Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
601191 | 2n63 RC | 25749 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H21 PTL 1 H1 MET 1 1.522 0.000 -0.314
2 H22 PTL 1 HA MET 1 1.403 0.169 -2.055
3 H31 PTL 1 2HB MET 1 3.916 0.864 -0.535
4 H32 PTL 1 3HB MET 1 3.552 1.220 -2.218
5 H41 PTL 1 2HG MET 1 3.088 3.248 -1.354
6 H42 PTL 1 3HG MET 1 1.515 2.501 -1.088
7 H51 PTL 1 H3 MET 1 2.151 1.959 1.205
8 H52 PTL 1 H2 MET 1 2.264 3.707 0.888
9 H53 PTL 1 H4 MET 1 3.740 2.714 0.935
10 H VAL 2 H VAL 2 3.702 -0.649 -3.090
11 HA VAL 2 HA VAL 2 3.736 -3.489 -2.436
12 HB VAL 2 HB VAL 2 5.100 -2.056 -4.720
13 HG11 VAL 2 1HG1 VAL 2 4.974 -4.857 -3.828
14 HG12 VAL 2 2HG1 VAL 2 4.697 -4.596 -5.551
15 HG13 VAL 2 3HG1 VAL 2 6.188 -4.026 -4.800
16 HG21 VAL 2 3HG2 VAL 2 2.748 -1.727 -4.959
17 HG22 VAL 2 1HG2 VAL 2 3.220 -3.008 -6.075
18 HG23 VAL 2 2HG2 VAL 2 2.413 -3.411 -4.559
19 H ALA 3 H ALA 3 5.571 -0.701 -1.831
20 HA ALA 3 HA ALA 3 8.188 -1.702 -1.791
21 HB1 ALA 3 3HB ALA 3 7.912 0.637 -1.661
22 HB2 ALA 3 1HB ALA 3 6.862 0.513 -0.249
23 HB3 ALA 3 2HB ALA 3 8.582 0.147 -0.105
24 H ARG 4 H ARG 4 5.528 -2.201 0.353
25 HA ARG 4 HA ARG 4 6.808 -2.810 2.742
26 HB2 ARG 4 2HB ARG 4 4.293 -3.925 1.505
27 HB3 ARG 4 3HB ARG 4 4.822 -4.348 3.128
28 HG2 ARG 4 2HG ARG 4 4.373 -2.261 3.969
29 HG3 ARG 4 3HG ARG 4 4.546 -1.474 2.399
30 HD2 ARG 4 2HD ARG 4 2.396 -1.840 1.835
31 HD3 ARG 4 3HD ARG 4 2.368 -3.438 2.579
32 HE ARG 4 HE ARG 4 2.435 -1.315 4.499
33 HH11 ARG 4 1HH1 ARG 4 0.369 -3.203 2.429
34 HH12 ARG 4 2HH1 ARG 4 -1.046 -2.955 3.397
35 HH21 ARG 4 2HH2 ARG 4 -0.926 -1.691 5.303
36 HH22 ARG 4 1HH2 ARG 4 0.578 -0.981 5.782
37 H GLY 5 H GLY 5 6.099 -4.919 -0.028
38 HA2 GLY 5 2HA GLY 5 8.004 -6.871 1.113
39 HA3 GLY 5 3HA GLY 5 6.562 -7.351 0.230
40 H TRP 6 H TRP 6 8.594 -4.656 -0.711
41 HA TRP 6 HA TRP 6 9.499 -6.230 -3.033
42 HB2 TRP 6 2HB TRP 6 7.918 -4.665 -3.870
43 HB3 TRP 6 3HB TRP 6 8.576 -3.363 -2.883
44 HD1 TRP 6 HD1 TRP 6 9.102 -1.770 -4.922
45 HE1 TRP 6 HE1 TRP 6 10.871 -1.835 -6.791
46 HE3 TRP 6 HE3 TRP 6 10.695 -6.596 -4.363
47 HZ2 TRP 6 HZ2 TRP 6 12.699 -3.688 -7.884
48 HZ3 TRP 6 HZ3 TRP 6 12.456 -7.437 -5.861
49 HH2 TRP 6 HH2 TRP 6 13.436 -6.012 -7.585
50 H LYS 7 H LYS 7 10.313 -2.976 -1.871
51 HA LYS 7 HA LYS 7 13.143 -3.763 -1.897
52 HB2 LYS 7 2HB LYS 7 11.745 -1.120 -2.216
53 HB3 LYS 7 3HB LYS 7 13.455 -1.199 -1.811
54 HG2 LYS 7 2HG LYS 7 12.124 -2.290 -4.279
55 HG3 LYS 7 3HG LYS 7 13.227 -0.915 -4.176
56 HD2 LYS 7 2HD LYS 7 14.930 -2.573 -3.242
57 HD3 LYS 7 3HD LYS 7 13.834 -3.837 -3.806
58 HE2 LYS 7 2HE LYS 7 14.725 -3.666 -5.831
59 HE3 LYS 7 3HE LYS 7 14.132 -2.009 -5.930
60 HZ1 LYS 7 3HZ LYS 7 16.811 -2.989 -5.389
61 HZ2 LYS 7 1HZ LYS 7 16.319 -1.663 -4.460
62 HZ3 LYS 7 2HZ LYS 7 16.311 -1.562 -6.148
63 H ARG 8 H ARG 8 11.762 -1.017 -0.192
64 HA ARG 8 HA ARG 8 12.767 -2.167 2.326
65 HB2 ARG 8 2HB ARG 8 12.548 0.702 1.416
66 HB3 ARG 8 3HB ARG 8 12.877 0.246 3.082
67 HG2 ARG 8 2HG ARG 8 14.584 -0.439 0.697
68 HG3 ARG 8 3HG ARG 8 14.921 0.815 1.893
69 HD2 ARG 8 2HD ARG 8 14.565 -1.335 3.498
70 HD3 ARG 8 3HD ARG 8 15.239 -2.107 2.062
71 HE ARG 8 HE ARG 8 17.260 -1.134 2.528
72 HH11 ARG 8 1HH1 ARG 8 14.777 0.419 4.411
73 HH12 ARG 8 2HH1 ARG 8 15.894 1.339 5.364
74 HH21 ARG 8 2HH2 ARG 8 18.147 1.143 5.001
75 HH22 ARG 8 1HH2 ARG 8 18.740 0.073 3.776
76 H LYS 9 H LYS 9 11.020 0.713 2.635
77 HA LYS 9 HA LYS 9 8.592 -0.762 3.420
78 HB2 LYS 9 2HB LYS 9 8.479 1.390 5.044
79 HB3 LYS 9 3HB LYS 9 9.202 -0.144 5.513
80 HG2 LYS 9 2HG LYS 9 10.922 1.876 4.174
81 HG3 LYS 9 3HG LYS 9 10.464 2.136 5.859
82 HD2 LYS 9 2HD LYS 9 11.592 -0.488 4.940
83 HD3 LYS 9 3HD LYS 9 12.646 0.861 5.367
84 HE2 LYS 9 2HE LYS 9 11.695 0.946 7.589
85 HE3 LYS 9 3HE LYS 9 10.532 -0.311 7.171
86 HZ1 LYS 9 3HZ LYS 9 12.083 -1.929 7.338
87 HZ2 LYS 9 1HZ LYS 9 12.804 -0.828 8.400
88 HZ3 LYS 9 2HZ LYS 9 13.354 -0.948 6.805
89 H CYS 10 H CYS 10 9.577 2.649 3.061
90 HA CYS 10 HA CYS 10 7.023 3.366 1.975
91 HB2 CYS 10 2HB CYS 10 9.439 4.750 2.872
92 HB3 CYS 10 3HB CYS 10 8.705 5.495 1.457
93 HG CYS 10 HG CYS 10 6.653 4.742 4.035
94 HA PRO 11 HA PRO 11 9.506 4.067 -2.094
95 HB2 PRO 11 2HB PRO 11 12.109 3.298 -2.139
96 HB3 PRO 11 3HB PRO 11 11.593 4.911 -1.633
97 HG2 PRO 11 2HG PRO 11 12.323 2.543 0.046
98 HG3 PRO 11 3HG PRO 11 12.763 4.247 0.263
99 HD2 PRO 11 2HD PRO 11 10.776 3.064 1.672
100 HD3 PRO 11 3HD PRO 11 10.733 4.780 1.216
101 H LEU 12 H LEU 12 9.127 2.646 -3.685
102 HA LEU 12 HA LEU 12 9.595 -0.209 -3.128
103 HB2 LEU 12 2HB LEU 12 7.794 -0.367 -5.056
104 HB3 LEU 12 3HB LEU 12 7.341 -0.186 -3.362
105 HG LEU 12 HG LEU 12 7.622 2.233 -5.099
106 HD11 LEU 12 1HD1 LEU 12 6.159 1.109 -6.478
107 HD12 LEU 12 2HD1 LEU 12 5.054 1.919 -5.369
108 HD13 LEU 12 3HD1 LEU 12 5.427 0.210 -5.149
109 HD21 LEU 12 3HD2 LEU 12 6.327 1.493 -2.526
110 HD22 LEU 12 1HD2 LEU 12 5.587 2.758 -3.507
111 HD23 LEU 12 2HD2 LEU 12 7.253 2.932 -2.955
112 H PHE 13 H PHE 13 8.618 0.985 -6.242
113 HA PHE 13 HA PHE 13 11.125 -0.003 -7.374
114 HB2 PHE 13 2HB PHE 13 8.568 0.802 -8.776
115 HB3 PHE 13 3HB PHE 13 9.955 0.009 -9.517
116 HD1 PHE 13 HD1 PHE 13 7.314 -0.438 -6.954
117 HD2 PHE 13 HD2 PHE 13 10.128 -2.316 -9.537
118 HE1 PHE 13 HE1 PHE 13 6.338 -2.632 -6.417
119 HE2 PHE 13 HE2 PHE 13 9.156 -4.513 -9.005
120 HZ PHE 13 HZ PHE 13 7.258 -4.673 -7.444
121 H GLY 14 H GLY 14 9.165 2.384 -8.992
122 HA2 GLY 14 2HA GLY 14 11.346 4.349 -8.647
123 HA3 GLY 14 3HA GLY 14 10.586 4.060 -10.205
124 H LYS 15 H LYS 15 8.169 3.753 -8.035
125 HA LYS 15 HA LYS 15 7.073 6.329 -8.694
126 HB2 LYS 15 2HB LYS 15 5.953 4.225 -6.836
127 HB3 LYS 15 3HB LYS 15 5.071 5.560 -7.566
128 HG2 LYS 15 2HG LYS 15 4.466 4.058 -9.100
129 HG3 LYS 15 3HG LYS 15 6.084 4.305 -9.761
130 HD2 LYS 15 2HD LYS 15 6.721 2.463 -7.986
131 HD3 LYS 15 3HD LYS 15 5.012 2.047 -8.138
132 HE2 LYS 15 2HE LYS 15 6.346 0.727 -9.678
133 HE3 LYS 15 3HE LYS 15 5.294 1.828 -10.565
134 HZ1 LYS 15 3HZ LYS 15 7.069 2.642 -11.576
135 HZ2 LYS 15 1HZ LYS 15 8.080 1.599 -10.709
136 HZ3 LYS 15 2HZ LYS 15 7.721 3.132 -10.093
137 H GLY 16 H GLY 16 5.807 5.767 -5.761
138 HA2 GLY 16 2HA GLY 16 7.788 7.487 -4.399
139 HA3 GLY 16 3HA GLY 16 6.055 7.725 -4.236
140 H GLY 17 H GLY 17 4.866 6.401 -2.877
141 HA2 GLY 17 2HA GLY 17 5.454 4.003 -1.756
142 HA3 GLY 17 3HA GLY 17 6.401 5.127 -0.792
Start of MODEL 2
1 H21 PTL 1 H1 MET 1 1.971 -0.192 0.482
2 H22 PTL 1 HA MET 1 1.635 0.066 -1.219
3 H31 PTL 1 2HB MET 1 4.052 0.902 -1.434
4 H32 PTL 1 3HB MET 1 2.894 1.954 -0.630
5 H41 PTL 1 2HG MET 1 4.215 0.181 1.236
6 H42 PTL 1 3HG MET 1 5.362 1.163 0.326
7 H51 PTL 1 H3 MET 1 4.161 3.184 0.981
8 H52 PTL 1 H2 MET 1 4.709 2.259 2.399
9 H53 PTL 1 H4 MET 1 3.002 2.192 1.897
10 H VAL 2 H VAL 2 3.658 -0.689 -2.647
11 HA VAL 2 HA VAL 2 3.855 -3.539 -2.163
12 HB VAL 2 HB VAL 2 4.933 -1.899 -4.461
13 HG11 VAL 2 1HG1 VAL 2 6.117 -3.791 -4.786
14 HG12 VAL 2 2HG1 VAL 2 5.045 -4.762 -3.774
15 HG13 VAL 2 3HG1 VAL 2 4.593 -4.391 -5.437
16 HG21 VAL 2 3HG2 VAL 2 2.814 -1.738 -5.122
17 HG22 VAL 2 1HG2 VAL 2 2.810 -3.490 -5.321
18 HG23 VAL 2 2HG2 VAL 2 2.264 -2.775 -3.804
19 H ALA 3 H ALA 3 5.754 -0.763 -1.610
20 HA ALA 3 HA ALA 3 8.353 -1.777 -1.870
21 HB1 ALA 3 3HB ALA 3 8.062 0.566 -1.625
22 HB2 ALA 3 1HB ALA 3 7.231 0.368 -0.081
23 HB3 ALA 3 2HB ALA 3 8.954 0.010 -0.208
24 H ARG 4 H ARG 4 6.044 -1.942 0.791
25 HA ARG 4 HA ARG 4 7.671 -2.868 2.824
26 HB2 ARG 4 2HB ARG 4 4.826 -3.703 2.228
27 HB3 ARG 4 3HB ARG 4 5.649 -3.908 3.769
28 HG2 ARG 4 2HG ARG 4 5.534 -1.679 4.287
29 HG3 ARG 4 3HG ARG 4 5.457 -1.180 2.595
30 HD2 ARG 4 2HD ARG 4 3.292 -0.801 3.275
31 HD3 ARG 4 3HD ARG 4 3.169 -2.438 2.632
32 HE ARG 4 HE ARG 4 2.682 -3.181 4.736
33 HH11 ARG 4 1HH1 ARG 4 4.122 -0.019 4.962
34 HH12 ARG 4 2HH1 ARG 4 3.835 0.133 6.664
35 HH21 ARG 4 2HH2 ARG 4 2.801 -1.559 7.810
36 HH22 ARG 4 1HH2 ARG 4 2.301 -2.993 6.977
37 H GLY 5 H GLY 5 6.423 -4.564 0.033
38 HA2 GLY 5 2HA GLY 5 7.815 -6.998 0.968
39 HA3 GLY 5 3HA GLY 5 6.344 -7.043 0.007
40 H TRP 6 H TRP 6 8.533 -4.579 -0.857
41 HA TRP 6 HA TRP 6 9.528 -6.222 -3.092
42 HB2 TRP 6 2HB TRP 6 7.992 -4.711 -4.063
43 HB3 TRP 6 3HB TRP 6 8.546 -3.374 -3.060
44 HD1 TRP 6 HD1 TRP 6 9.182 -1.775 -5.048
45 HE1 TRP 6 HE1 TRP 6 11.049 -1.816 -6.820
46 HE3 TRP 6 HE3 TRP 6 10.802 -6.581 -4.410
47 HZ2 TRP 6 HZ2 TRP 6 12.955 -3.644 -7.816
48 HZ3 TRP 6 HZ3 TRP 6 12.651 -7.398 -5.813
49 HH2 TRP 6 HH2 TRP 6 13.704 -5.959 -7.480
50 H LYS 7 H LYS 7 10.254 -2.964 -1.847
51 HA LYS 7 HA LYS 7 13.102 -3.699 -1.843
52 HB2 LYS 7 2HB LYS 7 11.665 -1.085 -2.198
53 HB3 LYS 7 3HB LYS 7 13.354 -1.119 -1.711
54 HG2 LYS 7 2HG LYS 7 12.166 -2.213 -4.250
55 HG3 LYS 7 3HG LYS 7 13.254 -0.833 -4.077
56 HD2 LYS 7 2HD LYS 7 14.914 -2.496 -3.068
57 HD3 LYS 7 3HD LYS 7 13.859 -3.755 -3.715
58 HE2 LYS 7 2HE LYS 7 15.404 -3.479 -5.415
59 HE3 LYS 7 3HE LYS 7 14.077 -2.444 -5.941
60 HZ1 LYS 7 3HZ LYS 7 16.070 -1.228 -6.217
61 HZ2 LYS 7 1HZ LYS 7 16.618 -1.608 -4.662
62 HZ3 LYS 7 2HZ LYS 7 15.298 -0.568 -4.864
63 H ARG 8 H ARG 8 11.613 -1.000 -0.148
64 HA ARG 8 HA ARG 8 12.557 -2.165 2.388
65 HB2 ARG 8 2HB ARG 8 12.360 0.723 1.530
66 HB3 ARG 8 3HB ARG 8 12.701 0.217 3.179
67 HG2 ARG 8 2HG ARG 8 14.813 0.597 2.383
68 HG3 ARG 8 3HG ARG 8 14.637 -1.128 2.057
69 HD2 ARG 8 2HD ARG 8 14.852 -0.808 -0.135
70 HD3 ARG 8 3HD ARG 8 13.612 0.446 -0.131
71 HE ARG 8 HE ARG 8 15.949 1.555 0.910
72 HH11 ARG 8 1HH1 ARG 8 14.776 0.247 -2.095
73 HH12 ARG 8 2HH1 ARG 8 15.809 1.232 -3.078
74 HH21 ARG 8 2HH2 ARG 8 17.252 2.715 -2.097
75 HH22 ARG 8 1HH2 ARG 8 17.314 2.857 -0.373
76 H LYS 9 H LYS 9 10.866 0.709 2.772
77 HA LYS 9 HA LYS 9 8.377 -0.738 3.403
78 HB2 LYS 9 2HB LYS 9 8.108 1.080 5.202
79 HB3 LYS 9 3HB LYS 9 9.258 -0.215 5.509
80 HG2 LYS 9 2HG LYS 9 11.031 1.361 4.588
81 HG3 LYS 9 3HG LYS 9 9.813 2.629 4.738
82 HD2 LYS 9 2HD LYS 9 10.296 0.875 7.088
83 HD3 LYS 9 3HD LYS 9 11.519 2.086 6.694
84 HE2 LYS 9 2HE LYS 9 8.592 2.730 6.984
85 HE3 LYS 9 3HE LYS 9 9.732 2.807 8.326
86 HZ1 LYS 9 3HZ LYS 9 9.357 4.632 6.132
87 HZ2 LYS 9 1HZ LYS 9 10.979 4.236 6.407
88 HZ3 LYS 9 2HZ LYS 9 10.047 4.897 7.654
89 H CYS 10 H CYS 10 9.667 2.539 2.837
90 HA CYS 10 HA CYS 10 7.089 3.423 1.844
91 HB2 CYS 10 2HB CYS 10 9.518 4.687 2.833
92 HB3 CYS 10 3HB CYS 10 8.924 5.458 1.368
93 HG CYS 10 HG CYS 10 7.238 6.926 2.610
94 HA PRO 11 HA PRO 11 9.625 4.068 -2.190
95 HB2 PRO 11 2HB PRO 11 12.233 3.315 -2.199
96 HB3 PRO 11 3HB PRO 11 11.700 4.926 -1.707
97 HG2 PRO 11 2HG PRO 11 12.423 2.570 -0.009
98 HG3 PRO 11 3HG PRO 11 12.850 4.278 0.206
99 HD2 PRO 11 2HD PRO 11 10.852 3.089 1.595
100 HD3 PRO 11 3HD PRO 11 10.806 4.802 1.132
101 H LEU 12 H LEU 12 9.127 2.621 -3.708
102 HA LEU 12 HA LEU 12 9.677 -0.221 -3.167
103 HB2 LEU 12 2HB LEU 12 7.848 -0.393 -5.077
104 HB3 LEU 12 3HB LEU 12 7.425 -0.242 -3.373
105 HG LEU 12 HG LEU 12 7.639 2.210 -5.071
106 HD11 LEU 12 1HD1 LEU 12 6.178 1.122 -6.465
107 HD12 LEU 12 2HD1 LEU 12 5.061 1.833 -5.300
108 HD13 LEU 12 3HD1 LEU 12 5.505 0.131 -5.169
109 HD21 LEU 12 3HD2 LEU 12 5.607 2.661 -3.452
110 HD22 LEU 12 1HD2 LEU 12 7.274 2.860 -2.912
111 HD23 LEU 12 2HD2 LEU 12 6.383 1.393 -2.502
112 H PHE 13 H PHE 13 8.656 1.010 -6.264
113 HA PHE 13 HA PHE 13 11.149 0.019 -7.434
114 HB2 PHE 13 2HB PHE 13 8.569 0.808 -8.803
115 HB3 PHE 13 3HB PHE 13 9.949 0.019 -9.559
116 HD1 PHE 13 HD1 PHE 13 7.319 -0.428 -6.990
117 HD2 PHE 13 HD2 PHE 13 10.154 -2.308 -9.548
118 HE1 PHE 13 HE1 PHE 13 6.358 -2.625 -6.436
119 HE2 PHE 13 HE2 PHE 13 9.198 -4.508 -8.999
120 HZ PHE 13 HZ PHE 13 7.296 -4.668 -7.442
121 H GLY 14 H GLY 14 9.135 2.405 -8.998
122 HA2 GLY 14 2HA GLY 14 11.315 4.376 -8.699
123 HA3 GLY 14 3HA GLY 14 10.519 4.092 -10.240
124 H LYS 15 H LYS 15 8.137 3.757 -8.056
125 HA LYS 15 HA LYS 15 7.033 6.343 -8.652
126 HB2 LYS 15 2HB LYS 15 5.932 4.213 -6.814
127 HB3 LYS 15 3HB LYS 15 5.044 5.554 -7.525
128 HG2 LYS 15 2HG LYS 15 4.432 4.066 -9.071
129 HG3 LYS 15 3HG LYS 15 6.047 4.319 -9.738
130 HD2 LYS 15 2HD LYS 15 6.691 2.461 -7.981
131 HD3 LYS 15 3HD LYS 15 4.982 2.046 -8.131
132 HE2 LYS 15 2HE LYS 15 6.309 0.741 -9.688
133 HE3 LYS 15 3HE LYS 15 5.256 1.852 -10.562
134 HZ1 LYS 15 3HZ LYS 15 8.045 1.624 -10.709
135 HZ2 LYS 15 1HZ LYS 15 7.679 3.155 -10.089
136 HZ3 LYS 15 2HZ LYS 15 7.030 2.666 -11.572
137 H GLY 16 H GLY 16 5.794 5.741 -5.721
138 HA2 GLY 16 2HA GLY 16 7.799 7.420 -4.344
139 HA3 GLY 16 3HA GLY 16 6.070 7.678 -4.170
140 H GLY 17 H GLY 17 4.875 6.366 -2.813
141 HA2 GLY 17 2HA GLY 17 5.487 3.934 -1.731
142 HA3 GLY 17 3HA GLY 17 6.376 5.074 -0.731
Start of MODEL 3
1 H21 PTL 1 HA2 MET 1 1.392 -0.362 -0.519
2 H22 PTL 1 HA3 MET 1 2.745 0.156 0.529
3 H31 PTL 1 2HB MET 1 0.341 -1.508 1.213
4 H32 PTL 1 3HB MET 1 1.812 -1.633 2.169
5 H41 PTL 1 2HG MET 1 0.817 1.095 1.677
6 H42 PTL 1 3HG MET 1 -0.183 0.073 2.708
7 H51 PTL 1 2 MET 1 1.223 1.138 4.212
8 H52 PTL 1 3 MET 1 2.013 -0.435 3.955
9 H53 PTL 1 H1 MET 1 2.628 1.013 3.126
10 H VAL 2 H VAL 2 3.086 -1.122 -1.983
11 HA VAL 2 HA VAL 2 3.724 -3.898 -1.493
12 HB VAL 2 HB VAL 2 2.932 -2.855 -3.725
13 HG11 VAL 2 1HG1 VAL 2 5.863 -2.483 -4.211
14 HG12 VAL 2 2HG1 VAL 2 4.492 -1.882 -5.146
15 HG13 VAL 2 3HG1 VAL 2 4.880 -1.162 -3.583
16 HG21 VAL 2 3HG2 VAL 2 5.325 -4.622 -4.040
17 HG22 VAL 2 1HG2 VAL 2 3.891 -5.208 -3.199
18 HG23 VAL 2 2HG2 VAL 2 3.775 -4.679 -4.878
19 H ALA 3 H ALA 3 5.356 -0.844 -1.435
20 HA ALA 3 HA ALA 3 7.995 -1.554 -1.860
21 HB1 ALA 3 3HB ALA 3 8.374 0.321 -0.033
22 HB2 ALA 3 1HB ALA 3 7.773 0.703 -1.647
23 HB3 ALA 3 2HB ALA 3 6.648 0.579 -0.295
24 H ARG 4 H ARG 4 5.960 -2.138 0.915
25 HA ARG 4 HA ARG 4 8.003 -2.761 2.770
26 HB2 ARG 4 2HB ARG 4 6.283 -3.592 4.171
27 HB3 ARG 4 3HB ARG 4 5.575 -2.248 3.285
28 HG2 ARG 4 2HG ARG 4 4.748 -4.067 1.649
29 HG3 ARG 4 3HG ARG 4 5.084 -5.179 2.977
30 HD2 ARG 4 2HD ARG 4 3.552 -2.750 3.660
31 HD3 ARG 4 3HD ARG 4 2.727 -3.927 2.638
32 HE ARG 4 HE ARG 4 3.349 -4.195 5.419
33 HH11 ARG 4 1HH1 ARG 4 2.824 -5.941 2.454
34 HH12 ARG 4 2HH1 ARG 4 2.334 -7.401 3.248
35 HH21 ARG 4 2HH2 ARG 4 2.265 -7.497 5.536
36 HH22 ARG 4 1HH2 ARG 4 2.705 -6.111 6.476
37 H GLY 5 H GLY 5 6.405 -4.584 0.258
38 HA2 GLY 5 2HA GLY 5 7.913 -6.985 1.089
39 HA3 GLY 5 3HA GLY 5 6.400 -7.030 0.196
40 H TRP 6 H TRP 6 8.591 -4.583 -0.749
41 HA TRP 6 HA TRP 6 9.444 -6.222 -3.046
42 HB2 TRP 6 2HB TRP 6 7.900 -4.659 -3.922
43 HB3 TRP 6 3HB TRP 6 8.544 -3.349 -2.937
44 HD1 TRP 6 HD1 TRP 6 9.111 -1.757 -4.957
45 HE1 TRP 6 HE1 TRP 6 10.889 -1.832 -6.815
46 HE3 TRP 6 HE3 TRP 6 10.655 -6.599 -4.406
47 HZ2 TRP 6 HZ2 TRP 6 12.706 -3.697 -7.904
48 HZ3 TRP 6 HZ3 TRP 6 12.417 -7.452 -5.895
49 HH2 TRP 6 HH2 TRP 6 13.421 -6.030 -7.608
50 H LYS 7 H LYS 7 10.321 -2.976 -1.893
51 HA LYS 7 HA LYS 7 13.141 -3.800 -1.981
52 HB2 LYS 7 2HB LYS 7 11.765 -1.148 -2.295
53 HB3 LYS 7 3HB LYS 7 13.472 -1.228 -1.878
54 HG2 LYS 7 2HG LYS 7 12.152 -2.313 -4.355
55 HG3 LYS 7 3HG LYS 7 13.271 -0.952 -4.243
56 HD2 LYS 7 2HD LYS 7 14.954 -2.619 -3.307
57 HD3 LYS 7 3HD LYS 7 13.843 -3.879 -3.850
58 HE2 LYS 7 2HE LYS 7 15.013 -3.759 -5.766
59 HE3 LYS 7 3HE LYS 7 14.012 -2.342 -6.077
60 HZ1 LYS 7 3HZ LYS 7 15.913 -1.164 -4.745
61 HZ2 LYS 7 1HZ LYS 7 16.077 -1.473 -6.400
62 HZ3 LYS 7 2HZ LYS 7 16.824 -2.488 -5.273
63 H ARG 8 H ARG 8 11.807 -1.047 -0.244
64 HA ARG 8 HA ARG 8 12.874 -2.197 2.249
65 HB2 ARG 8 2HB ARG 8 12.570 0.677 1.375
66 HB3 ARG 8 3HB ARG 8 12.982 0.202 3.018
67 HG2 ARG 8 2HG ARG 8 14.594 -0.419 0.550
68 HG3 ARG 8 3HG ARG 8 14.957 0.833 1.741
69 HD2 ARG 8 2HD ARG 8 14.801 -1.230 3.398
70 HD3 ARG 8 3HD ARG 8 15.223 -2.120 1.935
71 HE ARG 8 HE ARG 8 16.947 -0.467 3.492
72 HH11 ARG 8 1HH1 ARG 8 16.298 -1.573 0.256
73 HH12 ARG 8 2HH1 ARG 8 17.931 -1.364 -0.283
74 HH21 ARG 8 2HH2 ARG 8 19.524 -0.577 1.162
75 HH22 ARG 8 1HH2 ARG 8 19.100 -0.187 2.795
76 H LYS 9 H LYS 9 11.115 0.643 2.672
77 HA LYS 9 HA LYS 9 8.718 -0.870 3.480
78 HB2 LYS 9 2HB LYS 9 10.035 1.465 4.874
79 HB3 LYS 9 3HB LYS 9 8.453 0.828 5.303
80 HG2 LYS 9 2HG LYS 9 9.676 -0.327 6.805
81 HG3 LYS 9 3HG LYS 9 9.860 -1.434 5.443
82 HD2 LYS 9 2HD LYS 9 11.935 0.053 4.887
83 HD3 LYS 9 3HD LYS 9 11.817 0.516 6.586
84 HE2 LYS 9 2HE LYS 9 11.713 -2.031 7.025
85 HE3 LYS 9 3HE LYS 9 12.363 -2.178 5.393
86 HZ1 LYS 9 3HZ LYS 9 14.021 -2.115 7.281
87 HZ2 LYS 9 1HZ LYS 9 13.646 -0.474 7.444
88 HZ3 LYS 9 2HZ LYS 9 14.307 -1.051 5.999
89 H CYS 10 H CYS 10 9.628 2.565 3.167
90 HA CYS 10 HA CYS 10 7.046 3.259 2.150
91 HB2 CYS 10 2HB CYS 10 9.470 4.662 2.991
92 HB3 CYS 10 3HB CYS 10 8.689 5.412 1.604
93 HG CYS 10 HG CYS 10 8.030 6.271 4.444
94 HA PRO 11 HA PRO 11 9.393 4.034 -1.984
95 HB2 PRO 11 2HB PRO 11 12.005 3.306 -2.116
96 HB3 PRO 11 3HB PRO 11 11.480 4.906 -1.579
97 HG2 PRO 11 2HG PRO 11 12.297 2.533 0.054
98 HG3 PRO 11 3HG PRO 11 12.717 4.242 0.275
99 HD2 PRO 11 2HD PRO 11 10.792 3.015 1.730
100 HD3 PRO 11 3HD PRO 11 10.709 4.733 1.294
101 H LEU 12 H LEU 12 9.102 2.636 -3.631
102 HA LEU 12 HA LEU 12 9.552 -0.224 -3.085
103 HB2 LEU 12 2HB LEU 12 7.772 -0.377 -5.028
104 HB3 LEU 12 3HB LEU 12 7.298 -0.193 -3.340
105 HG LEU 12 HG LEU 12 7.614 2.237 -5.050
106 HD11 LEU 12 1HD1 LEU 12 5.018 1.855 -5.351
107 HD12 LEU 12 2HD1 LEU 12 5.501 0.162 -5.279
108 HD13 LEU 12 3HD1 LEU 12 6.188 1.221 -6.509
109 HD21 LEU 12 3HD2 LEU 12 6.164 1.445 -2.564
110 HD22 LEU 12 1HD2 LEU 12 5.551 2.779 -3.543
111 HD23 LEU 12 2HD2 LEU 12 7.182 2.852 -2.874
112 H PHE 13 H PHE 13 8.612 1.008 -6.198
113 HA PHE 13 HA PHE 13 11.126 0.016 -7.313
114 HB2 PHE 13 2HB PHE 13 8.589 0.862 -8.729
115 HB3 PHE 13 3HB PHE 13 9.979 0.079 -9.472
116 HD1 PHE 13 HD1 PHE 13 7.324 -0.411 -6.930
117 HD2 PHE 13 HD2 PHE 13 10.134 -2.244 -9.549
118 HE1 PHE 13 HE1 PHE 13 6.336 -2.611 -6.444
119 HE2 PHE 13 HE2 PHE 13 9.150 -4.447 -9.069
120 HZ PHE 13 HZ PHE 13 7.248 -4.633 -7.516
121 H GLY 14 H GLY 14 9.291 2.378 -9.052
122 HA2 GLY 14 2HA GLY 14 11.421 4.366 -8.558
123 HA3 GLY 14 3HA GLY 14 10.776 4.059 -10.164
124 H LYS 15 H LYS 15 8.252 3.774 -8.070
125 HA LYS 15 HA LYS 15 7.169 6.327 -8.866
126 HB2 LYS 15 2HB LYS 15 5.939 4.256 -7.043
127 HB3 LYS 15 3HB LYS 15 5.104 5.561 -7.877
128 HG2 LYS 15 2HG LYS 15 4.635 4.042 -9.432
129 HG3 LYS 15 3HG LYS 15 6.317 4.218 -9.935
130 HD2 LYS 15 2HD LYS 15 6.920 2.390 -8.363
131 HD3 LYS 15 3HD LYS 15 5.203 2.171 -8.018
132 HE2 LYS 15 2HE LYS 15 5.157 2.057 -10.704
133 HE3 LYS 15 3HE LYS 15 6.778 1.431 -10.406
134 HZ1 LYS 15 3HZ LYS 15 4.993 0.217 -8.613
135 HZ2 LYS 15 1HZ LYS 15 5.901 -0.505 -9.845
136 HZ3 LYS 15 2HZ LYS 15 4.350 0.083 -10.172
137 H GLY 16 H GLY 16 5.728 5.792 -6.008
138 HA2 GLY 16 2HA GLY 16 7.605 7.553 -4.554
139 HA3 GLY 16 3HA GLY 16 5.861 7.763 -4.491
140 H GLY 17 H GLY 17 4.592 5.991 -3.534
141 HA2 GLY 17 2HA GLY 17 4.627 3.935 -2.215
142 HA3 GLY 17 3HA GLY 17 6.164 4.468 -1.552
Start of MODEL 4
1 H21 PTL 1 HA2 MET 1 1.761 0.288 -0.079
2 H22 PTL 1 HA3 MET 1 1.672 0.536 -1.847
3 H31 PTL 1 2HB MET 1 4.039 1.201 -0.088
4 H32 PTL 1 3HB MET 1 3.944 1.455 -1.826
5 H41 PTL 1 2HG MET 1 3.406 3.542 -1.169
6 H42 PTL 1 3HG MET 1 1.792 2.838 -1.098
7 H51 PTL 1 2 MET 1 2.129 4.084 0.898
8 H52 PTL 1 3 MET 1 2.199 2.357 1.321
9 H53 PTL 1 H1 MET 1 3.701 3.300 1.182
10 H VAL 2 H VAL 2 3.435 -0.508 -3.132
11 HA VAL 2 HA VAL 2 3.595 -3.281 -2.441
12 HB VAL 2 HB VAL 2 4.979 -1.833 -4.703
13 HG11 VAL 2 1HG1 VAL 2 4.506 -4.327 -5.604
14 HG12 VAL 2 2HG1 VAL 2 6.011 -3.837 -4.823
15 HG13 VAL 2 3HG1 VAL 2 4.758 -4.658 -3.891
16 HG21 VAL 2 3HG2 VAL 2 2.596 -1.452 -4.833
17 HG22 VAL 2 1HG2 VAL 2 3.074 -2.611 -6.074
18 HG23 VAL 2 2HG2 VAL 2 2.276 -3.171 -4.604
19 H ALA 3 H ALA 3 5.502 -0.583 -1.732
20 HA ALA 3 HA ALA 3 8.091 -1.690 -1.752
21 HB1 ALA 3 3HB ALA 3 6.894 0.566 -0.162
22 HB2 ALA 3 1HB ALA 3 8.603 0.137 -0.102
23 HB3 ALA 3 2HB ALA 3 7.881 0.668 -1.621
24 H ARG 4 H ARG 4 5.416 -2.341 0.223
25 HA ARG 4 HA ARG 4 6.548 -2.867 2.708
26 HB2 ARG 4 2HB ARG 4 4.122 -2.876 2.257
27 HB3 ARG 4 3HB ARG 4 4.304 -4.372 1.349
28 HG2 ARG 4 2HG ARG 4 3.450 -4.775 3.597
29 HG3 ARG 4 3HG ARG 4 5.027 -5.529 3.356
30 HD2 ARG 4 2HD ARG 4 5.906 -4.370 5.038
31 HD3 ARG 4 3HD ARG 4 5.338 -2.849 4.350
32 HE ARG 4 HE ARG 4 3.251 -4.294 5.658
33 HH11 ARG 4 1HH1 ARG 4 5.961 -2.172 6.182
34 HH12 ARG 4 2HH1 ARG 4 5.337 -1.528 7.664
35 HH21 ARG 4 2HH2 ARG 4 3.323 -2.258 8.476
36 HH22 ARG 4 1HH2 ARG 4 2.419 -3.453 7.609
37 H GLY 5 H GLY 5 6.081 -5.102 -0.032
38 HA2 GLY 5 2HA GLY 5 8.174 -6.812 1.165
39 HA3 GLY 5 3HA GLY 5 6.772 -7.468 0.333
40 H TRP 6 H TRP 6 8.681 -4.682 -0.681
41 HA TRP 6 HA TRP 6 9.562 -6.242 -3.021
42 HB2 TRP 6 2HB TRP 6 7.947 -4.694 -3.823
43 HB3 TRP 6 3HB TRP 6 8.610 -3.386 -2.849
44 HD1 TRP 6 HD1 TRP 6 9.096 -1.776 -4.877
45 HE1 TRP 6 HE1 TRP 6 10.819 -1.824 -6.789
46 HE3 TRP 6 HE3 TRP 6 10.707 -6.605 -4.399
47 HZ2 TRP 6 HZ2 TRP 6 12.623 -3.664 -7.941
48 HZ3 TRP 6 HZ3 TRP 6 12.434 -7.430 -5.945
49 HH2 TRP 6 HH2 TRP 6 13.369 -5.989 -7.680
50 H LYS 7 H LYS 7 10.357 -2.984 -1.850
51 HA LYS 7 HA LYS 7 13.196 -3.742 -1.926
52 HB2 LYS 7 2HB LYS 7 11.772 -1.113 -2.248
53 HB3 LYS 7 3HB LYS 7 13.489 -1.176 -1.870
54 HG2 LYS 7 2HG LYS 7 12.124 -2.296 -4.308
55 HG3 LYS 7 3HG LYS 7 13.222 -0.915 -4.233
56 HD2 LYS 7 2HD LYS 7 14.942 -2.567 -3.303
57 HD3 LYS 7 3HD LYS 7 13.845 -3.832 -3.863
58 HE2 LYS 7 2HE LYS 7 15.291 -3.580 -5.657
59 HE3 LYS 7 3HE LYS 7 13.924 -2.568 -6.119
60 HZ1 LYS 7 3HZ LYS 7 16.568 -1.721 -5.103
61 HZ2 LYS 7 1HZ LYS 7 15.232 -0.683 -5.069
62 HZ3 LYS 7 2HZ LYS 7 15.802 -1.279 -6.546
63 H ARG 8 H ARG 8 11.803 -0.998 -0.226
64 HA ARG 8 HA ARG 8 12.876 -2.102 2.284
65 HB2 ARG 8 2HB ARG 8 12.539 0.756 1.372
66 HB3 ARG 8 3HB ARG 8 12.944 0.309 3.025
67 HG2 ARG 8 2HG ARG 8 14.586 -0.346 0.586
68 HG3 ARG 8 3HG ARG 8 14.916 0.954 1.732
69 HD2 ARG 8 2HD ARG 8 14.632 -1.299 3.322
70 HD3 ARG 8 3HD ARG 8 15.518 -1.876 1.911
71 HE ARG 8 HE ARG 8 16.810 0.412 2.610
72 HH11 ARG 8 1HH1 ARG 8 15.940 -2.507 4.295
73 HH12 ARG 8 2HH1 ARG 8 17.297 -2.446 5.369
74 HH21 ARG 8 2HH2 ARG 8 18.809 -0.733 5.213
75 HH22 ARG 8 1HH2 ARG 8 18.600 0.504 4.019
76 H LYS 9 H LYS 9 11.073 0.719 2.661
77 HA LYS 9 HA LYS 9 8.694 -0.819 3.475
78 HB2 LYS 9 2HB LYS 9 10.030 1.507 4.859
79 HB3 LYS 9 3HB LYS 9 8.404 0.963 5.252
80 HG2 LYS 9 2HG LYS 9 9.297 -0.462 6.689
81 HG3 LYS 9 3HG LYS 9 9.997 -1.333 5.323
82 HD2 LYS 9 2HD LYS 9 11.771 0.689 5.579
83 HD3 LYS 9 3HD LYS 9 11.261 0.497 7.258
84 HE2 LYS 9 2HE LYS 9 11.629 -2.098 6.395
85 HE3 LYS 9 3HE LYS 9 12.934 -1.216 5.603
86 HZ1 LYS 9 3HZ LYS 9 12.685 -1.967 8.324
87 HZ2 LYS 9 1HZ LYS 9 12.862 -0.288 8.199
88 HZ3 LYS 9 2HZ LYS 9 14.020 -1.314 7.516
89 H CYS 10 H CYS 10 9.586 2.615 3.090
90 HA CYS 10 HA CYS 10 6.990 3.262 2.054
91 HB2 CYS 10 2HB CYS 10 9.370 4.711 2.932
92 HB3 CYS 10 3HB CYS 10 8.614 5.437 1.519
93 HG CYS 10 HG CYS 10 6.586 6.496 2.718
94 HA PRO 11 HA PRO 11 9.385 4.054 -2.050
95 HB2 PRO 11 2HB PRO 11 12.014 3.377 -2.136
96 HB3 PRO 11 3HB PRO 11 11.448 4.969 -1.619
97 HG2 PRO 11 2HG PRO 11 12.287 2.624 0.043
98 HG3 PRO 11 3HG PRO 11 12.670 4.342 0.258
99 HD2 PRO 11 2HD PRO 11 10.748 3.087 1.693
100 HD3 PRO 11 3HD PRO 11 10.638 4.801 1.244
101 H LEU 12 H LEU 12 9.040 2.625 -3.643
102 HA LEU 12 HA LEU 12 9.604 -0.214 -3.098
103 HB2 LEU 12 2HB LEU 12 7.798 -0.403 -5.030
104 HB3 LEU 12 3HB LEU 12 7.357 -0.283 -3.329
105 HG LEU 12 HG LEU 12 7.550 2.222 -4.932
106 HD11 LEU 12 1HD1 LEU 12 6.202 1.212 -6.469
107 HD12 LEU 12 2HD1 LEU 12 4.985 1.739 -5.306
108 HD13 LEU 12 3HD1 LEU 12 5.541 0.064 -5.304
109 HD21 LEU 12 3HD2 LEU 12 5.580 2.755 -3.448
110 HD22 LEU 12 1HD2 LEU 12 7.119 2.509 -2.622
111 HD23 LEU 12 2HD2 LEU 12 5.902 1.232 -2.616
112 H PHE 13 H PHE 13 8.581 0.985 -6.200
113 HA PHE 13 HA PHE 13 11.097 0.049 -7.355
114 HB2 PHE 13 2HB PHE 13 8.524 0.844 -8.734
115 HB3 PHE 13 3HB PHE 13 9.916 0.081 -9.494
116 HD1 PHE 13 HD1 PHE 13 7.302 -0.442 -6.917
117 HD2 PHE 13 HD2 PHE 13 10.112 -2.240 -9.561
118 HE1 PHE 13 HE1 PHE 13 6.358 -2.657 -6.410
119 HE2 PHE 13 HE2 PHE 13 9.171 -4.457 -9.059
120 HZ PHE 13 HZ PHE 13 7.291 -4.668 -7.482
121 H GLY 14 H GLY 14 9.424 2.207 -9.344
122 HA2 GLY 14 2HA GLY 14 11.343 4.358 -8.689
123 HA3 GLY 14 3HA GLY 14 10.920 3.930 -10.339
124 H LYS 15 H LYS 15 8.068 3.510 -9.294
125 HA LYS 15 HA LYS 15 6.981 5.917 -10.160
126 HB2 LYS 15 2HB LYS 15 4.945 5.056 -8.717
127 HB3 LYS 15 3HB LYS 15 5.428 4.225 -10.190
128 HG2 LYS 15 2HG LYS 15 6.782 3.278 -7.774
129 HG3 LYS 15 3HG LYS 15 5.033 3.035 -7.780
130 HD2 LYS 15 2HD LYS 15 6.770 2.256 -10.108
131 HD3 LYS 15 3HD LYS 15 6.471 1.166 -8.751
132 HE2 LYS 15 2HE LYS 15 3.957 1.812 -9.260
133 HE3 LYS 15 3HE LYS 15 4.615 2.141 -10.862
134 HZ1 LYS 15 3HZ LYS 15 4.534 -0.421 -9.397
135 HZ2 LYS 15 1HZ LYS 15 5.634 -0.176 -10.659
136 HZ3 LYS 15 2HZ LYS 15 3.972 -0.073 -10.953
137 H GLY 16 H GLY 16 5.979 5.005 -6.949
138 HA2 GLY 16 2HA GLY 16 6.977 7.604 -5.954
139 HA3 GLY 16 3HA GLY 16 5.389 6.975 -5.540
140 H GLY 17 H GLY 17 5.215 5.950 -3.659
141 HA2 GLY 17 2HA GLY 17 5.882 4.317 -2.064
142 HA3 GLY 17 3HA GLY 17 7.543 4.507 -2.603
Start of MODEL 5
1 H21 PTL 1 HA2 MET 1 1.489 -0.673 0.859
2 H22 PTL 1 HA3 MET 1 1.380 0.027 -0.783
3 H31 PTL 1 2HB MET 1 3.736 0.861 -0.460
4 H32 PTL 1 3HB MET 1 2.525 1.625 0.561
5 H41 PTL 1 2HG MET 1 3.197 0.038 2.380
6 H42 PTL 1 3HG MET 1 4.536 -0.464 1.348
7 H51 PTL 1 2 MET 1 5.143 2.022 1.255
8 H52 PTL 1 3 MET 1 4.046 2.194 2.646
9 H53 PTL 1 H1 MET 1 5.469 1.134 2.763
10 H VAL 2 H VAL 2 3.573 -0.451 -2.050
11 HA VAL 2 HA VAL 2 3.707 -3.346 -2.215
12 HB VAL 2 HB VAL 2 4.953 -1.215 -3.957
13 HG11 VAL 2 1HG1 VAL 2 4.936 -3.445 -5.475
14 HG12 VAL 2 2HG1 VAL 2 6.325 -2.910 -4.528
15 HG13 VAL 2 3HG1 VAL 2 5.241 -4.145 -3.886
16 HG21 VAL 2 3HG2 VAL 2 2.404 -1.520 -3.891
17 HG22 VAL 2 1HG2 VAL 2 3.200 -1.544 -5.464
18 HG23 VAL 2 2HG2 VAL 2 2.704 -3.056 -4.703
19 H ALA 3 H ALA 3 5.509 -0.802 -0.842
20 HA ALA 3 HA ALA 3 8.138 -1.564 -1.037
21 HB1 ALA 3 3HB ALA 3 6.590 0.097 0.697
22 HB2 ALA 3 1HB ALA 3 7.761 -0.813 1.653
23 HB3 ALA 3 2HB ALA 3 8.308 0.191 0.310
24 H ARG 4 H ARG 4 5.769 -2.723 1.357
25 HA ARG 4 HA ARG 4 7.376 -4.414 2.820
26 HB2 ARG 4 2HB ARG 4 5.299 -5.735 3.257
27 HB3 ARG 4 3HB ARG 4 5.113 -4.004 3.505
28 HG2 ARG 4 2HG ARG 4 4.209 -3.972 1.097
29 HG3 ARG 4 3HG ARG 4 4.037 -5.716 1.301
30 HD2 ARG 4 2HD ARG 4 2.952 -3.878 3.387
31 HD3 ARG 4 3HD ARG 4 2.058 -4.105 1.884
32 HE ARG 4 HE ARG 4 2.329 -5.981 4.034
33 HH11 ARG 4 1HH1 ARG 4 1.784 -5.633 0.613
34 HH12 ARG 4 2HH1 ARG 4 0.951 -7.145 0.460
35 HH21 ARG 4 2HH2 ARG 4 0.638 -8.475 2.299
36 HH22 ARG 4 1HH2 ARG 4 1.235 -7.974 3.845
37 H GLY 5 H GLY 5 6.051 -4.876 -0.381
38 HA2 GLY 5 2HA GLY 5 7.075 -7.632 -0.437
39 HA3 GLY 5 3HA GLY 5 5.946 -6.937 -1.591
40 H TRP 6 H TRP 6 7.981 -4.516 -1.339
41 HA TRP 6 HA TRP 6 9.867 -5.597 -3.328
42 HB2 TRP 6 2HB TRP 6 8.368 -4.159 -4.505
43 HB3 TRP 6 3HB TRP 6 8.473 -2.920 -3.256
44 HD1 TRP 6 HD1 TRP 6 9.469 -0.962 -4.640
45 HE1 TRP 6 HE1 TRP 6 11.672 -0.599 -5.923
46 HE3 TRP 6 HE3 TRP 6 11.262 -5.750 -4.548
47 HZ2 TRP 6 HZ2 TRP 6 13.877 -2.138 -6.782
48 HZ3 TRP 6 HZ3 TRP 6 13.424 -6.220 -5.623
49 HH2 TRP 6 HH2 TRP 6 14.702 -4.450 -6.717
50 H LYS 7 H LYS 7 9.672 -2.441 -1.723
51 HA LYS 7 HA LYS 7 12.431 -2.833 -0.794
52 HB2 LYS 7 2HB LYS 7 10.805 -0.396 -1.450
53 HB3 LYS 7 3HB LYS 7 12.222 -0.268 -0.417
54 HG2 LYS 7 2HG LYS 7 12.133 -1.238 -3.264
55 HG3 LYS 7 3HG LYS 7 12.848 0.261 -2.664
56 HD2 LYS 7 2HD LYS 7 14.361 -1.212 -1.246
57 HD3 LYS 7 3HD LYS 7 13.789 -2.564 -2.227
58 HE2 LYS 7 2HE LYS 7 14.455 -0.877 -4.185
59 HE3 LYS 7 3HE LYS 7 15.569 -0.305 -2.943
60 HZ1 LYS 7 3HZ LYS 7 15.386 -3.026 -4.101
61 HZ2 LYS 7 1HZ LYS 7 16.257 -2.691 -2.688
62 HZ3 LYS 7 2HZ LYS 7 16.700 -1.961 -4.148
63 H ARG 8 H ARG 8 12.738 -3.278 1.278
64 HA ARG 8 HA ARG 8 10.603 -3.091 3.182
65 HB2 ARG 8 2HB ARG 8 12.155 -4.085 4.750
66 HB3 ARG 8 3HB ARG 8 12.268 -4.926 3.208
67 HG2 ARG 8 2HG ARG 8 14.186 -2.978 2.973
68 HG3 ARG 8 3HG ARG 8 14.285 -3.428 4.677
69 HD2 ARG 8 2HD ARG 8 14.590 -5.747 4.091
70 HD3 ARG 8 3HD ARG 8 14.337 -5.385 2.385
71 HE ARG 8 HE ARG 8 16.463 -3.823 3.196
72 HH11 ARG 8 1HH1 ARG 8 15.716 -7.219 3.017
73 HH12 ARG 8 2HH1 ARG 8 17.362 -7.701 2.774
74 HH21 ARG 8 2HH2 ARG 8 19.021 -6.123 2.695
75 HH22 ARG 8 1HH2 ARG 8 18.634 -4.446 2.876
76 H LYS 9 H LYS 9 12.667 -0.831 1.969
77 HA LYS 9 HA LYS 9 13.306 0.586 4.388
78 HB2 LYS 9 2HB LYS 9 13.516 1.297 1.465
79 HB3 LYS 9 3HB LYS 9 13.963 2.414 2.748
80 HG2 LYS 9 2HG LYS 9 15.186 -0.297 2.275
81 HG3 LYS 9 3HG LYS 9 15.906 1.255 1.841
82 HD2 LYS 9 2HD LYS 9 15.592 1.813 4.359
83 HD3 LYS 9 3HD LYS 9 15.459 0.064 4.553
84 HE2 LYS 9 2HE LYS 9 17.644 -0.299 4.005
85 HE3 LYS 9 3HE LYS 9 17.729 1.111 2.951
86 HZ1 LYS 9 3HZ LYS 9 18.590 0.891 5.593
87 HZ2 LYS 9 1HZ LYS 9 17.287 1.971 5.586
88 HZ3 LYS 9 2HZ LYS 9 18.629 2.259 4.597
89 H CYS 10 H CYS 10 12.194 2.677 1.968
90 HA CYS 10 HA CYS 10 9.676 3.135 3.428
91 HB2 CYS 10 2HB CYS 10 11.891 4.959 2.878
92 HB3 CYS 10 3HB CYS 10 10.340 5.590 2.339
93 HG CYS 10 HG CYS 10 10.756 6.685 4.822
94 HA PRO 11 HA PRO 11 8.793 4.553 -1.073
95 HB2 PRO 11 2HB PRO 11 10.855 4.598 -2.839
96 HB3 PRO 11 3HB PRO 11 10.447 5.971 -1.804
97 HG2 PRO 11 2HG PRO 11 12.571 3.892 -1.444
98 HG3 PRO 11 3HG PRO 11 12.666 5.644 -1.189
99 HD2 PRO 11 2HD PRO 11 12.352 3.890 0.850
100 HD3 PRO 11 3HD PRO 11 11.659 5.524 0.881
101 H LEU 12 H LEU 12 9.035 3.526 -3.430
102 HA LEU 12 HA LEU 12 9.275 0.617 -3.034
103 HB2 LEU 12 2HB LEU 12 7.372 2.283 -4.630
104 HB3 LEU 12 3HB LEU 12 7.703 0.618 -5.107
105 HG LEU 12 HG LEU 12 6.586 -0.263 -3.309
106 HD11 LEU 12 1HD1 LEU 12 7.845 0.764 -1.550
107 HD12 LEU 12 2HD1 LEU 12 6.129 1.001 -1.218
108 HD13 LEU 12 3HD1 LEU 12 7.094 2.329 -1.861
109 HD21 LEU 12 3HD2 LEU 12 4.883 0.765 -4.556
110 HD22 LEU 12 1HD2 LEU 12 5.298 2.372 -3.958
111 HD23 LEU 12 2HD2 LEU 12 4.545 1.197 -2.879
112 H PHE 13 H PHE 13 8.685 1.785 -6.194
113 HA PHE 13 HA PHE 13 11.399 1.001 -6.981
114 HB2 PHE 13 2HB PHE 13 8.883 1.289 -8.635
115 HB3 PHE 13 3HB PHE 13 10.451 0.788 -9.261
116 HD1 PHE 13 HD1 PHE 13 7.630 -0.173 -7.107
117 HD2 PHE 13 HD2 PHE 13 11.257 -1.429 -8.948
118 HE1 PHE 13 HE1 PHE 13 7.093 -2.512 -6.563
119 HE2 PHE 13 HE2 PHE 13 10.724 -3.770 -8.409
120 HZ PHE 13 HZ PHE 13 8.640 -4.313 -7.216
121 H GLY 14 H GLY 14 9.847 2.701 -9.407
122 HA2 GLY 14 2HA GLY 14 11.276 5.187 -8.686
123 HA3 GLY 14 3HA GLY 14 11.294 4.529 -10.316
124 H LYS 15 H LYS 15 8.335 4.187 -8.649
125 HA LYS 15 HA LYS 15 7.187 6.350 -10.278
126 HB2 LYS 15 2HB LYS 15 5.451 4.312 -8.980
127 HB3 LYS 15 3HB LYS 15 5.276 5.109 -10.539
128 HG2 LYS 15 2HG LYS 15 5.855 3.095 -11.336
129 HG3 LYS 15 3HG LYS 15 7.495 3.655 -10.999
130 HD2 LYS 15 2HD LYS 15 7.447 1.559 -9.998
131 HD3 LYS 15 3HD LYS 15 7.101 2.644 -8.649
132 HE2 LYS 15 2HE LYS 15 4.689 1.857 -10.044
133 HE3 LYS 15 3HE LYS 15 5.592 0.457 -9.466
134 HZ1 LYS 15 3HZ LYS 15 4.300 0.968 -7.659
135 HZ2 LYS 15 1HZ LYS 15 4.363 2.638 -7.925
136 HZ3 LYS 15 2HZ LYS 15 5.705 1.833 -7.286
137 H GLY 16 H GLY 16 6.110 4.716 -7.301
138 HA2 GLY 16 2HA GLY 16 5.815 7.391 -6.078
139 HA3 GLY 16 3HA GLY 16 4.623 6.117 -5.868
140 H GLY 17 H GLY 17 4.761 4.960 -4.063
141 HA2 GLY 17 2HA GLY 17 5.781 3.734 -2.361
142 HA3 GLY 17 3HA GLY 17 7.345 4.316 -2.911
Start of MODEL 6
1 H21 PTL 1 HA2 MET 1 2.230 0.952 -1.797
2 H22 PTL 1 HA3 MET 1 3.671 1.363 -0.823
3 H31 PTL 1 2HB MET 1 1.076 1.168 0.112
4 H32 PTL 1 3HB MET 1 1.787 -0.372 0.578
5 H41 PTL 1 2HG MET 1 2.865 2.353 1.259
6 H42 PTL 1 3HG MET 1 2.001 1.272 2.349
7 H51 PTL 1 2 MET 1 3.937 0.376 2.931
8 H52 PTL 1 3 MET 1 4.122 -0.219 1.265
9 H53 PTL 1 H1 MET 1 4.787 1.368 1.724
10 H VAL 2 H VAL 2 3.595 -0.342 -3.161
11 HA VAL 2 HA VAL 2 3.604 -3.073 -2.554
12 HB VAL 2 HB VAL 2 5.213 -1.599 -4.645
13 HG11 VAL 2 1HG1 VAL 2 4.851 -4.496 -4.051
14 HG12 VAL 2 2HG1 VAL 2 4.981 -3.978 -5.732
15 HG13 VAL 2 3HG1 VAL 2 6.285 -3.627 -4.597
16 HG21 VAL 2 3HG2 VAL 2 3.024 -3.136 -5.660
17 HG22 VAL 2 1HG2 VAL 2 2.442 -2.040 -4.406
18 HG23 VAL 2 2HG2 VAL 2 3.322 -1.403 -5.796
19 H ALA 3 H ALA 3 5.807 -0.615 -1.689
20 HA ALA 3 HA ALA 3 8.260 -1.857 -1.580
21 HB1 ALA 3 3HB ALA 3 8.775 0.094 -0.660
22 HB2 ALA 3 1HB ALA 3 7.063 0.447 -0.427
23 HB3 ALA 3 2HB ALA 3 7.970 -0.394 0.832
24 H ARG 4 H ARG 4 5.454 -2.408 0.409
25 HA ARG 4 HA ARG 4 6.438 -3.568 2.672
26 HB2 ARG 4 2HB ARG 4 4.051 -4.235 0.980
27 HB3 ARG 4 3HB ARG 4 4.414 -5.181 2.416
28 HG2 ARG 4 2HG ARG 4 3.835 -3.514 3.833
29 HG3 ARG 4 3HG ARG 4 4.367 -2.243 2.730
30 HD2 ARG 4 2HD ARG 4 2.198 -1.903 2.321
31 HD3 ARG 4 3HD ARG 4 2.269 -3.391 1.379
32 HE ARG 4 HE ARG 4 1.748 -3.789 4.184
33 HH11 ARG 4 1HH1 ARG 4 0.355 -3.202 1.049
34 HH12 ARG 4 2HH1 ARG 4 -1.193 -3.857 1.470
35 HH21 ARG 4 2HH2 ARG 4 -1.557 -4.682 3.575
36 HH22 ARG 4 1HH2 ARG 4 -0.285 -4.654 4.751
37 H GLY 5 H GLY 5 6.179 -5.047 -0.532
38 HA2 GLY 5 2HA GLY 5 7.814 -7.293 0.482
39 HA3 GLY 5 3HA GLY 5 6.571 -7.492 -0.743
40 H TRP 6 H TRP 6 8.300 -4.595 -1.059
41 HA TRP 6 HA TRP 6 10.024 -5.808 -3.118
42 HB2 TRP 6 2HB TRP 6 8.349 -4.584 -4.283
43 HB3 TRP 6 3HB TRP 6 8.476 -3.220 -3.177
44 HD1 TRP 6 HD1 TRP 6 9.196 -1.357 -4.840
45 HE1 TRP 6 HE1 TRP 6 11.245 -0.990 -6.353
46 HE3 TRP 6 HE3 TRP 6 11.340 -5.982 -4.441
47 HZ2 TRP 6 HZ2 TRP 6 13.475 -2.465 -7.259
48 HZ3 TRP 6 HZ3 TRP 6 13.430 -6.422 -5.664
49 HH2 TRP 6 HH2 TRP 6 14.474 -4.698 -7.043
50 H LYS 7 H LYS 7 9.652 -2.979 -0.992
51 HA LYS 7 HA LYS 7 12.587 -2.903 -0.744
52 HB2 LYS 7 2HB LYS 7 10.638 -0.600 -0.866
53 HB3 LYS 7 3HB LYS 7 12.308 -0.425 -0.347
54 HG2 LYS 7 2HG LYS 7 11.330 -1.289 -3.057
55 HG3 LYS 7 3HG LYS 7 12.142 0.222 -2.642
56 HD2 LYS 7 2HD LYS 7 13.324 -2.551 -2.516
57 HD3 LYS 7 3HD LYS 7 13.708 -1.297 -3.697
58 HE2 LYS 7 2HE LYS 7 14.218 0.061 -1.454
59 HE3 LYS 7 3HE LYS 7 14.535 -1.569 -0.864
60 HZ1 LYS 7 3HZ LYS 7 15.724 -0.747 -3.415
61 HZ2 LYS 7 1HZ LYS 7 16.311 -1.825 -2.251
62 HZ3 LYS 7 2HZ LYS 7 16.408 -0.159 -1.984
63 H ARG 8 H ARG 8 13.294 -3.265 1.247
64 HA ARG 8 HA ARG 8 11.504 -3.530 3.448
65 HB2 ARG 8 2HB ARG 8 13.585 -3.932 4.764
66 HB3 ARG 8 3HB ARG 8 13.434 -4.957 3.344
67 HG2 ARG 8 2HG ARG 8 14.838 -2.645 2.547
68 HG3 ARG 8 3HG ARG 8 15.548 -3.194 4.066
69 HD2 ARG 8 2HD ARG 8 15.350 -5.549 2.843
70 HD3 ARG 8 3HD ARG 8 15.451 -4.522 1.414
71 HE ARG 8 HE ARG 8 17.652 -4.094 1.907
72 HH11 ARG 8 1HH1 ARG 8 16.118 -5.605 4.642
73 HH12 ARG 8 2HH1 ARG 8 17.600 -5.850 5.504
74 HH21 ARG 8 2HH2 ARG 8 19.586 -5.169 4.589
75 HH22 ARG 8 1HH2 ARG 8 19.611 -4.411 3.032
76 H LYS 9 H LYS 9 12.851 -0.848 2.032
77 HA LYS 9 HA LYS 9 13.243 0.672 4.476
78 HB2 LYS 9 2HB LYS 9 13.445 1.434 1.559
79 HB3 LYS 9 3HB LYS 9 13.739 2.550 2.887
80 HG2 LYS 9 2HG LYS 9 15.735 1.607 3.427
81 HG3 LYS 9 3HG LYS 9 15.252 0.001 2.877
82 HD2 LYS 9 2HD LYS 9 15.491 0.680 0.567
83 HD3 LYS 9 3HD LYS 9 15.854 2.335 1.062
84 HE2 LYS 9 2HE LYS 9 17.733 1.028 2.459
85 HE3 LYS 9 3HE LYS 9 17.555 -0.085 1.104
86 HZ1 LYS 9 3HZ LYS 9 18.524 2.682 1.117
87 HZ2 LYS 9 1HZ LYS 9 17.745 2.107 -0.270
88 HZ3 LYS 9 2HZ LYS 9 19.135 1.333 0.302
89 H CYS 10 H CYS 10 11.988 2.615 2.051
90 HA CYS 10 HA CYS 10 9.312 2.584 3.283
91 HB2 CYS 10 2HB CYS 10 11.231 4.766 2.988
92 HB3 CYS 10 3HB CYS 10 9.651 5.159 2.324
93 HG CYS 10 HG CYS 10 9.035 3.791 5.174
94 HA PRO 11 HA PRO 11 8.591 4.028 -1.241
95 HB2 PRO 11 2HB PRO 11 10.759 4.476 -2.812
96 HB3 PRO 11 3HB PRO 11 10.045 5.722 -1.780
97 HG2 PRO 11 2HG PRO 11 12.443 3.998 -1.288
98 HG3 PRO 11 3HG PRO 11 12.228 5.732 -0.977
99 HD2 PRO 11 2HD PRO 11 12.035 3.867 0.976
100 HD3 PRO 11 3HD PRO 11 11.083 5.365 0.989
101 H LEU 12 H LEU 12 8.258 2.764 -3.073
102 HA LEU 12 HA LEU 12 9.365 0.082 -2.921
103 HB2 LEU 12 2HB LEU 12 7.716 -0.101 -4.992
104 HB3 LEU 12 3HB LEU 12 7.153 -0.172 -3.322
105 HG LEU 12 HG LEU 12 7.209 2.480 -4.668
106 HD11 LEU 12 1HD1 LEU 12 5.964 1.776 -6.375
107 HD12 LEU 12 2HD1 LEU 12 4.676 1.539 -5.195
108 HD13 LEU 12 3HD1 LEU 12 5.714 0.188 -5.649
109 HD21 LEU 12 3HD2 LEU 12 5.220 1.174 -2.816
110 HD22 LEU 12 1HD2 LEU 12 5.290 2.877 -3.275
111 HD23 LEU 12 2HD2 LEU 12 6.573 2.175 -2.289
112 H PHE 13 H PHE 13 8.429 1.424 -5.988
113 HA PHE 13 HA PHE 13 11.130 0.907 -6.994
114 HB2 PHE 13 2HB PHE 13 8.602 1.395 -8.579
115 HB3 PHE 13 3HB PHE 13 10.138 0.791 -9.195
116 HD1 PHE 13 HD1 PHE 13 7.294 -0.027 -6.975
117 HD2 PHE 13 HD2 PHE 13 10.636 -1.499 -9.161
118 HE1 PHE 13 HE1 PHE 13 6.541 -2.333 -6.566
119 HE2 PHE 13 HE2 PHE 13 9.888 -3.807 -8.755
120 HZ PHE 13 HZ PHE 13 7.838 -4.227 -7.457
121 H GLY 14 H GLY 14 9.555 2.778 -9.199
122 HA2 GLY 14 2HA GLY 14 10.800 5.251 -8.162
123 HA3 GLY 14 3HA GLY 14 10.886 4.782 -9.854
124 H LYS 15 H LYS 15 7.905 3.893 -8.741
125 HA LYS 15 HA LYS 15 6.626 6.065 -10.144
126 HB2 LYS 15 2HB LYS 15 5.170 3.941 -8.597
127 HB3 LYS 15 3HB LYS 15 4.660 4.792 -10.050
128 HG2 LYS 15 2HG LYS 15 5.282 2.966 -11.151
129 HG3 LYS 15 3HG LYS 15 6.941 3.502 -10.870
130 HD2 LYS 15 2HD LYS 15 7.107 1.412 -9.988
131 HD3 LYS 15 3HD LYS 15 6.521 2.254 -8.552
132 HE2 LYS 15 2HE LYS 15 5.253 0.233 -8.841
133 HE3 LYS 15 3HE LYS 15 4.210 1.613 -9.181
134 HZ1 LYS 15 3HZ LYS 15 4.168 -0.375 -10.773
135 HZ2 LYS 15 1HZ LYS 15 5.632 0.233 -11.365
136 HZ3 LYS 15 2HZ LYS 15 4.231 1.179 -11.440
137 H GLY 16 H GLY 16 5.843 4.633 -6.971
138 HA2 GLY 16 2HA GLY 16 5.406 7.384 -5.978
139 HA3 GLY 16 3HA GLY 16 4.371 6.032 -5.537
140 H GLY 17 H GLY 17 4.783 5.066 -3.661
141 HA2 GLY 17 2HA GLY 17 5.960 4.247 -1.853
142 HA3 GLY 17 3HA GLY 17 7.448 4.624 -2.708
Start of MODEL 7
1 H21 PTL 1 HA2 MET 1 0.646 -0.407 -1.094
2 H22 PTL 1 HA3 MET 1 0.974 -0.190 -2.823
3 H31 PTL 1 2HB MET 1 3.085 0.999 -2.234
4 H32 PTL 1 3HB MET 1 1.632 1.829 -1.691
5 H41 PTL 1 2HG MET 1 2.415 0.149 0.416
6 H42 PTL 1 3HG MET 1 3.881 0.927 -0.176
7 H51 PTL 1 H3 MET 1 1.345 2.328 0.663
8 H52 PTL 1 H2 MET 1 2.827 3.115 0.067
9 H53 PTL 1 H1 MET 1 2.850 2.224 1.608
10 H VAL 2 H VAL 2 3.102 -0.989 -3.616
11 HA VAL 2 HA VAL 2 3.523 -3.678 -2.677
12 HB VAL 2 HB VAL 2 5.091 -2.223 -4.805
13 HG11 VAL 2 1HG1 VAL 2 6.265 -4.125 -4.732
14 HG12 VAL 2 2HG1 VAL 2 5.039 -4.950 -3.766
15 HG13 VAL 2 3HG1 VAL 2 4.869 -4.860 -5.520
16 HG21 VAL 2 3HG2 VAL 2 2.497 -3.743 -5.032
17 HG22 VAL 2 1HG2 VAL 2 2.772 -2.040 -5.395
18 HG23 VAL 2 2HG2 VAL 2 3.504 -3.285 -6.405
19 H ALA 3 H ALA 3 4.716 -0.726 -1.742
20 HA ALA 3 HA ALA 3 7.458 -1.170 -1.394
21 HB1 ALA 3 3HB ALA 3 5.763 0.907 -0.906
22 HB2 ALA 3 1HB ALA 3 6.184 0.393 0.728
23 HB3 ALA 3 2HB ALA 3 7.454 0.842 -0.411
24 H ARG 4 H ARG 4 4.783 -2.598 0.154
25 HA ARG 4 HA ARG 4 5.610 -3.082 2.731
26 HB2 ARG 4 2HB ARG 4 3.975 -4.644 0.777
27 HB3 ARG 4 3HB ARG 4 4.426 -5.399 2.300
28 HG2 ARG 4 2HG ARG 4 3.009 -2.754 2.093
29 HG3 ARG 4 3HG ARG 4 2.192 -4.303 2.304
30 HD2 ARG 4 2HD ARG 4 4.027 -4.425 4.288
31 HD3 ARG 4 3HD ARG 4 3.727 -2.688 4.228
32 HE ARG 4 HE ARG 4 1.916 -4.735 5.132
33 HH11 ARG 4 1HH1 ARG 4 2.202 -1.499 3.879
34 HH12 ARG 4 2HH1 ARG 4 0.688 -0.971 4.535
35 HH21 ARG 4 2HH2 ARG 4 -0.609 -2.424 5.742
36 HH22 ARG 4 1HH2 ARG 4 -0.080 -4.052 6.000
37 H GLY 5 H GLY 5 5.905 -5.638 0.273
38 HA2 GLY 5 2HA GLY 5 8.553 -6.280 1.423
39 HA3 GLY 5 3HA GLY 5 7.398 -7.515 0.942
40 H TRP 6 H TRP 6 8.889 -4.617 -0.512
41 HA TRP 6 HA TRP 6 9.428 -6.246 -2.909
42 HB2 TRP 6 2HB TRP 6 7.766 -4.659 -3.529
43 HB3 TRP 6 3HB TRP 6 8.595 -3.355 -2.682
44 HD1 TRP 6 HD1 TRP 6 9.125 -1.739 -4.633
45 HE1 TRP 6 HE1 TRP 6 10.478 -1.915 -6.814
46 HE3 TRP 6 HE3 TRP 6 10.000 -6.775 -4.641
47 HZ2 TRP 6 HZ2 TRP 6 11.747 -3.923 -8.339
48 HZ3 TRP 6 HZ3 TRP 6 11.291 -7.745 -6.497
49 HH2 TRP 6 HH2 TRP 6 12.145 -6.347 -8.307
50 H LYS 7 H LYS 7 10.460 -3.061 -1.680
51 HA LYS 7 HA LYS 7 13.246 -3.900 -2.141
52 HB2 LYS 7 2HB LYS 7 11.879 -1.243 -2.452
53 HB3 LYS 7 3HB LYS 7 13.619 -1.335 -2.216
54 HG2 LYS 7 2HG LYS 7 12.017 -2.491 -4.483
55 HG3 LYS 7 3HG LYS 7 13.200 -1.182 -4.551
56 HD2 LYS 7 2HD LYS 7 14.894 -2.888 -3.708
57 HD3 LYS 7 3HD LYS 7 13.679 -4.114 -4.078
58 HE2 LYS 7 2HE LYS 7 13.673 -3.500 -6.392
59 HE3 LYS 7 3HE LYS 7 14.695 -2.099 -6.075
60 HZ1 LYS 7 3HZ LYS 7 16.371 -3.442 -6.610
61 HZ2 LYS 7 1HZ LYS 7 15.431 -4.843 -6.476
62 HZ3 LYS 7 2HZ LYS 7 16.147 -4.170 -5.099
63 H ARG 8 H ARG 8 12.102 -1.048 -0.422
64 HA ARG 8 HA ARG 8 13.417 -2.077 2.004
65 HB2 ARG 8 2HB ARG 8 13.035 0.754 1.024
66 HB3 ARG 8 3HB ARG 8 13.621 0.353 2.633
67 HG2 ARG 8 2HG ARG 8 15.684 0.093 1.879
68 HG3 ARG 8 3HG ARG 8 15.144 -1.056 0.654
69 HD2 ARG 8 2HD ARG 8 15.889 0.535 -0.764
70 HD3 ARG 8 3HD ARG 8 14.299 1.236 -0.463
71 HE ARG 8 HE ARG 8 16.060 2.198 1.481
72 HH11 ARG 8 1HH1 ARG 8 15.540 2.413 -1.954
73 HH12 ARG 8 2HH1 ARG 8 16.223 3.998 -2.091
74 HH21 ARG 8 2HH2 ARG 8 17.032 5.063 -0.230
75 HH22 ARG 8 1HH2 ARG 8 16.962 4.286 1.315
76 H LYS 9 H LYS 9 11.732 0.797 2.468
77 HA LYS 9 HA LYS 9 9.424 -0.650 3.597
78 HB2 LYS 9 2HB LYS 9 9.500 1.585 5.112
79 HB3 LYS 9 3HB LYS 9 10.282 0.076 5.563
80 HG2 LYS 9 2HG LYS 9 12.385 0.862 5.080
81 HG3 LYS 9 3HG LYS 9 11.789 2.063 3.932
82 HD2 LYS 9 2HD LYS 9 12.594 3.155 5.945
83 HD3 LYS 9 3HD LYS 9 10.846 3.355 5.803
84 HE2 LYS 9 2HE LYS 9 10.461 2.235 7.700
85 HE3 LYS 9 3HE LYS 9 11.604 0.961 7.279
86 HZ1 LYS 9 3HZ LYS 9 12.962 1.802 8.792
87 HZ2 LYS 9 1HZ LYS 9 11.936 3.117 9.075
88 HZ3 LYS 9 2HZ LYS 9 13.111 3.208 7.861
89 H CYS 10 H CYS 10 10.099 2.816 3.295
90 HA CYS 10 HA CYS 10 7.486 3.403 2.382
91 HB2 CYS 10 2HB CYS 10 9.907 4.877 3.032
92 HB3 CYS 10 3HB CYS 10 9.083 5.561 1.636
93 HG CYS 10 HG CYS 10 7.497 6.960 3.075
94 HA PRO 11 HA PRO 11 9.449 4.121 -1.957
95 HB2 PRO 11 2HB PRO 11 12.063 3.471 -2.293
96 HB3 PRO 11 3HB PRO 11 11.533 5.068 -1.755
97 HG2 PRO 11 2HG PRO 11 12.564 2.770 -0.137
98 HG3 PRO 11 3HG PRO 11 12.945 4.497 0.002
99 HD2 PRO 11 2HD PRO 11 11.192 3.255 1.650
100 HD3 PRO 11 3HD PRO 11 11.016 4.957 1.176
101 H LEU 12 H LEU 12 9.080 2.669 -3.542
102 HA LEU 12 HA LEU 12 9.629 -0.163 -2.943
103 HB2 LEU 12 2HB LEU 12 7.756 -0.398 -4.792
104 HB3 LEU 12 3HB LEU 12 7.367 -0.183 -3.086
105 HG LEU 12 HG LEU 12 7.535 2.193 -4.898
106 HD11 LEU 12 1HD1 LEU 12 6.038 0.971 -6.171
107 HD12 LEU 12 2HD1 LEU 12 4.978 1.852 -5.073
108 HD13 LEU 12 3HD1 LEU 12 5.350 0.155 -4.767
109 HD21 LEU 12 3HD2 LEU 12 5.490 1.931 -2.800
110 HD22 LEU 12 1HD2 LEU 12 6.534 3.293 -3.208
111 HD23 LEU 12 2HD2 LEU 12 7.160 1.964 -2.231
112 H PHE 13 H PHE 13 8.529 1.014 -6.036
113 HA PHE 13 HA PHE 13 10.927 -0.075 -7.280
114 HB2 PHE 13 2HB PHE 13 8.350 0.947 -8.490
115 HB3 PHE 13 3HB PHE 13 9.673 0.225 -9.400
116 HD1 PHE 13 HD1 PHE 13 7.283 -0.487 -6.644
117 HD2 PHE 13 HD2 PHE 13 9.727 -2.064 -9.751
118 HE1 PHE 13 HE1 PHE 13 6.314 -2.716 -6.270
119 HE2 PHE 13 HE2 PHE 13 8.761 -4.297 -9.382
120 HZ PHE 13 HZ PHE 13 7.051 -4.626 -7.640
121 H GLY 14 H GLY 14 9.186 2.481 -8.845
122 HA2 GLY 14 2HA GLY 14 11.505 4.268 -8.444
123 HA3 GLY 14 3HA GLY 14 10.724 4.077 -10.006
124 H LYS 15 H LYS 15 8.103 3.914 -8.371
125 HA LYS 15 HA LYS 15 7.346 6.613 -8.761
126 HB2 LYS 15 2HB LYS 15 5.252 5.888 -7.512
127 HB3 LYS 15 3HB LYS 15 5.638 4.995 -8.978
128 HG2 LYS 15 2HG LYS 15 6.786 3.837 -6.555
129 HG3 LYS 15 3HG LYS 15 5.022 3.886 -6.566
130 HD2 LYS 15 2HD LYS 15 6.123 3.013 -9.110
131 HD3 LYS 15 3HD LYS 15 6.620 1.975 -7.771
132 HE2 LYS 15 2HE LYS 15 4.548 1.157 -7.479
133 HE3 LYS 15 3HE LYS 15 3.788 2.726 -7.735
134 HZ1 LYS 15 3HZ LYS 15 4.814 0.945 -9.880
135 HZ2 LYS 15 1HZ LYS 15 4.052 2.438 -10.112
136 HZ3 LYS 15 2HZ LYS 15 3.186 1.140 -9.461
137 H GLY 16 H GLY 16 5.864 5.906 -5.930
138 HA2 GLY 16 2HA GLY 16 7.852 7.426 -4.356
139 HA3 GLY 16 3HA GLY 16 6.123 7.725 -4.247
140 H GLY 17 H GLY 17 4.868 6.464 -2.938
141 HA2 GLY 17 2HA GLY 17 4.945 4.017 -2.000
142 HA3 GLY 17 3HA GLY 17 6.343 4.666 -1.156
Start of MODEL 8
1 H21 PTL 1 H1 MET 1 1.957 -1.590 1.571
2 H22 PTL 1 HA MET 1 1.111 -1.407 0.045
3 H31 PTL 1 2HB MET 1 3.639 0.088 0.760
4 H32 PTL 1 3HB MET 1 2.694 0.287 -0.709
5 H41 PTL 1 2HG MET 1 1.240 1.656 0.274
6 H42 PTL 1 3HG MET 1 1.130 0.650 1.716
7 H51 PTL 1 H3 MET 1 3.216 1.601 2.550
8 H52 PTL 1 H2 MET 1 1.995 2.861 2.246
9 H53 PTL 1 H4 MET 1 3.328 2.617 1.093
10 H VAL 2 H VAL 2 2.880 -1.377 -1.892
11 HA VAL 2 HA VAL 2 3.746 -4.047 -2.122
12 HB VAL 2 HB VAL 2 4.473 -1.619 -3.765
13 HG11 VAL 2 1HG1 VAL 2 5.341 -4.439 -3.929
14 HG12 VAL 2 2HG1 VAL 2 4.878 -3.666 -5.446
15 HG13 VAL 2 3HG1 VAL 2 6.158 -2.967 -4.453
16 HG21 VAL 2 3HG2 VAL 2 2.099 -2.184 -3.800
17 HG22 VAL 2 1HG2 VAL 2 2.850 -2.527 -5.359
18 HG23 VAL 2 2HG2 VAL 2 2.491 -3.845 -4.244
19 H ALA 3 H ALA 3 5.256 -1.237 -0.823
20 HA ALA 3 HA ALA 3 7.956 -1.782 -1.166
21 HB1 ALA 3 3HB ALA 3 8.371 -0.324 0.665
22 HB2 ALA 3 1HB ALA 3 6.948 0.291 -0.176
23 HB3 ALA 3 2HB ALA 3 6.764 -0.604 1.333
24 H ARG 4 H ARG 4 5.701 -3.010 1.266
25 HA ARG 4 HA ARG 4 7.600 -4.358 2.853
26 HB2 ARG 4 2HB ARG 4 5.405 -3.923 3.732
27 HB3 ARG 4 3HB ARG 4 4.649 -4.837 2.432
28 HG2 ARG 4 2HG ARG 4 6.588 -6.273 4.147
29 HG3 ARG 4 3HG ARG 4 5.030 -5.843 4.856
30 HD2 ARG 4 2HD ARG 4 4.545 -6.881 2.264
31 HD3 ARG 4 3HD ARG 4 5.657 -7.979 3.081
32 HE ARG 4 HE ARG 4 2.891 -7.555 3.691
33 HH11 ARG 4 1HH1 ARG 4 5.974 -8.489 5.009
34 HH12 ARG 4 2HH1 ARG 4 5.289 -9.420 6.298
35 HH21 ARG 4 2HH2 ARG 4 3.014 -9.584 6.512
36 HH22 ARG 4 1HH2 ARG 4 1.976 -8.778 5.385
37 H GLY 5 H GLY 5 6.436 -5.007 -0.267
38 HA2 GLY 5 2HA GLY 5 7.418 -7.789 -0.084
39 HA3 GLY 5 3HA GLY 5 6.113 -7.298 -1.153
40 H TRP 6 H TRP 6 8.317 -4.844 -1.136
41 HA TRP 6 HA TRP 6 9.735 -5.953 -3.470
42 HB2 TRP 6 2HB TRP 6 8.213 -4.310 -4.293
43 HB3 TRP 6 3HB TRP 6 8.644 -3.176 -3.015
44 HD1 TRP 6 HD1 TRP 6 9.444 -1.251 -4.623
45 HE1 TRP 6 HE1 TRP 6 11.482 -0.979 -6.170
46 HE3 TRP 6 HE3 TRP 6 11.084 -6.094 -4.664
47 HZ2 TRP 6 HZ2 TRP 6 13.516 -2.603 -7.264
48 HZ3 TRP 6 HZ3 TRP 6 13.083 -6.651 -5.986
49 HH2 TRP 6 HH2 TRP 6 14.273 -4.939 -7.259
50 H LYS 7 H LYS 7 10.110 -2.935 -1.638
51 HA LYS 7 HA LYS 7 12.912 -3.698 -1.137
52 HB2 LYS 7 2HB LYS 7 11.637 -1.005 -1.596
53 HB3 LYS 7 3HB LYS 7 13.245 -1.174 -0.906
54 HG2 LYS 7 2HG LYS 7 12.338 -2.076 -3.630
55 HG3 LYS 7 3HG LYS 7 13.440 -0.751 -3.254
56 HD2 LYS 7 2HD LYS 7 14.955 -2.459 -2.190
57 HD3 LYS 7 3HD LYS 7 13.904 -3.704 -2.871
58 HE2 LYS 7 2HE LYS 7 15.110 -3.591 -4.737
59 HE3 LYS 7 3HE LYS 7 14.461 -1.971 -4.988
60 HZ1 LYS 7 3HZ LYS 7 16.884 -2.518 -3.370
61 HZ2 LYS 7 1HZ LYS 7 16.320 -1.016 -3.908
62 HZ3 LYS 7 2HZ LYS 7 16.934 -2.134 -5.017
63 H ARG 8 H ARG 8 11.391 -0.934 0.331
64 HA ARG 8 HA ARG 8 11.412 -2.331 2.927
65 HB2 ARG 8 2HB ARG 8 12.301 0.468 2.241
66 HB3 ARG 8 3HB ARG 8 11.941 -0.030 3.889
67 HG2 ARG 8 2HG ARG 8 13.831 -1.249 4.082
68 HG3 ARG 8 3HG ARG 8 13.817 -1.741 2.387
69 HD2 ARG 8 2HD ARG 8 15.234 -0.116 1.837
70 HD3 ARG 8 3HD ARG 8 14.222 1.099 2.616
71 HE ARG 8 HE ARG 8 15.623 -0.300 4.597
72 HH11 ARG 8 1HH1 ARG 8 16.217 1.925 1.985
73 HH12 ARG 8 2HH1 ARG 8 17.616 2.626 2.727
74 HH21 ARG 8 2HH2 ARG 8 18.327 1.879 4.773
75 HH22 ARG 8 1HH2 ARG 8 17.465 0.615 5.584
76 H LYS 9 H LYS 9 10.513 0.950 2.937
77 HA LYS 9 HA LYS 9 7.655 0.239 2.912
78 HB2 LYS 9 2HB LYS 9 9.112 2.036 4.855
79 HB3 LYS 9 3HB LYS 9 7.360 1.968 4.717
80 HG2 LYS 9 2HG LYS 9 7.281 0.214 6.059
81 HG3 LYS 9 3HG LYS 9 8.387 -0.682 5.015
82 HD2 LYS 9 2HD LYS 9 9.505 -0.617 7.057
83 HD3 LYS 9 3HD LYS 9 10.238 0.708 6.151
84 HE2 LYS 9 2HE LYS 9 9.221 2.321 7.428
85 HE3 LYS 9 3HE LYS 9 7.864 1.281 7.855
86 HZ1 LYS 9 3HZ LYS 9 10.164 1.800 9.345
87 HZ2 LYS 9 1HZ LYS 9 10.219 0.168 8.898
88 HZ3 LYS 9 2HZ LYS 9 8.879 0.771 9.737
89 H CYS 10 H CYS 10 9.697 3.162 3.096
90 HA CYS 10 HA CYS 10 7.859 4.715 1.568
91 HB2 CYS 10 2HB CYS 10 10.436 5.136 2.913
92 HB3 CYS 10 3HB CYS 10 10.224 6.104 1.459
93 HG CYS 10 HG CYS 10 9.461 7.220 4.156
94 HA PRO 11 HA PRO 11 11.157 4.335 -1.935
95 HB2 PRO 11 2HB PRO 11 13.175 2.555 -1.567
96 HB3 PRO 11 3HB PRO 11 13.276 4.243 -1.052
97 HG2 PRO 11 2HG PRO 11 12.640 1.803 0.563
98 HG3 PRO 11 3HG PRO 11 13.686 3.175 0.973
99 HD2 PRO 11 2HD PRO 11 11.160 2.937 1.918
100 HD3 PRO 11 3HD PRO 11 11.910 4.511 1.583
101 H LEU 12 H LEU 12 10.227 3.267 -3.554
102 HA LEU 12 HA LEU 12 9.757 0.373 -3.251
103 HB2 LEU 12 2HB LEU 12 7.715 1.882 -3.210
104 HB3 LEU 12 3HB LEU 12 8.062 2.228 -4.903
105 HG LEU 12 HG LEU 12 7.884 -0.279 -5.295
106 HD11 LEU 12 1HD1 LEU 12 7.443 -1.669 -3.622
107 HD12 LEU 12 2HD1 LEU 12 6.093 -0.676 -3.071
108 HD13 LEU 12 3HD1 LEU 12 7.729 -0.325 -2.515
109 HD21 LEU 12 3HD2 LEU 12 5.228 0.568 -4.373
110 HD22 LEU 12 1HD2 LEU 12 5.770 0.060 -5.973
111 HD23 LEU 12 2HD2 LEU 12 6.050 1.715 -5.433
112 H PHE 13 H PHE 13 8.662 1.292 -6.197
113 HA PHE 13 HA PHE 13 11.086 0.325 -7.503
114 HB2 PHE 13 2HB PHE 13 8.252 0.698 -8.479
115 HB3 PHE 13 3HB PHE 13 9.579 0.214 -9.532
116 HD1 PHE 13 HD1 PHE 13 7.182 -0.848 -7.061
117 HD2 PHE 13 HD2 PHE 13 10.741 -1.949 -9.119
118 HE1 PHE 13 HE1 PHE 13 6.818 -3.197 -6.426
119 HE2 PHE 13 HE2 PHE 13 10.383 -4.301 -8.489
120 HZ PHE 13 HZ PHE 13 8.418 -4.927 -7.141
121 H GLY 14 H GLY 14 8.765 2.435 -9.062
122 HA2 GLY 14 2HA GLY 14 10.883 4.482 -9.312
123 HA3 GLY 14 3HA GLY 14 9.863 4.013 -10.664
124 H LYS 15 H LYS 15 7.967 3.916 -7.972
125 HA LYS 15 HA LYS 15 6.758 6.480 -8.641
126 HB2 LYS 15 2HB LYS 15 5.734 4.442 -6.667
127 HB3 LYS 15 3HB LYS 15 4.827 5.724 -7.462
128 HG2 LYS 15 2HG LYS 15 4.156 3.973 -8.731
129 HG3 LYS 15 3HG LYS 15 5.607 4.418 -9.632
130 HD2 LYS 15 2HD LYS 15 6.792 2.601 -8.885
131 HD3 LYS 15 3HD LYS 15 5.868 2.479 -7.385
132 HE2 LYS 15 2HE LYS 15 5.061 0.661 -8.520
133 HE3 LYS 15 3HE LYS 15 3.902 1.890 -9.025
134 HZ1 LYS 15 3HZ LYS 15 5.949 0.526 -10.571
135 HZ2 LYS 15 1HZ LYS 15 5.753 2.173 -10.904
136 HZ3 LYS 15 2HZ LYS 15 4.439 1.118 -11.054
137 H GLY 16 H GLY 16 5.717 5.931 -5.636
138 HA2 GLY 16 2HA GLY 16 7.855 7.566 -4.413
139 HA3 GLY 16 3HA GLY 16 6.148 7.850 -4.108
140 H GLY 17 H GLY 17 5.454 5.041 -3.922
141 HA2 GLY 17 2HA GLY 17 5.199 3.483 -2.252
142 HA3 GLY 17 3HA GLY 17 6.948 3.572 -2.112
Start of MODEL 9
1 H21 PTL 1 H1 MET 1 2.201 -0.343 1.140
2 H22 PTL 1 HA MET 1 1.608 0.035 -0.467
3 H31 PTL 1 2HB MET 1 4.423 0.625 0.466
4 H32 PTL 1 3HB MET 1 3.724 1.069 -1.085
5 H41 PTL 1 2HG MET 1 2.743 2.887 -0.253
6 H42 PTL 1 3HG MET 1 2.186 2.039 1.188
7 H51 PTL 1 H3 MET 1 4.426 2.287 2.211
8 H52 PTL 1 H2 MET 1 3.733 3.869 1.783
9 H53 PTL 1 H4 MET 1 4.990 3.142 0.755
10 H VAL 2 H VAL 2 3.647 -0.573 -2.131
11 HA VAL 2 HA VAL 2 3.677 -3.474 -1.995
12 HB VAL 2 HB VAL 2 4.704 -1.633 -4.160
13 HG11 VAL 2 1HG1 VAL 2 5.797 -3.545 -4.701
14 HG12 VAL 2 2HG1 VAL 2 4.658 -4.574 -3.831
15 HG13 VAL 2 3HG1 VAL 2 4.237 -3.939 -5.423
16 HG21 VAL 2 3HG2 VAL 2 2.604 -1.398 -4.846
17 HG22 VAL 2 1HG2 VAL 2 2.399 -3.150 -4.902
18 HG23 VAL 2 2HG2 VAL 2 2.057 -2.268 -3.413
19 H ALA 3 H ALA 3 5.730 -0.905 -1.177
20 HA ALA 3 HA ALA 3 8.252 -2.086 -1.713
21 HB1 ALA 3 3HB ALA 3 8.570 -0.379 0.479
22 HB2 ALA 3 1HB ALA 3 8.830 0.001 -1.224
23 HB3 ALA 3 2HB ALA 3 7.263 0.317 -0.479
24 H ARG 4 H ARG 4 5.947 -2.412 0.875
25 HA ARG 4 HA ARG 4 7.491 -3.343 2.957
26 HB2 ARG 4 2HB ARG 4 4.703 -3.939 2.049
27 HB3 ARG 4 3HB ARG 4 5.391 -4.867 3.376
28 HG2 ARG 4 2HG ARG 4 4.889 -3.240 4.784
29 HG3 ARG 4 3HG ARG 4 5.904 -2.122 3.870
30 HD2 ARG 4 2HD ARG 4 4.140 -1.233 2.732
31 HD3 ARG 4 3HD ARG 4 3.214 -2.733 2.781
32 HE ARG 4 HE ARG 4 3.089 -0.581 4.647
33 HH11 ARG 4 1HH1 ARG 4 2.793 -4.035 4.334
34 HH12 ARG 4 2HH1 ARG 4 1.738 -4.199 5.698
35 HH21 ARG 4 2HH2 ARG 4 1.116 -2.349 6.898
36 HH22 ARG 4 1HH2 ARG 4 1.701 -0.784 6.445
37 H GLY 5 H GLY 5 6.585 -4.970 -0.003
38 HA2 GLY 5 2HA GLY 5 8.116 -7.331 0.903
39 HA3 GLY 5 3HA GLY 5 6.713 -7.446 -0.151
40 H TRP 6 H TRP 6 7.959 -4.797 -1.327
41 HA TRP 6 HA TRP 6 9.423 -6.213 -3.407
42 HB2 TRP 6 2HB TRP 6 7.783 -4.691 -4.232
43 HB3 TRP 6 3HB TRP 6 8.360 -3.396 -3.186
44 HD1 TRP 6 HD1 TRP 6 8.960 -1.685 -5.077
45 HE1 TRP 6 HE1 TRP 6 10.751 -1.635 -6.925
46 HE3 TRP 6 HE3 TRP 6 10.536 -6.541 -4.814
47 HZ2 TRP 6 HZ2 TRP 6 12.588 -3.417 -8.115
48 HZ3 TRP 6 HZ3 TRP 6 12.313 -7.289 -6.343
49 HH2 TRP 6 HH2 TRP 6 13.317 -5.758 -7.958
50 H LYS 7 H LYS 7 9.932 -3.208 -1.545
51 HA LYS 7 HA LYS 7 12.825 -3.768 -1.637
52 HB2 LYS 7 2HB LYS 7 11.348 -1.150 -1.862
53 HB3 LYS 7 3HB LYS 7 13.053 -1.226 -1.436
54 HG2 LYS 7 2HG LYS 7 11.762 -2.137 -3.994
55 HG3 LYS 7 3HG LYS 7 12.901 -0.807 -3.770
56 HD2 LYS 7 2HD LYS 7 14.566 -2.533 -2.972
57 HD3 LYS 7 3HD LYS 7 13.434 -3.763 -3.540
58 HE2 LYS 7 2HE LYS 7 13.517 -2.372 -5.758
59 HE3 LYS 7 3HE LYS 7 15.045 -1.791 -5.099
60 HZ1 LYS 7 3HZ LYS 7 14.811 -4.004 -6.560
61 HZ2 LYS 7 1HZ LYS 7 14.656 -4.664 -5.010
62 HZ3 LYS 7 2HZ LYS 7 16.033 -3.768 -5.415
63 H ARG 8 H ARG 8 11.360 -1.114 0.095
64 HA ARG 8 HA ARG 8 11.971 -2.481 2.634
65 HB2 ARG 8 2HB ARG 8 12.469 0.366 1.792
66 HB3 ARG 8 3HB ARG 8 12.373 -0.087 3.488
67 HG2 ARG 8 2HG ARG 8 14.306 -1.377 3.381
68 HG3 ARG 8 3HG ARG 8 14.236 -1.503 1.623
69 HD2 ARG 8 2HD ARG 8 14.936 0.730 1.336
70 HD3 ARG 8 3HD ARG 8 14.640 1.122 3.029
71 HE ARG 8 HE ARG 8 16.711 0.297 3.546
72 HH11 ARG 8 1HH1 ARG 8 15.813 -0.786 0.362
73 HH12 ARG 8 2HH1 ARG 8 17.368 -1.464 0.011
74 HH21 ARG 8 2HH2 ARG 8 19.046 -1.353 1.567
75 HH22 ARG 8 1HH2 ARG 8 18.764 -0.591 3.096
76 H LYS 9 H LYS 9 10.708 0.705 2.706
77 HA LYS 9 HA LYS 9 8.029 -0.345 3.345
78 HB2 LYS 9 2HB LYS 9 9.592 1.844 4.715
79 HB3 LYS 9 3HB LYS 9 7.869 1.594 4.963
80 HG2 LYS 9 2HG LYS 9 8.180 -0.222 6.258
81 HG3 LYS 9 3HG LYS 9 9.579 -0.777 5.334
82 HD2 LYS 9 2HD LYS 9 10.822 1.202 6.375
83 HD3 LYS 9 3HD LYS 9 9.465 1.304 7.500
84 HE2 LYS 9 2HE LYS 9 9.976 -0.697 8.507
85 HE3 LYS 9 3HE LYS 9 10.792 -1.331 7.079
86 HZ1 LYS 9 3HZ LYS 9 12.398 -0.849 8.774
87 HZ2 LYS 9 1HZ LYS 9 11.835 0.738 8.935
88 HZ3 LYS 9 2HZ LYS 9 12.604 0.254 7.509
89 H CYS 10 H CYS 10 9.425 2.909 2.974
90 HA CYS 10 HA CYS 10 7.133 3.815 1.512
91 HB2 CYS 10 2HB CYS 10 9.432 5.001 2.797
92 HB3 CYS 10 3HB CYS 10 9.201 5.692 1.196
93 HG CYS 10 HG CYS 10 7.948 6.992 3.613
94 HA PRO 11 HA PRO 11 10.207 4.097 -2.187
95 HB2 PRO 11 2HB PRO 11 12.705 3.091 -1.840
96 HB3 PRO 11 3HB PRO 11 12.283 4.766 -1.465
97 HG2 PRO 11 2HG PRO 11 12.543 2.420 0.376
98 HG3 PRO 11 3HG PRO 11 13.112 4.084 0.599
99 HD2 PRO 11 2HD PRO 11 10.846 3.154 1.750
100 HD3 PRO 11 3HD PRO 11 11.032 4.843 1.238
101 H LEU 12 H LEU 12 9.508 2.632 -3.599
102 HA LEU 12 HA LEU 12 10.080 -0.211 -3.081
103 HB2 LEU 12 2HB LEU 12 7.885 -0.012 -4.836
104 HB3 LEU 12 3HB LEU 12 7.914 -0.641 -3.190
105 HG LEU 12 HG LEU 12 7.580 1.812 -2.476
106 HD11 LEU 12 1HD1 LEU 12 8.061 2.706 -4.757
107 HD12 LEU 12 2HD1 LEU 12 6.546 3.270 -4.054
108 HD13 LEU 12 3HD1 LEU 12 6.530 2.013 -5.290
109 HD21 LEU 12 3HD2 LEU 12 5.591 0.967 -1.979
110 HD22 LEU 12 1HD2 LEU 12 5.784 -0.270 -3.222
111 HD23 LEU 12 2HD2 LEU 12 5.055 1.283 -3.631
112 H PHE 13 H PHE 13 8.635 1.307 -5.920
113 HA PHE 13 HA PHE 13 10.812 0.193 -7.538
114 HB2 PHE 13 2HB PHE 13 8.169 1.279 -8.518
115 HB3 PHE 13 3HB PHE 13 9.315 0.285 -9.411
116 HD1 PHE 13 HD1 PHE 13 6.932 0.274 -6.586
117 HD2 PHE 13 HD2 PHE 13 9.234 -2.059 -9.300
118 HE1 PHE 13 HE1 PHE 13 5.737 -1.748 -5.854
119 HE2 PHE 13 HE2 PHE 13 8.044 -4.086 -8.573
120 HZ PHE 13 HZ PHE 13 6.292 -3.932 -6.849
121 H GLY 14 H GLY 14 9.117 2.454 -9.287
122 HA2 GLY 14 2HA GLY 14 11.216 4.483 -8.819
123 HA3 GLY 14 3HA GLY 14 10.521 4.144 -10.398
124 H LYS 15 H LYS 15 8.345 4.118 -7.751
125 HA LYS 15 HA LYS 15 7.190 6.639 -8.704
126 HB2 LYS 15 2HB LYS 15 5.931 4.578 -6.890
127 HB3 LYS 15 3HB LYS 15 5.123 5.921 -7.690
128 HG2 LYS 15 2HG LYS 15 4.546 4.345 -9.177
129 HG3 LYS 15 3HG LYS 15 6.160 4.648 -9.826
130 HD2 LYS 15 2HD LYS 15 6.875 2.609 -9.254
131 HD3 LYS 15 3HD LYS 15 6.179 2.734 -7.636
132 HE2 LYS 15 2HE LYS 15 4.959 0.994 -8.514
133 HE3 LYS 15 3HE LYS 15 3.922 2.365 -8.900
134 HZ1 LYS 15 3HZ LYS 15 5.866 1.830 -10.937
135 HZ2 LYS 15 1HZ LYS 15 4.191 2.031 -11.070
136 HZ3 LYS 15 2HZ LYS 15 4.832 0.518 -10.669
137 H GLY 16 H GLY 16 5.812 6.065 -5.812
138 HA2 GLY 16 2HA GLY 16 7.759 7.771 -4.385
139 HA3 GLY 16 3HA GLY 16 6.021 7.988 -4.250
140 H GLY 17 H GLY 17 4.894 5.774 -3.632
141 HA2 GLY 17 2HA GLY 17 5.750 3.695 -2.285
142 HA3 GLY 17 3HA GLY 17 6.210 4.953 -1.146
Start of MODEL 10
1 H21 PTL 1 H1 MET 1 1.469 -0.911 0.320
2 H22 PTL 1 HA MET 1 2.815 -0.646 1.411
3 H31 PTL 1 2HB MET 1 0.444 -2.083 1.953
4 H32 PTL 1 3HB MET 1 1.745 -3.264 1.906
5 H41 PTL 1 2HG MET 1 1.641 -0.791 3.618
6 H42 PTL 1 3HG MET 1 1.405 -2.453 4.157
7 H51 PTL 1 H3 MET 1 3.699 -2.992 3.526
8 H52 PTL 1 H2 MET 1 3.638 -1.657 4.701
9 H53 PTL 1 H4 MET 1 3.936 -1.314 2.980
10 H VAL 2 H VAL 2 2.731 -1.240 -1.524
11 HA VAL 2 HA VAL 2 3.653 -3.814 -2.089
12 HB VAL 2 HB VAL 2 4.290 -1.208 -3.476
13 HG11 VAL 2 1HG1 VAL 2 5.939 -2.472 -4.388
14 HG12 VAL 2 2HG1 VAL 2 5.122 -3.995 -4.031
15 HG13 VAL 2 3HG1 VAL 2 4.609 -3.020 -5.408
16 HG21 VAL 2 3HG2 VAL 2 2.622 -2.186 -5.141
17 HG22 VAL 2 1HG2 VAL 2 2.180 -3.311 -3.857
18 HG23 VAL 2 2HG2 VAL 2 1.974 -1.576 -3.619
19 H ALA 3 H ALA 3 5.216 -1.184 -0.522
20 HA ALA 3 HA ALA 3 7.905 -1.730 -1.085
21 HB1 ALA 3 3HB ALA 3 8.444 -0.348 0.750
22 HB2 ALA 3 1HB ALA 3 6.944 0.300 0.084
23 HB3 ALA 3 2HB ALA 3 6.907 -0.680 1.549
24 H ARG 4 H ARG 4 5.770 -2.981 1.453
25 HA ARG 4 HA ARG 4 7.692 -4.463 2.856
26 HB2 ARG 4 2HB ARG 4 5.569 -4.058 3.876
27 HB3 ARG 4 3HB ARG 4 4.714 -4.828 2.548
28 HG2 ARG 4 2HG ARG 4 6.663 -6.504 3.996
29 HG3 ARG 4 3HG ARG 4 5.209 -6.036 4.880
30 HD2 ARG 4 2HD ARG 4 4.343 -6.798 2.327
31 HD3 ARG 4 3HD ARG 4 5.538 -8.002 2.805
32 HE ARG 4 HE ARG 4 4.074 -8.779 4.384
33 HH11 ARG 4 1HH1 ARG 4 3.018 -5.648 3.288
34 HH12 ARG 4 2HH1 ARG 4 1.505 -5.720 4.128
35 HH21 ARG 4 2HH2 ARG 4 0.976 -7.561 5.385
36 HH22 ARG 4 1HH2 ARG 4 2.086 -8.885 5.496
37 H GLY 5 H GLY 5 6.296 -4.970 -0.217
38 HA2 GLY 5 2HA GLY 5 7.260 -7.763 -0.218
39 HA3 GLY 5 3HA GLY 5 5.922 -7.194 -1.204
40 H TRP 6 H TRP 6 8.197 -4.799 -1.155
41 HA TRP 6 HA TRP 6 9.464 -5.812 -3.617
42 HB2 TRP 6 2HB TRP 6 7.970 -4.065 -4.259
43 HB3 TRP 6 3HB TRP 6 8.506 -3.032 -2.938
44 HD1 TRP 6 HD1 TRP 6 9.386 -1.028 -4.364
45 HE1 TRP 6 HE1 TRP 6 11.325 -0.738 -6.031
46 HE3 TRP 6 HE3 TRP 6 10.631 -5.943 -5.023
47 HZ2 TRP 6 HZ2 TRP 6 13.141 -2.377 -7.441
48 HZ3 TRP 6 HZ3 TRP 6 12.480 -6.496 -6.549
49 HH2 TRP 6 HH2 TRP 6 13.708 -4.749 -7.732
50 H LYS 7 H LYS 7 10.038 -2.943 -1.601
51 HA LYS 7 HA LYS 7 12.822 -3.852 -1.268
52 HB2 LYS 7 2HB LYS 7 11.673 -1.086 -1.599
53 HB3 LYS 7 3HB LYS 7 13.289 -1.354 -0.958
54 HG2 LYS 7 2HG LYS 7 12.269 -2.115 -3.684
55 HG3 LYS 7 3HG LYS 7 13.455 -0.867 -3.293
56 HD2 LYS 7 2HD LYS 7 14.889 -2.702 -2.324
57 HD3 LYS 7 3HD LYS 7 13.755 -3.854 -3.034
58 HE2 LYS 7 2HE LYS 7 15.027 -3.745 -4.866
59 HE3 LYS 7 3HE LYS 7 14.317 -2.154 -5.126
60 HZ1 LYS 7 3HZ LYS 7 16.195 -1.109 -4.480
61 HZ2 LYS 7 1HZ LYS 7 16.922 -2.554 -4.976
62 HZ3 LYS 7 2HZ LYS 7 16.610 -2.283 -3.336
63 H ARG 8 H ARG 8 11.453 -1.080 0.345
64 HA ARG 8 HA ARG 8 11.546 -2.558 2.894
65 HB2 ARG 8 2HB ARG 8 12.435 0.260 2.281
66 HB3 ARG 8 3HB ARG 8 12.182 -0.330 3.918
67 HG2 ARG 8 2HG ARG 8 14.085 -1.529 3.925
68 HG3 ARG 8 3HG ARG 8 13.928 -1.988 2.229
69 HD2 ARG 8 2HD ARG 8 14.383 0.665 1.986
70 HD3 ARG 8 3HD ARG 8 15.292 0.316 3.456
71 HE ARG 8 HE ARG 8 15.963 -0.468 0.786
72 HH11 ARG 8 1HH1 ARG 8 16.276 -1.312 4.149
73 HH12 ARG 8 2HH1 ARG 8 17.739 -2.212 3.922
74 HH21 ARG 8 2HH2 ARG 8 18.656 -2.402 1.831
75 HH22 ARG 8 1HH2 ARG 8 17.889 -1.650 0.474
76 H LYS 9 H LYS 9 10.727 0.712 3.139
77 HA LYS 9 HA LYS 9 7.850 0.075 3.154
78 HB2 LYS 9 2HB LYS 9 9.485 1.594 5.174
79 HB3 LYS 9 3HB LYS 9 7.748 1.833 5.036
80 HG2 LYS 9 2HG LYS 9 7.568 0.173 6.505
81 HG3 LYS 9 3HG LYS 9 7.969 -0.898 5.161
82 HD2 LYS 9 2HD LYS 9 10.318 -0.814 5.756
83 HD3 LYS 9 3HD LYS 9 9.976 0.347 7.041
84 HE2 LYS 9 2HE LYS 9 8.327 -2.010 7.295
85 HE3 LYS 9 3HE LYS 9 10.037 -2.436 7.245
86 HZ1 LYS 9 3HZ LYS 9 9.294 -0.201 8.960
87 HZ2 LYS 9 1HZ LYS 9 10.443 -1.420 9.204
88 HZ3 LYS 9 2HZ LYS 9 8.802 -1.738 9.470
89 H CYS 10 H CYS 10 9.927 2.960 3.475
90 HA CYS 10 HA CYS 10 8.091 4.627 2.083
91 HB2 CYS 10 2HB CYS 10 10.649 4.924 3.439
92 HB3 CYS 10 3HB CYS 10 10.560 5.905 1.982
93 HG CYS 10 HG CYS 10 8.766 7.636 2.801
94 HA PRO 11 HA PRO 11 11.262 4.392 -1.548
95 HB2 PRO 11 2HB PRO 11 13.262 2.568 -1.349
96 HB3 PRO 11 3HB PRO 11 13.407 4.223 -0.744
97 HG2 PRO 11 2HG PRO 11 12.787 1.706 0.753
98 HG3 PRO 11 3HG PRO 11 13.868 3.037 1.203
99 HD2 PRO 11 2HD PRO 11 11.372 2.780 2.219
100 HD3 PRO 11 3HD PRO 11 12.134 4.362 1.946
101 H LEU 12 H LEU 12 10.290 3.423 -3.205
102 HA LEU 12 HA LEU 12 9.756 0.530 -3.032
103 HB2 LEU 12 2HB LEU 12 7.754 2.082 -2.888
104 HB3 LEU 12 3HB LEU 12 8.085 2.503 -4.567
105 HG LEU 12 HG LEU 12 7.866 -0.015 -5.031
106 HD11 LEU 12 1HD1 LEU 12 7.615 -0.096 -2.263
107 HD12 LEU 12 2HD1 LEU 12 7.296 -1.407 -3.398
108 HD13 LEU 12 3HD1 LEU 12 5.982 -0.355 -2.873
109 HD21 LEU 12 3HD2 LEU 12 5.656 0.282 -5.605
110 HD22 LEU 12 1HD2 LEU 12 6.198 1.952 -5.436
111 HD23 LEU 12 2HD2 LEU 12 5.284 1.187 -4.137
112 H PHE 13 H PHE 13 8.646 1.635 -5.914
113 HA PHE 13 HA PHE 13 10.996 0.625 -7.311
114 HB2 PHE 13 2HB PHE 13 8.179 1.236 -8.208
115 HB3 PHE 13 3HB PHE 13 9.456 0.772 -9.326
116 HD1 PHE 13 HD1 PHE 13 7.112 -0.360 -6.812
117 HD2 PHE 13 HD2 PHE 13 10.450 -1.479 -9.203
118 HE1 PHE 13 HE1 PHE 13 6.633 -2.732 -6.363
119 HE2 PHE 13 HE2 PHE 13 9.977 -3.852 -8.758
120 HZ PHE 13 HZ PHE 13 8.066 -4.481 -7.338
121 H GLY 14 H GLY 14 9.156 2.638 -9.273
122 HA2 GLY 14 2HA GLY 14 11.065 4.865 -8.915
123 HA3 GLY 14 3HA GLY 14 10.645 4.250 -10.507
124 H LYS 15 H LYS 15 8.116 4.310 -8.198
125 HA LYS 15 HA LYS 15 7.009 6.718 -9.488
126 HB2 LYS 15 2HB LYS 15 4.948 5.191 -8.252
127 HB3 LYS 15 3HB LYS 15 5.178 5.537 -9.961
128 HG2 LYS 15 2HG LYS 15 5.152 3.245 -9.955
129 HG3 LYS 15 3HG LYS 15 6.883 3.571 -9.847
130 HD2 LYS 15 2HD LYS 15 6.324 1.856 -8.259
131 HD3 LYS 15 3HD LYS 15 6.710 3.335 -7.376
132 HE2 LYS 15 2HE LYS 15 4.761 3.114 -6.327
133 HE3 LYS 15 3HE LYS 15 3.970 3.480 -7.859
134 HZ1 LYS 15 3HZ LYS 15 4.805 0.738 -7.616
135 HZ2 LYS 15 1HZ LYS 15 3.314 1.377 -8.100
136 HZ3 LYS 15 2HZ LYS 15 3.662 1.194 -6.455
137 H GLY 16 H GLY 16 5.909 4.932 -6.633
138 HA2 GLY 16 2HA GLY 16 6.372 7.382 -5.045
139 HA3 GLY 16 3HA GLY 16 4.919 6.407 -4.879
140 H GLY 17 H GLY 17 4.893 5.021 -3.242
141 HA2 GLY 17 2HA GLY 17 6.058 3.078 -2.230
142 HA3 GLY 17 3HA GLY 17 7.494 4.091 -2.189
Start of MODEL 11
1 H21 PTL 1 H1 PTL 1 1.854 -2.339 1.617
2 H22 PTL 1 HA PTL 1 1.115 -1.806 0.119
3 H31 PTL 1 2HB PTL 1 3.531 -0.507 1.393
4 H32 PTL 1 3HB PTL 1 2.753 0.011 -0.098
5 H41 PTL 1 2HG PTL 1 0.757 0.615 1.088
6 H42 PTL 1 3HG PTL 1 1.399 -0.053 2.587
7 H51 PTL 1 H3 PTL 1 3.169 1.625 2.586
8 H52 PTL 1 H2 PTL 1 1.554 2.374 2.565
9 H53 PTL 1 H4 PTL 1 2.521 2.299 1.072
10 H VAL 2 H VAL 2 2.652 -1.581 -1.788
11 HA VAL 2 HA VAL 2 3.810 -4.073 -2.350
12 HB VAL 2 HB VAL 2 4.219 -1.420 -3.734
13 HG11 VAL 2 1HG1 VAL 2 5.983 -2.580 -4.595
14 HG12 VAL 2 2HG1 VAL 2 5.232 -4.152 -4.315
15 HG13 VAL 2 3HG1 VAL 2 4.711 -3.153 -5.672
16 HG21 VAL 2 3HG2 VAL 2 2.303 -1.781 -4.841
17 HG22 VAL 2 1HG2 VAL 2 2.631 -3.503 -5.034
18 HG23 VAL 2 2HG2 VAL 2 1.930 -2.902 -3.532
19 H ALA 3 H ALA 3 5.064 -1.324 -0.730
20 HA ALA 3 HA ALA 3 7.809 -1.596 -1.270
21 HB1 ALA 3 3HB ALA 3 6.698 0.363 -0.170
22 HB2 ALA 3 1HB ALA 3 6.613 -0.597 1.306
23 HB3 ALA 3 2HB ALA 3 8.182 -0.185 0.612
24 H ARG 4 H ARG 4 5.920 -2.770 1.521
25 HA ARG 4 HA ARG 4 7.961 -4.149 2.803
26 HB2 ARG 4 2HB ARG 4 5.791 -3.721 3.843
27 HB3 ARG 4 3HB ARG 4 5.014 -4.814 2.706
28 HG2 ARG 4 2HG ARG 4 5.410 -5.766 4.977
29 HG3 ARG 4 3HG ARG 4 6.102 -6.704 3.651
30 HD2 ARG 4 2HD ARG 4 8.198 -6.392 4.378
31 HD3 ARG 4 3HD ARG 4 7.918 -4.685 4.723
32 HE ARG 4 HE ARG 4 7.533 -5.230 6.910
33 HH11 ARG 4 1HH1 ARG 4 7.333 -8.113 4.969
34 HH12 ARG 4 2HH1 ARG 4 7.216 -9.178 6.331
35 HH21 ARG 4 2HH2 ARG 4 7.242 -8.329 8.458
36 HH22 ARG 4 1HH2 ARG 4 7.380 -6.622 8.710
37 H GLY 5 H GLY 5 6.239 -4.932 -0.080
38 HA2 GLY 5 2HA GLY 5 7.284 -7.687 -0.017
39 HA3 GLY 5 3HA GLY 5 5.967 -7.126 -1.038
40 H TRP 6 H TRP 6 8.244 -4.757 -1.095
41 HA TRP 6 HA TRP 6 9.565 -5.915 -3.462
42 HB2 TRP 6 2HB TRP 6 8.067 -4.235 -4.252
43 HB3 TRP 6 3HB TRP 6 8.560 -3.107 -2.992
44 HD1 TRP 6 HD1 TRP 6 9.456 -1.190 -4.519
45 HE1 TRP 6 HE1 TRP 6 11.424 -0.986 -6.165
46 HE3 TRP 6 HE3 TRP 6 10.755 -6.123 -4.845
47 HZ2 TRP 6 HZ2 TRP 6 13.282 -2.691 -7.433
48 HZ3 TRP 6 HZ3 TRP 6 12.640 -6.753 -6.297
49 HH2 TRP 6 HH2 TRP 6 13.875 -5.071 -7.564
50 H LYS 7 H LYS 7 10.068 -2.906 -1.643
51 HA LYS 7 HA LYS 7 12.851 -3.761 -1.182
52 HB2 LYS 7 2HB LYS 7 11.692 -1.040 -1.758
53 HB3 LYS 7 3HB LYS 7 13.291 -1.240 -1.052
54 HG2 LYS 7 2HG LYS 7 12.354 -2.220 -3.738
55 HG3 LYS 7 3HG LYS 7 13.524 -0.939 -3.411
56 HD2 LYS 7 2HD LYS 7 14.932 -2.690 -2.257
57 HD3 LYS 7 3HD LYS 7 13.827 -3.896 -2.919
58 HE2 LYS 7 2HE LYS 7 14.416 -2.428 -5.132
59 HE3 LYS 7 3HE LYS 7 15.931 -2.326 -4.236
60 HZ1 LYS 7 3HZ LYS 7 16.349 -4.507 -4.518
61 HZ2 LYS 7 1HZ LYS 7 15.335 -4.331 -5.861
62 HZ3 LYS 7 2HZ LYS 7 14.722 -4.964 -4.418
63 H ARG 8 H ARG 8 11.370 -0.899 0.175
64 HA ARG 8 HA ARG 8 11.470 -2.159 2.837
65 HB2 ARG 8 2HB ARG 8 12.206 0.659 2.035
66 HB3 ARG 8 3HB ARG 8 12.010 0.141 3.703
67 HG2 ARG 8 2HG ARG 8 14.239 -0.149 3.546
68 HG3 ARG 8 3HG ARG 8 13.750 -1.713 2.891
69 HD2 ARG 8 2HD ARG 8 15.024 -1.177 1.133
70 HD3 ARG 8 3HD ARG 8 13.698 -0.109 0.675
71 HE ARG 8 HE ARG 8 15.415 1.236 2.453
72 HH11 ARG 8 1HH1 ARG 8 15.306 0.048 -0.817
73 HH12 ARG 8 2HH1 ARG 8 16.409 1.239 -1.425
74 HH21 ARG 8 2HH2 ARG 8 17.297 2.809 -0.011
75 HH22 ARG 8 1HH2 ARG 8 16.868 2.809 1.666
76 H LYS 9 H LYS 9 10.504 1.058 2.884
77 HA LYS 9 HA LYS 9 7.656 0.306 2.839
78 HB2 LYS 9 2HB LYS 9 7.646 2.349 4.596
79 HB3 LYS 9 3HB LYS 9 7.781 0.662 5.074
80 HG2 LYS 9 2HG LYS 9 9.989 0.845 5.616
81 HG3 LYS 9 3HG LYS 9 10.278 2.153 4.467
82 HD2 LYS 9 2HD LYS 9 10.417 3.106 6.637
83 HD3 LYS 9 3HD LYS 9 8.873 3.622 5.957
84 HE2 LYS 9 2HE LYS 9 8.662 1.110 7.397
85 HE3 LYS 9 3HE LYS 9 9.274 2.413 8.416
86 HZ1 LYS 9 3HZ LYS 9 6.683 2.205 7.032
87 HZ2 LYS 9 1HZ LYS 9 7.317 3.729 7.406
88 HZ3 LYS 9 2HZ LYS 9 7.005 2.616 8.641
89 H CYS 10 H CYS 10 9.692 3.234 2.998
90 HA CYS 10 HA CYS 10 7.812 4.797 1.527
91 HB2 CYS 10 2HB CYS 10 10.401 5.216 2.834
92 HB3 CYS 10 3HB CYS 10 10.195 6.172 1.371
93 HG CYS 10 HG CYS 10 7.418 6.629 2.809
94 HA PRO 11 HA PRO 11 11.018 4.455 -2.061
95 HB2 PRO 11 2HB PRO 11 13.075 2.711 -1.748
96 HB3 PRO 11 3HB PRO 11 13.160 4.400 -1.233
97 HG2 PRO 11 2HG PRO 11 12.608 1.950 0.396
98 HG3 PRO 11 3HG PRO 11 13.642 3.340 0.779
99 HD2 PRO 11 2HD PRO 11 11.146 3.059 1.789
100 HD3 PRO 11 3HD PRO 11 11.860 4.644 1.435
101 H LEU 12 H LEU 12 10.180 3.345 -3.706
102 HA LEU 12 HA LEU 12 9.669 0.465 -3.346
103 HB2 LEU 12 2HB LEU 12 7.656 2.038 -3.417
104 HB3 LEU 12 3HB LEU 12 8.045 2.262 -5.122
105 HG LEU 12 HG LEU 12 7.870 -0.318 -5.255
106 HD11 LEU 12 1HD1 LEU 12 5.823 -0.360 -3.231
107 HD12 LEU 12 2HD1 LEU 12 7.395 0.015 -2.526
108 HD13 LEU 12 3HD1 LEU 12 7.184 -1.455 -3.477
109 HD21 LEU 12 3HD2 LEU 12 5.232 0.967 -4.740
110 HD22 LEU 12 1HD2 LEU 12 5.737 -0.089 -6.060
111 HD23 LEU 12 2HD2 LEU 12 6.253 1.597 -6.034
112 H PHE 13 H PHE 13 8.662 1.275 -6.340
113 HA PHE 13 HA PHE 13 11.100 0.244 -7.555
114 HB2 PHE 13 2HB PHE 13 8.303 0.677 -8.601
115 HB3 PHE 13 3HB PHE 13 9.638 0.181 -9.636
116 HD1 PHE 13 HD1 PHE 13 7.293 -0.839 -7.054
117 HD2 PHE 13 HD2 PHE 13 10.660 -2.024 -9.373
118 HE1 PHE 13 HE1 PHE 13 6.886 -3.187 -6.440
119 HE2 PHE 13 HE2 PHE 13 10.258 -4.373 -8.763
120 HZ PHE 13 HZ PHE 13 8.369 -4.958 -7.295
121 H GLY 14 H GLY 14 8.874 2.452 -9.144
122 HA2 GLY 14 2HA GLY 14 11.107 4.366 -9.444
123 HA3 GLY 14 3HA GLY 14 10.013 3.971 -10.762
124 H LYS 15 H LYS 15 8.247 4.008 -7.962
125 HA LYS 15 HA LYS 15 7.416 6.792 -8.440
126 HB2 LYS 15 2HB LYS 15 5.233 6.042 -7.401
127 HB3 LYS 15 3HB LYS 15 5.606 5.355 -8.976
128 HG2 LYS 15 2HG LYS 15 6.401 3.850 -6.535
129 HG3 LYS 15 3HG LYS 15 4.704 3.861 -7.021
130 HD2 LYS 15 2HD LYS 15 6.616 3.343 -9.194
131 HD3 LYS 15 3HD LYS 15 6.561 2.103 -7.939
132 HE2 LYS 15 2HE LYS 15 3.985 2.292 -8.242
133 HE3 LYS 15 3HE LYS 15 4.399 3.032 -9.788
134 HZ1 LYS 15 3HZ LYS 15 5.162 0.318 -8.858
135 HZ2 LYS 15 1HZ LYS 15 5.729 1.030 -10.285
136 HZ3 LYS 15 2HZ LYS 15 4.080 0.699 -10.101
137 H GLY 16 H GLY 16 5.807 5.695 -5.805
138 HA2 GLY 16 2HA GLY 16 7.787 6.908 -3.979
139 HA3 GLY 16 3HA GLY 16 6.045 7.025 -3.770
140 H GLY 17 H GLY 17 5.148 5.681 -2.354
141 HA2 GLY 17 2HA GLY 17 6.457 3.091 -1.852
142 HA3 GLY 17 3HA GLY 17 6.082 4.152 -0.503
Start of MODEL 12
1 H21 PTL 1 H1 MET 1 1.919 -2.104 1.904
2 H22 PTL 1 HA MET 1 1.018 -1.678 0.462
3 H31 PTL 1 2HB MET 1 2.571 0.137 -0.050
4 H32 PTL 1 3HB MET 1 1.885 0.337 1.556
5 H41 PTL 1 2HG MET 1 4.256 -1.148 1.864
6 H42 PTL 1 3HG MET 1 4.619 0.184 0.770
7 H51 PTL 1 H3 MET 1 3.717 1.771 2.391
8 H52 PTL 1 H2 MET 1 5.039 0.803 3.086
9 H53 PTL 1 H4 MET 1 3.349 0.424 3.494
10 H VAL 2 H VAL 2 2.810 -1.237 -1.461
11 HA VAL 2 HA VAL 2 3.684 -3.846 -2.160
12 HB VAL 2 HB VAL 2 4.272 -1.179 -3.450
13 HG11 VAL 2 1HG1 VAL 2 4.605 -2.927 -5.445
14 HG12 VAL 2 2HG1 VAL 2 5.933 -2.388 -4.413
15 HG13 VAL 2 3HG1 VAL 2 5.141 -3.932 -4.099
16 HG21 VAL 2 3HG2 VAL 2 2.602 -2.868 -5.008
17 HG22 VAL 2 1HG2 VAL 2 1.942 -2.800 -3.374
18 HG23 VAL 2 2HG2 VAL 2 2.215 -1.310 -4.278
19 H ALA 3 H ALA 3 5.162 -1.227 -0.493
20 HA ALA 3 HA ALA 3 7.872 -1.716 -1.058
21 HB1 ALA 3 3HB ALA 3 6.799 -0.665 1.551
22 HB2 ALA 3 1HB ALA 3 8.373 -0.352 0.818
23 HB3 ALA 3 2HB ALA 3 6.911 0.309 0.085
24 H ARG 4 H ARG 4 5.729 -3.007 1.452
25 HA ARG 4 HA ARG 4 7.674 -4.466 2.862
26 HB2 ARG 4 2HB ARG 4 4.696 -4.863 2.571
27 HB3 ARG 4 3HB ARG 4 5.693 -5.827 3.651
28 HG2 ARG 4 2HG ARG 4 5.518 -4.281 5.219
29 HG3 ARG 4 3HG ARG 4 6.248 -3.086 4.145
30 HD2 ARG 4 2HD ARG 4 4.253 -2.180 3.581
31 HD3 ARG 4 3HD ARG 4 3.412 -3.728 3.639
32 HE ARG 4 HE ARG 4 3.539 -1.795 5.706
33 HH11 ARG 4 1HH1 ARG 4 3.536 -5.232 5.152
34 HH12 ARG 4 2HH1 ARG 4 2.848 -5.612 6.696
35 HH21 ARG 4 2HH2 ARG 4 2.334 -3.933 8.168
36 HH22 ARG 4 1HH2 ARG 4 2.634 -2.282 7.742
37 H GLY 5 H GLY 5 6.312 -4.965 -0.215
38 HA2 GLY 5 2HA GLY 5 7.263 -7.763 -0.212
39 HA3 GLY 5 3HA GLY 5 5.920 -7.197 -1.194
40 H TRP 6 H TRP 6 8.207 -4.804 -1.142
41 HA TRP 6 HA TRP 6 9.463 -5.814 -3.610
42 HB2 TRP 6 2HB TRP 6 7.967 -4.066 -4.246
43 HB3 TRP 6 3HB TRP 6 8.510 -3.032 -2.928
44 HD1 TRP 6 HD1 TRP 6 9.406 -1.029 -4.334
45 HE1 TRP 6 HE1 TRP 6 11.330 -0.743 -6.020
46 HE3 TRP 6 HE3 TRP 6 10.596 -5.948 -5.052
47 HZ2 TRP 6 HZ2 TRP 6 13.115 -2.385 -7.462
48 HZ3 TRP 6 HZ3 TRP 6 12.423 -6.506 -6.602
49 HH2 TRP 6 HH2 TRP 6 13.656 -4.760 -7.781
50 H LYS 7 H LYS 7 10.043 -2.945 -1.596
51 HA LYS 7 HA LYS 7 12.825 -3.858 -1.261
52 HB2 LYS 7 2HB LYS 7 11.686 -1.091 -1.614
53 HB3 LYS 7 3HB LYS 7 13.300 -1.359 -0.967
54 HG2 LYS 7 2HG LYS 7 12.281 -2.136 -3.689
55 HG3 LYS 7 3HG LYS 7 13.472 -0.892 -3.305
56 HD2 LYS 7 2HD LYS 7 14.896 -2.726 -2.319
57 HD3 LYS 7 3HD LYS 7 13.760 -3.877 -3.025
58 HE2 LYS 7 2HE LYS 7 14.869 -3.750 -4.944
59 HE3 LYS 7 3HE LYS 7 14.438 -2.045 -5.058
60 HZ1 LYS 7 3HZ LYS 7 16.765 -2.130 -5.177
61 HZ2 LYS 7 1HZ LYS 7 16.889 -3.231 -3.899
62 HZ3 LYS 7 2HZ LYS 7 16.434 -1.631 -3.594
63 H ARG 8 H ARG 8 11.460 -1.070 0.332
64 HA ARG 8 HA ARG 8 11.551 -2.529 2.891
65 HB2 ARG 8 2HB ARG 8 12.428 0.292 2.268
66 HB3 ARG 8 3HB ARG 8 12.198 -0.307 3.905
67 HG2 ARG 8 2HG ARG 8 14.146 -1.398 1.884
68 HG3 ARG 8 3HG ARG 8 14.540 -0.369 3.263
69 HD2 ARG 8 2HD ARG 8 13.399 -3.158 3.349
70 HD3 ARG 8 3HD ARG 8 15.029 -2.669 3.806
71 HE ARG 8 HE ARG 8 13.375 -1.180 5.399
72 HH11 ARG 8 1HH1 ARG 8 13.851 -4.576 4.796
73 HH12 ARG 8 2HH1 ARG 8 13.380 -5.059 6.391
74 HH21 ARG 8 2HH2 ARG 8 12.754 -3.480 7.930
75 HH22 ARG 8 1HH2 ARG 8 12.752 -1.803 7.502
76 H LYS 9 H LYS 9 10.734 0.738 3.126
77 HA LYS 9 HA LYS 9 7.856 0.103 3.137
78 HB2 LYS 9 2HB LYS 9 7.987 2.074 4.974
79 HB3 LYS 9 3HB LYS 9 8.057 0.364 5.379
80 HG2 LYS 9 2HG LYS 9 10.600 1.772 4.762
81 HG3 LYS 9 3HG LYS 9 9.818 2.078 6.315
82 HD2 LYS 9 2HD LYS 9 10.078 -0.751 5.474
83 HD3 LYS 9 3HD LYS 9 11.562 0.086 5.933
84 HE2 LYS 9 2HE LYS 9 11.020 0.065 8.101
85 HE3 LYS 9 3HE LYS 9 9.366 0.584 7.777
86 HZ1 LYS 9 3HZ LYS 9 8.788 -1.467 8.363
87 HZ2 LYS 9 1HZ LYS 9 10.379 -2.041 8.298
88 HZ3 LYS 9 2HZ LYS 9 9.439 -1.992 6.893
89 H CYS 10 H CYS 10 9.931 2.991 3.451
90 HA CYS 10 HA CYS 10 8.098 4.651 2.049
91 HB2 CYS 10 2HB CYS 10 10.644 4.955 3.419
92 HB3 CYS 10 3HB CYS 10 10.579 5.918 1.948
93 HG CYS 10 HG CYS 10 7.851 6.787 2.977
94 HA PRO 11 HA PRO 11 11.271 4.404 -1.578
95 HB2 PRO 11 2HB PRO 11 13.275 2.584 -1.370
96 HB3 PRO 11 3HB PRO 11 13.417 4.242 -0.772
97 HG2 PRO 11 2HG PRO 11 12.800 1.730 0.737
98 HG3 PRO 11 3HG PRO 11 13.879 3.066 1.180
99 HD2 PRO 11 2HD PRO 11 11.382 2.810 2.196
100 HD3 PRO 11 3HD PRO 11 12.141 4.390 1.916
101 H LEU 12 H LEU 12 10.292 3.427 -3.227
102 HA LEU 12 HA LEU 12 9.770 0.533 -3.044
103 HB2 LEU 12 2HB LEU 12 7.765 2.086 -2.902
104 HB3 LEU 12 3HB LEU 12 8.089 2.489 -4.588
105 HG LEU 12 HG LEU 12 7.879 -0.041 -5.015
106 HD11 LEU 12 1HD1 LEU 12 7.609 -0.071 -2.246
107 HD12 LEU 12 2HD1 LEU 12 7.304 -1.403 -3.359
108 HD13 LEU 12 3HD1 LEU 12 5.981 -0.347 -2.866
109 HD21 LEU 12 3HD2 LEU 12 5.292 1.172 -4.156
110 HD22 LEU 12 1HD2 LEU 12 5.676 0.251 -5.611
111 HD23 LEU 12 2HD2 LEU 12 6.215 1.924 -5.458
112 H PHE 13 H PHE 13 8.650 1.618 -5.927
113 HA PHE 13 HA PHE 13 10.999 0.610 -7.325
114 HB2 PHE 13 2HB PHE 13 8.177 1.212 -8.211
115 HB3 PHE 13 3HB PHE 13 9.452 0.761 -9.339
116 HD1 PHE 13 HD1 PHE 13 7.145 -0.398 -6.795
117 HD2 PHE 13 HD2 PHE 13 10.446 -1.485 -9.252
118 HE1 PHE 13 HE1 PHE 13 6.686 -2.775 -6.354
119 HE2 PHE 13 HE2 PHE 13 9.991 -3.863 -8.816
120 HZ PHE 13 HZ PHE 13 8.109 -4.511 -7.366
121 H GLY 14 H GLY 14 9.149 2.622 -9.281
122 HA2 GLY 14 2HA GLY 14 11.060 4.849 -8.937
123 HA3 GLY 14 3HA GLY 14 10.637 4.230 -10.526
124 H LYS 15 H LYS 15 8.169 4.371 -8.118
125 HA LYS 15 HA LYS 15 7.047 6.759 -9.431
126 HB2 LYS 15 2HB LYS 15 4.974 5.227 -8.223
127 HB3 LYS 15 3HB LYS 15 5.215 5.590 -9.927
128 HG2 LYS 15 2HG LYS 15 5.172 3.296 -9.938
129 HG3 LYS 15 3HG LYS 15 6.904 3.616 -9.832
130 HD2 LYS 15 2HD LYS 15 6.345 1.890 -8.257
131 HD3 LYS 15 3HD LYS 15 6.740 3.359 -7.363
132 HE2 LYS 15 2HE LYS 15 4.787 3.180 -6.320
133 HE3 LYS 15 3HE LYS 15 3.987 3.485 -7.861
134 HZ1 LYS 15 3HZ LYS 15 3.845 1.188 -6.355
135 HZ2 LYS 15 1HZ LYS 15 4.829 0.780 -7.669
136 HZ3 LYS 15 2HZ LYS 15 3.278 1.399 -7.935
137 H GLY 16 H GLY 16 5.921 4.946 -6.605
138 HA2 GLY 16 2HA GLY 16 6.399 7.369 -4.981
139 HA3 GLY 16 3HA GLY 16 4.934 6.410 -4.839
140 H GLY 17 H GLY 17 4.881 5.008 -3.215
141 HA2 GLY 17 2HA GLY 17 5.993 3.042 -2.207
142 HA3 GLY 17 3HA GLY 17 7.461 4.007 -2.177
Start of MODEL 13
1 H21 PTL 1 HA2 MET 1 1.353 -0.636 -0.481
2 H22 PTL 1 HA3 MET 1 2.736 0.017 0.445
3 H31 PTL 1 2HB MET 1 0.754 -2.094 1.283
4 H32 PTL 1 3HB MET 1 2.279 -1.847 2.124
5 H41 PTL 1 2HG MET 1 0.675 0.576 1.724
6 H42 PTL 1 3HG MET 1 -0.048 -0.640 2.771
7 H51 PTL 1 2 MET 1 1.261 0.978 4.042
8 H52 PTL 1 3 MET 1 1.949 -0.658 4.159
9 H53 PTL 1 H1 MET 1 2.703 0.550 3.092
10 H VAL 2 H VAL 2 2.673 -1.298 -2.212
11 HA VAL 2 HA VAL 2 3.613 -3.912 -2.170
12 HB VAL 2 HB VAL 2 4.209 -1.653 -4.073
13 HG11 VAL 2 1HG1 VAL 2 5.276 -4.424 -3.992
14 HG12 VAL 2 2HG1 VAL 2 4.829 -3.752 -5.563
15 HG13 VAL 2 3HG1 VAL 2 6.031 -2.936 -4.562
16 HG21 VAL 2 3HG2 VAL 2 1.915 -2.354 -4.107
17 HG22 VAL 2 1HG2 VAL 2 2.706 -2.976 -5.556
18 HG23 VAL 2 2HG2 VAL 2 2.386 -4.052 -4.195
19 H ALA 3 H ALA 3 5.171 -0.999 -1.202
20 HA ALA 3 HA ALA 3 7.852 -1.525 -1.569
21 HB1 ALA 3 3HB ALA 3 7.995 -0.291 0.781
22 HB2 ALA 3 1HB ALA 3 7.559 0.555 -0.704
23 HB3 ALA 3 2HB ALA 3 6.300 0.035 0.417
24 H ARG 4 H ARG 4 5.867 -2.435 1.251
25 HA ARG 4 HA ARG 4 7.823 -3.779 2.690
26 HB2 ARG 4 2HB ARG 4 4.862 -4.372 2.527
27 HB3 ARG 4 3HB ARG 4 5.947 -4.996 3.763
28 HG2 ARG 4 2HG ARG 4 5.904 -3.092 4.929
29 HG3 ARG 4 3HG ARG 4 6.028 -2.090 3.481
30 HD2 ARG 4 2HD ARG 4 3.818 -1.759 3.397
31 HD3 ARG 4 3HD ARG 4 3.468 -3.460 3.704
32 HE ARG 4 HE ARG 4 4.339 -1.985 6.023
33 HH11 ARG 4 1HH1 ARG 4 1.623 -2.968 4.079
34 HH12 ARG 4 2HH1 ARG 4 0.472 -2.781 5.360
35 HH21 ARG 4 2HH2 ARG 4 1.161 -2.079 7.429
36 HH22 ARG 4 1HH2 ARG 4 2.833 -1.735 7.718
37 H GLY 5 H GLY 5 6.196 -4.702 -0.204
38 HA2 GLY 5 2HA GLY 5 7.183 -7.466 0.072
39 HA3 GLY 5 3HA GLY 5 5.892 -6.960 -1.008
40 H TRP 6 H TRP 6 8.209 -4.630 -1.173
41 HA TRP 6 HA TRP 6 9.554 -5.958 -3.435
42 HB2 TRP 6 2HB TRP 6 8.099 -4.323 -4.374
43 HB3 TRP 6 3HB TRP 6 8.564 -3.120 -3.174
44 HD1 TRP 6 HD1 TRP 6 9.419 -1.337 -4.915
45 HE1 TRP 6 HE1 TRP 6 11.470 -1.233 -6.467
46 HE3 TRP 6 HE3 TRP 6 10.924 -6.212 -4.601
47 HZ2 TRP 6 HZ2 TRP 6 13.462 -2.986 -7.431
48 HZ3 TRP 6 HZ3 TRP 6 12.911 -6.919 -5.869
49 HH2 TRP 6 HH2 TRP 6 14.152 -5.337 -7.254
50 H LYS 7 H LYS 7 10.074 -2.826 -1.850
51 HA LYS 7 HA LYS 7 12.861 -3.637 -1.362
52 HB2 LYS 7 2HB LYS 7 11.598 -0.952 -1.875
53 HB3 LYS 7 3HB LYS 7 13.205 -1.097 -1.176
54 HG2 LYS 7 2HG LYS 7 12.305 -2.081 -3.873
55 HG3 LYS 7 3HG LYS 7 13.408 -0.746 -3.534
56 HD2 LYS 7 2HD LYS 7 14.800 -2.569 -2.301
57 HD3 LYS 7 3HD LYS 7 13.859 -3.694 -3.283
58 HE2 LYS 7 2HE LYS 7 14.571 -2.385 -5.298
59 HE3 LYS 7 3HE LYS 7 15.653 -1.473 -4.248
60 HZ1 LYS 7 3HZ LYS 7 16.698 -3.377 -5.441
61 HZ2 LYS 7 1HZ LYS 7 15.748 -4.424 -4.512
62 HZ3 LYS 7 2HZ LYS 7 16.883 -3.421 -3.760
63 H ARG 8 H ARG 8 11.279 -0.867 0.081
64 HA ARG 8 HA ARG 8 11.511 -2.166 2.716
65 HB2 ARG 8 2HB ARG 8 12.037 0.711 1.960
66 HB3 ARG 8 3HB ARG 8 11.939 0.134 3.619
67 HG2 ARG 8 2HG ARG 8 13.926 -0.816 1.565
68 HG3 ARG 8 3HG ARG 8 14.250 0.363 2.837
69 HD2 ARG 8 2HD ARG 8 13.450 -1.471 4.451
70 HD3 ARG 8 3HD ARG 8 13.668 -2.569 3.089
71 HE ARG 8 HE ARG 8 16.017 -1.121 3.329
72 HH11 ARG 8 1HH1 ARG 8 14.164 -3.359 5.247
73 HH12 ARG 8 2HH1 ARG 8 15.545 -3.993 6.078
74 HH21 ARG 8 2HH2 ARG 8 17.638 -3.189 5.606
75 HH22 ARG 8 1HH2 ARG 8 17.843 -1.947 4.416
76 H LYS 9 H LYS 9 10.352 0.971 2.884
77 HA LYS 9 HA LYS 9 7.551 0.063 2.835
78 HB2 LYS 9 2HB LYS 9 7.188 1.688 4.750
79 HB3 LYS 9 3HB LYS 9 8.079 0.222 5.139
80 HG2 LYS 9 2HG LYS 9 10.186 1.618 4.751
81 HG3 LYS 9 3HG LYS 9 9.113 3.018 4.837
82 HD2 LYS 9 2HD LYS 9 9.218 0.902 6.976
83 HD3 LYS 9 3HD LYS 9 10.243 2.338 6.999
84 HE2 LYS 9 2HE LYS 9 8.586 3.499 7.915
85 HE3 LYS 9 3HE LYS 9 7.586 3.185 6.498
86 HZ1 LYS 9 3HZ LYS 9 7.567 0.874 8.039
87 HZ2 LYS 9 1HZ LYS 9 6.289 1.951 7.775
88 HZ3 LYS 9 2HZ LYS 9 7.310 2.161 9.107
89 H CYS 10 H CYS 10 9.631 2.954 2.874
90 HA CYS 10 HA CYS 10 7.590 4.560 1.618
91 HB2 CYS 10 2HB CYS 10 10.151 5.014 2.927
92 HB3 CYS 10 3HB CYS 10 9.976 5.977 1.465
93 HG CYS 10 HG CYS 10 8.594 6.402 4.437
94 HA PRO 11 HA PRO 11 10.696 4.495 -2.068
95 HB2 PRO 11 2HB PRO 11 12.852 2.856 -1.873
96 HB3 PRO 11 3HB PRO 11 12.862 4.528 -1.302
97 HG2 PRO 11 2HG PRO 11 12.491 1.998 0.253
98 HG3 PRO 11 3HG PRO 11 13.460 3.426 0.657
99 HD2 PRO 11 2HD PRO 11 11.013 2.976 1.726
100 HD3 PRO 11 3HD PRO 11 11.630 4.610 1.409
101 H LEU 12 H LEU 12 10.073 3.355 -3.803
102 HA LEU 12 HA LEU 12 9.560 0.473 -3.464
103 HB2 LEU 12 2HB LEU 12 7.535 1.995 -3.659
104 HB3 LEU 12 3HB LEU 12 8.040 2.283 -5.323
105 HG LEU 12 HG LEU 12 7.897 -0.262 -5.605
106 HD11 LEU 12 1HD1 LEU 12 7.266 -1.521 -3.894
107 HD12 LEU 12 2HD1 LEU 12 5.812 -0.550 -3.666
108 HD13 LEU 12 3HD1 LEU 12 7.314 -0.093 -2.862
109 HD21 LEU 12 3HD2 LEU 12 5.739 -0.068 -6.396
110 HD22 LEU 12 1HD2 LEU 12 6.249 1.619 -6.329
111 HD23 LEU 12 2HD2 LEU 12 5.225 0.957 -5.055
112 H PHE 13 H PHE 13 8.747 1.289 -6.523
113 HA PHE 13 HA PHE 13 11.239 0.227 -7.579
114 HB2 PHE 13 2HB PHE 13 8.545 0.767 -8.830
115 HB3 PHE 13 3HB PHE 13 9.938 0.214 -9.755
116 HD1 PHE 13 HD1 PHE 13 7.298 -0.715 -7.463
117 HD2 PHE 13 HD2 PHE 13 10.896 -2.021 -9.326
118 HE1 PHE 13 HE1 PHE 13 6.746 -3.043 -6.890
119 HE2 PHE 13 HE2 PHE 13 10.348 -4.351 -8.756
120 HZ PHE 13 HZ PHE 13 8.271 -4.865 -7.538
121 H GLY 14 H GLY 14 9.179 2.542 -9.249
122 HA2 GLY 14 2HA GLY 14 11.494 4.375 -9.394
123 HA3 GLY 14 3HA GLY 14 10.453 4.051 -10.772
124 H LYS 15 H LYS 15 8.517 4.084 -8.105
125 HA LYS 15 HA LYS 15 7.818 6.907 -8.555
126 HB2 LYS 15 2HB LYS 15 5.573 6.205 -7.598
127 HB3 LYS 15 3HB LYS 15 5.981 5.549 -9.177
128 HG2 LYS 15 2HG LYS 15 6.659 3.950 -6.766
129 HG3 LYS 15 3HG LYS 15 4.972 4.040 -7.277
130 HD2 LYS 15 2HD LYS 15 6.950 3.492 -9.401
131 HD3 LYS 15 3HD LYS 15 6.716 2.213 -8.209
132 HE2 LYS 15 2HE LYS 15 4.682 1.699 -8.997
133 HE3 LYS 15 3HE LYS 15 4.221 3.392 -9.166
134 HZ1 LYS 15 3HZ LYS 15 5.706 3.386 -11.199
135 HZ2 LYS 15 1HZ LYS 15 4.248 2.537 -11.326
136 HZ3 LYS 15 2HZ LYS 15 5.698 1.699 -11.089
137 H GLY 16 H GLY 16 6.077 5.813 -5.995
138 HA2 GLY 16 2HA GLY 16 8.042 6.895 -4.071
139 HA3 GLY 16 3HA GLY 16 6.309 7.167 -3.952
140 H GLY 17 H GLY 17 5.127 5.808 -2.745
141 HA2 GLY 17 2HA GLY 17 4.729 3.410 -2.186
142 HA3 GLY 17 3HA GLY 17 6.451 3.324 -1.844
Start of MODEL 14
1 H21 PTL 1 H1 MET 1 1.978 -0.548 1.041
2 H22 PTL 1 HA MET 1 1.462 -0.196 -0.597
3 H31 PTL 1 2HB MET 1 3.687 0.824 -1.071
4 H32 PTL 1 3HB MET 1 2.769 1.673 0.164
5 H41 PTL 1 2HG MET 1 4.682 -0.404 1.059
6 H42 PTL 1 3HG MET 1 5.337 1.111 0.441
7 H51 PTL 1 H3 MET 1 4.008 2.356 2.065
8 H52 PTL 1 H2 MET 1 5.083 1.180 2.860
9 H53 PTL 1 H4 MET 1 3.347 0.826 2.688
10 H VAL 2 H VAL 2 3.519 -0.749 -2.193
11 HA VAL 2 HA VAL 2 3.719 -3.638 -1.993
12 HB VAL 2 HB VAL 2 4.678 -1.781 -4.176
13 HG11 VAL 2 1HG1 VAL 2 4.849 -4.696 -3.768
14 HG12 VAL 2 2HG1 VAL 2 4.346 -4.167 -5.373
15 HG13 VAL 2 3HG1 VAL 2 5.882 -3.617 -4.704
16 HG21 VAL 2 3HG2 VAL 2 2.502 -3.415 -4.980
17 HG22 VAL 2 1HG2 VAL 2 2.059 -2.627 -3.466
18 HG23 VAL 2 2HG2 VAL 2 2.565 -1.657 -4.850
19 H ALA 3 H ALA 3 5.642 -0.902 -1.299
20 HA ALA 3 HA ALA 3 8.223 -1.936 -1.741
21 HB1 ALA 3 3HB ALA 3 8.568 -0.233 0.360
22 HB2 ALA 3 1HB ALA 3 8.499 0.249 -1.336
23 HB3 ALA 3 2HB ALA 3 7.052 0.346 -0.332
24 H ARG 4 H ARG 4 5.928 -2.369 0.853
25 HA ARG 4 HA ARG 4 7.581 -3.262 2.895
26 HB2 ARG 4 2HB ARG 4 5.656 -4.258 3.865
27 HB3 ARG 4 3HB ARG 4 5.091 -2.834 3.003
28 HG2 ARG 4 2HG ARG 4 4.572 -4.421 1.074
29 HG3 ARG 4 3HG ARG 4 4.784 -5.718 2.252
30 HD2 ARG 4 2HD ARG 4 3.051 -4.722 3.660
31 HD3 ARG 4 3HD ARG 4 2.847 -3.418 2.492
32 HE ARG 4 HE ARG 4 1.605 -4.830 1.183
33 HH11 ARG 4 1HH1 ARG 4 3.320 -6.692 3.573
34 HH12 ARG 4 2HH1 ARG 4 2.497 -8.169 3.201
35 HH21 ARG 4 2HH2 ARG 4 0.902 -8.214 1.558
36 HH22 ARG 4 1HH2 ARG 4 0.515 -6.770 0.685
37 H GLY 5 H GLY 5 6.467 -4.912 0.013
38 HA2 GLY 5 2HA GLY 5 8.046 -7.272 0.842
39 HA3 GLY 5 3HA GLY 5 6.568 -7.394 -0.102
40 H TRP 6 H TRP 6 8.278 -4.696 -1.065
41 HA TRP 6 HA TRP 6 9.411 -6.179 -3.340
42 HB2 TRP 6 2HB TRP 6 7.723 -4.657 -4.092
43 HB3 TRP 6 3HB TRP 6 8.387 -3.346 -3.122
44 HD1 TRP 6 HD1 TRP 6 8.982 -1.669 -5.021
45 HE1 TRP 6 HE1 TRP 6 10.618 -1.714 -7.008
46 HE3 TRP 6 HE3 TRP 6 10.279 -6.613 -4.896
47 HZ2 TRP 6 HZ2 TRP 6 12.242 -3.595 -8.346
48 HZ3 TRP 6 HZ3 TRP 6 11.879 -7.456 -6.564
49 HH2 TRP 6 HH2 TRP 6 12.839 -5.976 -8.253
50 H LYS 7 H LYS 7 10.004 -3.154 -1.538
51 HA LYS 7 HA LYS 7 12.891 -3.711 -1.760
52 HB2 LYS 7 2HB LYS 7 11.339 -1.310 -2.394
53 HB3 LYS 7 3HB LYS 7 12.714 -0.994 -1.343
54 HG2 LYS 7 2HG LYS 7 13.098 -0.792 -3.840
55 HG3 LYS 7 3HG LYS 7 14.252 -1.771 -2.930
56 HD2 LYS 7 2HD LYS 7 13.205 -3.798 -3.667
57 HD3 LYS 7 3HD LYS 7 11.878 -2.900 -4.409
58 HE2 LYS 7 2HE LYS 7 13.717 -3.778 -5.950
59 HE3 LYS 7 3HE LYS 7 13.243 -2.090 -6.131
60 HZ1 LYS 7 3HZ LYS 7 15.217 -1.353 -5.347
61 HZ2 LYS 7 1HZ LYS 7 15.758 -2.841 -5.943
62 HZ3 LYS 7 2HZ LYS 7 15.434 -2.657 -4.292
63 H ARG 8 H ARG 8 11.362 -1.107 0.034
64 HA ARG 8 HA ARG 8 12.184 -2.419 2.542
65 HB2 ARG 8 2HB ARG 8 12.454 0.469 1.716
66 HB3 ARG 8 3HB ARG 8 12.564 -0.051 3.393
67 HG2 ARG 8 2HG ARG 8 14.661 -0.745 3.142
68 HG3 ARG 8 3HG ARG 8 14.282 -1.603 1.647
69 HD2 ARG 8 2HD ARG 8 14.166 0.898 0.729
70 HD3 ARG 8 3HD ARG 8 15.290 1.154 2.063
71 HE ARG 8 HE ARG 8 16.020 -1.080 0.440
72 HH11 ARG 8 1HH1 ARG 8 16.144 2.392 0.670
73 HH12 ARG 8 2HH1 ARG 8 17.561 2.536 -0.316
74 HH21 ARG 8 2HH2 ARG 8 18.551 0.663 -1.186
75 HH22 ARG 8 1HH2 ARG 8 17.886 -0.902 -0.859
76 H LYS 9 H LYS 9 10.800 0.696 2.734
77 HA LYS 9 HA LYS 9 8.190 -0.469 3.458
78 HB2 LYS 9 2HB LYS 9 9.700 1.779 4.798
79 HB3 LYS 9 3HB LYS 9 8.017 1.394 5.138
80 HG2 LYS 9 2HG LYS 9 8.674 -0.083 6.644
81 HG3 LYS 9 3HG LYS 9 9.485 -1.006 5.377
82 HD2 LYS 9 2HD LYS 9 11.335 -0.582 6.589
83 HD3 LYS 9 3HD LYS 9 11.276 0.987 5.781
84 HE2 LYS 9 2HE LYS 9 9.904 1.824 7.699
85 HE3 LYS 9 3HE LYS 9 10.209 0.292 8.514
86 HZ1 LYS 9 3HZ LYS 9 12.620 1.485 7.568
87 HZ2 LYS 9 1HZ LYS 9 12.214 0.975 9.129
88 HZ3 LYS 9 2HZ LYS 9 11.787 2.526 8.609
89 H CYS 10 H CYS 10 9.478 2.829 3.054
90 HA CYS 10 HA CYS 10 7.080 3.696 1.746
91 HB2 CYS 10 2HB CYS 10 9.505 4.924 2.813
92 HB3 CYS 10 3HB CYS 10 8.975 5.669 1.308
93 HG CYS 10 HG CYS 10 6.915 6.937 2.242
94 HA PRO 11 HA PRO 11 9.903 4.092 -2.135
95 HB2 PRO 11 2HB PRO 11 12.452 3.174 -1.953
96 HB3 PRO 11 3HB PRO 11 11.996 4.830 -1.539
97 HG2 PRO 11 2HG PRO 11 12.454 2.485 0.265
98 HG3 PRO 11 3HG PRO 11 12.977 4.168 0.462
99 HD2 PRO 11 2HD PRO 11 10.822 3.152 1.748
100 HD3 PRO 11 3HD PRO 11 10.916 4.849 1.237
101 H LEU 12 H LEU 12 9.346 2.627 -3.611
102 HA LEU 12 HA LEU 12 9.896 -0.214 -3.057
103 HB2 LEU 12 2HB LEU 12 7.775 -0.018 -4.903
104 HB3 LEU 12 3HB LEU 12 7.736 -0.641 -3.254
105 HG LEU 12 HG LEU 12 7.382 1.819 -2.567
106 HD11 LEU 12 1HD1 LEU 12 6.419 3.271 -4.187
107 HD12 LEU 12 2HD1 LEU 12 6.424 2.005 -5.414
108 HD13 LEU 12 3HD1 LEU 12 7.948 2.687 -4.845
109 HD21 LEU 12 3HD2 LEU 12 4.913 1.220 -3.864
110 HD22 LEU 12 1HD2 LEU 12 5.342 1.051 -2.162
111 HD23 LEU 12 2HD2 LEU 12 5.635 -0.281 -3.281
112 H PHE 13 H PHE 13 8.560 1.264 -5.967
113 HA PHE 13 HA PHE 13 10.799 0.142 -7.488
114 HB2 PHE 13 2HB PHE 13 8.201 1.239 -8.571
115 HB3 PHE 13 3HB PHE 13 9.379 0.245 -9.423
116 HD1 PHE 13 HD1 PHE 13 6.924 0.224 -6.652
117 HD2 PHE 13 HD2 PHE 13 9.257 -2.091 -9.357
118 HE1 PHE 13 HE1 PHE 13 5.701 -1.800 -5.970
119 HE2 PHE 13 HE2 PHE 13 8.038 -4.118 -8.680
120 HZ PHE 13 HZ PHE 13 6.257 -3.974 -6.985
121 H GLY 14 H GLY 14 9.173 2.421 -9.293
122 HA2 GLY 14 2HA GLY 14 11.284 4.423 -8.770
123 HA3 GLY 14 3HA GLY 14 10.622 4.096 -10.366
124 H LYS 15 H LYS 15 8.412 4.112 -7.735
125 HA LYS 15 HA LYS 15 7.294 6.636 -8.727
126 HB2 LYS 15 2HB LYS 15 5.983 4.608 -6.912
127 HB3 LYS 15 3HB LYS 15 5.204 5.947 -7.744
128 HG2 LYS 15 2HG LYS 15 4.636 4.354 -9.217
129 HG3 LYS 15 3HG LYS 15 6.259 4.639 -9.847
130 HD2 LYS 15 2HD LYS 15 7.038 2.830 -8.243
131 HD3 LYS 15 3HD LYS 15 5.332 2.445 -8.007
132 HE2 LYS 15 2HE LYS 15 5.618 2.578 -10.758
133 HE3 LYS 15 3HE LYS 15 7.102 1.796 -10.216
134 HZ1 LYS 15 3HZ LYS 15 5.555 0.085 -10.567
135 HZ2 LYS 15 1HZ LYS 15 4.313 0.912 -9.771
136 HZ3 LYS 15 2HZ LYS 15 5.610 0.284 -8.888
137 H GLY 16 H GLY 16 5.869 6.099 -5.852
138 HA2 GLY 16 2HA GLY 16 7.816 7.790 -4.408
139 HA3 GLY 16 3HA GLY 16 6.079 8.029 -4.298
140 H GLY 17 H GLY 17 4.962 5.743 -3.752
141 HA2 GLY 17 2HA GLY 17 5.792 3.701 -2.351
142 HA3 GLY 17 3HA GLY 17 6.194 4.972 -1.205
Start of MODEL 15
1 H21 PTL 1 HA2 MET 1 1.294 -1.677 0.169
2 H22 PTL 1 HA3 MET 1 2.663 -1.073 1.148
3 H31 PTL 1 2HB MET 1 0.666 -2.284 2.321
4 H32 PTL 1 3HB MET 1 1.442 -3.748 1.734
5 H41 PTL 1 2HG MET 1 2.260 -3.483 3.894
6 H42 PTL 1 3HG MET 1 3.553 -2.879 2.860
7 H51 PTL 1 2 MET 1 1.680 -0.792 3.593
8 H52 PTL 1 3 MET 1 2.414 -1.573 5.013
9 H53 PTL 1 H1 MET 1 3.451 -0.851 3.762
10 H VAL 2 H VAL 2 2.611 -1.899 -1.683
11 HA VAL 2 HA VAL 2 3.795 -4.414 -2.060
12 HB VAL 2 HB VAL 2 4.044 -1.899 -3.712
13 HG11 VAL 2 1HG1 VAL 2 4.544 -3.776 -5.500
14 HG12 VAL 2 2HG1 VAL 2 5.832 -3.069 -4.523
15 HG13 VAL 2 3HG1 VAL 2 5.149 -4.635 -4.084
16 HG21 VAL 2 3HG2 VAL 2 1.791 -2.559 -3.710
17 HG22 VAL 2 1HG2 VAL 2 2.457 -3.241 -5.195
18 HG23 VAL 2 2HG2 VAL 2 2.204 -4.273 -3.787
19 H ALA 3 H ALA 3 5.077 -1.460 -0.843
20 HA ALA 3 HA ALA 3 7.801 -1.809 -1.474
21 HB1 ALA 3 3HB ALA 3 7.889 -0.421 0.855
22 HB2 ALA 3 1HB ALA 3 7.576 0.297 -0.726
23 HB3 ALA 3 2HB ALA 3 6.230 -0.116 0.338
24 H ARG 4 H ARG 4 5.942 -2.683 1.432
25 HA ARG 4 HA ARG 4 8.038 -3.770 2.914
26 HB2 ARG 4 2HB ARG 4 5.951 -3.358 3.993
27 HB3 ARG 4 3HB ARG 4 5.090 -4.404 2.872
28 HG2 ARG 4 2HG ARG 4 7.246 -5.638 4.480
29 HG3 ARG 4 3HG ARG 4 5.768 -5.170 5.324
30 HD2 ARG 4 2HD ARG 4 5.019 -6.452 2.911
31 HD3 ARG 4 3HD ARG 4 6.247 -7.451 3.688
32 HE ARG 4 HE ARG 4 4.502 -6.817 5.692
33 HH11 ARG 4 1HH1 ARG 4 4.231 -8.324 2.566
34 HH12 ARG 4 2HH1 ARG 4 2.888 -9.322 3.019
35 HH21 ARG 4 2HH2 ARG 4 2.038 -9.207 5.142
36 HH22 ARG 4 1HH2 ARG 4 2.735 -8.125 6.300
37 H GLY 5 H GLY 5 6.507 -4.944 0.090
38 HA2 GLY 5 2HA GLY 5 7.739 -7.599 0.507
39 HA3 GLY 5 3HA GLY 5 6.289 -7.337 -0.450
40 H TRP 6 H TRP 6 8.421 -4.819 -0.948
41 HA TRP 6 HA TRP 6 9.540 -6.138 -3.336
42 HB2 TRP 6 2HB TRP 6 7.850 -4.547 -4.021
43 HB3 TRP 6 3HB TRP 6 8.573 -3.291 -3.019
44 HD1 TRP 6 HD1 TRP 6 9.224 -1.602 -4.894
45 HE1 TRP 6 HE1 TRP 6 10.863 -1.669 -6.877
46 HE3 TRP 6 HE3 TRP 6 10.343 -6.590 -4.853
47 HZ2 TRP 6 HZ2 TRP 6 12.424 -3.583 -8.243
48 HZ3 TRP 6 HZ3 TRP 6 11.919 -7.459 -6.532
49 HH2 TRP 6 HH2 TRP 6 12.935 -5.985 -8.191
50 H LYS 7 H LYS 7 10.114 -2.956 -1.876
51 HA LYS 7 HA LYS 7 12.971 -3.643 -1.719
52 HB2 LYS 7 2HB LYS 7 11.509 -1.228 -2.526
53 HB3 LYS 7 3HB LYS 7 12.853 -0.917 -1.434
54 HG2 LYS 7 2HG LYS 7 13.416 -0.780 -3.859
55 HG3 LYS 7 3HG LYS 7 14.409 -1.908 -2.933
56 HD2 LYS 7 2HD LYS 7 12.043 -3.190 -4.011
57 HD3 LYS 7 3HD LYS 7 13.021 -2.448 -5.281
58 HE2 LYS 7 2HE LYS 7 14.254 -4.173 -3.157
59 HE3 LYS 7 3HE LYS 7 13.536 -4.874 -4.606
60 HZ1 LYS 7 3HZ LYS 7 15.603 -2.758 -4.733
61 HZ2 LYS 7 1HZ LYS 7 15.084 -3.789 -5.971
62 HZ3 LYS 7 2HZ LYS 7 15.997 -4.403 -4.687
63 H ARG 8 H ARG 8 11.308 -0.972 -0.135
64 HA ARG 8 HA ARG 8 12.026 -2.153 2.468
65 HB2 ARG 8 2HB ARG 8 12.096 0.755 1.640
66 HB3 ARG 8 3HB ARG 8 12.348 0.177 3.282
67 HG2 ARG 8 2HG ARG 8 14.429 -0.625 2.834
68 HG3 ARG 8 3HG ARG 8 14.054 -0.963 1.144
69 HD2 ARG 8 2HD ARG 8 14.867 1.005 0.500
70 HD3 ARG 8 3HD ARG 8 13.881 1.861 1.684
71 HE ARG 8 HE ARG 8 15.939 0.807 3.136
72 HH11 ARG 8 1HH1 ARG 8 15.696 2.881 0.351
73 HH12 ARG 8 2HH1 ARG 8 17.163 3.735 0.697
74 HH21 ARG 8 2HH2 ARG 8 18.401 3.189 2.546
75 HH22 ARG 8 1HH2 ARG 8 17.872 1.923 3.602
76 H LYS 9 H LYS 9 10.586 0.819 2.836
77 HA LYS 9 HA LYS 9 7.900 -0.364 3.092
78 HB2 LYS 9 2HB LYS 9 7.619 1.206 5.072
79 HB3 LYS 9 3HB LYS 9 8.672 -0.180 5.319
80 HG2 LYS 9 2HG LYS 9 10.593 1.394 4.729
81 HG3 LYS 9 3HG LYS 9 9.425 2.697 4.952
82 HD2 LYS 9 2HD LYS 9 9.929 0.590 7.040
83 HD3 LYS 9 3HD LYS 9 10.846 2.096 6.966
84 HE2 LYS 9 2HE LYS 9 8.901 3.399 7.345
85 HE3 LYS 9 3HE LYS 9 7.840 2.015 7.088
86 HZ1 LYS 9 3HZ LYS 9 8.835 1.004 9.098
87 HZ2 LYS 9 1HZ LYS 9 8.001 2.441 9.417
88 HZ3 LYS 9 2HZ LYS 9 9.691 2.438 9.370
89 H CYS 10 H CYS 10 9.667 2.727 2.964
90 HA CYS 10 HA CYS 10 7.336 4.114 1.970
91 HB2 CYS 10 2HB CYS 10 9.870 4.839 3.135
92 HB3 CYS 10 3HB CYS 10 9.613 5.743 1.648
93 HG CYS 10 HG CYS 10 6.821 5.826 3.326
94 HA PRO 11 HA PRO 11 10.058 4.493 -1.989
95 HB2 PRO 11 2HB PRO 11 12.408 3.135 -2.044
96 HB3 PRO 11 3HB PRO 11 12.267 4.785 -1.429
97 HG2 PRO 11 2HG PRO 11 12.361 2.202 0.081
98 HG3 PRO 11 3HG PRO 11 13.181 3.734 0.434
99 HD2 PRO 11 2HD PRO 11 10.923 2.962 1.713
100 HD3 PRO 11 3HD PRO 11 11.300 4.665 1.387
101 H LEU 12 H LEU 12 9.599 3.291 -3.760
102 HA LEU 12 HA LEU 12 9.321 0.379 -3.394
103 HB2 LEU 12 2HB LEU 12 7.187 1.763 -3.603
104 HB3 LEU 12 3HB LEU 12 7.661 2.026 -5.280
105 HG LEU 12 HG LEU 12 7.674 -0.505 -5.517
106 HD11 LEU 12 1HD1 LEU 12 5.732 -0.906 -3.431
107 HD12 LEU 12 2HD1 LEU 12 7.277 -0.386 -2.759
108 HD13 LEU 12 3HD1 LEU 12 7.201 -1.814 -3.790
109 HD21 LEU 12 3HD2 LEU 12 5.494 -0.482 -6.230
110 HD22 LEU 12 1HD2 LEU 12 5.814 1.248 -6.118
111 HD23 LEU 12 2HD2 LEU 12 4.929 0.430 -4.831
112 H PHE 13 H PHE 13 8.430 1.048 -6.451
113 HA PHE 13 HA PHE 13 10.889 0.046 -7.548
114 HB2 PHE 13 2HB PHE 13 8.237 0.830 -8.742
115 HB3 PHE 13 3HB PHE 13 9.607 0.379 -9.751
116 HD1 PHE 13 HD1 PHE 13 7.109 -0.804 -7.362
117 HD2 PHE 13 HD2 PHE 13 10.403 -1.899 -9.827
118 HE1 PHE 13 HE1 PHE 13 6.524 -3.178 -7.086
119 HE2 PHE 13 HE2 PHE 13 9.821 -4.274 -9.556
120 HZ PHE 13 HZ PHE 13 7.879 -4.916 -8.185
121 H GLY 14 H GLY 14 9.166 2.489 -9.324
122 HA2 GLY 14 2HA GLY 14 11.509 4.274 -9.066
123 HA3 GLY 14 3HA GLY 14 10.716 3.976 -10.606
124 H LYS 15 H LYS 15 8.548 4.118 -8.009
125 HA LYS 15 HA LYS 15 7.788 6.852 -8.785
126 HB2 LYS 15 2HB LYS 15 5.551 6.157 -7.726
127 HB3 LYS 15 3HB LYS 15 5.974 5.456 -9.282
128 HG2 LYS 15 2HG LYS 15 6.725 3.977 -6.815
129 HG3 LYS 15 3HG LYS 15 5.033 3.984 -7.318
130 HD2 LYS 15 2HD LYS 15 7.055 3.416 -9.408
131 HD3 LYS 15 3HD LYS 15 6.801 2.171 -8.183
132 HE2 LYS 15 2HE LYS 15 4.730 1.674 -8.933
133 HE3 LYS 15 3HE LYS 15 4.356 3.351 -9.329
134 HZ1 LYS 15 3HZ LYS 15 4.672 2.799 -11.439
135 HZ2 LYS 15 1HZ LYS 15 5.268 1.269 -11.031
136 HZ3 LYS 15 2HZ LYS 15 6.317 2.595 -11.103
137 H GLY 16 H GLY 16 6.125 5.779 -6.084
138 HA2 GLY 16 2HA GLY 16 7.960 7.253 -4.294
139 HA3 GLY 16 3HA GLY 16 6.211 7.406 -4.205
140 H GLY 17 H GLY 17 5.175 5.021 -4.117
141 HA2 GLY 17 2HA GLY 17 5.107 2.947 -3.037
142 HA3 GLY 17 3HA GLY 17 6.706 3.262 -2.379
Start of MODEL 16
1 H21 PTL 1 HA2 MET 1 1.332 -1.753 1.432
2 H22 PTL 1 HA3 MET 1 0.563 -1.569 -0.172
3 H31 PTL 1 2HB MET 1 2.449 -0.009 -0.771
4 H32 PTL 1 3HB MET 1 1.343 0.590 0.459
5 H41 PTL 1 2HG MET 1 2.989 -0.199 2.180
6 H42 PTL 1 3HG MET 1 4.109 -0.511 0.857
7 H51 PTL 1 2 MET 1 4.393 1.721 0.382
8 H52 PTL 1 3 MET 1 2.836 2.176 1.115
9 H53 PTL 1 H1 MET 1 4.213 1.741 2.153
10 H VAL 2 H VAL 2 2.372 -1.682 -1.998
11 HA VAL 2 HA VAL 2 3.319 -4.365 -1.960
12 HB VAL 2 HB VAL 2 2.620 -2.830 -3.979
13 HG11 VAL 2 1HG1 VAL 2 4.429 -1.821 -5.160
14 HG12 VAL 2 2HG1 VAL 2 4.472 -1.209 -3.505
15 HG13 VAL 2 3HG1 VAL 2 5.609 -2.458 -4.014
16 HG21 VAL 2 3HG2 VAL 2 3.247 -4.559 -5.279
17 HG22 VAL 2 1HG2 VAL 2 4.927 -4.483 -4.746
18 HG23 VAL 2 2HG2 VAL 2 3.720 -5.294 -3.747
19 H ALA 3 H ALA 3 4.657 -1.386 -0.952
20 HA ALA 3 HA ALA 3 7.361 -1.636 -1.394
21 HB1 ALA 3 3HB ALA 3 7.665 -0.020 0.206
22 HB2 ALA 3 1HB ALA 3 5.950 0.191 -0.149
23 HB3 ALA 3 2HB ALA 3 6.450 -0.705 1.286
24 H ARG 4 H ARG 4 5.578 -2.852 1.448
25 HA ARG 4 HA ARG 4 7.704 -4.112 2.715
26 HB2 ARG 4 2HB ARG 4 6.110 -5.232 4.035
27 HB3 ARG 4 3HB ARG 4 5.329 -3.725 3.575
28 HG2 ARG 4 2HG ARG 4 4.291 -5.073 1.658
29 HG3 ARG 4 3HG ARG 4 4.797 -6.495 2.572
30 HD2 ARG 4 2HD ARG 4 3.602 -5.306 4.555
31 HD3 ARG 4 3HD ARG 4 2.791 -4.395 3.283
32 HE ARG 4 HE ARG 4 1.522 -6.239 2.852
33 HH11 ARG 4 1HH1 ARG 4 4.385 -7.236 4.561
34 HH12 ARG 4 2HH1 ARG 4 3.876 -8.885 4.716
35 HH21 ARG 4 2HH2 ARG 4 1.860 -9.550 3.855
36 HH22 ARG 4 1HH2 ARG 4 0.841 -8.406 3.050
37 H GLY 5 H GLY 5 5.956 -5.032 -0.117
38 HA2 GLY 5 2HA GLY 5 7.123 -7.733 -0.031
39 HA3 GLY 5 3HA GLY 5 5.782 -7.237 -1.053
40 H TRP 6 H TRP 6 7.995 -4.795 -1.131
41 HA TRP 6 HA TRP 6 9.289 -5.911 -3.533
42 HB2 TRP 6 2HB TRP 6 7.757 -4.185 -4.205
43 HB3 TRP 6 3HB TRP 6 8.367 -3.088 -2.970
44 HD1 TRP 6 HD1 TRP 6 9.272 -1.186 -4.499
45 HE1 TRP 6 HE1 TRP 6 11.130 -1.040 -6.274
46 HE3 TRP 6 HE3 TRP 6 10.289 -6.169 -5.023
47 HZ2 TRP 6 HZ2 TRP 6 12.806 -2.803 -7.706
48 HZ3 TRP 6 HZ3 TRP 6 12.033 -6.855 -6.617
49 HH2 TRP 6 HH2 TRP 6 13.263 -5.206 -7.930
50 H LYS 7 H LYS 7 9.886 -2.909 -1.748
51 HA LYS 7 HA LYS 7 12.633 -3.853 -1.247
52 HB2 LYS 7 2HB LYS 7 11.614 -1.100 -1.942
53 HB3 LYS 7 3HB LYS 7 13.217 -1.376 -1.273
54 HG2 LYS 7 2HG LYS 7 12.136 -2.406 -3.886
55 HG3 LYS 7 3HG LYS 7 13.390 -1.186 -3.651
56 HD2 LYS 7 2HD LYS 7 14.726 -2.969 -2.459
57 HD3 LYS 7 3HD LYS 7 13.533 -4.132 -3.042
58 HE2 LYS 7 2HE LYS 7 14.376 -4.119 -5.117
59 HE3 LYS 7 3HE LYS 7 14.549 -2.364 -5.130
60 HZ1 LYS 7 3HZ LYS 7 16.426 -4.284 -3.859
61 HZ2 LYS 7 1HZ LYS 7 16.589 -2.600 -3.846
62 HZ3 LYS 7 2HZ LYS 7 16.692 -3.448 -5.306
63 H ARG 8 H ARG 8 11.321 -0.846 -0.057
64 HA ARG 8 HA ARG 8 11.309 -1.968 2.667
65 HB2 ARG 8 2HB ARG 8 12.215 0.771 1.765
66 HB3 ARG 8 3HB ARG 8 12.039 0.285 3.446
67 HG2 ARG 8 2HG ARG 8 13.827 -1.221 3.318
68 HG3 ARG 8 3HG ARG 8 13.821 -1.207 1.553
69 HD2 ARG 8 2HD ARG 8 15.392 0.363 1.627
70 HD3 ARG 8 3HD ARG 8 14.194 1.455 2.322
71 HE ARG 8 HE ARG 8 15.321 -0.173 4.338
72 HH11 ARG 8 1HH1 ARG 8 16.062 2.534 2.278
73 HH12 ARG 8 2HH1 ARG 8 17.207 3.225 3.380
74 HH21 ARG 8 2HH2 ARG 8 17.642 2.196 5.380
75 HH22 ARG 8 1HH2 ARG 8 16.827 0.727 5.796
76 H LYS 9 H LYS 9 10.584 1.280 2.661
77 HA LYS 9 HA LYS 9 7.687 0.753 2.545
78 HB2 LYS 9 2HB LYS 9 9.186 2.531 4.476
79 HB3 LYS 9 3HB LYS 9 7.434 2.462 4.343
80 HG2 LYS 9 2HG LYS 9 7.382 0.765 5.755
81 HG3 LYS 9 3HG LYS 9 8.399 -0.188 4.671
82 HD2 LYS 9 2HD LYS 9 10.395 0.690 5.691
83 HD3 LYS 9 3HD LYS 9 9.448 1.806 6.677
84 HE2 LYS 9 2HE LYS 9 8.882 0.209 8.166
85 HE3 LYS 9 3HE LYS 9 8.715 -1.033 6.927
86 HZ1 LYS 9 3HZ LYS 9 11.408 -0.410 7.052
87 HZ2 LYS 9 1HZ LYS 9 10.657 -1.827 7.589
88 HZ3 LYS 9 2HZ LYS 9 10.892 -0.538 8.659
89 H CYS 10 H CYS 10 10.215 3.227 2.268
90 HA CYS 10 HA CYS 10 8.387 4.930 0.749
91 HB2 CYS 10 2HB CYS 10 10.710 5.382 2.436
92 HB3 CYS 10 3HB CYS 10 10.859 6.211 0.891
93 HG CYS 10 HG CYS 10 8.569 7.718 1.156
94 HA PRO 11 HA PRO 11 12.003 4.488 -2.392
95 HB2 PRO 11 2HB PRO 11 14.096 2.898 -1.717
96 HB3 PRO 11 3HB PRO 11 14.028 4.617 -1.313
97 HG2 PRO 11 2HG PRO 11 13.412 2.243 0.403
98 HG3 PRO 11 3HG PRO 11 14.314 3.714 0.810
99 HD2 PRO 11 2HD PRO 11 11.731 3.342 1.533
100 HD3 PRO 11 3HD PRO 11 12.397 4.945 1.158
101 H LEU 12 H LEU 12 10.064 3.201 -3.058
102 HA LEU 12 HA LEU 12 10.352 0.316 -2.974
103 HB2 LEU 12 2HB LEU 12 8.265 2.208 -3.978
104 HB3 LEU 12 3HB LEU 12 8.247 0.521 -4.486
105 HG LEU 12 HG LEU 12 8.244 -0.021 -1.970
106 HD11 LEU 12 1HD1 LEU 12 8.711 1.953 -0.878
107 HD12 LEU 12 2HD1 LEU 12 6.952 1.890 -0.769
108 HD13 LEU 12 3HD1 LEU 12 7.724 2.920 -1.974
109 HD21 LEU 12 3HD2 LEU 12 6.071 0.876 -3.736
110 HD22 LEU 12 1HD2 LEU 12 5.673 0.824 -2.019
111 HD23 LEU 12 2HD2 LEU 12 6.257 -0.628 -2.832
112 H PHE 13 H PHE 13 9.013 1.648 -5.842
113 HA PHE 13 HA PHE 13 11.163 0.433 -7.401
114 HB2 PHE 13 2HB PHE 13 8.401 1.392 -8.170
115 HB3 PHE 13 3HB PHE 13 9.572 0.755 -9.322
116 HD1 PHE 13 HD1 PHE 13 7.272 -0.052 -6.611
117 HD2 PHE 13 HD2 PHE 13 10.150 -1.600 -9.339
118 HE1 PHE 13 HE1 PHE 13 6.489 -2.336 -6.135
119 HE2 PHE 13 HE2 PHE 13 9.371 -3.886 -8.867
120 HZ PHE 13 HZ PHE 13 7.538 -4.257 -7.265
121 H GLY 14 H GLY 14 9.287 2.856 -8.941
122 HA2 GLY 14 2HA GLY 14 11.592 4.704 -8.838
123 HA3 GLY 14 3HA GLY 14 10.698 4.388 -10.318
124 H LYS 15 H LYS 15 8.559 4.395 -7.777
125 HA LYS 15 HA LYS 15 7.823 7.190 -8.334
126 HB2 LYS 15 2HB LYS 15 5.545 6.473 -7.511
127 HB3 LYS 15 3HB LYS 15 6.069 5.739 -9.021
128 HG2 LYS 15 2HG LYS 15 6.624 4.286 -6.492
129 HG3 LYS 15 3HG LYS 15 4.967 4.318 -7.097
130 HD2 LYS 15 2HD LYS 15 7.093 3.684 -9.058
131 HD3 LYS 15 3HD LYS 15 6.756 2.463 -7.828
132 HE2 LYS 15 2HE LYS 15 4.300 2.759 -8.466
133 HE3 LYS 15 3HE LYS 15 4.894 3.617 -9.886
134 HZ1 LYS 15 3HZ LYS 15 6.185 1.084 -9.434
135 HZ2 LYS 15 1HZ LYS 15 5.521 1.723 -10.853
136 HZ3 LYS 15 2HZ LYS 15 4.524 0.950 -9.727
137 H GLY 16 H GLY 16 5.942 6.200 -5.864
138 HA2 GLY 16 2HA GLY 16 7.818 7.248 -3.834
139 HA3 GLY 16 3HA GLY 16 6.112 7.668 -3.868
140 H GLY 17 H GLY 17 5.052 5.107 -4.403
141 HA2 GLY 17 2HA GLY 17 4.247 3.323 -3.200
142 HA3 GLY 17 3HA GLY 17 5.940 3.007 -2.852
Start of MODEL 17
1 H21 PTL 1 H1 MET 1 2.005 0.194 0.581
2 H22 PTL 1 HA MET 1 1.753 0.497 -1.127
3 H31 PTL 1 2HB MET 1 4.462 0.844 0.146
4 H32 PTL 1 3HB MET 1 3.921 1.425 -1.423
5 H41 PTL 1 2HG MET 1 3.645 3.373 -0.378
6 H42 PTL 1 3HG MET 1 2.159 2.652 0.235
7 H51 PTL 1 H3 MET 1 3.331 1.929 2.249
8 H52 PTL 1 H2 MET 1 3.439 3.691 2.025
9 H53 PTL 1 H4 MET 1 4.833 2.657 1.629
10 H VAL 2 H VAL 2 3.768 -0.456 -2.477
11 HA VAL 2 HA VAL 2 3.626 -3.317 -2.015
12 HB VAL 2 HB VAL 2 4.851 -1.740 -4.283
13 HG11 VAL 2 1HG1 VAL 2 4.928 -4.599 -3.593
14 HG12 VAL 2 2HG1 VAL 2 4.492 -4.234 -5.263
15 HG13 VAL 2 3HG1 VAL 2 6.016 -3.642 -4.599
16 HG21 VAL 2 3HG2 VAL 2 2.290 -1.814 -3.894
17 HG22 VAL 2 1HG2 VAL 2 2.923 -2.149 -5.505
18 HG23 VAL 2 2HG2 VAL 2 2.420 -3.478 -4.462
19 H ALA 3 H ALA 3 5.843 -0.740 -1.525
20 HA ALA 3 HA ALA 3 8.317 -1.954 -1.711
21 HB1 ALA 3 3HB ALA 3 8.596 0.240 -1.241
22 HB2 ALA 3 1HB ALA 3 7.208 0.298 -0.154
23 HB3 ALA 3 2HB ALA 3 8.740 -0.368 0.408
24 H ARG 4 H ARG 4 5.901 -2.219 0.827
25 HA ARG 4 HA ARG 4 7.347 -3.329 2.884
26 HB2 ARG 4 2HB ARG 4 4.980 -2.780 3.085
27 HB3 ARG 4 3HB ARG 4 4.565 -4.070 1.965
28 HG2 ARG 4 2HG ARG 4 4.156 -4.632 4.341
29 HG3 ARG 4 3HG ARG 4 5.265 -5.740 3.531
30 HD2 ARG 4 2HD ARG 4 6.926 -5.244 4.934
31 HD3 ARG 4 3HD ARG 4 6.658 -3.511 4.749
32 HE ARG 4 HE ARG 4 5.776 -5.162 6.902
33 HH11 ARG 4 1HH1 ARG 4 4.991 -2.334 5.030
34 HH12 ARG 4 2HH1 ARG 4 4.065 -1.595 6.293
35 HH21 ARG 4 2HH2 ARG 4 3.820 -2.655 8.309
36 HH22 ARG 4 1HH2 ARG 4 4.559 -4.200 8.574
37 H GLY 5 H GLY 5 6.309 -4.821 -0.113
38 HA2 GLY 5 2HA GLY 5 7.707 -7.291 0.717
39 HA3 GLY 5 3HA GLY 5 6.277 -7.300 -0.304
40 H TRP 6 H TRP 6 8.393 -4.722 -0.939
41 HA TRP 6 HA TRP 6 9.545 -6.194 -3.218
42 HB2 TRP 6 2HB TRP 6 7.978 -4.680 -4.149
43 HB3 TRP 6 3HB TRP 6 8.469 -3.383 -3.064
44 HD1 TRP 6 HD1 TRP 6 9.134 -1.660 -4.930
45 HE1 TRP 6 HE1 TRP 6 11.041 -1.565 -6.655
46 HE3 TRP 6 HE3 TRP 6 10.821 -6.470 -4.539
47 HZ2 TRP 6 HZ2 TRP 6 13.001 -3.300 -7.711
48 HZ3 TRP 6 HZ3 TRP 6 12.716 -7.172 -5.942
49 HH2 TRP 6 HH2 TRP 6 13.782 -5.620 -7.495
50 H LYS 7 H LYS 7 10.133 -2.937 -1.938
51 HA LYS 7 HA LYS 7 12.995 -3.526 -1.893
52 HB2 LYS 7 2HB LYS 7 11.348 -1.042 -2.007
53 HB3 LYS 7 3HB LYS 7 12.951 -0.938 -1.291
54 HG2 LYS 7 2HG LYS 7 12.250 -1.794 -4.087
55 HG3 LYS 7 3HG LYS 7 13.132 -0.349 -3.588
56 HD2 LYS 7 2HD LYS 7 14.819 -1.994 -2.551
57 HD3 LYS 7 3HD LYS 7 14.032 -3.212 -3.558
58 HE2 LYS 7 2HE LYS 7 14.422 -1.287 -5.389
59 HE3 LYS 7 3HE LYS 7 15.780 -0.952 -4.315
60 HZ1 LYS 7 3HZ LYS 7 15.787 -3.673 -4.638
61 HZ2 LYS 7 1HZ LYS 7 16.838 -2.570 -5.375
62 HZ3 LYS 7 2HZ LYS 7 15.441 -3.076 -6.182
63 H ARG 8 H ARG 8 11.526 -1.126 0.173
64 HA ARG 8 HA ARG 8 12.299 -2.722 2.526
65 HB2 ARG 8 2HB ARG 8 12.527 -0.188 3.449
66 HB3 ARG 8 3HB ARG 8 13.869 -1.117 2.794
67 HG2 ARG 8 2HG ARG 8 13.446 -0.091 0.582
68 HG3 ARG 8 3HG ARG 8 12.196 0.908 1.325
69 HD2 ARG 8 2HD ARG 8 15.021 0.864 2.346
70 HD3 ARG 8 3HD ARG 8 14.515 1.938 1.042
71 HE ARG 8 HE ARG 8 13.263 3.171 2.563
72 HH11 ARG 8 1HH1 ARG 8 14.662 0.363 4.073
73 HH12 ARG 8 2HH1 ARG 8 14.343 0.910 5.686
74 HH21 ARG 8 2HH2 ARG 8 13.305 2.923 6.031
75 HH22 ARG 8 1HH2 ARG 8 12.838 3.902 4.682
76 H LYS 9 H LYS 9 10.910 0.466 2.702
77 HA LYS 9 HA LYS 9 8.309 -0.686 3.447
78 HB2 LYS 9 2HB LYS 9 9.695 1.545 4.943
79 HB3 LYS 9 3HB LYS 9 8.141 0.825 5.340
80 HG2 LYS 9 2HG LYS 9 10.792 -0.604 5.398
81 HG3 LYS 9 3HG LYS 9 9.932 0.030 6.804
82 HD2 LYS 9 2HD LYS 9 8.165 -1.518 6.542
83 HD3 LYS 9 3HD LYS 9 8.699 -1.965 4.919
84 HE2 LYS 9 2HE LYS 9 10.507 -2.395 7.260
85 HE3 LYS 9 3HE LYS 9 9.202 -3.536 6.937
86 HZ1 LYS 9 3HZ LYS 9 11.702 -3.223 5.597
87 HZ2 LYS 9 1HZ LYS 9 10.405 -3.167 4.513
88 HZ3 LYS 9 2HZ LYS 9 10.599 -4.503 5.530
89 H CYS 10 H CYS 10 9.690 2.595 3.328
90 HA CYS 10 HA CYS 10 7.345 3.682 2.139
91 HB2 CYS 10 2HB CYS 10 9.915 4.675 3.116
92 HB3 CYS 10 3HB CYS 10 9.343 5.542 1.696
93 HG CYS 10 HG CYS 10 7.358 5.085 4.437
94 HA PRO 11 HA PRO 11 9.919 4.143 -1.886
95 HB2 PRO 11 2HB PRO 11 12.479 3.239 -1.893
96 HB3 PRO 11 3HB PRO 11 12.041 4.877 -1.398
97 HG2 PRO 11 2HG PRO 11 12.623 2.478 0.295
98 HG3 PRO 11 3HG PRO 11 13.149 4.157 0.516
99 HD2 PRO 11 2HD PRO 11 11.083 3.082 1.898
100 HD3 PRO 11 3HD PRO 11 11.136 4.797 1.440
101 H LEU 12 H LEU 12 9.428 2.737 -3.452
102 HA LEU 12 HA LEU 12 9.884 -0.131 -2.949
103 HB2 LEU 12 2HB LEU 12 7.887 -0.243 -4.695
104 HB3 LEU 12 3HB LEU 12 7.623 -0.141 -2.954
105 HG LEU 12 HG LEU 12 7.716 2.377 -4.550
106 HD11 LEU 12 1HD1 LEU 12 5.080 1.899 -4.547
107 HD12 LEU 12 2HD1 LEU 12 5.676 0.255 -4.771
108 HD13 LEU 12 3HD1 LEU 12 6.131 1.520 -5.912
109 HD21 LEU 12 3HD2 LEU 12 7.226 3.149 -2.524
110 HD22 LEU 12 1HD2 LEU 12 6.971 1.521 -1.897
111 HD23 LEU 12 2HD2 LEU 12 5.647 2.377 -2.686
112 H PHE 13 H PHE 13 8.635 1.274 -5.903
113 HA PHE 13 HA PHE 13 10.979 0.237 -7.323
114 HB2 PHE 13 2HB PHE 13 8.315 1.127 -8.446
115 HB3 PHE 13 3HB PHE 13 9.601 0.312 -9.330
116 HD1 PHE 13 HD1 PHE 13 7.083 -0.093 -6.664
117 HD2 PHE 13 HD2 PHE 13 9.825 -2.037 -9.275
118 HE1 PHE 13 HE1 PHE 13 6.098 -2.269 -6.073
119 HE2 PHE 13 HE2 PHE 13 8.845 -4.215 -8.688
120 HZ PHE 13 HZ PHE 13 6.979 -4.334 -7.086
121 H GLY 14 H GLY 14 9.351 2.353 -9.283
122 HA2 GLY 14 2HA GLY 14 11.192 4.565 -8.610
123 HA3 GLY 14 3HA GLY 14 10.905 4.055 -10.267
124 H LYS 15 H LYS 15 8.492 4.372 -7.712
125 HA LYS 15 HA LYS 15 7.275 6.576 -9.245
126 HB2 LYS 15 2HB LYS 15 5.107 5.620 -8.091
127 HB3 LYS 15 3HB LYS 15 5.716 4.920 -9.585
128 HG2 LYS 15 2HG LYS 15 6.818 3.726 -7.147
129 HG3 LYS 15 3HG LYS 15 5.078 3.515 -7.353
130 HD2 LYS 15 2HD LYS 15 7.146 2.853 -9.448
131 HD3 LYS 15 3HD LYS 15 6.428 1.679 -8.344
132 HE2 LYS 15 2HE LYS 15 4.198 2.806 -9.340
133 HE3 LYS 15 3HE LYS 15 5.280 3.013 -10.716
134 HZ1 LYS 15 3HZ LYS 15 4.084 0.929 -10.860
135 HZ2 LYS 15 1HZ LYS 15 4.680 0.444 -9.352
136 HZ3 LYS 15 2HZ LYS 15 5.738 0.635 -10.658
137 H GLY 16 H GLY 16 5.795 5.487 -6.334
138 HA2 GLY 16 2HA GLY 16 6.906 7.825 -4.907
139 HA3 GLY 16 3HA GLY 16 5.206 7.387 -4.823
140 H GLY 17 H GLY 17 4.600 6.259 -3.101
141 HA2 GLY 17 2HA GLY 17 5.123 4.095 -1.891
142 HA3 GLY 17 3HA GLY 17 6.697 4.819 -1.600
Start of MODEL 18
1 H21 PTL 1 H1 MET 1 1.735 -0.984 1.520
2 H22 PTL 1 HA MET 1 1.115 -0.781 -0.107
3 H31 PTL 1 2HB MET 1 3.457 0.609 1.159
4 H32 PTL 1 3HB MET 1 3.321 0.494 -0.591
5 H41 PTL 1 2HG MET 1 2.228 2.433 -0.392
6 H42 PTL 1 3HG MET 1 0.861 1.405 0.032
7 H51 PTL 1 H3 MET 1 1.379 1.684 2.400
8 H52 PTL 1 H2 MET 1 1.100 3.249 1.601
9 H53 PTL 1 H4 MET 1 2.758 2.721 1.970
10 H VAL 2 H VAL 2 2.843 -1.214 -1.883
11 HA VAL 2 HA VAL 2 3.665 -3.938 -1.578
12 HB VAL 2 HB VAL 2 3.983 -1.947 -3.815
13 HG11 VAL 2 1HG1 VAL 2 4.643 -4.165 -5.071
14 HG12 VAL 2 2HG1 VAL 2 5.859 -3.188 -4.246
15 HG13 VAL 2 3HG1 VAL 2 5.214 -4.635 -3.470
16 HG21 VAL 2 3HG2 VAL 2 2.148 -4.190 -3.173
17 HG22 VAL 2 1HG2 VAL 2 1.818 -2.639 -3.947
18 HG23 VAL 2 2HG2 VAL 2 2.576 -3.939 -4.866
19 H ALA 3 H ALA 3 5.186 -0.865 -1.196
20 HA ALA 3 HA ALA 3 7.853 -1.430 -1.689
21 HB1 ALA 3 3HB ALA 3 8.125 0.247 0.365
22 HB2 ALA 3 1HB ALA 3 7.600 0.776 -1.233
23 HB3 ALA 3 2HB ALA 3 6.410 0.493 0.039
24 H ARG 4 H ARG 4 5.956 -2.017 1.248
25 HA ARG 4 HA ARG 4 8.079 -2.953 2.843
26 HB2 ARG 4 2HB ARG 4 5.130 -3.611 2.979
27 HB3 ARG 4 3HB ARG 4 6.304 -3.967 4.240
28 HG2 ARG 4 2HG ARG 4 5.766 -2.002 5.119
29 HG3 ARG 4 3HG ARG 4 6.648 -1.268 3.778
30 HD2 ARG 4 2HD ARG 4 4.727 -0.266 3.248
31 HD3 ARG 4 3HD ARG 4 4.191 -1.846 2.676
32 HE ARG 4 HE ARG 4 2.765 -1.961 4.458
33 HH11 ARG 4 1HH1 ARG 4 5.151 0.497 5.076
34 HH12 ARG 4 2HH1 ARG 4 4.380 1.067 6.519
35 HH21 ARG 4 2HH2 ARG 4 2.440 0.088 7.247
36 HH22 ARG 4 1HH2 ARG 4 1.740 -1.221 6.356
37 H GLY 5 H GLY 5 6.506 -4.349 0.172
38 HA2 GLY 5 2HA GLY 5 7.621 -6.994 0.879
39 HA3 GLY 5 3HA GLY 5 6.133 -6.798 -0.035
40 H TRP 6 H TRP 6 8.441 -4.477 -0.853
41 HA TRP 6 HA TRP 6 9.292 -6.078 -3.179
42 HB2 TRP 6 2HB TRP 6 7.784 -4.436 -4.007
43 HB3 TRP 6 3HB TRP 6 8.502 -3.171 -3.014
44 HD1 TRP 6 HD1 TRP 6 9.139 -1.583 -5.014
45 HE1 TRP 6 HE1 TRP 6 10.891 -1.729 -6.894
46 HE3 TRP 6 HE3 TRP 6 10.420 -6.511 -4.551
47 HZ2 TRP 6 HZ2 TRP 6 12.590 -3.675 -8.030
48 HZ3 TRP 6 HZ3 TRP 6 12.116 -7.437 -6.073
49 HH2 TRP 6 HH2 TRP 6 13.177 -6.047 -7.777
50 H LYS 7 H LYS 7 10.266 -2.847 -2.108
51 HA LYS 7 HA LYS 7 13.048 -3.777 -2.074
52 HB2 LYS 7 2HB LYS 7 11.776 -1.081 -2.451
53 HB3 LYS 7 3HB LYS 7 13.472 -1.220 -2.006
54 HG2 LYS 7 2HG LYS 7 12.156 -2.308 -4.485
55 HG3 LYS 7 3HG LYS 7 13.298 -0.966 -4.382
56 HD2 LYS 7 2HD LYS 7 14.937 -2.645 -3.396
57 HD3 LYS 7 3HD LYS 7 13.811 -3.895 -3.929
58 HE2 LYS 7 2HE LYS 7 14.356 -3.634 -6.100
59 HE3 LYS 7 3HE LYS 7 14.502 -1.884 -5.959
60 HZ1 LYS 7 3HZ LYS 7 16.595 -2.939 -4.505
61 HZ2 LYS 7 1HZ LYS 7 16.684 -2.167 -6.008
62 HZ3 LYS 7 2HZ LYS 7 16.540 -3.850 -5.930
63 H ARG 8 H ARG 8 11.780 -0.951 -0.410
64 HA ARG 8 HA ARG 8 12.867 -2.025 2.098
65 HB2 ARG 8 2HB ARG 8 12.222 0.812 1.276
66 HB3 ARG 8 3HB ARG 8 12.809 0.345 2.867
67 HG2 ARG 8 2HG ARG 8 14.908 -0.301 2.013
68 HG3 ARG 8 3HG ARG 8 14.328 -0.252 0.347
69 HD2 ARG 8 2HD ARG 8 14.630 1.968 0.179
70 HD3 ARG 8 3HD ARG 8 14.032 2.269 1.810
71 HE ARG 8 HE ARG 8 16.494 1.112 2.150
72 HH11 ARG 8 1HH1 ARG 8 15.262 3.929 0.517
73 HH12 ARG 8 2HH1 ARG 8 16.718 4.845 0.723
74 HH21 ARG 8 2HH2 ARG 8 18.511 3.922 1.809
75 HH22 ARG 8 1HH2 ARG 8 18.416 2.308 2.428
76 H LYS 9 H LYS 9 10.901 0.604 2.659
77 HA LYS 9 HA LYS 9 8.588 -1.098 3.319
78 HB2 LYS 9 2HB LYS 9 9.669 1.171 5.000
79 HB3 LYS 9 3HB LYS 9 8.271 0.173 5.378
80 HG2 LYS 9 2HG LYS 9 9.726 -0.993 6.613
81 HG3 LYS 9 3HG LYS 9 10.187 -1.719 5.072
82 HD2 LYS 9 2HD LYS 9 11.736 0.478 5.025
83 HD3 LYS 9 3HD LYS 9 11.630 0.225 6.769
84 HE2 LYS 9 2HE LYS 9 12.091 -2.286 5.494
85 HE3 LYS 9 3HE LYS 9 13.267 -1.118 4.892
86 HZ1 LYS 9 3HZ LYS 9 14.051 -2.275 6.876
87 HZ2 LYS 9 1HZ LYS 9 12.735 -1.682 7.759
88 HZ3 LYS 9 2HZ LYS 9 13.898 -0.613 7.154
89 H CYS 10 H CYS 10 9.675 2.255 2.841
90 HA CYS 10 HA CYS 10 6.961 3.054 2.137
91 HB2 CYS 10 2HB CYS 10 9.055 5.073 1.832
92 HB3 CYS 10 3HB CYS 10 7.562 5.132 2.763
93 HG CYS 10 HG CYS 10 9.016 5.363 4.892
94 HA PRO 11 HA PRO 11 9.330 4.131 -1.933
95 HB2 PRO 11 2HB PRO 11 11.880 3.229 -2.164
96 HB3 PRO 11 3HB PRO 11 11.478 4.805 -1.472
97 HG2 PRO 11 2HG PRO 11 12.125 2.234 -0.082
98 HG3 PRO 11 3HG PRO 11 12.672 3.877 0.295
99 HD2 PRO 11 2HD PRO 11 10.668 2.663 1.651
100 HD3 PRO 11 3HD PRO 11 10.711 4.417 1.380
101 H LEU 12 H LEU 12 9.121 2.929 -3.773
102 HA LEU 12 HA LEU 12 9.150 0.002 -3.439
103 HB2 LEU 12 2HB LEU 12 7.488 1.759 -5.232
104 HB3 LEU 12 3HB LEU 12 7.549 0.003 -5.371
105 HG LEU 12 HG LEU 12 6.772 0.016 -2.903
106 HD11 LEU 12 1HD1 LEU 12 7.086 2.357 -2.439
107 HD12 LEU 12 2HD1 LEU 12 5.366 1.974 -2.355
108 HD13 LEU 12 3HD1 LEU 12 6.016 2.802 -3.769
109 HD21 LEU 12 3HD2 LEU 12 4.443 0.087 -3.611
110 HD22 LEU 12 1HD2 LEU 12 5.431 -0.767 -4.795
111 HD23 LEU 12 2HD2 LEU 12 4.910 0.888 -5.111
112 H PHE 13 H PHE 13 8.638 1.016 -6.605
113 HA PHE 13 HA PHE 13 11.262 0.049 -7.391
114 HB2 PHE 13 2HB PHE 13 8.840 0.827 -9.027
115 HB3 PHE 13 3HB PHE 13 10.332 0.181 -9.700
116 HD1 PHE 13 HD1 PHE 13 7.561 -0.609 -7.367
117 HD2 PHE 13 HD2 PHE 13 10.676 -2.119 -9.844
118 HE1 PHE 13 HE1 PHE 13 6.718 -2.896 -7.028
119 HE2 PHE 13 HE2 PHE 13 9.838 -4.407 -9.510
120 HZ PHE 13 HZ PHE 13 7.856 -4.798 -8.101
121 H GLY 14 H GLY 14 9.506 2.526 -9.153
122 HA2 GLY 14 2HA GLY 14 11.759 4.379 -8.668
123 HA3 GLY 14 3HA GLY 14 11.070 4.144 -10.269
124 H LYS 15 H LYS 15 8.669 3.988 -7.941
125 HA LYS 15 HA LYS 15 7.780 6.686 -8.635
126 HB2 LYS 15 2HB LYS 15 6.196 4.593 -7.152
127 HB3 LYS 15 3HB LYS 15 5.588 5.998 -8.017
128 HG2 LYS 15 2HG LYS 15 5.121 4.411 -9.560
129 HG3 LYS 15 3HG LYS 15 6.775 4.781 -10.055
130 HD2 LYS 15 2HD LYS 15 7.583 2.793 -9.316
131 HD3 LYS 15 3HD LYS 15 6.450 2.712 -7.965
132 HE2 LYS 15 2HE LYS 15 4.933 1.558 -9.155
133 HE3 LYS 15 3HE LYS 15 5.197 2.522 -10.607
134 HZ1 LYS 15 3HZ LYS 15 7.178 1.240 -11.072
135 HZ2 LYS 15 1HZ LYS 15 5.847 0.206 -10.916
136 HZ3 LYS 15 2HZ LYS 15 6.970 0.336 -9.658
137 H GLY 16 H GLY 16 6.039 6.006 -6.023
138 HA2 GLY 16 2HA GLY 16 7.971 7.266 -4.174
139 HA3 GLY 16 3HA GLY 16 6.279 7.740 -4.245
140 H GLY 17 H GLY 17 4.674 6.279 -3.469
141 HA2 GLY 17 2HA GLY 17 4.250 4.033 -2.507
142 HA3 GLY 17 3HA GLY 17 5.773 4.224 -1.651
Start of MODEL 19
1 H21 PTL 1 H1 MET 1 1.622 -0.393 0.493
2 H22 PTL 1 HA MET 1 1.466 -0.277 -1.249
3 H31 PTL 1 2HB MET 1 3.856 0.582 -1.320
4 H32 PTL 1 3HB MET 1 2.660 1.666 -0.624
5 H41 PTL 1 2HG MET 1 4.045 -0.112 1.270
6 H42 PTL 1 3HG MET 1 5.032 1.129 0.504
7 H51 PTL 1 H3 MET 1 3.472 2.847 1.259
8 H52 PTL 1 H2 MET 1 4.124 1.908 2.622
9 H53 PTL 1 H4 MET 1 2.475 1.593 2.032
10 H VAL 2 H VAL 2 3.265 -1.308 -2.549
11 HA VAL 2 HA VAL 2 3.583 -4.027 -1.641
12 HB VAL 2 HB VAL 2 3.332 -2.866 -4.129
13 HG11 VAL 2 1HG1 VAL 2 6.120 -3.991 -3.970
14 HG12 VAL 2 2HG1 VAL 2 5.328 -3.259 -5.368
15 HG13 VAL 2 3HG1 VAL 2 5.762 -2.265 -3.977
16 HG21 VAL 2 3HG2 VAL 2 3.034 -5.006 -4.814
17 HG22 VAL 2 1HG2 VAL 2 4.511 -5.576 -4.036
18 HG23 VAL 2 2HG2 VAL 2 3.053 -5.314 -3.078
19 H ALA 3 H ALA 3 5.360 -1.204 -1.308
20 HA ALA 3 HA ALA 3 8.001 -1.896 -1.654
21 HB1 ALA 3 3HB ALA 3 7.685 0.315 -1.082
22 HB2 ALA 3 1HB ALA 3 6.616 -0.075 0.265
23 HB3 ALA 3 2HB ALA 3 8.353 -0.346 0.410
24 H ARG 4 H ARG 4 5.923 -2.559 1.142
25 HA ARG 4 HA ARG 4 7.789 -3.624 2.881
26 HB2 ARG 4 2HB ARG 4 5.578 -3.266 3.671
27 HB3 ARG 4 3HB ARG 4 4.889 -4.306 2.432
28 HG2 ARG 4 2HG ARG 4 6.811 -5.543 4.309
29 HG3 ARG 4 3HG ARG 4 5.228 -5.093 4.946
30 HD2 ARG 4 2HD ARG 4 4.830 -6.356 2.439
31 HD3 ARG 4 3HD ARG 4 5.943 -7.354 3.372
32 HE ARG 4 HE ARG 4 3.159 -7.010 3.843
33 HH11 ARG 4 1HH1 ARG 4 6.211 -7.517 5.439
34 HH12 ARG 4 2HH1 ARG 4 5.509 -8.294 6.819
35 HH21 ARG 4 2HH2 ARG 4 3.240 -8.589 6.940
36 HH22 ARG 4 1HH2 ARG 4 2.223 -8.033 5.654
37 H GLY 5 H GLY 5 6.497 -4.968 -0.040
38 HA2 GLY 5 2HA GLY 5 7.850 -7.526 0.552
39 HA3 GLY 5 3HA GLY 5 6.477 -7.365 -0.533
40 H TRP 6 H TRP 6 8.272 -4.720 -1.133
41 HA TRP 6 HA TRP 6 9.628 -6.036 -3.381
42 HB2 TRP 6 2HB TRP 6 8.088 -4.359 -4.124
43 HB3 TRP 6 3HB TRP 6 8.715 -3.186 -2.969
44 HD1 TRP 6 HD1 TRP 6 9.658 -1.359 -4.537
45 HE1 TRP 6 HE1 TRP 6 11.438 -1.304 -6.393
46 HE3 TRP 6 HE3 TRP 6 10.492 -6.381 -5.008
47 HZ2 TRP 6 HZ2 TRP 6 12.991 -3.146 -7.865
48 HZ3 TRP 6 HZ3 TRP 6 12.141 -7.152 -6.664
49 HH2 TRP 6 HH2 TRP 6 13.363 -5.566 -8.062
50 H LYS 7 H LYS 7 10.290 -2.943 -1.775
51 HA LYS 7 HA LYS 7 13.089 -3.806 -1.466
52 HB2 LYS 7 2HB LYS 7 11.879 -1.373 -2.491
53 HB3 LYS 7 3HB LYS 7 13.016 -1.030 -1.194
54 HG2 LYS 7 2HG LYS 7 13.923 -1.034 -3.564
55 HG3 LYS 7 3HG LYS 7 14.812 -1.975 -2.362
56 HD2 LYS 7 2HD LYS 7 14.051 -4.007 -3.214
57 HD3 LYS 7 3HD LYS 7 12.695 -3.253 -4.058
58 HE2 LYS 7 2HE LYS 7 14.525 -3.999 -5.565
59 HE3 LYS 7 3HE LYS 7 14.170 -2.276 -5.677
60 HZ1 LYS 7 3HZ LYS 7 16.138 -1.712 -4.698
61 HZ2 LYS 7 1HZ LYS 7 16.615 -3.129 -5.488
62 HZ3 LYS 7 2HZ LYS 7 16.272 -3.159 -3.832
63 H ARG 8 H ARG 8 11.428 -1.050 -0.011
64 HA ARG 8 HA ARG 8 11.956 -2.220 2.641
65 HB2 ARG 8 2HB ARG 8 12.159 0.677 1.802
66 HB3 ARG 8 3HB ARG 8 12.307 0.100 3.456
67 HG2 ARG 8 2HG ARG 8 14.132 -0.585 1.161
68 HG3 ARG 8 3HG ARG 8 14.488 0.516 2.494
69 HD2 ARG 8 2HD ARG 8 13.779 -1.725 3.846
70 HD3 ARG 8 3HD ARG 8 14.508 -2.424 2.401
71 HE ARG 8 HE ARG 8 16.176 -0.400 3.447
72 HH11 ARG 8 1HH1 ARG 8 15.109 -3.653 4.083
73 HH12 ARG 8 2HH1 ARG 8 16.551 -4.099 4.933
74 HH21 ARG 8 2HH2 ARG 8 18.240 -2.576 5.207
75 HH22 ARG 8 1HH2 ARG 8 18.080 -0.976 4.565
76 H LYS 9 H LYS 9 10.594 0.790 2.918
77 HA LYS 9 HA LYS 9 7.856 -0.298 2.994
78 HB2 LYS 9 2HB LYS 9 9.390 1.189 5.074
79 HB3 LYS 9 3HB LYS 9 7.665 1.506 4.934
80 HG2 LYS 9 2HG LYS 9 7.223 -0.317 6.101
81 HG3 LYS 9 3HG LYS 9 8.058 -1.307 4.903
82 HD2 LYS 9 2HD LYS 9 10.004 -1.366 6.105
83 HD3 LYS 9 3HD LYS 9 9.704 0.196 6.871
84 HE2 LYS 9 2HE LYS 9 7.684 -1.698 7.641
85 HE3 LYS 9 3HE LYS 9 9.288 -2.359 7.956
86 HZ1 LYS 9 3HZ LYS 9 8.811 -1.199 9.877
87 HZ2 LYS 9 1HZ LYS 9 8.040 0.068 9.065
88 HZ3 LYS 9 2HZ LYS 9 9.724 -0.070 9.009
89 H CYS 10 H CYS 10 9.565 2.825 3.274
90 HA CYS 10 HA CYS 10 7.427 4.307 2.137
91 HB2 CYS 10 2HB CYS 10 10.058 4.851 3.231
92 HB3 CYS 10 3HB CYS 10 9.751 5.821 1.796
93 HG CYS 10 HG CYS 10 8.011 5.814 4.729
94 HA PRO 11 HA PRO 11 10.170 4.463 -1.833
95 HB2 PRO 11 2HB PRO 11 12.337 2.829 -1.921
96 HB3 PRO 11 3HB PRO 11 12.400 4.476 -1.281
97 HG2 PRO 11 2HG PRO 11 12.186 1.879 0.192
98 HG3 PRO 11 3HG PRO 11 13.187 3.295 0.560
99 HD2 PRO 11 2HD PRO 11 10.857 2.785 1.842
100 HD3 PRO 11 3HD PRO 11 11.438 4.435 1.538
101 H LEU 12 H LEU 12 9.562 3.351 -3.617
102 HA LEU 12 HA LEU 12 8.914 0.495 -3.283
103 HB2 LEU 12 2HB LEU 12 7.034 2.294 -3.572
104 HB3 LEU 12 3HB LEU 12 7.503 2.221 -5.270
105 HG LEU 12 HG LEU 12 7.159 -0.429 -4.616
106 HD11 LEU 12 1HD1 LEU 12 6.204 0.123 -2.457
107 HD12 LEU 12 2HD1 LEU 12 4.966 -0.543 -3.520
108 HD13 LEU 12 3HD1 LEU 12 5.033 1.194 -3.226
109 HD21 LEU 12 3HD2 LEU 12 6.395 0.391 -6.672
110 HD22 LEU 12 1HD2 LEU 12 5.381 1.615 -5.908
111 HD23 LEU 12 2HD2 LEU 12 4.928 -0.086 -5.816
112 H PHE 13 H PHE 13 8.129 1.177 -6.330
113 HA PHE 13 HA PHE 13 10.549 0.003 -7.379
114 HB2 PHE 13 2HB PHE 13 7.875 0.720 -8.552
115 HB3 PHE 13 3HB PHE 13 9.224 0.268 -9.591
116 HD1 PHE 13 HD1 PHE 13 7.773 -1.000 -6.391
117 HD2 PHE 13 HD2 PHE 13 9.117 -1.892 -10.330
118 HE1 PHE 13 HE1 PHE 13 7.248 -3.376 -6.029
119 HE2 PHE 13 HE2 PHE 13 8.593 -4.269 -9.974
120 HZ PHE 13 HZ PHE 13 7.656 -5.014 -7.822
121 H GLY 14 H GLY 14 8.783 2.444 -9.163
122 HA2 GLY 14 2HA GLY 14 11.216 4.123 -9.153
123 HA3 GLY 14 3HA GLY 14 10.277 3.829 -10.609
124 H LYS 15 H LYS 15 8.454 4.180 -7.741
125 HA LYS 15 HA LYS 15 7.712 6.910 -8.562
126 HB2 LYS 15 2HB LYS 15 5.548 6.408 -7.356
127 HB3 LYS 15 3HB LYS 15 5.829 5.486 -8.827
128 HG2 LYS 15 2HG LYS 15 6.664 4.311 -6.225
129 HG3 LYS 15 3HG LYS 15 4.949 4.331 -6.645
130 HD2 LYS 15 2HD LYS 15 6.673 3.436 -8.826
131 HD3 LYS 15 3HD LYS 15 6.762 2.408 -7.394
132 HE2 LYS 15 2HE LYS 15 5.018 1.473 -8.613
133 HE3 LYS 15 3HE LYS 15 4.186 2.496 -7.443
134 HZ1 LYS 15 3HZ LYS 15 3.673 4.059 -9.053
135 HZ2 LYS 15 1HZ LYS 15 3.473 2.600 -9.886
136 HZ3 LYS 15 2HZ LYS 15 4.870 3.524 -10.121
137 H GLY 16 H GLY 16 6.160 6.306 -5.760
138 HA2 GLY 16 2HA GLY 16 8.337 7.480 -4.140
139 HA3 GLY 16 3HA GLY 16 6.661 7.989 -4.000
140 H GLY 17 H GLY 17 5.485 5.392 -4.120
141 HA2 GLY 17 2HA GLY 17 4.971 3.597 -2.778
142 HA3 GLY 17 3HA GLY 17 6.622 3.656 -2.179
Start of MODEL 20
1 H21 PTL 1 H1 MET 1 1.910 -0.735 1.654
2 H22 PTL 1 HA MET 1 1.090 -0.797 0.106
3 H31 PTL 1 2HB MET 1 3.096 0.441 -0.880
4 H32 PTL 1 3HB MET 1 2.021 1.363 0.162
5 H41 PTL 1 2HG MET 1 4.318 0.065 1.477
6 H42 PTL 1 3HG MET 1 4.686 1.395 0.380
7 H51 PTL 1 H3 MET 1 3.160 2.844 1.614
8 H52 PTL 1 H2 MET 1 4.431 2.183 2.668
9 H53 PTL 1 H4 MET 1 2.787 1.501 2.720
10 H VAL 2 H VAL 2 2.680 -1.431 -1.781
11 HA VAL 2 HA VAL 2 3.507 -4.102 -1.249
12 HB VAL 2 HB VAL 2 3.499 -2.327 -3.637
13 HG11 VAL 2 1HG1 VAL 2 5.713 -3.160 -3.835
14 HG12 VAL 2 2HG1 VAL 2 5.216 -4.784 -3.359
15 HG13 VAL 2 3HG1 VAL 2 4.709 -4.126 -4.915
16 HG21 VAL 2 3HG2 VAL 2 1.563 -3.557 -3.541
17 HG22 VAL 2 1HG2 VAL 2 2.569 -4.618 -4.526
18 HG23 VAL 2 2HG2 VAL 2 2.356 -4.951 -2.807
19 H ALA 3 H ALA 3 5.083 -1.060 -1.102
20 HA ALA 3 HA ALA 3 7.713 -1.627 -1.699
21 HB1 ALA 3 3HB ALA 3 8.030 0.030 0.410
22 HB2 ALA 3 1HB ALA 3 7.572 0.564 -1.207
23 HB3 ALA 3 2HB ALA 3 6.333 0.316 0.024
24 H ARG 4 H ARG 4 5.970 -2.236 1.325
25 HA ARG 4 HA ARG 4 8.132 -3.124 2.858
26 HB2 ARG 4 2HB ARG 4 6.061 -2.640 3.944
27 HB3 ARG 4 3HB ARG 4 5.198 -3.813 2.958
28 HG2 ARG 4 2HG ARG 4 7.421 -4.841 4.614
29 HG3 ARG 4 3HG ARG 4 5.966 -4.305 5.458
30 HD2 ARG 4 2HD ARG 4 5.145 -5.836 3.223
31 HD3 ARG 4 3HD ARG 4 6.423 -6.735 4.041
32 HE ARG 4 HE ARG 4 4.596 -5.798 5.954
33 HH11 ARG 4 1HH1 ARG 4 4.809 -8.104 3.355
34 HH12 ARG 4 2HH1 ARG 4 3.646 -9.186 4.046
35 HH21 ARG 4 2HH2 ARG 4 2.653 -8.679 6.047
36 HH22 ARG 4 1HH2 ARG 4 3.063 -7.215 6.874
37 H GLY 5 H GLY 5 6.568 -4.580 0.193
38 HA2 GLY 5 2HA GLY 5 7.882 -7.154 0.818
39 HA3 GLY 5 3HA GLY 5 6.374 -7.033 -0.077
40 H TRP 6 H TRP 6 8.223 -4.492 -1.041
41 HA TRP 6 HA TRP 6 9.189 -5.988 -3.381
42 HB2 TRP 6 2HB TRP 6 7.627 -4.323 -4.058
43 HB3 TRP 6 3HB TRP 6 8.376 -3.104 -3.031
44 HD1 TRP 6 HD1 TRP 6 8.858 -1.430 -5.022
45 HE1 TRP 6 HE1 TRP 6 10.556 -1.455 -6.957
46 HE3 TRP 6 HE3 TRP 6 10.337 -6.316 -4.741
47 HZ2 TRP 6 HZ2 TRP 6 12.292 -3.301 -8.199
48 HZ3 TRP 6 HZ3 TRP 6 12.020 -7.132 -6.339
49 HH2 TRP 6 HH2 TRP 6 12.976 -5.654 -8.032
50 H LYS 7 H LYS 7 10.154 -2.806 -2.164
51 HA LYS 7 HA LYS 7 12.948 -3.710 -2.242
52 HB2 LYS 7 2HB LYS 7 11.662 -1.002 -2.494
53 HB3 LYS 7 3HB LYS 7 13.377 -1.170 -2.146
54 HG2 LYS 7 2HG LYS 7 11.919 -2.168 -4.582
55 HG3 LYS 7 3HG LYS 7 13.078 -0.841 -4.501
56 HD2 LYS 7 2HD LYS 7 14.729 -2.598 -3.621
57 HD3 LYS 7 3HD LYS 7 13.571 -3.790 -4.216
58 HE2 LYS 7 2HE LYS 7 14.844 -3.599 -6.085
59 HE3 LYS 7 3HE LYS 7 13.734 -2.264 -6.393
60 HZ1 LYS 7 3HZ LYS 7 16.134 -1.728 -6.699
61 HZ2 LYS 7 1HZ LYS 7 16.349 -1.932 -5.034
62 HZ3 LYS 7 2HZ LYS 7 15.329 -0.714 -5.611
63 H ARG 8 H ARG 8 11.731 -0.921 -0.489
64 HA ARG 8 HA ARG 8 12.850 -2.062 1.973
65 HB2 ARG 8 2HB ARG 8 12.217 0.804 1.247
66 HB3 ARG 8 3HB ARG 8 12.868 0.280 2.795
67 HG2 ARG 8 2HG ARG 8 14.905 -0.441 1.772
68 HG3 ARG 8 3HG ARG 8 14.247 -0.161 0.158
69 HD2 ARG 8 2HD ARG 8 14.355 2.147 0.377
70 HD3 ARG 8 3HD ARG 8 14.391 2.076 2.138
71 HE ARG 8 HE ARG 8 16.696 0.858 1.010
72 HH11 ARG 8 1HH1 ARG 8 15.257 3.947 1.719
73 HH12 ARG 8 2HH1 ARG 8 16.775 4.771 1.852
74 HH21 ARG 8 2HH2 ARG 8 18.734 3.623 1.545
75 HH22 ARG 8 1HH2 ARG 8 18.702 1.931 1.182
76 H LYS 9 H LYS 9 10.968 0.568 2.692
77 HA LYS 9 HA LYS 9 8.610 -1.091 3.295
78 HB2 LYS 9 2HB LYS 9 9.781 1.031 5.102
79 HB3 LYS 9 3HB LYS 9 8.382 0.021 5.444
80 HG2 LYS 9 2HG LYS 9 9.692 -1.515 6.343
81 HG3 LYS 9 3HG LYS 9 10.577 -1.676 4.826
82 HD2 LYS 9 2HD LYS 9 12.326 -0.966 6.054
83 HD3 LYS 9 3HD LYS 9 11.625 0.632 5.785
84 HE2 LYS 9 2HE LYS 9 12.043 0.492 8.103
85 HE3 LYS 9 3HE LYS 9 10.305 0.259 7.913
86 HZ1 LYS 9 3HZ LYS 9 11.899 -2.163 7.874
87 HZ2 LYS 9 1HZ LYS 9 10.422 -1.849 8.637
88 HZ3 LYS 9 2HZ LYS 9 11.868 -1.346 9.355
89 H CYS 10 H CYS 10 9.705 2.306 3.308
90 HA CYS 10 HA CYS 10 7.068 3.271 2.708
91 HB2 CYS 10 2HB CYS 10 9.629 4.408 3.481
92 HB3 CYS 10 3HB CYS 10 8.855 5.351 2.212
93 HG CYS 10 HG CYS 10 8.315 5.516 5.371
94 HA PRO 11 HA PRO 11 9.035 4.375 -1.552
95 HB2 PRO 11 2HB PRO 11 11.543 3.467 -2.058
96 HB3 PRO 11 3HB PRO 11 11.222 5.026 -1.289
97 HG2 PRO 11 2HG PRO 11 11.986 2.418 -0.035
98 HG3 PRO 11 3HG PRO 11 12.579 4.049 0.327
99 HD2 PRO 11 2HD PRO 11 10.712 2.809 1.844
100 HD3 PRO 11 3HD PRO 11 10.740 4.569 1.615
101 H LEU 12 H LEU 12 8.434 3.211 -3.290
102 HA LEU 12 HA LEU 12 8.366 0.301 -3.022
103 HB2 LEU 12 2HB LEU 12 6.843 2.312 -4.594
104 HB3 LEU 12 3HB LEU 12 6.978 0.678 -5.240
105 HG LEU 12 HG LEU 12 6.101 0.867 -2.431
106 HD11 LEU 12 1HD1 LEU 12 4.165 1.967 -2.699
107 HD12 LEU 12 2HD1 LEU 12 3.910 1.335 -4.325
108 HD13 LEU 12 3HD1 LEU 12 4.980 2.714 -4.074
109 HD21 LEU 12 3HD2 LEU 12 4.984 -0.626 -4.800
110 HD22 LEU 12 1HD2 LEU 12 4.665 -0.933 -3.092
111 HD23 LEU 12 2HD2 LEU 12 6.270 -1.234 -3.758
112 H PHE 13 H PHE 13 8.213 1.664 -6.176
113 HA PHE 13 HA PHE 13 10.696 0.284 -6.876
114 HB2 PHE 13 2HB PHE 13 8.453 1.361 -8.595
115 HB3 PHE 13 3HB PHE 13 9.899 0.580 -9.227
116 HD1 PHE 13 HD1 PHE 13 7.109 -0.026 -6.834
117 HD2 PHE 13 HD2 PHE 13 9.858 -1.686 -9.626
118 HE1 PHE 13 HE1 PHE 13 6.018 -2.219 -6.598
119 HE2 PHE 13 HE2 PHE 13 8.773 -3.882 -9.396
120 HZ PHE 13 HZ PHE 13 6.849 -4.150 -7.881
121 H GLY 14 H GLY 14 9.757 2.614 -9.135
122 HA2 GLY 14 2HA GLY 14 11.833 4.473 -8.149
123 HA3 GLY 14 3HA GLY 14 11.687 4.035 -9.845
124 H LYS 15 H LYS 15 8.831 4.509 -7.936
125 HA LYS 15 HA LYS 15 8.404 7.103 -9.268
126 HB2 LYS 15 2HB LYS 15 5.932 5.807 -8.547
127 HB3 LYS 15 3HB LYS 15 6.471 6.376 -10.121
128 HG2 LYS 15 2HG LYS 15 6.147 4.138 -10.514
129 HG3 LYS 15 3HG LYS 15 7.872 4.186 -10.140
130 HD2 LYS 15 2HD LYS 15 7.612 3.077 -8.180
131 HD3 LYS 15 3HD LYS 15 6.043 3.812 -7.848
132 HE2 LYS 15 2HE LYS 15 5.983 1.348 -8.295
133 HE3 LYS 15 3HE LYS 15 4.940 2.317 -9.334
134 HZ1 LYS 15 3HZ LYS 15 7.579 1.919 -10.404
135 HZ2 LYS 15 1HZ LYS 15 6.070 1.714 -11.142
136 HZ3 LYS 15 2HZ LYS 15 6.721 0.476 -10.192
137 H GLY 16 H GLY 16 6.563 5.340 -6.793
138 HA2 GLY 16 2HA GLY 16 7.000 7.638 -4.986
139 HA3 GLY 16 3HA GLY 16 5.447 6.830 -5.133
140 H GLY 17 H GLY 17 4.991 5.348 -3.646
141 HA2 GLY 17 2HA GLY 17 6.467 3.254 -2.753
142 HA3 GLY 17 3HA GLY 17 7.011 4.579 -1.736