Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600966 | 2n5k RC | 25719 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n5k
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 333
_Distance_constraint_stats_list.Viol_count 236
_Distance_constraint_stats_list.Viol_total 78.443
_Distance_constraint_stats_list.Viol_max 0.181
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0166
_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 2 GLU 0.007 0.007 10 0 "[ . 1 . 2]"
1 3 HIS 0.001 0.001 10 0 "[ . 1 . 2]"
1 4 ARG 0.006 0.004 16 0 "[ . 1 . 2]"
1 5 LYS 0.003 0.003 16 0 "[ . 1 . 2]"
1 6 GLN 0.012 0.007 10 0 "[ . 1 . 2]"
1 7 PRO 0.006 0.003 3 0 "[ . 1 . 2]"
1 8 CYS 0.932 0.052 20 0 "[ . 1 . 2]"
1 9 PRO 0.186 0.025 11 0 "[ . 1 . 2]"
1 10 TYR 0.670 0.052 20 0 "[ . 1 . 2]"
1 11 GLY 0.299 0.027 10 0 "[ . 1 . 2]"
1 12 LYS 0.034 0.009 10 0 "[ . 1 . 2]"
1 13 LYS 0.034 0.009 10 0 "[ . 1 . 2]"
1 14 CYS 0.035 0.009 19 0 "[ . 1 . 2]"
1 15 THR 0.017 0.009 19 0 "[ . 1 . 2]"
1 16 TYR 0.441 0.034 15 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.002 0.002 6 0 "[ . 1 . 2]"
1 19 LYS 0.647 0.085 17 0 "[ . 1 . 2]"
1 20 CYS 0.521 0.085 17 0 "[ . 1 . 2]"
1 21 ARG 0.244 0.146 20 0 "[ . 1 . 2]"
1 22 PHE 0.320 0.085 20 0 "[ . 1 . 2]"
1 23 PHE 0.308 0.023 11 0 "[ . 1 . 2]"
1 24 HIS 1.247 0.059 20 0 "[ . 1 . 2]"
1 25 PRO 0.454 0.181 16 0 "[ . 1 . 2]"
1 26 GLU 0.357 0.181 16 0 "[ . 1 . 2]"
1 27 ARG 0.820 0.059 20 0 "[ . 1 . 2]"
1 28 PRO 0.015 0.015 17 0 "[ . 1 . 2]"
1 29 SER 0.015 0.015 17 0 "[ . 1 . 2]"
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 2 GLU HA 1 4 ARG H . . 4.230 3.491 3.209 3.910 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 5 LYS HB2 . . 3.680 2.605 1.989 3.107 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU HA 1 5 LYS HB3 . . 4.740 4.170 3.669 4.715 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU HA 1 5 LYS QD . . 4.600 4.167 2.001 4.596 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU HA 1 5 LYS HG2 . . 5.500 3.324 2.465 4.977 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLU HA 1 5 LYS QG . . 4.700 2.575 1.996 3.679 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU HA 1 5 LYS HG3 . . 5.500 2.858 2.005 4.136 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLU HA 1 6 GLN H . . 4.660 3.766 3.369 4.220 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLU HA 1 6 GLN HB2 . . 4.980 4.686 4.512 4.967 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLU QB 1 5 LYS HB2 . . 2.390 2.172 1.989 2.370 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLU QB 1 6 GLN H . . 4.100 2.112 1.948 2.770 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLU QB 1 6 GLN HB2 . . 3.430 2.203 1.958 2.674 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLU HB2 1 6 GLN H . . 4.820 2.530 1.957 3.656 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLU HB2 1 6 GLN QG . . 3.870 3.084 2.588 3.877 0.007 10 0 "[ . 1 . 2]" 1
15 1 2 GLU HB3 1 6 GLN H . . 4.820 3.266 1.970 4.534 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLU HB3 1 6 GLN QG . . 3.870 3.435 2.755 3.841 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLU QG 1 6 GLN H . . 4.550 3.663 3.323 4.152 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLU QG 1 6 GLN HB2 . . 2.970 2.632 2.051 2.968 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU QG 1 6 GLN QG . . 3.280 2.605 1.996 3.118 . 0 0 "[ . 1 . 2]" 1
20 1 3 HIS HA 1 6 GLN H . . 5.500 5.120 4.551 5.501 0.001 10 0 "[ . 1 . 2]" 1
21 1 4 ARG H 1 4 ARG QG . . 4.640 2.234 1.997 2.615 . 0 0 "[ . 1 . 2]" 1
22 1 4 ARG H 1 5 LYS HA . . 4.750 4.555 4.424 4.749 . 0 0 "[ . 1 . 2]" 1
23 1 4 ARG H 1 6 GLN H . . 4.370 4.235 3.904 4.374 0.004 16 0 "[ . 1 . 2]" 1
24 1 4 ARG HA 1 4 ARG QG . . 3.690 3.355 3.324 3.438 . 0 0 "[ . 1 . 2]" 1
25 1 4 ARG HA 1 6 GLN H . . 5.310 4.521 4.082 5.039 . 0 0 "[ . 1 . 2]" 1
26 1 4 ARG QB 1 4 ARG QD . . 3.450 2.217 2.007 2.458 . 0 0 "[ . 1 . 2]" 1
27 1 4 ARG QD 1 5 LYS HA . . 4.920 4.577 3.542 4.923 0.003 16 0 "[ . 1 . 2]" 1
28 1 4 ARG QG 1 5 LYS QG . . 3.290 2.793 2.227 3.129 . 0 0 "[ . 1 . 2]" 1
29 1 5 LYS HA 1 5 LYS QD . . 3.710 2.771 2.067 3.709 . 0 0 "[ . 1 . 2]" 1
30 1 5 LYS HA 1 5 LYS HG2 . . 3.980 2.892 2.407 3.323 . 0 0 "[ . 1 . 2]" 1
31 1 5 LYS HA 1 5 LYS QG . . 3.250 2.743 2.209 3.129 . 0 0 "[ . 1 . 2]" 1
32 1 5 LYS HA 1 5 LYS HG3 . . 3.980 3.634 2.248 3.857 . 0 0 "[ . 1 . 2]" 1
33 1 5 LYS HB2 1 5 LYS QD . . 3.910 3.110 2.133 3.472 . 0 0 "[ . 1 . 2]" 1
34 1 5 LYS HB2 1 6 GLN HB2 . . 4.210 3.861 3.633 4.056 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS HB3 1 5 LYS QD . . 3.110 2.345 2.068 3.035 . 0 0 "[ . 1 . 2]" 1
36 1 5 LYS QD 1 5 LYS QG . . 2.310 2.074 2.021 2.098 . 0 0 "[ . 1 . 2]" 1
37 1 6 GLN HA 1 6 GLN QG . . 3.960 2.500 2.057 2.741 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLN HA 1 7 PRO HD2 . . 2.990 2.498 2.490 2.502 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLN HA 1 7 PRO QD . . 2.600 2.150 2.145 2.153 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLN HA 1 7 PRO HD3 . . 2.990 2.346 2.342 2.348 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLN HA 1 7 PRO QG . . 4.920 4.064 4.059 4.067 . 0 0 "[ . 1 . 2]" 1
42 1 6 GLN HB2 1 7 PRO HD2 . . 4.710 3.604 3.594 3.658 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLN HB2 1 7 PRO QD . . 4.100 3.493 3.485 3.539 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLN HB2 1 7 PRO HD3 . . 4.710 4.688 4.684 4.708 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLN HB3 1 7 PRO HD2 . . 4.360 2.025 1.992 2.275 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLN HB3 1 7 PRO QD . . 3.720 2.011 1.980 2.254 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLN HB3 1 7 PRO HD3 . . 4.360 3.463 3.437 3.663 . 0 0 "[ . 1 . 2]" 1
48 1 6 GLN QE 1 7 PRO QD . . 4.990 2.787 2.353 4.250 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLN QG 1 7 PRO QD . . 4.370 2.986 1.933 3.228 . 0 0 "[ . 1 . 2]" 1
50 1 7 PRO HA 1 8 CYS H . . 3.000 2.600 2.511 2.638 . 0 0 "[ . 1 . 2]" 1
51 1 7 PRO HA 1 8 CYS HA . . 4.700 4.318 4.308 4.323 . 0 0 "[ . 1 . 2]" 1
52 1 7 PRO HA 1 22 PHE HB3 . . 4.640 4.426 4.269 4.505 . 0 0 "[ . 1 . 2]" 1
53 1 7 PRO HA 1 23 PHE H . . 3.870 3.725 3.497 3.873 0.003 3 0 "[ . 1 . 2]" 1
54 1 7 PRO HA 1 23 PHE HB2 . . 4.670 4.425 4.324 4.533 . 0 0 "[ . 1 . 2]" 1
55 1 7 PRO HA 1 23 PHE HB3 . . 3.430 2.792 2.617 2.992 . 0 0 "[ . 1 . 2]" 1
56 1 7 PRO HA 1 23 PHE QD . . 4.800 3.426 2.585 4.356 . 0 0 "[ . 1 . 2]" 1
57 1 7 PRO QB 1 23 PHE HB3 . . 5.340 4.082 3.983 4.216 . 0 0 "[ . 1 . 2]" 1
58 1 7 PRO QB 1 24 HIS HA . . 3.980 3.832 3.592 3.982 0.002 20 0 "[ . 1 . 2]" 1
59 1 8 CYS H 1 9 PRO HD3 . . 5.500 5.029 5.017 5.040 . 0 0 "[ . 1 . 2]" 1
60 1 8 CYS H 1 22 PHE HB2 . . 5.200 4.846 4.707 4.900 . 0 0 "[ . 1 . 2]" 1
61 1 8 CYS H 1 22 PHE HB3 . . 5.170 3.508 3.455 3.597 . 0 0 "[ . 1 . 2]" 1
62 1 8 CYS H 1 23 PHE H . . 4.180 3.957 3.797 4.116 . 0 0 "[ . 1 . 2]" 1
63 1 8 CYS H 1 23 PHE HB2 . . 5.500 5.511 5.491 5.523 0.023 11 0 "[ . 1 . 2]" 1
64 1 8 CYS H 1 23 PHE HB3 . . 5.500 4.130 4.018 4.302 . 0 0 "[ . 1 . 2]" 1
65 1 8 CYS H 1 25 PRO HD2 . . 5.500 4.834 4.606 5.062 . 0 0 "[ . 1 . 2]" 1
66 1 8 CYS HA 1 9 PRO QB . . 5.230 4.588 4.580 4.596 . 0 0 "[ . 1 . 2]" 1
67 1 8 CYS HA 1 9 PRO HD2 . . 2.930 2.461 2.430 2.488 . 0 0 "[ . 1 . 2]" 1
68 1 8 CYS HA 1 9 PRO HD3 . . 3.140 2.328 2.315 2.341 . 0 0 "[ . 1 . 2]" 1
69 1 8 CYS HA 1 9 PRO HG2 . . 5.500 4.556 4.530 4.578 . 0 0 "[ . 1 . 2]" 1
70 1 8 CYS HA 1 9 PRO HG3 . . 5.500 4.515 4.495 4.532 . 0 0 "[ . 1 . 2]" 1
71 1 8 CYS HA 1 10 TYR H . . 4.220 4.253 4.243 4.272 0.052 20 0 "[ . 1 . 2]" 1
72 1 8 CYS HA 1 11 GLY H . . 5.050 4.786 4.639 4.825 . 0 0 "[ . 1 . 2]" 1
73 1 8 CYS HA 1 22 PHE HA . . 4.760 4.643 4.581 4.688 . 0 0 "[ . 1 . 2]" 1
74 1 8 CYS HA 1 22 PHE HB2 . . 3.000 2.730 2.647 2.785 . 0 0 "[ . 1 . 2]" 1
75 1 8 CYS HA 1 22 PHE HB3 . . 3.550 1.999 1.986 2.034 . 0 0 "[ . 1 . 2]" 1
76 1 8 CYS HA 1 22 PHE QD . . 4.530 2.800 2.356 3.369 . 0 0 "[ . 1 . 2]" 1
77 1 8 CYS HA 1 23 PHE H . . 4.290 3.864 3.699 3.961 . 0 0 "[ . 1 . 2]" 1
78 1 8 CYS HB2 1 9 PRO HD2 . . 5.500 3.718 3.680 3.764 . 0 0 "[ . 1 . 2]" 1
79 1 8 CYS HB2 1 9 PRO HD3 . . 5.500 4.739 4.716 4.765 . 0 0 "[ . 1 . 2]" 1
80 1 8 CYS HB2 1 10 TYR H . . 5.000 4.277 4.188 4.372 . 0 0 "[ . 1 . 2]" 1
81 1 8 CYS HB2 1 11 GLY H . . 4.480 3.495 3.394 3.628 . 0 0 "[ . 1 . 2]" 1
82 1 8 CYS HB2 1 11 GLY HA3 . . 5.500 3.696 3.591 3.731 . 0 0 "[ . 1 . 2]" 1
83 1 8 CYS HB2 1 22 PHE HB2 . . 4.750 4.456 4.360 4.491 . 0 0 "[ . 1 . 2]" 1
84 1 8 CYS HB2 1 22 PHE HB3 . . 4.050 3.823 3.746 3.897 . 0 0 "[ . 1 . 2]" 1
85 1 8 CYS HB2 1 23 PHE H . . 5.160 4.935 4.810 5.085 . 0 0 "[ . 1 . 2]" 1
86 1 8 CYS HB2 1 24 HIS HA . . 4.390 2.559 2.356 2.654 . 0 0 "[ . 1 . 2]" 1
87 1 8 CYS HB2 1 24 HIS HD2 . . 4.560 4.223 3.916 4.340 . 0 0 "[ . 1 . 2]" 1
88 1 8 CYS HB2 1 24 HIS HE1 . . 4.820 4.458 4.157 4.819 . 0 0 "[ . 1 . 2]" 1
89 1 8 CYS HB2 1 25 PRO HD2 . . 5.000 3.931 3.749 4.041 . 0 0 "[ . 1 . 2]" 1
90 1 8 CYS HB2 1 25 PRO HD3 . . 4.500 3.298 3.039 3.426 . 0 0 "[ . 1 . 2]" 1
91 1 8 CYS HB3 1 10 TYR H . . 4.240 2.542 2.468 2.625 . 0 0 "[ . 1 . 2]" 1
92 1 8 CYS HB3 1 11 GLY H . . 3.420 2.081 1.950 2.143 . 0 0 "[ . 1 . 2]" 1
93 1 8 CYS HB3 1 11 GLY HA2 . . 5.240 2.752 2.650 2.821 . 0 0 "[ . 1 . 2]" 1
94 1 8 CYS HB3 1 11 GLY HA3 . . 5.200 3.511 3.370 3.647 . 0 0 "[ . 1 . 2]" 1
95 1 8 CYS HB3 1 22 PHE HB2 . . 5.500 4.369 4.313 4.415 . 0 0 "[ . 1 . 2]" 1
96 1 8 CYS HB3 1 22 PHE HB3 . . 5.350 4.276 4.244 4.378 . 0 0 "[ . 1 . 2]" 1
97 1 8 CYS HB3 1 24 HIS HD2 . . 5.120 5.044 4.766 5.128 0.008 20 0 "[ . 1 . 2]" 1
98 1 8 CYS HB3 1 24 HIS HE1 . . 4.650 4.206 3.917 4.653 0.003 16 0 "[ . 1 . 2]" 1
99 1 9 PRO HA 1 11 GLY H . . 5.320 5.285 5.154 5.316 . 0 0 "[ . 1 . 2]" 1
100 1 9 PRO QB 1 10 TYR H . . 3.740 3.191 3.161 3.221 . 0 0 "[ . 1 . 2]" 1
101 1 9 PRO HD2 1 10 TYR H . . 3.350 2.669 2.667 2.671 . 0 0 "[ . 1 . 2]" 1
102 1 9 PRO HD2 1 10 TYR QD . . 5.500 4.766 4.344 5.160 . 0 0 "[ . 1 . 2]" 1
103 1 9 PRO HD2 1 11 GLY H . . 4.960 3.575 3.487 3.610 . 0 0 "[ . 1 . 2]" 1
104 1 9 PRO HD2 1 22 PHE HB2 . . 3.040 3.020 2.953 3.053 0.013 19 0 "[ . 1 . 2]" 1
105 1 9 PRO HD2 1 22 PHE HB3 . . 3.760 3.680 3.635 3.744 . 0 0 "[ . 1 . 2]" 1
106 1 9 PRO HD2 1 22 PHE QD . . 4.250 4.063 3.479 4.215 . 0 0 "[ . 1 . 2]" 1
107 1 9 PRO HD2 1 22 PHE QE . . 5.500 5.398 4.949 5.502 0.002 8 0 "[ . 1 . 2]" 1
108 1 9 PRO HD3 1 10 TYR H . . 4.110 3.836 3.835 3.838 . 0 0 "[ . 1 . 2]" 1
109 1 9 PRO HD3 1 22 PHE HB2 . . 3.160 2.963 2.861 3.046 . 0 0 "[ . 1 . 2]" 1
110 1 9 PRO HD3 1 22 PHE HB3 . . 3.400 3.404 3.375 3.425 0.025 11 0 "[ . 1 . 2]" 1
111 1 9 PRO HD3 1 22 PHE QD . . 5.450 3.182 2.720 3.337 . 0 0 "[ . 1 . 2]" 1
112 1 9 PRO HD3 1 22 PHE QE . . 5.500 4.043 3.630 4.166 . 0 0 "[ . 1 . 2]" 1
113 1 9 PRO HG2 1 10 TYR H . . 3.690 2.286 2.243 2.332 . 0 0 "[ . 1 . 2]" 1
114 1 9 PRO HG2 1 10 TYR QD . . 5.460 2.788 2.243 3.298 . 0 0 "[ . 1 . 2]" 1
115 1 9 PRO HG2 1 14 CYS HA . . 5.500 5.039 4.911 5.212 . 0 0 "[ . 1 . 2]" 1
116 1 9 PRO HG2 1 22 PHE HB2 . . 5.150 5.032 4.962 5.106 . 0 0 "[ . 1 . 2]" 1
117 1 9 PRO HG3 1 10 TYR H . . 4.450 3.848 3.816 3.882 . 0 0 "[ . 1 . 2]" 1
118 1 9 PRO HG3 1 22 PHE HB2 . . 4.780 4.537 4.455 4.649 . 0 0 "[ . 1 . 2]" 1
119 1 10 TYR H 1 10 TYR HB2 . . 2.990 2.501 2.465 2.536 . 0 0 "[ . 1 . 2]" 1
120 1 10 TYR H 1 10 TYR HB3 . . 3.720 3.690 3.653 3.719 . 0 0 "[ . 1 . 2]" 1
121 1 10 TYR H 1 10 TYR QD . . 3.800 3.432 3.058 3.716 . 0 0 "[ . 1 . 2]" 1
122 1 10 TYR H 1 11 GLY H . . 2.840 2.025 1.956 2.034 . 0 0 "[ . 1 . 2]" 1
123 1 10 TYR H 1 11 GLY HA2 . . 4.910 4.193 4.178 4.209 . 0 0 "[ . 1 . 2]" 1
124 1 10 TYR H 1 11 GLY HA3 . . 4.630 4.427 4.405 4.436 . 0 0 "[ . 1 . 2]" 1
125 1 10 TYR H 1 14 CYS H . . 4.800 4.624 4.470 4.781 . 0 0 "[ . 1 . 2]" 1
126 1 10 TYR H 1 14 CYS HB3 . . 5.260 5.097 4.794 5.247 . 0 0 "[ . 1 . 2]" 1
127 1 10 TYR HA 1 10 TYR QD . . 3.550 2.472 2.125 2.847 . 0 0 "[ . 1 . 2]" 1
128 1 10 TYR HA 1 11 GLY HA3 . . 4.720 4.648 4.636 4.672 . 0 0 "[ . 1 . 2]" 1
129 1 10 TYR HA 1 14 CYS H . . 4.560 4.351 4.282 4.472 . 0 0 "[ . 1 . 2]" 1
130 1 10 TYR HB2 1 11 GLY H . . 3.780 2.626 2.578 2.788 . 0 0 "[ . 1 . 2]" 1
131 1 10 TYR HB2 1 13 LYS H . . 4.650 4.368 4.226 4.577 . 0 0 "[ . 1 . 2]" 1
132 1 10 TYR HB2 1 13 LYS HB2 . . 5.390 3.800 3.750 4.014 . 0 0 "[ . 1 . 2]" 1
133 1 10 TYR HB2 1 13 LYS HB3 . . 5.060 4.717 4.500 4.991 . 0 0 "[ . 1 . 2]" 1
134 1 10 TYR HB2 1 14 CYS H . . 4.380 2.898 2.696 3.114 . 0 0 "[ . 1 . 2]" 1
135 1 10 TYR HB2 1 14 CYS HA . . 3.140 2.425 2.270 2.629 . 0 0 "[ . 1 . 2]" 1
136 1 10 TYR HB2 1 14 CYS HB2 . . 2.530 2.355 2.113 2.514 . 0 0 "[ . 1 . 2]" 1
137 1 10 TYR HB2 1 14 CYS HB3 . . 4.250 3.902 3.716 4.076 . 0 0 "[ . 1 . 2]" 1
138 1 10 TYR HB3 1 11 GLY H . . 4.180 3.457 3.378 3.524 . 0 0 "[ . 1 . 2]" 1
139 1 10 TYR HB3 1 13 LYS H . . 4.310 3.043 2.930 3.244 . 0 0 "[ . 1 . 2]" 1
140 1 10 TYR HB3 1 13 LYS HB2 . . 5.070 2.038 1.989 2.250 . 0 0 "[ . 1 . 2]" 1
141 1 10 TYR HB3 1 13 LYS HB3 . . 4.970 3.131 2.920 3.346 . 0 0 "[ . 1 . 2]" 1
142 1 10 TYR HB3 1 14 CYS H . . 4.390 2.347 2.275 2.481 . 0 0 "[ . 1 . 2]" 1
143 1 10 TYR HB3 1 14 CYS HA . . 3.280 2.943 2.692 3.061 . 0 0 "[ . 1 . 2]" 1
144 1 10 TYR HB3 1 14 CYS HB2 . . 3.240 3.223 3.149 3.244 0.004 18 0 "[ . 1 . 2]" 1
145 1 10 TYR HB3 1 14 CYS HB3 . . 4.650 4.567 4.427 4.626 . 0 0 "[ . 1 . 2]" 1
146 1 10 TYR QD 1 14 CYS HA . . 4.170 3.279 2.867 3.771 . 0 0 "[ . 1 . 2]" 1
147 1 11 GLY H 1 11 GLY HA2 . . 2.910 2.301 2.295 2.304 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLY H 1 11 GLY HA3 . . 2.880 2.841 2.804 2.852 . 0 0 "[ . 1 . 2]" 1
149 1 11 GLY H 1 13 LYS H . . 4.620 4.387 4.286 4.483 . 0 0 "[ . 1 . 2]" 1
150 1 11 GLY H 1 14 CYS HB2 . . 3.950 2.044 1.939 2.096 . 0 0 "[ . 1 . 2]" 1
151 1 11 GLY H 1 14 CYS HB3 . . 4.560 3.614 3.322 3.756 . 0 0 "[ . 1 . 2]" 1
152 1 11 GLY H 1 24 HIS HE1 . . 4.500 3.526 3.254 3.980 . 0 0 "[ . 1 . 2]" 1
153 1 11 GLY HA2 1 13 LYS H . . 4.970 4.674 4.468 4.775 . 0 0 "[ . 1 . 2]" 1
154 1 11 GLY HA2 1 14 CYS HB3 . . 4.060 3.766 3.436 3.970 . 0 0 "[ . 1 . 2]" 1
155 1 11 GLY HA2 1 24 HIS HA . . 4.080 3.851 3.779 3.944 . 0 0 "[ . 1 . 2]" 1
156 1 11 GLY HA2 1 24 HIS HE1 . . 5.020 2.530 2.458 2.643 . 0 0 "[ . 1 . 2]" 1
157 1 11 GLY HA2 1 25 PRO HD3 . . 3.760 3.541 3.414 3.673 . 0 0 "[ . 1 . 2]" 1
158 1 11 GLY HA3 1 12 LYS QG . . 5.500 3.804 3.652 4.033 . 0 0 "[ . 1 . 2]" 1
159 1 11 GLY HA3 1 13 LYS H . . 4.240 3.981 3.791 4.077 . 0 0 "[ . 1 . 2]" 1
160 1 11 GLY HA3 1 14 CYS H . . 5.500 4.188 4.074 4.296 . 0 0 "[ . 1 . 2]" 1
161 1 11 GLY HA3 1 14 CYS HB3 . . 5.280 5.044 4.757 5.205 . 0 0 "[ . 1 . 2]" 1
162 1 11 GLY HA3 1 24 HIS HB3 . . 5.500 5.514 5.506 5.527 0.027 10 0 "[ . 1 . 2]" 1
163 1 11 GLY HA3 1 24 HIS HE1 . . 4.150 4.104 4.052 4.156 0.006 19 0 "[ . 1 . 2]" 1
164 1 11 GLY HA3 1 25 PRO HD2 . . 5.500 3.675 3.511 3.753 . 0 0 "[ . 1 . 2]" 1
165 1 11 GLY HA3 1 25 PRO HD3 . . 4.380 3.387 3.153 3.551 . 0 0 "[ . 1 . 2]" 1
166 1 11 GLY HA3 1 25 PRO HG3 . . 5.500 3.561 3.301 3.689 . 0 0 "[ . 1 . 2]" 1
167 1 12 LYS HA 1 12 LYS QD . . 4.410 4.257 3.946 4.397 . 0 0 "[ . 1 . 2]" 1
168 1 12 LYS HA 1 12 LYS QG . . 3.790 3.337 3.325 3.360 . 0 0 "[ . 1 . 2]" 1
169 1 12 LYS HA 1 14 CYS H . . 4.510 4.103 3.969 4.266 . 0 0 "[ . 1 . 2]" 1
170 1 12 LYS HA 1 24 HIS HE1 . . 5.010 4.700 4.432 4.822 . 0 0 "[ . 1 . 2]" 1
171 1 12 LYS HB2 1 12 LYS QD . . 3.030 2.479 2.280 2.987 . 0 0 "[ . 1 . 2]" 1
172 1 12 LYS HB2 1 13 LYS H . . 3.730 3.724 3.683 3.739 0.009 10 0 "[ . 1 . 2]" 1
173 1 12 LYS HB2 1 13 LYS HA . . 4.430 4.405 4.375 4.422 . 0 0 "[ . 1 . 2]" 1
174 1 12 LYS HB2 1 13 LYS HG3 . . 4.630 4.073 3.945 4.210 . 0 0 "[ . 1 . 2]" 1
175 1 12 LYS HB3 1 12 LYS QD . . 2.620 2.390 1.998 2.517 . 0 0 "[ . 1 . 2]" 1
176 1 12 LYS HB3 1 13 LYS H . . 4.370 4.076 4.054 4.149 . 0 0 "[ . 1 . 2]" 1
177 1 12 LYS QE 1 13 LYS H . . 4.900 4.182 3.788 4.801 . 0 0 "[ . 1 . 2]" 1
178 1 12 LYS QE 1 13 LYS HG3 . . 5.500 3.148 2.100 4.486 . 0 0 "[ . 1 . 2]" 1
179 1 12 LYS QG 1 13 LYS H . . 3.530 2.099 1.967 2.228 . 0 0 "[ . 1 . 2]" 1
180 1 12 LYS QG 1 13 LYS HG3 . . 2.400 2.225 2.027 2.402 0.002 19 0 "[ . 1 . 2]" 1
181 1 13 LYS H 1 13 LYS HB2 . . 2.930 2.361 2.273 2.416 . 0 0 "[ . 1 . 2]" 1
182 1 13 LYS H 1 13 LYS HB3 . . 3.690 3.596 3.557 3.616 . 0 0 "[ . 1 . 2]" 1
183 1 13 LYS H 1 13 LYS QD . . 3.970 3.590 3.200 3.909 . 0 0 "[ . 1 . 2]" 1
184 1 13 LYS H 1 13 LYS QE . . 5.500 4.684 2.398 5.363 . 0 0 "[ . 1 . 2]" 1
185 1 13 LYS H 1 13 LYS HG2 . . 5.340 3.976 3.782 4.119 . 0 0 "[ . 1 . 2]" 1
186 1 13 LYS H 1 13 LYS HG3 . . 3.600 2.673 2.517 2.927 . 0 0 "[ . 1 . 2]" 1
187 1 13 LYS H 1 14 CYS H . . 2.960 2.324 2.263 2.359 . 0 0 "[ . 1 . 2]" 1
188 1 13 LYS H 1 14 CYS HB2 . . 5.420 4.251 4.199 4.375 . 0 0 "[ . 1 . 2]" 1
189 1 13 LYS H 1 14 CYS HB3 . . 5.250 5.014 4.790 5.144 . 0 0 "[ . 1 . 2]" 1
190 1 13 LYS HA 1 13 LYS QD . . 4.240 4.092 4.031 4.185 . 0 0 "[ . 1 . 2]" 1
191 1 13 LYS HA 1 13 LYS HG2 . . 4.170 2.711 2.523 2.926 . 0 0 "[ . 1 . 2]" 1
192 1 13 LYS HA 1 13 LYS HG3 . . 3.780 2.752 2.564 2.947 . 0 0 "[ . 1 . 2]" 1
193 1 13 LYS HB2 1 13 LYS QD . . 2.690 2.251 2.147 2.355 . 0 0 "[ . 1 . 2]" 1
194 1 13 LYS QD 1 13 LYS HG2 . . 2.640 2.393 2.160 2.489 . 0 0 "[ . 1 . 2]" 1
195 1 14 CYS H 1 14 CYS HB2 . . 3.800 2.225 2.161 2.342 . 0 0 "[ . 1 . 2]" 1
196 1 14 CYS H 1 24 HIS HE1 . . 4.070 3.853 3.777 3.942 . 0 0 "[ . 1 . 2]" 1
197 1 14 CYS HA 1 15 THR HA . . 4.390 4.366 4.340 4.399 0.009 19 0 "[ . 1 . 2]" 1
198 1 14 CYS HA 1 15 THR MG . . 5.180 3.794 3.451 4.167 . 0 0 "[ . 1 . 2]" 1
199 1 14 CYS HA 1 16 TYR H . . 4.290 4.009 3.631 4.297 0.007 14 0 "[ . 1 . 2]" 1
200 1 14 CYS HA 1 24 HIS HE1 . . 5.140 4.817 4.702 4.967 . 0 0 "[ . 1 . 2]" 1
201 1 14 CYS HB2 1 24 HIS HE1 . . 3.050 2.670 2.410 3.054 0.004 16 0 "[ . 1 . 2]" 1
202 1 14 CYS HB3 1 16 TYR H . . 4.730 3.966 3.719 4.254 . 0 0 "[ . 1 . 2]" 1
203 1 14 CYS HB3 1 24 HIS HE1 . . 3.120 1.995 1.987 2.000 . 0 0 "[ . 1 . 2]" 1
204 1 15 THR HA 1 15 THR HB . . 2.640 2.515 2.416 2.623 . 0 0 "[ . 1 . 2]" 1
205 1 15 THR HA 1 15 THR MG . . 3.390 2.358 2.143 3.197 . 0 0 "[ . 1 . 2]" 1
206 1 15 THR HB 1 16 TYR H . . 4.060 3.774 3.544 4.067 0.007 19 0 "[ . 1 . 2]" 1
207 1 15 THR MG 1 16 TYR H . . 5.000 3.849 2.057 4.208 . 0 0 "[ . 1 . 2]" 1
208 1 16 TYR H 1 16 TYR HB2 . . 2.900 2.658 2.315 2.713 . 0 0 "[ . 1 . 2]" 1
209 1 16 TYR H 1 16 TYR HB3 . . 3.640 3.578 3.556 3.589 . 0 0 "[ . 1 . 2]" 1
210 1 16 TYR H 1 16 TYR QD . . 4.030 3.008 2.896 3.233 . 0 0 "[ . 1 . 2]" 1
211 1 16 TYR HA 1 16 TYR QD . . 3.880 2.252 2.114 2.455 . 0 0 "[ . 1 . 2]" 1
212 1 16 TYR HA 1 17 GLY QA . . 5.340 4.393 4.367 4.402 . 0 0 "[ . 1 . 2]" 1
213 1 16 TYR HA 1 18 ILE H . . 4.590 4.402 4.167 4.504 . 0 0 "[ . 1 . 2]" 1
214 1 16 TYR HA 1 19 LYS H . . 4.580 3.767 3.671 3.960 . 0 0 "[ . 1 . 2]" 1
215 1 16 TYR HA 1 19 LYS QB . . 4.650 4.123 3.046 4.672 0.022 10 0 "[ . 1 . 2]" 1
216 1 16 TYR HA 1 19 LYS QD . . 4.750 3.341 2.658 4.771 0.021 15 0 "[ . 1 . 2]" 1
217 1 16 TYR HA 1 19 LYS HG2 . . 4.930 2.862 2.292 4.729 . 0 0 "[ . 1 . 2]" 1
218 1 16 TYR HA 1 19 LYS QG . . 4.160 2.408 2.160 2.988 . 0 0 "[ . 1 . 2]" 1
219 1 16 TYR HA 1 19 LYS HG3 . . 4.930 2.847 2.639 3.440 . 0 0 "[ . 1 . 2]" 1
220 1 16 TYR HA 1 20 CYS H . . 5.260 4.941 4.214 5.262 0.002 6 0 "[ . 1 . 2]" 1
221 1 16 TYR HB2 1 17 GLY H . . 5.500 2.208 2.185 2.408 . 0 0 "[ . 1 . 2]" 1
222 1 16 TYR HB2 1 18 ILE H . . 5.050 4.748 4.683 4.882 . 0 0 "[ . 1 . 2]" 1
223 1 16 TYR HB2 1 19 LYS H . . 5.100 3.963 3.749 4.085 . 0 0 "[ . 1 . 2]" 1
224 1 16 TYR HB2 1 19 LYS HA . . 5.500 5.510 5.475 5.534 0.034 15 0 "[ . 1 . 2]" 1
225 1 16 TYR HB2 1 19 LYS QB . . 5.350 4.716 3.532 5.176 . 0 0 "[ . 1 . 2]" 1
226 1 16 TYR HB2 1 20 CYS H . . 4.840 3.273 2.570 3.618 . 0 0 "[ . 1 . 2]" 1
227 1 16 TYR HB2 1 20 CYS HA . . 3.760 2.715 2.306 3.027 . 0 0 "[ . 1 . 2]" 1
228 1 16 TYR HB2 1 20 CYS HB2 . . 2.930 2.026 1.973 2.532 . 0 0 "[ . 1 . 2]" 1
229 1 16 TYR HB2 1 20 CYS HB3 . . 4.230 3.698 3.595 4.130 . 0 0 "[ . 1 . 2]" 1
230 1 16 TYR HB3 1 17 GLY QA . . 5.340 4.636 4.338 4.713 . 0 0 "[ . 1 . 2]" 1
231 1 16 TYR HB3 1 18 ILE H . . 4.930 4.423 3.790 4.632 . 0 0 "[ . 1 . 2]" 1
232 1 16 TYR HB3 1 19 LYS H . . 4.070 2.987 2.358 3.216 . 0 0 "[ . 1 . 2]" 1
233 1 16 TYR HB3 1 19 LYS QB . . 4.950 3.193 1.962 3.713 . 0 0 "[ . 1 . 2]" 1
234 1 16 TYR HB3 1 20 CYS H . . 4.570 2.949 2.087 3.310 . 0 0 "[ . 1 . 2]" 1
235 1 16 TYR HB3 1 20 CYS HA . . 3.650 2.768 2.455 3.339 . 0 0 "[ . 1 . 2]" 1
236 1 16 TYR HB3 1 20 CYS HB3 . . 4.440 4.437 4.314 4.459 0.019 13 0 "[ . 1 . 2]" 1
237 1 16 TYR QD 1 20 CYS HA . . 4.890 2.660 2.135 2.903 . 0 0 "[ . 1 . 2]" 1
238 1 16 TYR QD 1 20 CYS HB2 . . 4.600 3.118 2.803 3.967 . 0 0 "[ . 1 . 2]" 1
239 1 17 GLY QA 1 18 ILE HB . . 5.340 4.632 4.575 4.697 . 0 0 "[ . 1 . 2]" 1
240 1 17 GLY QA 1 19 LYS H . . 4.380 3.890 3.724 4.004 . 0 0 "[ . 1 . 2]" 1
241 1 17 GLY QA 1 20 CYS H . . 4.960 4.421 4.001 4.673 . 0 0 "[ . 1 . 2]" 1
242 1 17 GLY QA 1 20 CYS HB2 . . 5.340 3.779 3.549 3.968 . 0 0 "[ . 1 . 2]" 1
243 1 17 GLY QA 1 24 HIS HE1 . . 4.830 3.261 2.442 3.936 . 0 0 "[ . 1 . 2]" 1
244 1 17 GLY HA2 1 18 ILE HA . . 5.500 4.541 4.534 4.558 . 0 0 "[ . 1 . 2]" 1
245 1 17 GLY HA2 1 19 LYS H . . 5.140 4.808 4.577 4.961 . 0 0 "[ . 1 . 2]" 1
246 1 17 GLY HA3 1 18 ILE HA . . 5.500 4.348 4.331 4.352 . 0 0 "[ . 1 . 2]" 1
247 1 17 GLY HA3 1 19 LYS H . . 5.140 4.110 3.942 4.245 . 0 0 "[ . 1 . 2]" 1
248 1 18 ILE H 1 19 LYS H . . 3.940 2.162 2.143 2.269 . 0 0 "[ . 1 . 2]" 1
249 1 18 ILE HA 1 18 ILE MD . . 3.880 3.317 1.994 3.877 . 0 0 "[ . 1 . 2]" 1
250 1 18 ILE HA 1 18 ILE MG . . 3.550 2.278 2.196 2.392 . 0 0 "[ . 1 . 2]" 1
251 1 18 ILE HA 1 19 LYS HA . . 4.780 4.619 4.598 4.669 . 0 0 "[ . 1 . 2]" 1
252 1 18 ILE HA 1 20 CYS H . . 4.550 3.697 3.589 4.079 . 0 0 "[ . 1 . 2]" 1
253 1 18 ILE HB 1 19 LYS H . . 3.860 3.004 2.851 3.284 . 0 0 "[ . 1 . 2]" 1
254 1 18 ILE HB 1 19 LYS HA . . 5.500 4.403 4.322 4.473 . 0 0 "[ . 1 . 2]" 1
255 1 18 ILE HB 1 19 LYS QG . . 4.360 4.012 2.951 4.362 0.002 6 0 "[ . 1 . 2]" 1
256 1 18 ILE MD 1 18 ILE MG . . 2.400 2.081 1.944 2.147 . 0 0 "[ . 1 . 2]" 1
257 1 18 ILE QG 1 19 LYS H . . 5.080 4.019 3.886 4.111 . 0 0 "[ . 1 . 2]" 1
258 1 18 ILE MG 1 19 LYS H . . 4.250 3.838 3.672 4.048 . 0 0 "[ . 1 . 2]" 1
259 1 18 ILE MG 1 19 LYS HA . . 5.280 3.835 3.606 4.028 . 0 0 "[ . 1 . 2]" 1
260 1 19 LYS H 1 19 LYS QD . . 4.680 3.728 2.736 4.101 . 0 0 "[ . 1 . 2]" 1
261 1 19 LYS H 1 19 LYS HG2 . . 3.720 2.045 1.941 2.489 . 0 0 "[ . 1 . 2]" 1
262 1 19 LYS H 1 19 LYS QG . . 3.200 1.972 1.927 2.153 . 0 0 "[ . 1 . 2]" 1
263 1 19 LYS H 1 19 LYS HG3 . . 3.720 3.146 2.317 3.540 . 0 0 "[ . 1 . 2]" 1
264 1 19 LYS H 1 20 CYS H . . 5.240 2.651 2.226 2.857 . 0 0 "[ . 1 . 2]" 1
265 1 19 LYS H 1 20 CYS HA . . 5.500 4.736 4.658 4.836 . 0 0 "[ . 1 . 2]" 1
266 1 19 LYS HA 1 19 LYS QD . . 4.530 4.135 2.287 4.461 . 0 0 "[ . 1 . 2]" 1
267 1 19 LYS HA 1 19 LYS HG2 . . 4.000 3.484 2.765 3.704 . 0 0 "[ . 1 . 2]" 1
268 1 19 LYS HA 1 19 LYS QG . . 3.490 3.212 2.697 3.345 . 0 0 "[ . 1 . 2]" 1
269 1 19 LYS HA 1 19 LYS HG3 . . 4.000 3.833 3.741 3.946 . 0 0 "[ . 1 . 2]" 1
270 1 19 LYS QG 1 20 CYS HA . . 5.340 4.231 3.764 5.425 0.085 17 0 "[ . 1 . 2]" 1
271 1 20 CYS H 1 20 CYS HB2 . . 3.710 2.578 2.339 2.741 . 0 0 "[ . 1 . 2]" 1
272 1 20 CYS H 1 20 CYS HB3 . . 4.090 2.563 2.392 2.719 . 0 0 "[ . 1 . 2]" 1
273 1 20 CYS HB2 1 24 HIS HD2 . . 4.060 3.550 2.927 4.078 0.018 19 0 "[ . 1 . 2]" 1
274 1 20 CYS HB3 1 24 HIS HD2 . . 3.890 2.419 1.997 3.248 . 0 0 "[ . 1 . 2]" 1
275 1 21 ARG HA 1 21 ARG QG . . 3.170 2.546 2.175 3.316 0.146 20 0 "[ . 1 . 2]" 1
276 1 21 ARG QB 1 21 ARG QD . . 3.460 2.324 2.053 2.800 . 0 0 "[ . 1 . 2]" 1
277 1 21 ARG QB 1 21 ARG QG . . 2.310 2.048 2.008 2.092 . 0 0 "[ . 1 . 2]" 1
278 1 21 ARG HB2 1 22 PHE HA . . 5.500 5.020 4.231 5.507 0.007 6 0 "[ . 1 . 2]" 1
279 1 21 ARG HB3 1 22 PHE HA . . 5.500 4.549 3.979 5.585 0.085 20 0 "[ . 1 . 2]" 1
280 1 22 PHE HA 1 22 PHE QD . . 4.240 2.914 2.714 3.027 . 0 0 "[ . 1 . 2]" 1
281 1 22 PHE HA 1 23 PHE H . . 3.020 2.530 2.485 2.596 . 0 0 "[ . 1 . 2]" 1
282 1 22 PHE HA 1 23 PHE HA . . 5.500 4.343 4.335 4.361 . 0 0 "[ . 1 . 2]" 1
283 1 22 PHE HA 1 23 PHE HB2 . . 4.710 4.418 4.245 4.624 . 0 0 "[ . 1 . 2]" 1
284 1 22 PHE HB2 1 23 PHE H . . 3.790 3.720 3.629 3.779 . 0 0 "[ . 1 . 2]" 1
285 1 22 PHE HB3 1 23 PHE H . . 3.060 2.249 2.118 2.331 . 0 0 "[ . 1 . 2]" 1
286 1 22 PHE HB3 1 23 PHE HA . . 4.410 4.397 4.331 4.423 0.013 10 0 "[ . 1 . 2]" 1
287 1 22 PHE HB3 1 24 HIS HD2 . . 5.180 4.958 4.744 5.074 . 0 0 "[ . 1 . 2]" 1
288 1 22 PHE QD 1 23 PHE H . . 4.790 2.907 2.549 3.231 . 0 0 "[ . 1 . 2]" 1
289 1 23 PHE H 1 23 PHE HB2 . . 3.490 2.660 2.424 2.902 . 0 0 "[ . 1 . 2]" 1
290 1 23 PHE H 1 23 PHE HB3 . . 2.980 2.587 2.371 2.827 . 0 0 "[ . 1 . 2]" 1
291 1 23 PHE H 1 23 PHE QD . . 4.690 4.207 4.126 4.258 . 0 0 "[ . 1 . 2]" 1
292 1 23 PHE H 1 24 HIS HD2 . . 5.470 5.438 5.358 5.479 0.009 3 0 "[ . 1 . 2]" 1
293 1 23 PHE HA 1 23 PHE QD . . 4.040 2.726 2.361 3.054 . 0 0 "[ . 1 . 2]" 1
294 1 23 PHE HA 1 24 HIS HD2 . . 5.290 4.236 4.090 4.457 . 0 0 "[ . 1 . 2]" 1
295 1 23 PHE QE 1 25 PRO HA . . 4.700 4.028 2.901 4.701 0.001 4 0 "[ . 1 . 2]" 1
296 1 24 HIS H 1 27 ARG HA . . 5.500 5.487 4.761 5.559 0.059 20 0 "[ . 1 . 2]" 1
297 1 24 HIS HA 1 25 PRO HD2 . . 3.450 2.428 2.414 2.439 . 0 0 "[ . 1 . 2]" 1
298 1 24 HIS HA 1 25 PRO HD3 . . 2.980 2.313 2.308 2.318 . 0 0 "[ . 1 . 2]" 1
299 1 24 HIS HA 1 25 PRO HG2 . . 4.700 4.529 4.518 4.538 . 0 0 "[ . 1 . 2]" 1
300 1 24 HIS HA 1 25 PRO HG3 . . 4.680 4.494 4.486 4.501 . 0 0 "[ . 1 . 2]" 1
301 1 24 HIS HA 1 27 ARG H . . 4.910 4.418 4.338 4.729 . 0 0 "[ . 1 . 2]" 1
302 1 24 HIS HB2 1 25 PRO HD2 . . 3.880 3.713 3.693 3.750 . 0 0 "[ . 1 . 2]" 1
303 1 24 HIS HB2 1 25 PRO HD3 . . 4.970 4.760 4.747 4.781 . 0 0 "[ . 1 . 2]" 1
304 1 24 HIS HB2 1 27 ARG H . . 5.500 2.880 2.659 3.670 . 0 0 "[ . 1 . 2]" 1
305 1 24 HIS HB2 1 27 ARG HA . . 4.420 4.243 3.899 4.449 0.029 11 0 "[ . 1 . 2]" 1
306 1 24 HIS HB3 1 24 HIS HE1 . . 4.990 4.741 4.727 4.749 . 0 0 "[ . 1 . 2]" 1
307 1 24 HIS HB3 1 25 PRO HD2 . . 4.480 2.172 2.129 2.253 . 0 0 "[ . 1 . 2]" 1
308 1 24 HIS HB3 1 25 PRO HD3 . . 5.300 3.589 3.556 3.653 . 0 0 "[ . 1 . 2]" 1
309 1 24 HIS HB3 1 25 PRO HG2 . . 4.160 3.775 3.750 3.823 . 0 0 "[ . 1 . 2]" 1
310 1 24 HIS HB3 1 27 ARG HA . . 4.800 4.655 4.452 4.821 0.021 18 0 "[ . 1 . 2]" 1
311 1 24 HIS HE1 1 25 PRO HD3 . . 5.500 5.477 5.397 5.522 0.022 10 0 "[ . 1 . 2]" 1
312 1 25 PRO HB2 1 26 GLU QG . . 2.950 2.896 2.822 3.131 0.181 16 0 "[ . 1 . 2]" 1
313 1 25 PRO HD2 1 26 GLU QG . . 5.130 4.168 3.623 4.353 . 0 0 "[ . 1 . 2]" 1
314 1 25 PRO HG2 1 26 GLU QG . . 2.850 2.447 2.322 2.556 . 0 0 "[ . 1 . 2]" 1
315 1 25 PRO HG3 1 26 GLU QG . . 4.020 3.963 3.831 4.031 0.011 18 0 "[ . 1 . 2]" 1
316 1 27 ARG HA 1 27 ARG QD . . 4.290 2.517 1.976 3.320 . 0 0 "[ . 1 . 2]" 1
317 1 27 ARG HA 1 27 ARG HG2 . . 3.810 2.547 2.341 2.752 . 0 0 "[ . 1 . 2]" 1
318 1 27 ARG HA 1 27 ARG HG3 . . 3.810 3.655 3.604 3.672 . 0 0 "[ . 1 . 2]" 1
319 1 27 ARG HA 1 28 PRO HD2 . . 3.010 2.469 2.355 2.488 . 0 0 "[ . 1 . 2]" 1
320 1 27 ARG HA 1 28 PRO HD3 . . 3.040 2.332 2.285 2.341 . 0 0 "[ . 1 . 2]" 1
321 1 27 ARG HA 1 28 PRO QG . . 4.110 4.046 3.973 4.058 . 0 0 "[ . 1 . 2]" 1
322 1 27 ARG HB2 1 27 ARG HG2 . . 2.700 2.613 2.496 2.725 0.025 14 0 "[ . 1 . 2]" 1
323 1 27 ARG HB2 1 27 ARG QG . . 2.240 2.159 2.143 2.173 . 0 0 "[ . 1 . 2]" 1
324 1 27 ARG HB2 1 27 ARG HG3 . . 2.700 2.307 2.242 2.391 . 0 0 "[ . 1 . 2]" 1
325 1 27 ARG HB2 1 28 PRO HD2 . . 4.050 3.617 3.601 3.818 . 0 0 "[ . 1 . 2]" 1
326 1 27 ARG HB3 1 27 ARG QG . . 2.520 2.441 2.370 2.499 . 0 0 "[ . 1 . 2]" 1
327 1 27 ARG HB3 1 28 PRO HD2 . . 3.640 2.006 1.986 2.295 . 0 0 "[ . 1 . 2]" 1
328 1 27 ARG HB3 1 28 PRO HD3 . . 4.120 3.451 3.434 3.691 . 0 0 "[ . 1 . 2]" 1
329 1 27 ARG QD 1 28 PRO HD3 . . 5.000 2.878 2.434 3.548 . 0 0 "[ . 1 . 2]" 1
330 1 27 ARG QG 1 28 PRO HD2 . . 4.160 3.405 3.301 3.505 . 0 0 "[ . 1 . 2]" 1
331 1 27 ARG QG 1 28 PRO HD3 . . 5.220 4.174 3.967 4.291 . 0 0 "[ . 1 . 2]" 1
332 1 28 PRO HA 1 29 SER QB . . 4.750 4.359 4.018 4.747 . 0 0 "[ . 1 . 2]" 1
333 1 28 PRO HB2 1 29 SER HA . . 4.780 4.476 3.921 4.795 0.015 17 0 "[ . 1 . 2]" 1
stop_
save_