Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
21724 | 2i2h RC | 15069 | 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 -12.894 3.586 3.150
2 2H SER 1 2H SER 1 -13.090 3.804 3.140
3 3H SER 1 3H SER 1 -13.008 3.596 3.141
4 HA SER 1 HA SER 1 -12.930 3.457 3.248
5 1HB SER 1 HB2 SER 1 -13.470 3.581 3.179
6 2HB SER 1 HB1 SER 1 -13.443 3.676 3.177
7 HG SER 1 HG SER 1 -13.640 3.777 3.146
8 H GLY 2 HN GLY 2 -12.165 2.963 2.963
9 1HA GLY 2 HA2 GLY 2 -12.134 2.572 2.558
10 2HA GLY 2 HA1 GLY 2 -11.838 2.682 2.420
11 H THR 3 HN THR 3 -10.791 1.883 2.983
12 HA THR 3 HA THR 3 -9.417 2.478 2.795
13 HB THR 3 HB THR 3 -9.373 1.767 3.872
14 HG1 THR 3 HG1 THR 3 -10.789 2.203 4.332
15 1HG2 THR 3 HG21 THR 3 -10.097 2.854 3.994
16 2HG2 THR 3 HG22 THR 3 -9.982 2.669 4.111
17 3HG2 THR 3 HG23 THR 3 -10.252 2.752 4.083
18 H LEU 4 HN LEU 4 -9.422 0.854 2.313
19 HA LEU 4 HA LEU 4 -7.360 -0.754 1.992
20 1HB LEU 4 HB2 LEU 4 -9.517 -0.926 0.618
21 2HB LEU 4 HB1 LEU 4 -8.571 -1.009 -0.295
22 HG LEU 4 HG LEU 4 -8.160 -2.071 1.209
23 1HD1 LEU 4 HD11 LEU 4 -9.316 -2.782 1.234
24 2HD1 LEU 4 HD12 LEU 4 -9.388 -2.812 1.187
25 3HD1 LEU 4 HD13 LEU 4 -9.232 -2.731 1.280
26 1HD2 LEU 4 HD21 LEU 4 -8.689 -2.809 0.085
27 2HD2 LEU 4 HD22 LEU 4 -8.668 -3.066 0.167
28 3HD2 LEU 4 HD23 LEU 4 -8.491 -2.839 0.171
29 H SER 5 HN SER 5 -8.284 1.943 -0.014
30 HA SER 5 HA SER 5 -6.267 1.927 -1.962
31 1HB SER 5 HB2 SER 5 -7.343 4.202 -0.977
32 2HB SER 5 HB1 SER 5 -7.145 4.119 -1.853
33 HG SER 5 HG SER 5 -8.305 3.958 -1.833
34 H THR 6 HN THR 6 -6.147 3.903 1.026
35 HA THR 6 HA THR 6 -3.457 4.667 0.911
36 HB THR 6 HB THR 6 -3.913 4.309 3.581
37 HG1 THR 6 HG1 THR 6 -6.166 4.449 3.492
38 1HG2 THR 6 HG21 THR 6 -4.509 6.487 2.579
39 2HG2 THR 6 HG22 THR 6 -4.466 6.478 2.586
40 3HG2 THR 6 HG23 THR 6 -4.493 6.481 2.622
41 H PHE 7 HN PHE 7 -4.676 1.935 2.897
42 HA PHE 7 HA PHE 7 -2.317 0.754 3.697
43 1HB PHE 7 HB2 PHE 7 -5.004 -0.124 3.074
44 2HB PHE 7 HB1 PHE 7 -3.912 -1.351 2.939
45 HD1 PHE 7 HD1 PHE 7 -3.313 -2.049 4.748
46 HD2 PHE 7 HD2 PHE 7 -4.798 0.865 5.081
47 HE1 PHE 7 HE1 PHE 7 -3.282 -2.283 7.070
48 HE2 PHE 7 HE2 PHE 7 -4.767 0.632 7.403
49 HZ PHE 7 HZ PHE 7 -4.009 -0.942 8.398
50 H PHE 8 HN PHE 8 -3.839 0.415 0.491
51 HA PHE 8 HA PHE 8 -1.871 -1.408 -0.575
52 1HB PHE 8 HB2 PHE 8 -4.212 -0.403 -1.408
53 2HB PHE 8 HB1 PHE 8 -3.318 0.287 -2.354
54 HD1 PHE 8 HD1 PHE 8 -3.593 -0.732 -3.428
55 HD2 PHE 8 HD2 PHE 8 -3.076 -2.461 -1.766
56 HE1 PHE 8 HE1 PHE 8 -3.546 -2.465 -4.650
57 HE2 PHE 8 HE2 PHE 8 -3.030 -4.194 -2.989
58 HZ PHE 8 HZ PHE 8 -3.265 -4.195 -4.431
59 H ARG 9 HN ARG 9 -2.141 2.120 -0.418
60 HA ARG 9 HA ARG 9 -0.009 2.717 -2.268
61 1HB ARG 9 HB2 ARG 9 -1.788 4.167 -0.958
62 2HB ARG 9 HB1 ARG 9 -0.660 4.512 -0.142
63 1HG ARG 9 HG2 ARG 9 -0.090 5.144 -1.789
64 2HG ARG 9 HG1 ARG 9 -0.569 5.007 -2.218
65 1HD ARG 9 HD2 ARG 9 -0.910 5.988 -2.081
66 2HD ARG 9 HD1 ARG 9 -0.860 6.040 -1.972
67 HE ARG 9 HE ARG 9 -0.814 6.580 -2.339
68 1HH1 ARG 9 HH11 ARG 9 -1.373 6.680 -3.323
69 2HH1 ARG 9 HH12 ARG 9 -1.291 7.652 -3.307
70 1HH2 ARG 9 HH21 ARG 9 -0.531 7.905 -1.912
71 2HH2 ARG 9 HH22 ARG 9 -0.815 8.345 -2.508
72 H LEU 10 HN LEU 10 -0.121 2.472 1.299
73 HA LEU 10 HA LEU 10 2.691 2.994 1.691
74 1HB LEU 10 HB2 LEU 10 0.494 2.753 3.254
75 2HB LEU 10 HB1 LEU 10 1.259 1.416 3.646
76 HG LEU 10 HG LEU 10 2.710 3.197 3.908
77 1HD1 LEU 10 HD11 LEU 10 1.998 3.980 4.585
78 2HD1 LEU 10 HD12 LEU 10 2.178 3.935 4.540
79 3HD1 LEU 10 HD13 LEU 10 2.141 3.893 4.713
80 1HD2 LEU 10 HD21 LEU 10 2.563 2.687 4.992
81 2HD2 LEU 10 HD22 LEU 10 2.426 2.767 4.985
82 3HD2 LEU 10 HD23 LEU 10 2.459 2.781 4.911
83 H PHE 11 HN PHE 11 0.769 0.028 1.289
84 HA PHE 11 HA PHE 11 2.869 -1.838 1.894
85 1HB PHE 11 HB2 PHE 11 0.213 -1.920 1.210
86 2HB PHE 11 HB1 PHE 11 0.894 -2.684 0.002
87 HD1 PHE 11 HD1 PHE 11 0.352 -2.931 3.016
88 HD2 PHE 11 HD2 PHE 11 1.939 -4.352 0.553
89 HE1 PHE 11 HE1 PHE 11 0.526 -4.786 4.285
90 HE2 PHE 11 HE2 PHE 11 2.113 -6.206 1.822
91 HZ PHE 11 HZ PHE 11 1.407 -6.423 3.688
92 H ASN 12 HN ASN 12 1.659 -0.560 -1.223
93 HA ASN 12 HA ASN 12 3.559 -1.945 -2.871
94 1HB ASN 12 HB2 ASN 12 1.381 -0.565 -3.359
95 2HB ASN 12 HB1 ASN 12 2.389 0.646 -3.608
96 1HD2 ASN 12 HD21 ASN 12 2.097 -0.695 -5.382
97 2HD2 ASN 12 HD22 ASN 12 2.552 -1.220 -6.468
98 H ARG 13 HN ARG 13 3.532 1.383 -1.559
99 HA ARG 13 HA ARG 13 5.994 2.250 -2.693
100 1HB ARG 13 HB2 ARG 13 4.224 3.448 -1.268
101 2HB ARG 13 HB1 ARG 13 5.033 3.173 -0.149
102 1HG ARG 13 HG2 ARG 13 6.142 4.256 -1.175
103 2HG ARG 13 HG1 ARG 13 5.792 4.435 -1.646
104 1HD ARG 13 HD2 ARG 13 5.577 5.311 -1.033
105 2HD ARG 13 HD1 ARG 13 5.624 5.152 -0.934
106 HE ARG 13 HE ARG 13 6.073 5.649 -1.065
107 1HH1 ARG 13 HH21 ARG 13 5.717 7.075 -0.474
108 2HH1 ARG 13 HH22 ARG 13 6.164 7.673 -0.648
109 1HH2 ARG 13 HH11 ARG 13 6.749 6.065 -1.507
110 2HH2 ARG 13 HH12 ARG 13 6.748 7.102 -1.232
111 H SER 14 HN SER 14 5.316 0.698 0.449
112 HA SER 14 HA SER 14 8.026 0.716 1.392
113 1HB SER 14 HB2 SER 14 6.056 -0.264 2.557
114 2HB SER 14 HB1 SER 14 6.208 -0.830 2.440
115 HG SER 14 HG SER 14 6.327 -0.591 3.300
116 H PHE 15 HN PHE 15 6.120 -1.694 -0.396
117 HA PHE 15 HA PHE 15 8.095 -3.766 -0.378
118 1HB PHE 15 HB2 PHE 15 5.603 -3.706 -1.070
119 2HB PHE 15 HB1 PHE 15 6.135 -3.398 -2.501
120 HD1 PHE 15 HD1 PHE 15 7.404 -5.095 -2.799
121 HD2 PHE 15 HD2 PHE 15 5.810 -5.400 -0.966
122 HE1 PHE 15 HE1 PHE 15 7.747 -7.269 -3.142
123 HE2 PHE 15 HE2 PHE 15 6.153 -7.573 -1.309
124 HZ PHE 15 HZ PHE 15 7.121 -8.508 -2.397
125 H THR 16 HN THR 16 7.468 -1.081 -2.596
126 HA THR 16 HA THR 16 9.285 -1.847 -4.642
127 HB THR 16 HB THR 16 8.483 0.696 -4.076
128 HG1 THR 16 HG1 THR 16 7.164 0.227 -4.751
129 1HG2 THR 16 HG21 THR 16 8.961 0.563 -5.647
130 2HG2 THR 16 HG22 THR 16 8.876 0.510 -5.761
131 3HG2 THR 16 HG23 THR 16 8.930 0.444 -5.740
132 H GLN 17 HN GLN 17 9.707 0.116 -1.877
133 HA GLN 17 HA GLN 17 12.344 0.551 -2.326
134 1HB GLN 17 HB2 GLN 17 10.946 1.646 -1.216
135 2HB GLN 17 HB1 GLN 17 11.617 1.206 -0.437
136 1HG GLN 17 HG2 GLN 17 12.611 1.912 -1.067
137 2HG GLN 17 HG1 GLN 17 12.302 2.339 -1.285
138 1HE2 GLN 17 HE21 GLN 17 12.734 3.103 -0.676
139 2HE2 GLN 17 HE22 GLN 17 12.868 3.648 -0.304
140 H ALA 18 HN ALA 18 11.083 -0.590 -0.253
141 HA ALA 18 HA ALA 18 12.626 -1.777 0.579
142 1HB ALA 18 HB1 ALA 18 12.612 -1.769 1.308
143 2HB ALA 18 HB2 ALA 18 12.623 -1.739 1.437
144 3HB ALA 18 HB3 ALA 18 12.593 -1.782 1.270
145 1HN NH2 19 1HN NH2 19 12.098 -1.975 0.607
146 2HN NH2 19 2HN NH2 19 12.013 -2.365 0.702
Start of MODEL 2
1 1H SER 1 1H SER 1 -15.769 -4.031 3.626
2 2H SER 1 2H SER 1 -16.222 -3.724 2.017
3 3H SER 1 3H SER 1 -17.330 -4.431 3.094
4 HA SER 1 HA SER 1 -17.599 -1.944 2.595
5 1HB SER 1 HB2 SER 1 -18.399 -3.598 4.528
6 2HB SER 1 HB1 SER 1 -17.347 -2.583 5.511
7 HG SER 1 HG SER 1 -18.534 -0.791 4.846
8 H GLY 2 HN GLY 2 -14.774 -2.136 2.237
9 1HA GLY 2 HA2 GLY 2 -13.893 0.074 4.036
10 2HA GLY 2 HA1 GLY 2 -12.834 -1.315 3.782
11 H THR 3 HN THR 3 -11.269 0.204 2.852
12 HA THR 3 HA THR 3 -11.936 0.890 0.008
13 HB THR 3 HB THR 3 -9.979 2.560 1.487
14 HG1 THR 3 HG1 THR 3 -11.337 3.296 2.915
15 1HG2 THR 3 HG21 THR 3 -10.664 3.099 -0.794
16 2HG2 THR 3 HG22 THR 3 -11.245 4.350 0.306
17 3HG2 THR 3 HG23 THR 3 -12.358 3.125 -0.304
18 H LEU 4 HN LEU 4 -9.209 0.512 2.310
19 HA LEU 4 HA LEU 4 -7.186 -0.703 2.054
20 1HB LEU 4 HB2 LEU 4 -9.072 -2.043 0.592
21 2HB LEU 4 HB1 LEU 4 -7.890 -1.654 -0.658
22 HG LEU 4 HG LEU 4 -6.279 -2.473 1.416
23 1HD1 LEU 4 HD11 LEU 4 -7.981 -3.294 2.843
24 2HD1 LEU 4 HD12 LEU 4 -7.390 -4.730 2.008
25 3HD1 LEU 4 HD13 LEU 4 -8.898 -3.972 1.497
26 1HD2 LEU 4 HD21 LEU 4 -5.965 -4.503 0.077
27 2HD2 LEU 4 HD22 LEU 4 -6.155 -3.112 -0.991
28 3HD2 LEU 4 HD23 LEU 4 -7.502 -4.223 -0.742
29 H SER 5 HN SER 5 -8.230 1.843 0.156
30 HA SER 5 HA SER 5 -6.329 2.019 -1.951
31 1HB SER 5 HB2 SER 5 -8.149 3.761 -0.418
32 2HB SER 5 HB1 SER 5 -6.782 4.608 -1.135
33 HG SER 5 HG SER 5 -8.528 2.827 -2.500
34 H THR 6 HN THR 6 -6.159 3.975 1.042
35 HA THR 6 HA THR 6 -3.468 4.727 0.870
36 HB THR 6 HB THR 6 -3.862 4.458 3.552
37 HG1 THR 6 HG1 THR 6 -5.797 3.731 3.836
38 1HG2 THR 6 HG21 THR 6 -3.510 6.601 2.609
39 2HG2 THR 6 HG22 THR 6 -5.121 6.694 3.321
40 3HG2 THR 6 HG23 THR 6 -4.937 6.473 1.581
41 H PHE 7 HN PHE 7 -4.656 2.049 2.950
42 HA PHE 7 HA PHE 7 -2.279 0.882 3.727
43 1HB PHE 7 HB2 PHE 7 -5.029 0.148 3.399
44 2HB PHE 7 HB1 PHE 7 -4.035 -1.204 2.855
45 HD1 PHE 7 HD1 PHE 7 -2.307 -2.181 4.384
46 HD2 PHE 7 HD2 PHE 7 -5.136 0.767 5.711
47 HE1 PHE 7 HE1 PHE 7 -1.815 -2.771 6.742
48 HE2 PHE 7 HE2 PHE 7 -4.644 0.177 8.069
49 HZ PHE 7 HZ PHE 7 -2.984 -1.592 8.585
50 H PHE 8 HN PHE 8 -3.883 0.475 0.568
51 HA PHE 8 HA PHE 8 -1.971 -1.397 -0.508
52 1HB PHE 8 HB2 PHE 8 -4.172 -1.176 -1.456
53 2HB PHE 8 HB1 PHE 8 -3.962 0.560 -1.688
54 HD1 PHE 8 HD1 PHE 8 -3.757 1.113 -3.939
55 HD2 PHE 8 HD2 PHE 8 -1.882 -2.467 -2.483
56 HE1 PHE 8 HE1 PHE 8 -2.801 0.698 -6.190
57 HE2 PHE 8 HE2 PHE 8 -0.927 -2.882 -4.734
58 HZ PHE 8 HZ PHE 8 -1.386 -1.299 -6.587
59 H ARG 9 HN ARG 9 -2.174 2.142 -0.417
60 HA ARG 9 HA ARG 9 -0.045 2.665 -2.292
61 1HB ARG 9 HB2 ARG 9 -1.153 4.241 0.058
62 2HB ARG 9 HB1 ARG 9 -0.143 4.914 -1.222
63 1HG ARG 9 HG2 ARG 9 -2.167 3.575 -2.597
64 2HG ARG 9 HG1 ARG 9 -3.001 4.335 -1.241
65 1HD ARG 9 HD2 ARG 9 -1.571 6.450 -1.909
66 2HD ARG 9 HD1 ARG 9 -1.470 5.631 -3.481
67 HE ARG 9 HE ARG 9 -4.174 5.577 -2.459
68 1HH1 ARG 9 HH21 ARG 9 -2.684 8.421 -2.528
69 2HH1 ARG 9 HH22 ARG 9 -3.435 9.060 -3.952
70 1HH2 ARG 9 HH11 ARG 9 -4.774 6.016 -4.934
71 2HH2 ARG 9 HH12 ARG 9 -4.618 7.699 -5.314
72 H LEU 10 HN LEU 10 -0.137 2.445 1.276
73 HA LEU 10 HA LEU 10 2.678 2.935 1.665
74 1HB LEU 10 HB2 LEU 10 1.053 3.256 3.431
75 2HB LEU 10 HB1 LEU 10 0.508 1.584 3.298
76 HG LEU 10 HG LEU 10 2.745 0.801 4.004
77 1HD1 LEU 10 HD11 LEU 10 4.431 2.376 4.750
78 2HD1 LEU 10 HD12 LEU 10 3.342 3.736 4.475
79 3HD1 LEU 10 HD13 LEU 10 3.962 2.812 3.107
80 1HD2 LEU 10 HD21 LEU 10 2.344 2.641 6.204
81 2HD2 LEU 10 HD22 LEU 10 1.994 0.914 6.128
82 3HD2 LEU 10 HD23 LEU 10 0.789 2.083 5.586
83 H PHE 11 HN PHE 11 0.739 -0.001 1.179
84 HA PHE 11 HA PHE 11 2.804 -1.906 1.792
85 1HB PHE 11 HB2 PHE 11 0.094 -1.813 0.916
86 2HB PHE 11 HB1 PHE 11 0.974 -2.835 -0.221
87 HD1 PHE 11 HD1 PHE 11 0.715 -2.228 3.476
88 HD2 PHE 11 HD2 PHE 11 1.271 -5.083 0.315
89 HE1 PHE 11 HE1 PHE 11 0.736 -4.067 5.140
90 HE2 PHE 11 HE2 PHE 11 1.292 -6.921 1.979
91 HZ PHE 11 HZ PHE 11 1.025 -6.413 4.391
92 H ASN 12 HN ASN 12 1.653 -0.590 -1.339
93 HA ASN 12 HA ASN 12 3.584 -1.943 -2.969
94 1HB ASN 12 HB2 ASN 12 1.496 0.060 -3.165
95 2HB ASN 12 HB1 ASN 12 2.874 0.507 -4.171
96 1HD2 ASN 12 HD21 ASN 12 1.187 -0.022 -5.959
97 2HD2 ASN 12 HD22 ASN 12 1.097 -1.636 -6.475
98 H ARG 13 HN ARG 13 3.556 1.376 -1.616
99 HA ARG 13 HA ARG 13 6.073 2.208 -2.671
100 1HB ARG 13 HB2 ARG 13 4.088 3.026 -0.676
101 2HB ARG 13 HB1 ARG 13 5.728 3.498 -0.230
102 1HG ARG 13 HG2 ARG 13 5.817 5.071 -1.847
103 2HG ARG 13 HG1 ARG 13 5.180 3.962 -3.061
104 1HD ARG 13 HD2 ARG 13 3.026 4.695 -2.780
105 2HD ARG 13 HD1 ARG 13 3.221 4.893 -1.027
106 HE ARG 13 HE ARG 13 4.497 6.985 -1.511
107 1HH1 ARG 13 HH11 ARG 13 4.501 5.939 -4.529
108 2HH1 ARG 13 HH12 ARG 13 3.553 7.202 -5.241
109 1HH2 ARG 13 HH21 ARG 13 2.460 8.456 -2.199
110 2HH2 ARG 13 HH22 ARG 13 2.397 8.627 -3.921
111 H SER 14 HN SER 14 5.238 0.610 0.412
112 HA SER 14 HA SER 14 7.858 0.642 1.559
113 1HB SER 14 HB2 SER 14 6.896 -0.955 3.083
114 2HB SER 14 HB1 SER 14 5.598 0.142 2.620
115 HG SER 14 HG SER 14 6.084 -2.516 1.844
116 H PHE 15 HN PHE 15 6.175 -1.890 -0.340
117 HA PHE 15 HA PHE 15 8.356 -3.754 -0.364
118 1HB PHE 15 HB2 PHE 15 5.710 -3.592 -1.216
119 2HB PHE 15 HB1 PHE 15 6.618 -3.751 -2.720
120 HD1 PHE 15 HD1 PHE 15 8.857 -5.423 -2.136
121 HD2 PHE 15 HD2 PHE 15 4.865 -5.668 -0.567
122 HE1 PHE 15 HE1 PHE 15 9.181 -7.840 -1.687
123 HE2 PHE 15 HE2 PHE 15 5.190 -8.085 -0.118
124 HZ PHE 15 HZ PHE 15 7.348 -9.171 -0.678
125 H THR 16 HN THR 16 7.547 -0.987 -2.412
126 HA THR 16 HA THR 16 9.307 -1.539 -4.597
127 HB THR 16 HB THR 16 8.358 1.073 -3.374
128 HG1 THR 16 HG1 THR 16 7.257 -0.831 -5.096
129 1HG2 THR 16 HG21 THR 16 8.600 1.697 -5.924
130 2HG2 THR 16 HG22 THR 16 9.767 0.375 -5.926
131 3HG2 THR 16 HG23 THR 16 10.007 1.760 -4.862
132 H GLN 17 HN GLN 17 9.918 -0.450 -1.348
133 HA GLN 17 HA GLN 17 12.695 0.382 -2.078
134 1HB GLN 17 HB2 GLN 17 11.230 1.939 -0.810
135 2HB GLN 17 HB1 GLN 17 11.066 0.727 0.461
136 1HG GLN 17 HG2 GLN 17 12.885 1.699 1.395
137 2HG GLN 17 HG1 GLN 17 13.806 0.889 0.127
138 1HE2 GLN 17 HE21 GLN 17 15.000 2.255 -1.212
139 2HE2 GLN 17 HE22 GLN 17 14.712 3.916 -1.412
140 H ALA 18 HN ALA 18 11.310 -1.101 0.863
141 HA ALA 18 HA ALA 18 12.972 -3.518 0.533
142 1HB ALA 18 HB1 ALA 18 14.024 -2.925 2.845
143 2HB ALA 18 HB2 ALA 18 13.517 -1.276 2.477
144 3HB ALA 18 HB3 ALA 18 14.651 -2.108 1.413
145 1HN NH2 19 1HN NH2 19 10.186 -3.490 0.707
146 2HN NH2 19 2HN NH2 19 9.678 -4.034 2.233
Start of MODEL 3
1 1H SER 1 1H SER 1 -14.209 7.430 4.086
2 2H SER 1 2H SER 1 -15.700 7.562 3.282
3 3H SER 1 3H SER 1 -14.407 8.575 2.851
4 HA SER 1 HA SER 1 -14.350 5.616 2.550
5 1HB SER 1 HB2 SER 1 -15.094 7.876 0.670
6 2HB SER 1 HB1 SER 1 -14.764 6.231 0.130
7 HG SER 1 HG SER 1 -17.046 7.022 0.773
8 H GLY 2 HN GLY 2 -12.246 4.994 2.261
9 1HA GLY 2 HA2 GLY 2 -10.309 5.688 0.582
10 2HA GLY 2 HA1 GLY 2 -10.217 7.076 1.666
11 H THR 3 HN THR 3 -10.391 3.505 1.933
12 HA THR 3 HA THR 3 -8.320 3.701 4.099
13 HB THR 3 HB THR 3 -10.088 1.333 3.969
14 HG1 THR 3 HG1 THR 3 -11.053 3.957 4.392
15 1HG2 THR 3 HG21 THR 3 -8.610 2.920 5.892
16 2HG2 THR 3 HG22 THR 3 -9.235 1.279 6.051
17 3HG2 THR 3 HG23 THR 3 -10.265 2.658 6.439
18 H LEU 4 HN LEU 4 -9.690 1.032 2.150
19 HA LEU 4 HA LEU 4 -7.444 -0.584 1.942
20 1HB LEU 4 HB2 LEU 4 -9.490 0.085 -0.200
21 2HB LEU 4 HB1 LEU 4 -8.503 -1.376 -0.155
22 HG LEU 4 HG LEU 4 -9.688 -1.188 2.393
23 1HD1 LEU 4 HD11 LEU 4 -11.538 0.078 2.010
24 2HD1 LEU 4 HD12 LEU 4 -12.149 -1.359 1.190
25 3HD1 LEU 4 HD13 LEU 4 -11.388 -0.069 0.259
26 1HD2 LEU 4 HD21 LEU 4 -10.944 -3.210 1.565
27 2HD2 LEU 4 HD22 LEU 4 -9.210 -3.276 1.253
28 3HD2 LEU 4 HD23 LEU 4 -10.326 -2.869 -0.051
29 H SER 5 HN SER 5 -8.316 2.039 -0.347
30 HA SER 5 HA SER 5 -6.186 1.920 -2.129
31 1HB SER 5 HB2 SER 5 -6.481 4.536 -1.997
32 2HB SER 5 HB1 SER 5 -7.831 3.537 -2.528
33 HG SER 5 HG SER 5 -8.120 5.193 -0.746
34 H THR 6 HN THR 6 -6.177 3.953 0.833
35 HA THR 6 HA THR 6 -3.472 4.725 0.781
36 HB THR 6 HB THR 6 -4.078 4.403 3.455
37 HG1 THR 6 HG1 THR 6 -6.444 5.152 3.163
38 1HG2 THR 6 HG21 THR 6 -5.198 6.613 1.722
39 2HG2 THR 6 HG22 THR 6 -3.482 6.480 2.110
40 3HG2 THR 6 HG23 THR 6 -4.661 6.722 3.399
41 H PHE 7 HN PHE 7 -4.790 2.071 2.816
42 HA PHE 7 HA PHE 7 -2.473 0.897 3.740
43 1HB PHE 7 HB2 PHE 7 -5.202 0.121 3.127
44 2HB PHE 7 HB1 PHE 7 -4.102 -1.233 2.858
45 HD1 PHE 7 HD1 PHE 7 -5.221 1.284 5.354
46 HD2 PHE 7 HD2 PHE 7 -3.023 -2.343 4.679
47 HE1 PHE 7 HE1 PHE 7 -5.059 0.927 7.803
48 HE2 PHE 7 HE2 PHE 7 -2.860 -2.701 7.127
49 HZ PHE 7 HZ PHE 7 -3.879 -1.066 8.689
50 H PHE 8 HN PHE 8 -3.895 0.429 0.498
51 HA PHE 8 HA PHE 8 -1.902 -1.432 -0.438
52 1HB PHE 8 HB2 PHE 8 -4.293 -0.180 -1.311
53 2HB PHE 8 HB1 PHE 8 -3.064 0.201 -2.517
54 HD1 PHE 8 HD1 PHE 8 -1.338 -2.285 -2.079
55 HD2 PHE 8 HD2 PHE 8 -5.572 -1.770 -2.588
56 HE1 PHE 8 HE1 PHE 8 -1.509 -4.587 -2.985
57 HE2 PHE 8 HE2 PHE 8 -5.743 -4.072 -3.494
58 HZ PHE 8 HZ PHE 8 -3.712 -5.481 -3.693
59 H ARG 9 HN ARG 9 -2.145 2.104 -0.412
60 HA ARG 9 HA ARG 9 0.049 2.639 -2.198
61 1HB ARG 9 HB2 ARG 9 -1.895 4.095 -1.123
62 2HB ARG 9 HB1 ARG 9 -0.678 4.412 0.114
63 1HG ARG 9 HG2 ARG 9 0.908 5.038 -1.773
64 2HG ARG 9 HG1 ARG 9 -0.487 4.986 -2.852
65 1HD ARG 9 HD2 ARG 9 -0.908 7.133 -2.249
66 2HD ARG 9 HD1 ARG 9 -1.318 6.523 -0.634
67 HE ARG 9 HE ARG 9 1.526 6.645 -0.864
68 1HH1 ARG 9 HH11 ARG 9 -0.172 7.790 1.380
69 2HH1 ARG 9 HH12 ARG 9 0.173 9.481 1.239
70 1HH2 ARG 9 HH21 ARG 9 1.512 9.212 -1.948
71 2HH2 ARG 9 HH22 ARG 9 1.127 10.286 -0.645
72 H LEU 10 HN LEU 10 -0.166 2.333 1.353
73 HA LEU 10 HA LEU 10 2.627 2.879 1.853
74 1HB LEU 10 HB2 LEU 10 0.952 3.149 3.572
75 2HB LEU 10 HB1 LEU 10 0.411 1.481 3.381
76 HG LEU 10 HG LEU 10 3.201 1.376 3.877
77 1HD1 LEU 10 HD11 LEU 10 2.400 3.779 4.841
78 2HD1 LEU 10 HD12 LEU 10 3.658 2.806 5.605
79 3HD1 LEU 10 HD13 LEU 10 2.006 2.753 6.221
80 1HD2 LEU 10 HD21 LEU 10 2.033 -0.420 4.721
81 2HD2 LEU 10 HD22 LEU 10 0.651 0.569 5.194
82 3HD2 LEU 10 HD23 LEU 10 2.104 0.548 6.194
83 H PHE 11 HN PHE 11 0.740 -0.124 1.438
84 HA PHE 11 HA PHE 11 2.848 -1.970 2.014
85 1HB PHE 11 HB2 PHE 11 0.320 -2.318 1.766
86 2HB PHE 11 HB1 PHE 11 0.594 -2.328 0.023
87 HD1 PHE 11 HD1 PHE 11 0.359 -4.369 2.866
88 HD2 PHE 11 HD2 PHE 11 2.656 -3.881 -0.730
89 HE1 PHE 11 HE1 PHE 11 1.054 -6.747 2.987
90 HE2 PHE 11 HE2 PHE 11 3.351 -6.258 -0.609
91 HZ PHE 11 HZ PHE 11 2.550 -7.692 1.250
92 H ASN 12 HN ASN 12 1.644 -0.792 -1.157
93 HA ASN 12 HA ASN 12 3.648 -2.065 -2.747
94 1HB ASN 12 HB2 ASN 12 1.435 -1.018 -3.431
95 2HB ASN 12 HB1 ASN 12 2.218 0.556 -3.280
96 1HD2 ASN 12 HD21 ASN 12 1.974 0.891 -5.638
97 2HD2 ASN 12 HD22 ASN 12 2.992 0.082 -6.730
98 H ARG 13 HN ARG 13 3.449 1.343 -1.630
99 HA ARG 13 HA ARG 13 5.878 2.312 -2.620
100 1HB ARG 13 HB2 ARG 13 4.368 2.798 -0.040
101 2HB ARG 13 HB1 ARG 13 5.748 3.784 -0.527
102 1HG ARG 13 HG2 ARG 13 3.753 3.397 -2.657
103 2HG ARG 13 HG1 ARG 13 3.141 4.276 -1.255
104 1HD ARG 13 HD2 ARG 13 4.242 6.131 -1.937
105 2HD ARG 13 HD1 ARG 13 5.780 5.248 -1.870
106 HE ARG 13 HE ARG 13 5.378 4.503 -4.185
107 1HH1 ARG 13 HH21 ARG 13 2.516 5.909 -3.154
108 2HH1 ARG 13 HH22 ARG 13 2.267 6.870 -4.574
109 1HH2 ARG 13 HH11 ARG 13 5.383 6.161 -5.921
110 2HH2 ARG 13 HH12 ARG 13 3.890 7.013 -6.140
111 H SER 14 HN SER 14 5.347 0.677 0.527
112 HA SER 14 HA SER 14 8.065 0.704 1.394
113 1HB SER 14 HB2 SER 14 5.976 0.198 2.715
114 2HB SER 14 HB1 SER 14 5.916 -1.372 1.919
115 HG SER 14 HG SER 14 8.050 -0.345 3.494
116 H PHE 15 HN PHE 15 6.222 -1.769 -0.419
117 HA PHE 15 HA PHE 15 8.396 -3.647 -0.634
118 1HB PHE 15 HB2 PHE 15 5.653 -3.311 -1.453
119 2HB PHE 15 HB1 PHE 15 6.601 -3.891 -2.823
120 HD1 PHE 15 HD1 PHE 15 6.872 -6.191 -3.035
121 HD2 PHE 15 HD2 PHE 15 6.311 -4.502 0.875
122 HE1 PHE 15 HE1 PHE 15 6.914 -8.465 -2.046
123 HE2 PHE 15 HE2 PHE 15 6.354 -6.776 1.863
124 HZ PHE 15 HZ PHE 15 6.655 -8.758 0.403
125 H THR 16 HN THR 16 7.530 -0.761 -2.414
126 HA THR 16 HA THR 16 9.255 -1.415 -4.715
127 HB THR 16 HB THR 16 8.562 1.129 -5.106
128 HG1 THR 16 HG1 THR 16 7.632 1.671 -3.252
129 1HG2 THR 16 HG21 THR 16 6.159 0.077 -5.669
130 2HG2 THR 16 HG22 THR 16 7.046 -1.420 -5.380
131 3HG2 THR 16 HG23 THR 16 7.594 -0.297 -6.624
132 H GLN 17 HN GLN 17 9.476 0.302 -1.678
133 HA GLN 17 HA GLN 17 11.783 1.933 -2.395
134 1HB GLN 17 HB2 GLN 17 9.889 1.706 -0.326
135 2HB GLN 17 HB1 GLN 17 11.444 1.364 0.433
136 1HG GLN 17 HG2 GLN 17 12.332 3.458 -0.142
137 2HG GLN 17 HG1 GLN 17 11.151 3.710 -1.428
138 1HE2 GLN 17 HE21 GLN 17 11.901 4.820 1.595
139 2HE2 GLN 17 HE22 GLN 17 10.352 5.254 2.137
140 H ALA 18 HN ALA 18 11.620 -0.541 0.177
141 HA ALA 18 HA ALA 18 14.339 -1.471 -0.686
142 1HB ALA 18 HB1 ALA 18 13.646 -2.148 2.026
143 2HB ALA 18 HB2 ALA 18 13.307 -0.439 1.755
144 3HB ALA 18 HB3 ALA 18 14.925 -1.074 1.459
145 1HN NH2 19 1HN NH2 19 11.051 -2.466 0.146
146 2HN NH2 19 2HN NH2 19 11.285 -4.129 -0.101
Start of MODEL 4
1 1H SER 1 1H SER 1 -8.516 8.539 -0.060
2 2H SER 1 2H SER 1 -8.445 8.336 1.625
3 3H SER 1 3H SER 1 -8.677 9.883 0.961
4 HA SER 1 HA SER 1 -10.776 9.036 1.816
5 1HB SER 1 HB2 SER 1 -11.908 9.815 -0.061
6 2HB SER 1 HB1 SER 1 -10.271 10.338 -0.452
7 HG SER 1 HG SER 1 -11.846 8.629 -1.764
8 H GLY 2 HN GLY 2 -9.316 6.638 2.030
9 1HA GLY 2 HA2 GLY 2 -11.278 4.652 1.668
10 2HA GLY 2 HA1 GLY 2 -10.232 4.576 0.249
11 H THR 3 HN THR 3 -10.470 3.913 3.650
12 HA THR 3 HA THR 3 -7.888 3.577 4.567
13 HB THR 3 HB THR 3 -8.875 1.528 5.737
14 HG1 THR 3 HG1 THR 3 -11.325 1.696 5.242
15 1HG2 THR 3 HG21 THR 3 -11.009 3.418 6.160
16 2HG2 THR 3 HG22 THR 3 -9.485 4.280 5.952
17 3HG2 THR 3 HG23 THR 3 -9.638 3.049 7.205
18 H LEU 4 HN LEU 4 -9.613 1.396 2.332
19 HA LEU 4 HA LEU 4 -7.561 -0.605 2.161
20 1HB LEU 4 HB2 LEU 4 -9.896 -0.933 1.484
21 2HB LEU 4 HB1 LEU 4 -9.722 0.295 0.229
22 HG LEU 4 HG LEU 4 -7.654 -1.762 0.060
23 1HD1 LEU 4 HD11 LEU 4 -9.801 -3.150 -1.044
24 2HD1 LEU 4 HD12 LEU 4 -10.419 -2.589 0.509
25 3HD1 LEU 4 HD13 LEU 4 -8.955 -3.570 0.445
26 1HD2 LEU 4 HD21 LEU 4 -9.128 0.014 -1.600
27 2HD2 LEU 4 HD22 LEU 4 -9.446 -1.619 -2.187
28 3HD2 LEU 4 HD23 LEU 4 -7.787 -1.032 -2.067
29 H SER 5 HN SER 5 -8.395 2.041 -0.120
30 HA SER 5 HA SER 5 -6.314 1.736 -1.965
31 1HB SER 5 HB2 SER 5 -6.749 4.065 -2.473
32 2HB SER 5 HB1 SER 5 -8.272 3.337 -1.970
33 HG SER 5 HG SER 5 -7.909 5.318 -0.910
34 H THR 6 HN THR 6 -6.233 3.884 0.913
35 HA THR 6 HA THR 6 -3.547 4.703 0.748
36 HB THR 6 HB THR 6 -4.035 4.456 3.443
37 HG1 THR 6 HG1 THR 6 -6.054 3.397 2.723
38 1HG2 THR 6 HG21 THR 6 -3.571 6.591 2.622
39 2HG2 THR 6 HG22 THR 6 -5.276 6.733 3.047
40 3HG2 THR 6 HG23 THR 6 -4.805 6.483 1.367
41 H PHE 7 HN PHE 7 -4.730 2.083 2.904
42 HA PHE 7 HA PHE 7 -2.355 0.976 3.761
43 1HB PHE 7 HB2 PHE 7 -5.076 0.024 3.116
44 2HB PHE 7 HB1 PHE 7 -3.858 -1.250 3.177
45 HD1 PHE 7 HD1 PHE 7 -1.989 -0.340 5.208
46 HD2 PHE 7 HD2 PHE 7 -6.275 -0.059 5.130
47 HE1 PHE 7 HE1 PHE 7 -2.028 -0.263 7.686
48 HE2 PHE 7 HE2 PHE 7 -6.314 0.018 7.610
49 HZ PHE 7 HZ PHE 7 -4.191 -0.084 8.887
50 H PHE 8 HN PHE 8 -3.898 0.409 0.594
51 HA PHE 8 HA PHE 8 -1.922 -1.455 -0.375
52 1HB PHE 8 HB2 PHE 8 -4.347 -0.814 -1.158
53 2HB PHE 8 HB1 PHE 8 -3.520 0.426 -2.102
54 HD1 PHE 8 HD1 PHE 8 -1.848 -0.212 -3.828
55 HD2 PHE 8 HD2 PHE 8 -4.173 -3.150 -1.728
56 HE1 PHE 8 HE1 PHE 8 -1.249 -1.907 -5.537
57 HE2 PHE 8 HE2 PHE 8 -3.575 -4.844 -3.436
58 HZ PHE 8 HZ PHE 8 -2.112 -4.223 -5.340
59 H ARG 9 HN ARG 9 -2.212 2.079 -0.434
60 HA ARG 9 HA ARG 9 -0.081 2.603 -2.292
61 1HB ARG 9 HB2 ARG 9 -1.998 4.066 -1.203
62 2HB ARG 9 HB1 ARG 9 -0.770 4.397 0.019
63 1HG ARG 9 HG2 ARG 9 -0.430 6.120 -1.545
64 2HG ARG 9 HG1 ARG 9 0.776 4.920 -2.011
65 1HD ARG 9 HD2 ARG 9 -0.405 4.273 -3.919
66 2HD ARG 9 HD1 ARG 9 -1.965 4.798 -3.251
67 HE ARG 9 HE ARG 9 -0.953 7.177 -3.421
68 1HH1 ARG 9 HH11 ARG 9 -1.600 5.228 -5.943
69 2HH1 ARG 9 HH12 ARG 9 -0.460 5.908 -7.055
70 1HH2 ARG 9 HH21 ARG 9 1.188 7.770 -4.638
71 2HH2 ARG 9 HH22 ARG 9 1.118 7.348 -6.316
72 H LEU 10 HN LEU 10 -0.176 2.396 1.274
73 HA LEU 10 HA LEU 10 2.624 2.960 1.676
74 1HB LEU 10 HB2 LEU 10 1.053 3.248 3.463
75 2HB LEU 10 HB1 LEU 10 0.440 1.605 3.276
76 HG LEU 10 HG LEU 10 3.315 1.623 3.726
77 1HD1 LEU 10 HD11 LEU 10 1.642 3.389 5.368
78 2HD1 LEU 10 HD12 LEU 10 3.399 3.288 5.261
79 3HD1 LEU 10 HD13 LEU 10 2.515 2.183 6.313
80 1HD2 LEU 10 HD21 LEU 10 2.516 -0.416 4.316
81 2HD2 LEU 10 HD22 LEU 10 0.880 0.202 4.539
82 3HD2 LEU 10 HD23 LEU 10 2.061 0.345 5.840
83 H PHE 11 HN PHE 11 0.754 -0.057 1.331
84 HA PHE 11 HA PHE 11 2.865 -1.897 1.890
85 1HB PHE 11 HB2 PHE 11 0.402 -2.351 1.717
86 2HB PHE 11 HB1 PHE 11 0.529 -2.159 -0.031
87 HD1 PHE 11 HD1 PHE 11 1.478 -4.253 2.859
88 HD2 PHE 11 HD2 PHE 11 1.619 -3.831 -1.413
89 HE1 PHE 11 HE1 PHE 11 2.208 -6.613 2.650
90 HE2 PHE 11 HE2 PHE 11 2.349 -6.191 -1.623
91 HZ PHE 11 HZ PHE 11 2.644 -7.583 0.409
92 H ASN 12 HN ASN 12 1.721 -0.559 -1.231
93 HA ASN 12 HA ASN 12 3.667 -1.888 -2.867
94 1HB ASN 12 HB2 ASN 12 1.563 -0.863 -3.658
95 2HB ASN 12 HB1 ASN 12 2.174 0.733 -3.222
96 1HD2 ASN 12 HD21 ASN 12 3.812 -2.022 -4.878
97 2HD2 ASN 12 HD22 ASN 12 4.240 -1.128 -6.257
98 H ARG 13 HN ARG 13 3.608 1.416 -1.479
99 HA ARG 13 HA ARG 13 6.081 2.337 -2.509
100 1HB ARG 13 HB2 ARG 13 4.149 3.457 -1.141
101 2HB ARG 13 HB1 ARG 13 5.096 2.969 0.266
102 1HG ARG 13 HG2 ARG 13 7.092 4.071 -1.029
103 2HG ARG 13 HG1 ARG 13 5.816 4.908 -1.914
104 1HD ARG 13 HD2 ARG 13 5.043 6.031 0.004
105 2HD ARG 13 HD1 ARG 13 5.793 4.858 1.104
106 HE ARG 13 HE ARG 13 7.893 5.956 -0.414
107 1HH1 ARG 13 HH21 ARG 13 5.971 8.356 -0.017
108 2HH1 ARG 13 HH22 ARG 13 6.674 9.083 1.388
109 1HH2 ARG 13 HH11 ARG 13 8.596 6.310 2.189
110 2HH2 ARG 13 HH12 ARG 13 8.160 7.926 2.637
111 H SER 14 HN SER 14 5.413 0.657 0.584
112 HA SER 14 HA SER 14 8.123 0.587 1.507
113 1HB SER 14 HB2 SER 14 5.506 -0.629 2.106
114 2HB SER 14 HB1 SER 14 6.879 -1.624 2.578
115 HG SER 14 HG SER 14 6.071 0.048 4.114
116 H PHE 15 HN PHE 15 6.210 -1.721 -0.429
117 HA PHE 15 HA PHE 15 8.298 -3.729 -0.569
118 1HB PHE 15 HB2 PHE 15 5.579 -3.259 -1.451
119 2HB PHE 15 HB1 PHE 15 6.531 -3.953 -2.763
120 HD1 PHE 15 HD1 PHE 15 4.885 -4.585 0.388
121 HD2 PHE 15 HD2 PHE 15 7.883 -6.066 -2.310
122 HE1 PHE 15 HE1 PHE 15 4.764 -6.812 1.474
123 HE2 PHE 15 HE2 PHE 15 7.761 -8.292 -1.224
124 HZ PHE 15 HZ PHE 15 6.202 -8.665 0.669
125 H THR 16 HN THR 16 7.540 -0.833 -2.394
126 HA THR 16 HA THR 16 9.330 -1.580 -4.630
127 HB THR 16 HB THR 16 7.922 1.044 -4.082
128 HG1 THR 16 HG1 THR 16 6.910 -1.248 -5.408
129 1HG2 THR 16 HG21 THR 16 9.612 0.874 -5.941
130 2HG2 THR 16 HG22 THR 16 7.985 1.286 -6.484
131 3HG2 THR 16 HG23 THR 16 8.590 -0.358 -6.681
132 H GLN 17 HN GLN 17 9.376 0.331 -1.693
133 HA GLN 17 HA GLN 17 11.643 2.002 -2.375
134 1HB GLN 17 HB2 GLN 17 9.985 2.530 -0.634
135 2HB GLN 17 HB1 GLN 17 10.464 1.094 0.272
136 1HG GLN 17 HG2 GLN 17 12.731 1.994 0.545
137 2HG GLN 17 HG1 GLN 17 12.293 3.416 -0.404
138 1HE2 GLN 17 HE21 GLN 17 9.651 3.831 0.697
139 2HE2 GLN 17 HE22 GLN 17 9.833 4.306 2.317
140 H ALA 18 HN ALA 18 11.408 -0.765 -0.095
141 HA ALA 18 HA ALA 18 14.324 -1.271 -0.568
142 1HB ALA 18 HB1 ALA 18 12.604 -2.248 1.721
143 2HB ALA 18 HB2 ALA 18 13.339 -0.645 1.730
144 3HB ALA 18 HB3 ALA 18 14.360 -2.082 1.676
145 1HN NH2 19 1HN NH2 19 14.930 -3.367 -1.308
146 2HN NH2 19 2HN NH2 19 13.827 -4.618 -1.623
Start of MODEL 5
1 1H SER 1 1H SER 1 -10.231 10.727 2.320
2 2H SER 1 2H SER 1 -9.848 10.764 3.974
3 3H SER 1 3H SER 1 -10.772 9.487 3.342
4 HA SER 1 HA SER 1 -8.121 9.908 2.176
5 1HB SER 1 HB2 SER 1 -7.003 9.029 4.080
6 2HB SER 1 HB1 SER 1 -8.111 10.227 4.742
7 HG SER 1 HG SER 1 -8.515 8.464 5.932
8 H GLY 2 HN GLY 2 -10.093 7.518 3.992
9 1HA GLY 2 HA2 GLY 2 -11.230 5.691 2.759
10 2HA GLY 2 HA1 GLY 2 -9.891 5.721 1.610
11 H THR 3 HN THR 3 -9.831 3.347 2.190
12 HA THR 3 HA THR 3 -8.021 2.954 4.541
13 HB THR 3 HB THR 3 -9.423 0.720 4.720
14 HG1 THR 3 HG1 THR 3 -11.287 2.515 3.566
15 1HG2 THR 3 HG21 THR 3 -10.928 1.830 6.309
16 2HG2 THR 3 HG22 THR 3 -10.557 3.394 5.585
17 3HG2 THR 3 HG23 THR 3 -9.302 2.498 6.439
18 H LEU 4 HN LEU 4 -9.491 0.548 2.390
19 HA LEU 4 HA LEU 4 -7.276 -1.008 1.849
20 1HB LEU 4 HB2 LEU 4 -9.812 -0.972 1.033
21 2HB LEU 4 HB1 LEU 4 -9.093 -0.276 -0.419
22 HG LEU 4 HG LEU 4 -7.457 -2.469 0.365
23 1HD1 LEU 4 HD11 LEU 4 -10.116 -2.857 1.236
24 2HD1 LEU 4 HD12 LEU 4 -8.846 -4.076 1.110
25 3HD1 LEU 4 HD13 LEU 4 -9.947 -3.806 -0.242
26 1HD2 LEU 4 HD21 LEU 4 -8.286 -1.367 -1.935
27 2HD2 LEU 4 HD22 LEU 4 -9.433 -2.706 -1.863
28 3HD2 LEU 4 HD23 LEU 4 -7.699 -3.029 -1.863
29 H SER 5 HN SER 5 -8.268 1.840 -0.098
30 HA SER 5 HA SER 5 -6.202 1.883 -1.984
31 1HB SER 5 HB2 SER 5 -7.541 4.155 -0.480
32 2HB SER 5 HB1 SER 5 -6.634 4.352 -1.977
33 HG SER 5 HG SER 5 -8.125 2.774 -2.880
34 H THR 6 HN THR 6 -6.155 3.793 1.058
35 HA THR 6 HA THR 6 -3.481 4.626 0.990
36 HB THR 6 HB THR 6 -3.971 4.148 3.653
37 HG1 THR 6 HG1 THR 6 -6.334 4.668 3.657
38 1HG2 THR 6 HG21 THR 6 -4.516 6.320 1.721
39 2HG2 THR 6 HG22 THR 6 -3.635 6.366 3.247
40 3HG2 THR 6 HG23 THR 6 -5.397 6.427 3.244
41 H PHE 7 HN PHE 7 -4.638 1.823 2.915
42 HA PHE 7 HA PHE 7 -2.249 0.673 3.674
43 1HB PHE 7 HB2 PHE 7 -4.931 -0.336 2.831
44 2HB PHE 7 HB1 PHE 7 -3.654 -1.534 3.052
45 HD1 PHE 7 HD1 PHE 7 -3.586 -2.506 5.158
46 HD2 PHE 7 HD2 PHE 7 -4.794 1.599 4.791
47 HE1 PHE 7 HE1 PHE 7 -3.884 -2.374 7.617
48 HE2 PHE 7 HE2 PHE 7 -5.092 1.732 7.249
49 HZ PHE 7 HZ PHE 7 -4.638 -0.255 8.662
50 H PHE 8 HN PHE 8 -3.790 0.374 0.472
51 HA PHE 8 HA PHE 8 -1.806 -1.400 -0.648
52 1HB PHE 8 HB2 PHE 8 -4.249 -0.100 -1.357
53 2HB PHE 8 HB1 PHE 8 -3.066 0.264 -2.615
54 HD1 PHE 8 HD1 PHE 8 -4.531 -2.551 -0.642
55 HD2 PHE 8 HD2 PHE 8 -2.466 -1.362 -4.216
56 HE1 PHE 8 HE1 PHE 8 -4.791 -4.842 -1.556
57 HE2 PHE 8 HE2 PHE 8 -2.727 -3.652 -5.131
58 HZ PHE 8 HZ PHE 8 -3.890 -5.393 -3.800
59 H ARG 9 HN ARG 9 -2.101 2.116 -0.383
60 HA ARG 9 HA ARG 9 0.007 2.781 -2.246
61 1HB ARG 9 HB2 ARG 9 -1.756 4.331 -1.514
62 2HB ARG 9 HB1 ARG 9 -1.175 4.229 0.149
63 1HG ARG 9 HG2 ARG 9 -0.365 6.272 -1.061
64 2HG ARG 9 HG1 ARG 9 0.942 5.244 -0.471
65 1HD ARG 9 HD2 ARG 9 1.473 4.461 -2.623
66 2HD ARG 9 HD1 ARG 9 -0.129 4.873 -3.268
67 HE ARG 9 HE ARG 9 0.523 7.288 -2.982
68 1HH1 ARG 9 HH21 ARG 9 2.422 5.400 -4.747
69 2HH1 ARG 9 HH22 ARG 9 3.927 6.198 -4.436
70 1HH2 ARG 9 HH11 ARG 9 2.687 8.087 -1.806
71 2HH2 ARG 9 HH12 ARG 9 4.078 7.720 -2.771
72 H LEU 10 HN LEU 10 -0.072 2.581 1.334
73 HA LEU 10 HA LEU 10 2.750 3.069 1.677
74 1HB LEU 10 HB2 LEU 10 0.486 2.922 3.236
75 2HB LEU 10 HB1 LEU 10 1.337 1.447 3.697
76 HG LEU 10 HG LEU 10 2.722 4.131 3.576
77 1HD1 LEU 10 HD11 LEU 10 0.640 3.665 5.266
78 2HD1 LEU 10 HD12 LEU 10 2.021 4.681 5.680
79 3HD1 LEU 10 HD13 LEU 10 1.973 3.000 6.211
80 1HD2 LEU 10 HD21 LEU 10 3.742 1.613 3.741
81 2HD2 LEU 10 HD22 LEU 10 3.511 1.973 5.453
82 3HD2 LEU 10 HD23 LEU 10 4.520 3.024 4.458
83 H PHE 11 HN PHE 11 0.807 0.149 1.204
84 HA PHE 11 HA PHE 11 2.881 -1.747 1.889
85 1HB PHE 11 HB2 PHE 11 0.198 -1.692 0.604
86 2HB PHE 11 HB1 PHE 11 1.210 -3.086 0.225
87 HD1 PHE 11 HD1 PHE 11 -1.394 -2.446 2.164
88 HD2 PHE 11 HD2 PHE 11 2.744 -3.474 2.691
89 HE1 PHE 11 HE1 PHE 11 -1.921 -3.434 4.377
90 HE2 PHE 11 HE2 PHE 11 2.216 -4.463 4.904
91 HZ PHE 11 HZ PHE 11 -0.117 -4.443 5.746
92 H ASN 12 HN ASN 12 1.652 -0.553 -1.263
93 HA ASN 12 HA ASN 12 3.560 -1.967 -2.875
94 1HB ASN 12 HB2 ASN 12 1.322 -0.351 -3.199
95 2HB ASN 12 HB1 ASN 12 2.622 0.614 -3.899
96 1HD2 ASN 12 HD21 ASN 12 0.516 -2.042 -4.483
97 2HD2 ASN 12 HD22 ASN 12 1.255 -2.606 -5.903
98 H ARG 13 HN ARG 13 3.537 1.365 -1.578
99 HA ARG 13 HA ARG 13 6.013 2.201 -2.760
100 1HB ARG 13 HB2 ARG 13 4.492 3.826 -1.912
101 2HB ARG 13 HB1 ARG 13 4.381 3.016 -0.348
102 1HG ARG 13 HG2 ARG 13 6.502 3.752 0.330
103 2HG ARG 13 HG1 ARG 13 7.029 4.059 -1.324
104 1HD ARG 13 HD2 ARG 13 5.434 5.954 -1.479
105 2HD ARG 13 HD1 ARG 13 4.945 5.662 0.202
106 HE ARG 13 HE ARG 13 7.795 5.836 0.093
107 1HH1 ARG 13 HH21 ARG 13 5.872 8.025 -1.449
108 2HH1 ARG 13 HH22 ARG 13 6.212 9.367 -0.408
109 1HH2 ARG 13 HH11 ARG 13 7.849 7.447 1.971
110 2HH2 ARG 13 HH12 ARG 13 7.330 9.039 1.529
111 H SER 14 HN SER 14 5.254 0.680 0.376
112 HA SER 14 HA SER 14 7.961 0.787 1.397
113 1HB SER 14 HB2 SER 14 6.062 0.590 2.873
114 2HB SER 14 HB1 SER 14 5.489 -0.849 2.033
115 HG SER 14 HG SER 14 6.989 -0.827 4.113
116 H PHE 15 HN PHE 15 6.068 -1.672 -0.352
117 HA PHE 15 HA PHE 15 8.176 -3.688 -0.222
118 1HB PHE 15 HB2 PHE 15 5.447 -3.324 -1.287
119 2HB PHE 15 HB1 PHE 15 6.456 -4.415 -2.238
120 HD1 PHE 15 HD1 PHE 15 5.510 -6.531 -1.675
121 HD2 PHE 15 HD2 PHE 15 6.683 -3.797 1.424
122 HE1 PHE 15 HE1 PHE 15 5.186 -8.312 0.020
123 HE2 PHE 15 HE2 PHE 15 6.358 -5.577 3.119
124 HZ PHE 15 HZ PHE 15 5.609 -7.834 2.417
125 H THR 16 HN THR 16 7.328 -1.060 -2.374
126 HA THR 16 HA THR 16 8.746 -2.000 -4.714
127 HB THR 16 HB THR 16 7.770 0.672 -3.687
128 HG1 THR 16 HG1 THR 16 6.511 0.200 -5.758
129 1HG2 THR 16 HG21 THR 16 9.190 1.657 -5.137
130 2HG2 THR 16 HG22 THR 16 8.210 0.943 -6.417
131 3HG2 THR 16 HG23 THR 16 9.655 0.110 -5.843
132 H GLN 17 HN GLN 17 9.619 0.214 -2.042
133 HA GLN 17 HA GLN 17 12.345 0.580 -3.075
134 1HB GLN 17 HB2 GLN 17 10.532 1.705 -1.090
135 2HB GLN 17 HB1 GLN 17 12.156 1.498 -0.432
136 1HG GLN 17 HG2 GLN 17 12.299 2.535 -3.128
137 2HG GLN 17 HG1 GLN 17 11.268 3.563 -2.132
138 1HE2 GLN 17 HE21 GLN 17 13.984 1.642 -0.854
139 2HE2 GLN 17 HE22 GLN 17 14.938 2.975 -0.416
140 H ALA 18 HN ALA 18 11.574 -0.179 0.296
141 HA ALA 18 HA ALA 18 13.866 -1.978 0.493
142 1HB ALA 18 HB1 ALA 18 13.432 -0.702 2.409
143 2HB ALA 18 HB2 ALA 18 12.700 -2.247 2.840
144 3HB ALA 18 HB3 ALA 18 11.687 -0.919 2.274
145 1HN NH2 19 1HN NH2 19 13.737 -4.305 0.842
146 2HN NH2 19 2HN NH2 19 12.334 -5.195 0.499
Start of MODEL 6
1 1H SER 1 1H SER 1 -9.927 -3.795 4.259
2 2H SER 1 2H SER 1 -10.128 -4.886 5.546
3 3H SER 1 3H SER 1 -11.071 -3.474 5.469
4 HA SER 1 HA SER 1 -11.190 -5.529 3.334
5 1HB SER 1 HB2 SER 1 -11.836 -6.864 5.092
6 2HB SER 1 HB1 SER 1 -12.212 -5.488 6.126
7 HG SER 1 HG SER 1 -14.107 -6.559 5.494
8 H GLY 2 HN GLY 2 -11.432 -2.441 3.753
9 1HA GLY 2 HA2 GLY 2 -14.162 -2.226 2.545
10 2HA GLY 2 HA1 GLY 2 -13.556 -1.022 3.684
11 H THR 3 HN THR 3 -11.696 0.280 3.010
12 HA THR 3 HA THR 3 -11.802 0.910 0.132
13 HB THR 3 HB THR 3 -9.898 2.517 1.378
14 HG1 THR 3 HG1 THR 3 -10.279 2.457 3.423
15 1HG2 THR 3 HG21 THR 3 -12.366 3.768 1.796
16 2HG2 THR 3 HG22 THR 3 -12.640 2.690 0.428
17 3HG2 THR 3 HG23 THR 3 -11.356 3.896 0.357
18 H LEU 4 HN LEU 4 -9.105 0.389 2.442
19 HA LEU 4 HA LEU 4 -7.081 -0.817 2.155
20 1HB LEU 4 HB2 LEU 4 -8.999 -2.094 0.600
21 2HB LEU 4 HB1 LEU 4 -7.694 -1.782 -0.546
22 HG LEU 4 HG LEU 4 -6.255 -2.649 1.586
23 1HD1 LEU 4 HD11 LEU 4 -7.507 -4.705 2.405
24 2HD1 LEU 4 HD12 LEU 4 -8.961 -4.003 1.697
25 3HD1 LEU 4 HD13 LEU 4 -8.124 -3.165 3.003
26 1HD2 LEU 4 HD21 LEU 4 -7.555 -4.657 -0.250
27 2HD2 LEU 4 HD22 LEU 4 -5.886 -4.600 0.319
28 3HD2 LEU 4 HD23 LEU 4 -6.446 -3.445 -0.892
29 H SER 5 HN SER 5 -8.167 1.731 0.276
30 HA SER 5 HA SER 5 -6.304 1.961 -1.846
31 1HB SER 5 HB2 SER 5 -8.115 3.641 -0.265
32 2HB SER 5 HB1 SER 5 -6.725 4.532 -0.877
33 HG SER 5 HG SER 5 -8.852 3.947 -2.203
34 H THR 6 HN THR 6 -6.049 3.792 1.223
35 HA THR 6 HA THR 6 -3.361 4.551 1.006
36 HB THR 6 HB THR 6 -3.673 4.179 3.682
37 HG1 THR 6 HG1 THR 6 -6.128 4.692 3.699
38 1HG2 THR 6 HG21 THR 6 -5.412 6.319 2.679
39 2HG2 THR 6 HG22 THR 6 -3.832 6.275 1.895
40 3HG2 THR 6 HG23 THR 6 -3.943 6.425 3.649
41 H PHE 7 HN PHE 7 -4.555 1.728 2.886
42 HA PHE 7 HA PHE 7 -2.178 0.524 3.621
43 1HB PHE 7 HB2 PHE 7 -4.842 -0.143 3.522
44 2HB PHE 7 HB1 PHE 7 -4.145 -1.312 2.400
45 HD1 PHE 7 HD1 PHE 7 -2.722 0.248 5.492
46 HD2 PHE 7 HD2 PHE 7 -4.011 -3.356 3.544
47 HE1 PHE 7 HE1 PHE 7 -1.875 -1.086 7.402
48 HE2 PHE 7 HE2 PHE 7 -3.164 -4.692 5.455
49 HZ PHE 7 HZ PHE 7 -2.096 -3.557 7.384
50 H PHE 8 HN PHE 8 -3.712 0.392 0.408
51 HA PHE 8 HA PHE 8 -1.736 -1.380 -0.760
52 1HB PHE 8 HB2 PHE 8 -4.122 -0.930 -1.507
53 2HB PHE 8 HB1 PHE 8 -3.564 0.632 -2.105
54 HD1 PHE 8 HD1 PHE 8 -2.372 0.819 -4.160
55 HD2 PHE 8 HD2 PHE 8 -3.098 -3.047 -2.433
56 HE1 PHE 8 HE1 PHE 8 -1.575 -0.262 -6.245
57 HE2 PHE 8 HE2 PHE 8 -2.300 -4.128 -4.518
58 HZ PHE 8 HZ PHE 8 -1.538 -2.735 -6.423
59 H ARG 9 HN ARG 9 -2.090 2.136 -0.468
60 HA ARG 9 HA ARG 9 0.003 2.854 -2.319
61 1HB ARG 9 HB2 ARG 9 -1.867 4.285 -1.381
62 2HB ARG 9 HB1 ARG 9 -0.977 4.332 0.142
63 1HG ARG 9 HG2 ARG 9 1.019 5.172 -1.246
64 2HG ARG 9 HG1 ARG 9 -0.149 5.451 -2.539
65 1HD ARG 9 HD2 ARG 9 -1.431 6.971 -1.132
66 2HD ARG 9 HD1 ARG 9 -0.396 6.605 0.262
67 HE ARG 9 HE ARG 9 1.153 8.134 -0.636
68 1HH1 ARG 9 HH11 ARG 9 -1.125 8.881 -2.638
69 2HH1 ARG 9 HH12 ARG 9 -0.240 8.826 -4.126
70 1HH2 ARG 9 HH21 ARG 9 2.461 7.129 -2.765
71 2HH2 ARG 9 HH22 ARG 9 1.790 7.833 -4.197
72 H LEU 10 HN LEU 10 -0.046 2.505 1.245
73 HA LEU 10 HA LEU 10 2.786 3.030 1.565
74 1HB LEU 10 HB2 LEU 10 0.422 2.457 3.140
75 2HB LEU 10 HB1 LEU 10 1.792 1.517 3.733
76 HG LEU 10 HG LEU 10 2.015 4.472 3.142
77 1HD1 LEU 10 HD11 LEU 10 1.845 3.678 5.963
78 2HD1 LEU 10 HD12 LEU 10 0.342 3.419 5.077
79 3HD1 LEU 10 HD13 LEU 10 1.071 5.024 5.127
80 1HD2 LEU 10 HD21 LEU 10 4.095 4.312 4.111
81 2HD2 LEU 10 HD22 LEU 10 3.957 2.647 3.545
82 3HD2 LEU 10 HD23 LEU 10 3.593 3.041 5.225
83 H PHE 11 HN PHE 11 0.817 0.097 1.192
84 HA PHE 11 HA PHE 11 2.877 -1.808 1.813
85 1HB PHE 11 HB2 PHE 11 0.233 -1.736 0.420
86 2HB PHE 11 HB1 PHE 11 1.244 -3.160 0.175
87 HD1 PHE 11 HD1 PHE 11 0.571 -0.908 3.106
88 HD2 PHE 11 HD2 PHE 11 0.593 -4.915 1.559
89 HE1 PHE 11 HE1 PHE 11 -0.099 -1.771 5.332
90 HE2 PHE 11 HE2 PHE 11 -0.077 -5.778 3.785
91 HZ PHE 11 HZ PHE 11 -0.423 -4.206 5.672
92 H ASN 12 HN ASN 12 1.770 -0.406 -1.285
93 HA ASN 12 HA ASN 12 3.674 -1.866 -2.909
94 1HB ASN 12 HB2 ASN 12 1.404 -0.374 -3.288
95 2HB ASN 12 HB1 ASN 12 2.648 0.742 -3.849
96 1HD2 ASN 12 HD21 ASN 12 0.920 -0.259 -5.782
97 2HD2 ASN 12 HD22 ASN 12 1.720 -1.397 -6.754
98 H ARG 13 HN ARG 13 3.569 1.507 -1.700
99 HA ARG 13 HA ARG 13 6.065 2.345 -2.812
100 1HB ARG 13 HB2 ARG 13 4.247 3.171 -0.569
101 2HB ARG 13 HB1 ARG 13 5.822 3.951 -0.718
102 1HG ARG 13 HG2 ARG 13 4.556 3.773 -3.311
103 2HG ARG 13 HG1 ARG 13 3.480 4.569 -2.162
104 1HD ARG 13 HD2 ARG 13 4.972 6.330 -1.777
105 2HD ARG 13 HD1 ARG 13 6.383 5.367 -2.265
106 HE ARG 13 HE ARG 13 4.385 6.549 -4.135
107 1HH1 ARG 13 HH21 ARG 13 6.897 4.272 -3.708
108 2HH1 ARG 13 HH22 ARG 13 7.664 4.614 -5.222
109 1HH2 ARG 13 HH11 ARG 13 5.538 7.236 -6.011
110 2HH2 ARG 13 HH12 ARG 13 6.894 6.292 -6.526
111 H SER 14 HN SER 14 5.261 0.804 0.298
112 HA SER 14 HA SER 14 8.021 0.927 1.272
113 1HB SER 14 HB2 SER 14 5.545 -0.564 2.199
114 2HB SER 14 HB1 SER 14 7.031 -0.394 3.132
115 HG SER 14 HG SER 14 5.135 1.193 3.356
116 H PHE 15 HN PHE 15 5.890 -1.519 -0.189
117 HA PHE 15 HA PHE 15 7.816 -3.693 0.105
118 1HB PHE 15 HB2 PHE 15 5.353 -3.972 0.020
119 2HB PHE 15 HB1 PHE 15 5.348 -3.355 -1.633
120 HD1 PHE 15 HD1 PHE 15 5.493 -4.873 -3.398
121 HD2 PHE 15 HD2 PHE 15 7.030 -5.979 0.457
122 HE1 PHE 15 HE1 PHE 15 5.997 -7.146 -4.251
123 HE2 PHE 15 HE2 PHE 15 7.534 -8.254 -0.396
124 HZ PHE 15 HZ PHE 15 7.017 -8.837 -2.750
125 H THR 16 HN THR 16 7.408 -1.084 -2.107
126 HA THR 16 HA THR 16 8.654 -2.416 -4.408
127 HB THR 16 HB THR 16 7.805 0.396 -3.688
128 HG1 THR 16 HG1 THR 16 6.056 -0.557 -4.372
129 1HG2 THR 16 HG21 THR 16 9.354 1.107 -5.184
130 2HG2 THR 16 HG22 THR 16 8.264 0.435 -6.397
131 3HG2 THR 16 HG23 THR 16 9.625 -0.520 -5.810
132 H GLN 17 HN GLN 17 9.658 -0.269 -1.775
133 HA GLN 17 HA GLN 17 12.448 -0.272 -2.858
134 1HB GLN 17 HB2 GLN 17 11.440 1.913 -2.472
135 2HB GLN 17 HB1 GLN 17 10.989 1.452 -0.830
136 1HG GLN 17 HG2 GLN 17 13.825 1.018 -1.298
137 2HG GLN 17 HG1 GLN 17 13.376 2.694 -1.613
138 1HE2 GLN 17 HE21 GLN 17 14.980 1.976 0.659
139 2HE2 GLN 17 HE22 GLN 17 14.075 2.276 2.063
140 H ALA 18 HN ALA 18 10.454 -1.642 -0.429
141 HA ALA 18 HA ALA 18 12.764 -2.998 0.789
142 1HB ALA 18 HB1 ALA 18 12.396 -0.633 1.814
143 2HB ALA 18 HB2 ALA 18 12.580 -1.993 2.921
144 3HB ALA 18 HB3 ALA 18 10.975 -1.349 2.574
145 1HN NH2 19 1HN NH2 19 11.446 -4.869 -0.051
146 2HN NH2 19 2HN NH2 19 10.078 -5.389 0.809
Start of MODEL 7
1 1H SER 1 1H SER 1 -12.930 9.097 0.323
2 2H SER 1 2H SER 1 -13.796 7.792 -0.334
3 3H SER 1 3H SER 1 -12.101 7.837 -0.453
4 HA SER 1 HA SER 1 -11.974 7.721 2.018
5 1HB SER 1 HB2 SER 1 -14.061 7.266 3.184
6 2HB SER 1 HB1 SER 1 -14.283 8.708 2.197
7 HG SER 1 HG SER 1 -14.977 6.058 1.435
8 H GLY 2 HN GLY 2 -10.692 5.916 1.494
9 1HA GLY 2 HA2 GLY 2 -12.074 3.327 1.460
10 2HA GLY 2 HA1 GLY 2 -11.169 3.690 -0.011
11 H THR 3 HN THR 3 -10.890 3.029 3.430
12 HA THR 3 HA THR 3 -8.216 3.447 4.010
13 HB THR 3 HB THR 3 -9.420 0.782 4.653
14 HG1 THR 3 HG1 THR 3 -10.417 3.254 5.615
15 1HG2 THR 3 HG21 THR 3 -7.815 1.002 6.217
16 2HG2 THR 3 HG22 THR 3 -8.818 2.250 6.955
17 3HG2 THR 3 HG23 THR 3 -7.560 2.697 5.802
18 H LEU 4 HN LEU 4 -9.544 0.624 2.251
19 HA LEU 4 HA LEU 4 -7.275 -0.917 1.839
20 1HB LEU 4 HB2 LEU 4 -9.537 -0.133 -0.021
21 2HB LEU 4 HB1 LEU 4 -8.392 -1.421 -0.401
22 HG LEU 4 HG LEU 4 -10.284 -1.292 1.961
23 1HD1 LEU 4 HD11 LEU 4 -9.969 -3.317 -0.275
24 2HD1 LEU 4 HD12 LEU 4 -11.203 -2.058 -0.232
25 3HD1 LEU 4 HD13 LEU 4 -11.202 -3.334 0.986
26 1HD2 LEU 4 HD21 LEU 4 -8.325 -2.229 2.888
27 2HD2 LEU 4 HD22 LEU 4 -7.899 -3.048 1.386
28 3HD2 LEU 4 HD23 LEU 4 -9.242 -3.640 2.364
29 H SER 5 HN SER 5 -8.274 1.878 -0.176
30 HA SER 5 HA SER 5 -6.199 1.923 -2.043
31 1HB SER 5 HB2 SER 5 -7.872 3.968 -0.631
32 2HB SER 5 HB1 SER 5 -6.566 4.533 -1.669
33 HG SER 5 HG SER 5 -7.635 3.867 -3.367
34 H THR 6 HN THR 6 -6.169 3.834 0.997
35 HA THR 6 HA THR 6 -3.481 4.655 0.926
36 HB THR 6 HB THR 6 -4.017 4.237 3.596
37 HG1 THR 6 HG1 THR 6 -6.286 4.620 3.737
38 1HG2 THR 6 HG21 THR 6 -4.162 6.368 1.669
39 2HG2 THR 6 HG22 THR 6 -3.824 6.465 3.397
40 3HG2 THR 6 HG23 THR 6 -5.489 6.528 2.821
41 H PHE 7 HN PHE 7 -4.696 1.907 2.897
42 HA PHE 7 HA PHE 7 -2.332 0.753 3.723
43 1HB PHE 7 HB2 PHE 7 -5.052 -0.114 3.056
44 2HB PHE 7 HB1 PHE 7 -3.871 -1.415 2.911
45 HD1 PHE 7 HD1 PHE 7 -3.918 1.530 5.216
46 HD2 PHE 7 HD2 PHE 7 -4.148 -2.742 4.836
47 HE1 PHE 7 HE1 PHE 7 -3.856 1.308 7.684
48 HE2 PHE 7 HE2 PHE 7 -4.086 -2.965 7.304
49 HZ PHE 7 HZ PHE 7 -3.940 -0.940 8.730
50 H PHE 8 HN PHE 8 -3.817 0.393 0.501
51 HA PHE 8 HA PHE 8 -1.814 -1.413 -0.539
52 1HB PHE 8 HB2 PHE 8 -4.032 -1.230 -1.505
53 2HB PHE 8 HB1 PHE 8 -3.809 0.495 -1.796
54 HD1 PHE 8 HD1 PHE 8 -2.690 1.287 -3.742
55 HD2 PHE 8 HD2 PHE 8 -2.577 -2.889 -2.742
56 HE1 PHE 8 HE1 PHE 8 -1.679 0.785 -5.951
57 HE2 PHE 8 HE2 PHE 8 -1.566 -3.391 -4.950
58 HZ PHE 8 HZ PHE 8 -1.116 -1.553 -6.554
59 H ARG 9 HN ARG 9 -2.127 2.111 -0.386
60 HA ARG 9 HA ARG 9 -0.006 2.741 -2.235
61 1HB ARG 9 HB2 ARG 9 -1.913 4.179 -1.238
62 2HB ARG 9 HB1 ARG 9 -0.862 4.367 0.166
63 1HG ARG 9 HG2 ARG 9 0.475 5.838 -0.908
64 2HG ARG 9 HG1 ARG 9 0.558 4.821 -2.347
65 1HD ARG 9 HD2 ARG 9 -2.091 5.831 -2.258
66 2HD ARG 9 HD1 ARG 9 -1.012 7.206 -1.942
67 HE ARG 9 HE ARG 9 0.118 6.750 -4.049
68 1HH1 ARG 9 HH11 ARG 9 -0.893 3.741 -3.674
69 2HH1 ARG 9 HH12 ARG 9 -1.805 3.593 -5.139
70 1HH2 ARG 9 HH21 ARG 9 -1.784 6.995 -5.808
71 2HH2 ARG 9 HH22 ARG 9 -2.310 5.436 -6.346
72 H LEU 10 HN LEU 10 -0.099 2.444 1.329
73 HA LEU 10 HA LEU 10 2.725 2.978 1.690
74 1HB LEU 10 HB2 LEU 10 0.748 3.171 3.330
75 2HB LEU 10 HB1 LEU 10 0.881 1.422 3.518
76 HG LEU 10 HG LEU 10 3.415 1.923 3.948
77 1HD1 LEU 10 HD11 LEU 10 2.919 4.353 5.318
78 2HD1 LEU 10 HD12 LEU 10 2.295 4.566 3.682
79 3HD1 LEU 10 HD13 LEU 10 3.978 4.102 3.931
80 1HD2 LEU 10 HD21 LEU 10 2.957 2.122 6.336
81 2HD2 LEU 10 HD22 LEU 10 1.749 1.061 5.611
82 3HD2 LEU 10 HD23 LEU 10 1.335 2.729 6.006
83 H PHE 11 HN PHE 11 0.778 0.039 1.264
84 HA PHE 11 HA PHE 11 2.860 -1.849 1.908
85 1HB PHE 11 HB2 PHE 11 0.216 -1.975 1.554
86 2HB PHE 11 HB1 PHE 11 0.698 -2.431 -0.081
87 HD1 PHE 11 HD1 PHE 11 3.249 -3.861 0.467
88 HD2 PHE 11 HD2 PHE 11 -0.532 -4.013 2.501
89 HE1 PHE 11 HE1 PHE 11 3.765 -6.155 1.257
90 HE2 PHE 11 HE2 PHE 11 -0.015 -6.307 3.291
91 HZ PHE 11 HZ PHE 11 2.134 -7.377 2.669
92 H ASN 12 HN ASN 12 1.684 -0.516 -1.200
93 HA ASN 12 HA ASN 12 3.573 -1.958 -2.840
94 1HB ASN 12 HB2 ASN 12 1.434 -0.020 -3.066
95 2HB ASN 12 HB1 ASN 12 2.783 0.444 -4.104
96 1HD2 ASN 12 HD21 ASN 12 3.215 -0.854 -5.961
97 2HD2 ASN 12 HD22 ASN 12 2.276 -2.201 -6.390
98 H ARG 13 HN ARG 13 3.518 1.390 -1.570
99 HA ARG 13 HA ARG 13 5.967 2.271 -2.730
100 1HB ARG 13 HB2 ARG 13 4.136 3.599 -1.583
101 2HB ARG 13 HB1 ARG 13 4.788 3.037 -0.043
102 1HG ARG 13 HG2 ARG 13 6.366 4.637 -0.103
103 2HG ARG 13 HG1 ARG 13 6.951 4.023 -1.648
104 1HD ARG 13 HD2 ARG 13 6.244 6.023 -2.494
105 2HD ARG 13 HD1 ARG 13 4.611 5.341 -2.358
106 HE ARG 13 HE ARG 13 4.934 6.230 0.157
107 1HH1 ARG 13 HH21 ARG 13 5.260 7.658 -2.943
108 2HH1 ARG 13 HH22 ARG 13 5.333 9.281 -2.345
109 1HH2 ARG 13 HH11 ARG 13 5.263 8.336 0.991
110 2HH2 ARG 13 HH12 ARG 13 5.335 9.665 -0.117
111 H SER 14 HN SER 14 5.317 0.723 0.428
112 HA SER 14 HA SER 14 8.059 0.776 1.331
113 1HB SER 14 HB2 SER 14 5.551 -0.749 2.039
114 2HB SER 14 HB1 SER 14 7.070 -1.053 2.877
115 HG SER 14 HG SER 14 6.105 1.572 2.540
116 H PHE 15 HN PHE 15 6.091 -1.638 -0.398
117 HA PHE 15 HA PHE 15 8.070 -3.741 -0.343
118 1HB PHE 15 HB2 PHE 15 5.759 -4.251 -0.723
119 2HB PHE 15 HB1 PHE 15 5.654 -3.090 -2.047
120 HD1 PHE 15 HD1 PHE 15 7.108 -3.503 -4.129
121 HD2 PHE 15 HD2 PHE 15 6.360 -6.494 -1.138
122 HE1 PHE 15 HE1 PHE 15 7.763 -5.274 -5.736
123 HE2 PHE 15 HE2 PHE 15 7.015 -8.265 -2.745
124 HZ PHE 15 HZ PHE 15 7.717 -7.655 -5.045
125 H THR 16 HN THR 16 7.366 -1.085 -2.589
126 HA THR 16 HA THR 16 8.960 -1.883 -4.794
127 HB THR 16 HB THR 16 8.344 0.839 -3.603
128 HG1 THR 16 HG1 THR 16 6.890 0.637 -5.576
129 1HG2 THR 16 HG21 THR 16 8.965 0.406 -6.498
130 2HG2 THR 16 HG22 THR 16 10.305 0.519 -5.358
131 3HG2 THR 16 HG23 THR 16 9.167 1.856 -5.514
132 H GLN 17 HN GLN 17 10.052 0.841 -2.809
133 HA GLN 17 HA GLN 17 12.772 0.686 -3.292
134 1HB GLN 17 HB2 GLN 17 11.132 2.156 -1.721
135 2HB GLN 17 HB1 GLN 17 11.943 1.201 -0.480
136 1HG GLN 17 HG2 GLN 17 13.894 2.099 -2.390
137 2HG GLN 17 HG1 GLN 17 12.948 3.483 -1.839
138 1HE2 GLN 17 HE21 GLN 17 13.970 0.491 -0.097
139 2HE2 GLN 17 HE22 GLN 17 14.754 1.318 1.162
140 H ALA 18 HN ALA 18 11.341 -0.685 -0.300
141 HA ALA 18 HA ALA 18 13.628 -2.581 -0.135
142 1HB ALA 18 HB1 ALA 18 13.345 -1.604 1.935
143 2HB ALA 18 HB2 ALA 18 12.213 -2.942 2.131
144 3HB ALA 18 HB3 ALA 18 11.619 -1.342 1.687
145 1HN NH2 19 1HN NH2 19 13.248 -4.594 -1.112
146 2HN NH2 19 2HN NH2 19 11.761 -5.414 -1.117
Start of MODEL 8
1 1H SER 1 1H SER 1 -12.387 7.822 -1.042
2 2H SER 1 2H SER 1 -12.624 6.140 -1.079
3 3H SER 1 3H SER 1 -11.891 6.927 -2.395
4 HA SER 1 HA SER 1 -10.027 6.102 -1.368
5 1HB SER 1 HB2 SER 1 -10.330 8.538 0.342
6 2HB SER 1 HB1 SER 1 -8.977 8.052 -0.675
7 HG SER 1 HG SER 1 -10.214 8.607 -2.483
8 H GLY 2 HN GLY 2 -11.278 4.308 -0.145
9 1HA GLY 2 HA2 GLY 2 -11.804 4.785 2.692
10 2HA GLY 2 HA1 GLY 2 -11.891 3.227 1.871
11 H THR 3 HN THR 3 -10.731 2.693 4.039
12 HA THR 3 HA THR 3 -7.976 3.464 4.405
13 HB THR 3 HB THR 3 -8.205 1.150 5.757
14 HG1 THR 3 HG1 THR 3 -10.614 1.280 6.303
15 1HG2 THR 3 HG21 THR 3 -8.087 3.581 6.576
16 2HG2 THR 3 HG22 THR 3 -8.929 2.433 7.617
17 3HG2 THR 3 HG23 THR 3 -9.850 3.538 6.596
18 H LEU 4 HN LEU 4 -9.547 1.127 2.361
19 HA LEU 4 HA LEU 4 -7.427 -0.763 2.017
20 1HB LEU 4 HB2 LEU 4 -9.931 -0.733 1.290
21 2HB LEU 4 HB1 LEU 4 -9.342 0.109 -0.144
22 HG LEU 4 HG LEU 4 -7.847 -1.734 -0.674
23 1HD1 LEU 4 HD11 LEU 4 -8.595 -2.563 2.086
24 2HD1 LEU 4 HD12 LEU 4 -7.054 -2.719 1.244
25 3HD1 LEU 4 HD13 LEU 4 -8.362 -3.853 0.907
26 1HD2 LEU 4 HD21 LEU 4 -10.747 -2.129 -0.289
27 2HD2 LEU 4 HD22 LEU 4 -9.827 -3.626 -0.449
28 3HD2 LEU 4 HD23 LEU 4 -9.755 -2.407 -1.721
29 H SER 5 HN SER 5 -8.309 2.096 0.034
30 HA SER 5 HA SER 5 -6.274 2.005 -1.881
31 1HB SER 5 HB2 SER 5 -7.888 4.100 -0.507
32 2HB SER 5 HB1 SER 5 -6.510 4.657 -1.451
33 HG SER 5 HG SER 5 -7.408 3.872 -3.251
34 H THR 6 HN THR 6 -6.098 3.897 1.167
35 HA THR 6 HA THR 6 -3.399 4.650 1.039
36 HB THR 6 HB THR 6 -3.837 4.195 3.707
37 HG1 THR 6 HG1 THR 6 -6.254 4.866 3.594
38 1HG2 THR 6 HG21 THR 6 -3.378 6.361 2.572
39 2HG2 THR 6 HG22 THR 6 -4.662 6.492 3.773
40 3HG2 THR 6 HG23 THR 6 -5.063 6.420 2.057
41 H PHE 7 HN PHE 7 -4.606 1.879 2.979
42 HA PHE 7 HA PHE 7 -2.247 0.651 3.698
43 1HB PHE 7 HB2 PHE 7 -4.962 0.005 3.508
44 2HB PHE 7 HB1 PHE 7 -4.151 -1.271 2.599
45 HD1 PHE 7 HD1 PHE 7 -3.590 0.685 5.761
46 HD2 PHE 7 HD2 PHE 7 -3.505 -3.143 3.814
47 HE1 PHE 7 HE1 PHE 7 -2.880 -0.379 7.885
48 HE2 PHE 7 HE2 PHE 7 -2.794 -4.207 5.938
49 HZ PHE 7 HZ PHE 7 -2.481 -2.825 7.974
50 H PHE 8 HN PHE 8 -3.824 0.429 0.508
51 HA PHE 8 HA PHE 8 -1.890 -1.395 -0.634
52 1HB PHE 8 HB2 PHE 8 -4.316 -0.033 -1.319
53 2HB PHE 8 HB1 PHE 8 -3.139 0.268 -2.599
54 HD1 PHE 8 HD1 PHE 8 -5.491 -2.061 -1.279
55 HD2 PHE 8 HD2 PHE 8 -1.793 -1.807 -3.449
56 HE1 PHE 8 HE1 PHE 8 -5.840 -4.359 -2.144
57 HE2 PHE 8 HE2 PHE 8 -2.142 -4.104 -4.315
58 HZ PHE 8 HZ PHE 8 -4.166 -5.381 -3.662
59 H ARG 9 HN ARG 9 -2.135 2.129 -0.385
60 HA ARG 9 HA ARG 9 -0.049 2.763 -2.275
61 1HB ARG 9 HB2 ARG 9 -1.095 4.241 0.164
62 2HB ARG 9 HB1 ARG 9 -0.183 4.967 -1.161
63 1HG ARG 9 HG2 ARG 9 -2.447 3.441 -2.158
64 2HG ARG 9 HG1 ARG 9 -2.966 4.685 -1.020
65 1HD ARG 9 HD2 ARG 9 -2.556 6.326 -2.528
66 2HD ARG 9 HD1 ARG 9 -0.923 5.703 -2.839
67 HE ARG 9 HE ARG 9 -3.213 5.196 -4.497
68 1HH1 ARG 9 HH21 ARG 9 -0.003 4.418 -3.977
69 2HH1 ARG 9 HH22 ARG 9 -0.054 2.885 -4.783
70 1HH2 ARG 9 HH11 ARG 9 -3.502 2.893 -5.146
71 2HH2 ARG 9 HH12 ARG 9 -2.035 2.022 -5.445
72 H LEU 10 HN LEU 10 -0.054 2.531 1.302
73 HA LEU 10 HA LEU 10 2.781 2.974 1.594
74 1HB LEU 10 HB2 LEU 10 0.569 2.877 3.202
75 2HB LEU 10 HB1 LEU 10 1.340 1.342 3.602
76 HG LEU 10 HG LEU 10 2.837 3.973 3.565
77 1HD1 LEU 10 HD11 LEU 10 1.157 4.199 5.272
78 2HD1 LEU 10 HD12 LEU 10 2.662 3.775 6.088
79 3HD1 LEU 10 HD13 LEU 10 1.421 2.548 5.832
80 1HD2 LEU 10 HD21 LEU 10 4.646 2.729 4.127
81 2HD2 LEU 10 HD22 LEU 10 3.704 1.331 3.610
82 3HD2 LEU 10 HD23 LEU 10 3.729 1.798 5.311
83 H PHE 11 HN PHE 11 0.776 0.054 1.268
84 HA PHE 11 HA PHE 11 2.823 -1.872 1.834
85 1HB PHE 11 HB2 PHE 11 0.274 -2.112 1.668
86 2HB PHE 11 HB1 PHE 11 0.497 -2.173 -0.080
87 HD1 PHE 11 HD1 PHE 11 0.453 -4.333 -0.935
88 HD2 PHE 11 HD2 PHE 11 2.267 -3.637 2.896
89 HE1 PHE 11 HE1 PHE 11 1.046 -6.736 -0.778
90 HE2 PHE 11 HE2 PHE 11 2.859 -6.040 3.053
91 HZ PHE 11 HZ PHE 11 2.248 -7.589 1.216
92 H ASN 12 HN ASN 12 1.650 -0.522 -1.271
93 HA ASN 12 HA ASN 12 3.510 -1.969 -2.925
94 1HB ASN 12 HB2 ASN 12 1.285 -0.414 -3.259
95 2HB ASN 12 HB1 ASN 12 2.550 0.691 -3.799
96 1HD2 ASN 12 HD21 ASN 12 1.903 0.480 -6.065
97 2HD2 ASN 12 HD22 ASN 12 2.206 -0.943 -6.938
98 H ARG 13 HN ARG 13 3.511 1.453 -1.838
99 HA ARG 13 HA ARG 13 6.084 2.110 -2.897
100 1HB ARG 13 HB2 ARG 13 5.850 4.064 -1.454
101 2HB ARG 13 HB1 ARG 13 4.269 3.665 -2.126
102 1HG ARG 13 HG2 ARG 13 3.540 3.698 0.018
103 2HG ARG 13 HG1 ARG 13 4.342 2.135 0.170
104 1HD ARG 13 HD2 ARG 13 5.043 3.755 1.956
105 2HD ARG 13 HD1 ARG 13 6.406 3.248 0.938
106 HE ARG 13 HE ARG 13 5.104 5.561 -0.193
107 1HH1 ARG 13 HH21 ARG 13 6.226 5.262 2.922
108 2HH1 ARG 13 HH22 ARG 13 7.497 6.430 2.781
109 1HH2 ARG 13 HH11 ARG 13 7.178 6.753 -0.657
110 2HH2 ARG 13 HH12 ARG 13 8.037 7.274 0.754
111 H SER 14 HN SER 14 5.113 0.433 0.024
112 HA SER 14 HA SER 14 7.652 0.765 1.422
113 1HB SER 14 HB2 SER 14 5.693 0.383 2.719
114 2HB SER 14 HB1 SER 14 5.190 -0.966 1.703
115 HG SER 14 HG SER 14 6.518 -1.133 3.906
116 H PHE 15 HN PHE 15 6.111 -1.906 -0.399
117 HA PHE 15 HA PHE 15 8.336 -3.726 -0.129
118 1HB PHE 15 HB2 PHE 15 5.702 -3.685 -1.120
119 2HB PHE 15 HB1 PHE 15 6.710 -4.089 -2.510
120 HD1 PHE 15 HD1 PHE 15 5.353 -5.244 0.649
121 HD2 PHE 15 HD2 PHE 15 8.334 -6.016 -2.345
122 HE1 PHE 15 HE1 PHE 15 5.625 -7.552 1.515
123 HE2 PHE 15 HE2 PHE 15 8.607 -8.324 -1.479
124 HZ PHE 15 HZ PHE 15 7.252 -9.092 0.451
125 H THR 16 HN THR 16 7.424 -1.307 -2.568
126 HA THR 16 HA THR 16 9.077 -1.884 -4.713
127 HB THR 16 HB THR 16 8.386 0.703 -3.308
128 HG1 THR 16 HG1 THR 16 6.634 0.161 -4.330
129 1HG2 THR 16 HG21 THR 16 9.965 0.263 -5.844
130 2HG2 THR 16 HG22 THR 16 10.394 1.263 -4.456
131 3HG2 THR 16 HG23 THR 16 9.089 1.761 -5.533
132 H GLN 17 HN GLN 17 10.067 -0.170 -1.727
133 HA GLN 17 HA GLN 17 12.855 -1.117 -2.174
134 1HB GLN 17 HB2 GLN 17 11.930 1.418 -2.916
135 2HB GLN 17 HB1 GLN 17 12.742 1.686 -1.373
136 1HG GLN 17 HG2 GLN 17 14.765 0.609 -2.198
137 2HG GLN 17 HG1 GLN 17 13.960 0.187 -3.710
138 1HE2 GLN 17 HE21 GLN 17 12.984 2.237 -4.891
139 2HE2 GLN 17 HE22 GLN 17 13.967 3.621 -4.897
140 H ALA 18 HN ALA 18 11.436 1.373 -0.042
141 HA ALA 18 HA ALA 18 11.716 -0.437 2.299
142 1HB ALA 18 HB1 ALA 18 13.407 0.816 3.299
143 2HB ALA 18 HB2 ALA 18 12.982 2.280 2.411
144 3HB ALA 18 HB3 ALA 18 13.851 0.977 1.600
145 1HN NH2 19 1HN NH2 19 9.717 1.549 0.690
146 2HN NH2 19 2HN NH2 19 8.905 2.318 1.968
Start of MODEL 9
1 1H SER 1 1H SER 1 -14.450 8.383 4.597
2 2H SER 1 2H SER 1 -13.002 8.847 3.840
3 3H SER 1 3H SER 1 -12.963 8.050 5.340
4 HA SER 1 HA SER 1 -13.528 5.998 4.430
5 1HB SER 1 HB2 SER 1 -14.612 5.903 2.203
6 2HB SER 1 HB1 SER 1 -15.498 6.963 3.295
7 HG SER 1 HG SER 1 -15.252 8.315 1.685
8 H GLY 2 HN GLY 2 -12.638 4.943 2.160
9 1HA GLY 2 HA2 GLY 2 -10.842 4.797 0.601
10 2HA GLY 2 HA1 GLY 2 -10.268 6.372 1.154
11 H THR 3 HN THR 3 -10.693 3.058 2.453
12 HA THR 3 HA THR 3 -8.281 3.482 4.155
13 HB THR 3 HB THR 3 -9.203 1.167 5.003
14 HG1 THR 3 HG1 THR 3 -11.648 1.493 4.557
15 1HG2 THR 3 HG21 THR 3 -9.866 3.918 5.552
16 2HG2 THR 3 HG22 THR 3 -9.758 2.561 6.675
17 3HG2 THR 3 HG23 THR 3 -11.275 2.897 5.839
18 H LEU 4 HN LEU 4 -9.632 0.835 2.138
19 HA LEU 4 HA LEU 4 -7.353 -0.762 1.893
20 1HB LEU 4 HB2 LEU 4 -9.891 -0.649 0.850
21 2HB LEU 4 HB1 LEU 4 -8.908 -0.361 -0.585
22 HG LEU 4 HG LEU 4 -7.505 -2.385 0.221
23 1HD1 LEU 4 HD11 LEU 4 -9.120 -2.214 2.417
24 2HD1 LEU 4 HD12 LEU 4 -8.280 -3.684 1.926
25 3HD1 LEU 4 HD13 LEU 4 -9.967 -3.440 1.475
26 1HD2 LEU 4 HD21 LEU 4 -8.640 -3.599 -1.340
27 2HD2 LEU 4 HD22 LEU 4 -9.590 -2.126 -1.543
28 3HD2 LEU 4 HD23 LEU 4 -10.179 -3.418 -0.495
29 H SER 5 HN SER 5 -8.299 1.927 -0.285
30 HA SER 5 HA SER 5 -6.188 1.912 -2.096
31 1HB SER 5 HB2 SER 5 -6.684 4.277 -2.348
32 2HB SER 5 HB1 SER 5 -8.189 3.443 -1.969
33 HG SER 5 HG SER 5 -7.329 5.470 -0.724
34 H THR 6 HN THR 6 -6.187 3.843 0.934
35 HA THR 6 HA THR 6 -3.492 4.665 0.873
36 HB THR 6 HB THR 6 -4.018 4.340 3.530
37 HG1 THR 6 HG1 THR 6 -6.566 4.792 2.506
38 1HG2 THR 6 HG21 THR 6 -5.615 6.471 2.243
39 2HG2 THR 6 HG22 THR 6 -3.919 6.410 1.765
40 3HG2 THR 6 HG23 THR 6 -4.350 6.594 3.465
41 H PHE 7 HN PHE 7 -4.752 1.940 2.849
42 HA PHE 7 HA PHE 7 -2.409 0.786 3.732
43 1HB PHE 7 HB2 PHE 7 -5.084 -0.179 2.864
44 2HB PHE 7 HB1 PHE 7 -3.843 -1.418 3.054
45 HD1 PHE 7 HD1 PHE 7 -3.858 1.735 4.974
46 HD2 PHE 7 HD2 PHE 7 -4.814 -2.452 5.027
47 HE1 PHE 7 HE1 PHE 7 -4.137 1.831 7.436
48 HE2 PHE 7 HE2 PHE 7 -5.093 -2.357 7.490
49 HZ PHE 7 HZ PHE 7 -4.755 -0.215 8.694
50 H PHE 8 HN PHE 8 -3.825 0.405 0.481
51 HA PHE 8 HA PHE 8 -1.798 -1.407 -0.501
52 1HB PHE 8 HB2 PHE 8 -4.019 -1.211 -1.492
53 2HB PHE 8 HB1 PHE 8 -3.745 0.495 -1.843
54 HD1 PHE 8 HD1 PHE 8 -2.893 -2.964 -2.781
55 HD2 PHE 8 HD2 PHE 8 -2.254 1.195 -3.646
56 HE1 PHE 8 HE1 PHE 8 -1.848 -3.575 -4.945
57 HE2 PHE 8 HE2 PHE 8 -1.210 0.584 -5.812
58 HZ PHE 8 HZ PHE 8 -1.007 -1.801 -6.461
59 H ARG 9 HN ARG 9 -2.137 2.118 -0.405
60 HA ARG 9 HA ARG 9 0.012 2.752 -2.210
61 1HB ARG 9 HB2 ARG 9 -1.909 4.184 -1.226
62 2HB ARG 9 HB1 ARG 9 -0.868 4.374 0.185
63 1HG ARG 9 HG2 ARG 9 0.189 6.043 -0.893
64 2HG ARG 9 HG1 ARG 9 0.780 4.854 -2.054
65 1HD ARG 9 HD2 ARG 9 -0.367 6.242 -3.517
66 2HD ARG 9 HD1 ARG 9 -1.715 5.193 -3.033
67 HE ARG 9 HE ARG 9 -2.166 6.920 -1.210
68 1HH1 ARG 9 HH21 ARG 9 0.452 8.277 -2.485
69 2HH1 ARG 9 HH22 ARG 9 -0.295 9.701 -3.129
70 1HH2 ARG 9 HH11 ARG 9 -3.527 8.506 -2.729
71 2HH2 ARG 9 HH12 ARG 9 -2.549 9.830 -3.268
72 H LEU 10 HN LEU 10 -0.126 2.443 1.350
73 HA LEU 10 HA LEU 10 2.689 2.983 1.758
74 1HB LEU 10 HB2 LEU 10 0.854 3.254 3.431
75 2HB LEU 10 HB1 LEU 10 0.662 1.501 3.467
76 HG LEU 10 HG LEU 10 3.412 2.557 3.899
77 1HD1 LEU 10 HD11 LEU 10 2.138 4.098 5.282
78 2HD1 LEU 10 HD12 LEU 10 2.894 2.898 6.330
79 3HD1 LEU 10 HD13 LEU 10 1.179 2.773 5.940
80 1HD2 LEU 10 HD21 LEU 10 1.722 0.380 5.174
81 2HD2 LEU 10 HD22 LEU 10 3.426 0.672 5.519
82 3HD2 LEU 10 HD23 LEU 10 2.930 0.145 3.910
83 H PHE 11 HN PHE 11 0.757 0.021 1.356
84 HA PHE 11 HA PHE 11 2.850 -1.850 1.980
85 1HB PHE 11 HB2 PHE 11 0.167 -1.796 0.715
86 2HB PHE 11 HB1 PHE 11 1.189 -3.160 0.259
87 HD1 PHE 11 HD1 PHE 11 -1.402 -2.700 2.229
88 HD2 PHE 11 HD2 PHE 11 2.774 -3.578 2.716
89 HE1 PHE 11 HE1 PHE 11 -1.885 -3.791 4.402
90 HE2 PHE 11 HE2 PHE 11 2.291 -4.670 4.890
91 HZ PHE 11 HZ PHE 11 -0.039 -4.777 5.732
92 H ASN 12 HN ASN 12 1.605 -0.687 -1.178
93 HA ASN 12 HA ASN 12 3.567 -2.039 -2.777
94 1HB ASN 12 HB2 ASN 12 1.300 -0.952 -3.375
95 2HB ASN 12 HB1 ASN 12 2.189 0.570 -3.439
96 1HD2 ASN 12 HD21 ASN 12 2.048 -2.697 -4.899
97 2HD2 ASN 12 HD22 ASN 12 2.839 -2.261 -6.337
98 H ARG 13 HN ARG 13 3.448 1.259 -1.413
99 HA ARG 13 HA ARG 13 5.813 2.282 -2.625
100 1HB ARG 13 HB2 ARG 13 4.298 3.752 -1.520
101 2HB ARG 13 HB1 ARG 13 4.335 2.797 -0.037
102 1HG ARG 13 HG2 ARG 13 6.981 3.755 -0.893
103 2HG ARG 13 HG1 ARG 13 5.853 5.048 -0.486
104 1HD ARG 13 HD2 ARG 13 5.338 3.593 1.635
105 2HD ARG 13 HD1 ARG 13 6.907 2.844 1.276
106 HE ARG 13 HE ARG 13 7.561 5.458 1.069
107 1HH1 ARG 13 HH11 ARG 13 7.271 3.442 3.622
108 2HH1 ARG 13 HH12 ARG 13 6.924 4.647 4.817
109 1HH2 ARG 13 HH21 ARG 13 6.407 7.174 2.501
110 2HH2 ARG 13 HH22 ARG 13 6.435 6.760 4.183
111 H SER 14 HN SER 14 5.379 0.660 0.544
112 HA SER 14 HA SER 14 8.162 0.705 1.270
113 1HB SER 14 HB2 SER 14 6.544 0.375 2.971
114 2HB SER 14 HB1 SER 14 5.714 -0.880 2.057
115 HG SER 14 HG SER 14 8.233 -0.995 3.351
116 H PHE 15 HN PHE 15 6.147 -1.657 -0.468
117 HA PHE 15 HA PHE 15 8.020 -3.807 -0.567
118 1HB PHE 15 HB2 PHE 15 5.494 -3.565 -1.218
119 2HB PHE 15 HB1 PHE 15 6.123 -3.103 -2.799
120 HD1 PHE 15 HD1 PHE 15 8.400 -4.736 -3.289
121 HD2 PHE 15 HD2 PHE 15 4.775 -5.782 -1.235
122 HE1 PHE 15 HE1 PHE 15 8.779 -7.124 -3.839
123 HE2 PHE 15 HE2 PHE 15 5.154 -8.171 -1.785
124 HZ PHE 15 HZ PHE 15 7.156 -8.842 -3.087
125 H THR 16 HN THR 16 7.421 -1.153 -2.900
126 HA THR 16 HA THR 16 9.306 -1.845 -4.873
127 HB THR 16 HB THR 16 8.987 1.008 -4.028
128 HG1 THR 16 HG1 THR 16 6.918 0.826 -3.903
129 1HG2 THR 16 HG21 THR 16 8.188 0.002 -6.697
130 2HG2 THR 16 HG22 THR 16 9.892 -0.195 -6.284
131 3HG2 THR 16 HG23 THR 16 9.160 1.410 -6.267
132 H GLN 17 HN GLN 17 9.809 -0.329 -1.719
133 HA GLN 17 HA GLN 17 12.584 0.409 -2.218
134 1HB GLN 17 HB2 GLN 17 11.329 1.641 -0.602
135 2HB GLN 17 HB1 GLN 17 10.785 0.167 0.202
136 1HG GLN 17 HG2 GLN 17 12.784 -0.136 1.307
137 2HG GLN 17 HG1 GLN 17 13.727 0.621 0.023
138 1HE2 GLN 17 HE21 GLN 17 11.271 1.507 2.518
139 2HE2 GLN 17 HE22 GLN 17 11.920 3.045 2.818
140 H ALA 18 HN ALA 18 11.223 -1.935 0.132
141 HA ALA 18 HA ALA 18 13.307 -3.907 -0.653
142 1HB ALA 18 HB1 ALA 18 14.593 -3.192 1.073
143 2HB ALA 18 HB2 ALA 18 13.372 -3.883 2.139
144 3HB ALA 18 HB3 ALA 18 13.295 -2.176 1.702
145 1HN NH2 19 1HN NH2 19 11.434 -5.249 -1.319
146 2HN NH2 19 2HN NH2 19 10.417 -5.962 -0.162
Start of MODEL 10
1 1H SER 1 1H SER 1 -11.455 8.010 0.314
2 2H SER 1 2H SER 1 -11.491 8.461 1.951
3 3H SER 1 3H SER 1 -12.274 9.418 0.786
4 HA SER 1 HA SER 1 -13.730 7.886 2.205
5 1HB SER 1 HB2 SER 1 -14.849 7.279 -0.161
6 2HB SER 1 HB1 SER 1 -14.808 8.930 0.452
7 HG SER 1 HG SER 1 -13.595 7.858 -1.714
8 H GLY 2 HN GLY 2 -11.504 6.286 2.472
9 1HA GLY 2 HA2 GLY 2 -12.373 3.678 2.427
10 2HA GLY 2 HA1 GLY 2 -11.716 3.894 0.805
11 H THR 3 HN THR 3 -10.823 2.467 3.461
12 HA THR 3 HA THR 3 -8.177 3.703 3.900
13 HB THR 3 HB THR 3 -8.173 1.406 5.324
14 HG1 THR 3 HG1 THR 3 -10.093 0.620 4.587
15 1HG2 THR 3 HG21 THR 3 -9.180 4.143 5.773
16 2HG2 THR 3 HG22 THR 3 -8.035 3.195 6.720
17 3HG2 THR 3 HG23 THR 3 -9.768 2.945 6.924
18 H LEU 4 HN LEU 4 -9.561 0.802 2.385
19 HA LEU 4 HA LEU 4 -7.381 -0.816 1.895
20 1HB LEU 4 HB2 LEU 4 -9.952 -0.273 0.768
21 2HB LEU 4 HB1 LEU 4 -8.814 -0.484 -0.563
22 HG LEU 4 HG LEU 4 -7.993 -2.563 0.773
23 1HD1 LEU 4 HD11 LEU 4 -10.537 -1.795 2.158
24 2HD1 LEU 4 HD12 LEU 4 -9.057 -2.476 2.834
25 3HD1 LEU 4 HD13 LEU 4 -10.177 -3.509 1.945
26 1HD2 LEU 4 HD21 LEU 4 -10.745 -3.087 -0.194
27 2HD2 LEU 4 HD22 LEU 4 -9.219 -3.812 -0.698
28 3HD2 LEU 4 HD23 LEU 4 -9.696 -2.236 -1.327
29 H SER 5 HN SER 5 -8.305 1.980 -0.160
30 HA SER 5 HA SER 5 -6.223 1.951 -2.014
31 1HB SER 5 HB2 SER 5 -7.328 4.389 -0.587
32 2HB SER 5 HB1 SER 5 -6.680 4.329 -2.224
33 HG SER 5 HG SER 5 -9.049 4.217 -1.967
34 H THR 6 HN THR 6 -6.149 3.868 1.023
35 HA THR 6 HA THR 6 -3.457 4.659 0.948
36 HB THR 6 HB THR 6 -4.007 4.165 3.622
37 HG1 THR 6 HG1 THR 6 -6.369 4.989 3.382
38 1HG2 THR 6 HG21 THR 6 -4.171 6.381 1.723
39 2HG2 THR 6 HG22 THR 6 -3.571 6.367 3.382
40 3HG2 THR 6 HG23 THR 6 -5.297 6.558 3.070
41 H PHE 7 HN PHE 7 -4.662 1.914 2.925
42 HA PHE 7 HA PHE 7 -2.296 0.728 3.695
43 1HB PHE 7 HB2 PHE 7 -5.007 0.047 3.484
44 2HB PHE 7 HB1 PHE 7 -4.162 -1.245 2.630
45 HD1 PHE 7 HD1 PHE 7 -3.657 0.822 5.729
46 HD2 PHE 7 HD2 PHE 7 -3.537 -3.072 3.920
47 HE1 PHE 7 HE1 PHE 7 -2.967 -0.165 7.898
48 HE2 PHE 7 HE2 PHE 7 -2.846 -4.058 6.089
49 HZ PHE 7 HZ PHE 7 -2.562 -2.605 8.077
50 H PHE 8 HN PHE 8 -3.848 0.397 0.499
51 HA PHE 8 HA PHE 8 -1.894 -1.433 -0.586
52 1HB PHE 8 HB2 PHE 8 -4.169 0.252 -1.482
53 2HB PHE 8 HB1 PHE 8 -2.992 -0.161 -2.730
54 HD1 PHE 8 HD1 PHE 8 -2.928 -2.329 -3.679
55 HD2 PHE 8 HD2 PHE 8 -5.165 -1.635 -0.079
56 HE1 PHE 8 HE1 PHE 8 -3.892 -4.608 -3.839
57 HE2 PHE 8 HE2 PHE 8 -6.130 -3.914 -0.239
58 HZ PHE 8 HZ PHE 8 -5.494 -5.400 -2.118
59 H ARG 9 HN ARG 9 -2.135 2.094 -0.396
60 HA ARG 9 HA ARG 9 -0.001 2.664 -2.270
61 1HB ARG 9 HB2 ARG 9 -1.941 4.115 -1.281
62 2HB ARG 9 HB1 ARG 9 -0.821 4.403 0.051
63 1HG ARG 9 HG2 ARG 9 0.328 5.897 -1.176
64 2HG ARG 9 HG1 ARG 9 0.563 4.710 -2.460
65 1HD ARG 9 HD2 ARG 9 -0.896 5.864 -3.750
66 2HD ARG 9 HD1 ARG 9 -2.170 5.553 -2.555
67 HE ARG 9 HE ARG 9 -0.346 7.919 -2.514
68 1HH1 ARG 9 HH11 ARG 9 -3.460 7.694 -2.930
69 2HH1 ARG 9 HH12 ARG 9 -3.993 8.355 -1.419
70 1HH2 ARG 9 HH21 ARG 9 -0.877 8.125 0.085
71 2HH2 ARG 9 HH22 ARG 9 -2.531 8.598 0.287
72 H LEU 10 HN LEU 10 -0.156 2.483 1.300
73 HA LEU 10 HA LEU 10 2.641 3.049 1.726
74 1HB LEU 10 HB2 LEU 10 0.546 3.116 3.289
75 2HB LEU 10 HB1 LEU 10 0.884 1.403 3.541
76 HG LEU 10 HG LEU 10 3.375 2.444 3.866
77 1HD1 LEU 10 HD11 LEU 10 1.944 4.406 5.512
78 2HD1 LEU 10 HD12 LEU 10 1.793 4.714 3.783
79 3HD1 LEU 10 HD13 LEU 10 3.390 4.612 4.524
80 1HD2 LEU 10 HD21 LEU 10 2.942 1.211 5.709
81 2HD2 LEU 10 HD22 LEU 10 1.207 1.485 5.554
82 3HD2 LEU 10 HD23 LEU 10 2.211 2.654 6.410
83 H PHE 11 HN PHE 11 0.777 0.044 1.322
84 HA PHE 11 HA PHE 11 2.943 -1.757 1.955
85 1HB PHE 11 HB2 PHE 11 0.277 -1.957 1.634
86 2HB PHE 11 HB1 PHE 11 0.784 -2.505 0.036
87 HD1 PHE 11 HD1 PHE 11 2.440 -4.414 -0.146
88 HD2 PHE 11 HD2 PHE 11 0.527 -3.347 3.548
89 HE1 PHE 11 HE1 PHE 11 3.026 -6.631 0.798
90 HE2 PHE 11 HE2 PHE 11 1.112 -5.564 4.492
91 HZ PHE 11 HZ PHE 11 2.362 -7.206 3.117
92 H ASN 12 HN ASN 12 1.641 -0.514 -1.137
93 HA ASN 12 HA ASN 12 3.464 -1.936 -2.841
94 1HB ASN 12 HB2 ASN 12 1.507 0.279 -2.969
95 2HB ASN 12 HB1 ASN 12 2.763 0.334 -4.207
96 1HD2 ASN 12 HD21 ASN 12 1.396 -2.627 -2.729
97 2HD2 ASN 12 HD22 ASN 12 0.730 -3.229 -4.170
98 H ARG 13 HN ARG 13 3.552 1.381 -1.497
99 HA ARG 13 HA ARG 13 6.020 2.168 -2.721
100 1HB ARG 13 HB2 ARG 13 4.087 3.411 -1.377
101 2HB ARG 13 HB1 ARG 13 5.175 3.141 -0.015
102 1HG ARG 13 HG2 ARG 13 6.696 4.072 -2.275
103 2HG ARG 13 HG1 ARG 13 5.352 5.175 -1.981
104 1HD ARG 13 HD2 ARG 13 7.399 4.267 0.077
105 2HD ARG 13 HD1 ARG 13 7.252 5.893 -0.620
106 HE ARG 13 HE ARG 13 5.635 4.892 1.521
107 1HH1 ARG 13 HH21 ARG 13 5.920 7.247 -0.893
108 2HH1 ARG 13 HH22 ARG 13 4.305 7.850 -0.725
109 1HH2 ARG 13 HH11 ARG 13 3.332 5.375 1.502
110 2HH2 ARG 13 HH12 ARG 13 2.840 6.790 0.631
111 H SER 14 HN SER 14 5.304 0.671 0.443
112 HA SER 14 HA SER 14 7.981 0.702 1.461
113 1HB SER 14 HB2 SER 14 5.452 -0.847 1.946
114 2HB SER 14 HB1 SER 14 6.930 -1.325 2.776
115 HG SER 14 HG SER 14 6.089 1.366 2.725
116 H PHE 15 HN PHE 15 6.164 -1.821 -0.315
117 HA PHE 15 HA PHE 15 8.339 -3.722 -0.360
118 1HB PHE 15 HB2 PHE 15 5.627 -3.600 -1.001
119 2HB PHE 15 HB1 PHE 15 6.415 -3.866 -2.557
120 HD1 PHE 15 HD1 PHE 15 5.325 -5.391 0.495
121 HD2 PHE 15 HD2 PHE 15 8.201 -5.739 -2.677
122 HE1 PHE 15 HE1 PHE 15 5.683 -7.773 1.081
123 HE2 PHE 15 HE2 PHE 15 8.559 -8.122 -2.089
124 HZ PHE 15 HZ PHE 15 7.301 -9.139 -0.210
125 H THR 16 HN THR 16 7.408 -1.019 -2.416
126 HA THR 16 HA THR 16 9.223 -1.791 -4.599
127 HB THR 16 HB THR 16 7.604 0.702 -3.981
128 HG1 THR 16 HG1 THR 16 6.040 -0.446 -4.731
129 1HG2 THR 16 HG21 THR 16 7.917 0.787 -6.635
130 2HG2 THR 16 HG22 THR 16 9.413 -0.053 -6.227
131 3HG2 THR 16 HG23 THR 16 9.080 1.535 -5.539
132 H GLN 17 HN GLN 17 9.276 0.297 -1.765
133 HA GLN 17 HA GLN 17 11.845 1.533 -2.608
134 1HB GLN 17 HB2 GLN 17 9.702 2.599 -1.462
135 2HB GLN 17 HB1 GLN 17 10.464 2.005 0.014
136 1HG GLN 17 HG2 GLN 17 12.451 3.273 -1.642
137 2HG GLN 17 HG1 GLN 17 11.091 4.372 -1.407
138 1HE2 GLN 17 HE21 GLN 17 10.313 4.481 1.008
139 2HE2 GLN 17 HE22 GLN 17 11.533 4.480 2.189
140 H ALA 18 HN ALA 18 10.743 -1.162 -0.839
141 HA ALA 18 HA ALA 18 11.869 -2.690 0.569
142 1HB ALA 18 HB1 ALA 18 13.545 -2.980 -0.995
143 2HB ALA 18 HB2 ALA 18 14.505 -2.248 0.289
144 3HB ALA 18 HB3 ALA 18 13.928 -1.260 -1.052
145 1HN NH2 19 1HN NH2 19 10.850 -0.605 2.073
146 2HN NH2 19 2HN NH2 19 11.974 -0.075 3.229
Start of MODEL 11
1 1H SER 1 1H SER 1 -11.099 -3.935 4.354
2 2H SER 1 2H SER 1 -11.534 -3.054 2.968
3 3H SER 1 3H SER 1 -11.914 -4.706 3.082
4 HA SER 1 HA SER 1 -13.942 -3.886 3.668
5 1HB SER 1 HB2 SER 1 -13.518 -3.456 6.351
6 2HB SER 1 HB1 SER 1 -13.648 -5.047 5.606
7 HG SER 1 HG SER 1 -11.623 -4.172 6.909
8 H GLY 2 HN GLY 2 -14.138 -1.816 2.586
9 1HA GLY 2 HA2 GLY 2 -15.051 0.401 3.443
10 2HA GLY 2 HA1 GLY 2 -13.533 0.538 4.332
11 H THR 3 HN THR 3 -11.550 0.090 2.712
12 HA THR 3 HA THR 3 -11.980 1.191 0.014
13 HB THR 3 HB THR 3 -10.098 2.750 1.727
14 HG1 THR 3 HG1 THR 3 -11.672 3.006 3.112
15 1HG2 THR 3 HG21 THR 3 -10.260 4.170 -0.011
16 2HG2 THR 3 HG22 THR 3 -12.017 4.213 0.125
17 3HG2 THR 3 HG23 THR 3 -11.237 2.953 -0.833
18 H LEU 4 HN LEU 4 -9.364 0.876 2.454
19 HA LEU 4 HA LEU 4 -7.366 -0.404 2.364
20 1HB LEU 4 HB2 LEU 4 -9.261 -1.790 0.895
21 2HB LEU 4 HB1 LEU 4 -7.938 -1.604 -0.257
22 HG LEU 4 HG LEU 4 -6.756 -2.272 2.232
23 1HD1 LEU 4 HD11 LEU 4 -8.935 -4.236 1.480
24 2HD1 LEU 4 HD12 LEU 4 -9.101 -3.070 2.794
25 3HD1 LEU 4 HD13 LEU 4 -7.853 -4.314 2.870
26 1HD2 LEU 4 HD21 LEU 4 -6.654 -3.010 -0.478
27 2HD2 LEU 4 HD22 LEU 4 -7.017 -4.503 0.388
28 3HD2 LEU 4 HD23 LEU 4 -5.580 -3.568 0.805
29 H SER 5 HN SER 5 -8.305 1.978 0.214
30 HA SER 5 HA SER 5 -6.391 1.959 -1.863
31 1HB SER 5 HB2 SER 5 -6.779 4.442 -1.786
32 2HB SER 5 HB1 SER 5 -8.269 3.504 -1.733
33 HG SER 5 HG SER 5 -8.220 5.145 -0.137
34 H THR 6 HN THR 6 -6.111 3.981 1.084
35 HA THR 6 HA THR 6 -3.406 4.657 0.864
36 HB THR 6 HB THR 6 -3.761 4.395 3.555
37 HG1 THR 6 HG1 THR 6 -6.143 4.963 3.627
38 1HG2 THR 6 HG21 THR 6 -5.371 6.601 2.682
39 2HG2 THR 6 HG22 THR 6 -4.011 6.417 1.574
40 3HG2 THR 6 HG23 THR 6 -3.721 6.626 3.301
41 H PHE 7 HN PHE 7 -4.669 1.963 2.881
42 HA PHE 7 HA PHE 7 -2.330 0.739 3.686
43 1HB PHE 7 HB2 PHE 7 -5.067 0.085 3.357
44 2HB PHE 7 HB1 PHE 7 -4.155 -1.250 2.649
45 HD1 PHE 7 HD1 PHE 7 -4.186 -2.987 4.230
46 HD2 PHE 7 HD2 PHE 7 -3.308 1.021 5.502
47 HE1 PHE 7 HE1 PHE 7 -3.645 -3.825 6.500
48 HE2 PHE 7 HE2 PHE 7 -2.767 0.182 7.772
49 HZ PHE 7 HZ PHE 7 -2.936 -2.241 8.271
50 H PHE 8 HN PHE 8 -3.862 0.421 0.478
51 HA PHE 8 HA PHE 8 -1.901 -1.424 -0.582
52 1HB PHE 8 HB2 PHE 8 -4.318 -0.069 -1.351
53 2HB PHE 8 HB1 PHE 8 -3.120 0.147 -2.627
54 HD1 PHE 8 HD1 PHE 8 -4.475 -2.518 -0.357
55 HD2 PHE 8 HD2 PHE 8 -2.841 -1.547 -4.209
56 HE1 PHE 8 HE1 PHE 8 -4.847 -4.853 -1.103
57 HE2 PHE 8 HE2 PHE 8 -3.214 -3.881 -4.956
58 HZ PHE 8 HZ PHE 8 -4.217 -5.535 -3.404
59 H ARG 9 HN ARG 9 -2.187 2.109 -0.474
60 HA ARG 9 HA ARG 9 -0.057 2.687 -2.333
61 1HB ARG 9 HB2 ARG 9 -1.998 4.115 -1.248
62 2HB ARG 9 HB1 ARG 9 -0.793 4.436 -0.002
63 1HG ARG 9 HG2 ARG 9 0.272 5.907 -1.332
64 2HG ARG 9 HG1 ARG 9 0.399 4.708 -2.620
65 1HD ARG 9 HD2 ARG 9 -1.985 6.515 -2.073
66 2HD ARG 9 HD1 ARG 9 -0.898 6.585 -3.474
67 HE ARG 9 HE ARG 9 -1.679 4.181 -3.932
68 1HH1 ARG 9 HH11 ARG 9 -3.444 5.484 -1.401
69 2HH1 ARG 9 HH12 ARG 9 -5.003 5.184 -2.095
70 1HH2 ARG 9 HH21 ARG 9 -3.738 4.211 -5.174
71 2HH2 ARG 9 HH22 ARG 9 -5.169 4.463 -4.231
72 H LEU 10 HN LEU 10 -0.170 2.485 1.238
73 HA LEU 10 HA LEU 10 2.635 3.038 1.632
74 1HB LEU 10 HB2 LEU 10 0.848 3.307 3.327
75 2HB LEU 10 HB1 LEU 10 0.593 1.562 3.329
76 HG LEU 10 HG LEU 10 3.391 2.430 3.758
77 1HD1 LEU 10 HD11 LEU 10 2.076 4.127 5.045
78 2HD1 LEU 10 HD12 LEU 10 3.035 3.068 6.081
79 3HD1 LEU 10 HD13 LEU 10 1.298 2.808 5.919
80 1HD2 LEU 10 HD21 LEU 10 1.591 0.531 5.293
81 2HD2 LEU 10 HD22 LEU 10 3.354 0.578 5.319
82 3HD2 LEU 10 HD23 LEU 10 2.507 0.065 3.859
83 H PHE 11 HN PHE 11 0.746 0.038 1.290
84 HA PHE 11 HA PHE 11 2.868 -1.796 1.889
85 1HB PHE 11 HB2 PHE 11 0.250 -2.014 1.581
86 2HB PHE 11 HB1 PHE 11 0.684 -2.372 -0.091
87 HD1 PHE 11 HD1 PHE 11 1.105 -3.446 3.432
88 HD2 PHE 11 HD2 PHE 11 1.770 -4.431 -0.695
89 HE1 PHE 11 HE1 PHE 11 1.707 -5.762 4.083
90 HE2 PHE 11 HE2 PHE 11 2.371 -6.747 -0.045
91 HZ PHE 11 HZ PHE 11 2.340 -7.413 2.344
92 H ASN 12 HN ASN 12 1.693 -0.439 -1.204
93 HA ASN 12 HA ASN 12 3.554 -1.861 -2.880
94 1HB ASN 12 HB2 ASN 12 1.487 -0.858 -3.699
95 2HB ASN 12 HB1 ASN 12 2.029 0.744 -3.197
96 1HD2 ASN 12 HD21 ASN 12 2.840 -1.935 -5.447
97 2HD2 ASN 12 HD22 ASN 12 3.643 -0.952 -6.572
98 H ARG 13 HN ARG 13 3.587 1.474 -1.568
99 HA ARG 13 HA ARG 13 6.086 2.276 -2.672
100 1HB ARG 13 HB2 ARG 13 4.617 3.902 -1.749
101 2HB ARG 13 HB1 ARG 13 4.479 3.025 -0.225
102 1HG ARG 13 HG2 ARG 13 7.240 3.764 -0.934
103 2HG ARG 13 HG1 ARG 13 6.177 5.143 -0.652
104 1HD ARG 13 HD2 ARG 13 5.586 4.331 1.553
105 2HD ARG 13 HD1 ARG 13 6.441 2.802 1.267
106 HE ARG 13 HE ARG 13 8.553 4.037 1.275
107 1HH1 ARG 13 HH21 ARG 13 6.897 6.623 0.499
108 2HH1 ARG 13 HH22 ARG 13 7.239 7.592 1.893
109 1HH2 ARG 13 HH11 ARG 13 8.498 4.949 3.752
110 2HH2 ARG 13 HH12 ARG 13 8.145 6.645 3.735
111 H SER 14 HN SER 14 5.303 0.571 0.353
112 HA SER 14 HA SER 14 7.986 0.611 1.427
113 1HB SER 14 HB2 SER 14 5.388 -0.785 1.910
114 2HB SER 14 HB1 SER 14 6.831 -1.477 2.646
115 HG SER 14 HG SER 14 6.565 0.021 4.091
116 H PHE 15 HN PHE 15 6.115 -1.899 -0.320
117 HA PHE 15 HA PHE 15 8.119 -3.909 -0.374
118 1HB PHE 15 HB2 PHE 15 5.536 -3.515 -1.285
119 2HB PHE 15 HB1 PHE 15 6.454 -3.659 -2.784
120 HD1 PHE 15 HD1 PHE 15 5.803 -5.324 0.489
121 HD2 PHE 15 HD2 PHE 15 7.275 -5.757 -3.523
122 HE1 PHE 15 HE1 PHE 15 5.938 -7.780 0.804
123 HE2 PHE 15 HE2 PHE 15 7.410 -8.214 -3.208
124 HZ PHE 15 HZ PHE 15 6.741 -9.225 -1.045
125 H THR 16 HN THR 16 7.474 -1.243 -2.664
126 HA THR 16 HA THR 16 9.510 -1.952 -4.562
127 HB THR 16 HB THR 16 8.111 0.631 -3.811
128 HG1 THR 16 HG1 THR 16 6.643 -0.549 -4.780
129 1HG2 THR 16 HG21 THR 16 10.437 0.262 -5.440
130 2HG2 THR 16 HG22 THR 16 9.525 1.745 -5.154
131 3HG2 THR 16 HG23 THR 16 9.080 0.679 -6.487
132 H GLN 17 HN GLN 17 9.648 -0.468 -1.430
133 HA GLN 17 HA GLN 17 12.257 0.828 -1.883
134 1HB GLN 17 HB2 GLN 17 10.603 1.851 -0.421
135 2HB GLN 17 HB1 GLN 17 10.484 0.376 0.538
136 1HG GLN 17 HG2 GLN 17 12.999 0.651 0.981
137 2HG GLN 17 HG1 GLN 17 12.817 2.286 0.341
138 1HE2 GLN 17 HE21 GLN 17 13.510 1.731 3.109
139 2HE2 GLN 17 HE22 GLN 17 12.234 2.294 4.077
140 H ALA 18 HN ALA 18 11.024 -1.836 0.184
141 HA ALA 18 HA ALA 18 13.735 -2.712 0.868
142 1HB ALA 18 HB1 ALA 18 12.439 -3.396 2.593
143 2HB ALA 18 HB2 ALA 18 11.859 -4.687 1.540
144 3HB ALA 18 HB3 ALA 18 10.966 -3.169 1.647
145 1HN NH2 19 1HN NH2 19 14.646 -3.295 -1.273
146 2HN NH2 19 2HN NH2 19 14.125 -4.686 -2.093
Start of MODEL 12
1 1H SER 1 1H SER 1 -12.332 9.421 4.944
2 2H SER 1 2H SER 1 -13.343 8.364 5.806
3 3H SER 1 3H SER 1 -12.780 7.935 4.262
4 HA SER 1 HA SER 1 -10.762 8.508 6.306
5 1HB SER 1 HB2 SER 1 -12.769 6.265 6.288
6 2HB SER 1 HB1 SER 1 -11.154 5.990 6.930
7 HG SER 1 HG SER 1 -11.578 7.958 8.208
8 H GLY 2 HN GLY 2 -12.040 6.069 4.001
9 1HA GLY 2 HA2 GLY 2 -10.953 4.883 2.293
10 2HA GLY 2 HA1 GLY 2 -9.915 6.301 2.134
11 H THR 3 HN THR 3 -10.167 3.093 3.426
12 HA THR 3 HA THR 3 -7.449 3.355 4.661
13 HB THR 3 HB THR 3 -9.525 1.176 5.024
14 HG1 THR 3 HG1 THR 3 -10.573 2.537 6.199
15 1HG2 THR 3 HG21 THR 3 -8.084 0.287 6.518
16 2HG2 THR 3 HG22 THR 3 -7.731 1.861 7.230
17 3HG2 THR 3 HG23 THR 3 -6.865 1.331 5.787
18 H LEU 4 HN LEU 4 -9.459 1.151 2.676
19 HA LEU 4 HA LEU 4 -7.545 -0.783 1.998
20 1HB LEU 4 HB2 LEU 4 -10.097 -0.339 1.392
21 2HB LEU 4 HB1 LEU 4 -9.396 0.318 -0.088
22 HG LEU 4 HG LEU 4 -7.989 -1.941 0.000
23 1HD1 LEU 4 HD11 LEU 4 -10.371 -3.329 0.849
24 2HD1 LEU 4 HD12 LEU 4 -9.808 -2.270 2.143
25 3HD1 LEU 4 HD13 LEU 4 -8.724 -3.485 1.464
26 1HD2 LEU 4 HD21 LEU 4 -10.174 -0.984 -1.439
27 2HD2 LEU 4 HD22 LEU 4 -10.697 -2.580 -0.899
28 3HD2 LEU 4 HD23 LEU 4 -9.217 -2.409 -1.843
29 H SER 5 HN SER 5 -8.350 2.048 -0.060
30 HA SER 5 HA SER 5 -6.274 1.859 -1.917
31 1HB SER 5 HB2 SER 5 -7.301 4.405 -0.631
32 2HB SER 5 HB1 SER 5 -6.683 4.221 -2.269
33 HG SER 5 HG SER 5 -9.112 3.384 -1.145
34 H THR 6 HN THR 6 -6.150 3.932 1.015
35 HA THR 6 HA THR 6 -3.459 4.685 0.910
36 HB THR 6 HB THR 6 -3.904 4.349 3.581
37 HG1 THR 6 HG1 THR 6 -5.821 3.346 3.480
38 1HG2 THR 6 HG21 THR 6 -3.996 6.592 3.436
39 2HG2 THR 6 HG22 THR 6 -5.547 6.523 2.598
40 3HG2 THR 6 HG23 THR 6 -4.044 6.414 1.682
41 H PHE 7 HN PHE 7 -4.675 1.963 2.913
42 HA PHE 7 HA PHE 7 -2.312 0.782 3.708
43 1HB PHE 7 HB2 PHE 7 -5.024 0.102 3.485
44 2HB PHE 7 HB1 PHE 7 -4.172 -1.200 2.654
45 HD1 PHE 7 HD1 PHE 7 -4.056 0.823 5.807
46 HD2 PHE 7 HD2 PHE 7 -3.192 -2.926 3.898
47 HE1 PHE 7 HE1 PHE 7 -3.386 -0.136 7.994
48 HE2 PHE 7 HE2 PHE 7 -2.522 -3.885 6.084
49 HZ PHE 7 HZ PHE 7 -2.618 -2.491 8.132
50 H PHE 8 HN PHE 8 -3.853 0.442 0.510
51 HA PHE 8 HA PHE 8 -1.909 -1.404 -0.564
52 1HB PHE 8 HB2 PHE 8 -4.351 -0.540 -1.275
53 2HB PHE 8 HB1 PHE 8 -3.387 0.536 -2.288
54 HD1 PHE 8 HD1 PHE 8 -4.562 -2.861 -1.784
55 HD2 PHE 8 HD2 PHE 8 -1.706 -0.442 -3.892
56 HE1 PHE 8 HE1 PHE 8 -4.177 -4.713 -3.387
57 HE2 PHE 8 HE2 PHE 8 -1.320 -2.294 -5.495
58 HZ PHE 8 HZ PHE 8 -2.556 -4.430 -5.243
59 H ARG 9 HN ARG 9 -2.135 2.129 -0.403
60 HA ARG 9 HA ARG 9 0.005 2.696 -2.257
61 1HB ARG 9 HB2 ARG 9 -1.920 4.136 -1.140
62 2HB ARG 9 HB1 ARG 9 -0.690 4.440 0.086
63 1HG ARG 9 HG2 ARG 9 0.867 5.037 -1.878
64 2HG ARG 9 HG1 ARG 9 -0.600 5.108 -2.855
65 1HD ARG 9 HD2 ARG 9 -1.477 6.649 -0.888
66 2HD ARG 9 HD1 ARG 9 0.258 6.899 -0.603
67 HE ARG 9 HE ARG 9 -0.478 7.110 -3.421
68 1HH1 ARG 9 HH21 ARG 9 -1.947 9.020 -1.330
69 2HH1 ARG 9 HH22 ARG 9 -1.024 10.460 -1.602
70 1HH2 ARG 9 HH11 ARG 9 1.475 8.841 -3.379
71 2HH2 ARG 9 HH12 ARG 9 0.913 10.359 -2.763
72 H LEU 10 HN LEU 10 -0.123 2.372 1.300
73 HA LEU 10 HA LEU 10 2.690 2.915 1.712
74 1HB LEU 10 HB2 LEU 10 0.673 3.034 3.321
75 2HB LEU 10 HB1 LEU 10 0.855 1.288 3.481
76 HG LEU 10 HG LEU 10 3.403 1.955 3.892
77 1HD1 LEU 10 HD11 LEU 10 2.489 4.443 3.555
78 2HD1 LEU 10 HD12 LEU 10 3.780 4.085 4.702
79 3HD1 LEU 10 HD13 LEU 10 2.122 4.276 5.271
80 1HD2 LEU 10 HD21 LEU 10 3.005 1.589 6.180
81 2HD2 LEU 10 HD22 LEU 10 1.592 0.856 5.424
82 3HD2 LEU 10 HD23 LEU 10 1.471 2.459 6.149
83 H PHE 11 HN PHE 11 0.770 -0.047 1.260
84 HA PHE 11 HA PHE 11 2.881 -1.915 1.844
85 1HB PHE 11 HB2 PHE 11 0.164 -1.932 1.247
86 2HB PHE 11 HB1 PHE 11 0.891 -2.736 -0.145
87 HD1 PHE 11 HD1 PHE 11 1.592 -4.977 0.004
88 HD2 PHE 11 HD2 PHE 11 0.893 -2.728 3.596
89 HE1 PHE 11 HE1 PHE 11 1.905 -7.035 1.353
90 HE2 PHE 11 HE2 PHE 11 1.206 -4.785 4.945
91 HZ PHE 11 HZ PHE 11 1.711 -6.939 3.824
92 H ASN 12 HN ASN 12 1.696 -0.494 -1.215
93 HA ASN 12 HA ASN 12 3.550 -1.905 -2.918
94 1HB ASN 12 HB2 ASN 12 1.430 -0.887 -3.658
95 2HB ASN 12 HB1 ASN 12 2.046 0.713 -3.247
96 1HD2 ASN 12 HD21 ASN 12 3.184 1.801 -4.874
97 2HD2 ASN 12 HD22 ASN 12 3.760 1.075 -6.296
98 H ARG 13 HN ARG 13 3.542 1.446 -1.641
99 HA ARG 13 HA ARG 13 6.023 2.277 -2.746
100 1HB ARG 13 HB2 ARG 13 4.033 3.391 -1.304
101 2HB ARG 13 HB1 ARG 13 5.227 3.189 -0.022
102 1HG ARG 13 HG2 ARG 13 6.765 4.184 -2.071
103 2HG ARG 13 HG1 ARG 13 5.237 5.030 -2.319
104 1HD ARG 13 HD2 ARG 13 5.469 6.257 -0.402
105 2HD ARG 13 HD1 ARG 13 6.141 4.886 0.503
106 HE ARG 13 HE ARG 13 8.005 5.672 -1.522
107 1HH1 ARG 13 HH21 ARG 13 7.048 8.302 -0.253
108 2HH1 ARG 13 HH22 ARG 13 8.244 8.518 0.980
109 1HH2 ARG 13 HH11 ARG 13 9.386 5.248 0.814
110 2HH2 ARG 13 HH12 ARG 13 9.569 6.788 1.584
111 H SER 14 HN SER 14 5.325 0.801 0.443
112 HA SER 14 HA SER 14 8.036 0.773 1.377
113 1HB SER 14 HB2 SER 14 5.981 0.513 2.753
114 2HB SER 14 HB1 SER 14 5.688 -1.051 1.998
115 HG SER 14 HG SER 14 7.561 -0.288 3.900
116 H PHE 15 HN PHE 15 6.087 -1.660 -0.365
117 HA PHE 15 HA PHE 15 7.992 -3.781 -0.333
118 1HB PHE 15 HB2 PHE 15 5.725 -4.189 -0.964
119 2HB PHE 15 HB1 PHE 15 5.768 -2.932 -2.200
120 HD1 PHE 15 HD1 PHE 15 6.463 -3.417 -4.410
121 HD2 PHE 15 HD2 PHE 15 7.214 -6.241 -1.263
122 HE1 PHE 15 HE1 PHE 15 7.203 -5.088 -6.086
123 HE2 PHE 15 HE2 PHE 15 7.955 -7.912 -2.939
124 HZ PHE 15 HZ PHE 15 7.950 -7.335 -5.351
125 H THR 16 HN THR 16 7.522 -1.092 -2.632
126 HA THR 16 HA THR 16 9.592 -1.957 -4.468
127 HB THR 16 HB THR 16 8.381 0.784 -3.977
128 HG1 THR 16 HG1 THR 16 6.759 0.139 -5.275
129 1HG2 THR 16 HG21 THR 16 9.062 -0.076 -6.705
130 2HG2 THR 16 HG22 THR 16 10.459 0.077 -5.637
131 3HG2 THR 16 HG23 THR 16 9.389 1.455 -5.893
132 H GLN 17 HN GLN 17 9.562 -0.099 -1.499
133 HA GLN 17 HA GLN 17 12.366 0.812 -1.955
134 1HB GLN 17 HB2 GLN 17 10.729 2.473 -1.247
135 2HB GLN 17 HB1 GLN 17 10.240 1.460 0.112
136 1HG GLN 17 HG2 GLN 17 12.329 1.753 1.217
137 2HG GLN 17 HG1 GLN 17 13.085 2.420 -0.231
138 1HE2 GLN 17 HE21 GLN 17 12.326 4.615 -0.936
139 2HE2 GLN 17 HE22 GLN 17 11.671 5.679 0.212
140 H ALA 18 HN ALA 18 10.623 -1.696 -0.440
141 HA ALA 18 HA ALA 18 11.235 -3.318 1.172
142 1HB ALA 18 HB1 ALA 18 13.135 -4.286 0.386
143 2HB ALA 18 HB2 ALA 18 14.103 -2.858 0.750
144 3HB ALA 18 HB3 ALA 18 13.192 -2.945 -0.758
145 1HN NH2 19 1HN NH2 19 13.188 -3.549 3.055
146 2HN NH2 19 2HN NH2 19 13.294 -2.170 4.040
Start of MODEL 13
1 1H SER 1 1H SER 1 -14.318 -2.845 -3.082
2 2H SER 1 2H SER 1 -15.511 -3.989 -3.479
3 3H SER 1 3H SER 1 -14.670 -4.109 -2.007
4 HA SER 1 HA SER 1 -16.636 -2.013 -2.777
5 1HB SER 1 HB2 SER 1 -16.511 -4.435 -1.004
6 2HB SER 1 HB1 SER 1 -17.570 -3.101 -0.556
7 HG SER 1 HG SER 1 -17.608 -3.989 -3.204
8 H GLY 2 HN GLY 2 -14.815 -3.249 0.061
9 1HA GLY 2 HA2 GLY 2 -14.945 -0.874 1.585
10 2HA GLY 2 HA1 GLY 2 -13.672 -2.084 1.750
11 H THR 3 HN THR 3 -12.379 -0.023 2.158
12 HA THR 3 HA THR 3 -11.716 1.492 -0.314
13 HB THR 3 HB THR 3 -10.173 2.466 1.751
14 HG1 THR 3 HG1 THR 3 -11.947 2.486 3.435
15 1HG2 THR 3 HG21 THR 3 -13.015 3.100 0.934
16 2HG2 THR 3 HG22 THR 3 -11.535 3.885 0.383
17 3HG2 THR 3 HG23 THR 3 -12.089 4.111 2.042
18 H LEU 4 HN LEU 4 -9.424 0.770 2.255
19 HA LEU 4 HA LEU 4 -7.402 -0.473 2.242
20 1HB LEU 4 HB2 LEU 4 -9.226 -1.840 0.594
21 2HB LEU 4 HB1 LEU 4 -7.743 -1.731 -0.356
22 HG LEU 4 HG LEU 4 -7.601 -3.743 0.964
23 1HD1 LEU 4 HD11 LEU 4 -5.956 -1.976 2.698
24 2HD1 LEU 4 HD12 LEU 4 -5.688 -1.829 0.961
25 3HD1 LEU 4 HD13 LEU 4 -5.480 -3.388 1.756
26 1HD2 LEU 4 HD21 LEU 4 -9.082 -2.193 2.838
27 2HD2 LEU 4 HD22 LEU 4 -7.583 -2.674 3.631
28 3HD2 LEU 4 HD23 LEU 4 -8.653 -3.900 2.950
29 H SER 5 HN SER 5 -8.297 1.889 0.049
30 HA SER 5 HA SER 5 -6.302 1.892 -1.952
31 1HB SER 5 HB2 SER 5 -7.715 4.086 -0.414
32 2HB SER 5 HB1 SER 5 -6.698 4.410 -1.815
33 HG SER 5 HG SER 5 -8.166 2.568 -2.698
34 H THR 6 HN THR 6 -6.176 3.921 1.003
35 HA THR 6 HA THR 6 -3.488 4.668 0.894
36 HB THR 6 HB THR 6 -3.934 4.336 3.570
37 HG1 THR 6 HG1 THR 6 -6.016 4.142 3.963
38 1HG2 THR 6 HG21 THR 6 -5.331 6.452 1.923
39 2HG2 THR 6 HG22 THR 6 -3.587 6.444 2.188
40 3HG2 THR 6 HG23 THR 6 -4.687 6.607 3.557
41 H PHE 7 HN PHE 7 -4.712 1.934 2.881
42 HA PHE 7 HA PHE 7 -2.352 0.763 3.700
43 1HB PHE 7 HB2 PHE 7 -5.049 0.076 3.472
44 2HB PHE 7 HB1 PHE 7 -4.209 -1.205 2.595
45 HD1 PHE 7 HD1 PHE 7 -2.260 -2.393 3.745
46 HD2 PHE 7 HD2 PHE 7 -5.022 0.144 5.839
47 HE1 PHE 7 HE1 PHE 7 -1.571 -3.419 5.894
48 HE2 PHE 7 HE2 PHE 7 -4.334 -0.882 7.989
49 HZ PHE 7 HZ PHE 7 -2.608 -2.663 8.017
50 H PHE 8 HN PHE 8 -3.844 0.436 0.478
51 HA PHE 8 HA PHE 8 -1.856 -1.388 -0.567
52 1HB PHE 8 HB2 PHE 8 -4.282 -0.077 -1.350
53 2HB PHE 8 HB1 PHE 8 -3.076 0.198 -2.608
54 HD1 PHE 8 HD1 PHE 8 -5.033 -2.336 -0.790
55 HD2 PHE 8 HD2 PHE 8 -2.087 -1.667 -3.844
56 HE1 PHE 8 HE1 PHE 8 -5.335 -4.663 -1.591
57 HE2 PHE 8 HE2 PHE 8 -2.389 -3.994 -4.645
58 HZ PHE 8 HZ PHE 8 -4.012 -5.492 -3.518
59 H ARG 9 HN ARG 9 -2.160 2.137 -0.421
60 HA ARG 9 HA ARG 9 -0.042 2.759 -2.275
61 1HB ARG 9 HB2 ARG 9 -1.954 4.189 -1.233
62 2HB ARG 9 HB1 ARG 9 -0.846 4.411 0.121
63 1HG ARG 9 HG2 ARG 9 0.138 4.887 -2.675
64 2HG ARG 9 HG1 ARG 9 -0.827 6.129 -1.875
65 1HD ARG 9 HD2 ARG 9 1.094 5.229 0.028
66 2HD ARG 9 HD1 ARG 9 1.958 5.544 -1.490
67 HE ARG 9 HE ARG 9 0.392 7.536 0.047
68 1HH1 ARG 9 HH11 ARG 9 1.438 6.687 -3.088
69 2HH1 ARG 9 HH12 ARG 9 1.985 8.278 -3.499
70 1HH2 ARG 9 HH21 ARG 9 1.394 9.584 -0.342
71 2HH2 ARG 9 HH22 ARG 9 1.959 9.918 -1.944
72 H LEU 10 HN LEU 10 -0.126 2.475 1.291
73 HA LEU 10 HA LEU 10 2.692 3.011 1.658
74 1HB LEU 10 HB2 LEU 10 0.766 3.210 3.316
75 2HB LEU 10 HB1 LEU 10 0.801 1.451 3.442
76 HG LEU 10 HG LEU 10 3.482 2.321 3.709
77 1HD1 LEU 10 HD11 LEU 10 3.501 4.164 5.045
78 2HD1 LEU 10 HD12 LEU 10 2.055 3.658 5.919
79 3HD1 LEU 10 HD13 LEU 10 1.904 4.469 4.359
80 1HD2 LEU 10 HD21 LEU 10 1.490 1.435 5.822
81 2HD2 LEU 10 HD22 LEU 10 3.247 1.337 5.946
82 3HD2 LEU 10 HD23 LEU 10 2.389 0.348 4.764
83 H PHE 11 HN PHE 11 0.760 0.031 1.343
84 HA PHE 11 HA PHE 11 2.864 -1.830 1.912
85 1HB PHE 11 HB2 PHE 11 0.209 -1.961 1.543
86 2HB PHE 11 HB1 PHE 11 0.718 -2.448 -0.074
87 HD1 PHE 11 HD1 PHE 11 -0.675 -4.148 2.162
88 HD2 PHE 11 HD2 PHE 11 3.404 -3.686 0.900
89 HE1 PHE 11 HE1 PHE 11 -0.157 -6.421 3.008
90 HE2 PHE 11 HE2 PHE 11 3.923 -5.959 1.745
91 HZ PHE 11 HZ PHE 11 2.143 -7.326 2.799
92 H ASN 12 HN ASN 12 1.707 -0.415 -1.160
93 HA ASN 12 HA ASN 12 3.549 -1.867 -2.845
94 1HB ASN 12 HB2 ASN 12 1.434 -0.831 -3.592
95 2HB ASN 12 HB1 ASN 12 2.081 0.766 -3.214
96 1HD2 ASN 12 HD21 ASN 12 1.877 1.354 -5.533
97 2HD2 ASN 12 HD22 ASN 12 3.006 0.778 -6.662
98 H ARG 13 HN ARG 13 3.576 1.479 -1.559
99 HA ARG 13 HA ARG 13 6.049 2.305 -2.682
100 1HB ARG 13 HB2 ARG 13 4.390 3.774 -1.610
101 2HB ARG 13 HB1 ARG 13 4.708 3.014 -0.051
102 1HG ARG 13 HG2 ARG 13 5.979 5.062 -0.121
103 2HG ARG 13 HG1 ARG 13 7.119 3.728 -0.292
104 1HD ARG 13 HD2 ARG 13 7.819 4.596 -2.262
105 2HD ARG 13 HD1 ARG 13 6.175 4.439 -2.910
106 HE ARG 13 HE ARG 13 5.675 6.675 -1.989
107 1HH1 ARG 13 HH21 ARG 13 8.685 6.137 -3.268
108 2HH1 ARG 13 HH22 ARG 13 9.460 7.496 -2.525
109 1HH2 ARG 13 HH11 ARG 13 6.783 8.223 -0.445
110 2HH2 ARG 13 HH12 ARG 13 8.383 8.677 -0.926
111 H SER 14 HN SER 14 5.361 0.659 0.414
112 HA SER 14 HA SER 14 8.093 0.651 1.346
113 1HB SER 14 HB2 SER 14 5.459 -0.445 2.056
114 2HB SER 14 HB1 SER 14 6.795 -1.491 2.527
115 HG SER 14 HG SER 14 6.831 1.291 3.023
116 H PHE 15 HN PHE 15 6.092 -1.783 -0.351
117 HA PHE 15 HA PHE 15 7.980 -3.901 -0.407
118 1HB PHE 15 HB2 PHE 15 5.476 -3.715 -1.105
119 2HB PHE 15 HB1 PHE 15 6.110 -3.226 -2.676
120 HD1 PHE 15 HD1 PHE 15 4.900 -5.966 -1.004
121 HD2 PHE 15 HD2 PHE 15 8.331 -4.788 -3.305
122 HE1 PHE 15 HE1 PHE 15 5.336 -8.340 -1.571
123 HE2 PHE 15 HE2 PHE 15 8.766 -7.162 -3.871
124 HZ PHE 15 HZ PHE 15 7.268 -8.939 -3.004
125 H THR 16 HN THR 16 7.483 -1.215 -2.716
126 HA THR 16 HA THR 16 9.721 -2.073 -4.407
127 HB THR 16 HB THR 16 8.216 0.558 -4.365
128 HG1 THR 16 HG1 THR 16 6.550 -0.463 -5.108
129 1HG2 THR 16 HG21 THR 16 9.279 -0.948 -6.749
130 2HG2 THR 16 HG22 THR 16 10.315 0.136 -5.821
131 3HG2 THR 16 HG23 THR 16 8.874 0.764 -6.619
132 H GLN 17 HN GLN 17 9.298 -0.082 -1.603
133 HA GLN 17 HA GLN 17 11.750 1.498 -2.060
134 1HB GLN 17 HB2 GLN 17 9.924 2.607 -0.994
135 2HB GLN 17 HB1 GLN 17 9.660 1.260 0.115
136 1HG GLN 17 HG2 GLN 17 11.948 1.703 1.076
137 2HG GLN 17 HG1 GLN 17 12.018 3.161 0.086
138 1HE2 GLN 17 HE21 GLN 17 10.978 5.019 0.897
139 2HE2 GLN 17 HE22 GLN 17 9.989 5.031 2.277
140 H ALA 18 HN ALA 18 10.808 -1.469 -0.509
141 HA ALA 18 HA ALA 18 12.095 -3.069 0.663
142 1HB ALA 18 HB1 ALA 18 14.439 -1.353 -0.192
143 2HB ALA 18 HB2 ALA 18 13.585 -2.408 -1.318
144 3HB ALA 18 HB3 ALA 18 14.418 -3.096 0.075
145 1HN NH2 19 1HN NH2 19 11.989 -2.961 2.925
146 2HN NH2 19 2HN NH2 19 12.687 -1.745 3.882
Start of MODEL 14
1 1H SER 1 1H SER 1 -16.869 -3.032 1.958
2 2H SER 1 2H SER 1 -16.247 -3.891 3.286
3 3H SER 1 3H SER 1 -16.333 -4.628 1.757
4 HA SER 1 HA SER 1 -14.063 -3.723 2.568
5 1HB SER 1 HB2 SER 1 -14.763 -2.757 -0.147
6 2HB SER 1 HB1 SER 1 -13.539 -3.924 0.347
7 HG SER 1 HG SER 1 -14.934 -5.475 0.067
8 H GLY 2 HN GLY 2 -13.856 -1.891 3.900
9 1HA GLY 2 HA2 GLY 2 -15.100 0.616 3.560
10 2HA GLY 2 HA1 GLY 2 -13.549 0.390 4.369
11 H THR 3 HN THR 3 -11.655 0.027 2.767
12 HA THR 3 HA THR 3 -11.959 1.236 0.111
13 HB THR 3 HB THR 3 -10.076 2.753 1.817
14 HG1 THR 3 HG1 THR 3 -11.479 3.310 3.251
15 1HG2 THR 3 HG21 THR 3 -11.664 4.567 0.621
16 2HG2 THR 3 HG22 THR 3 -11.971 3.187 -0.434
17 3HG2 THR 3 HG23 THR 3 -10.325 3.782 -0.218
18 H LEU 4 HN LEU 4 -9.388 0.939 2.597
19 HA LEU 4 HA LEU 4 -7.397 -0.353 2.568
20 1HB LEU 4 HB2 LEU 4 -9.285 -1.790 1.156
21 2HB LEU 4 HB1 LEU 4 -7.977 -1.638 -0.017
22 HG LEU 4 HG LEU 4 -7.102 -2.302 2.724
23 1HD1 LEU 4 HD11 LEU 4 -9.122 -3.652 2.683
24 2HD1 LEU 4 HD12 LEU 4 -7.737 -4.712 2.423
25 3HD1 LEU 4 HD13 LEU 4 -8.747 -4.231 1.060
26 1HD2 LEU 4 HD21 LEU 4 -5.921 -2.265 0.309
27 2HD2 LEU 4 HD22 LEU 4 -6.481 -3.937 0.306
28 3HD2 LEU 4 HD23 LEU 4 -5.406 -3.369 1.584
29 H SER 5 HN SER 5 -8.307 1.951 0.315
30 HA SER 5 HA SER 5 -6.370 1.838 -1.739
31 1HB SER 5 HB2 SER 5 -7.664 3.639 -2.183
32 2HB SER 5 HB1 SER 5 -8.206 3.720 -0.509
33 HG SER 5 HG SER 5 -6.113 5.034 -1.801
34 H THR 6 HN THR 6 -6.103 3.993 1.114
35 HA THR 6 HA THR 6 -3.415 4.666 0.930
36 HB THR 6 HB THR 6 -3.725 4.399 3.608
37 HG1 THR 6 HG1 THR 6 -5.989 4.624 3.988
38 1HG2 THR 6 HG21 THR 6 -4.723 6.630 3.577
39 2HG2 THR 6 HG22 THR 6 -5.218 6.407 1.900
40 3HG2 THR 6 HG23 THR 6 -3.505 6.506 2.308
41 H PHE 7 HN PHE 7 -4.643 1.922 2.900
42 HA PHE 7 HA PHE 7 -2.275 0.708 3.659
43 1HB PHE 7 HB2 PHE 7 -4.968 -0.284 2.774
44 2HB PHE 7 HB1 PHE 7 -3.710 -1.462 3.151
45 HD1 PHE 7 HD1 PHE 7 -5.729 1.336 4.510
46 HD2 PHE 7 HD2 PHE 7 -2.967 -1.830 5.407
47 HE1 PHE 7 HE1 PHE 7 -6.163 1.644 6.932
48 HE2 PHE 7 HE2 PHE 7 -3.401 -1.521 7.829
49 HZ PHE 7 HZ PHE 7 -4.998 0.216 8.592
50 H PHE 8 HN PHE 8 -3.858 0.471 0.472
51 HA PHE 8 HA PHE 8 -1.939 -1.370 -0.665
52 1HB PHE 8 HB2 PHE 8 -4.396 -0.363 -1.313
53 2HB PHE 8 HB1 PHE 8 -3.365 0.551 -2.412
54 HD1 PHE 8 HD1 PHE 8 -5.447 -1.756 -2.995
55 HD2 PHE 8 HD2 PHE 8 -1.172 -1.611 -2.621
56 HE1 PHE 8 HE1 PHE 8 -5.251 -3.743 -4.466
57 HE2 PHE 8 HE2 PHE 8 -0.975 -3.597 -4.093
58 HZ PHE 8 HZ PHE 8 -3.015 -4.663 -5.015
59 H ARG 9 HN ARG 9 -2.164 2.163 -0.455
60 HA ARG 9 HA ARG 9 -0.052 2.763 -2.324
61 1HB ARG 9 HB2 ARG 9 -1.916 4.230 -1.278
62 2HB ARG 9 HB1 ARG 9 -0.828 4.389 0.103
63 1HG ARG 9 HG2 ARG 9 0.859 5.434 -1.217
64 2HG ARG 9 HG1 ARG 9 0.064 4.980 -2.725
65 1HD ARG 9 HD2 ARG 9 -0.383 7.346 -2.283
66 2HD ARG 9 HD1 ARG 9 -1.888 6.438 -2.043
67 HE ARG 9 HE ARG 9 -1.771 7.150 0.199
68 1HH1 ARG 9 HH21 ARG 9 0.628 8.927 -0.488
69 2HH1 ARG 9 HH22 ARG 9 1.785 8.379 0.678
70 1HH2 ARG 9 HH11 ARG 9 0.040 5.480 1.438
71 2HH2 ARG 9 HH12 ARG 9 1.452 6.427 1.769
72 H LEU 10 HN LEU 10 -0.093 2.567 1.255
73 HA LEU 10 HA LEU 10 2.729 2.993 1.597
74 1HB LEU 10 HB2 LEU 10 0.535 2.912 3.181
75 2HB LEU 10 HB1 LEU 10 1.197 1.314 3.520
76 HG LEU 10 HG LEU 10 3.397 2.365 4.029
77 1HD1 LEU 10 HD11 LEU 10 3.645 4.411 3.052
78 2HD1 LEU 10 HD12 LEU 10 2.874 4.999 4.525
79 3HD1 LEU 10 HD13 LEU 10 1.912 4.736 3.071
80 1HD2 LEU 10 HD21 LEU 10 1.909 1.910 5.888
81 2HD2 LEU 10 HD22 LEU 10 0.984 3.375 5.564
82 3HD2 LEU 10 HD23 LEU 10 2.640 3.492 6.157
83 H PHE 11 HN PHE 11 0.748 0.063 1.197
84 HA PHE 11 HA PHE 11 2.803 -1.859 1.742
85 1HB PHE 11 HB2 PHE 11 0.106 -1.707 0.574
86 2HB PHE 11 HB1 PHE 11 1.085 -3.016 -0.088
87 HD1 PHE 11 HD1 PHE 11 2.742 -3.915 2.078
88 HD2 PHE 11 HD2 PHE 11 -1.335 -2.568 2.200
89 HE1 PHE 11 HE1 PHE 11 2.366 -5.243 4.138
90 HE2 PHE 11 HE2 PHE 11 -1.711 -3.896 4.261
91 HZ PHE 11 HZ PHE 11 0.138 -5.233 5.230
92 H ASN 12 HN ASN 12 1.684 -0.389 -1.322
93 HA ASN 12 HA ASN 12 3.511 -1.805 -3.031
94 1HB ASN 12 HB2 ASN 12 1.510 -0.708 -3.857
95 2HB ASN 12 HB1 ASN 12 2.060 0.852 -3.242
96 1HD2 ASN 12 HD21 ASN 12 3.749 -1.708 -5.152
97 2HD2 ASN 12 HD22 ASN 12 4.234 -0.661 -6.396
98 H ARG 13 HN ARG 13 3.647 1.532 -1.715
99 HA ARG 13 HA ARG 13 6.206 2.225 -2.728
100 1HB ARG 13 HB2 ARG 13 4.710 3.864 -1.799
101 2HB ARG 13 HB1 ARG 13 4.645 3.015 -0.253
102 1HG ARG 13 HG2 ARG 13 7.382 3.492 -0.761
103 2HG ARG 13 HG1 ARG 13 6.546 4.997 -1.148
104 1HD ARG 13 HD2 ARG 13 5.278 4.492 1.139
105 2HD ARG 13 HD1 ARG 13 6.761 3.577 1.481
106 HE ARG 13 HE ARG 13 7.887 5.819 0.603
107 1HH1 ARG 13 HH11 ARG 13 4.937 6.884 0.964
108 2HH1 ARG 13 HH12 ARG 13 5.142 7.771 2.438
109 1HH2 ARG 13 HH21 ARG 13 8.214 6.345 3.181
110 2HH2 ARG 13 HH22 ARG 13 6.997 7.466 3.692
111 H SER 14 HN SER 14 5.372 0.957 0.526
112 HA SER 14 HA SER 14 8.010 0.710 1.528
113 1HB SER 14 HB2 SER 14 5.649 0.419 2.597
114 2HB SER 14 HB1 SER 14 5.794 -1.260 2.085
115 HG SER 14 HG SER 14 6.832 -1.416 3.921
116 H PHE 15 HN PHE 15 6.052 -1.616 -0.348
117 HA PHE 15 HA PHE 15 7.862 -3.811 -0.283
118 1HB PHE 15 HB2 PHE 15 5.524 -3.902 -1.040
119 2HB PHE 15 HB1 PHE 15 5.914 -2.866 -2.412
120 HD1 PHE 15 HD1 PHE 15 5.887 -6.244 -1.134
121 HD2 PHE 15 HD2 PHE 15 7.615 -3.686 -4.121
122 HE1 PHE 15 HE1 PHE 15 6.566 -8.235 -2.448
123 HE2 PHE 15 HE2 PHE 15 8.293 -5.677 -5.434
124 HZ PHE 15 HZ PHE 15 7.769 -7.951 -4.597
125 H THR 16 HN THR 16 7.544 -1.171 -2.686
126 HA THR 16 HA THR 16 9.787 -2.057 -4.292
127 HB THR 16 HB THR 16 8.676 0.746 -4.115
128 HG1 THR 16 HG1 THR 16 7.453 -1.631 -4.928
129 1HG2 THR 16 HG21 THR 16 10.110 0.877 -5.867
130 2HG2 THR 16 HG22 THR 16 8.861 0.001 -6.751
131 3HG2 THR 16 HG23 THR 16 10.212 -0.876 -6.030
132 H GLN 17 HN GLN 17 9.478 -0.161 -1.386
133 HA GLN 17 HA GLN 17 11.859 1.415 -1.547
134 1HB GLN 17 HB2 GLN 17 10.168 1.872 0.092
135 2HB GLN 17 HB1 GLN 17 10.240 0.224 0.719
136 1HG GLN 17 HG2 GLN 17 11.462 1.581 2.269
137 2HG GLN 17 HG1 GLN 17 12.667 0.694 1.332
138 1HE2 GLN 17 HE21 GLN 17 13.753 2.895 2.390
139 2HE2 GLN 17 HE22 GLN 17 13.862 4.174 1.279
140 H ALA 18 HN ALA 18 11.433 -1.478 0.523
141 HA ALA 18 HA ALA 18 14.168 -1.975 0.998
142 1HB ALA 18 HB1 ALA 18 13.120 -4.438 1.138
143 2HB ALA 18 HB2 ALA 18 11.614 -3.531 0.996
144 3HB ALA 18 HB3 ALA 18 12.721 -3.199 2.328
145 1HN NH2 19 1HN NH2 19 15.328 -4.080 0.080
146 2HN NH2 19 2HN NH2 19 15.275 -4.283 -1.604
Start of MODEL 15
1 1H SER 1 1H SER 1 -18.097 -0.110 3.317
2 2H SER 1 2H SER 1 -16.962 0.521 2.221
3 3H SER 1 3H SER 1 -17.643 1.522 3.412
4 HA SER 1 HA SER 1 -15.689 1.083 4.470
5 1HB SER 1 HB2 SER 1 -17.465 0.246 5.872
6 2HB SER 1 HB1 SER 1 -17.562 -1.251 4.951
7 HG SER 1 HG SER 1 -16.113 -1.987 6.269
8 H GLY 2 HN GLY 2 -13.673 0.025 4.394
9 1HA GLY 2 HA2 GLY 2 -12.144 -1.722 3.804
10 2HA GLY 2 HA1 GLY 2 -13.437 -2.516 2.904
11 H THR 3 HN THR 3 -11.479 0.479 2.807
12 HA THR 3 HA THR 3 -11.879 0.694 -0.111
13 HB THR 3 HB THR 3 -10.027 2.338 1.610
14 HG1 THR 3 HG1 THR 3 -11.687 3.305 2.531
15 1HG2 THR 3 HG21 THR 3 -11.933 3.247 -0.543
16 2HG2 THR 3 HG22 THR 3 -10.342 2.596 -0.943
17 3HG2 THR 3 HG23 THR 3 -10.477 4.050 0.047
18 H LEU 4 HN LEU 4 -9.126 0.260 2.140
19 HA LEU 4 HA LEU 4 -7.095 -0.926 1.812
20 1HB LEU 4 HB2 LEU 4 -9.000 -2.079 0.110
21 2HB LEU 4 HB1 LEU 4 -7.612 -1.765 -0.931
22 HG LEU 4 HG LEU 4 -6.443 -2.758 1.375
23 1HD1 LEU 4 HD11 LEU 4 -8.865 -3.357 2.030
24 2HD1 LEU 4 HD12 LEU 4 -7.671 -4.652 2.105
25 3HD1 LEU 4 HD13 LEU 4 -8.784 -4.558 0.741
26 1HD2 LEU 4 HD21 LEU 4 -6.769 -3.458 -1.381
27 2HD2 LEU 4 HD22 LEU 4 -6.955 -4.924 -0.420
28 3HD2 LEU 4 HD23 LEU 4 -5.488 -3.956 -0.276
29 H SER 5 HN SER 5 -8.164 1.718 0.054
30 HA SER 5 HA SER 5 -6.242 2.049 -2.012
31 1HB SER 5 HB2 SER 5 -7.901 3.833 -0.253
32 2HB SER 5 HB1 SER 5 -6.732 4.556 -1.353
33 HG SER 5 HG SER 5 -7.793 3.664 -3.059
34 H THR 6 HN THR 6 -6.138 3.822 1.096
35 HA THR 6 HA THR 6 -3.456 4.622 0.997
36 HB THR 6 HB THR 6 -3.826 4.291 3.635
37 HG1 THR 6 HG1 THR 6 -6.253 4.524 3.765
38 1HG2 THR 6 HG21 THR 6 -4.123 6.342 1.839
39 2HG2 THR 6 HG22 THR 6 -4.337 6.502 3.583
40 3HG2 THR 6 HG23 THR 6 -5.738 6.246 2.542
41 H PHE 7 HN PHE 7 -4.635 1.820 2.912
42 HA PHE 7 HA PHE 7 -2.261 0.642 3.669
43 1HB PHE 7 HB2 PHE 7 -4.938 -0.354 2.782
44 2HB PHE 7 HB1 PHE 7 -3.667 -1.550 3.041
45 HD1 PHE 7 HD1 PHE 7 -4.500 1.673 4.774
46 HD2 PHE 7 HD2 PHE 7 -3.991 -2.578 5.114
47 HE1 PHE 7 HE1 PHE 7 -4.852 1.827 7.224
48 HE2 PHE 7 HE2 PHE 7 -4.344 -2.425 7.563
49 HZ PHE 7 HZ PHE 7 -4.775 -0.223 8.618
50 H PHE 8 HN PHE 8 -3.787 0.378 0.453
51 HA PHE 8 HA PHE 8 -1.792 -1.391 -0.662
52 1HB PHE 8 HB2 PHE 8 -4.089 -1.087 -1.529
53 2HB PHE 8 HB1 PHE 8 -3.712 0.588 -1.936
54 HD1 PHE 8 HD1 PHE 8 -3.438 0.875 -4.230
55 HD2 PHE 8 HD2 PHE 8 -1.911 -2.681 -2.366
56 HE1 PHE 8 HE1 PHE 8 -2.501 0.137 -6.405
57 HE2 PHE 8 HE2 PHE 8 -0.974 -3.418 -4.541
58 HZ PHE 8 HZ PHE 8 -1.270 -2.009 -6.559
59 H ARG 9 HN ARG 9 -2.115 2.127 -0.408
60 HA ARG 9 HA ARG 9 0.004 2.800 -2.250
61 1HB ARG 9 HB2 ARG 9 -1.882 4.249 -1.346
62 2HB ARG 9 HB1 ARG 9 -0.981 4.340 0.169
63 1HG ARG 9 HG2 ARG 9 0.085 6.114 -0.740
64 2HG ARG 9 HG1 ARG 9 0.936 4.940 -1.746
65 1HD ARG 9 HD2 ARG 9 -1.285 5.144 -3.226
66 2HD ARG 9 HD1 ARG 9 -1.339 6.744 -2.462
67 HE ARG 9 HE ARG 9 1.274 5.906 -3.565
68 1HH1 ARG 9 HH21 ARG 9 -1.678 6.982 -4.759
69 2HH1 ARG 9 HH22 ARG 9 -1.044 8.387 -5.551
70 1HH2 ARG 9 HH11 ARG 9 2.130 8.040 -4.198
71 2HH2 ARG 9 HH12 ARG 9 1.113 8.985 -5.233
72 H LEU 10 HN LEU 10 -0.093 2.653 1.331
73 HA LEU 10 HA LEU 10 2.722 3.122 1.697
74 1HB LEU 10 HB2 LEU 10 0.402 2.876 3.226
75 2HB LEU 10 HB1 LEU 10 1.387 1.507 3.739
76 HG LEU 10 HG LEU 10 1.908 3.468 5.113
77 1HD1 LEU 10 HD11 LEU 10 3.731 1.866 3.790
78 2HD1 LEU 10 HD12 LEU 10 4.115 2.956 5.122
79 3HD1 LEU 10 HD13 LEU 10 4.330 3.491 3.456
80 1HD2 LEU 10 HD21 LEU 10 1.249 5.074 3.206
81 2HD2 LEU 10 HD22 LEU 10 2.888 4.831 2.599
82 3HD2 LEU 10 HD23 LEU 10 2.634 5.537 4.195
83 H PHE 11 HN PHE 11 0.783 0.195 1.222
84 HA PHE 11 HA PHE 11 2.880 -1.685 1.901
85 1HB PHE 11 HB2 PHE 11 0.219 -1.707 0.504
86 2HB PHE 11 HB1 PHE 11 1.240 -3.143 0.428
87 HD1 PHE 11 HD1 PHE 11 1.345 -0.845 3.300
88 HD2 PHE 11 HD2 PHE 11 -0.288 -4.512 1.768
89 HE1 PHE 11 HE1 PHE 11 0.624 -1.481 5.586
90 HE2 PHE 11 HE2 PHE 11 -1.007 -5.147 4.055
91 HZ PHE 11 HZ PHE 11 -0.552 -3.630 5.964
92 H ASN 12 HN ASN 12 1.568 -0.547 -1.238
93 HA ASN 12 HA ASN 12 3.421 -1.959 -2.895
94 1HB ASN 12 HB2 ASN 12 1.263 -0.875 -3.564
95 2HB ASN 12 HB1 ASN 12 2.028 0.700 -3.357
96 1HD2 ASN 12 HD21 ASN 12 1.010 -0.300 -5.908
97 2HD2 ASN 12 HD22 ASN 12 2.339 -0.446 -6.954
98 H ARG 13 HN ARG 13 3.538 1.308 -1.464
99 HA ARG 13 HA ARG 13 5.979 2.141 -2.731
100 1HB ARG 13 HB2 ARG 13 4.555 2.901 -0.164
101 2HB ARG 13 HB1 ARG 13 5.940 3.790 -0.801
102 1HG ARG 13 HG2 ARG 13 3.421 3.269 -2.400
103 2HG ARG 13 HG1 ARG 13 3.688 4.739 -1.463
104 1HD ARG 13 HD2 ARG 13 5.530 3.744 -3.669
105 2HD ARG 13 HD1 ARG 13 4.348 5.057 -3.843
106 HE ARG 13 HE ARG 13 5.999 5.515 -1.530
107 1HH1 ARG 13 HH11 ARG 13 5.246 7.622 -3.522
108 2HH1 ARG 13 HH12 ARG 13 6.766 7.966 -4.279
109 1HH2 ARG 13 HH21 ARG 13 8.294 5.073 -3.129
110 2HH2 ARG 13 HH22 ARG 13 8.491 6.523 -4.057
111 H SER 14 HN SER 14 5.369 0.844 0.559
112 HA SER 14 HA SER 14 8.105 0.721 1.372
113 1HB SER 14 HB2 SER 14 6.648 0.460 3.134
114 2HB SER 14 HB1 SER 14 5.472 -0.417 2.160
115 HG SER 14 HG SER 14 7.672 -1.330 3.593
116 H PHE 15 HN PHE 15 6.107 -1.486 -0.527
117 HA PHE 15 HA PHE 15 7.900 -3.758 -0.383
118 1HB PHE 15 HB2 PHE 15 5.568 -4.039 -0.923
119 2HB PHE 15 HB1 PHE 15 5.679 -2.884 -2.252
120 HD1 PHE 15 HD1 PHE 15 5.815 -3.774 -4.395
121 HD2 PHE 15 HD2 PHE 15 7.431 -6.004 -1.099
122 HE1 PHE 15 HE1 PHE 15 6.434 -5.610 -5.942
123 HE2 PHE 15 HE2 PHE 15 8.052 -7.841 -2.646
124 HZ PHE 15 HZ PHE 15 7.552 -7.644 -5.067
125 H THR 16 HN THR 16 7.271 -1.347 -2.968
126 HA THR 16 HA THR 16 9.080 -2.115 -4.912
127 HB THR 16 HB THR 16 9.270 0.362 -5.349
128 HG1 THR 16 HG1 THR 16 8.865 1.684 -3.783
129 1HG2 THR 16 HG21 THR 16 6.487 0.413 -4.840
130 2HG2 THR 16 HG22 THR 16 6.900 -1.267 -5.180
131 3HG2 THR 16 HG23 THR 16 7.293 -0.009 -6.351
132 H GLN 17 HN GLN 17 10.015 0.398 -2.539
133 HA GLN 17 HA GLN 17 12.773 0.356 -2.922
134 1HB GLN 17 HB2 GLN 17 10.861 1.039 -0.781
135 2HB GLN 17 HB1 GLN 17 12.500 0.728 -0.209
136 1HG GLN 17 HG2 GLN 17 13.219 2.700 -1.019
137 2HG GLN 17 HG1 GLN 17 12.576 2.325 -2.618
138 1HE2 GLN 17 HE21 GLN 17 11.467 4.268 -3.111
139 2HE2 GLN 17 HE22 GLN 17 10.222 4.911 -2.153
140 H ALA 18 HN ALA 18 11.706 -1.041 0.136
141 HA ALA 18 HA ALA 18 13.425 -3.436 -0.434
142 1HB ALA 18 HB1 ALA 18 14.400 -1.924 1.205
143 2HB ALA 18 HB2 ALA 18 13.822 -3.360 2.051
144 3HB ALA 18 HB3 ALA 18 12.885 -1.868 2.107
145 1HN NH2 19 1HN NH2 19 11.039 -2.681 2.158
146 2HN NH2 19 2HN NH2 19 10.069 -4.047 1.886
Start of MODEL 16
1 1H SER 1 1H SER 1 -11.496 7.332 5.391
2 2H SER 1 2H SER 1 -12.561 8.640 5.587
3 3H SER 1 3H SER 1 -11.956 8.256 4.047
4 HA SER 1 HA SER 1 -13.934 6.741 5.659
5 1HB SER 1 HB2 SER 1 -13.858 7.964 2.882
6 2HB SER 1 HB1 SER 1 -15.241 7.131 3.584
7 HG SER 1 HG SER 1 -15.430 8.733 5.090
8 H GLY 2 HN GLY 2 -11.510 6.598 3.089
9 1HA GLY 2 HA2 GLY 2 -12.175 3.717 2.670
10 2HA GLY 2 HA1 GLY 2 -11.289 4.717 1.518
11 H THR 3 HN THR 3 -10.492 2.156 2.834
12 HA THR 3 HA THR 3 -7.966 3.143 4.122
13 HB THR 3 HB THR 3 -8.137 1.077 5.521
14 HG1 THR 3 HG1 THR 3 -10.786 0.822 4.658
15 1HG2 THR 3 HG21 THR 3 -9.516 3.457 5.788
16 2HG2 THR 3 HG22 THR 3 -9.349 2.229 7.043
17 3HG2 THR 3 HG23 THR 3 -10.780 2.248 6.011
18 H LEU 4 HN LEU 4 -9.510 0.528 2.245
19 HA LEU 4 HA LEU 4 -7.336 -1.112 1.652
20 1HB LEU 4 HB2 LEU 4 -9.878 -0.290 0.401
21 2HB LEU 4 HB1 LEU 4 -8.697 -0.946 -0.734
22 HG LEU 4 HG LEU 4 -8.726 -2.543 1.669
23 1HD1 LEU 4 HD11 LEU 4 -11.018 -1.817 1.987
24 2HD1 LEU 4 HD12 LEU 4 -11.047 -3.460 1.347
25 3HD1 LEU 4 HD13 LEU 4 -11.386 -2.093 0.284
26 1HD2 LEU 4 HD21 LEU 4 -8.036 -3.818 -0.080
27 2HD2 LEU 4 HD22 LEU 4 -8.876 -2.810 -1.259
28 3HD2 LEU 4 HD23 LEU 4 -9.754 -4.067 -0.388
29 H SER 5 HN SER 5 -8.289 1.857 -0.119
30 HA SER 5 HA SER 5 -6.241 1.881 -2.058
31 1HB SER 5 HB2 SER 5 -8.185 3.675 -0.861
32 2HB SER 5 HB1 SER 5 -6.702 4.539 -1.251
33 HG SER 5 HG SER 5 -7.785 4.553 -3.124
34 H THR 6 HN THR 6 -6.199 3.878 0.923
35 HA THR 6 HA THR 6 -3.513 4.660 0.864
36 HB THR 6 HB THR 6 -4.011 4.329 3.529
37 HG1 THR 6 HG1 THR 6 -6.336 4.687 3.642
38 1HG2 THR 6 HG21 THR 6 -5.259 6.569 3.292
39 2HG2 THR 6 HG22 THR 6 -5.002 6.386 1.557
40 3HG2 THR 6 HG23 THR 6 -3.619 6.491 2.647
41 H PHE 7 HN PHE 7 -4.742 1.931 2.851
42 HA PHE 7 HA PHE 7 -2.389 0.780 3.708
43 1HB PHE 7 HB2 PHE 7 -5.062 -0.208 2.838
44 2HB PHE 7 HB1 PHE 7 -3.810 -1.429 3.069
45 HD1 PHE 7 HD1 PHE 7 -5.053 1.679 4.779
46 HD2 PHE 7 HD2 PHE 7 -3.620 -2.349 5.195
47 HE1 PHE 7 HE1 PHE 7 -5.364 1.823 7.235
48 HE2 PHE 7 HE2 PHE 7 -3.929 -2.205 7.651
49 HZ PHE 7 HZ PHE 7 -4.802 -0.120 8.671
50 H PHE 8 HN PHE 8 -3.828 0.421 0.466
51 HA PHE 8 HA PHE 8 -1.811 -1.396 -0.536
52 1HB PHE 8 HB2 PHE 8 -4.224 -0.065 -1.378
53 2HB PHE 8 HB1 PHE 8 -2.993 0.125 -2.626
54 HD1 PHE 8 HD1 PHE 8 -5.662 -1.782 -2.079
55 HD2 PHE 8 HD2 PHE 8 -1.414 -2.311 -2.425
56 HE1 PHE 8 HE1 PHE 8 -6.014 -4.132 -2.786
57 HE2 PHE 8 HE2 PHE 8 -1.765 -4.662 -3.134
58 HZ PHE 8 HZ PHE 8 -4.064 -5.572 -3.314
59 H ARG 9 HN ARG 9 -2.145 2.128 -0.418
60 HA ARG 9 HA ARG 9 -0.008 2.755 -2.250
61 1HB ARG 9 HB2 ARG 9 -1.111 4.295 0.125
62 2HB ARG 9 HB1 ARG 9 -0.241 4.983 -1.248
63 1HG ARG 9 HG2 ARG 9 -2.582 3.318 -1.955
64 2HG ARG 9 HG1 ARG 9 -2.959 4.820 -1.108
65 1HD ARG 9 HD2 ARG 9 -1.041 5.620 -2.953
66 2HD ARG 9 HD1 ARG 9 -2.014 4.442 -3.855
67 HE ARG 9 HE ARG 9 -3.859 6.001 -2.433
68 1HH1 ARG 9 HH21 ARG 9 -1.118 7.140 -4.053
69 2HH1 ARG 9 HH22 ARG 9 -1.982 8.212 -5.104
70 1HH2 ARG 9 HH11 ARG 9 -5.110 7.098 -4.104
71 2HH2 ARG 9 HH12 ARG 9 -4.243 8.188 -5.133
72 H LEU 10 HN LEU 10 -0.135 2.502 1.318
73 HA LEU 10 HA LEU 10 2.675 3.061 1.711
74 1HB LEU 10 HB2 LEU 10 0.404 2.891 3.238
75 2HB LEU 10 HB1 LEU 10 1.228 1.397 3.683
76 HG LEU 10 HG LEU 10 1.993 3.115 5.194
77 1HD1 LEU 10 HD11 LEU 10 4.342 3.260 3.450
78 2HD1 LEU 10 HD12 LEU 10 3.677 1.630 3.564
79 3HD1 LEU 10 HD13 LEU 10 4.161 2.488 5.027
80 1HD2 LEU 10 HD21 LEU 10 3.010 4.761 2.889
81 2HD2 LEU 10 HD22 LEU 10 2.662 5.265 4.544
82 3HD2 LEU 10 HD23 LEU 10 1.339 4.939 3.424
83 H PHE 11 HN PHE 11 0.768 0.064 1.406
84 HA PHE 11 HA PHE 11 2.897 -1.768 2.010
85 1HB PHE 11 HB2 PHE 11 0.237 -1.927 1.650
86 2HB PHE 11 HB1 PHE 11 0.753 -2.456 0.048
87 HD1 PHE 11 HD1 PHE 11 2.790 -4.195 0.080
88 HD2 PHE 11 HD2 PHE 11 0.035 -3.546 3.312
89 HE1 PHE 11 HE1 PHE 11 3.331 -6.436 0.992
90 HE2 PHE 11 HE2 PHE 11 0.577 -5.789 4.223
91 HZ PHE 11 HZ PHE 11 2.225 -7.234 3.063
92 H ASN 12 HN ASN 12 1.657 -0.505 -1.103
93 HA ASN 12 HA ASN 12 3.526 -1.931 -2.763
94 1HB ASN 12 HB2 ASN 12 1.271 -0.457 -3.110
95 2HB ASN 12 HB1 ASN 12 2.486 0.721 -3.607
96 1HD2 ASN 12 HD21 ASN 12 0.886 -0.105 -5.651
97 2HD2 ASN 12 HD22 ASN 12 1.683 -1.218 -6.656
98 H ARG 13 HN ARG 13 3.539 1.383 -1.416
99 HA ARG 13 HA ARG 13 5.959 2.281 -2.620
100 1HB ARG 13 HB2 ARG 13 4.125 3.003 -0.449
101 2HB ARG 13 HB1 ARG 13 5.788 3.495 -0.125
102 1HG ARG 13 HG2 ARG 13 5.441 4.157 -2.798
103 2HG ARG 13 HG1 ARG 13 3.885 4.564 -2.073
104 1HD ARG 13 HD2 ARG 13 6.624 5.589 -1.269
105 2HD ARG 13 HD1 ARG 13 5.215 6.532 -1.798
106 HE ARG 13 HE ARG 13 4.226 5.188 0.375
107 1HH1 ARG 13 HH21 ARG 13 6.107 7.889 -0.203
108 2HH1 ARG 13 HH22 ARG 13 6.666 8.077 1.426
109 1HH2 ARG 13 HH11 ARG 13 5.359 5.049 2.501
110 2HH2 ARG 13 HH12 ARG 13 6.243 6.468 2.957
111 H SER 14 HN SER 14 5.389 0.615 0.493
112 HA SER 14 HA SER 14 8.146 0.620 1.336
113 1HB SER 14 HB2 SER 14 5.688 0.014 2.396
114 2HB SER 14 HB1 SER 14 6.386 -1.591 2.198
115 HG SER 14 HG SER 14 6.894 0.182 4.081
116 H PHE 15 HN PHE 15 6.140 -1.759 -0.414
117 HA PHE 15 HA PHE 15 8.092 -3.854 -0.526
118 1HB PHE 15 HB2 PHE 15 5.790 -4.307 -0.990
119 2HB PHE 15 HB1 PHE 15 5.717 -3.038 -2.213
120 HD1 PHE 15 HD1 PHE 15 8.445 -5.524 -1.735
121 HD2 PHE 15 HD2 PHE 15 5.119 -4.285 -4.154
122 HE1 PHE 15 HE1 PHE 15 9.102 -7.161 -3.478
123 HE2 PHE 15 HE2 PHE 15 5.776 -5.922 -5.897
124 HZ PHE 15 HZ PHE 15 7.767 -7.361 -5.559
125 H THR 16 HN THR 16 7.445 -1.077 -2.653
126 HA THR 16 HA THR 16 8.930 -1.616 -4.919
127 HB THR 16 HB THR 16 8.682 0.856 -3.195
128 HG1 THR 16 HG1 THR 16 7.648 0.290 -5.763
129 1HG2 THR 16 HG21 THR 16 10.795 0.952 -4.521
130 2HG2 THR 16 HG22 THR 16 9.615 2.161 -5.025
131 3HG2 THR 16 HG23 THR 16 9.848 0.701 -5.988
132 H GLN 17 HN GLN 17 10.163 -1.089 -1.670
133 HA GLN 17 HA GLN 17 12.931 -1.605 -2.704
134 1HB GLN 17 HB2 GLN 17 11.783 0.631 -1.176
135 2HB GLN 17 HB1 GLN 17 13.239 -0.042 -0.444
136 1HG GLN 17 HG2 GLN 17 14.577 0.517 -2.252
137 2HG GLN 17 HG1 GLN 17 13.234 0.461 -3.395
138 1HE2 GLN 17 HE21 GLN 17 14.472 2.415 -0.635
139 2HE2 GLN 17 HE22 GLN 17 13.819 3.881 -1.186
140 H ALA 18 HN ALA 18 11.591 -1.128 0.569
141 HA ALA 18 HA ALA 18 11.405 -3.844 1.366
142 1HB ALA 18 HB1 ALA 18 13.793 -3.562 2.647
143 2HB ALA 18 HB2 ALA 18 14.119 -2.662 1.167
144 3HB ALA 18 HB3 ALA 18 13.622 -4.352 1.080
145 1HN NH2 19 1HN NH2 19 10.409 -3.776 3.415
146 2HN NH2 19 2HN NH2 19 10.506 -2.472 4.498
Start of MODEL 17
1 1H SER 1 1H SER 1 -7.743 8.663 4.013
2 2H SER 1 2H SER 1 -8.765 10.011 3.855
3 3H SER 1 3H SER 1 -7.090 10.179 3.623
4 HA SER 1 HA SER 1 -8.723 9.980 1.581
5 1HB SER 1 HB2 SER 1 -5.948 9.040 2.186
6 2HB SER 1 HB1 SER 1 -6.603 8.694 0.587
7 HG SER 1 HG SER 1 -5.602 10.969 1.495
8 H GLY 2 HN GLY 2 -9.508 7.867 3.644
9 1HA GLY 2 HA2 GLY 2 -10.968 5.991 3.026
10 2HA GLY 2 HA1 GLY 2 -9.878 5.649 1.681
11 H THR 3 HN THR 3 -9.921 3.422 2.672
12 HA THR 3 HA THR 3 -7.839 3.224 4.824
13 HB THR 3 HB THR 3 -9.157 1.457 5.825
14 HG1 THR 3 HG1 THR 3 -10.041 0.387 4.173
15 1HG2 THR 3 HG21 THR 3 -10.906 2.738 6.663
16 2HG2 THR 3 HG22 THR 3 -11.281 3.439 5.088
17 3HG2 THR 3 HG23 THR 3 -9.866 3.992 5.984
18 H LEU 4 HN LEU 4 -9.577 1.326 2.322
19 HA LEU 4 HA LEU 4 -7.552 -0.697 2.061
20 1HB LEU 4 HB2 LEU 4 -10.048 0.180 0.789
21 2HB LEU 4 HB1 LEU 4 -8.919 -0.555 -0.350
22 HG LEU 4 HG LEU 4 -8.934 -2.093 2.079
23 1HD1 LEU 4 HD11 LEU 4 -11.133 -2.456 2.555
24 2HD1 LEU 4 HD12 LEU 4 -11.617 -2.340 0.863
25 3HD1 LEU 4 HD13 LEU 4 -11.367 -0.874 1.811
26 1HD2 LEU 4 HD21 LEU 4 -8.284 -2.901 -0.161
27 2HD2 LEU 4 HD22 LEU 4 -9.939 -2.672 -0.728
28 3HD2 LEU 4 HD23 LEU 4 -9.588 -3.886 0.502
29 H SER 5 HN SER 5 -8.352 2.053 -0.108
30 HA SER 5 HA SER 5 -6.256 1.815 -1.946
31 1HB SER 5 HB2 SER 5 -6.890 4.544 -0.971
32 2HB SER 5 HB1 SER 5 -7.002 3.881 -2.598
33 HG SER 5 HG SER 5 -8.839 3.823 -0.488
34 H THR 6 HN THR 6 -6.175 3.956 0.939
35 HA THR 6 HA THR 6 -3.489 4.715 0.866
36 HB THR 6 HB THR 6 -3.974 4.387 3.537
37 HG1 THR 6 HG1 THR 6 -6.128 4.385 3.877
38 1HG2 THR 6 HG21 THR 6 -5.254 6.640 3.255
39 2HG2 THR 6 HG22 THR 6 -4.871 6.453 1.544
40 3HG2 THR 6 HG23 THR 6 -3.572 6.554 2.732
41 H PHE 7 HN PHE 7 -4.722 1.997 2.866
42 HA PHE 7 HA PHE 7 -2.359 0.835 3.700
43 1HB PHE 7 HB2 PHE 7 -5.080 -0.069 2.972
44 2HB PHE 7 HB1 PHE 7 -3.869 -1.350 3.008
45 HD1 PHE 7 HD1 PHE 7 -4.354 1.767 5.042
46 HD2 PHE 7 HD2 PHE 7 -3.999 -2.514 5.026
47 HE1 PHE 7 HE1 PHE 7 -4.441 1.750 7.521
48 HE2 PHE 7 HE2 PHE 7 -4.086 -2.530 7.504
49 HZ PHE 7 HZ PHE 7 -4.307 -0.399 8.751
50 H PHE 8 HN PHE 8 -3.866 0.479 0.490
51 HA PHE 8 HA PHE 8 -1.917 -1.375 -0.558
52 1HB PHE 8 HB2 PHE 8 -4.329 -0.631 -1.316
53 2HB PHE 8 HB1 PHE 8 -3.455 0.610 -2.212
54 HD1 PHE 8 HD1 PHE 8 -1.235 -0.382 -3.438
55 HD2 PHE 8 HD2 PHE 8 -4.788 -2.595 -2.473
56 HE1 PHE 8 HE1 PHE 8 -0.680 -2.040 -5.197
57 HE2 PHE 8 HE2 PHE 8 -4.233 -4.253 -4.231
58 HZ PHE 8 HZ PHE 8 -2.179 -3.975 -5.594
59 H ARG 9 HN ARG 9 -2.129 2.159 -0.408
60 HA ARG 9 HA ARG 9 0.030 2.717 -2.240
61 1HB ARG 9 HB2 ARG 9 -1.161 4.245 0.099
62 2HB ARG 9 HB1 ARG 9 -0.085 4.949 -1.110
63 1HG ARG 9 HG2 ARG 9 -1.796 4.023 -2.840
64 2HG ARG 9 HG1 ARG 9 -2.894 3.920 -1.462
65 1HD ARG 9 HD2 ARG 9 -3.224 6.167 -1.454
66 2HD ARG 9 HD1 ARG 9 -1.482 6.489 -1.567
67 HE ARG 9 HE ARG 9 -2.254 5.466 -4.074
68 1HH1 ARG 9 HH21 ARG 9 -2.417 8.271 -2.111
69 2HH1 ARG 9 HH22 ARG 9 -3.026 9.292 -3.372
70 1HH2 ARG 9 HH11 ARG 9 -3.284 6.725 -5.688
71 2HH2 ARG 9 HH12 ARG 9 -3.517 8.416 -5.397
72 H LEU 10 HN LEU 10 -0.122 2.457 1.325
73 HA LEU 10 HA LEU 10 2.691 2.947 1.753
74 1HB LEU 10 HB2 LEU 10 0.274 2.309 3.229
75 2HB LEU 10 HB1 LEU 10 1.641 1.386 3.853
76 HG LEU 10 HG LEU 10 2.773 3.857 3.500
77 1HD1 LEU 10 HD11 LEU 10 1.242 5.542 4.293
78 2HD1 LEU 10 HD12 LEU 10 -0.014 4.338 4.588
79 3HD1 LEU 10 HD13 LEU 10 0.463 4.728 2.936
80 1HD2 LEU 10 HD21 LEU 10 1.445 3.609 6.098
81 2HD2 LEU 10 HD22 LEU 10 3.166 3.581 5.714
82 3HD2 LEU 10 HD23 LEU 10 2.209 2.105 5.585
83 H PHE 11 HN PHE 11 0.745 0.007 1.289
84 HA PHE 11 HA PHE 11 2.808 -1.893 1.913
85 1HB PHE 11 HB2 PHE 11 0.108 -1.780 0.850
86 2HB PHE 11 HB1 PHE 11 1.068 -2.983 -0.013
87 HD1 PHE 11 HD1 PHE 11 -1.055 -2.587 2.693
88 HD2 PHE 11 HD2 PHE 11 2.745 -4.323 1.699
89 HE1 PHE 11 HE1 PHE 11 -1.260 -4.136 4.619
90 HE2 PHE 11 HE2 PHE 11 2.541 -5.872 3.625
91 HZ PHE 11 HZ PHE 11 0.538 -5.779 5.084
92 H ASN 12 HN ASN 12 1.626 -0.696 -1.258
93 HA ASN 12 HA ASN 12 3.597 -2.035 -2.841
94 1HB ASN 12 HB2 ASN 12 1.387 -0.930 -3.503
95 2HB ASN 12 HB1 ASN 12 2.245 0.610 -3.432
96 1HD2 ASN 12 HD21 ASN 12 1.679 -2.204 -5.382
97 2HD2 ASN 12 HD22 ASN 12 2.758 -1.813 -6.632
98 H ARG 13 HN ARG 13 3.481 1.346 -1.647
99 HA ARG 13 HA ARG 13 5.962 2.219 -2.701
100 1HB ARG 13 HB2 ARG 13 3.988 3.405 -1.442
101 2HB ARG 13 HB1 ARG 13 4.933 3.047 0.004
102 1HG ARG 13 HG2 ARG 13 6.678 4.444 -0.620
103 2HG ARG 13 HG1 ARG 13 6.318 4.296 -2.340
104 1HD ARG 13 HD2 ARG 13 5.510 6.448 -1.937
105 2HD ARG 13 HD1 ARG 13 4.047 5.505 -1.589
106 HE ARG 13 HE ARG 13 5.749 5.689 0.745
107 1HH1 ARG 13 HH21 ARG 13 2.656 6.025 0.250
108 2HH1 ARG 13 HH22 ARG 13 2.441 7.618 0.896
109 1HH2 ARG 13 HH11 ARG 13 5.832 8.337 0.960
110 2HH2 ARG 13 HH12 ARG 13 4.239 8.927 1.298
111 H SER 14 HN SER 14 5.229 0.531 0.352
112 HA SER 14 HA SER 14 7.881 0.662 1.453
113 1HB SER 14 HB2 SER 14 5.576 -1.276 1.818
114 2HB SER 14 HB1 SER 14 6.981 -1.198 2.876
115 HG SER 14 HG SER 14 4.777 0.352 2.827
116 H PHE 15 HN PHE 15 6.196 -1.928 -0.366
117 HA PHE 15 HA PHE 15 8.408 -3.749 -0.436
118 1HB PHE 15 HB2 PHE 15 6.122 -4.426 -0.877
119 2HB PHE 15 HB1 PHE 15 6.004 -3.300 -2.230
120 HD1 PHE 15 HD1 PHE 15 5.503 -4.971 -3.921
121 HD2 PHE 15 HD2 PHE 15 9.039 -5.274 -1.499
122 HE1 PHE 15 HE1 PHE 15 6.400 -6.707 -5.448
123 HE2 PHE 15 HE2 PHE 15 9.935 -7.011 -3.026
124 HZ PHE 15 HZ PHE 15 8.616 -7.727 -5.000
125 H THR 16 HN THR 16 7.575 -0.950 -2.396
126 HA THR 16 HA THR 16 9.438 -1.577 -4.560
127 HB THR 16 HB THR 16 8.878 1.004 -4.912
128 HG1 THR 16 HG1 THR 16 6.596 0.325 -3.486
129 1HG2 THR 16 HG21 THR 16 7.052 -1.377 -5.201
130 2HG2 THR 16 HG22 THR 16 8.006 -0.566 -6.444
131 3HG2 THR 16 HG23 THR 16 6.574 0.220 -5.779
132 H GLN 17 HN GLN 17 9.379 1.089 -2.155
133 HA GLN 17 HA GLN 17 11.886 2.189 -2.506
134 1HB GLN 17 HB2 GLN 17 10.029 1.721 -0.244
135 2HB GLN 17 HB1 GLN 17 11.678 2.146 0.215
136 1HG GLN 17 HG2 GLN 17 10.363 3.737 -1.950
137 2HG GLN 17 HG1 GLN 17 9.871 4.032 -0.282
138 1HE2 GLN 17 HE21 GLN 17 11.018 5.816 0.478
139 2HE2 GLN 17 HE22 GLN 17 12.673 6.091 0.218
140 H ALA 18 HN ALA 18 11.311 -0.413 -0.101
141 HA ALA 18 HA ALA 18 14.091 -1.395 -0.663
142 1HB ALA 18 HB1 ALA 18 13.707 -2.078 1.909
143 2HB ALA 18 HB2 ALA 18 12.615 -0.695 1.834
144 3HB ALA 18 HB3 ALA 18 14.324 -0.491 1.449
145 1HN NH2 19 1HN NH2 19 12.478 -2.777 -2.204
146 2HN NH2 19 2HN NH2 19 11.909 -4.221 -1.516
Start of MODEL 18
1 1H SER 1 1H SER 1 -17.968 -0.290 2.990
2 2H SER 1 2H SER 1 -17.268 1.252 3.131
3 3H SER 1 3H SER 1 -18.261 0.650 4.371
4 HA SER 1 HA SER 1 -15.760 0.564 4.776
5 1HB SER 1 HB2 SER 1 -17.719 -0.635 5.918
6 2HB SER 1 HB1 SER 1 -17.326 -2.024 4.910
7 HG SER 1 HG SER 1 -15.875 -0.826 6.988
8 H GLY 2 HN GLY 2 -15.241 0.615 2.170
9 1HA GLY 2 HA2 GLY 2 -13.658 -1.825 1.726
10 2HA GLY 2 HA1 GLY 2 -14.903 -1.509 0.515
11 H THR 3 HN THR 3 -11.964 -0.193 1.988
12 HA THR 3 HA THR 3 -11.661 1.578 -0.418
13 HB THR 3 HB THR 3 -10.048 2.623 1.551
14 HG1 THR 3 HG1 THR 3 -11.036 2.386 3.462
15 1HG2 THR 3 HG21 THR 3 -11.335 4.262 0.657
16 2HG2 THR 3 HG22 THR 3 -12.432 3.910 1.992
17 3HG2 THR 3 HG23 THR 3 -12.704 3.177 0.412
18 H LEU 4 HN LEU 4 -9.359 0.662 2.130
19 HA LEU 4 HA LEU 4 -7.302 -0.503 2.012
20 1HB LEU 4 HB2 LEU 4 -8.257 -1.443 -0.703
21 2HB LEU 4 HB1 LEU 4 -7.203 -2.283 0.431
22 HG LEU 4 HG LEU 4 -10.169 -1.760 0.712
23 1HD1 LEU 4 HD11 LEU 4 -9.905 -4.336 1.228
24 2HD1 LEU 4 HD12 LEU 4 -8.390 -4.148 0.346
25 3HD1 LEU 4 HD13 LEU 4 -9.922 -3.767 -0.440
26 1HD2 LEU 4 HD21 LEU 4 -9.422 -3.246 2.906
27 2HD2 LEU 4 HD22 LEU 4 -9.730 -1.510 2.929
28 3HD2 LEU 4 HD23 LEU 4 -8.080 -2.111 2.760
29 H SER 5 HN SER 5 -8.180 2.046 0.072
30 HA SER 5 HA SER 5 -6.228 2.168 -1.984
31 1HB SER 5 HB2 SER 5 -6.653 4.620 -1.782
32 2HB SER 5 HB1 SER 5 -8.143 3.683 -1.749
33 HG SER 5 HG SER 5 -7.560 5.419 -0.033
34 H THR 6 HN THR 6 -6.028 4.026 1.073
35 HA THR 6 HA THR 6 -3.309 4.684 0.964
36 HB THR 6 HB THR 6 -3.743 4.331 3.627
37 HG1 THR 6 HG1 THR 6 -5.972 4.580 3.954
38 1HG2 THR 6 HG21 THR 6 -3.708 6.570 3.454
39 2HG2 THR 6 HG22 THR 6 -5.342 6.560 2.791
40 3HG2 THR 6 HG23 THR 6 -3.952 6.422 1.714
41 H PHE 7 HN PHE 7 -4.645 1.947 2.872
42 HA PHE 7 HA PHE 7 -2.339 0.662 3.672
43 1HB PHE 7 HB2 PHE 7 -4.892 -0.484 2.497
44 2HB PHE 7 HB1 PHE 7 -3.714 -1.441 3.397
45 HD1 PHE 7 HD1 PHE 7 -2.969 -0.347 5.723
46 HD2 PHE 7 HD2 PHE 7 -6.665 0.449 3.684
47 HE1 PHE 7 HE1 PHE 7 -3.983 0.404 7.858
48 HE2 PHE 7 HE2 PHE 7 -7.680 1.201 5.819
49 HZ PHE 7 HZ PHE 7 -6.340 1.179 7.905
50 H PHE 8 HN PHE 8 -3.825 0.461 0.434
51 HA PHE 8 HA PHE 8 -1.883 -1.392 -0.647
52 1HB PHE 8 HB2 PHE 8 -4.033 0.446 -1.642
53 2HB PHE 8 HB1 PHE 8 -2.906 -0.237 -2.815
54 HD1 PHE 8 HD1 PHE 8 -4.281 -1.708 0.339
55 HD2 PHE 8 HD2 PHE 8 -4.097 -1.920 -3.947
56 HE1 PHE 8 HE1 PHE 8 -5.523 -3.854 0.392
57 HE2 PHE 8 HE2 PHE 8 -5.340 -4.067 -3.894
58 HZ PHE 8 HZ PHE 8 -6.052 -5.034 -1.724
59 H ARG 9 HN ARG 9 -2.086 2.138 -0.420
60 HA ARG 9 HA ARG 9 0.077 2.715 -2.250
61 1HB ARG 9 HB2 ARG 9 -1.862 4.153 -1.168
62 2HB ARG 9 HB1 ARG 9 -0.665 4.440 0.096
63 1HG ARG 9 HG2 ARG 9 0.907 4.931 -1.996
64 2HG ARG 9 HG1 ARG 9 -0.637 5.294 -2.768
65 1HD ARG 9 HD2 ARG 9 -0.156 6.453 -0.051
66 2HD ARG 9 HD1 ARG 9 0.690 7.185 -1.430
67 HE ARG 9 HE ARG 9 -2.235 6.679 -1.664
68 1HH1 ARG 9 HH21 ARG 9 -1.469 9.071 0.057
69 2HH1 ARG 9 HH22 ARG 9 -1.496 10.349 -1.113
70 1HH2 ARG 9 HH11 ARG 9 -1.440 8.210 -3.842
71 2HH2 ARG 9 HH12 ARG 9 -1.479 9.861 -3.320
72 H LEU 10 HN LEU 10 -0.111 2.295 1.288
73 HA LEU 10 HA LEU 10 2.698 2.862 1.753
74 1HB LEU 10 HB2 LEU 10 0.358 2.583 3.221
75 2HB LEU 10 HB1 LEU 10 1.294 1.163 3.691
76 HG LEU 10 HG LEU 10 3.015 3.480 3.575
77 1HD1 LEU 10 HD11 LEU 10 1.985 4.701 5.496
78 2HD1 LEU 10 HD12 LEU 10 0.549 3.691 5.329
79 3HD1 LEU 10 HD13 LEU 10 1.010 4.792 4.030
80 1HD2 LEU 10 HD21 LEU 10 3.721 2.670 5.673
81 2HD2 LEU 10 HD22 LEU 10 3.141 1.215 4.861
82 3HD2 LEU 10 HD23 LEU 10 2.128 2.019 6.059
83 H PHE 11 HN PHE 11 0.776 -0.108 1.319
84 HA PHE 11 HA PHE 11 2.906 -1.959 1.904
85 1HB PHE 11 HB2 PHE 11 0.155 -1.923 0.987
86 2HB PHE 11 HB1 PHE 11 1.091 -3.111 0.078
87 HD1 PHE 11 HD1 PHE 11 -0.487 -2.338 3.229
88 HD2 PHE 11 HD2 PHE 11 2.498 -4.804 1.370
89 HE1 PHE 11 HE1 PHE 11 -0.547 -3.875 5.174
90 HE2 PHE 11 HE2 PHE 11 2.438 -6.341 3.315
91 HZ PHE 11 HZ PHE 11 0.917 -5.877 5.217
92 H ASN 12 HN ASN 12 1.636 -0.651 -1.177
93 HA ASN 12 HA ASN 12 3.524 -2.057 -2.853
94 1HB ASN 12 HB2 ASN 12 1.227 -0.885 -3.322
95 2HB ASN 12 HB1 ASN 12 2.206 0.567 -3.528
96 1HD2 ASN 12 HD21 ASN 12 3.750 0.609 -5.327
97 2HD2 ASN 12 HD22 ASN 12 3.639 -0.506 -6.603
98 H ARG 13 HN ARG 13 3.403 1.308 -1.629
99 HA ARG 13 HA ARG 13 5.831 2.204 -2.835
100 1HB ARG 13 HB2 ARG 13 3.883 3.441 -1.636
101 2HB ARG 13 HB1 ARG 13 4.782 3.110 -0.155
102 1HG ARG 13 HG2 ARG 13 6.497 4.151 -2.279
103 2HG ARG 13 HG1 ARG 13 5.198 5.268 -1.858
104 1HD ARG 13 HD2 ARG 13 6.181 4.233 0.597
105 2HD ARG 13 HD1 ARG 13 7.596 4.693 -0.370
106 HE ARG 13 HE ARG 13 6.400 6.910 -0.746
107 1HH1 ARG 13 HH21 ARG 13 4.645 4.977 1.377
108 2HH1 ARG 13 HH22 ARG 13 4.468 6.187 2.605
109 1HH2 ARG 13 HH11 ARG 13 6.611 8.438 1.069
110 2HH2 ARG 13 HH12 ARG 13 5.581 8.146 2.430
111 H SER 14 HN SER 14 5.198 0.733 0.360
112 HA SER 14 HA SER 14 7.915 0.912 1.309
113 1HB SER 14 HB2 SER 14 7.058 -0.676 3.006
114 2HB SER 14 HB1 SER 14 5.907 0.627 2.721
115 HG SER 14 HG SER 14 5.246 -1.769 2.679
116 H PHE 15 HN PHE 15 6.078 -1.656 -0.355
117 HA PHE 15 HA PHE 15 8.092 -3.683 -0.243
118 1HB PHE 15 HB2 PHE 15 5.563 -3.092 -1.598
119 2HB PHE 15 HB1 PHE 15 6.654 -4.055 -2.595
120 HD1 PHE 15 HD1 PHE 15 4.933 -3.895 0.693
121 HD2 PHE 15 HD2 PHE 15 7.156 -6.333 -2.056
122 HE1 PHE 15 HE1 PHE 15 4.385 -5.906 2.035
123 HE2 PHE 15 HE2 PHE 15 6.609 -8.346 -0.715
124 HZ PHE 15 HZ PHE 15 5.223 -8.133 1.332
125 H THR 16 HN THR 16 7.410 -1.166 -2.685
126 HA THR 16 HA THR 16 9.393 -1.958 -4.586
127 HB THR 16 HB THR 16 9.132 0.503 -5.250
128 HG1 THR 16 HG1 THR 16 8.355 1.732 -3.762
129 1HG2 THR 16 HG21 THR 16 7.198 -1.652 -5.208
130 2HG2 THR 16 HG22 THR 16 7.512 -0.464 -6.473
131 3HG2 THR 16 HG23 THR 16 6.386 -0.087 -5.170
132 H GLN 17 HN GLN 17 9.626 -0.241 -1.545
133 HA GLN 17 HA GLN 17 12.465 0.497 -2.139
134 1HB GLN 17 HB2 GLN 17 10.801 2.232 -1.412
135 2HB GLN 17 HB1 GLN 17 10.608 1.353 0.105
136 1HG GLN 17 HG2 GLN 17 12.814 1.809 0.795
137 2HG GLN 17 HG1 GLN 17 13.338 2.210 -0.841
138 1HE2 GLN 17 HE21 GLN 17 14.056 4.205 0.693
139 2HE2 GLN 17 HE22 GLN 17 12.957 5.498 0.710
140 H ALA 18 HN ALA 18 10.552 -1.785 -0.459
141 HA ALA 18 HA ALA 18 11.135 -3.495 1.066
142 1HB ALA 18 HB1 ALA 18 13.991 -2.695 0.500
143 2HB ALA 18 HB2 ALA 18 13.008 -3.482 -0.736
144 3HB ALA 18 HB3 ALA 18 13.342 -4.309 0.786
145 1HN NH2 19 1HN NH2 19 10.328 -1.559 2.634
146 2HN NH2 19 2HN NH2 19 11.441 -1.102 3.831
Start of MODEL 19
1 1H SER 1 1H SER 1 -16.952 -0.052 5.672
2 2H SER 1 2H SER 1 -16.698 1.478 6.366
3 3H SER 1 3H SER 1 -15.506 0.275 6.498
4 HA SER 1 HA SER 1 -16.333 1.100 3.803
5 1HB SER 1 HB2 SER 1 -14.216 2.655 5.216
6 2HB SER 1 HB1 SER 1 -15.340 3.177 3.964
7 HG SER 1 HG SER 1 -16.935 3.348 5.476
8 H GLY 2 HN GLY 2 -15.261 -0.528 2.722
9 1HA GLY 2 HA2 GLY 2 -12.637 -1.455 3.758
10 2HA GLY 2 HA1 GLY 2 -13.600 -2.274 2.526
11 H THR 3 HN THR 3 -12.395 1.085 2.813
12 HA THR 3 HA THR 3 -11.934 1.497 0.056
13 HB THR 3 HB THR 3 -9.994 2.964 1.433
14 HG1 THR 3 HG1 THR 3 -10.672 3.223 3.420
15 1HG2 THR 3 HG21 THR 3 -11.256 4.627 0.591
16 2HG2 THR 3 HG22 THR 3 -12.634 4.169 1.591
17 3HG2 THR 3 HG23 THR 3 -12.378 3.388 0.030
18 H LEU 4 HN LEU 4 -9.348 0.918 2.469
19 HA LEU 4 HA LEU 4 -7.379 -0.398 2.298
20 1HB LEU 4 HB2 LEU 4 -9.338 -1.623 0.691
21 2HB LEU 4 HB1 LEU 4 -7.900 -1.531 -0.326
22 HG LEU 4 HG LEU 4 -8.013 -3.619 1.069
23 1HD1 LEU 4 HD11 LEU 4 -5.663 -2.444 2.268
24 2HD1 LEU 4 HD12 LEU 4 -5.847 -1.861 0.613
25 3HD1 LEU 4 HD13 LEU 4 -5.766 -3.594 0.934
26 1HD2 LEU 4 HD21 LEU 4 -7.187 -2.104 3.479
27 2HD2 LEU 4 HD22 LEU 4 -8.188 -3.551 3.348
28 3HD2 LEU 4 HD23 LEU 4 -8.891 -1.962 3.048
29 H SER 5 HN SER 5 -8.295 2.088 0.256
30 HA SER 5 HA SER 5 -6.393 2.098 -1.841
31 1HB SER 5 HB2 SER 5 -6.675 4.733 -1.098
32 2HB SER 5 HB1 SER 5 -7.836 3.845 -2.083
33 HG SER 5 HG SER 5 -9.132 3.643 -0.394
34 H THR 6 HN THR 6 -6.077 4.069 1.135
35 HA THR 6 HA THR 6 -3.362 4.698 0.930
36 HB THR 6 HB THR 6 -3.707 4.407 3.612
37 HG1 THR 6 HG1 THR 6 -5.784 4.302 4.112
38 1HG2 THR 6 HG21 THR 6 -5.211 6.657 3.103
39 2HG2 THR 6 HG22 THR 6 -4.312 6.458 1.598
40 3HG2 THR 6 HG23 THR 6 -3.449 6.606 3.129
41 H PHE 7 HN PHE 7 -4.671 1.990 2.900
42 HA PHE 7 HA PHE 7 -2.357 0.710 3.685
43 1HB PHE 7 HB2 PHE 7 -4.960 -0.385 2.587
44 2HB PHE 7 HB1 PHE 7 -3.753 -1.410 3.365
45 HD1 PHE 7 HD1 PHE 7 -6.693 0.326 3.961
46 HD2 PHE 7 HD2 PHE 7 -2.787 -0.247 5.653
47 HE1 PHE 7 HE1 PHE 7 -7.560 0.993 6.187
48 HE2 PHE 7 HE2 PHE 7 -3.653 0.421 7.879
49 HZ PHE 7 HZ PHE 7 -6.040 1.040 8.146
50 H PHE 8 HN PHE 8 -3.898 0.434 0.475
51 HA PHE 8 HA PHE 8 -1.958 -1.407 -0.613
52 1HB PHE 8 HB2 PHE 8 -4.386 -0.154 -1.330
53 2HB PHE 8 HB1 PHE 8 -3.218 0.330 -2.559
54 HD1 PHE 8 HD1 PHE 8 -1.500 -1.776 -3.113
55 HD2 PHE 8 HD2 PHE 8 -5.608 -2.053 -1.886
56 HE1 PHE 8 HE1 PHE 8 -1.660 -4.022 -4.153
57 HE2 PHE 8 HE2 PHE 8 -5.767 -4.299 -2.926
58 HZ PHE 8 HZ PHE 8 -3.793 -5.283 -4.060
59 H ARG 9 HN ARG 9 -2.185 2.129 -0.450
60 HA ARG 9 HA ARG 9 -0.054 2.705 -2.303
61 1HB ARG 9 HB2 ARG 9 -1.967 4.118 -1.058
62 2HB ARG 9 HB1 ARG 9 -0.632 4.460 0.044
63 1HG ARG 9 HG2 ARG 9 -0.173 6.126 -1.445
64 2HG ARG 9 HG1 ARG 9 0.605 4.827 -2.349
65 1HD ARG 9 HD2 ARG 9 -0.906 6.038 -3.850
66 2HD ARG 9 HD1 ARG 9 -1.596 4.434 -3.531
67 HE ARG 9 HE ARG 9 -2.910 5.623 -1.657
68 1HH1 ARG 9 HH21 ARG 9 -3.619 6.167 -4.675
69 2HH1 ARG 9 HH22 ARG 9 -4.002 7.853 -4.575
70 1HH2 ARG 9 HH11 ARG 9 -2.597 8.256 -1.431
71 2HH2 ARG 9 HH12 ARG 9 -3.424 9.036 -2.738
72 H LEU 10 HN LEU 10 -0.133 2.477 1.270
73 HA LEU 10 HA LEU 10 2.683 2.934 1.650
74 1HB LEU 10 HB2 LEU 10 0.302 2.383 3.157
75 2HB LEU 10 HB1 LEU 10 1.577 1.297 3.712
76 HG LEU 10 HG LEU 10 2.367 4.126 3.265
77 1HD1 LEU 10 HD11 LEU 10 0.027 3.591 4.722
78 2HD1 LEU 10 HD12 LEU 10 0.982 5.073 4.771
79 3HD1 LEU 10 HD13 LEU 10 1.287 3.789 5.940
80 1HD2 LEU 10 HD21 LEU 10 2.893 2.016 5.379
81 2HD2 LEU 10 HD22 LEU 10 3.600 3.631 5.403
82 3HD2 LEU 10 HD23 LEU 10 3.988 2.518 4.092
83 H PHE 11 HN PHE 11 0.730 -0.020 1.253
84 HA PHE 11 HA PHE 11 2.797 -1.922 1.794
85 1HB PHE 11 HB2 PHE 11 0.099 -1.786 0.683
86 2HB PHE 11 HB1 PHE 11 1.073 -3.024 -0.110
87 HD1 PHE 11 HD1 PHE 11 -0.853 -2.206 2.791
88 HD2 PHE 11 HD2 PHE 11 2.415 -4.635 1.421
89 HE1 PHE 11 HE1 PHE 11 -1.130 -3.689 4.760
90 HE2 PHE 11 HE2 PHE 11 2.137 -6.118 3.390
91 HZ PHE 11 HZ PHE 11 0.365 -5.644 5.059
92 H ASN 12 HN ASN 12 1.611 -0.635 -1.337
93 HA ASN 12 HA ASN 12 3.523 -1.959 -2.991
94 1HB ASN 12 HB2 ASN 12 1.340 -0.675 -3.527
95 2HB ASN 12 HB1 ASN 12 2.341 0.778 -3.493
96 1HD2 ASN 12 HD21 ASN 12 1.269 -1.743 -5.517
97 2HD2 ASN 12 HD22 ASN 12 2.400 -1.546 -6.767
98 H ARG 13 HN ARG 13 3.547 1.393 -1.703
99 HA ARG 13 HA ARG 13 6.076 2.177 -2.709
100 1HB ARG 13 HB2 ARG 13 4.047 3.210 -1.137
101 2HB ARG 13 HB1 ARG 13 5.403 3.134 -0.012
102 1HG ARG 13 HG2 ARG 13 5.475 5.283 -1.129
103 2HG ARG 13 HG1 ARG 13 6.812 4.304 -1.734
104 1HD ARG 13 HD2 ARG 13 4.874 3.594 -3.508
105 2HD ARG 13 HD1 ARG 13 4.396 5.268 -3.161
106 HE ARG 13 HE ARG 13 6.792 5.900 -3.679
107 1HH1 ARG 13 HH21 ARG 13 4.965 3.965 -5.650
108 2HH1 ARG 13 HH22 ARG 13 6.282 3.322 -6.573
109 1HH2 ARG 13 HH11 ARG 13 8.727 4.619 -4.485
110 2HH2 ARG 13 HH12 ARG 13 8.412 3.692 -5.913
111 H SER 14 HN SER 14 5.326 0.889 0.558
112 HA SER 14 HA SER 14 7.937 0.707 1.572
113 1HB SER 14 HB2 SER 14 5.333 -0.690 1.948
114 2HB SER 14 HB1 SER 14 6.750 -1.460 2.655
115 HG SER 14 HG SER 14 5.740 0.062 4.065
116 H PHE 15 HN PHE 15 6.156 -1.747 -0.334
117 HA PHE 15 HA PHE 15 8.166 -3.750 -0.386
118 1HB PHE 15 HB2 PHE 15 5.752 -3.862 -1.133
119 2HB PHE 15 HB1 PHE 15 6.227 -2.991 -2.592
120 HD1 PHE 15 HD1 PHE 15 8.393 -4.011 -3.803
121 HD2 PHE 15 HD2 PHE 15 5.738 -6.189 -1.223
122 HE1 PHE 15 HE1 PHE 15 9.138 -6.140 -4.834
123 HE2 PHE 15 HE2 PHE 15 6.483 -8.318 -2.253
124 HZ PHE 15 HZ PHE 15 8.183 -8.293 -4.058
125 H THR 16 HN THR 16 7.580 -1.054 -2.668
126 HA THR 16 HA THR 16 9.578 -1.572 -4.568
127 HB THR 16 HB THR 16 8.785 1.108 -3.381
128 HG1 THR 16 HG1 THR 16 7.596 -0.258 -5.551
129 1HG2 THR 16 HG21 THR 16 10.449 1.647 -4.889
130 2HG2 THR 16 HG22 THR 16 9.067 1.594 -5.982
131 3HG2 THR 16 HG23 THR 16 10.162 0.215 -5.879
132 H GLN 17 HN GLN 17 9.895 -0.041 -1.372
133 HA GLN 17 HA GLN 17 12.706 0.632 -1.699
134 1HB GLN 17 HB2 GLN 17 10.628 0.598 0.458
135 2HB GLN 17 HB1 GLN 17 12.320 0.729 0.940
136 1HG GLN 17 HG2 GLN 17 11.195 2.501 -1.222
137 2HG GLN 17 HG1 GLN 17 11.011 2.926 0.479
138 1HE2 GLN 17 HE21 GLN 17 13.339 2.615 -2.148
139 2HE2 GLN 17 HE22 GLN 17 14.653 3.285 -1.308
140 H ALA 18 HN ALA 18 11.342 -1.506 0.810
141 HA ALA 18 HA ALA 18 12.091 -3.606 1.604
142 1HB ALA 18 HB1 ALA 18 12.238 -3.574 -1.214
143 2HB ALA 18 HB2 ALA 18 12.229 -4.997 -0.173
144 3HB ALA 18 HB3 ALA 18 13.760 -4.279 -0.670
145 1HN NH2 19 1HN NH2 19 14.226 -4.713 2.266
146 2HN NH2 19 2HN NH2 19 15.613 -3.746 2.421
Start of MODEL 20
1 1H SER 1 1H SER 1 -15.783 -0.785 -2.256
2 2H SER 1 2H SER 1 -16.570 -2.219 -2.717
3 3H SER 1 3H SER 1 -15.202 -2.282 -1.711
4 HA SER 1 HA SER 1 -17.912 -1.280 -1.023
5 1HB SER 1 HB2 SER 1 -16.679 -3.764 -0.966
6 2HB SER 1 HB1 SER 1 -16.449 -3.173 0.677
7 HG SER 1 HG SER 1 -18.739 -2.692 0.650
8 H GLY 2 HN GLY 2 -14.835 -2.030 0.653
9 1HA GLY 2 HA2 GLY 2 -15.294 0.235 2.477
10 2HA GLY 2 HA1 GLY 2 -13.987 -0.944 2.597
11 H THR 3 HN THR 3 -11.995 -0.348 1.843
12 HA THR 3 HA THR 3 -11.724 1.734 -0.229
13 HB THR 3 HB THR 3 -10.097 2.736 1.787
14 HG1 THR 3 HG1 THR 3 -11.839 2.909 3.469
15 1HG2 THR 3 HG21 THR 3 -11.200 4.434 0.764
16 2HG2 THR 3 HG22 THR 3 -12.404 4.208 2.032
17 3HG2 THR 3 HG23 THR 3 -12.625 3.442 0.459
18 H LEU 4 HN LEU 4 -9.443 0.897 2.352
19 HA LEU 4 HA LEU 4 -7.403 -0.300 2.294
20 1HB LEU 4 HB2 LEU 4 -8.439 -1.425 -0.320
21 2HB LEU 4 HB1 LEU 4 -7.349 -2.189 0.834
22 HG LEU 4 HG LEU 4 -10.271 -1.530 1.304
23 1HD1 LEU 4 HD11 LEU 4 -9.034 -3.735 0.065
24 2HD1 LEU 4 HD12 LEU 4 -10.701 -3.637 0.634
25 3HD1 LEU 4 HD13 LEU 4 -9.445 -4.279 1.692
26 1HD2 LEU 4 HD21 LEU 4 -8.102 -1.829 3.144
27 2HD2 LEU 4 HD22 LEU 4 -9.133 -3.254 3.282
28 3HD2 LEU 4 HD23 LEU 4 -9.817 -1.645 3.507
29 H SER 5 HN SER 5 -8.258 2.116 0.185
30 HA SER 5 HA SER 5 -6.339 2.040 -1.904
31 1HB SER 5 HB2 SER 5 -7.706 4.232 -0.334
32 2HB SER 5 HB1 SER 5 -6.633 4.597 -1.683
33 HG SER 5 HG SER 5 -8.028 3.704 -3.052
34 H THR 6 HN THR 6 -6.070 4.028 1.070
35 HA THR 6 HA THR 6 -3.352 4.689 0.866
36 HB THR 6 HB THR 6 -3.727 4.427 3.550
37 HG1 THR 6 HG1 THR 6 -6.153 5.053 3.497
38 1HG2 THR 6 HG21 THR 6 -5.241 6.559 2.069
39 2HG2 THR 6 HG22 THR 6 -3.483 6.485 1.956
40 3HG2 THR 6 HG23 THR 6 -4.256 6.706 3.525
41 H PHE 7 HN PHE 7 -4.648 2.021 2.899
42 HA PHE 7 HA PHE 7 -2.327 0.762 3.695
43 1HB PHE 7 HB2 PHE 7 -5.078 -0.049 2.958
44 2HB PHE 7 HB1 PHE 7 -3.904 -1.365 3.006
45 HD1 PHE 7 HD1 PHE 7 -5.827 1.023 4.962
46 HD2 PHE 7 HD2 PHE 7 -2.567 -1.771 5.091
47 HE1 PHE 7 HE1 PHE 7 -5.932 1.016 7.440
48 HE2 PHE 7 HE2 PHE 7 -2.671 -1.778 7.569
49 HZ PHE 7 HZ PHE 7 -4.354 -0.385 8.743
50 H PHE 8 HN PHE 8 -3.899 0.394 0.506
51 HA PHE 8 HA PHE 8 -1.972 -1.467 -0.559
52 1HB PHE 8 HB2 PHE 8 -4.298 0.096 -1.390
53 2HB PHE 8 HB1 PHE 8 -3.090 -0.019 -2.671
54 HD1 PHE 8 HD1 PHE 8 -3.956 -1.623 -4.170
55 HD2 PHE 8 HD2 PHE 8 -3.895 -2.459 0.042
56 HE1 PHE 8 HE1 PHE 8 -4.657 -3.959 -4.624
57 HE2 PHE 8 HE2 PHE 8 -4.596 -4.794 -0.411
58 HZ PHE 8 HZ PHE 8 -4.976 -5.544 -2.744
59 H ARG 9 HN ARG 9 -2.169 2.072 -0.454
60 HA ARG 9 HA ARG 9 -0.002 2.571 -2.306
61 1HB ARG 9 HB2 ARG 9 -1.966 4.020 -1.122
62 2HB ARG 9 HB1 ARG 9 -0.602 4.469 -0.096
63 1HG ARG 9 HG2 ARG 9 0.645 4.794 -2.392
64 2HG ARG 9 HG1 ARG 9 -0.993 4.939 -3.035
65 1HD ARG 9 HD2 ARG 9 -0.639 6.496 -0.579
66 2HD ARG 9 HD1 ARG 9 0.455 7.011 -1.879
67 HE ARG 9 HE ARG 9 -2.489 6.677 -2.328
68 1HH1 ARG 9 HH21 ARG 9 -0.546 7.199 -4.612
69 2HH1 ARG 9 HH22 ARG 9 -0.711 8.912 -4.810
70 1HH2 ARG 9 HH11 ARG 9 -2.255 9.383 -1.741
71 2HH2 ARG 9 HH12 ARG 9 -1.678 10.149 -3.184
72 H LEU 10 HN LEU 10 -0.206 2.381 1.256
73 HA LEU 10 HA LEU 10 2.572 2.963 1.750
74 1HB LEU 10 HB2 LEU 10 0.191 2.495 3.171
75 2HB LEU 10 HB1 LEU 10 1.293 1.224 3.700
76 HG LEU 10 HG LEU 10 2.886 3.515 3.617
77 1HD1 LEU 10 HD11 LEU 10 0.115 4.262 3.940
78 2HD1 LEU 10 HD12 LEU 10 1.540 5.300 3.887
79 3HD1 LEU 10 HD13 LEU 10 1.005 4.614 5.422
80 1HD2 LEU 10 HD21 LEU 10 2.012 1.533 5.457
81 2HD2 LEU 10 HD22 LEU 10 1.823 3.092 6.258
82 3HD2 LEU 10 HD23 LEU 10 3.395 2.614 5.619
83 H PHE 11 HN PHE 11 0.758 -0.066 1.272
84 HA PHE 11 HA PHE 11 2.943 -1.849 1.869
85 1HB PHE 11 HB2 PHE 11 0.199 -1.914 1.047
86 2HB PHE 11 HB1 PHE 11 1.121 -2.961 -0.033
87 HD1 PHE 11 HD1 PHE 11 3.025 -4.384 1.282
88 HD2 PHE 11 HD2 PHE 11 -0.632 -2.902 2.979
89 HE1 PHE 11 HE1 PHE 11 3.150 -6.109 3.060
90 HE2 PHE 11 HE2 PHE 11 -0.508 -4.627 4.756
91 HZ PHE 11 HZ PHE 11 1.384 -6.230 4.797
92 H ASN 12 HN ASN 12 1.652 -0.569 -1.215
93 HA ASN 12 HA ASN 12 3.504 -1.901 -2.941
94 1HB ASN 12 HB2 ASN 12 1.303 -0.242 -3.137
95 2HB ASN 12 HB1 ASN 12 2.605 0.787 -3.736
96 1HD2 ASN 12 HD21 ASN 12 0.308 -1.102 -4.979
97 2HD2 ASN 12 HD22 ASN 12 1.133 -1.819 -6.279
98 H ARG 13 HN ARG 13 3.560 1.442 -1.638
99 HA ARG 13 HA ARG 13 6.062 2.226 -2.726
100 1HB ARG 13 HB2 ARG 13 4.101 3.110 -0.801
101 2HB ARG 13 HB1 ARG 13 5.721 3.406 -0.168
102 1HG ARG 13 HG2 ARG 13 6.335 4.718 -2.058
103 2HG ARG 13 HG1 ARG 13 4.938 4.170 -2.986
104 1HD ARG 13 HD2 ARG 13 4.207 5.441 -0.430
105 2HD ARG 13 HD1 ARG 13 5.023 6.531 -1.567
106 HE ARG 13 HE ARG 13 2.686 4.849 -2.397
107 1HH1 ARG 13 HH21 ARG 13 3.525 7.956 -1.481
108 2HH1 ARG 13 HH22 ARG 13 2.887 8.738 -2.889
109 1HH2 ARG 13 HH11 ARG 13 2.270 5.776 -4.582
110 2HH2 ARG 13 HH12 ARG 13 2.177 7.504 -4.644
111 H SER 14 HN SER 14 5.346 0.838 0.503
112 HA SER 14 HA SER 14 8.032 0.714 1.441
113 1HB SER 14 HB2 SER 14 7.043 -1.003 2.981
114 2HB SER 14 HB1 SER 14 6.061 0.454 2.856
115 HG SER 14 HG SER 14 4.524 -0.794 2.184
116 H PHE 15 HN PHE 15 6.144 -1.524 -0.564
117 HA PHE 15 HA PHE 15 7.984 -3.731 -0.489
118 1HB PHE 15 HB2 PHE 15 5.596 -2.827 -1.938
119 2HB PHE 15 HB1 PHE 15 6.667 -3.816 -2.929
120 HD1 PHE 15 HD1 PHE 15 5.146 -5.729 -3.005
121 HD2 PHE 15 HD2 PHE 15 6.541 -4.144 0.735
122 HE1 PHE 15 HE1 PHE 15 4.344 -7.767 -1.843
123 HE2 PHE 15 HE2 PHE 15 5.738 -6.182 1.899
124 HZ PHE 15 HZ PHE 15 4.639 -7.994 0.609
125 H THR 16 HN THR 16 7.519 -1.138 -2.925
126 HA THR 16 HA THR 16 9.658 -1.895 -4.649
127 HB THR 16 HB THR 16 9.463 0.814 -4.921
128 HG1 THR 16 HG1 THR 16 8.102 0.921 -3.084
129 1HG2 THR 16 HG21 THR 16 8.647 -0.004 -6.848
130 2HG2 THR 16 HG22 THR 16 7.087 -0.225 -6.052
131 3HG2 THR 16 HG23 THR 16 8.263 -1.539 -6.068
132 H GLN 17 HN GLN 17 9.605 0.096 -1.713
133 HA GLN 17 HA GLN 17 12.500 0.708 -2.006
134 1HB GLN 17 HB2 GLN 17 10.566 2.307 -1.309
135 2HB GLN 17 HB1 GLN 17 10.666 1.501 0.256
136 1HG GLN 17 HG2 GLN 17 13.327 2.067 -0.446
137 2HG GLN 17 HG1 GLN 17 12.419 3.518 -0.871
138 1HE2 GLN 17 HE21 GLN 17 14.303 2.973 1.475
139 2HE2 GLN 17 HE22 GLN 17 13.393 3.375 2.851
140 H ALA 18 HN ALA 18 10.510 -1.658 -0.589
141 HA ALA 18 HA ALA 18 11.040 -3.451 0.863
142 1HB ALA 18 HB1 ALA 18 13.419 -2.562 -0.406
143 2HB ALA 18 HB2 ALA 18 13.122 -4.140 0.324
144 3HB ALA 18 HB3 ALA 18 13.825 -2.841 1.287
145 1HN NH2 19 1HN NH2 19 9.856 -2.494 2.698
146 2HN NH2 19 2HN NH2 19 10.670 -1.695 3.955
Start of MODEL 21
1 1H SER 1 1H SER 1 -13.556 1.155 5.877
2 2H SER 1 2H SER 1 -14.802 1.333 7.019
3 3H SER 1 3H SER 1 -15.087 1.693 5.384
4 HA SER 1 HA SER 1 -14.247 -1.029 6.162
5 1HB SER 1 HB2 SER 1 -17.114 -0.092 6.060
6 2HB SER 1 HB1 SER 1 -16.471 -1.569 6.772
7 HG SER 1 HG SER 1 -16.081 -0.506 8.540
8 H GLY 2 HN GLY 2 -13.513 0.211 3.802
9 1HA GLY 2 HA2 GLY 2 -14.318 -1.427 1.750
10 2HA GLY 2 HA1 GLY 2 -15.559 -0.172 1.747
11 H THR 3 HN THR 3 -11.996 -0.194 2.151
12 HA THR 3 HA THR 3 -11.787 1.673 -0.163
13 HB THR 3 HB THR 3 -10.081 2.775 1.704
14 HG1 THR 3 HG1 THR 3 -12.487 2.190 3.056
15 1HG2 THR 3 HG21 THR 3 -12.579 3.414 0.405
16 2HG2 THR 3 HG22 THR 3 -11.276 4.497 0.895
17 3HG2 THR 3 HG23 THR 3 -12.555 4.082 2.037
18 H LEU 4 HN LEU 4 -9.410 0.918 2.359
19 HA LEU 4 HA LEU 4 -7.428 -0.385 2.276
20 1HB LEU 4 HB2 LEU 4 -9.326 -1.652 0.629
21 2HB LEU 4 HB1 LEU 4 -7.857 -1.569 -0.344
22 HG LEU 4 HG LEU 4 -6.581 -2.540 1.567
23 1HD1 LEU 4 HD11 LEU 4 -8.003 -1.830 3.407
24 2HD1 LEU 4 HD12 LEU 4 -7.933 -3.593 3.399
25 3HD1 LEU 4 HD13 LEU 4 -9.356 -2.764 2.769
26 1HD2 LEU 4 HD21 LEU 4 -8.485 -4.666 1.411
27 2HD2 LEU 4 HD22 LEU 4 -6.979 -4.490 0.510
28 3HD2 LEU 4 HD23 LEU 4 -8.479 -3.832 -0.143
29 H SER 5 HN SER 5 -8.292 2.060 0.166
30 HA SER 5 HA SER 5 -6.337 2.051 -1.878
31 1HB SER 5 HB2 SER 5 -6.767 4.472 -1.893
32 2HB SER 5 HB1 SER 5 -8.272 3.601 -1.618
33 HG SER 5 HG SER 5 -8.320 4.297 0.399
34 H THR 6 HN THR 6 -6.095 4.038 1.095
35 HA THR 6 HA THR 6 -3.389 4.696 0.953
36 HB THR 6 HB THR 6 -3.786 4.349 3.629
37 HG1 THR 6 HG1 THR 6 -5.815 4.024 4.052
38 1HG2 THR 6 HG21 THR 6 -5.241 6.517 2.122
39 2HG2 THR 6 HG22 THR 6 -3.480 6.459 2.171
40 3HG2 THR 6 HG23 THR 6 -4.398 6.631 3.666
41 H PHE 7 HN PHE 7 -4.668 1.965 2.908
42 HA PHE 7 HA PHE 7 -2.340 0.708 3.686
43 1HB PHE 7 HB2 PHE 7 -4.978 -0.336 2.649
44 2HB PHE 7 HB1 PHE 7 -3.745 -1.437 3.262
45 HD1 PHE 7 HD1 PHE 7 -6.498 0.607 4.153
46 HD2 PHE 7 HD2 PHE 7 -2.698 -0.782 5.597
47 HE1 PHE 7 HE1 PHE 7 -7.196 1.113 6.479
48 HE2 PHE 7 HE2 PHE 7 -3.396 -0.276 7.922
49 HZ PHE 7 HZ PHE 7 -5.645 0.673 8.363
50 H PHE 8 HN PHE 8 -3.880 0.429 0.475
51 HA PHE 8 HA PHE 8 -1.931 -1.398 -0.621
52 1HB PHE 8 HB2 PHE 8 -4.381 -0.293 -1.313
53 2HB PHE 8 HB1 PHE 8 -3.275 0.440 -2.475
54 HD1 PHE 8 HD1 PHE 8 -2.665 -0.757 -4.390
55 HD2 PHE 8 HD2 PHE 8 -4.096 -2.883 -0.941
56 HE1 PHE 8 HE1 PHE 8 -2.604 -2.878 -5.672
57 HE2 PHE 8 HE2 PHE 8 -4.034 -5.005 -2.225
58 HZ PHE 8 HZ PHE 8 -3.288 -5.002 -4.589
59 H ARG 9 HN ARG 9 -2.165 2.134 -0.427
60 HA ARG 9 HA ARG 9 -0.044 2.734 -2.286
61 1HB ARG 9 HB2 ARG 9 -1.955 4.146 -1.098
62 2HB ARG 9 HB1 ARG 9 -0.689 4.439 0.096
63 1HG ARG 9 HG2 ARG 9 -0.175 6.166 -1.320
64 2HG ARG 9 HG1 ARG 9 0.720 4.898 -2.159
65 1HD ARG 9 HD2 ARG 9 -0.881 4.698 -3.850
66 2HD ARG 9 HD1 ARG 9 -2.184 5.331 -2.824
67 HE ARG 9 HE ARG 9 -0.505 6.950 -4.462
68 1HH1 ARG 9 HH11 ARG 9 -2.935 7.290 -2.322
69 2HH1 ARG 9 HH12 ARG 9 -2.365 8.738 -1.560
70 1HH2 ARG 9 HH21 ARG 9 0.776 8.583 -3.018
71 2HH2 ARG 9 HH22 ARG 9 -0.264 9.469 -1.955
72 H LEU 10 HN LEU 10 -0.102 2.534 1.292
73 HA LEU 10 HA LEU 10 2.723 2.977 1.633
74 1HB LEU 10 HB2 LEU 10 0.837 3.224 3.313
75 2HB LEU 10 HB1 LEU 10 0.799 1.464 3.424
76 HG LEU 10 HG LEU 10 3.417 1.797 3.808
77 1HD1 LEU 10 HD11 LEU 10 2.140 4.444 4.435
78 2HD1 LEU 10 HD12 LEU 10 3.693 4.112 3.669
79 3HD1 LEU 10 HD13 LEU 10 3.500 3.883 5.407
80 1HD2 LEU 10 HD21 LEU 10 2.940 1.127 5.935
81 2HD2 LEU 10 HD22 LEU 10 1.270 1.115 5.368
82 3HD2 LEU 10 HD23 LEU 10 1.895 2.515 6.237
83 H PHE 11 HN PHE 11 0.741 0.047 1.255
84 HA PHE 11 HA PHE 11 2.787 -1.871 1.854
85 1HB PHE 11 HB2 PHE 11 0.199 -2.047 1.551
86 2HB PHE 11 HB1 PHE 11 0.576 -2.264 -0.159
87 HD1 PHE 11 HD1 PHE 11 1.992 -4.178 -0.900
88 HD2 PHE 11 HD2 PHE 11 0.664 -3.768 3.164
89 HE1 PHE 11 HE1 PHE 11 2.550 -6.558 -0.477
90 HE2 PHE 11 HE2 PHE 11 1.222 -6.147 3.587
91 HZ PHE 11 HZ PHE 11 2.165 -7.541 1.766
92 H ASN 12 HN ASN 12 1.621 -0.622 -1.303
93 HA ASN 12 HA ASN 12 3.547 -2.000 -2.910
94 1HB ASN 12 HB2 ASN 12 1.360 -0.805 -3.531
95 2HB ASN 12 HB1 ASN 12 2.290 0.693 -3.479
96 1HD2 ASN 12 HD21 ASN 12 1.517 -2.049 -5.435
97 2HD2 ASN 12 HD22 ASN 12 2.613 -1.733 -6.692
98 H ARG 13 HN ARG 13 3.519 1.397 -1.749
99 HA ARG 13 HA ARG 13 6.054 2.161 -2.770
100 1HB ARG 13 HB2 ARG 13 3.984 3.248 -1.281
101 2HB ARG 13 HB1 ARG 13 5.333 3.264 -0.144
102 1HG ARG 13 HG2 ARG 13 5.332 4.442 -2.939
103 2HG ARG 13 HG1 ARG 13 5.324 5.347 -1.424
104 1HD ARG 13 HD2 ARG 13 7.502 3.371 -1.580
105 2HD ARG 13 HD1 ARG 13 7.609 4.652 -2.804
106 HE ARG 13 HE ARG 13 7.250 6.270 -0.846
107 1HH1 ARG 13 HH21 ARG 13 7.112 3.573 0.852
108 2HH1 ARG 13 HH22 ARG 13 8.598 3.741 1.727
109 1HH2 ARG 13 HH11 ARG 13 9.801 6.298 -0.283
110 2HH2 ARG 13 HH12 ARG 13 10.120 5.283 1.084
111 H SER 14 HN SER 14 5.181 0.579 0.301
112 HA SER 14 HA SER 14 7.783 0.667 1.505
113 1HB SER 14 HB2 SER 14 5.255 -0.922 1.788
114 2HB SER 14 HB1 SER 14 6.687 -1.451 2.665
115 HG SER 14 HG SER 14 5.366 0.054 3.835
116 H PHE 15 HN PHE 15 6.156 -1.887 -0.412
117 HA PHE 15 HA PHE 15 8.299 -3.775 -0.357
118 1HB PHE 15 HB2 PHE 15 5.745 -3.728 -1.217
119 2HB PHE 15 HB1 PHE 15 6.560 -3.515 -2.766
120 HD1 PHE 15 HD1 PHE 15 5.152 -5.947 -0.842
121 HD2 PHE 15 HD2 PHE 15 8.905 -5.076 -2.742
122 HE1 PHE 15 HE1 PHE 15 5.688 -8.369 -0.895
123 HE2 PHE 15 HE2 PHE 15 9.440 -7.497 -2.795
124 HZ PHE 15 HZ PHE 15 7.831 -9.143 -1.871
125 H THR 16 HN THR 16 7.564 -1.102 -2.595
126 HA THR 16 HA THR 16 9.804 -1.710 -4.371
127 HB THR 16 HB THR 16 9.091 0.450 -5.389
128 HG1 THR 16 HG1 THR 16 7.117 0.542 -3.380
129 1HG2 THR 16 HG21 THR 16 6.895 -0.278 -6.063
130 2HG2 THR 16 HG22 THR 16 6.703 -1.231 -4.592
131 3HG2 THR 16 HG23 THR 16 7.874 -1.723 -5.815
132 H GLN 17 HN GLN 17 9.285 0.262 -1.514
133 HA GLN 17 HA GLN 17 11.506 2.054 -1.791
134 1HB GLN 17 HB2 GLN 17 9.787 2.514 -0.204
135 2HB GLN 17 HB1 GLN 17 9.926 0.912 0.522
136 1HG GLN 17 HG2 GLN 17 12.448 2.412 0.556
137 2HG GLN 17 HG1 GLN 17 11.159 3.201 1.467
138 1HE2 GLN 17 HE21 GLN 17 13.591 0.895 1.763
139 2HE2 GLN 17 HE22 GLN 17 12.977 0.035 3.090
140 H ALA 18 HN ALA 18 11.209 -1.105 -0.132
141 HA ALA 18 HA ALA 18 14.016 -1.164 0.652
142 1HB ALA 18 HB1 ALA 18 11.759 -3.185 0.558
143 2HB ALA 18 HB2 ALA 18 12.340 -2.297 1.968
144 3HB ALA 18 HB3 ALA 18 13.346 -3.547 1.237
145 1HN NH2 19 1HN NH2 19 14.873 -3.734 -0.075
146 2HN NH2 19 2HN NH2 19 15.052 -3.840 -1.760
Start of MODEL 22
1 1H SER 1 1H SER 1 -13.955 7.733 3.382
2 2H SER 1 2H SER 1 -13.435 7.087 4.866
3 3H SER 1 3H SER 1 -15.093 7.296 4.561
4 HA SER 1 HA SER 1 -14.321 4.943 4.348
5 1HB SER 1 HB2 SER 1 -16.369 5.850 3.333
6 2HB SER 1 HB1 SER 1 -15.443 6.440 1.956
7 HG SER 1 HG SER 1 -16.327 3.905 2.562
8 H GLY 2 HN GLY 2 -11.798 6.247 4.025
9 1HA GLY 2 HA2 GLY 2 -10.865 5.006 1.466
10 2HA GLY 2 HA1 GLY 2 -10.179 6.511 2.084
11 H THR 3 HN THR 3 -10.215 3.043 2.416
12 HA THR 3 HA THR 3 -7.950 3.270 4.371
13 HB THR 3 HB THR 3 -9.998 1.047 4.306
14 HG1 THR 3 HG1 THR 3 -10.680 2.437 6.265
15 1HG2 THR 3 HG21 THR 3 -7.625 1.651 5.820
16 2HG2 THR 3 HG22 THR 3 -8.653 0.220 5.905
17 3HG2 THR 3 HG23 THR 3 -9.022 1.630 6.897
18 H LEU 4 HN LEU 4 -9.550 0.705 2.440
19 HA LEU 4 HA LEU 4 -7.380 -0.955 1.952
20 1HB LEU 4 HB2 LEU 4 -9.811 -0.115 0.406
21 2HB LEU 4 HB1 LEU 4 -8.646 -1.190 -0.369
22 HG LEU 4 HG LEU 4 -8.851 -2.797 1.448
23 1HD1 LEU 4 HD11 LEU 4 -10.739 -0.755 2.659
24 2HD1 LEU 4 HD12 LEU 4 -9.167 -1.229 3.299
25 3HD1 LEU 4 HD13 LEU 4 -10.496 -2.389 3.276
26 1HD2 LEU 4 HD21 LEU 4 -11.646 -2.693 1.297
27 2HD2 LEU 4 HD22 LEU 4 -10.572 -3.555 0.195
28 3HD2 LEU 4 HD23 LEU 4 -11.095 -1.913 -0.186
29 H SER 5 HN SER 5 -8.324 1.864 -0.057
30 HA SER 5 HA SER 5 -6.271 1.767 -1.974
31 1HB SER 5 HB2 SER 5 -8.019 3.812 -0.713
32 2HB SER 5 HB1 SER 5 -6.623 4.431 -1.591
33 HG SER 5 HG SER 5 -8.130 2.405 -2.779
34 H THR 6 HN THR 6 -6.208 3.809 0.981
35 HA THR 6 HA THR 6 -3.533 4.636 0.864
36 HB THR 6 HB THR 6 -3.994 4.310 3.541
37 HG1 THR 6 HG1 THR 6 -6.399 4.810 3.487
38 1HG2 THR 6 HG21 THR 6 -3.869 6.531 3.196
39 2HG2 THR 6 HG22 THR 6 -5.589 6.499 2.810
40 3HG2 THR 6 HG23 THR 6 -4.394 6.352 1.522
41 H PHE 7 HN PHE 7 -4.697 1.912 2.899
42 HA PHE 7 HA PHE 7 -2.317 0.796 3.725
43 1HB PHE 7 HB2 PHE 7 -5.019 -0.162 3.005
44 2HB PHE 7 HB1 PHE 7 -3.784 -1.421 3.027
45 HD1 PHE 7 HD1 PHE 7 -4.529 -2.565 5.019
46 HD2 PHE 7 HD2 PHE 7 -3.665 1.642 5.100
47 HE1 PHE 7 HE1 PHE 7 -4.601 -2.597 7.499
48 HE2 PHE 7 HE2 PHE 7 -3.737 1.610 7.578
49 HZ PHE 7 HZ PHE 7 -4.204 -0.510 8.778
50 H PHE 8 HN PHE 8 -3.819 0.363 0.519
51 HA PHE 8 HA PHE 8 -1.801 -1.430 -0.510
52 1HB PHE 8 HB2 PHE 8 -4.006 -1.305 -1.485
53 2HB PHE 8 HB1 PHE 8 -3.845 0.431 -1.753
54 HD1 PHE 8 HD1 PHE 8 -2.134 -2.797 -2.608
55 HD2 PHE 8 HD2 PHE 8 -3.138 1.193 -3.843
56 HE1 PHE 8 HE1 PHE 8 -1.123 -3.230 -4.832
57 HE2 PHE 8 HE2 PHE 8 -2.128 0.759 -6.066
58 HZ PHE 8 HZ PHE 8 -1.121 -1.453 -6.561
59 H ARG 9 HN ARG 9 -2.159 2.093 -0.414
60 HA ARG 9 HA ARG 9 -0.047 2.722 -2.271
61 1HB ARG 9 HB2 ARG 9 -1.868 4.241 -1.497
62 2HB ARG 9 HB1 ARG 9 -1.139 4.263 0.108
63 1HG ARG 9 HG2 ARG 9 -0.525 6.225 -1.397
64 2HG ARG 9 HG1 ARG 9 0.838 5.344 -0.706
65 1HD ARG 9 HD2 ARG 9 1.240 4.167 -2.767
66 2HD ARG 9 HD1 ARG 9 -0.287 4.750 -3.462
67 HE ARG 9 HE ARG 9 2.140 6.400 -3.007
68 1HH1 ARG 9 HH11 ARG 9 0.618 6.097 -5.632
69 2HH1 ARG 9 HH12 ARG 9 -0.217 7.613 -5.711
70 1HH2 ARG 9 HH21 ARG 9 0.295 8.369 -2.366
71 2HH2 ARG 9 HH22 ARG 9 -0.399 8.900 -3.861
72 H LEU 10 HN LEU 10 -0.123 2.587 1.309
73 HA LEU 10 HA LEU 10 2.688 3.115 1.658
74 1HB LEU 10 HB2 LEU 10 0.383 2.835 3.204
75 2HB LEU 10 HB1 LEU 10 1.394 1.481 3.712
76 HG LEU 10 HG LEU 10 1.922 3.418 5.090
77 1HD1 LEU 10 HD11 LEU 10 3.853 2.112 4.693
78 2HD1 LEU 10 HD12 LEU 10 4.368 3.754 4.310
79 3HD1 LEU 10 HD13 LEU 10 3.965 2.631 3.012
80 1HD2 LEU 10 HD21 LEU 10 2.632 4.840 2.506
81 2HD2 LEU 10 HD22 LEU 10 2.662 5.518 4.133
82 3HD2 LEU 10 HD23 LEU 10 1.123 5.096 3.382
83 H PHE 11 HN PHE 11 0.782 0.142 1.268
84 HA PHE 11 HA PHE 11 2.899 -1.706 1.916
85 1HB PHE 11 HB2 PHE 11 0.275 -1.914 1.625
86 2HB PHE 11 HB1 PHE 11 0.700 -2.298 -0.043
87 HD1 PHE 11 HD1 PHE 11 2.418 -4.155 -0.458
88 HD2 PHE 11 HD2 PHE 11 0.491 -3.536 3.330
89 HE1 PHE 11 HE1 PHE 11 3.015 -6.464 0.223
90 HE2 PHE 11 HE2 PHE 11 1.088 -5.845 4.012
91 HZ PHE 11 HZ PHE 11 2.349 -7.308 2.457
92 H ASN 12 HN ASN 12 1.674 -0.431 -1.198
93 HA ASN 12 HA ASN 12 3.525 -1.850 -2.870
94 1HB ASN 12 HB2 ASN 12 1.457 -0.826 -3.675
95 2HB ASN 12 HB1 ASN 12 2.029 0.772 -3.194
96 1HD2 ASN 12 HD21 ASN 12 1.747 1.329 -5.570
97 2HD2 ASN 12 HD22 ASN 12 2.987 0.915 -6.652
98 H ARG 13 HN ARG 13 3.604 1.464 -1.520
99 HA ARG 13 HA ARG 13 6.092 2.267 -2.657
100 1HB ARG 13 HB2 ARG 13 4.317 3.654 -1.497
101 2HB ARG 13 HB1 ARG 13 4.923 3.029 0.036
102 1HG ARG 13 HG2 ARG 13 6.398 4.738 0.009
103 2HG ARG 13 HG1 ARG 13 7.222 3.874 -1.291
104 1HD ARG 13 HD2 ARG 13 4.852 5.520 -2.064
105 2HD ARG 13 HD1 ARG 13 6.341 6.385 -1.634
106 HE ARG 13 HE ARG 13 6.075 4.419 -3.851
107 1HH1 ARG 13 HH21 ARG 13 8.740 4.196 -2.497
108 2HH1 ARG 13 HH22 ARG 13 9.694 5.336 -3.385
109 1HH2 ARG 13 HH11 ARG 13 6.956 6.944 -4.780
110 2HH2 ARG 13 HH12 ARG 13 8.684 6.892 -4.677
111 H SER 14 HN SER 14 5.354 0.647 0.440
112 HA SER 14 HA SER 14 8.090 0.582 1.373
113 1HB SER 14 HB2 SER 14 7.114 -1.018 3.005
114 2HB SER 14 HB1 SER 14 6.096 0.406 2.812
115 HG SER 14 HG SER 14 5.125 -1.827 2.693
116 H PHE 15 HN PHE 15 6.117 -1.564 -0.627
117 HA PHE 15 HA PHE 15 7.893 -3.844 -0.529
118 1HB PHE 15 HB2 PHE 15 5.362 -3.214 -1.468
119 2HB PHE 15 HB1 PHE 15 6.281 -3.463 -2.954
120 HD1 PHE 15 HD1 PHE 15 6.881 -5.637 -3.668
121 HD2 PHE 15 HD2 PHE 15 5.463 -5.019 0.339
122 HE1 PHE 15 HE1 PHE 15 6.779 -8.092 -3.326
123 HE2 PHE 15 HE2 PHE 15 5.362 -7.472 0.682
124 HZ PHE 15 HZ PHE 15 6.019 -9.009 -1.150
125 H THR 16 HN THR 16 7.503 -1.129 -2.819
126 HA THR 16 HA THR 16 9.187 -1.804 -4.899
127 HB THR 16 HB THR 16 9.419 0.867 -3.518
128 HG1 THR 16 HG1 THR 16 7.312 0.759 -3.405
129 1HG2 THR 16 HG21 THR 16 10.367 1.309 -5.515
130 2HG2 THR 16 HG22 THR 16 8.757 1.144 -6.215
131 3HG2 THR 16 HG23 THR 16 9.849 -0.241 -6.177
132 H GLN 17 HN GLN 17 10.120 -1.126 -1.581
133 HA GLN 17 HA GLN 17 13.010 -1.317 -2.346
134 1HB GLN 17 HB2 GLN 17 11.634 -0.315 0.170
135 2HB GLN 17 HB1 GLN 17 13.364 -0.217 -0.163
136 1HG GLN 17 HG2 GLN 17 12.842 1.141 -2.201
137 2HG GLN 17 HG1 GLN 17 11.145 1.138 -1.722
138 1HE2 GLN 17 HE21 GLN 17 10.934 3.365 -1.155
139 2HE2 GLN 17 HE22 GLN 17 11.822 4.092 0.096
140 H ALA 18 HN ALA 18 11.138 -2.136 0.596
141 HA ALA 18 HA ALA 18 11.640 -4.985 0.401
142 1HB ALA 18 HB1 ALA 18 13.360 -3.334 2.280
143 2HB ALA 18 HB2 ALA 18 13.929 -4.088 0.791
144 3HB ALA 18 HB3 ALA 18 13.384 -5.091 2.135
145 1HN NH2 19 1HN NH2 19 11.946 -5.163 3.422
146 2HN NH2 19 2HN NH2 19 10.429 -4.731 4.052