NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384812 |
1kqe   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kqe
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 344
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 15.937
_Distance_constraint_stats_list.Viol_max 1.219
_Distance_constraint_stats_list.Viol_rms 0.1489
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0463
_Distance_constraint_stats_list.Viol_average_violations_only 0.1643
_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 TRP 0.173 0.134 1 0 "[ ]"
1 4 TRP 0.425 0.161 1 0 "[ ]"
1 6 TRP 0.786 0.211 1 0 "[ ]"
1 8 TRP 1.094 0.598 1 1 [+]
1 10 VAL 2.182 1.081 1 1 [+]
1 12 ALA 2.012 1.150 1 1 [+]
1 13 SIN 0.553 0.354 1 0 "[ ]"
1 14 ALA 2.390 1.219 1 1 [+]
1 16 VAL 2.060 1.109 1 1 [+]
1 18 TRP 1.083 0.564 1 1 [+]
1 20 TRP 0.818 0.186 1 0 "[ ]"
1 22 TRP 0.478 0.126 1 0 "[ ]"
1 24 TRP 0.251 0.163 1 0 "[ ]"
2 2 TRP 0.213 0.161 1 0 "[ ]"
2 4 TRP 0.398 0.134 1 0 "[ ]"
2 6 TRP 0.810 0.238 1 0 "[ ]"
2 8 TRP 1.075 0.589 1 1 [+]
2 10 VAL 2.256 1.150 1 1 [+]
2 12 ALA 1.945 1.081 1 1 [+]
2 13 SIN 0.396 0.190 1 0 "[ ]"
2 14 ALA 1.763 1.109 1 1 [+]
2 16 VAL 2.458 1.219 1 1 [+]
2 18 TRP 1.124 0.597 1 1 [+]
2 20 TRP 0.810 0.183 1 0 "[ ]"
2 22 TRP 0.489 0.163 1 0 "[ ]"
2 24 TRP 0.236 0.124 1 0 "[ ]"
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 TRP H 1 2 TRP HB2 3.500 . 4.000 3.187 3.187 3.187 . 0 0 "[ ]" 1
2 1 2 TRP H 1 2 TRP HB3 3.250 . 4.000 4.008 4.008 4.008 0.008 1 0 "[ ]" 1
3 1 2 TRP H 2 4 TRP H 4.250 2.450 5.000 3.985 3.985 3.985 . 0 0 "[ ]" 1
4 1 2 TRP HA 1 2 TRP HD1 4.250 2.450 5.000 4.158 4.158 4.158 . 0 0 "[ ]" 1
5 1 2 TRP HA 1 2 TRP HE3 3.500 . 4.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
6 1 2 TRP HA 2 4 TRP H 3.500 . 4.000 2.603 2.603 2.603 . 0 0 "[ ]" 1
7 1 2 TRP HA 2 4 TRP HB3 3.500 . 4.000 2.859 2.859 2.859 . 0 0 "[ ]" 1
8 1 2 TRP HA 2 4 TRP HD1 4.250 2.450 5.000 4.960 4.960 4.960 . 0 0 "[ ]" 1
9 1 2 TRP HB2 1 2 TRP HD1 3.500 . 4.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
10 1 2 TRP HB2 1 2 TRP HE3 3.500 . 4.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
11 1 2 TRP HB3 1 2 TRP HD1 3.500 . 4.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
12 1 2 TRP HB3 1 2 TRP HE3 3.500 . 4.000 2.434 2.434 2.434 . 0 0 "[ ]" 1
13 1 2 TRP HD1 2 4 TRP H 4.250 2.450 5.000 5.134 5.134 5.134 0.134 1 0 "[ ]" 1
14 1 2 TRP HE3 2 4 TRP H 4.500 2.700 5.000 4.496 4.496 4.496 . 0 0 "[ ]" 1
15 1 2 TRP HE3 2 4 TRP HB2 3.500 . 4.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
16 1 2 TRP HE3 2 4 TRP HB3 3.500 . 4.000 4.030 4.030 4.030 0.030 1 0 "[ ]" 1
17 1 4 TRP H 1 4 TRP HB2 3.500 . 4.000 3.131 3.131 3.131 . 0 0 "[ ]" 1
18 1 4 TRP H 1 4 TRP HB3 3.500 . 4.000 3.258 3.258 3.258 . 0 0 "[ ]" 1
19 1 4 TRP H 2 2 TRP H 4.250 2.450 5.000 3.981 3.981 3.981 . 0 0 "[ ]" 1
20 1 4 TRP H 2 2 TRP HA 3.500 . 4.000 2.595 2.595 2.595 . 0 0 "[ ]" 1
21 1 4 TRP H 2 2 TRP HD1 4.250 2.450 5.000 5.161 5.161 5.161 0.161 1 0 "[ ]" 1
22 1 4 TRP H 2 2 TRP HE3 4.500 2.700 5.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
23 1 4 TRP H 2 6 TRP H 3.500 . 4.000 4.048 4.048 4.048 0.048 1 0 "[ ]" 1
24 1 4 TRP HA 1 4 TRP HB2 2.000 . 2.750 2.639 2.639 2.639 . 0 0 "[ ]" 1
25 1 4 TRP HA 1 4 TRP HD1 3.500 . 4.000 3.914 3.914 3.914 . 0 0 "[ ]" 1
26 1 4 TRP HA 1 4 TRP HE3 3.500 . 4.000 3.100 3.100 3.100 . 0 0 "[ ]" 1
27 1 4 TRP HB2 1 4 TRP HD1 3.500 . 4.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
28 1 4 TRP HB2 1 4 TRP HE3 3.500 . 4.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
29 1 4 TRP HB2 2 2 TRP HE3 3.500 . 4.000 3.998 3.998 3.998 . 0 0 "[ ]" 1
30 1 4 TRP HB2 2 6 TRP H 3.500 . 4.000 4.014 4.014 4.014 0.014 1 0 "[ ]" 1
31 1 4 TRP HB3 1 4 TRP HD1 3.500 . 4.000 2.664 2.664 2.664 . 0 0 "[ ]" 1
32 1 4 TRP HB3 1 4 TRP HE3 3.500 . 4.000 4.052 4.052 4.052 0.052 1 0 "[ ]" 1
33 1 4 TRP HB3 2 2 TRP HA 3.500 . 4.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
34 1 4 TRP HB3 2 2 TRP HE3 3.500 . 4.000 4.040 4.040 4.040 0.040 1 0 "[ ]" 1
35 1 4 TRP HB3 2 6 TRP H 4.250 2.450 5.000 5.110 5.110 5.110 0.110 1 0 "[ ]" 1
36 1 4 TRP HD1 2 2 TRP HA 4.250 2.450 5.000 4.985 4.985 4.985 . 0 0 "[ ]" 1
37 1 4 TRP HD1 2 6 TRP QB 4.400 2.600 4.900 4.478 4.478 4.478 . 0 0 "[ ]" 1
38 1 4 TRP HE1 2 6 TRP QB 5.150 3.350 5.900 4.072 4.072 4.072 . 0 0 "[ ]" 1
39 1 4 TRP HE3 2 6 TRP H 3.500 . 4.000 2.857 2.857 2.857 . 0 0 "[ ]" 1
40 1 4 TRP HE3 2 6 TRP QB 4.400 2.600 4.900 2.986 2.986 2.986 . 0 0 "[ ]" 1
41 1 6 TRP H 1 6 TRP QB 4.400 2.600 4.900 2.896 2.896 2.896 . 0 0 "[ ]" 1
42 1 6 TRP H 1 6 TRP HD1 4.250 2.450 5.000 5.082 5.082 5.082 0.082 1 0 "[ ]" 1
43 1 6 TRP H 2 4 TRP H 3.500 . 4.000 4.056 4.056 4.056 0.056 1 0 "[ ]" 1
44 1 6 TRP H 2 4 TRP HB2 3.500 . 4.000 4.015 4.015 4.015 0.015 1 0 "[ ]" 1
45 1 6 TRP H 2 4 TRP HB3 4.250 2.450 5.000 5.112 5.112 5.112 0.112 1 0 "[ ]" 1
46 1 6 TRP H 2 4 TRP HE3 3.500 . 4.000 2.874 2.874 2.874 . 0 0 "[ ]" 1
47 1 6 TRP H 2 8 TRP H 4.500 2.700 5.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
48 1 6 TRP HA 1 6 TRP HD1 3.500 . 4.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
49 1 6 TRP HA 1 6 TRP HE3 3.500 2.700 4.000 4.036 4.036 4.036 0.036 1 0 "[ ]" 1
50 1 6 TRP HA 2 8 TRP H 3.250 . 4.000 2.733 2.733 2.733 . 0 0 "[ ]" 1
51 1 6 TRP HA 2 8 TRP HB2 3.500 . 4.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
52 1 6 TRP HA 2 8 TRP HB3 3.500 . 4.000 2.556 2.556 2.556 . 0 0 "[ ]" 1
53 1 6 TRP QB 1 6 TRP HD1 4.150 2.350 4.900 2.775 2.775 2.775 . 0 0 "[ ]" 1
54 1 6 TRP QB 1 6 TRP HE3 4.400 2.600 4.900 2.423 2.423 2.423 0.177 1 0 "[ ]" 1
55 1 6 TRP QB 2 4 TRP HD1 4.400 2.600 4.900 4.481 4.481 4.481 . 0 0 "[ ]" 1
56 1 6 TRP QB 2 4 TRP HE1 5.150 3.350 5.900 4.055 4.055 4.055 . 0 0 "[ ]" 1
57 1 6 TRP QB 2 4 TRP HE3 4.400 2.600 4.900 3.003 3.003 3.003 . 0 0 "[ ]" 1
58 1 6 TRP QB 2 8 TRP H 4.400 3.600 4.900 3.389 3.389 3.389 0.211 1 0 "[ ]" 1
59 1 6 TRP QB 2 8 TRP HD1 5.400 3.600 5.900 5.190 5.190 5.190 . 0 0 "[ ]" 1
60 1 6 TRP HD1 2 8 TRP H 4.250 2.450 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
61 1 6 TRP HD1 2 8 TRP HB2 4.500 2.700 5.000 4.856 4.856 4.856 . 0 0 "[ ]" 1
62 1 6 TRP HD1 2 8 TRP HB3 3.250 . 4.000 3.255 3.255 3.255 . 0 0 "[ ]" 1
63 1 6 TRP HE3 2 8 TRP H 3.500 . 4.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
64 1 6 TRP HE3 2 8 TRP HB2 3.500 . 4.000 4.083 4.083 4.083 0.083 1 0 "[ ]" 1
65 1 6 TRP HE3 2 8 TRP HB3 3.500 . 4.000 4.010 4.010 4.010 0.010 1 0 "[ ]" 1
66 1 8 TRP H 1 8 TRP HB2 3.500 . 4.000 2.446 2.446 2.446 . 0 0 "[ ]" 1
67 1 8 TRP H 1 8 TRP HB3 3.500 . 4.000 2.496 2.496 2.496 . 0 0 "[ ]" 1
68 1 8 TRP H 1 8 TRP HD1 4.250 2.450 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
69 1 8 TRP H 1 8 TRP HE3 4.250 2.450 5.000 4.428 4.428 4.428 . 0 0 "[ ]" 1
70 1 8 TRP H 2 6 TRP H 4.500 2.700 5.000 4.722 4.722 4.722 . 0 0 "[ ]" 1
71 1 8 TRP H 2 6 TRP HA 3.250 . 4.000 2.725 2.725 2.725 . 0 0 "[ ]" 1
72 1 8 TRP H 2 6 TRP QB . 3.600 4.900 3.362 3.362 3.362 0.238 1 0 "[ ]" 1
73 1 8 TRP H 2 6 TRP HD1 4.250 2.450 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1
74 1 8 TRP H 2 6 TRP HE3 3.500 . 4.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
75 1 8 TRP HA 1 8 TRP HD1 4.500 2.700 5.000 4.313 4.313 4.313 . 0 0 "[ ]" 1
76 1 8 TRP HA 1 8 TRP HE3 3.500 . 4.000 2.617 2.617 2.617 . 0 0 "[ ]" 1
77 1 8 TRP HA 1 8 TRP HZ3 4.250 2.450 5.000 4.738 4.738 4.738 . 0 0 "[ ]" 1
78 1 8 TRP HA 2 10 VAL H 3.250 . 4.000 2.391 2.391 2.391 . 0 0 "[ ]" 1
79 1 8 TRP HA 2 10 VAL HB 3.500 . 4.000 3.096 3.096 3.096 . 0 0 "[ ]" 1
80 1 8 TRP HA 2 10 VAL QG 5.000 3.200 5.500 3.420 3.420 3.420 . 0 0 "[ ]" 1
81 1 8 TRP HB2 1 8 TRP HD1 3.500 . 4.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
82 1 8 TRP HB2 1 8 TRP HE3 3.250 . 4.000 2.680 2.680 2.680 . 0 0 "[ ]" 1
83 1 8 TRP HB2 2 6 TRP HA 3.500 . 4.000 3.940 3.940 3.940 . 0 0 "[ ]" 1
84 1 8 TRP HB2 2 6 TRP HD1 4.500 2.700 5.000 4.837 4.837 4.837 . 0 0 "[ ]" 1
85 1 8 TRP HB2 2 6 TRP HE3 3.500 . 4.000 4.073 4.073 4.073 0.073 1 0 "[ ]" 1
86 1 8 TRP HB2 2 10 VAL H 3.500 . 4.000 3.952 3.952 3.952 . 0 0 "[ ]" 1
87 1 8 TRP HB3 1 8 TRP HD1 3.500 . 4.000 2.608 2.608 2.608 . 0 0 "[ ]" 1
88 1 8 TRP HB3 1 8 TRP HE3 3.500 . 4.000 4.099 4.099 4.099 0.099 1 0 "[ ]" 1
89 1 8 TRP HB3 2 6 TRP HA 3.500 . 4.000 2.534 2.534 2.534 . 0 0 "[ ]" 1
90 1 8 TRP HB3 2 6 TRP HD1 3.500 . 4.000 3.238 3.238 3.238 . 0 0 "[ ]" 1
91 1 8 TRP HB3 2 6 TRP HE3 3.500 . 4.000 4.009 4.009 4.009 0.009 1 0 "[ ]" 1
92 1 8 TRP HB3 2 10 VAL H 4.500 2.700 5.000 5.054 5.054 5.054 0.054 1 0 "[ ]" 1
93 1 8 TRP HD1 2 6 TRP QB 5.400 3.600 5.900 5.179 5.179 5.179 . 0 0 "[ ]" 1
94 1 8 TRP HD1 2 10 VAL QG 6.000 4.200 6.500 5.298 5.298 5.298 . 0 0 "[ ]" 1
95 1 8 TRP HE3 2 10 VAL HB 3.500 . 4.000 2.541 2.541 2.541 . 0 0 "[ ]" 1
96 1 8 TRP HE3 2 10 VAL QG 5.000 3.200 5.500 3.373 3.373 3.373 . 0 0 "[ ]" 1
97 1 8 TRP HZ3 2 10 VAL HB 3.500 2.700 4.000 2.692 2.692 2.692 0.008 1 0 "[ ]" 1
98 1 8 TRP HZ3 2 10 VAL QG 5.000 3.200 5.500 2.602 2.602 2.602 0.598 1 1 [+] 1
99 1 10 VAL H 1 10 VAL HB 3.500 . 4.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
100 1 10 VAL H 1 10 VAL QG 5.000 3.200 5.500 3.175 3.175 3.175 0.025 1 0 "[ ]" 1
101 1 10 VAL H 2 8 TRP HA 3.250 . 4.000 2.394 2.394 2.394 . 0 0 "[ ]" 1
102 1 10 VAL H 2 8 TRP HB2 3.500 . 4.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
103 1 10 VAL H 2 8 TRP HB3 4.500 2.700 5.000 5.053 5.053 5.053 0.053 1 0 "[ ]" 1
104 1 10 VAL H 2 12 ALA MB 5.750 3.950 6.500 5.100 5.100 5.100 . 0 0 "[ ]" 1
105 1 10 VAL HA 2 12 ALA H 3.500 . 4.000 2.708 2.708 2.708 . 0 0 "[ ]" 1
106 1 10 VAL HA 2 12 ALA MB 4.750 2.950 5.500 2.612 2.612 2.612 0.338 1 0 "[ ]" 1
107 1 10 VAL HB 1 10 VAL QG 4.750 . 5.500 1.874 1.874 1.874 0.076 1 0 "[ ]" 1
108 1 10 VAL HB 2 8 TRP HA 3.500 . 4.000 3.117 3.117 3.117 . 0 0 "[ ]" 1
109 1 10 VAL HB 2 8 TRP HE3 3.500 . 4.000 2.525 2.525 2.525 . 0 0 "[ ]" 1
110 1 10 VAL HB 2 8 TRP HZ3 . 2.700 4.000 2.680 2.680 2.680 0.020 1 0 "[ ]" 1
111 1 10 VAL QG 2 8 TRP HA 5.000 3.200 5.500 3.398 3.398 3.398 . 0 0 "[ ]" 1
112 1 10 VAL QG 2 8 TRP HD1 6.000 4.200 6.500 5.308 5.308 5.308 . 0 0 "[ ]" 1
113 1 10 VAL QG 2 8 TRP HE3 5.000 3.200 5.500 3.377 3.377 3.377 . 0 0 "[ ]" 1
114 1 10 VAL QG 2 8 TRP HZ3 5.000 3.200 5.500 2.611 2.611 2.611 0.589 1 1 [+] 1
115 1 10 VAL QG 2 12 ALA MB 5.500 3.700 6.000 2.619 2.619 2.619 1.081 1 1 [+] 1
116 1 12 ALA H 1 12 ALA MB 4.750 2.950 5.500 2.629 2.629 2.629 0.321 1 0 "[ ]" 1
117 1 12 ALA H 1 13 SIN H21 2.000 . 2.750 2.158 2.158 2.158 . 0 0 "[ ]" 1
118 1 12 ALA H 1 13 SIN H22 3.250 . 4.000 3.105 3.105 3.105 . 0 0 "[ ]" 1
119 1 12 ALA H 2 10 VAL HA 3.500 . 4.000 2.814 2.814 2.814 . 0 0 "[ ]" 1
120 1 12 ALA HA 1 13 SIN H21 4.500 2.700 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
121 1 12 ALA HA 1 13 SIN H22 4.250 2.450 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
122 1 12 ALA MB 1 13 SIN H21 6.000 4.200 6.500 4.047 4.047 4.047 0.153 1 0 "[ ]" 1
123 1 12 ALA MB 1 13 SIN H22 5.750 3.950 6.500 3.904 3.904 3.904 0.046 1 0 "[ ]" 1
124 1 12 ALA MB 2 10 VAL H 5.750 3.950 6.500 5.059 5.059 5.059 . 0 0 "[ ]" 1
125 1 12 ALA MB 2 10 VAL HA 4.750 2.950 5.500 2.608 2.608 2.608 0.342 1 0 "[ ]" 1
126 1 12 ALA MB 2 10 VAL QG . 3.700 6.000 2.550 2.550 2.550 1.150 1 1 [+] 1
127 1 13 SIN H21 1 13 SIN H22 2.000 . 2.750 1.749 1.749 1.749 . 0 0 "[ ]" 1
128 1 13 SIN H31 1 13 SIN H32 2.000 . 2.750 1.745 1.745 1.745 . 0 0 "[ ]" 1
129 1 13 SIN H31 1 14 ALA H 2.000 . 2.750 2.221 2.221 2.221 . 0 0 "[ ]" 1
130 1 13 SIN H31 1 14 ALA HA 4.500 2.700 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
131 1 13 SIN H31 1 14 ALA MB 6.000 4.200 6.500 3.846 3.846 3.846 0.354 1 0 "[ ]" 1
132 1 13 SIN H32 1 14 ALA H 3.250 . 4.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
133 1 13 SIN H32 1 14 ALA HA 4.250 2.450 5.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
134 1 13 SIN H32 1 14 ALA MB 5.750 3.950 6.500 4.605 4.605 4.605 . 0 0 "[ ]" 1
135 1 14 ALA H 1 14 ALA MB 4.750 2.950 5.500 2.628 2.628 2.628 0.322 1 0 "[ ]" 1
136 1 14 ALA H 2 16 VAL HA 3.500 . 4.000 2.857 2.857 2.857 . 0 0 "[ ]" 1
137 1 14 ALA MB 2 16 VAL H 5.750 3.950 6.500 5.025 5.025 5.025 . 0 0 "[ ]" 1
138 1 14 ALA MB 2 16 VAL HA 4.750 2.950 5.500 2.454 2.454 2.454 0.496 1 0 "[ ]" 1
139 1 14 ALA MB 2 16 VAL QG . 3.700 6.000 2.481 2.481 2.481 1.219 1 1 [+] 1
140 1 16 VAL H 1 16 VAL HB 3.500 . 4.000 2.752 2.752 2.752 . 0 0 "[ ]" 1
141 1 16 VAL H 1 16 VAL QG 5.000 3.200 5.500 3.177 3.177 3.177 0.023 1 0 "[ ]" 1
142 1 16 VAL H 2 14 ALA MB 5.750 3.950 6.500 5.246 5.246 5.246 . 0 0 "[ ]" 1
143 1 16 VAL H 2 18 TRP HA 3.250 . 4.000 2.381 2.381 2.381 . 0 0 "[ ]" 1
144 1 16 VAL H 2 18 TRP HB2 3.500 . 4.000 3.983 3.983 3.983 . 0 0 "[ ]" 1
145 1 16 VAL H 2 18 TRP HB3 4.500 2.700 5.000 5.052 5.052 5.052 0.052 1 0 "[ ]" 1
146 1 16 VAL HA 2 14 ALA H 3.500 . 4.000 2.541 2.541 2.541 . 0 0 "[ ]" 1
147 1 16 VAL HA 2 14 ALA MB 4.750 2.950 5.500 2.782 2.782 2.782 0.168 1 0 "[ ]" 1
148 1 16 VAL HB 1 16 VAL QG 4.750 . 5.500 1.873 1.873 1.873 0.077 1 0 "[ ]" 1
149 1 16 VAL HB 2 18 TRP HA 3.500 . 4.000 3.073 3.073 3.073 . 0 0 "[ ]" 1
150 1 16 VAL HB 2 18 TRP HE3 3.500 . 4.000 2.523 2.523 2.523 . 0 0 "[ ]" 1
151 1 16 VAL HB 2 18 TRP HZ3 . 2.700 4.000 2.665 2.665 2.665 0.035 1 0 "[ ]" 1
152 1 16 VAL QG 2 14 ALA MB 5.500 3.700 6.000 2.591 2.591 2.591 1.109 1 1 [+] 1
153 1 16 VAL QG 2 18 TRP HA 5.000 3.200 5.500 3.390 3.390 3.390 . 0 0 "[ ]" 1
154 1 16 VAL QG 2 18 TRP HD1 6.000 4.200 6.500 5.308 5.308 5.308 . 0 0 "[ ]" 1
155 1 16 VAL QG 2 18 TRP HE3 5.000 3.200 5.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
156 1 16 VAL QG 2 18 TRP HZ3 5.000 3.200 5.500 2.603 2.603 2.603 0.597 1 1 [+] 1
157 1 18 TRP H 1 18 TRP HB2 3.500 . 4.000 2.417 2.417 2.417 . 0 0 "[ ]" 1
158 1 18 TRP H 1 18 TRP HB3 3.500 . 4.000 2.503 2.503 2.503 . 0 0 "[ ]" 1
159 1 18 TRP H 1 18 TRP HD1 4.250 2.450 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
160 1 18 TRP H 1 18 TRP HE3 4.250 2.450 5.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
161 1 18 TRP H 2 20 TRP H 4.500 2.700 5.000 4.845 4.845 4.845 . 0 0 "[ ]" 1
162 1 18 TRP H 2 20 TRP HA 3.250 . 4.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
163 1 18 TRP H 2 20 TRP QB . 3.600 4.900 3.417 3.417 3.417 0.183 1 0 "[ ]" 1
164 1 18 TRP H 2 20 TRP HD1 4.250 2.450 5.000 4.976 4.976 4.976 . 0 0 "[ ]" 1
165 1 18 TRP H 2 20 TRP HE3 3.500 . 4.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
166 1 18 TRP HA 1 18 TRP HD1 4.500 2.700 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 1
167 1 18 TRP HA 1 18 TRP HE3 3.500 . 4.000 2.560 2.560 2.560 . 0 0 "[ ]" 1
168 1 18 TRP HA 1 18 TRP HZ3 4.250 2.450 5.000 4.694 4.694 4.694 . 0 0 "[ ]" 1
169 1 18 TRP HA 2 16 VAL H 3.250 . 4.000 2.391 2.391 2.391 . 0 0 "[ ]" 1
170 1 18 TRP HA 2 16 VAL HB 3.500 . 4.000 3.089 3.089 3.089 . 0 0 "[ ]" 1
171 1 18 TRP HA 2 16 VAL QG 5.000 3.200 5.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
172 1 18 TRP HB2 1 18 TRP HD1 3.500 . 4.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
173 1 18 TRP HB2 1 18 TRP HE3 3.250 . 4.000 2.719 2.719 2.719 . 0 0 "[ ]" 1
174 1 18 TRP HB2 2 16 VAL H 3.500 . 4.000 3.993 3.993 3.993 . 0 0 "[ ]" 1
175 1 18 TRP HB2 2 20 TRP HA 3.500 . 4.000 4.056 4.056 4.056 0.056 1 0 "[ ]" 1
176 1 18 TRP HB2 2 20 TRP HD1 4.500 2.700 5.000 4.831 4.831 4.831 . 0 0 "[ ]" 1
177 1 18 TRP HB2 2 20 TRP HE3 3.500 . 4.000 4.066 4.066 4.066 0.066 1 0 "[ ]" 1
178 1 18 TRP HB3 1 18 TRP HD1 3.500 . 4.000 2.598 2.598 2.598 . 0 0 "[ ]" 1
179 1 18 TRP HB3 1 18 TRP HE3 3.500 . 4.000 4.106 4.106 4.106 0.106 1 0 "[ ]" 1
180 1 18 TRP HB3 2 16 VAL H 4.500 2.700 5.000 5.058 5.058 5.058 0.058 1 0 "[ ]" 1
181 1 18 TRP HB3 2 20 TRP HA 3.500 . 4.000 2.683 2.683 2.683 . 0 0 "[ ]" 1
182 1 18 TRP HB3 2 20 TRP HD1 3.500 . 4.000 3.183 3.183 3.183 . 0 0 "[ ]" 1
183 1 18 TRP HB3 2 20 TRP HE3 3.500 . 4.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
184 1 18 TRP HD1 2 16 VAL QG 6.000 4.200 6.500 5.316 5.316 5.316 . 0 0 "[ ]" 1
185 1 18 TRP HD1 2 20 TRP QB 5.400 3.600 5.900 5.147 5.147 5.147 . 0 0 "[ ]" 1
186 1 18 TRP HE3 2 16 VAL HB 3.500 . 4.000 2.524 2.524 2.524 . 0 0 "[ ]" 1
187 1 18 TRP HE3 2 16 VAL QG 5.000 3.200 5.500 3.377 3.377 3.377 . 0 0 "[ ]" 1
188 1 18 TRP HZ3 2 16 VAL HB 3.500 2.700 4.000 2.672 2.672 2.672 0.028 1 0 "[ ]" 1
189 1 18 TRP HZ3 2 16 VAL QG 5.000 3.200 5.500 2.636 2.636 2.636 0.564 1 1 [+] 1
190 1 20 TRP H 1 20 TRP QB 4.400 2.600 4.900 2.835 2.835 2.835 . 0 0 "[ ]" 1
191 1 20 TRP H 1 20 TRP HD1 4.250 2.450 5.000 5.070 5.070 5.070 0.070 1 0 "[ ]" 1
192 1 20 TRP H 2 18 TRP H 4.500 2.700 5.000 4.835 4.835 4.835 . 0 0 "[ ]" 1
193 1 20 TRP H 2 22 TRP H 3.500 . 4.000 3.995 3.995 3.995 . 0 0 "[ ]" 1
194 1 20 TRP H 2 22 TRP HB2 3.500 . 4.000 4.065 4.065 4.065 0.065 1 0 "[ ]" 1
195 1 20 TRP H 2 22 TRP HB3 4.250 2.450 5.000 5.122 5.122 5.122 0.122 1 0 "[ ]" 1
196 1 20 TRP H 2 22 TRP HE3 3.500 . 4.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
197 1 20 TRP HA 1 20 TRP HD1 3.500 . 4.000 3.160 3.160 3.160 . 0 0 "[ ]" 1
198 1 20 TRP HA 1 20 TRP HE3 3.500 2.700 4.000 4.061 4.061 4.061 0.061 1 0 "[ ]" 1
199 1 20 TRP HA 2 18 TRP H 3.250 . 4.000 2.795 2.795 2.795 . 0 0 "[ ]" 1
200 1 20 TRP HA 2 18 TRP HB2 3.500 . 4.000 4.049 4.049 4.049 0.049 1 0 "[ ]" 1
201 1 20 TRP HA 2 18 TRP HB3 3.500 . 4.000 2.674 2.674 2.674 . 0 0 "[ ]" 1
202 1 20 TRP QB 1 20 TRP HD1 4.150 2.350 4.900 2.787 2.787 2.787 . 0 0 "[ ]" 1
203 1 20 TRP QB 1 20 TRP HE3 4.400 2.600 4.900 2.417 2.417 2.417 0.183 1 0 "[ ]" 1
204 1 20 TRP QB 2 18 TRP H 4.400 3.600 4.900 3.414 3.414 3.414 0.186 1 0 "[ ]" 1
205 1 20 TRP QB 2 18 TRP HD1 5.400 3.600 5.900 5.164 5.164 5.164 . 0 0 "[ ]" 1
206 1 20 TRP QB 2 22 TRP HD1 4.400 2.600 4.900 4.459 4.459 4.459 . 0 0 "[ ]" 1
207 1 20 TRP QB 2 22 TRP HE1 5.150 3.350 5.900 4.122 4.122 4.122 . 0 0 "[ ]" 1
208 1 20 TRP QB 2 22 TRP HE3 4.400 2.600 4.900 2.977 2.977 2.977 . 0 0 "[ ]" 1
209 1 20 TRP HD1 2 18 TRP H 4.250 2.450 5.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
210 1 20 TRP HD1 2 18 TRP HB2 4.500 2.700 5.000 4.865 4.865 4.865 . 0 0 "[ ]" 1
211 1 20 TRP HD1 2 18 TRP HB3 3.250 . 4.000 3.223 3.223 3.223 . 0 0 "[ ]" 1
212 1 20 TRP HE3 2 18 TRP H 3.500 . 4.000 2.957 2.957 2.957 . 0 0 "[ ]" 1
213 1 20 TRP HE3 2 18 TRP HB2 3.500 . 4.000 4.082 4.082 4.082 0.082 1 0 "[ ]" 1
214 1 20 TRP HE3 2 18 TRP HB3 3.500 . 4.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
215 1 22 TRP H 1 22 TRP HB2 3.500 . 4.000 3.163 3.163 3.163 . 0 0 "[ ]" 1
216 1 22 TRP H 1 22 TRP HB3 3.500 . 4.000 3.278 3.278 3.278 . 0 0 "[ ]" 1
217 1 22 TRP H 2 20 TRP H 3.500 . 4.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
218 1 22 TRP H 2 24 TRP H 4.250 2.450 5.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
219 1 22 TRP H 2 24 TRP HA 3.500 . 4.000 2.200 2.200 2.200 . 0 0 "[ ]" 1
220 1 22 TRP H 2 24 TRP HD1 4.250 2.450 5.000 5.112 5.112 5.112 0.112 1 0 "[ ]" 1
221 1 22 TRP H 2 24 TRP HE3 4.500 2.700 5.000 4.478 4.478 4.478 . 0 0 "[ ]" 1
222 1 22 TRP HA 1 22 TRP HB2 2.000 . 2.750 2.639 2.639 2.639 . 0 0 "[ ]" 1
223 1 22 TRP HA 1 22 TRP HD1 3.500 . 4.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
224 1 22 TRP HA 1 22 TRP HE3 3.500 . 4.000 3.105 3.105 3.105 . 0 0 "[ ]" 1
225 1 22 TRP HB2 1 22 TRP HD1 3.500 . 4.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
226 1 22 TRP HB2 1 22 TRP HE3 3.500 . 4.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
227 1 22 TRP HB2 2 20 TRP H 3.500 . 4.000 4.059 4.059 4.059 0.059 1 0 "[ ]" 1
228 1 22 TRP HB2 2 24 TRP HE3 3.500 . 4.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
229 1 22 TRP HB3 1 22 TRP HD1 3.500 . 4.000 2.627 2.627 2.627 . 0 0 "[ ]" 1
230 1 22 TRP HB3 1 22 TRP HE3 3.500 . 4.000 4.058 4.058 4.058 0.058 1 0 "[ ]" 1
231 1 22 TRP HB3 2 20 TRP H 4.250 2.450 5.000 5.126 5.126 5.126 0.126 1 0 "[ ]" 1
232 1 22 TRP HB3 2 24 TRP HA 3.500 . 4.000 3.005 3.005 3.005 . 0 0 "[ ]" 1
233 1 22 TRP HB3 2 24 TRP HE3 3.500 . 4.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
234 1 22 TRP HD1 2 20 TRP QB 4.400 2.600 4.900 4.458 4.458 4.458 . 0 0 "[ ]" 1
235 1 22 TRP HD1 2 24 TRP HA 4.250 2.450 5.000 5.124 5.124 5.124 0.124 1 0 "[ ]" 1
236 1 22 TRP HE1 2 20 TRP QB 5.150 3.350 5.900 4.111 4.111 4.111 . 0 0 "[ ]" 1
237 1 22 TRP HE3 2 20 TRP H 3.500 . 4.000 2.981 2.981 2.981 . 0 0 "[ ]" 1
238 1 22 TRP HE3 2 20 TRP QB 4.400 2.600 4.900 2.977 2.977 2.977 . 0 0 "[ ]" 1
239 1 24 TRP H 1 24 TRP HB2 3.500 . 4.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
240 1 24 TRP H 1 24 TRP HB3 3.250 . 4.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
241 1 24 TRP H 2 22 TRP H 4.250 2.450 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
242 1 24 TRP HA 1 24 TRP HD1 4.250 2.450 5.000 4.153 4.153 4.153 . 0 0 "[ ]" 1
243 1 24 TRP HA 1 24 TRP HE3 3.500 . 4.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
244 1 24 TRP HA 2 22 TRP H 3.500 . 4.000 2.180 2.180 2.180 . 0 0 "[ ]" 1
245 1 24 TRP HA 2 22 TRP HB3 3.500 . 4.000 2.965 2.965 2.965 . 0 0 "[ ]" 1
246 1 24 TRP HA 2 22 TRP HD1 4.250 2.450 5.000 5.089 5.089 5.089 0.089 1 0 "[ ]" 1
247 1 24 TRP HB2 1 24 TRP HD1 3.500 . 4.000 2.804 2.804 2.804 . 0 0 "[ ]" 1
248 1 24 TRP HB2 1 24 TRP HE3 3.500 . 4.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
249 1 24 TRP HB3 1 24 TRP HD1 3.500 . 4.000 3.864 3.864 3.864 . 0 0 "[ ]" 1
250 1 24 TRP HB3 1 24 TRP HE3 3.500 . 4.000 2.454 2.454 2.454 . 0 0 "[ ]" 1
251 1 24 TRP HD1 2 22 TRP H 4.250 2.450 5.000 5.163 5.163 5.163 0.163 1 0 "[ ]" 1
252 1 24 TRP HE3 2 22 TRP H 4.500 2.700 5.000 4.401 4.401 4.401 . 0 0 "[ ]" 1
253 1 24 TRP HE3 2 22 TRP HB2 3.500 . 4.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
254 1 24 TRP HE3 2 22 TRP HB3 3.500 . 4.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
255 2 2 TRP H 2 2 TRP HB2 3.500 . 4.000 3.218 3.218 3.218 . 0 0 "[ ]" 1
256 2 2 TRP H 2 2 TRP HB3 3.250 . 4.000 4.013 4.013 4.013 0.013 1 0 "[ ]" 1
257 2 2 TRP HA 2 2 TRP HD1 4.250 2.450 5.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
258 2 2 TRP HA 2 2 TRP HE3 3.500 . 4.000 3.665 3.665 3.665 . 0 0 "[ ]" 1
259 2 2 TRP HB2 2 2 TRP HD1 3.500 . 4.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
260 2 2 TRP HB2 2 2 TRP HE3 3.500 . 4.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
261 2 2 TRP HB3 2 2 TRP HD1 3.500 . 4.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
262 2 2 TRP HB3 2 2 TRP HE3 3.500 . 4.000 2.429 2.429 2.429 . 0 0 "[ ]" 1
263 2 4 TRP H 2 4 TRP HB2 3.500 . 4.000 3.127 3.127 3.127 . 0 0 "[ ]" 1
264 2 4 TRP H 2 4 TRP HB3 3.500 . 4.000 3.254 3.254 3.254 . 0 0 "[ ]" 1
265 2 4 TRP HA 2 4 TRP HB2 2.000 . 2.750 2.637 2.637 2.637 . 0 0 "[ ]" 1
266 2 4 TRP HA 2 4 TRP HD1 3.500 . 4.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
267 2 4 TRP HA 2 4 TRP HE3 3.500 . 4.000 3.110 3.110 3.110 . 0 0 "[ ]" 1
268 2 4 TRP HB2 2 4 TRP HD1 3.500 . 4.000 3.801 3.801 3.801 . 0 0 "[ ]" 1
269 2 4 TRP HB2 2 4 TRP HE3 3.500 . 4.000 2.537 2.537 2.537 . 0 0 "[ ]" 1
270 2 4 TRP HB3 2 4 TRP HD1 3.500 . 4.000 2.663 2.663 2.663 . 0 0 "[ ]" 1
271 2 4 TRP HB3 2 4 TRP HE3 3.500 . 4.000 4.050 4.050 4.050 0.050 1 0 "[ ]" 1
272 2 6 TRP H 2 6 TRP QB 4.400 2.600 4.900 2.892 2.892 2.892 . 0 0 "[ ]" 1
273 2 6 TRP H 2 6 TRP HD1 4.250 2.450 5.000 5.084 5.084 5.084 0.084 1 0 "[ ]" 1
274 2 6 TRP HA 2 6 TRP HD1 3.500 . 4.000 3.170 3.170 3.170 . 0 0 "[ ]" 1
275 2 6 TRP HA 2 6 TRP HE3 3.500 2.700 4.000 4.045 4.045 4.045 0.045 1 0 "[ ]" 1
276 2 6 TRP QB 2 6 TRP HD1 4.150 2.350 4.900 2.782 2.782 2.782 . 0 0 "[ ]" 1
277 2 6 TRP QB 2 6 TRP HE3 4.400 2.600 4.900 2.416 2.416 2.416 0.184 1 0 "[ ]" 1
278 2 8 TRP H 2 8 TRP HB2 3.500 . 4.000 2.442 2.442 2.442 . 0 0 "[ ]" 1
279 2 8 TRP H 2 8 TRP HB3 3.500 . 4.000 2.485 2.485 2.485 . 0 0 "[ ]" 1
280 2 8 TRP H 2 8 TRP HD1 4.250 2.450 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
281 2 8 TRP H 2 8 TRP HE3 4.250 2.450 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
282 2 8 TRP HA 2 8 TRP HD1 4.500 2.700 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 1
283 2 8 TRP HA 2 8 TRP HE3 3.500 . 4.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
284 2 8 TRP HA 2 8 TRP HZ3 4.250 2.450 5.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
285 2 8 TRP HB2 2 8 TRP HD1 3.500 . 4.000 3.734 3.734 3.734 . 0 0 "[ ]" 1
286 2 8 TRP HB2 2 8 TRP HE3 3.250 . 4.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
287 2 8 TRP HB3 2 8 TRP HD1 3.500 . 4.000 2.609 2.609 2.609 . 0 0 "[ ]" 1
288 2 8 TRP HB3 2 8 TRP HE3 3.500 . 4.000 4.101 4.101 4.101 0.101 1 0 "[ ]" 1
289 2 10 VAL H 2 10 VAL HB 3.500 . 4.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
290 2 10 VAL H 2 10 VAL QG 5.000 3.200 5.500 3.172 3.172 3.172 0.028 1 0 "[ ]" 1
291 2 10 VAL HB 2 10 VAL QG 4.750 . 5.500 1.875 1.875 1.875 0.075 1 0 "[ ]" 1
292 2 12 ALA H 2 12 ALA MB 4.750 2.950 5.500 2.647 2.647 2.647 0.303 1 0 "[ ]" 1
293 2 12 ALA H 2 13 SIN H21 2.000 . 2.750 2.783 2.783 2.783 0.033 1 0 "[ ]" 1
294 2 12 ALA H 2 13 SIN H22 3.250 . 4.000 2.302 2.302 2.302 . 0 0 "[ ]" 1
295 2 12 ALA HA 2 13 SIN H21 4.500 2.700 5.000 4.415 4.415 4.415 . 0 0 "[ ]" 1
296 2 12 ALA HA 2 13 SIN H22 4.250 2.450 5.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
297 2 12 ALA MB 2 13 SIN H21 6.000 4.200 6.500 4.511 4.511 4.511 . 0 0 "[ ]" 1
298 2 12 ALA MB 2 13 SIN H22 5.750 3.950 6.500 3.760 3.760 3.760 0.190 1 0 "[ ]" 1
299 2 13 SIN H21 2 13 SIN H22 2.000 . 2.750 1.743 1.743 1.743 . 0 0 "[ ]" 1
300 2 13 SIN H31 2 13 SIN H32 2.000 . 2.750 1.745 1.745 1.745 . 0 0 "[ ]" 1
301 2 13 SIN H31 2 14 ALA H 2.000 . 2.750 2.221 2.221 2.221 . 0 0 "[ ]" 1
302 2 13 SIN H31 2 14 ALA HA 4.500 2.700 5.000 4.380 4.380 4.380 . 0 0 "[ ]" 1
303 2 13 SIN H31 2 14 ALA MB 6.000 4.200 6.500 4.146 4.146 4.146 0.054 1 0 "[ ]" 1
304 2 13 SIN H32 2 14 ALA H 3.250 . 4.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
305 2 13 SIN H32 2 14 ALA HA 4.250 2.450 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
306 2 13 SIN H32 2 14 ALA MB 5.750 3.950 6.500 3.830 3.830 3.830 0.120 1 0 "[ ]" 1
307 2 14 ALA H 2 14 ALA MB 4.750 2.950 5.500 2.638 2.638 2.638 0.312 1 0 "[ ]" 1
308 2 16 VAL H 2 16 VAL HB 3.500 . 4.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
309 2 16 VAL H 2 16 VAL QG 5.000 3.200 5.500 3.182 3.182 3.182 0.018 1 0 "[ ]" 1
310 2 16 VAL HB 2 16 VAL QG 4.750 . 5.500 1.874 1.874 1.874 0.076 1 0 "[ ]" 1
311 2 18 TRP H 2 18 TRP HB2 3.500 . 4.000 2.425 2.425 2.425 . 0 0 "[ ]" 1
312 2 18 TRP H 2 18 TRP HB3 3.500 . 4.000 2.499 2.499 2.499 . 0 0 "[ ]" 1
313 2 18 TRP H 2 18 TRP HD1 4.250 2.450 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
314 2 18 TRP H 2 18 TRP HE3 4.250 2.450 5.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
315 2 18 TRP HA 2 18 TRP HD1 4.500 2.700 5.000 4.324 4.324 4.324 . 0 0 "[ ]" 1
316 2 18 TRP HA 2 18 TRP HE3 3.500 . 4.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
317 2 18 TRP HA 2 18 TRP HZ3 4.250 2.450 5.000 4.687 4.687 4.687 . 0 0 "[ ]" 1
318 2 18 TRP HB2 2 18 TRP HD1 3.500 . 4.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
319 2 18 TRP HB2 2 18 TRP HE3 3.250 . 4.000 2.718 2.718 2.718 . 0 0 "[ ]" 1
320 2 18 TRP HB3 2 18 TRP HD1 3.500 . 4.000 2.598 2.598 2.598 . 0 0 "[ ]" 1
321 2 18 TRP HB3 2 18 TRP HE3 3.500 . 4.000 4.106 4.106 4.106 0.106 1 0 "[ ]" 1
322 2 20 TRP H 2 20 TRP QB 4.400 2.600 4.900 2.855 2.855 2.855 . 0 0 "[ ]" 1
323 2 20 TRP H 2 20 TRP HD1 4.250 2.450 5.000 5.071 5.071 5.071 0.071 1 0 "[ ]" 1
324 2 20 TRP HA 2 20 TRP HD1 3.500 . 4.000 3.138 3.138 3.138 . 0 0 "[ ]" 1
325 2 20 TRP HA 2 20 TRP HE3 3.500 2.700 4.000 4.069 4.069 4.069 0.069 1 0 "[ ]" 1
326 2 20 TRP QB 2 20 TRP HD1 4.150 2.350 4.900 2.788 2.788 2.788 . 0 0 "[ ]" 1
327 2 20 TRP QB 2 20 TRP HE3 4.400 2.600 4.900 2.419 2.419 2.419 0.181 1 0 "[ ]" 1
328 2 22 TRP H 2 22 TRP HB2 3.500 . 4.000 3.166 3.166 3.166 . 0 0 "[ ]" 1
329 2 22 TRP H 2 22 TRP HB3 3.500 . 4.000 3.265 3.265 3.265 . 0 0 "[ ]" 1
330 2 22 TRP HA 2 22 TRP HB2 2.000 . 2.750 2.631 2.631 2.631 . 0 0 "[ ]" 1
331 2 22 TRP HA 2 22 TRP HD1 3.500 . 4.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
332 2 22 TRP HA 2 22 TRP HE3 3.500 . 4.000 3.081 3.081 3.081 . 0 0 "[ ]" 1
333 2 22 TRP HB2 2 22 TRP HD1 3.500 . 4.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
334 2 22 TRP HB2 2 22 TRP HE3 3.500 . 4.000 2.539 2.539 2.539 . 0 0 "[ ]" 1
335 2 22 TRP HB3 2 22 TRP HD1 3.500 . 4.000 2.641 2.641 2.641 . 0 0 "[ ]" 1
336 2 22 TRP HB3 2 22 TRP HE3 3.500 . 4.000 4.051 4.051 4.051 0.051 1 0 "[ ]" 1
337 2 24 TRP H 2 24 TRP HB2 3.500 . 4.000 2.766 2.766 2.766 . 0 0 "[ ]" 1
338 2 24 TRP H 2 24 TRP HB3 3.250 . 4.000 3.664 3.664 3.664 . 0 0 "[ ]" 1
339 2 24 TRP HA 2 24 TRP HD1 4.250 2.450 5.000 4.123 4.123 4.123 . 0 0 "[ ]" 1
340 2 24 TRP HA 2 24 TRP HE3 3.500 . 4.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
341 2 24 TRP HB2 2 24 TRP HD1 3.500 . 4.000 2.816 2.816 2.816 . 0 0 "[ ]" 1
342 2 24 TRP HB2 2 24 TRP HE3 3.500 . 4.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
343 2 24 TRP HB3 2 24 TRP HD1 3.500 . 4.000 3.873 3.873 3.873 . 0 0 "[ ]" 1
344 2 24 TRP HB3 2 24 TRP HE3 3.500 . 4.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
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