 H THR 16 HN THR 16 6.237 0.787 -0.251
124 HA THR 16 HA THR 16 8.720 1.719 -1.246
125 HB THR 16 HB THR 16 7.699 3.849 0.118
126 HG1 THR 16 HG1 THR 16 5.392 3.472 0.036
127 1HG2 THR 16 HG21 THR 16 6.090 3.971 -1.963
128 2HG2 THR 16 HG22 THR 16 6.982 2.542 -2.485
129 3HG2 THR 16 HG23 THR 16 7.836 4.058 -2.196
130 H GLN 17 HN GLN 17 7.520 1.730 2.134
131 HA GLN 17 HA GLN 17 9.864 2.819 3.334
132 1HB GLN 17 HB2 GLN 17 7.377 2.148 4.130
133 2HB GLN 17 HB1 GLN 17 8.255 0.757 4.766
134 1HG GLN 17 HG2 GLN 17 9.357 3.505 5.240
135 2HG GLN 17 HG1 GLN 17 8.006 2.944 6.226
136 1HE2 GLN 17 HE21 GLN 17 8.708 1.966 8.121
137 2HE2 GLN 17 HE22 GLN 17 10.138 1.068 8.288
138 H ALA 18 HN ALA 18 8.928 -0.569 2.699
139 HA ALA 18 HA ALA 18 11.161 -1.816 3.974
140 1HB ALA 18 HB1 ALA 18 9.069 -2.926 3.248
141 2HB ALA 18 HB2 ALA 18 10.481 -3.733 2.565
142 3HB ALA 18 HB3 ALA 18 9.513 -2.652 1.564
143 H LEU 19 HN LEU 19 10.677 -0.785 0.581
144 HA LEU 19 HA LEU 19 13.078 -1.712 -0.551
145 1HB LEU 19 HB2 LEU 19 11.397 0.770 -0.978
146 2HB LEU 19 HB1 LEU 19 12.736 0.346 -2.045
147 HG LEU 19 HG LEU 19 10.312 -1.376 -1.453
148 1HD1 LEU 19 HD11 LEU 19 9.730 0.405 -2.966
149 2HD1 LEU 19 HD12 LEU 19 9.958 -1.047 -3.942
150 3HD1 LEU 19 HD13 LEU 19 11.219 0.185 -3.886
151 1HD2 LEU 19 HD21 LEU 19 11.415 -2.690 -3.432
152 2HD2 LEU 19 HD22 LEU 19 12.049 -2.919 -1.803
153 3HD2 LEU 19 HD23 LEU 19 12.888 -1.859 -2.935
154 H GLY 20 HN GLY 20 12.524 1.545 0.859
155 1HA GLY 20 HA2 GLY 20 14.329 2.257 2.522
156 2HA GLY 20 HA1 GLY 20 15.481 1.718 1.297
157 H LYS 21 HN LYS 21 12.927 2.987 -0.395
158 HA LYS 21 HA LYS 21 14.419 5.461 -0.968
159 1HB LYS 21 HB2 LYS 21 12.790 3.668 -2.347
160 2HB LYS 21 HB1 LYS 21 11.783 5.108 -2.190
161 1HG LYS 21 HG2 LYS 21 13.014 6.226 -3.710
162 2HG LYS 21 HG1 LYS 21 14.515 5.816 -2.879
163 1HD LYS 21 HD2 LYS 21 14.366 3.522 -3.935
164 2HD LYS 21 HD1 LYS 21 13.028 4.131 -4.909
165 1HE LYS 21 HE2 LYS 21 14.476 5.864 -5.875
166 2HE LYS 21 HE1 LYS 21 15.826 5.320 -4.858
167 1HZ LYS 21 HZ1 LYS 21 16.020 3.361 -5.985
168 2HZ LYS 21 HZ2 LYS 21 15.483 4.348 -7.258
169 3HZ LYS 21 HZ3 LYS 21 14.390 3.326 -6.455
170 1HN NH2 22 1HN NH2 22 13.231 7.615 -0.922
171 2HN NH2 22 2HN NH2 22 12.060 7.886 0.277
Start of MODEL 32
1 1H SER 1 1H SER 1 -15.158 -4.070 -1.390
2 2H SER 1 2H SER 1 -13.730 -3.157 -1.270
3 3H SER 1 3H SER 1 -13.884 -4.615 -0.412
4 HA SER 1 HA SER 1 -13.493 -5.915 -2.237
5 1HB SER 1 HB2 SER 1 -14.126 -5.026 -4.514
6 2HB SER 1 HB1 SER 1 -15.472 -5.097 -3.379
7 HG SER 1 HG SER 1 -15.353 -2.927 -3.103
8 H GLY 2 HN GLY 2 -12.933 -2.927 -4.003
9 1HA GLY 2 HA2 GLY 2 -9.999 -3.272 -3.514
10 2HA GLY 2 HA1 GLY 2 -10.660 -2.783 -5.076
11 H SER 3 HN SER 3 -10.651 -0.625 -5.457
12 HA SER 3 HA SER 3 -10.577 1.703 -5.050
13 1HB SER 3 HB2 SER 3 -11.742 1.196 -2.340
14 2HB SER 3 HB1 SER 3 -12.207 2.390 -3.548
15 HG SER 3 HG SER 3 -12.756 0.308 -4.787
16 H LEU 4 HN LEU 4 -8.280 0.056 -4.256
17 HA LEU 4 HA LEU 4 -6.241 0.396 -3.107
18 1HB LEU 4 HB2 LEU 4 -7.628 2.916 -3.320
19 2HB LEU 4 HB1 LEU 4 -6.766 2.852 -1.782
20 HG LEU 4 HG LEU 4 -5.165 1.779 -3.972
21 1HD1 LEU 4 HD11 LEU 4 -6.759 3.945 -4.713
22 2HD1 LEU 4 HD12 LEU 4 -5.268 3.436 -5.506
23 3HD1 LEU 4 HD13 LEU 4 -5.223 4.684 -4.261
24 1HD2 LEU 4 HD21 LEU 4 -4.669 4.185 -2.201
25 2HD2 LEU 4 HD22 LEU 4 -3.471 3.132 -2.953
26 3HD2 LEU 4 HD23 LEU 4 -4.467 2.529 -1.630
27 H SER 5 HN SER 5 -8.555 2.050 -0.942
28 HA SER 5 HA SER 5 -9.075 1.645 1.329
29 1HB SER 5 HB2 SER 5 -9.709 -0.505 -0.126
30 2HB SER 5 HB1 SER 5 -8.454 -1.244 0.863
31 HG SER 5 HG SER 5 -9.873 -1.307 2.398
32 H THR 6 HN THR 6 -8.107 0.803 3.407
33 HA THR 6 HA THR 6 -5.419 1.498 3.778
34 HB THR 6 HB THR 6 -6.961 -0.641 5.279
35 HG1 THR 6 HG1 THR 6 -8.331 1.012 5.283
36 1HG2 THR 6 HG21 THR 6 -4.727 1.265 5.986
37 2HG2 THR 6 HG22 THR 6 -4.739 -0.494 6.114
38 3HG2 THR 6 HG23 THR 6 -5.715 0.477 7.216
39 H PHE 7 HN PHE 7 -6.792 -1.619 2.805
40 HA PHE 7 HA PHE 7 -4.532 -3.291 3.146
41 1HB PHE 7 HB2 PHE 7 -6.933 -3.169 1.355
42 2HB PHE 7 HB1 PHE 7 -5.688 -4.367 1.001
43 HD1 PHE 7 HD1 PHE 7 -7.476 -2.991 4.008
44 HD2 PHE 7 HD2 PHE 7 -5.948 -6.457 1.983
45 HE1 PHE 7 HE1 PHE 7 -8.347 -4.437 5.825
46 HE2 PHE 7 HE2 PHE 7 -6.821 -7.904 3.799
47 HZ PHE 7 HZ PHE 7 -8.021 -6.893 5.720
48 H PHE 8 HN PHE 8 -5.550 -1.695 0.090
49 HA PHE 8 HA PHE 8 -3.092 -2.221 -1.293
50 1HB PHE 8 HB2 PHE 8 -5.452 -1.543 -2.122
51 2HB PHE 8 HB1 PHE 8 -4.948 0.113 -1.782
52 HD1 PHE 8 HD1 PHE 8 -2.801 0.979 -2.867
53 HD2 PHE 8 HD2 PHE 8 -4.752 -2.646 -4.096
54 HE1 PHE 8 HE1 PHE 8 -1.572 1.047 -5.019
55 HE2 PHE 8 HE2 PHE 8 -3.523 -2.577 -6.249
56 HZ PHE 8 HZ PHE 8 -1.934 -0.731 -6.711
57 H ARG 9 HN ARG 9 -4.282 0.718 0.379
58 HA ARG 9 HA ARG 9 -1.997 2.355 -0.089
59 1HB ARG 9 HB2 ARG 9 -4.430 2.313 1.479
60 2HB ARG 9 HB1 ARG 9 -3.105 2.973 2.439
61 1HG ARG 9 HG2 ARG 9 -2.583 4.579 0.661
62 2HG ARG 9 HG1 ARG 9 -3.858 3.897 -0.350
63 1HD ARG 9 HD2 ARG 9 -5.429 4.434 1.671
64 2HD ARG 9 HD1 ARG 9 -4.126 5.532 2.169
65 HE ARG 9 HE ARG 9 -4.650 5.868 -0.634
66 1HH1 ARG 9 HH11 ARG 9 -7.098 5.833 1.546
67 2HH1 ARG 9 HH12 ARG 9 -7.468 7.524 1.480
68 1HH2 ARG 9 HH21 ARG 9 -4.622 8.349 -0.321
69 2HH2 ARG 9 HH22 ARG 9 -6.066 8.948 0.423
70 H LEU 10 HN LEU 10 -2.742 0.079 2.558
71 HA LEU 10 HA LEU 10 -0.399 0.634 4.132
72 1HB LEU 10 HB2 LEU 10 -2.410 -0.481 4.981
73 2HB LEU 10 HB1 LEU 10 -2.171 -1.817 3.854
74 HG LEU 10 HG LEU 10 0.236 -1.856 5.044
75 1HD1 LEU 10 HD11 LEU 10 -1.037 0.071 6.545
76 2HD1 LEU 10 HD12 LEU 10 0.333 -0.892 7.098
77 3HD1 LEU 10 HD13 LEU 10 -1.312 -1.383 7.502
78 1HD2 LEU 10 HD21 LEU 10 -0.891 -3.874 5.101
79 2HD2 LEU 10 HD22 LEU 10 -2.385 -3.142 5.688
80 3HD2 LEU 10 HD23 LEU 10 -1.043 -3.419 6.798
81 H PHE 11 HN PHE 11 -1.109 -1.995 1.797
82 HA PHE 11 HA PHE 11 1.433 -3.271 1.907
83 1HB PHE 11 HB2 PHE 11 -0.928 -3.122 0.117
84 2HB PHE 11 HB1 PHE 11 0.558 -3.702 -0.637
85 HD1 PHE 11 HD1 PHE 11 -2.305 -4.849 0.844
86 HD2 PHE 11 HD2 PHE 11 1.953 -5.280 1.204
87 HE1 PHE 11 HE1 PHE 11 -2.620 -7.061 1.919
88 HE2 PHE 11 HE2 PHE 11 1.639 -7.492 2.280
89 HZ PHE 11 HZ PHE 11 -0.648 -8.383 2.637
90 H ASN 12 HN ASN 12 0.255 -0.603 -0.150
91 HA ASN 12 HA ASN 12 2.634 -0.379 -1.760
92 1HB ASN 12 HB2 ASN 12 0.121 1.065 -1.220
93 2HB ASN 12 HB1 ASN 12 1.450 2.107 -1.729
94 1HD2 ASN 12 HD21 ASN 12 2.361 1.759 -3.883
95 2HD2 ASN 12 HD22 ASN 12 1.550 0.823 -5.043
96 H ARG 13 HN ARG 13 1.488 1.551 1.039
97 HA ARG 13 HA ARG 13 3.771 3.227 1.282
98 1HB ARG 13 HB2 ARG 13 1.785 2.128 3.294
99 2HB ARG 13 HB1 ARG 13 2.915 3.434 3.653
100 1HG ARG 13 HG2 ARG 13 1.065 3.580 1.275
101 2HG ARG 13 HG1 ARG 13 0.538 4.096 2.876
102 1HD ARG 13 HD2 ARG 13 3.155 5.125 1.807
103 2HD ARG 13 HD1 ARG 13 1.637 5.866 1.263
104 HE ARG 13 HE ARG 13 1.295 5.700 3.991
105 1HH1 ARG 13 HH11 ARG 13 3.144 7.445 1.726
106 2HH1 ARG 13 HH12 ARG 13 3.921 8.449 2.903
107 1HH2 ARG 13 HH21 ARG 13 2.565 6.773 5.619
108 2HH2 ARG 13 HH22 ARG 13 3.594 8.069 5.107
109 H SER 14 HN SER 14 3.023 0.177 3.017
110 HA SER 14 HA SER 14 5.485 0.006 4.454
111 1HB SER 14 HB2 SER 14 3.090 -1.402 4.177
112 2HB SER 14 HB1 SER 14 4.316 -2.547 3.640
113 HG SER 14 HG SER 14 3.963 -2.589 5.921
114 H PHE 15 HN PHE 15 4.507 -1.456 1.333
115 HA PHE 15 HA PHE 15 6.938 -2.837 0.793
116 1HB PHE 15 HB2 PHE 15 4.864 -3.225 -0.416
117 2HB PHE 15 HB1 PHE 15 4.848 -1.559 -0.996
118 HD1 PHE 15 HD1 PHE 15 6.299 -4.890 -1.417
119 HD2 PHE 15 HD2 PHE 15 6.516 -0.783 -2.658
120 HE1 PHE 15 HE1 PHE 15 7.678 -5.553 -3.369
121 HE2 PHE 15 HE2 PHE 15 7.895 -1.445 -4.609
122 HZ PHE 15 HZ PHE 15 8.476 -3.830 -4.965
123 H THR 16 HN THR 16 5.880 0.414 -0.291
124 HA THR 16 HA THR 16 8.260 1.117 -1.685
125 HB THR 16 HB THR 16 6.195 2.750 -0.175
126 HG1 THR 16 HG1 THR 16 5.334 2.974 -2.260
127 1HG2 THR 16 HG21 THR 16 7.114 4.397 -2.122
128 2HG2 THR 16 HG22 THR 16 8.596 3.521 -1.733
129 3HG2 THR 16 HG23 THR 16 7.738 4.407 -0.472
130 H GLN 17 HN GLN 17 7.289 1.939 1.673
131 HA GLN 17 HA GLN 17 9.731 3.225 2.404
132 1HB GLN 17 HB2 GLN 17 7.559 3.364 3.598
133 2HB GLN 17 HB1 GLN 17 7.726 1.674 4.076
134 1HG GLN 17 HG2 GLN 17 10.109 3.238 4.714
135 2HG GLN 17 HG1 GLN 17 8.664 3.870 5.506
136 1HE2 GLN 17 HE21 GLN 17 10.730 2.593 7.021
137 2HE2 GLN 17 HE22 GLN 17 10.121 1.132 7.635
138 H ALA 18 HN ALA 18 8.661 -0.166 2.792
139 HA ALA 18 HA ALA 18 10.917 -1.148 4.208
140 1HB ALA 18 HB1 ALA 18 10.153 -3.294 2.837
141 2HB ALA 18 HB2 ALA 18 8.816 -2.241 2.369
142 3HB ALA 18 HB3 ALA 18 9.103 -2.600 4.072
143 H LEU 19 HN LEU 19 10.310 -1.174 0.670
144 HA LEU 19 HA LEU 19 12.763 -2.299 -0.159
145 1HB LEU 19 HB2 LEU 19 10.481 -1.296 -1.302
146 2HB LEU 19 HB1 LEU 19 11.673 -0.095 -1.798
147 HG LEU 19 HG LEU 19 12.356 -3.001 -2.061
148 1HD1 LEU 19 HD11 LEU 19 10.307 -1.493 -3.622
149 2HD1 LEU 19 HD12 LEU 19 10.402 -3.217 -3.264
150 3HD1 LEU 19 HD13 LEU 19 11.418 -2.522 -4.527
151 1HD2 LEU 19 HD21 LEU 19 13.149 -1.519 -4.297
152 2HD2 LEU 19 HD22 LEU 19 14.169 -1.965 -2.929
153 3HD2 LEU 19 HD23 LEU 19 13.349 -0.404 -2.944
154 H GLY 20 HN GLY 20 11.945 1.177 0.195
155 1HA GLY 20 HA2 GLY 20 13.416 2.883 1.004
156 2HA GLY 20 HA1 GLY 20 14.755 1.735 0.915
157 H LYS 21 HN LYS 21 13.125 1.405 -1.954
158 HA LYS 21 HA LYS 21 13.652 2.097 -4.150
159 1HB LYS 21 HB2 LYS 21 13.040 4.301 -2.497
160 2HB LYS 21 HB1 LYS 21 14.441 4.797 -3.446
161 1HG LYS 21 HG2 LYS 21 12.905 5.284 -5.051
162 2HG LYS 21 HG1 LYS 21 12.923 3.546 -5.349
163 1HD LYS 21 HD2 LYS 21 10.738 3.493 -4.815
164 2HD LYS 21 HD1 LYS 21 11.184 3.921 -3.163
165 1HE LYS 21 HE2 LYS 21 11.313 6.330 -4.654
166 2HE LYS 21 HE1 LYS 21 9.791 5.535 -5.104
167 1HZ LYS 21 HZ1 LYS 21 9.595 6.862 -3.047
168 2HZ LYS 21 HZ2 LYS 21 10.761 5.866 -2.314
169 3HZ LYS 21 HZ3 LYS 21 9.267 5.216 -2.796
170 1HN NH2 22 1HN NH2 22 15.936 1.304 -2.124
171 2HN NH2 22 2HN NH2 22 17.345 1.847 -2.899
Start of MODEL 33
1 1H SER 1 1H SER 1 -9.774 -10.462 -7.944
2 2H SER 1 2H SER 1 -8.486 -11.523 -7.624
3 3H SER 1 3H SER 1 -8.175 -9.944 -8.165
4 HA SER 1 HA SER 1 -9.594 -10.457 -5.612
5 1HB SER 1 HB2 SER 1 -7.569 -10.831 -4.561
6 2HB SER 1 HB1 SER 1 -7.176 -11.505 -6.141
7 HG SER 1 HG SER 1 -5.682 -10.036 -6.195
8 H GLY 2 HN GLY 2 -10.535 -8.488 -5.217
9 1HA GLY 2 HA2 GLY 2 -9.405 -6.035 -6.384
10 2HA GLY 2 HA1 GLY 2 -10.900 -6.147 -5.455
11 H SER 3 HN SER 3 -9.310 -4.073 -4.793
12 HA SER 3 HA SER 3 -8.154 -4.926 -2.165
13 1HB SER 3 HB2 SER 3 -6.875 -2.669 -3.599
14 2HB SER 3 HB1 SER 3 -6.134 -3.978 -2.682
15 HG SER 3 HG SER 3 -7.217 -4.086 -5.307
16 H LEU 4 HN LEU 4 -7.440 -2.366 -1.287
17 HA LEU 4 HA LEU 4 -9.720 -0.537 -1.650
18 1HB LEU 4 HB2 LEU 4 -9.983 -2.601 0.135
19 2HB LEU 4 HB1 LEU 4 -9.326 -1.332 1.170
20 HG LEU 4 HG LEU 4 -11.450 -0.432 -0.670
21 1HD1 LEU 4 HD11 LEU 4 -13.224 -1.389 0.877
22 2HD1 LEU 4 HD12 LEU 4 -11.975 -2.454 1.521
23 3HD1 LEU 4 HD13 LEU 4 -12.438 -2.566 -0.176
24 1HD2 LEU 4 HD21 LEU 4 -10.465 0.023 2.100
25 2HD2 LEU 4 HD22 LEU 4 -12.184 0.308 1.825
26 3HD2 LEU 4 HD23 LEU 4 -10.982 1.192 0.885
27 H SER 5 HN SER 5 -9.374 1.486 -0.371
28 HA SER 5 HA SER 5 -6.888 2.667 -0.585
29 1HB SER 5 HB2 SER 5 -9.016 3.770 0.051
30 2HB SER 5 HB1 SER 5 -8.919 3.025 1.645
31 HG SER 5 HG SER 5 -7.061 4.834 0.479
32 H THR 6 HN THR 6 -8.041 1.644 2.643
33 HA THR 6 HA THR 6 -5.619 1.667 4.009
34 HB THR 6 HB THR 6 -7.371 -0.658 4.546
35 HG1 THR 6 HG1 THR 6 -9.102 0.411 4.047
36 1HG2 THR 6 HG21 THR 6 -6.570 -0.177 6.587
37 2HG2 THR 6 HG22 THR 6 -7.445 1.354 6.554
38 3HG2 THR 6 HG23 THR 6 -5.789 1.272 5.953
39 H PHE 7 HN PHE 7 -7.019 -1.320 2.589
40 HA PHE 7 HA PHE 7 -4.762 -2.978 2.873
41 1HB PHE 7 HB2 PHE 7 -7.249 -3.298 2.000
42 2HB PHE 7 HB1 PHE 7 -6.485 -3.114 0.422
43 HD1 PHE 7 HD1 PHE 7 -6.213 -5.210 -0.567
44 HD2 PHE 7 HD2 PHE 7 -5.367 -4.735 3.617
45 HE1 PHE 7 HE1 PHE 7 -5.422 -7.558 -0.460
46 HE2 PHE 7 HE2 PHE 7 -4.576 -7.082 3.724
47 HZ PHE 7 HZ PHE 7 -4.603 -8.494 1.685
48 H PHE 8 HN PHE 8 -5.722 -1.533 -0.262
49 HA PHE 8 HA PHE 8 -3.347 -1.940 -1.668
50 1HB PHE 8 HB2 PHE 8 -5.451 -1.068 -2.600
51 2HB PHE 8 HB1 PHE 8 -5.235 0.439 -1.711
52 HD1 PHE 8 HD1 PHE 8 -4.458 -1.364 -4.723
53 HD2 PHE 8 HD2 PHE 8 -3.118 1.820 -2.171
54 HE1 PHE 8 HE1 PHE 8 -3.069 -0.467 -6.571
55 HE2 PHE 8 HE2 PHE 8 -1.728 2.717 -4.019
56 HZ PHE 8 HZ PHE 8 -1.703 1.572 -6.219
57 H ARG 9 HN ARG 9 -4.184 1.120 0.017
58 HA ARG 9 HA ARG 9 -1.706 2.421 -0.237
59 1HB ARG 9 HB2 ARG 9 -4.038 3.089 0.772
60 2HB ARG 9 HB1 ARG 9 -3.334 2.540 2.293
61 1HG ARG 9 HG2 ARG 9 -1.345 4.121 1.088
62 2HG ARG 9 HG1 ARG 9 -2.853 5.007 0.849
63 1HD ARG 9 HD2 ARG 9 -3.338 4.936 3.236
64 2HD ARG 9 HD1 ARG 9 -1.923 3.903 3.526
65 HE ARG 9 HE ARG 9 -0.543 5.830 2.600
66 1HH1 ARG 9 HH11 ARG 9 -2.518 6.200 5.152
67 2HH1 ARG 9 HH12 ARG 9 -2.794 7.902 4.984
68 1HH2 ARG 9 HH21 ARG 9 -1.406 8.082 1.811
69 2HH2 ARG 9 HH22 ARG 9 -2.165 8.968 3.092
70 H LEU 10 HN LEU 10 -2.784 0.298 2.445
71 HA LEU 10 HA LEU 10 -0.476 0.380 4.049
72 1HB LEU 10 HB2 LEU 10 -2.689 -0.723 4.506
73 2HB LEU 10 HB1 LEU 10 -2.213 -2.027 3.417
74 HG LEU 10 HG LEU 10 -0.074 -1.558 5.267
75 1HD1 LEU 10 HD11 LEU 10 -1.773 -2.545 7.179
76 2HD1 LEU 10 HD12 LEU 10 -2.798 -1.351 6.382
77 3HD1 LEU 10 HD13 LEU 10 -1.256 -0.862 7.083
78 1HD2 LEU 10 HD21 LEU 10 -1.814 -3.731 4.296
79 2HD2 LEU 10 HD22 LEU 10 -1.214 -3.971 5.936
80 3HD2 LEU 10 HD23 LEU 10 -0.077 -3.735 4.608
81 H PHE 11 HN PHE 11 -1.194 -1.975 1.437
82 HA PHE 11 HA PHE 11 1.289 -3.356 1.508
83 1HB PHE 11 HB2 PHE 11 -1.082 -3.499 0.151
84 2HB PHE 11 HB1 PHE 11 0.000 -2.938 -1.124
85 HD1 PHE 11 HD1 PHE 11 0.897 -4.641 -2.422
86 HD2 PHE 11 HD2 PHE 11 0.236 -5.332 1.765
87 HE1 PHE 11 HE1 PHE 11 1.817 -6.933 -2.655
88 HE2 PHE 11 HE2 PHE 11 1.156 -7.623 1.532
89 HZ PHE 11 HZ PHE 11 1.946 -8.424 -0.678
90 H ASN 12 HN ASN 12 0.281 -0.667 -0.646
91 HA ASN 12 HA ASN 12 2.724 -0.318 -2.023
92 1HB ASN 12 HB2 ASN 12 0.580 0.743 -2.598
93 2HB ASN 12 HB1 ASN 12 0.646 1.704 -1.119
94 1HD2 ASN 12 HD21 ASN 12 3.457 0.994 -3.202
95 2HD2 ASN 12 HD22 ASN 12 3.717 2.602 -3.678
96 H ARG 13 HN ARG 13 1.592 1.485 0.870
97 HA ARG 13 HA ARG 13 3.926 2.989 1.356
98 1HB ARG 13 HB2 ARG 13 1.811 3.332 2.510
99 2HB ARG 13 HB1 ARG 13 1.903 1.727 3.234
100 1HG ARG 13 HG2 ARG 13 4.249 3.472 3.708
101 2HG ARG 13 HG1 ARG 13 2.753 3.983 4.489
102 1HD ARG 13 HD2 ARG 13 3.845 1.156 4.684
103 2HD ARG 13 HD1 ARG 13 4.134 2.411 5.905
104 HE ARG 13 HE ARG 13 1.313 2.051 5.153
105 1HH1 ARG 13 HH11 ARG 13 2.761 -0.412 6.462
106 2HH1 ARG 13 HH12 ARG 13 2.249 -0.203 8.103
107 1HH2 ARG 13 HH21 ARG 13 1.138 3.046 7.623
108 2HH2 ARG 13 HH22 ARG 13 1.330 1.754 8.761
109 H SER 14 HN SER 14 3.060 -0.186 2.792
110 HA SER 14 HA SER 14 5.431 -0.639 4.251
111 1HB SER 14 HB2 SER 14 3.219 -2.199 3.062
112 2HB SER 14 HB1 SER 14 4.682 -3.127 3.383
113 HG SER 14 HG SER 14 2.839 -2.259 5.102
114 H PHE 15 HN PHE 15 4.714 -1.399 0.835
115 HA PHE 15 HA PHE 15 7.176 -2.729 0.239
116 1HB PHE 15 HB2 PHE 15 4.806 -1.741 -1.071
117 2HB PHE 15 HB1 PHE 15 6.221 -1.324 -2.038
118 HD1 PHE 15 HD1 PHE 15 3.913 -3.903 -1.203
119 HD2 PHE 15 HD2 PHE 15 7.985 -3.227 -2.391
120 HE1 PHE 15 HE1 PHE 15 4.076 -6.252 -1.982
121 HE2 PHE 15 HE2 PHE 15 8.148 -5.576 -3.169
122 HZ PHE 15 HZ PHE 15 6.193 -7.088 -2.965
123 H THR 16 HN THR 16 6.205 0.658 -0.454
124 HA THR 16 HA THR 16 8.797 1.509 -1.338
125 HB THR 16 HB THR 16 6.946 3.424 -0.008
126 HG1 THR 16 HG1 THR 16 5.305 2.388 -0.828
127 1HG2 THR 16 HG21 THR 16 7.215 4.130 -2.637
128 2HG2 THR 16 HG22 THR 16 8.717 3.247 -2.360
129 3HG2 THR 16 HG23 THR 16 8.313 4.639 -1.354
130 H GLN 17 HN GLN 17 7.213 1.574 1.853
131 HA GLN 17 HA GLN 17 9.224 3.087 3.226
132 1HB GLN 17 HB2 GLN 17 7.036 1.151 3.930
133 2HB GLN 17 HB1 GLN 17 8.144 1.692 5.191
134 1HG GLN 17 HG2 GLN 17 7.000 3.792 3.416
135 2HG GLN 17 HG1 GLN 17 5.905 3.046 4.582
136 1HE2 GLN 17 HE21 GLN 17 5.785 4.643 6.211
137 2HE2 GLN 17 HE22 GLN 17 7.135 5.271 7.022
138 H ALA 18 HN ALA 18 8.735 -0.449 2.922
139 HA ALA 18 HA ALA 18 11.093 -1.164 4.428
140 1HB ALA 18 HB1 ALA 18 10.539 -3.380 3.677
141 2HB ALA 18 HB2 ALA 18 9.678 -2.754 2.272
142 3HB ALA 18 HB3 ALA 18 9.007 -2.533 3.887
143 H LEU 19 HN LEU 19 10.442 -1.275 0.897
144 HA LEU 19 HA LEU 19 13.044 -1.957 0.038
145 1HB LEU 19 HB2 LEU 19 11.215 -2.002 -1.487
146 2HB LEU 19 HB1 LEU 19 10.787 -0.326 -1.139
147 HG LEU 19 HG LEU 19 13.543 -0.636 -2.095
148 1HD1 LEU 19 HD11 LEU 19 11.381 -1.067 -4.148
149 2HD1 LEU 19 HD12 LEU 19 12.125 -2.443 -3.333
150 3HD1 LEU 19 HD13 LEU 19 13.116 -1.347 -4.296
151 1HD2 LEU 19 HD21 LEU 19 11.176 1.134 -2.433
152 2HD2 LEU 19 HD22 LEU 19 12.300 1.071 -3.790
153 3HD2 LEU 19 HD23 LEU 19 12.872 1.557 -2.194
154 H GLY 20 HN GLY 20 11.886 1.012 1.401
155 1HA GLY 20 HA2 GLY 20 14.022 2.668 0.258
156 2HA GLY 20 HA1 GLY 20 12.852 3.180 1.477
157 H LYS 21 HN LYS 21 14.036 0.277 2.559
158 HA LYS 21 HA LYS 21 15.643 1.552 4.630
159 1HB LYS 21 HB2 LYS 21 14.763 -1.214 3.854
160 2HB LYS 21 HB1 LYS 21 16.015 -1.022 5.082
161 1HG LYS 21 HG2 LYS 21 13.290 0.307 5.165
162 2HG LYS 21 HG1 LYS 21 13.738 -1.133 6.078
163 1HD LYS 21 HD2 LYS 21 14.363 0.326 7.700
164 2HD LYS 21 HD1 LYS 21 15.789 0.592 6.696
165 1HE LYS 21 HE2 LYS 21 15.035 2.788 6.916
166 2HE LYS 21 HE1 LYS 21 14.133 2.308 5.465
167 1HZ LYS 21 HZ1 LYS 21 12.526 1.336 7.299
168 2HZ LYS 21 HZ2 LYS 21 12.395 2.943 6.762
169 3HZ LYS 21 HZ3 LYS 21 13.196 2.594 8.220
170 1HN NH2 22 1HN NH2 22 16.358 0.447 1.448
171 2HN NH2 22 2HN NH2 22 18.042 0.307 1.619
Start of MODEL 34
1 1H SER 1 1H SER 1 -13.519 -8.654 -0.451
2 2H SER 1 2H SER 1 -12.249 -9.292 0.480
3 3H SER 1 3H SER 1 -12.184 -9.369 -1.216
4 HA SER 1 HA SER 1 -12.403 -6.749 -0.958
5 1HB SER 1 HB2 SER 1 -12.511 -7.405 1.587
6 2HB SER 1 HB1 SER 1 -10.760 -7.530 1.439
7 HG SER 1 HG SER 1 -12.445 -5.297 1.100
8 H GLY 2 HN GLY 2 -9.696 -6.077 -0.072
9 1HA GLY 2 HA2 GLY 2 -7.403 -6.545 -0.626
10 2HA GLY 2 HA1 GLY 2 -7.949 -7.862 -1.665
11 H SER 3 HN SER 3 -8.398 -4.310 -1.459
12 HA SER 3 HA SER 3 -7.286 -3.858 -4.094
13 1HB SER 3 HB2 SER 3 -9.555 -3.241 -5.095
14 2HB SER 3 HB1 SER 3 -9.282 -4.964 -4.843
15 HG SER 3 HG SER 3 -10.473 -4.816 -2.931
16 H LEU 4 HN LEU 4 -6.552 -1.775 -3.954
17 HA LEU 4 HA LEU 4 -6.304 0.426 -3.100
18 1HB LEU 4 HB2 LEU 4 -9.318 0.323 -3.419
19 2HB LEU 4 HB1 LEU 4 -8.272 1.732 -3.607
20 HG LEU 4 HG LEU 4 -8.148 -0.749 -5.346
21 1HD1 LEU 4 HD11 LEU 4 -8.895 1.300 -6.979
22 2HD1 LEU 4 HD12 LEU 4 -9.725 1.754 -5.490
23 3HD1 LEU 4 HD13 LEU 4 -10.035 0.183 -6.229
24 1HD2 LEU 4 HD21 LEU 4 -6.669 1.881 -5.280
25 2HD2 LEU 4 HD22 LEU 4 -6.811 0.959 -6.777
26 3HD2 LEU 4 HD23 LEU 4 -6.007 0.250 -5.377
27 H SER 5 HN SER 5 -8.550 1.774 -1.643
28 HA SER 5 HA SER 5 -9.147 2.146 0.614
29 1HB SER 5 HB2 SER 5 -9.406 -0.754 0.010
30 2HB SER 5 HB1 SER 5 -9.460 -0.310 1.714
31 HG SER 5 HG SER 5 -11.267 0.145 -0.303
32 H THR 6 HN THR 6 -8.469 1.243 2.978
33 HA THR 6 HA THR 6 -5.821 1.938 3.508
34 HB THR 6 HB THR 6 -6.354 0.135 5.472
35 HG1 THR 6 HG1 THR 6 -8.176 -0.660 4.397
36 1HG2 THR 6 HG21 THR 6 -6.942 2.942 4.945
37 2HG2 THR 6 HG22 THR 6 -6.363 2.178 6.425
38 3HG2 THR 6 HG23 THR 6 -8.091 2.225 6.074
39 H PHE 7 HN PHE 7 -7.081 -1.388 3.040
40 HA PHE 7 HA PHE 7 -4.815 -2.930 3.376
41 1HB PHE 7 HB2 PHE 7 -7.216 -2.960 1.640
42 2HB PHE 7 HB1 PHE 7 -5.903 -4.015 1.116
43 HD1 PHE 7 HD1 PHE 7 -6.565 -3.066 4.635
44 HD2 PHE 7 HD2 PHE 7 -6.928 -6.131 1.647
45 HE1 PHE 7 HE1 PHE 7 -7.180 -4.705 6.391
46 HE2 PHE 7 HE2 PHE 7 -7.542 -7.770 3.404
47 HZ PHE 7 HZ PHE 7 -7.668 -7.058 5.775
48 H PHE 8 HN PHE 8 -5.722 -1.637 0.153
49 HA PHE 8 HA PHE 8 -3.231 -2.153 -1.108
50 1HB PHE 8 HB2 PHE 8 -5.446 -1.553 -2.147
51 2HB PHE 8 HB1 PHE 8 -5.183 0.113 -1.630
52 HD1 PHE 8 HD1 PHE 8 -3.046 -2.554 -3.195
53 HD2 PHE 8 HD2 PHE 8 -4.480 1.491 -3.365
54 HE1 PHE 8 HE1 PHE 8 -1.658 -2.147 -5.210
55 HE2 PHE 8 HE2 PHE 8 -3.092 1.900 -5.378
56 HZ PHE 8 HZ PHE 8 -1.681 0.080 -6.301
57 H ARG 9 HN ARG 9 -4.408 0.823 0.501
58 HA ARG 9 HA ARG 9 -2.140 2.463 0.032
59 1HB ARG 9 HB2 ARG 9 -4.570 2.498 1.466
60 2HB ARG 9 HB1 ARG 9 -3.315 2.848 2.655
61 1HG ARG 9 HG2 ARG 9 -3.625 4.271 -0.006
62 2HG ARG 9 HG1 ARG 9 -4.152 4.914 1.550
63 1HD ARG 9 HD2 ARG 9 -1.308 3.990 1.300
64 2HD ARG 9 HD1 ARG 9 -1.759 5.556 0.595
65 HE ARG 9 HE ARG 9 -2.561 6.252 2.821
66 1HH1 ARG 9 HH11 ARG 9 0.032 4.133 2.600
67 2HH1 ARG 9 HH12 ARG 9 0.057 3.710 4.280
68 1HH2 ARG 9 HH21 ARG 9 -2.910 5.347 5.010
69 2HH2 ARG 9 HH22 ARG 9 -1.608 4.398 5.645
70 H LEU 10 HN LEU 10 -2.853 0.348 2.839
71 HA LEU 10 HA LEU 10 -0.432 0.817 4.266
72 1HB LEU 10 HB2 LEU 10 -2.767 -0.732 4.459
73 2HB LEU 10 HB1 LEU 10 -1.448 -1.902 4.477
74 HG LEU 10 HG LEU 10 -1.813 -1.248 6.758
75 1HD1 LEU 10 HD11 LEU 10 0.394 -1.008 7.160
76 2HD1 LEU 10 HD12 LEU 10 0.413 0.600 6.436
77 3HD1 LEU 10 HD13 LEU 10 0.609 -0.828 5.419
78 1HD2 LEU 10 HD21 LEU 10 -2.840 0.735 7.105
79 2HD2 LEU 10 HD22 LEU 10 -2.378 1.319 5.507
80 3HD2 LEU 10 HD23 LEU 10 -1.270 1.502 6.866
81 H PHE 11 HN PHE 11 -1.257 -1.845 2.005
82 HA PHE 11 HA PHE 11 1.224 -3.189 2.013
83 1HB PHE 11 HB2 PHE 11 -1.219 -3.099 0.519
84 2HB PHE 11 HB1 PHE 11 0.121 -3.157 -0.626
85 HD1 PHE 11 HD1 PHE 11 2.142 -4.673 0.930
86 HD2 PHE 11 HD2 PHE 11 -2.085 -5.300 0.500
87 HE1 PHE 11 HE1 PHE 11 2.451 -7.086 1.412
88 HE2 PHE 11 HE2 PHE 11 -1.776 -7.714 0.982
89 HZ PHE 11 HZ PHE 11 0.492 -8.606 1.438
90 H ASN 12 HN ASN 12 0.151 -0.500 -0.094
91 HA ASN 12 HA ASN 12 2.540 -0.268 -1.634
92 1HB ASN 12 HB2 ASN 12 0.178 1.403 -0.901
93 2HB ASN 12 HB1 ASN 12 1.557 2.239 -1.617
94 1HD2 ASN 12 HD21 ASN 12 -0.054 2.551 -3.491
95 2HD2 ASN 12 HD22 ASN 12 -0.175 1.306 -4.638
96 H ARG 13 HN ARG 13 1.514 1.568 1.275
97 HA ARG 13 HA ARG 13 3.817 3.158 1.611
98 1HB ARG 13 HB2 ARG 13 1.519 3.021 2.845
99 2HB ARG 13 HB1 ARG 13 2.340 1.872 3.904
100 1HG ARG 13 HG2 ARG 13 4.186 3.682 4.094
101 2HG ARG 13 HG1 ARG 13 2.970 4.785 3.448
102 1HD ARG 13 HD2 ARG 13 1.834 3.147 5.565
103 2HD ARG 13 HD1 ARG 13 3.256 4.038 6.141
104 HE ARG 13 HE ARG 13 0.755 5.239 5.170
105 1HH1 ARG 13 HH11 ARG 13 3.364 5.743 7.123
106 2HH1 ARG 13 HH12 ARG 13 3.643 7.392 6.672
107 1HH2 ARG 13 HH21 ARG 13 1.432 7.314 4.002
108 2HH2 ARG 13 HH22 ARG 13 2.549 8.282 4.905
109 H SER 14 HN SER 14 3.150 -0.049 3.078
110 HA SER 14 HA SER 14 5.643 -0.390 4.388
111 1HB SER 14 HB2 SER 14 3.626 -1.770 4.719
112 2HB SER 14 HB1 SER 14 3.783 -2.405 3.083
113 HG SER 14 HG SER 14 4.929 -3.278 5.306
114 H PHE 15 HN PHE 15 4.639 -1.536 1.140
115 HA PHE 15 HA PHE 15 7.062 -2.741 0.345
116 1HB PHE 15 HB2 PHE 15 4.651 -1.558 -0.886
117 2HB PHE 15 HB1 PHE 15 6.054 -1.624 -1.953
118 HD1 PHE 15 HD1 PHE 15 6.794 -3.678 -2.887
119 HD2 PHE 15 HD2 PHE 15 3.903 -3.683 0.290
120 HE1 PHE 15 HE1 PHE 15 6.423 -6.106 -3.229
121 HE2 PHE 15 HE2 PHE 15 3.533 -6.110 -0.051
122 HZ PHE 15 HZ PHE 15 4.793 -7.323 -1.810
123 H THR 16 HN THR 16 6.046 0.673 0.030
124 HA THR 16 HA THR 16 8.396 1.591 -1.336
125 HB THR 16 HB THR 16 6.466 3.002 0.538
126 HG1 THR 16 HG1 THR 16 6.457 2.395 -2.216
127 1HG2 THR 16 HG21 THR 16 8.835 3.966 -0.509
128 2HG2 THR 16 HG22 THR 16 7.469 4.957 0.003
129 3HG2 THR 16 HG23 THR 16 7.639 4.498 -1.691
130 H GLN 17 HN GLN 17 7.522 1.622 2.140
131 HA GLN 17 HA GLN 17 9.881 2.853 3.128
132 1HB GLN 17 HB2 GLN 17 7.619 2.178 4.229
133 2HB GLN 17 HB1 GLN 17 8.403 0.627 4.528
134 1HG GLN 17 HG2 GLN 17 10.222 2.717 5.260
135 2HG GLN 17 HG1 GLN 17 8.666 3.033 6.030
136 1HE2 GLN 17 HE21 GLN 17 7.973 1.596 7.704
137 2HE2 GLN 17 HE22 GLN 17 8.923 0.306 8.266
138 H ALA 18 HN ALA 18 9.155 -0.615 2.624
139 HA ALA 18 HA ALA 18 11.689 -1.595 3.565
140 1HB ALA 18 HB1 ALA 18 10.869 -3.553 1.983
141 2HB ALA 18 HB2 ALA 18 9.401 -2.580 1.890
142 3HB ALA 18 HB3 ALA 18 9.970 -3.171 3.452
143 H LEU 19 HN LEU 19 10.469 -1.011 0.243
144 HA LEU 19 HA LEU 19 12.762 -1.750 -1.212
145 1HB LEU 19 HB2 LEU 19 10.316 -0.252 -1.551
146 2HB LEU 19 HB1 LEU 19 11.628 0.551 -2.415
147 HG LEU 19 HG LEU 19 11.227 -2.426 -2.643
148 1HD1 LEU 19 HD11 LEU 19 9.898 -0.250 -4.286
149 2HD1 LEU 19 HD12 LEU 19 9.083 -1.428 -3.257
150 3HD1 LEU 19 HD13 LEU 19 9.920 -1.960 -4.716
151 1HD2 LEU 19 HD21 LEU 19 12.094 -1.009 -5.004
152 2HD2 LEU 19 HD22 LEU 19 12.956 -2.237 -4.078
153 3HD2 LEU 19 HD23 LEU 19 13.092 -0.536 -3.630
154 H GLY 20 HN GLY 20 11.993 1.406 0.283
155 1HA GLY 20 HA2 GLY 20 13.518 3.027 1.098
156 2HA GLY 20 HA1 GLY 20 14.848 2.000 0.555
157 H LYS 21 HN LYS 21 12.778 2.200 -2.029
158 HA LYS 21 HA LYS 21 12.812 3.465 -4.025
159 1HB LYS 21 HB2 LYS 21 12.798 5.215 -1.836
160 2HB LYS 21 HB1 LYS 21 14.079 5.828 -2.883
161 1HG LYS 21 HG2 LYS 21 11.254 5.189 -3.782
162 2HG LYS 21 HG1 LYS 21 11.872 6.809 -3.460
163 1HD LYS 21 HD2 LYS 21 13.678 6.346 -5.182
164 2HD LYS 21 HD1 LYS 21 12.789 4.884 -5.609
165 1HE LYS 21 HE2 LYS 21 10.991 7.165 -5.496
166 2HE LYS 21 HE1 LYS 21 12.324 7.460 -6.630
167 1HZ LYS 21 HZ1 LYS 21 10.644 5.008 -6.525
168 2HZ LYS 21 HZ2 LYS 21 11.946 5.268 -7.587
169 3HZ LYS 21 HZ3 LYS 21 10.544 6.221 -7.706
170 1HN NH2 22 1HN NH2 22 14.939 1.731 -3.920
171 2HN NH2 22 2HN NH2 22 16.380 2.478 -4.413