NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576817 |
2ru7   |
11489 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ru7
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1935
_Distance_constraint_stats_list.Viol_count 9675
_Distance_constraint_stats_list.Viol_total 188105.938
_Distance_constraint_stats_list.Viol_max 11.277
_Distance_constraint_stats_list.Viol_rms 2.1181
_Distance_constraint_stats_list.Viol_average_all_restraints 3.8885
_Distance_constraint_stats_list.Viol_average_violations_only 3.8885
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 1792.828 8.189 5 5 [**-*+]
1 2 G 2131.347 8.799 2 5 [*+***]
1 3 A 1371.939 8.001 1 5 [+**-*]
1 4 G 1712.228 9.387 1 5 [+*-**]
1 5 G 2480.368 10.576 3 5 [-*+**]
1 6 A 1753.129 9.879 2 5 [-+***]
1 7 G 1695.459 8.057 5 5 [*-**+]
1 8 G 2440.950 10.086 1 5 [+****]
1 9 A 1240.885 8.831 5 5 [*-**+]
1 10 G 1683.585 8.765 1 5 [+**-*]
1 11 G 2436.587 10.541 1 5 [+**-*]
1 12 A 1765.574 9.691 2 5 [*+*-*]
2 1 G 1801.774 8.060 5 5 [-***+]
2 2 G 2150.181 8.164 1 5 [+**-*]
2 3 A 1378.116 7.981 4 5 [-**+*]
2 4 G 1661.420 8.948 4 5 [***+*]
2 5 G 2596.159 11.277 1 5 [+**-*]
2 6 A 1756.953 9.198 5 5 [*-**+]
2 7 G 1692.003 8.071 2 5 [-+***]
2 8 G 2460.881 10.184 1 5 [+-***]
2 9 A 1234.159 8.917 1 5 [+****]
2 10 G 1688.786 8.453 3 5 [*-+**]
2 11 G 2362.438 10.357 5 5 [**-*+]
2 12 A 1762.242 9.879 2 5 [*+-**]
3 1 GLY 317.492 9.732 1 5 [+-***]
3 2 GLN 1634.388 10.541 1 5 [+**-*]
3 3 TRP 4584.925 9.732 1 5 [+*-**]
3 4 ASN 1394.816 9.785 2 5 [*+-**]
3 5 LYS 2291.260 10.086 1 5 [+**-*]
3 6 PRO 969.451 10.576 3 5 [-*+**]
3 7 SER 515.276 8.560 4 5 [-**+*]
3 8 LYS 667.388 10.246 3 5 [*-+**]
3 9 PRO 302.497 8.831 5 5 [*-**+]
3 10 LYS 331.124 7.792 2 5 [*+**-]
3 11 THR 274.244 6.670 1 5 [+**-*]
3 12 ASN 215.804 7.533 5 5 [****+]
4 1 GLY 317.734 9.743 5 5 [***-+]
4 2 GLN 1603.060 10.357 5 5 [**-*+]
4 3 TRP 4669.588 11.277 1 5 [+*-**]
4 4 ASN 1432.638 9.819 4 5 [***+*]
4 5 LYS 2346.979 10.184 1 5 [+****]
4 6 PRO 965.105 10.575 4 5 [***+*]
4 7 SER 527.416 8.549 1 5 [+***-]
4 8 LYS 651.332 10.095 5 5 [*-**+]
4 9 PRO 309.589 8.917 1 5 [+*-**]
4 10 LYS 337.521 7.470 5 5 [****+]
4 11 THR 285.869 6.763 1 5 [+****]
4 12 ASN 211.430 6.322 5 5 [-***+]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1 1 1 G H1' . . 1.800 5.935 5.850 6.138 4.338 1 5 [+-***] 1
2 1 1 G H1 1 1 G H4' . . 1.800 8.124 7.755 8.528 6.728 2 5 [-+***] 1
3 1 1 G H1 1 1 G Q5' . . 1.800 7.713 7.492 7.885 6.085 5 5 [*-**+] 1
4 1 1 G H1 1 2 G H1' . . 1.800 7.326 6.267 8.137 6.337 2 5 [-+***] 1
5 1 1 G H1 1 2 G Q2 . . 1.800 4.750 4.087 5.475 3.675 2 5 [-+***] 1
6 1 1 G H1 1 2 G Q5' . . 1.800 8.187 6.614 8.731 6.931 2 5 [*+*-*] 1
7 1 1 G H1 1 2 G H8 . . 1.800 7.052 6.862 7.206 5.406 5 5 [-***+] 1
8 1 1 G H1 1 3 A H1' . . 1.800 9.606 9.420 9.725 7.925 3 5 [*-+**] 1
9 1 1 G H1 1 3 A H2 . . 1.800 9.662 9.615 9.732 7.932 3 5 [*-+**] 1
10 1 1 G H1 1 3 A H3' . . 1.800 8.439 8.316 8.551 6.751 1 5 [+-***] 1
11 1 1 G H1 1 3 A Q5' . . 1.800 8.402 7.482 8.922 7.122 2 5 [-+***] 1
12 1 1 G H1 1 3 A Q6 . . 1.800 4.602 4.516 4.674 2.874 2 5 [-+***] 1
13 1 1 G H1 1 3 A H8 . . 1.800 6.383 6.276 6.491 4.691 1 5 [+-***] 1
14 1 1 G H1 1 4 G H1 . . 1.800 4.303 4.283 4.329 2.529 2 5 [*+**-] 1
15 1 1 G H1 1 4 G H1' . . 1.800 7.377 7.158 7.538 5.738 1 5 [+-***] 1
16 1 1 G H1 1 4 G Q2 . . 1.800 6.085 6.065 6.105 4.305 4 5 [***+-] 1
17 1 1 G H1 1 4 G H8 . . 1.800 5.492 5.474 5.504 3.704 1 5 [+*-**] 1
18 1 1 G H1 1 5 G H1 . . 1.800 5.761 5.220 6.205 4.405 1 5 [+-***] 1
19 1 1 G H1 1 5 G H8 . . 1.800 7.684 7.419 7.883 6.083 2 5 [-+***] 1
20 1 1 G H1 1 8 G H1 . . 1.800 7.027 6.492 7.849 6.049 1 5 [+-***] 1
21 1 1 G H1 1 10 G H1 . . 1.800 4.281 4.222 4.378 2.578 1 5 [+-***] 1
22 1 1 G H1 1 11 G H1 . . 1.800 4.274 3.921 5.004 3.204 1 5 [+-***] 1
23 1 1 G H1' 1 1 G Q2 . . 1.800 4.354 4.188 4.664 2.864 1 5 [+-***] 1
24 1 1 G H1' 1 1 G H3' . . 1.800 3.698 3.671 3.728 1.928 3 5 [**+*-] 1
25 1 1 G H1' 1 1 G H4' . . 1.800 2.995 2.566 3.485 1.685 2 5 [-+***] 1
26 1 1 G H1' 1 1 G Q5' . . 1.800 3.934 3.836 3.991 2.191 3 5 [*-+**] 1
27 1 1 G H1' 1 1 G H8 . . 1.800 3.728 3.549 3.807 2.007 5 5 [-***+] 1
28 1 1 G H1' 1 2 G H1' . . 1.800 5.189 4.404 5.717 3.917 2 5 [-+***] 1
29 1 1 G H1' 1 2 G H3' . . 1.800 6.275 5.566 6.801 5.001 5 5 [***-+] 1
30 1 1 G H1' 1 2 G H4' . . 1.800 5.513 4.696 6.091 4.291 2 5 [-+***] 1
31 1 1 G H1' 1 2 G Q5' . . 1.800 3.579 2.404 4.118 2.318 5 5 [***-+] 1
32 1 1 G H1' 1 2 G H8 . . 1.800 2.663 2.487 2.956 1.156 5 5 [-***+] 1
33 1 1 G H1' 1 3 A H2 . . 1.800 6.752 6.544 7.107 5.307 1 5 [+*-**] 1
34 1 1 G H1' 1 3 A Q6 . . 1.800 2.959 2.730 3.319 1.519 1 5 [+-***] 1
35 1 1 G H1' 1 11 G H1 . . 1.800 5.837 5.103 6.497 4.697 1 5 [+-***] 1
36 1 1 G H1' 1 11 G Q2 . . 1.800 3.709 3.337 4.121 2.321 1 5 [+-***] 1
37 1 1 G H1' 2 3 A H8 . . 1.800 7.668 7.494 7.828 6.028 5 5 [-***+] 1
38 1 1 G H1' 2 4 G H1' . . 1.800 4.012 3.948 4.228 2.428 4 5 [***+-] 1
39 1 1 G H1' 2 4 G H8 . . 1.800 5.447 5.384 5.481 3.681 3 5 [**+*-] 1
40 1 1 G Q2 1 1 G H4' . . 1.800 5.733 5.292 6.314 4.514 2 5 [-+***] 1
41 1 1 G Q2 1 2 G H1 . . 1.800 3.488 3.307 3.785 1.985 1 5 [+-***] 1
42 1 1 G Q2 1 2 G H1' . . 1.800 4.670 3.660 5.370 3.570 2 5 [-+***] 1
43 1 1 G Q2 1 2 G H8 . . 1.800 5.362 5.246 5.494 3.694 1 5 [+*-**] 1
44 1 1 G Q2 1 3 A H1' . . 1.800 5.934 5.770 6.023 4.223 1 5 [+-***] 1
45 1 1 G Q2 1 3 A H2 . . 1.800 6.254 6.209 6.303 4.503 4 5 [*-*+*] 1
46 1 1 G Q2 1 3 A H3' . . 1.800 5.255 5.082 5.402 3.602 1 5 [+**-*] 1
47 1 1 G Q2 1 3 A Q5' . . 1.800 5.434 4.552 5.924 4.124 2 5 [-+***] 1
48 1 1 G Q2 1 3 A Q6 . . 1.800 2.360 2.218 2.482 0.682 2 4 "[ +**-]" 1
49 1 1 G Q2 1 3 A H8 . . 1.800 3.271 3.187 3.384 1.584 1 5 [+-***] 1
50 1 1 G Q2 1 4 G H1 . . 1.800 5.027 4.982 5.049 3.249 1 5 [+-***] 1
51 1 1 G Q2 1 4 G H1' . . 1.800 5.592 5.242 5.728 3.928 1 5 [+-***] 1
52 1 1 G Q2 1 4 G H8 . . 1.800 3.178 3.144 3.215 1.415 1 5 [+***-] 1
53 1 1 G Q2 1 10 G H1 . . 1.800 6.041 5.991 6.102 4.302 1 5 [+-***] 1
54 1 1 G Q2 1 11 G H1 . . 1.800 5.387 4.680 6.189 4.389 1 5 [+-***] 1
55 1 1 G H3' 1 1 G H4' . . 1.800 2.842 2.722 2.944 1.144 1 5 [+-***] 1
56 1 1 G H3' 1 1 G Q5' . . 1.800 2.720 2.279 3.096 1.296 2 4 "[ +**-]" 1
57 1 1 G H3' 1 1 G H8 . . 1.800 4.722 4.613 4.792 2.992 1 5 [+*-**] 1
58 1 1 G H3' 1 2 G H3' . . 1.800 7.175 6.052 7.584 5.784 3 5 [**+-*] 1
59 1 1 G H3' 1 2 G H4' . . 1.800 6.660 6.025 6.942 5.142 5 5 [-***+] 1
60 1 1 G H3' 1 2 G Q5' . . 1.800 4.387 4.084 4.594 2.794 1 5 [+**-*] 1
61 1 1 G H3' 1 2 G H8 . . 1.800 4.888 4.545 5.413 3.613 1 5 [+**-*] 1
62 1 1 G H3' 1 3 A H2 . . 1.800 7.330 7.103 7.697 5.897 2 5 [-+***] 1
63 1 1 G H3' 1 12 A H1' . . 1.800 6.766 4.732 8.380 6.580 1 5 [+-***] 1
64 1 1 G H3' 2 4 G H1' . . 1.800 4.926 4.022 5.357 3.557 2 5 [-+***] 1
65 1 1 G H3' 2 4 G H8 . . 1.800 7.312 6.305 7.794 5.994 2 5 [-+***] 1
66 1 1 G H4' 1 1 G Q5' . . 1.800 2.329 2.230 2.459 0.659 1 4 "[+ -**]" 1
67 1 1 G H4' 1 1 G H8 . . 1.800 5.493 5.340 5.567 3.767 4 5 [*-*+*] 1
68 1 1 G H4' 1 2 G H4' . . 1.800 5.136 3.437 6.616 4.816 2 5 [-+***] 1
69 1 1 G H4' 1 2 G Q5' . . 1.800 3.873 2.696 4.873 3.073 2 5 [*+*-*] 1
70 1 1 G H4' 1 2 G H8 . . 1.800 4.803 4.337 5.329 3.529 2 5 [-+***] 1
71 1 1 G H4' 1 3 A H2 . . 1.800 4.821 4.497 5.360 3.560 2 5 [*+-**] 1
72 1 1 G H4' 2 4 G H1' . . 1.800 4.195 3.862 4.452 2.652 1 5 [+-***] 1
73 1 1 G H4' 2 4 G H8 . . 1.800 5.330 5.145 5.536 3.736 2 5 [-+***] 1
74 1 1 G Q5' 1 1 G H8 . . 1.800 4.255 3.190 5.277 3.477 1 5 [+-***] 1
75 1 1 G Q5' 1 3 A H2 . . 1.800 5.098 3.920 6.502 4.702 2 5 [-+***] 1
76 1 1 G Q5' 2 4 G H1' . . 1.800 2.842 2.530 3.154 1.354 5 5 [***-+] 1
77 1 1 G Q5' 2 4 G H4' . . 1.800 2.926 2.610 3.317 1.517 2 5 [*+-**] 1
78 1 1 G Q5' 2 4 G H8 . . 1.800 4.522 3.496 5.223 3.423 2 5 [-+***] 1
79 1 1 G Q5' 2 6 A H2 . . 1.800 5.061 3.652 6.173 4.373 1 5 [+-***] 1
80 1 1 G H8 1 2 G H3' . . 1.800 9.568 9.032 9.989 8.189 5 5 [***-+] 1
81 1 1 G H8 1 2 G Q5' . . 1.800 6.570 5.797 7.004 5.204 5 5 [***-+] 1
82 1 1 G H8 1 2 G H8 . . 1.800 5.346 4.829 5.732 3.932 5 5 [-***+] 1
83 1 1 G H8 1 3 A Q6 . . 1.800 5.046 4.990 5.154 3.354 1 5 [+**-*] 1
84 1 1 G H8 1 10 G H1 . . 1.800 5.234 5.103 5.311 3.511 5 5 [-***+] 1
85 1 1 G H8 1 11 G H1 . . 1.800 5.112 4.966 5.313 3.513 1 5 [+-***] 1
86 1 1 G H8 1 11 G H1' . . 1.800 5.628 4.594 6.354 4.554 1 5 [+-***] 1
87 1 1 G H8 1 11 G Q2 . . 1.800 3.144 2.883 3.342 1.542 5 5 [-***+] 1
88 1 1 G H8 1 11 G H8 . . 1.800 8.163 7.329 9.070 7.270 1 5 [+-***] 1
89 1 1 G H8 1 12 A H1' . . 1.800 4.286 3.196 5.123 3.323 1 5 [+-***] 1
90 1 1 G H8 1 12 A H4' . . 1.800 5.270 4.153 6.257 4.457 1 5 [+-***] 1
91 1 1 G H8 1 12 A H8 . . 1.800 7.112 6.531 7.803 6.003 1 5 [+***-] 1
92 1 1 G H8 2 4 G H1 . . 1.800 6.711 6.263 7.103 5.303 5 5 [-***+] 1
93 1 1 G H8 2 4 G H1' . . 1.800 3.642 3.338 3.891 2.091 2 5 [-+***] 1
94 1 1 G H8 2 4 G Q2 . . 1.800 4.624 4.359 4.870 3.070 5 5 [-***+] 1
95 1 1 G H8 2 4 G H4' . . 1.800 7.167 6.995 7.323 5.523 2 5 [-+***] 1
96 1 1 G H8 2 4 G H8 . . 1.800 6.639 6.217 6.985 5.185 2 5 [-+***] 1
97 1 1 G H8 2 5 G H4' . . 1.800 7.004 6.683 7.421 5.621 4 5 [-**+*] 1
98 1 1 G H8 2 6 A H2 . . 1.800 4.171 3.323 4.703 2.903 5 5 [*-**+] 1
99 1 1 G H8 2 6 A H8 . . 1.800 6.159 5.727 6.620 4.820 2 5 [*+*-*] 1
100 1 2 G H1 1 2 G H1' . . 1.800 5.888 5.853 5.964 4.164 4 5 [***+-] 1
101 1 2 G H1 1 3 A H3' . . 1.800 7.282 6.093 8.474 6.674 1 5 [+-***] 1
102 1 2 G H1 1 4 G H1 . . 1.800 4.426 4.080 5.170 3.370 2 5 [-+***] 1
103 1 2 G H1 1 4 G H1' . . 1.800 7.183 6.593 7.752 5.952 1 5 [+-***] 1
104 1 2 G H1 1 4 G H8 . . 1.800 5.247 4.166 6.033 4.233 1 5 [+-***] 1
105 1 2 G H1 1 5 G H1 . . 1.800 4.346 4.253 4.612 2.812 2 5 [-+***] 1
106 1 2 G H1 1 5 G H8 . . 1.800 5.274 4.990 5.435 3.635 1 5 [+-***] 1
107 1 2 G H1 1 6 A H2 . . 1.800 8.410 7.805 8.845 7.045 2 5 [*+*-*] 1
108 1 2 G H1 1 8 G H1 . . 1.800 6.792 6.571 7.295 5.495 2 5 [*+-**] 1
109 1 2 G H1 1 10 G H1 . . 1.800 6.187 5.379 7.029 5.229 2 5 [-+***] 1
110 1 2 G H1 1 11 G H1 . . 1.800 4.134 4.081 4.188 2.388 3 5 [**+*-] 1
111 1 2 G H1 1 12 A H2 . . 1.800 6.056 5.581 7.089 5.289 2 5 [-+***] 1
112 1 2 G H1 3 2 GLN QB . . 1.800 2.889 2.441 3.186 1.386 5 5 [*-**+] 1
113 1 2 G H1 3 2 GLN QG . . 1.800 4.559 3.586 4.998 3.198 4 5 [*-*+*] 1
114 1 2 G H1 3 3 TRP HA . . 1.800 5.647 5.166 5.793 3.993 1 5 [+***-] 1
115 1 2 G H1 3 3 TRP QB . . 1.800 4.534 4.301 4.918 3.118 4 5 [***+-] 1
116 1 2 G H1 3 3 TRP HD1 . . 1.800 3.123 2.839 3.586 1.786 2 5 [-+***] 1
117 1 2 G H1 3 3 TRP HE3 . . 1.800 7.994 7.793 8.226 6.426 2 5 [*+**-] 1
118 1 2 G H1 3 3 TRP HH2 . . 1.800 9.611 9.359 9.955 8.155 2 5 [-+***] 1
119 1 2 G H1 3 3 TRP HZ2 . . 1.800 7.721 7.436 8.135 6.335 2 5 [-+***] 1
120 1 2 G H1 3 3 TRP HZ3 . . 1.800 9.699 9.493 9.969 8.169 2 5 [-+***] 1
121 1 2 G H1 3 4 ASN QB . . 1.800 9.334 9.082 9.549 7.749 2 5 [*+**-] 1
122 1 2 G H1 3 4 ASN QD . . 1.800 9.402 9.104 9.577 7.777 4 5 [***+-] 1
123 1 2 G H1 3 5 LYS QB . . 1.800 9.626 9.466 9.812 8.012 3 5 [**+-*] 1
124 1 2 G H1 3 5 LYS QD . . 1.800 8.554 8.473 8.594 6.794 1 5 [+***-] 1
125 1 2 G H1 3 5 LYS QE . . 1.800 7.222 7.069 7.405 5.605 1 5 [+**-*] 1
126 1 2 G H1 3 5 LYS QG . . 1.800 8.115 7.821 8.366 6.566 3 5 [**+-*] 1
127 1 2 G H1 3 6 PRO QG . . 1.800 8.590 8.067 8.993 7.193 1 5 [+-***] 1
128 1 2 G H1' 1 2 G H3' . . 1.800 3.787 3.678 3.894 2.094 4 5 [-**+*] 1
129 1 2 G H1' 1 2 G H4' . . 1.800 3.518 3.319 3.743 1.943 4 5 [-**+*] 1
130 1 2 G H1' 1 2 G Q5' . . 1.800 3.866 3.691 3.934 2.134 3 5 [**+-*] 1
131 1 2 G H1' 1 2 G H8 . . 1.800 3.867 3.798 3.912 2.112 2 5 [*+*-*] 1
132 1 2 G H1' 1 3 A H1' . . 1.800 6.259 5.272 7.316 5.516 4 5 [**-+*] 1
133 1 2 G H1' 1 3 A H2 . . 1.800 7.504 6.760 8.099 6.299 4 5 [**-+*] 1
134 1 2 G H1' 1 3 A H3' . . 1.800 4.289 3.183 5.547 3.747 1 5 [+-***] 1
135 1 2 G H1' 1 3 A H4' . . 1.800 5.655 5.072 6.225 4.425 4 5 [*-*+*] 1
136 1 2 G H1' 1 3 A Q5' . . 1.800 2.753 2.092 3.165 1.365 1 4 "[+ **-]" 1
137 1 2 G H1' 1 3 A H8 . . 1.800 4.116 3.414 5.114 3.314 4 5 [**-+*] 1
138 1 2 G H1' 1 4 G H8 . . 1.800 6.159 5.753 6.768 4.968 4 5 [-**+*] 1
139 1 2 G H1' 1 11 G H1 . . 1.800 7.748 7.315 7.984 6.184 5 5 [*-**+] 1
140 1 2 G H1' 3 3 TRP HD1 . . 1.800 7.301 7.152 7.434 5.634 4 5 [***+-] 1
141 1 2 G H1' 3 5 LYS QE . . 1.800 8.138 7.374 9.434 7.634 2 5 [*+*-*] 1
142 1 2 G Q2 1 4 G H1 . . 1.800 4.865 4.135 5.926 4.126 2 5 [-+***] 1
143 1 2 G Q2 1 4 G H8 . . 1.800 3.534 2.979 3.765 1.965 4 5 [*-*+*] 1
144 1 2 G Q2 1 5 G H8 . . 1.800 3.252 3.160 3.343 1.543 1 5 [+***-] 1
145 1 2 G H3' 1 2 G H4' . . 1.800 2.706 2.668 2.718 0.918 1 5 [+**-*] 1
146 1 2 G H3' 1 2 G Q5' . . 1.800 2.405 2.210 3.124 1.324 4 1 "[ +.]" 1
147 1 2 G H3' 1 2 G H8 . . 1.800 4.540 4.397 4.767 2.967 1 5 [+***-] 1
148 1 2 G H3' 1 3 A H2 . . 1.800 7.905 6.732 8.693 6.893 5 5 [***-+] 1
149 1 2 G H3' 1 3 A Q5' . . 1.800 4.316 4.085 4.604 2.804 1 5 [+-***] 1
150 1 2 G H4' 1 2 G Q5' . . 1.800 2.389 2.241 2.467 0.667 1 4 "[+** -]" 1
151 1 2 G H4' 1 2 G H8 . . 1.800 4.859 4.701 5.173 3.373 4 5 [***+-] 1
152 1 2 G H4' 1 3 A H1' . . 1.800 5.390 4.740 5.910 4.110 1 5 [+*-**] 1
153 1 2 G H4' 1 3 A H2 . . 1.800 5.414 4.791 6.112 4.312 5 5 [***-+] 1
154 1 2 G H4' 1 3 A H3' . . 1.800 5.544 4.514 6.860 5.060 1 5 [+**-*] 1
155 1 2 G H4' 1 3 A H4' . . 1.800 5.243 4.617 6.253 4.453 1 5 [+**-*] 1
156 1 2 G H4' 1 3 A Q5' . . 1.800 3.532 2.573 4.554 2.754 3 5 [**+-*] 1
157 1 2 G H4' 1 3 A Q6 . . 1.800 5.421 4.620 6.183 4.383 2 5 [-+***] 1
158 1 2 G H4' 1 3 A H8 . . 1.800 5.527 4.891 5.775 3.975 2 5 [*+*-*] 1
159 1 2 G H4' 2 4 G H8 . . 1.800 8.301 7.474 9.136 7.336 2 5 [-+***] 1
160 1 2 G Q5' 1 2 G H8 . . 1.800 2.555 2.293 2.773 0.973 1 4 [+-**.] 1
161 1 2 G Q5' 1 3 A H2 . . 1.800 5.854 3.756 6.593 4.793 1 5 [+**-*] 1
162 1 2 G Q5' 1 3 A H3' . . 1.800 6.733 5.444 8.168 6.368 1 5 [+**-*] 1
163 1 2 G Q5' 1 3 A Q5' . . 1.800 4.859 4.057 5.566 3.766 3 5 [**+-*] 1
164 1 2 G Q5' 1 3 A Q6 . . 1.800 4.752 2.870 5.335 3.535 5 5 [***-+] 1
165 1 2 G Q5' 1 3 A H8 . . 1.800 6.289 4.913 7.148 5.348 1 5 [+**-*] 1
166 1 2 G H8 1 3 A H1' . . 1.800 8.882 8.231 9.801 8.001 1 5 [+-***] 1
167 1 2 G H8 1 3 A H2 . . 1.800 8.136 7.827 8.755 6.955 1 5 [+*-**] 1
168 1 2 G H8 1 3 A H3' . . 1.800 7.839 6.559 9.411 7.611 1 5 [+-***] 1
169 1 2 G H8 1 3 A Q5' . . 1.800 6.094 5.497 6.678 4.878 1 5 [+-***] 1
170 1 2 G H8 1 3 A Q6 . . 1.800 4.893 4.714 5.078 3.278 1 5 [+-***] 1
171 1 2 G H8 1 11 G H1 . . 1.800 5.932 5.378 6.286 4.486 5 5 [*-**+] 1
172 1 2 G H8 1 12 A H1' . . 1.800 5.788 5.377 6.238 4.438 5 5 [*-**+] 1
173 1 2 G H8 2 4 G H1' . . 1.800 6.631 6.343 6.888 5.088 5 5 [-***+] 1
174 1 2 G H8 3 2 GLN QG . . 1.800 5.222 5.016 5.383 3.583 4 5 [**-+*] 1
175 1 2 G H8 3 3 TRP HD1 . . 1.800 6.739 6.537 7.039 5.239 4 5 [**-+*] 1
176 1 2 G H8 3 3 TRP HH2 . . 1.800 9.721 9.495 10.055 8.255 5 5 [-***+] 1
177 1 2 G H8 3 3 TRP HZ2 . . 1.800 7.305 7.108 7.558 5.758 5 5 [-***+] 1
178 1 2 G H8 3 5 LYS QE . . 1.800 9.165 8.555 10.599 8.799 2 5 [*+-**] 1
179 1 2 G H8 3 5 LYS QG . . 1.800 8.813 8.208 10.196 8.396 2 5 [*+*-*] 1
180 1 2 G H8 3 6 PRO QB . . 1.800 9.060 8.710 9.466 7.666 1 5 [+***-] 1
181 1 3 A H1' 1 3 A H3' . . 1.800 3.832 3.736 3.963 2.163 1 5 [+-***] 1
182 1 3 A H1' 1 3 A H4' . . 1.800 3.443 3.153 3.826 2.026 1 5 [+*-**] 1
183 1 3 A H1' 1 3 A Q5' . . 1.800 4.261 3.967 4.364 2.564 2 5 [-+***] 1
184 1 3 A H1' 1 3 A H8 . . 1.800 3.849 3.768 3.904 2.104 3 5 [**+-*] 1
185 1 3 A H1' 1 4 G Q5' . . 1.800 5.253 4.691 6.106 4.306 2 5 [*+**-] 1
186 1 3 A H1' 1 4 G H8 . . 1.800 5.814 5.495 6.164 4.364 3 5 [*-+**] 1
187 1 3 A H1' 2 3 A H2 . . 1.800 3.186 2.777 3.725 1.925 3 5 [*-+**] 1
188 1 3 A H2 1 3 A Q5' . . 1.800 6.777 6.264 7.434 5.634 3 5 [**+-*] 1
189 1 3 A H2 1 3 A Q6 . . 1.800 4.076 4.065 4.091 2.291 2 5 [-+***] 1
190 1 3 A H2 2 3 A H1' . . 1.800 3.304 3.087 3.546 1.746 5 5 [-***+] 1
191 1 3 A H2 2 3 A H3' . . 1.800 5.275 5.050 5.490 3.690 3 5 [*-+**] 1
192 1 3 A H2 2 3 A H4' . . 1.800 5.838 5.507 6.248 4.448 1 5 [+**-*] 1
193 1 3 A H2 2 4 G H4' . . 1.800 5.919 5.651 6.447 4.647 1 5 [+***-] 1
194 1 3 A H2 2 4 G Q5' . . 1.800 4.588 4.351 4.916 3.116 1 5 [+-***] 1
195 1 3 A H2 2 4 G H8 . . 1.800 5.580 5.409 5.799 3.999 3 5 [*-+**] 1
196 1 3 A H3' 1 3 A H4' . . 1.800 3.002 2.926 3.029 1.229 2 5 [-+***] 1
197 1 3 A H3' 1 3 A Q5' . . 1.800 2.242 2.194 2.274 0.474 5 0 "[ .]" 1
198 1 3 A H3' 1 3 A H8 . . 1.800 2.322 2.228 2.400 0.600 3 3 "[- +*.]" 1
199 1 3 A H3' 1 4 G H1' . . 1.800 6.775 5.713 7.149 5.349 2 5 [-+***] 1
200 1 3 A H3' 1 4 G Q5' . . 1.800 2.733 2.249 3.941 2.141 2 4 "[ +-**]" 1
201 1 3 A H3' 1 4 G H8 . . 1.800 4.176 3.707 4.376 2.576 3 5 [-*+**] 1
202 1 3 A H3' 2 3 A H2 . . 1.800 5.517 5.240 5.788 3.988 2 5 [*+-**] 1
203 1 3 A H4' 1 3 A Q5' . . 1.800 2.378 2.326 2.451 0.651 1 5 [+**-*] 1
204 1 3 A H4' 1 3 A H8 . . 1.800 4.753 4.474 4.897 3.097 4 5 [-**+*] 1
205 1 3 A H4' 1 4 G H8 . . 1.800 6.887 6.522 7.146 5.346 3 5 [-*+**] 1
206 1 3 A H4' 2 3 A H2 . . 1.800 5.717 5.336 6.505 4.705 1 5 [+-***] 1
207 1 3 A Q5' 1 3 A H8 . . 1.800 3.409 2.463 3.784 1.984 2 5 [-+***] 1
208 1 3 A Q5' 1 4 G Q5' . . 1.800 4.061 2.966 5.177 3.377 2 5 [-+***] 1
209 1 3 A Q5' 1 4 G H8 . . 1.800 5.537 4.439 5.909 4.109 2 5 [-+***] 1
210 1 3 A Q6 2 4 G H1' . . 1.800 2.983 2.741 3.389 1.589 1 5 [+-***] 1
211 1 3 A Q6 2 4 G H8 . . 1.800 2.341 2.229 2.387 0.587 5 4 "[ **-+]" 1
212 1 3 A H8 1 4 G H1' . . 1.800 5.965 5.649 6.363 4.563 3 5 [-*+**] 1
213 1 3 A H8 1 4 G H4' . . 1.800 5.469 5.082 5.802 4.002 2 5 [*+*-*] 1
214 1 3 A H8 1 4 G Q5' . . 1.800 2.963 2.374 3.810 2.010 2 5 [*+*-*] 1
215 1 3 A H8 1 4 G H8 . . 1.800 2.674 2.527 2.976 1.176 3 5 [**+-*] 1
216 1 3 A H8 2 1 G H1' . . 1.800 7.404 6.507 8.372 6.572 2 5 [-+***] 1
217 1 4 G H1 1 4 G H1' . . 1.800 6.269 6.194 6.435 4.635 1 5 [+***-] 1
218 1 4 G H1 1 5 G H1 . . 1.800 3.701 3.486 4.082 2.282 1 5 [+***-] 1
219 1 4 G H1 1 5 G H1' . . 1.800 5.515 5.394 5.649 3.849 3 5 [-*+**] 1
220 1 4 G H1 1 5 G Q2 . . 1.800 4.365 4.054 4.787 2.987 1 5 [+-***] 1
221 1 4 G H1 1 5 G H4' . . 1.800 7.623 7.402 7.815 6.015 3 5 [-*+**] 1
222 1 4 G H1 1 5 G Q5' . . 1.800 7.370 7.093 7.544 5.744 3 5 [-*+**] 1
223 1 4 G H1 1 5 G H8 . . 1.800 5.722 5.273 6.148 4.348 2 5 [-+***] 1
224 1 4 G H1 1 6 A H1' . . 1.800 8.504 7.969 9.400 7.600 5 5 [***-+] 1
225 1 4 G H1 1 6 A H2 . . 1.800 6.247 5.685 6.727 4.927 5 5 [***-+] 1
226 1 4 G H1 1 6 A H3' . . 1.800 6.996 6.431 7.358 5.558 2 5 [*+-**] 1
227 1 4 G H1 1 7 G H1 . . 1.800 4.352 4.275 4.433 2.633 4 5 [**-+*] 1
228 1 4 G H1 1 7 G H1' . . 1.800 6.871 6.719 7.015 5.215 1 5 [+-***] 1
229 1 4 G H1 1 7 G H3' . . 1.800 9.082 8.849 9.314 7.514 1 5 [+-***] 1
230 1 4 G H1 1 7 G H8 . . 1.800 4.863 4.679 5.020 3.220 3 5 [*-+**] 1
231 1 4 G H1 1 8 G H8 . . 1.800 8.117 7.742 8.696 6.896 1 5 [+-***] 1
232 1 4 G H1 2 1 G H8 . . 1.800 6.546 6.149 6.750 4.950 2 5 [-+***] 1
233 1 4 G H1 2 10 G H1 . . 1.800 3.419 3.301 3.488 1.688 2 5 [-+***] 1
234 1 4 G H1 2 10 G H1' . . 1.800 7.561 7.330 7.799 5.999 3 5 [*-+**] 1
235 1 4 G H1 2 10 G H8 . . 1.800 7.878 7.705 8.106 6.306 4 5 [*-*+*] 1
236 1 4 G H1 2 11 G H1 . . 1.800 6.217 6.076 6.300 4.500 5 5 [-***+] 1
237 1 4 G H1' 1 4 G Q2 . . 1.800 4.786 4.646 4.954 3.154 1 5 [+*-**] 1
238 1 4 G H1' 1 4 G H4' . . 1.800 3.646 3.162 3.793 1.993 5 5 [-***+] 1
239 1 4 G H1' 1 4 G Q5' . . 1.800 4.049 3.936 4.286 2.486 1 5 [+***-] 1
240 1 4 G H1' 1 4 G H8 . . 1.800 3.476 3.386 3.547 1.747 5 5 [-***+] 1
241 1 4 G H1' 1 5 G H1' . . 1.800 7.184 6.873 7.500 5.700 1 5 [+***-] 1
242 1 4 G H1' 1 5 G H4' . . 1.800 6.438 6.171 6.999 5.199 2 5 [*+**-] 1
243 1 4 G H1' 1 5 G Q5' . . 1.800 4.755 4.578 5.133 3.333 2 5 [*+*-*] 1
244 1 4 G H1' 1 5 G H8 . . 1.800 5.186 4.978 5.306 3.506 2 5 [*+**-] 1
245 1 4 G H1' 1 6 A H2 . . 1.800 4.105 3.695 4.795 2.995 2 5 [*+*-*] 1
246 1 4 G H1' 2 1 G H1' . . 1.800 4.120 3.911 4.462 2.662 1 5 [+***-] 1
247 1 4 G H1' 2 1 G H3' . . 1.800 4.897 4.420 5.273 3.473 5 5 [*-**+] 1
248 1 4 G H1' 2 1 G H4' . . 1.800 4.130 3.926 4.574 2.774 1 5 [+*-**] 1
249 1 4 G H1' 2 1 G Q5' . . 1.800 2.602 2.199 2.845 1.045 1 4 "[+* *-]" 1
250 1 4 G H1' 2 1 G H8 . . 1.800 3.772 3.553 4.076 2.276 2 5 [*+-**] 1
251 1 4 G H1' 2 2 G H8 . . 1.800 6.631 6.224 6.984 5.184 4 5 [*-*+*] 1
252 1 4 G H1' 2 3 A Q6 . . 1.800 3.136 2.563 3.878 2.078 1 5 [+-***] 1
253 1 4 G H1' 2 10 G H1 . . 1.800 6.792 6.374 7.163 5.363 1 5 [+*-**] 1
254 1 4 G H1' 2 11 G H1 . . 1.800 7.499 7.104 8.087 6.287 1 5 [+***-] 1
255 1 4 G Q2 1 5 G H1 . . 1.800 4.576 4.412 4.774 2.974 1 5 [+***-] 1
256 1 4 G Q2 1 5 G H1' . . 1.800 3.421 3.227 3.634 1.834 2 5 [*+**-] 1
257 1 4 G Q2 1 5 G H4' . . 1.800 4.429 4.173 4.608 2.808 3 5 [-*+**] 1
258 1 4 G Q2 1 5 G Q5' . . 1.800 4.751 4.475 4.941 3.141 3 5 [-*+**] 1
259 1 4 G Q2 1 5 G H8 . . 1.800 4.575 4.193 4.975 3.175 2 5 [-+***] 1
260 1 4 G Q2 1 6 A H1' . . 1.800 5.346 4.891 6.006 4.206 5 5 [***-+] 1
261 1 4 G Q2 1 6 A H2 . . 1.800 3.055 2.676 3.466 1.666 5 5 [***-+] 1
262 1 4 G Q2 1 6 A H3' . . 1.800 4.214 3.558 4.694 2.894 2 5 [*+-**] 1
263 1 4 G Q2 1 6 A H8 . . 1.800 5.859 5.417 6.742 4.942 5 5 [***-+] 1
264 1 4 G Q2 1 7 G H8 . . 1.800 2.927 2.839 3.010 1.210 1 5 [+-***] 1
265 1 4 G Q2 2 1 G H8 . . 1.800 4.531 4.387 4.746 2.946 4 5 [***+-] 1
266 1 4 G Q2 2 10 G H1 . . 1.800 3.264 2.979 3.556 1.756 1 5 [+***-] 1
267 1 4 G Q2 2 11 G H1 . . 1.800 5.843 5.503 6.094 4.294 1 5 [+-***] 1
268 1 4 G H4' 1 4 G Q5' . . 1.800 2.471 2.435 2.491 0.691 1 5 [+-***] 1
269 1 4 G H4' 1 4 G H8 . . 1.800 4.293 4.154 4.625 2.825 1 5 [+**-*] 1
270 1 4 G H4' 1 5 G H8 . . 1.800 5.321 5.010 5.626 3.826 1 5 [+-***] 1
271 1 4 G H4' 1 6 A H2 . . 1.800 5.926 5.512 6.134 4.334 2 5 [-+***] 1
272 1 4 G H4' 2 1 G Q5' . . 1.800 3.068 2.696 3.299 1.499 5 5 [*-**+] 1
273 1 4 G H4' 2 1 G H8 . . 1.800 7.137 6.708 7.557 5.757 4 5 [-**+*] 1
274 1 4 G H4' 2 3 A H2 . . 1.800 6.501 5.923 8.103 6.303 1 5 [+***-] 1
275 1 4 G Q5' 1 4 G H8 . . 1.800 2.581 2.227 3.478 1.678 1 3 "[+*- .]" 1
276 1 4 G Q5' 1 5 G Q5' . . 1.800 5.237 4.790 5.510 3.710 3 5 [*-+**] 1
277 1 4 G Q5' 1 5 G H8 . . 1.800 4.111 3.169 4.857 3.057 1 5 [+-***] 1
278 1 4 G Q5' 1 6 A H3' . . 1.800 10.432 9.710 11.187 9.387 1 5 [+*-**] 1
279 1 4 G Q5' 2 3 A H2 . . 1.800 5.542 4.398 7.108 5.308 1 5 [+*-**] 1
280 1 4 G H8 1 5 G H8 . . 1.800 5.546 5.114 5.829 4.029 1 5 [+-***] 1
281 1 4 G H8 1 6 A H2 . . 1.800 6.941 6.424 7.422 5.622 2 5 [*+*-*] 1
282 1 4 G H8 2 1 G H1' . . 1.800 5.404 4.847 6.450 4.650 2 5 [-+***] 1
283 1 4 G H8 2 1 G H3' . . 1.800 7.258 6.394 7.904 6.104 5 5 [-***+] 1
284 1 4 G H8 2 1 G H4' . . 1.800 5.357 4.720 5.991 4.191 2 5 [-+***] 1
285 1 4 G H8 2 1 G Q5' . . 1.800 4.489 3.594 5.208 3.408 5 5 [-***+] 1
286 1 4 G H8 2 1 G H8 . . 1.800 6.578 5.889 7.239 5.439 2 5 [-+***] 1
287 1 4 G H8 2 2 G H4' . . 1.800 8.351 7.953 8.901 7.101 4 5 [**-+*] 1
288 1 4 G H8 2 3 A H2 . . 1.800 5.884 5.573 6.409 4.609 1 5 [+*-**] 1
289 1 4 G H8 2 3 A Q6 . . 1.800 2.429 2.372 2.471 0.671 1 5 [+-***] 1
290 1 5 G H1 1 5 G H1' . . 1.800 5.837 5.819 5.847 4.047 5 5 [*-**+] 1
291 1 5 G H1 1 6 A H2 . . 1.800 8.584 8.022 8.971 7.171 2 5 [*+*-*] 1
292 1 5 G H1 1 6 A H3' . . 1.800 7.827 7.235 8.179 6.379 2 5 [*+-**] 1
293 1 5 G H1 1 7 G H1' . . 1.800 5.905 5.670 6.149 4.349 2 5 [-+***] 1
294 1 5 G H1 1 7 G Q2 . . 1.800 5.060 4.494 5.299 3.499 2 5 [-+***] 1
295 1 5 G H1 1 7 G H3' . . 1.800 8.161 8.102 8.184 6.384 3 5 [**+-*] 1
296 1 5 G H1 1 7 G H8 . . 1.800 5.710 5.497 5.855 4.055 2 5 [*+*-*] 1
297 1 5 G H1 1 8 G H1' . . 1.800 7.700 7.647 7.786 5.986 2 5 [*+-**] 1
298 1 5 G H1 1 8 G Q2 . . 1.800 6.056 6.006 6.086 4.286 5 5 [**-*+] 1
299 1 5 G H1 1 8 G H8 . . 1.800 5.691 5.674 5.726 3.926 2 5 [*+**-] 1
300 1 5 G H1 1 10 G H1 . . 1.800 6.227 6.004 6.408 4.608 4 5 [*-*+*] 1
301 1 5 G H1 1 11 G H1 . . 1.800 5.191 5.029 5.343 3.543 3 5 [**+*-] 1
302 1 5 G H1 2 10 G H1' . . 1.800 8.920 8.719 9.243 7.443 3 5 [**+*-] 1
303 1 5 G H1 3 2 GLN HA . . 1.800 5.770 5.328 6.172 4.372 5 5 [***-+] 1
304 1 5 G H1 3 2 GLN QB . . 1.800 5.121 4.671 5.477 3.677 5 5 [*-**+] 1
305 1 5 G H1 3 2 GLN QG . . 1.800 5.946 5.495 6.251 4.451 5 5 [*-**+] 1
306 1 5 G H1 3 3 TRP HA . . 1.800 3.716 3.173 4.113 2.313 1 5 [+-***] 1
307 1 5 G H1 3 3 TRP HD1 . . 1.800 3.756 3.271 4.127 2.327 2 5 [*+*-*] 1
308 1 5 G H1 3 3 TRP HE1 . . 1.800 5.951 5.542 6.323 4.523 2 5 [*+*-*] 1
309 1 5 G H1 3 3 TRP HE3 . . 1.800 5.691 5.355 5.935 4.135 1 5 [+***-] 1
310 1 5 G H1 3 3 TRP HH2 . . 1.800 8.671 8.615 8.711 6.911 3 5 [-*+**] 1
311 1 5 G H1 3 3 TRP HZ2 . . 1.800 7.786 7.598 7.980 6.180 2 5 [*+*-*] 1
312 1 5 G H1 3 3 TRP HZ3 . . 1.800 7.819 7.579 8.001 6.201 4 5 [***+-] 1
313 1 5 G H1 3 4 ASN HA . . 1.800 7.765 7.316 8.033 6.233 1 5 [+-***] 1
314 1 5 G H1 3 4 ASN QB . . 1.800 7.104 6.782 7.318 5.518 1 5 [+-***] 1
315 1 5 G H1 3 5 LYS QB . . 1.800 9.723 9.270 9.957 8.157 1 5 [+-***] 1
316 1 5 G H1 3 5 LYS QD . . 1.800 8.212 7.627 8.582 6.782 1 5 [+-***] 1
317 1 5 G H1 3 5 LYS QE . . 1.800 7.741 7.060 8.348 6.548 1 5 [+-***] 1
318 1 5 G H1 3 5 LYS QG . . 1.800 8.791 8.237 9.216 7.416 1 5 [+-***] 1
319 1 5 G H1 3 6 PRO QD . . 1.800 7.627 7.087 7.986 6.186 1 5 [+-***] 1
320 1 5 G H1 3 6 PRO QG . . 1.800 9.013 8.510 9.392 7.592 1 5 [+-***] 1
321 1 5 G H1' 1 5 G Q2 . . 1.800 4.136 4.088 4.161 2.361 5 5 [*-**+] 1
322 1 5 G H1' 1 5 G H4' . . 1.800 3.356 3.231 3.420 1.620 4 5 [*-*+*] 1
323 1 5 G H1' 1 5 G Q5' . . 1.800 4.290 4.242 4.311 2.511 5 5 [*-**+] 1
324 1 5 G H1' 1 5 G H8 . . 1.800 3.907 3.880 3.923 2.123 3 5 [-*+**] 1
325 1 5 G H1' 1 6 A H2 . . 1.800 4.321 4.076 4.640 2.840 2 5 [*+*-*] 1
326 1 5 G H1' 1 6 A H3' . . 1.800 4.009 3.173 4.283 2.483 5 5 [**-*+] 1
327 1 5 G H1' 1 6 A H4' . . 1.800 5.745 5.456 6.002 4.202 2 5 [*+-**] 1
328 1 5 G H1' 1 6 A Q5' . . 1.800 2.990 2.875 3.174 1.374 2 5 [*+*-*] 1
329 1 5 G H1' 1 7 G H8 . . 1.800 4.446 4.107 4.730 2.930 3 5 [-*+**] 1
330 1 5 G H1' 2 10 G H1 . . 1.800 7.441 6.909 7.845 6.045 4 5 [***+-] 1
331 1 5 G H1' 3 3 TRP HD1 . . 1.800 8.230 7.962 8.463 6.663 5 5 [***-+] 1
332 1 5 G H1' 3 3 TRP HE1 . . 1.800 10.781 10.491 11.035 9.235 5 5 [***-+] 1
333 1 5 G H1' 3 3 TRP HE3 . . 1.800 10.188 9.906 10.298 8.498 2 5 [-+***] 1
334 1 5 G H1' 3 5 LYS QE . . 1.800 8.269 7.248 9.145 7.345 3 5 [*-+**] 1
335 1 5 G H1' 3 5 LYS QG . . 1.800 10.173 9.283 10.924 9.124 3 5 [*-+**] 1
336 1 5 G Q2 1 7 G H1 . . 1.800 4.355 4.162 4.591 2.791 4 5 [*-*+*] 1
337 1 5 G Q2 1 7 G H1' . . 1.800 3.376 3.215 3.432 1.632 3 5 [-*+**] 1
338 1 5 G Q2 1 7 G H3' . . 1.800 4.670 4.648 4.700 2.900 3 5 [*-+**] 1
339 1 5 G Q2 1 7 G H8 . . 1.800 3.323 3.244 3.463 1.663 1 5 [+**-*] 1
340 1 5 G Q2 1 8 G H8 . . 1.800 3.297 3.246 3.369 1.569 3 5 [**+*-] 1
341 1 5 G Q2 3 3 TRP HD1 . . 1.800 5.451 4.986 5.706 3.906 2 5 [*+*-*] 1
342 1 5 G Q2 3 4 ASN HA . . 1.800 7.146 6.475 7.511 5.711 3 5 [*-+**] 1
343 1 5 G H3' 1 5 G H8 . . 1.800 4.653 4.552 4.721 2.921 1 5 [+-***] 1
344 1 5 G H3' 3 3 TRP HD1 . . 1.800 10.683 10.432 10.838 9.038 5 5 [-***+] 1
345 1 5 G H3' 3 4 ASN HA . . 1.800 10.790 9.918 11.265 9.465 2 5 [-+***] 1
346 1 5 G H3' 3 5 LYS QD . . 1.800 9.522 9.180 10.057 8.257 3 5 [*-+**] 1
347 1 5 G H3' 3 5 LYS QE . . 1.800 8.315 7.507 9.207 7.407 3 5 [*-+**] 1
348 1 5 G H3' 3 5 LYS QG . . 1.800 10.447 9.660 11.298 9.498 3 5 [*-+**] 1
349 1 5 G H4' 1 5 G Q5' . . 1.800 2.163 2.158 2.168 0.368 2 0 "[ .]" 1
350 1 5 G H4' 1 6 A H2 . . 1.800 2.722 2.566 2.805 1.005 4 5 [-**+*] 1
351 1 5 G H4' 1 6 A H3' . . 1.800 4.934 4.277 5.256 3.456 5 5 [**-*+] 1
352 1 5 G H4' 1 7 G H8 . . 1.800 6.512 6.211 6.801 5.001 3 5 [-*+**] 1
353 1 5 G H4' 2 1 G H8 . . 1.800 7.139 6.485 7.580 5.780 4 5 [***+-] 1
354 1 5 G H4' 2 10 G H1 . . 1.800 8.669 8.229 9.141 7.341 4 5 [***+-] 1
355 1 5 G Q5' 1 5 G H8 . . 1.800 3.730 3.608 3.963 2.163 2 5 [*+*-*] 1
356 1 5 G Q5' 1 6 A H2 . . 1.800 2.483 2.252 2.713 0.913 3 4 "[- +**]" 1
357 1 5 G Q5' 1 6 A H4' . . 1.800 6.529 6.269 6.710 4.910 5 5 [*-**+] 1
358 1 5 G Q5' 1 6 A Q5' . . 1.800 3.840 3.614 4.052 2.252 5 5 [*-**+] 1
359 1 5 G Q5' 1 6 A H8 . . 1.800 8.052 7.905 8.217 6.417 3 5 [*-+**] 1
360 1 5 G H8 1 6 A H2 . . 1.800 4.589 4.047 5.199 3.399 2 5 [*+*-*] 1
361 1 5 G H8 2 10 G H1 . . 1.800 8.232 7.968 8.591 6.791 2 5 [*+**-] 1
362 1 5 G H8 3 2 GLN HA . . 1.800 4.224 3.733 5.096 3.296 5 5 [-***+] 1
363 1 5 G H8 3 2 GLN QG . . 1.800 7.035 6.496 7.836 6.036 5 5 [*-**+] 1
364 1 5 G H8 3 3 TRP QB . . 1.800 6.560 6.234 6.748 4.948 4 5 [-**+*] 1
365 1 5 G H8 3 3 TRP HD1 . . 1.800 7.073 6.792 7.242 5.442 5 5 [-***+] 1
366 1 5 G H8 3 3 TRP HE3 . . 1.800 10.561 10.027 10.900 9.100 2 5 [-+***] 1
367 1 5 G H8 3 4 ASN QB . . 1.800 9.982 9.364 10.590 8.790 2 5 [-+***] 1
368 1 5 G H8 3 4 ASN QD . . 1.800 11.326 10.852 11.585 9.785 2 5 [-+***] 1
369 1 5 G H8 3 5 LYS QB . . 1.800 10.521 10.288 10.946 9.146 3 5 [**+-*] 1
370 1 5 G H8 3 5 LYS QD . . 1.800 8.560 8.309 8.827 7.027 3 5 [-*+**] 1
371 1 5 G H8 3 5 LYS QE . . 1.800 6.921 6.561 7.477 5.677 3 5 [**+-*] 1
372 1 5 G H8 3 5 LYS QG . . 1.800 8.744 8.338 9.348 7.548 3 5 [**+-*] 1
373 1 5 G H8 3 6 PRO QG . . 1.800 11.850 11.140 12.376 10.576 3 5 [*-+**] 1
374 1 6 A H1' 1 6 A H2 . . 1.800 6.195 6.180 6.203 4.403 2 5 [-+***] 1
375 1 6 A H1' 1 6 A H3' . . 1.800 3.822 3.737 3.974 2.174 3 5 [*-+**] 1
376 1 6 A H1' 1 6 A H4' . . 1.800 3.392 3.255 3.453 1.653 4 5 [***+-] 1
377 1 6 A H1' 1 6 A H8 . . 1.800 2.549 2.533 2.569 0.769 1 5 [+-***] 1
378 1 6 A H1' 1 7 G Q5' . . 1.800 4.802 4.153 5.904 4.104 5 5 [**-*+] 1
379 1 6 A H1' 1 7 G H8 . . 1.800 5.065 4.729 6.025 4.225 5 5 [**-*+] 1
380 1 6 A H1' 2 10 G H1 . . 1.800 7.238 7.016 7.654 5.854 5 5 [**-*+] 1
381 1 6 A H1' 2 10 G H1' . . 1.800 4.203 3.732 5.174 3.374 5 5 [**-*+] 1
382 1 6 A H1' 2 10 G H3' . . 1.800 6.468 5.867 7.016 5.216 4 5 [*-*+*] 1
383 1 6 A H1' 2 11 G H1' . . 1.800 6.219 5.515 6.486 4.686 3 5 [**+*-] 1
384 1 6 A H1' 2 11 G H3' . . 1.800 6.892 6.414 7.296 5.496 2 5 [*+**-] 1
385 1 6 A H1' 2 11 G H4' . . 1.800 4.713 3.823 5.159 3.359 2 5 [*+**-] 1
386 1 6 A H1' 2 11 G Q5' . . 1.800 3.498 3.084 3.761 1.961 2 5 [-+***] 1
387 1 6 A H1' 2 11 G H8 . . 1.800 6.583 6.362 6.823 5.023 3 5 [**+*-] 1
388 1 6 A H1' 2 12 A H1' . . 1.800 7.202 6.630 7.761 5.961 5 5 [***-+] 1
389 1 6 A H1' 2 12 A Q5' . . 1.800 6.306 5.335 6.925 5.125 5 5 [***-+] 1
390 1 6 A H1' 2 12 A H8 . . 1.800 9.435 8.451 10.360 8.560 2 5 [*+*-*] 1
391 1 6 A H2 1 6 A H3' . . 1.800 5.668 4.706 6.064 4.264 2 5 [*+-**] 1
392 1 6 A H2 1 6 A H4' . . 1.800 6.291 6.166 6.384 4.584 5 5 [-***+] 1
393 1 6 A H2 1 6 A Q5' . . 1.800 3.448 3.330 3.567 1.767 2 5 [*+-**] 1
394 1 6 A H2 1 7 G H8 . . 1.800 6.346 6.090 6.698 4.898 5 5 [-***+] 1
395 1 6 A H2 2 1 G Q5' . . 1.800 4.852 3.564 6.136 4.336 1 5 [+***-] 1
396 1 6 A H2 2 1 G H8 . . 1.800 4.512 3.895 5.011 3.211 4 5 [***+-] 1
397 1 6 A H2 2 10 G H1 . . 1.800 6.762 6.414 6.975 5.175 1 5 [+*-**] 1
398 1 6 A H2 2 11 G H1' . . 1.800 9.022 8.052 9.608 7.808 1 5 [+***-] 1
399 1 6 A H2 2 12 A H1' . . 1.800 8.154 7.770 8.547 6.747 3 5 [**+-*] 1
400 1 6 A H2 2 12 A H2 . . 1.800 10.491 9.653 10.938 9.138 3 5 [*-+**] 1
401 1 6 A H2 2 12 A H4' . . 1.800 7.750 7.533 8.024 6.224 2 5 [*+*-*] 1
402 1 6 A H2 2 12 A H8 . . 1.800 11.151 10.852 11.679 9.879 2 5 [*+**-] 1
403 1 6 A H3' 1 6 A H4' . . 1.800 2.779 2.731 2.866 1.066 3 5 [-*+**] 1
404 1 6 A H3' 1 6 A Q5' . . 1.800 2.328 2.120 2.492 0.692 1 3 "[+* -.]" 1
405 1 6 A H3' 1 6 A H8 . . 1.800 6.030 5.970 6.119 4.319 4 5 [**-+*] 1
406 1 6 A H3' 1 7 G H1' . . 1.800 5.932 5.637 6.280 4.480 3 5 [-*+**] 1
407 1 6 A H3' 1 7 G H3' . . 1.800 4.823 4.390 5.476 3.676 3 5 [*-+**] 1
408 1 6 A H3' 1 7 G H4' . . 1.800 6.076 5.722 6.835 5.035 3 5 [-*+**] 1
409 1 6 A H3' 1 7 G Q5' . . 1.800 4.101 3.828 4.394 2.594 3 5 [-*+**] 1
410 1 6 A H3' 1 7 G H8 . . 1.800 2.930 2.733 3.263 1.463 2 5 [*+**-] 1
411 1 6 A H3' 1 8 G H8 . . 1.800 7.628 7.469 7.860 6.060 3 5 [*-+**] 1
412 1 6 A H3' 2 10 G H1' . . 1.800 4.690 3.737 5.451 3.651 3 5 [**+*-] 1
413 1 6 A H4' 1 6 A Q5' . . 1.800 2.503 2.486 2.530 0.730 4 5 [-**+*] 1
414 1 6 A H4' 1 6 A H8 . . 1.800 5.696 5.662 5.748 3.948 1 5 [+**-*] 1
415 1 6 A H4' 1 7 G H3' . . 1.800 6.390 6.084 6.593 4.793 4 5 [**-+*] 1
416 1 6 A H4' 1 7 G Q5' . . 1.800 5.103 4.803 5.226 3.426 4 5 [**-+*] 1
417 1 6 A H4' 1 7 G H8 . . 1.800 5.476 5.212 5.815 4.015 2 5 [*+-**] 1
418 1 6 A H4' 2 10 G H1' . . 1.800 6.078 5.684 6.519 4.719 4 5 [***+-] 1
419 1 6 A H4' 2 12 A H1' . . 1.800 10.173 9.596 10.683 8.883 3 5 [**+-*] 1
420 1 6 A H4' 2 12 A Q5' . . 1.800 8.557 7.458 9.661 7.861 5 5 [***-+] 1
421 1 6 A Q5' 1 7 G H3' . . 1.800 6.385 5.730 6.901 5.101 3 5 [**+*-] 1
422 1 6 A Q5' 1 7 G H8 . . 1.800 4.263 3.926 4.762 2.962 3 5 [-*+**] 1
423 1 6 A H8 1 7 G H8 . . 1.800 6.649 6.274 7.722 5.922 5 5 [*-**+] 1
424 1 6 A H8 2 1 G H8 . . 1.800 5.843 5.332 6.338 4.538 2 5 [*+*-*] 1
425 1 6 A H8 2 10 G H1 . . 1.800 6.883 6.464 7.780 5.980 5 5 [-***+] 1
426 1 6 A H8 2 10 G H1' . . 1.800 5.421 4.851 6.800 5.000 5 5 [**-*+] 1
427 1 6 A H8 2 10 G H8 . . 1.800 8.477 7.870 9.581 7.781 5 5 [*-**+] 1
428 1 6 A H8 2 11 G H1' . . 1.800 3.997 3.630 4.262 2.462 3 5 [**+*-] 1
429 1 6 A H8 2 11 G H3' . . 1.800 5.311 4.967 5.492 3.692 2 5 [*+**-] 1
430 1 6 A H8 2 11 G H4' . . 1.800 2.890 2.487 3.218 1.418 2 5 [*+**-] 1
431 1 6 A H8 2 11 G Q5' . . 1.800 3.019 2.546 3.822 2.022 5 5 [-***+] 1
432 1 6 A H8 2 11 G H8 . . 1.800 5.590 5.003 5.909 4.109 5 5 [*-**+] 1
433 1 6 A H8 2 12 A H1' . . 1.800 4.847 4.156 5.732 3.932 5 5 [-***+] 1
434 1 6 A H8 2 12 A H2 . . 1.800 9.126 8.595 10.114 8.314 5 5 [-***+] 1
435 1 6 A H8 2 12 A Q5' . . 1.800 4.394 3.596 4.976 3.176 2 5 [*+*-*] 1
436 1 6 A H8 2 12 A H8 . . 1.800 6.948 6.008 7.854 6.054 2 5 [*+*-*] 1
437 1 7 G H1 1 7 G H1' . . 1.800 5.783 5.744 5.844 4.044 4 5 [*-*+*] 1
438 1 7 G H1 1 8 G H1' . . 1.800 7.288 6.949 7.851 6.051 1 5 [+-***] 1
439 1 7 G H1 1 8 G Q5' . . 1.800 8.060 7.718 8.398 6.598 4 5 [*-*+*] 1
440 1 7 G H1 1 8 G H8 . . 1.800 6.678 6.247 7.019 5.219 1 5 [+-***] 1
441 1 7 G H1 1 9 A H2 . . 1.800 9.829 9.787 9.857 8.057 5 5 [-***+] 1
442 1 7 G H1 1 9 A H3' . . 1.800 8.425 8.254 8.718 6.918 1 5 [+-***] 1
443 1 7 G H1 1 9 A Q6 . . 1.800 4.746 4.707 4.774 2.974 5 5 [**-*+] 1
444 1 7 G H1 1 10 G H1 . . 1.800 4.142 4.098 4.185 2.385 1 5 [+**-*] 1
445 1 7 G H1 1 10 G H1' . . 1.800 7.435 7.299 7.540 5.740 2 5 [-+***] 1
446 1 7 G H1 1 10 G H8 . . 1.800 5.510 5.480 5.540 3.740 4 5 [**-+*] 1
447 1 7 G H1 1 11 G H1 . . 1.800 5.591 5.194 6.495 4.695 2 5 [-+***] 1
448 1 7 G H1' 1 7 G Q2 . . 1.800 4.173 4.108 4.244 2.444 4 5 [-**+*] 1
449 1 7 G H1' 1 7 G H3' . . 1.800 3.624 3.597 3.647 1.847 3 5 [*-+**] 1
450 1 7 G H1' 1 7 G H4' . . 1.800 3.177 3.044 3.372 1.572 3 5 [*-+**] 1
451 1 7 G H1' 1 7 G Q5' . . 1.800 4.109 3.900 4.228 2.428 5 5 [**-*+] 1
452 1 7 G H1' 1 7 G H8 . . 1.800 3.873 3.866 3.879 2.079 2 5 [*+-**] 1
453 1 7 G H1' 1 8 G H3' . . 1.800 6.464 6.312 6.684 4.884 1 5 [+*-**] 1
454 1 7 G H1' 1 8 G H4' . . 1.800 5.785 5.601 6.001 4.201 1 5 [+*-**] 1
455 1 7 G H1' 1 8 G Q5' . . 1.800 3.788 3.544 4.007 2.207 4 5 [*-*+*] 1
456 1 7 G H1' 1 8 G H8 . . 1.800 3.045 2.631 3.491 1.691 1 5 [+***-] 1
457 1 7 G H1' 1 9 A Q6 . . 1.800 2.272 2.185 2.397 0.597 3 1 "[ + .]" 1
458 1 7 G H1' 2 10 G H1 . . 1.800 7.487 7.348 7.653 5.853 1 5 [+**-*] 1
459 1 7 G H1' 2 10 G H1' . . 1.800 5.043 4.589 5.526 3.726 3 5 [*-+**] 1
460 1 7 G H1' 2 10 G H3' . . 1.800 8.199 7.597 8.573 6.773 3 5 [**+*-] 1
461 1 7 G H1' 2 10 G H8 . . 1.800 4.525 4.368 4.707 2.907 4 5 [*-*+*] 1
462 1 7 G H1' 3 3 TRP HE3 . . 1.800 8.954 8.351 9.630 7.830 1 5 [+***-] 1
463 1 7 G Q2 1 8 G H1 . . 1.800 3.581 3.336 3.880 2.080 2 5 [-+***] 1
464 1 7 G Q2 1 8 G H1' . . 1.800 4.472 4.228 4.870 3.070 1 5 [+*-**] 1
465 1 7 G Q2 1 8 G H4' . . 1.800 5.619 5.366 5.845 4.045 4 5 [*-*+*] 1
466 1 7 G Q2 1 8 G H8 . . 1.800 4.884 4.520 5.182 3.382 4 5 [*-*+*] 1
467 1 7 G Q2 1 9 A H1' . . 1.800 5.950 5.912 5.980 4.180 3 5 [**+-*] 1
468 1 7 G Q2 1 9 A H2 . . 1.800 6.429 6.392 6.472 4.672 2 5 [-+***] 1
469 1 7 G Q2 1 9 A H3' . . 1.800 5.230 5.048 5.470 3.670 1 5 [+-***] 1
470 1 7 G Q2 1 9 A Q5' . . 1.800 5.939 5.816 6.136 4.336 1 5 [+-***] 1
471 1 7 G Q2 1 9 A Q6 . . 1.800 2.610 2.565 2.671 0.871 2 5 [-+***] 1
472 1 7 G Q2 1 9 A H8 . . 1.800 3.080 3.043 3.117 1.317 1 5 [+**-*] 1
473 1 7 G Q2 1 10 G H1 . . 1.800 4.990 4.940 5.020 3.220 2 5 [*+*-*] 1
474 1 7 G Q2 1 10 G H1' . . 1.800 5.808 5.666 5.975 4.175 2 5 [-+***] 1
475 1 7 G Q2 1 10 G H8 . . 1.800 3.284 3.207 3.367 1.567 2 5 [-+***] 1
476 1 7 G H3' 1 7 G H4' . . 1.800 2.769 2.726 2.799 0.999 2 5 [*+-**] 1
477 1 7 G H3' 1 7 G Q5' . . 1.800 2.836 2.457 3.139 1.339 3 5 [**+*-] 1
478 1 7 G H3' 1 7 G H8 . . 1.800 4.743 4.704 4.807 3.007 2 5 [*+-**] 1
479 1 7 G H3' 1 8 G H4' . . 1.800 7.215 7.182 7.277 5.477 1 5 [+**-*] 1
480 1 7 G H3' 1 8 G Q5' . . 1.800 4.637 4.551 4.682 2.882 1 5 [+-***] 1
481 1 7 G H3' 1 8 G H8 . . 1.800 4.480 4.295 4.677 2.877 1 5 [+***-] 1
482 1 7 G H3' 1 9 A H2 . . 1.800 7.201 7.087 7.378 5.578 3 5 [*-+**] 1
483 1 7 G H3' 1 9 A Q6 . . 1.800 4.747 4.638 4.861 3.061 3 5 [**+*-] 1
484 1 7 G H3' 2 10 G H1' . . 1.800 5.633 5.069 6.039 4.239 4 5 [***+-] 1
485 1 7 G H3' 2 10 G H3' . . 1.800 9.011 8.595 9.310 7.510 4 5 [***+-] 1
486 1 7 G H4' 1 7 G Q5' . . 1.800 2.167 2.152 2.198 0.398 3 0 "[ .]" 1
487 1 7 G H4' 1 7 G H8 . . 1.800 5.204 5.173 5.236 3.436 2 5 [*+-**] 1
488 1 7 G H4' 1 8 G H4' . . 1.800 6.170 6.009 6.302 4.502 1 5 [+-***] 1
489 1 7 G H4' 1 8 G Q5' . . 1.800 3.522 3.335 3.622 1.822 1 5 [+-***] 1
490 1 7 G H4' 1 8 G H8 . . 1.800 5.195 4.823 5.528 3.728 1 5 [+***-] 1
491 1 7 G H4' 1 9 A H2 . . 1.800 4.831 4.612 5.004 3.204 3 5 [*-+**] 1
492 1 7 G H4' 2 9 A H3' . . 1.800 7.424 7.116 7.643 5.843 3 5 [**+*-] 1
493 1 7 G H4' 2 9 A H8 . . 1.800 6.360 6.067 6.691 4.891 3 5 [**+*-] 1
494 1 7 G H4' 2 10 G H1' . . 1.800 4.447 4.064 4.813 3.013 3 5 [**+*-] 1
495 1 7 G H4' 2 10 G H3' . . 1.800 7.013 6.680 7.145 5.345 2 5 [*+**-] 1
496 1 7 G H4' 2 10 G H8 . . 1.800 4.745 4.582 4.923 3.123 3 5 [**+*-] 1
497 1 7 G Q5' 1 7 G H8 . . 1.800 3.965 3.142 4.424 2.624 5 5 [**-*+] 1
498 1 7 G Q5' 2 10 G H1' . . 1.800 2.497 2.316 2.735 0.935 4 5 [*-*+*] 1
499 1 7 G H8 1 8 G H8 . . 1.800 6.023 5.709 6.392 4.592 1 5 [+***-] 1
500 1 7 G H8 1 9 A Q6 . . 1.800 4.634 4.570 4.705 2.905 4 5 [*-*+*] 1
501 1 7 G H8 2 10 G H1 . . 1.800 5.207 4.884 5.620 3.820 1 5 [+***-] 1
502 1 7 G H8 2 10 G H1' . . 1.800 3.721 3.322 4.193 2.393 4 5 [*-*+*] 1
503 1 7 G H8 2 10 G H8 . . 1.800 5.507 5.253 5.989 4.189 4 5 [*-*+*] 1
504 1 7 G H8 2 11 G H8 . . 1.800 7.945 7.476 8.343 6.543 1 5 [+***-] 1
505 1 8 G H1 1 8 G H1' . . 1.800 5.926 5.892 5.963 4.163 2 5 [*+*-*] 1
506 1 8 G H1 1 10 G H1 . . 1.800 4.568 4.108 5.043 3.243 1 5 [+-***] 1
507 1 8 G H1 1 10 G H8 . . 1.800 5.155 4.445 5.454 3.654 2 5 [-+***] 1
508 1 8 G H1 1 11 G H1 . . 1.800 4.379 4.191 4.896 3.096 2 5 [*+*-*] 1
509 1 8 G H1 1 11 G H3' . . 1.800 8.909 8.387 9.182 7.382 1 5 [+-***] 1
510 1 8 G H1 1 11 G H8 . . 1.800 4.712 3.985 5.019 3.219 3 5 [*-+**] 1
511 1 8 G H1 1 12 A H8 . . 1.800 10.976 10.728 11.142 9.342 5 5 [-***+] 1
512 1 8 G H1 3 2 GLN HA . . 1.800 8.694 8.342 9.156 7.356 2 5 [*+*-*] 1
513 1 8 G H1 3 2 GLN QB . . 1.800 6.858 6.671 7.066 5.266 2 5 [*+*-*] 1
514 1 8 G H1 3 2 GLN QG . . 1.800 6.862 6.593 7.159 5.359 4 5 [***+-] 1
515 1 8 G H1 3 3 TRP HA . . 1.800 6.469 5.811 6.905 5.105 1 5 [+-***] 1
516 1 8 G H1 3 3 TRP HD1 . . 1.800 4.911 4.635 5.201 3.401 2 5 [*+*-*] 1
517 1 8 G H1 3 3 TRP HE1 . . 1.800 5.284 5.013 5.697 3.897 2 5 [*+*-*] 1
518 1 8 G H1 3 3 TRP HE3 . . 1.800 4.517 3.215 5.399 3.599 1 5 [+-***] 1
519 1 8 G H1 3 3 TRP HH2 . . 1.800 5.913 5.447 6.308 4.508 4 5 [*-*+*] 1
520 1 8 G H1 3 3 TRP HZ2 . . 1.800 5.585 5.477 5.665 3.865 2 5 [*+**-] 1
521 1 8 G H1 3 3 TRP HZ3 . . 1.800 5.470 4.308 6.176 4.376 1 5 [+-***] 1
522 1 8 G H1 3 4 ASN QB . . 1.800 7.434 6.273 8.093 6.293 1 5 [+-***] 1
523 1 8 G H1 3 4 ASN QD . . 1.800 6.509 5.894 7.243 5.443 4 5 [*-*+*] 1
524 1 8 G H1 3 5 LYS HA . . 1.800 9.443 9.021 9.801 8.001 4 5 [*-*+*] 1
525 1 8 G H1 3 5 LYS QB . . 1.800 10.258 9.742 10.644 8.844 4 5 [*-*+*] 1
526 1 8 G H1 3 5 LYS QG . . 1.800 9.975 9.513 10.281 8.481 1 5 [+-***] 1
527 1 8 G H1' 1 8 G H3' . . 1.800 3.736 3.699 3.792 1.992 2 5 [*+**-] 1
528 1 8 G H1' 1 8 G H4' . . 1.800 3.213 3.162 3.266 1.466 2 5 [*+*-*] 1
529 1 8 G H1' 1 8 G Q5' . . 1.800 4.182 4.171 4.194 2.394 2 5 [*+*-*] 1
530 1 8 G H1' 1 8 G H8 . . 1.800 3.898 3.885 3.916 2.116 5 5 [***-+] 1
531 1 8 G H1' 1 9 A H2 . . 1.800 6.847 6.408 7.036 5.236 2 5 [*+*-*] 1
532 1 8 G H1' 1 9 A H3' . . 1.800 3.806 3.688 3.906 2.106 5 5 [*-**+] 1
533 1 8 G H1' 1 9 A H4' . . 1.800 5.254 5.065 5.443 3.643 2 5 [-+***] 1
534 1 8 G H1' 1 9 A Q5' . . 1.800 2.796 2.613 2.994 1.194 3 5 [-*+**] 1
535 1 8 G H1' 1 9 A H8 . . 1.800 3.798 3.677 3.863 2.063 4 5 [**-+*] 1
536 1 8 G H1' 1 10 G H1 . . 1.800 9.965 9.449 10.565 8.765 1 5 [+-***] 1
537 1 8 G H1' 1 10 G H8 . . 1.800 6.017 5.719 6.430 4.630 4 5 [*-*+*] 1
538 1 8 G H1' 3 3 TRP QB . . 1.800 6.487 6.065 6.880 5.080 1 5 [+-***] 1
539 1 8 G H1' 3 3 TRP HD1 . . 1.800 9.831 9.387 10.016 8.216 1 5 [+**-*] 1
540 1 8 G H1' 3 12 ASN QB . . 1.800 6.193 5.510 7.174 5.374 4 5 [*-*+*] 1
541 1 8 G Q2 1 10 G H1 . . 1.800 5.330 4.936 5.984 4.184 1 5 [+-***] 1
542 1 8 G Q2 1 11 G H8 . . 1.800 2.832 2.267 3.042 1.242 1 4 "[+ **-]" 1
543 1 8 G H3' 1 8 G H4' . . 1.800 2.782 2.769 2.791 0.991 3 5 [-*+**] 1
544 1 8 G H3' 1 8 G Q5' . . 1.800 2.739 2.714 2.764 0.964 5 5 [***-+] 1
545 1 8 G H3' 1 8 G H8 . . 1.800 4.596 4.516 4.691 2.891 5 5 [*-**+] 1
546 1 8 G H3' 1 9 A H2 . . 1.800 6.352 6.135 6.497 4.697 3 5 [**+-*] 1
547 1 8 G H3' 1 9 A Q5' . . 1.800 4.403 4.349 4.432 2.632 5 5 [*-**+] 1
548 1 8 G H3' 1 9 A Q6 . . 1.800 6.488 6.391 6.610 4.810 1 5 [+-***] 1
549 1 8 G H3' 3 3 TRP HZ3 . . 1.800 10.034 9.232 11.062 9.262 1 5 [+***-] 1
550 1 8 G H3' 3 10 LYS QD . . 1.800 4.704 4.142 5.468 3.668 5 5 [*-**+] 1
551 1 8 G H3' 3 10 LYS QE . . 1.800 4.432 3.550 6.310 4.510 5 5 [*-**+] 1
552 1 8 G H4' 1 8 G Q5' . . 1.800 2.171 2.165 2.177 0.377 4 0 "[ .]" 1
553 1 8 G H4' 1 8 G H8 . . 1.800 5.026 4.829 5.150 3.350 1 5 [+-***] 1
554 1 8 G H4' 1 9 A H1' . . 1.800 3.762 3.631 3.860 2.060 4 5 [-**+*] 1
555 1 8 G H4' 1 9 A H2 . . 1.800 4.195 3.881 4.299 2.499 3 5 [**+-*] 1
556 1 8 G H4' 1 9 A H3' . . 1.800 4.771 4.465 4.991 3.191 4 5 [*-*+*] 1
557 1 8 G H4' 1 9 A H4' . . 1.800 4.453 4.297 4.562 2.762 3 5 [-*+**] 1
558 1 8 G H4' 1 9 A Q5' . . 1.800 3.750 3.600 3.888 2.088 4 5 [*-*+*] 1
559 1 8 G H4' 1 9 A Q6 . . 1.800 5.050 4.897 5.204 3.404 1 5 [+*-**] 1
560 1 8 G H4' 1 9 A H8 . . 1.800 4.716 4.540 5.032 3.232 4 5 [**-+*] 1
561 1 8 G H4' 1 10 G H8 . . 1.800 7.577 7.420 7.981 6.181 4 5 [**-+*] 1
562 1 8 G Q5' 1 8 G H8 . . 1.800 3.909 3.563 4.117 2.317 4 5 [*-*+*] 1
563 1 8 G Q5' 1 9 A H1' . . 1.800 4.882 4.741 5.064 3.264 4 5 [-**+*] 1
564 1 8 G Q5' 1 9 A H2 . . 1.800 3.138 2.914 3.332 1.532 3 5 [**+-*] 1
565 1 8 G Q5' 1 9 A H3' . . 1.800 6.185 5.911 6.399 4.599 4 5 [*-*+*] 1
566 1 8 G Q5' 1 9 A Q6 . . 1.800 3.455 3.300 3.626 1.826 4 5 [*-*+*] 1
567 1 8 G Q5' 1 9 A H8 . . 1.800 5.513 5.345 5.860 4.060 4 5 [-**+*] 1
568 1 8 G H8 1 9 A H2 . . 1.800 7.223 6.857 7.650 5.850 3 5 [**+*-] 1
569 1 8 G H8 1 9 A H3' . . 1.800 7.482 7.263 7.636 5.836 3 5 [*-+**] 1
570 1 8 G H8 1 9 A Q5' . . 1.800 6.369 6.251 6.508 4.708 3 5 [-*+**] 1
571 1 8 G H8 1 9 A Q6 . . 1.800 4.400 3.961 4.703 2.903 1 5 [+***-] 1
572 1 8 G H8 2 10 G H1' . . 1.800 7.981 7.198 8.599 6.799 3 5 [**+*-] 1
573 1 8 G H8 3 2 GLN HA . . 1.800 10.533 10.069 11.063 9.263 5 5 [*-**+] 1
574 1 8 G H8 3 2 GLN QB . . 1.800 9.711 9.235 10.050 8.250 5 5 [*-**+] 1
575 1 8 G H8 3 2 GLN QG . . 1.800 9.684 9.454 9.930 8.130 5 5 [*-**+] 1
576 1 8 G H8 3 3 TRP HA . . 1.800 6.487 5.731 6.844 5.044 5 5 [*-**+] 1
577 1 8 G H8 3 3 TRP QB . . 1.800 5.164 4.893 5.343 3.543 1 5 [+**-*] 1
578 1 8 G H8 3 3 TRP HD1 . . 1.800 8.665 8.180 8.852 7.052 5 5 [***-+] 1
579 1 8 G H8 3 3 TRP HE3 . . 1.800 6.723 6.219 7.203 5.403 1 5 [+-***] 1
580 1 8 G H8 3 3 TRP HH2 . . 1.800 10.414 10.383 10.456 8.656 1 5 [+-***] 1
581 1 8 G H8 3 3 TRP HZ2 . . 1.800 10.867 10.657 11.025 9.225 5 5 [***-+] 1
582 1 8 G H8 3 3 TRP HZ3 . . 1.800 8.525 8.150 8.863 7.063 1 5 [+-***] 1
583 1 8 G H8 3 4 ASN HA . . 1.800 8.470 7.034 8.992 7.192 3 5 [*-+**] 1
584 1 8 G H8 3 4 ASN QB . . 1.800 6.490 5.422 6.882 5.082 3 5 [*-+**] 1
585 1 8 G H8 3 5 LYS QB . . 1.800 11.424 10.363 11.736 9.936 1 5 [+-***] 1
586 1 8 G H8 3 5 LYS QD . . 1.800 9.838 8.451 10.481 8.681 1 5 [+-***] 1
587 1 8 G H8 3 5 LYS QG . . 1.800 11.331 10.170 11.886 10.086 1 5 [+-***] 1
588 1 8 G H8 3 6 PRO QG . . 1.800 11.500 11.116 11.770 9.970 1 5 [+-***] 1
589 1 8 G H8 3 10 LYS QG . . 1.800 7.419 6.065 8.075 6.275 1 5 [+***-] 1
590 1 9 A H1' 1 9 A H3' . . 1.800 3.781 3.743 3.811 2.011 1 5 [+-***] 1
591 1 9 A H1' 1 9 A H4' . . 1.800 2.994 2.891 3.061 1.261 2 5 [-+***] 1
592 1 9 A H1' 1 9 A Q5' . . 1.800 4.323 4.281 4.356 2.556 2 5 [-+***] 1
593 1 9 A H1' 1 9 A H8 . . 1.800 3.867 3.845 3.887 2.087 1 5 [+**-*] 1
594 1 9 A H1' 1 10 G H3' . . 1.800 8.623 8.365 8.733 6.933 3 5 [-*+**] 1
595 1 9 A H1' 1 10 G H8 . . 1.800 6.340 6.136 6.564 4.764 2 5 [-+***] 1
596 1 9 A H1' 2 9 A H2 . . 1.800 3.495 3.403 3.570 1.770 4 5 [-**+*] 1
597 1 9 A H2 1 9 A Q5' . . 1.800 7.186 7.060 7.274 5.474 3 5 [**+-*] 1
598 1 9 A H2 2 9 A H1' . . 1.800 3.209 2.846 3.584 1.784 3 5 [*-+**] 1
599 1 9 A H2 2 9 A H3' . . 1.800 5.483 5.409 5.690 3.890 2 5 [*+-**] 1
600 1 9 A H2 2 9 A H4' . . 1.800 5.657 5.396 5.972 4.172 4 5 [-**+*] 1
601 1 9 A H2 2 10 G H1' . . 1.800 7.828 7.522 8.005 6.205 3 5 [*-+**] 1
602 1 9 A H2 2 10 G H3' . . 1.800 8.452 8.227 8.647 6.847 2 5 [*+-**] 1
603 1 9 A H2 2 10 G H8 . . 1.800 5.667 5.559 5.810 4.010 5 5 [-***+] 1
604 1 9 A H3' 1 9 A H4' . . 1.800 3.039 3.034 3.043 1.243 1 5 [+-***] 1
605 1 9 A H3' 1 9 A Q5' . . 1.800 2.373 2.334 2.414 0.614 1 5 [+-***] 1
606 1 9 A H3' 1 9 A H8 . . 1.800 2.578 2.457 2.716 0.916 1 5 [+*-**] 1
607 1 9 A H3' 1 10 G H3' . . 1.800 5.231 5.063 5.324 3.524 3 5 [-*+**] 1
608 1 9 A H3' 1 10 G H8 . . 1.800 4.366 4.252 4.617 2.817 4 5 [*-*+*] 1
609 1 9 A H3' 2 7 G H4' . . 1.800 7.320 6.875 8.311 6.511 4 5 [*-*+*] 1
610 1 9 A H3' 2 9 A H2 . . 1.800 5.259 5.155 5.436 3.636 1 5 [+*-**] 1
611 1 9 A H4' 1 9 A Q5' . . 1.800 2.403 2.379 2.427 0.627 1 5 [+-***] 1
612 1 9 A H4' 1 9 A H8 . . 1.800 4.917 4.874 4.956 3.156 4 5 [**-+*] 1
613 1 9 A H4' 2 9 A H2 . . 1.800 5.382 5.292 5.493 3.693 5 5 [-***+] 1
614 1 9 A H4' 3 9 PRO QB . . 1.800 10.122 9.473 10.631 8.831 5 5 [-***+] 1
615 1 9 A H4' 3 10 LYS QD . . 1.800 5.728 5.074 6.673 4.873 4 5 [***+-] 1
616 1 9 A H4' 3 10 LYS QE . . 1.800 6.643 6.102 7.220 5.420 4 5 [-**+*] 1
617 1 9 A Q5' 1 9 A H8 . . 1.800 4.148 4.050 4.266 2.466 4 5 [***+-] 1
618 1 9 A Q5' 1 10 G H8 . . 1.800 6.022 5.851 6.338 4.538 4 5 [*-*+*] 1
619 1 9 A Q5' 3 10 LYS QE . . 1.800 4.320 4.053 4.548 2.748 4 5 [***+-] 1
620 1 9 A Q5' 3 12 ASN QB . . 1.800 3.654 2.702 4.205 2.405 4 5 [***+-] 1
621 1 9 A Q6 2 10 G H1' . . 1.800 4.174 3.879 4.465 2.665 3 5 [*-+**] 1
622 1 9 A Q6 2 10 G H8 . . 1.800 2.379 2.265 2.500 0.700 5 4 "[ -**+]" 1
623 1 9 A H8 1 10 G H1' . . 1.800 6.332 6.188 6.531 4.731 2 5 [*+**-] 1
624 1 9 A H8 1 10 G H3' . . 1.800 5.498 5.294 5.764 3.964 4 5 [***+-] 1
625 1 9 A H8 1 10 G H8 . . 1.800 2.908 2.750 3.024 1.224 2 5 [-+***] 1
626 1 9 A H8 2 7 G H4' . . 1.800 6.462 5.904 7.234 5.434 4 5 [*-*+*] 1
627 1 10 G H1 1 10 G H1' . . 1.800 6.196 6.018 6.380 4.580 5 5 [-***+] 1
628 1 10 G H1 1 11 G H1 . . 1.800 3.417 3.063 4.142 2.342 2 5 [-+***] 1
629 1 10 G H1 1 11 G H1' . . 1.800 6.639 5.861 6.926 5.126 4 5 [*-*+*] 1
630 1 10 G H1 1 11 G Q2 . . 1.800 4.542 3.898 5.264 3.464 2 5 [-+***] 1
631 1 10 G H1 1 11 G H8 . . 1.800 6.326 5.189 7.206 5.406 1 5 [+-***] 1
632 1 10 G H1 2 4 G H1 . . 1.800 3.392 3.161 3.531 1.731 2 5 [*+*-*] 1
633 1 10 G H1 2 4 G H1' . . 1.800 6.628 6.435 6.785 4.985 1 5 [+***-] 1
634 1 10 G H1 2 4 G Q2 . . 1.800 3.170 3.013 3.318 1.518 1 5 [+***-] 1
635 1 10 G H1 2 5 G H1' . . 1.800 7.203 6.808 7.421 5.621 4 5 [*-*+*] 1
636 1 10 G H1 2 5 G H4' . . 1.800 8.421 8.109 8.764 6.964 4 5 [***+-] 1
637 1 10 G H1 2 5 G H8 . . 1.800 8.076 7.913 8.291 6.491 3 5 [**+-*] 1
638 1 10 G H1 2 6 A H1' . . 1.800 6.946 6.041 7.630 5.830 1 5 [+-***] 1
639 1 10 G H1 2 6 A H2 . . 1.800 5.882 5.088 6.421 4.621 4 5 [*-*+*] 1
640 1 10 G H1 2 6 A H8 . . 1.800 7.465 6.780 8.459 6.659 2 5 [*+*-*] 1
641 1 10 G H1 2 7 G H1' . . 1.800 7.551 7.443 7.736 5.936 4 5 [**-+*] 1
642 1 10 G H1 2 7 G H8 . . 1.800 5.200 4.998 5.381 3.581 4 5 [*-*+*] 1
643 1 10 G H1 3 3 TRP HD1 . . 1.800 6.063 5.710 6.572 4.772 2 5 [-+***] 1
644 1 10 G H1 3 3 TRP HH2 . . 1.800 8.446 7.683 8.910 7.110 1 5 [+-***] 1
645 1 10 G H1 3 3 TRP HZ2 . . 1.800 7.022 6.890 7.117 5.317 5 5 [**-*+] 1
646 1 10 G H1' 1 10 G H3' . . 1.800 3.849 3.617 4.034 2.234 4 5 [***+-] 1
647 1 10 G H1' 1 10 G H8 . . 1.800 3.525 3.431 3.586 1.786 2 5 [*+**-] 1
648 1 10 G H1' 1 11 G H1' . . 1.800 7.398 6.850 8.069 6.269 5 5 [*-**+] 1
649 1 10 G H1' 1 11 G H3' . . 1.800 8.118 8.043 8.224 6.424 4 5 [*-*+*] 1
650 1 10 G H1' 1 11 G H4' . . 1.800 6.872 6.056 7.461 5.661 5 5 [*-**+] 1
651 1 10 G H1' 1 11 G Q5' . . 1.800 4.860 4.748 5.056 3.256 5 5 [**-*+] 1
652 1 10 G H1' 1 11 G H8 . . 1.800 5.177 4.716 5.397 3.597 1 5 [+-***] 1
653 1 10 G H1' 2 4 G H1 . . 1.800 7.504 6.997 8.035 6.235 5 5 [***-+] 1
654 1 10 G H1' 2 5 G H1 . . 1.800 8.817 8.390 9.407 7.607 5 5 [-***+] 1
655 1 10 G H1' 2 6 A H1' . . 1.800 4.230 3.947 4.607 2.807 1 5 [+-***] 1
656 1 10 G H1' 2 6 A H3' . . 1.800 4.925 4.304 5.388 3.588 5 5 [-***+] 1
657 1 10 G H1' 2 6 A H4' . . 1.800 6.060 5.486 6.291 4.491 4 5 [*-*+*] 1
658 1 10 G H1' 2 6 A H8 . . 1.800 6.080 5.628 6.827 5.027 2 5 [*+*-*] 1
659 1 10 G H1' 2 7 G H1' . . 1.800 4.869 4.407 5.328 3.528 2 5 [-+***] 1
660 1 10 G H1' 2 7 G H3' . . 1.800 5.234 4.830 5.661 3.861 5 5 [***-+] 1
661 1 10 G H1' 2 7 G H4' . . 1.800 4.310 3.942 4.691 2.891 2 5 [*+-**] 1
662 1 10 G H1' 2 7 G Q5' . . 1.800 2.581 2.159 2.988 1.188 2 4 [-+**.] 1
663 1 10 G H1' 2 7 G H8 . . 1.800 3.435 3.072 3.856 2.056 5 5 [-***+] 1
664 1 10 G H1' 2 8 G H8 . . 1.800 7.977 7.376 8.752 6.952 4 5 [-**+*] 1
665 1 10 G H1' 2 9 A H2 . . 1.800 7.827 7.602 8.395 6.595 2 5 [*+*-*] 1
666 1 10 G H1' 2 9 A Q6 . . 1.800 4.116 3.803 4.738 2.938 2 5 [-+***] 1
667 1 10 G H3' 1 10 G H8 . . 1.800 3.834 3.509 4.403 2.603 4 5 [*-*+*] 1
668 1 10 G H3' 1 11 G H1' . . 1.800 6.157 5.938 6.395 4.595 2 5 [*+*-*] 1
669 1 10 G H3' 1 11 G H3' . . 1.800 6.060 5.432 6.585 4.785 2 5 [*+*-*] 1
670 1 10 G H3' 1 11 G H8 . . 1.800 2.523 2.313 2.723 0.923 2 5 [*+*-*] 1
671 1 10 G H3' 2 6 A H1' . . 1.800 6.310 5.952 6.473 4.673 1 5 [+**-*] 1
672 1 10 G H3' 2 7 G H1' . . 1.800 7.767 7.553 8.228 6.428 4 5 [-**+*] 1
673 1 10 G H3' 2 7 G H3' . . 1.800 8.697 8.549 9.061 7.261 5 5 [-***+] 1
674 1 10 G H3' 2 7 G H4' . . 1.800 6.990 6.504 7.543 5.743 4 5 [-**+*] 1
675 1 10 G H3' 2 9 A H2 . . 1.800 8.487 8.252 8.826 7.026 2 5 [*+*-*] 1
676 1 10 G H4' 1 10 G H8 . . 1.800 4.204 4.115 4.377 2.577 5 5 [-***+] 1
677 1 10 G H8 1 11 G H8 . . 1.800 5.654 5.393 5.964 4.164 5 5 [*-**+] 1
678 1 10 G H8 2 4 G H1 . . 1.800 7.878 7.524 7.990 6.190 5 5 [***-+] 1
679 1 10 G H8 2 6 A H8 . . 1.800 9.024 8.336 10.180 8.380 2 5 [*+*-*] 1
680 1 10 G H8 2 7 G H1' . . 1.800 4.655 4.487 4.823 3.023 4 5 [**-+*] 1
681 1 10 G H8 2 7 G H4' . . 1.800 4.804 4.515 5.205 3.405 4 5 [*-*+*] 1
682 1 10 G H8 2 7 G H8 . . 1.800 5.378 5.081 5.628 3.828 1 5 [+-***] 1
683 1 10 G H8 2 9 A H2 . . 1.800 5.776 5.479 6.045 4.245 2 5 [*+*-*] 1
684 1 10 G H8 2 9 A Q6 . . 1.800 2.497 2.338 2.807 1.007 2 5 [*+-**] 1
685 1 11 G H1 1 12 A H1' . . 1.800 5.195 4.716 5.851 4.051 2 5 [-+***] 1
686 1 11 G H1 1 12 A H2 . . 1.800 4.619 4.544 4.720 2.920 5 5 [**-*+] 1
687 1 11 G H1 1 12 A H8 . . 1.800 8.730 8.376 8.990 7.190 2 5 [-+***] 1
688 1 11 G H1 2 4 G H1 . . 1.800 6.295 6.103 6.710 4.910 2 5 [*+*-*] 1
689 1 11 G H1 2 4 G H1' . . 1.800 7.265 6.892 7.821 6.021 1 5 [+-***] 1
690 1 11 G H1 2 4 G Q2 . . 1.800 5.884 5.705 6.252 4.452 2 5 [*+**-] 1
691 1 11 G H1 3 2 GLN HA . . 1.800 6.712 6.346 7.401 5.601 2 5 [*+*-*] 1
692 1 11 G H1 3 2 GLN QB . . 1.800 4.531 4.368 4.744 2.944 2 5 [*+**-] 1
693 1 11 G H1 3 2 GLN QG . . 1.800 4.857 4.095 5.316 3.516 4 5 [*-*+*] 1
694 1 11 G H1 3 3 TRP HA . . 1.800 7.045 6.685 7.313 5.513 1 5 [+***-] 1
695 1 11 G H1 3 3 TRP QB . . 1.800 4.805 4.482 5.139 3.339 4 5 [*-*+*] 1
696 1 11 G H1 3 3 TRP HD1 . . 1.800 3.169 3.053 3.240 1.440 2 5 [*+**-] 1
697 1 11 G H1 3 3 TRP HE1 . . 1.800 2.732 2.451 3.166 1.366 2 5 [-+***] 1
698 1 11 G H1 3 3 TRP HE3 . . 1.800 6.563 6.212 6.849 5.049 4 5 [***+-] 1
699 1 11 G H1 3 3 TRP HH2 . . 1.800 6.605 6.447 6.703 4.903 4 5 [-**+*] 1
700 1 11 G H1 3 3 TRP HZ2 . . 1.800 4.629 4.331 4.911 3.111 5 5 [-***+] 1
701 1 11 G H1 3 3 TRP HZ3 . . 1.800 7.374 7.146 7.605 5.805 4 5 [***+-] 1
702 1 11 G H1 3 4 ASN QB . . 1.800 9.159 8.810 9.431 7.631 3 5 [**+*-] 1
703 1 11 G H1' 1 11 G H3' . . 1.800 3.840 3.780 3.876 2.076 1 5 [+-***] 1
704 1 11 G H1' 1 11 G H4' . . 1.800 3.460 3.406 3.543 1.743 5 5 [***-+] 1
705 1 11 G H1' 1 11 G Q5' . . 1.800 4.300 4.275 4.325 2.525 5 5 [***-+] 1
706 1 11 G H1' 1 11 G H8 . . 1.800 3.874 3.854 3.898 2.098 1 5 [+***-] 1
707 1 11 G H1' 1 12 A H1' . . 1.800 2.779 2.179 3.792 1.992 2 4 [*+*-.] 1
708 1 11 G H1' 1 12 A H4' . . 1.800 3.190 2.642 4.212 2.412 2 5 [-+***] 1
709 1 11 G H1' 1 12 A Q5' . . 1.800 4.186 3.405 4.491 2.691 5 5 [*-**+] 1
710 1 11 G H1' 1 12 A H8 . . 1.800 4.923 4.749 5.158 3.358 3 5 [*-+**] 1
711 1 11 G H1' 2 6 A H1' . . 1.800 6.034 5.003 7.143 5.343 5 5 [*-**+] 1
712 1 11 G H1' 2 6 A H2 . . 1.800 8.232 6.560 9.068 7.268 5 5 [*-**+] 1
713 1 11 G H1' 2 6 A H8 . . 1.800 4.513 3.860 5.364 3.564 2 5 [*+-**] 1
714 1 11 G H1' 3 2 GLN QB . . 1.800 8.603 7.687 9.670 7.870 2 5 [*+**-] 1
715 1 11 G H1' 3 2 GLN QG . . 1.800 7.719 6.629 8.271 6.471 2 5 [*+**-] 1
716 1 11 G H1' 3 3 TRP HD1 . . 1.800 7.923 7.435 8.179 6.379 1 5 [+***-] 1
717 1 11 G H1' 3 3 TRP HE3 . . 1.800 8.059 7.447 8.651 6.851 1 5 [+***-] 1
718 1 11 G H1' 3 3 TRP HH2 . . 1.800 4.733 4.064 5.247 3.447 3 5 [**+*-] 1
719 1 11 G H1' 3 3 TRP HZ2 . . 1.800 3.888 3.175 4.510 2.710 2 5 [*+**-] 1
720 1 11 G H1' 3 3 TRP HZ3 . . 1.800 6.891 6.249 7.547 5.747 3 5 [**+*-] 1
721 1 11 G H1' 3 8 LYS QG . . 1.800 7.143 6.367 8.358 6.558 2 5 [*+**-] 1
722 1 11 G H1' 3 12 ASN QB . . 1.800 8.226 7.594 9.333 7.533 5 5 [-***+] 1
723 1 11 G H3' 1 11 G H4' . . 1.800 2.725 2.702 2.756 0.956 4 5 [-**+*] 1
724 1 11 G H3' 1 11 G Q5' . . 1.800 2.421 2.345 2.536 0.736 4 5 [***+-] 1
725 1 11 G H3' 1 11 G H8 . . 1.800 4.470 4.334 4.870 3.070 2 5 [*+**-] 1
726 1 11 G H3' 1 12 A H1' . . 1.800 6.162 5.820 6.484 4.684 2 5 [*+**-] 1
727 1 11 G H3' 1 12 A H4' . . 1.800 5.066 4.524 6.512 4.712 2 5 [-+***] 1
728 1 11 G H3' 1 12 A Q5' . . 1.800 4.829 4.483 5.045 3.245 4 5 [*-*+*] 1
729 1 11 G H3' 1 12 A H8 . . 1.800 6.338 4.775 6.744 4.944 5 5 [*-**+] 1
730 1 11 G H3' 2 6 A H1' . . 1.800 6.983 6.548 7.350 5.550 5 5 [-***+] 1
731 1 11 G H3' 2 6 A H8 . . 1.800 5.640 5.013 6.895 5.095 2 5 [-+***] 1
732 1 11 G H3' 3 2 GLN QB . . 1.800 11.410 10.842 11.897 10.097 1 5 [+***-] 1
733 1 11 G H3' 3 3 TRP HE1 . . 1.800 8.787 8.119 9.329 7.529 1 5 [+-***] 1
734 1 11 G H3' 3 3 TRP HH2 . . 1.800 5.467 4.261 6.494 4.694 1 5 [+-***] 1
735 1 11 G H3' 3 3 TRP HZ2 . . 1.800 6.200 5.376 6.876 5.076 1 5 [+-***] 1
736 1 11 G H4' 1 11 G Q5' . . 1.800 2.172 2.147 2.191 0.391 1 0 "[ .]" 1
737 1 11 G H4' 1 11 G H8 . . 1.800 4.820 4.504 4.986 3.186 5 5 [*-**+] 1
738 1 11 G H4' 1 12 A H1' . . 1.800 5.740 4.863 6.674 4.874 2 5 [*+**-] 1
739 1 11 G H4' 1 12 A H2 . . 1.800 9.697 9.305 10.406 8.606 1 5 [+***-] 1
740 1 11 G H4' 1 12 A Q5' . . 1.800 3.884 3.247 4.530 2.730 1 5 [+-***] 1
741 1 11 G H4' 1 12 A H8 . . 1.800 6.396 5.769 7.077 5.277 1 5 [+-***] 1
742 1 11 G H4' 2 6 A H1' . . 1.800 4.697 4.053 5.435 3.635 5 5 [-***+] 1
743 1 11 G H4' 2 6 A H8 . . 1.800 3.171 2.422 4.509 2.709 2 5 [-+***] 1
744 1 11 G H4' 3 3 TRP HE1 . . 1.800 9.064 8.635 9.336 7.536 1 5 [+***-] 1
745 1 11 G H4' 3 3 TRP HH2 . . 1.800 7.031 5.954 7.952 6.152 1 5 [+-***] 1
746 1 11 G H4' 3 3 TRP HZ2 . . 1.800 7.023 6.614 7.500 5.700 1 5 [+***-] 1
747 1 11 G H4' 3 8 LYS QE . . 1.800 6.689 5.642 7.336 5.536 4 5 [*-*+*] 1
748 1 11 G Q5' 1 11 G H8 . . 1.800 3.701 3.508 3.866 2.066 5 5 [*-**+] 1
749 1 11 G Q5' 1 12 A H1' . . 1.800 6.570 5.813 7.470 5.670 2 5 [*+**-] 1
750 1 11 G Q5' 1 12 A Q5' . . 1.800 5.273 4.828 5.809 4.009 1 5 [+-***] 1
751 1 11 G Q5' 1 12 A H8 . . 1.800 7.445 6.532 8.001 6.201 3 5 [*-+**] 1
752 1 11 G Q5' 2 6 A H1' . . 1.800 3.921 3.311 5.022 3.222 2 5 [*+*-*] 1
753 1 11 G Q5' 2 6 A H8 . . 1.800 3.649 2.687 5.733 3.933 2 5 [*+*-*] 1
754 1 11 G Q5' 3 12 ASN QB . . 1.800 5.521 4.788 6.734 4.934 5 5 [*-**+] 1
755 1 11 G H8 1 12 A H1' . . 1.800 6.201 5.723 7.364 5.564 2 5 [*+**-] 1
756 1 11 G H8 1 12 A H4' . . 1.800 6.598 6.050 7.875 6.075 2 5 [*+**-] 1
757 1 11 G H8 1 12 A H8 . . 1.800 8.511 8.182 8.693 6.893 4 5 [*-*+*] 1
758 1 11 G H8 2 6 A H1' . . 1.800 6.170 5.539 6.572 4.772 1 5 [+-***] 1
759 1 11 G H8 2 6 A H8 . . 1.800 6.019 5.123 7.462 5.662 2 5 [*+*-*] 1
760 1 11 G H8 2 7 G H8 . . 1.800 7.533 6.723 7.920 6.120 5 5 [*-**+] 1
761 1 11 G H8 3 2 GLN HA . . 1.800 12.067 11.691 12.341 10.541 1 5 [+***-] 1
762 1 11 G H8 3 2 GLN QG . . 1.800 8.653 7.997 9.060 7.260 1 5 [+***-] 1
763 1 11 G H8 3 3 TRP HA . . 1.800 10.301 9.327 10.821 9.021 1 5 [+-***] 1
764 1 11 G H8 3 3 TRP QB . . 1.800 7.238 6.357 7.676 5.876 1 5 [+-***] 1
765 1 11 G H8 3 3 TRP HD1 . . 1.800 8.027 7.706 8.369 6.569 1 5 [+-***] 1
766 1 11 G H8 3 3 TRP HE1 . . 1.800 6.738 6.513 6.943 5.143 1 5 [+***-] 1
767 1 11 G H8 3 3 TRP HE3 . . 1.800 6.546 5.172 7.438 5.638 1 5 [+-***] 1
768 1 11 G H8 3 3 TRP HH2 . . 1.800 4.442 3.662 4.919 3.119 1 5 [+***-] 1
769 1 11 G H8 3 3 TRP HZ2 . . 1.800 4.979 4.610 5.134 3.334 1 5 [+***-] 1
770 1 11 G H8 3 3 TRP HZ3 . . 1.800 5.398 3.945 6.350 4.550 1 5 [+-***] 1
771 1 11 G H8 3 8 LYS QG . . 1.800 6.130 5.226 7.247 5.447 2 5 [-+***] 1
772 1 11 G H8 3 10 LYS QG . . 1.800 8.614 7.701 9.592 7.792 2 5 [*+*-*] 1
773 1 11 G H8 3 12 ASN QB . . 1.800 5.276 4.334 6.219 4.419 5 5 [-***+] 1
774 1 12 A H1' 1 12 A H2 . . 1.800 4.474 4.403 4.526 2.726 4 5 [**-+*] 1
775 1 12 A H1' 1 12 A H4' . . 1.800 3.423 3.186 3.643 1.843 3 5 [**+-*] 1
776 1 12 A H1' 1 12 A Q5' . . 1.800 4.369 4.324 4.404 2.604 2 5 [*+**-] 1
777 1 12 A H1' 1 12 A H8 . . 1.800 3.810 3.777 3.887 2.087 2 5 [-+***] 1
778 1 12 A H1' 2 6 A H1' . . 1.800 7.754 7.575 7.921 6.121 5 5 [*-**+] 1
779 1 12 A H1' 2 6 A H2 . . 1.800 7.919 6.358 8.437 6.637 4 5 [*-*+*] 1
780 1 12 A H1' 2 6 A H4' . . 1.800 10.857 10.546 10.998 9.198 5 5 [***-+] 1
781 1 12 A H1' 2 6 A H8 . . 1.800 5.978 5.210 6.985 5.185 2 5 [*+*-*] 1
782 1 12 A H1' 3 3 TRP HE1 . . 1.800 4.768 4.156 6.157 4.357 2 5 [-+***] 1
783 1 12 A H1' 3 3 TRP HH2 . . 1.800 5.735 5.175 7.152 5.352 2 5 [-+***] 1
784 1 12 A H1' 3 3 TRP HZ2 . . 1.800 3.854 3.130 5.532 3.732 2 5 [-+***] 1
785 1 12 A H1' 3 6 PRO QB . . 1.800 6.647 6.278 7.817 6.017 2 5 [*+**-] 1
786 1 12 A H1' 3 8 LYS QD . . 1.800 7.587 6.728 9.941 8.141 2 5 [*+*-*] 1
787 1 12 A H2 1 12 A H4' . . 1.800 7.851 7.675 7.999 6.199 1 5 [+**-*] 1
788 1 12 A H2 2 6 A H2 . . 1.800 10.464 9.320 10.935 9.135 4 5 [*-*+*] 1
789 1 12 A H2 2 6 A H8 . . 1.800 10.141 9.375 10.997 9.197 2 5 [*+*-*] 1
790 1 12 A H2 3 2 GLN HA . . 1.800 6.424 5.684 8.625 6.825 2 5 [*+**-] 1
791 1 12 A H2 3 2 GLN QB . . 1.800 3.860 3.161 5.978 4.178 2 5 [*+**-] 1
792 1 12 A H2 3 2 GLN QG . . 1.800 2.635 2.078 4.189 2.389 2 3 "[ + -*]" 1
793 1 12 A H2 3 3 TRP HA . . 1.800 7.813 7.177 9.162 7.362 2 5 [*+-**] 1
794 1 12 A H2 3 3 TRP HD1 . . 1.800 4.452 4.032 5.275 3.475 2 5 [-+***] 1
795 1 12 A H2 3 3 TRP HE1 . . 1.800 2.609 2.293 3.042 1.242 2 4 "[-+ **]" 1
796 1 12 A H2 3 3 TRP HE3 . . 1.800 7.122 6.171 8.118 6.318 2 5 [*+-**] 1
797 1 12 A H2 3 3 TRP HH2 . . 1.800 6.131 5.495 6.943 5.143 5 5 [**-*+] 1
798 1 12 A H2 3 3 TRP HZ2 . . 1.800 3.901 3.495 4.488 2.688 5 5 [**-*+] 1
799 1 12 A H2 3 3 TRP HZ3 . . 1.800 7.395 6.493 8.308 6.508 5 5 [**-*+] 1
800 1 12 A H2 3 4 ASN HA . . 1.800 8.779 7.831 10.268 8.468 2 5 [*+-**] 1
801 1 12 A H2 3 4 ASN QB . . 1.800 8.837 8.230 9.724 7.924 2 5 [*+-**] 1
802 1 12 A H2 3 4 ASN QD . . 1.800 7.476 7.200 7.712 5.912 2 5 [*+*-*] 1
803 1 12 A H2 3 5 LYS QB . . 1.800 7.121 6.363 8.365 6.565 2 5 [*+-**] 1
804 1 12 A H2 3 6 PRO QD . . 1.800 3.845 3.169 4.645 2.845 2 5 [*+-**] 1
805 1 12 A H2 3 6 PRO QG . . 1.800 4.063 3.639 4.558 2.758 1 5 [+-***] 1
806 1 12 A H2 3 8 LYS QD . . 1.800 8.354 7.691 9.031 7.231 2 5 [*+*-*] 1
807 1 12 A H2 3 8 LYS QG . . 1.800 8.154 7.594 9.358 7.558 2 5 [*+*-*] 1
808 1 12 A H3' 1 12 A H8 . . 1.800 2.526 2.161 2.732 0.932 1 4 "[+ **-]" 1
809 1 12 A H4' 1 12 A H8 . . 1.800 4.186 4.026 4.343 2.543 4 5 [-**+*] 1
810 1 12 A H4' 2 6 A H2 . . 1.800 7.505 5.837 8.129 6.329 3 5 [*-+**] 1
811 1 12 A H4' 3 3 TRP HH2 . . 1.800 7.588 7.194 8.761 6.961 2 5 [*+**-] 1
812 1 12 A H4' 3 3 TRP HZ2 . . 1.800 6.552 6.078 7.942 6.142 2 5 [-+***] 1
813 1 12 A Q5' 1 12 A H8 . . 1.800 2.642 2.123 3.710 1.910 2 3 "[ + *-]" 1
814 1 12 A Q5' 2 6 A H1' . . 1.800 6.686 4.728 7.448 5.648 3 5 [*-+**] 1
815 1 12 A Q5' 2 6 A H4' . . 1.800 9.003 6.914 10.059 8.259 3 5 [*-+**] 1
816 1 12 A Q5' 2 6 A H8 . . 1.800 4.568 2.919 5.156 3.356 3 5 [*-+**] 1
817 1 12 A H8 2 6 A H1' . . 1.800 9.778 8.696 10.163 8.363 5 5 [*-**+] 1
818 1 12 A H8 2 6 A H2 . . 1.800 10.565 9.498 10.987 9.187 4 5 [*-*+*] 1
819 1 12 A H8 2 6 A H8 . . 1.800 7.516 7.202 7.745 5.945 5 5 [*-**+] 1
820 1 12 A H8 3 2 GLN QB . . 1.800 9.453 8.796 11.491 9.691 2 5 [*+**-] 1
821 1 12 A H8 3 3 TRP HH2 . . 1.800 7.113 6.503 7.910 6.110 5 5 [-***+] 1
822 1 12 A H8 3 3 TRP HZ3 . . 1.800 9.477 8.785 10.333 8.533 5 5 [-***+] 1
823 1 12 A H8 3 6 PRO QG . . 1.800 5.163 4.252 6.656 4.856 2 5 [-+***] 1
824 2 1 G H1 2 1 G H1' . . 1.800 5.987 5.859 6.274 4.474 2 5 [*+*-*] 1
825 2 1 G H1 2 1 G H4' . . 1.800 8.274 7.899 8.658 6.858 3 5 [*-+**] 1
826 2 1 G H1 2 1 G Q5' . . 1.800 7.664 7.359 8.021 6.220 4 5 [*-*+*] 1
827 2 1 G H1 2 2 G H1' . . 1.800 7.015 6.635 7.556 5.756 4 5 [-**+*] 1
828 2 1 G H1 2 2 G Q2 . . 1.800 4.594 4.453 4.879 3.079 4 5 [*-*+*] 1
829 2 1 G H1 2 2 G Q5' . . 1.800 8.618 8.417 8.788 6.988 3 5 [*-+**] 1
830 2 1 G H1 2 2 G H8 . . 1.800 6.917 6.575 7.074 5.274 4 5 [-**+*] 1
831 2 1 G H1 2 3 A H1' . . 1.800 9.640 9.557 9.692 7.892 4 5 [**-+*] 1
832 2 1 G H1 2 3 A H2 . . 1.800 9.697 9.622 9.781 7.981 4 5 [*-*+*] 1
833 2 1 G H1 2 3 A H3' . . 1.800 8.314 8.103 8.437 6.637 4 5 [-**+*] 1
834 2 1 G H1 2 3 A Q5' . . 1.800 8.013 7.285 8.553 6.753 4 5 [-**+*] 1
835 2 1 G H1 2 3 A Q6 . . 1.800 4.624 4.495 4.665 2.865 4 5 [*-*+*] 1
836 2 1 G H1 2 3 A H8 . . 1.800 6.344 6.256 6.434 4.634 4 5 [-**+*] 1
837 2 1 G H1 2 4 G H1 . . 1.800 4.317 4.239 4.433 2.633 4 5 [-**+*] 1
838 2 1 G H1 2 4 G H1' . . 1.800 7.310 7.260 7.391 5.591 4 5 [-**+*] 1
839 2 1 G H1 2 4 G Q2 . . 1.800 6.078 6.015 6.184 4.384 4 5 [-**+*] 1
840 2 1 G H1 2 4 G H8 . . 1.800 5.464 5.430 5.485 3.685 1 5 [+-***] 1
841 2 1 G H1 2 5 G H1 . . 1.800 5.853 5.800 5.946 4.146 2 5 [*+-**] 1
842 2 1 G H1 2 5 G H8 . . 1.800 7.444 7.227 7.685 5.885 4 5 [***+-] 1
843 2 1 G H1 2 8 G H1 . . 1.800 6.927 6.586 7.274 5.474 2 5 [*+*-*] 1
844 2 1 G H1 2 10 G H1 . . 1.800 4.288 4.197 4.366 2.566 3 5 [**+-*] 1
845 2 1 G H1 2 11 G H1 . . 1.800 4.409 4.133 4.868 3.068 2 5 [*+*-*] 1
846 2 1 G H1' 2 1 G Q2 . . 1.800 4.416 4.151 4.840 3.040 2 5 [*+*-*] 1
847 2 1 G H1' 2 1 G H3' . . 1.800 3.713 3.638 3.767 1.967 3 5 [**+-*] 1
848 2 1 G H1' 2 1 G H4' . . 1.800 3.096 2.644 3.530 1.730 3 5 [-*+**] 1
849 2 1 G H1' 2 1 G Q5' . . 1.800 3.921 3.852 3.984 2.184 2 5 [*+**-] 1
850 2 1 G H1' 2 1 G H8 . . 1.800 3.702 3.401 3.836 2.036 4 5 [*-*+*] 1
851 2 1 G H1' 2 2 G H1' . . 1.800 4.882 4.654 5.536 3.736 4 5 [**-+*] 1
852 2 1 G H1' 2 2 G H3' . . 1.800 6.321 5.820 6.801 5.001 4 5 [*-*+*] 1
853 2 1 G H1' 2 2 G H4' . . 1.800 5.326 4.859 6.019 4.219 4 5 [*-*+*] 1
854 2 1 G H1' 2 2 G Q5' . . 1.800 3.847 3.263 4.160 2.360 4 5 [*-*+*] 1
855 2 1 G H1' 2 2 G H8 . . 1.800 2.607 2.285 2.873 1.073 4 4 "[ -*+*]" 1
856 2 1 G H1' 2 3 A H2 . . 1.800 6.523 6.045 6.915 5.115 3 5 [-*+**] 1
857 2 1 G H1' 2 3 A Q6 . . 1.800 2.937 2.369 3.836 2.036 2 5 [*+*-*] 1
858 2 1 G H1' 2 11 G H1 . . 1.800 5.937 5.585 6.502 4.702 2 5 [*+*-*] 1
859 2 1 G H1' 2 11 G Q2 . . 1.800 3.842 3.562 4.265 2.465 2 5 [*+**-] 1
860 2 1 G Q2 2 1 G H4' . . 1.800 5.948 5.388 6.516 4.716 3 5 [*-+**] 1
861 2 1 G Q2 2 2 G H1 . . 1.800 3.414 3.289 3.708 1.908 2 5 [*+-**] 1
862 2 1 G Q2 2 2 G H1' . . 1.800 4.343 3.822 4.925 3.125 4 5 [-**+*] 1
863 2 1 G Q2 2 2 G H8 . . 1.800 5.373 5.032 5.606 3.806 2 5 [-+***] 1
864 2 1 G Q2 2 3 A H1' . . 1.800 5.953 5.901 5.988 4.188 2 5 [*+-**] 1
865 2 1 G Q2 2 3 A H2 . . 1.800 6.244 6.133 6.350 4.550 4 5 [*-*+*] 1
866 2 1 G Q2 2 3 A H3' . . 1.800 5.228 5.129 5.322 3.522 2 5 [-+***] 1
867 2 1 G Q2 2 3 A Q5' . . 1.800 5.220 4.688 5.576 3.776 4 5 [-**+*] 1
868 2 1 G Q2 2 3 A Q6 . . 1.800 2.332 2.166 2.415 0.615 4 4 "[- *+*]" 1
869 2 1 G Q2 2 3 A H8 . . 1.800 3.272 3.240 3.346 1.546 2 5 [-+***] 1
870 2 1 G Q2 2 4 G H1 . . 1.800 5.060 4.993 5.099 3.299 4 5 [-**+*] 1
871 2 1 G Q2 2 4 G H1' . . 1.800 5.584 5.497 5.660 3.860 5 5 [*-**+] 1
872 2 1 G Q2 2 4 G H8 . . 1.800 3.164 3.111 3.204 1.404 5 5 [*-**+] 1
873 2 1 G Q2 2 10 G H1 . . 1.800 6.034 6.013 6.061 4.261 3 5 [*-+**] 1
874 2 1 G Q2 2 11 G H1 . . 1.800 5.547 5.169 6.109 4.309 2 5 [*+*-*] 1
875 2 1 G H3' 2 1 G H4' . . 1.800 2.818 2.718 2.920 1.120 1 5 [+*-**] 1
876 2 1 G H3' 2 1 G Q5' . . 1.800 2.707 2.309 3.096 1.296 3 5 [-*+**] 1
877 2 1 G H3' 2 1 G H8 . . 1.800 4.677 4.529 4.839 3.039 2 5 [*+-**] 1
878 2 1 G H3' 2 2 G H3' . . 1.800 7.478 7.237 7.643 5.843 1 5 [+**-*] 1
879 2 1 G H3' 2 2 G H4' . . 1.800 6.542 6.270 6.853 5.053 4 5 [*-*+*] 1
880 2 1 G H3' 2 2 G Q5' . . 1.800 4.426 4.263 4.633 2.833 1 5 [+**-*] 1
881 2 1 G H3' 2 2 G H8 . . 1.800 4.907 4.521 5.646 3.846 2 5 [*+*-*] 1
882 2 1 G H3' 2 3 A H2 . . 1.800 7.207 6.643 8.167 6.367 3 5 [**+-*] 1
883 2 1 G H3' 2 12 A H1' . . 1.800 7.178 6.444 9.011 7.211 2 5 [*+*-*] 1
884 2 1 G H4' 2 1 G Q5' . . 1.800 2.339 2.219 2.470 0.670 1 3 "[+* -.]" 1
885 2 1 G H4' 2 1 G H8 . . 1.800 5.430 5.251 5.627 3.827 2 5 [*+-**] 1
886 2 1 G H4' 2 2 G H4' . . 1.800 5.209 3.830 6.277 4.477 4 5 [*-*+*] 1
887 2 1 G H4' 2 2 G Q5' . . 1.800 4.331 3.451 4.785 2.985 5 5 [*-**+] 1
888 2 1 G H4' 2 2 G H8 . . 1.800 5.000 4.195 5.553 3.753 3 5 [-*+**] 1
889 2 1 G H4' 2 3 A H2 . . 1.800 4.776 4.065 5.694 3.894 3 5 [-*+**] 1
890 2 1 G Q5' 2 1 G H8 . . 1.800 4.067 3.093 5.195 3.395 2 5 [*+-**] 1
891 2 1 G Q5' 2 3 A H2 . . 1.800 5.472 3.855 6.600 4.800 3 5 [*-+**] 1
892 2 1 G H8 2 2 G H3' . . 1.800 9.552 8.857 9.860 8.060 5 5 [*-**+] 1
893 2 1 G H8 2 2 G Q5' . . 1.800 6.674 5.993 6.938 5.138 4 5 [*-*+*] 1
894 2 1 G H8 2 2 G H8 . . 1.800 5.079 4.486 5.389 3.589 5 5 [*-**+] 1
895 2 1 G H8 2 3 A Q6 . . 1.800 5.085 4.853 5.424 3.624 2 5 [*+*-*] 1
896 2 1 G H8 2 10 G H1 . . 1.800 5.125 4.859 5.413 3.613 4 5 [**-+*] 1
897 2 1 G H8 2 11 G H1 . . 1.800 5.042 4.720 5.322 3.522 2 5 [*+*-*] 1
898 2 1 G H8 2 11 G H1' . . 1.800 6.220 5.713 6.715 4.915 2 5 [*+**-] 1
899 2 1 G H8 2 11 G Q2 . . 1.800 3.117 2.909 3.345 1.545 1 5 [+*-**] 1
900 2 1 G H8 2 11 G H8 . . 1.800 8.579 8.166 9.049 7.249 2 5 [*+*-*] 1
901 2 1 G H8 2 12 A H1' . . 1.800 4.598 3.643 5.452 3.652 2 5 [*+*-*] 1
902 2 1 G H8 2 12 A H4' . . 1.800 5.840 5.408 6.518 4.718 2 5 [*+*-*] 1
903 2 1 G H8 2 12 A H8 . . 1.800 7.864 7.360 8.706 6.906 2 5 [*+*-*] 1
904 2 2 G H1 2 2 G H1' . . 1.800 5.851 5.790 5.879 4.079 2 5 [*+*-*] 1
905 2 2 G H1 2 3 A H3' . . 1.800 7.118 6.863 7.393 5.593 2 5 [-+***] 1
906 2 2 G H1 2 4 G H1 . . 1.800 4.345 4.255 4.418 2.618 4 5 [*-*+*] 1
907 2 2 G H1 2 4 G H1' . . 1.800 7.296 7.229 7.390 5.590 2 5 [*+*-*] 1
908 2 2 G H1 2 4 G H8 . . 1.800 5.333 5.206 5.514 3.714 2 5 [*+*-*] 1
909 2 2 G H1 2 5 G H1 . . 1.800 4.253 4.160 4.397 2.597 5 5 [*-**+] 1
910 2 2 G H1 2 5 G H8 . . 1.800 5.268 5.002 5.498 3.698 2 5 [*+**-] 1
911 2 2 G H1 2 6 A H2 . . 1.800 7.748 7.615 7.877 6.077 1 5 [+***-] 1
912 2 2 G H1 2 8 G H1 . . 1.800 6.546 6.445 6.667 4.867 5 5 [***-+] 1
913 2 2 G H1 2 10 G H1 . . 1.800 6.006 5.551 6.195 4.395 4 5 [*-*+*] 1
914 2 2 G H1 2 11 G H1 . . 1.800 4.277 4.203 4.355 2.555 2 5 [*+*-*] 1
915 2 2 G H1 2 12 A H2 . . 1.800 6.322 5.769 7.001 5.201 4 5 [***+-] 1
916 2 2 G H1 4 2 GLN HA . . 1.800 3.357 3.223 3.684 1.884 4 5 [***+-] 1
917 2 2 G H1 4 2 GLN QB . . 1.800 3.273 2.961 3.670 1.870 4 5 [***+-] 1
918 2 2 G H1 4 2 GLN QG . . 1.800 5.101 4.752 5.418 3.618 4 5 [***+-] 1
919 2 2 G H1 4 3 TRP HA . . 1.800 5.311 5.026 5.694 3.894 5 5 [***-+] 1
920 2 2 G H1 4 3 TRP QB . . 1.800 4.464 4.255 4.578 2.778 3 5 [**+-*] 1
921 2 2 G H1 4 3 TRP HD1 . . 1.800 3.033 3.001 3.065 1.265 2 5 [*+-**] 1
922 2 2 G H1 4 3 TRP HE1 . . 1.800 4.860 4.719 4.952 3.152 4 5 [**-+*] 1
923 2 2 G H1 4 3 TRP HE3 . . 1.800 7.950 7.855 7.980 6.180 2 5 [*+*-*] 1
924 2 2 G H1 4 3 TRP HH2 . . 1.800 9.580 9.498 9.639 7.839 5 5 [**-*+] 1
925 2 2 G H1 4 3 TRP HZ2 . . 1.800 7.684 7.563 7.752 5.952 5 5 [**-*+] 1
926 2 2 G H1 4 3 TRP HZ3 . . 1.800 9.677 9.629 9.711 7.911 2 5 [*+*-*] 1
927 2 2 G H1 4 4 ASN QB . . 1.800 9.205 9.094 9.344 7.544 5 5 [***-+] 1
928 2 2 G H1 4 4 ASN QD . . 1.800 9.416 9.216 9.519 7.719 5 5 [*-**+] 1
929 2 2 G H1 4 5 LYS QB . . 1.800 9.574 9.383 9.780 7.980 4 5 [*-*+*] 1
930 2 2 G H1 4 5 LYS QD . . 1.800 8.452 8.291 8.595 6.795 5 5 [-***+] 1
931 2 2 G H1 4 5 LYS QE . . 1.800 7.048 6.857 7.321 5.521 5 5 [*-**+] 1
932 2 2 G H1 4 5 LYS QG . . 1.800 8.003 7.731 8.351 6.551 5 5 [-***+] 1
933 2 2 G H1 4 6 PRO QG . . 1.800 8.678 8.366 9.000 7.200 4 5 [*-*+*] 1
934 2 2 G H1' 2 2 G H3' . . 1.800 3.725 3.673 3.793 1.993 1 5 [+*-**] 1
935 2 2 G H1' 2 2 G H4' . . 1.800 3.365 3.300 3.515 1.715 4 5 [**-+*] 1
936 2 2 G H1' 2 2 G Q5' . . 1.800 3.936 3.881 3.957 2.157 1 5 [+**-*] 1
937 2 2 G H1' 2 2 G H8 . . 1.800 3.896 3.883 3.917 2.117 4 5 [*-*+*] 1
938 2 2 G H1' 2 3 A H1' . . 1.800 5.718 4.925 6.277 4.477 4 5 [-**+*] 1
939 2 2 G H1' 2 3 A H2 . . 1.800 6.769 5.575 7.465 5.665 4 5 [-**+*] 1
940 2 2 G H1' 2 3 A H3' . . 1.800 4.420 4.017 4.766 2.966 3 5 [**+-*] 1
941 2 2 G H1' 2 3 A H4' . . 1.800 5.455 4.996 5.701 3.901 3 5 [-*+**] 1
942 2 2 G H1' 2 3 A Q5' . . 1.800 2.585 2.166 2.924 1.124 2 4 "[ +*-*]" 1
943 2 2 G H1' 2 3 A H8 . . 1.800 3.825 3.495 4.255 2.455 4 5 [-**+*] 1
944 2 2 G H1' 2 4 G H8 . . 1.800 6.125 5.715 6.358 4.558 4 5 [-**+*] 1
945 2 2 G H1' 2 11 G H1 . . 1.800 7.662 7.533 7.776 5.976 1 5 [+**-*] 1
946 2 2 G H1' 4 3 TRP HD1 . . 1.800 7.219 6.788 7.502 5.702 1 5 [+**-*] 1
947 2 2 G H1' 4 5 LYS QE . . 1.800 7.807 7.031 8.132 6.332 2 5 [*+*-*] 1
948 2 2 G Q2 2 4 G H1 . . 1.800 4.851 4.685 4.899 3.099 1 5 [+-***] 1
949 2 2 G Q2 2 4 G H8 . . 1.800 3.565 3.495 3.669 1.869 4 5 [***+-] 1
950 2 2 G Q2 2 5 G H8 . . 1.800 3.224 3.013 3.456 1.656 2 5 [*+**-] 1
951 2 2 G H3' 2 2 G H4' . . 1.800 2.724 2.709 2.746 0.946 1 5 [+***-] 1
952 2 2 G H3' 2 2 G Q5' . . 1.800 2.244 2.205 2.272 0.472 5 0 "[ .]" 1
953 2 2 G H3' 2 2 G H8 . . 1.800 4.691 4.576 4.777 2.977 3 5 [**+-*] 1
954 2 2 G H3' 2 3 A H2 . . 1.800 7.637 6.374 8.012 6.212 3 5 [-*+**] 1
955 2 2 G H3' 2 3 A Q5' . . 1.800 4.404 4.221 4.555 2.755 2 5 [*+*-*] 1
956 2 2 G H4' 2 2 G Q5' . . 1.800 2.436 2.407 2.461 0.661 2 5 [*+*-*] 1
957 2 2 G H4' 2 2 G H8 . . 1.800 4.871 4.751 4.923 3.123 2 5 [-+***] 1
958 2 2 G H4' 2 3 A H1' . . 1.800 5.312 4.939 5.771 3.971 3 5 [-*+**] 1
959 2 2 G H4' 2 3 A H2 . . 1.800 4.965 3.630 5.500 3.700 4 5 [-**+*] 1
960 2 2 G H4' 2 3 A H3' . . 1.800 6.109 5.241 6.489 4.689 1 5 [+**-*] 1
961 2 2 G H4' 2 3 A H4' . . 1.800 5.589 4.810 5.982 4.182 3 5 [**+-*] 1
962 2 2 G H4' 2 3 A Q5' . . 1.800 4.038 3.122 4.367 2.567 2 5 [*+*-*] 1
963 2 2 G H4' 2 3 A Q6 . . 1.800 5.312 4.910 5.884 4.084 4 5 [-**+*] 1
964 2 2 G H4' 2 3 A H8 . . 1.800 5.756 5.580 5.918 4.118 1 5 [+-***] 1
965 2 2 G Q5' 2 2 G H8 . . 1.800 2.736 2.526 2.894 1.094 3 5 [**+-*] 1
966 2 2 G Q5' 2 3 A H2 . . 1.800 6.009 5.083 6.567 4.767 3 5 [-*+**] 1
967 2 2 G Q5' 2 3 A H3' . . 1.800 7.385 6.648 7.749 5.949 3 5 [**+-*] 1
968 2 2 G Q5' 2 3 A Q5' . . 1.800 5.218 4.652 5.517 3.717 2 5 [*+*-*] 1
969 2 2 G Q5' 2 3 A Q6 . . 1.800 5.190 4.934 5.554 3.754 2 5 [-+***] 1
970 2 2 G Q5' 2 3 A H8 . . 1.800 6.858 6.598 6.984 5.184 3 5 [**+-*] 1
971 2 2 G H8 2 3 A H1' . . 1.800 8.818 8.375 9.333 7.533 3 5 [-*+**] 1
972 2 2 G H8 2 3 A H2 . . 1.800 7.918 6.908 8.550 6.750 3 5 [-*+**] 1
973 2 2 G H8 2 3 A H3' . . 1.800 8.162 7.497 8.564 6.764 3 5 [**+-*] 1
974 2 2 G H8 2 3 A Q5' . . 1.800 6.130 5.718 6.498 4.698 2 5 [-+***] 1
975 2 2 G H8 2 3 A Q6 . . 1.800 4.828 4.319 5.515 3.715 2 5 [-+***] 1
976 2 2 G H8 2 11 G H1 . . 1.800 5.733 5.665 5.855 4.055 1 5 [+**-*] 1
977 2 2 G H8 2 12 A H1' . . 1.800 6.043 5.387 6.522 4.722 2 5 [*+**-] 1
978 2 2 G H8 4 2 GLN QG . . 1.800 5.295 5.108 5.542 3.742 1 5 [+**-*] 1
979 2 2 G H8 4 3 TRP HD1 . . 1.800 6.623 6.415 6.890 5.090 1 5 [+***-] 1
980 2 2 G H8 4 3 TRP HH2 . . 1.800 9.589 9.196 9.964 8.164 1 5 [+*-**] 1
981 2 2 G H8 4 3 TRP HZ2 . . 1.800 7.146 6.768 7.515 5.715 1 5 [+*-**] 1
982 2 2 G H8 4 5 LYS QE . . 1.800 8.912 8.601 9.335 7.535 2 5 [*+**-] 1
983 2 2 G H8 4 5 LYS QG . . 1.800 8.577 8.426 8.911 7.111 2 5 [*+**-] 1
984 2 2 G H8 4 6 PRO QB . . 1.800 9.167 8.526 9.712 7.912 4 5 [**-+*] 1
985 2 3 A H1' 2 3 A H3' . . 1.800 3.855 3.819 3.891 2.091 1 5 [+**-*] 1
986 2 3 A H1' 2 3 A H4' . . 1.800 3.508 3.294 3.732 1.932 1 5 [+-***] 1
987 2 3 A H1' 2 3 A Q5' . . 1.800 4.206 4.052 4.318 2.518 4 5 [-**+*] 1
988 2 3 A H1' 2 3 A H8 . . 1.800 3.873 3.826 3.903 2.103 2 5 [*+*-*] 1
989 2 3 A H1' 2 4 G Q5' . . 1.800 4.755 4.699 4.846 3.046 1 5 [+**-*] 1
990 2 3 A H1' 2 4 G H8 . . 1.800 5.934 5.833 5.997 4.197 2 5 [*+-**] 1
991 2 3 A H2 2 3 A Q5' . . 1.800 6.781 6.306 7.287 5.487 2 5 [-+***] 1
992 2 3 A H2 2 3 A Q6 . . 1.800 4.071 4.046 4.080 2.280 3 5 [*-+**] 1
993 2 3 A H3' 2 3 A H4' . . 1.800 2.992 2.953 3.020 1.220 4 5 [-**+*] 1
994 2 3 A H3' 2 3 A Q5' . . 1.800 2.226 2.130 2.276 0.476 4 0 "[ .]" 1
995 2 3 A H3' 2 3 A H8 . . 1.800 2.267 2.240 2.323 0.523 4 1 "[ +.]" 1
996 2 3 A H3' 2 4 G H1' . . 1.800 6.849 6.600 7.142 5.342 4 5 [-**+*] 1
997 2 3 A H3' 2 4 G Q5' . . 1.800 2.369 2.210 2.603 0.803 4 3 "[ - +*]" 1
998 2 3 A H3' 2 4 G H8 . . 1.800 4.128 3.896 4.382 2.582 4 5 [-**+*] 1
999 2 3 A H4' 2 3 A Q5' . . 1.800 2.434 2.365 2.485 0.685 1 5 [+**-*] 1
1000 2 3 A H4' 2 3 A H8 . . 1.800 4.703 4.610 4.847 3.047 4 5 [**-+*] 1
1001 2 3 A H4' 2 4 G H8 . . 1.800 6.950 6.778 7.137 5.337 4 5 [-**+*] 1
1002 2 3 A Q5' 2 3 A H8 . . 1.800 3.197 2.823 3.656 1.856 4 5 [**-+*] 1
1003 2 3 A Q5' 2 4 G Q5' . . 1.800 3.856 3.556 4.206 2.406 4 5 [-**+*] 1
1004 2 3 A Q5' 2 4 G H8 . . 1.800 5.399 4.910 5.874 4.074 4 5 [-**+*] 1
1005 2 3 A H8 2 4 G H1' . . 1.800 6.147 5.927 6.323 4.523 5 5 [-***+] 1
1006 2 3 A H8 2 4 G H4' . . 1.800 5.342 5.171 5.497 3.697 3 5 [**+-*] 1
1007 2 3 A H8 2 4 G Q5' . . 1.800 2.603 2.459 2.723 0.923 3 5 [**+-*] 1
1008 2 3 A H8 2 4 G H8 . . 1.800 2.769 2.582 2.921 1.121 5 5 [-***+] 1
1009 2 4 G H1 2 4 G H1' . . 1.800 6.235 6.200 6.273 4.473 4 5 [**-+*] 1
1010 2 4 G H1 2 5 G H1 . . 1.800 3.742 3.602 3.819 2.019 4 5 [**-+*] 1
1011 2 4 G H1 2 5 G H1' . . 1.800 5.352 5.213 5.480 3.680 3 5 [*-+**] 1
1012 2 4 G H1 2 5 G Q2 . . 1.800 4.332 4.269 4.492 2.692 4 5 [**-+*] 1
1013 2 4 G H1 2 5 G H4' . . 1.800 7.414 7.168 7.596 5.796 4 5 [-**+*] 1
1014 2 4 G H1 2 5 G Q5' . . 1.800 7.374 7.236 7.522 5.722 3 5 [**+-*] 1
1015 2 4 G H1 2 5 G H8 . . 1.800 5.622 5.551 5.752 3.952 3 5 [*-+**] 1
1016 2 4 G H1 2 6 A H1' . . 1.800 8.172 7.609 8.570 6.770 1 5 [+-***] 1
1017 2 4 G H1 2 6 A H2 . . 1.800 5.384 5.172 5.675 3.875 4 5 [*-*+*] 1
1018 2 4 G H1 2 6 A H3' . . 1.800 6.718 5.673 7.330 5.530 2 5 [*+-**] 1
1019 2 4 G H1 2 7 G H1 . . 1.800 4.305 4.234 4.410 2.610 4 5 [*-*+*] 1
1020 2 4 G H1 2 7 G H1' . . 1.800 6.891 6.758 6.972 5.172 3 5 [**+-*] 1
1021 2 4 G H1 2 7 G H3' . . 1.800 9.056 8.712 9.173 7.373 3 5 [**+-*] 1
1022 2 4 G H1 2 7 G H8 . . 1.800 4.935 4.717 5.035 3.235 5 5 [***-+] 1
1023 2 4 G H1 2 8 G H8 . . 1.800 8.140 7.997 8.371 6.571 4 5 [**-+*] 1
1024 2 4 G H1' 2 4 G Q2 . . 1.800 4.765 4.705 4.825 3.025 1 5 [+-***] 1
1025 2 4 G H1' 2 4 G H4' . . 1.800 3.786 3.755 3.811 2.011 1 5 [+*-**] 1
1026 2 4 G H1' 2 4 G Q5' . . 1.800 3.939 3.896 3.959 2.159 3 5 [-*+**] 1
1027 2 4 G H1' 2 4 G H8 . . 1.800 3.503 3.449 3.528 1.728 2 5 [-+***] 1
1028 2 4 G H1' 2 5 G H1' . . 1.800 6.779 6.561 7.237 5.437 4 5 [**-+*] 1
1029 2 4 G H1' 2 5 G H4' . . 1.800 6.205 6.086 6.447 4.647 4 5 [***+-] 1
1030 2 4 G H1' 2 5 G Q5' . . 1.800 4.549 4.504 4.644 2.844 4 5 [-**+*] 1
1031 2 4 G H1' 2 5 G H8 . . 1.800 5.010 4.966 5.069 3.269 5 5 [*-**+] 1
1032 2 4 G H1' 2 6 A H2 . . 1.800 3.586 2.997 3.878 2.078 5 5 [*-**+] 1
1033 2 4 G Q2 2 5 G H1 . . 1.800 4.632 4.478 4.754 2.954 4 5 [**-+*] 1
1034 2 4 G Q2 2 5 G H1' . . 1.800 3.272 3.029 3.413 1.613 4 5 [*-*+*] 1
1035 2 4 G Q2 2 5 G H4' . . 1.800 4.316 4.052 4.509 2.709 3 5 [-*+**] 1
1036 2 4 G Q2 2 5 G Q5' . . 1.800 4.801 4.678 4.942 3.142 3 5 [**+-*] 1
1037 2 4 G Q2 2 5 G H8 . . 1.800 4.653 4.414 4.859 3.059 3 5 [*-+**] 1
1038 2 4 G Q2 2 6 A H1' . . 1.800 4.999 4.501 5.329 3.529 1 5 [+-***] 1
1039 2 4 G Q2 2 6 A H2 . . 1.800 2.435 2.259 2.666 0.866 4 4 [*-*+.] 1
1040 2 4 G Q2 2 6 A H3' . . 1.800 3.988 3.057 4.527 2.727 4 5 [**-+*] 1
1041 2 4 G Q2 2 6 A H8 . . 1.800 5.921 5.451 6.450 4.650 2 5 [*+*-*] 1
1042 2 4 G Q2 2 7 G H8 . . 1.800 3.006 2.841 3.072 1.272 2 5 [*+*-*] 1
1043 2 4 G H4' 2 4 G Q5' . . 1.800 2.465 2.459 2.478 0.678 3 5 [*-+**] 1
1044 2 4 G H4' 2 4 G H8 . . 1.800 4.155 4.109 4.183 2.383 1 5 [+**-*] 1
1045 2 4 G H4' 2 5 G H8 . . 1.800 5.167 5.002 5.294 3.494 2 5 [-+***] 1
1046 2 4 G H4' 2 6 A H2 . . 1.800 6.001 5.897 6.152 4.352 5 5 [***-+] 1
1047 2 4 G Q5' 2 4 G H8 . . 1.800 2.259 2.193 2.292 0.492 1 0 "[ .]" 1
1048 2 4 G Q5' 2 5 G Q5' . . 1.800 5.326 5.234 5.427 3.627 2 5 [*+**-] 1
1049 2 4 G Q5' 2 5 G H8 . . 1.800 3.731 3.358 4.058 2.258 2 5 [-+***] 1
1050 2 4 G Q5' 2 6 A H3' . . 1.800 10.093 9.224 10.748 8.948 4 5 [**-+*] 1
1051 2 4 G H8 2 5 G H8 . . 1.800 5.152 5.009 5.361 3.561 2 5 [-+***] 1
1052 2 4 G H8 2 6 A H2 . . 1.800 6.275 5.941 6.419 4.619 5 5 [*-**+] 1
1053 2 5 G H1 2 5 G H1' . . 1.800 5.907 5.852 5.953 4.153 5 5 [*-**+] 1
1054 2 5 G H1 2 6 A H2 . . 1.800 7.920 7.666 8.153 6.353 4 5 [***+-] 1
1055 2 5 G H1 2 6 A H3' . . 1.800 7.546 6.545 8.226 6.426 4 5 [**-+*] 1
1056 2 5 G H1 2 7 G H1' . . 1.800 5.937 5.795 6.051 4.251 1 5 [+**-*] 1
1057 2 5 G H1 2 7 G Q2 . . 1.800 5.122 4.917 5.231 3.431 1 5 [+-***] 1
1058 2 5 G H1 2 7 G H3' . . 1.800 8.243 8.212 8.274 6.474 4 5 [*-*+*] 1
1059 2 5 G H1 2 7 G H8 . . 1.800 5.827 5.678 5.937 4.137 5 5 [**-*+] 1
1060 2 5 G H1 2 8 G H1' . . 1.800 7.568 7.399 7.640 5.840 2 5 [*+*-*] 1
1061 2 5 G H1 2 8 G Q2 . . 1.800 6.010 5.902 6.065 4.265 3 5 [**+-*] 1
1062 2 5 G H1 2 8 G H8 . . 1.800 5.595 5.407 5.687 3.887 2 5 [*+*-*] 1
1063 2 5 G H1 2 10 G H1 . . 1.800 6.401 6.132 6.582 4.782 1 5 [+-***] 1
1064 2 5 G H1 2 11 G H1 . . 1.800 5.424 5.365 5.497 3.697 4 5 [*-*+*] 1
1065 2 5 G H1 4 2 GLN HA . . 1.800 5.857 5.667 6.272 4.472 4 5 [**-+*] 1
1066 2 5 G H1 4 2 GLN QB . . 1.800 5.385 5.206 5.667 3.867 4 5 [*-*+*] 1
1067 2 5 G H1 4 2 GLN QG . . 1.800 6.234 5.948 6.412 4.612 1 5 [+***-] 1
1068 2 5 G H1 4 3 TRP HA . . 1.800 3.703 3.475 3.825 2.025 5 5 [*-**+] 1
1069 2 5 G H1 4 3 TRP QB . . 1.800 2.102 2.023 2.174 0.374 1 0 "[ .]" 1
1070 2 5 G H1 4 3 TRP HD1 . . 1.800 3.674 3.570 3.844 2.044 5 5 [-***+] 1
1071 2 5 G H1 4 3 TRP HE1 . . 1.800 5.899 5.788 6.014 4.214 5 5 [-***+] 1
1072 2 5 G H1 4 3 TRP HE3 . . 1.800 5.702 5.472 5.842 4.042 5 5 [***-+] 1
1073 2 5 G H1 4 3 TRP HH2 . . 1.800 8.682 8.593 8.724 6.924 3 5 [**+-*] 1
1074 2 5 G H1 4 3 TRP HZ2 . . 1.800 7.767 7.719 7.798 5.998 2 5 [-+***] 1
1075 2 5 G H1 4 3 TRP HZ3 . . 1.800 7.847 7.651 7.917 6.117 5 5 [***-+] 1
1076 2 5 G H1 4 4 ASN HA . . 1.800 7.722 7.525 7.868 6.068 1 5 [+**-*] 1
1077 2 5 G H1 4 4 ASN QB . . 1.800 7.003 6.685 7.152 5.352 1 5 [+**-*] 1
1078 2 5 G H1 4 4 ASN QD . . 1.800 7.799 7.540 7.970 6.170 1 5 [+***-] 1
1079 2 5 G H1 4 5 LYS HA . . 1.800 9.095 8.948 9.142 7.342 1 5 [+-***] 1
1080 2 5 G H1 4 5 LYS QB . . 1.800 9.734 9.583 9.830 8.030 5 5 [*-**+] 1
1081 2 5 G H1 4 5 LYS QD . . 1.800 8.213 7.994 8.414 6.614 5 5 [*-**+] 1
1082 2 5 G H1 4 5 LYS QE . . 1.800 7.684 7.323 8.132 6.332 5 5 [*-**+] 1
1083 2 5 G H1 4 5 LYS QG . . 1.800 8.750 8.490 9.108 7.308 5 5 [*-**+] 1
1084 2 5 G H1 4 6 PRO QD . . 1.800 7.540 7.370 7.797 5.997 5 5 [*-**+] 1
1085 2 5 G H1 4 6 PRO QG . . 1.800 8.939 8.684 9.243 7.443 5 5 [*-**+] 1
1086 2 5 G H1' 2 5 G Q2 . . 1.800 4.217 4.129 4.309 2.509 5 5 [***-+] 1
1087 2 5 G H1' 2 5 G H4' . . 1.800 3.024 2.766 3.415 1.615 4 5 [-**+*] 1
1088 2 5 G H1' 2 5 G Q5' . . 1.800 4.192 4.116 4.308 2.508 4 5 [-**+*] 1
1089 2 5 G H1' 2 5 G H8 . . 1.800 3.873 3.847 3.913 2.113 4 5 [***+-] 1
1090 2 5 G H1' 2 6 A H2 . . 1.800 3.843 3.372 4.596 2.796 2 5 [*+**-] 1
1091 2 5 G H1' 2 6 A H3' . . 1.800 3.747 3.138 4.527 2.727 1 5 [+*-**] 1
1092 2 5 G H1' 2 6 A H4' . . 1.800 5.524 4.708 6.003 4.203 2 5 [*+-**] 1
1093 2 5 G H1' 2 6 A Q5' . . 1.800 3.027 2.220 4.387 2.587 2 4 "[*+ *-]" 1
1094 2 5 G H1' 2 7 G H8 . . 1.800 4.681 4.289 5.033 3.233 3 5 [**+-*] 1
1095 2 5 G H1' 4 3 TRP HD1 . . 1.800 8.363 8.245 8.463 6.663 4 5 [**-+*] 1
1096 2 5 G H1' 4 3 TRP HE1 . . 1.800 10.913 10.780 11.028 9.228 4 5 [**-+*] 1
1097 2 5 G H1' 4 3 TRP HE3 . . 1.800 10.468 10.285 10.698 8.898 1 5 [+**-*] 1
1098 2 5 G H1' 4 5 LYS QE . . 1.800 8.524 7.999 8.927 7.127 5 5 [*-**+] 1
1099 2 5 G H1' 4 5 LYS QG . . 1.800 10.435 9.993 10.775 8.975 5 5 [*-**+] 1
1100 2 5 G Q2 2 7 G H1 . . 1.800 4.478 4.233 4.650 2.850 3 5 [*-+**] 1
1101 2 5 G Q2 2 7 G H1' . . 1.800 3.447 3.195 3.675 1.875 3 5 [**+-*] 1
1102 2 5 G Q2 2 7 G H3' . . 1.800 4.767 4.700 4.865 3.065 3 5 [*-+**] 1
1103 2 5 G Q2 2 7 G H8 . . 1.800 3.319 3.190 3.423 1.623 4 5 [**-+*] 1
1104 2 5 G Q2 2 8 G H8 . . 1.800 3.308 3.230 3.398 1.598 5 5 [***-+] 1
1105 2 5 G Q2 4 3 TRP HD1 . . 1.800 5.461 5.349 5.612 3.812 5 5 [*-**+] 1
1106 2 5 G Q2 4 4 ASN HA . . 1.800 7.231 6.782 7.618 5.818 1 5 [+**-*] 1
1107 2 5 G H3' 2 5 G H8 . . 1.800 4.632 4.369 4.799 2.999 5 5 [**-*+] 1
1108 2 5 G H3' 4 3 TRP HD1 . . 1.800 10.715 10.392 10.860 9.060 1 5 [+*-**] 1
1109 2 5 G H3' 4 4 ASN HA . . 1.800 10.734 10.558 11.206 9.406 1 5 [+*-**] 1
1110 2 5 G H3' 4 5 LYS QD . . 1.800 9.518 9.097 9.995 8.195 1 5 [+-***] 1
1111 2 5 G H3' 4 5 LYS QE . . 1.800 8.371 7.714 8.792 6.992 1 5 [+*-**] 1
1112 2 5 G H3' 4 5 LYS QG . . 1.800 10.521 9.890 10.930 9.130 1 5 [+*-**] 1
1113 2 5 G H4' 2 5 G Q5' . . 1.800 2.129 2.079 2.177 0.377 2 0 "[ .]" 1
1114 2 5 G H4' 2 6 A H2 . . 1.800 3.147 2.720 4.033 2.233 2 5 [-+***] 1
1115 2 5 G H4' 2 6 A H3' . . 1.800 4.704 4.234 5.290 3.490 1 5 [+***-] 1
1116 2 5 G H4' 2 7 G H8 . . 1.800 6.570 6.350 6.810 5.010 3 5 [-*+**] 1
1117 2 5 G Q5' 2 5 G H8 . . 1.800 3.928 3.532 4.160 2.360 3 5 [**+-*] 1
1118 2 5 G Q5' 2 6 A H2 . . 1.800 3.032 2.523 3.698 1.898 2 5 [*+*-*] 1
1119 2 5 G Q5' 2 6 A H4' . . 1.800 6.385 5.875 7.084 5.284 2 5 [*+-**] 1
1120 2 5 G Q5' 2 6 A Q5' . . 1.800 3.769 3.416 4.321 2.521 2 5 [*+-**] 1
1121 2 5 G Q5' 2 6 A H8 . . 1.800 7.386 6.720 7.886 6.086 4 5 [*-*+*] 1
1122 2 5 G H8 2 6 A H2 . . 1.800 4.344 3.950 4.696 2.896 2 5 [*+*-*] 1
1123 2 5 G H8 4 2 GLN HA . . 1.800 4.938 3.995 5.947 4.147 4 5 [***+-] 1
1124 2 5 G H8 4 2 GLN QG . . 1.800 7.676 6.952 8.388 6.588 4 5 [***+-] 1
1125 2 5 G H8 4 3 TRP QB . . 1.800 6.591 6.499 6.718 4.918 2 5 [*+*-*] 1
1126 2 5 G H8 4 3 TRP HD1 . . 1.800 7.148 6.954 7.305 5.505 2 5 [*+**-] 1
1127 2 5 G H8 4 3 TRP HE3 . . 1.800 10.684 10.438 10.812 9.012 1 5 [+***-] 1
1128 2 5 G H8 4 3 TRP HZ3 . . 1.800 12.950 12.698 13.077 11.277 1 5 [+***-] 1
1129 2 5 G H8 4 4 ASN QB . . 1.800 10.009 9.856 10.164 8.364 1 5 [+***-] 1
1130 2 5 G H8 4 4 ASN QD . . 1.800 11.448 11.291 11.619 9.819 4 5 [***+-] 1
1131 2 5 G H8 4 5 LYS QB . . 1.800 10.579 10.147 10.945 9.145 4 5 [*-*+*] 1
1132 2 5 G H8 4 5 LYS QD . . 1.800 8.560 8.161 8.808 7.008 4 5 [*-*+*] 1
1133 2 5 G H8 4 5 LYS QE . . 1.800 6.912 6.358 7.317 5.517 4 5 [*-*+*] 1
1134 2 5 G H8 4 5 LYS QG . . 1.800 8.787 8.257 9.240 7.440 4 5 [*-*+*] 1
1135 2 5 G H8 4 6 PRO QG . . 1.800 11.998 11.652 12.375 10.575 4 5 [**-+*] 1
1136 2 6 A H1' 2 6 A H2 . . 1.800 6.069 5.540 6.218 4.418 1 5 [+-***] 1
1137 2 6 A H1' 2 6 A H3' . . 1.800 3.871 3.734 4.012 2.212 5 5 [-***+] 1
1138 2 6 A H1' 2 6 A H4' . . 1.800 3.568 3.398 3.725 1.925 2 5 [-+***] 1
1139 2 6 A H1' 2 6 A H8 . . 1.800 2.653 2.510 3.185 1.385 2 5 [-+***] 1
1140 2 6 A H1' 2 7 G Q5' . . 1.800 5.060 4.295 5.772 3.972 2 5 [*+**-] 1
1141 2 6 A H1' 2 7 G H8 . . 1.800 4.734 4.337 5.007 3.207 1 5 [+-***] 1
1142 2 6 A H2 2 6 A H3' . . 1.800 5.484 4.414 6.348 4.548 2 5 [*+**-] 1
1143 2 6 A H2 2 6 A H4' . . 1.800 6.611 5.995 7.802 6.002 2 5 [*+-**] 1
1144 2 6 A H2 2 6 A Q5' . . 1.800 3.822 3.078 5.414 3.614 2 5 [*+-**] 1
1145 2 6 A H2 2 7 G H8 . . 1.800 6.082 5.819 6.285 4.485 2 5 [*+**-] 1
1146 2 6 A H3' 2 6 A H4' . . 1.800 2.756 2.693 2.844 1.044 5 5 [*-**+] 1
1147 2 6 A H3' 2 6 A Q5' . . 1.800 2.354 2.064 2.972 1.172 2 2 "[ + -.]" 1
1148 2 6 A H3' 2 6 A H8 . . 1.800 5.981 5.829 6.087 4.287 4 5 [*-*+*] 1
1149 2 6 A H3' 2 7 G H1' . . 1.800 6.052 5.696 6.372 4.572 2 5 [-+***] 1
1150 2 6 A H3' 2 7 G H3' . . 1.800 4.877 3.801 5.669 3.869 3 5 [**+-*] 1
1151 2 6 A H3' 2 7 G H4' . . 1.800 6.441 5.687 6.967 5.167 3 5 [-*+**] 1
1152 2 6 A H3' 2 7 G Q5' . . 1.800 4.615 3.802 5.462 3.662 3 5 [-*+**] 1
1153 2 6 A H3' 2 7 G H8 . . 1.800 2.964 2.555 3.489 1.689 2 5 [*+-**] 1
1154 2 6 A H3' 2 8 G H8 . . 1.800 7.627 7.147 8.472 6.672 4 5 [-**+*] 1
1155 2 6 A H4' 2 6 A Q5' . . 1.800 2.494 2.332 2.563 0.763 3 5 [*-+**] 1
1156 2 6 A H4' 2 6 A H8 . . 1.800 5.421 4.579 5.751 3.951 3 5 [*-+**] 1
1157 2 6 A H4' 2 7 G H3' . . 1.800 6.033 5.908 6.259 4.459 1 5 [+**-*] 1
1158 2 6 A H4' 2 7 G Q5' . . 1.800 5.241 4.769 5.796 3.996 4 5 [***+-] 1
1159 2 6 A H4' 2 7 G H8 . . 1.800 5.294 4.788 5.709 3.909 4 5 [**-+*] 1
1160 2 6 A Q5' 2 7 G H3' . . 1.800 6.524 5.790 7.123 5.323 2 5 [-+***] 1
1161 2 6 A Q5' 2 7 G H8 . . 1.800 4.583 4.013 5.652 3.852 2 5 [-+***] 1
1162 2 6 A H8 2 7 G H8 . . 1.800 6.818 6.488 7.395 5.595 2 5 [*+*-*] 1
1163 2 7 G H1 2 7 G H1' . . 1.800 5.804 5.752 5.848 4.048 1 5 [+***-] 1
1164 2 7 G H1 2 8 G H1' . . 1.800 7.297 7.042 7.606 5.806 2 5 [*+**-] 1
1165 2 7 G H1 2 8 G Q5' . . 1.800 7.810 6.560 8.247 6.447 1 5 [+**-*] 1
1166 2 7 G H1 2 8 G H8 . . 1.800 6.864 6.632 7.058 5.258 4 5 [***+-] 1
1167 2 7 G H1 2 9 A H2 . . 1.800 9.808 9.733 9.871 8.071 2 5 [*+*-*] 1
1168 2 7 G H1 2 9 A H3' . . 1.800 8.330 8.034 8.597 6.797 5 5 [***-+] 1
1169 2 7 G H1 2 9 A Q6 . . 1.800 4.742 4.695 4.807 3.007 2 5 [*+*-*] 1
1170 2 7 G H1 2 10 G H1 . . 1.800 4.196 4.084 4.255 2.455 3 5 [**+-*] 1
1171 2 7 G H1 2 10 G H1' . . 1.800 7.491 7.318 7.641 5.841 1 5 [+-***] 1
1172 2 7 G H1 2 10 G H8 . . 1.800 5.503 5.469 5.544 3.744 1 5 [+-***] 1
1173 2 7 G H1 2 11 G H1 . . 1.800 5.521 5.296 5.722 3.922 4 5 [-**+*] 1
1174 2 7 G H1' 2 7 G Q2 . . 1.800 4.210 4.141 4.339 2.539 4 5 [***+-] 1
1175 2 7 G H1' 2 7 G H3' . . 1.800 3.678 3.644 3.790 1.990 4 5 [*-*+*] 1
1176 2 7 G H1' 2 7 G H4' . . 1.800 3.204 3.137 3.368 1.568 5 5 [***-+] 1
1177 2 7 G H1' 2 7 G Q5' . . 1.800 4.169 3.930 4.273 2.473 3 5 [**+*-] 1
1178 2 7 G H1' 2 7 G H8 . . 1.800 3.873 3.840 3.895 2.095 1 5 [+**-*] 1
1179 2 7 G H1' 2 8 G H3' . . 1.800 6.163 5.373 6.550 4.750 2 5 [*+*-*] 1
1180 2 7 G H1' 2 8 G H4' . . 1.800 5.514 4.762 5.979 4.179 2 5 [*+*-*] 1
1181 2 7 G H1' 2 8 G Q5' . . 1.800 3.444 2.235 3.823 2.023 1 4 "[+** -]" 1
1182 2 7 G H1' 2 8 G H8 . . 1.800 3.306 2.970 4.149 2.349 4 5 [*-*+*] 1
1183 2 7 G H1' 2 9 A Q6 . . 1.800 2.343 2.154 2.631 0.831 4 3 "[- +*]" 1
1184 2 7 G H1' 4 3 TRP HE3 . . 1.800 8.968 8.573 9.478 7.678 5 5 [***-+] 1
1185 2 7 G Q2 2 8 G H1 . . 1.800 3.370 3.320 3.449 1.649 5 5 [*-**+] 1
1186 2 7 G Q2 2 8 G H1' . . 1.800 4.531 4.208 4.798 2.998 2 5 [*+**-] 1
1187 2 7 G Q2 2 8 G H4' . . 1.800 5.432 4.501 5.979 4.179 2 5 [*+*-*] 1
1188 2 7 G Q2 2 8 G H8 . . 1.800 5.202 4.934 5.618 3.818 4 5 [***+-] 1
1189 2 7 G Q2 2 9 A H1' . . 1.800 5.881 5.783 5.944 4.144 5 5 [*-**+] 1
1190 2 7 G Q2 2 9 A H2 . . 1.800 6.407 6.390 6.421 4.621 5 5 [***-+] 1
1191 2 7 G Q2 2 9 A H3' . . 1.800 5.142 4.837 5.360 3.560 5 5 [***-+] 1
1192 2 7 G Q2 2 9 A Q5' . . 1.800 5.482 4.537 5.997 4.197 5 5 [***-+] 1
1193 2 7 G Q2 2 9 A Q6 . . 1.800 2.595 2.554 2.632 0.832 1 5 [+**-*] 1
1194 2 7 G Q2 2 9 A H8 . . 1.800 3.058 2.995 3.083 1.283 4 5 [-**+*] 1
1195 2 7 G Q2 2 10 G H1 . . 1.800 4.997 4.927 5.040 3.240 2 5 [-+***] 1
1196 2 7 G Q2 2 10 G H1' . . 1.800 5.867 5.701 5.988 4.188 4 5 [*-*+*] 1
1197 2 7 G Q2 2 10 G H8 . . 1.800 3.258 3.212 3.334 1.534 4 5 [***+-] 1
1198 2 7 G H3' 2 7 G H4' . . 1.800 2.774 2.732 2.823 1.023 4 5 [***+-] 1
1199 2 7 G H3' 2 7 G Q5' . . 1.800 2.627 2.347 3.122 1.322 5 5 [*-**+] 1
1200 2 7 G H3' 2 7 G H8 . . 1.800 4.616 4.267 4.742 2.942 1 5 [+**-*] 1
1201 2 7 G H3' 2 8 G H4' . . 1.800 7.198 7.117 7.311 5.511 4 5 [***+-] 1
1202 2 7 G H3' 2 8 G Q5' . . 1.800 4.602 4.558 4.657 2.857 3 5 [**+-*] 1
1203 2 7 G H3' 2 8 G H8 . . 1.800 4.758 4.352 6.168 4.368 4 5 [-**+*] 1
1204 2 7 G H3' 2 9 A H2 . . 1.800 7.470 7.117 8.262 6.462 4 5 [**-+*] 1
1205 2 7 G H3' 2 9 A Q6 . . 1.800 4.815 4.568 5.039 3.239 4 5 [*-*+*] 1
1206 2 7 G H4' 2 7 G Q5' . . 1.800 2.168 2.147 2.190 0.390 5 0 "[ .]" 1
1207 2 7 G H4' 2 7 G H8 . . 1.800 5.184 5.120 5.272 3.472 4 5 [***+-] 1
1208 2 7 G H4' 2 8 G H4' . . 1.800 5.954 5.206 6.231 4.431 3 5 [**+-*] 1
1209 2 7 G H4' 2 8 G Q5' . . 1.800 3.305 2.691 3.517 1.717 3 5 [**+-*] 1
1210 2 7 G H4' 2 8 G H8 . . 1.800 5.464 4.955 6.281 4.481 4 5 [*-*+*] 1
1211 2 7 G H4' 2 9 A H2 . . 1.800 5.031 4.810 5.441 3.641 4 5 [**-+*] 1
1212 2 7 G Q5' 2 7 G H8 . . 1.800 4.107 3.103 4.556 2.756 4 5 [***+-] 1
1213 2 7 G H8 2 8 G H8 . . 1.800 6.138 5.745 6.893 5.093 4 5 [**-+*] 1
1214 2 7 G H8 2 9 A Q6 . . 1.800 4.643 4.575 4.709 2.909 4 5 [***+-] 1
1215 2 8 G H1 2 8 G H1' . . 1.800 5.926 5.880 6.038 4.238 4 5 [*-*+*] 1
1216 2 8 G H1 2 10 G H1 . . 1.800 4.563 4.205 4.715 2.915 3 5 [**+-*] 1
1217 2 8 G H1 2 10 G H8 . . 1.800 5.179 5.003 5.379 3.579 4 5 [*-*+*] 1
1218 2 8 G H1 2 11 G H1 . . 1.800 4.283 4.177 4.375 2.575 4 5 [*-*+*] 1
1219 2 8 G H1 2 11 G H3' . . 1.800 9.165 8.973 9.328 7.528 1 5 [+**-*] 1
1220 2 8 G H1 2 11 G H8 . . 1.800 4.954 4.652 5.249 3.449 2 5 [*+*-*] 1
1221 2 8 G H1 2 12 A H8 . . 1.800 10.623 10.062 11.087 9.287 3 5 [**+-*] 1
1222 2 8 G H1 4 2 GLN HA . . 1.800 8.442 8.350 8.554 6.754 5 5 [*-**+] 1
1223 2 8 G H1 4 2 GLN QB . . 1.800 6.658 6.508 6.851 5.051 5 5 [*-**+] 1
1224 2 8 G H1 4 2 GLN QG . . 1.800 6.917 6.804 7.071 5.271 3 5 [*-+**] 1
1225 2 8 G H1 4 3 TRP HA . . 1.800 6.626 6.401 6.782 4.982 4 5 [*-*+*] 1
1226 2 8 G H1 4 3 TRP QB . . 1.800 4.032 3.845 4.183 2.383 4 5 [*-*+*] 1
1227 2 8 G H1 4 3 TRP HD1 . . 1.800 4.758 4.636 4.884 3.084 5 5 [*-**+] 1
1228 2 8 G H1 4 3 TRP HE1 . . 1.800 5.158 5.010 5.254 3.454 5 5 [-***+] 1
1229 2 8 G H1 4 3 TRP HE3 . . 1.800 4.851 4.531 5.238 3.438 5 5 [*-**+] 1
1230 2 8 G H1 4 3 TRP HH2 . . 1.800 6.103 6.034 6.170 4.370 5 5 [*-**+] 1
1231 2 8 G H1 4 3 TRP HZ2 . . 1.800 5.596 5.526 5.633 3.833 4 5 [-**+*] 1
1232 2 8 G H1 4 3 TRP HZ3 . . 1.800 5.814 5.595 6.104 4.304 5 5 [*-**+] 1
1233 2 8 G H1 4 4 ASN QB . . 1.800 7.685 7.493 7.964 6.164 5 5 [*-**+] 1
1234 2 8 G H1 4 4 ASN QD . . 1.800 6.994 6.757 7.207 5.407 1 5 [+***-] 1
1235 2 8 G H1 4 5 LYS HA . . 1.800 9.627 9.457 9.741 7.941 4 5 [***+-] 1
1236 2 8 G H1 4 5 LYS QB . . 1.800 10.522 10.387 10.637 8.837 4 5 [***+-] 1
1237 2 8 G H1 4 5 LYS QG . . 1.800 10.102 10.013 10.204 8.404 5 5 [*-**+] 1
1238 2 8 G H1' 2 8 G H3' . . 1.800 3.705 3.636 3.771 1.971 4 5 [**-+*] 1
1239 2 8 G H1' 2 8 G H4' . . 1.800 3.162 3.079 3.334 1.534 2 5 [*+-**] 1
1240 2 8 G H1' 2 8 G Q5' . . 1.800 4.153 4.129 4.175 2.375 5 5 [**-*+] 1
1241 2 8 G H1' 2 8 G H8 . . 1.800 3.876 3.827 3.911 2.111 5 5 [***-+] 1
1242 2 8 G H1' 2 9 A H2 . . 1.800 6.906 6.508 7.625 5.825 4 5 [-**+*] 1
1243 2 8 G H1' 2 9 A H3' . . 1.800 4.111 3.933 4.472 2.672 4 5 [*-*+*] 1
1244 2 8 G H1' 2 9 A H4' . . 1.800 5.404 5.117 5.727 3.927 4 5 [-**+*] 1
1245 2 8 G H1' 2 9 A Q5' . . 1.800 2.747 2.349 3.093 1.293 5 5 [*-**+] 1
1246 2 8 G H1' 2 9 A H8 . . 1.800 4.238 3.724 4.799 2.999 4 5 [***+-] 1
1247 2 8 G H1' 2 10 G H1 . . 1.800 10.093 9.882 10.253 8.453 3 5 [**+-*] 1
1248 2 8 G H1' 2 10 G H8 . . 1.800 6.361 5.810 6.597 4.797 2 5 [*+**-] 1
1249 2 8 G H1' 4 3 TRP QB . . 1.800 6.461 6.187 6.805 5.005 5 5 [*-**+] 1
1250 2 8 G H1' 4 3 TRP HD1 . . 1.800 9.621 9.446 9.960 8.160 5 5 [*-**+] 1
1251 2 8 G H1' 4 12 ASN QB . . 1.800 5.335 3.844 6.556 4.756 3 5 [**+-*] 1
1252 2 8 G Q2 2 10 G H1 . . 1.800 5.216 4.785 5.443 3.643 2 5 [*+*-*] 1
1253 2 8 G Q2 2 11 G H8 . . 1.800 3.011 2.808 3.184 1.384 2 5 [*+*-*] 1
1254 2 8 G H3' 2 8 G H4' . . 1.800 2.784 2.749 2.806 1.006 4 5 [*-*+*] 1
1255 2 8 G H3' 2 8 G Q5' . . 1.800 2.819 2.717 3.008 1.208 4 5 [***+-] 1
1256 2 8 G H3' 2 8 G H8 . . 1.800 4.639 4.569 4.726 2.926 3 5 [**+-*] 1
1257 2 8 G H3' 2 9 A H2 . . 1.800 6.289 6.075 6.462 4.662 4 5 [-**+*] 1
1258 2 8 G H3' 2 9 A Q5' . . 1.800 4.308 4.059 4.461 2.661 1 5 [+**-*] 1
1259 2 8 G H3' 2 9 A Q6 . . 1.800 6.250 5.599 6.478 4.678 1 5 [+**-*] 1
1260 2 8 G H3' 4 3 TRP HZ3 . . 1.800 10.042 9.619 10.507 8.707 5 5 [*-**+] 1
1261 2 8 G H3' 4 10 LYS QD . . 1.800 5.382 4.279 6.173 4.373 2 5 [*+**-] 1
1262 2 8 G H3' 4 10 LYS QE . . 1.800 5.515 4.555 6.602 4.802 4 5 [***+-] 1
1263 2 8 G H4' 2 8 G Q5' . . 1.800 2.163 2.097 2.196 0.396 3 0 "[ .]" 1
1264 2 8 G H4' 2 8 G H8 . . 1.800 5.206 5.056 5.336 3.536 4 5 [*-*+*] 1
1265 2 8 G H4' 2 9 A H1' . . 1.800 4.365 3.713 5.353 3.553 4 5 [-**+*] 1
1266 2 8 G H4' 2 9 A H2 . . 1.800 4.203 3.930 4.572 2.772 4 5 [-**+*] 1
1267 2 8 G H4' 2 9 A H3' . . 1.800 4.864 4.779 5.022 3.222 1 5 [+**-*] 1
1268 2 8 G H4' 2 9 A H4' . . 1.800 4.632 4.309 5.096 3.296 4 5 [**-+*] 1
1269 2 8 G H4' 2 9 A Q5' . . 1.800 3.233 2.195 3.838 2.038 1 4 "[+-* *]" 1
1270 2 8 G H4' 2 9 A Q6 . . 1.800 4.785 3.956 5.072 3.272 3 5 [**+-*] 1
1271 2 8 G H4' 2 9 A H8 . . 1.800 4.861 4.594 5.436 3.636 2 5 [*+**-] 1
1272 2 8 G H4' 2 10 G H8 . . 1.800 7.520 7.067 8.059 6.259 2 5 [*+*-*] 1
1273 2 8 G Q5' 2 8 G H8 . . 1.800 4.158 3.761 4.385 2.585 4 5 [*-*+*] 1
1274 2 8 G Q5' 2 9 A H1' . . 1.800 5.303 4.745 6.012 4.212 4 5 [**-+*] 1
1275 2 8 G Q5' 2 9 A H2 . . 1.800 3.179 2.889 3.624 1.824 4 5 [-**+*] 1
1276 2 8 G Q5' 2 9 A H3' . . 1.800 6.247 6.113 6.449 4.649 1 5 [+**-*] 1
1277 2 8 G Q5' 2 9 A Q6 . . 1.800 3.190 2.386 3.492 1.692 1 5 [+**-*] 1
1278 2 8 G Q5' 2 9 A H8 . . 1.800 5.640 5.446 5.863 4.063 2 5 [*+*-*] 1
1279 2 8 G H8 2 9 A H2 . . 1.800 7.769 7.209 9.277 7.477 4 5 [*-*+*] 1
1280 2 8 G H8 2 9 A H3' . . 1.800 7.778 7.378 8.159 6.359 4 5 [*-*+*] 1
1281 2 8 G H8 2 9 A Q5' . . 1.800 6.204 5.712 6.620 4.820 5 5 [*-**+] 1
1282 2 8 G H8 2 9 A Q6 . . 1.800 4.750 4.146 5.659 3.859 4 5 [*-*+*] 1
1283 2 8 G H8 4 2 GLN HA . . 1.800 10.699 10.468 10.979 9.179 1 5 [+**-*] 1
1284 2 8 G H8 4 2 GLN QB . . 1.800 9.762 9.371 9.945 8.145 5 5 [***-+] 1
1285 2 8 G H8 4 2 GLN QG . . 1.800 9.652 8.925 10.064 8.264 1 5 [+**-*] 1
1286 2 8 G H8 4 3 TRP HA . . 1.800 6.680 6.297 7.120 5.320 1 5 [+**-*] 1
1287 2 8 G H8 4 3 TRP QB . . 1.800 5.045 4.443 5.389 3.589 5 5 [***-+] 1
1288 2 8 G H8 4 3 TRP HD1 . . 1.800 8.469 8.050 8.826 7.026 5 5 [***-+] 1
1289 2 8 G H8 4 3 TRP HE3 . . 1.800 6.499 5.378 7.135 5.335 5 5 [***-+] 1
1290 2 8 G H8 4 3 TRP HH2 . . 1.800 10.208 9.377 10.443 8.643 5 5 [***-+] 1
1291 2 8 G H8 4 3 TRP HZ2 . . 1.800 10.649 9.980 10.868 9.068 5 5 [***-+] 1
1292 2 8 G H8 4 3 TRP HZ3 . . 1.800 8.313 7.238 8.776 6.976 5 5 [***-+] 1
1293 2 8 G H8 4 4 ASN HA . . 1.800 8.334 6.780 8.995 7.195 1 5 [+**-*] 1
1294 2 8 G H8 4 4 ASN QB . . 1.800 6.279 4.678 6.958 5.158 1 5 [+**-*] 1
1295 2 8 G H8 4 5 LYS QB . . 1.800 11.398 10.174 11.984 10.184 1 5 [+**-*] 1
1296 2 8 G H8 4 5 LYS QD . . 1.800 9.864 8.784 10.413 8.613 5 5 [***-+] 1
1297 2 8 G H8 4 5 LYS QG . . 1.800 11.285 10.252 11.865 10.065 5 5 [***-+] 1
1298 2 8 G H8 4 6 PRO QG . . 1.800 11.078 10.089 11.650 9.850 5 5 [***-+] 1
1299 2 8 G H8 4 10 LYS QG . . 1.800 6.453 5.387 8.566 6.766 5 5 [**-*+] 1
1300 2 9 A H1' 2 9 A H3' . . 1.800 3.832 3.799 3.888 2.088 4 5 [***+-] 1
1301 2 9 A H1' 2 9 A H4' . . 1.800 3.286 2.931 3.841 2.041 4 5 [-**+*] 1
1302 2 9 A H1' 2 9 A Q5' . . 1.800 4.211 3.900 4.314 2.514 5 5 [***-+] 1
1303 2 9 A H1' 2 9 A H8 . . 1.800 3.804 3.700 3.869 2.069 3 5 [*-+**] 1
1304 2 9 A H1' 2 10 G H3' . . 1.800 8.511 8.323 8.756 6.956 1 5 [+***-] 1
1305 2 9 A H1' 2 10 G H8 . . 1.800 5.957 5.654 6.209 4.409 3 5 [*-+**] 1
1306 2 9 A H2 2 9 A Q5' . . 1.800 6.468 5.225 7.138 5.338 5 5 [***-+] 1
1307 2 9 A H3' 2 9 A H4' . . 1.800 3.012 2.951 3.040 1.240 1 5 [+**-*] 1
1308 2 9 A H3' 2 9 A Q5' . . 1.800 2.321 2.229 2.398 0.598 1 3 "[+ * -]" 1
1309 2 9 A H3' 2 9 A H8 . . 1.800 2.581 2.351 2.744 0.944 5 5 [***-+] 1
1310 2 9 A H3' 2 10 G H3' . . 1.800 5.302 5.032 5.621 3.821 2 5 [*+**-] 1
1311 2 9 A H3' 2 10 G H8 . . 1.800 4.354 4.080 4.471 2.671 1 5 [+**-*] 1
1312 2 9 A H4' 2 9 A Q5' . . 1.800 2.418 2.332 2.500 0.700 4 5 [*-*+*] 1
1313 2 9 A H4' 2 9 A H8 . . 1.800 4.932 4.831 4.983 3.183 5 5 [***-+] 1
1314 2 9 A H4' 4 9 PRO QB . . 1.800 9.916 8.432 10.717 8.917 1 5 [+**-*] 1
1315 2 9 A H4' 4 10 LYS QD . . 1.800 5.172 3.896 5.962 4.162 2 5 [*+*-*] 1
1316 2 9 A H4' 4 10 LYS QE . . 1.800 5.692 3.057 7.354 5.554 1 5 [+**-*] 1
1317 2 9 A Q5' 2 9 A H8 . . 1.800 3.907 3.322 4.238 2.438 5 5 [***-+] 1
1318 2 9 A Q5' 2 10 G H8 . . 1.800 5.904 5.385 6.168 4.368 1 5 [+**-*] 1
1319 2 9 A Q5' 4 10 LYS QE . . 1.800 3.651 2.832 4.522 2.722 5 5 [**-*+] 1
1320 2 9 A Q5' 4 12 ASN QB . . 1.800 3.793 2.662 4.843 3.043 4 5 [-**+*] 1
1321 2 9 A H8 2 10 G H1' . . 1.800 6.236 6.024 6.417 4.617 3 5 [*-+**] 1
1322 2 9 A H8 2 10 G H3' . . 1.800 5.877 5.254 6.294 4.494 1 5 [+***-] 1
1323 2 9 A H8 2 10 G H8 . . 1.800 2.711 2.600 2.829 1.029 3 5 [**+-*] 1
1324 2 10 G H1 2 10 G H1' . . 1.800 6.130 6.048 6.233 4.433 1 5 [+**-*] 1
1325 2 10 G H1 2 11 G H1 . . 1.800 3.221 2.956 3.474 1.674 4 5 [*-*+*] 1
1326 2 10 G H1 2 11 G H1' . . 1.800 6.899 6.670 6.998 5.198 2 5 [*+**-] 1
1327 2 10 G H1 2 11 G Q2 . . 1.800 4.392 4.084 4.874 3.074 4 5 [*-*+*] 1
1328 2 10 G H1 2 11 G H8 . . 1.800 6.638 6.301 6.858 5.058 2 5 [*+*-*] 1
1329 2 10 G H1 4 3 TRP HD1 . . 1.800 5.918 5.511 6.077 4.277 4 5 [*-*+*] 1
1330 2 10 G H1 4 3 TRP HH2 . . 1.800 8.604 8.503 8.765 6.965 5 5 [*-**+] 1
1331 2 10 G H1 4 3 TRP HZ2 . . 1.800 6.958 6.860 7.051 5.251 4 5 [*-*+*] 1
1332 2 10 G H1' 2 10 G H3' . . 1.800 3.993 3.900 4.054 2.254 2 5 [*+**-] 1
1333 2 10 G H1' 2 10 G H8 . . 1.800 3.652 3.469 3.771 1.971 4 5 [*-*+*] 1
1334 2 10 G H1' 2 11 G H1' . . 1.800 7.089 6.713 7.519 5.719 2 5 [*+-**] 1
1335 2 10 G H1' 2 11 G H3' . . 1.800 7.611 7.160 8.259 6.459 2 5 [*+-**] 1
1336 2 10 G H1' 2 11 G H4' . . 1.800 6.721 6.400 7.343 5.543 2 5 [*+*-*] 1
1337 2 10 G H1' 2 11 G Q5' . . 1.800 4.565 4.271 5.131 3.331 2 5 [*+*-*] 1
1338 2 10 G H1' 2 11 G H8 . . 1.800 5.078 4.712 5.358 3.558 2 5 [*+*-*] 1
1339 2 10 G H3' 2 10 G H8 . . 1.800 4.566 3.768 5.041 3.241 1 5 [+***-] 1
1340 2 10 G H3' 2 11 G H1' . . 1.800 6.185 5.650 6.672 4.872 4 5 [*-*+*] 1
1341 2 10 G H3' 2 11 G H3' . . 1.800 5.354 4.901 6.023 4.223 5 5 [-***+] 1
1342 2 10 G H3' 2 11 G H8 . . 1.800 2.876 2.159 3.375 1.575 4 4 "[* *+-]" 1
1343 2 10 G H4' 2 10 G H8 . . 1.800 4.178 4.114 4.273 2.473 1 5 [+-***] 1
1344 2 10 G H8 2 11 G H8 . . 1.800 5.667 5.604 5.768 3.968 1 5 [+*-**] 1
1345 2 11 G H1 2 12 A H1' . . 1.800 5.292 4.744 5.762 3.962 2 5 [*+**-] 1
1346 2 11 G H1 2 12 A H2 . . 1.800 4.707 4.409 5.052 3.252 4 5 [**-+*] 1
1347 2 11 G H1 2 12 A H8 . . 1.800 8.561 8.382 8.869 7.069 2 5 [*+**-] 1
1348 2 11 G H1 4 2 GLN HA . . 1.800 6.332 6.117 6.522 4.722 5 5 [***-+] 1
1349 2 11 G H1 4 2 GLN QG . . 1.800 5.062 4.871 5.306 3.506 3 5 [*-+**] 1
1350 2 11 G H1 4 3 TRP HA . . 1.800 7.095 6.926 7.232 5.432 5 5 [*-**+] 1
1351 2 11 G H1 4 3 TRP QB . . 1.800 5.037 4.894 5.194 3.394 1 5 [+***-] 1
1352 2 11 G H1 4 3 TRP HD1 . . 1.800 3.243 3.130 3.345 1.545 1 5 [+***-] 1
1353 2 11 G H1 4 3 TRP HE1 . . 1.800 2.605 2.546 2.683 0.883 4 5 [***+-] 1
1354 2 11 G H1 4 3 TRP HE3 . . 1.800 6.705 6.470 6.842 5.042 1 5 [+-***] 1
1355 2 11 G H1 4 3 TRP HZ2 . . 1.800 4.513 4.385 4.645 2.845 4 5 [*-*+*] 1
1356 2 11 G H1 4 3 TRP HZ3 . . 1.800 7.463 7.231 7.592 5.792 1 5 [+-***] 1
1357 2 11 G H1 4 4 ASN QB . . 1.800 9.267 9.037 9.458 7.658 5 5 [*-**+] 1
1358 2 11 G H1' 2 11 G H3' . . 1.800 3.824 3.773 3.905 2.105 2 5 [*+-**] 1
1359 2 11 G H1' 2 11 G H4' . . 1.800 3.260 3.115 3.475 1.675 5 5 [-***+] 1
1360 2 11 G H1' 2 11 G Q5' . . 1.800 4.255 4.208 4.304 2.504 5 5 [-***+] 1
1361 2 11 G H1' 2 11 G H8 . . 1.800 3.859 3.819 3.900 2.100 5 5 [**-*+] 1
1362 2 11 G H1' 2 12 A H1' . . 1.800 2.586 2.142 2.890 1.090 5 4 "[* -*+]" 1
1363 2 11 G H1' 2 12 A H4' . . 1.800 3.423 2.722 4.422 2.622 1 5 [+***-] 1
1364 2 11 G H1' 2 12 A Q5' . . 1.800 4.377 4.194 4.574 2.774 2 5 [*+*-*] 1
1365 2 11 G H1' 2 12 A H8 . . 1.800 4.302 3.466 4.977 3.177 5 5 [***-+] 1
1366 2 11 G H1' 4 2 GLN QB . . 1.800 8.118 7.705 8.741 6.941 5 5 [***-+] 1
1367 2 11 G H1' 4 2 GLN QG . . 1.800 7.461 6.940 8.124 6.324 5 5 [***-+] 1
1368 2 11 G H1' 4 3 TRP HD1 . . 1.800 8.013 7.905 8.108 6.308 5 5 [***-+] 1
1369 2 11 G H1' 4 3 TRP HE3 . . 1.800 8.156 7.897 8.667 6.867 5 5 [***-+] 1
1370 2 11 G H1' 4 3 TRP HH2 . . 1.800 4.675 4.418 5.296 3.496 5 5 [**-*+] 1
1371 2 11 G H1' 4 3 TRP HZ2 . . 1.800 3.811 3.572 4.171 2.371 5 5 [-***+] 1
1372 2 11 G H1' 4 3 TRP HZ3 . . 1.800 6.942 6.649 7.585 5.785 5 5 [***-+] 1
1373 2 11 G H1' 4 8 LYS QG . . 1.800 7.030 6.862 7.185 5.385 4 5 [**-+*] 1
1374 2 11 G H1' 4 12 ASN QB . . 1.800 7.120 6.454 8.122 6.322 5 5 [*-**+] 1
1375 2 11 G H3' 2 11 G H4' . . 1.800 2.781 2.698 2.813 1.013 1 5 [+***-] 1
1376 2 11 G H3' 2 11 G Q5' . . 1.800 2.571 2.435 2.707 0.907 1 5 [+***-] 1
1377 2 11 G H3' 2 11 G H8 . . 1.800 4.395 4.193 4.487 2.687 3 5 [*-+**] 1
1378 2 11 G H3' 2 12 A H1' . . 1.800 6.055 5.673 6.322 4.522 5 5 [*-**+] 1
1379 2 11 G H3' 2 12 A H4' . . 1.800 5.138 4.635 5.894 4.094 4 5 [*-*+*] 1
1380 2 11 G H3' 2 12 A Q5' . . 1.800 4.611 4.048 5.003 3.203 2 5 [-+***] 1
1381 2 11 G H3' 2 12 A H8 . . 1.800 5.775 4.665 6.763 4.963 3 5 [**+-*] 1
1382 2 11 G H3' 4 2 GLN QB . . 1.800 11.133 10.658 11.560 9.760 5 5 [***-+] 1
1383 2 11 G H3' 4 3 TRP HE1 . . 1.800 9.095 8.935 9.252 7.452 2 5 [*+*-*] 1
1384 2 11 G H3' 4 3 TRP HH2 . . 1.800 5.840 5.487 5.968 4.168 5 5 [***-+] 1
1385 2 11 G H3' 4 3 TRP HZ2 . . 1.800 6.540 6.340 6.702 4.902 2 5 [*+*-*] 1
1386 2 11 G H4' 2 11 G Q5' . . 1.800 2.155 2.140 2.180 0.380 5 0 "[ .]" 1
1387 2 11 G H4' 2 11 G H8 . . 1.800 5.056 4.765 5.304 3.504 3 5 [**+*-] 1
1388 2 11 G H4' 2 12 A H1' . . 1.800 4.920 4.244 6.209 4.409 5 5 [-***+] 1
1389 2 11 G H4' 2 12 A H2 . . 1.800 9.364 8.675 10.539 8.739 5 5 [-***+] 1
1390 2 11 G H4' 2 12 A Q5' . . 1.800 3.163 2.097 4.639 2.839 5 3 "[ -* +]" 1
1391 2 11 G H4' 2 12 A H8 . . 1.800 5.537 4.193 7.064 5.264 5 5 [-***+] 1
1392 2 11 G H4' 4 3 TRP HE1 . . 1.800 8.951 8.595 9.298 7.498 5 5 [-***+] 1
1393 2 11 G H4' 4 3 TRP HH2 . . 1.800 7.231 6.885 7.675 5.875 5 5 [***-+] 1
1394 2 11 G H4' 4 3 TRP HZ2 . . 1.800 6.972 6.664 7.355 5.555 5 5 [-***+] 1
1395 2 11 G H4' 4 8 LYS QE . . 1.800 7.123 6.867 7.330 5.530 3 5 [**+*-] 1
1396 2 11 G Q5' 2 11 G H8 . . 1.800 4.166 3.566 4.585 2.785 3 5 [**+*-] 1
1397 2 11 G Q5' 2 12 A H1' . . 1.800 6.000 5.443 6.858 5.058 5 5 [-***+] 1
1398 2 11 G Q5' 2 12 A Q5' . . 1.800 4.444 3.224 5.874 4.074 5 5 [-***+] 1
1399 2 11 G Q5' 2 12 A H8 . . 1.800 6.786 5.698 7.873 6.073 5 5 [-***+] 1
1400 2 11 G Q5' 4 12 ASN QB . . 1.800 5.938 5.146 7.304 5.504 4 5 [***+-] 1
1401 2 11 G H8 2 12 A H1' . . 1.800 6.039 5.792 6.232 4.432 1 5 [+*-**] 1
1402 2 11 G H8 2 12 A H4' . . 1.800 6.777 6.013 7.585 5.785 1 5 [+-***] 1
1403 2 11 G H8 2 12 A H8 . . 1.800 7.801 6.994 8.563 6.763 3 5 [**+-*] 1
1404 2 11 G H8 4 2 GLN HA . . 1.800 11.751 11.359 12.157 10.357 5 5 [***-+] 1
1405 2 11 G H8 4 2 GLN QG . . 1.800 8.480 7.976 8.916 7.116 5 5 [***-+] 1
1406 2 11 G H8 4 3 TRP HA . . 1.800 10.502 10.272 10.771 8.971 2 5 [*+*-*] 1
1407 2 11 G H8 4 3 TRP QB . . 1.800 7.443 7.266 7.686 5.886 2 5 [*+*-*] 1
1408 2 11 G H8 4 3 TRP HD1 . . 1.800 8.058 7.854 8.289 6.489 2 5 [*+*-*] 1
1409 2 11 G H8 4 3 TRP HE1 . . 1.800 6.709 6.495 6.991 5.191 2 5 [-+***] 1
1410 2 11 G H8 4 3 TRP HE3 . . 1.800 6.699 6.278 7.340 5.540 5 5 [***-+] 1
1411 2 11 G H8 4 3 TRP HH2 . . 1.800 4.453 4.111 4.951 3.151 5 5 [-***+] 1
1412 2 11 G H8 4 3 TRP HZ2 . . 1.800 4.906 4.594 5.191 3.391 2 5 [-+***] 1
1413 2 11 G H8 4 3 TRP HZ3 . . 1.800 5.553 5.125 6.326 4.526 5 5 [***-+] 1
1414 2 11 G H8 4 8 LYS QG . . 1.800 6.290 5.614 6.847 5.047 2 5 [*+**-] 1
1415 2 11 G H8 4 10 LYS QG . . 1.800 8.464 7.792 9.270 7.470 5 5 [**-*+] 1
1416 2 11 G H8 4 12 ASN QB . . 1.800 4.071 3.246 5.151 3.351 5 5 [*-**+] 1
1417 2 12 A H1' 2 12 A H2 . . 1.800 4.623 4.494 4.754 2.954 2 5 [*+**-] 1
1418 2 12 A H1' 2 12 A H4' . . 1.800 3.249 2.716 3.622 1.822 5 5 [*-**+] 1
1419 2 12 A H1' 2 12 A Q5' . . 1.800 4.374 4.182 4.498 2.698 1 5 [+-***] 1
1420 2 12 A H1' 2 12 A H8 . . 1.800 3.770 3.752 3.777 1.977 1 5 [+-***] 1
1421 2 12 A H1' 4 3 TRP HE1 . . 1.800 5.077 4.108 5.596 3.796 2 5 [*+**-] 1
1422 2 12 A H1' 4 3 TRP HH2 . . 1.800 5.881 5.224 6.615 4.815 1 5 [+*-**] 1
1423 2 12 A H1' 4 3 TRP HZ2 . . 1.800 4.069 3.277 4.788 2.988 1 5 [+***-] 1
1424 2 12 A H1' 4 6 PRO QB . . 1.800 7.058 6.225 8.092 6.292 4 5 [**-+*] 1
1425 2 12 A H1' 4 8 LYS QD . . 1.800 7.333 6.764 7.981 6.181 4 5 [**-+*] 1
1426 2 12 A H2 2 12 A H4' . . 1.800 7.735 7.384 8.044 6.244 5 5 [*-**+] 1
1427 2 12 A H2 4 2 GLN HA . . 1.800 6.057 5.718 6.428 4.628 2 5 [*+-**] 1
1428 2 12 A H2 4 2 GLN QB . . 1.800 3.504 3.173 3.841 2.041 2 5 [*+-**] 1
1429 2 12 A H2 4 2 GLN QG . . 1.800 2.989 2.167 3.558 1.758 1 4 [+*-*.] 1
1430 2 12 A H2 4 3 TRP HA . . 1.800 8.266 7.463 8.871 7.071 1 5 [+***-] 1
1431 2 12 A H2 4 3 TRP HD1 . . 1.800 5.013 4.112 5.671 3.871 1 5 [+***-] 1
1432 2 12 A H2 4 3 TRP HE1 . . 1.800 3.127 2.327 3.767 1.967 1 5 [+*-**] 1
1433 2 12 A H2 4 3 TRP HE3 . . 1.800 7.869 6.801 8.698 6.898 1 5 [+*-**] 1
1434 2 12 A H2 4 3 TRP HH2 . . 1.800 6.654 5.760 7.213 5.413 1 5 [+*-**] 1
1435 2 12 A H2 4 3 TRP HZ2 . . 1.800 4.364 3.534 4.869 3.069 1 5 [+*-**] 1
1436 2 12 A H2 4 3 TRP HZ3 . . 1.800 8.079 7.038 8.817 7.017 1 5 [+*-**] 1
1437 2 12 A H2 4 4 ASN HA . . 1.800 9.631 8.472 10.585 8.785 4 5 [**-+*] 1
1438 2 12 A H2 4 4 ASN QB . . 1.800 9.542 8.486 10.267 8.467 4 5 [**-+*] 1
1439 2 12 A H2 4 4 ASN QD . . 1.800 8.142 7.176 8.779 6.979 4 5 [**-+*] 1
1440 2 12 A H2 4 5 LYS QB . . 1.800 7.617 6.762 8.312 6.512 4 5 [***+-] 1
1441 2 12 A H2 4 6 PRO QD . . 1.800 4.559 3.498 5.409 3.609 4 5 [**-+*] 1
1442 2 12 A H2 4 6 PRO QG . . 1.800 4.637 3.712 5.263 3.463 4 5 [**-+*] 1
1443 2 12 A H2 4 8 LYS QD . . 1.800 8.441 7.795 8.899 7.099 5 5 [**-*+] 1
1444 2 12 A H2 4 8 LYS QG . . 1.800 8.393 7.586 8.983 7.183 4 5 [**-+*] 1
1445 2 12 A H3' 2 12 A H8 . . 1.800 3.009 2.593 4.312 2.512 2 5 [-+***] 1
1446 2 12 A H4' 2 12 A H8 . . 1.800 4.290 4.005 4.683 2.883 2 5 [*+**-] 1
1447 2 12 A H4' 4 3 TRP HH2 . . 1.800 7.872 7.221 8.847 7.047 1 5 [+*-**] 1
1448 2 12 A H4' 4 3 TRP HZ2 . . 1.800 6.775 6.117 7.641 5.841 1 5 [+***-] 1
1449 2 12 A Q5' 2 12 A H8 . . 1.800 3.151 2.134 3.687 1.887 2 4 [*+-*.] 1
1450 2 12 A H8 4 2 GLN QB . . 1.800 8.846 8.680 9.035 7.235 2 5 [*+*-*] 1
1451 2 12 A H8 4 3 TRP HH2 . . 1.800 6.420 5.899 7.015 5.215 3 5 [**+-*] 1
1452 2 12 A H8 4 3 TRP HZ3 . . 1.800 8.846 8.388 9.438 7.638 3 5 [**+-*] 1
1453 2 12 A H8 4 6 PRO QG . . 1.800 4.927 4.215 5.385 3.585 4 5 [***+-] 1
1454 3 1 GLY QA 3 2 GLN HA . . 1.800 4.082 4.058 4.091 2.291 3 5 [*-+**] 1
1455 3 1 GLY QA 3 2 GLN QB . . 1.800 4.161 4.081 4.220 2.420 2 5 [-+***] 1
1456 3 1 GLY QA 3 2 GLN QE . . 1.800 4.727 4.132 5.025 3.225 3 5 [*-+**] 1
1457 3 1 GLY QA 3 2 GLN QG . . 1.800 4.639 4.167 4.924 3.124 3 5 [*-+**] 1
1458 3 1 GLY QA 3 3 TRP HD1 . . 1.800 7.070 6.506 7.245 5.445 3 5 [*-+**] 1
1459 3 1 GLY QA 3 3 TRP HE1 . . 1.800 7.962 7.234 8.334 6.534 1 5 [+-***] 1
1460 3 1 GLY QA 3 3 TRP HE3 . . 1.800 9.608 9.257 9.815 8.015 5 5 [*-**+] 1
1461 3 1 GLY QA 3 3 TRP HH2 . . 1.800 11.163 10.545 11.532 9.732 1 5 [+-***] 1
1462 3 1 GLY QA 3 3 TRP HZ2 . . 1.800 9.852 9.128 10.314 8.514 1 5 [+-***] 1
1463 3 1 GLY QA 3 3 TRP HZ3 . . 1.800 11.003 10.597 11.119 9.319 1 5 [+-***] 1
1464 3 1 GLY QA 3 4 ASN QD . . 1.800 9.032 7.882 9.780 7.980 3 5 [*-+**] 1
1465 3 2 GLN HA 3 2 GLN QE . . 1.800 5.396 5.140 5.545 3.745 3 5 [**+*-] 1
1466 3 2 GLN HA 3 2 GLN QG . . 1.800 3.547 3.527 3.566 1.766 5 5 [***-+] 1
1467 3 2 GLN HA 3 3 TRP HA . . 1.800 4.545 4.453 4.643 2.843 3 5 [**+-*] 1
1468 3 2 GLN HA 3 3 TRP QB . . 1.800 4.885 4.734 5.124 3.324 2 5 [-+***] 1
1469 3 2 GLN HA 3 3 TRP HD1 . . 1.800 4.108 3.858 4.683 2.883 2 5 [*+*-*] 1
1470 3 2 GLN HA 3 3 TRP HE1 . . 1.800 5.934 5.522 6.723 4.923 2 5 [*+*-*] 1
1471 3 2 GLN HA 3 3 TRP HE3 . . 1.800 8.001 7.726 8.540 6.740 2 5 [-+***] 1
1472 3 2 GLN HA 3 4 ASN QD . . 1.800 8.721 8.342 8.999 7.199 3 5 [**+*-] 1
1473 3 2 GLN HA 3 8 LYS QE . . 1.800 11.510 10.945 12.046 10.246 3 5 [**+-*] 1
1474 3 2 GLN QB 3 2 GLN QE . . 1.800 3.433 3.081 3.728 1.928 2 5 [*+**-] 1
1475 3 2 GLN QB 3 2 GLN QG . . 1.800 2.016 1.989 2.030 0.230 5 0 "[ .]" 1
1476 3 2 GLN QB 3 3 TRP HA . . 1.800 4.508 4.243 4.637 2.837 3 5 [*-+**] 1
1477 3 2 GLN QB 3 3 TRP QB . . 1.800 4.036 3.844 4.174 2.374 4 5 [*-*+*] 1
1478 3 2 GLN QB 3 3 TRP HD1 . . 1.800 2.316 2.171 2.523 0.723 2 2 "[ + -.]" 1
1479 3 2 GLN QB 3 3 TRP HE1 . . 1.800 3.538 3.085 4.403 2.603 2 5 [*+**-] 1
1480 3 2 GLN QB 3 3 TRP HE3 . . 1.800 6.350 6.098 6.930 5.130 2 5 [-+***] 1
1481 3 2 GLN QB 3 3 TRP HH2 . . 1.800 7.610 7.130 8.566 6.766 2 5 [*+*-*] 1
1482 3 2 GLN QB 3 3 TRP HZ2 . . 1.800 5.954 5.464 6.918 5.118 2 5 [*+*-*] 1
1483 3 2 GLN QB 3 3 TRP HZ3 . . 1.800 7.736 7.356 8.564 6.764 2 5 [*+*-*] 1
1484 3 2 GLN QB 3 4 ASN HA . . 1.800 6.723 6.399 7.134 5.334 2 5 [*+*-*] 1
1485 3 2 GLN QB 3 4 ASN QD . . 1.800 7.169 6.696 7.490 5.690 2 5 [*+**-] 1
1486 3 2 GLN QB 3 5 LYS QE . . 1.800 4.321 4.194 4.520 2.720 5 5 [-***+] 1
1487 3 2 GLN QB 3 5 LYS QG . . 1.800 4.780 4.362 4.995 3.195 2 5 [*+*-*] 1
1488 3 2 GLN QB 3 6 PRO HA . . 1.800 7.793 7.220 8.329 6.529 2 5 [*+**-] 1
1489 3 2 GLN QE 3 3 TRP HA . . 1.800 7.051 6.740 7.408 5.608 5 5 [**-*+] 1
1490 3 2 GLN QE 3 3 TRP HE1 . . 1.800 4.281 3.263 4.745 2.945 4 5 [*-*+*] 1
1491 3 2 GLN QE 3 4 ASN QB . . 1.800 7.557 7.106 7.962 6.162 2 5 [*+-**] 1
1492 3 2 GLN QE 3 4 ASN QD . . 1.800 6.755 6.729 6.784 4.984 1 5 [+-***] 1
1493 3 2 GLN QE 3 5 LYS HA . . 1.800 3.268 2.777 3.992 2.192 2 5 [*+-**] 1
1494 3 2 GLN QE 3 5 LYS QB . . 1.800 4.367 3.838 5.304 3.504 2 5 [*+-**] 1
1495 3 2 GLN QE 3 5 LYS QD . . 1.800 5.276 4.442 6.186 4.386 2 5 [*+-**] 1
1496 3 2 GLN QE 3 5 LYS QE . . 1.800 4.508 3.427 5.525 3.725 2 5 [-+***] 1
1497 3 2 GLN QE 3 5 LYS QG . . 1.800 3.491 2.550 4.605 2.805 2 5 [*+-**] 1
1498 3 2 GLN QE 3 6 PRO HA . . 1.800 6.166 6.042 6.323 4.523 4 5 [**-+*] 1
1499 3 2 GLN QE 3 6 PRO QD . . 1.800 2.989 2.794 3.147 1.347 2 5 [*+-**] 1
1500 3 2 GLN QE 3 7 SER HA . . 1.800 9.004 8.831 9.207 7.407 2 5 [*+-**] 1
1501 3 2 GLN QE 3 7 SER QB . . 1.800 7.966 7.539 8.471 6.671 2 5 [*+-**] 1
1502 3 2 GLN QG 3 3 TRP HA . . 1.800 4.412 4.195 4.597 2.797 2 5 [*+-**] 1
1503 3 2 GLN QG 3 3 TRP QB . . 1.800 4.106 3.920 4.378 2.578 4 5 [**-+*] 1
1504 3 2 GLN QG 3 3 TRP HD1 . . 1.800 3.007 2.187 3.568 1.768 4 4 "[* -+*]" 1
1505 3 2 GLN QG 3 3 TRP HE1 . . 1.800 2.943 2.480 3.245 1.445 4 5 [***+-] 1
1506 3 2 GLN QG 3 3 TRP HE3 . . 1.800 5.289 4.851 5.973 4.173 2 5 [-+***] 1
1507 3 2 GLN QG 3 3 TRP HH2 . . 1.800 6.189 5.865 6.899 5.099 2 5 [*+**-] 1
1508 3 2 GLN QG 3 3 TRP HZ2 . . 1.800 4.721 4.203 5.170 3.370 2 5 [*+**-] 1
1509 3 2 GLN QG 3 3 TRP HZ3 . . 1.800 6.357 6.012 7.206 5.406 2 5 [-+***] 1
1510 3 2 GLN QG 3 4 ASN HA . . 1.800 5.180 4.693 6.162 4.362 2 5 [*+*-*] 1
1511 3 2 GLN QG 3 4 ASN QD . . 1.800 5.647 5.070 6.038 4.238 2 5 [*+**-] 1
1512 3 2 GLN QG 3 5 LYS QB . . 1.800 4.661 4.077 5.262 3.462 2 5 [*+*-*] 1
1513 3 2 GLN QG 3 5 LYS QD . . 1.800 4.194 3.699 5.027 3.227 2 5 [*+*-*] 1
1514 3 2 GLN QG 3 5 LYS QE . . 1.800 3.385 2.896 4.159 2.359 2 5 [*+*-*] 1
1515 3 2 GLN QG 3 5 LYS QG . . 1.800 3.320 2.548 3.962 2.162 2 5 [*+*-*] 1
1516 3 2 GLN QG 3 6 PRO QB . . 1.800 5.818 5.034 6.298 4.498 1 5 [+***-] 1
1517 3 3 TRP HA 3 3 TRP HD1 . . 1.800 4.150 3.944 4.332 2.532 1 5 [+***-] 1
1518 3 3 TRP HA 3 3 TRP HE3 . . 1.800 4.786 4.557 5.022 3.222 5 5 [**-*+] 1
1519 3 3 TRP HA 3 5 LYS QG . . 1.800 6.042 5.733 6.349 4.549 1 5 [+-***] 1
1520 3 3 TRP HA 3 6 PRO QD . . 1.800 6.258 5.766 6.643 4.843 1 5 [+-***] 1
1521 3 3 TRP QB 3 4 ASN QB . . 1.800 3.984 3.826 4.155 2.355 3 5 [**+-*] 1
1522 3 3 TRP QB 3 4 ASN QD . . 1.800 4.513 4.292 4.705 2.905 2 5 [-+***] 1
1523 3 3 TRP QB 3 5 LYS QG . . 1.800 6.198 6.019 6.313 4.513 3 5 [*-+**] 1
1524 3 3 TRP HD1 3 4 ASN QB . . 1.800 7.041 6.839 7.286 5.486 1 5 [+-***] 1
1525 3 3 TRP HD1 3 4 ASN QD . . 1.800 6.715 6.344 6.965 5.165 3 5 [*-+**] 1
1526 3 3 TRP HD1 3 5 LYS QB . . 1.800 7.651 7.135 7.844 6.044 1 5 [+-***] 1
1527 3 3 TRP HD1 3 5 LYS QD . . 1.800 6.796 6.412 6.932 5.132 1 5 [+-***] 1
1528 3 3 TRP HD1 3 5 LYS QE . . 1.800 6.091 5.747 6.280 4.480 1 5 [+-***] 1
1529 3 3 TRP HD1 3 5 LYS QG . . 1.800 6.534 6.028 6.762 4.962 1 5 [+-***] 1
1530 3 3 TRP HD1 3 6 PRO QD . . 1.800 4.971 4.217 5.365 3.565 1 5 [+-***] 1
1531 3 3 TRP HD1 3 6 PRO QG . . 1.800 6.229 5.302 6.803 5.003 1 5 [+-***] 1
1532 3 3 TRP HD1 3 7 SER QB . . 1.800 10.013 9.738 10.360 8.560 4 5 [*-*+*] 1
1533 3 3 TRP HD1 3 8 LYS HA . . 1.800 9.816 9.471 10.226 8.426 2 5 [-+***] 1
1534 3 3 TRP HD1 3 8 LYS QE . . 1.800 8.307 7.941 8.737 6.937 3 5 [*-+**] 1
1535 3 3 TRP HE1 3 4 ASN HA . . 1.800 7.851 7.665 8.125 6.325 1 5 [+-***] 1
1536 3 3 TRP HE1 3 4 ASN QB . . 1.800 7.716 7.377 8.102 6.302 1 5 [+-***] 1
1537 3 3 TRP HE1 3 4 ASN QD . . 1.800 6.460 5.860 6.927 5.127 3 5 [*-+**] 1
1538 3 3 TRP HE1 3 5 LYS HA . . 1.800 5.813 5.407 5.957 4.157 4 5 [*-*+*] 1
1539 3 3 TRP HE1 3 5 LYS QB . . 1.800 7.496 7.146 7.642 5.842 1 5 [+-***] 1
1540 3 3 TRP HE1 3 5 LYS QD . . 1.800 7.479 7.296 7.561 5.761 1 5 [+-***] 1
1541 3 3 TRP HE1 3 5 LYS QE . . 1.800 7.054 7.037 7.078 5.278 5 5 [**-*+] 1
1542 3 3 TRP HE1 3 5 LYS QG . . 1.800 6.772 6.593 6.868 5.068 5 5 [*-**+] 1
1543 3 3 TRP HE1 3 6 PRO QB . . 1.800 6.387 5.468 6.904 5.104 1 5 [+-***] 1
1544 3 3 TRP HE1 3 6 PRO QD . . 1.800 3.826 3.241 4.123 2.323 1 5 [+-***] 1
1545 3 3 TRP HE1 3 6 PRO QG . . 1.800 4.434 3.455 5.054 3.254 1 5 [+-***] 1
1546 3 3 TRP HE1 3 7 SER QB . . 1.800 9.718 9.321 10.109 8.309 4 5 [*-*+*] 1
1547 3 3 TRP HE1 3 8 LYS QE . . 1.800 7.168 6.572 7.693 5.893 3 5 [*-+**] 1
1548 3 3 TRP HE1 3 9 PRO QD . . 1.800 9.155 8.840 9.404 7.604 3 5 [*-+**] 1
1549 3 3 TRP HE3 3 4 ASN HA . . 1.800 4.730 4.422 5.094 3.294 5 5 [**-*+] 1
1550 3 3 TRP HE3 3 4 ASN QB . . 1.800 3.750 3.635 3.843 2.043 1 5 [+-***] 1
1551 3 3 TRP HE3 3 4 ASN QD . . 1.800 2.823 2.490 3.188 1.388 2 5 [-+***] 1
1552 3 3 TRP HE3 3 5 LYS QB . . 1.800 6.747 6.041 7.404 5.604 5 5 [-***+] 1
1553 3 3 TRP HE3 3 5 LYS QD . . 1.800 6.150 5.678 6.659 4.859 5 5 [-***+] 1
1554 3 3 TRP HE3 3 5 LYS QG . . 1.800 7.002 6.408 7.620 5.820 5 5 [-***+] 1
1555 3 3 TRP HE3 3 6 PRO QB . . 1.800 6.515 6.072 6.973 5.173 5 5 [-***+] 1
1556 3 3 TRP HE3 3 6 PRO QD . . 1.800 4.211 4.014 4.551 2.751 5 5 [***-+] 1
1557 3 3 TRP HE3 3 7 SER QB . . 1.800 6.924 5.890 7.783 5.983 5 5 [-***+] 1
1558 3 3 TRP HE3 3 8 LYS HA . . 1.800 5.158 4.537 5.945 4.145 2 5 [-+***] 1
1559 3 3 TRP HE3 3 8 LYS QE . . 1.800 5.136 4.473 5.635 3.835 3 5 [**+-*] 1
1560 3 3 TRP HH2 3 4 ASN QB . . 1.800 6.736 6.428 7.086 5.286 1 5 [+***-] 1
1561 3 3 TRP HH2 3 4 ASN QD . . 1.800 4.022 3.493 4.496 2.696 3 5 [**+*-] 1
1562 3 3 TRP HH2 3 5 LYS HA . . 1.800 6.656 5.970 7.434 5.634 2 5 [-+***] 1
1563 3 3 TRP HH2 3 5 LYS QB . . 1.800 7.637 7.121 8.242 6.442 2 5 [-+***] 1
1564 3 3 TRP HH2 3 5 LYS QD . . 1.800 8.346 8.061 8.755 6.955 2 5 [*+-**] 1
1565 3 3 TRP HH2 3 5 LYS QE . . 1.800 9.140 8.805 9.652 7.852 2 5 [-+***] 1
1566 3 3 TRP HH2 3 5 LYS QG . . 1.800 8.242 7.714 8.892 7.092 2 5 [-+***] 1
1567 3 3 TRP HH2 3 6 PRO HA . . 1.800 3.263 2.523 3.883 2.083 2 5 [-+***] 1
1568 3 3 TRP HH2 3 6 PRO QD . . 1.800 3.486 3.183 3.955 2.155 2 5 [-+***] 1
1569 3 3 TRP HH2 3 6 PRO QG . . 1.800 3.031 2.557 3.787 1.987 2 5 [*+*-*] 1
1570 3 3 TRP HH2 3 7 SER QB . . 1.800 7.646 7.159 8.001 6.201 2 5 [-+***] 1
1571 3 3 TRP HH2 3 8 LYS HA . . 1.800 5.596 5.380 5.967 4.167 2 5 [-+***] 1
1572 3 3 TRP HZ2 3 4 ASN HA . . 1.800 8.232 8.027 8.490 6.690 1 5 [+***-] 1
1573 3 3 TRP HZ2 3 4 ASN QB . . 1.800 7.582 7.198 8.022 6.222 1 5 [+***-] 1
1574 3 3 TRP HZ2 3 4 ASN QD . . 1.800 5.414 4.794 5.970 4.170 3 5 [*-+**] 1
1575 3 3 TRP HZ2 3 5 LYS HA . . 1.800 6.113 5.876 6.387 4.587 2 5 [-+***] 1
1576 3 3 TRP HZ2 3 5 LYS QB . . 1.800 7.585 7.446 7.739 5.939 2 5 [*+-**] 1
1577 3 3 TRP HZ2 3 5 LYS QD . . 1.800 8.186 8.090 8.321 6.521 2 5 [*+-**] 1
1578 3 3 TRP HZ2 3 5 LYS QE . . 1.800 8.419 8.238 8.740 6.940 2 5 [-+***] 1
1579 3 3 TRP HZ2 3 5 LYS QG . . 1.800 7.630 7.395 7.944 6.144 2 5 [-+***] 1
1580 3 3 TRP HZ2 3 6 PRO HA . . 1.800 4.468 4.252 5.046 3.246 4 5 [*-*+*] 1
1581 3 3 TRP HZ2 3 6 PRO QB . . 1.800 4.601 4.155 4.899 3.099 4 5 [*-*+*] 1
1582 3 3 TRP HZ2 3 6 PRO QD . . 1.800 3.137 3.084 3.239 1.439 4 5 [**-+*] 1
1583 3 3 TRP HZ2 3 7 SER QB . . 1.800 8.790 8.654 9.182 7.382 4 5 [*-*+*] 1
1584 3 3 TRP HZ2 3 8 LYS HA . . 1.800 7.661 7.401 7.881 6.081 2 5 [*+**-] 1
1585 3 3 TRP HZ2 3 8 LYS QE . . 1.800 4.960 4.274 5.527 3.727 3 5 [*-+**] 1
1586 3 3 TRP HZ3 3 4 ASN HA . . 1.800 6.237 5.968 6.521 4.721 2 5 [*+-**] 1
1587 3 3 TRP HZ3 3 4 ASN QB . . 1.800 4.875 4.770 5.000 3.200 1 5 [+-***] 1
1588 3 3 TRP HZ3 3 4 ASN QD . . 1.800 2.259 2.053 2.465 0.665 2 2 "[ +- .]" 1
1589 3 3 TRP HZ3 3 5 LYS HA . . 1.800 6.577 5.501 7.575 5.775 2 5 [-+***] 1
1590 3 3 TRP HZ3 3 5 LYS QB . . 1.800 7.157 6.279 8.030 6.230 2 5 [-+***] 1
1591 3 3 TRP HZ3 3 5 LYS QG . . 1.800 7.889 7.116 8.693 6.893 2 5 [-+***] 1
1592 3 3 TRP HZ3 3 6 PRO HA . . 1.800 3.527 2.393 4.593 2.793 2 5 [-+***] 1
1593 3 3 TRP HZ3 3 6 PRO QD . . 1.800 3.953 3.570 4.496 2.696 5 5 [***-+] 1
1594 3 3 TRP HZ3 3 6 PRO QG . . 1.800 4.607 4.130 5.313 3.513 2 5 [*+*-*] 1
1595 3 3 TRP HZ3 3 7 SER QB . . 1.800 6.574 5.447 7.498 5.698 2 5 [-+***] 1
1596 3 3 TRP HZ3 3 8 LYS HA . . 1.800 3.936 3.378 4.750 2.950 2 5 [-+***] 1
1597 3 4 ASN HA 3 4 ASN QD . . 1.800 3.669 3.624 3.752 1.952 3 5 [**+*-] 1
1598 3 4 ASN HA 3 5 LYS HA . . 1.800 4.839 4.773 4.901 3.101 2 5 [*+-**] 1
1599 3 4 ASN HA 3 5 LYS QB . . 1.800 3.931 3.821 4.030 2.230 2 5 [*+-**] 1
1600 3 4 ASN HA 3 5 LYS QD . . 1.800 2.470 2.263 2.635 0.835 2 4 "[*+- *]" 1
1601 3 4 ASN HA 3 5 LYS QE . . 1.800 4.310 4.022 4.466 2.666 1 5 [+**-*] 1
1602 3 4 ASN HA 3 5 LYS QG . . 1.800 4.520 4.314 4.664 2.864 2 5 [*+*-*] 1
1603 3 4 ASN HA 3 6 PRO QD . . 1.800 5.257 4.968 5.699 3.899 1 5 [+-***] 1
1604 3 4 ASN HA 3 6 PRO QG . . 1.800 7.154 6.939 7.519 5.719 1 5 [+-***] 1
1605 3 4 ASN QB 3 5 LYS HA . . 1.800 5.689 5.663 5.705 3.905 4 5 [**-+*] 1
1606 3 4 ASN QB 3 5 LYS QG . . 1.800 5.680 5.533 5.787 3.987 2 5 [*+*-*] 1
1607 3 4 ASN QB 3 6 PRO QD . . 1.800 5.314 4.906 5.837 4.037 1 5 [+-***] 1
1608 3 4 ASN QB 3 7 SER QB . . 1.800 3.799 3.269 4.210 2.410 5 5 [-***+] 1
1609 3 4 ASN QD 3 5 LYS HA . . 1.800 4.883 4.692 5.133 3.333 3 5 [*-+**] 1
1610 3 4 ASN QD 3 5 LYS QB . . 1.800 4.657 4.571 4.801 3.001 3 5 [*-+**] 1
1611 3 4 ASN QD 3 5 LYS QE . . 1.800 6.488 6.333 6.703 4.903 3 5 [**+*-] 1
1612 3 4 ASN QD 3 5 LYS QG . . 1.800 5.835 5.734 6.040 4.240 3 5 [**+-*] 1
1613 3 4 ASN QD 3 6 PRO HA . . 1.800 3.093 2.676 3.611 1.811 3 5 [*-+**] 1
1614 3 4 ASN QD 3 6 PRO QB . . 1.800 4.701 4.365 5.147 3.347 3 5 [*-+**] 1
1615 3 4 ASN QD 3 6 PRO QD . . 1.800 3.709 3.100 4.415 2.615 3 5 [*-+**] 1
1616 3 4 ASN QD 3 7 SER HA . . 1.800 4.515 4.092 4.767 2.967 2 5 [-+***] 1
1617 3 4 ASN QD 3 7 SER QB . . 1.800 3.555 2.979 3.963 2.163 5 5 [-***+] 1
1618 3 4 ASN QD 3 8 LYS HA . . 1.800 2.369 2.118 2.960 1.160 2 2 "[ + -]" 1
1619 3 5 LYS HA 3 5 LYS QD . . 1.800 3.494 3.429 3.597 1.797 4 5 [-**+*] 1
1620 3 5 LYS HA 3 5 LYS QG . . 1.800 2.295 2.275 2.351 0.551 4 1 "[ +.]" 1
1621 3 5 LYS HA 3 6 PRO HA . . 1.800 4.691 4.565 4.767 2.967 4 5 [-**+*] 1
1622 3 5 LYS HA 3 6 PRO QB . . 1.800 4.499 4.455 4.528 2.728 1 5 [+-***] 1
1623 3 5 LYS HA 3 6 PRO QD . . 1.800 2.083 2.038 2.153 0.353 4 0 "[ .]" 1
1624 3 5 LYS HA 3 6 PRO QG . . 1.800 3.966 3.806 4.047 2.247 4 5 [*-*+*] 1
1625 3 5 LYS QB 3 5 LYS QE . . 1.800 3.698 3.690 3.710 1.910 2 5 [*+-**] 1
1626 3 5 LYS QB 3 5 LYS QG . . 1.800 2.026 2.024 2.029 0.229 4 0 "[ .]" 1
1627 3 5 LYS QB 3 6 PRO HA . . 1.800 5.302 5.239 5.347 3.547 1 5 [+**-*] 1
1628 3 5 LYS QB 3 6 PRO QB . . 1.800 4.836 4.682 4.910 3.110 4 5 [-**+*] 1
1629 3 5 LYS QB 3 6 PRO QD . . 1.800 3.733 3.504 3.866 2.066 2 5 [-+***] 1
1630 3 5 LYS QB 3 7 SER HA . . 1.800 5.711 5.565 5.950 4.150 1 5 [+-***] 1
1631 3 5 LYS QB 3 7 SER QB . . 1.800 3.914 3.634 4.250 2.450 1 5 [+***-] 1
1632 3 5 LYS QD 3 5 LYS QE . . 1.800 2.118 2.116 2.121 0.321 5 0 "[ .]" 1
1633 3 5 LYS QD 3 5 LYS QG . . 1.800 2.111 2.109 2.115 0.315 4 0 "[ .]" 1
1634 3 5 LYS QE 3 5 LYS QG . . 1.800 2.077 2.060 2.102 0.302 2 0 "[ .]" 1
1635 3 5 LYS QE 3 6 PRO HA . . 1.800 7.816 7.739 7.854 6.054 3 5 [**+*-] 1
1636 3 5 LYS QE 3 6 PRO QD . . 1.800 5.216 5.135 5.365 3.565 4 5 [***+-] 1
1637 3 5 LYS QG 3 6 PRO HA . . 1.800 6.473 6.428 6.511 4.711 2 5 [-+***] 1
1638 3 5 LYS QG 3 6 PRO QD . . 1.800 3.954 3.810 4.104 2.304 4 5 [-**+*] 1
1639 3 5 LYS QG 3 6 PRO QG . . 1.800 5.599 5.482 5.790 3.990 4 5 [*-*+*] 1
1640 3 5 LYS QG 3 7 SER HA . . 1.800 7.743 7.606 7.935 6.135 1 5 [+-***] 1
1641 3 5 LYS QG 3 7 SER QB . . 1.800 5.866 5.629 6.155 4.355 1 5 [+***-] 1
1642 3 6 PRO HA 3 6 PRO QD . . 1.800 2.557 2.414 2.697 0.897 3 5 [*-+**] 1
1643 3 6 PRO HA 3 8 LYS QE . . 1.800 4.493 3.515 4.991 3.191 1 5 [+-***] 1
1644 3 6 PRO QB 3 7 SER HA . . 1.800 4.656 4.582 4.715 2.915 4 5 [-**+*] 1
1645 3 6 PRO QB 3 7 SER QB . . 1.800 5.436 5.398 5.532 3.732 4 5 [**-+*] 1
1646 3 6 PRO QB 3 8 LYS QE . . 1.800 5.033 3.955 5.583 3.783 1 5 [+-***] 1
1647 3 6 PRO QD 3 6 PRO QG . . 1.800 1.966 1.962 1.970 0.170 2 0 "[ .]" 1
1648 3 6 PRO QD 3 7 SER HA . . 1.800 6.124 6.043 6.196 4.396 1 5 [+-***] 1
1649 3 7 SER HA 3 8 LYS QD . . 1.800 5.564 5.211 5.771 3.971 4 5 [***+-] 1
1650 3 7 SER HA 3 8 LYS QE . . 1.800 6.713 5.965 7.024 5.224 1 5 [+-***] 1
1651 3 7 SER HA 3 8 LYS QG . . 1.800 4.153 4.051 4.271 2.471 1 5 [+**-*] 1
1652 3 7 SER HA 3 9 PRO QD . . 1.800 5.050 4.704 5.232 3.432 1 5 [+-***] 1
1653 3 7 SER QB 3 8 LYS QG . . 1.800 5.022 4.919 5.136 3.336 1 5 [+**-*] 1
1654 3 8 LYS HA 3 8 LYS QE . . 1.800 4.076 3.805 4.345 2.545 5 5 [***-+] 1
1655 3 8 LYS HA 3 8 LYS QG . . 1.800 2.559 2.387 3.056 1.256 2 5 [*+*-*] 1
1656 3 8 LYS HA 3 9 PRO QB . . 1.800 4.759 4.644 4.884 3.084 2 5 [*+**-] 1
1657 3 8 LYS HA 3 9 PRO QD . . 1.800 2.106 2.015 2.379 0.579 2 1 "[ + .]" 1
1658 3 8 LYS HA 3 9 PRO QG . . 1.800 4.007 3.899 4.262 2.462 2 5 [*+*-*] 1
1659 3 8 LYS QB 3 8 LYS QE . . 1.800 2.604 2.134 3.878 2.078 2 3 "[-+ *]" 1
1660 3 8 LYS QB 3 8 LYS QG . . 1.800 2.099 2.003 2.126 0.326 3 0 "[ .]" 1
1661 3 8 LYS QB 3 9 PRO QD . . 1.800 3.599 3.508 3.916 2.116 2 5 [-+***] 1
1662 3 8 LYS QB 3 11 THR HB . . 1.800 4.320 4.129 4.622 2.822 5 5 [-***+] 1
1663 3 8 LYS QD 3 8 LYS QG . . 1.800 2.038 1.999 2.126 0.326 2 0 "[ .]" 1
1664 3 8 LYS QE 3 8 LYS QG . . 1.800 2.300 2.279 2.310 0.510 4 4 "[ -*+*]" 1
1665 3 8 LYS QE 3 9 PRO QD . . 1.800 5.037 4.701 5.355 3.555 2 5 [*+*-*] 1
1666 3 8 LYS QG 3 9 PRO QD . . 1.800 3.989 3.744 4.478 2.678 2 5 [*+**-] 1
1667 3 8 LYS QG 3 9 PRO QG . . 1.800 5.664 5.489 5.989 4.189 2 5 [*+**-] 1
1668 3 8 LYS QG 3 11 THR HB . . 1.800 6.068 5.526 6.713 4.913 5 5 [*-**+] 1
1669 3 9 PRO HA 3 9 PRO QD . . 1.800 3.367 3.322 3.413 1.613 5 5 [-***+] 1
1670 3 9 PRO QB 3 10 LYS QE . . 1.800 3.202 2.450 5.376 3.576 5 5 [**-*+] 1
1671 3 9 PRO QB 3 11 THR HB . . 1.800 8.174 7.846 8.369 6.569 1 5 [+***-] 1
1672 3 9 PRO QB 3 11 THR MG . . 1.800 5.594 4.958 6.086 4.286 1 5 [+***-] 1
1673 3 9 PRO QD 3 9 PRO QG . . 1.800 2.001 1.988 2.010 0.210 2 0 "[ .]" 1
1674 3 9 PRO QD 3 10 LYS HA . . 1.800 5.355 5.115 5.533 3.733 1 5 [+**-*] 1
1675 3 9 PRO QD 3 11 THR HA . . 1.800 5.503 5.372 5.719 3.919 4 5 [-**+*] 1
1676 3 9 PRO QG 3 11 THR MG . . 1.800 6.215 5.575 6.686 4.886 1 5 [+***-] 1
1677 3 10 LYS HA 3 10 LYS QE . . 1.800 4.271 4.011 5.141 3.341 5 5 [**-*+] 1
1678 3 10 LYS HA 3 10 LYS QG . . 1.800 3.501 3.474 3.513 1.713 3 5 [**+*-] 1
1679 3 10 LYS QB 3 10 LYS QE . . 1.800 2.457 2.054 3.896 2.096 5 1 "[ +]" 1
1680 3 10 LYS QB 3 10 LYS QG . . 1.800 2.011 1.994 2.026 0.226 1 0 "[ .]" 1
1681 3 10 LYS QB 3 11 THR MG . . 1.800 5.039 4.976 5.114 3.314 1 5 [+***-] 1
1682 3 10 LYS QB 3 12 ASN HA . . 1.800 4.826 4.669 4.996 3.196 5 5 [*-**+] 1
1683 3 10 LYS QB 3 12 ASN QD . . 1.800 5.944 4.668 6.509 4.709 5 5 [-***+] 1
1684 3 10 LYS QD 3 10 LYS QG . . 1.800 2.025 1.996 2.107 0.307 5 0 "[ .]" 1
1685 3 10 LYS QD 3 11 THR HA . . 1.800 4.867 3.841 5.405 3.605 1 5 [+***-] 1
1686 3 10 LYS QD 3 12 ASN QD . . 1.800 3.884 2.818 4.602 2.802 5 5 [-***+] 1
1687 3 10 LYS QE 3 10 LYS QG . . 1.800 2.328 2.274 2.362 0.562 2 4 "[ +**-]" 1
1688 3 10 LYS QE 3 11 THR HB . . 1.800 7.971 6.606 8.470 6.670 1 5 [+***-] 1
1689 3 10 LYS QG 3 11 THR HB . . 1.800 6.283 6.003 7.112 5.312 5 5 [-***+] 1
1690 3 11 THR HA 3 11 THR MG . . 1.800 2.281 2.244 2.317 0.517 5 2 "[ -+]" 1
1691 3 11 THR HA 3 12 ASN QD . . 1.800 5.052 3.747 5.715 3.915 2 5 [-+***] 1
1692 3 11 THR HB 3 12 ASN QD . . 1.800 6.440 5.391 7.392 5.592 2 5 [-+***] 1
1693 3 11 THR MG 3 12 ASN QD . . 1.800 6.241 5.169 6.801 5.001 2 5 [-+***] 1
1694 3 12 ASN HA 3 12 ASN QD . . 1.800 3.502 2.848 4.136 2.336 3 5 [-*+**] 1
1695 4 1 GLY QA 4 2 GLN HA . . 1.800 4.079 4.029 4.097 2.297 5 5 [***-+] 1
1696 4 1 GLY QA 4 2 GLN QB . . 1.800 4.145 3.915 4.267 2.467 1 5 [+**-*] 1
1697 4 1 GLY QA 4 2 GLN QE . . 1.800 4.745 4.209 4.982 3.182 5 5 [***-+] 1
1698 4 1 GLY QA 4 2 GLN QG . . 1.800 4.675 4.536 4.876 3.076 5 5 [***-+] 1
1699 4 1 GLY QA 4 3 TRP HD1 . . 1.800 7.143 6.982 7.229 5.429 5 5 [***-+] 1
1700 4 1 GLY QA 4 3 TRP HE1 . . 1.800 7.899 7.423 8.310 6.510 5 5 [***-+] 1
1701 4 1 GLY QA 4 3 TRP HE3 . . 1.800 9.718 9.562 9.841 8.041 1 5 [+**-*] 1
1702 4 1 GLY QA 4 3 TRP HH2 . . 1.800 11.093 10.504 11.543 9.743 5 5 [***-+] 1
1703 4 1 GLY QA 4 3 TRP HZ2 . . 1.800 9.756 9.110 10.320 8.520 5 5 [***-+] 1
1704 4 1 GLY QA 4 3 TRP HZ3 . . 1.800 11.031 10.698 11.142 9.342 5 5 [***-+] 1
1705 4 1 GLY QA 4 4 ASN QD . . 1.800 9.062 8.678 9.672 7.872 5 5 [*-**+] 1
1706 4 2 GLN HA 4 2 GLN QE . . 1.800 5.280 5.150 5.486 3.686 5 5 [*-**+] 1
1707 4 2 GLN HA 4 2 GLN QG . . 1.800 3.535 3.523 3.545 1.745 4 5 [**-+*] 1
1708 4 2 GLN HA 4 3 TRP HA . . 1.800 4.464 4.402 4.654 2.854 5 5 [-***+] 1
1709 4 2 GLN HA 4 3 TRP QB . . 1.800 4.855 4.782 4.925 3.125 2 5 [*+**-] 1
1710 4 2 GLN HA 4 3 TRP HD1 . . 1.800 3.816 3.719 3.985 2.185 5 5 [***-+] 1
1711 4 2 GLN HA 4 3 TRP HE1 . . 1.800 5.395 5.078 5.889 4.089 5 5 [***-+] 1
1712 4 2 GLN HA 4 3 TRP HE3 . . 1.800 7.847 7.787 7.955 6.155 2 5 [*+-**] 1
1713 4 2 GLN HA 4 4 ASN QD . . 1.800 8.551 8.310 8.938 7.138 5 5 [*-**+] 1
1714 4 2 GLN HA 4 8 LYS QE . . 1.800 10.981 10.651 11.895 10.095 5 5 [**-*+] 1
1715 4 2 GLN QB 4 2 GLN QE . . 1.800 3.210 3.070 3.454 1.654 5 5 [*-**+] 1
1716 4 2 GLN QB 4 2 GLN QG . . 1.800 2.027 2.008 2.036 0.236 2 0 "[ .]" 1
1717 4 2 GLN QB 4 3 TRP HA . . 1.800 4.525 4.473 4.627 2.827 5 5 [*-**+] 1
1718 4 2 GLN QB 4 3 TRP QB . . 1.800 4.126 4.027 4.171 2.371 1 5 [+***-] 1
1719 4 2 GLN QB 4 3 TRP HD1 . . 1.800 2.252 2.182 2.282 0.482 1 0 "[ .]" 1
1720 4 2 GLN QB 4 3 TRP HE1 . . 1.800 2.995 2.717 3.474 1.674 5 5 [***-+] 1
1721 4 2 GLN QB 4 3 TRP HE3 . . 1.800 6.128 6.086 6.202 4.402 2 5 [*+-**] 1
1722 4 2 GLN QB 4 3 TRP HH2 . . 1.800 7.080 6.817 7.491 5.691 5 5 [***-+] 1
1723 4 2 GLN QB 4 3 TRP HZ2 . . 1.800 5.375 5.057 5.893 4.093 5 5 [***-+] 1
1724 4 2 GLN QB 4 3 TRP HZ3 . . 1.800 7.358 7.233 7.535 5.735 5 5 [***-+] 1
1725 4 2 GLN QB 4 4 ASN HA . . 1.800 6.720 6.562 6.947 5.147 4 5 [**-+*] 1
1726 4 2 GLN QB 4 4 ASN QD . . 1.800 6.878 6.629 7.326 5.526 5 5 [*-**+] 1
1727 4 2 GLN QB 4 5 LYS QE . . 1.800 4.351 4.195 4.475 2.675 4 5 [***+-] 1
1728 4 2 GLN QB 4 5 LYS QG . . 1.800 4.573 4.385 4.849 3.049 5 5 [-***+] 1
1729 4 2 GLN QB 4 6 PRO HA . . 1.800 7.439 7.308 7.704 5.904 5 5 [**-*+] 1
1730 4 2 GLN QE 4 3 TRP HA . . 1.800 7.254 6.844 7.401 5.601 1 5 [+***-] 1
1731 4 2 GLN QE 4 3 TRP HE1 . . 1.800 4.423 4.179 4.613 2.813 3 5 [*-+**] 1
1732 4 2 GLN QE 4 4 ASN QB . . 1.800 7.776 7.263 8.009 6.209 2 5 [*+**-] 1
1733 4 2 GLN QE 4 4 ASN QD . . 1.800 6.747 6.733 6.773 4.973 5 5 [***-+] 1
1734 4 2 GLN QE 4 5 LYS HA . . 1.800 3.437 2.862 3.769 1.969 2 5 [*+**-] 1
1735 4 2 GLN QE 4 5 LYS QB . . 1.800 4.430 3.847 4.822 3.022 2 5 [*+**-] 1
1736 4 2 GLN QE 4 5 LYS QD . . 1.800 5.573 4.552 6.063 4.263 2 5 [*+**-] 1
1737 4 2 GLN QE 4 5 LYS QE . . 1.800 4.880 3.584 5.447 3.647 2 5 [*+**-] 1
1738 4 2 GLN QE 4 5 LYS QG . . 1.800 3.747 2.644 4.305 2.505 2 5 [*+**-] 1
1739 4 2 GLN QE 4 6 PRO HA . . 1.800 6.255 6.085 6.354 4.554 4 5 [***+-] 1
1740 4 2 GLN QE 4 6 PRO QD . . 1.800 3.078 2.817 3.301 1.501 4 5 [***+-] 1
1741 4 2 GLN QE 4 7 SER HA . . 1.800 9.127 8.887 9.347 7.547 4 5 [**-+*] 1
1742 4 2 GLN QE 4 7 SER QB . . 1.800 8.250 7.780 8.569 6.769 4 5 [***+-] 1
1743 4 2 GLN QG 4 3 TRP HA . . 1.800 4.458 4.169 4.580 2.780 1 5 [+***-] 1
1744 4 2 GLN QG 4 3 TRP QB . . 1.800 4.242 3.933 4.403 2.603 1 5 [+***-] 1
1745 4 2 GLN QG 4 3 TRP HD1 . . 1.800 3.376 3.085 3.534 1.734 1 5 [+***-] 1
1746 4 2 GLN QG 4 3 TRP HE1 . . 1.800 2.886 2.653 3.121 1.321 3 5 [**+-*] 1
1747 4 2 GLN QG 4 3 TRP HE3 . . 1.800 5.161 4.852 5.347 3.547 2 5 [*+**-] 1
1748 4 2 GLN QG 4 3 TRP HH2 . . 1.800 5.789 5.416 6.106 4.306 5 5 [***-+] 1
1749 4 2 GLN QG 4 3 TRP HZ2 . . 1.800 4.352 3.924 4.815 3.015 5 5 [***-+] 1
1750 4 2 GLN QG 4 3 TRP HZ3 . . 1.800 6.059 5.852 6.202 4.402 2 5 [*+*-*] 1
1751 4 2 GLN QG 4 4 ASN HA . . 1.800 5.111 4.894 5.421 3.621 4 5 [**-+*] 1
1752 4 2 GLN QG 4 4 ASN QD . . 1.800 5.320 5.069 5.758 3.958 5 5 [*-**+] 1
1753 4 2 GLN QG 4 5 LYS QB . . 1.800 4.310 4.083 4.628 2.828 5 5 [-***+] 1
1754 4 2 GLN QG 4 5 LYS QD . . 1.800 4.044 3.837 4.347 2.547 4 5 [**-+*] 1
1755 4 2 GLN QG 4 5 LYS QE . . 1.800 3.344 2.995 3.696 1.896 4 5 [***+-] 1
1756 4 2 GLN QG 4 5 LYS QG . . 1.800 3.005 2.733 3.280 1.480 5 5 [**-*+] 1
1757 4 2 GLN QG 4 6 PRO QB . . 1.800 5.388 5.049 6.080 4.280 5 5 [*-**+] 1
1758 4 3 TRP HA 4 3 TRP HD1 . . 1.800 3.980 3.816 4.304 2.504 5 5 [***-+] 1
1759 4 3 TRP HA 4 3 TRP HE3 . . 1.800 4.949 4.604 5.107 3.307 4 5 [***+-] 1
1760 4 3 TRP HA 4 5 LYS QG . . 1.800 5.874 5.661 6.321 4.521 5 5 [***-+] 1
1761 4 3 TRP HA 4 6 PRO QD . . 1.800 6.070 5.878 6.441 4.641 5 5 [*-**+] 1
1762 4 3 TRP QB 4 4 ASN QB . . 1.800 3.857 3.732 4.107 2.307 5 5 [***-+] 1
1763 4 3 TRP QB 4 4 ASN QD . . 1.800 4.593 4.358 4.684 2.884 3 5 [**+*-] 1
1764 4 3 TRP QB 4 5 LYS QG . . 1.800 6.136 6.034 6.301 4.501 5 5 [***-+] 1
1765 4 3 TRP HD1 4 4 ASN QB . . 1.800 7.031 6.947 7.261 5.461 5 5 [*-**+] 1
1766 4 3 TRP HD1 4 4 ASN QD . . 1.800 6.827 6.581 6.948 5.148 5 5 [*-**+] 1
1767 4 3 TRP HD1 4 5 LYS QB . . 1.800 7.761 7.689 7.866 6.066 4 5 [*-*+*] 1
1768 4 3 TRP HD1 4 5 LYS QD . . 1.800 6.888 6.816 6.943 5.143 4 5 [-**+*] 1
1769 4 3 TRP HD1 4 5 LYS QE . . 1.800 6.095 6.032 6.228 4.428 5 5 [*-**+] 1
1770 4 3 TRP HD1 4 5 LYS QG . . 1.800 6.582 6.450 6.745 4.945 5 5 [-***+] 1
1771 4 3 TRP HD1 4 6 PRO QD . . 1.800 5.075 4.913 5.238 3.438 4 5 [*-*+*] 1
1772 4 3 TRP HD1 4 6 PRO QG . . 1.800 6.319 6.036 6.533 4.733 5 5 [*-**+] 1
1773 4 3 TRP HD1 4 7 SER QB . . 1.800 10.221 9.931 10.349 8.549 1 5 [+***-] 1
1774 4 3 TRP HD1 4 8 LYS HA . . 1.800 9.707 9.563 9.801 8.001 3 5 [*-+**] 1
1775 4 3 TRP HD1 4 8 LYS QE . . 1.800 8.126 7.796 8.582 6.782 5 5 [**-*+] 1
1776 4 3 TRP HE1 4 4 ASN HA . . 1.800 8.017 7.906 8.174 6.374 4 5 [*-*+*] 1
1777 4 3 TRP HE1 4 4 ASN QB . . 1.800 7.763 7.595 8.066 6.266 5 5 [*-**+] 1
1778 4 3 TRP HE1 4 4 ASN QD . . 1.800 6.590 6.221 6.902 5.102 5 5 [*-**+] 1
1779 4 3 TRP HE1 4 5 LYS HA . . 1.800 5.968 5.878 6.170 4.370 4 5 [***+-] 1
1780 4 3 TRP HE1 4 5 LYS QB . . 1.800 7.644 7.585 7.819 6.019 4 5 [*-*+*] 1
1781 4 3 TRP HE1 4 5 LYS QD . . 1.800 7.607 7.546 7.719 5.919 4 5 [-**+*] 1
1782 4 3 TRP HE1 4 5 LYS QE . . 1.800 7.065 7.044 7.078 5.278 2 5 [*+**-] 1
1783 4 3 TRP HE1 4 5 LYS QG . . 1.800 6.830 6.726 6.878 5.078 4 5 [-**+*] 1
1784 4 3 TRP HE1 4 6 PRO QB . . 1.800 6.609 6.361 6.914 5.114 4 5 [*-*+*] 1
1785 4 3 TRP HE1 4 6 PRO QD . . 1.800 4.051 3.926 4.329 2.529 4 5 [*-*+*] 1
1786 4 3 TRP HE1 4 6 PRO QG . . 1.800 4.634 4.340 4.925 3.125 4 5 [*-*+*] 1
1787 4 3 TRP HE1 4 7 SER QB . . 1.800 10.047 9.772 10.254 8.454 4 5 [***+-] 1
1788 4 3 TRP HE1 4 8 LYS QE . . 1.800 6.988 6.758 7.559 5.759 5 5 [**-*+] 1
1789 4 3 TRP HE1 4 9 PRO QD . . 1.800 9.076 8.790 9.270 7.470 5 5 [*-**+] 1
1790 4 3 TRP HE3 4 4 ASN HA . . 1.800 4.835 4.514 5.013 3.213 2 5 [*+**-] 1
1791 4 3 TRP HE3 4 4 ASN QB . . 1.800 3.729 3.640 3.858 2.058 5 5 [**-*+] 1
1792 4 3 TRP HE3 4 4 ASN QD . . 1.800 2.874 2.533 3.007 1.207 4 5 [***+-] 1
1793 4 3 TRP HE3 4 5 LYS QB . . 1.800 6.857 6.161 7.226 5.426 2 5 [*+**-] 1
1794 4 3 TRP HE3 4 5 LYS QD . . 1.800 6.304 5.800 6.557 4.757 2 5 [*+**-] 1
1795 4 3 TRP HE3 4 5 LYS QG . . 1.800 7.056 6.568 7.385 5.585 2 5 [*+**-] 1
1796 4 3 TRP HE3 4 6 PRO QB . . 1.800 6.323 6.002 6.552 4.752 2 5 [*+**-] 1
1797 4 3 TRP HE3 4 6 PRO QD . . 1.800 3.914 3.732 4.052 2.252 2 5 [*+*-*] 1
1798 4 3 TRP HE3 4 7 SER QB . . 1.800 6.965 6.035 7.436 5.636 2 5 [*+**-] 1
1799 4 3 TRP HE3 4 8 LYS HA . . 1.800 4.934 4.644 5.044 3.244 2 5 [*+**-] 1
1800 4 3 TRP HE3 4 8 LYS QE . . 1.800 4.821 4.307 5.582 3.782 5 5 [**-*+] 1
1801 4 3 TRP HH2 4 4 ASN QB . . 1.800 6.842 6.711 7.095 5.295 5 5 [*-**+] 1
1802 4 3 TRP HH2 4 4 ASN QD . . 1.800 4.128 3.853 4.483 2.683 5 5 [*-**+] 1
1803 4 3 TRP HH2 4 5 LYS HA . . 1.800 6.731 6.213 7.167 5.367 2 5 [*+**-] 1
1804 4 3 TRP HH2 4 5 LYS QB . . 1.800 7.807 7.289 8.155 6.355 2 5 [*+**-] 1
1805 4 3 TRP HH2 4 5 LYS QD . . 1.800 8.529 8.237 8.735 6.935 2 5 [*+**-] 1
1806 4 3 TRP HH2 4 5 LYS QE . . 1.800 9.210 8.941 9.444 7.644 2 5 [*+**-] 1
1807 4 3 TRP HH2 4 5 LYS QG . . 1.800 8.317 7.945 8.669 6.869 2 5 [*+**-] 1
1808 4 3 TRP HH2 4 6 PRO HA . . 1.800 3.590 2.662 4.043 2.243 2 5 [*+**-] 1
1809 4 3 TRP HH2 4 6 PRO QD . . 1.800 3.455 3.287 3.785 1.985 2 5 [*+**-] 1
1810 4 3 TRP HH2 4 6 PRO QG . . 1.800 2.756 2.542 2.872 1.072 3 5 [-*+**] 1
1811 4 3 TRP HH2 4 7 SER QB . . 1.800 7.945 7.277 8.224 6.424 2 5 [*+**-] 1
1812 4 3 TRP HH2 4 8 LYS HA . . 1.800 5.486 5.335 5.648 3.848 4 5 [*-*+*] 1
1813 4 3 TRP HZ2 4 4 ASN HA . . 1.800 8.446 8.327 8.602 6.802 4 5 [**-+*] 1
1814 4 3 TRP HZ2 4 4 ASN QB . . 1.800 7.678 7.502 8.007 6.207 5 5 [*-**+] 1
1815 4 3 TRP HZ2 4 4 ASN QD . . 1.800 5.556 5.184 5.959 4.159 5 5 [*-**+] 1
1816 4 3 TRP HZ2 4 5 LYS HA . . 1.800 6.252 6.002 6.456 4.656 2 5 [*+**-] 1
1817 4 3 TRP HZ2 4 5 LYS QB . . 1.800 7.768 7.533 7.930 6.130 4 5 [***+-] 1
1818 4 3 TRP HZ2 4 5 LYS QD . . 1.800 8.362 8.246 8.492 6.692 4 5 [***+-] 1
1819 4 3 TRP HZ2 4 5 LYS QE . . 1.800 8.471 8.343 8.618 6.818 2 5 [*+**-] 1
1820 4 3 TRP HZ2 4 5 LYS QG . . 1.800 7.712 7.567 7.911 6.111 2 5 [*+**-] 1
1821 4 3 TRP HZ2 4 6 PRO HA . . 1.800 4.955 4.338 5.411 3.611 4 5 [***+-] 1
1822 4 3 TRP HZ2 4 6 PRO QB . . 1.800 4.820 4.613 5.135 3.335 4 5 [**-+*] 1
1823 4 3 TRP HZ2 4 6 PRO QD . . 1.800 3.366 3.103 3.580 1.780 4 5 [***+-] 1
1824 4 3 TRP HZ2 4 7 SER QB . . 1.800 9.168 8.776 9.444 7.644 4 5 [***+-] 1
1825 4 3 TRP HZ2 4 8 LYS HA . . 1.800 7.587 7.327 7.756 5.956 4 5 [*-*+*] 1
1826 4 3 TRP HZ2 4 8 LYS QE . . 1.800 4.732 4.431 5.399 3.599 5 5 [-***+] 1
1827 4 3 TRP HZ3 4 4 ASN HA . . 1.800 6.388 6.134 6.569 4.769 4 5 [***+-] 1
1828 4 3 TRP HZ3 4 4 ASN QB . . 1.800 4.934 4.832 5.035 3.235 5 5 [**-*+] 1
1829 4 3 TRP HZ3 4 4 ASN QD . . 1.800 2.234 2.119 2.388 0.588 4 1 "[ +.]" 1
1830 4 3 TRP HZ3 4 5 LYS HA . . 1.800 6.608 5.776 7.175 5.375 2 5 [*+**-] 1
1831 4 3 TRP HZ3 4 5 LYS QB . . 1.800 7.302 6.483 7.776 5.976 2 5 [*+**-] 1
1832 4 3 TRP HZ3 4 5 LYS QG . . 1.800 7.961 7.359 8.392 6.592 2 5 [*+**-] 1
1833 4 3 TRP HZ3 4 6 PRO HA . . 1.800 3.461 2.476 4.080 2.280 2 5 [*+**-] 1
1834 4 3 TRP HZ3 4 6 PRO QD . . 1.800 3.664 3.439 3.997 2.197 2 5 [*+*-*] 1
1835 4 3 TRP HZ3 4 6 PRO QG . . 1.800 4.186 3.953 4.411 2.611 3 5 [-*+**] 1
1836 4 3 TRP HZ3 4 7 SER QB . . 1.800 6.694 5.647 7.208 5.408 2 5 [*+**-] 1
1837 4 3 TRP HZ3 4 8 LYS HA . . 1.800 3.669 3.372 3.751 1.951 2 5 [*+**-] 1
1838 4 4 ASN HA 4 4 ASN QD . . 1.800 3.657 3.628 3.723 1.923 5 5 [**-*+] 1
1839 4 4 ASN HA 4 5 LYS HA . . 1.800 4.901 4.806 4.983 3.183 4 5 [***+-] 1
1840 4 4 ASN HA 4 5 LYS QB . . 1.800 4.053 3.932 4.163 2.363 4 5 [***+-] 1
1841 4 4 ASN HA 4 5 LYS QD . . 1.800 2.605 2.459 2.841 1.041 4 5 [**-+*] 1
1842 4 4 ASN HA 4 5 LYS QE . . 1.800 4.407 4.209 4.628 2.828 4 5 [**-+*] 1
1843 4 4 ASN HA 4 5 LYS QG . . 1.800 4.622 4.505 4.782 2.982 4 5 [**-+*] 1
1844 4 4 ASN HA 4 6 PRO QD . . 1.800 5.142 4.937 5.577 3.777 5 5 [*-**+] 1
1845 4 4 ASN HA 4 6 PRO QG . . 1.800 7.044 6.835 7.421 5.621 5 5 [*-**+] 1
1846 4 4 ASN QB 4 5 LYS HA . . 1.800 5.680 5.664 5.697 3.897 3 5 [**+*-] 1
1847 4 4 ASN QB 4 5 LYS QG . . 1.800 5.748 5.671 5.853 4.053 4 5 [**-+*] 1
1848 4 4 ASN QB 4 6 PRO QD . . 1.800 5.073 4.822 5.713 3.913 5 5 [*-**+] 1
1849 4 4 ASN QB 4 7 SER QB . . 1.800 3.694 3.340 3.981 2.181 3 5 [**+*-] 1
1850 4 4 ASN QD 4 5 LYS HA . . 1.800 4.738 4.589 4.975 3.175 5 5 [***-+] 1
1851 4 4 ASN QD 4 5 LYS QB . . 1.800 4.588 4.543 4.669 2.869 5 5 [***-+] 1
1852 4 4 ASN QD 4 5 LYS QE . . 1.800 6.439 6.358 6.594 4.794 5 5 [**-*+] 1
1853 4 4 ASN QD 4 5 LYS QG . . 1.800 5.746 5.673 5.941 4.141 5 5 [***-+] 1
1854 4 4 ASN QD 4 6 PRO HA . . 1.800 2.724 2.401 3.415 1.615 5 5 [***-+] 1
1855 4 4 ASN QD 4 6 PRO QB . . 1.800 4.383 4.108 4.900 3.100 5 5 [***-+] 1
1856 4 4 ASN QD 4 6 PRO QD . . 1.800 3.354 2.987 4.272 2.472 5 5 [*-**+] 1
1857 4 4 ASN QD 4 7 SER HA . . 1.800 4.361 4.128 4.583 2.783 2 5 [*+**-] 1
1858 4 4 ASN QD 4 7 SER QB . . 1.800 3.463 3.033 3.785 1.985 2 5 [*+**-] 1
1859 4 4 ASN QD 4 8 LYS HA . . 1.800 2.173 2.091 2.218 0.418 4 0 "[ .]" 1
1860 4 5 LYS HA 4 5 LYS QD . . 1.800 3.499 3.427 3.531 1.731 1 5 [+***-] 1
1861 4 5 LYS HA 4 5 LYS QG . . 1.800 2.290 2.259 2.318 0.518 1 1 "[+ .]" 1
1862 4 5 LYS HA 4 6 PRO HA . . 1.800 4.709 4.611 4.753 2.953 2 5 [*+**-] 1
1863 4 5 LYS HA 4 6 PRO QB . . 1.800 4.495 4.436 4.555 2.755 5 5 [-***+] 1
1864 4 5 LYS HA 4 6 PRO QD . . 1.800 2.094 2.051 2.149 0.349 2 0 "[ .]" 1
1865 4 5 LYS HA 4 6 PRO QG . . 1.800 3.958 3.822 4.049 2.249 2 5 [*+*-*] 1
1866 4 5 LYS QB 4 5 LYS QE . . 1.800 3.690 3.682 3.695 1.895 5 5 [***-+] 1
1867 4 5 LYS QB 4 5 LYS QG . . 1.800 2.027 2.021 2.028 0.228 1 0 "[ .]" 1
1868 4 5 LYS QB 4 6 PRO HA . . 1.800 5.290 5.247 5.334 3.534 5 5 [*-**+] 1
1869 4 5 LYS QB 4 6 PRO QB . . 1.800 4.855 4.742 4.919 3.119 3 5 [**+*-] 1
1870 4 5 LYS QB 4 6 PRO QD . . 1.800 3.795 3.598 3.864 2.064 2 5 [*+**-] 1
1871 4 5 LYS QB 4 7 SER HA . . 1.800 5.830 5.736 5.888 4.088 4 5 [**-+*] 1
1872 4 5 LYS QB 4 7 SER QB . . 1.800 4.152 3.935 4.306 2.506 4 5 [**-+*] 1
1873 4 5 LYS QD 4 5 LYS QE . . 1.800 2.119 2.115 2.122 0.322 4 0 "[ .]" 1
1874 4 5 LYS QD 4 5 LYS QG . . 1.800 2.112 2.108 2.117 0.317 1 0 "[ .]" 1
1875 4 5 LYS QE 4 5 LYS QG . . 1.800 2.066 2.055 2.074 0.274 1 0 "[ .]" 1
1876 4 5 LYS QE 4 6 PRO HA . . 1.800 7.790 7.740 7.856 6.056 1 5 [+*-**] 1
1877 4 5 LYS QE 4 6 PRO QD . . 1.800 5.217 5.175 5.309 3.509 1 5 [+***-] 1
1878 4 5 LYS QG 4 6 PRO HA . . 1.800 6.471 6.457 6.482 4.682 3 5 [**+*-] 1
1879 4 5 LYS QG 4 6 PRO QD . . 1.800 3.990 3.878 4.054 2.254 2 5 [*+**-] 1
1880 4 5 LYS QG 4 6 PRO QG . . 1.800 5.615 5.475 5.741 3.941 2 5 [*+*-*] 1
1881 4 5 LYS QG 4 7 SER HA . . 1.800 7.860 7.780 7.908 6.108 1 5 [+*-**] 1
1882 4 5 LYS QG 4 7 SER QB . . 1.800 6.079 5.893 6.204 4.404 4 5 [**-+*] 1
1883 4 6 PRO HA 4 6 PRO QD . . 1.800 2.508 2.398 2.609 0.809 5 5 [***-+] 1
1884 4 6 PRO HA 4 8 LYS QE . . 1.800 4.304 4.044 5.069 3.269 5 5 [**-*+] 1
1885 4 6 PRO QB 4 7 SER HA . . 1.800 4.711 4.596 4.772 2.972 4 5 [***+-] 1
1886 4 6 PRO QB 4 7 SER QB . . 1.800 5.528 5.425 5.579 3.779 4 5 [***+-] 1
1887 4 6 PRO QB 4 8 LYS QE . . 1.800 4.689 4.358 5.529 3.729 5 5 [-***+] 1
1888 4 6 PRO QD 4 6 PRO QG . . 1.800 1.966 1.963 1.970 0.170 3 0 "[ .]" 1
1889 4 6 PRO QD 4 7 SER HA . . 1.800 6.129 6.089 6.185 4.385 5 5 [***-+] 1
1890 4 7 SER HA 4 8 LYS QD . . 1.800 5.670 5.524 5.792 3.992 4 5 [*-*+*] 1
1891 4 7 SER HA 4 8 LYS QE . . 1.800 6.803 6.712 6.977 5.177 5 5 [**-*+] 1
1892 4 7 SER HA 4 8 LYS QG . . 1.800 4.035 3.945 4.236 2.436 5 5 [**-*+] 1
1893 4 7 SER HA 4 9 PRO QD . . 1.800 5.173 5.090 5.288 3.488 4 5 [*-*+*] 1
1894 4 7 SER QB 4 8 LYS QG . . 1.800 4.979 4.919 5.162 3.362 5 5 [-***+] 1
1895 4 8 LYS HA 4 8 LYS QE . . 1.800 3.884 3.720 3.996 2.196 2 5 [*+*-*] 1
1896 4 8 LYS HA 4 8 LYS QG . . 1.800 2.441 2.404 2.458 0.658 1 5 [+**-*] 1
1897 4 8 LYS HA 4 9 PRO QB . . 1.800 4.670 4.577 4.769 2.969 5 5 [-***+] 1
1898 4 8 LYS HA 4 9 PRO QD . . 1.800 2.046 1.979 2.083 0.283 2 0 "[ .]" 1
1899 4 8 LYS HA 4 9 PRO QG . . 1.800 3.967 3.874 4.025 2.225 1 5 [+**-*] 1
1900 4 8 LYS QB 4 8 LYS QE . . 1.800 2.154 2.116 2.231 0.431 5 0 "[ .]" 1
1901 4 8 LYS QB 4 8 LYS QG . . 1.800 2.123 2.121 2.125 0.325 2 0 "[ .]" 1
1902 4 8 LYS QB 4 9 PRO QD . . 1.800 3.412 3.332 3.507 1.707 5 5 [**-*+] 1
1903 4 8 LYS QB 4 11 THR HB . . 1.800 4.714 4.081 5.240 3.440 3 5 [**+*-] 1
1904 4 8 LYS QD 4 8 LYS QG . . 1.800 2.014 1.999 2.031 0.231 5 0 "[ .]" 1
1905 4 8 LYS QE 4 8 LYS QG . . 1.800 2.291 2.257 2.331 0.531 2 1 "[ + .]" 1
1906 4 8 LYS QE 4 9 PRO QD . . 1.800 4.646 4.445 4.864 3.064 5 5 [***-+] 1
1907 4 8 LYS QG 4 9 PRO QD . . 1.800 3.870 3.820 3.913 2.113 5 5 [*-**+] 1
1908 4 8 LYS QG 4 9 PRO QG . . 1.800 5.629 5.575 5.688 3.888 1 5 [+**-*] 1
1909 4 8 LYS QG 4 11 THR HB . . 1.800 6.511 5.793 7.146 5.346 3 5 [**+*-] 1
1910 4 9 PRO HA 4 9 PRO QD . . 1.800 3.422 3.335 3.494 1.694 1 5 [+***-] 1
1911 4 9 PRO QB 4 10 LYS QE . . 1.800 5.092 2.065 6.459 4.659 3 4 [-*+*.] 1
1912 4 9 PRO QB 4 11 THR HB . . 1.800 8.348 8.127 8.563 6.763 1 5 [+-***] 1
1913 4 9 PRO QB 4 11 THR MG . . 1.800 5.940 5.495 6.501 4.701 4 5 [*-*+*] 1
1914 4 9 PRO QD 4 9 PRO QG . . 1.800 1.987 1.976 2.001 0.201 5 0 "[ .]" 1
1915 4 9 PRO QD 4 10 LYS HA . . 1.800 5.202 4.999 5.512 3.712 5 5 [-***+] 1
1916 4 9 PRO QD 4 11 THR HA . . 1.800 5.461 5.040 5.939 4.139 3 5 [**+-*] 1
1917 4 9 PRO QG 4 11 THR MG . . 1.800 6.460 5.969 7.198 5.398 4 5 [*-*+*] 1
1918 4 10 LYS HA 4 10 LYS QE . . 1.800 4.838 3.941 5.577 3.777 3 5 [**+*-] 1
1919 4 10 LYS HA 4 10 LYS QG . . 1.800 3.537 3.524 3.564 1.764 4 5 [***+-] 1
1920 4 10 LYS QB 4 10 LYS QE . . 1.800 3.113 2.093 3.880 2.080 1 3 "[+-* .]" 1
1921 4 10 LYS QB 4 10 LYS QG . . 1.800 1.984 1.964 2.009 0.209 5 0 "[ .]" 1
1922 4 10 LYS QB 4 11 THR MG . . 1.800 4.857 4.644 5.071 3.271 4 5 [*-*+*] 1
1923 4 10 LYS QB 4 12 ASN HA . . 1.800 5.675 4.962 6.525 4.725 3 5 [**+*-] 1
1924 4 10 LYS QB 4 12 ASN QD . . 1.800 5.576 3.676 6.551 4.751 5 5 [**-*+] 1
1925 4 10 LYS QD 4 10 LYS QG . . 1.800 2.067 1.990 2.121 0.321 1 0 "[ .]" 1
1926 4 10 LYS QD 4 11 THR HA . . 1.800 4.633 4.326 5.158 3.358 5 5 [***-+] 1
1927 4 10 LYS QD 4 12 ASN QD . . 1.800 3.476 2.049 4.241 2.441 5 4 "[*- *+]" 1
1928 4 10 LYS QE 4 10 LYS QG . . 1.800 2.375 2.192 2.476 0.676 3 4 "[ *+*-]" 1
1929 4 10 LYS QE 4 11 THR HB . . 1.800 7.292 5.682 8.149 6.349 5 5 [***-+] 1
1930 4 10 LYS QG 4 11 THR HB . . 1.800 7.056 6.190 7.476 5.676 3 5 [**+*-] 1
1931 4 11 THR HA 4 11 THR MG . . 1.800 2.300 2.253 2.385 0.585 2 2 "[-+ .]" 1
1932 4 11 THR HA 4 12 ASN QD . . 1.800 5.552 4.353 6.232 4.432 1 5 [+*-**] 1
1933 4 11 THR HB 4 12 ASN QD . . 1.800 6.753 5.005 7.590 5.790 4 5 [**-+*] 1
1934 4 11 THR MG 4 12 ASN QD . . 1.800 6.496 5.061 7.107 5.307 1 5 [+*-**] 1
1935 4 12 ASN HA 4 12 ASN QD . . 1.800 4.099 3.768 4.296 2.496 2 5 [*+-**] 1
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