NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412516 |
2bbm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2bbm
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 1290
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 6.938
_Distance_constraint_stats_list.Viol_max 0.304
_Distance_constraint_stats_list.Viol_rms 0.0283
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.1119
_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 ASP 0.067 0.067 1 0 "[ ]"
1 3 GLN 0.161 0.094 1 0 "[ ]"
1 4 LEU 0.094 0.094 1 0 "[ ]"
1 5 THR 0.000 0.000 . 0 "[ ]"
1 6 GLU 0.000 0.000 . 0 "[ ]"
1 7 GLU 0.175 0.175 1 0 "[ ]"
1 8 GLN 0.000 0.000 . 0 "[ ]"
1 9 ILE 0.080 0.080 1 0 "[ ]"
1 10 ALA 0.135 0.135 1 0 "[ ]"
1 11 GLU 0.000 0.000 . 0 "[ ]"
1 12 PHE 0.079 0.079 1 0 "[ ]"
1 13 LYS 0.079 0.079 1 0 "[ ]"
1 14 GLU 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.000 0.000 . 0 "[ ]"
1 16 PHE 0.000 0.000 . 0 "[ ]"
1 17 SER 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.226 0.226 1 0 "[ ]"
1 19 PHE 0.000 0.000 . 0 "[ ]"
1 20 ASP 0.000 0.000 . 0 "[ ]"
1 21 LYS 0.286 0.217 1 0 "[ ]"
1 22 ASP 0.068 0.068 1 0 "[ ]"
1 23 GLY 0.052 0.052 1 0 "[ ]"
1 24 ASP 0.052 0.052 1 0 "[ ]"
1 25 GLY 0.000 0.000 . 0 "[ ]"
1 26 THR 0.337 0.213 1 0 "[ ]"
1 27 ILE 0.000 0.000 . 0 "[ ]"
1 28 THR 0.052 0.052 1 0 "[ ]"
1 29 THR 0.027 0.027 1 0 "[ ]"
1 30 LYS 0.000 0.000 . 0 "[ ]"
1 31 GLU 0.143 0.143 1 0 "[ ]"
1 32 LEU 0.169 0.143 1 0 "[ ]"
1 33 GLY 0.000 0.000 . 0 "[ ]"
1 34 THR 0.057 0.057 1 0 "[ ]"
1 35 VAL 0.000 0.000 . 0 "[ ]"
1 36 MET 0.048 0.048 1 0 "[ ]"
1 37 ARG 0.219 0.154 1 0 "[ ]"
1 38 SER 0.064 0.064 1 0 "[ ]"
1 39 LEU 0.064 0.064 1 0 "[ ]"
1 40 GLY 0.000 0.000 . 0 "[ ]"
1 41 GLN 0.065 0.065 1 0 "[ ]"
1 42 ASN 0.000 0.000 . 0 "[ ]"
1 43 PRO 0.159 0.159 1 0 "[ ]"
1 44 THR 0.159 0.159 1 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 ALA 0.082 0.082 1 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
1 49 GLN 0.005 0.005 1 0 "[ ]"
1 50 ASP 0.000 0.000 . 0 "[ ]"
1 51 MET 0.157 0.157 1 0 "[ ]"
1 52 ILE 0.005 0.005 1 0 "[ ]"
1 53 ASN 0.000 0.000 . 0 "[ ]"
1 54 GLU 0.148 0.148 1 0 "[ ]"
1 55 VAL 0.106 0.106 1 0 "[ ]"
1 56 ASP 0.000 0.000 . 0 "[ ]"
1 57 ALA 0.153 0.153 1 0 "[ ]"
1 58 ASP 0.126 0.126 1 0 "[ ]"
1 59 GLY 0.019 0.019 1 0 "[ ]"
1 60 ASN 0.019 0.019 1 0 "[ ]"
1 61 GLY 0.000 0.000 . 0 "[ ]"
1 62 THR 0.052 0.052 1 0 "[ ]"
1 63 ILE 0.000 0.000 . 0 "[ ]"
1 64 ASP 0.124 0.124 1 0 "[ ]"
1 65 PHE 0.000 0.000 . 0 "[ ]"
1 66 PRO 0.000 0.000 . 0 "[ ]"
1 67 GLU 0.000 0.000 . 0 "[ ]"
1 68 PHE 0.000 0.000 . 0 "[ ]"
1 69 LEU 0.000 0.000 . 0 "[ ]"
1 70 THR 0.013 0.013 1 0 "[ ]"
1 71 MET 0.041 0.028 1 0 "[ ]"
1 72 MET 0.028 0.028 1 0 "[ ]"
1 73 ALA 0.195 0.195 1 0 "[ ]"
1 74 ARG 0.195 0.195 1 0 "[ ]"
1 75 LYS 0.000 0.000 . 0 "[ ]"
1 76 MET 0.000 0.000 . 0 "[ ]"
1 77 LYS 0.061 0.061 1 0 "[ ]"
1 78 ASP 0.061 0.061 1 0 "[ ]"
1 79 THR 0.000 0.000 . 0 "[ ]"
1 80 ASP 0.000 0.000 . 0 "[ ]"
1 81 SER 0.000 0.000 . 0 "[ ]"
1 82 GLU 0.000 0.000 . 0 "[ ]"
1 83 GLU 0.085 0.085 1 0 "[ ]"
1 84 GLU 0.085 0.085 1 0 "[ ]"
1 85 ILE 0.000 0.000 . 0 "[ ]"
1 86 ARG 0.000 0.000 . 0 "[ ]"
1 87 GLU 0.188 0.121 1 0 "[ ]"
1 88 ALA 0.090 0.090 1 0 "[ ]"
1 89 PHE 0.090 0.090 1 0 "[ ]"
1 90 ARG 0.165 0.121 1 0 "[ ]"
1 91 VAL 0.000 0.000 . 0 "[ ]"
1 92 PHE 0.000 0.000 . 0 "[ ]"
1 93 ASP 0.000 0.000 . 0 "[ ]"
1 94 LYS 0.109 0.109 1 0 "[ ]"
1 95 ASP 0.000 0.000 . 0 "[ ]"
1 96 GLY 0.000 0.000 . 0 "[ ]"
1 97 ASN 0.000 0.000 . 0 "[ ]"
1 98 GLY 0.000 0.000 . 0 "[ ]"
1 99 PHE 0.000 0.000 . 0 "[ ]"
1 100 ILE 0.000 0.000 . 0 "[ ]"
1 101 SER 0.000 0.000 . 0 "[ ]"
1 102 ALA 0.334 0.208 1 0 "[ ]"
1 103 ALA 0.397 0.208 1 0 "[ ]"
1 104 GLU 0.088 0.053 1 0 "[ ]"
1 105 LEU 0.000 0.000 . 0 "[ ]"
1 106 ARG 0.000 0.000 . 0 "[ ]"
1 107 HIS 0.000 0.000 . 0 "[ ]"
1 108 VAL 0.271 0.271 1 0 "[ ]"
1 109 MET 0.000 0.000 . 0 "[ ]"
1 110 THR 0.304 0.304 1 0 "[ ]"
1 111 ASN 0.000 0.000 . 0 "[ ]"
1 112 LEU 0.131 0.131 1 0 "[ ]"
1 113 GLY 0.131 0.131 1 0 "[ ]"
1 114 GLU 0.000 0.000 . 0 "[ ]"
1 115 LYS 0.000 0.000 . 0 "[ ]"
1 116 LEU 0.267 0.267 1 0 "[ ]"
1 117 THR 0.000 0.000 . 0 "[ ]"
1 118 ASP 0.125 0.125 1 0 "[ ]"
1 119 GLU 0.277 0.151 1 0 "[ ]"
1 120 GLU 0.000 0.000 . 0 "[ ]"
1 121 VAL 0.055 0.055 1 0 "[ ]"
1 122 ASP 0.065 0.065 1 0 "[ ]"
1 123 GLU 0.309 0.164 1 0 "[ ]"
1 124 MET 0.164 0.164 1 0 "[ ]"
1 125 ILE 0.000 0.000 . 0 "[ ]"
1 126 ARG 0.078 0.078 1 0 "[ ]"
1 127 GLU 0.070 0.070 1 0 "[ ]"
1 128 ALA 0.000 0.000 . 0 "[ ]"
1 129 ASP 0.000 0.000 . 0 "[ ]"
1 130 ILE 0.000 0.000 . 0 "[ ]"
1 131 ASP 0.000 0.000 . 0 "[ ]"
1 132 GLY 0.000 0.000 . 0 "[ ]"
1 133 ASP 0.000 0.000 . 0 "[ ]"
1 134 GLY 0.000 0.000 . 0 "[ ]"
1 135 GLN 0.000 0.000 . 0 "[ ]"
1 136 VAL 0.000 0.000 . 0 "[ ]"
1 137 ASN 0.000 0.000 . 0 "[ ]"
1 138 TYR 0.000 0.000 . 0 "[ ]"
1 139 GLU 0.131 0.131 1 0 "[ ]"
1 140 GLU 0.170 0.170 1 0 "[ ]"
1 141 PHE 0.170 0.170 1 0 "[ ]"
1 142 VAL 0.000 0.000 . 0 "[ ]"
1 143 THR 0.010 0.010 1 0 "[ ]"
1 144 MET 0.229 0.219 1 0 "[ ]"
1 145 MET 0.000 0.000 . 0 "[ ]"
1 146 THR 0.095 0.073 1 0 "[ ]"
1 147 SER 0.000 0.000 . 0 "[ ]"
1 148 LYS 0.073 0.073 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 3 GLN HA 1 3 GLN QB 2.500 . 3.700 2.312 2.312 2.312 . 0 0 "[ ]" 1
2 1 3 GLN HA 1 3 GLN QG 3.000 . 3.900 2.603 2.603 2.603 . 0 0 "[ ]" 1
3 1 3 GLN H 1 3 GLN QB 2.500 . 3.300 2.676 2.676 2.676 . 0 0 "[ ]" 1
4 1 3 GLN H 1 3 GLN QG 3.000 . 4.300 1.876 1.876 1.876 . 0 0 "[ ]" 1
5 1 4 LEU H 1 4 LEU QB 3.000 . 3.900 2.429 2.429 2.429 . 0 0 "[ ]" 1
6 1 4 LEU H 1 4 LEU QD 4.000 . 6.700 1.758 1.758 1.758 . 0 0 "[ ]" 1
7 1 4 LEU H 1 4 LEU HA 3.000 . 3.300 2.943 2.943 2.943 . 0 0 "[ ]" 1
8 1 4 LEU HA 1 4 LEU QB 2.500 . 3.700 2.380 2.380 2.380 . 0 0 "[ ]" 1
9 1 4 LEU HA 1 4 LEU QD 2.500 . 4.400 3.030 3.030 3.030 . 0 0 "[ ]" 1
10 1 4 LEU QB 1 4 LEU QD 2.500 . 5.400 1.883 1.883 1.883 . 0 0 "[ ]" 1
11 1 5 THR H 1 5 THR HA 3.000 . 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 1
12 1 5 THR H 1 5 THR MG 2.500 . 4.200 2.378 2.378 2.378 . 0 0 "[ ]" 1
13 1 5 THR H 1 5 THR HB 4.000 . 5.000 3.666 3.666 3.666 . 0 0 "[ ]" 1
14 1 5 THR HA 1 5 THR HB 2.500 . 2.700 2.535 2.535 2.535 . 0 0 "[ ]" 1
15 1 5 THR HA 1 5 THR MG 2.500 . 3.800 2.469 2.469 2.469 . 0 0 "[ ]" 1
16 1 6 GLU H 1 6 GLU HA 2.500 . 2.700 2.354 2.354 2.354 . 0 0 "[ ]" 1
17 1 6 GLU H 1 6 GLU QB 4.000 2.200 5.600 3.224 3.224 3.224 . 0 0 "[ ]" 1
18 1 6 GLU H 1 6 GLU QG 3.000 . 4.300 2.670 2.670 2.670 . 0 0 "[ ]" 1
19 1 6 GLU HA 1 6 GLU QB 2.500 . 3.700 2.418 2.418 2.418 . 0 0 "[ ]" 1
20 1 7 GLU H 1 7 GLU QG 4.000 . 6.000 2.944 2.944 2.944 . 0 0 "[ ]" 1
21 1 7 GLU H 1 7 GLU QB 2.500 . 3.300 2.154 2.154 2.154 . 0 0 "[ ]" 1
22 1 7 GLU H 1 7 GLU HA 2.500 . 2.700 2.875 2.875 2.875 0.175 1 0 "[ ]" 1
23 1 7 GLU HA 1 7 GLU QB 2.500 . 3.700 2.505 2.505 2.505 . 0 0 "[ ]" 1
24 1 7 GLU HA 1 7 GLU QG 2.500 . 3.300 2.190 2.190 2.190 . 0 0 "[ ]" 1
25 1 8 GLN H 1 8 GLN HA 3.000 . 3.300 2.858 2.858 2.858 . 0 0 "[ ]" 1
26 1 8 GLN H 1 8 GLN QB 3.000 . 3.900 2.468 2.468 2.468 . 0 0 "[ ]" 1
27 1 8 GLN H 1 8 GLN QG 3.000 . 4.300 2.168 2.168 2.168 . 0 0 "[ ]" 1
28 1 8 GLN HA 1 8 GLN QB 2.500 . 3.700 2.378 2.378 2.378 . 0 0 "[ ]" 1
29 1 8 GLN HA 1 8 GLN QG 3.000 . 3.900 2.297 2.297 2.297 . 0 0 "[ ]" 1
30 1 9 ILE H 1 9 ILE HA 2.500 . 2.700 2.780 2.780 2.780 0.080 1 0 "[ ]" 1
31 1 9 ILE H 1 9 ILE HB 3.000 . 3.300 2.689 2.689 2.689 . 0 0 "[ ]" 1
32 1 9 ILE H 1 9 ILE QG 3.000 . 4.300 1.772 1.772 1.772 . 0 0 "[ ]" 1
33 1 9 ILE H 1 9 ILE MG 3.000 . 4.800 3.773 3.773 3.773 . 0 0 "[ ]" 1
34 1 9 ILE H 1 9 ILE MD 4.000 . 6.500 3.441 3.441 3.441 . 0 0 "[ ]" 1
35 1 9 ILE HA 1 9 ILE MG 2.500 . 3.800 2.407 2.407 2.407 . 0 0 "[ ]" 1
36 1 9 ILE HA 1 9 ILE MD 3.000 . 4.800 3.850 3.850 3.850 . 0 0 "[ ]" 1
37 1 9 ILE HB 1 9 ILE QG 2.500 . 3.700 2.398 2.398 2.398 . 0 0 "[ ]" 1
38 1 9 ILE HB 1 9 ILE MD 2.500 . 4.200 2.258 2.258 2.258 . 0 0 "[ ]" 1
39 1 9 ILE QG 1 9 ILE MG 3.000 . 5.800 2.216 2.216 2.216 . 0 0 "[ ]" 1
40 1 9 ILE MD 1 9 ILE MG 3.000 . 6.300 2.105 2.105 2.105 . 0 0 "[ ]" 1
41 1 10 ALA H 1 10 ALA HA 2.500 . 2.700 2.835 2.835 2.835 0.135 1 0 "[ ]" 1
42 1 10 ALA H 1 10 ALA MB 2.500 . 3.800 2.112 2.112 2.112 . 0 0 "[ ]" 1
43 1 11 GLU H 1 11 GLU HA 3.000 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 1
44 1 11 GLU H 1 11 GLU QB 2.500 . 3.300 2.112 2.112 2.112 . 0 0 "[ ]" 1
45 1 11 GLU H 1 11 GLU QG 3.000 . 4.300 3.160 3.160 3.160 . 0 0 "[ ]" 1
46 1 12 PHE H 1 12 PHE QD 4.000 . 7.000 3.015 3.015 3.015 . 0 0 "[ ]" 1
47 1 12 PHE H 1 12 PHE QB 3.000 . 3.900 2.589 2.589 2.589 . 0 0 "[ ]" 1
48 1 12 PHE HA 1 12 PHE QD 4.000 . 7.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
49 1 13 LYS H 1 13 LYS QG 4.000 . 6.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
50 1 13 LYS H 1 13 LYS QB 2.500 . 3.300 2.066 2.066 2.066 . 0 0 "[ ]" 1
51 1 13 LYS HA 1 13 LYS QB 2.500 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1
52 1 13 LYS HA 1 13 LYS QG 3.000 . 3.900 2.170 2.170 2.170 . 0 0 "[ ]" 1
53 1 13 LYS HA 1 13 LYS QD 4.000 . 6.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
54 1 13 LYS QB 1 13 LYS QE 4.000 . 7.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
55 1 14 GLU H 1 14 GLU QG 4.000 . 6.000 3.161 3.161 3.161 . 0 0 "[ ]" 1
56 1 14 GLU H 1 14 GLU HA 3.000 . 3.300 2.818 2.818 2.818 . 0 0 "[ ]" 1
57 1 15 ALA H 1 15 ALA HA 3.000 . 3.300 2.862 2.862 2.862 . 0 0 "[ ]" 1
58 1 15 ALA H 1 15 ALA MB 2.500 . 3.800 2.066 2.066 2.066 . 0 0 "[ ]" 1
59 1 16 PHE H 1 16 PHE QE 4.000 . 7.000 5.223 5.223 5.223 . 0 0 "[ ]" 1
60 1 16 PHE H 1 16 PHE QD 4.000 . 7.000 2.990 2.990 2.990 . 0 0 "[ ]" 1
61 1 16 PHE H 1 16 PHE QB 2.500 . 3.300 2.085 2.085 2.085 . 0 0 "[ ]" 1
62 1 16 PHE HA 1 16 PHE QB 2.500 . 3.700 2.537 2.537 2.537 . 0 0 "[ ]" 1
63 1 16 PHE HA 1 16 PHE QD 4.000 . 7.000 2.296 2.296 2.296 . 0 0 "[ ]" 1
64 1 17 SER H 1 17 SER HA 3.000 . 3.300 2.900 2.900 2.900 . 0 0 "[ ]" 1
65 1 17 SER H 1 17 SER QB 3.000 . 3.900 2.469 2.469 2.469 . 0 0 "[ ]" 1
66 1 17 SER HA 1 17 SER QB 2.500 . 3.700 2.371 2.371 2.371 . 0 0 "[ ]" 1
67 1 18 LEU H 1 18 LEU QD 4.000 . 6.700 3.763 3.763 3.763 . 0 0 "[ ]" 1
68 1 18 LEU H 1 18 LEU HA 2.500 . 2.700 2.926 2.926 2.926 0.226 1 0 "[ ]" 1
69 1 18 LEU H 1 18 LEU QB 2.500 . 3.300 2.292 2.292 2.292 . 0 0 "[ ]" 1
70 1 18 LEU H 1 18 LEU HG 4.000 . 5.000 4.379 4.379 4.379 . 0 0 "[ ]" 1
71 1 18 LEU HA 1 18 LEU QB 2.500 . 3.700 2.349 2.349 2.349 . 0 0 "[ ]" 1
72 1 18 LEU HA 1 18 LEU HG 4.000 . 5.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
73 1 18 LEU HA 1 18 LEU QD 2.500 . 4.400 2.085 2.085 2.085 . 0 0 "[ ]" 1
74 1 20 ASP H 1 20 ASP QB 2.500 . 3.300 2.315 2.315 2.315 . 0 0 "[ ]" 1
75 1 21 LYS H 1 21 LYS HA 2.500 . 2.700 2.917 2.917 2.917 0.217 1 0 "[ ]" 1
76 1 21 LYS H 1 21 LYS QB 2.500 . 3.300 2.467 2.467 2.467 . 0 0 "[ ]" 1
77 1 21 LYS H 1 21 LYS QG 3.000 . 4.300 2.243 2.243 2.243 . 0 0 "[ ]" 1
78 1 21 LYS H 1 21 LYS QD 3.000 . 4.300 3.673 3.673 3.673 . 0 0 "[ ]" 1
79 1 21 LYS HA 1 21 LYS QD 4.000 . 6.000 4.032 4.032 4.032 . 0 0 "[ ]" 1
80 1 22 ASP H 1 22 ASP QB 2.500 . 3.300 2.896 2.896 2.896 . 0 0 "[ ]" 1
81 1 22 ASP HA 1 22 ASP QB 2.500 . 3.700 2.192 2.192 2.192 . 0 0 "[ ]" 1
82 1 24 ASP H 1 24 ASP QB 2.500 . 3.300 2.982 2.982 2.982 . 0 0 "[ ]" 1
83 1 24 ASP H 1 24 ASP HA 3.000 . 3.300 2.945 2.945 2.945 . 0 0 "[ ]" 1
84 1 24 ASP HA 1 24 ASP QB 2.500 . 3.700 2.170 2.170 2.170 . 0 0 "[ ]" 1
85 1 26 THR H 1 26 THR HA 2.500 . 2.700 2.913 2.913 2.913 0.213 1 0 "[ ]" 1
86 1 26 THR H 1 26 THR MG 3.000 . 4.800 3.145 3.145 3.145 . 0 0 "[ ]" 1
87 1 26 THR HA 1 26 THR HB 2.500 . 2.700 2.549 2.549 2.549 . 0 0 "[ ]" 1
88 1 26 THR HA 1 26 THR MG 2.500 . 3.800 2.386 2.386 2.386 . 0 0 "[ ]" 1
89 1 27 ILE H 1 27 ILE HB 3.000 . 3.300 2.342 2.342 2.342 . 0 0 "[ ]" 1
90 1 27 ILE HA 1 27 ILE MG 2.500 . 3.800 2.542 2.542 2.542 . 0 0 "[ ]" 1
91 1 27 ILE HA 1 27 ILE MD 3.000 . 4.800 2.231 2.231 2.231 . 0 0 "[ ]" 1
92 1 27 ILE MD 1 27 ILE MG 2.500 . 5.700 1.941 1.941 1.941 . 0 0 "[ ]" 1
93 1 27 ILE HB 1 27 ILE MD 2.500 . 4.200 3.225 3.225 3.225 . 0 0 "[ ]" 1
94 1 28 THR H 1 28 THR MG 3.000 . 4.800 3.943 3.943 3.943 . 0 0 "[ ]" 1
95 1 28 THR HA 1 28 THR MG 2.500 . 3.800 2.259 2.259 2.259 . 0 0 "[ ]" 1
96 1 29 THR H 1 29 THR HB 4.000 . 5.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
97 1 29 THR H 1 29 THR HA 3.000 . 3.300 2.829 2.829 2.829 . 0 0 "[ ]" 1
98 1 29 THR H 1 29 THR MG 3.000 . 4.800 2.258 2.258 2.258 . 0 0 "[ ]" 1
99 1 29 THR HA 1 29 THR HB 2.500 . 2.700 2.581 2.581 2.581 . 0 0 "[ ]" 1
100 1 29 THR HA 1 29 THR MG 2.500 . 3.800 2.298 2.298 2.298 . 0 0 "[ ]" 1
101 1 30 LYS H 1 30 LYS HA 3.000 . 3.300 2.903 2.903 2.903 . 0 0 "[ ]" 1
102 1 30 LYS H 1 30 LYS QB 2.500 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 1
103 1 30 LYS HA 1 30 LYS QB 2.500 . 3.700 2.518 2.518 2.518 . 0 0 "[ ]" 1
104 1 30 LYS HA 1 30 LYS QG 3.000 . 3.900 2.166 2.166 2.166 . 0 0 "[ ]" 1
105 1 30 LYS HA 1 30 LYS QD 4.000 . 6.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
106 1 31 GLU H 1 31 GLU HA 3.000 . 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 1
107 1 31 GLU H 1 31 GLU QB 3.000 . 3.900 2.359 2.359 2.359 . 0 0 "[ ]" 1
108 1 32 LEU H 1 32 LEU HG 4.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
109 1 32 LEU H 1 32 LEU QD 4.000 . 6.700 3.691 3.691 3.691 . 0 0 "[ ]" 1
110 1 32 LEU H 1 32 LEU QB 3.000 . 3.900 2.262 2.262 2.262 . 0 0 "[ ]" 1
111 1 32 LEU HA 1 32 LEU QB 2.500 . 3.700 2.432 2.432 2.432 . 0 0 "[ ]" 1
112 1 32 LEU HA 1 32 LEU HG 3.000 . 3.300 2.366 2.366 2.366 . 0 0 "[ ]" 1
113 1 32 LEU HA 1 32 LEU QD 2.500 . 4.400 2.501 2.501 2.501 . 0 0 "[ ]" 1
114 1 32 LEU QB 1 32 LEU QD 2.500 . 5.400 1.864 1.864 1.864 . 0 0 "[ ]" 1
115 1 34 THR H 1 34 THR HB 4.000 . 5.000 3.629 3.629 3.629 . 0 0 "[ ]" 1
116 1 34 THR H 1 34 THR HA 2.500 . 2.700 2.757 2.757 2.757 0.057 1 0 "[ ]" 1
117 1 34 THR HA 1 34 THR HB 2.500 . 2.700 2.601 2.601 2.601 . 0 0 "[ ]" 1
118 1 34 THR HA 1 34 THR MG 2.500 . 3.800 2.338 2.338 2.338 . 0 0 "[ ]" 1
119 1 35 VAL H 1 35 VAL QG 4.000 . 6.700 1.890 1.890 1.890 . 0 0 "[ ]" 1
120 1 35 VAL H 1 35 VAL HA 3.000 . 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 1
121 1 35 VAL H 1 35 VAL HB 2.500 . 2.700 2.560 2.560 2.560 . 0 0 "[ ]" 1
122 1 35 VAL HA 1 35 VAL HB 3.000 . 3.300 3.027 3.027 3.027 . 0 0 "[ ]" 1
123 1 35 VAL HA 1 35 VAL QG 2.500 . 3.300 2.055 2.055 2.055 . 0 0 "[ ]" 1
124 1 36 MET H 1 36 MET QB 2.500 . 3.300 2.213 2.213 2.213 . 0 0 "[ ]" 1
125 1 36 MET H 1 36 MET HA 2.500 . 2.700 2.748 2.748 2.748 0.048 1 0 "[ ]" 1
126 1 36 MET H 1 36 MET QG 3.000 . 4.300 3.899 3.899 3.899 . 0 0 "[ ]" 1
127 1 36 MET HA 1 36 MET QB 2.500 . 3.700 2.438 2.438 2.438 . 0 0 "[ ]" 1
128 1 37 ARG H 1 37 ARG QB 2.500 . 3.300 2.252 2.252 2.252 . 0 0 "[ ]" 1
129 1 37 ARG H 1 37 ARG HA 2.500 . 2.700 2.854 2.854 2.854 0.154 1 0 "[ ]" 1
130 1 37 ARG HA 1 37 ARG QB 2.500 . 3.700 2.377 2.377 2.377 . 0 0 "[ ]" 1
131 1 37 ARG HA 1 37 ARG QG 2.500 . 3.300 2.475 2.475 2.475 . 0 0 "[ ]" 1
132 1 37 ARG HA 1 37 ARG QD 4.000 . 6.000 4.062 4.062 4.062 . 0 0 "[ ]" 1
133 1 38 SER H 1 38 SER HA 3.000 . 3.300 2.924 2.924 2.924 . 0 0 "[ ]" 1
134 1 38 SER H 1 38 SER QB 3.000 . 3.900 2.175 2.175 2.175 . 0 0 "[ ]" 1
135 1 38 SER HA 1 38 SER QB 2.500 . 3.700 2.537 2.537 2.537 . 0 0 "[ ]" 1
136 1 39 LEU H 1 39 LEU QD 4.000 . 6.700 3.635 3.635 3.635 . 0 0 "[ ]" 1
137 1 39 LEU H 1 39 LEU HA 3.000 . 3.300 2.985 2.985 2.985 . 0 0 "[ ]" 1
138 1 39 LEU H 1 39 LEU QB 2.500 . 3.300 2.561 2.561 2.561 . 0 0 "[ ]" 1
139 1 39 LEU HA 1 39 LEU QB 2.500 . 3.700 2.532 2.532 2.532 . 0 0 "[ ]" 1
140 1 39 LEU HA 1 39 LEU HG 3.000 . 3.300 2.253 2.253 2.253 . 0 0 "[ ]" 1
141 1 39 LEU HA 1 39 LEU QD 3.000 . 5.000 2.215 2.215 2.215 . 0 0 "[ ]" 1
142 1 39 LEU QB 1 39 LEU QD 2.500 . 5.400 1.778 1.778 1.778 . 0 0 "[ ]" 1
143 1 40 GLY H 1 40 GLY QA 2.500 . 3.300 2.517 2.517 2.517 . 0 0 "[ ]" 1
144 1 41 GLN H 1 41 GLN QB 3.000 . 3.900 3.073 3.073 3.073 . 0 0 "[ ]" 1
145 1 41 GLN H 1 41 GLN QG 4.000 . 6.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
146 1 41 GLN H 1 41 GLN HA 3.000 . 3.300 2.352 2.352 2.352 . 0 0 "[ ]" 1
147 1 41 GLN HA 1 41 GLN QB 2.500 . 3.700 2.533 2.533 2.533 . 0 0 "[ ]" 1
148 1 41 GLN HA 1 41 GLN QG 2.500 . 3.300 2.152 2.152 2.152 . 0 0 "[ ]" 1
149 1 42 ASN H 1 42 ASN QB 3.000 . 3.900 2.547 2.547 2.547 . 0 0 "[ ]" 1
150 1 42 ASN HA 1 42 ASN QB 2.500 . 3.700 2.268 2.268 2.268 . 0 0 "[ ]" 1
151 1 43 PRO HA 1 43 PRO QD 4.000 . 6.000 3.406 3.406 3.406 . 0 0 "[ ]" 1
152 1 44 THR H 1 44 THR HB 4.000 . 5.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
153 1 44 THR H 1 44 THR MG 2.500 . 4.200 2.903 2.903 2.903 . 0 0 "[ ]" 1
154 1 44 THR HA 1 44 THR HB 2.500 . 2.700 2.638 2.638 2.638 . 0 0 "[ ]" 1
155 1 44 THR HA 1 44 THR MG 2.500 . 3.800 2.292 2.292 2.292 . 0 0 "[ ]" 1
156 1 45 GLU H 1 45 GLU HA 3.000 . 3.300 2.967 2.967 2.967 . 0 0 "[ ]" 1
157 1 45 GLU H 1 45 GLU QB 2.500 . 3.300 2.198 2.198 2.198 . 0 0 "[ ]" 1
158 1 45 GLU HA 1 45 GLU QB 2.500 . 3.700 2.510 2.510 2.510 . 0 0 "[ ]" 1
159 1 45 GLU HA 1 45 GLU QG 2.500 . 3.300 2.183 2.183 2.183 . 0 0 "[ ]" 1
160 1 46 ALA H 1 46 ALA HA 2.500 . 2.700 2.782 2.782 2.782 0.082 1 0 "[ ]" 1
161 1 46 ALA H 1 46 ALA MB 2.500 . 3.800 2.044 2.044 2.044 . 0 0 "[ ]" 1
162 1 47 GLU H 1 47 GLU QB 2.500 . 3.300 2.306 2.306 2.306 . 0 0 "[ ]" 1
163 1 47 GLU HA 1 47 GLU QG 3.000 . 3.900 2.210 2.210 2.210 . 0 0 "[ ]" 1
164 1 48 LEU H 1 48 LEU QB 2.500 . 3.300 2.170 2.170 2.170 . 0 0 "[ ]" 1
165 1 48 LEU H 1 48 LEU HA 3.000 . 3.300 2.865 2.865 2.865 . 0 0 "[ ]" 1
166 1 48 LEU H 1 48 LEU QD 4.000 . 6.700 2.070 2.070 2.070 . 0 0 "[ ]" 1
167 1 48 LEU H 1 48 LEU HG 4.000 . 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 1
168 1 48 LEU HA 1 48 LEU QB 2.500 . 3.700 2.517 2.517 2.517 . 0 0 "[ ]" 1
169 1 48 LEU HA 1 48 LEU HG 4.000 . 5.000 2.249 2.249 2.249 . 0 0 "[ ]" 1
170 1 48 LEU HA 1 48 LEU QD 2.500 . 4.400 2.618 2.618 2.618 . 0 0 "[ ]" 1
171 1 49 GLN H 1 49 GLN HA 3.000 . 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 1
172 1 49 GLN H 1 49 GLN QB 3.000 . 3.900 2.237 2.237 2.237 . 0 0 "[ ]" 1
173 1 49 GLN H 1 49 GLN QG 4.000 . 6.000 3.995 3.995 3.995 . 0 0 "[ ]" 1
174 1 49 GLN HA 1 49 GLN QB 2.500 . 3.700 2.439 2.439 2.439 . 0 0 "[ ]" 1
175 1 49 GLN HA 1 49 GLN QG 2.500 . 3.300 2.225 2.225 2.225 . 0 0 "[ ]" 1
176 1 50 ASP HA 1 50 ASP QB 2.500 . 3.700 2.431 2.431 2.431 . 0 0 "[ ]" 1
177 1 51 MET H 1 51 MET QG 3.000 . 4.300 3.592 3.592 3.592 . 0 0 "[ ]" 1
178 1 51 MET H 1 51 MET HA 2.500 . 2.700 2.857 2.857 2.857 0.157 1 0 "[ ]" 1
179 1 51 MET HA 1 51 MET QB 2.500 . 3.700 2.538 2.538 2.538 . 0 0 "[ ]" 1
180 1 51 MET HA 1 51 MET QG 3.000 . 3.900 2.131 2.131 2.131 . 0 0 "[ ]" 1
181 1 51 MET ME 1 51 MET QG 3.000 . 5.800 2.633 2.633 2.633 . 0 0 "[ ]" 1
182 1 52 ILE H 1 52 ILE MG 4.000 . 6.500 3.271 3.271 3.271 . 0 0 "[ ]" 1
183 1 52 ILE H 1 52 ILE MD 4.000 . 6.500 3.549 3.549 3.549 . 0 0 "[ ]" 1
184 1 52 ILE H 1 52 ILE QG 3.000 . 4.300 3.639 3.639 3.639 . 0 0 "[ ]" 1
185 1 52 ILE H 1 52 ILE HB 3.000 . 3.300 2.100 2.100 2.100 . 0 0 "[ ]" 1
186 1 52 ILE HA 1 52 ILE QG 3.000 . 3.900 2.099 2.099 2.099 . 0 0 "[ ]" 1
187 1 52 ILE HA 1 52 ILE MD 2.500 . 4.200 3.554 3.554 3.554 . 0 0 "[ ]" 1
188 1 52 ILE QG 1 52 ILE MG 3.000 . 5.800 2.133 2.133 2.133 . 0 0 "[ ]" 1
189 1 52 ILE HB 1 52 ILE MD 2.500 . 4.200 2.155 2.155 2.155 . 0 0 "[ ]" 1
190 1 53 ASN H 1 53 ASN HA 3.000 . 3.300 2.909 2.909 2.909 . 0 0 "[ ]" 1
191 1 53 ASN H 1 53 ASN QB 2.500 . 3.300 2.107 2.107 2.107 . 0 0 "[ ]" 1
192 1 53 ASN HA 1 53 ASN QB 2.500 . 3.700 2.542 2.542 2.542 . 0 0 "[ ]" 1
193 1 54 GLU H 1 54 GLU QB 3.000 . 3.900 2.083 2.083 2.083 . 0 0 "[ ]" 1
194 1 54 GLU H 1 54 GLU QG 4.000 . 6.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
195 1 54 GLU H 1 54 GLU HA 2.500 . 2.700 2.848 2.848 2.848 0.148 1 0 "[ ]" 1
196 1 54 GLU HA 1 54 GLU QG 3.000 . 3.900 2.157 2.157 2.157 . 0 0 "[ ]" 1
197 1 55 VAL H 1 55 VAL HB 4.000 . 5.000 2.609 2.609 2.609 . 0 0 "[ ]" 1
198 1 55 VAL H 1 55 VAL QG 2.500 . 4.400 2.934 2.934 2.934 . 0 0 "[ ]" 1
199 1 55 VAL HA 1 55 VAL HB 2.500 . 2.700 2.806 2.806 2.806 0.106 1 0 "[ ]" 1
200 1 55 VAL HA 1 55 VAL QG 2.500 . 3.300 2.089 2.089 2.089 . 0 0 "[ ]" 1
201 1 56 ASP H 1 56 ASP HA 3.000 . 3.300 2.839 2.839 2.839 . 0 0 "[ ]" 1
202 1 56 ASP H 1 56 ASP QB 3.000 . 3.900 2.256 2.256 2.256 . 0 0 "[ ]" 1
203 1 57 ALA H 1 57 ALA HA 2.500 . 2.700 2.853 2.853 2.853 0.153 1 0 "[ ]" 1
204 1 57 ALA H 1 57 ALA MB 2.500 . 3.800 2.245 2.245 2.245 . 0 0 "[ ]" 1
205 1 58 ASP H 1 58 ASP QB 2.500 . 3.300 2.913 2.913 2.913 . 0 0 "[ ]" 1
206 1 58 ASP H 1 58 ASP HA 2.500 . 2.700 2.826 2.826 2.826 0.126 1 0 "[ ]" 1
207 1 58 ASP HA 1 58 ASP QB 2.500 . 3.700 2.189 2.189 2.189 . 0 0 "[ ]" 1
208 1 59 GLY H 1 59 GLY QA 2.500 . 3.300 2.475 2.475 2.475 . 0 0 "[ ]" 1
209 1 60 ASN H 1 60 ASN QB 2.500 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 1
210 1 60 ASN H 1 60 ASN HA 3.000 . 3.300 2.822 2.822 2.822 . 0 0 "[ ]" 1
211 1 60 ASN HA 1 60 ASN QB 2.500 . 3.700 2.227 2.227 2.227 . 0 0 "[ ]" 1
212 1 61 GLY H 1 61 GLY QA 2.500 . 3.300 2.258 2.258 2.258 . 0 0 "[ ]" 1
213 1 62 THR H 1 62 THR MG 3.000 . 4.800 2.841 2.841 2.841 . 0 0 "[ ]" 1
214 1 62 THR HA 1 62 THR HB 2.500 . 2.700 2.452 2.452 2.452 . 0 0 "[ ]" 1
215 1 62 THR HA 1 62 THR MG 2.500 . 3.800 2.457 2.457 2.457 . 0 0 "[ ]" 1
216 1 63 ILE H 1 63 ILE MG 4.000 . 6.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
217 1 63 ILE H 1 63 ILE QG 4.000 . 6.000 2.176 2.176 2.176 . 0 0 "[ ]" 1
218 1 63 ILE H 1 63 ILE MD 4.000 . 6.500 3.862 3.862 3.862 . 0 0 "[ ]" 1
219 1 63 ILE H 1 63 ILE HB 3.000 . 3.800 2.969 2.969 2.969 . 0 0 "[ ]" 1
220 1 63 ILE HA 1 63 ILE MD 4.000 . 6.500 3.726 3.726 3.726 . 0 0 "[ ]" 1
221 1 63 ILE HB 1 63 ILE MD 2.500 . 4.200 2.433 2.433 2.433 . 0 0 "[ ]" 1
222 1 63 ILE MD 1 63 ILE MG 2.500 . 5.700 1.909 1.909 1.909 . 0 0 "[ ]" 1
223 1 64 ASP H 1 64 ASP QB 2.500 . 3.300 2.398 2.398 2.398 . 0 0 "[ ]" 1
224 1 64 ASP HA 1 64 ASP QB 2.500 . 3.700 2.446 2.446 2.446 . 0 0 "[ ]" 1
225 1 65 PHE H 1 65 PHE QE 4.000 . 7.000 5.200 5.200 5.200 . 0 0 "[ ]" 1
226 1 65 PHE H 1 65 PHE QD 4.000 . 7.000 3.391 3.391 3.391 . 0 0 "[ ]" 1
227 1 65 PHE H 1 65 PHE QB 2.500 . 3.300 2.160 2.160 2.160 . 0 0 "[ ]" 1
228 1 65 PHE HA 1 65 PHE QB 2.500 . 3.700 2.491 2.491 2.491 . 0 0 "[ ]" 1
229 1 65 PHE HA 1 65 PHE QD 4.000 . 7.000 2.001 2.001 2.001 . 0 0 "[ ]" 1
230 1 66 PRO HA 1 66 PRO QG 3.000 . 3.900 3.450 3.450 3.450 . 0 0 "[ ]" 1
231 1 66 PRO HA 1 69 LEU QB 4.000 . 6.000 2.783 2.783 2.783 . 0 0 "[ ]" 1
232 1 66 PRO HA 1 69 LEU QD 4.000 . 7.400 3.294 3.294 3.294 . 0 0 "[ ]" 1
233 1 67 GLU H 1 67 GLU QB 2.500 . 3.300 2.229 2.229 2.229 . 0 0 "[ ]" 1
234 1 67 GLU HA 1 67 GLU QB 2.500 . 3.700 2.466 2.466 2.466 . 0 0 "[ ]" 1
235 1 68 PHE H 1 68 PHE QD 4.000 . 7.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
236 1 68 PHE H 1 68 PHE QB 3.500 . 4.600 2.302 2.302 2.302 . 0 0 "[ ]" 1
237 1 69 LEU H 1 69 LEU QB 3.000 . 3.900 2.174 2.174 2.174 . 0 0 "[ ]" 1
238 1 69 LEU H 1 69 LEU HG 3.500 . 4.000 2.876 2.876 2.876 . 0 0 "[ ]" 1
239 1 69 LEU H 1 69 LEU QD 4.000 . 6.700 3.432 3.432 3.432 . 0 0 "[ ]" 1
240 1 69 LEU HA 1 69 LEU QB 2.500 . 3.700 2.529 2.529 2.529 . 0 0 "[ ]" 1
241 1 69 LEU HA 1 69 LEU HG 4.000 . 5.000 2.529 2.529 2.529 . 0 0 "[ ]" 1
242 1 69 LEU HA 1 69 LEU QD 4.000 . 6.700 2.610 2.610 2.610 . 0 0 "[ ]" 1
243 1 70 THR H 1 70 THR MG 4.000 . 5.500 3.765 3.765 3.765 . 0 0 "[ ]" 1
244 1 70 THR H 1 70 THR HB 3.000 . 3.800 2.553 2.553 2.553 . 0 0 "[ ]" 1
245 1 70 THR H 1 70 THR HA 3.000 . 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 1
246 1 71 MET H 1 71 MET HA 3.000 . 3.300 2.829 2.829 2.829 . 0 0 "[ ]" 1
247 1 71 MET H 1 71 MET QB 2.500 . 3.300 2.242 2.242 2.242 . 0 0 "[ ]" 1
248 1 72 MET H 1 72 MET HA 3.000 . 3.300 2.968 2.968 2.968 . 0 0 "[ ]" 1
249 1 72 MET H 1 72 MET QB 3.500 . 4.600 2.202 2.202 2.202 . 0 0 "[ ]" 1
250 1 72 MET H 1 72 MET QG 4.000 . 6.000 3.504 3.504 3.504 . 0 0 "[ ]" 1
251 1 72 MET HA 1 72 MET QG 3.000 . 3.900 2.136 2.136 2.136 . 0 0 "[ ]" 1
252 1 73 ALA H 1 73 ALA HA 3.000 . 3.300 2.846 2.846 2.846 . 0 0 "[ ]" 1
253 1 73 ALA H 1 73 ALA MB 2.500 . 3.800 2.072 2.072 2.072 . 0 0 "[ ]" 1
254 1 74 ARG H 1 74 ARG QB 3.000 . 3.900 2.282 2.282 2.282 . 0 0 "[ ]" 1
255 1 74 ARG H 1 74 ARG QG 3.000 . 4.300 4.022 4.022 4.022 . 0 0 "[ ]" 1
256 1 74 ARG HA 1 74 ARG QG 3.000 . 3.900 2.242 2.242 2.242 . 0 0 "[ ]" 1
257 1 74 ARG HA 1 74 ARG QD 4.000 . 6.000 3.189 3.189 3.189 . 0 0 "[ ]" 1
258 1 75 LYS H 1 75 LYS QB 3.000 . 3.900 3.295 3.295 3.295 . 0 0 "[ ]" 1
259 1 75 LYS HA 1 75 LYS QB 2.500 . 3.700 2.171 2.171 2.171 . 0 0 "[ ]" 1
260 1 75 LYS HA 1 75 LYS QG 3.000 . 4.600 3.279 3.279 3.279 . 0 0 "[ ]" 1
261 1 76 MET H 1 76 MET QB 3.000 . 3.900 2.591 2.591 2.591 . 0 0 "[ ]" 1
262 1 76 MET H 1 76 MET QG 3.500 . 5.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
263 1 76 MET HA 1 76 MET QB 2.500 . 3.700 2.415 2.415 2.415 . 0 0 "[ ]" 1
264 1 77 LYS H 1 77 LYS QB 2.500 . 3.300 2.971 2.971 2.971 . 0 0 "[ ]" 1
265 1 78 ASP H 1 78 ASP QB 3.000 . 3.900 2.231 2.231 2.231 . 0 0 "[ ]" 1
266 1 78 ASP HA 1 78 ASP QB 2.500 . 3.700 2.529 2.529 2.529 . 0 0 "[ ]" 1
267 1 79 THR H 1 79 THR MG 3.000 . 4.800 1.793 1.793 1.793 . 0 0 "[ ]" 1
268 1 79 THR H 1 79 THR HB 4.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
269 1 79 THR HA 1 79 THR HB 2.500 . 2.700 2.356 2.356 2.356 . 0 0 "[ ]" 1
270 1 79 THR HA 1 79 THR MG 3.000 . 4.400 2.631 2.631 2.631 . 0 0 "[ ]" 1
271 1 80 ASP H 1 80 ASP QB 3.000 . 3.900 2.759 2.759 2.759 . 0 0 "[ ]" 1
272 1 80 ASP HA 1 80 ASP QB 2.500 . 3.700 2.183 2.183 2.183 . 0 0 "[ ]" 1
273 1 81 SER H 1 81 SER QB 2.500 . 3.300 2.403 2.403 2.403 . 0 0 "[ ]" 1
274 1 82 GLU H 1 82 GLU HA 3.000 . 3.300 2.758 2.758 2.758 . 0 0 "[ ]" 1
275 1 82 GLU H 1 82 GLU QB 2.500 . 3.300 2.684 2.684 2.684 . 0 0 "[ ]" 1
276 1 82 GLU HA 1 82 GLU QB 2.500 . 3.700 2.327 2.327 2.327 . 0 0 "[ ]" 1
277 1 82 GLU HA 1 82 GLU QG 3.000 . 3.900 2.381 2.381 2.381 . 0 0 "[ ]" 1
278 1 83 GLU H 1 83 GLU HA 3.000 . 3.300 2.779 2.779 2.779 . 0 0 "[ ]" 1
279 1 83 GLU H 1 83 GLU QB 3.000 . 3.900 2.427 2.427 2.427 . 0 0 "[ ]" 1
280 1 83 GLU H 1 83 GLU QG 3.500 . 5.000 2.244 2.244 2.244 . 0 0 "[ ]" 1
281 1 83 GLU HA 1 83 GLU QB 2.500 . 3.700 2.428 2.428 2.428 . 0 0 "[ ]" 1
282 1 83 GLU HA 1 83 GLU QG 3.000 . 3.900 2.255 2.255 2.255 . 0 0 "[ ]" 1
283 1 84 GLU H 1 84 GLU HA 3.000 . 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 1
284 1 84 GLU H 1 84 GLU QB 2.500 . 3.300 2.375 2.375 2.375 . 0 0 "[ ]" 1
285 1 84 GLU H 1 84 GLU QG 3.000 . 4.300 2.310 2.310 2.310 . 0 0 "[ ]" 1
286 1 84 GLU HA 1 84 GLU QB 2.500 . 3.700 2.411 2.411 2.411 . 0 0 "[ ]" 1
287 1 85 ILE H 1 85 ILE HA 3.000 . 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 1
288 1 85 ILE H 1 85 ILE HB 2.500 . 2.700 2.548 2.548 2.548 . 0 0 "[ ]" 1
289 1 85 ILE H 1 85 ILE QG 3.000 . 4.300 2.534 2.534 2.534 . 0 0 "[ ]" 1
290 1 85 ILE H 1 85 ILE MG 4.000 . 6.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
291 1 85 ILE H 1 85 ILE MD 4.000 . 6.500 1.834 1.834 1.834 . 0 0 "[ ]" 1
292 1 85 ILE HA 1 85 ILE MG 2.500 . 3.800 2.398 2.398 2.398 . 0 0 "[ ]" 1
293 1 85 ILE MD 1 85 ILE MG 3.000 . 6.300 2.947 2.947 2.947 . 0 0 "[ ]" 1
294 1 85 ILE QG 1 85 ILE MG 3.000 . 5.800 2.085 2.085 2.085 . 0 0 "[ ]" 1
295 1 85 ILE HB 1 85 ILE MD 3.500 . 5.500 2.141 2.141 2.141 . 0 0 "[ ]" 1
296 1 86 ARG H 1 86 ARG QB 2.500 . 3.300 2.067 2.067 2.067 . 0 0 "[ ]" 1
297 1 86 ARG H 1 86 ARG QG 3.000 . 4.300 3.660 3.660 3.660 . 0 0 "[ ]" 1
298 1 86 ARG HA 1 86 ARG QB 2.500 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1
299 1 86 ARG HA 1 86 ARG QG 3.000 . 3.900 2.181 2.181 2.181 . 0 0 "[ ]" 1
300 1 87 GLU H 1 87 GLU HA 2.500 . 2.700 2.767 2.767 2.767 0.067 1 0 "[ ]" 1
301 1 87 GLU H 1 87 GLU QB 3.000 . 3.900 2.127 2.127 2.127 . 0 0 "[ ]" 1
302 1 87 GLU H 1 87 GLU QG 3.000 . 4.300 3.985 3.985 3.985 . 0 0 "[ ]" 1
303 1 87 GLU HA 1 87 GLU QG 3.000 . 3.900 2.205 2.205 2.205 . 0 0 "[ ]" 1
304 1 88 ALA H 1 88 ALA HA 3.000 . 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 1
305 1 88 ALA H 1 88 ALA MB 2.500 . 3.800 2.197 2.197 2.197 . 0 0 "[ ]" 1
306 1 89 PHE H 1 89 PHE QB 2.500 . 3.300 2.171 2.171 2.171 . 0 0 "[ ]" 1
307 1 89 PHE H 1 89 PHE QD 4.000 . 7.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
308 1 89 PHE H 1 89 PHE QE 4.000 . 7.000 6.176 6.176 6.176 . 0 0 "[ ]" 1
309 1 89 PHE HA 1 89 PHE QD 3.000 . 5.300 2.262 2.262 2.262 . 0 0 "[ ]" 1
310 1 89 PHE HA 1 89 PHE QB 2.500 . 3.700 2.465 2.465 2.465 . 0 0 "[ ]" 1
311 1 90 ARG H 1 90 ARG HA 2.500 . 2.700 2.744 2.744 2.744 0.044 1 0 "[ ]" 1
312 1 90 ARG H 1 90 ARG QB 2.500 . 3.300 2.248 2.248 2.248 . 0 0 "[ ]" 1
313 1 90 ARG H 1 90 ARG QG 4.000 . 6.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
314 1 90 ARG HA 1 90 ARG QD 4.000 . 6.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
315 1 91 VAL H 1 91 VAL HA 3.000 . 3.300 2.836 2.836 2.836 . 0 0 "[ ]" 1
316 1 91 VAL H 1 91 VAL HB 3.000 . 3.800 2.634 2.634 2.634 . 0 0 "[ ]" 1
317 1 91 VAL H 1 91 VAL QG 2.500 . 4.400 2.123 2.123 2.123 . 0 0 "[ ]" 1
318 1 91 VAL HA 1 91 VAL QG 2.500 . 3.300 2.071 2.071 2.071 . 0 0 "[ ]" 1
319 1 92 PHE H 1 92 PHE HA 3.000 . 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 1
320 1 92 PHE HA 1 92 PHE QB 2.500 . 4.700 2.465 2.465 2.465 . 0 0 "[ ]" 1
321 1 92 PHE HA 1 92 PHE QD 3.000 . 5.300 2.935 2.935 2.935 . 0 0 "[ ]" 1
322 1 93 ASP H 1 93 ASP QB 2.500 . 3.300 2.302 2.302 2.302 . 0 0 "[ ]" 1
323 1 93 ASP H 1 93 ASP HA 3.000 . 3.300 2.923 2.923 2.923 . 0 0 "[ ]" 1
324 1 93 ASP HA 1 93 ASP QB 2.500 . 3.700 2.433 2.433 2.433 . 0 0 "[ ]" 1
325 1 94 LYS H 1 94 LYS HA 2.500 . 2.700 2.809 2.809 2.809 0.109 1 0 "[ ]" 1
326 1 94 LYS H 1 94 LYS QB 2.500 . 3.300 2.192 2.192 2.192 . 0 0 "[ ]" 1
327 1 94 LYS H 1 94 LYS QG 4.000 . 6.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
328 1 94 LYS H 1 94 LYS QD 4.000 . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
329 1 94 LYS HA 1 94 LYS QB 2.500 . 3.700 2.420 2.420 2.420 . 0 0 "[ ]" 1
330 1 94 LYS HA 1 94 LYS QD 3.000 . 4.300 3.960 3.960 3.960 . 0 0 "[ ]" 1
331 1 95 ASP H 1 95 ASP QB 2.500 . 3.300 2.954 2.954 2.954 . 0 0 "[ ]" 1
332 1 95 ASP HA 1 95 ASP QB 2.500 . 3.700 2.166 2.166 2.166 . 0 0 "[ ]" 1
333 1 96 GLY H 1 96 GLY QA 2.500 . 3.300 2.517 2.517 2.517 . 0 0 "[ ]" 1
334 1 97 ASN H 1 97 ASN QB 2.500 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 1
335 1 99 PHE H 1 99 PHE QD 4.000 . 7.000 2.522 2.522 2.522 . 0 0 "[ ]" 1
336 1 100 ILE H 1 100 ILE QG 4.000 . 6.000 2.159 2.159 2.159 . 0 0 "[ ]" 1
337 1 100 ILE H 1 100 ILE MD 4.000 . 6.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
338 1 100 ILE H 1 100 ILE MG 4.000 . 6.500 3.843 3.843 3.843 . 0 0 "[ ]" 1
339 1 100 ILE H 1 100 ILE HB 3.000 . 3.300 2.675 2.675 2.675 . 0 0 "[ ]" 1
340 1 100 ILE HA 1 100 ILE MG 2.500 . 3.800 2.316 2.316 2.316 . 0 0 "[ ]" 1
341 1 100 ILE HA 1 100 ILE MD 4.000 . 6.500 3.836 3.836 3.836 . 0 0 "[ ]" 1
342 1 100 ILE HB 1 100 ILE MD 2.500 . 4.200 2.272 2.272 2.272 . 0 0 "[ ]" 1
343 1 100 ILE MD 1 100 ILE MG 2.500 . 5.700 2.047 2.047 2.047 . 0 0 "[ ]" 1
344 1 100 ILE QG 1 100 ILE MG 3.000 . 5.800 2.235 2.235 2.235 . 0 0 "[ ]" 1
345 1 101 SER H 1 101 SER QB 2.500 . 3.300 2.389 2.389 2.389 . 0 0 "[ ]" 1
346 1 101 SER HA 1 101 SER QB 2.500 . 3.700 2.503 2.503 2.503 . 0 0 "[ ]" 1
347 1 102 ALA H 1 102 ALA HA 2.500 . 2.700 2.826 2.826 2.826 0.126 1 0 "[ ]" 1
348 1 102 ALA H 1 102 ALA MB 2.500 . 3.800 2.083 2.083 2.083 . 0 0 "[ ]" 1
349 1 103 ALA H 1 103 ALA HA 2.500 . 2.700 2.854 2.854 2.854 0.154 1 0 "[ ]" 1
350 1 104 GLU H 1 104 GLU HA 2.500 . 2.700 2.753 2.753 2.753 0.053 1 0 "[ ]" 1
351 1 104 GLU H 1 104 GLU QB 2.500 . 3.300 2.291 2.291 2.291 . 0 0 "[ ]" 1
352 1 104 GLU HA 1 104 GLU QB 2.500 . 3.700 2.487 2.487 2.487 . 0 0 "[ ]" 1
353 1 105 LEU H 1 105 LEU HG 4.000 . 5.000 4.455 4.455 4.455 . 0 0 "[ ]" 1
354 1 105 LEU H 1 105 LEU QB 2.500 . 3.300 2.215 2.215 2.215 . 0 0 "[ ]" 1
355 1 105 LEU H 1 105 LEU QD 4.000 . 6.700 3.588 3.588 3.588 . 0 0 "[ ]" 1
356 1 105 LEU HA 1 105 LEU QB 2.500 . 3.700 2.432 2.432 2.432 . 0 0 "[ ]" 1
357 1 105 LEU HA 1 105 LEU HG 3.000 . 3.300 2.485 2.485 2.485 . 0 0 "[ ]" 1
358 1 106 ARG H 1 106 ARG QG 4.000 . 6.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
359 1 106 ARG H 1 106 ARG QB 2.500 . 3.300 2.224 2.224 2.224 . 0 0 "[ ]" 1
360 1 106 ARG HA 1 106 ARG QB 2.500 . 3.700 2.434 2.434 2.434 . 0 0 "[ ]" 1
361 1 106 ARG HA 1 106 ARG QG 2.500 . 3.300 2.298 2.298 2.298 . 0 0 "[ ]" 1
362 1 106 ARG HA 1 106 ARG QD 4.000 . 6.000 4.015 4.015 4.015 . 0 0 "[ ]" 1
363 1 107 HIS H 1 107 HIS HA 3.000 . 3.300 2.904 2.904 2.904 . 0 0 "[ ]" 1
364 1 107 HIS H 1 107 HIS QB 3.000 . 3.900 2.106 2.106 2.106 . 0 0 "[ ]" 1
365 1 107 HIS HA 1 107 HIS QB 2.500 . 3.700 2.539 2.539 2.539 . 0 0 "[ ]" 1
366 1 108 VAL H 1 108 VAL QG 2.500 . 4.400 2.550 2.550 2.550 . 0 0 "[ ]" 1
367 1 108 VAL H 1 108 VAL HA 3.000 . 3.300 2.889 2.889 2.889 . 0 0 "[ ]" 1
368 1 108 VAL H 1 108 VAL HB 3.000 . 3.300 2.244 2.244 2.244 . 0 0 "[ ]" 1
369 1 108 VAL HA 1 108 VAL HB 2.500 . 2.700 2.971 2.971 2.971 0.271 1 0 "[ ]" 1
370 1 108 VAL HA 1 108 VAL QG 2.500 . 3.300 2.067 2.067 2.067 . 0 0 "[ ]" 1
371 1 109 MET H 1 109 MET QG 4.000 . 6.000 3.225 3.225 3.225 . 0 0 "[ ]" 1
372 1 109 MET H 1 109 MET QB 2.500 . 3.300 2.082 2.082 2.082 . 0 0 "[ ]" 1
373 1 109 MET HA 1 109 MET QB 2.500 . 3.700 2.534 2.534 2.534 . 0 0 "[ ]" 1
374 1 109 MET HA 1 109 MET QG 3.000 . 3.900 2.123 2.123 2.123 . 0 0 "[ ]" 1
375 1 109 MET ME 1 109 MET QG 3.000 . 5.800 2.109 2.109 2.109 . 0 0 "[ ]" 1
376 1 110 THR H 1 110 THR HB 4.000 . 5.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
377 1 110 THR H 1 110 THR MG 4.000 . 6.500 3.772 3.772 3.772 . 0 0 "[ ]" 1
378 1 110 THR HA 1 110 THR HB 2.500 . 2.700 3.004 3.004 3.004 0.304 1 0 "[ ]" 1
379 1 110 THR HA 1 110 THR MG 2.500 . 3.800 2.412 2.412 2.412 . 0 0 "[ ]" 1
380 1 111 ASN H 1 111 ASN HA 3.000 . 3.300 2.913 2.913 2.913 . 0 0 "[ ]" 1
381 1 111 ASN H 1 111 ASN QB 2.500 . 3.300 2.091 2.091 2.091 . 0 0 "[ ]" 1
382 1 111 ASN HA 1 111 ASN QB 2.500 . 3.700 2.538 2.538 2.538 . 0 0 "[ ]" 1
383 1 112 LEU H 1 112 LEU QD 4.000 . 6.700 3.051 3.051 3.051 . 0 0 "[ ]" 1
384 1 112 LEU H 1 112 LEU HG 4.000 . 5.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
385 1 112 LEU HA 1 112 LEU QD 2.500 . 4.400 2.495 2.495 2.495 . 0 0 "[ ]" 1
386 1 112 LEU HA 1 112 LEU QB 2.500 . 3.700 2.553 2.553 2.553 . 0 0 "[ ]" 1
387 1 112 LEU HA 1 112 LEU HG 3.000 . 3.300 2.163 2.163 2.163 . 0 0 "[ ]" 1
388 1 112 LEU QB 1 112 LEU QD 2.500 . 5.400 2.007 2.007 2.007 . 0 0 "[ ]" 1
389 1 114 GLU H 1 114 GLU HA 3.000 . 3.300 3.004 3.004 3.004 . 0 0 "[ ]" 1
390 1 114 GLU H 1 114 GLU QB 2.500 . 3.300 2.482 2.482 2.482 . 0 0 "[ ]" 1
391 1 114 GLU H 1 114 GLU QG 4.000 . 6.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
392 1 114 GLU HA 1 114 GLU QB 2.500 . 3.700 2.538 2.538 2.538 . 0 0 "[ ]" 1
393 1 114 GLU HA 1 114 GLU QG 2.500 . 3.300 2.115 2.115 2.115 . 0 0 "[ ]" 1
394 1 115 LYS H 1 115 LYS QG 4.000 . 6.000 3.022 3.022 3.022 . 0 0 "[ ]" 1
395 1 115 LYS H 1 115 LYS QB 2.500 . 3.300 2.442 2.442 2.442 . 0 0 "[ ]" 1
396 1 115 LYS HA 1 115 LYS QB 2.500 . 3.700 2.428 2.428 2.428 . 0 0 "[ ]" 1
397 1 115 LYS HA 1 115 LYS QG 2.500 . 3.300 2.282 2.282 2.282 . 0 0 "[ ]" 1
398 1 116 LEU H 1 116 LEU QD 2.500 . 4.400 3.158 3.158 3.158 . 0 0 "[ ]" 1
399 1 116 LEU H 1 116 LEU HA 2.500 . 2.700 2.967 2.967 2.967 0.267 1 0 "[ ]" 1
400 1 116 LEU H 1 116 LEU QB 2.500 . 3.300 2.624 2.624 2.624 . 0 0 "[ ]" 1
401 1 116 LEU HA 1 116 LEU QB 2.500 . 3.700 2.359 2.359 2.359 . 0 0 "[ ]" 1
402 1 116 LEU HA 1 116 LEU QD 2.500 . 4.400 2.582 2.582 2.582 . 0 0 "[ ]" 1
403 1 116 LEU QB 1 116 LEU QD 2.500 . 5.400 1.871 1.871 1.871 . 0 0 "[ ]" 1
404 1 117 THR H 1 117 THR MG 3.000 . 4.800 1.983 1.983 1.983 . 0 0 "[ ]" 1
405 1 117 THR H 1 117 THR HB 4.000 . 5.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
406 1 117 THR H 1 117 THR HA 3.000 . 3.300 2.810 2.810 2.810 . 0 0 "[ ]" 1
407 1 117 THR HA 1 117 THR HB 2.500 . 2.700 2.498 2.498 2.498 . 0 0 "[ ]" 1
408 1 117 THR HA 1 117 THR MG 2.500 . 3.800 2.474 2.474 2.474 . 0 0 "[ ]" 1
409 1 118 ASP H 1 118 ASP QB 2.500 . 3.300 2.191 2.191 2.191 . 0 0 "[ ]" 1
410 1 118 ASP HA 1 118 ASP QB 2.500 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1
411 1 119 GLU H 1 119 GLU HA 2.500 . 2.700 2.851 2.851 2.851 0.151 1 0 "[ ]" 1
412 1 119 GLU H 1 119 GLU QB 2.500 . 3.300 2.147 2.147 2.147 . 0 0 "[ ]" 1
413 1 119 GLU H 1 119 GLU QG 3.000 . 4.300 2.971 2.971 2.971 . 0 0 "[ ]" 1
414 1 120 GLU H 1 120 GLU QB 2.500 . 3.300 2.192 2.192 2.192 . 0 0 "[ ]" 1
415 1 120 GLU H 1 120 GLU QG 4.000 . 6.000 2.918 2.918 2.918 . 0 0 "[ ]" 1
416 1 120 GLU HA 1 120 GLU QB 2.500 . 3.700 2.524 2.524 2.524 . 0 0 "[ ]" 1
417 1 120 GLU HA 1 120 GLU QG 2.500 . 3.300 2.158 2.158 2.158 . 0 0 "[ ]" 1
418 1 121 VAL H 1 121 VAL HA 2.500 . 2.700 2.755 2.755 2.755 0.055 1 0 "[ ]" 1
419 1 121 VAL H 1 121 VAL HB 2.500 . 2.700 2.526 2.526 2.526 . 0 0 "[ ]" 1
420 1 121 VAL H 1 121 VAL QG 2.500 . 4.400 2.158 2.158 2.158 . 0 0 "[ ]" 1
421 1 121 VAL HA 1 121 VAL HB 3.000 . 3.300 3.023 3.023 3.023 . 0 0 "[ ]" 1
422 1 121 VAL HA 1 121 VAL QG 2.500 . 3.300 2.065 2.065 2.065 . 0 0 "[ ]" 1
423 1 122 ASP H 1 122 ASP HA 2.500 . 2.700 2.765 2.765 2.765 0.065 1 0 "[ ]" 1
424 1 122 ASP HA 1 122 ASP QB 2.500 . 3.700 2.428 2.428 2.428 . 0 0 "[ ]" 1
425 1 123 GLU H 1 123 GLU HA 2.500 . 2.700 2.845 2.845 2.845 0.145 1 0 "[ ]" 1
426 1 123 GLU H 1 123 GLU QB 2.500 . 3.300 2.068 2.068 2.068 . 0 0 "[ ]" 1
427 1 123 GLU H 1 123 GLU QG 3.000 . 4.300 3.579 3.579 3.579 . 0 0 "[ ]" 1
428 1 123 GLU HA 1 123 GLU QB 2.500 . 3.700 2.541 2.541 2.541 . 0 0 "[ ]" 1
429 1 123 GLU HA 1 123 GLU QG 2.500 . 3.300 2.148 2.148 2.148 . 0 0 "[ ]" 1
430 1 124 MET H 1 124 MET QG 3.000 . 4.300 2.190 2.190 2.190 . 0 0 "[ ]" 1
431 1 124 MET H 1 124 MET QB 3.000 . 3.900 2.477 2.477 2.477 . 0 0 "[ ]" 1
432 1 124 MET HA 1 124 MET QG 3.000 . 3.900 2.318 2.318 2.318 . 0 0 "[ ]" 1
433 1 124 MET HA 1 124 MET ME 3.000 . 4.800 3.721 3.721 3.721 . 0 0 "[ ]" 1
434 1 124 MET ME 1 124 MET QG 3.000 . 5.800 2.517 2.517 2.517 . 0 0 "[ ]" 1
435 1 125 ILE H 1 125 ILE MG 4.000 . 6.500 3.760 3.760 3.760 . 0 0 "[ ]" 1
436 1 125 ILE H 1 125 ILE HB 2.500 . 2.700 2.643 2.643 2.643 . 0 0 "[ ]" 1
437 1 125 ILE HA 1 125 ILE MD 2.500 . 4.200 3.661 3.661 3.661 . 0 0 "[ ]" 1
438 1 125 ILE MD 1 125 ILE MG 3.000 . 6.300 1.912 1.912 1.912 . 0 0 "[ ]" 1
439 1 125 ILE QG 1 125 ILE MG 3.000 . 5.800 2.386 2.386 2.386 . 0 0 "[ ]" 1
440 1 126 ARG H 1 126 ARG HA 2.500 . 2.700 2.778 2.778 2.778 0.078 1 0 "[ ]" 1
441 1 126 ARG H 1 126 ARG QG 4.000 . 6.000 3.311 3.311 3.311 . 0 0 "[ ]" 1
442 1 126 ARG HA 1 126 ARG QB 2.500 . 3.700 2.541 2.541 2.541 . 0 0 "[ ]" 1
443 1 126 ARG HA 1 126 ARG QG 2.500 . 3.300 2.145 2.145 2.145 . 0 0 "[ ]" 1
444 1 126 ARG HA 1 126 ARG QD 3.000 . 4.300 3.898 3.898 3.898 . 0 0 "[ ]" 1
445 1 127 GLU H 1 127 GLU HA 2.500 . 2.700 2.770 2.770 2.770 0.070 1 0 "[ ]" 1
446 1 127 GLU H 1 127 GLU QB 2.500 . 3.300 2.063 2.063 2.063 . 0 0 "[ ]" 1
447 1 127 GLU H 1 127 GLU QG 3.000 . 4.300 3.367 3.367 3.367 . 0 0 "[ ]" 1
448 1 127 GLU HA 1 127 GLU QB 2.500 . 3.700 2.543 2.543 2.543 . 0 0 "[ ]" 1
449 1 127 GLU HA 1 127 GLU QG 3.000 . 3.900 2.145 2.145 2.145 . 0 0 "[ ]" 1
450 1 128 ALA H 1 128 ALA MB 2.500 . 3.800 2.207 2.207 2.207 . 0 0 "[ ]" 1
451 1 129 ASP H 1 129 ASP QB 2.500 . 3.300 2.185 2.185 2.185 . 0 0 "[ ]" 1
452 1 129 ASP H 1 129 ASP HA 3.000 . 3.300 2.946 2.946 2.946 . 0 0 "[ ]" 1
453 1 129 ASP HA 1 129 ASP QB 2.500 . 3.700 2.535 2.535 2.535 . 0 0 "[ ]" 1
454 1 130 ILE H 1 130 ILE MG 4.000 . 6.500 3.696 3.696 3.696 . 0 0 "[ ]" 1
455 1 130 ILE H 1 130 ILE QG 4.000 . 6.000 2.969 2.969 2.969 . 0 0 "[ ]" 1
456 1 130 ILE H 1 130 ILE HB 2.500 . 2.700 2.332 2.332 2.332 . 0 0 "[ ]" 1
457 1 130 ILE HA 1 130 ILE QG 2.500 . 3.300 2.264 2.264 2.264 . 0 0 "[ ]" 1
458 1 130 ILE HA 1 130 ILE MG 2.500 . 3.800 2.478 2.478 2.478 . 0 0 "[ ]" 1
459 1 130 ILE HA 1 130 ILE MD 3.000 . 4.800 3.757 3.757 3.757 . 0 0 "[ ]" 1
460 1 130 ILE HB 1 130 ILE MD 3.000 . 4.800 2.191 2.191 2.191 . 0 0 "[ ]" 1
461 1 131 ASP H 1 131 ASP QB 2.500 . 3.300 2.955 2.955 2.955 . 0 0 "[ ]" 1
462 1 131 ASP H 1 131 ASP HA 3.000 . 3.300 2.902 2.902 2.902 . 0 0 "[ ]" 1
463 1 131 ASP HA 1 131 ASP QB 2.500 . 3.700 2.167 2.167 2.167 . 0 0 "[ ]" 1
464 1 133 ASP H 1 133 ASP QB 2.500 . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 1
465 1 133 ASP HA 1 133 ASP QB 2.500 . 3.700 2.259 2.259 2.259 . 0 0 "[ ]" 1
466 1 134 GLY H 1 134 GLY QA 2.500 . 3.300 2.370 2.370 2.370 . 0 0 "[ ]" 1
467 1 135 GLN H 1 135 GLN QB 3.000 . 3.900 2.521 2.521 2.521 . 0 0 "[ ]" 1
468 1 135 GLN H 1 135 GLN HA 3.000 . 3.300 2.997 2.997 2.997 . 0 0 "[ ]" 1
469 1 135 GLN H 1 135 GLN QG 4.000 . 6.000 2.810 2.810 2.810 . 0 0 "[ ]" 1
470 1 135 GLN HA 1 135 GLN QB 2.500 . 3.700 2.378 2.378 2.378 . 0 0 "[ ]" 1
471 1 136 VAL H 1 136 VAL QG 4.000 . 6.700 2.492 2.492 2.492 . 0 0 "[ ]" 1
472 1 136 VAL H 1 136 VAL HA 3.000 . 3.300 2.973 2.973 2.973 . 0 0 "[ ]" 1
473 1 136 VAL H 1 136 VAL HB 3.000 . 3.300 2.477 2.477 2.477 . 0 0 "[ ]" 1
474 1 136 VAL HA 1 136 VAL QG 2.500 . 3.300 2.090 2.090 2.090 . 0 0 "[ ]" 1
475 1 137 ASN H 1 137 ASN QB 2.500 . 3.300 2.287 2.287 2.287 . 0 0 "[ ]" 1
476 1 137 ASN HA 1 137 ASN QB 2.500 . 3.700 2.530 2.530 2.530 . 0 0 "[ ]" 1
477 1 138 TYR H 1 138 TYR QD 4.000 . 7.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
478 1 138 TYR H 1 138 TYR HA 3.000 . 3.300 2.899 2.899 2.899 . 0 0 "[ ]" 1
479 1 138 TYR H 1 138 TYR QB 2.500 . 3.300 2.222 2.222 2.222 . 0 0 "[ ]" 1
480 1 138 TYR HA 1 138 TYR QB 2.500 . 3.700 2.482 2.482 2.482 . 0 0 "[ ]" 1
481 1 139 GLU H 1 139 GLU HA 2.500 . 2.700 2.831 2.831 2.831 0.131 1 0 "[ ]" 1
482 1 139 GLU H 1 139 GLU QB 3.000 . 3.900 2.097 2.097 2.097 . 0 0 "[ ]" 1
483 1 139 GLU H 1 139 GLU QG 3.000 . 4.300 3.099 3.099 3.099 . 0 0 "[ ]" 1
484 1 139 GLU HA 1 139 GLU QB 2.500 . 3.700 2.529 2.529 2.529 . 0 0 "[ ]" 1
485 1 139 GLU HA 1 139 GLU QG 3.000 . 3.900 2.156 2.156 2.156 . 0 0 "[ ]" 1
486 1 140 GLU H 1 140 GLU QB 2.500 . 3.300 2.499 2.499 2.499 . 0 0 "[ ]" 1
487 1 140 GLU H 1 140 GLU QG 4.000 . 6.000 2.023 2.023 2.023 . 0 0 "[ ]" 1
488 1 140 GLU HA 1 140 GLU QB 2.500 . 3.700 2.357 2.357 2.357 . 0 0 "[ ]" 1
489 1 140 GLU HA 1 140 GLU QG 3.000 . 3.900 2.396 2.396 2.396 . 0 0 "[ ]" 1
490 1 141 PHE H 1 141 PHE QD 4.000 . 7.000 4.209 4.209 4.209 . 0 0 "[ ]" 1
491 1 141 PHE H 1 141 PHE QB 2.500 . 3.300 2.282 2.282 2.282 . 0 0 "[ ]" 1
492 1 141 PHE H 1 141 PHE HA 3.000 . 3.300 2.887 2.887 2.887 . 0 0 "[ ]" 1
493 1 141 PHE HA 1 141 PHE QB 2.500 . 3.700 2.354 2.354 2.354 . 0 0 "[ ]" 1
494 1 142 VAL H 1 142 VAL QG 2.500 . 4.400 2.805 2.805 2.805 . 0 0 "[ ]" 1
495 1 142 VAL HA 1 142 VAL QG 2.500 . 3.300 2.086 2.086 2.086 . 0 0 "[ ]" 1
496 1 143 THR H 1 143 THR HB 2.500 . 2.700 2.221 2.221 2.221 . 0 0 "[ ]" 1
497 1 143 THR H 1 143 THR HA 3.000 . 3.300 2.836 2.836 2.836 . 0 0 "[ ]" 1
498 1 143 THR HA 1 143 THR MG 2.500 . 3.800 2.609 2.609 2.609 . 0 0 "[ ]" 1
499 1 144 MET H 1 144 MET QB 2.500 . 3.300 2.346 2.346 2.346 . 0 0 "[ ]" 1
500 1 144 MET H 1 144 MET QG 3.000 . 4.800 4.033 4.033 4.033 . 0 0 "[ ]" 1
501 1 144 MET H 1 144 MET HA 2.500 . 2.700 2.919 2.919 2.919 0.219 1 0 "[ ]" 1
502 1 145 MET H 1 145 MET QB 2.500 . 3.300 2.302 2.302 2.302 . 0 0 "[ ]" 1
503 1 145 MET H 1 145 MET HA 3.000 . 3.300 2.940 2.940 2.940 . 0 0 "[ ]" 1
504 1 145 MET HA 1 145 MET QB 2.500 . 3.700 2.435 2.435 2.435 . 0 0 "[ ]" 1
505 1 146 THR H 1 146 THR HB 4.000 . 5.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
506 1 146 THR H 1 146 THR MG 4.000 . 6.500 2.802 2.802 2.802 . 0 0 "[ ]" 1
507 1 146 THR HA 1 146 THR HB 2.500 . 2.700 2.722 2.722 2.722 0.022 1 0 "[ ]" 1
508 1 146 THR HA 1 146 THR MG 2.500 . 3.800 3.153 3.153 3.153 . 0 0 "[ ]" 1
509 1 147 SER H 1 147 SER QB 3.000 . 3.900 2.679 2.679 2.679 . 0 0 "[ ]" 1
510 1 147 SER HA 1 147 SER QB 2.500 . 3.700 2.305 2.305 2.305 . 0 0 "[ ]" 1
511 1 148 LYS H 1 148 LYS HA 3.000 . 3.300 2.847 2.847 2.847 . 0 0 "[ ]" 1
512 1 148 LYS H 1 148 LYS QB 3.000 . 3.900 3.458 3.458 3.458 . 0 0 "[ ]" 1
513 1 148 LYS H 1 148 LYS QG 2.500 . 3.700 2.534 2.534 2.534 . 0 0 "[ ]" 1
514 1 148 LYS HA 1 148 LYS QD 4.000 . 6.000 4.243 4.243 4.243 . 0 0 "[ ]" 1
515 1 2 ASP HA 1 3 GLN H 3.000 . 3.300 3.367 3.367 3.367 0.067 1 0 "[ ]" 1
516 1 3 GLN QB 1 4 LEU H 3.000 . 4.300 2.957 2.957 2.957 . 0 0 "[ ]" 1
517 1 3 GLN HA 1 4 LEU H 3.000 . 3.300 3.394 3.394 3.394 0.094 1 0 "[ ]" 1
518 1 4 LEU HA 1 5 THR H 4.000 . 5.000 3.175 3.175 3.175 . 0 0 "[ ]" 1
519 1 4 LEU QB 1 5 THR H 4.000 . 6.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
520 1 5 THR MG 1 6 GLU H 4.000 . 6.500 3.536 3.536 3.536 . 0 0 "[ ]" 1
521 1 5 THR HA 1 6 GLU H 4.000 . 5.000 3.522 3.522 3.522 . 0 0 "[ ]" 1
522 1 5 THR HB 1 6 GLU H 3.000 . 3.300 2.650 2.650 2.650 . 0 0 "[ ]" 1
523 1 6 GLU H 1 7 GLU H 3.000 . 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 1
524 1 6 GLU HA 1 7 GLU H 4.000 . 5.000 3.146 3.146 3.146 . 0 0 "[ ]" 1
525 1 6 GLU QB 1 7 GLU H 3.000 . 4.300 3.572 3.572 3.572 . 0 0 "[ ]" 1
526 1 7 GLU H 1 8 GLN H 2.500 . 2.700 2.670 2.670 2.670 . 0 0 "[ ]" 1
527 1 7 GLU HA 1 8 GLN H 4.000 . 5.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
528 1 7 GLU QB 1 8 GLN H 3.000 . 4.300 2.382 2.382 2.382 . 0 0 "[ ]" 1
529 1 8 GLN QB 1 9 ILE H 3.000 . 4.300 2.307 2.307 2.307 . 0 0 "[ ]" 1
530 1 8 GLN H 1 9 ILE H 3.000 . 3.300 2.724 2.724 2.724 . 0 0 "[ ]" 1
531 1 8 GLN HA 1 9 ILE H 4.000 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
532 1 9 ILE MG 1 10 ALA H 4.000 . 6.500 3.533 3.533 3.533 . 0 0 "[ ]" 1
533 1 9 ILE H 1 10 ALA H 3.000 . 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 1
534 1 9 ILE HB 1 10 ALA H 4.000 . 5.000 2.440 2.440 2.440 . 0 0 "[ ]" 1
535 1 9 ILE HA 1 10 ALA H 4.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
536 1 9 ILE MD 1 10 ALA H 4.000 . 6.500 4.328 4.328 4.328 . 0 0 "[ ]" 1
537 1 10 ALA H 1 11 GLU H 3.000 . 3.300 2.666 2.666 2.666 . 0 0 "[ ]" 1
538 1 10 ALA MB 1 11 GLU H 3.000 . 4.800 2.758 2.758 2.758 . 0 0 "[ ]" 1
539 1 11 GLU HA 1 12 PHE H 4.000 . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
540 1 11 GLU QB 1 12 PHE H 4.000 . 6.000 2.482 2.482 2.482 . 0 0 "[ ]" 1
541 1 11 GLU H 1 12 PHE H 3.000 . 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 1
542 1 12 PHE QB 1 13 LYS H 4.000 . 6.000 2.208 2.208 2.208 . 0 0 "[ ]" 1
543 1 12 PHE H 1 13 LYS H 2.500 . 2.700 2.779 2.779 2.779 0.079 1 0 "[ ]" 1
544 1 13 LYS HA 1 14 GLU H 4.000 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
545 1 13 LYS H 1 14 GLU H 4.000 . 5.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
546 1 13 LYS QB 1 14 GLU H 4.000 . 6.000 2.221 2.221 2.221 . 0 0 "[ ]" 1
547 1 14 GLU H 1 15 ALA H 3.000 . 3.300 2.769 2.769 2.769 . 0 0 "[ ]" 1
548 1 14 GLU QB 1 15 ALA H 3.000 . 4.300 2.800 2.800 2.800 . 0 0 "[ ]" 1
549 1 16 PHE HA 1 17 SER H 4.000 . 5.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
550 1 16 PHE QB 1 17 SER H 2.500 . 3.700 2.780 2.780 2.780 . 0 0 "[ ]" 1
551 1 16 PHE QD 1 17 SER H 4.000 . 7.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
552 1 16 PHE H 1 17 SER H 4.000 . 5.000 2.497 2.497 2.497 . 0 0 "[ ]" 1
553 1 17 SER HA 1 18 LEU H 4.000 . 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
554 1 17 SER H 1 18 LEU H 3.000 . 3.300 2.461 2.461 2.461 . 0 0 "[ ]" 1
555 1 18 LEU QD 1 19 PHE QD 4.000 . 9.400 4.865 4.865 4.865 . 0 0 "[ ]" 1
556 1 18 LEU HA 1 19 PHE H 4.000 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
557 1 18 LEU QB 1 19 PHE H 4.000 . 6.000 2.483 2.483 2.483 . 0 0 "[ ]" 1
558 1 18 LEU H 1 19 PHE H 4.000 . 5.000 2.299 2.299 2.299 . 0 0 "[ ]" 1
559 1 18 LEU QD 1 19 PHE HA 3.000 . 5.700 4.129 4.129 4.129 . 0 0 "[ ]" 1
560 1 19 PHE H 1 20 ASP H 4.000 . 5.000 2.547 2.547 2.547 . 0 0 "[ ]" 1
561 1 19 PHE QB 1 20 ASP H 4.000 . 6.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
562 1 20 ASP HA 1 21 LYS H 2.500 . 2.700 2.203 2.203 2.203 . 0 0 "[ ]" 1
563 1 20 ASP QB 1 21 LYS H 4.000 . 6.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
564 1 21 LYS HA 1 22 ASP H 3.000 . 3.300 3.368 3.368 3.368 0.068 1 0 "[ ]" 1
565 1 21 LYS H 1 22 ASP H 3.000 . 3.300 2.298 2.298 2.298 . 0 0 "[ ]" 1
566 1 21 LYS QB 1 22 ASP H 4.000 . 6.000 3.099 3.099 3.099 . 0 0 "[ ]" 1
567 1 22 ASP H 1 23 GLY H 3.000 . 3.300 2.728 2.728 2.728 . 0 0 "[ ]" 1
568 1 22 ASP HA 1 23 GLY H 4.000 . 5.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
569 1 23 GLY QA 1 24 ASP H 4.000 . 6.000 2.927 2.927 2.927 . 0 0 "[ ]" 1
570 1 23 GLY H 1 24 ASP H 3.000 . 3.300 1.748 1.748 1.748 0.052 1 0 "[ ]" 1
571 1 24 ASP H 1 25 GLY H 3.000 . 3.300 2.364 2.364 2.364 . 0 0 "[ ]" 1
572 1 25 GLY H 1 26 THR H 4.000 . 5.000 2.540 2.540 2.540 . 0 0 "[ ]" 1
573 1 26 THR MG 1 27 ILE H 4.000 . 6.500 4.012 4.012 4.012 . 0 0 "[ ]" 1
574 1 26 THR HA 1 27 ILE H 2.500 . 2.700 2.222 2.222 2.222 . 0 0 "[ ]" 1
575 1 27 ILE MG 1 28 THR H 4.000 . 6.500 3.003 3.003 3.003 . 0 0 "[ ]" 1
576 1 27 ILE HA 1 28 THR H 3.000 . 3.300 2.156 2.156 2.156 . 0 0 "[ ]" 1
577 1 28 THR HA 1 29 THR H 2.500 . 2.700 2.434 2.434 2.434 . 0 0 "[ ]" 1
578 1 29 THR HA 1 30 LYS H 4.000 . 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
579 1 29 THR MG 1 30 LYS H 4.000 . 6.500 4.010 4.010 4.010 . 0 0 "[ ]" 1
580 1 29 THR H 1 30 LYS H 3.000 . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 1
581 1 30 LYS QB 1 31 GLU H 4.000 . 6.000 2.154 2.154 2.154 . 0 0 "[ ]" 1
582 1 30 LYS QG 1 31 GLU HA 4.000 . 7.000 4.562 4.562 4.562 . 0 0 "[ ]" 1
583 1 30 LYS QD 1 31 GLU HA 4.000 . 6.000 5.094 5.094 5.094 . 0 0 "[ ]" 1
584 1 31 GLU HA 1 32 LEU H 3.000 . 3.300 3.443 3.443 3.443 0.143 1 0 "[ ]" 1
585 1 31 GLU H 1 32 LEU H 3.000 . 3.300 2.508 2.508 2.508 . 0 0 "[ ]" 1
586 1 31 GLU QB 1 32 LEU H 4.000 . 6.000 2.748 2.748 2.748 . 0 0 "[ ]" 1
587 1 32 LEU QB 1 33 GLY H 4.000 . 6.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
588 1 32 LEU QD 1 33 GLY H 4.000 . 7.400 3.505 3.505 3.505 . 0 0 "[ ]" 1
589 1 32 LEU H 1 33 GLY H 4.000 . 5.000 2.617 2.617 2.617 . 0 0 "[ ]" 1
590 1 32 LEU QD 1 33 GLY QA 2.500 . 6.100 3.511 3.511 3.511 . 0 0 "[ ]" 1
591 1 33 GLY QA 1 34 THR H 4.000 . 6.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
592 1 33 GLY H 1 34 THR H 3.000 . 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 1
593 1 34 THR MG 1 35 VAL QG 3.000 . 7.200 4.071 4.071 4.071 . 0 0 "[ ]" 1
594 1 34 THR HA 1 35 VAL H 4.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
595 1 34 THR MG 1 35 VAL H 4.000 . 6.500 3.703 3.703 3.703 . 0 0 "[ ]" 1
596 1 34 THR HB 1 35 VAL H 4.000 . 5.000 2.901 2.901 2.901 . 0 0 "[ ]" 1
597 1 34 THR H 1 35 VAL H 3.000 . 3.300 3.157 3.157 3.157 . 0 0 "[ ]" 1
598 1 34 THR MG 1 35 VAL HA 4.000 . 6.500 5.326 5.326 5.326 . 0 0 "[ ]" 1
599 1 35 VAL QG 1 36 MET QG 4.000 . 8.400 4.640 4.640 4.640 . 0 0 "[ ]" 1
600 1 35 VAL QG 1 36 MET H 4.000 . 7.400 2.832 2.832 2.832 . 0 0 "[ ]" 1
601 1 35 VAL H 1 36 MET H 3.000 . 3.300 3.025 3.025 3.025 . 0 0 "[ ]" 1
602 1 35 VAL HA 1 36 MET H 4.000 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
603 1 35 VAL HB 1 36 MET H 4.000 . 5.000 2.031 2.031 2.031 . 0 0 "[ ]" 1
604 1 36 MET HA 1 37 ARG H 4.000 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
605 1 36 MET H 1 37 ARG H 4.000 . 5.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
606 1 36 MET QB 1 37 ARG H 3.000 . 4.300 2.576 2.576 2.576 . 0 0 "[ ]" 1
607 1 37 ARG H 1 38 SER H 4.000 . 5.000 2.639 2.639 2.639 . 0 0 "[ ]" 1
608 1 37 ARG QB 1 38 SER H 4.000 . 6.000 2.458 2.458 2.458 . 0 0 "[ ]" 1
609 1 38 SER HA 1 39 LEU QD 4.000 . 7.400 4.885 4.885 4.885 . 0 0 "[ ]" 1
610 1 38 SER HA 1 39 LEU QB 4.000 . 6.000 4.801 4.801 4.801 . 0 0 "[ ]" 1
611 1 38 SER H 1 39 LEU H 2.500 . 2.700 2.764 2.764 2.764 0.064 1 0 "[ ]" 1
612 1 38 SER QB 1 39 LEU H 4.000 . 6.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
613 1 39 LEU HA 1 40 GLY H 4.000 . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
614 1 39 LEU H 1 40 GLY H 4.000 . 5.000 1.876 1.876 1.876 . 0 0 "[ ]" 1
615 1 39 LEU QB 1 40 GLY H 4.000 . 6.000 2.676 2.676 2.676 . 0 0 "[ ]" 1
616 1 40 GLY H 1 41 GLN H 3.000 . 3.300 1.969 1.969 1.969 . 0 0 "[ ]" 1
617 1 41 GLN HA 1 42 ASN H 3.000 . 3.300 2.467 2.467 2.467 . 0 0 "[ ]" 1
618 1 41 GLN QB 1 42 ASN H 4.000 . 6.000 2.755 2.755 2.755 . 0 0 "[ ]" 1
619 1 43 PRO QB 1 44 THR H 3.000 . 4.300 1.678 1.678 1.678 . 0 0 "[ ]" 1
620 1 43 PRO HA 1 44 THR H 3.000 . 3.300 3.459 3.459 3.459 0.159 1 0 "[ ]" 1
621 1 44 THR MG 1 45 GLU QB 4.000 . 7.500 4.903 4.903 4.903 . 0 0 "[ ]" 1
622 1 44 THR MG 1 45 GLU H 4.000 . 4.800 3.396 3.396 3.396 . 0 0 "[ ]" 1
623 1 44 THR HA 1 45 GLU H 2.500 . 2.700 2.518 2.518 2.518 . 0 0 "[ ]" 1
624 1 44 THR HB 1 45 GLU H 4.000 . 5.000 2.191 2.191 2.191 . 0 0 "[ ]" 1
625 1 45 GLU QB 1 46 ALA H 2.500 . 3.700 2.557 2.557 2.557 . 0 0 "[ ]" 1
626 1 45 GLU HA 1 46 ALA H 4.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
627 1 45 GLU H 1 46 ALA H 2.500 . 2.700 2.281 2.281 2.281 . 0 0 "[ ]" 1
628 1 45 GLU QB 1 46 ALA MB 4.000 . 7.500 3.889 3.889 3.889 . 0 0 "[ ]" 1
629 1 45 GLU QG 1 46 ALA MB 4.000 . 7.500 5.521 5.521 5.521 . 0 0 "[ ]" 1
630 1 46 ALA H 1 47 GLU H 3.000 . 3.300 2.846 2.846 2.846 . 0 0 "[ ]" 1
631 1 46 ALA HA 1 47 GLU H 4.000 . 5.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
632 1 46 ALA MB 1 47 GLU H 3.000 . 4.800 2.615 2.615 2.615 . 0 0 "[ ]" 1
633 1 46 ALA MB 1 47 GLU HA 4.000 . 6.500 3.698 3.698 3.698 . 0 0 "[ ]" 1
634 1 47 GLU QB 1 48 LEU H 2.500 . 3.700 2.563 2.563 2.563 . 0 0 "[ ]" 1
635 1 47 GLU H 1 48 LEU H 2.500 . 2.700 2.681 2.681 2.681 . 0 0 "[ ]" 1
636 1 48 LEU H 1 49 GLN H 2.500 . 2.700 2.696 2.696 2.696 . 0 0 "[ ]" 1
637 1 48 LEU QB 1 49 GLN H 3.000 . 4.300 2.563 2.563 2.563 . 0 0 "[ ]" 1
638 1 48 LEU HA 1 49 GLN H 4.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
639 1 49 GLN H 1 50 ASP H 2.500 . 2.700 2.655 2.655 2.655 . 0 0 "[ ]" 1
640 1 49 GLN HA 1 50 ASP H 4.000 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
641 1 49 GLN QB 1 50 ASP H 3.000 . 4.300 2.558 2.558 2.558 . 0 0 "[ ]" 1
642 1 50 ASP H 1 51 MET H 2.500 . 2.700 2.588 2.588 2.588 . 0 0 "[ ]" 1
643 1 50 ASP QB 1 51 MET H 2.500 . 3.700 2.595 2.595 2.595 . 0 0 "[ ]" 1
644 1 50 ASP HA 1 51 MET H 4.000 . 5.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
645 1 51 MET H 1 52 ILE H 3.000 . 3.300 2.548 2.548 2.548 . 0 0 "[ ]" 1
646 1 51 MET HA 1 52 ILE H 4.000 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
647 1 51 MET QB 1 52 ILE H 4.000 . 6.000 2.827 2.827 2.827 . 0 0 "[ ]" 1
648 1 52 ILE QG 1 53 ASN H 4.000 . 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
649 1 52 ILE MG 1 53 ASN H 4.000 . 6.500 2.641 2.641 2.641 . 0 0 "[ ]" 1
650 1 52 ILE H 1 53 ASN H 3.000 . 3.300 2.410 2.410 2.410 . 0 0 "[ ]" 1
651 1 52 ILE HB 1 53 ASN H 3.000 . 3.300 3.290 3.290 3.290 . 0 0 "[ ]" 1
652 1 52 ILE MG 1 53 ASN HA 3.000 . 4.800 3.020 3.020 3.020 . 0 0 "[ ]" 1
653 1 53 ASN QB 1 54 GLU H 4.000 . 6.000 2.858 2.858 2.858 . 0 0 "[ ]" 1
654 1 53 ASN H 1 54 GLU H 3.000 . 3.300 2.438 2.438 2.438 . 0 0 "[ ]" 1
655 1 53 ASN HA 1 54 GLU H 4.000 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
656 1 54 GLU QB 1 55 VAL QG 2.500 . 6.100 3.835 3.835 3.835 . 0 0 "[ ]" 1
657 1 54 GLU QG 1 55 VAL QG 4.000 . 8.400 4.846 4.846 4.846 . 0 0 "[ ]" 1
658 1 54 GLU H 1 55 VAL H 4.000 . 5.000 2.668 2.668 2.668 . 0 0 "[ ]" 1
659 1 54 GLU HA 1 55 VAL H 4.000 . 5.000 3.331 3.331 3.331 . 0 0 "[ ]" 1
660 1 54 GLU QB 1 55 VAL H 4.000 . 6.000 3.281 3.281 3.281 . 0 0 "[ ]" 1
661 1 55 VAL QG 1 56 ASP H 4.000 . 7.400 2.256 2.256 2.256 . 0 0 "[ ]" 1
662 1 55 VAL H 1 56 ASP H 2.500 . 2.700 1.910 1.910 1.910 . 0 0 "[ ]" 1
663 1 55 VAL HA 1 56 ASP H 4.000 . 5.000 3.516 3.516 3.516 . 0 0 "[ ]" 1
664 1 55 VAL QG 1 56 ASP HA 4.000 . 7.400 2.854 2.854 2.854 . 0 0 "[ ]" 1
665 1 56 ASP H 1 57 ALA H 4.000 . 5.000 4.367 4.367 4.367 . 0 0 "[ ]" 1
666 1 56 ASP HA 1 57 ALA H 2.500 . 2.700 2.174 2.174 2.174 . 0 0 "[ ]" 1
667 1 57 ALA H 1 58 ASP H 4.000 . 5.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
668 1 57 ALA HA 1 58 ASP H 4.000 . 5.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
669 1 57 ALA MB 1 58 ASP H 3.000 . 4.800 2.184 2.184 2.184 . 0 0 "[ ]" 1
670 1 58 ASP H 1 59 GLY H 3.000 . 3.300 3.099 3.099 3.099 . 0 0 "[ ]" 1
671 1 58 ASP HA 1 59 GLY H 4.000 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
672 1 59 GLY H 1 60 ASN H 4.000 . 5.000 1.781 1.781 1.781 0.019 1 0 "[ ]" 1
673 1 59 GLY QA 1 60 ASN H 4.000 . 6.000 2.930 2.930 2.930 . 0 0 "[ ]" 1
674 1 60 ASN H 1 61 GLY H 3.000 . 3.300 2.757 2.757 2.757 . 0 0 "[ ]" 1
675 1 61 GLY QA 1 62 THR H 4.000 . 6.000 2.917 2.917 2.917 . 0 0 "[ ]" 1
676 1 62 THR HA 1 63 ILE H 2.500 . 2.700 2.613 2.613 2.613 . 0 0 "[ ]" 1
677 1 62 THR HB 1 63 ILE H 3.000 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 1
678 1 63 ILE HB 1 64 ASP H 4.000 . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
679 1 63 ILE MG 1 64 ASP H 4.000 . 6.500 2.367 2.367 2.367 . 0 0 "[ ]" 1
680 1 63 ILE HA 1 64 ASP H 2.500 . 2.700 2.160 2.160 2.160 . 0 0 "[ ]" 1
681 1 64 ASP HA 1 65 PHE H 3.000 . 3.300 2.910 2.910 2.910 . 0 0 "[ ]" 1
682 1 64 ASP QB 1 65 PHE H 2.500 . 3.700 1.693 1.693 1.693 . 0 0 "[ ]" 1
683 1 68 PHE H 1 69 LEU H 3.000 . 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 1
684 1 67 GLU HA 1 68 PHE H 4.000 . 5.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
685 1 67 GLU H 1 68 PHE H 4.000 . 5.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
686 1 67 GLU QB 1 68 PHE H 4.000 . 6.000 2.626 2.626 2.626 . 0 0 "[ ]" 1
687 1 69 LEU H 1 70 THR H 3.000 . 3.300 2.837 2.837 2.837 . 0 0 "[ ]" 1
688 1 68 PHE QD 1 69 LEU H 4.000 . 7.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
689 1 68 PHE HA 1 69 LEU H 4.000 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
690 1 68 PHE QB 1 69 LEU H 4.000 . 6.000 2.081 2.081 2.081 . 0 0 "[ ]" 1
691 1 70 THR H 1 71 MET H 2.500 . 2.700 2.713 2.713 2.713 0.013 1 0 "[ ]" 1
692 1 69 LEU QB 1 70 THR H 4.000 . 6.000 2.519 2.519 2.519 . 0 0 "[ ]" 1
693 1 69 LEU QD 1 70 THR H 4.000 . 7.400 4.073 4.073 4.073 . 0 0 "[ ]" 1
694 1 69 LEU HA 1 70 THR H 4.000 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
695 1 71 MET H 1 72 MET H 2.500 . 2.700 2.728 2.728 2.728 0.028 1 0 "[ ]" 1
696 1 70 THR HB 1 71 MET H 4.000 . 5.000 2.635 2.635 2.635 . 0 0 "[ ]" 1
697 1 70 THR MG 1 71 MET H 4.000 . 6.500 3.591 3.591 3.591 . 0 0 "[ ]" 1
698 1 70 THR MG 1 71 MET HA 4.000 . 6.500 3.663 3.663 3.663 . 0 0 "[ ]" 1
699 1 71 MET QG 1 72 MET ME 4.000 . 7.500 4.921 4.921 4.921 . 0 0 "[ ]" 1
700 1 72 MET H 1 73 ALA H 2.500 . 2.700 2.364 2.364 2.364 . 0 0 "[ ]" 1
701 1 71 MET HA 1 72 MET H 3.500 . 4.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
702 1 71 MET QB 1 72 MET H 3.000 . 4.300 2.771 2.771 2.771 . 0 0 "[ ]" 1
703 1 73 ALA H 1 74 ARG H 2.500 . 2.700 2.633 2.633 2.633 . 0 0 "[ ]" 1
704 1 72 MET QB 1 73 ALA H 4.000 . 6.000 2.553 2.553 2.553 . 0 0 "[ ]" 1
705 1 72 MET QG 1 73 ALA H 4.000 . 6.000 4.322 4.322 4.322 . 0 0 "[ ]" 1
706 1 72 MET HA 1 73 ALA H 3.500 . 4.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
707 1 73 ALA HA 1 74 ARG H 3.000 . 3.300 3.495 3.495 3.495 0.195 1 0 "[ ]" 1
708 1 73 ALA MB 1 74 ARG H 3.000 . 4.800 2.691 2.691 2.691 . 0 0 "[ ]" 1
709 1 74 ARG HA 1 75 LYS H 3.000 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 1
710 1 75 LYS HA 1 76 MET H 3.000 . 3.300 2.339 2.339 2.339 . 0 0 "[ ]" 1
711 1 76 MET HA 1 77 LYS H 2.500 . 2.700 2.189 2.189 2.189 . 0 0 "[ ]" 1
712 1 76 MET QB 1 77 LYS H 4.000 . 6.000 3.412 3.412 3.412 . 0 0 "[ ]" 1
713 1 77 LYS HA 1 78 ASP H 3.000 . 3.300 3.361 3.361 3.361 0.061 1 0 "[ ]" 1
714 1 78 ASP HA 1 79 THR H 3.000 . 3.300 2.092 2.092 2.092 . 0 0 "[ ]" 1
715 1 78 ASP QB 1 79 THR H 4.000 . 6.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
716 1 79 THR HA 1 80 ASP H 3.000 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 1
717 1 79 THR MG 1 80 ASP H 4.000 . 6.500 4.322 4.322 4.322 . 0 0 "[ ]" 1
718 1 80 ASP HA 1 81 SER H 3.000 . 3.300 2.157 2.157 2.157 . 0 0 "[ ]" 1
719 1 80 ASP QB 1 81 SER H 4.000 . 6.000 3.296 3.296 3.296 . 0 0 "[ ]" 1
720 1 81 SER HA 1 82 GLU H 3.000 . 3.300 2.590 2.590 2.590 . 0 0 "[ ]" 1
721 1 82 GLU H 1 83 GLU H 3.000 . 3.300 2.870 2.870 2.870 . 0 0 "[ ]" 1
722 1 82 GLU HA 1 83 GLU H 3.500 . 4.000 3.434 3.434 3.434 . 0 0 "[ ]" 1
723 1 83 GLU H 1 84 GLU H 2.500 . 2.700 2.785 2.785 2.785 0.085 1 0 "[ ]" 1
724 1 82 GLU QB 1 83 GLU H 4.000 . 6.000 3.018 3.018 3.018 . 0 0 "[ ]" 1
725 1 84 GLU H 1 85 ILE H 4.000 . 5.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
726 1 83 GLU HA 1 84 GLU H 3.500 . 4.000 3.481 3.481 3.481 . 0 0 "[ ]" 1
727 1 83 GLU QB 1 84 GLU H 4.000 . 6.000 2.757 2.757 2.757 . 0 0 "[ ]" 1
728 1 85 ILE H 1 86 ARG H 3.000 . 3.300 2.821 2.821 2.821 . 0 0 "[ ]" 1
729 1 84 GLU QB 1 85 ILE H 3.500 . 5.000 2.044 2.044 2.044 . 0 0 "[ ]" 1
730 1 85 ILE MG 1 86 ARG HA 4.000 . 6.500 3.438 3.438 3.438 . 0 0 "[ ]" 1
731 1 85 ILE HA 1 86 ARG H 3.500 . 4.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
732 1 85 ILE HB 1 86 ARG H 3.000 . 3.300 2.449 2.449 2.449 . 0 0 "[ ]" 1
733 1 86 ARG H 1 87 GLU H 3.000 . 3.300 3.021 3.021 3.021 . 0 0 "[ ]" 1
734 1 87 GLU H 1 88 ALA H 3.000 . 3.300 2.908 2.908 2.908 . 0 0 "[ ]" 1
735 1 88 ALA H 1 89 PHE H 2.500 . 2.700 2.790 2.790 2.790 0.090 1 0 "[ ]" 1
736 1 87 GLU QB 1 88 ALA H 4.000 . 6.000 2.329 2.329 2.329 . 0 0 "[ ]" 1
737 1 89 PHE H 1 90 ARG H 3.000 . 3.300 2.933 2.933 2.933 . 0 0 "[ ]" 1
738 1 88 ALA HA 1 89 PHE H 3.500 . 4.000 3.522 3.522 3.522 . 0 0 "[ ]" 1
739 1 88 ALA MB 1 89 PHE H 2.500 . 4.200 2.359 2.359 2.359 . 0 0 "[ ]" 1
740 1 89 PHE HA 1 90 ARG H 3.500 . 4.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
741 1 90 ARG H 1 91 VAL H 3.000 . 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 1
742 1 89 PHE QB 1 90 ARG H 4.000 . 6.000 2.035 2.035 2.035 . 0 0 "[ ]" 1
743 1 91 VAL H 1 92 PHE H 3.000 . 3.300 2.807 2.807 2.807 . 0 0 "[ ]" 1
744 1 90 ARG QB 1 91 VAL H 3.500 . 5.000 2.499 2.499 2.499 . 0 0 "[ ]" 1
745 1 91 VAL QG 1 92 PHE QD 4.000 . 9.400 3.266 3.266 3.266 . 0 0 "[ ]" 1
746 1 90 ARG QG 1 91 VAL QG 4.000 . 8.400 3.948 3.948 3.948 . 0 0 "[ ]" 1
747 1 92 PHE H 1 93 ASP H 3.000 . 3.300 2.894 2.894 2.894 . 0 0 "[ ]" 1
748 1 91 VAL HB 1 92 PHE H 4.000 . 5.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
749 1 91 VAL QG 1 92 PHE HA 3.000 . 5.700 3.534 3.534 3.534 . 0 0 "[ ]" 1
750 1 92 PHE QB 1 93 ASP H 4.000 . 6.000 2.319 2.319 2.319 . 0 0 "[ ]" 1
751 1 92 PHE HA 1 93 ASP H 4.000 . 5.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
752 1 93 ASP HA 1 94 LYS H 3.000 . 3.300 2.311 2.311 2.311 . 0 0 "[ ]" 1
753 1 94 LYS HA 1 95 ASP H 4.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
754 1 94 LYS H 1 95 ASP H 3.000 . 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 1
755 1 94 LYS QB 1 95 ASP H 3.000 . 4.300 2.111 2.111 2.111 . 0 0 "[ ]" 1
756 1 95 ASP H 1 96 GLY H 4.000 . 5.000 3.524 3.524 3.524 . 0 0 "[ ]" 1
757 1 95 ASP HA 1 96 GLY H 4.000 . 5.000 3.533 3.533 3.533 . 0 0 "[ ]" 1
758 1 96 GLY H 1 97 ASN H 4.000 . 5.000 1.821 1.821 1.821 . 0 0 "[ ]" 1
759 1 96 GLY QA 1 97 ASN H 4.000 . 6.000 2.749 2.749 2.749 . 0 0 "[ ]" 1
760 1 97 ASN H 1 98 GLY H 4.000 . 5.000 2.340 2.340 2.340 . 0 0 "[ ]" 1
761 1 98 GLY QA 1 99 PHE H 4.000 . 6.000 2.808 2.808 2.808 . 0 0 "[ ]" 1
762 1 98 GLY H 1 99 PHE H 4.000 . 5.000 2.484 2.484 2.484 . 0 0 "[ ]" 1
763 1 99 PHE QB 1 100 ILE H 4.000 . 6.000 2.644 2.644 2.644 . 0 0 "[ ]" 1
764 1 99 PHE HA 1 100 ILE H 2.500 . 2.700 2.361 2.361 2.361 . 0 0 "[ ]" 1
765 1 100 ILE MG 1 101 SER H 4.000 . 6.500 2.111 2.111 2.111 . 0 0 "[ ]" 1
766 1 100 ILE HA 1 101 SER H 2.500 . 2.700 2.193 2.193 2.193 . 0 0 "[ ]" 1
767 1 101 SER HA 1 102 ALA H 2.500 . 2.700 2.442 2.442 2.442 . 0 0 "[ ]" 1
768 1 101 SER QB 1 102 ALA H 2.500 . 3.700 2.458 2.458 2.458 . 0 0 "[ ]" 1
769 1 102 ALA HA 1 103 ALA H 3.000 . 3.300 3.508 3.508 3.508 0.208 1 0 "[ ]" 1
770 1 102 ALA MB 1 103 ALA H 3.000 . 4.800 2.508 2.508 2.508 . 0 0 "[ ]" 1
771 1 102 ALA H 1 103 ALA H 3.000 . 3.300 2.750 2.750 2.750 . 0 0 "[ ]" 1
772 1 103 ALA MB 1 104 GLU H 3.000 . 4.800 2.239 2.239 2.239 . 0 0 "[ ]" 1
773 1 103 ALA H 1 104 GLU H 2.500 . 2.700 2.735 2.735 2.735 0.035 1 0 "[ ]" 1
774 1 104 GLU H 1 105 LEU H 3.000 . 3.300 3.280 3.280 3.280 . 0 0 "[ ]" 1
775 1 103 ALA HA 1 104 GLU H 4.000 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
776 1 104 GLU QB 1 105 LEU H 4.000 . 6.000 2.123 2.123 2.123 . 0 0 "[ ]" 1
777 1 105 LEU H 1 106 ARG H 4.000 . 5.000 3.054 3.054 3.054 . 0 0 "[ ]" 1
778 1 105 LEU QB 1 106 ARG H 3.000 . 4.300 2.098 2.098 2.098 . 0 0 "[ ]" 1
779 1 106 ARG QB 1 107 HIS H 4.000 . 6.000 2.636 2.636 2.636 . 0 0 "[ ]" 1
780 1 107 HIS QB 1 108 VAL H 4.000 . 6.000 2.592 2.592 2.592 . 0 0 "[ ]" 1
781 1 108 VAL H 1 109 MET H 3.000 . 3.300 2.591 2.591 2.591 . 0 0 "[ ]" 1
782 1 108 VAL QG 1 109 MET H 4.000 . 7.400 2.972 2.972 2.972 . 0 0 "[ ]" 1
783 1 108 VAL HA 1 109 MET H 4.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
784 1 108 VAL HB 1 109 MET H 4.000 . 5.000 2.733 2.733 2.733 . 0 0 "[ ]" 1
785 1 108 VAL QG 1 109 MET ME 4.000 . 8.900 4.322 4.322 4.322 . 0 0 "[ ]" 1
786 1 109 MET H 1 110 THR H 4.000 . 5.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
787 1 109 MET QB 1 110 THR H 4.000 . 6.000 2.765 2.765 2.765 . 0 0 "[ ]" 1
788 1 109 MET QG 1 110 THR H 4.000 . 6.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
789 1 110 THR MG 1 111 ASN H 4.000 . 6.500 3.582 3.582 3.582 . 0 0 "[ ]" 1
790 1 110 THR H 1 111 ASN H 3.000 . 3.300 2.534 2.534 2.534 . 0 0 "[ ]" 1
791 1 110 THR HB 1 111 ASN H 4.000 . 5.000 2.906 2.906 2.906 . 0 0 "[ ]" 1
792 1 110 THR MG 1 111 ASN HA 4.000 . 6.500 3.475 3.475 3.475 . 0 0 "[ ]" 1
793 1 111 ASN H 1 112 LEU H 4.000 . 5.000 2.507 2.507 2.507 . 0 0 "[ ]" 1
794 1 112 LEU HA 1 113 GLY H 3.000 . 3.300 3.431 3.431 3.431 0.131 1 0 "[ ]" 1
795 1 112 LEU H 1 113 GLY H 4.000 . 5.000 2.616 2.616 2.616 . 0 0 "[ ]" 1
796 1 112 LEU QB 1 113 GLY H 4.000 . 6.000 3.027 3.027 3.027 . 0 0 "[ ]" 1
797 1 113 GLY QA 1 114 GLU H 3.000 . 4.300 2.931 2.931 2.931 . 0 0 "[ ]" 1
798 1 113 GLY H 1 114 GLU H 3.000 . 3.300 2.036 2.036 2.036 . 0 0 "[ ]" 1
799 1 114 GLU QB 1 115 LYS H 3.000 . 4.300 2.378 2.378 2.378 . 0 0 "[ ]" 1
800 1 115 LYS H 1 116 LEU QD 4.000 . 7.400 4.067 4.067 4.067 . 0 0 "[ ]" 1
801 1 115 LYS HA 1 116 LEU H 2.500 . 2.700 2.169 2.169 2.169 . 0 0 "[ ]" 1
802 1 115 LYS QB 1 116 LEU H 4.000 . 6.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
803 1 116 LEU QB 1 117 THR H 4.000 . 6.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
804 1 117 THR HA 1 118 ASP H 3.000 . 3.300 2.636 2.636 2.636 . 0 0 "[ ]" 1
805 1 118 ASP HA 1 119 GLU H 3.000 . 3.300 3.425 3.425 3.425 0.125 1 0 "[ ]" 1
806 1 118 ASP H 1 119 GLU H 2.500 . 2.700 2.343 2.343 2.343 . 0 0 "[ ]" 1
807 1 118 ASP QB 1 119 GLU HA 4.000 . 6.000 3.863 3.863 3.863 . 0 0 "[ ]" 1
808 1 119 GLU H 1 120 GLU H 4.000 . 5.000 2.837 2.837 2.837 . 0 0 "[ ]" 1
809 1 119 GLU HA 1 120 GLU H 4.000 . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1
810 1 120 GLU HA 1 121 VAL H 4.000 . 5.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
811 1 120 GLU QG 1 121 VAL H 4.000 . 6.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
812 1 120 GLU H 1 121 VAL H 4.000 . 5.000 3.292 3.292 3.292 . 0 0 "[ ]" 1
813 1 121 VAL HA 1 122 ASP H 4.000 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
814 1 121 VAL QG 1 122 ASP H 3.000 . 5.700 2.856 2.856 2.856 . 0 0 "[ ]" 1
815 1 121 VAL H 1 122 ASP H 4.000 . 5.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
816 1 121 VAL HB 1 122 ASP H 2.500 . 2.700 2.387 2.387 2.387 . 0 0 "[ ]" 1
817 1 122 ASP HA 1 123 GLU H 4.000 . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
818 1 122 ASP H 1 123 GLU H 3.000 . 3.300 2.989 2.989 2.989 . 0 0 "[ ]" 1
819 1 122 ASP QB 1 123 GLU H 3.000 . 4.300 2.312 2.312 2.312 . 0 0 "[ ]" 1
820 1 123 GLU H 1 124 MET H 3.000 . 3.300 2.587 2.587 2.587 . 0 0 "[ ]" 1
821 1 123 GLU HA 1 124 MET H 3.000 . 3.300 3.464 3.464 3.464 0.164 1 0 "[ ]" 1
822 1 124 MET HA 1 125 ILE H 4.000 . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
823 1 124 MET QB 1 125 ILE H 3.000 . 4.300 2.188 2.188 2.188 . 0 0 "[ ]" 1
824 1 124 MET H 1 125 ILE H 3.000 . 3.300 2.712 2.712 2.712 . 0 0 "[ ]" 1
825 1 125 ILE H 1 126 ARG H 4.000 . 5.000 2.820 2.820 2.820 . 0 0 "[ ]" 1
826 1 125 ILE HA 1 126 ARG H 4.000 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
827 1 125 ILE HB 1 126 ARG H 4.000 . 5.000 2.430 2.430 2.430 . 0 0 "[ ]" 1
828 1 125 ILE MG 1 126 ARG H 4.000 . 6.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
829 1 125 ILE MG 1 126 ARG HA 4.000 . 6.500 3.711 3.711 3.711 . 0 0 "[ ]" 1
830 1 126 ARG QB 1 127 GLU H 3.000 . 4.300 2.077 2.077 2.077 . 0 0 "[ ]" 1
831 1 126 ARG H 1 127 GLU H 3.000 . 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 1
832 1 126 ARG HA 1 127 GLU H 4.000 . 5.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
833 1 127 GLU H 1 128 ALA H 3.000 . 3.300 2.909 2.909 2.909 . 0 0 "[ ]" 1
834 1 127 GLU QG 1 128 ALA H 4.000 . 6.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
835 1 127 GLU HA 1 128 ALA H 4.000 . 5.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
836 1 127 GLU QB 1 128 ALA H 3.000 . 4.300 2.657 2.657 2.657 . 0 0 "[ ]" 1
837 1 127 GLU QB 1 128 ALA HA 4.000 . 6.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
838 1 128 ALA HA 1 129 ASP H 4.000 . 5.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
839 1 128 ALA H 1 129 ASP H 3.000 . 3.300 2.692 2.692 2.692 . 0 0 "[ ]" 1
840 1 128 ALA MB 1 129 ASP H 3.000 . 4.800 2.681 2.681 2.681 . 0 0 "[ ]" 1
841 1 129 ASP HA 1 130 ILE MG 4.000 . 6.500 5.439 5.439 5.439 . 0 0 "[ ]" 1
842 1 129 ASP QB 1 130 ILE MD 4.000 . 8.500 5.891 5.891 5.891 . 0 0 "[ ]" 1
843 1 129 ASP QB 1 130 ILE H 3.000 . 4.300 3.706 3.706 3.706 . 0 0 "[ ]" 1
844 1 129 ASP HA 1 130 ILE H 2.500 . 2.700 2.162 2.162 2.162 . 0 0 "[ ]" 1
845 1 130 ILE HA 1 131 ASP H 4.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
846 1 130 ILE MG 1 131 ASP H 4.000 . 6.500 3.297 3.297 3.297 . 0 0 "[ ]" 1
847 1 130 ILE QG 1 131 ASP H 4.000 . 6.000 4.333 4.333 4.333 . 0 0 "[ ]" 1
848 1 130 ILE H 1 131 ASP H 3.000 . 3.300 2.208 2.208 2.208 . 0 0 "[ ]" 1
849 1 130 ILE HB 1 131 ASP H 4.000 . 5.000 2.890 2.890 2.890 . 0 0 "[ ]" 1
850 1 131 ASP H 1 132 GLY H 4.000 . 5.000 3.105 3.105 3.105 . 0 0 "[ ]" 1
851 1 132 GLY QA 1 133 ASP H 4.000 . 6.000 2.718 2.718 2.718 . 0 0 "[ ]" 1
852 1 132 GLY H 1 133 ASP H 4.000 . 5.000 1.918 1.918 1.918 . 0 0 "[ ]" 1
853 1 133 ASP H 1 134 GLY H 3.000 . 3.300 2.372 2.372 2.372 . 0 0 "[ ]" 1
854 1 134 GLY QA 1 135 GLN H 4.000 . 6.000 2.798 2.798 2.798 . 0 0 "[ ]" 1
855 1 134 GLY H 1 135 GLN H 4.000 . 5.000 2.636 2.636 2.636 . 0 0 "[ ]" 1
856 1 135 GLN HA 1 136 VAL QG 3.000 . 5.700 3.472 3.472 3.472 . 0 0 "[ ]" 1
857 1 135 GLN QB 1 136 VAL H 4.000 . 6.000 2.609 2.609 2.609 . 0 0 "[ ]" 1
858 1 135 GLN HA 1 136 VAL H 2.500 . 2.700 2.355 2.355 2.355 . 0 0 "[ ]" 1
859 1 136 VAL QG 1 137 ASN H 4.000 . 7.400 2.488 2.488 2.488 . 0 0 "[ ]" 1
860 1 136 VAL HA 1 137 ASN H 4.000 . 5.000 2.178 2.178 2.178 . 0 0 "[ ]" 1
861 1 137 ASN HA 1 138 TYR H 3.000 . 3.300 2.701 2.701 2.701 . 0 0 "[ ]" 1
862 1 137 ASN QB 1 138 TYR H 3.000 . 4.300 1.963 1.963 1.963 . 0 0 "[ ]" 1
863 1 138 TYR HA 1 139 GLU H 4.000 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
864 1 138 TYR QD 1 139 GLU H 4.000 . 7.000 4.050 4.050 4.050 . 0 0 "[ ]" 1
865 1 138 TYR H 1 139 GLU H 4.000 . 5.000 2.547 2.547 2.547 . 0 0 "[ ]" 1
866 1 138 TYR QB 1 139 GLU H 3.000 . 4.300 2.585 2.585 2.585 . 0 0 "[ ]" 1
867 1 139 GLU H 1 140 GLU H 3.000 . 3.300 2.778 2.778 2.778 . 0 0 "[ ]" 1
868 1 139 GLU HA 1 140 GLU H 4.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
869 1 139 GLU QB 1 140 GLU H 4.000 . 6.000 2.528 2.528 2.528 . 0 0 "[ ]" 1
870 1 140 GLU QB 1 141 PHE H 4.000 . 6.000 2.716 2.716 2.716 . 0 0 "[ ]" 1
871 1 140 GLU H 1 141 PHE H 3.000 . 3.300 2.582 2.582 2.582 . 0 0 "[ ]" 1
872 1 140 GLU HA 1 141 PHE H 3.000 . 3.300 3.470 3.470 3.470 0.170 1 0 "[ ]" 1
873 1 141 PHE QD 1 142 VAL H 4.000 . 7.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
874 1 141 PHE HA 1 142 VAL H 4.000 . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
875 1 141 PHE QB 1 142 VAL H 3.000 . 4.300 2.625 2.625 2.625 . 0 0 "[ ]" 1
876 1 142 VAL H 1 143 THR MG 4.000 . 6.500 5.485 5.485 5.485 . 0 0 "[ ]" 1
877 1 141 PHE H 1 142 VAL H 3.000 . 3.300 2.555 2.555 2.555 . 0 0 "[ ]" 1
878 1 142 VAL HA 1 143 THR H 4.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
879 1 142 VAL QG 1 143 THR H 4.000 . 7.400 2.649 2.649 2.649 . 0 0 "[ ]" 1
880 1 142 VAL H 1 143 THR H 2.500 . 2.700 2.442 2.442 2.442 . 0 0 "[ ]" 1
881 1 142 VAL HB 1 143 THR H 4.000 . 5.000 2.678 2.678 2.678 . 0 0 "[ ]" 1
882 1 143 THR H 1 144 MET H 2.500 . 2.700 2.710 2.710 2.710 0.010 1 0 "[ ]" 1
883 1 143 THR HB 1 144 MET H 4.000 . 5.000 3.203 3.203 3.203 . 0 0 "[ ]" 1
884 1 144 MET QB 1 145 MET H 3.000 . 4.300 2.537 2.537 2.537 . 0 0 "[ ]" 1
885 1 145 MET H 1 146 THR MG 4.000 . 6.500 4.588 4.588 4.588 . 0 0 "[ ]" 1
886 1 144 MET H 1 145 MET H 3.000 . 3.300 2.417 2.417 2.417 . 0 0 "[ ]" 1
887 1 144 MET QB 1 145 MET HA 4.000 . 6.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
888 1 145 MET H 1 146 THR H 4.000 . 5.000 2.399 2.399 2.399 . 0 0 "[ ]" 1
889 1 145 MET QB 1 146 THR H 4.000 . 6.000 3.006 3.006 3.006 . 0 0 "[ ]" 1
890 1 145 MET QB 1 146 THR MG 4.000 . 7.500 4.988 4.988 4.988 . 0 0 "[ ]" 1
891 1 146 THR MG 1 147 SER H 4.000 . 6.500 3.553 3.553 3.553 . 0 0 "[ ]" 1
892 1 146 THR H 1 147 SER H 4.000 . 5.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
893 1 146 THR HA 1 147 SER H 3.000 . 3.300 2.161 2.161 2.161 . 0 0 "[ ]" 1
894 1 146 THR HB 1 147 SER H 4.000 . 5.000 4.529 4.529 4.529 . 0 0 "[ ]" 1
895 1 147 SER HA 1 148 LYS H 3.000 . 3.300 2.307 2.307 2.307 . 0 0 "[ ]" 1
896 1 141 PHE HA 1 145 MET ME 3.000 . 4.800 2.863 2.863 2.863 . 0 0 "[ ]" 1
897 1 141 PHE QB 1 145 MET ME 3.000 . 5.800 3.838 3.838 3.838 . 0 0 "[ ]" 1
898 1 141 PHE QD 1 145 MET ME 4.000 . 8.500 2.666 2.666 2.666 . 0 0 "[ ]" 1
899 1 141 PHE HA 1 144 MET ME 4.000 . 6.500 3.537 3.537 3.537 . 0 0 "[ ]" 1
900 1 141 PHE QB 1 144 MET ME 4.000 . 7.500 4.935 4.935 4.935 . 0 0 "[ ]" 1
901 1 32 LEU QD 1 36 MET ME 2.500 . 6.600 2.090 2.090 2.090 . 0 0 "[ ]" 1
902 1 48 LEU QD 1 51 MET ME 4.000 . 7.200 3.162 3.162 3.162 . 0 0 "[ ]" 1
903 1 68 PHE QD 1 72 MET ME 2.500 . 6.200 4.088 4.088 4.088 . 0 0 "[ ]" 1
904 1 68 PHE QE 1 72 MET ME 2.500 . 6.200 2.270 2.270 2.270 . 0 0 "[ ]" 1
905 1 15 ALA MB 1 19 PHE QD 4.000 . 8.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
906 1 15 ALA MB 1 19 PHE QE 4.000 . 8.500 5.936 5.936 5.936 . 0 0 "[ ]" 1
907 1 65 PHE QD 1 69 LEU QD 4.000 . 9.400 4.652 4.652 4.652 . 0 0 "[ ]" 1
908 1 88 ALA MB 1 92 PHE QD 4.000 . 8.500 4.052 4.052 4.052 . 0 0 "[ ]" 1
909 1 88 ALA MB 1 92 PHE QE 4.000 . 8.500 3.722 3.722 3.722 . 0 0 "[ ]" 1
910 1 138 TYR QD 1 141 PHE QE 4.000 . 9.000 6.105 6.105 6.105 . 0 0 "[ ]" 1
911 1 138 TYR QE 1 141 PHE QE 4.000 . 9.000 5.414 5.414 5.414 . 0 0 "[ ]" 1
912 1 2 ASP HA 1 4 LEU QB 4.000 . 6.000 4.227 4.227 4.227 . 0 0 "[ ]" 1
913 1 2 ASP HA 1 5 THR MG 3.000 . 4.800 2.184 2.184 2.184 . 0 0 "[ ]" 1
914 1 2 ASP HA 1 4 LEU QD 4.000 . 7.400 3.898 3.898 3.898 . 0 0 "[ ]" 1
915 1 3 GLN QG 1 5 THR H 4.000 . 6.000 5.186 5.186 5.186 . 0 0 "[ ]" 1
916 1 6 GLU HA 1 9 ILE HB 4.000 . 5.000 2.423 2.423 2.423 . 0 0 "[ ]" 1
917 1 6 GLU HA 1 9 ILE MG 3.000 . 4.800 3.779 3.779 3.779 . 0 0 "[ ]" 1
918 1 6 GLU HA 1 9 ILE QG 4.000 . 6.000 2.861 2.861 2.861 . 0 0 "[ ]" 1
919 1 7 GLU HA 1 10 ALA MB 3.000 . 4.800 2.713 2.713 2.713 . 0 0 "[ ]" 1
920 1 6 GLU HA 1 8 GLN H 4.000 . 5.000 4.386 4.386 4.386 . 0 0 "[ ]" 1
921 1 8 GLN H 1 10 ALA MB 4.000 . 6.500 4.696 4.696 4.696 . 0 0 "[ ]" 1
922 1 8 GLN HA 1 11 GLU QB 4.000 . 6.000 2.350 2.350 2.350 . 0 0 "[ ]" 1
923 1 6 GLU HA 1 9 ILE H 4.000 . 5.000 3.349 3.349 3.349 . 0 0 "[ ]" 1
924 1 9 ILE HA 1 12 PHE QB 4.000 . 6.000 3.419 3.419 3.419 . 0 0 "[ ]" 1
925 1 9 ILE MG 1 12 PHE QD 4.000 . 8.500 3.923 3.923 3.923 . 0 0 "[ ]" 1
926 1 9 ILE MG 1 12 PHE QE 4.000 . 8.500 5.275 5.275 5.275 . 0 0 "[ ]" 1
927 1 9 ILE MG 1 13 LYS QE 4.000 . 7.500 5.018 5.018 5.018 . 0 0 "[ ]" 1
928 1 6 GLU QB 1 9 ILE MD 4.000 . 7.500 3.512 3.512 3.512 . 0 0 "[ ]" 1
929 1 6 GLU QG 1 9 ILE MD 4.000 . 7.500 2.265 2.265 2.265 . 0 0 "[ ]" 1
930 1 7 GLU HA 1 10 ALA H 4.000 . 5.000 3.704 3.704 3.704 . 0 0 "[ ]" 1
931 1 10 ALA HA 1 13 LYS QB 2.500 . 3.700 2.438 2.438 2.438 . 0 0 "[ ]" 1
932 1 10 ALA HA 1 13 LYS QG 4.000 . 6.000 4.316 4.316 4.316 . 0 0 "[ ]" 1
933 1 10 ALA HA 1 13 LYS QD 4.000 . 6.000 3.018 3.018 3.018 . 0 0 "[ ]" 1
934 1 7 GLU QB 1 10 ALA MB 4.000 . 7.500 4.375 4.375 4.375 . 0 0 "[ ]" 1
935 1 7 GLU QG 1 10 ALA MB 4.000 . 7.500 4.161 4.161 4.161 . 0 0 "[ ]" 1
936 1 8 GLN HA 1 11 GLU H 3.000 . 3.300 3.186 3.186 3.186 . 0 0 "[ ]" 1
937 1 9 ILE HA 1 12 PHE H 4.000 . 5.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
938 1 12 PHE HA 1 15 ALA MB 3.000 . 4.800 2.437 2.437 2.437 . 0 0 "[ ]" 1
939 1 10 ALA HA 1 13 LYS H 4.000 . 5.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
940 1 13 LYS HA 1 16 PHE QE 4.000 . 7.000 6.155 6.155 6.155 . 0 0 "[ ]" 1
941 1 14 GLU HA 1 17 SER QB 3.000 . 4.300 2.396 2.396 2.396 . 0 0 "[ ]" 1
942 1 12 PHE HA 1 15 ALA H 4.000 . 5.000 3.382 3.382 3.382 . 0 0 "[ ]" 1
943 1 11 GLU HA 1 15 ALA H 4.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
944 1 15 ALA HA 1 18 LEU QB 3.000 . 4.300 2.608 2.608 2.608 . 0 0 "[ ]" 1
945 1 15 ALA HA 1 18 LEU HG 4.000 . 6.000 4.864 4.864 4.864 . 0 0 "[ ]" 1
946 1 15 ALA HA 1 18 LEU QD 3.000 . 5.700 3.399 3.399 3.399 . 0 0 "[ ]" 1
947 1 15 ALA MB 1 18 LEU QD 4.000 . 8.900 4.304 4.304 4.304 . 0 0 "[ ]" 1
948 1 12 PHE HA 1 16 PHE H 4.000 . 5.000 4.427 4.427 4.427 . 0 0 "[ ]" 1
949 1 13 LYS HA 1 16 PHE H 4.000 . 5.000 3.410 3.410 3.410 . 0 0 "[ ]" 1
950 1 16 PHE HA 1 19 PHE QB 4.000 . 6.000 2.919 2.919 2.919 . 0 0 "[ ]" 1
951 1 13 LYS HA 1 16 PHE QB 4.000 . 6.000 2.672 2.672 2.672 . 0 0 "[ ]" 1
952 1 17 SER HA 1 20 ASP QB 4.000 . 6.000 3.260 3.260 3.260 . 0 0 "[ ]" 1
953 1 15 ALA HA 1 18 LEU H 4.000 . 5.000 3.451 3.451 3.451 . 0 0 "[ ]" 1
954 1 16 PHE HA 1 19 PHE H 4.000 . 5.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
955 1 17 SER HA 1 20 ASP H 4.000 . 5.000 3.993 3.993 3.993 . 0 0 "[ ]" 1
956 1 24 ASP H 1 26 THR H 4.000 . 5.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
957 1 27 ILE MG 1 32 LEU HA 4.000 . 6.500 4.161 4.161 4.161 . 0 0 "[ ]" 1
958 1 27 ILE MG 1 32 LEU QB 3.000 . 5.800 2.794 2.794 2.794 . 0 0 "[ ]" 1
959 1 29 THR HA 1 32 LEU QB 3.000 . 4.300 2.346 2.346 2.346 . 0 0 "[ ]" 1
960 1 29 THR HA 1 32 LEU HG 4.000 . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
961 1 29 THR HA 1 32 LEU QD 3.000 . 5.700 2.969 2.969 2.969 . 0 0 "[ ]" 1
962 1 29 THR MG 1 32 LEU QD 3.000 . 7.200 3.560 3.560 3.560 . 0 0 "[ ]" 1
963 1 29 THR MG 1 52 ILE MG 2.500 . 5.700 3.271 3.271 3.271 . 0 0 "[ ]" 1
964 1 28 THR HB 1 30 LYS H 4.000 . 5.000 2.556 2.556 2.556 . 0 0 "[ ]" 1
965 1 28 THR HA 1 30 LYS H 4.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
966 1 30 LYS HA 1 32 LEU QD 4.000 . 8.400 5.982 5.982 5.982 . 0 0 "[ ]" 1
967 1 27 ILE MG 1 31 GLU H 4.000 . 6.500 5.290 5.290 5.290 . 0 0 "[ ]" 1
968 1 31 GLU HA 1 34 THR HB 4.000 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
969 1 32 LEU HA 1 35 VAL HB 3.000 . 3.300 3.210 3.210 3.210 . 0 0 "[ ]" 1
970 1 32 LEU HA 1 35 VAL QG 4.000 . 7.400 3.737 3.737 3.737 . 0 0 "[ ]" 1
971 1 31 GLU HA 1 34 THR H 4.000 . 5.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
972 1 34 THR HA 1 37 ARG QB 2.500 . 3.700 3.007 3.007 3.007 . 0 0 "[ ]" 1
973 1 34 THR HA 1 37 ARG QD 4.000 . 6.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
974 1 30 LYS QB 1 34 THR MG 4.000 . 7.500 4.178 4.178 4.178 . 0 0 "[ ]" 1
975 1 30 LYS QD 1 34 THR MG 4.000 . 7.500 4.248 4.248 4.248 . 0 0 "[ ]" 1
976 1 32 LEU HA 1 35 VAL H 4.000 . 5.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
977 1 35 VAL HA 1 38 SER QB 4.000 . 6.000 2.951 2.951 2.951 . 0 0 "[ ]" 1
978 1 35 VAL HA 1 39 LEU QD 4.000 . 7.400 4.071 4.071 4.071 . 0 0 "[ ]" 1
979 1 35 VAL QG 1 39 LEU QD 4.000 . 9.800 2.447 2.447 2.447 . 0 0 "[ ]" 1
980 1 32 LEU QD 1 36 MET H 4.000 . 7.400 4.245 4.245 4.245 . 0 0 "[ ]" 1
981 1 33 GLY QA 1 36 MET H 4.000 . 6.000 4.123 4.123 4.123 . 0 0 "[ ]" 1
982 1 36 MET HA 1 39 LEU QD 2.500 . 5.100 3.115 3.115 3.115 . 0 0 "[ ]" 1
983 1 36 MET HA 1 39 LEU QB 3.000 . 4.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
984 1 36 MET ME 1 39 LEU QD 4.000 . 8.900 4.312 4.312 4.312 . 0 0 "[ ]" 1
985 1 34 THR HA 1 37 ARG H 4.000 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
986 1 35 VAL HA 1 38 SER H 4.000 . 5.000 3.299 3.299 3.299 . 0 0 "[ ]" 1
987 1 36 MET HA 1 39 LEU H 4.000 . 5.000 3.857 3.857 3.857 . 0 0 "[ ]" 1
988 1 37 ARG HA 1 41 GLN H 2.500 . 2.700 2.765 2.765 2.765 0.065 1 0 "[ ]" 1
989 1 41 GLN QB 1 43 PRO QD 4.000 . 7.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
990 1 44 THR H 1 47 GLU QG 4.000 . 6.000 3.931 3.931 3.931 . 0 0 "[ ]" 1
991 1 44 THR HA 1 47 GLU QB 4.000 . 6.000 5.054 5.054 5.054 . 0 0 "[ ]" 1
992 1 44 THR HB 1 47 GLU QG 4.000 . 6.000 3.632 3.632 3.632 . 0 0 "[ ]" 1
993 1 45 GLU H 1 48 LEU QD 4.000 . 7.400 4.501 4.501 4.501 . 0 0 "[ ]" 1
994 1 45 GLU HA 1 48 LEU QB 3.000 . 4.300 2.583 2.583 2.583 . 0 0 "[ ]" 1
995 1 44 THR MG 1 46 ALA H 3.000 . 5.300 4.427 4.427 4.427 . 0 0 "[ ]" 1
996 1 46 ALA HA 1 49 GLN QB 4.000 . 6.000 2.896 2.896 2.896 . 0 0 "[ ]" 1
997 1 46 ALA MB 1 48 LEU QD 4.000 . 8.900 5.283 5.283 5.283 . 0 0 "[ ]" 1
998 1 47 GLU HA 1 50 ASP QB 3.000 . 4.300 2.698 2.698 2.698 . 0 0 "[ ]" 1
999 1 45 GLU HA 1 48 LEU H 3.000 . 3.300 3.265 3.265 3.265 . 0 0 "[ ]" 1
1000 1 48 LEU HA 1 51 MET QB 3.000 . 4.300 2.636 2.636 2.636 . 0 0 "[ ]" 1
1001 1 48 LEU QD 1 51 MET QB 4.000 . 8.400 4.173 4.173 4.173 . 0 0 "[ ]" 1
1002 1 46 ALA HA 1 49 GLN H 4.000 . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
1003 1 49 GLN HA 1 52 ILE HB 2.500 . 2.700 2.705 2.705 2.705 0.005 1 0 "[ ]" 1
1004 1 49 GLN HA 1 52 ILE MD 3.000 . 4.800 3.305 3.305 3.305 . 0 0 "[ ]" 1
1005 1 49 GLN HA 1 52 ILE MG 3.000 . 4.800 3.282 3.282 3.282 . 0 0 "[ ]" 1
1006 1 47 GLU HA 1 50 ASP H 4.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
1007 1 50 ASP HA 1 53 ASN QB 2.500 . 3.700 2.718 2.718 2.718 . 0 0 "[ ]" 1
1008 1 51 MET HA 1 54 GLU QB 4.000 . 6.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
1009 1 51 MET HA 1 55 VAL QG 4.000 . 7.400 5.639 5.639 5.639 . 0 0 "[ ]" 1
1010 1 49 GLN HA 1 52 ILE H 4.000 . 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
1011 1 52 ILE HA 1 55 VAL QG 2.500 . 5.100 3.339 3.339 3.339 . 0 0 "[ ]" 1
1012 1 52 ILE MG 1 56 ASP QB 4.000 . 7.500 2.649 2.649 2.649 . 0 0 "[ ]" 1
1013 1 51 MET HA 1 53 ASN H 4.000 . 5.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
1014 1 49 GLN HA 1 53 ASN H 4.000 . 5.000 4.369 4.369 4.369 . 0 0 "[ ]" 1
1015 1 53 ASN HA 1 56 ASP QB 3.000 . 4.300 2.435 2.435 2.435 . 0 0 "[ ]" 1
1016 1 54 GLU HA 1 56 ASP H 4.000 . 5.000 4.900 4.900 4.900 . 0 0 "[ ]" 1
1017 1 53 ASN HA 1 56 ASP H 3.000 . 3.300 3.081 3.081 3.081 . 0 0 "[ ]" 1
1018 1 52 ILE MG 1 56 ASP H 4.000 . 6.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
1019 1 60 ASN H 1 62 THR H 4.000 . 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
1020 1 59 GLY QA 1 62 THR H 4.000 . 6.000 5.172 5.172 5.172 . 0 0 "[ ]" 1
1021 1 63 ILE MG 1 68 PHE HA 4.000 . 6.500 2.799 2.799 2.799 . 0 0 "[ ]" 1
1022 1 63 ILE MG 1 68 PHE QB 4.000 . 7.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
1023 1 63 ILE MG 1 67 GLU QB 4.000 . 7.500 1.906 1.906 1.906 . 0 0 "[ ]" 1
1024 1 64 ASP H 1 67 GLU QB 4.000 . 6.000 2.149 2.149 2.149 . 0 0 "[ ]" 1
1025 1 65 PHE HA 1 69 LEU QD 4.000 . 7.400 4.414 4.414 4.414 . 0 0 "[ ]" 1
1026 1 67 GLU HA 1 70 THR HB 4.000 . 5.000 2.332 2.332 2.332 . 0 0 "[ ]" 1
1027 1 67 GLU HA 1 70 THR MG 3.000 . 4.800 3.620 3.620 3.620 . 0 0 "[ ]" 1
1028 1 63 ILE MG 1 68 PHE H 4.000 . 6.500 2.777 2.777 2.777 . 0 0 "[ ]" 1
1029 1 63 ILE HB 1 68 PHE H 4.000 . 5.000 4.846 4.846 4.846 . 0 0 "[ ]" 1
1030 1 68 PHE HA 1 71 MET QB 3.000 . 4.300 2.578 2.578 2.578 . 0 0 "[ ]" 1
1031 1 68 PHE HA 1 70 THR MG 4.000 . 7.500 5.992 5.992 5.992 . 0 0 "[ ]" 1
1032 1 65 PHE HA 1 69 LEU H 4.000 . 5.000 3.746 3.746 3.746 . 0 0 "[ ]" 1
1033 1 67 GLU HA 1 70 THR H 4.000 . 5.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
1034 1 70 THR MG 1 74 ARG QD 4.000 . 7.500 3.781 3.781 3.781 . 0 0 "[ ]" 1
1035 1 68 PHE HA 1 71 MET H 4.000 . 5.000 3.150 3.150 3.150 . 0 0 "[ ]" 1
1036 1 71 MET HA 1 74 ARG QD 4.000 . 6.000 4.487 4.487 4.487 . 0 0 "[ ]" 1
1037 1 71 MET HA 1 74 ARG QB 4.000 . 6.000 3.131 3.131 3.131 . 0 0 "[ ]" 1
1038 1 69 LEU HA 1 72 MET H 3.500 . 4.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
1039 1 68 PHE HZ 1 72 MET ME 4.000 . 6.500 2.573 2.573 2.573 . 0 0 "[ ]" 1
1040 1 70 THR HA 1 73 ALA H 4.000 . 5.000 3.366 3.366 3.366 . 0 0 "[ ]" 1
1041 1 69 LEU HA 1 73 ALA H 4.000 . 5.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
1042 1 70 THR HA 1 73 ALA MB 4.000 . 6.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
1043 1 82 GLU HA 1 85 ILE MG 4.000 . 6.500 4.633 4.633 4.633 . 0 0 "[ ]" 1
1044 1 82 GLU HA 1 85 ILE MD 4.000 . 6.500 2.163 2.163 2.163 . 0 0 "[ ]" 1
1045 1 83 GLU HA 1 86 ARG QG 4.000 . 6.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
1046 1 83 GLU HA 1 86 ARG QD 4.000 . 6.000 2.876 2.876 2.876 . 0 0 "[ ]" 1
1047 1 83 GLU QG 1 86 ARG QD 4.000 . 7.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
1048 1 85 ILE HA 1 88 ALA MB 2.500 . 4.200 2.582 2.582 2.582 . 0 0 "[ ]" 1
1049 1 85 ILE MG 1 89 PHE QD 3.000 . 6.800 4.249 4.249 4.249 . 0 0 "[ ]" 1
1050 1 85 ILE MG 1 89 PHE QE 4.000 . 8.500 5.700 5.700 5.700 . 0 0 "[ ]" 1
1051 1 83 GLU HA 1 86 ARG QB 3.000 . 4.300 2.407 2.407 2.407 . 0 0 "[ ]" 1
1052 1 86 ARG HA 1 89 PHE QB 3.000 . 4.300 2.823 2.823 2.823 . 0 0 "[ ]" 1
1053 1 84 GLU HA 1 87 GLU H 4.000 . 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
1054 1 87 GLU HA 1 90 ARG QB 3.000 . 4.300 2.759 2.759 2.759 . 0 0 "[ ]" 1
1055 1 87 GLU HA 1 90 ARG QD 4.000 . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
1056 1 85 ILE HA 1 88 ALA H 4.000 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
1057 1 88 ALA HA 1 91 VAL HB 4.000 . 5.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
1058 1 88 ALA HA 1 91 VAL QG 3.000 . 5.700 2.431 2.431 2.431 . 0 0 "[ ]" 1
1059 1 88 ALA MB 1 91 VAL QG 4.000 . 8.900 3.779 3.779 3.779 . 0 0 "[ ]" 1
1060 1 85 ILE MD 1 88 ALA MB 4.000 . 8.000 5.092 5.092 5.092 . 0 0 "[ ]" 1
1061 1 86 ARG HA 1 89 PHE H 3.500 . 4.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
1062 1 89 PHE HA 1 92 PHE QD 3.500 . 6.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
1063 1 89 PHE HA 1 92 PHE QB 4.000 . 6.000 2.685 2.685 2.685 . 0 0 "[ ]" 1
1064 1 87 GLU HA 1 90 ARG H 3.000 . 3.300 3.421 3.421 3.421 0.121 1 0 "[ ]" 1
1065 1 90 ARG HA 1 93 ASP QB 3.000 . 4.300 2.894 2.894 2.894 . 0 0 "[ ]" 1
1066 1 88 ALA HA 1 91 VAL H 3.500 . 4.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
1067 1 87 GLU QG 1 91 VAL QG 4.000 . 8.400 3.226 3.226 3.226 . 0 0 "[ ]" 1
1068 1 90 ARG HA 1 93 ASP H 4.000 . 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
1069 1 97 ASN H 1 99 PHE H 4.000 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
1070 1 100 ILE MG 1 105 LEU HA 4.000 . 6.500 3.578 3.578 3.578 . 0 0 "[ ]" 1
1071 1 100 ILE MG 1 104 GLU QB 4.000 . 7.500 2.946 2.946 2.946 . 0 0 "[ ]" 1
1072 1 100 ILE MG 1 105 LEU QB 4.000 . 7.500 2.178 2.178 2.178 . 0 0 "[ ]" 1
1073 1 101 SER H 1 104 GLU QB 4.000 . 6.000 2.061 2.061 2.061 . 0 0 "[ ]" 1
1074 1 102 ALA HA 1 105 LEU QB 4.000 . 6.000 3.761 3.761 3.761 . 0 0 "[ ]" 1
1075 1 102 ALA HA 1 105 LEU QD 4.000 . 7.400 4.492 4.492 4.492 . 0 0 "[ ]" 1
1076 1 101 SER QB 1 103 ALA H 4.000 . 6.000 2.755 2.755 2.755 . 0 0 "[ ]" 1
1077 1 103 ALA HA 1 106 ARG QB 2.500 . 3.700 2.601 2.601 2.601 . 0 0 "[ ]" 1
1078 1 100 ILE MG 1 104 GLU H 4.000 . 7.500 4.863 4.863 4.863 . 0 0 "[ ]" 1
1079 1 104 GLU HA 1 107 HIS QB 4.000 . 6.000 3.203 3.203 3.203 . 0 0 "[ ]" 1
1080 1 102 ALA HA 1 105 LEU H 4.000 . 5.000 4.513 4.513 4.513 . 0 0 "[ ]" 1
1081 1 105 LEU HA 1 108 VAL HB 4.000 . 5.500 2.458 2.458 2.458 . 0 0 "[ ]" 1
1082 1 105 LEU QD 1 108 VAL QG 4.000 . 9.800 3.062 3.062 3.062 . 0 0 "[ ]" 1
1083 1 105 LEU QD 1 109 MET ME 3.000 . 7.200 2.323 2.323 2.323 . 0 0 "[ ]" 1
1084 1 103 ALA HA 1 106 ARG H 4.000 . 5.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
1085 1 106 ARG HA 1 109 MET QB 3.000 . 4.300 2.902 2.902 2.902 . 0 0 "[ ]" 1
1086 1 106 ARG QG 1 110 THR MG 4.000 . 7.500 4.058 4.058 4.058 . 0 0 "[ ]" 1
1087 1 104 GLU HA 1 107 HIS H 4.000 . 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
1088 1 107 HIS HA 1 110 THR HB 4.000 . 5.000 2.815 2.815 2.815 . 0 0 "[ ]" 1
1089 1 107 HIS HA 1 110 THR MG 4.000 . 6.500 4.102 4.102 4.102 . 0 0 "[ ]" 1
1090 1 105 LEU HA 1 108 VAL H 4.000 . 5.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
1091 1 106 ARG H 1 109 MET H 4.000 . 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
1092 1 109 MET HA 1 112 LEU QB 4.000 . 6.000 2.836 2.836 2.836 . 0 0 "[ ]" 1
1093 1 116 LEU QD 1 121 VAL HA 4.000 . 7.400 4.730 4.730 4.730 . 0 0 "[ ]" 1
1094 1 117 THR H 1 120 GLU QG 4.000 . 6.000 5.005 5.005 5.005 . 0 0 "[ ]" 1
1095 1 118 ASP HA 1 121 VAL HB 3.000 . 3.300 3.283 3.283 3.283 . 0 0 "[ ]" 1
1096 1 118 ASP HA 1 121 VAL QG 3.000 . 5.700 3.751 3.751 3.751 . 0 0 "[ ]" 1
1097 1 119 GLU HA 1 122 ASP QB 2.500 . 3.700 2.627 2.627 2.627 . 0 0 "[ ]" 1
1098 1 120 GLU HA 1 123 GLU QB 3.000 . 4.300 2.995 2.995 2.995 . 0 0 "[ ]" 1
1099 1 116 LEU QB 1 121 VAL H 4.000 . 6.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
1100 1 116 LEU QD 1 121 VAL H 4.000 . 8.400 4.197 4.197 4.197 . 0 0 "[ ]" 1
1101 1 119 GLU QB 1 121 VAL H 4.000 . 6.000 5.016 5.016 5.016 . 0 0 "[ ]" 1
1102 1 121 VAL HA 1 124 MET QB 3.000 . 4.300 2.327 2.327 2.327 . 0 0 "[ ]" 1
1103 1 121 VAL QG 1 125 ILE MD 4.000 . 9.900 2.160 2.160 2.160 . 0 0 "[ ]" 1
1104 1 121 VAL QG 1 124 MET QG 4.000 . 8.400 3.778 3.778 3.778 . 0 0 "[ ]" 1
1105 1 119 GLU HA 1 122 ASP H 4.000 . 5.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
1106 1 122 ASP HA 1 125 ILE HB 3.000 . 3.300 3.169 3.169 3.169 . 0 0 "[ ]" 1
1107 1 122 ASP HA 1 125 ILE MG 4.000 . 6.500 4.511 4.511 4.511 . 0 0 "[ ]" 1
1108 1 122 ASP HA 1 125 ILE QG 4.000 . 6.000 3.415 3.415 3.415 . 0 0 "[ ]" 1
1109 1 123 GLU HA 1 126 ARG QB 4.000 . 6.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
1110 1 121 VAL HA 1 124 MET H 4.000 . 5.000 3.178 3.178 3.178 . 0 0 "[ ]" 1
1111 1 124 MET HA 1 127 GLU QB 4.000 . 6.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
1112 1 122 ASP HA 1 125 ILE H 3.000 . 3.800 3.795 3.795 3.795 . 0 0 "[ ]" 1
1113 1 125 ILE HA 1 128 ALA MB 4.000 . 6.500 2.543 2.543 2.543 . 0 0 "[ ]" 1
1114 1 122 ASP HA 1 125 ILE MD 4.000 . 6.500 3.496 3.496 3.496 . 0 0 "[ ]" 1
1115 1 125 ILE MG 1 129 ASP QB 4.000 . 7.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
1116 1 123 GLU QB 1 126 ARG H 4.000 . 6.000 5.133 5.133 5.133 . 0 0 "[ ]" 1
1117 1 126 ARG HA 1 129 ASP QB 4.000 . 6.000 3.087 3.087 3.087 . 0 0 "[ ]" 1
1118 1 125 ILE HA 1 128 ALA H 4.000 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
1119 1 126 ARG HA 1 129 ASP H 4.000 . 5.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
1120 1 125 ILE MG 1 129 ASP H 4.000 . 6.500 4.193 4.193 4.193 . 0 0 "[ ]" 1
1121 1 136 VAL HA 1 140 GLU QB 4.000 . 6.000 3.368 3.368 3.368 . 0 0 "[ ]" 1
1122 1 136 VAL QG 1 141 PHE HA 4.000 . 7.400 3.213 3.213 3.213 . 0 0 "[ ]" 1
1123 1 136 VAL QG 1 141 PHE QB 4.000 . 8.400 2.536 2.536 2.536 . 0 0 "[ ]" 1
1124 1 136 VAL QG 1 140 GLU QB 4.000 . 8.400 2.397 2.397 2.397 . 0 0 "[ ]" 1
1125 1 138 TYR HA 1 141 PHE QB 3.000 . 4.300 2.361 2.361 2.361 . 0 0 "[ ]" 1
1126 1 138 TYR QD 1 142 VAL QG 4.000 . 10.400 2.775 2.775 2.775 . 0 0 "[ ]" 1
1127 1 138 TYR QE 1 142 VAL QG 4.000 . 9.400 2.259 2.259 2.259 . 0 0 "[ ]" 1
1128 1 139 GLU HA 1 142 VAL HB 4.000 . 5.500 2.967 2.967 2.967 . 0 0 "[ ]" 1
1129 1 139 GLU HA 1 142 VAL QG 4.000 . 7.400 3.609 3.609 3.609 . 0 0 "[ ]" 1
1130 1 140 GLU HA 1 143 THR HB 4.000 . 5.000 2.473 2.473 2.473 . 0 0 "[ ]" 1
1131 1 136 VAL QG 1 141 PHE H 4.000 . 7.400 3.314 3.314 3.314 . 0 0 "[ ]" 1
1132 1 138 TYR HA 1 141 PHE H 4.000 . 5.000 3.414 3.414 3.414 . 0 0 "[ ]" 1
1133 1 141 PHE HA 1 144 MET QB 3.000 . 4.300 3.172 3.172 3.172 . 0 0 "[ ]" 1
1134 1 139 GLU HA 1 142 VAL H 4.000 . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
1135 1 142 VAL HA 1 145 MET QB 4.000 . 6.000 3.257 3.257 3.257 . 0 0 "[ ]" 1
1136 1 142 VAL QG 1 146 THR MG 3.000 . 7.200 2.559 2.559 2.559 . 0 0 "[ ]" 1
1137 1 142 VAL QG 1 146 THR HB 3.000 . 5.700 2.338 2.338 2.338 . 0 0 "[ ]" 1
1138 1 142 VAL HA 1 146 THR MG 4.000 . 6.500 4.444 4.444 4.444 . 0 0 "[ ]" 1
1139 1 143 THR HA 1 146 THR HB 4.000 . 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
1140 1 144 MET QB 1 146 THR H 4.000 . 6.000 4.538 4.538 4.538 . 0 0 "[ ]" 1
1141 1 146 THR HA 1 148 LYS H 4.000 . 5.000 5.073 5.073 5.073 0.073 1 0 "[ ]" 1
1142 1 39 LEU QD 1 91 VAL QG 4.000 . 9.800 1.998 1.998 1.998 . 0 0 "[ ]" 1
1143 1 39 LEU QD 1 91 VAL HA 4.000 . 7.400 4.512 4.512 4.512 . 0 0 "[ ]" 1
1144 1 21 LYS QE 1 112 LEU QD 4.000 . 8.400 4.577 4.577 4.577 . 0 0 "[ ]" 1
1145 1 35 VAL QG 1 112 LEU QD 4.000 . 9.800 3.709 3.709 3.709 . 0 0 "[ ]" 1
1146 1 92 PHE HZ 1 109 MET ME 3.500 . 6.500 4.780 4.780 4.780 . 0 0 "[ ]" 1
1147 1 92 PHE QE 1 109 MET ME 4.000 . 8.500 3.605 3.605 3.605 . 0 0 "[ ]" 1
1148 1 128 ALA MB 1 144 MET ME 2.500 . 5.700 2.281 2.281 2.281 . 0 0 "[ ]" 1
1149 1 128 ALA HA 1 144 MET ME 2.500 . 4.200 2.976 2.976 2.976 . 0 0 "[ ]" 1
1150 1 19 PHE HZ 1 36 MET ME 4.000 . 6.500 4.830 4.830 4.830 . 0 0 "[ ]" 1
1151 1 32 LEU QD 1 51 MET ME 2.500 . 6.600 3.069 3.069 3.069 . 0 0 "[ ]" 1
1152 1 9 ILE MG 1 65 PHE QD 4.000 . 8.500 4.917 4.917 4.917 . 0 0 "[ ]" 1
1153 1 15 ALA MB 1 68 PHE QE 4.000 . 6.800 2.883 2.883 2.883 . 0 0 "[ ]" 1
1154 1 27 ILE MD 1 68 PHE QE 4.000 . 8.500 5.418 5.418 5.418 . 0 0 "[ ]" 1
1155 1 88 ALA MB 1 141 PHE QE 4.000 . 8.500 4.489 4.489 4.489 . 0 0 "[ ]" 1
1156 1 89 PHE QD 1 142 VAL QG 4.000 . 9.400 4.780 4.780 4.780 . 0 0 "[ ]" 1
1157 1 85 ILE MG 1 138 TYR QE 3.000 . 6.800 4.496 4.496 4.496 . 0 0 "[ ]" 1
1158 1 85 ILE MG 1 138 TYR QD 4.000 . 8.500 5.802 5.802 5.802 . 0 0 "[ ]" 1
1159 1 86 ARG QG 1 138 TYR QE 4.000 . 8.000 3.113 3.113 3.113 . 0 0 "[ ]" 1
1160 1 86 ARG QB 1 138 TYR QE 4.000 . 8.000 4.907 4.907 4.907 . 0 0 "[ ]" 1
1161 1 89 PHE QD 1 138 TYR QD 4.000 . 9.000 3.201 3.201 3.201 . 0 0 "[ ]" 1
1162 1 89 PHE QD 1 138 TYR QE 4.000 . 9.000 2.341 2.341 2.341 . 0 0 "[ ]" 1
1163 1 85 ILE MG 1 141 PHE QD 4.000 . 8.500 3.728 3.728 3.728 . 0 0 "[ ]" 1
1164 1 85 ILE MG 1 141 PHE QE 4.000 . 8.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
1165 1 9 ILE HA 1 69 LEU QD 4.000 . 7.400 3.436 3.436 3.436 . 0 0 "[ ]" 1
1166 1 9 ILE MG 1 69 LEU QD 3.000 . 7.200 3.229 3.229 3.229 . 0 0 "[ ]" 1
1167 1 12 PHE H 1 69 LEU QD 4.000 . 7.400 4.917 4.917 4.917 . 0 0 "[ ]" 1
1168 1 15 ALA MB 1 68 PHE QD 3.000 . 6.800 4.605 4.605 4.605 . 0 0 "[ ]" 1
1169 1 16 PHE HA 1 27 ILE MD 4.000 . 6.500 4.794 4.794 4.794 . 0 0 "[ ]" 1
1170 1 18 LEU HG 1 35 VAL QG 4.000 . 7.400 5.414 5.414 5.414 . 0 0 "[ ]" 1
1171 1 19 PHE HA 1 35 VAL QG 4.000 . 7.400 3.633 3.633 3.633 . 0 0 "[ ]" 1
1172 1 19 PHE QB 1 27 ILE MG 4.000 . 7.500 5.436 5.436 5.436 . 0 0 "[ ]" 1
1173 1 19 PHE HA 1 27 ILE MD 4.000 . 6.500 4.854 4.854 4.854 . 0 0 "[ ]" 1
1174 1 19 PHE QB 1 27 ILE MD 3.000 . 5.800 2.860 2.860 2.860 . 0 0 "[ ]" 1
1175 1 20 ASP HA 1 27 ILE MD 4.000 . 6.500 5.208 5.208 5.208 . 0 0 "[ ]" 1
1176 1 21 LYS H 1 31 GLU QB 4.000 . 6.000 4.203 4.203 4.203 . 0 0 "[ ]" 1
1177 1 21 LYS QD 1 35 VAL QG 4.000 . 8.400 3.310 3.310 3.310 . 0 0 "[ ]" 1
1178 1 26 THR HA 1 64 ASP HA 3.000 . 3.300 3.424 3.424 3.424 0.124 1 0 "[ ]" 1
1179 1 26 THR MG 1 62 THR HB 4.000 . 6.500 3.687 3.687 3.687 . 0 0 "[ ]" 1
1180 1 26 THR HB 1 62 THR HB 2.500 . 2.700 2.386 2.386 2.386 . 0 0 "[ ]" 1
1181 1 26 THR HB 1 62 THR MG 4.000 . 6.500 3.821 3.821 3.821 . 0 0 "[ ]" 1
1182 1 16 PHE QE 1 27 ILE MD 4.000 . 8.500 4.105 4.105 4.105 . 0 0 "[ ]" 1
1183 1 27 ILE MD 1 63 ILE MD 3.000 . 6.300 4.270 4.270 4.270 . 0 0 "[ ]" 1
1184 1 28 THR HA 1 62 THR HB 3.000 . 3.800 3.852 3.852 3.852 0.052 1 0 "[ ]" 1
1185 1 28 THR HA 1 62 THR MG 2.500 . 4.200 3.386 3.386 3.386 . 0 0 "[ ]" 1
1186 1 28 THR HA 1 62 THR HA 3.000 . 3.800 3.292 3.292 3.292 . 0 0 "[ ]" 1
1187 1 28 THR HA 1 52 ILE MD 3.000 . 4.800 2.813 2.813 2.813 . 0 0 "[ ]" 1
1188 1 28 THR MG 1 62 THR MG 3.000 . 6.300 2.082 2.082 2.082 . 0 0 "[ ]" 1
1189 1 28 THR MG 1 62 THR HB 4.000 . 6.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
1190 1 28 THR HB 1 62 THR MG 4.000 . 6.500 3.965 3.965 3.965 . 0 0 "[ ]" 1
1191 1 29 THR HA 1 52 ILE MD 3.000 . 4.800 2.909 2.909 2.909 . 0 0 "[ ]" 1
1192 1 29 THR MG 1 48 LEU QB 3.000 . 5.800 2.300 2.300 2.300 . 0 0 "[ ]" 1
1193 1 29 THR MG 1 49 GLN QB 4.000 . 7.500 2.802 2.802 2.802 . 0 0 "[ ]" 1
1194 1 29 THR MG 1 49 GLN QG 4.000 . 7.500 3.146 3.146 3.146 . 0 0 "[ ]" 1
1195 1 29 THR MG 1 52 ILE MD 2.500 . 5.700 1.917 1.917 1.917 . 0 0 "[ ]" 1
1196 1 19 PHE QD 1 32 LEU QD 4.000 . 9.400 5.167 5.167 5.167 . 0 0 "[ ]" 1
1197 1 19 PHE QE 1 32 LEU QD 4.000 . 9.400 3.823 3.823 3.823 . 0 0 "[ ]" 1
1198 1 19 PHE HZ 1 32 LEU QD 4.000 . 7.400 3.658 3.658 3.658 . 0 0 "[ ]" 1
1199 1 19 PHE QD 1 35 VAL QG 3.000 . 7.700 3.023 3.023 3.023 . 0 0 "[ ]" 1
1200 1 36 MET QG 1 48 LEU QD 4.000 . 8.400 4.364 4.364 4.364 . 0 0 "[ ]" 1
1201 1 37 ARG QB 1 48 LEU QD 4.000 . 8.400 4.891 4.891 4.891 . 0 0 "[ ]" 1
1202 1 29 THR MG 1 48 LEU H 4.000 . 6.500 4.771 4.771 4.771 . 0 0 "[ ]" 1
1203 1 29 THR MG 1 49 GLN HA 3.000 . 4.800 2.377 2.377 2.377 . 0 0 "[ ]" 1
1204 1 52 ILE MD 1 63 ILE QG 4.000 . 7.500 4.299 4.299 4.299 . 0 0 "[ ]" 1
1205 1 52 ILE MD 1 63 ILE MD 4.000 . 9.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
1206 1 52 ILE MD 1 62 THR HA 4.000 . 6.500 4.064 4.064 4.064 . 0 0 "[ ]" 1
1207 1 55 VAL QG 1 63 ILE MG 4.000 . 8.900 3.691 3.691 3.691 . 0 0 "[ ]" 1
1208 1 55 VAL QG 1 63 ILE QG 4.000 . 8.400 3.836 3.836 3.836 . 0 0 "[ ]" 1
1209 1 56 ASP HA 1 63 ILE MD 4.000 . 6.500 4.849 4.849 4.849 . 0 0 "[ ]" 1
1210 1 28 THR MG 1 62 THR HA 4.000 . 7.500 3.579 3.579 3.579 . 0 0 "[ ]" 1
1211 1 27 ILE H 1 63 ILE H 4.000 . 5.000 3.132 3.132 3.132 . 0 0 "[ ]" 1
1212 1 27 ILE HB 1 63 ILE MG 4.000 . 6.500 3.799 3.799 3.799 . 0 0 "[ ]" 1
1213 1 26 THR MG 1 64 ASP HA 4.000 . 6.500 2.296 2.296 2.296 . 0 0 "[ ]" 1
1214 1 16 PHE QE 1 64 ASP HA 4.000 . 7.000 2.810 2.810 2.810 . 0 0 "[ ]" 1
1215 1 27 ILE MD 1 68 PHE QD 4.000 . 8.500 5.740 5.740 5.740 . 0 0 "[ ]" 1
1216 1 12 PHE QB 1 69 LEU QD 4.000 . 8.400 3.449 3.449 3.449 . 0 0 "[ ]" 1
1217 1 12 PHE QD 1 69 LEU QD 3.000 . 7.700 2.453 2.453 2.453 . 0 0 "[ ]" 1
1218 1 12 PHE QE 1 69 LEU QD 4.000 . 9.400 2.220 2.220 2.220 . 0 0 "[ ]" 1
1219 1 55 VAL QG 1 71 MET HA 4.000 . 7.400 4.728 4.728 4.728 . 0 0 "[ ]" 1
1220 1 85 ILE MG 1 142 VAL QG 4.000 . 8.900 3.529 3.529 3.529 . 0 0 "[ ]" 1
1221 1 86 ARG HA 1 138 TYR QE 3.000 . 5.300 3.690 3.690 3.690 . 0 0 "[ ]" 1
1222 1 86 ARG HA 1 138 TYR QD 4.000 . 7.000 5.857 5.857 5.857 . 0 0 "[ ]" 1
1223 1 88 ALA MB 1 141 PHE HZ 4.000 . 6.500 3.896 3.896 3.896 . 0 0 "[ ]" 1
1224 1 89 PHE HA 1 100 ILE MD 4.000 . 6.500 5.299 5.299 5.299 . 0 0 "[ ]" 1
1225 1 89 PHE QB 1 141 PHE QE 4.000 . 8.000 4.116 4.116 4.116 . 0 0 "[ ]" 1
1226 1 91 VAL QG 1 108 VAL QG 4.000 . 9.800 3.100 3.100 3.100 . 0 0 "[ ]" 1
1227 1 92 PHE HA 1 100 ILE MD 4.000 . 6.500 5.205 5.205 5.205 . 0 0 "[ ]" 1
1228 1 92 PHE HA 1 108 VAL QG 4.000 . 7.400 2.335 2.335 2.335 . 0 0 "[ ]" 1
1229 1 93 ASP H 1 100 ILE MD 4.000 . 6.500 5.066 5.066 5.066 . 0 0 "[ ]" 1
1230 1 99 PHE HA 1 137 ASN HA 3.000 . 3.300 2.905 2.905 2.905 . 0 0 "[ ]" 1
1231 1 99 PHE QD 1 135 GLN QB 4.000 . 8.000 3.402 3.402 3.402 . 0 0 "[ ]" 1
1232 1 99 PHE QD 1 135 GLN QG 4.000 . 8.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
1233 1 100 ILE H 1 136 VAL H 4.000 . 5.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
1234 1 100 ILE H 1 136 VAL HB 4.000 . 5.000 2.769 2.769 2.769 . 0 0 "[ ]" 1
1235 1 89 PHE QE 1 100 ILE MD 4.000 . 8.500 3.250 3.250 3.250 . 0 0 "[ ]" 1
1236 1 89 PHE QD 1 100 ILE MD 4.000 . 8.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
1237 1 100 ILE MD 1 136 VAL HB 4.000 . 6.500 2.734 2.734 2.734 . 0 0 "[ ]" 1
1238 1 100 ILE HB 1 136 VAL HB 4.000 . 5.000 2.429 2.429 2.429 . 0 0 "[ ]" 1
1239 1 100 ILE HB 1 136 VAL QG 4.000 . 7.400 2.985 2.985 2.985 . 0 0 "[ ]" 1
1240 1 92 PHE QB 1 100 ILE MD 3.000 . 5.800 2.950 2.950 2.950 . 0 0 "[ ]" 1
1241 1 100 ILE MD 1 136 VAL QG 3.000 . 7.200 2.543 2.543 2.543 . 0 0 "[ ]" 1
1242 1 92 PHE QB 1 100 ILE MG 4.000 . 7.500 3.551 3.551 3.551 . 0 0 "[ ]" 1
1243 1 100 ILE MG 1 125 ILE MD 4.000 . 8.000 2.877 2.877 2.877 . 0 0 "[ ]" 1
1244 1 100 ILE MG 1 136 VAL QG 3.000 . 7.200 3.709 3.709 3.709 . 0 0 "[ ]" 1
1245 1 101 SER HA 1 135 GLN HA 4.000 . 5.000 4.165 4.165 4.165 . 0 0 "[ ]" 1
1246 1 101 SER HA 1 135 GLN QB 4.000 . 6.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
1247 1 101 SER HA 1 135 GLN QG 4.000 . 6.000 3.008 3.008 3.008 . 0 0 "[ ]" 1
1248 1 101 SER HA 1 125 ILE MD 4.000 . 6.500 3.609 3.609 3.609 . 0 0 "[ ]" 1
1249 1 102 ALA H 1 125 ILE MG 4.000 . 6.500 4.866 4.866 4.866 . 0 0 "[ ]" 1
1250 1 102 ALA H 1 125 ILE MD 4.000 . 7.500 3.624 3.624 3.624 . 0 0 "[ ]" 1
1251 1 102 ALA HA 1 125 ILE MD 3.000 . 4.800 2.455 2.455 2.455 . 0 0 "[ ]" 1
1252 1 102 ALA HA 1 121 VAL QG 4.000 . 7.400 2.775 2.775 2.775 . 0 0 "[ ]" 1
1253 1 102 ALA MB 1 121 VAL QG 4.000 . 8.900 3.384 3.384 3.384 . 0 0 "[ ]" 1
1254 1 102 ALA MB 1 125 ILE MD 4.000 . 9.000 3.202 3.202 3.202 . 0 0 "[ ]" 1
1255 1 102 ALA HA 1 125 ILE QG 4.000 . 6.000 4.245 4.245 4.245 . 0 0 "[ ]" 1
1256 1 103 ALA HA 1 121 VAL QG 4.000 . 8.400 5.233 5.233 5.233 . 0 0 "[ ]" 1
1257 1 92 PHE QD 1 105 LEU QD 3.000 . 7.700 2.380 2.380 2.380 . 0 0 "[ ]" 1
1258 1 92 PHE QE 1 105 LEU QD 3.000 . 7.700 2.886 2.886 2.886 . 0 0 "[ ]" 1
1259 1 92 PHE QB 1 105 LEU QD 4.000 . 9.400 3.387 3.387 3.387 . 0 0 "[ ]" 1
1260 1 105 LEU QD 1 121 VAL QG 4.000 . 9.800 1.849 1.849 1.849 . 0 0 "[ ]" 1
1261 1 105 LEU QD 1 124 MET QB 3.000 . 6.700 3.811 3.811 3.811 . 0 0 "[ ]" 1
1262 1 105 LEU QB 1 125 ILE MD 4.000 . 7.500 3.072 3.072 3.072 . 0 0 "[ ]" 1
1263 1 106 ARG HA 1 121 VAL QG 3.000 . 5.700 2.967 2.967 2.967 . 0 0 "[ ]" 1
1264 1 106 ARG HA 1 116 LEU QD 4.000 . 8.400 4.626 4.626 4.626 . 0 0 "[ ]" 1
1265 1 106 ARG QG 1 121 VAL QG 4.000 . 8.400 3.426 3.426 3.426 . 0 0 "[ ]" 1
1266 1 106 ARG QD 1 121 VAL QG 4.000 . 8.400 4.504 4.504 4.504 . 0 0 "[ ]" 1
1267 1 106 ARG QB 1 121 VAL QG 4.000 . 8.400 3.329 3.329 3.329 . 0 0 "[ ]" 1
1268 1 92 PHE QD 1 108 VAL QG 4.000 . 9.400 3.556 3.556 3.556 . 0 0 "[ ]" 1
1269 1 92 PHE QE 1 108 VAL QG 4.000 . 9.400 3.793 3.793 3.793 . 0 0 "[ ]" 1
1270 1 92 PHE HZ 1 108 VAL QG 4.000 . 8.400 4.395 4.395 4.395 . 0 0 "[ ]" 1
1271 1 109 MET HA 1 116 LEU QD 4.000 . 8.400 3.714 3.714 3.714 . 0 0 "[ ]" 1
1272 1 109 MET ME 1 116 LEU QD 3.000 . 7.200 3.232 3.232 3.232 . 0 0 "[ ]" 1
1273 1 109 MET QB 1 121 VAL QG 4.000 . 9.400 3.219 3.219 3.219 . 0 0 "[ ]" 1
1274 1 109 MET QG 1 121 VAL QG 4.000 . 9.400 3.977 3.977 3.977 . 0 0 "[ ]" 1
1275 1 116 LEU QD 1 124 MET ME 4.000 . 9.900 4.145 4.145 4.145 . 0 0 "[ ]" 1
1276 1 105 LEU QD 1 125 ILE H 4.000 . 8.400 4.667 4.667 4.667 . 0 0 "[ ]" 1
1277 1 125 ILE HA 1 136 VAL QG 4.000 . 7.400 2.910 2.910 2.910 . 0 0 "[ ]" 1
1278 1 125 ILE MD 1 136 VAL QG 4.000 . 8.900 3.383 3.383 3.383 . 0 0 "[ ]" 1
1279 1 125 ILE MD 1 136 VAL HB 4.000 . 6.500 4.644 4.644 4.644 . 0 0 "[ ]" 1
1280 1 125 ILE MD 1 135 GLN HA 4.000 . 6.500 4.116 4.116 4.116 . 0 0 "[ ]" 1
1281 1 125 ILE MG 1 136 VAL QG 4.000 . 9.900 1.971 1.971 1.971 . 0 0 "[ ]" 1
1282 1 128 ALA MB 1 136 VAL QG 4.000 . 8.900 2.192 2.192 2.192 . 0 0 "[ ]" 1
1283 1 128 ALA MB 1 136 VAL HB 4.000 . 6.500 4.745 4.745 4.745 . 0 0 "[ ]" 1
1284 1 125 ILE MG 1 135 GLN HA 3.000 . 4.800 2.842 2.842 2.842 . 0 0 "[ ]" 1
1285 1 100 ILE HB 1 136 VAL H 4.000 . 5.000 3.085 3.085 3.085 . 0 0 "[ ]" 1
1286 1 125 ILE MG 1 136 VAL H 4.000 . 6.500 3.178 3.178 3.178 . 0 0 "[ ]" 1
1287 1 100 ILE MD 1 136 VAL H 4.000 . 6.500 4.461 4.461 4.461 . 0 0 "[ ]" 1
1288 1 89 PHE HZ 1 138 TYR H 4.000 . 5.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
1289 1 100 ILE MD 1 141 PHE QD 4.000 . 8.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
1290 1 100 ILE MD 1 141 PHE QE 4.000 . 8.500 3.776 3.776 3.776 . 0 0 "[ ]" 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 153
_Distance_constraint_stats_list.Viol_count 24
_Distance_constraint_stats_list.Viol_total 3.198
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0559
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0209
_Distance_constraint_stats_list.Viol_average_violations_only 0.1332
_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
2 1 LYS 0.000 0.000 . 0 "[ ]"
2 3 ARG 0.000 0.000 . 0 "[ ]"
2 4 TRP 0.000 0.000 . 0 "[ ]"
2 5 LYS 0.128 0.128 1 0 "[ ]"
2 6 LYS 0.329 0.161 1 0 "[ ]"
2 7 ASN 0.251 0.161 1 0 "[ ]"
2 8 PHE 0.183 0.154 1 0 "[ ]"
2 9 ILE 0.519 0.245 1 0 "[ ]"
2 10 ALA 0.275 0.200 1 0 "[ ]"
2 11 VAL 0.670 0.297 1 0 "[ ]"
2 12 SER 0.088 0.088 1 0 "[ ]"
2 13 ALA 0.248 0.132 1 0 "[ ]"
2 14 ALA 0.291 0.176 1 0 "[ ]"
2 15 ASN 0.049 0.049 1 0 "[ ]"
2 16 ARG 0.049 0.049 1 0 "[ ]"
2 17 PHE 0.000 0.000 . 0 "[ ]"
2 18 LYS 0.212 0.212 1 0 "[ ]"
2 19 LYS 0.345 0.204 1 0 "[ ]"
2 20 ILE 0.499 0.227 1 0 "[ ]"
2 21 SER 0.164 0.110 1 0 "[ ]"
2 22 SER 0.000 0.000 . 0 "[ ]"
2 23 SER 0.000 0.000 . 0 "[ ]"
2 26 LEU 0.000 0.000 . 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 2 1 LYS HA 2 1 LYS QB 2.500 . 3.700 2.414 2.414 2.414 . 0 0 "[ ]" 2
2 2 4 TRP H 2 4 TRP HA 3.000 . 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 2
3 2 4 TRP H 2 4 TRP QB 3.000 . 3.900 2.402 2.402 2.402 . 0 0 "[ ]" 2
4 2 4 TRP HA 2 4 TRP QB 2.500 . 3.700 2.408 2.408 2.408 . 0 0 "[ ]" 2
5 2 4 TRP HA 2 4 TRP HD1 4.000 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 2
6 2 4 TRP QB 2 4 TRP HD1 2.500 . 3.700 2.789 2.789 2.789 . 0 0 "[ ]" 2
7 2 4 TRP HA 2 4 TRP HE3 4.000 . 5.000 3.743 3.743 3.743 . 0 0 "[ ]" 2
8 2 4 TRP QB 2 4 TRP HE3 3.000 . 4.300 2.216 2.216 2.216 . 0 0 "[ ]" 2
9 2 5 LYS H 2 5 LYS HA 2.500 . 2.700 2.828 2.828 2.828 0.128 1 0 "[ ]" 2
10 2 5 LYS H 2 5 LYS QB 2.500 . 3.300 2.392 2.392 2.392 . 0 0 "[ ]" 2
11 2 5 LYS HA 2 5 LYS QB 2.500 . 3.700 2.388 2.388 2.388 . 0 0 "[ ]" 2
12 2 6 LYS H 2 6 LYS HA 2.500 . 2.700 2.778 2.778 2.778 0.078 1 0 "[ ]" 2
13 2 6 LYS H 2 6 LYS QB 2.500 . 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 2
14 2 6 LYS HA 2 6 LYS QB 2.500 . 3.700 2.169 2.169 2.169 . 0 0 "[ ]" 2
15 2 7 ASN H 2 7 ASN HA 3.000 . 3.300 2.898 2.898 2.898 . 0 0 "[ ]" 2
16 2 7 ASN H 2 7 ASN QB 2.500 . 3.300 2.079 2.079 2.079 . 0 0 "[ ]" 2
17 2 7 ASN HA 2 7 ASN QB 2.500 . 3.700 2.546 2.546 2.546 . 0 0 "[ ]" 2
18 2 8 PHE H 2 8 PHE QD 4.000 . 7.000 4.044 4.044 4.044 . 0 0 "[ ]" 2
19 2 8 PHE H 2 8 PHE HA 2.500 . 2.700 2.854 2.854 2.854 0.154 1 0 "[ ]" 2
20 2 8 PHE H 2 8 PHE QB 2.500 . 3.300 2.167 2.167 2.167 . 0 0 "[ ]" 2
21 2 8 PHE HA 2 8 PHE QB 2.500 . 3.700 2.260 2.260 2.260 . 0 0 "[ ]" 2
22 2 8 PHE QB 2 8 PHE QD 2.500 . 5.700 2.157 2.157 2.157 . 0 0 "[ ]" 2
23 2 8 PHE HA 2 8 PHE QD 2.500 . 4.700 2.713 2.713 2.713 . 0 0 "[ ]" 2
24 2 9 ILE H 2 9 ILE HA 2.500 . 2.700 2.745 2.745 2.745 0.045 1 0 "[ ]" 2
25 2 9 ILE H 2 9 ILE HB 2.500 . 2.700 2.192 2.192 2.192 . 0 0 "[ ]" 2
26 2 9 ILE H 2 9 ILE MG 2.500 . 4.200 3.647 3.647 3.647 . 0 0 "[ ]" 2
27 2 9 ILE H 2 9 ILE MD 4.000 . 6.500 3.615 3.615 3.615 . 0 0 "[ ]" 2
28 2 9 ILE HA 2 9 ILE HB 2.500 . 2.700 2.945 2.945 2.945 0.245 1 0 "[ ]" 2
29 2 9 ILE HA 2 9 ILE MG 2.500 . 3.800 2.652 2.652 2.652 . 0 0 "[ ]" 2
30 2 9 ILE HA 2 9 ILE MD 3.000 . 4.800 3.728 3.728 3.728 . 0 0 "[ ]" 2
31 2 10 ALA H 2 10 ALA HA 2.500 . 2.700 2.775 2.775 2.775 0.075 1 0 "[ ]" 2
32 2 10 ALA H 2 10 ALA MB 2.500 . 3.800 2.270 2.270 2.270 . 0 0 "[ ]" 2
33 2 11 VAL H 2 11 VAL HA 2.500 . 2.700 2.809 2.809 2.809 0.109 1 0 "[ ]" 2
34 2 11 VAL H 2 11 VAL HB 2.500 . 2.700 2.500 2.500 2.500 . 0 0 "[ ]" 2
35 2 11 VAL H 2 11 VAL QG 2.500 . 4.400 2.271 2.271 2.271 . 0 0 "[ ]" 2
36 2 11 VAL HA 2 11 VAL HB 2.500 . 2.700 2.997 2.997 2.997 0.297 1 0 "[ ]" 2
37 2 11 VAL HA 2 11 VAL QG 2.500 . 3.300 2.061 2.061 2.061 . 0 0 "[ ]" 2
38 2 12 SER H 2 12 SER QB 3.000 . 3.900 2.235 2.235 2.235 . 0 0 "[ ]" 2
39 2 13 ALA H 2 13 ALA HA 2.500 . 2.700 2.832 2.832 2.832 0.132 1 0 "[ ]" 2
40 2 13 ALA H 2 13 ALA MB 2.500 . 3.800 2.193 2.193 2.193 . 0 0 "[ ]" 2
41 2 14 ALA H 2 14 ALA HA 3.000 . 3.300 2.875 2.875 2.875 . 0 0 "[ ]" 2
42 2 15 ASN H 2 15 ASN QB 3.000 . 3.900 2.228 2.228 2.228 . 0 0 "[ ]" 2
43 2 15 ASN HA 2 15 ASN QB 2.500 . 4.200 2.265 2.265 2.265 . 0 0 "[ ]" 2
44 2 16 ARG HA 2 16 ARG QB 2.500 . 3.700 2.424 2.424 2.424 . 0 0 "[ ]" 2
45 2 17 PHE H 2 17 PHE HA 3.000 . 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 2
46 2 17 PHE H 2 17 PHE QB 3.000 . 3.900 2.194 2.194 2.194 . 0 0 "[ ]" 2
47 2 17 PHE H 2 17 PHE QD 3.000 . 5.300 2.945 2.945 2.945 . 0 0 "[ ]" 2
48 2 17 PHE HA 2 17 PHE QB 2.500 . 3.700 2.479 2.479 2.479 . 0 0 "[ ]" 2
49 2 17 PHE HA 2 17 PHE QD 2.500 . 4.700 2.482 2.482 2.482 . 0 0 "[ ]" 2
50 2 17 PHE HA 2 17 PHE QE 3.000 . 5.300 4.060 4.060 4.060 . 0 0 "[ ]" 2
51 2 18 LYS H 2 18 LYS HA 2.500 . 2.700 2.912 2.912 2.912 0.212 1 0 "[ ]" 2
52 2 18 LYS H 2 18 LYS QB 2.500 . 3.300 2.310 2.310 2.310 . 0 0 "[ ]" 2
53 2 18 LYS HA 2 18 LYS QB 2.500 . 3.700 2.430 2.430 2.430 . 0 0 "[ ]" 2
54 2 18 LYS HA 2 18 LYS QD 4.000 . 6.000 3.955 3.955 3.955 . 0 0 "[ ]" 2
55 2 19 LYS H 2 19 LYS HA 2.500 . 2.700 2.904 2.904 2.904 0.204 1 0 "[ ]" 2
56 2 19 LYS H 2 19 LYS QB 2.500 . 3.300 2.124 2.124 2.124 . 0 0 "[ ]" 2
57 2 19 LYS HA 2 19 LYS QB 2.500 . 3.700 2.527 2.527 2.527 . 0 0 "[ ]" 2
58 2 20 ILE H 2 20 ILE HA 2.500 . 2.700 2.778 2.778 2.778 0.078 1 0 "[ ]" 2
59 2 20 ILE H 2 20 ILE HB 2.500 . 2.700 2.182 2.182 2.182 . 0 0 "[ ]" 2
60 2 20 ILE H 2 20 ILE MG 3.000 . 4.800 3.607 3.607 3.607 . 0 0 "[ ]" 2
61 2 20 ILE HA 2 20 ILE HB 2.500 . 2.700 2.927 2.927 2.927 0.227 1 0 "[ ]" 2
62 2 20 ILE HA 2 20 ILE QG 2.500 . 3.300 2.140 2.140 2.140 . 0 0 "[ ]" 2
63 2 20 ILE HA 2 20 ILE MG 2.500 . 3.800 2.788 2.788 2.788 . 0 0 "[ ]" 2
64 2 20 ILE HA 2 20 ILE MD 2.500 . 4.200 3.667 3.667 3.667 . 0 0 "[ ]" 2
65 2 21 SER H 2 21 SER HA 2.500 . 2.700 2.810 2.810 2.810 0.110 1 0 "[ ]" 2
66 2 21 SER H 2 21 SER QB 2.500 . 3.300 2.384 2.384 2.384 . 0 0 "[ ]" 2
67 2 21 SER HA 2 21 SER QB 2.500 . 3.700 2.222 2.222 2.222 . 0 0 "[ ]" 2
68 2 22 SER HA 2 22 SER QB 2.500 . 3.700 2.410 2.410 2.410 . 0 0 "[ ]" 2
69 2 23 SER HA 2 23 SER QB 2.500 . 3.700 2.414 2.414 2.414 . 0 0 "[ ]" 2
70 2 26 LEU HA 2 26 LEU QB 2.500 . 3.700 2.410 2.410 2.410 . 0 0 "[ ]" 2
71 2 3 ARG H 2 4 TRP H 4.000 . 5.000 4.287 4.287 4.287 . 0 0 "[ ]" 2
72 2 4 TRP H 2 5 LYS H 2.500 . 2.700 2.518 2.518 2.518 . 0 0 "[ ]" 2
73 2 4 TRP HA 2 5 LYS H 4.000 . 5.000 3.252 3.252 3.252 . 0 0 "[ ]" 2
74 2 4 TRP QB 2 5 LYS H 4.000 . 6.000 3.270 3.270 3.270 . 0 0 "[ ]" 2
75 2 5 LYS QB 2 6 LYS H 3.000 . 4.300 2.120 2.120 2.120 . 0 0 "[ ]" 2
76 2 6 LYS H 2 7 ASN H 2.500 . 2.700 2.791 2.791 2.791 0.091 1 0 "[ ]" 2
77 2 6 LYS HA 2 7 ASN H 3.000 . 3.300 3.461 3.461 3.461 0.161 1 0 "[ ]" 2
78 2 7 ASN H 2 8 PHE H 2.500 . 2.700 2.581 2.581 2.581 . 0 0 "[ ]" 2
79 2 7 ASN QB 2 8 PHE H 4.000 . 6.000 2.511 2.511 2.511 . 0 0 "[ ]" 2
80 2 8 PHE QD 2 9 ILE HA 4.000 . 7.000 3.188 3.188 3.188 . 0 0 "[ ]" 2
81 2 8 PHE QD 2 9 ILE HB 3.000 . 5.300 3.959 3.959 3.959 . 0 0 "[ ]" 2
82 2 8 PHE QD 2 9 ILE MG 3.000 . 6.800 4.717 4.717 4.717 . 0 0 "[ ]" 2
83 2 8 PHE QD 2 9 ILE MD 4.000 . 8.500 3.854 3.854 3.854 . 0 0 "[ ]" 2
84 2 8 PHE H 2 9 ILE H 2.500 . 2.700 2.729 2.729 2.729 0.029 1 0 "[ ]" 2
85 2 8 PHE QD 2 9 ILE H 3.000 . 5.300 2.521 2.521 2.521 . 0 0 "[ ]" 2
86 2 8 PHE HA 2 9 ILE H 4.000 . 5.000 3.533 3.533 3.533 . 0 0 "[ ]" 2
87 2 9 ILE H 2 10 ALA MB 4.000 . 6.500 4.484 4.484 4.484 . 0 0 "[ ]" 2
88 2 9 ILE H 2 10 ALA H 2.500 . 2.700 2.900 2.900 2.900 0.200 1 0 "[ ]" 2
89 2 9 ILE HA 2 10 ALA H 4.000 . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 2
90 2 9 ILE HB 2 10 ALA H 2.500 . 2.700 2.470 2.470 2.470 . 0 0 "[ ]" 2
91 2 9 ILE MG 2 10 ALA H 3.000 . 4.800 2.431 2.431 2.431 . 0 0 "[ ]" 2
92 2 9 ILE QG 2 10 ALA HA 3.000 . 4.300 2.756 2.756 2.756 . 0 0 "[ ]" 2
93 2 10 ALA H 2 11 VAL H 3.000 . 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 2
94 2 10 ALA HA 2 11 VAL H 4.000 . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 2
95 2 10 ALA MB 2 11 VAL H 2.500 . 4.200 2.144 2.144 2.144 . 0 0 "[ ]" 2
96 2 10 ALA MB 2 11 VAL QG 3.000 . 7.200 3.017 3.017 3.017 . 0 0 "[ ]" 2
97 2 11 VAL H 2 12 SER H 3.000 . 3.300 2.654 2.654 2.654 . 0 0 "[ ]" 2
98 2 11 VAL HB 2 12 SER H 2.500 . 2.700 2.788 2.788 2.788 0.088 1 0 "[ ]" 2
99 2 11 VAL QG 2 12 SER H 3.000 . 5.700 3.324 3.324 3.324 . 0 0 "[ ]" 2
100 2 12 SER H 2 13 ALA H 2.500 . 2.700 2.675 2.675 2.675 . 0 0 "[ ]" 2
101 2 12 SER HA 2 13 ALA H 4.000 . 5.000 3.540 3.540 3.540 . 0 0 "[ ]" 2
102 2 12 SER QB 2 13 ALA H 4.000 . 6.000 2.617 2.617 2.617 . 0 0 "[ ]" 2
103 2 13 ALA H 2 14 ALA H 2.500 . 2.700 2.815 2.815 2.815 0.115 1 0 "[ ]" 2
104 2 13 ALA HA 2 14 ALA H 4.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 2
105 2 13 ALA MB 2 14 ALA H 2.500 . 4.200 2.299 2.299 2.299 . 0 0 "[ ]" 2
106 2 14 ALA H 2 15 ASN H 3.000 . 3.300 2.764 2.764 2.764 . 0 0 "[ ]" 2
107 2 14 ALA MB 2 15 ASN H 2.500 . 4.200 2.473 2.473 2.473 . 0 0 "[ ]" 2
108 2 15 ASN H 2 16 ARG H 2.500 . 2.700 2.749 2.749 2.749 0.049 1 0 "[ ]" 2
109 2 15 ASN QB 2 16 ARG H 4.000 . 6.000 2.684 2.684 2.684 . 0 0 "[ ]" 2
110 2 16 ARG H 2 17 PHE H 2.500 . 2.700 2.590 2.590 2.590 . 0 0 "[ ]" 2
111 2 17 PHE H 2 18 LYS H 3.000 . 3.300 2.500 2.500 2.500 . 0 0 "[ ]" 2
112 2 17 PHE QB 2 18 LYS H 4.000 . 6.000 3.174 3.174 3.174 . 0 0 "[ ]" 2
113 2 18 LYS H 2 19 LYS H 2.500 . 2.700 2.282 2.282 2.282 . 0 0 "[ ]" 2
114 2 18 LYS HA 2 19 LYS H 4.000 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 2
115 2 19 LYS H 2 20 ILE H 3.000 . 3.300 2.347 2.347 2.347 . 0 0 "[ ]" 2
116 2 19 LYS HA 2 20 ILE H 3.000 . 3.300 3.440 3.440 3.440 0.140 1 0 "[ ]" 2
117 2 20 ILE H 2 21 SER H 2.500 . 2.700 2.754 2.754 2.754 0.054 1 0 "[ ]" 2
118 2 20 ILE HB 2 21 SER H 4.000 . 5.000 3.109 3.109 3.109 . 0 0 "[ ]" 2
119 2 20 ILE QG 2 21 SER H 3.000 . 4.300 2.846 2.846 2.846 . 0 0 "[ ]" 2
120 2 20 ILE HB 2 21 SER HA 4.000 . 5.000 4.942 4.942 4.942 . 0 0 "[ ]" 2
121 2 4 TRP HA 2 7 ASN QB 4.000 . 6.000 2.713 2.713 2.713 . 0 0 "[ ]" 2
122 2 5 LYS HA 2 8 PHE QB 2.500 . 3.700 2.322 2.322 2.322 . 0 0 "[ ]" 2
123 2 6 LYS HA 2 9 ILE MG 4.000 . 6.500 3.316 3.316 3.316 . 0 0 "[ ]" 2
124 2 6 LYS HA 2 9 ILE MD 2.500 . 4.200 3.164 3.164 3.164 . 0 0 "[ ]" 2
125 2 7 ASN HA 2 10 ALA MB 3.000 . 4.800 2.863 2.863 2.863 . 0 0 "[ ]" 2
126 2 5 LYS HA 2 8 PHE H 4.000 . 5.000 3.259 3.259 3.259 . 0 0 "[ ]" 2
127 2 8 PHE HA 2 11 VAL HB 3.000 . 3.300 2.912 2.912 2.912 . 0 0 "[ ]" 2
128 2 8 PHE HA 2 11 VAL QG 3.000 . 5.700 3.170 3.170 3.170 . 0 0 "[ ]" 2
129 2 5 LYS HA 2 8 PHE QD 3.000 . 5.300 3.003 3.003 3.003 . 0 0 "[ ]" 2
130 2 8 PHE QD 2 10 ALA MB 4.000 . 8.500 5.948 5.948 5.948 . 0 0 "[ ]" 2
131 2 5 LYS HA 2 9 ILE H 4.000 . 5.000 3.056 3.056 3.056 . 0 0 "[ ]" 2
132 2 6 LYS HA 2 9 ILE H 4.000 . 5.000 3.937 3.937 3.937 . 0 0 "[ ]" 2
133 2 9 ILE HA 2 12 SER QB 2.500 . 3.700 2.181 2.181 2.181 . 0 0 "[ ]" 2
134 2 10 ALA HA 2 13 ALA MB 3.000 . 4.800 2.993 2.993 2.993 . 0 0 "[ ]" 2
135 2 11 VAL HA 2 14 ALA MB 2.500 . 4.200 3.046 3.046 3.046 . 0 0 "[ ]" 2
136 2 11 VAL QG 2 14 ALA MB 3.000 . 7.200 3.453 3.453 3.453 . 0 0 "[ ]" 2
137 2 9 ILE HA 2 12 SER H 4.000 . 5.000 3.284 3.284 3.284 . 0 0 "[ ]" 2
138 2 12 SER HA 2 15 ASN QB 2.500 . 3.700 2.321 2.321 2.321 . 0 0 "[ ]" 2
139 2 10 ALA HA 2 13 ALA H 4.000 . 5.000 3.409 3.409 3.409 . 0 0 "[ ]" 2
140 2 13 ALA HA 2 16 ARG QB 3.000 . 4.300 2.986 2.986 2.986 . 0 0 "[ ]" 2
141 2 11 VAL HA 2 14 ALA H 3.000 . 3.300 3.476 3.476 3.476 0.176 1 0 "[ ]" 2
142 2 14 ALA HA 2 17 PHE QB 4.000 . 6.000 2.503 2.503 2.503 . 0 0 "[ ]" 2
143 2 12 SER HA 2 15 ASN H 4.000 . 5.000 3.660 3.660 3.660 . 0 0 "[ ]" 2
144 2 15 ASN HA 2 18 LYS QB 3.000 . 4.300 2.890 2.890 2.890 . 0 0 "[ ]" 2
145 2 17 PHE HA 2 20 ILE HB 3.000 . 3.300 2.424 2.424 2.424 . 0 0 "[ ]" 2
146 2 17 PHE HA 2 20 ILE MG 4.000 . 6.500 3.738 3.738 3.738 . 0 0 "[ ]" 2
147 2 17 PHE HA 2 20 ILE MD 2.500 . 4.200 2.218 2.218 2.218 . 0 0 "[ ]" 2
148 2 14 ALA HA 2 17 PHE QD 2.500 . 4.700 3.084 3.084 3.084 . 0 0 "[ ]" 2
149 2 14 ALA HA 2 17 PHE QE 4.000 . 7.000 5.263 5.263 5.263 . 0 0 "[ ]" 2
150 2 14 ALA MB 2 17 PHE QD 3.000 . 6.800 4.535 4.535 4.535 . 0 0 "[ ]" 2
151 2 14 ALA MB 2 17 PHE QE 4.000 . 8.500 6.149 6.149 6.149 . 0 0 "[ ]" 2
152 2 13 ALA HA 2 17 PHE QD 4.000 . 7.000 3.810 3.810 3.810 . 0 0 "[ ]" 2
153 2 13 ALA HA 2 17 PHE QE 4.000 . 7.000 4.264 4.264 4.264 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 131
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 11 GLU 0.000 0.000 . 0 "[ ]"
1 12 PHE 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.000 0.000 . 0 "[ ]"
1 19 PHE 0.000 0.000 . 0 "[ ]"
1 27 ILE 0.000 0.000 . 0 "[ ]"
1 32 LEU 0.000 0.000 . 0 "[ ]"
1 36 MET 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.000 0.000 . 0 "[ ]"
1 51 MET 0.000 0.000 . 0 "[ ]"
1 52 ILE 0.000 0.000 . 0 "[ ]"
1 55 VAL 0.000 0.000 . 0 "[ ]"
1 63 ILE 0.000 0.000 . 0 "[ ]"
1 71 MET 0.000 0.000 . 0 "[ ]"
1 72 MET 0.000 0.000 . 0 "[ ]"
1 85 ILE 0.000 0.000 . 0 "[ ]"
1 88 ALA 0.000 0.000 . 0 "[ ]"
1 91 VAL 0.000 0.000 . 0 "[ ]"
1 92 PHE 0.000 0.000 . 0 "[ ]"
1 100 ILE 0.000 0.000 . 0 "[ ]"
1 105 LEU 0.000 0.000 . 0 "[ ]"
1 108 VAL 0.000 0.000 . 0 "[ ]"
1 109 MET 0.000 0.000 . 0 "[ ]"
1 112 LEU 0.000 0.000 . 0 "[ ]"
1 121 VAL 0.000 0.000 . 0 "[ ]"
1 124 MET 0.000 0.000 . 0 "[ ]"
1 125 ILE 0.000 0.000 . 0 "[ ]"
1 136 VAL 0.000 0.000 . 0 "[ ]"
1 144 MET 0.000 0.000 . 0 "[ ]"
1 145 MET 0.000 0.000 . 0 "[ ]"
2 2 ARG 0.000 0.000 . 0 "[ ]"
2 4 TRP 0.000 0.000 . 0 "[ ]"
2 5 LYS 0.000 0.000 . 0 "[ ]"
2 6 LYS 0.000 0.000 . 0 "[ ]"
2 7 ASN 0.000 0.000 . 0 "[ ]"
2 8 PHE 0.000 0.000 . 0 "[ ]"
2 9 ILE 0.000 0.000 . 0 "[ ]"
2 10 ALA 0.000 0.000 . 0 "[ ]"
2 11 VAL 0.000 0.000 . 0 "[ ]"
2 12 SER 0.000 0.000 . 0 "[ ]"
2 13 ALA 0.000 0.000 . 0 "[ ]"
2 14 ALA 0.000 0.000 . 0 "[ ]"
2 15 ASN 0.000 0.000 . 0 "[ ]"
2 17 PHE 0.000 0.000 . 0 "[ ]"
2 18 LYS 0.000 0.000 . 0 "[ ]"
2 20 ILE 0.000 0.000 . 0 "[ ]"
2 21 SER 0.000 0.000 . 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 85 ILE QG 2 15 ASN QD 4.000 . 7.000 5.012 5.012 5.012 . 0 0 "[ ]" 3
2 1 85 ILE MD 2 15 ASN QD 4.000 . 7.500 5.363 5.363 5.363 . 0 0 "[ ]" 3
3 1 109 MET ME 2 4 TRP HA 4.000 . 6.500 3.723 3.723 3.723 . 0 0 "[ ]" 3
4 1 109 MET ME 2 7 ASN HA 4.000 . 6.500 4.938 4.938 4.938 . 0 0 "[ ]" 3
5 1 109 MET ME 2 7 ASN QB 4.000 . 7.500 3.116 3.116 3.116 . 0 0 "[ ]" 3
6 1 109 MET ME 2 4 TRP HD1 4.000 . 6.500 5.393 5.393 5.393 . 0 0 "[ ]" 3
7 1 124 MET ME 2 4 TRP HD1 4.000 . 6.500 3.612 3.612 3.612 . 0 0 "[ ]" 3
8 1 124 MET ME 2 4 TRP HZ2 4.000 . 6.500 3.680 3.680 3.680 . 0 0 "[ ]" 3
9 1 124 MET ME 2 4 TRP HH2 4.000 . 6.500 4.907 4.907 4.907 . 0 0 "[ ]" 3
10 1 124 MET ME 2 4 TRP HA 3.000 . 4.800 3.818 3.818 3.818 . 0 0 "[ ]" 3
11 1 124 MET ME 2 2 ARG HA 4.000 . 6.500 2.270 2.270 2.270 . 0 0 "[ ]" 3
12 1 145 MET ME 2 4 TRP HD1 4.000 . 6.500 4.163 4.163 4.163 . 0 0 "[ ]" 3
13 1 145 MET ME 2 4 TRP HZ3 4.000 . 6.500 4.813 4.813 4.813 . 0 0 "[ ]" 3
14 1 145 MET ME 2 4 TRP HE3 3.000 . 4.800 3.302 3.302 3.302 . 0 0 "[ ]" 3
15 1 145 MET ME 2 4 TRP HA 4.000 . 6.500 4.613 4.613 4.613 . 0 0 "[ ]" 3
16 1 145 MET ME 2 5 LYS HA 4.000 . 6.500 4.848 4.848 4.848 . 0 0 "[ ]" 3
17 1 145 MET ME 2 4 TRP QB 3.000 . 5.800 2.113 2.113 2.113 . 0 0 "[ ]" 3
18 1 145 MET ME 2 8 PHE QB 4.000 . 7.500 3.625 3.625 3.625 . 0 0 "[ ]" 3
19 1 145 MET ME 2 8 PHE QD 4.000 . 7.500 4.746 4.746 4.746 . 0 0 "[ ]" 3
20 1 144 MET ME 2 4 TRP HD1 4.000 . 6.500 2.655 2.655 2.655 . 0 0 "[ ]" 3
21 1 144 MET ME 2 4 TRP HE3 4.000 . 6.500 4.870 4.870 4.870 . 0 0 "[ ]" 3
22 1 144 MET ME 2 4 TRP HZ2 4.000 . 6.500 4.721 4.721 4.721 . 0 0 "[ ]" 3
23 1 144 MET ME 2 4 TRP HA 4.000 . 6.500 5.260 5.260 5.260 . 0 0 "[ ]" 3
24 1 36 MET ME 2 17 PHE QD 3.000 . 6.800 4.530 4.530 4.530 . 0 0 "[ ]" 3
25 1 36 MET ME 2 17 PHE HA 4.000 . 6.500 4.678 4.678 4.678 . 0 0 "[ ]" 3
26 1 36 MET ME 2 17 PHE QB 3.000 . 5.800 2.764 2.764 2.764 . 0 0 "[ ]" 3
27 1 36 MET ME 2 18 LYS HA 3.000 . 4.800 3.046 3.046 3.046 . 0 0 "[ ]" 3
28 1 36 MET ME 2 18 LYS QB 3.000 . 5.800 2.214 2.214 2.214 . 0 0 "[ ]" 3
29 1 36 MET ME 2 14 ALA HA 3.000 . 4.800 3.298 3.298 3.298 . 0 0 "[ ]" 3
30 1 36 MET ME 2 14 ALA MB 3.000 . 6.300 2.801 2.801 2.801 . 0 0 "[ ]" 3
31 1 51 MET ME 2 17 PHE QD 4.000 . 8.500 4.067 4.067 4.067 . 0 0 "[ ]" 3
32 1 51 MET ME 2 17 PHE QB 4.000 . 7.500 3.559 3.559 3.559 . 0 0 "[ ]" 3
33 1 51 MET ME 2 18 LYS HA 2.500 . 4.200 2.900 2.900 2.900 . 0 0 "[ ]" 3
34 1 51 MET ME 2 21 SER QB 3.000 . 5.800 3.511 3.511 3.511 . 0 0 "[ ]" 3
35 1 71 MET ME 2 20 ILE HA 4.000 . 6.500 4.804 4.804 4.804 . 0 0 "[ ]" 3
36 1 71 MET ME 2 20 ILE MD 3.000 . 6.300 2.090 2.090 2.090 . 0 0 "[ ]" 3
37 1 72 MET ME 2 13 ALA HA 4.000 . 6.500 4.199 4.199 4.199 . 0 0 "[ ]" 3
38 1 72 MET ME 2 12 SER QB 4.000 . 7.500 3.015 3.015 3.015 . 0 0 "[ ]" 3
39 1 72 MET ME 2 13 ALA MB 4.000 . 8.000 3.972 3.972 3.972 . 0 0 "[ ]" 3
40 1 72 MET ME 2 9 ILE MG 3.000 . 6.300 2.700 2.700 2.700 . 0 0 "[ ]" 3
41 1 72 MET ME 2 9 ILE MD 4.000 . 8.000 3.557 3.557 3.557 . 0 0 "[ ]" 3
42 1 100 ILE MD 2 4 TRP HH2 4.000 . 6.500 2.399 2.399 2.399 . 0 0 "[ ]" 3
43 1 100 ILE MD 2 4 TRP HZ2 3.000 . 4.800 3.952 3.952 3.952 . 0 0 "[ ]" 3
44 1 105 LEU QD 2 4 TRP HZ3 3.000 . 5.700 2.072 2.072 2.072 . 0 0 "[ ]" 3
45 1 105 LEU QD 2 4 TRP HH2 3.000 . 5.700 2.154 2.154 2.154 . 0 0 "[ ]" 3
46 1 105 LEU QD 2 4 TRP HZ2 3.000 . 5.700 3.305 3.305 3.305 . 0 0 "[ ]" 3
47 1 105 LEU QD 2 4 TRP HE3 4.000 . 7.400 3.512 3.512 3.512 . 0 0 "[ ]" 3
48 1 100 ILE MD 2 4 TRP HZ3 4.000 . 6.500 2.206 2.206 2.206 . 0 0 "[ ]" 3
49 1 100 ILE MG 2 4 TRP HH2 3.000 . 4.800 2.314 2.314 2.314 . 0 0 "[ ]" 3
50 1 100 ILE MG 2 4 TRP HZ3 4.000 . 6.500 3.210 3.210 3.210 . 0 0 "[ ]" 3
51 1 100 ILE MG 2 4 TRP HZ2 4.000 . 6.500 4.346 4.346 4.346 . 0 0 "[ ]" 3
52 1 125 ILE MG 2 4 TRP HZ2 3.000 . 4.800 3.826 3.826 3.826 . 0 0 "[ ]" 3
53 1 105 LEU QD 2 4 TRP QB 4.000 . 8.400 4.824 4.824 4.824 . 0 0 "[ ]" 3
54 1 136 VAL QG 2 4 TRP HE3 4.000 . 7.400 5.206 5.206 5.206 . 0 0 "[ ]" 3
55 1 136 VAL QG 2 4 TRP HZ2 4.000 . 7.400 3.470 3.470 3.470 . 0 0 "[ ]" 3
56 1 136 VAL QG 2 4 TRP HH2 4.000 . 7.400 3.648 3.648 3.648 . 0 0 "[ ]" 3
57 1 136 VAL QG 2 4 TRP HZ3 4.000 . 7.400 4.611 4.611 4.611 . 0 0 "[ ]" 3
58 1 125 ILE HA 2 4 TRP HZ2 3.000 . 3.300 2.853 2.853 2.853 . 0 0 "[ ]" 3
59 1 125 ILE HA 2 4 TRP HH2 4.000 . 5.000 4.643 4.643 4.643 . 0 0 "[ ]" 3
60 1 125 ILE MD 2 4 TRP HZ2 3.000 . 4.800 3.839 3.839 3.839 . 0 0 "[ ]" 3
61 1 125 ILE MD 2 4 TRP HH2 3.000 . 4.800 3.454 3.454 3.454 . 0 0 "[ ]" 3
62 1 125 ILE MD 2 4 TRP HZ3 4.000 . 6.500 5.408 5.408 5.408 . 0 0 "[ ]" 3
63 1 121 VAL QG 2 4 TRP HZ2 3.000 . 5.700 3.949 3.949 3.949 . 0 0 "[ ]" 3
64 1 121 VAL QG 2 4 TRP HH2 3.000 . 5.700 4.023 4.023 4.023 . 0 0 "[ ]" 3
65 1 121 VAL QG 2 4 TRP HZ3 4.000 . 7.400 5.407 5.407 5.407 . 0 0 "[ ]" 3
66 1 15 ALA MB 2 6 LYS HA 3.000 . 4.800 3.343 3.343 3.343 . 0 0 "[ ]" 3
67 1 112 LEU QD 2 7 ASN HA 3.000 . 5.700 3.288 3.288 3.288 . 0 0 "[ ]" 3
68 1 85 ILE MG 2 8 PHE QD 4.000 . 8.500 4.135 4.135 4.135 . 0 0 "[ ]" 3
69 1 85 ILE MG 2 8 PHE QE 2.500 . 6.200 2.836 2.836 2.836 . 0 0 "[ ]" 3
70 1 85 ILE MG 2 8 PHE HZ 3.000 . 4.800 3.443 3.443 3.443 . 0 0 "[ ]" 3
71 1 85 ILE HA 2 8 PHE QD 4.000 . 7.000 4.536 4.536 4.536 . 0 0 "[ ]" 3
72 1 85 ILE HA 2 8 PHE QE 2.500 . 4.700 2.292 2.292 2.292 . 0 0 "[ ]" 3
73 1 85 ILE HA 2 8 PHE HZ 3.000 . 3.300 3.193 3.193 3.193 . 0 0 "[ ]" 3
74 1 88 ALA MB 2 8 PHE QD 2.500 . 6.200 2.452 2.452 2.452 . 0 0 "[ ]" 3
75 1 88 ALA MB 2 8 PHE QE 2.500 . 6.200 2.118 2.118 2.118 . 0 0 "[ ]" 3
76 1 88 ALA MB 2 8 PHE HZ 4.000 . 6.500 3.959 3.959 3.959 . 0 0 "[ ]" 3
77 1 85 ILE QG 2 8 PHE QE 3.000 . 6.300 3.168 3.168 3.168 . 0 0 "[ ]" 3
78 1 85 ILE QG 2 8 PHE HZ 3.000 . 4.300 2.302 2.302 2.302 . 0 0 "[ ]" 3
79 1 92 PHE QE 2 8 PHE HA 4.000 . 7.000 3.119 3.119 3.119 . 0 0 "[ ]" 3
80 1 12 PHE HA 2 9 ILE MG 3.000 . 4.800 3.419 3.419 3.419 . 0 0 "[ ]" 3
81 1 12 PHE HA 2 9 ILE MD 3.000 . 4.800 3.855 3.855 3.855 . 0 0 "[ ]" 3
82 1 12 PHE QD 2 9 ILE MG 4.000 . 8.500 3.072 3.072 3.072 . 0 0 "[ ]" 3
83 1 12 PHE QE 2 9 ILE MG 4.000 . 8.500 3.924 3.924 3.924 . 0 0 "[ ]" 3
84 1 11 GLU QB 2 9 ILE MD 3.000 . 5.800 3.243 3.243 3.243 . 0 0 "[ ]" 3
85 1 15 ALA MB 2 9 ILE MG 2.500 . 5.700 2.145 2.145 2.145 . 0 0 "[ ]" 3
86 1 15 ALA MB 2 9 ILE MD 3.000 . 6.300 3.719 3.719 3.719 . 0 0 "[ ]" 3
87 1 15 ALA MB 2 9 ILE HA 4.000 . 6.500 5.325 5.325 5.325 . 0 0 "[ ]" 3
88 1 15 ALA MB 2 10 ALA MB 2.500 . 5.700 2.987 2.987 2.987 . 0 0 "[ ]" 3
89 1 15 ALA MB 2 10 ALA HA 3.000 . 4.800 3.174 3.174 3.174 . 0 0 "[ ]" 3
90 1 15 ALA HA 2 10 ALA MB 3.000 . 4.800 3.349 3.349 3.349 . 0 0 "[ ]" 3
91 1 19 PHE QE 2 10 ALA MB 4.000 . 8.500 3.318 3.318 3.318 . 0 0 "[ ]" 3
92 1 112 LEU QD 2 10 ALA MB 3.000 . 7.200 3.276 3.276 3.276 . 0 0 "[ ]" 3
93 1 108 VAL QG 2 11 VAL QG 3.000 . 8.100 3.818 3.818 3.818 . 0 0 "[ ]" 3
94 1 39 LEU QD 2 11 VAL HA 3.000 . 5.700 3.877 3.877 3.877 . 0 0 "[ ]" 3
95 1 92 PHE QE 2 11 VAL HA 4.000 . 7.000 5.313 5.313 5.313 . 0 0 "[ ]" 3
96 1 92 PHE QE 2 11 VAL QG 3.000 . 7.700 2.255 2.255 2.255 . 0 0 "[ ]" 3
97 1 92 PHE HZ 2 11 VAL QG 4.000 . 7.400 2.929 2.929 2.929 . 0 0 "[ ]" 3
98 1 88 ALA MB 2 11 VAL QG 2.500 . 6.600 2.823 2.823 2.823 . 0 0 "[ ]" 3
99 1 88 ALA HA 2 11 VAL QG 2.500 . 5.100 2.707 2.707 2.707 . 0 0 "[ ]" 3
100 1 91 VAL QG 2 11 VAL HA 4.000 . 7.400 4.857 4.857 4.857 . 0 0 "[ ]" 3
101 1 91 VAL QG 2 11 VAL HB 4.000 . 7.400 4.566 4.566 4.566 . 0 0 "[ ]" 3
102 1 91 VAL QG 2 11 VAL QG 2.500 . 7.500 2.387 2.387 2.387 . 0 0 "[ ]" 3
103 1 91 VAL HB 2 11 VAL QG 3.000 . 5.700 2.922 2.922 2.922 . 0 0 "[ ]" 3
104 1 88 ALA MB 2 12 SER HA 3.000 . 4.800 3.586 3.586 3.586 . 0 0 "[ ]" 3
105 1 27 ILE MG 2 13 ALA MB 2.500 . 5.700 3.509 3.509 3.509 . 0 0 "[ ]" 3
106 1 27 ILE MG 2 13 ALA HA 4.000 . 6.500 5.347 5.347 5.347 . 0 0 "[ ]" 3
107 1 27 ILE MD 2 14 ALA MB 2.500 . 5.700 3.884 3.884 3.884 . 0 0 "[ ]" 3
108 1 32 LEU QD 2 14 ALA HA 4.000 . 7.400 2.461 2.461 2.461 . 0 0 "[ ]" 3
109 1 32 LEU QD 2 14 ALA MB 4.000 . 8.900 2.818 2.818 2.818 . 0 0 "[ ]" 3
110 1 39 LEU QD 2 14 ALA MB 2.500 . 6.600 3.227 3.227 3.227 . 0 0 "[ ]" 3
111 1 19 PHE QE 2 14 ALA HA 3.000 . 5.300 4.341 4.341 4.341 . 0 0 "[ ]" 3
112 1 19 PHE QE 2 14 ALA MB 3.000 . 6.800 2.298 2.298 2.298 . 0 0 "[ ]" 3
113 1 19 PHE HZ 2 14 ALA HA 4.000 . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 3
114 1 19 PHE HZ 2 14 ALA MB 3.000 . 4.800 2.071 2.071 2.071 . 0 0 "[ ]" 3
115 1 32 LEU QD 2 17 PHE QD 3.000 . 7.700 3.070 3.070 3.070 . 0 0 "[ ]" 3
116 1 32 LEU QD 2 17 PHE QE 3.000 . 7.700 4.216 4.216 4.216 . 0 0 "[ ]" 3
117 1 27 ILE QG 2 17 PHE QE 2.500 . 5.700 2.884 2.884 2.884 . 0 0 "[ ]" 3
118 1 27 ILE QG 2 17 PHE QD 3.000 . 6.300 2.979 2.979 2.979 . 0 0 "[ ]" 3
119 1 27 ILE MG 2 17 PHE QD 4.000 . 6.800 3.026 3.026 3.026 . 0 0 "[ ]" 3
120 1 63 ILE MG 2 17 PHE QE 2.500 . 6.200 4.139 4.139 4.139 . 0 0 "[ ]" 3
121 1 27 ILE MG 2 17 PHE QE 2.500 . 6.200 3.022 3.022 3.022 . 0 0 "[ ]" 3
122 1 32 LEU QD 2 17 PHE HA 4.000 . 7.400 4.268 4.268 4.268 . 0 0 "[ ]" 3
123 1 27 ILE MG 2 17 PHE HA 4.000 . 6.500 5.659 5.659 5.659 . 0 0 "[ ]" 3
124 1 63 ILE MD 2 17 PHE QE 2.500 . 6.200 2.545 2.545 2.545 . 0 0 "[ ]" 3
125 1 63 ILE QG 2 17 PHE QE 3.000 . 6.300 4.256 4.256 4.256 . 0 0 "[ ]" 3
126 1 55 VAL QG 2 17 PHE QD 2.500 . 7.100 3.956 3.956 3.956 . 0 0 "[ ]" 3
127 1 55 VAL QG 2 17 PHE QE 2.500 . 7.100 2.210 2.210 2.210 . 0 0 "[ ]" 3
128 1 55 VAL QG 2 17 PHE HZ 4.000 . 7.400 2.577 2.577 2.577 . 0 0 "[ ]" 3
129 1 52 ILE MG 2 17 PHE QE 4.000 . 8.500 4.908 4.908 4.908 . 0 0 "[ ]" 3
130 1 52 ILE MD 2 17 PHE QE 3.000 . 6.800 4.592 4.592 4.592 . 0 0 "[ ]" 3
131 1 55 VAL QG 2 20 ILE MD 3.000 . 7.200 2.186 2.186 2.186 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 118
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 4.930
_Distance_constraint_stats_list.Viol_max 1.122
_Distance_constraint_stats_list.Viol_rms 0.1734
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0418
_Distance_constraint_stats_list.Viol_average_violations_only 0.2739
_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 7 GLU 0.000 0.000 . 0 "[ ]"
1 8 GLN 0.000 0.000 . 0 "[ ]"
1 9 ILE 0.000 0.000 . 0 "[ ]"
1 10 ALA 0.000 0.000 . 0 "[ ]"
1 11 GLU 0.000 0.000 . 0 "[ ]"
1 12 PHE 0.000 0.000 . 0 "[ ]"
1 13 LYS 0.000 0.000 . 0 "[ ]"
1 14 GLU 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.000 0.000 . 0 "[ ]"
1 16 PHE 0.000 0.000 . 0 "[ ]"
1 17 SER 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 19 PHE 0.000 0.000 . 0 "[ ]"
1 20 ASP 0.000 0.000 . 0 "[ ]"
1 25 GLY 0.000 0.000 . 0 "[ ]"
1 27 ILE 0.399 0.216 1 0 "[ ]"
1 29 THR 0.000 0.000 . 0 "[ ]"
1 30 LYS 0.000 0.000 . 0 "[ ]"
1 31 GLU 0.040 0.040 1 0 "[ ]"
1 32 LEU 0.000 0.000 . 0 "[ ]"
1 33 GLY 0.000 0.000 . 0 "[ ]"
1 34 THR 0.000 0.000 . 0 "[ ]"
1 35 VAL 0.040 0.040 1 0 "[ ]"
1 36 MET 0.000 0.000 . 0 "[ ]"
1 37 ARG 0.000 0.000 . 0 "[ ]"
1 38 SER 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 ALA 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
1 49 GLN 0.000 0.000 . 0 "[ ]"
1 50 ASP 0.000 0.000 . 0 "[ ]"
1 51 MET 0.000 0.000 . 0 "[ ]"
1 52 ILE 0.000 0.000 . 0 "[ ]"
1 53 ASN 0.000 0.000 . 0 "[ ]"
1 54 GLU 0.000 0.000 . 0 "[ ]"
1 56 ASP 1.905 1.122 1 1 [+]
1 61 GLY 1.905 1.122 1 1 [+]
1 63 ILE 0.399 0.216 1 0 "[ ]"
1 65 PHE 0.000 0.000 . 0 "[ ]"
1 66 PRO 0.000 0.000 . 0 "[ ]"
1 67 GLU 0.000 0.000 . 0 "[ ]"
1 68 PHE 0.005 0.005 1 0 "[ ]"
1 69 LEU 0.000 0.000 . 0 "[ ]"
1 70 THR 0.000 0.000 . 0 "[ ]"
1 71 MET 0.000 0.000 . 0 "[ ]"
1 72 MET 0.005 0.005 1 0 "[ ]"
1 73 ALA 0.000 0.000 . 0 "[ ]"
1 74 ARG 0.000 0.000 . 0 "[ ]"
1 82 GLU 0.000 0.000 . 0 "[ ]"
1 83 GLU 0.000 0.000 . 0 "[ ]"
1 84 GLU 0.000 0.000 . 0 "[ ]"
1 85 ILE 0.000 0.000 . 0 "[ ]"
1 86 ARG 0.000 0.000 . 0 "[ ]"
1 87 GLU 0.000 0.000 . 0 "[ ]"
1 88 ALA 0.017 0.017 1 0 "[ ]"
1 89 PHE 0.000 0.000 . 0 "[ ]"
1 90 ARG 0.000 0.000 . 0 "[ ]"
1 91 VAL 0.000 0.000 . 0 "[ ]"
1 92 PHE 0.017 0.017 1 0 "[ ]"
1 93 ASP 0.488 0.272 1 0 "[ ]"
1 98 GLY 0.488 0.272 1 0 "[ ]"
1 100 ILE 0.141 0.104 1 0 "[ ]"
1 102 ALA 0.009 0.009 1 0 "[ ]"
1 103 ALA 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.065 0.065 1 0 "[ ]"
1 105 LEU 0.000 0.000 . 0 "[ ]"
1 106 ARG 0.009 0.009 1 0 "[ ]"
1 107 HIS 0.027 0.027 1 0 "[ ]"
1 108 VAL 0.065 0.065 1 0 "[ ]"
1 109 MET 0.000 0.000 . 0 "[ ]"
1 110 THR 0.000 0.000 . 0 "[ ]"
1 111 ASN 0.027 0.027 1 0 "[ ]"
1 118 ASP 0.000 0.000 . 0 "[ ]"
1 119 GLU 0.000 0.000 . 0 "[ ]"
1 120 GLU 0.000 0.000 . 0 "[ ]"
1 121 VAL 0.000 0.000 . 0 "[ ]"
1 122 ASP 0.000 0.000 . 0 "[ ]"
1 123 GLU 0.000 0.000 . 0 "[ ]"
1 124 MET 0.000 0.000 . 0 "[ ]"
1 125 ILE 0.000 0.000 . 0 "[ ]"
1 126 ARG 0.000 0.000 . 0 "[ ]"
1 127 GLU 0.000 0.000 . 0 "[ ]"
1 129 ASP 1.794 0.962 1 1 [+]
1 134 GLY 1.794 0.962 1 1 [+]
1 136 VAL 0.141 0.104 1 0 "[ ]"
1 138 TYR 0.000 0.000 . 0 "[ ]"
1 139 GLU 0.000 0.000 . 0 "[ ]"
1 140 GLU 0.023 0.023 1 0 "[ ]"
1 141 PHE 0.019 0.019 1 0 "[ ]"
1 142 VAL 0.000 0.000 . 0 "[ ]"
1 143 THR 0.000 0.000 . 0 "[ ]"
1 144 MET 0.023 0.023 1 0 "[ ]"
1 145 MET 0.019 0.019 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 7 GLU O 1 11 GLU N 2.800 2.400 3.300 3.059 3.059 3.059 . 0 0 "[ ]" 4
2 1 7 GLU O 1 11 GLU H 1.800 . 2.300 2.236 2.236 2.236 . 0 0 "[ ]" 4
3 1 8 GLN O 1 12 PHE N 2.800 2.400 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 4
4 1 8 GLN O 1 12 PHE H 1.800 . 2.300 2.156 2.156 2.156 . 0 0 "[ ]" 4
5 1 9 ILE O 1 13 LYS N 2.800 2.400 3.300 3.086 3.086 3.086 . 0 0 "[ ]" 4
6 1 9 ILE O 1 13 LYS H 1.800 . 2.300 2.126 2.126 2.126 . 0 0 "[ ]" 4
7 1 10 ALA O 1 14 GLU N 2.800 2.400 3.300 3.055 3.055 3.055 . 0 0 "[ ]" 4
8 1 10 ALA O 1 14 GLU H 1.800 . 2.300 2.090 2.090 2.090 . 0 0 "[ ]" 4
9 1 11 GLU O 1 15 ALA N 2.800 2.400 3.300 3.146 3.146 3.146 . 0 0 "[ ]" 4
10 1 11 GLU O 1 15 ALA H 1.800 . 2.300 2.236 2.236 2.236 . 0 0 "[ ]" 4
11 1 12 PHE O 1 16 PHE N 2.800 2.400 3.300 2.961 2.961 2.961 . 0 0 "[ ]" 4
12 1 12 PHE O 1 16 PHE H 1.800 . 2.300 2.073 2.073 2.073 . 0 0 "[ ]" 4
13 1 13 LYS O 1 17 SER N 2.800 2.400 3.300 2.839 2.839 2.839 . 0 0 "[ ]" 4
14 1 13 LYS O 1 17 SER H 1.800 . 2.300 1.926 1.926 1.926 . 0 0 "[ ]" 4
15 1 14 GLU O 1 18 LEU N 2.800 2.400 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 4
16 1 14 GLU O 1 18 LEU H 1.800 . 2.300 2.130 2.130 2.130 . 0 0 "[ ]" 4
17 1 15 ALA O 1 19 PHE N 2.800 2.400 3.300 2.731 2.731 2.731 . 0 0 "[ ]" 4
18 1 15 ALA O 1 19 PHE H 1.800 . 2.300 1.788 1.788 1.788 . 0 0 "[ ]" 4
19 1 29 THR O 1 33 GLY N 2.800 2.400 3.300 2.747 2.747 2.747 . 0 0 "[ ]" 4
20 1 29 THR O 1 33 GLY H 1.800 . 2.300 1.878 1.878 1.878 . 0 0 "[ ]" 4
21 1 30 LYS O 1 34 THR N 2.800 2.400 3.300 2.952 2.952 2.952 . 0 0 "[ ]" 4
22 1 30 LYS O 1 34 THR H 1.800 . 2.300 2.016 2.016 2.016 . 0 0 "[ ]" 4
23 1 31 GLU O 1 35 VAL N 2.800 2.400 3.300 3.260 3.260 3.260 . 0 0 "[ ]" 4
24 1 31 GLU O 1 35 VAL H 1.800 . 2.300 2.340 2.340 2.340 0.040 1 0 "[ ]" 4
25 1 32 LEU O 1 36 MET N 2.800 2.400 3.300 2.619 2.619 2.619 . 0 0 "[ ]" 4
26 1 32 LEU O 1 36 MET H 1.800 . 2.300 1.872 1.872 1.872 . 0 0 "[ ]" 4
27 1 33 GLY O 1 37 ARG N 2.800 2.400 3.300 2.650 2.650 2.650 . 0 0 "[ ]" 4
28 1 33 GLY O 1 37 ARG H 1.800 . 2.300 1.770 1.770 1.770 . 0 0 "[ ]" 4
29 1 34 THR O 1 38 SER N 2.800 2.400 3.300 3.005 3.005 3.005 . 0 0 "[ ]" 4
30 1 34 THR O 1 38 SER H 1.800 . 2.300 2.103 2.103 2.103 . 0 0 "[ ]" 4
31 1 45 GLU O 1 49 GLN N 2.800 2.400 3.300 2.923 2.923 2.923 . 0 0 "[ ]" 4
32 1 45 GLU O 1 49 GLN H 1.800 . 2.300 1.953 1.953 1.953 . 0 0 "[ ]" 4
33 1 46 ALA O 1 50 ASP N 2.800 2.400 3.300 2.896 2.896 2.896 . 0 0 "[ ]" 4
34 1 46 ALA O 1 50 ASP H 1.800 . 2.300 1.981 1.981 1.981 . 0 0 "[ ]" 4
35 1 47 GLU O 1 51 MET N 2.800 2.400 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 4
36 1 47 GLU O 1 51 MET H 1.800 . 2.300 2.005 2.005 2.005 . 0 0 "[ ]" 4
37 1 48 LEU O 1 52 ILE N 2.800 2.400 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 4
38 1 48 LEU O 1 52 ILE H 1.800 . 2.300 2.222 2.222 2.222 . 0 0 "[ ]" 4
39 1 49 GLN O 1 53 ASN N 2.800 2.400 3.300 3.058 3.058 3.058 . 0 0 "[ ]" 4
40 1 49 GLN O 1 53 ASN H 1.800 . 2.300 2.213 2.213 2.213 . 0 0 "[ ]" 4
41 1 50 ASP O 1 54 GLU N 2.800 2.400 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 4
42 1 50 ASP O 1 54 GLU H 1.800 . 2.300 2.233 2.233 2.233 . 0 0 "[ ]" 4
43 1 65 PHE O 1 69 LEU N 2.800 2.400 3.300 2.902 2.902 2.902 . 0 0 "[ ]" 4
44 1 65 PHE O 1 69 LEU H 1.800 . 2.300 1.969 1.969 1.969 . 0 0 "[ ]" 4
45 1 66 PRO O 1 70 THR N 2.800 2.400 3.300 2.724 2.724 2.724 . 0 0 "[ ]" 4
46 1 66 PRO O 1 70 THR H 1.800 . 2.300 1.817 1.817 1.817 . 0 0 "[ ]" 4
47 1 67 GLU O 1 71 MET N 2.800 2.400 3.300 2.675 2.675 2.675 . 0 0 "[ ]" 4
48 1 67 GLU O 1 71 MET H 1.800 . 2.300 1.815 1.815 1.815 . 0 0 "[ ]" 4
49 1 68 PHE O 1 72 MET N 2.800 2.400 3.300 3.146 3.146 3.146 . 0 0 "[ ]" 4
50 1 68 PHE O 1 72 MET H 1.800 . 2.300 2.305 2.305 2.305 0.005 1 0 "[ ]" 4
51 1 69 LEU O 1 73 ALA N 2.800 2.400 3.300 2.616 2.616 2.616 . 0 0 "[ ]" 4
52 1 69 LEU O 1 73 ALA H 1.800 . 2.300 1.662 1.662 1.662 . 0 0 "[ ]" 4
53 1 70 THR O 1 74 ARG N 2.800 2.400 3.300 2.520 2.520 2.520 . 0 0 "[ ]" 4
54 1 70 THR O 1 74 ARG H 1.800 . 2.300 1.674 1.674 1.674 . 0 0 "[ ]" 4
55 1 82 GLU O 1 86 ARG N 2.800 2.500 3.300 2.698 2.698 2.698 . 0 0 "[ ]" 4
56 1 82 GLU O 1 86 ARG H 1.800 . 2.300 1.739 1.739 1.739 . 0 0 "[ ]" 4
57 1 83 GLU O 1 87 GLU N 2.800 2.400 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 4
58 1 83 GLU O 1 87 GLU H 1.800 . 2.300 1.976 1.976 1.976 . 0 0 "[ ]" 4
59 1 84 GLU O 1 88 ALA N 2.800 2.400 3.300 2.921 2.921 2.921 . 0 0 "[ ]" 4
60 1 84 GLU O 1 88 ALA H 1.800 . 2.300 1.945 1.945 1.945 . 0 0 "[ ]" 4
61 1 85 ILE O 1 89 PHE N 2.800 2.400 3.300 2.906 2.906 2.906 . 0 0 "[ ]" 4
62 1 85 ILE O 1 89 PHE H 1.800 . 2.300 1.974 1.974 1.974 . 0 0 "[ ]" 4
63 1 86 ARG O 1 90 ARG N 2.800 2.400 3.300 3.012 3.012 3.012 . 0 0 "[ ]" 4
64 1 86 ARG O 1 90 ARG H 1.800 . 2.300 2.073 2.073 2.073 . 0 0 "[ ]" 4
65 1 87 GLU O 1 91 VAL N 2.800 2.400 3.300 3.087 3.087 3.087 . 0 0 "[ ]" 4
66 1 87 GLU O 1 91 VAL H 1.800 . 2.300 2.139 2.139 2.139 . 0 0 "[ ]" 4
67 1 88 ALA O 1 92 PHE N 2.800 2.400 3.300 3.268 3.268 3.268 . 0 0 "[ ]" 4
68 1 88 ALA O 1 92 PHE H 1.800 . 2.300 2.317 2.317 2.317 0.017 1 0 "[ ]" 4
69 1 89 PHE O 1 93 ASP N 2.800 2.400 3.300 2.891 2.891 2.891 . 0 0 "[ ]" 4
70 1 89 PHE O 1 93 ASP H 1.800 . 2.300 1.980 1.980 1.980 . 0 0 "[ ]" 4
71 1 102 ALA O 1 106 ARG N 2.800 2.400 3.300 3.214 3.214 3.214 . 0 0 "[ ]" 4
72 1 102 ALA O 1 106 ARG H 1.800 . 2.300 2.309 2.309 2.309 0.009 1 0 "[ ]" 4
73 1 103 ALA O 1 107 HIS N 2.800 2.400 3.300 3.072 3.072 3.072 . 0 0 "[ ]" 4
74 1 103 ALA O 1 107 HIS H 1.800 . 2.300 2.231 2.231 2.231 . 0 0 "[ ]" 4
75 1 104 GLU O 1 108 VAL N 2.800 2.400 3.300 3.279 3.279 3.279 . 0 0 "[ ]" 4
76 1 104 GLU O 1 108 VAL H 1.800 . 2.300 2.365 2.365 2.365 0.065 1 0 "[ ]" 4
77 1 105 LEU O 1 109 MET N 2.800 2.400 3.300 2.721 2.721 2.721 . 0 0 "[ ]" 4
78 1 105 LEU O 1 109 MET H 1.800 . 2.300 1.761 1.761 1.761 . 0 0 "[ ]" 4
79 1 106 ARG O 1 110 THR N 2.800 2.400 3.300 2.933 2.933 2.933 . 0 0 "[ ]" 4
80 1 106 ARG O 1 110 THR H 1.800 . 2.300 2.090 2.090 2.090 . 0 0 "[ ]" 4
81 1 107 HIS O 1 111 ASN N 2.800 2.400 3.300 3.126 3.126 3.126 . 0 0 "[ ]" 4
82 1 107 HIS O 1 111 ASN H 1.800 . 2.300 2.327 2.327 2.327 0.027 1 0 "[ ]" 4
83 1 118 ASP O 1 122 ASP N 2.800 2.400 3.300 3.125 3.125 3.125 . 0 0 "[ ]" 4
84 1 118 ASP O 1 122 ASP H 1.800 . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 4
85 1 119 GLU O 1 123 GLU N 2.800 2.400 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 4
86 1 119 GLU O 1 123 GLU H 1.800 . 2.300 1.937 1.937 1.937 . 0 0 "[ ]" 4
87 1 120 GLU O 1 124 MET N 2.800 2.400 3.300 2.865 2.865 2.865 . 0 0 "[ ]" 4
88 1 120 GLU O 1 124 MET H 1.800 . 2.300 1.991 1.991 1.991 . 0 0 "[ ]" 4
89 1 121 VAL O 1 125 ILE N 2.800 2.400 3.300 2.741 2.741 2.741 . 0 0 "[ ]" 4
90 1 121 VAL O 1 125 ILE H 1.800 . 2.300 1.799 1.799 1.799 . 0 0 "[ ]" 4
91 1 122 ASP O 1 126 ARG N 2.800 2.400 3.300 2.944 2.944 2.944 . 0 0 "[ ]" 4
92 1 122 ASP O 1 126 ARG H 1.800 . 2.300 1.992 1.992 1.992 . 0 0 "[ ]" 4
93 1 123 GLU O 1 127 GLU N 2.800 2.400 3.300 3.249 3.249 3.249 . 0 0 "[ ]" 4
94 1 123 GLU O 1 127 GLU H 1.800 . 2.300 2.292 2.292 2.292 . 0 0 "[ ]" 4
95 1 138 TYR O 1 142 VAL N 2.800 2.400 3.300 2.890 2.890 2.890 . 0 0 "[ ]" 4
96 1 138 TYR O 1 142 VAL H 1.800 . 2.300 2.007 2.007 2.007 . 0 0 "[ ]" 4
97 1 139 GLU O 1 143 THR N 2.800 2.400 3.300 2.769 2.769 2.769 . 0 0 "[ ]" 4
98 1 139 GLU O 1 143 THR H 1.800 . 2.300 1.812 1.812 1.812 . 0 0 "[ ]" 4
99 1 140 GLU O 1 144 MET N 2.800 2.400 3.300 3.050 3.050 3.050 . 0 0 "[ ]" 4
100 1 140 GLU O 1 144 MET H 1.800 . 2.300 2.323 2.323 2.323 0.023 1 0 "[ ]" 4
101 1 141 PHE O 1 145 MET N 2.800 2.400 3.300 3.250 3.250 3.250 . 0 0 "[ ]" 4
102 1 141 PHE O 1 145 MET H 1.800 . 2.300 2.319 2.319 2.319 0.019 1 0 "[ ]" 4
103 1 27 ILE N 1 63 ILE O 2.800 2.400 3.600 3.514 3.514 3.514 . 0 0 "[ ]" 4
104 1 27 ILE H 1 63 ILE O 1.800 . 2.600 2.816 2.816 2.816 0.216 1 0 "[ ]" 4
105 1 27 ILE O 1 63 ILE N 2.800 2.400 3.600 3.524 3.524 3.524 . 0 0 "[ ]" 4
106 1 27 ILE O 1 63 ILE H 1.800 . 2.600 2.783 2.783 2.783 0.183 1 0 "[ ]" 4
107 1 100 ILE N 1 136 VAL O 2.800 2.400 3.600 3.103 3.103 3.103 . 0 0 "[ ]" 4
108 1 100 ILE H 1 136 VAL O 1.800 . 2.600 2.216 2.216 2.216 . 0 0 "[ ]" 4
109 1 100 ILE O 1 136 VAL N 2.800 2.400 3.600 3.637 3.637 3.637 0.037 1 0 "[ ]" 4
110 1 100 ILE O 1 136 VAL H 1.800 . 2.600 2.704 2.704 2.704 0.104 1 0 "[ ]" 4
111 1 20 ASP OD1 1 25 GLY N 2.800 2.400 3.600 3.379 3.379 3.379 . 0 0 "[ ]" 4
112 1 20 ASP OD1 1 25 GLY H 1.800 . 2.600 2.462 2.462 2.462 . 0 0 "[ ]" 4
113 1 56 ASP OD1 1 61 GLY N 2.800 2.400 3.600 4.383 4.383 4.383 0.783 1 1 [+] 4
114 1 56 ASP OD1 1 61 GLY H 1.800 . 2.600 3.722 3.722 3.722 1.122 1 1 [+] 4
115 1 93 ASP OD1 1 98 GLY N 2.800 2.400 3.600 3.817 3.817 3.817 0.217 1 0 "[ ]" 4
116 1 93 ASP OD1 1 98 GLY H 1.800 . 2.600 2.872 2.872 2.872 0.272 1 0 "[ ]" 4
117 1 129 ASP OD1 1 134 GLY N 2.800 2.400 3.600 4.432 4.432 4.432 0.832 1 1 [+] 4
118 1 129 ASP OD1 1 134 GLY H 1.800 . 2.600 3.562 3.562 3.562 0.962 1 1 [+] 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.186
_Distance_constraint_stats_list.Viol_max 0.087
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0465
_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
2 4 TRP 0.000 0.000 . 0 "[ ]"
2 5 LYS 0.000 0.000 . 0 "[ ]"
2 6 LYS 0.000 0.000 . 0 "[ ]"
2 7 ASN 0.000 0.000 . 0 "[ ]"
2 8 PHE 0.000 0.000 . 0 "[ ]"
2 9 ILE 0.000 0.000 . 0 "[ ]"
2 10 ALA 0.131 0.087 1 0 "[ ]"
2 11 VAL 0.000 0.000 . 0 "[ ]"
2 12 SER 0.000 0.000 . 0 "[ ]"
2 13 ALA 0.000 0.000 . 0 "[ ]"
2 14 ALA 0.173 0.087 1 0 "[ ]"
2 15 ASN 0.013 0.013 1 0 "[ ]"
2 16 ARG 0.000 0.000 . 0 "[ ]"
2 17 PHE 0.000 0.000 . 0 "[ ]"
2 18 LYS 0.042 0.042 1 0 "[ ]"
2 19 LYS 0.013 0.013 1 0 "[ ]"
2 20 ILE 0.000 0.000 . 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 2 4 TRP O 2 8 PHE N 2.800 2.400 3.300 2.628 2.628 2.628 . 0 0 "[ ]" 5
2 2 4 TRP O 2 8 PHE H 1.800 . 2.300 1.752 1.752 1.752 . 0 0 "[ ]" 5
3 2 5 LYS O 2 9 ILE N 2.800 2.400 3.300 2.499 2.499 2.499 . 0 0 "[ ]" 5
4 2 5 LYS O 2 9 ILE H 1.800 . 2.300 1.644 1.644 1.644 . 0 0 "[ ]" 5
5 2 6 LYS O 2 10 ALA N 2.800 2.400 3.300 2.999 2.999 2.999 . 0 0 "[ ]" 5
6 2 6 LYS O 2 10 ALA H 1.800 . 2.300 2.128 2.128 2.128 . 0 0 "[ ]" 5
7 2 7 ASN O 2 11 VAL N 2.800 2.400 3.300 3.160 3.160 3.160 . 0 0 "[ ]" 5
8 2 7 ASN O 2 11 VAL H 1.800 . 2.300 2.190 2.190 2.190 . 0 0 "[ ]" 5
9 2 8 PHE O 2 12 SER N 2.800 2.400 3.300 2.619 2.619 2.619 . 0 0 "[ ]" 5
10 2 8 PHE O 2 12 SER H 1.800 . 2.300 1.776 1.776 1.776 . 0 0 "[ ]" 5
11 2 9 ILE O 2 13 ALA N 2.800 2.400 3.300 2.818 2.818 2.818 . 0 0 "[ ]" 5
12 2 9 ILE O 2 13 ALA H 1.800 . 2.300 1.967 1.967 1.967 . 0 0 "[ ]" 5
13 2 10 ALA O 2 14 ALA N 2.800 2.400 3.300 3.344 3.344 3.344 0.044 1 0 "[ ]" 5
14 2 10 ALA O 2 14 ALA H 1.800 . 2.300 2.387 2.387 2.387 0.087 1 0 "[ ]" 5
15 2 11 VAL O 2 15 ASN N 2.800 2.400 3.300 2.676 2.676 2.676 . 0 0 "[ ]" 5
16 2 11 VAL O 2 15 ASN H 1.800 . 2.300 1.744 1.744 1.744 . 0 0 "[ ]" 5
17 2 12 SER O 2 16 ARG N 2.800 2.400 3.300 2.778 2.778 2.778 . 0 0 "[ ]" 5
18 2 12 SER O 2 16 ARG H 1.800 . 2.300 1.900 1.900 1.900 . 0 0 "[ ]" 5
19 2 13 ALA O 2 17 PHE N 2.800 2.400 3.300 3.045 3.045 3.045 . 0 0 "[ ]" 5
20 2 13 ALA O 2 17 PHE H 1.800 . 2.300 2.199 2.199 2.199 . 0 0 "[ ]" 5
21 2 14 ALA O 2 18 LYS N 2.800 2.400 3.300 3.057 3.057 3.057 . 0 0 "[ ]" 5
22 2 14 ALA O 2 18 LYS H 1.800 . 2.300 2.342 2.342 2.342 0.042 1 0 "[ ]" 5
23 2 15 ASN O 2 19 LYS N 2.800 2.400 3.300 3.175 3.175 3.175 . 0 0 "[ ]" 5
24 2 15 ASN O 2 19 LYS H 1.800 . 2.300 2.313 2.313 2.313 0.013 1 0 "[ ]" 5
25 2 16 ARG O 2 20 ILE N 2.800 2.400 3.300 2.785 2.785 2.785 . 0 0 "[ ]" 5
26 2 16 ARG O 2 20 ILE H 1.800 . 2.300 1.949 1.949 1.949 . 0 0 "[ ]" 5
stop_
save_
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