NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452195 |
2rqk   |
11076 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqk
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 446
_Distance_constraint_stats_list.Viol_count 552
_Distance_constraint_stats_list.Viol_total 589.473
_Distance_constraint_stats_list.Viol_max 0.358
_Distance_constraint_stats_list.Viol_rms 0.0172
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0534
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ILE 1.319 0.195 8 0 "[ . 1 . 2]"
1 4 ARG 0.052 0.052 17 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 TYR 0.300 0.062 11 0 "[ . 1 . 2]"
1 7 ASN 0.079 0.052 17 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.357 0.217 20 0 "[ . 1 . 2]"
1 11 MET 1.452 0.217 20 0 "[ . 1 . 2]"
1 12 ALA 0.160 0.094 14 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.064 0.043 19 0 "[ . 1 . 2]"
1 15 LEU 0.289 0.071 11 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TRP 0.398 0.089 2 0 "[ . 1 . 2]"
1 20 LYS 0.015 0.015 18 0 "[ . 1 . 2]"
1 21 ASP 0.963 0.193 20 0 "[ . 1 . 2]"
1 22 ASP 1.592 0.180 1 0 "[ . 1 . 2]"
1 23 ASP 0.132 0.047 18 0 "[ . 1 . 2]"
1 24 ILE 0.132 0.047 18 0 "[ . 1 . 2]"
1 25 GLU 0.915 0.124 20 0 "[ . 1 . 2]"
1 26 GLU 0.915 0.124 20 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.424 0.146 15 0 "[ . 1 . 2]"
1 63 MET 1.234 0.157 20 0 "[ . 1 . 2]"
1 64 MET 0.504 0.069 14 0 "[ . 1 . 2]"
1 65 PHE 0.026 0.026 12 0 "[ . 1 . 2]"
1 66 VAL 0.002 0.002 7 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 1.062 0.072 10 0 "[ . 1 . 2]"
1 70 GLY 1.062 0.072 10 0 "[ . 1 . 2]"
1 71 ASN 1.183 0.153 4 0 "[ . 1 . 2]"
1 72 PRO 1.395 0.195 8 0 "[ . 1 . 2]"
1 73 THR 4.500 0.358 4 0 "[ . 1 . 2]"
1 74 GLU 0.329 0.085 2 0 "[ . 1 . 2]"
1 75 LYS 2.391 0.263 6 0 "[ . 1 . 2]"
1 76 GLU 1.648 0.358 4 0 "[ . 1 . 2]"
1 77 THR 0.587 0.087 1 0 "[ . 1 . 2]"
1 78 GLU 0.179 0.041 1 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.198 0.072 3 0 "[ . 1 . 2]"
1 81 THR 0.974 0.099 3 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 1.348 0.155 1 0 "[ . 1 . 2]"
1 84 TRP 1.472 0.241 1 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.480 0.092 11 0 "[ . 1 . 2]"
1 87 SER 0.020 0.020 9 0 "[ . 1 . 2]"
1 88 LEU 2.193 0.107 10 0 "[ . 1 . 2]"
1 89 PHE 0.240 0.059 3 0 "[ . 1 . 2]"
1 90 ASN 1.038 0.105 9 0 "[ . 1 . 2]"
1 91 ALA 0.085 0.057 20 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 TYR 0.939 0.105 9 0 "[ . 1 . 2]"
1 94 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 VAL 1.026 0.110 10 0 "[ . 1 . 2]"
1 96 GLN 0.231 0.089 2 0 "[ . 1 . 2]"
1 97 ARG 0.190 0.056 8 0 "[ . 1 . 2]"
1 98 PHE 0.188 0.056 8 0 "[ . 1 . 2]"
1 99 ILE 0.424 0.057 4 0 "[ . 1 . 2]"
1 100 VAL 0.023 0.014 10 0 "[ . 1 . 2]"
1 101 GLY 0.191 0.057 4 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ARG 0.057 0.037 1 0 "[ . 1 . 2]"
1 105 ALA 1.438 0.099 3 0 "[ . 1 . 2]"
1 106 ILE 1.261 0.088 18 0 "[ . 1 . 2]"
1 107 PHE 2.482 0.157 20 0 "[ . 1 . 2]"
1 108 MET 0.213 0.043 19 0 "[ . 1 . 2]"
1 109 LEU 0.415 0.146 15 0 "[ . 1 . 2]"
1 110 ARG 3.553 0.193 20 0 "[ . 1 . 2]"
1 111 ASP 0.586 0.170 12 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 TYR 0.009 0.009 6 0 "[ . 1 . 2]"
1 115 ALA 0.744 0.094 12 0 "[ . 1 . 2]"
1 116 TRP 1.899 0.094 12 0 "[ . 1 . 2]"
1 117 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ILE 1.646 0.309 9 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 PHE 0.823 0.084 14 0 "[ . 1 . 2]"
1 122 LEU 2.033 0.309 9 0 "[ . 1 . 2]"
1 123 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 SER 0.022 0.022 8 0 "[ . 1 . 2]"
1 125 GLN 2.380 0.241 1 0 "[ . 1 . 2]"
1 126 ASP 0.198 0.124 18 0 "[ . 1 . 2]"
1 127 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 THR 0.182 0.060 14 0 "[ . 1 . 2]"
1 133 LEU 0.374 0.066 11 0 "[ . 1 . 2]"
1 134 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 MET 0.417 0.059 15 0 "[ . 1 . 2]"
1 138 TYR 0.078 0.057 7 0 "[ . 1 . 2]"
1 139 PRO 0.691 0.142 2 0 "[ . 1 . 2]"
1 140 GLY 0.530 0.142 2 0 "[ . 1 . 2]"
1 141 LYS 0.000 0.000 . 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 89 PHE QD 1 107 PHE QE 3.000 . 6.000 5.347 4.320 6.026 0.026 2 0 "[ . 1 . 2]" 1
2 1 88 LEU MD2 1 89 PHE QD 3.000 . 6.500 4.854 4.197 5.606 . 0 0 "[ . 1 . 2]" 1
3 1 77 THR HG1 1 99 ILE MD 3.000 . 6.500 3.948 3.253 5.326 . 0 0 "[ . 1 . 2]" 1
4 1 99 ILE MD 1 105 ALA MB 3.000 . 5.500 4.218 3.566 4.707 . 0 0 "[ . 1 . 2]" 1
5 1 100 VAL MG1 1 106 ILE MD 3.000 . 6.000 4.204 3.399 4.978 . 0 0 "[ . 1 . 2]" 1
6 1 100 VAL MG1 1 106 ILE QG 3.000 . 6.000 5.270 4.428 6.014 0.014 10 0 "[ . 1 . 2]" 1
7 1 116 TRP HH2 1 138 TYR QE 3.000 . 6.000 4.900 3.187 6.016 0.016 5 0 "[ . 1 . 2]" 1
8 1 116 TRP HH2 1 138 TYR QD 3.000 . 6.000 4.126 2.170 5.874 . 0 0 "[ . 1 . 2]" 1
9 1 64 MET ME 1 118 ILE HB 3.000 . 6.000 4.876 3.427 5.816 . 0 0 "[ . 1 . 2]" 1
10 1 88 LEU MD1 1 118 ILE MD 3.000 . 6.000 3.290 2.005 4.846 . 0 0 "[ . 1 . 2]" 1
11 1 88 LEU MD2 1 118 ILE QG 3.000 . 6.000 2.048 1.798 2.289 0.002 10 0 "[ . 1 . 2]" 1
12 1 121 PHE QE 1 122 LEU MD1 3.000 . 6.000 5.888 5.036 6.049 0.049 11 0 "[ . 1 . 2]" 1
13 1 3 ILE HA 1 6 TYR H 2.000 . 5.000 3.856 3.296 4.874 . 0 0 "[ . 1 . 2]" 1
14 1 4 ARG HA 1 5 ASP H 2.000 . 4.000 3.503 3.385 3.564 . 0 0 "[ . 1 . 2]" 1
15 1 4 ARG QB 1 5 ASP H 2.000 . 4.000 2.776 2.306 3.464 . 0 0 "[ . 1 . 2]" 1
16 1 5 ASP HA 1 6 TYR H 2.000 . 4.000 3.555 3.542 3.573 . 0 0 "[ . 1 . 2]" 1
17 1 5 ASP H 1 6 TYR H 2.000 . 4.000 2.809 2.726 2.889 . 0 0 "[ . 1 . 2]" 1
18 1 7 ASN HA 1 8 ASP H 2.000 . 4.000 3.558 3.544 3.581 . 0 0 "[ . 1 . 2]" 1
19 1 10 ASP HA 1 13 ARG H 2.000 . 5.000 3.735 3.114 4.315 . 0 0 "[ . 1 . 2]" 1
20 1 10 ASP QB 1 11 MET H 2.000 . 4.000 2.578 2.205 2.961 . 0 0 "[ . 1 . 2]" 1
21 1 11 MET ME 1 12 ALA H 2.000 . 6.000 5.010 4.758 6.094 0.094 14 0 "[ . 1 . 2]" 1
22 1 12 ALA H 1 14 LEU H 2.000 . 5.000 4.080 3.749 4.652 . 0 0 "[ . 1 . 2]" 1
23 1 13 ARG H 1 14 LEU H 2.000 . 4.000 2.637 2.460 2.983 . 0 0 "[ . 1 . 2]" 1
24 1 13 ARG QB 1 14 LEU H 2.000 . 4.000 2.882 2.205 3.361 . 0 0 "[ . 1 . 2]" 1
25 1 14 LEU HA 1 15 LEU H 2.000 . 4.000 3.557 3.454 3.598 . 0 0 "[ . 1 . 2]" 1
26 1 20 LYS QB 1 21 ASP H 2.000 . 4.000 2.661 2.331 2.951 . 0 0 "[ . 1 . 2]" 1
27 1 21 ASP HA 1 22 ASP H 2.000 . 4.000 3.561 3.513 3.598 . 0 0 "[ . 1 . 2]" 1
28 1 22 ASP HA 1 25 GLU H 2.000 . 5.000 3.358 2.890 3.714 . 0 0 "[ . 1 . 2]" 1
29 1 23 ASP H 1 24 ILE HG13 2.000 . 4.500 4.464 4.281 4.547 0.047 18 0 "[ . 1 . 2]" 1
30 1 63 MET H 1 134 GLU H 2.000 . 6.000 3.382 2.536 4.273 . 0 0 "[ . 1 . 2]" 1
31 1 66 VAL MG1 1 122 LEU H 2.000 . 6.500 5.736 5.339 6.377 . 0 0 "[ . 1 . 2]" 1
32 1 68 VAL QG 1 69 SER H 2.000 . 4.000 2.912 1.979 3.158 . 0 0 "[ . 1 . 2]" 1
33 1 71 ASN HD21 1 73 THR HB 2.000 . 4.000 3.140 1.916 4.064 0.064 9 0 "[ . 1 . 2]" 1
34 1 71 ASN HD22 1 73 THR HB 2.000 . 4.000 3.245 1.901 4.153 0.153 4 0 "[ . 1 . 2]" 1
35 1 73 THR HB 1 75 LYS H 2.000 . 4.000 3.329 2.620 4.024 0.024 1 0 "[ . 1 . 2]" 1
36 1 74 GLU HB2 1 75 LYS H 2.000 . 4.000 3.283 2.553 4.064 0.064 6 0 "[ . 1 . 2]" 1
37 1 75 LYS HB3 1 76 GLU H 2.000 . 4.000 3.535 3.143 4.126 0.126 3 0 "[ . 1 . 2]" 1
38 1 81 THR HA 1 84 TRP H 2.000 . 4.000 3.226 2.996 3.764 . 0 0 "[ . 1 . 2]" 1
39 1 83 LEU QD 1 84 TRP H 2.000 . 5.500 3.993 3.806 4.106 . 0 0 "[ . 1 . 2]" 1
40 1 87 SER H 1 88 LEU H 2.000 . 4.000 2.671 2.478 2.923 . 0 0 "[ . 1 . 2]" 1
41 1 90 ASN HA 1 91 ALA H 2.000 . 4.000 3.492 3.431 3.557 . 0 0 "[ . 1 . 2]" 1
42 1 92 ASN HA 1 93 TYR H 2.000 . 4.000 2.696 2.254 3.185 . 0 0 "[ . 1 . 2]" 1
43 1 90 ASN H 1 93 TYR H 2.000 . 5.000 4.888 4.580 5.105 0.105 9 0 "[ . 1 . 2]" 1
44 1 92 ASN H 1 93 TYR H 2.000 . 4.000 2.797 2.519 3.287 . 0 0 "[ . 1 . 2]" 1
45 1 96 GLN QB 1 97 ARG H 2.000 . 4.000 3.646 2.603 3.931 . 0 0 "[ . 1 . 2]" 1
46 1 97 ARG HA 1 108 MET H 2.000 . 5.000 3.335 2.681 3.812 . 0 0 "[ . 1 . 2]" 1
47 1 97 ARG H 1 98 PHE QD 2.000 . 5.000 4.583 3.394 5.056 0.056 8 0 "[ . 1 . 2]" 1
48 1 99 ILE QG 1 100 VAL H 2.000 . 5.000 3.526 3.197 3.591 . 0 0 "[ . 1 . 2]" 1
49 1 103 ASP HA 1 104 ARG H 2.000 . 4.000 3.415 3.133 3.583 . 0 0 "[ . 1 . 2]" 1
50 1 109 LEU QB 1 111 ASP H 2.000 . 4.000 3.011 1.916 4.012 0.012 9 0 "[ . 1 . 2]" 1
51 1 110 ARG H 1 111 ASP HA 2.000 . 5.000 4.965 4.643 5.170 0.170 12 0 "[ . 1 . 2]" 1
52 1 131 VAL HA 1 132 THR H 2.000 . 4.000 2.182 2.133 2.247 . 0 0 "[ . 1 . 2]" 1
53 1 131 VAL QG 1 132 THR H 2.000 . 4.000 2.560 2.148 3.087 . 0 0 "[ . 1 . 2]" 1
54 1 132 THR H 1 133 LEU HA 2.000 . 5.000 4.786 4.633 5.060 0.060 14 0 "[ . 1 . 2]" 1
55 1 1 GLY QA 1 2 ASP H 3.000 . 5.000 2.273 2.123 2.505 . 0 0 "[ . 1 . 2]" 1
56 1 2 ASP HA 1 3 ILE H 3.000 . 5.000 2.690 2.109 3.561 . 0 0 "[ . 1 . 2]" 1
57 1 3 ILE H 1 4 ARG H 3.000 . 5.000 2.661 1.975 4.178 . 0 0 "[ . 1 . 2]" 1
58 1 3 ILE QG 1 4 ARG H 3.000 . 5.000 4.244 3.500 4.536 . 0 0 "[ . 1 . 2]" 1
59 1 4 ARG H 1 5 ASP H 3.000 . 5.000 2.690 2.083 2.875 . 0 0 "[ . 1 . 2]" 1
60 1 6 TYR HA 1 7 ASN H 3.000 . 5.000 3.534 3.513 3.558 . 0 0 "[ . 1 . 2]" 1
61 1 6 TYR H 1 7 ASN H 3.000 . 5.000 2.686 2.524 2.789 . 0 0 "[ . 1 . 2]" 1
62 1 9 ALA HA 1 10 ASP H 3.000 . 5.000 3.588 3.561 3.618 . 0 0 "[ . 1 . 2]" 1
63 1 9 ALA MB 1 10 ASP H 3.000 . 5.000 2.256 2.048 2.490 . 0 0 "[ . 1 . 2]" 1
64 1 11 MET HA 1 12 ALA H 3.000 . 5.000 3.580 3.557 3.611 . 0 0 "[ . 1 . 2]" 1
65 1 11 MET H 1 13 ARG H 3.000 . 6.000 4.191 3.826 4.432 . 0 0 "[ . 1 . 2]" 1
66 1 12 ALA HA 1 13 ARG H 3.000 . 5.000 3.545 3.511 3.578 . 0 0 "[ . 1 . 2]" 1
67 1 12 ALA MB 1 13 ARG H 3.000 . 5.000 2.452 2.323 2.656 . 0 0 "[ . 1 . 2]" 1
68 1 12 ALA H 1 13 ARG H 3.000 . 5.000 2.698 2.535 2.829 . 0 0 "[ . 1 . 2]" 1
69 1 13 ARG H 1 15 LEU H 3.000 . 6.000 4.325 3.983 4.510 . 0 0 "[ . 1 . 2]" 1
70 1 15 LEU HA 1 16 GLU H 3.000 . 5.000 3.438 3.354 3.507 . 0 0 "[ . 1 . 2]" 1
71 1 21 ASP HA 1 24 ILE H 3.000 . 5.000 3.342 3.053 3.569 . 0 0 "[ . 1 . 2]" 1
72 1 20 LYS H 1 21 ASP H 3.000 . 5.000 2.773 2.648 2.950 . 0 0 "[ . 1 . 2]" 1
73 1 23 ASP HA 1 27 GLY H 3.000 . 6.000 4.629 3.917 5.124 . 0 0 "[ . 1 . 2]" 1
74 1 24 ILE HA 1 25 GLU H 3.000 . 5.000 3.527 3.506 3.551 . 0 0 "[ . 1 . 2]" 1
75 1 24 ILE H 1 25 GLU H 3.000 . 5.000 2.631 2.478 2.742 . 0 0 "[ . 1 . 2]" 1
76 1 25 GLU HA 1 26 GLU H 3.000 . 5.000 3.518 3.449 3.556 . 0 0 "[ . 1 . 2]" 1
77 1 25 GLU HB2 1 26 GLU H 3.000 . 5.000 3.168 2.619 4.159 . 0 0 "[ . 1 . 2]" 1
78 1 25 GLU HG3 1 26 GLU H 3.000 . 5.000 4.864 4.064 5.124 0.124 20 0 "[ . 1 . 2]" 1
79 1 26 GLU HA 1 27 GLY H 3.000 . 5.000 3.397 3.250 3.488 . 0 0 "[ . 1 . 2]" 1
80 1 26 GLU HB3 1 27 GLY H 3.000 . 5.000 3.390 2.860 4.007 . 0 0 "[ . 1 . 2]" 1
81 1 27 GLY QA 1 28 ASP H 3.000 . 5.000 2.817 2.634 2.922 . 0 0 "[ . 1 . 2]" 1
82 1 28 ASP HA 1 29 LEU H 3.000 . 5.000 2.214 2.137 2.393 . 0 0 "[ . 1 . 2]" 1
83 1 63 MET HB2 1 107 PHE H 3.000 . 6.000 5.869 5.067 6.157 0.157 20 0 "[ . 1 . 2]" 1
84 1 65 PHE QB 1 66 VAL H 3.000 . 5.000 3.411 3.070 3.717 . 0 0 "[ . 1 . 2]" 1
85 1 65 PHE QD 1 107 PHE H 3.000 . 6.000 5.040 4.041 5.699 . 0 0 "[ . 1 . 2]" 1
86 1 66 VAL H 1 105 ALA H 3.000 . 5.000 3.318 2.935 3.659 . 0 0 "[ . 1 . 2]" 1
87 1 66 VAL MG1 1 67 THR H 3.000 . 5.000 3.164 2.280 3.393 . 0 0 "[ . 1 . 2]" 1
88 1 66 VAL QG 1 67 THR H 3.000 . 5.000 3.080 2.268 3.280 . 0 0 "[ . 1 . 2]" 1
89 1 67 THR HA 1 68 VAL H 3.000 . 5.000 2.168 2.123 2.204 . 0 0 "[ . 1 . 2]" 1
90 1 68 VAL HA 1 69 SER H 3.000 . 5.000 3.559 3.521 3.575 . 0 0 "[ . 1 . 2]" 1
91 1 69 SER HA 1 70 GLY H 2.000 . 3.500 3.553 3.501 3.572 0.072 10 0 "[ . 1 . 2]" 1
92 1 70 GLY QA 1 71 ASN H 3.000 . 5.000 2.873 2.787 2.911 . 0 0 "[ . 1 . 2]" 1
93 1 72 PRO HA 1 73 THR H 3.000 . 5.000 3.484 3.461 3.505 . 0 0 "[ . 1 . 2]" 1
94 1 71 ASN HD22 1 72 PRO HD3 3.000 . 6.000 5.207 4.443 6.064 0.064 1 0 "[ . 1 . 2]" 1
95 1 73 THR HA 1 74 GLU H 3.000 . 5.000 2.210 2.082 2.578 . 0 0 "[ . 1 . 2]" 1
96 1 73 THR HB 1 74 GLU H 3.000 . 5.000 3.732 2.021 4.443 . 0 0 "[ . 1 . 2]" 1
97 1 73 THR HG1 1 74 GLU H 3.000 . 5.000 4.627 3.746 5.085 0.085 2 0 "[ . 1 . 2]" 1
98 1 74 GLU H 1 75 LYS H 3.000 . 5.000 2.727 1.988 3.121 . 0 0 "[ . 1 . 2]" 1
99 1 75 LYS H 1 76 GLU H 3.000 . 5.000 2.911 2.675 3.239 . 0 0 "[ . 1 . 2]" 1
100 1 76 GLU H 1 77 THR H 3.000 . 5.000 2.878 2.650 3.114 . 0 0 "[ . 1 . 2]" 1
101 1 77 THR HA 1 78 GLU H 3.000 . 5.000 3.535 3.503 3.584 . 0 0 "[ . 1 . 2]" 1
102 1 77 THR HB 1 78 GLU H 3.000 . 5.000 3.555 2.687 4.047 . 0 0 "[ . 1 . 2]" 1
103 1 77 THR HG1 1 78 GLU H 3.000 . 5.000 4.934 4.740 5.041 0.041 1 0 "[ . 1 . 2]" 1
104 1 77 THR HG1 1 104 ARG H 3.000 . 5.000 4.005 2.527 5.037 0.037 1 0 "[ . 1 . 2]" 1
105 1 77 THR HG1 1 105 ALA H 3.000 . 5.000 4.801 4.336 5.087 0.087 1 0 "[ . 1 . 2]" 1
106 1 78 GLU HA 1 81 THR H 3.000 . 5.000 4.020 3.622 4.240 . 0 0 "[ . 1 . 2]" 1
107 1 78 GLU H 1 79 GLU H 3.000 . 5.000 2.830 2.699 2.959 . 0 0 "[ . 1 . 2]" 1
108 1 79 GLU H 1 80 ILE H 3.000 . 5.000 2.794 2.622 2.967 . 0 0 "[ . 1 . 2]" 1
109 1 80 ILE HG12 1 81 THR H 3.000 . 5.000 4.904 4.744 5.072 0.072 3 0 "[ . 1 . 2]" 1
110 1 80 ILE H 1 81 THR H 3.000 . 5.000 2.716 2.600 2.908 . 0 0 "[ . 1 . 2]" 1
111 1 81 THR HA 1 85 GLN H 3.000 . 5.000 3.920 3.546 4.196 . 0 0 "[ . 1 . 2]" 1
112 1 81 THR HG1 1 82 SER H 3.000 . 5.000 4.480 4.276 4.774 . 0 0 "[ . 1 . 2]" 1
113 1 82 SER HA 1 85 GLN H 3.000 . 5.000 3.457 3.230 3.832 . 0 0 "[ . 1 . 2]" 1
114 1 82 SER H 1 83 LEU H 3.000 . 5.000 2.687 2.518 2.806 . 0 0 "[ . 1 . 2]" 1
115 1 83 LEU H 1 84 TRP H 3.000 . 5.000 2.712 2.617 2.778 . 0 0 "[ . 1 . 2]" 1
116 1 84 TRP H 1 85 GLN H 3.000 . 5.000 2.736 2.584 2.921 . 0 0 "[ . 1 . 2]" 1
117 1 86 GLY HA3 1 87 SER H 3.000 . 5.000 2.938 2.493 3.156 . 0 0 "[ . 1 . 2]" 1
118 1 86 GLY H 1 87 SER H 3.000 . 5.000 2.862 2.447 3.161 . 0 0 "[ . 1 . 2]" 1
119 1 87 SER QB 1 88 LEU H 3.000 . 5.000 2.202 2.046 2.436 . 0 0 "[ . 1 . 2]" 1
120 1 87 SER QB 1 89 PHE H 3.000 . 5.000 4.609 4.379 4.889 . 0 0 "[ . 1 . 2]" 1
121 1 88 LEU MD2 1 122 LEU H 3.000 . 5.500 5.476 4.490 5.604 0.104 6 0 "[ . 1 . 2]" 1
122 1 89 PHE HB3 1 90 ASN H 3.000 . 5.000 4.009 3.672 4.326 . 0 0 "[ . 1 . 2]" 1
123 1 89 PHE HB2 1 90 ASN H 3.000 . 5.000 3.233 2.886 3.647 . 0 0 "[ . 1 . 2]" 1
124 1 88 LEU H 1 89 PHE H 3.000 . 5.000 2.774 2.568 2.921 . 0 0 "[ . 1 . 2]" 1
125 1 89 PHE H 1 90 ASN H 3.000 . 5.000 2.514 2.256 2.614 . 0 0 "[ . 1 . 2]" 1
126 1 89 PHE H 1 93 TYR H 3.000 . 5.500 4.711 4.084 5.134 . 0 0 "[ . 1 . 2]" 1
127 1 88 LEU H 1 90 ASN H 3.000 . 5.000 3.965 3.714 4.283 . 0 0 "[ . 1 . 2]" 1
128 1 90 ASN H 1 91 ALA H 3.000 . 5.000 2.382 2.033 2.574 . 0 0 "[ . 1 . 2]" 1
129 1 90 ASN QB 1 91 ALA H 3.000 . 5.000 2.743 2.379 3.001 . 0 0 "[ . 1 . 2]" 1
130 1 90 ASN QD 1 91 ALA H 3.000 . 5.000 4.586 4.292 5.057 0.057 20 0 "[ . 1 . 2]" 1
131 1 91 ALA HA 1 92 ASN H 3.000 . 5.000 3.221 3.111 3.374 . 0 0 "[ . 1 . 2]" 1
132 1 91 ALA H 1 92 ASN H 3.000 . 5.000 2.465 2.218 2.606 . 0 0 "[ . 1 . 2]" 1
133 1 91 ALA H 1 93 TYR H 3.000 . 5.000 4.042 3.419 4.822 . 0 0 "[ . 1 . 2]" 1
134 1 91 ALA MB 1 92 ASN H 3.000 . 5.000 3.300 3.011 3.479 . 0 0 "[ . 1 . 2]" 1
135 1 91 ALA MB 1 93 TYR H 3.000 . 5.000 3.696 3.004 4.618 . 0 0 "[ . 1 . 2]" 1
136 1 94 ASP HA 1 95 VAL H 3.000 . 5.000 2.436 2.166 3.086 . 0 0 "[ . 1 . 2]" 1
137 1 94 ASP H 1 95 VAL H 3.000 . 5.000 3.640 2.545 4.137 . 0 0 "[ . 1 . 2]" 1
138 1 95 VAL HA 1 96 GLN H 3.000 . 5.000 2.398 2.137 2.621 . 0 0 "[ . 1 . 2]" 1
139 1 94 ASP H 1 95 VAL QG 3.000 . 5.000 3.593 3.042 4.147 . 0 0 "[ . 1 . 2]" 1
140 1 96 GLN HE22 1 97 ARG H 3.000 . 6.000 4.933 4.139 6.003 0.003 9 0 "[ . 1 . 2]" 1
141 1 97 ARG HA 1 98 PHE H 3.000 . 5.000 2.179 2.117 2.351 . 0 0 "[ . 1 . 2]" 1
142 1 98 PHE HA 1 99 ILE H 3.000 . 5.000 2.181 2.108 2.321 . 0 0 "[ . 1 . 2]" 1
143 1 98 PHE HA 1 106 ILE H 3.000 . 6.000 5.099 4.979 5.178 . 0 0 "[ . 1 . 2]" 1
144 1 99 ILE QG 1 101 GLY H 3.000 . 5.500 4.820 4.512 5.235 . 0 0 "[ . 1 . 2]" 1
145 1 99 ILE QG 1 104 ARG H 3.000 . 6.300 5.577 4.597 6.320 0.020 11 0 "[ . 1 . 2]" 1
146 1 100 VAL HA 1 101 GLY H 3.000 . 5.500 2.228 2.163 2.311 . 0 0 "[ . 1 . 2]" 1
147 1 98 PHE H 1 100 VAL MG1 3.000 . 6.500 5.048 4.387 5.771 . 0 0 "[ . 1 . 2]" 1
148 1 100 VAL MG1 1 101 GLY H 3.000 . 5.500 3.937 3.759 4.128 . 0 0 "[ . 1 . 2]" 1
149 1 102 SER H 1 103 ASP H 3.000 . 5.000 2.972 2.776 3.241 . 0 0 "[ . 1 . 2]" 1
150 1 102 SER QB 1 103 ASP H 3.000 . 5.000 2.864 2.413 3.295 . 0 0 "[ . 1 . 2]" 1
151 1 103 ASP H 1 104 ARG H 3.000 . 5.000 2.592 2.006 2.964 . 0 0 "[ . 1 . 2]" 1
152 1 104 ARG HA 1 105 ALA H 3.000 . 5.000 2.178 2.123 2.287 . 0 0 "[ . 1 . 2]" 1
153 1 104 ARG QB 1 105 ALA H 3.000 . 5.000 3.098 2.406 3.867 . 0 0 "[ . 1 . 2]" 1
154 1 100 VAL H 1 105 ALA HA 3.000 . 5.500 3.415 2.854 4.074 . 0 0 "[ . 1 . 2]" 1
155 1 105 ALA HA 1 106 ILE H 3.000 . 6.000 2.284 2.190 2.445 . 0 0 "[ . 1 . 2]" 1
156 1 105 ALA MB 1 106 ILE H 3.000 . 6.000 2.940 2.567 3.207 . 0 0 "[ . 1 . 2]" 1
157 1 98 PHE H 1 106 ILE H 3.000 . 6.000 3.296 3.081 3.556 . 0 0 "[ . 1 . 2]" 1
158 1 106 ILE QG 1 107 PHE H 3.000 . 6.000 2.488 2.151 2.782 . 0 0 "[ . 1 . 2]" 1
159 1 106 ILE QG 1 108 MET H 3.000 . 6.000 4.023 3.395 4.636 . 0 0 "[ . 1 . 2]" 1
160 1 64 MET H 1 107 PHE H 3.000 . 5.000 3.197 2.841 3.501 . 0 0 "[ . 1 . 2]" 1
161 1 64 MET H 1 108 MET HA 3.000 . 5.000 3.410 2.994 4.003 . 0 0 "[ . 1 . 2]" 1
162 1 108 MET HA 1 109 LEU H 3.000 . 5.000 2.149 2.090 2.207 . 0 0 "[ . 1 . 2]" 1
163 1 111 ASP HA 1 113 SER H 3.000 . 6.000 4.290 3.621 5.947 . 0 0 "[ . 1 . 2]" 1
164 1 113 SER QB 1 114 TYR H 3.000 . 5.500 2.567 1.914 3.068 . 0 0 "[ . 1 . 2]" 1
165 1 114 TYR H 1 115 ALA H 3.000 . 5.500 2.756 2.350 3.232 . 0 0 "[ . 1 . 2]" 1
166 1 115 ALA H 1 116 TRP H 3.000 . 5.000 2.772 2.626 2.906 . 0 0 "[ . 1 . 2]" 1
167 1 115 ALA MB 1 116 TRP H 3.000 . 5.000 2.459 2.224 2.657 . 0 0 "[ . 1 . 2]" 1
168 1 116 TRP QB 1 117 GLU H 3.000 . 5.000 2.960 2.731 3.234 . 0 0 "[ . 1 . 2]" 1
169 1 118 ILE QG 1 122 LEU H 3.000 . 5.000 4.255 3.783 5.309 0.309 9 0 "[ . 1 . 2]" 1
170 1 119 LYS QB 1 120 ASP H 3.000 . 5.000 2.410 2.207 2.562 . 0 0 "[ . 1 . 2]" 1
171 1 120 ASP H 1 121 PHE H 3.000 . 5.000 2.694 2.569 2.783 . 0 0 "[ . 1 . 2]" 1
172 1 120 ASP QB 1 121 PHE H 3.000 . 5.000 2.688 2.489 2.961 . 0 0 "[ . 1 . 2]" 1
173 1 121 PHE HA 1 124 SER H 3.000 . 5.000 3.411 3.202 3.721 . 0 0 "[ . 1 . 2]" 1
174 1 121 PHE H 1 122 LEU H 3.000 . 5.000 2.629 2.505 2.813 . 0 0 "[ . 1 . 2]" 1
175 1 121 PHE QB 1 122 LEU H 3.000 . 5.000 2.559 2.305 2.759 . 0 0 "[ . 1 . 2]" 1
176 1 121 PHE QD 1 122 LEU H 3.000 . 5.000 3.424 2.963 3.701 . 0 0 "[ . 1 . 2]" 1
177 1 120 ASP H 1 122 LEU H 3.000 . 5.000 4.204 3.965 4.469 . 0 0 "[ . 1 . 2]" 1
178 1 123 VAL H 1 124 SER H 3.000 . 5.000 2.452 2.346 2.544 . 0 0 "[ . 1 . 2]" 1
179 1 120 ASP H 1 123 VAL QG 3.000 . 5.000 3.873 3.814 3.957 . 0 0 "[ . 1 . 2]" 1
180 1 123 VAL QG 1 124 SER H 3.000 . 5.000 2.640 2.377 2.846 . 0 0 "[ . 1 . 2]" 1
181 1 124 SER H 1 125 GLN H 3.000 . 5.000 2.751 2.518 3.020 . 0 0 "[ . 1 . 2]" 1
182 1 122 LEU H 1 124 SER QB 3.000 . 5.000 4.647 4.426 5.022 0.022 8 0 "[ . 1 . 2]" 1
183 1 125 GLN HA 1 126 ASP H 3.000 . 5.000 2.304 2.086 2.496 . 0 0 "[ . 1 . 2]" 1
184 1 125 GLN HG3 1 126 ASP H 3.000 . 5.000 3.915 1.890 5.124 0.124 18 0 "[ . 1 . 2]" 1
185 1 126 ASP HA 1 127 ARG H 3.000 . 5.000 3.532 3.135 3.589 . 0 0 "[ . 1 . 2]" 1
186 1 126 ASP QB 1 127 ARG H 3.000 . 5.000 2.495 2.044 3.626 . 0 0 "[ . 1 . 2]" 1
187 1 129 ALA H 1 130 GLU H 3.000 . 5.000 4.119 3.409 4.597 . 0 0 "[ . 1 . 2]" 1
188 1 67 THR H 1 130 GLU H 3.000 . 5.000 3.849 3.497 4.099 . 0 0 "[ . 1 . 2]" 1
189 1 65 PHE H 1 132 THR H 3.000 . 5.000 3.326 3.067 3.863 . 0 0 "[ . 1 . 2]" 1
190 1 139 PRO HA 1 140 GLY H 3.000 . 5.000 2.455 2.147 3.486 . 0 0 "[ . 1 . 2]" 1
191 1 139 PRO HB2 1 140 GLY H 3.000 . 5.000 3.624 2.349 4.324 . 0 0 "[ . 1 . 2]" 1
192 1 140 GLY HA3 1 141 LYS H 3.000 . 5.000 2.729 2.135 3.550 . 0 0 "[ . 1 . 2]" 1
193 1 2 ASP HB2 1 3 ILE H 4.000 . 6.000 3.739 2.261 4.476 . 0 0 "[ . 1 . 2]" 1
194 1 2 ASP H 1 3 ILE H 4.000 . 6.000 3.573 1.829 4.571 . 0 0 "[ . 1 . 2]" 1
195 1 2 ASP H 1 4 ARG H 4.000 . 6.000 4.543 2.386 5.516 . 0 0 "[ . 1 . 2]" 1
196 1 3 ILE HA 1 4 ARG H 4.000 . 6.000 3.035 2.201 3.544 . 0 0 "[ . 1 . 2]" 1
197 1 4 ARG H 1 7 ASN HD22 4.000 . 6.000 5.263 4.598 6.052 0.052 17 0 "[ . 1 . 2]" 1
198 1 4 ARG QG 1 5 ASP H 4.000 . 6.000 3.944 2.188 4.444 . 0 0 "[ . 1 . 2]" 1
199 1 6 TYR QD 1 7 ASN HD21 4.000 . 6.000 3.000 1.774 4.860 0.026 7 0 "[ . 1 . 2]" 1
200 1 12 ALA HA 1 14 LEU H 4.000 . 6.000 4.327 3.990 4.845 . 0 0 "[ . 1 . 2]" 1
201 1 12 ALA HA 1 15 LEU H 4.000 . 6.000 3.760 3.299 4.047 . 0 0 "[ . 1 . 2]" 1
202 1 13 ARG HA 1 15 LEU H 4.000 . 6.000 4.737 4.395 4.987 . 0 0 "[ . 1 . 2]" 1
203 1 13 ARG QD 1 14 LEU H 4.000 . 6.000 5.049 4.262 5.459 . 0 0 "[ . 1 . 2]" 1
204 1 23 ASP H 1 24 ILE HB 4.000 . 6.000 4.809 4.601 4.933 . 0 0 "[ . 1 . 2]" 1
205 1 23 ASP H 1 24 ILE H 4.000 . 6.000 2.658 2.489 2.799 . 0 0 "[ . 1 . 2]" 1
206 1 21 ASP H 1 24 ILE MD 4.000 . 6.000 4.290 3.869 4.677 . 0 0 "[ . 1 . 2]" 1
207 1 24 ILE QG 1 25 GLU H 4.000 . 6.000 4.101 4.030 4.224 . 0 0 "[ . 1 . 2]" 1
208 1 26 GLU QG 1 27 GLY H 4.000 . 6.000 4.186 3.892 4.497 . 0 0 "[ . 1 . 2]" 1
209 1 27 GLY H 1 28 ASP H 4.000 . 6.000 2.310 2.202 2.588 . 0 0 "[ . 1 . 2]" 1
210 1 28 ASP QB 1 29 LEU H 4.000 . 6.000 3.277 2.489 3.921 . 0 0 "[ . 1 . 2]" 1
211 1 28 ASP H 1 29 LEU H 4.000 . 6.000 4.224 3.927 4.379 . 0 0 "[ . 1 . 2]" 1
212 1 65 PHE QB 1 132 THR H 4.000 . 6.000 3.543 3.128 3.894 . 0 0 "[ . 1 . 2]" 1
213 1 66 VAL H 1 67 THR H 4.000 . 6.000 4.164 3.979 4.575 . 0 0 "[ . 1 . 2]" 1
214 1 74 GLU H 1 76 GLU H 4.000 . 6.000 4.839 4.400 5.344 . 0 0 "[ . 1 . 2]" 1
215 1 75 LYS HA 1 76 GLU H 4.000 . 6.000 3.529 3.473 3.603 . 0 0 "[ . 1 . 2]" 1
216 1 75 LYS H 1 77 THR H 4.000 . 6.000 4.690 4.248 5.257 . 0 0 "[ . 1 . 2]" 1
217 1 80 ILE HA 1 83 LEU H 4.000 . 6.000 3.398 3.219 3.944 . 0 0 "[ . 1 . 2]" 1
218 1 80 ILE MD 1 81 THR H 4.000 . 6.000 4.600 4.322 4.732 . 0 0 "[ . 1 . 2]" 1
219 1 80 ILE QG 1 81 THR H 4.000 . 6.000 3.909 3.686 4.439 . 0 0 "[ . 1 . 2]" 1
220 1 83 LEU H 1 85 GLN H 4.000 . 6.000 4.167 3.992 4.514 . 0 0 "[ . 1 . 2]" 1
221 1 83 LEU H 1 84 TRP HA 4.000 . 6.000 5.314 5.247 5.369 . 0 0 "[ . 1 . 2]" 1
222 1 86 GLY HA3 1 90 ASN HD21 4.000 . 6.000 5.602 3.643 6.092 0.092 11 0 "[ . 1 . 2]" 1
223 1 86 GLY QA 1 90 ASN HD21 4.000 . 6.000 4.828 2.519 5.530 . 0 0 "[ . 1 . 2]" 1
224 1 87 SER QB 1 90 ASN HD21 4.000 . 6.000 5.286 4.487 5.934 . 0 0 "[ . 1 . 2]" 1
225 1 88 LEU HA 1 91 ALA H 4.000 . 6.000 3.555 3.366 3.777 . 0 0 "[ . 1 . 2]" 1
226 1 90 ASN HA 1 92 ASN H 4.000 . 6.000 3.522 3.206 3.850 . 0 0 "[ . 1 . 2]" 1
227 1 91 ALA HA 1 93 TYR H 4.000 . 6.000 5.182 4.408 6.028 0.028 1 0 "[ . 1 . 2]" 1
228 1 90 ASN HD21 1 91 ALA H 4.000 . 6.000 4.819 4.508 5.316 . 0 0 "[ . 1 . 2]" 1
229 1 91 ALA H 1 92 ASN HA 4.000 . 6.000 4.651 4.435 4.822 . 0 0 "[ . 1 . 2]" 1
230 1 93 TYR QD 1 94 ASP H 4.000 . 6.000 4.075 3.288 4.912 . 0 0 "[ . 1 . 2]" 1
231 1 94 ASP HB2 1 95 VAL H 4.000 . 6.000 4.483 3.863 4.632 . 0 0 "[ . 1 . 2]" 1
232 1 96 GLN H 1 108 MET H 4.000 . 6.000 3.365 2.763 3.750 . 0 0 "[ . 1 . 2]" 1
233 1 99 ILE HA 1 106 ILE H 4.000 . 6.500 3.564 3.330 3.786 . 0 0 "[ . 1 . 2]" 1
234 1 101 GLY H 1 104 ARG H 4.000 . 6.000 5.587 5.123 5.932 . 0 0 "[ . 1 . 2]" 1
235 1 104 ARG QD 1 105 ALA H 4.000 . 6.000 4.804 3.346 5.317 . 0 0 "[ . 1 . 2]" 1
236 1 104 ARG H 1 105 ALA H 4.000 . 6.000 4.363 4.268 4.572 . 0 0 "[ . 1 . 2]" 1
237 1 98 PHE H 1 105 ALA MB 4.000 . 6.000 4.730 4.438 5.250 . 0 0 "[ . 1 . 2]" 1
238 1 98 PHE H 1 106 ILE HB 4.000 . 6.000 4.963 4.678 5.297 . 0 0 "[ . 1 . 2]" 1
239 1 98 PHE H 1 106 ILE QG 4.000 . 6.000 4.152 3.735 4.404 . 0 0 "[ . 1 . 2]" 1
240 1 107 PHE HB2 1 108 MET H 4.000 . 6.000 4.302 3.961 4.507 . 0 0 "[ . 1 . 2]" 1
241 1 109 LEU QD 1 111 ASP H 4.000 . 6.000 3.849 2.519 4.852 . 0 0 "[ . 1 . 2]" 1
242 1 113 SER HA 1 114 TYR H 4.000 . 6.000 3.493 3.362 3.584 . 0 0 "[ . 1 . 2]" 1
243 1 114 TYR HB2 1 115 ALA H 4.000 . 6.000 4.432 4.371 4.507 . 0 0 "[ . 1 . 2]" 1
244 1 119 LYS HA 1 122 LEU H 4.000 . 6.000 3.514 3.242 3.776 . 0 0 "[ . 1 . 2]" 1
245 1 122 LEU HB3 1 123 VAL H 4.000 . 6.000 3.662 3.511 3.820 . 0 0 "[ . 1 . 2]" 1
246 1 124 SER HA 1 125 GLN H 4.000 . 6.000 3.216 3.153 3.275 . 0 0 "[ . 1 . 2]" 1
247 1 133 LEU HB3 1 134 GLU H 4.000 . 6.000 3.064 2.213 4.156 . 0 0 "[ . 1 . 2]" 1
248 1 139 PRO HB3 1 140 GLY H 4.000 . 6.000 4.125 3.497 4.705 . 0 0 "[ . 1 . 2]" 1
249 1 140 GLY H 1 141 LYS H 4.000 . 6.000 3.575 2.153 4.521 . 0 0 "[ . 1 . 2]" 1
250 1 6 TYR HA 1 9 ALA H 3.000 . 6.000 4.186 3.834 4.445 . 0 0 "[ . 1 . 2]" 1
251 1 8 ASP HA 1 11 MET H 3.000 . 6.000 4.661 4.469 4.823 . 0 0 "[ . 1 . 2]" 1
252 1 13 ARG HA 1 14 LEU H 3.000 . 6.000 3.487 3.326 3.593 . 0 0 "[ . 1 . 2]" 1
253 1 13 ARG HA 1 16 GLU H 3.000 . 6.000 3.680 3.189 4.323 . 0 0 "[ . 1 . 2]" 1
254 1 20 LYS HA 1 21 ASP H 3.000 . 6.000 3.547 3.490 3.577 . 0 0 "[ . 1 . 2]" 1
255 1 20 LYS HA 1 23 ASP H 3.000 . 6.000 3.555 3.155 3.945 . 0 0 "[ . 1 . 2]" 1
256 1 10 ASP QB 1 11 MET ME 2.000 . 5.000 3.601 2.765 5.217 0.217 20 0 "[ . 1 . 2]" 1
257 1 20 LYS QG 1 21 ASP HA 2.000 . 4.000 3.509 2.768 4.015 0.015 18 0 "[ . 1 . 2]" 1
258 1 63 MET ME 1 106 ILE HG13 2.000 . 6.000 5.186 3.335 6.077 0.077 16 0 "[ . 1 . 2]" 1
259 1 63 MET ME 1 106 ILE QG 2.000 . 6.000 4.672 2.819 5.579 . 0 0 "[ . 1 . 2]" 1
260 1 64 MET QB 1 131 VAL QG 2.000 . 4.000 2.213 1.884 3.204 . 0 0 "[ . 1 . 2]" 1
261 1 64 MET ME 1 115 ALA MB 2.000 . 5.000 2.607 1.862 3.793 . 0 0 "[ . 1 . 2]" 1
262 1 71 ASN HA 1 72 PRO HD2 2.000 . 4.000 2.368 1.991 2.908 . 0 0 "[ . 1 . 2]" 1
263 1 66 VAL MG1 1 80 ILE QG 2.000 . 6.500 4.873 4.097 5.597 . 0 0 "[ . 1 . 2]" 1
264 1 88 LEU MD2 1 93 TYR QE 2.000 . 5.000 3.783 2.391 5.043 0.043 16 0 "[ . 1 . 2]" 1
265 1 88 LEU MD2 1 107 PHE QD 2.000 . 5.000 4.174 2.792 5.105 0.105 17 0 "[ . 1 . 2]" 1
266 1 88 LEU HA 1 91 ALA MB 2.000 . 4.000 2.966 2.560 3.585 . 0 0 "[ . 1 . 2]" 1
267 1 78 GLU QB 1 99 ILE MD 2.000 . 5.500 3.199 2.689 3.814 . 0 0 "[ . 1 . 2]" 1
268 1 99 ILE QG 1 105 ALA HA 2.000 . 4.500 4.004 3.413 4.319 . 0 0 "[ . 1 . 2]" 1
269 1 98 PHE QD 1 106 ILE QG 2.000 . 7.000 4.322 3.406 5.250 . 0 0 "[ . 1 . 2]" 1
270 1 109 LEU QD 1 118 ILE MD 2.000 . 4.000 2.720 1.788 3.964 0.012 4 0 "[ . 1 . 2]" 1
271 1 107 PHE QD 1 118 ILE QG 2.000 . 4.500 4.490 4.087 4.594 0.094 2 0 "[ . 1 . 2]" 1
272 1 66 VAL MG1 1 122 LEU MD1 2.000 . 4.000 2.573 1.966 3.115 . 0 0 "[ . 1 . 2]" 1
273 1 66 VAL MG1 1 122 LEU MD2 2.000 . 4.000 2.906 1.798 3.726 0.002 7 0 "[ . 1 . 2]" 1
274 1 84 TRP HZ3 1 122 LEU MD2 2.000 . 4.000 3.564 2.611 4.038 0.038 10 0 "[ . 1 . 2]" 1
275 1 84 TRP QB 1 122 LEU MD2 2.000 . 4.500 3.747 3.110 4.508 0.008 9 0 "[ . 1 . 2]" 1
276 1 88 LEU MD1 1 122 LEU MD2 2.000 . 4.500 3.404 2.805 4.284 . 0 0 "[ . 1 . 2]" 1
277 1 66 VAL MG1 1 131 VAL HA 2.000 . 4.000 3.071 2.497 3.500 . 0 0 "[ . 1 . 2]" 1
278 1 62 LEU QD 1 133 LEU HA 2.000 . 6.000 4.190 3.095 5.538 . 0 0 "[ . 1 . 2]" 1
279 1 116 TRP HZ3 1 133 LEU MD1 2.000 . 4.000 2.837 2.063 4.008 0.008 7 0 "[ . 1 . 2]" 1
280 1 139 PRO HB2 1 140 GLY HA3 2.000 . 4.500 4.385 4.089 4.642 0.142 2 0 "[ . 1 . 2]" 1
281 1 21 ASP HA 1 24 ILE MD 3.000 . 6.000 2.479 2.036 2.844 . 0 0 "[ . 1 . 2]" 1
282 1 28 ASP HB2 1 29 LEU QD 3.000 . 6.600 4.634 3.810 5.112 . 0 0 "[ . 1 . 2]" 1
283 1 63 MET QB 1 65 PHE QD 3.000 . 6.000 4.634 3.758 5.660 . 0 0 "[ . 1 . 2]" 1
284 1 64 MET QB 1 133 LEU MD2 3.000 . 5.000 3.638 2.841 4.811 . 0 0 "[ . 1 . 2]" 1
285 1 64 MET ME 1 115 ALA HA 3.000 . 5.000 3.289 2.415 4.156 . 0 0 "[ . 1 . 2]" 1
286 1 64 MET ME 1 119 LYS QE 3.000 . 5.000 4.512 3.741 4.971 . 0 0 "[ . 1 . 2]" 1
287 1 64 MET ME 1 133 LEU MD2 3.000 . 5.000 2.154 1.857 2.763 . 0 0 "[ . 1 . 2]" 1
288 1 66 VAL MG1 1 67 THR HA 3.000 . 7.000 4.124 3.561 4.294 . 0 0 "[ . 1 . 2]" 1
289 1 78 GLU HA 1 99 ILE MD 3.000 . 5.500 2.288 1.867 2.576 . 0 0 "[ . 1 . 2]" 1
290 1 79 GLU HB2 1 80 ILE MD 3.000 . 6.000 4.848 2.837 5.358 . 0 0 "[ . 1 . 2]" 1
291 1 80 ILE HA 1 83 LEU HB2 3.000 . 5.000 2.915 2.595 3.387 . 0 0 "[ . 1 . 2]" 1
292 1 80 ILE HA 1 83 LEU QD 3.000 . 5.000 2.426 2.196 3.535 . 0 0 "[ . 1 . 2]" 1
293 1 80 ILE MD 1 83 LEU HB2 3.000 . 6.500 2.964 2.432 4.804 . 0 0 "[ . 1 . 2]" 1
294 1 80 ILE QG 1 84 TRP HD1 3.000 . 5.000 4.154 3.485 5.045 0.045 8 0 "[ . 1 . 2]" 1
295 1 80 ILE QG 1 84 TRP HZ3 3.000 . 6.000 4.553 3.232 5.312 . 0 0 "[ . 1 . 2]" 1
296 1 81 THR HG1 1 105 ALA HA 3.000 . 5.000 5.012 4.696 5.099 0.099 3 0 "[ . 1 . 2]" 1
297 1 84 TRP HE3 1 88 LEU MD1 3.000 . 5.000 4.615 3.801 5.037 0.037 6 0 "[ . 1 . 2]" 1
298 1 87 SER QB 1 88 LEU MD1 3.000 . 5.000 3.111 1.780 4.586 0.020 9 0 "[ . 1 . 2]" 1
299 1 88 LEU MD2 1 93 TYR QD 3.000 . 4.500 2.800 1.883 3.797 . 0 0 "[ . 1 . 2]" 1
300 1 88 LEU MD2 1 121 PHE QE 3.000 . 5.000 3.874 3.047 4.680 . 0 0 "[ . 1 . 2]" 1
301 1 91 ALA MB 1 93 TYR QD 3.000 . 4.500 2.953 2.010 3.757 . 0 0 "[ . 1 . 2]" 1
302 1 91 ALA MB 1 93 TYR QE 3.000 . 5.000 2.691 1.894 3.257 . 0 0 "[ . 1 . 2]" 1
303 1 81 THR HG1 1 99 ILE MD 3.000 . 5.500 2.745 2.344 3.400 . 0 0 "[ . 1 . 2]" 1
304 1 99 ILE MD 1 105 ALA HA 3.000 . 5.500 5.322 4.577 5.541 0.041 14 0 "[ . 1 . 2]" 1
305 1 77 THR HB 1 99 ILE QG 3.000 . 6.000 3.919 2.915 5.033 . 0 0 "[ . 1 . 2]" 1
306 1 99 ILE HA 1 105 ALA HA 3.000 . 5.500 2.901 2.559 3.207 . 0 0 "[ . 1 . 2]" 1
307 1 63 MET ME 1 106 ILE MD 3.000 . 6.000 3.647 1.991 4.573 . 0 0 "[ . 1 . 2]" 1
308 1 65 PHE QD 1 106 ILE MD 3.000 . 6.000 3.011 2.354 3.626 . 0 0 "[ . 1 . 2]" 1
309 1 65 PHE QD 1 106 ILE QG 3.000 . 6.000 3.108 2.067 3.789 . 0 0 "[ . 1 . 2]" 1
310 1 98 PHE HA 1 106 ILE QG 3.000 . 7.000 6.536 6.237 6.744 . 0 0 "[ . 1 . 2]" 1
311 1 98 PHE HB2 1 106 ILE QG 3.000 . 6.000 4.448 4.167 4.789 . 0 0 "[ . 1 . 2]" 1
312 1 106 ILE QG 1 108 MET HA 3.000 . 6.300 4.400 3.897 4.875 . 0 0 "[ . 1 . 2]" 1
313 1 62 LEU MD1 1 115 ALA HA 3.000 . 6.000 3.960 3.003 6.083 0.083 2 0 "[ . 1 . 2]" 1
314 1 115 ALA MB 1 133 LEU MD2 3.000 . 5.000 4.146 3.229 4.661 . 0 0 "[ . 1 . 2]" 1
315 1 88 LEU MD2 1 118 ILE HA 3.000 . 5.500 3.651 2.574 4.488 . 0 0 "[ . 1 . 2]" 1
316 1 88 LEU QD 1 118 ILE HA 3.000 . 5.500 3.505 2.562 4.099 . 0 0 "[ . 1 . 2]" 1
317 1 88 LEU MD2 1 118 ILE HG13 3.000 . 5.500 2.227 1.805 3.267 . 0 0 "[ . 1 . 2]" 1
318 1 93 TYR HB2 1 118 ILE MD 3.000 . 5.500 4.695 4.140 5.518 0.018 7 0 "[ . 1 . 2]" 1
319 1 93 TYR QE 1 118 ILE MD 3.000 . 5.500 4.718 3.144 5.548 0.048 10 0 "[ . 1 . 2]" 1
320 1 114 TYR QD 1 118 ILE MD 3.000 . 5.500 3.638 1.791 5.306 0.009 6 0 "[ . 1 . 2]" 1
321 1 114 TYR QE 1 118 ILE MD 3.000 . 5.500 3.363 2.167 5.052 . 0 0 "[ . 1 . 2]" 1
322 1 119 LYS HA 1 123 VAL QG 3.000 . 5.000 3.754 3.445 3.932 . 0 0 "[ . 1 . 2]" 1
323 1 88 LEU MD2 1 122 LEU HA 3.000 . 6.500 5.976 5.542 6.427 . 0 0 "[ . 1 . 2]" 1
324 1 88 LEU MD1 1 122 LEU MD1 3.000 . 6.000 4.846 3.934 5.808 . 0 0 "[ . 1 . 2]" 1
325 1 121 PHE QD 1 122 LEU MD1 3.000 . 6.000 4.602 4.003 4.757 . 0 0 "[ . 1 . 2]" 1
326 1 84 TRP HD1 1 122 LEU MD2 3.000 . 6.000 4.239 3.582 5.161 . 0 0 "[ . 1 . 2]" 1
327 1 84 TRP HE3 1 122 LEU MD2 3.000 . 5.000 3.621 2.895 4.316 . 0 0 "[ . 1 . 2]" 1
328 1 84 TRP HH2 1 122 LEU MD2 3.000 . 5.000 3.343 3.052 3.815 . 0 0 "[ . 1 . 2]" 1
329 1 121 PHE QD 1 122 LEU MD2 3.000 . 5.000 2.478 1.789 2.854 0.011 8 0 "[ . 1 . 2]" 1
330 1 133 LEU MD1 1 138 TYR QE 3.000 . 6.000 3.773 2.153 6.057 0.057 7 0 "[ . 1 . 2]" 1
331 1 116 TRP HE3 1 133 LEU MD2 3.000 . 5.000 4.480 3.375 5.066 0.066 11 0 "[ . 1 . 2]" 1
332 1 116 TRP HZ3 1 133 LEU MD2 3.000 . 5.000 3.018 1.946 3.876 . 0 0 "[ . 1 . 2]" 1
333 1 133 LEU MD2 1 138 TYR QE 3.000 . 6.000 3.966 1.808 5.957 . 0 0 "[ . 1 . 2]" 1
334 1 106 ILE QG 1 108 MET ME 4.000 . 6.000 2.879 1.952 5.060 . 0 0 "[ . 1 . 2]" 1
335 1 93 TYR QD 1 118 ILE MD 4.000 . 4.500 3.835 2.336 4.534 0.034 20 0 "[ . 1 . 2]" 1
336 1 88 LEU MD2 1 121 PHE QD 4.000 . 6.000 3.285 2.557 3.914 . 0 0 "[ . 1 . 2]" 1
337 1 84 TRP HZ2 1 122 LEU MD2 4.000 . 6.000 3.215 2.730 3.852 . 0 0 "[ . 1 . 2]" 1
338 1 116 TRP HH2 1 133 LEU MD2 4.000 . 6.000 3.802 2.619 4.509 . 0 0 "[ . 1 . 2]" 1
339 1 93 TYR QE 1 114 TYR QD 2.000 . 5.000 3.750 3.157 4.083 . 0 0 "[ . 1 . 2]" 1
340 1 93 TYR QE 1 114 TYR QE 2.000 . 5.000 4.375 3.850 4.800 . 0 0 "[ . 1 . 2]" 1
341 1 93 TYR QD 1 114 TYR QD 2.000 . 5.500 3.856 3.524 4.203 . 0 0 "[ . 1 . 2]" 1
342 1 93 TYR QD 1 114 TYR QE 2.000 . 5.000 3.406 3.027 3.698 . 0 0 "[ . 1 . 2]" 1
343 1 93 TYR HE2 1 114 TYR QD 2.000 . 5.000 4.498 3.208 4.991 . 0 0 "[ . 1 . 2]" 1
344 1 93 TYR HE1 1 114 TYR QD 2.000 . 5.000 4.285 3.666 4.979 . 0 0 "[ . 1 . 2]" 1
345 1 93 TYR HD2 1 114 TYR QE 2.000 . 5.000 4.167 3.073 4.954 . 0 0 "[ . 1 . 2]" 1
346 1 93 TYR HD1 1 114 TYR QE 2.000 . 5.000 3.867 3.366 4.979 . 0 0 "[ . 1 . 2]" 1
347 1 116 TRP HH2 1 139 PRO HB3 3.000 . 5.000 4.526 4.002 5.033 0.033 18 0 "[ . 1 . 2]" 1
348 1 67 THR HA 1 104 ARG HA 2.000 . 4.000 2.411 1.966 2.862 . 0 0 "[ . 1 . 2]" 1
349 1 66 VAL HA 1 67 THR H 2.000 . 5.000 2.178 2.146 2.248 . 0 0 "[ . 1 . 2]" 1
350 1 66 VAL HB 1 67 THR H 2.000 . 5.000 4.332 3.870 4.400 . 0 0 "[ . 1 . 2]" 1
351 1 73 THR H 1 76 GLU QB 2.000 . 5.800 5.574 4.918 6.158 0.358 4 0 "[ . 1 . 2]" 1
352 1 73 THR H 1 76 GLU QG 2.000 . 5.000 4.497 3.392 5.144 0.144 12 0 "[ . 1 . 2]" 1
353 1 73 THR H 1 75 LYS QD 2.000 . 5.300 5.394 5.312 5.563 0.263 6 0 "[ . 1 . 2]" 1
354 1 90 ASN H 1 91 ALA MB 2.000 . 5.000 4.148 3.800 4.376 . 0 0 "[ . 1 . 2]" 1
355 1 89 PHE HA 1 93 TYR H 2.000 . 5.000 2.695 2.120 3.153 . 0 0 "[ . 1 . 2]" 1
356 1 93 TYR HA 1 94 ASP H 2.000 . 5.000 2.251 2.143 2.483 . 0 0 "[ . 1 . 2]" 1
357 1 100 VAL HA 1 102 SER H 2.000 . 6.500 5.195 4.538 5.405 . 0 0 "[ . 1 . 2]" 1
358 1 99 ILE HA 1 101 GLY H 2.000 . 6.000 5.903 5.694 6.057 0.057 4 0 "[ . 1 . 2]" 1
359 1 103 ASP H 1 104 ARG QB 2.000 . 6.000 4.482 3.533 5.294 . 0 0 "[ . 1 . 2]" 1
360 1 111 ASP H 1 112 GLY H 2.000 . 5.000 4.257 3.944 4.529 . 0 0 "[ . 1 . 2]" 1
361 1 107 PHE HA 1 108 MET H 2.000 . 5.000 2.179 2.135 2.343 . 0 0 "[ . 1 . 2]" 1
362 1 63 MET QB 1 108 MET H 2.000 . 6.000 5.268 4.630 5.931 . 0 0 "[ . 1 . 2]" 1
363 1 108 MET H 1 109 LEU QD 2.000 . 5.000 3.937 3.266 4.984 . 0 0 "[ . 1 . 2]" 1
364 1 109 LEU H 1 110 ARG QG 2.000 . 6.400 5.658 4.425 6.435 0.035 20 0 "[ . 1 . 2]" 1
365 1 95 VAL HB 1 110 ARG H 2.000 . 6.000 5.754 4.960 6.110 0.110 10 0 "[ . 1 . 2]" 1
366 1 124 SER QB 1 125 GLN H 2.000 . 5.000 3.529 3.443 3.618 . 0 0 "[ . 1 . 2]" 1
367 1 123 VAL QG 1 125 GLN H 2.000 . 6.000 4.066 4.007 4.168 . 0 0 "[ . 1 . 2]" 1
368 1 88 LEU MD2 1 118 ILE HB 2.000 . 5.500 3.617 2.548 4.786 . 0 0 "[ . 1 . 2]" 1
369 1 88 LEU MD2 1 118 ILE MD 2.000 . 5.500 2.377 1.976 3.063 . 0 0 "[ . 1 . 2]" 1
370 1 88 LEU MD2 1 118 ILE MG 2.000 . 5.500 3.807 2.621 4.251 . 0 0 "[ . 1 . 2]" 1
371 1 88 LEU MD2 1 95 VAL HB 2.000 . 6.000 5.243 4.099 6.087 0.087 20 0 "[ . 1 . 2]" 1
372 1 88 LEU MD1 1 95 VAL HB 2.000 . 7.000 6.028 4.387 7.107 0.107 10 0 "[ . 1 . 2]" 1
373 1 84 TRP HH2 1 125 GLN HE21 2.000 . 5.000 4.792 3.596 5.241 0.241 1 0 "[ . 1 . 2]" 1
374 1 84 TRP HZ2 1 125 GLN HE21 2.000 . 5.000 2.604 1.724 3.585 0.076 19 0 "[ . 1 . 2]" 1
375 1 83 LEU HB2 1 125 GLN HE21 2.000 . 6.000 5.865 4.092 6.155 0.155 1 0 "[ . 1 . 2]" 1
376 1 89 PHE QD 1 93 TYR QD 2.000 . 6.000 5.700 4.374 6.059 0.059 3 0 "[ . 1 . 2]" 1
377 1 116 TRP HH2 1 139 PRO HB2 2.000 . 6.000 5.001 3.645 5.589 . 0 0 "[ . 1 . 2]" 1
378 1 116 TRP HH2 1 139 PRO QD 2.000 . 6.000 2.814 2.138 3.686 . 0 0 "[ . 1 . 2]" 1
379 1 116 TRP HZ2 1 139 PRO HB2 2.000 . 6.000 4.389 3.215 6.056 0.056 6 0 "[ . 1 . 2]" 1
380 1 84 TRP HE1 1 121 PHE QD 2.000 . 6.500 4.576 3.758 5.776 . 0 0 "[ . 1 . 2]" 1
381 1 84 TRP HE3 1 107 PHE QD 2.000 . 5.000 4.629 4.199 5.021 0.021 9 0 "[ . 1 . 2]" 1
382 1 84 TRP HE3 1 107 PHE QE 2.000 . 5.000 2.592 2.161 3.363 . 0 0 "[ . 1 . 2]" 1
383 1 84 TRP HZ3 1 107 PHE QD 2.000 . 5.000 4.334 3.915 5.020 0.020 17 0 "[ . 1 . 2]" 1
384 1 84 TRP HZ3 1 107 PHE QE 2.000 . 5.000 2.578 1.905 3.335 . 0 0 "[ . 1 . 2]" 1
385 1 84 TRP HD1 1 121 PHE QE 2.000 . 6.000 2.301 1.774 3.515 0.026 19 0 "[ . 1 . 2]" 1
386 1 84 TRP HE3 1 121 PHE QE 2.000 . 6.000 5.699 4.636 6.084 0.084 14 0 "[ . 1 . 2]" 1
387 1 107 PHE QE 1 121 PHE QE 2.000 . 6.000 5.910 4.982 6.061 0.061 9 0 "[ . 1 . 2]" 1
388 1 115 ALA MB 1 116 TRP HE3 2.000 . 4.000 2.897 2.144 3.804 . 0 0 "[ . 1 . 2]" 1
389 1 115 ALA MB 1 116 TRP HZ3 2.000 . 4.000 3.721 2.851 4.094 0.094 12 0 "[ . 1 . 2]" 1
390 1 116 TRP HZ2 1 139 PRO QG 2.000 . 4.600 2.628 1.782 3.817 0.018 1 0 "[ . 1 . 2]" 1
391 1 116 TRP HH2 1 139 PRO QG 2.000 . 4.000 2.494 1.885 3.004 . 0 0 "[ . 1 . 2]" 1
392 1 96 GLN HA 1 97 ARG QD 2.000 . 3.500 2.949 2.289 3.333 . 0 0 "[ . 1 . 2]" 1
393 1 97 ARG QG 1 98 PHE HA 2.000 . 5.000 3.774 3.444 4.165 . 0 0 "[ . 1 . 2]" 1
394 1 15 LEU QD 1 65 PHE QD 3.000 . 6.000 4.162 3.446 5.082 . 0 0 "[ . 1 . 2]" 1
395 1 15 LEU QD 1 106 ILE MD 3.000 . 5.000 1.902 1.729 2.454 0.071 11 0 "[ . 1 . 2]" 1
396 1 15 LEU QD 1 106 ILE MG 3.000 . 5.000 3.544 2.937 4.696 . 0 0 "[ . 1 . 2]" 1
397 1 14 LEU QD 1 106 ILE MD 3.000 . 5.000 3.150 2.013 4.264 . 0 0 "[ . 1 . 2]" 1
398 1 14 LEU QD 1 106 ILE MG 3.000 . 5.000 3.342 2.289 4.101 . 0 0 "[ . 1 . 2]" 1
399 1 18 TRP HD1 1 108 MET ME 3.000 . 5.500 4.811 3.548 5.537 0.037 18 0 "[ . 1 . 2]" 1
400 1 18 TRP HE1 1 108 MET ME 3.000 . 5.500 3.588 2.449 4.934 . 0 0 "[ . 1 . 2]" 1
401 1 18 TRP HZ2 1 108 MET ME 3.000 . 5.500 3.124 2.317 5.078 . 0 0 "[ . 1 . 2]" 1
402 1 18 TRP HH2 1 108 MET ME 3.000 . 5.500 3.832 2.649 4.858 . 0 0 "[ . 1 . 2]" 1
403 1 18 TRP HZ3 1 108 MET ME 3.000 . 5.500 4.676 3.544 5.539 0.039 9 0 "[ . 1 . 2]" 1
404 1 18 TRP HH2 1 108 MET QB 3.000 . 5.000 3.540 2.627 4.974 . 0 0 "[ . 1 . 2]" 1
405 1 18 TRP HZ3 1 108 MET QB 3.000 . 5.000 3.256 2.401 4.612 . 0 0 "[ . 1 . 2]" 1
406 1 18 TRP HE3 1 108 MET QB 3.000 . 5.000 4.036 3.273 4.535 . 0 0 "[ . 1 . 2]" 1
407 1 21 ASP QB 1 110 ARG QD 3.000 . 6.000 5.967 5.290 6.193 0.193 20 0 "[ . 1 . 2]" 1
408 1 22 ASP QB 1 110 ARG QD 3.000 . 5.000 4.995 4.250 5.180 0.180 1 0 "[ . 1 . 2]" 1
409 1 14 LEU QD 1 100 VAL QG 3.000 . 5.000 2.881 2.141 3.678 . 0 0 "[ . 1 . 2]" 1
410 1 15 LEU QD 1 100 VAL QG 3.000 . 6.300 4.525 3.676 5.598 . 0 0 "[ . 1 . 2]" 1
411 1 15 LEU QD 1 18 TRP HD1 3.000 . 4.000 2.919 2.415 3.588 . 0 0 "[ . 1 . 2]" 1
412 1 15 LEU QD 1 18 TRP HE1 3.000 . 5.000 3.698 2.990 4.725 . 0 0 "[ . 1 . 2]" 1
413 1 14 LEU QD 1 108 MET ME 3.000 . 6.000 3.634 2.362 6.043 0.043 19 0 "[ . 1 . 2]" 1
414 1 3 ILE MD 1 72 PRO QD 3.000 . 6.000 4.932 3.163 5.679 . 0 0 "[ . 1 . 2]" 1
415 1 3 ILE HB 1 72 PRO HA 3.000 . 6.000 4.960 3.540 6.030 0.030 12 0 "[ . 1 . 2]" 1
416 1 3 ILE MD 1 72 PRO HA 3.000 . 6.000 3.441 2.592 4.490 . 0 0 "[ . 1 . 2]" 1
417 1 3 ILE MG 1 72 PRO HA 3.000 . 6.000 4.638 3.484 5.711 . 0 0 "[ . 1 . 2]" 1
418 1 3 ILE HA 1 72 PRO QB 3.000 . 6.000 6.017 5.390 6.195 0.195 8 0 "[ . 1 . 2]" 1
419 1 3 ILE HB 1 72 PRO QB 3.000 . 6.000 4.504 3.749 6.023 0.023 12 0 "[ . 1 . 2]" 1
420 1 3 ILE MD 1 72 PRO QB 3.000 . 6.000 3.586 2.644 4.510 . 0 0 "[ . 1 . 2]" 1
421 1 3 ILE MG 1 72 PRO QB 3.000 . 6.000 4.888 3.357 5.851 . 0 0 "[ . 1 . 2]" 1
422 1 11 MET ME 1 65 PHE QD 3.000 . 6.000 3.858 2.637 5.254 . 0 0 "[ . 1 . 2]" 1
423 1 11 MET ME 1 65 PHE QE 3.000 . 6.000 3.432 1.929 4.656 . 0 0 "[ . 1 . 2]" 1
424 1 11 MET ME 1 106 ILE MG 3.000 . 5.000 2.624 2.066 3.294 . 0 0 "[ . 1 . 2]" 1
425 1 11 MET ME 1 106 ILE MD 3.000 . 5.000 2.758 2.141 3.721 . 0 0 "[ . 1 . 2]" 1
426 1 11 MET ME 1 14 LEU QD 3.000 . 5.000 2.583 1.779 4.557 0.021 2 0 "[ . 1 . 2]" 1
427 1 11 MET ME 1 15 LEU QD 3.000 . 5.000 2.833 2.214 4.297 . 0 0 "[ . 1 . 2]" 1
428 1 3 ILE MG 1 6 TYR QE 3.000 . 6.000 3.835 2.213 6.058 0.058 5 0 "[ . 1 . 2]" 1
429 1 3 ILE MG 1 6 TYR QD 3.000 . 6.000 2.946 1.847 4.544 . 0 0 "[ . 1 . 2]" 1
430 1 3 ILE MD 1 6 TYR QE 3.000 . 6.000 3.650 2.595 5.997 . 0 0 "[ . 1 . 2]" 1
431 1 3 ILE MD 1 6 TYR QD 3.000 . 6.000 2.988 2.555 4.880 . 0 0 "[ . 1 . 2]" 1
432 1 24 ILE MG 1 29 LEU QD 3.000 . 5.000 2.775 2.322 3.611 . 0 0 "[ . 1 . 2]" 1
433 1 24 ILE MD 1 29 LEU QD 3.000 . 5.000 2.867 2.503 4.005 . 0 0 "[ . 1 . 2]" 1
434 1 64 MET ME 1 116 TRP HH2 2.000 . 5.000 4.932 3.964 5.069 0.069 14 0 "[ . 1 . 2]" 1
435 1 64 MET ME 1 116 TRP HZ3 2.000 . 5.000 3.503 2.507 4.053 . 0 0 "[ . 1 . 2]" 1
436 1 116 TRP HH2 1 137 MET ME 2.000 . 5.000 3.795 2.676 5.033 0.033 13 0 "[ . 1 . 2]" 1
437 1 116 TRP HZ3 1 137 MET ME 2.000 . 5.000 4.780 3.804 5.059 0.059 15 0 "[ . 1 . 2]" 1
438 1 11 MET ME 1 106 ILE H 3.000 . 5.000 4.940 4.208 5.088 0.088 18 0 "[ . 1 . 2]" 1
439 1 12 ALA MB 1 65 PHE QE 3.000 . 6.500 5.913 5.030 6.526 0.026 12 0 "[ . 1 . 2]" 1
440 1 18 TRP HH2 1 96 GLN H 3.000 . 6.000 5.415 4.450 6.060 0.060 2 0 "[ . 1 . 2]" 1
441 1 18 TRP HH2 1 96 GLN QB 3.000 . 4.000 2.915 2.173 3.729 . 0 0 "[ . 1 . 2]" 1
442 1 18 TRP HZ3 1 96 GLN QB 3.000 . 5.000 4.166 3.278 5.089 0.089 2 0 "[ . 1 . 2]" 1
443 1 6 TYR QE 1 11 MET HA 3.000 . 6.000 5.242 4.576 6.062 0.062 11 0 "[ . 1 . 2]" 1
444 1 6 TYR QE 1 11 MET ME 3.000 . 4.000 2.756 1.928 4.037 0.037 6 0 "[ . 1 . 2]" 1
445 1 6 TYR QD 1 11 MET ME 3.000 . 5.500 4.018 2.857 5.200 . 0 0 "[ . 1 . 2]" 1
446 1 62 LEU H 1 109 LEU H 3.000 . 4.500 4.351 3.909 4.646 0.146 15 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 94
_Distance_constraint_stats_list.Viol_count 765
_Distance_constraint_stats_list.Viol_total 815.654
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0374
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0217
_Distance_constraint_stats_list.Viol_average_violations_only 0.0533
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 4 ARG 0.469 0.090 7 0 "[ . 1 . 2]"
1 5 ASP 1.443 0.168 9 0 "[ . 1 . 2]"
1 6 TYR 1.284 0.136 20 0 "[ . 1 . 2]"
1 7 ASN 3.206 0.223 17 0 "[ . 1 . 2]"
1 8 ASP 3.723 0.202 8 0 "[ . 1 . 2]"
1 9 ALA 2.437 0.168 9 0 "[ . 1 . 2]"
1 10 ASP 2.304 0.137 17 0 "[ . 1 . 2]"
1 11 MET 3.459 0.223 17 0 "[ . 1 . 2]"
1 12 ALA 4.225 0.202 8 0 "[ . 1 . 2]"
1 13 ARG 0.994 0.100 8 0 "[ . 1 . 2]"
1 14 LEU 1.019 0.137 17 0 "[ . 1 . 2]"
1 15 LEU 0.253 0.121 19 0 "[ . 1 . 2]"
1 16 GLU 2.274 0.146 17 0 "[ . 1 . 2]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TRP 1.854 0.111 14 0 "[ . 1 . 2]"
1 19 GLU 0.534 0.073 17 0 "[ . 1 . 2]"
1 20 LYS 1.362 0.146 17 0 "[ . 1 . 2]"
1 21 ASP 0.514 0.115 18 0 "[ . 1 . 2]"
1 22 ASP 2.918 0.129 15 0 "[ . 1 . 2]"
1 23 ASP 0.534 0.073 17 0 "[ . 1 . 2]"
1 24 ILE 0.059 0.024 11 0 "[ . 1 . 2]"
1 25 GLU 0.514 0.115 18 0 "[ . 1 . 2]"
1 26 GLU 1.064 0.129 15 0 "[ . 1 . 2]"
1 62 LEU 0.941 0.163 6 0 "[ . 1 . 2]"
1 63 MET 1.030 0.129 17 0 "[ . 1 . 2]"
1 64 MET 0.121 0.033 16 0 "[ . 1 . 2]"
1 65 PHE 0.293 0.046 7 0 "[ . 1 . 2]"
1 66 VAL 0.671 0.115 10 0 "[ . 1 . 2]"
1 67 THR 0.294 0.062 8 0 "[ . 1 . 2]"
1 68 VAL 1.184 0.115 7 0 "[ . 1 . 2]"
1 74 GLU 0.509 0.099 5 0 "[ . 1 . 2]"
1 75 LYS 0.920 0.094 2 0 "[ . 1 . 2]"
1 76 GLU 0.903 0.063 17 0 "[ . 1 . 2]"
1 77 THR 0.082 0.027 5 0 "[ . 1 . 2]"
1 78 GLU 1.381 0.099 2 0 "[ . 1 . 2]"
1 79 GLU 2.098 0.132 1 0 "[ . 1 . 2]"
1 80 ILE 1.259 0.087 6 0 "[ . 1 . 2]"
1 81 THR 0.177 0.055 9 0 "[ . 1 . 2]"
1 82 SER 1.719 0.099 2 0 "[ . 1 . 2]"
1 83 LEU 2.154 0.132 1 0 "[ . 1 . 2]"
1 84 TRP 0.379 0.087 6 0 "[ . 1 . 2]"
1 85 GLN 0.095 0.055 9 0 "[ . 1 . 2]"
1 86 GLY 0.847 0.088 11 0 "[ . 1 . 2]"
1 87 SER 0.976 0.084 15 0 "[ . 1 . 2]"
1 88 LEU 0.024 0.024 11 0 "[ . 1 . 2]"
1 96 GLN 3.022 0.210 16 0 "[ . 1 . 2]"
1 98 PHE 2.781 0.136 7 0 "[ . 1 . 2]"
1 103 ASP 1.184 0.115 7 0 "[ . 1 . 2]"
1 105 ALA 0.671 0.115 10 0 "[ . 1 . 2]"
1 106 ILE 2.781 0.136 7 0 "[ . 1 . 2]"
1 107 PHE 0.121 0.033 16 0 "[ . 1 . 2]"
1 108 MET 3.022 0.210 16 0 "[ . 1 . 2]"
1 109 LEU 0.941 0.163 6 0 "[ . 1 . 2]"
1 115 ALA 1.009 0.108 14 0 "[ . 1 . 2]"
1 116 TRP 0.236 0.041 12 0 "[ . 1 . 2]"
1 117 GLU 0.972 0.106 5 0 "[ . 1 . 2]"
1 118 ILE 0.138 0.036 18 0 "[ . 1 . 2]"
1 119 LYS 2.126 0.121 4 0 "[ . 1 . 2]"
1 120 ASP 2.226 0.198 15 0 "[ . 1 . 2]"
1 121 PHE 0.972 0.106 5 0 "[ . 1 . 2]"
1 122 LEU 0.138 0.036 18 0 "[ . 1 . 2]"
1 123 VAL 1.117 0.121 4 0 "[ . 1 . 2]"
1 124 SER 1.990 0.198 15 0 "[ . 1 . 2]"
1 130 GLU 0.294 0.062 8 0 "[ . 1 . 2]"
1 132 THR 0.293 0.046 7 0 "[ . 1 . 2]"
1 134 GLU 1.030 0.129 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 62 LEU O 1 109 LEU N 2.700 2.200 3.000 2.939 2.750 3.057 0.057 7 0 "[ . 1 . 2]" 2
2 1 62 LEU O 1 109 LEU H 1.700 . 2.000 2.021 1.848 2.163 0.163 6 0 "[ . 1 . 2]" 2
3 1 64 MET N 1 107 PHE O 2.700 2.200 3.000 2.835 2.754 2.966 . 0 0 "[ . 1 . 2]" 2
4 1 64 MET H 1 107 PHE O 1.700 . 2.000 1.882 1.805 2.017 0.017 9 0 "[ . 1 . 2]" 2
5 1 64 MET O 1 107 PHE N 2.700 2.200 3.000 2.897 2.778 3.007 0.007 3 0 "[ . 1 . 2]" 2
6 1 64 MET O 1 107 PHE H 1.700 . 2.000 1.946 1.813 2.033 0.033 16 0 "[ . 1 . 2]" 2
7 1 66 VAL N 1 105 ALA O 2.700 2.200 3.000 2.880 2.711 2.989 . 0 0 "[ . 1 . 2]" 2
8 1 66 VAL H 1 105 ALA O 1.700 . 2.000 1.975 1.852 2.055 0.055 16 0 "[ . 1 . 2]" 2
9 1 66 VAL O 1 105 ALA N 2.700 2.200 3.000 2.904 2.804 3.038 0.038 10 0 "[ . 1 . 2]" 2
10 1 66 VAL O 1 105 ALA H 1.700 . 2.000 1.980 1.852 2.115 0.115 10 0 "[ . 1 . 2]" 2
11 1 68 VAL N 1 103 ASP O 2.700 2.200 3.000 2.898 2.777 3.056 0.056 4 0 "[ . 1 . 2]" 2
12 1 68 VAL H 1 103 ASP O 1.700 . 2.000 2.049 1.955 2.115 0.115 7 0 "[ . 1 . 2]" 2
13 1 98 PHE O 1 106 ILE N 2.700 2.200 3.000 3.043 2.973 3.121 0.121 7 0 "[ . 1 . 2]" 2
14 1 98 PHE O 1 106 ILE H 1.700 . 2.000 2.074 2.006 2.136 0.136 7 0 "[ . 1 . 2]" 2
15 1 98 PHE N 1 106 ILE O 2.700 2.200 3.000 2.928 2.805 3.023 0.023 20 0 "[ . 1 . 2]" 2
16 1 98 PHE H 1 106 ILE O 1.700 . 2.000 1.987 1.859 2.083 0.083 15 0 "[ . 1 . 2]" 2
17 1 96 GLN O 1 108 MET N 2.700 2.200 3.000 2.813 2.703 2.979 . 0 0 "[ . 1 . 2]" 2
18 1 96 GLN O 1 108 MET H 1.700 . 2.000 1.882 1.780 2.019 0.019 8 0 "[ . 1 . 2]" 2
19 1 96 GLN N 1 108 MET O 2.700 2.200 3.000 3.048 2.938 3.139 0.139 16 0 "[ . 1 . 2]" 2
20 1 96 GLN H 1 108 MET O 1.700 . 2.000 2.098 1.993 2.210 0.210 16 0 "[ . 1 . 2]" 2
21 1 67 THR N 1 130 GLU O 2.700 2.200 3.000 2.766 2.571 2.912 . 0 0 "[ . 1 . 2]" 2
22 1 67 THR H 1 130 GLU O 1.700 . 2.000 1.978 1.864 2.062 0.062 8 0 "[ . 1 . 2]" 2
23 1 65 PHE O 1 132 THR N 2.700 2.200 3.000 2.887 2.715 3.000 . 0 0 "[ . 1 . 2]" 2
24 1 65 PHE O 1 132 THR H 1.700 . 2.000 1.979 1.906 2.046 0.046 7 0 "[ . 1 . 2]" 2
25 1 65 PHE N 1 132 THR O 2.700 2.200 3.000 2.827 2.732 2.964 . 0 0 "[ . 1 . 2]" 2
26 1 65 PHE H 1 132 THR O 1.700 . 2.000 1.926 1.827 2.023 0.023 13 0 "[ . 1 . 2]" 2
27 1 63 MET O 1 134 GLU N 2.700 2.200 3.000 2.906 2.638 3.071 0.071 17 0 "[ . 1 . 2]" 2
28 1 63 MET O 1 134 GLU H 1.700 . 2.000 2.032 1.907 2.129 0.129 17 0 "[ . 1 . 2]" 2
29 1 74 GLU O 1 78 GLU N 2.700 2.200 3.000 2.906 2.727 3.067 0.067 5 0 "[ . 1 . 2]" 2
30 1 74 GLU O 1 78 GLU H 1.700 . 2.000 1.963 1.789 2.099 0.099 5 0 "[ . 1 . 2]" 2
31 1 75 LYS O 1 79 GLU N 2.700 2.200 3.000 2.986 2.864 3.065 0.065 2 0 "[ . 1 . 2]" 2
32 1 75 LYS O 1 79 GLU H 1.700 . 2.000 2.014 1.907 2.094 0.094 2 0 "[ . 1 . 2]" 2
33 1 76 GLU O 1 80 ILE N 2.700 2.200 3.000 2.992 2.855 3.047 0.047 17 0 "[ . 1 . 2]" 2
34 1 76 GLU O 1 80 ILE H 1.700 . 2.000 2.024 1.921 2.063 0.063 17 0 "[ . 1 . 2]" 2
35 1 77 THR O 1 81 THR N 2.700 2.200 3.000 2.869 2.784 2.981 . 0 0 "[ . 1 . 2]" 2
36 1 77 THR O 1 81 THR H 1.700 . 2.000 1.946 1.832 2.027 0.027 5 0 "[ . 1 . 2]" 2
37 1 78 GLU O 1 82 SER N 2.700 2.200 3.000 2.919 2.766 3.019 0.019 5 0 "[ . 1 . 2]" 2
38 1 78 GLU O 1 82 SER H 1.700 . 2.000 2.039 1.943 2.099 0.099 2 0 "[ . 1 . 2]" 2
39 1 79 GLU O 1 83 LEU N 2.700 2.200 3.000 2.981 2.865 3.068 0.068 1 0 "[ . 1 . 2]" 2
40 1 79 GLU O 1 83 LEU H 1.700 . 2.000 2.048 1.982 2.132 0.132 1 0 "[ . 1 . 2]" 2
41 1 80 ILE O 1 84 TRP N 2.700 2.200 3.000 2.918 2.803 3.034 0.034 6 0 "[ . 1 . 2]" 2
42 1 80 ILE O 1 84 TRP H 1.700 . 2.000 1.976 1.885 2.087 0.087 6 0 "[ . 1 . 2]" 2
43 1 81 THR O 1 85 GLN N 2.700 2.200 3.000 2.825 2.727 2.949 . 0 0 "[ . 1 . 2]" 2
44 1 81 THR O 1 85 GLN H 1.700 . 2.000 1.919 1.812 2.055 0.055 9 0 "[ . 1 . 2]" 2
45 1 82 SER O 1 86 GLY N 2.700 2.200 3.000 2.945 2.741 3.041 0.041 20 0 "[ . 1 . 2]" 2
46 1 82 SER O 1 86 GLY H 1.700 . 2.000 2.029 1.937 2.088 0.088 11 0 "[ . 1 . 2]" 2
47 1 83 LEU O 1 87 SER N 2.700 2.200 3.000 2.826 2.686 2.997 . 0 0 "[ . 1 . 2]" 2
48 1 83 LEU O 1 87 SER H 1.700 . 2.000 2.042 1.906 2.084 0.084 15 0 "[ . 1 . 2]" 2
49 1 84 TRP O 1 88 LEU N 2.700 2.200 3.000 2.771 2.654 2.926 . 0 0 "[ . 1 . 2]" 2
50 1 84 TRP O 1 88 LEU H 1.700 . 2.000 1.858 1.768 2.024 0.024 11 0 "[ . 1 . 2]" 2
51 1 115 ALA O 1 119 LYS N 2.700 2.200 3.000 2.972 2.834 3.043 0.043 14 0 "[ . 1 . 2]" 2
52 1 115 ALA O 1 119 LYS H 1.700 . 2.000 2.036 1.903 2.108 0.108 14 0 "[ . 1 . 2]" 2
53 1 116 TRP O 1 120 ASP N 2.700 2.200 3.000 2.884 2.761 3.010 0.010 16 0 "[ . 1 . 2]" 2
54 1 116 TRP O 1 120 ASP H 1.700 . 2.000 1.964 1.844 2.041 0.041 12 0 "[ . 1 . 2]" 2
55 1 117 GLU O 1 121 PHE N 2.700 2.200 3.000 2.929 2.849 3.017 0.017 5 0 "[ . 1 . 2]" 2
56 1 117 GLU O 1 121 PHE H 1.700 . 2.000 2.048 1.998 2.106 0.106 5 0 "[ . 1 . 2]" 2
57 1 118 ILE O 1 122 LEU N 2.700 2.200 3.000 2.834 2.710 2.926 . 0 0 "[ . 1 . 2]" 2
58 1 118 ILE O 1 122 LEU H 1.700 . 2.000 1.911 1.739 2.036 0.036 18 0 "[ . 1 . 2]" 2
59 1 119 LYS O 1 123 VAL N 2.700 2.200 3.000 2.976 2.855 3.074 0.074 4 0 "[ . 1 . 2]" 2
60 1 119 LYS O 1 123 VAL H 1.700 . 2.000 2.040 1.932 2.121 0.121 4 0 "[ . 1 . 2]" 2
61 1 120 ASP O 1 124 SER N 2.700 2.200 3.000 2.791 2.636 2.974 . 0 0 "[ . 1 . 2]" 2
62 1 120 ASP O 1 124 SER H 1.700 . 2.000 2.099 1.992 2.198 0.198 15 0 "[ . 1 . 2]" 2
63 1 4 ARG O 1 8 ASP N 2.700 2.200 3.000 2.917 2.790 3.029 0.029 2 0 "[ . 1 . 2]" 2
64 1 4 ARG O 1 8 ASP H 1.700 . 2.000 1.989 1.835 2.090 0.090 7 0 "[ . 1 . 2]" 2
65 1 5 ASP O 1 9 ALA N 2.700 2.200 3.000 2.930 2.813 3.067 0.067 11 0 "[ . 1 . 2]" 2
66 1 5 ASP O 1 9 ALA H 1.700 . 2.000 2.064 1.968 2.168 0.168 9 0 "[ . 1 . 2]" 2
67 1 6 TYR O 1 10 ASP N 2.700 2.200 3.000 2.792 2.671 2.909 . 0 0 "[ . 1 . 2]" 2
68 1 6 TYR O 1 10 ASP H 1.700 . 2.000 2.049 1.873 2.136 0.136 20 0 "[ . 1 . 2]" 2
69 1 7 ASN O 1 11 MET N 2.700 2.200 3.000 2.960 2.815 3.043 0.043 7 0 "[ . 1 . 2]" 2
70 1 7 ASN O 1 11 MET H 1.700 . 2.000 2.154 2.055 2.223 0.223 17 0 "[ . 1 . 2]" 2
71 1 8 ASP O 1 12 ALA N 2.700 2.200 3.000 3.023 2.970 3.062 0.062 3 0 "[ . 1 . 2]" 2
72 1 8 ASP O 1 12 ALA H 1.700 . 2.000 2.137 2.088 2.202 0.202 8 0 "[ . 1 . 2]" 2
73 1 9 ALA O 1 13 ARG N 2.700 2.200 3.000 2.961 2.847 3.016 0.016 8 0 "[ . 1 . 2]" 2
74 1 9 ALA O 1 13 ARG H 1.700 . 2.000 2.039 1.906 2.100 0.100 8 0 "[ . 1 . 2]" 2
75 1 10 ASP O 1 14 LEU N 2.700 2.200 3.000 2.873 2.648 3.081 0.081 9 0 "[ . 1 . 2]" 2
76 1 10 ASP O 1 14 LEU H 1.700 . 2.000 2.044 1.967 2.137 0.137 17 0 "[ . 1 . 2]" 2
77 1 11 MET O 1 15 LEU N 2.700 2.200 3.000 2.867 2.771 3.029 0.029 10 0 "[ . 1 . 2]" 2
78 1 11 MET O 1 15 LEU H 1.700 . 2.000 1.921 1.806 2.121 0.121 19 0 "[ . 1 . 2]" 2
79 1 12 ALA O 1 16 GLU N 2.700 2.200 3.000 2.844 2.758 2.971 . 0 0 "[ . 1 . 2]" 2
80 1 12 ALA O 1 16 GLU H 1.700 . 2.000 2.049 2.009 2.101 0.101 19 0 "[ . 1 . 2]" 2
81 1 16 GLU O 1 20 LYS N 2.700 2.200 3.000 2.990 2.861 3.118 0.118 17 0 "[ . 1 . 2]" 2
82 1 16 GLU O 1 20 LYS H 1.700 . 2.000 2.045 1.930 2.146 0.146 17 0 "[ . 1 . 2]" 2
83 1 17 GLN O 1 21 ASP N 2.700 2.200 3.000 2.740 2.509 2.919 . 0 0 "[ . 1 . 2]" 2
84 1 17 GLN O 1 21 ASP H 1.700 . 2.000 1.844 1.760 1.955 . 0 0 "[ . 1 . 2]" 2
85 1 18 TRP O 1 22 ASP N 2.700 2.200 3.000 3.018 2.877 3.078 0.078 18 0 "[ . 1 . 2]" 2
86 1 18 TRP O 1 22 ASP H 1.700 . 2.000 2.062 2.003 2.111 0.111 14 0 "[ . 1 . 2]" 2
87 1 19 GLU O 1 23 ASP N 2.700 2.200 3.000 2.941 2.773 3.006 0.006 16 0 "[ . 1 . 2]" 2
88 1 19 GLU O 1 23 ASP H 1.700 . 2.000 2.014 1.918 2.073 0.073 17 0 "[ . 1 . 2]" 2
89 1 20 LYS O 1 24 ILE N 2.700 2.200 3.000 2.782 2.646 2.941 . 0 0 "[ . 1 . 2]" 2
90 1 20 LYS O 1 24 ILE H 1.700 . 2.000 1.888 1.792 2.024 0.024 11 0 "[ . 1 . 2]" 2
91 1 21 ASP O 1 25 GLU N 2.700 2.200 3.000 2.911 2.726 3.015 0.015 7 0 "[ . 1 . 2]" 2
92 1 21 ASP O 1 25 GLU H 1.700 . 2.000 1.996 1.822 2.115 0.115 18 0 "[ . 1 . 2]" 2
93 1 22 ASP O 1 26 GLU N 2.700 2.200 3.000 2.901 2.756 3.011 0.011 10 0 "[ . 1 . 2]" 2
94 1 22 ASP O 1 26 GLU H 1.700 . 2.000 2.039 1.894 2.129 0.129 15 0 "[ . 1 . 2]" 2
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