NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
477693 |
2l0c   |
17038 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l0c
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 726
_Distance_constraint_stats_list.Viol_count 510
_Distance_constraint_stats_list.Viol_total 250.943
_Distance_constraint_stats_list.Viol_max 0.157
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0246
_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 3 PRO 0.273 0.143 8 0 "[ . 1 . 2]"
1 4 LEU 1.965 0.143 8 0 "[ . 1 . 2]"
1 5 GLN 0.007 0.007 14 0 "[ . 1 . 2]"
1 6 GLN 0.035 0.019 14 0 "[ . 1 . 2]"
1 7 LYS 0.443 0.058 3 0 "[ . 1 . 2]"
1 8 GLN 0.050 0.040 14 0 "[ . 1 . 2]"
1 9 VAL 0.407 0.046 4 0 "[ . 1 . 2]"
1 10 VAL 1.026 0.049 8 0 "[ . 1 . 2]"
1 11 VAL 0.734 0.046 4 0 "[ . 1 . 2]"
1 12 SER 0.434 0.055 7 0 "[ . 1 . 2]"
1 13 ASN 0.366 0.066 10 0 "[ . 1 . 2]"
1 14 LYS 0.284 0.049 20 0 "[ . 1 . 2]"
1 15 ARG 0.356 0.066 10 0 "[ . 1 . 2]"
1 16 GLU 0.226 0.039 9 0 "[ . 1 . 2]"
1 17 LYS 0.478 0.071 5 0 "[ . 1 . 2]"
1 18 PRO 0.018 0.018 16 0 "[ . 1 . 2]"
1 19 VAL 0.067 0.025 20 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASP 0.074 0.038 11 0 "[ . 1 . 2]"
1 22 ARG 0.050 0.038 11 0 "[ . 1 . 2]"
1 23 ARG 0.045 0.033 19 0 "[ . 1 . 2]"
1 24 SER 0.045 0.033 19 0 "[ . 1 . 2]"
1 27 GLN 0.063 0.053 9 0 "[ . 1 . 2]"
1 28 GLU 0.063 0.053 9 0 "[ . 1 . 2]"
1 29 VAL 0.443 0.067 5 0 "[ . 1 . 2]"
1 30 SER 0.303 0.067 5 0 "[ . 1 . 2]"
1 31 PRO 0.140 0.066 13 0 "[ . 1 . 2]"
1 32 ALA 0.090 0.034 12 0 "[ . 1 . 2]"
1 33 GLY 0.090 0.034 12 0 "[ . 1 . 2]"
1 34 THR 0.111 0.043 6 0 "[ . 1 . 2]"
1 35 SER 0.107 0.046 4 0 "[ . 1 . 2]"
1 36 MET 0.256 0.046 4 0 "[ . 1 . 2]"
1 37 ARG 0.016 0.016 3 0 "[ . 1 . 2]"
1 38 TYR 0.237 0.039 9 0 "[ . 1 . 2]"
1 39 GLU 0.901 0.082 8 0 "[ . 1 . 2]"
1 40 ALA 0.194 0.043 10 0 "[ . 1 . 2]"
1 41 SER 0.149 0.058 8 0 "[ . 1 . 2]"
1 42 PHE 0.298 0.045 7 0 "[ . 1 . 2]"
1 43 LYS 0.245 0.046 10 0 "[ . 1 . 2]"
1 44 PRO 0.030 0.020 12 0 "[ . 1 . 2]"
1 45 LEU 0.863 0.058 3 0 "[ . 1 . 2]"
1 46 ASN 0.897 0.109 1 0 "[ . 1 . 2]"
1 47 GLY 1.062 0.109 1 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.117 0.035 4 0 "[ . 1 . 2]"
1 50 GLU 0.117 0.035 4 0 "[ . 1 . 2]"
1 51 LYS 0.117 0.046 1 0 "[ . 1 . 2]"
1 52 THR 0.526 0.071 5 0 "[ . 1 . 2]"
1 53 PHE 0.018 0.006 10 0 "[ . 1 . 2]"
1 54 ARG 0.262 0.045 5 0 "[ . 1 . 2]"
1 55 LEU 1.055 0.082 8 0 "[ . 1 . 2]"
1 56 GLN 0.064 0.031 6 0 "[ . 1 . 2]"
1 57 ALA 0.007 0.007 18 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLN 0.099 0.031 6 0 "[ . 1 . 2]"
1 60 TYR 0.288 0.057 5 0 "[ . 1 . 2]"
1 61 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ALA 0.039 0.024 15 0 "[ . 1 . 2]"
1 63 LEU 0.550 0.057 5 0 "[ . 1 . 2]"
1 64 THR 0.125 0.043 17 0 "[ . 1 . 2]"
1 65 VAL 1.421 0.080 6 0 "[ . 1 . 2]"
1 66 GLY 0.104 0.018 10 0 "[ . 1 . 2]"
1 67 ASP 0.678 0.080 6 0 "[ . 1 . 2]"
1 68 GLN 0.205 0.022 15 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 0.228 0.079 6 0 "[ . 1 . 2]"
1 71 LEU 0.086 0.023 7 0 "[ . 1 . 2]"
1 72 SER 1.351 0.128 13 0 "[ . 1 . 2]"
1 73 TYR 0.334 0.053 12 0 "[ . 1 . 2]"
1 74 LYS 0.182 0.039 6 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 0.051 0.040 20 0 "[ . 1 . 2]"
1 78 PHE 0.173 0.045 2 0 "[ . 1 . 2]"
1 79 VAL 0.083 0.040 20 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 PHE 0.254 0.043 7 0 "[ . 1 . 2]"
1 82 VAL 0.015 0.012 1 0 "[ . 1 . 2]"
1 83 SER 0.062 0.025 3 0 "[ . 1 . 2]"
1 84 ARG 0.600 0.157 6 0 "[ . 1 . 2]"
1 85 THR 0.364 0.084 12 0 "[ . 1 . 2]"
1 86 PRO 0.032 0.032 8 0 "[ . 1 . 2]"
1 87 ASP 0.155 0.041 9 0 "[ . 1 . 2]"
1 88 ASN 0.239 0.041 9 0 "[ . 1 . 2]"
1 89 GLU 0.299 0.049 19 0 "[ . 1 . 2]"
1 90 LEU 0.310 0.049 19 0 "[ . 1 . 2]"
1 91 GLU 0.127 0.046 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 SER H 1 13 ASN H 1.800 . 3.000 2.668 2.465 2.933 . 0 0 "[ . 1 . 2]" 1
2 1 29 VAL H 1 30 SER H 1.800 . 3.500 2.743 2.058 3.567 0.067 5 0 "[ . 1 . 2]" 1
3 1 32 ALA H 1 33 GLY H 1.800 . 3.500 2.706 1.776 3.534 0.034 12 0 "[ . 1 . 2]" 1
4 1 35 SER H 1 36 MET H 1.800 . 5.000 3.727 2.254 4.568 . 0 0 "[ . 1 . 2]" 1
5 1 36 MET H 1 37 ARG H 1.800 . 5.000 3.711 2.121 4.608 . 0 0 "[ . 1 . 2]" 1
6 1 46 ASN H 1 47 GLY H 1.800 . 5.000 3.172 2.547 4.273 . 0 0 "[ . 1 . 2]" 1
7 1 47 GLY H 1 48 GLY H 1.800 . 5.000 3.914 2.018 4.484 . 0 0 "[ . 1 . 2]" 1
8 1 49 LEU H 1 50 GLU H 1.800 . 5.000 4.466 3.443 4.598 . 0 0 "[ . 1 . 2]" 1
9 1 57 ALA H 1 58 GLN H 1.800 . 5.000 2.794 2.443 3.383 . 0 0 "[ . 1 . 2]" 1
10 1 58 GLN H 1 59 GLN H 1.800 . 5.000 2.634 2.530 2.777 . 0 0 "[ . 1 . 2]" 1
11 1 59 GLN H 1 60 TYR H 1.800 . 3.500 2.493 2.267 2.610 . 0 0 "[ . 1 . 2]" 1
12 1 60 TYR H 1 61 HIS H 1.800 . 5.000 2.588 2.400 2.779 . 0 0 "[ . 1 . 2]" 1
13 1 61 HIS H 1 62 ALA H 1.800 . 3.500 2.579 2.249 2.807 . 0 0 "[ . 1 . 2]" 1
14 1 63 LEU H 1 64 THR H 1.800 . 5.000 4.413 4.018 4.597 . 0 0 "[ . 1 . 2]" 1
15 1 66 GLY H 1 67 ASP H 1.800 . 5.000 2.581 2.304 2.967 . 0 0 "[ . 1 . 2]" 1
16 1 67 ASP H 1 68 GLN H 1.800 . 5.000 4.104 4.042 4.155 . 0 0 "[ . 1 . 2]" 1
17 1 76 THR H 1 77 ARG H 1.800 . 5.000 2.315 1.868 3.596 . 0 0 "[ . 1 . 2]" 1
18 1 78 PHE H 1 79 VAL H 1.800 . 5.000 4.412 3.534 4.571 . 0 0 "[ . 1 . 2]" 1
19 1 79 VAL H 1 80 GLY H 1.800 . 3.500 2.357 2.203 2.497 . 0 0 "[ . 1 . 2]" 1
20 1 80 GLY H 1 81 PHE H 1.800 . 5.000 4.260 4.135 4.380 . 0 0 "[ . 1 . 2]" 1
21 1 84 ARG H 1 85 THR H 1.800 . 5.000 2.857 1.783 4.457 0.017 6 0 "[ . 1 . 2]" 1
22 1 89 GLU H 1 90 LEU H 1.800 . 3.500 2.509 1.782 3.473 0.018 14 0 "[ . 1 . 2]" 1
23 1 4 LEU HA 1 5 GLN H 1.800 . 3.500 2.190 2.145 2.381 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLN HA 1 6 GLN H 1.800 . 3.500 2.119 2.096 2.143 . 0 0 "[ . 1 . 2]" 1
25 1 6 GLN HA 1 7 LYS H 1.800 . 3.500 2.123 2.067 2.172 . 0 0 "[ . 1 . 2]" 1
26 1 7 LYS HA 1 8 GLN H 1.800 . 2.900 2.289 2.177 2.439 . 0 0 "[ . 1 . 2]" 1
27 1 8 GLN HA 1 9 VAL H 1.800 . 3.500 2.134 2.106 2.180 . 0 0 "[ . 1 . 2]" 1
28 1 9 VAL HA 1 10 VAL H 1.800 . 3.500 2.434 2.316 2.554 . 0 0 "[ . 1 . 2]" 1
29 1 10 VAL HA 1 11 VAL H 1.800 . 3.500 2.179 2.155 2.221 . 0 0 "[ . 1 . 2]" 1
30 1 11 VAL HA 1 12 SER H 1.800 . 3.500 2.185 2.144 2.261 . 0 0 "[ . 1 . 2]" 1
31 1 13 ASN HA 1 14 LYS H 1.800 . 2.900 2.363 2.180 2.611 . 0 0 "[ . 1 . 2]" 1
32 1 15 ARG HA 1 16 GLU H 1.800 . 2.900 2.354 2.172 2.710 . 0 0 "[ . 1 . 2]" 1
33 1 16 GLU HA 1 17 LYS H 1.800 . 2.900 2.189 2.133 2.238 . 0 0 "[ . 1 . 2]" 1
34 1 18 PRO HA 1 19 VAL H 1.800 . 2.900 2.177 2.122 2.245 . 0 0 "[ . 1 . 2]" 1
35 1 21 ASP HA 1 22 ARG H 1.800 . 3.500 2.726 2.114 3.538 0.038 11 0 "[ . 1 . 2]" 1
36 1 23 ARG HA 1 24 SER H 1.800 . 3.500 2.667 2.106 3.533 0.033 19 0 "[ . 1 . 2]" 1
37 1 28 GLU HA 1 29 VAL H 1.800 . 2.900 2.342 2.117 2.781 . 0 0 "[ . 1 . 2]" 1
38 1 29 VAL HA 1 30 SER H 1.800 . 3.500 3.238 2.240 3.538 0.038 18 0 "[ . 1 . 2]" 1
39 1 31 PRO HA 1 32 ALA H 1.800 . 3.500 2.844 2.152 3.462 . 0 0 "[ . 1 . 2]" 1
40 1 35 SER HA 1 36 MET H 1.800 . 3.500 2.651 2.139 3.546 0.046 4 0 "[ . 1 . 2]" 1
41 1 36 MET HA 1 37 ARG H 1.800 . 3.500 2.534 2.078 3.415 . 0 0 "[ . 1 . 2]" 1
42 1 37 ARG HA 1 38 TYR H 1.800 . 3.500 2.158 2.094 2.231 . 0 0 "[ . 1 . 2]" 1
43 1 38 TYR HA 1 39 GLU H 1.800 . 3.500 2.233 2.117 2.648 . 0 0 "[ . 1 . 2]" 1
44 1 39 GLU HA 1 40 ALA H 1.800 . 2.900 2.276 2.158 2.431 . 0 0 "[ . 1 . 2]" 1
45 1 41 SER HA 1 42 PHE H 1.800 . 3.500 2.133 2.103 2.159 . 0 0 "[ . 1 . 2]" 1
46 1 42 PHE HA 1 43 LYS H 1.800 . 3.500 2.112 2.072 2.147 . 0 0 "[ . 1 . 2]" 1
47 1 44 PRO HA 1 45 LEU H 1.800 . 3.500 2.164 2.138 2.218 . 0 0 "[ . 1 . 2]" 1
48 1 46 ASN HA 1 47 GLY H 1.800 . 2.900 2.675 2.118 3.009 0.109 1 0 "[ . 1 . 2]" 1
49 1 48 GLY QA 1 49 LEU H 1.800 . 3.500 2.224 2.091 2.287 . 0 0 "[ . 1 . 2]" 1
50 1 49 LEU HA 1 50 GLU H 1.800 . 2.900 2.230 2.122 2.379 . 0 0 "[ . 1 . 2]" 1
51 1 50 GLU HA 1 51 LYS H 1.800 . 3.500 2.152 2.111 2.213 . 0 0 "[ . 1 . 2]" 1
52 1 51 LYS HA 1 52 THR H 1.800 . 2.900 2.156 2.096 2.265 . 0 0 "[ . 1 . 2]" 1
53 1 52 THR HA 1 53 PHE H 1.800 . 3.500 2.157 2.137 2.207 . 0 0 "[ . 1 . 2]" 1
54 1 53 PHE HA 1 54 ARG H 1.800 . 3.500 2.233 2.157 2.360 . 0 0 "[ . 1 . 2]" 1
55 1 54 ARG HA 1 55 LEU H 1.800 . 3.500 2.162 2.105 2.233 . 0 0 "[ . 1 . 2]" 1
56 1 56 GLN HA 1 57 ALA H 1.800 . 3.500 2.510 2.358 2.843 . 0 0 "[ . 1 . 2]" 1
57 1 63 LEU HA 1 64 THR H 1.800 . 3.500 2.266 2.120 2.511 . 0 0 "[ . 1 . 2]" 1
58 1 64 THR HA 1 65 VAL H 1.800 . 2.900 2.209 2.139 2.321 . 0 0 "[ . 1 . 2]" 1
59 1 65 VAL HA 1 66 GLY H 1.800 . 3.500 2.139 2.115 2.160 . 0 0 "[ . 1 . 2]" 1
60 1 67 ASP HA 1 68 GLN H 1.800 . 2.900 2.193 2.135 2.245 . 0 0 "[ . 1 . 2]" 1
61 1 68 GLN HA 1 69 GLY H 1.800 . 3.500 2.176 2.142 2.220 . 0 0 "[ . 1 . 2]" 1
62 1 70 THR HA 1 71 LEU H 1.800 . 3.500 2.181 2.135 2.248 . 0 0 "[ . 1 . 2]" 1
63 1 72 SER HA 1 73 TYR H 1.800 . 3.500 2.164 2.123 2.217 . 0 0 "[ . 1 . 2]" 1
64 1 73 TYR HA 1 74 LYS H 1.800 . 3.500 2.291 2.098 2.444 . 0 0 "[ . 1 . 2]" 1
65 1 77 ARG HA 1 78 PHE H 1.800 . 3.500 2.190 2.078 3.487 . 0 0 "[ . 1 . 2]" 1
66 1 78 PHE HA 1 79 VAL H 1.800 . 3.500 2.166 2.146 2.182 . 0 0 "[ . 1 . 2]" 1
67 1 80 GLY QA 1 81 PHE H 1.800 . 3.500 2.192 2.137 2.276 . 0 0 "[ . 1 . 2]" 1
68 1 81 PHE HA 1 82 VAL H 1.800 . 3.500 2.169 2.117 2.205 . 0 0 "[ . 1 . 2]" 1
69 1 82 VAL HA 1 83 SER H 1.800 . 2.900 2.190 2.142 2.225 . 0 0 "[ . 1 . 2]" 1
70 1 83 SER HA 1 84 ARG H 1.800 . 3.500 2.399 2.153 3.519 0.019 6 0 "[ . 1 . 2]" 1
71 1 84 ARG HA 1 85 THR H 1.800 . 3.500 3.124 2.112 3.541 0.041 9 0 "[ . 1 . 2]" 1
72 1 86 PRO HA 1 87 ASP H 1.800 . 2.900 2.400 2.123 2.932 0.032 8 0 "[ . 1 . 2]" 1
73 1 87 ASP HA 1 88 ASN H 1.800 . 3.500 2.887 2.118 3.541 0.041 9 0 "[ . 1 . 2]" 1
74 1 88 ASN HA 1 89 GLU H 1.800 . 3.500 2.927 2.171 3.533 0.033 3 0 "[ . 1 . 2]" 1
75 1 89 GLU HA 1 90 LEU H 1.800 . 3.500 3.290 2.590 3.549 0.049 19 0 "[ . 1 . 2]" 1
76 1 90 LEU HA 1 91 GLU H 1.800 . 3.500 2.719 2.082 3.523 0.023 1 0 "[ . 1 . 2]" 1
77 1 11 VAL HA 1 13 ASN H 1.800 . 5.000 4.213 4.012 4.504 . 0 0 "[ . 1 . 2]" 1
78 1 45 LEU HA 1 47 GLY H 1.800 . 5.000 4.164 3.346 5.040 0.040 7 0 "[ . 1 . 2]" 1
79 1 57 ALA HA 1 59 GLN H 1.800 . 5.000 4.253 3.875 4.686 . 0 0 "[ . 1 . 2]" 1
80 1 60 TYR HA 1 62 ALA H 1.800 . 5.000 3.713 3.439 4.121 . 0 0 "[ . 1 . 2]" 1
81 1 65 VAL HA 1 67 ASP H 1.800 . 5.000 3.336 3.173 3.517 . 0 0 "[ . 1 . 2]" 1
82 1 78 PHE HA 1 80 GLY H 1.800 . 5.000 4.081 3.551 4.370 . 0 0 "[ . 1 . 2]" 1
83 1 57 ALA HA 1 60 TYR H 1.800 . 5.000 3.524 3.130 4.181 . 0 0 "[ . 1 . 2]" 1
84 1 58 GLN HA 1 61 HIS H 1.800 . 5.000 3.543 3.212 3.918 . 0 0 "[ . 1 . 2]" 1
85 1 59 GLN HA 1 62 ALA H 1.800 . 5.000 3.597 3.139 4.039 . 0 0 "[ . 1 . 2]" 1
86 1 60 TYR HA 1 63 LEU H 1.800 . 5.000 3.483 2.905 4.080 . 0 0 "[ . 1 . 2]" 1
87 1 57 ALA HA 1 61 HIS H 1.800 . 5.000 4.327 3.974 4.626 . 0 0 "[ . 1 . 2]" 1
88 1 9 VAL HB 1 10 VAL H 1.800 . 3.500 2.238 2.004 2.504 . 0 0 "[ . 1 . 2]" 1
89 1 10 VAL HB 1 11 VAL H 1.800 . 5.000 4.201 3.874 4.284 . 0 0 "[ . 1 . 2]" 1
90 1 19 VAL HB 1 20 ASN H 1.800 . 5.000 3.963 1.928 4.442 . 0 0 "[ . 1 . 2]" 1
91 1 29 VAL HB 1 30 SER H 1.800 . 5.000 3.155 1.843 4.468 . 0 0 "[ . 1 . 2]" 1
92 1 52 THR HB 1 53 PHE H 1.800 . 5.000 4.264 4.085 4.378 . 0 0 "[ . 1 . 2]" 1
93 1 65 VAL HB 1 66 GLY H 1.800 . 5.000 4.264 4.143 4.369 . 0 0 "[ . 1 . 2]" 1
94 1 70 THR HB 1 71 LEU H 1.800 . 5.000 3.898 3.006 4.138 . 0 0 "[ . 1 . 2]" 1
95 1 79 VAL HB 1 80 GLY H 1.800 . 5.000 2.403 2.167 2.767 . 0 0 "[ . 1 . 2]" 1
96 1 82 VAL HB 1 83 SER H 1.800 . 5.000 4.398 4.291 4.441 . 0 0 "[ . 1 . 2]" 1
97 1 4 LEU HG 1 5 GLN H 1.800 . 5.000 3.498 3.099 3.871 . 0 0 "[ . 1 . 2]" 1
98 1 4 LEU MD1 1 5 GLN H 1.800 . 5.000 3.171 2.489 4.693 . 0 0 "[ . 1 . 2]" 1
99 1 4 LEU MD2 1 5 GLN H 1.800 . 5.000 4.727 4.185 5.007 0.007 14 0 "[ . 1 . 2]" 1
100 1 5 GLN QG 1 6 GLN H 1.800 . 5.000 4.058 3.108 4.681 . 0 0 "[ . 1 . 2]" 1
101 1 7 LYS QG 1 8 GLN H 1.800 . 5.000 2.691 1.760 4.553 0.040 14 0 "[ . 1 . 2]" 1
102 1 7 LYS QD 1 8 GLN H 1.800 . 5.000 3.732 2.128 4.624 . 0 0 "[ . 1 . 2]" 1
103 1 8 GLN QG 1 9 VAL H 1.800 . 5.000 3.960 2.900 4.748 . 0 0 "[ . 1 . 2]" 1
104 1 9 VAL MG1 1 10 VAL H 1.800 . 5.000 3.513 3.441 3.638 . 0 0 "[ . 1 . 2]" 1
105 1 9 VAL MG2 1 10 VAL H 1.800 . 5.000 3.386 3.187 3.591 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL MG1 1 11 VAL H 1.800 . 5.000 2.859 2.533 3.000 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL MG2 1 11 VAL H 1.800 . 5.000 4.199 4.098 4.258 . 0 0 "[ . 1 . 2]" 1
108 1 11 VAL MG1 1 12 SER H 1.800 . 5.000 3.297 3.117 3.529 . 0 0 "[ . 1 . 2]" 1
109 1 11 VAL MG2 1 12 SER H 1.800 . 5.000 4.277 4.215 4.362 . 0 0 "[ . 1 . 2]" 1
110 1 14 LYS QG 1 15 ARG H 1.800 . 5.000 3.644 2.322 4.455 . 0 0 "[ . 1 . 2]" 1
111 1 15 ARG QG 1 16 GLU H 1.800 . 5.000 3.623 2.018 4.741 . 0 0 "[ . 1 . 2]" 1
112 1 15 ARG QD 1 16 GLU H 1.800 . 5.000 4.472 3.548 5.024 0.024 16 0 "[ . 1 . 2]" 1
113 1 29 VAL MG1 1 30 SER H 1.800 . 5.000 3.568 2.197 4.258 . 0 0 "[ . 1 . 2]" 1
114 1 29 VAL MG2 1 30 SER H 1.800 . 5.000 3.879 3.491 4.355 . 0 0 "[ . 1 . 2]" 1
115 1 36 MET QG 1 37 ARG H 1.800 . 5.000 4.263 3.740 4.580 . 0 0 "[ . 1 . 2]" 1
116 1 37 ARG QG 1 38 TYR H 1.800 . 5.000 4.273 3.528 4.876 . 0 0 "[ . 1 . 2]" 1
117 1 39 GLU QG 1 40 ALA H 1.800 . 5.000 4.049 3.892 4.296 . 0 0 "[ . 1 . 2]" 1
118 1 49 LEU HG 1 50 GLU H 1.800 . 5.000 3.922 1.951 5.021 0.021 15 0 "[ . 1 . 2]" 1
119 1 49 LEU MD1 1 50 GLU H 1.800 . 5.000 3.667 2.050 5.011 0.011 15 0 "[ . 1 . 2]" 1
120 1 49 LEU MD2 1 50 GLU H 1.800 . 5.000 3.841 3.248 5.035 0.035 4 0 "[ . 1 . 2]" 1
121 1 50 GLU QG 1 51 LYS H 1.800 . 5.000 4.154 3.917 4.374 . 0 0 "[ . 1 . 2]" 1
122 1 51 LYS QG 1 52 THR H 1.800 . 5.000 4.114 3.831 4.406 . 0 0 "[ . 1 . 2]" 1
123 1 52 THR MG 1 53 PHE H 1.800 . 5.000 3.050 2.698 3.378 . 0 0 "[ . 1 . 2]" 1
124 1 54 ARG QG 1 55 LEU H 1.800 . 5.000 3.594 2.402 4.736 . 0 0 "[ . 1 . 2]" 1
125 1 54 ARG QD 1 55 LEU H 1.800 . 5.000 4.774 3.771 5.045 0.045 5 0 "[ . 1 . 2]" 1
126 1 55 LEU MD1 1 56 GLN H 1.800 . 5.000 4.522 3.931 4.867 . 0 0 "[ . 1 . 2]" 1
127 1 55 LEU MD2 1 56 GLN H 1.800 . 5.000 3.338 3.073 3.533 . 0 0 "[ . 1 . 2]" 1
128 1 56 GLN QG 1 57 ALA H 1.800 . 5.000 3.521 1.801 4.271 . 0 0 "[ . 1 . 2]" 1
129 1 63 LEU MD1 1 64 THR H 1.800 . 5.000 3.333 2.208 4.357 . 0 0 "[ . 1 . 2]" 1
130 1 63 LEU MD2 1 64 THR H 1.800 . 5.000 4.429 3.929 5.018 0.018 19 0 "[ . 1 . 2]" 1
131 1 64 THR MG 1 65 VAL H 1.800 . 5.000 2.665 2.189 3.419 . 0 0 "[ . 1 . 2]" 1
132 1 65 VAL MG1 1 66 GLY H 1.800 . 5.000 2.678 2.470 2.880 . 0 0 "[ . 1 . 2]" 1
133 1 65 VAL MG2 1 66 GLY H 1.800 . 5.000 3.834 3.741 3.929 . 0 0 "[ . 1 . 2]" 1
134 1 68 GLN QG 1 69 GLY H 1.800 . 5.000 4.255 3.851 4.470 . 0 0 "[ . 1 . 2]" 1
135 1 70 THR MG 1 71 LEU H 1.800 . 5.000 2.598 2.294 3.406 . 0 0 "[ . 1 . 2]" 1
136 1 71 LEU HG 1 72 SER H 1.800 . 5.000 3.224 2.873 3.390 . 0 0 "[ . 1 . 2]" 1
137 1 71 LEU MD1 1 72 SER H 1.800 . 5.000 2.428 2.242 2.740 . 0 0 "[ . 1 . 2]" 1
138 1 76 THR MG 1 77 ARG H 1.800 . 5.000 4.233 2.923 4.375 . 0 0 "[ . 1 . 2]" 1
139 1 77 ARG QG 1 78 PHE H 1.800 . 5.000 3.120 2.389 4.348 . 0 0 "[ . 1 . 2]" 1
140 1 79 VAL MG1 1 80 GLY H 1.800 . 5.000 3.290 3.044 3.696 . 0 0 "[ . 1 . 2]" 1
141 1 79 VAL MG2 1 80 GLY H 1.800 . 5.000 3.730 3.654 3.771 . 0 0 "[ . 1 . 2]" 1
142 1 82 VAL QG 1 83 SER H 1.800 . 5.000 3.189 2.950 3.325 . 0 0 "[ . 1 . 2]" 1
143 1 84 ARG QG 1 85 THR H 1.800 . 5.000 4.064 2.975 4.813 . 0 0 "[ . 1 . 2]" 1
144 1 86 PRO QG 1 87 ASP H 1.800 . 5.000 4.377 3.738 4.839 . 0 0 "[ . 1 . 2]" 1
145 1 86 PRO QD 1 87 ASP H 1.800 . 5.000 4.711 3.263 4.985 . 0 0 "[ . 1 . 2]" 1
146 1 89 GLU QG 1 90 LEU H 1.800 . 5.000 4.079 2.816 4.687 . 0 0 "[ . 1 . 2]" 1
147 1 90 LEU MD1 1 91 GLU H 1.800 . 5.000 4.358 2.489 5.046 0.046 12 0 "[ . 1 . 2]" 1
148 1 5 GLN H 1 6 GLN QG 1.800 . 6.000 4.500 4.091 4.923 . 0 0 "[ . 1 . 2]" 1
149 1 27 GLN H 1 28 GLU QB 1.800 . 6.000 5.024 3.832 6.053 0.053 9 0 "[ . 1 . 2]" 1
150 1 35 SER H 1 36 MET QG 1.800 . 6.000 4.830 2.869 6.010 0.010 12 0 "[ . 1 . 2]" 1
151 1 61 HIS H 1 62 ALA MB 1.800 . 6.000 4.250 3.948 4.526 . 0 0 "[ . 1 . 2]" 1
152 1 81 PHE H 1 82 VAL QG 1.800 . 6.000 4.114 3.580 4.536 . 0 0 "[ . 1 . 2]" 1
153 1 85 THR H 1 86 PRO QD 1.800 . 6.000 3.786 2.292 4.385 . 0 0 "[ . 1 . 2]" 1
154 1 88 ASN H 1 89 GLU QB 1.800 . 6.000 4.814 4.146 6.028 0.028 16 0 "[ . 1 . 2]" 1
155 1 56 GLN QB 1 58 GLN H 1.800 . 5.000 2.986 2.541 4.042 . 0 0 "[ . 1 . 2]" 1
156 1 57 ALA MB 1 59 GLN H 1.800 . 5.000 4.379 3.937 4.798 . 0 0 "[ . 1 . 2]" 1
157 1 83 SER QB 1 85 THR H 1.800 . 5.000 3.374 2.266 5.025 0.025 3 0 "[ . 1 . 2]" 1
158 1 10 VAL MG1 1 12 SER H 1.800 . 5.000 3.709 3.299 4.089 . 0 0 "[ . 1 . 2]" 1
159 1 11 VAL MG1 1 13 ASN H 1.800 . 5.000 3.531 3.150 3.911 . 0 0 "[ . 1 . 2]" 1
160 1 34 THR MG 1 36 MET H 1.800 . 5.000 3.863 1.777 5.043 0.043 6 0 "[ . 1 . 2]" 1
161 1 65 VAL MG1 1 67 ASP H 1.800 . 5.000 4.398 4.318 4.530 . 0 0 "[ . 1 . 2]" 1
162 1 65 VAL MG2 1 67 ASP H 1.800 . 5.000 5.016 4.908 5.080 0.080 6 0 "[ . 1 . 2]" 1
163 1 44 PRO QB 1 47 GLY H 1.800 . 5.000 3.630 2.948 5.020 0.020 12 0 "[ . 1 . 2]" 1
164 1 56 GLN QB 1 59 GLN H 1.800 . 5.000 2.723 1.884 3.777 . 0 0 "[ . 1 . 2]" 1
165 1 64 THR HB 1 67 ASP H 1.800 . 5.000 3.589 3.164 4.171 . 0 0 "[ . 1 . 2]" 1
166 1 64 THR MG 1 67 ASP H 1.800 . 5.000 3.553 2.976 4.423 . 0 0 "[ . 1 . 2]" 1
167 1 78 PHE QE 1 81 PHE H 1.800 . 5.000 3.628 3.235 4.375 . 0 0 "[ . 1 . 2]" 1
168 1 44 PRO QB 1 48 GLY H 1.800 . 5.000 3.900 2.543 4.887 . 0 0 "[ . 1 . 2]" 1
169 1 55 LEU QB 1 59 GLN H 1.800 . 5.000 4.355 4.152 4.989 . 0 0 "[ . 1 . 2]" 1
170 1 57 ALA HA 1 60 TYR QB 1.800 . 5.000 2.745 2.081 3.679 . 0 0 "[ . 1 . 2]" 1
171 1 58 GLN HA 1 61 HIS QB 1.800 . 5.000 2.767 2.079 3.402 . 0 0 "[ . 1 . 2]" 1
172 1 59 GLN HA 1 62 ALA MB 1.800 . 5.000 3.101 2.117 4.106 . 0 0 "[ . 1 . 2]" 1
173 1 60 TYR HA 1 63 LEU HG 1.800 . 5.000 3.674 2.612 5.001 0.001 7 0 "[ . 1 . 2]" 1
174 1 60 TYR HA 1 63 LEU MD1 1.800 . 5.000 4.088 2.591 5.057 0.057 5 0 "[ . 1 . 2]" 1
175 1 60 TYR HA 1 63 LEU MD2 1.800 . 5.000 2.904 1.814 4.110 . 0 0 "[ . 1 . 2]" 1
176 1 7 LYS H 1 71 LEU H 1.800 . 5.000 2.738 2.308 3.097 . 0 0 "[ . 1 . 2]" 1
177 1 9 VAL H 1 69 GLY H 1.800 . 5.000 2.944 2.722 3.141 . 0 0 "[ . 1 . 2]" 1
178 1 10 VAL H 1 43 LYS H 1.800 . 5.000 2.923 2.685 3.376 . 0 0 "[ . 1 . 2]" 1
179 1 11 VAL H 1 43 LYS H 1.800 . 5.000 4.778 4.642 4.995 . 0 0 "[ . 1 . 2]" 1
180 1 12 SER H 1 43 LYS H 1.800 . 5.000 3.420 3.153 3.643 . 0 0 "[ . 1 . 2]" 1
181 1 13 ASN H 1 41 SER H 1.800 . 3.500 3.021 2.687 3.360 . 0 0 "[ . 1 . 2]" 1
182 1 15 ARG H 1 41 SER H 1.800 . 5.000 4.439 3.650 4.993 . 0 0 "[ . 1 . 2]" 1
183 1 40 ALA H 1 53 PHE H 1.800 . 5.000 3.033 2.704 3.420 . 0 0 "[ . 1 . 2]" 1
184 1 42 PHE H 1 51 LYS H 1.800 . 5.000 3.137 2.857 3.677 . 0 0 "[ . 1 . 2]" 1
185 1 70 THR H 1 82 VAL H 1.800 . 5.000 4.006 3.590 4.226 . 0 0 "[ . 1 . 2]" 1
186 1 70 THR H 1 84 ARG H 1.800 . 5.000 4.276 3.003 5.079 0.079 6 0 "[ . 1 . 2]" 1
187 1 72 SER H 1 80 GLY H 1.800 . 5.000 3.513 3.323 3.761 . 0 0 "[ . 1 . 2]" 1
188 1 74 LYS H 1 77 ARG H 1.800 . 5.000 3.539 3.223 4.032 . 0 0 "[ . 1 . 2]" 1
189 1 4 LEU HA 1 73 TYR H 1.800 . 5.000 4.612 4.184 5.032 0.032 3 0 "[ . 1 . 2]" 1
190 1 9 VAL HA 1 45 LEU H 1.800 . 5.000 3.276 2.581 4.118 . 0 0 "[ . 1 . 2]" 1
191 1 10 VAL HA 1 69 GLY H 1.800 . 5.000 3.867 3.568 4.193 . 0 0 "[ . 1 . 2]" 1
192 1 11 VAL HA 1 66 GLY H 1.800 . 5.000 4.510 4.387 4.661 . 0 0 "[ . 1 . 2]" 1
193 1 12 SER HA 1 66 GLY H 1.800 . 5.000 4.136 3.673 4.562 . 0 0 "[ . 1 . 2]" 1
194 1 14 LYS HA 1 39 GLU H 1.800 . 5.000 4.690 4.310 5.009 0.009 16 0 "[ . 1 . 2]" 1
195 1 14 LYS HA 1 40 ALA H 1.800 . 5.000 4.881 4.657 5.043 0.043 10 0 "[ . 1 . 2]" 1
196 1 14 LYS HA 1 41 SER H 1.800 . 5.000 3.429 3.026 3.896 . 0 0 "[ . 1 . 2]" 1
197 1 39 GLU HA 1 55 LEU H 1.800 . 5.000 2.556 2.286 2.927 . 0 0 "[ . 1 . 2]" 1
198 1 41 SER HA 1 53 PHE H 1.800 . 5.000 3.742 3.302 4.237 . 0 0 "[ . 1 . 2]" 1
199 1 43 LYS HA 1 51 LYS H 1.800 . 5.000 3.781 3.256 4.180 . 0 0 "[ . 1 . 2]" 1
200 1 71 LEU HA 1 82 VAL H 1.800 . 5.000 3.060 2.757 3.354 . 0 0 "[ . 1 . 2]" 1
201 1 73 TYR HA 1 79 VAL H 1.800 . 5.000 2.328 2.072 2.588 . 0 0 "[ . 1 . 2]" 1
202 1 7 LYS H 1 70 THR HA 1.800 . 5.000 4.318 3.587 4.906 . 0 0 "[ . 1 . 2]" 1
203 1 9 VAL H 1 70 THR HA 1.800 . 5.000 3.551 3.167 3.844 . 0 0 "[ . 1 . 2]" 1
204 1 10 VAL H 1 68 GLN HA 1.800 . 5.000 4.863 4.595 5.019 0.019 20 0 "[ . 1 . 2]" 1
205 1 12 SER H 1 42 PHE HA 1.800 . 5.000 3.186 2.797 3.528 . 0 0 "[ . 1 . 2]" 1
206 1 15 ARG H 1 40 ALA HA 1.800 . 5.000 3.308 2.830 3.803 . 0 0 "[ . 1 . 2]" 1
207 1 40 ALA H 1 54 ARG HA 1.800 . 5.000 3.819 3.453 4.278 . 0 0 "[ . 1 . 2]" 1
208 1 42 PHE H 1 52 THR HA 1.800 . 5.000 3.332 3.034 3.685 . 0 0 "[ . 1 . 2]" 1
209 1 72 SER H 1 81 PHE HA 1.800 . 5.000 2.915 2.764 3.152 . 0 0 "[ . 1 . 2]" 1
210 1 11 VAL H 1 68 GLN HA 1.800 . 5.000 3.461 3.081 3.894 . 0 0 "[ . 1 . 2]" 1
211 1 4 LEU HA 1 74 LYS HA 1.800 . 5.000 3.482 1.777 4.532 0.023 5 0 "[ . 1 . 2]" 1
212 1 10 VAL HA 1 68 GLN HA 1.800 . 3.500 2.510 2.286 2.817 . 0 0 "[ . 1 . 2]" 1
213 1 11 VAL HA 1 42 PHE HA 1.800 . 5.000 2.754 2.547 2.927 . 0 0 "[ . 1 . 2]" 1
214 1 12 SER HA 1 66 GLY QA 1.800 . 5.000 4.389 3.994 4.877 . 0 0 "[ . 1 . 2]" 1
215 1 39 GLU HA 1 54 ARG HA 1.800 . 5.000 2.320 1.892 2.842 . 0 0 "[ . 1 . 2]" 1
216 1 41 SER HA 1 52 THR HA 1.800 . 5.000 2.241 1.902 2.744 . 0 0 "[ . 1 . 2]" 1
217 1 9 VAL HA 1 44 PRO HA 1.800 . 5.000 3.298 2.362 4.482 . 0 0 "[ . 1 . 2]" 1
218 1 4 LEU MD1 1 73 TYR H 1.800 . 5.000 3.143 2.728 3.506 . 0 0 "[ . 1 . 2]" 1
219 1 4 LEU MD2 1 73 TYR H 1.800 . 5.000 4.683 4.214 5.053 0.053 12 0 "[ . 1 . 2]" 1
220 1 9 VAL HB 1 43 LYS H 1.800 . 5.000 3.252 2.937 3.906 . 0 0 "[ . 1 . 2]" 1
221 1 9 VAL MG2 1 43 LYS H 1.800 . 5.000 4.139 3.893 4.497 . 0 0 "[ . 1 . 2]" 1
222 1 9 VAL MG1 1 45 LEU H 1.800 . 5.000 3.336 2.728 3.853 . 0 0 "[ . 1 . 2]" 1
223 1 9 VAL MG2 1 69 GLY H 1.800 . 5.000 3.580 3.302 3.814 . 0 0 "[ . 1 . 2]" 1
224 1 9 VAL MG2 1 71 LEU H 1.800 . 5.000 3.522 3.304 3.806 . 0 0 "[ . 1 . 2]" 1
225 1 10 VAL MG1 1 43 LYS H 1.800 . 5.000 4.198 4.029 4.394 . 0 0 "[ . 1 . 2]" 1
226 1 10 VAL MG2 1 43 LYS H 1.800 . 5.000 4.385 3.977 4.584 . 0 0 "[ . 1 . 2]" 1
227 1 10 VAL MG1 1 66 GLY H 1.800 . 5.000 3.551 3.092 3.732 . 0 0 "[ . 1 . 2]" 1
228 1 10 VAL MG1 1 67 ASP H 1.800 . 5.000 4.666 4.274 5.001 0.001 10 0 "[ . 1 . 2]" 1
229 1 10 VAL MG1 1 68 GLN H 1.800 . 5.000 4.171 3.313 4.766 . 0 0 "[ . 1 . 2]" 1
230 1 11 VAL HB 1 66 GLY H 1.800 . 5.000 2.345 1.882 2.692 . 0 0 "[ . 1 . 2]" 1
231 1 11 VAL HB 1 67 ASP H 1.800 . 5.000 3.117 2.628 3.747 . 0 0 "[ . 1 . 2]" 1
232 1 11 VAL MG2 1 64 THR H 1.800 . 5.000 3.718 3.165 4.148 . 0 0 "[ . 1 . 2]" 1
233 1 11 VAL MG1 1 66 GLY H 1.800 . 5.000 3.365 3.137 3.561 . 0 0 "[ . 1 . 2]" 1
234 1 11 VAL MG2 1 66 GLY H 1.800 . 5.000 3.919 3.524 4.191 . 0 0 "[ . 1 . 2]" 1
235 1 11 VAL MG1 1 67 ASP H 1.800 . 5.000 4.358 3.922 4.997 . 0 0 "[ . 1 . 2]" 1
236 1 11 VAL MG2 1 67 ASP H 1.800 . 5.000 3.789 3.463 4.260 . 0 0 "[ . 1 . 2]" 1
237 1 11 VAL MG2 1 69 GLY H 1.800 . 5.000 4.226 3.939 4.466 . 0 0 "[ . 1 . 2]" 1
238 1 13 ASN QB 1 41 SER H 1.800 . 5.000 4.494 3.472 5.058 0.058 8 0 "[ . 1 . 2]" 1
239 1 38 TYR QB 1 55 LEU H 1.800 . 5.000 4.102 3.569 4.620 . 0 0 "[ . 1 . 2]" 1
240 1 44 PRO QG 1 49 LEU H 1.800 . 5.000 3.690 2.708 4.608 . 0 0 "[ . 1 . 2]" 1
241 1 44 PRO QD 1 51 LYS H 1.800 . 5.000 3.213 2.761 3.496 . 0 0 "[ . 1 . 2]" 1
242 1 55 LEU QB 1 60 TYR H 1.800 . 5.000 3.262 2.888 3.593 . 0 0 "[ . 1 . 2]" 1
243 1 55 LEU MD1 1 60 TYR H 1.800 . 5.000 4.029 3.676 4.279 . 0 0 "[ . 1 . 2]" 1
244 1 55 LEU MD2 1 60 TYR H 1.800 . 5.000 4.633 3.626 5.004 0.004 7 0 "[ . 1 . 2]" 1
245 1 70 THR HB 1 82 VAL H 1.800 . 5.000 3.636 3.244 4.357 . 0 0 "[ . 1 . 2]" 1
246 1 72 SER QB 1 80 GLY H 1.800 . 5.000 2.930 2.343 4.142 . 0 0 "[ . 1 . 2]" 1
247 1 73 TYR QB 1 79 VAL H 1.800 . 5.000 3.113 2.682 3.653 . 0 0 "[ . 1 . 2]" 1
248 1 4 LEU H 1 74 LYS QG 1.800 . 5.000 4.305 3.188 5.039 0.039 6 0 "[ . 1 . 2]" 1
249 1 4 LEU H 1 74 LYS QE 1.800 . 5.000 3.711 2.847 4.748 . 0 0 "[ . 1 . 2]" 1
250 1 7 LYS H 1 9 VAL MG1 1.800 . 5.000 4.345 3.823 4.736 . 0 0 "[ . 1 . 2]" 1
251 1 7 LYS H 1 70 THR MG 1.800 . 5.000 3.364 2.780 3.865 . 0 0 "[ . 1 . 2]" 1
252 1 7 LYS H 1 71 LEU QB 1.800 . 5.000 3.210 2.897 3.489 . 0 0 "[ . 1 . 2]" 1
253 1 7 LYS H 1 71 LEU MD2 1.800 . 5.000 4.700 4.289 5.017 0.017 14 0 "[ . 1 . 2]" 1
254 1 8 GLN H 1 45 LEU MD1 1.800 . 5.000 4.151 3.339 4.985 . 0 0 "[ . 1 . 2]" 1
255 1 9 VAL H 1 45 LEU MD1 1.800 . 5.000 4.457 3.955 4.988 . 0 0 "[ . 1 . 2]" 1
256 1 9 VAL H 1 68 GLN QB 1.800 . 5.000 4.773 4.283 5.022 0.022 15 0 "[ . 1 . 2]" 1
257 1 10 VAL H 1 45 LEU MD1 1.800 . 5.000 4.902 4.337 5.049 0.049 8 0 "[ . 1 . 2]" 1
258 1 10 VAL H 1 45 LEU MD2 1.800 . 5.000 4.006 3.677 4.363 . 0 0 "[ . 1 . 2]" 1
259 1 13 ASN H 1 41 SER QB 1.800 . 5.000 2.556 2.072 4.081 . 0 0 "[ . 1 . 2]" 1
260 1 13 ASN H 1 65 VAL MG2 1.800 . 5.000 4.066 3.640 4.620 . 0 0 "[ . 1 . 2]" 1
261 1 14 LYS H 1 65 VAL MG1 1.800 . 5.000 4.318 3.687 5.011 0.011 6 0 "[ . 1 . 2]" 1
262 1 14 LYS H 1 65 VAL MG2 1.800 . 5.000 3.344 2.224 4.291 . 0 0 "[ . 1 . 2]" 1
263 1 15 ARG H 1 40 ALA MB 1.800 . 5.000 4.589 4.024 4.972 . 0 0 "[ . 1 . 2]" 1
264 1 17 LYS H 1 39 GLU QB 1.800 . 5.000 3.897 3.195 4.409 . 0 0 "[ . 1 . 2]" 1
265 1 17 LYS H 1 39 GLU QG 1.800 . 5.000 3.372 2.700 4.340 . 0 0 "[ . 1 . 2]" 1
266 1 17 LYS H 1 52 THR MG 1.800 . 5.000 4.857 3.902 5.071 0.071 5 0 "[ . 1 . 2]" 1
267 1 39 GLU H 1 55 LEU QB 1.800 . 5.000 5.028 4.860 5.082 0.082 8 0 "[ . 1 . 2]" 1
268 1 40 ALA H 1 52 THR MG 1.800 . 5.000 3.310 3.071 3.601 . 0 0 "[ . 1 . 2]" 1
269 1 40 ALA H 1 55 LEU HG 1.800 . 5.000 3.305 2.871 3.775 . 0 0 "[ . 1 . 2]" 1
270 1 40 ALA H 1 55 LEU MD1 1.800 . 5.000 3.443 3.126 3.851 . 0 0 "[ . 1 . 2]" 1
271 1 56 GLN H 1 59 GLN QB 1.800 . 5.000 2.184 1.769 2.611 0.031 6 0 "[ . 1 . 2]" 1
272 1 64 THR H 1 67 ASP QB 1.800 . 5.000 3.004 2.101 4.318 . 0 0 "[ . 1 . 2]" 1
273 1 65 VAL H 1 67 ASP QB 1.800 . 5.000 4.752 4.307 4.998 . 0 0 "[ . 1 . 2]" 1
274 1 69 GLY H 1 81 PHE QE 1.800 . 5.000 3.477 2.985 4.012 . 0 0 "[ . 1 . 2]" 1
275 1 70 THR H 1 82 VAL HB 1.800 . 5.000 3.823 3.067 4.433 . 0 0 "[ . 1 . 2]" 1
276 1 70 THR H 1 82 VAL QG 1.800 . 5.000 3.998 3.586 4.436 . 0 0 "[ . 1 . 2]" 1
277 1 74 LYS H 1 77 ARG QB 1.800 . 5.000 3.295 2.610 4.206 . 0 0 "[ . 1 . 2]" 1
278 1 74 LYS H 1 79 VAL MG2 1.800 . 5.000 2.380 1.796 2.801 0.004 19 0 "[ . 1 . 2]" 1
279 1 4 LEU HA 1 74 LYS QB 1.800 . 5.000 3.995 2.814 4.705 . 0 0 "[ . 1 . 2]" 1
280 1 4 LEU HA 1 74 LYS QG 1.800 . 5.000 2.567 1.912 3.223 . 0 0 "[ . 1 . 2]" 1
281 1 4 LEU HA 1 74 LYS QE 1.800 . 5.000 3.124 2.318 4.736 . 0 0 "[ . 1 . 2]" 1
282 1 4 LEU QB 1 72 SER HA 1.800 . 5.000 4.951 4.177 5.128 0.128 13 0 "[ . 1 . 2]" 1
283 1 4 LEU HG 1 72 SER HA 1.800 . 5.000 3.238 3.036 4.065 . 0 0 "[ . 1 . 2]" 1
284 1 4 LEU MD1 1 72 SER HA 1.800 . 5.000 3.376 2.919 4.007 . 0 0 "[ . 1 . 2]" 1
285 1 6 GLN QB 1 72 SER HA 1.800 . 5.000 4.002 3.773 4.525 . 0 0 "[ . 1 . 2]" 1
286 1 6 GLN QG 1 72 SER HA 1.800 . 5.000 2.345 1.784 2.933 0.016 14 0 "[ . 1 . 2]" 1
287 1 9 VAL HA 1 45 LEU HG 1.800 . 5.000 2.730 2.207 3.158 . 0 0 "[ . 1 . 2]" 1
288 1 9 VAL HA 1 45 LEU MD1 1.800 . 5.000 3.622 3.192 4.063 . 0 0 "[ . 1 . 2]" 1
289 1 9 VAL HA 1 45 LEU MD2 1.800 . 5.000 3.876 3.419 4.519 . 0 0 "[ . 1 . 2]" 1
290 1 9 VAL MG2 1 42 PHE HA 1.800 . 5.000 3.695 3.274 4.196 . 0 0 "[ . 1 . 2]" 1
291 1 10 VAL HA 1 68 GLN QB 1.800 . 5.000 3.892 3.537 4.379 . 0 0 "[ . 1 . 2]" 1
292 1 10 VAL HA 1 68 GLN QG 1.800 . 5.000 2.791 2.178 3.357 . 0 0 "[ . 1 . 2]" 1
293 1 10 VAL HB 1 42 PHE HA 1.800 . 5.000 4.984 4.839 5.045 0.045 7 0 "[ . 1 . 2]" 1
294 1 10 VAL MG1 1 12 SER HA 1.800 . 5.000 2.873 2.551 3.459 . 0 0 "[ . 1 . 2]" 1
295 1 10 VAL MG2 1 66 GLY QA 1.800 . 5.000 4.923 4.615 5.018 0.018 10 0 "[ . 1 . 2]" 1
296 1 10 VAL MG1 1 68 GLN HA 1.800 . 5.000 3.746 3.304 4.122 . 0 0 "[ . 1 . 2]" 1
297 1 11 VAL HA 1 65 VAL MG2 1.800 . 5.000 4.955 4.604 5.043 0.043 3 0 "[ . 1 . 2]" 1
298 1 11 VAL HB 1 66 GLY QA 1.800 . 5.000 4.157 3.842 4.391 . 0 0 "[ . 1 . 2]" 1
299 1 11 VAL MG2 1 42 PHE HA 1.800 . 5.000 3.960 3.518 4.220 . 0 0 "[ . 1 . 2]" 1
300 1 11 VAL MG1 1 65 VAL HA 1.800 . 5.000 2.298 2.094 2.452 . 0 0 "[ . 1 . 2]" 1
301 1 11 VAL MG2 1 65 VAL HA 1.800 . 5.000 3.773 3.435 3.972 . 0 0 "[ . 1 . 2]" 1
302 1 12 SER HA 1 65 VAL MG1 1.800 . 5.000 3.459 2.889 3.854 . 0 0 "[ . 1 . 2]" 1
303 1 12 SER HA 1 65 VAL MG2 1.800 . 5.000 4.987 4.329 5.055 0.055 7 0 "[ . 1 . 2]" 1
304 1 13 ASN HA 1 65 VAL MG2 1.800 . 5.000 2.810 1.885 3.712 . 0 0 "[ . 1 . 2]" 1
305 1 14 LYS QB 1 40 ALA HA 1.800 . 5.000 3.888 3.365 4.301 . 0 0 "[ . 1 . 2]" 1
306 1 16 GLU QB 1 38 TYR HA 1.800 . 5.000 4.166 3.312 5.031 0.031 16 0 "[ . 1 . 2]" 1
307 1 38 TYR QD 1 57 ALA HA 1.800 . 5.000 3.253 2.424 4.423 . 0 0 "[ . 1 . 2]" 1
308 1 38 TYR QE 1 57 ALA HA 1.800 . 5.000 3.845 2.078 4.943 . 0 0 "[ . 1 . 2]" 1
309 1 39 GLU HA 1 55 LEU HG 1.800 . 5.000 3.495 2.969 4.109 . 0 0 "[ . 1 . 2]" 1
310 1 39 GLU HA 1 55 LEU MD1 1.800 . 5.000 4.004 3.453 4.608 . 0 0 "[ . 1 . 2]" 1
311 1 39 GLU QB 1 54 ARG HA 1.800 . 5.000 3.125 2.628 3.885 . 0 0 "[ . 1 . 2]" 1
312 1 40 ALA MB 1 60 TYR HA 1.800 . 5.000 4.683 4.093 5.039 0.039 4 0 "[ . 1 . 2]" 1
313 1 41 SER HA 1 52 THR MG 1.800 . 5.000 3.173 2.803 3.542 . 0 0 "[ . 1 . 2]" 1
314 1 43 LYS QG 1 50 GLU HA 1.800 . 5.000 4.062 3.391 4.957 . 0 0 "[ . 1 . 2]" 1
315 1 44 PRO QG 1 48 GLY QA 1.800 . 5.000 2.601 1.901 3.901 . 0 0 "[ . 1 . 2]" 1
316 1 44 PRO QD 1 50 GLU HA 1.800 . 5.000 2.434 1.933 2.947 . 0 0 "[ . 1 . 2]" 1
317 1 55 LEU QB 1 60 TYR HA 1.800 . 5.000 3.601 2.903 4.154 . 0 0 "[ . 1 . 2]" 1
318 1 55 LEU MD2 1 59 GLN HA 1.800 . 5.000 4.597 3.899 5.016 0.016 9 0 "[ . 1 . 2]" 1
319 1 55 LEU MD1 1 60 TYR HA 1.800 . 5.000 2.840 2.080 3.435 . 0 0 "[ . 1 . 2]" 1
320 1 55 LEU MD2 1 60 TYR HA 1.800 . 5.000 4.580 2.928 5.020 0.020 17 0 "[ . 1 . 2]" 1
321 1 60 TYR HA 1 62 ALA MB 1.800 . 5.000 4.735 4.462 5.024 0.024 15 0 "[ . 1 . 2]" 1
322 1 63 LEU MD1 1 65 VAL HA 1.800 . 5.000 4.753 4.281 5.016 0.016 4 0 "[ . 1 . 2]" 1
323 1 69 GLY QA 1 81 PHE QE 1.800 . 5.000 3.392 3.011 3.803 . 0 0 "[ . 1 . 2]" 1
324 1 71 LEU MD1 1 78 PHE HA 1.800 . 5.000 4.148 3.625 4.530 . 0 0 "[ . 1 . 2]" 1
325 1 71 LEU MD1 1 81 PHE HA 1.800 . 5.000 2.478 2.143 2.897 . 0 0 "[ . 1 . 2]" 1
326 1 72 SER HA 1 79 VAL HB 1.800 . 5.000 4.509 4.159 4.729 . 0 0 "[ . 1 . 2]" 1
327 1 73 TYR QB 1 78 PHE HA 1.800 . 5.000 2.698 2.243 3.399 . 0 0 "[ . 1 . 2]" 1
328 1 73 TYR QD 1 76 THR HA 1.800 . 5.000 4.163 3.048 4.719 . 0 0 "[ . 1 . 2]" 1
329 1 81 PHE QE 1 83 SER HA 1.800 . 5.000 3.399 2.638 4.107 . 0 0 "[ . 1 . 2]" 1
330 1 82 VAL QG 1 84 ARG HA 1.800 . 5.000 3.847 2.728 4.574 . 0 0 "[ . 1 . 2]" 1
331 1 10 VAL MG2 1 68 GLN HA 1.800 . 5.000 3.496 3.054 4.062 . 0 0 "[ . 1 . 2]" 1
332 1 11 VAL HB 1 65 VAL HA 1.800 . 5.000 2.317 1.946 2.546 . 0 0 "[ . 1 . 2]" 1
333 1 3 PRO QB 1 74 LYS QG 1.800 . 5.000 4.166 1.853 5.009 0.009 2 0 "[ . 1 . 2]" 1
334 1 4 LEU QB 1 74 LYS QE 1.800 . 5.000 2.800 2.023 3.613 . 0 0 "[ . 1 . 2]" 1
335 1 4 LEU HG 1 6 GLN QB 1.800 . 5.000 4.563 4.263 4.999 . 0 0 "[ . 1 . 2]" 1
336 1 4 LEU HG 1 6 GLN QG 1.800 . 5.000 2.503 2.134 2.952 . 0 0 "[ . 1 . 2]" 1
337 1 4 LEU MD2 1 6 GLN QB 1.800 . 5.000 4.603 4.249 4.945 . 0 0 "[ . 1 . 2]" 1
338 1 4 LEU MD1 1 6 GLN QG 1.800 . 5.000 3.650 2.802 4.264 . 0 0 "[ . 1 . 2]" 1
339 1 4 LEU MD2 1 6 GLN QG 1.800 . 5.000 2.928 2.592 3.233 . 0 0 "[ . 1 . 2]" 1
340 1 4 LEU MD1 1 6 GLN QE 1.800 . 5.000 3.954 2.217 4.869 . 0 0 "[ . 1 . 2]" 1
341 1 4 LEU MD2 1 6 GLN QE 1.800 . 5.000 2.657 2.173 3.977 . 0 0 "[ . 1 . 2]" 1
342 1 4 LEU MD1 1 72 SER QB 1.800 . 5.000 2.294 1.779 3.559 0.021 8 0 "[ . 1 . 2]" 1
343 1 4 LEU MD2 1 72 SER QB 1.800 . 5.000 2.500 1.780 5.032 0.032 3 0 "[ . 1 . 2]" 1
344 1 4 LEU MD1 1 74 LYS QB 1.800 . 5.000 3.517 2.000 5.008 0.008 18 0 "[ . 1 . 2]" 1
345 1 4 LEU MD1 1 74 LYS QG 1.800 . 5.000 2.807 2.022 5.020 0.020 12 0 "[ . 1 . 2]" 1
346 1 4 LEU MD1 1 74 LYS QE 1.800 . 5.000 2.501 1.831 4.775 . 0 0 "[ . 1 . 2]" 1
347 1 4 LEU MD2 1 74 LYS QE 1.800 . 5.000 3.724 3.123 4.214 . 0 0 "[ . 1 . 2]" 1
348 1 5 GLN QB 1 73 TYR QE 1.800 . 5.000 3.051 2.608 3.628 . 0 0 "[ . 1 . 2]" 1
349 1 6 GLN QB 1 70 THR MG 1.800 . 5.000 2.298 1.889 3.151 . 0 0 "[ . 1 . 2]" 1
350 1 6 GLN QG 1 70 THR MG 1.800 . 5.000 3.300 2.813 4.704 . 0 0 "[ . 1 . 2]" 1
351 1 6 GLN QE 1 70 THR MG 1.800 . 5.000 3.690 2.954 5.019 0.019 14 0 "[ . 1 . 2]" 1
352 1 7 LYS QB 1 9 VAL MG1 1.800 . 5.000 2.960 2.177 4.026 . 0 0 "[ . 1 . 2]" 1
353 1 7 LYS QD 1 45 LEU MD1 1.800 . 5.000 4.832 3.624 5.058 0.058 3 0 "[ . 1 . 2]" 1
354 1 8 GLN QB 1 45 LEU MD1 1.800 . 5.000 2.510 1.854 3.439 . 0 0 "[ . 1 . 2]" 1
355 1 8 GLN QG 1 70 THR MG 1.800 . 5.000 3.281 2.557 4.833 . 0 0 "[ . 1 . 2]" 1
356 1 8 GLN QE 1 70 THR MG 1.800 . 5.000 4.089 3.068 5.010 0.010 12 0 "[ . 1 . 2]" 1
357 1 9 VAL HB 1 11 VAL MG2 1.800 . 5.000 5.006 4.741 5.046 0.046 4 0 "[ . 1 . 2]" 1
358 1 9 VAL HB 1 71 LEU MD2 1.800 . 5.000 4.030 3.689 4.555 . 0 0 "[ . 1 . 2]" 1
359 1 9 VAL MG2 1 11 VAL MG2 1.800 . 5.000 3.361 3.068 3.472 . 0 0 "[ . 1 . 2]" 1
360 1 9 VAL MG2 1 42 PHE HB2 1.800 . 5.000 3.560 3.136 4.353 . 0 0 "[ . 1 . 2]" 1
361 1 9 VAL MG2 1 42 PHE HB3 1.800 . 5.000 2.171 1.787 2.912 0.013 13 0 "[ . 1 . 2]" 1
362 1 9 VAL MG2 1 42 PHE QD 1.800 . 5.000 2.196 1.988 2.441 . 0 0 "[ . 1 . 2]" 1
363 1 9 VAL MG1 1 44 PRO QB 1.800 . 5.000 3.352 2.229 4.252 . 0 0 "[ . 1 . 2]" 1
364 1 9 VAL MG1 1 44 PRO QG 1.800 . 5.000 3.824 2.790 4.652 . 0 0 "[ . 1 . 2]" 1
365 1 9 VAL MG1 1 71 LEU QB 1.800 . 5.000 2.829 2.447 3.225 . 0 0 "[ . 1 . 2]" 1
366 1 9 VAL MG1 1 71 LEU HB3 1.800 . 5.000 3.024 2.577 3.462 . 0 0 "[ . 1 . 2]" 1
367 1 9 VAL MG2 1 71 LEU QB 1.800 . 5.000 2.023 1.874 2.297 . 0 0 "[ . 1 . 2]" 1
368 1 9 VAL MG2 1 71 LEU HG 1.800 . 5.000 4.221 3.947 4.579 . 0 0 "[ . 1 . 2]" 1
369 1 9 VAL MG1 1 71 LEU MD2 1.800 . 5.000 2.639 2.203 3.256 . 0 0 "[ . 1 . 2]" 1
370 1 9 VAL MG2 1 71 LEU MD1 1.800 . 5.000 3.202 2.836 3.587 . 0 0 "[ . 1 . 2]" 1
371 1 9 VAL MG2 1 71 LEU MD2 1.800 . 5.000 2.148 1.867 2.501 . 0 0 "[ . 1 . 2]" 1
372 1 9 VAL MG2 1 81 PHE QD 1.800 . 5.000 3.287 2.737 3.798 . 0 0 "[ . 1 . 2]" 1
373 1 9 VAL MG2 1 81 PHE QE 1.800 . 5.000 2.200 1.886 2.664 . 0 0 "[ . 1 . 2]" 1
374 1 10 VAL HB 1 45 LEU MD2 1.800 . 5.000 4.107 3.836 4.384 . 0 0 "[ . 1 . 2]" 1
375 1 10 VAL HB 1 68 GLN QG 1.800 . 5.000 4.325 3.962 4.830 . 0 0 "[ . 1 . 2]" 1
376 1 10 VAL MG1 1 12 SER QB 1.800 . 5.000 3.727 2.840 4.675 . 0 0 "[ . 1 . 2]" 1
377 1 10 VAL MG1 1 43 LYS QB 1.800 . 5.000 3.402 3.043 3.714 . 0 0 "[ . 1 . 2]" 1
378 1 10 VAL MG2 1 43 LYS QB 1.800 . 5.000 3.250 2.693 3.614 . 0 0 "[ . 1 . 2]" 1
379 1 10 VAL MG1 1 43 LYS QD 1.800 . 5.000 3.752 3.132 5.009 0.009 10 0 "[ . 1 . 2]" 1
380 1 10 VAL MG2 1 43 LYS QE 1.800 . 5.000 4.769 4.036 5.046 0.046 10 0 "[ . 1 . 2]" 1
381 1 10 VAL MG1 1 68 GLN QG 1.800 . 5.000 2.484 2.116 2.942 . 0 0 "[ . 1 . 2]" 1
382 1 10 VAL MG2 1 68 GLN QG 1.800 . 5.000 1.852 1.779 2.273 0.021 6 0 "[ . 1 . 2]" 1
383 1 10 VAL MG2 1 68 GLN QE 1.800 . 5.000 2.395 1.899 3.803 . 0 0 "[ . 1 . 2]" 1
384 1 11 VAL HB 1 63 LEU MD1 1.800 . 5.000 4.005 3.655 4.635 . 0 0 "[ . 1 . 2]" 1
385 1 11 VAL HB 1 67 ASP QB 1.800 . 5.000 3.994 3.356 4.884 . 0 0 "[ . 1 . 2]" 1
386 1 11 VAL MG1 1 40 ALA MB 1.800 . 5.000 2.456 1.934 2.772 . 0 0 "[ . 1 . 2]" 1
387 1 11 VAL MG2 1 42 PHE QE 1.800 . 5.000 2.222 1.993 2.772 . 0 0 "[ . 1 . 2]" 1
388 1 11 VAL MG1 1 63 LEU QB 1.800 . 5.000 3.471 2.690 4.134 . 0 0 "[ . 1 . 2]" 1
389 1 11 VAL MG1 1 63 LEU HG 1.800 . 5.000 3.753 2.253 5.012 0.012 2 0 "[ . 1 . 2]" 1
390 1 11 VAL MG1 1 63 LEU MD2 1.800 . 5.000 3.958 1.878 4.765 . 0 0 "[ . 1 . 2]" 1
391 1 11 VAL MG1 1 65 VAL HB 1.800 . 5.000 4.417 4.199 4.570 . 0 0 "[ . 1 . 2]" 1
392 1 11 VAL MG1 1 65 VAL MG2 1.800 . 5.000 2.249 1.826 2.417 . 0 0 "[ . 1 . 2]" 1
393 1 11 VAL MG2 1 67 ASP QB 1.800 . 5.000 3.364 2.629 4.348 . 0 0 "[ . 1 . 2]" 1
394 1 11 VAL MG2 1 81 PHE QD 1.800 . 5.000 3.882 3.416 4.582 . 0 0 "[ . 1 . 2]" 1
395 1 11 VAL MG1 1 81 PHE QE 1.800 . 5.000 4.880 4.423 5.020 0.020 15 0 "[ . 1 . 2]" 1
396 1 11 VAL MG2 1 81 PHE QE 1.800 . 5.000 2.949 2.508 3.197 . 0 0 "[ . 1 . 2]" 1
397 1 11 VAL MG2 1 81 PHE HZ 1.800 . 5.000 2.741 2.450 2.984 . 0 0 "[ . 1 . 2]" 1
398 1 12 SER QB 1 43 LYS QB 1.800 . 5.000 2.950 1.936 3.738 . 0 0 "[ . 1 . 2]" 1
399 1 12 SER QB 1 43 LYS QD 1.800 . 5.000 3.549 2.735 4.858 . 0 0 "[ . 1 . 2]" 1
400 1 13 ASN QB 1 41 SER QB 1.800 . 5.000 3.575 2.018 4.562 . 0 0 "[ . 1 . 2]" 1
401 1 13 ASN QB 1 65 VAL MG2 1.800 . 5.000 4.392 3.638 5.030 0.030 17 0 "[ . 1 . 2]" 1
402 1 13 ASN QD 1 15 ARG QD 1.800 . 5.000 4.251 3.006 5.066 0.066 10 0 "[ . 1 . 2]" 1
403 1 14 LYS QB 1 40 ALA MB 1.800 . 5.000 4.053 3.399 4.804 . 0 0 "[ . 1 . 2]" 1
404 1 14 LYS QB 1 65 VAL MG2 1.800 . 5.000 3.383 2.477 4.372 . 0 0 "[ . 1 . 2]" 1
405 1 14 LYS QG 1 65 VAL MG2 1.800 . 5.000 3.827 2.458 5.047 0.047 7 0 "[ . 1 . 2]" 1
406 1 14 LYS QD 1 38 TYR QB 1.800 . 5.000 3.523 1.863 4.719 . 0 0 "[ . 1 . 2]" 1
407 1 15 ARG QB 1 17 LYS QG 1.800 . 5.000 3.414 2.364 4.482 . 0 0 "[ . 1 . 2]" 1
408 1 15 ARG QD 1 17 LYS QG 1.800 . 5.000 4.106 3.032 5.026 0.026 4 0 "[ . 1 . 2]" 1
409 1 16 GLU QB 1 38 TYR QD 1.800 . 5.000 4.201 2.201 5.031 0.031 3 0 "[ . 1 . 2]" 1
410 1 16 GLU QG 1 38 TYR QD 1.800 . 5.000 3.857 2.051 5.039 0.039 9 0 "[ . 1 . 2]" 1
411 1 17 LYS QB 1 19 VAL MG2 1.800 . 5.000 3.788 2.243 5.025 0.025 20 0 "[ . 1 . 2]" 1
412 1 17 LYS QG 1 52 THR MG 1.800 . 5.000 3.637 2.691 4.118 . 0 0 "[ . 1 . 2]" 1
413 1 19 VAL MG1 1 21 ASP QB 1.800 . 5.000 3.208 1.813 5.024 0.024 15 0 "[ . 1 . 2]" 1
414 1 29 VAL MG1 1 31 PRO QG 1.800 . 5.000 4.238 2.411 5.066 0.066 13 0 "[ . 1 . 2]" 1
415 1 34 THR MG 1 36 MET QG 1.800 . 5.000 3.880 1.889 5.032 0.032 9 0 "[ . 1 . 2]" 1
416 1 36 MET QB 1 38 TYR QE 1.800 . 5.000 3.559 2.654 5.001 0.001 16 0 "[ . 1 . 2]" 1
417 1 36 MET ME 1 38 TYR QE 1.800 . 5.000 3.461 2.019 5.027 0.027 1 0 "[ . 1 . 2]" 1
418 1 37 ARG QG 1 54 ARG QD 1.800 . 5.000 4.122 2.423 4.966 . 0 0 "[ . 1 . 2]" 1
419 1 38 TYR QB 1 55 LEU QB 1.800 . 5.000 3.347 3.033 3.949 . 0 0 "[ . 1 . 2]" 1
420 1 38 TYR QB 1 60 TYR QB 1.800 . 5.000 3.033 2.230 3.973 . 0 0 "[ . 1 . 2]" 1
421 1 38 TYR QD 1 57 ALA MB 1.800 . 5.000 3.791 2.859 5.007 0.007 18 0 "[ . 1 . 2]" 1
422 1 38 TYR QE 1 57 ALA MB 1.800 . 5.000 3.259 1.805 4.621 . 0 0 "[ . 1 . 2]" 1
423 1 39 GLU QB 1 52 THR MG 1.800 . 5.000 1.884 1.753 2.520 0.047 13 0 "[ . 1 . 2]" 1
424 1 40 ALA MB 1 42 PHE HZ 1.800 . 5.000 3.001 2.566 3.625 . 0 0 "[ . 1 . 2]" 1
425 1 40 ALA MB 1 55 LEU HG 1.800 . 5.000 3.280 2.775 3.653 . 0 0 "[ . 1 . 2]" 1
426 1 40 ALA MB 1 55 LEU MD1 1.800 . 5.000 2.023 1.820 2.383 . 0 0 "[ . 1 . 2]" 1
427 1 40 ALA MB 1 55 LEU MD2 1.800 . 5.000 3.857 3.309 4.247 . 0 0 "[ . 1 . 2]" 1
428 1 40 ALA MB 1 63 LEU MD1 1.800 . 5.000 3.043 2.209 4.333 . 0 0 "[ . 1 . 2]" 1
429 1 41 SER QB 1 52 THR MG 1.800 . 5.000 3.712 2.791 4.434 . 0 0 "[ . 1 . 2]" 1
430 1 42 PHE QB 1 51 LYS QB 1.800 . 5.000 2.637 2.168 3.066 . 0 0 "[ . 1 . 2]" 1
431 1 42 PHE QB 1 71 LEU MD2 1.800 . 5.000 2.596 2.291 3.017 . 0 0 "[ . 1 . 2]" 1
432 1 42 PHE QD 1 53 PHE QD 1.800 . 5.000 1.961 1.794 2.307 0.006 10 0 "[ . 1 . 2]" 1
433 1 42 PHE QD 1 53 PHE QE 1.800 . 5.000 3.271 2.797 3.710 . 0 0 "[ . 1 . 2]" 1
434 1 42 PHE QD 1 71 LEU QB 1.800 . 5.000 4.040 3.555 4.473 . 0 0 "[ . 1 . 2]" 1
435 1 42 PHE QD 1 71 LEU MD1 1.800 . 5.000 3.603 3.096 4.191 . 0 0 "[ . 1 . 2]" 1
436 1 42 PHE QD 1 71 LEU MD2 1.800 . 5.000 3.118 2.705 3.610 . 0 0 "[ . 1 . 2]" 1
437 1 42 PHE QE 1 53 PHE QB 1.800 . 5.000 2.149 1.795 2.595 0.005 6 0 "[ . 1 . 2]" 1
438 1 42 PHE QE 1 53 PHE QD 1.800 . 5.000 2.365 1.823 3.057 . 0 0 "[ . 1 . 2]" 1
439 1 42 PHE QE 1 63 LEU MD1 1.800 . 5.000 2.681 2.080 3.996 . 0 0 "[ . 1 . 2]" 1
440 1 42 PHE QE 1 63 LEU MD2 1.800 . 5.000 3.834 2.597 4.913 . 0 0 "[ . 1 . 2]" 1
441 1 42 PHE HZ 1 55 LEU MD1 1.800 . 5.000 2.752 2.122 4.030 . 0 0 "[ . 1 . 2]" 1
442 1 42 PHE HZ 1 63 LEU MD1 1.800 . 5.000 2.893 2.103 4.115 . 0 0 "[ . 1 . 2]" 1
443 1 43 LYS QG 1 45 LEU MD2 1.800 . 5.000 4.365 3.127 5.018 0.018 20 0 "[ . 1 . 2]" 1
444 1 43 LYS QG 1 50 GLU QG 1.800 . 5.000 2.562 1.820 3.713 . 0 0 "[ . 1 . 2]" 1
445 1 43 LYS QE 1 50 GLU QG 1.800 . 5.000 3.874 3.230 4.933 . 0 0 "[ . 1 . 2]" 1
446 1 45 LEU MD1 1 68 GLN QB 1.800 . 5.000 3.586 2.561 4.457 . 0 0 "[ . 1 . 2]" 1
447 1 45 LEU MD2 1 68 GLN QB 1.800 . 5.000 3.887 2.771 5.017 0.017 14 0 "[ . 1 . 2]" 1
448 1 45 LEU MD1 1 68 GLN QG 1.800 . 5.000 4.381 3.677 5.012 0.012 11 0 "[ . 1 . 2]" 1
449 1 45 LEU MD2 1 68 GLN QG 1.800 . 5.000 3.630 2.357 4.496 . 0 0 "[ . 1 . 2]" 1
450 1 45 LEU MD1 1 68 GLN QE 1.800 . 5.000 4.287 3.300 5.009 0.009 11 0 "[ . 1 . 2]" 1
451 1 45 LEU MD2 1 68 GLN QE 1.800 . 5.000 3.212 2.583 4.670 . 0 0 "[ . 1 . 2]" 1
452 1 51 LYS QB 1 53 PHE QE 1.800 . 5.000 2.414 2.063 2.843 . 0 0 "[ . 1 . 2]" 1
453 1 51 LYS QB 1 53 PHE HZ 1.800 . 5.000 3.103 2.636 3.502 . 0 0 "[ . 1 . 2]" 1
454 1 51 LYS QB 1 71 LEU MD2 1.800 . 5.000 3.766 3.145 4.260 . 0 0 "[ . 1 . 2]" 1
455 1 51 LYS QG 1 53 PHE QE 1.800 . 5.000 3.996 3.145 4.643 . 0 0 "[ . 1 . 2]" 1
456 1 51 LYS QD 1 53 PHE QE 1.800 . 5.000 2.994 2.332 4.438 . 0 0 "[ . 1 . 2]" 1
457 1 51 LYS QD 1 53 PHE HZ 1.800 . 5.000 2.757 1.942 4.999 . 0 0 "[ . 1 . 2]" 1
458 1 51 LYS QD 1 71 LEU MD2 1.800 . 5.000 3.711 2.752 5.023 0.023 7 0 "[ . 1 . 2]" 1
459 1 51 LYS QE 1 73 TYR QD 1.800 . 5.000 4.664 3.610 5.046 0.046 1 0 "[ . 1 . 2]" 1
460 1 51 LYS QE 1 73 TYR QE 1.800 . 5.000 3.758 2.186 4.485 . 0 0 "[ . 1 . 2]" 1
461 1 53 PHE QB 1 55 LEU MD1 1.800 . 5.000 4.069 3.567 4.661 . 0 0 "[ . 1 . 2]" 1
462 1 53 PHE QB 1 55 LEU MD2 1.800 . 5.000 3.395 2.728 3.799 . 0 0 "[ . 1 . 2]" 1
463 1 53 PHE QB 1 78 PHE QB 1.800 . 5.000 2.893 2.334 3.882 . 0 0 "[ . 1 . 2]" 1
464 1 53 PHE QB 1 78 PHE QD 1.800 . 5.000 3.305 2.736 4.005 . 0 0 "[ . 1 . 2]" 1
465 1 53 PHE QD 1 71 LEU MD1 1.800 . 5.000 3.993 3.456 4.491 . 0 0 "[ . 1 . 2]" 1
466 1 53 PHE QD 1 78 PHE QB 1.800 . 5.000 2.817 2.188 3.601 . 0 0 "[ . 1 . 2]" 1
467 1 53 PHE QE 1 71 LEU MD2 1.800 . 5.000 2.580 2.185 3.007 . 0 0 "[ . 1 . 2]" 1
468 1 53 PHE HZ 1 71 LEU MD2 1.800 . 5.000 4.104 3.130 4.821 . 0 0 "[ . 1 . 2]" 1
469 1 53 PHE HZ 1 73 TYR QB 1.800 . 5.000 3.949 3.371 4.977 . 0 0 "[ . 1 . 2]" 1
470 1 55 LEU QB 1 59 GLN QB 1.800 . 5.000 2.292 1.935 3.047 . 0 0 "[ . 1 . 2]" 1
471 1 55 LEU QB 1 60 TYR QB 1.800 . 5.000 2.902 1.869 3.327 . 0 0 "[ . 1 . 2]" 1
472 1 55 LEU HG 1 59 GLN QB 1.800 . 5.000 4.563 4.218 5.015 0.015 6 0 "[ . 1 . 2]" 1
473 1 55 LEU MD1 1 59 GLN QB 1.800 . 5.000 3.138 2.501 4.051 . 0 0 "[ . 1 . 2]" 1
474 1 55 LEU MD2 1 59 GLN QB 1.800 . 5.000 2.340 2.026 3.183 . 0 0 "[ . 1 . 2]" 1
475 1 55 LEU MD1 1 60 TYR QB 1.800 . 5.000 3.376 2.709 3.735 . 0 0 "[ . 1 . 2]" 1
476 1 55 LEU MD1 1 63 LEU HG 1.800 . 5.000 3.242 1.786 4.646 0.014 16 0 "[ . 1 . 2]" 1
477 1 55 LEU MD2 1 63 LEU MD1 1.800 . 5.000 4.254 3.322 4.928 . 0 0 "[ . 1 . 2]" 1
478 1 55 LEU MD2 1 63 LEU MD2 1.800 . 5.000 3.323 2.021 4.327 . 0 0 "[ . 1 . 2]" 1
479 1 55 LEU MD2 1 78 PHE QD 1.800 . 5.000 3.725 3.124 4.981 . 0 0 "[ . 1 . 2]" 1
480 1 55 LEU MD2 1 78 PHE QE 1.800 . 5.000 2.986 2.268 4.107 . 0 0 "[ . 1 . 2]" 1
481 1 55 LEU MD2 1 78 PHE HZ 1.800 . 5.000 3.205 2.255 4.283 . 0 0 "[ . 1 . 2]" 1
482 1 55 LEU MD2 1 81 PHE QB 1.800 . 5.000 4.455 3.492 5.023 0.023 12 0 "[ . 1 . 2]" 1
483 1 56 GLN QB 1 59 GLN QB 1.800 . 5.000 3.107 2.367 3.606 . 0 0 "[ . 1 . 2]" 1
484 1 56 GLN QB 1 59 GLN QG 1.800 . 5.000 2.526 1.780 4.313 0.020 8 0 "[ . 1 . 2]" 1
485 1 63 LEU MD1 1 65 VAL MG2 1.800 . 5.000 4.478 3.883 5.019 0.019 5 0 "[ . 1 . 2]" 1
486 1 63 LEU MD1 1 78 PHE HZ 1.800 . 5.000 4.688 3.481 5.045 0.045 2 0 "[ . 1 . 2]" 1
487 1 63 LEU MD1 1 81 PHE QB 1.800 . 5.000 3.382 2.381 4.584 . 0 0 "[ . 1 . 2]" 1
488 1 63 LEU MD2 1 81 PHE QB 1.800 . 5.000 3.217 1.944 5.006 0.006 7 0 "[ . 1 . 2]" 1
489 1 63 LEU MD1 1 81 PHE QD 1.800 . 5.000 3.188 2.010 4.903 . 0 0 "[ . 1 . 2]" 1
490 1 63 LEU MD2 1 81 PHE QD 1.800 . 5.000 3.458 2.651 4.844 . 0 0 "[ . 1 . 2]" 1
491 1 63 LEU MD2 1 81 PHE QE 1.800 . 5.000 4.495 3.799 5.043 0.043 7 0 "[ . 1 . 2]" 1
492 1 64 THR HB 1 67 ASP QB 1.800 . 5.000 2.058 1.757 2.980 0.043 17 0 "[ . 1 . 2]" 1
493 1 67 ASP QB 1 81 PHE QE 1.800 . 5.000 3.725 2.556 4.591 . 0 0 "[ . 1 . 2]" 1
494 1 67 ASP QB 1 81 PHE HZ 1.800 . 5.000 4.051 2.975 5.016 0.016 6 0 "[ . 1 . 2]" 1
495 1 67 ASP QB 1 83 SER QB 1.800 . 5.000 4.184 2.979 5.007 0.007 4 0 "[ . 1 . 2]" 1
496 1 70 THR HB 1 82 VAL HB 1.800 . 5.000 2.426 1.788 3.427 0.012 1 0 "[ . 1 . 2]" 1
497 1 70 THR HB 1 82 VAL QG 1.800 . 5.000 3.248 2.722 3.979 . 0 0 "[ . 1 . 2]" 1
498 1 71 LEU QB 1 73 TYR QD 1.800 . 5.000 3.194 2.796 3.861 . 0 0 "[ . 1 . 2]" 1
499 1 71 LEU QB 1 73 TYR QE 1.800 . 5.000 3.290 2.697 4.202 . 0 0 "[ . 1 . 2]" 1
500 1 71 LEU QB 1 81 PHE QD 1.800 . 5.000 2.527 1.836 3.338 . 0 0 "[ . 1 . 2]" 1
501 1 71 LEU QB 1 81 PHE QE 1.800 . 5.000 3.020 2.528 3.617 . 0 0 "[ . 1 . 2]" 1
502 1 71 LEU HG 1 73 TYR QB 1.800 . 5.000 2.999 2.684 3.329 . 0 0 "[ . 1 . 2]" 1
503 1 71 LEU HG 1 73 TYR QD 1.800 . 5.000 1.975 1.790 2.509 0.010 19 0 "[ . 1 . 2]" 1
504 1 71 LEU MD2 1 73 TYR QB 1.800 . 5.000 3.374 2.999 3.810 . 0 0 "[ . 1 . 2]" 1
505 1 71 LEU MD2 1 73 TYR QD 1.800 . 5.000 2.775 2.440 3.001 . 0 0 "[ . 1 . 2]" 1
506 1 71 LEU MD2 1 73 TYR QE 1.800 . 5.000 3.076 2.530 3.633 . 0 0 "[ . 1 . 2]" 1
507 1 71 LEU MD1 1 78 PHE QD 1.800 . 5.000 2.486 1.941 2.875 . 0 0 "[ . 1 . 2]" 1
508 1 71 LEU MD1 1 78 PHE QE 1.800 . 5.000 2.017 1.793 2.339 0.007 15 0 "[ . 1 . 2]" 1
509 1 71 LEU MD1 1 81 PHE QB 1.800 . 5.000 2.516 2.020 3.080 . 0 0 "[ . 1 . 2]" 1
510 1 71 LEU MD1 1 81 PHE QD 1.800 . 5.000 1.926 1.794 2.167 0.006 5 0 "[ . 1 . 2]" 1
511 1 72 SER QB 1 79 VAL HB 1.800 . 5.000 2.808 2.478 3.098 . 0 0 "[ . 1 . 2]" 1
512 1 72 SER QB 1 79 VAL MG1 1.800 . 5.000 3.224 2.821 3.553 . 0 0 "[ . 1 . 2]" 1
513 1 72 SER QB 1 79 VAL MG2 1.800 . 5.000 3.871 3.491 4.247 . 0 0 "[ . 1 . 2]" 1
514 1 73 TYR QB 1 79 VAL MG2 1.800 . 5.000 3.565 3.267 3.820 . 0 0 "[ . 1 . 2]" 1
515 1 74 LYS QB 1 77 ARG QB 1.800 . 5.000 3.066 2.189 4.409 . 0 0 "[ . 1 . 2]" 1
516 1 74 LYS QB 1 79 VAL MG2 1.800 . 5.000 2.816 2.041 3.296 . 0 0 "[ . 1 . 2]" 1
517 1 74 LYS QE 1 79 VAL MG2 1.800 . 5.000 3.150 2.399 5.017 0.017 5 0 "[ . 1 . 2]" 1
518 1 77 ARG QB 1 79 VAL MG2 1.800 . 5.000 3.584 3.178 3.962 . 0 0 "[ . 1 . 2]" 1
519 1 77 ARG QG 1 79 VAL MG2 1.800 . 5.000 3.698 2.268 5.040 0.040 20 0 "[ . 1 . 2]" 1
520 1 77 ARG QD 1 79 VAL MG2 1.800 . 5.000 3.863 2.430 4.579 . 0 0 "[ . 1 . 2]" 1
521 1 78 PHE QE 1 81 PHE QB 1.800 . 5.000 2.572 1.844 3.255 . 0 0 "[ . 1 . 2]" 1
522 1 78 PHE HZ 1 81 PHE QB 1.800 . 5.000 2.471 1.899 3.067 . 0 0 "[ . 1 . 2]" 1
523 1 81 PHE QE 1 83 SER QB 1.800 . 5.000 2.982 1.813 4.008 . 0 0 "[ . 1 . 2]" 1
524 1 11 VAL MG2 1 42 PHE QD 1.800 . 5.000 2.566 2.189 2.882 . 0 0 "[ . 1 . 2]" 1
525 1 11 VAL MG2 1 63 LEU MD2 1.800 . 5.000 3.930 2.544 4.498 . 0 0 "[ . 1 . 2]" 1
526 1 11 VAL MG1 1 63 LEU MD1 1.800 . 5.000 2.389 1.965 3.038 . 0 0 "[ . 1 . 2]" 1
527 1 10 VAL MG1 1 43 LYS QG 1.800 . 5.000 4.755 3.764 5.013 0.013 1 0 "[ . 1 . 2]" 1
528 1 4 LEU H 1 4 LEU HG 1.800 . 5.000 4.331 3.568 4.576 . 0 0 "[ . 1 . 2]" 1
529 1 4 LEU H 1 4 LEU MD1 1.800 . 5.000 4.069 3.838 4.216 . 0 0 "[ . 1 . 2]" 1
530 1 4 LEU H 1 4 LEU MD2 1.800 . 5.000 3.810 1.783 4.420 0.017 12 0 "[ . 1 . 2]" 1
531 1 4 LEU HA 1 4 LEU MD1 1.800 . 5.000 2.423 1.899 4.111 . 0 0 "[ . 1 . 2]" 1
532 1 4 LEU HA 1 4 LEU MD2 1.800 . 5.000 3.794 3.557 3.894 . 0 0 "[ . 1 . 2]" 1
533 1 4 LEU QB 1 4 LEU MD1 1.800 . 5.000 2.257 2.077 2.349 . 0 0 "[ . 1 . 2]" 1
534 1 4 LEU QB 1 4 LEU MD2 1.800 . 5.000 2.124 2.037 2.339 . 0 0 "[ . 1 . 2]" 1
535 1 5 GLN H 1 5 GLN QG 1.800 . 5.000 2.795 2.212 4.067 . 0 0 "[ . 1 . 2]" 1
536 1 6 GLN H 1 6 GLN QG 1.800 . 5.000 2.873 2.522 3.117 . 0 0 "[ . 1 . 2]" 1
537 1 7 LYS HA 1 7 LYS QD 1.800 . 5.000 3.538 2.062 4.465 . 0 0 "[ . 1 . 2]" 1
538 1 7 LYS HA 1 7 LYS QE 1.800 . 5.000 4.433 3.142 4.954 . 0 0 "[ . 1 . 2]" 1
539 1 7 LYS QB 1 7 LYS QE 1.800 . 5.000 3.179 1.830 3.747 . 0 0 "[ . 1 . 2]" 1
540 1 8 GLN H 1 8 GLN QG 1.800 . 5.000 2.681 2.230 3.997 . 0 0 "[ . 1 . 2]" 1
541 1 9 VAL H 1 9 VAL MG1 1.800 . 5.000 3.007 2.814 3.135 . 0 0 "[ . 1 . 2]" 1
542 1 9 VAL H 1 9 VAL MG2 1.800 . 5.000 2.121 1.951 2.235 . 0 0 "[ . 1 . 2]" 1
543 1 10 VAL H 1 10 VAL MG1 1.800 . 5.000 3.842 3.818 3.877 . 0 0 "[ . 1 . 2]" 1
544 1 10 VAL H 1 10 VAL MG2 1.800 . 5.000 2.419 2.175 2.662 . 0 0 "[ . 1 . 2]" 1
545 1 11 VAL H 1 11 VAL MG1 1.800 . 5.000 3.787 3.771 3.808 . 0 0 "[ . 1 . 2]" 1
546 1 11 VAL H 1 11 VAL MG2 1.800 . 4.300 2.040 1.889 2.223 . 0 0 "[ . 1 . 2]" 1
547 1 14 LYS H 1 14 LYS QG 1.800 . 5.000 2.556 1.874 4.141 . 0 0 "[ . 1 . 2]" 1
548 1 14 LYS HA 1 14 LYS QD 1.800 . 5.000 4.203 3.257 4.547 . 0 0 "[ . 1 . 2]" 1
549 1 14 LYS QB 1 14 LYS QD 1.800 . 5.000 2.209 2.101 2.677 . 0 0 "[ . 1 . 2]" 1
550 1 14 LYS QB 1 14 LYS QE 1.800 . 5.000 3.133 1.802 3.665 . 0 0 "[ . 1 . 2]" 1
551 1 15 ARG H 1 15 ARG QG 1.800 . 5.000 3.311 2.480 4.240 . 0 0 "[ . 1 . 2]" 1
552 1 16 GLU H 1 16 GLU QG 1.800 . 5.000 3.681 2.390 4.170 . 0 0 "[ . 1 . 2]" 1
553 1 17 LYS H 1 17 LYS QG 1.800 . 5.000 2.774 2.417 4.000 . 0 0 "[ . 1 . 2]" 1
554 1 17 LYS QB 1 17 LYS QE 1.800 . 5.000 3.230 1.798 3.837 0.002 16 0 "[ . 1 . 2]" 1
555 1 19 VAL H 1 19 VAL HB 1.800 . 3.500 2.617 2.545 2.758 . 0 0 "[ . 1 . 2]" 1
556 1 19 VAL H 1 19 VAL MG1 1.800 . 5.000 3.801 3.760 3.905 . 0 0 "[ . 1 . 2]" 1
557 1 19 VAL H 1 19 VAL MG2 1.800 . 5.000 2.159 1.883 2.676 . 0 0 "[ . 1 . 2]" 1
558 1 29 VAL H 1 29 VAL MG1 1.800 . 5.000 3.739 1.946 4.092 . 0 0 "[ . 1 . 2]" 1
559 1 29 VAL H 1 29 VAL MG2 1.800 . 5.000 2.264 1.898 3.803 . 0 0 "[ . 1 . 2]" 1
560 1 34 THR H 1 34 THR MG 1.800 . 5.000 3.279 1.945 4.008 . 0 0 "[ . 1 . 2]" 1
561 1 36 MET H 1 36 MET QG 1.800 . 5.000 2.525 2.103 3.031 . 0 0 "[ . 1 . 2]" 1
562 1 36 MET H 1 36 MET ME 1.800 . 5.000 4.320 3.208 5.010 0.010 4 0 "[ . 1 . 2]" 1
563 1 36 MET QB 1 36 MET ME 1.800 . 5.000 1.970 1.889 2.070 . 0 0 "[ . 1 . 2]" 1
564 1 36 MET ME 1 36 MET QG 1.800 . 5.000 2.447 2.396 2.524 . 0 0 "[ . 1 . 2]" 1
565 1 37 ARG H 1 37 ARG QG 1.800 . 5.000 2.799 1.784 4.091 0.016 3 0 "[ . 1 . 2]" 1
566 1 37 ARG HA 1 37 ARG QD 1.800 . 5.000 3.679 1.931 4.373 . 0 0 "[ . 1 . 2]" 1
567 1 38 TYR H 1 38 TYR QD 1.800 . 5.000 2.803 2.032 3.683 . 0 0 "[ . 1 . 2]" 1
568 1 38 TYR HA 1 38 TYR QD 1.800 . 5.000 2.622 1.838 3.033 . 0 0 "[ . 1 . 2]" 1
569 1 39 GLU H 1 39 GLU QG 1.800 . 5.000 2.694 2.328 3.111 . 0 0 "[ . 1 . 2]" 1
570 1 42 PHE H 1 42 PHE QD 1.800 . 5.000 2.686 2.556 2.890 . 0 0 "[ . 1 . 2]" 1
571 1 42 PHE HA 1 42 PHE QD 1.800 . 5.000 2.821 2.622 2.984 . 0 0 "[ . 1 . 2]" 1
572 1 43 LYS H 1 43 LYS QG 1.800 . 5.000 3.999 3.951 4.022 . 0 0 "[ . 1 . 2]" 1
573 1 43 LYS QB 1 43 LYS QD 1.800 . 5.000 2.131 2.087 2.278 . 0 0 "[ . 1 . 2]" 1
574 1 45 LEU H 1 45 LEU HG 1.800 . 5.000 2.367 2.138 2.780 . 0 0 "[ . 1 . 2]" 1
575 1 45 LEU H 1 45 LEU MD1 1.800 . 5.000 3.554 3.343 3.762 . 0 0 "[ . 1 . 2]" 1
576 1 45 LEU H 1 45 LEU MD2 1.800 . 5.000 3.482 3.311 3.767 . 0 0 "[ . 1 . 2]" 1
577 1 45 LEU HA 1 45 LEU MD1 1.800 . 5.000 3.863 3.823 3.912 . 0 0 "[ . 1 . 2]" 1
578 1 45 LEU HA 1 45 LEU MD2 1.800 . 5.000 2.031 1.924 2.147 . 0 0 "[ . 1 . 2]" 1
579 1 45 LEU QB 1 45 LEU MD1 1.800 . 5.000 2.093 2.078 2.108 . 0 0 "[ . 1 . 2]" 1
580 1 45 LEU QB 1 45 LEU MD2 1.800 . 5.000 2.272 2.208 2.340 . 0 0 "[ . 1 . 2]" 1
581 1 49 LEU H 1 49 LEU QB 1.800 . 3.500 2.436 2.200 3.361 . 0 0 "[ . 1 . 2]" 1
582 1 49 LEU H 1 49 LEU HG 1.800 . 5.000 3.529 2.351 4.901 . 0 0 "[ . 1 . 2]" 1
583 1 49 LEU H 1 49 LEU MD1 1.800 . 5.000 3.867 1.803 4.455 . 0 0 "[ . 1 . 2]" 1
584 1 49 LEU H 1 49 LEU MD2 1.800 . 5.000 3.893 3.129 4.970 . 0 0 "[ . 1 . 2]" 1
585 1 49 LEU HA 1 49 LEU MD1 1.800 . 5.000 3.001 1.986 3.873 . 0 0 "[ . 1 . 2]" 1
586 1 49 LEU HA 1 49 LEU MD2 1.800 . 5.000 2.927 1.868 3.910 . 0 0 "[ . 1 . 2]" 1
587 1 49 LEU QB 1 49 LEU MD1 1.800 . 5.000 2.192 2.090 2.311 . 0 0 "[ . 1 . 2]" 1
588 1 50 GLU H 1 50 GLU QG 1.800 . 5.000 2.265 1.926 3.343 . 0 0 "[ . 1 . 2]" 1
589 1 51 LYS H 1 51 LYS QG 1.800 . 5.000 2.759 2.302 3.512 . 0 0 "[ . 1 . 2]" 1
590 1 51 LYS H 1 51 LYS QD 1.800 . 5.000 3.897 2.028 4.551 . 0 0 "[ . 1 . 2]" 1
591 1 51 LYS HA 1 51 LYS QD 1.800 . 5.000 3.893 2.974 4.066 . 0 0 "[ . 1 . 2]" 1
592 1 51 LYS QB 1 51 LYS QE 1.800 . 5.000 3.464 1.989 3.711 . 0 0 "[ . 1 . 2]" 1
593 1 52 THR H 1 52 THR HB 1.800 . 3.500 2.647 2.544 2.933 . 0 0 "[ . 1 . 2]" 1
594 1 52 THR H 1 52 THR MG 1.800 . 5.000 3.823 3.771 3.902 . 0 0 "[ . 1 . 2]" 1
595 1 53 PHE H 1 53 PHE QD 1.800 . 5.000 3.147 2.946 3.443 . 0 0 "[ . 1 . 2]" 1
596 1 53 PHE HA 1 53 PHE QD 1.800 . 5.000 2.583 2.357 2.899 . 0 0 "[ . 1 . 2]" 1
597 1 54 ARG H 1 54 ARG QG 1.800 . 5.000 2.947 1.760 4.015 0.040 6 0 "[ . 1 . 2]" 1
598 1 54 ARG H 1 54 ARG QD 1.800 . 5.000 4.258 2.815 4.812 . 0 0 "[ . 1 . 2]" 1
599 1 54 ARG HA 1 54 ARG QD 1.800 . 5.000 3.954 2.190 4.452 . 0 0 "[ . 1 . 2]" 1
600 1 55 LEU H 1 55 LEU HG 1.800 . 5.000 3.149 2.884 3.456 . 0 0 "[ . 1 . 2]" 1
601 1 55 LEU H 1 55 LEU MD1 1.800 . 5.000 4.123 3.962 4.346 . 0 0 "[ . 1 . 2]" 1
602 1 55 LEU H 1 55 LEU MD2 1.800 . 5.000 3.869 3.599 4.014 . 0 0 "[ . 1 . 2]" 1
603 1 55 LEU QB 1 55 LEU MD1 1.800 . 5.000 2.090 2.072 2.096 . 0 0 "[ . 1 . 2]" 1
604 1 55 LEU QB 1 55 LEU MD2 1.800 . 5.000 2.312 2.279 2.377 . 0 0 "[ . 1 . 2]" 1
605 1 56 GLN H 1 56 GLN QG 1.800 . 5.000 2.828 2.063 4.018 . 0 0 "[ . 1 . 2]" 1
606 1 58 GLN H 1 58 GLN QG 1.800 . 5.000 2.767 2.016 4.054 . 0 0 "[ . 1 . 2]" 1
607 1 59 GLN H 1 59 GLN QG 1.800 . 5.000 2.411 2.052 4.049 . 0 0 "[ . 1 . 2]" 1
608 1 59 GLN QB 1 59 GLN QE 1.800 . 5.000 3.333 1.796 3.739 0.004 3 0 "[ . 1 . 2]" 1
609 1 63 LEU H 1 63 LEU HG 1.800 . 5.000 3.482 1.789 4.528 0.011 11 0 "[ . 1 . 2]" 1
610 1 63 LEU H 1 63 LEU MD1 1.800 . 5.000 3.956 2.694 4.286 . 0 0 "[ . 1 . 2]" 1
611 1 63 LEU H 1 63 LEU MD2 1.800 . 5.000 2.875 1.766 4.385 0.034 19 0 "[ . 1 . 2]" 1
612 1 63 LEU HA 1 63 LEU MD2 1.800 . 5.000 3.268 2.129 4.043 . 0 0 "[ . 1 . 2]" 1
613 1 63 LEU QB 1 63 LEU MD1 1.800 . 5.000 2.197 2.063 2.302 . 0 0 "[ . 1 . 2]" 1
614 1 63 LEU QB 1 63 LEU MD2 1.800 . 5.000 2.208 2.071 2.373 . 0 0 "[ . 1 . 2]" 1
615 1 64 THR H 1 64 THR HB 1.800 . 3.500 2.707 2.541 2.966 . 0 0 "[ . 1 . 2]" 1
616 1 64 THR H 1 64 THR MG 1.800 . 5.000 3.869 3.780 3.916 . 0 0 "[ . 1 . 2]" 1
617 1 65 VAL H 1 65 VAL HB 1.800 . 3.500 2.412 2.353 2.505 . 0 0 "[ . 1 . 2]" 1
618 1 65 VAL H 1 65 VAL MG1 1.800 . 5.000 3.745 3.720 3.768 . 0 0 "[ . 1 . 2]" 1
619 1 65 VAL H 1 65 VAL MG2 1.800 . 5.000 2.302 2.117 2.487 . 0 0 "[ . 1 . 2]" 1
620 1 67 ASP H 1 67 ASP QB 1.800 . 3.500 2.303 2.181 2.347 . 0 0 "[ . 1 . 2]" 1
621 1 68 GLN H 1 68 GLN QG 1.800 . 5.000 2.056 1.800 2.320 0.000 6 0 "[ . 1 . 2]" 1
622 1 70 THR H 1 70 THR HB 1.800 . 3.500 2.692 2.562 3.510 0.010 15 0 "[ . 1 . 2]" 1
623 1 70 THR H 1 70 THR MG 1.800 . 5.000 3.696 2.851 3.817 . 0 0 "[ . 1 . 2]" 1
624 1 71 LEU H 1 71 LEU HG 1.800 . 5.000 4.425 4.350 4.484 . 0 0 "[ . 1 . 2]" 1
625 1 71 LEU H 1 71 LEU MD1 1.800 . 5.000 4.312 4.272 4.354 . 0 0 "[ . 1 . 2]" 1
626 1 71 LEU H 1 71 LEU MD2 1.800 . 5.000 4.437 4.400 4.463 . 0 0 "[ . 1 . 2]" 1
627 1 71 LEU QB 1 71 LEU MD1 1.800 . 5.000 2.297 2.276 2.316 . 0 0 "[ . 1 . 2]" 1
628 1 71 LEU QB 1 71 LEU MD2 1.800 . 5.000 2.095 2.088 2.099 . 0 0 "[ . 1 . 2]" 1
629 1 73 TYR H 1 73 TYR QD 1.800 . 5.000 2.763 2.462 3.129 . 0 0 "[ . 1 . 2]" 1
630 1 74 LYS H 1 74 LYS QG 1.800 . 5.000 3.394 2.901 4.169 . 0 0 "[ . 1 . 2]" 1
631 1 74 LYS QB 1 74 LYS QD 1.800 . 5.000 2.169 2.093 2.361 . 0 0 "[ . 1 . 2]" 1
632 1 74 LYS QB 1 74 LYS QE 1.800 . 5.000 3.128 1.793 3.630 0.007 19 0 "[ . 1 . 2]" 1
633 1 76 THR H 1 76 THR MG 1.800 . 5.000 3.054 2.200 3.898 . 0 0 "[ . 1 . 2]" 1
634 1 77 ARG H 1 77 ARG QG 1.800 . 5.000 3.714 2.275 4.145 . 0 0 "[ . 1 . 2]" 1
635 1 77 ARG HA 1 77 ARG QD 1.800 . 5.000 4.011 3.053 4.282 . 0 0 "[ . 1 . 2]" 1
636 1 78 PHE HA 1 78 PHE QD 1.800 . 5.000 2.860 2.647 3.031 . 0 0 "[ . 1 . 2]" 1
637 1 79 VAL H 1 79 VAL MG1 1.800 . 5.000 3.810 3.782 3.838 . 0 0 "[ . 1 . 2]" 1
638 1 79 VAL H 1 79 VAL MG2 1.800 . 5.000 2.417 2.190 2.607 . 0 0 "[ . 1 . 2]" 1
639 1 81 PHE HA 1 81 PHE QD 1.800 . 5.000 2.713 2.356 2.946 . 0 0 "[ . 1 . 2]" 1
640 1 82 VAL H 1 82 VAL HB 1.800 . 3.500 2.692 2.599 2.798 . 0 0 "[ . 1 . 2]" 1
641 1 84 ARG H 1 84 ARG QG 1.800 . 5.000 3.129 1.880 4.197 . 0 0 "[ . 1 . 2]" 1
642 1 84 ARG H 1 84 ARG QD 1.800 . 5.000 4.212 3.174 5.157 0.157 6 0 "[ . 1 . 2]" 1
643 1 84 ARG HA 1 84 ARG QD 1.800 . 5.000 3.880 1.995 4.261 . 0 0 "[ . 1 . 2]" 1
644 1 85 THR H 1 85 THR HB 1.800 . 3.500 2.968 2.495 3.540 0.040 9 0 "[ . 1 . 2]" 1
645 1 85 THR H 1 85 THR MG 1.800 . 5.000 3.530 2.207 3.975 . 0 0 "[ . 1 . 2]" 1
646 1 89 GLU H 1 89 GLU QB 1.800 . 3.500 2.514 2.204 3.401 . 0 0 "[ . 1 . 2]" 1
647 1 89 GLU H 1 89 GLU QG 1.800 . 5.000 3.378 1.928 4.228 . 0 0 "[ . 1 . 2]" 1
648 1 90 LEU H 1 90 LEU HG 1.800 . 5.000 3.268 2.102 4.504 . 0 0 "[ . 1 . 2]" 1
649 1 90 LEU H 1 90 LEU MD1 1.800 . 5.000 3.872 3.465 4.361 . 0 0 "[ . 1 . 2]" 1
650 1 90 LEU H 1 90 LEU MD2 1.800 . 5.000 3.578 2.052 4.460 . 0 0 "[ . 1 . 2]" 1
651 1 90 LEU HA 1 90 LEU MD2 1.800 . 5.000 2.658 1.872 3.916 . 0 0 "[ . 1 . 2]" 1
652 1 90 LEU QB 1 90 LEU MD2 1.800 . 5.000 2.246 2.081 2.376 . 0 0 "[ . 1 . 2]" 1
653 1 3 PRO QB 1 4 LEU QB 1.800 . 6.000 4.069 3.420 4.908 . 0 0 "[ . 1 . 2]" 1
654 1 3 PRO QB 1 4 LEU MD2 1.800 . 6.000 5.304 3.364 6.143 0.143 8 0 "[ . 1 . 2]" 1
655 1 5 GLN HA 1 6 GLN QB 1.800 . 6.000 4.347 4.274 4.464 . 0 0 "[ . 1 . 2]" 1
656 1 8 GLN HA 1 9 VAL MG2 1.800 . 6.000 3.521 3.341 3.781 . 0 0 "[ . 1 . 2]" 1
657 1 9 VAL HB 1 10 VAL MG2 1.800 . 6.000 4.319 4.078 4.490 . 0 0 "[ . 1 . 2]" 1
658 1 10 VAL HA 1 11 VAL MG2 1.800 . 6.000 3.676 3.569 3.773 . 0 0 "[ . 1 . 2]" 1
659 1 11 VAL MG1 1 12 SER HA 1.800 . 6.000 4.453 4.188 4.547 . 0 0 "[ . 1 . 2]" 1
660 1 14 LYS QD 1 15 ARG HA 1.800 . 6.000 5.284 3.184 5.923 . 0 0 "[ . 1 . 2]" 1
661 1 14 LYS QE 1 15 ARG HA 1.800 . 6.000 5.413 3.677 6.049 0.049 20 0 "[ . 1 . 2]" 1
662 1 17 LYS QG 1 18 PRO QD 1.800 . 6.000 3.682 1.782 4.249 0.018 16 0 "[ . 1 . 2]" 1
663 1 18 PRO QB 1 19 VAL MG2 1.800 . 6.000 4.738 4.335 4.936 . 0 0 "[ . 1 . 2]" 1
664 1 19 VAL MG1 1 20 ASN QB 1.800 . 6.000 4.253 3.515 4.955 . 0 0 "[ . 1 . 2]" 1
665 1 28 GLU HA 1 29 VAL MG2 1.800 . 6.000 3.674 3.188 5.466 . 0 0 "[ . 1 . 2]" 1
666 1 28 GLU QB 1 29 VAL MG2 1.800 . 6.000 4.178 2.897 5.756 . 0 0 "[ . 1 . 2]" 1
667 1 29 VAL MG1 1 30 SER QB 1.800 . 6.000 4.614 3.747 5.535 . 0 0 "[ . 1 . 2]" 1
668 1 31 PRO HA 1 32 ALA MB 1.800 . 6.000 4.419 3.919 4.989 . 0 0 "[ . 1 . 2]" 1
669 1 34 THR MG 1 35 SER QB 1.800 . 6.000 4.534 3.333 5.185 . 0 0 "[ . 1 . 2]" 1
670 1 35 SER HA 1 36 MET QB 1.800 . 6.000 4.766 4.369 5.495 . 0 0 "[ . 1 . 2]" 1
671 1 35 SER QB 1 36 MET QB 1.800 . 6.000 4.768 3.672 5.611 . 0 0 "[ . 1 . 2]" 1
672 1 37 ARG HA 1 38 TYR QB 1.800 . 6.000 4.449 4.303 4.598 . 0 0 "[ . 1 . 2]" 1
673 1 38 TYR HA 1 39 GLU QB 1.800 . 6.000 4.447 4.365 4.513 . 0 0 "[ . 1 . 2]" 1
674 1 39 GLU HA 1 40 ALA MB 1.800 . 6.000 3.905 3.773 3.987 . 0 0 "[ . 1 . 2]" 1
675 1 41 SER HA 1 42 PHE QB 1.800 . 6.000 4.400 4.326 4.464 . 0 0 "[ . 1 . 2]" 1
676 1 41 SER HA 1 42 PHE QD 1.800 . 6.000 3.870 3.558 4.205 . 0 0 "[ . 1 . 2]" 1
677 1 42 PHE HA 1 43 LYS QB 1.800 . 6.000 3.996 3.864 4.137 . 0 0 "[ . 1 . 2]" 1
678 1 43 LYS HA 1 44 PRO QG 1.800 . 6.000 3.755 3.668 3.857 . 0 0 "[ . 1 . 2]" 1
679 1 43 LYS QG 1 44 PRO QD 1.800 . 6.000 2.677 2.322 3.175 . 0 0 "[ . 1 . 2]" 1
680 1 45 LEU QB 1 46 ASN QB 1.800 . 6.000 4.081 3.277 4.629 . 0 0 "[ . 1 . 2]" 1
681 1 48 GLY QA 1 49 LEU QB 1.800 . 6.000 4.004 3.731 4.211 . 0 0 "[ . 1 . 2]" 1
682 1 48 GLY QA 1 49 LEU MD1 1.800 . 6.000 4.843 2.741 5.182 . 0 0 "[ . 1 . 2]" 1
683 1 50 GLU HA 1 51 LYS QG 1.800 . 6.000 4.052 3.488 5.014 . 0 0 "[ . 1 . 2]" 1
684 1 53 PHE HA 1 54 ARG QB 1.800 . 6.000 4.291 3.953 4.614 . 0 0 "[ . 1 . 2]" 1
685 1 56 GLN QB 1 57 ALA MB 1.800 . 6.000 3.830 3.388 4.602 . 0 0 "[ . 1 . 2]" 1
686 1 57 ALA MB 1 58 GLN HA 1.800 . 6.000 3.826 3.724 3.913 . 0 0 "[ . 1 . 2]" 1
687 1 57 ALA MB 1 58 GLN QB 1.800 . 6.000 4.110 3.606 4.498 . 0 0 "[ . 1 . 2]" 1
688 1 58 GLN QG 1 59 GLN HA 1.800 . 6.000 5.150 3.352 5.889 . 0 0 "[ . 1 . 2]" 1
689 1 61 HIS HA 1 62 ALA MB 1.800 . 6.000 4.928 4.729 4.986 . 0 0 "[ . 1 . 2]" 1
690 1 61 HIS QB 1 62 ALA MB 1.800 . 6.000 3.911 3.641 4.534 . 0 0 "[ . 1 . 2]" 1
691 1 62 ALA MB 1 63 LEU MD1 1.800 . 6.000 4.671 4.308 5.008 . 0 0 "[ . 1 . 2]" 1
692 1 62 ALA MB 1 63 LEU MD2 1.800 . 6.000 3.396 2.396 5.832 . 0 0 "[ . 1 . 2]" 1
693 1 64 THR HA 1 65 VAL HB 1.800 . 6.000 4.584 4.457 4.804 . 0 0 "[ . 1 . 2]" 1
694 1 64 THR HA 1 65 VAL MG1 1.800 . 6.000 5.502 5.441 5.591 . 0 0 "[ . 1 . 2]" 1
695 1 64 THR HA 1 65 VAL MG2 1.800 . 6.000 3.879 3.728 4.170 . 0 0 "[ . 1 . 2]" 1
696 1 64 THR MG 1 65 VAL HB 1.800 . 6.000 3.902 3.379 4.931 . 0 0 "[ . 1 . 2]" 1
697 1 65 VAL HA 1 66 GLY QA 1.800 . 6.000 3.926 3.908 3.943 . 0 0 "[ . 1 . 2]" 1
698 1 65 VAL MG1 1 66 GLY QA 1.800 . 6.000 3.100 2.966 3.244 . 0 0 "[ . 1 . 2]" 1
699 1 65 VAL MG2 1 66 GLY QA 1.800 . 6.000 4.917 4.848 4.969 . 0 0 "[ . 1 . 2]" 1
700 1 70 THR MG 1 71 LEU QB 1.800 . 6.000 4.249 4.005 5.034 . 0 0 "[ . 1 . 2]" 1
701 1 72 SER HA 1 73 TYR QD 1.800 . 6.000 3.657 3.390 4.124 . 0 0 "[ . 1 . 2]" 1
702 1 75 GLY QA 1 76 THR MG 1.800 . 6.000 3.843 3.445 4.995 . 0 0 "[ . 1 . 2]" 1
703 1 76 THR MG 1 77 ARG HA 1.800 . 6.000 5.152 3.401 5.544 . 0 0 "[ . 1 . 2]" 1
704 1 78 PHE HA 1 79 VAL HB 1.800 . 6.000 4.671 4.600 4.716 . 0 0 "[ . 1 . 2]" 1
705 1 78 PHE HA 1 79 VAL MG2 1.800 . 6.000 3.703 3.591 3.794 . 0 0 "[ . 1 . 2]" 1
706 1 79 VAL MG1 1 80 GLY QA 1.800 . 6.000 3.308 3.082 3.679 . 0 0 "[ . 1 . 2]" 1
707 1 81 PHE HA 1 82 VAL HA 1.800 . 6.000 4.384 4.353 4.411 . 0 0 "[ . 1 . 2]" 1
708 1 81 PHE HA 1 82 VAL HB 1.800 . 6.000 4.642 4.583 4.688 . 0 0 "[ . 1 . 2]" 1
709 1 81 PHE HA 1 82 VAL QG 1.800 . 6.000 3.440 3.314 3.607 . 0 0 "[ . 1 . 2]" 1
710 1 81 PHE QD 1 82 VAL HA 1.800 . 6.000 4.253 3.788 4.791 . 0 0 "[ . 1 . 2]" 1
711 1 82 VAL HA 1 83 SER QB 1.800 . 6.000 4.379 4.105 4.703 . 0 0 "[ . 1 . 2]" 1
712 1 82 VAL QG 1 83 SER HA 1.800 . 6.000 4.099 3.898 4.230 . 0 0 "[ . 1 . 2]" 1
713 1 83 SER HA 1 84 ARG HA 1.800 . 6.000 4.356 4.184 4.687 . 0 0 "[ . 1 . 2]" 1
714 1 83 SER HA 1 84 ARG QB 1.800 . 6.000 4.330 3.839 4.686 . 0 0 "[ . 1 . 2]" 1
715 1 83 SER QB 1 84 ARG QB 1.800 . 6.000 4.598 3.256 5.267 . 0 0 "[ . 1 . 2]" 1
716 1 84 ARG HA 1 85 THR HA 1.800 . 6.000 4.589 4.367 5.342 . 0 0 "[ . 1 . 2]" 1
717 1 84 ARG HA 1 85 THR MG 1.800 . 6.000 5.590 4.768 6.011 0.011 11 0 "[ . 1 . 2]" 1
718 1 84 ARG QB 1 85 THR MG 1.800 . 6.000 4.913 3.126 5.944 . 0 0 "[ . 1 . 2]" 1
719 1 84 ARG QG 1 85 THR HA 1.800 . 6.000 5.102 3.934 6.084 0.084 12 0 "[ . 1 . 2]" 1
720 1 85 THR HA 1 86 PRO HA 1.800 . 6.000 4.521 4.399 4.851 . 0 0 "[ . 1 . 2]" 1
721 1 85 THR HA 1 86 PRO QG 1.800 . 6.000 3.885 3.665 5.183 . 0 0 "[ . 1 . 2]" 1
722 1 85 THR HB 1 86 PRO QD 1.800 . 6.000 3.891 2.137 4.391 . 0 0 "[ . 1 . 2]" 1
723 1 85 THR MG 1 86 PRO QD 1.800 . 6.000 2.987 2.076 4.160 . 0 0 "[ . 1 . 2]" 1
724 1 86 PRO HA 1 87 ASP QB 1.800 . 6.000 4.428 4.087 5.102 . 0 0 "[ . 1 . 2]" 1
725 1 86 PRO QB 1 87 ASP HA 1.800 . 6.000 4.429 3.835 4.702 . 0 0 "[ . 1 . 2]" 1
726 1 88 ASN QB 1 89 GLU QB 1.800 . 6.000 4.482 3.576 5.279 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 69
_Distance_constraint_stats_list.Viol_total 36.758
_Distance_constraint_stats_list.Viol_max 0.090
_Distance_constraint_stats_list.Viol_rms 0.0095
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0266
_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 5 GLN 0.070 0.023 5 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.018 0.018 16 0 "[ . 1 . 2]"
1 13 ASN 0.016 0.011 13 0 "[ . 1 . 2]"
1 15 ARG 0.133 0.082 18 0 "[ . 1 . 2]"
1 38 TYR 0.030 0.023 4 0 "[ . 1 . 2]"
1 39 GLU 0.133 0.082 18 0 "[ . 1 . 2]"
1 40 ALA 0.004 0.003 8 0 "[ . 1 . 2]"
1 41 SER 0.016 0.011 13 0 "[ . 1 . 2]"
1 42 PHE 0.020 0.017 15 0 "[ . 1 . 2]"
1 43 LYS 0.018 0.018 16 0 "[ . 1 . 2]"
1 51 LYS 0.020 0.017 15 0 "[ . 1 . 2]"
1 53 PHE 0.004 0.003 8 0 "[ . 1 . 2]"
1 55 LEU 0.030 0.023 4 0 "[ . 1 . 2]"
1 56 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.165 0.033 2 0 "[ . 1 . 2]"
1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 HIS 0.165 0.033 2 0 "[ . 1 . 2]"
1 64 THR 0.014 0.014 7 0 "[ . 1 . 2]"
1 66 GLY 1.091 0.090 4 0 "[ . 1 . 2]"
1 67 ASP 0.014 0.014 7 0 "[ . 1 . 2]"
1 68 GLN 1.091 0.090 4 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 0.064 0.029 14 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.214 0.029 20 0 "[ . 1 . 2]"
1 73 TYR 0.070 0.023 5 0 "[ . 1 . 2]"
1 79 VAL 0.214 0.029 20 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.064 0.029 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 GLN H 1 73 TYR O 1.600 . 2.300 2.064 1.829 2.285 . 0 0 "[ . 1 . 2]" 2
2 1 5 GLN N 1 73 TYR O 2.600 2.600 3.300 2.909 2.758 3.076 . 0 0 "[ . 1 . 2]" 2
3 1 9 VAL H 1 69 GLY O 1.600 . 2.300 1.875 1.717 2.063 . 0 0 "[ . 1 . 2]" 2
4 1 9 VAL N 1 69 GLY O 2.600 2.600 3.300 2.804 2.678 2.978 . 0 0 "[ . 1 . 2]" 2
5 1 10 VAL H 1 43 LYS O 1.600 . 2.300 1.948 1.725 2.318 0.018 16 0 "[ . 1 . 2]" 2
6 1 10 VAL N 1 43 LYS O 2.600 2.600 3.300 2.916 2.707 3.299 . 0 0 "[ . 1 . 2]" 2
7 1 15 ARG H 1 39 GLU O 1.600 . 2.300 1.829 1.615 2.260 . 0 0 "[ . 1 . 2]" 2
8 1 15 ARG N 1 39 GLU O 2.600 2.600 3.300 2.769 2.602 2.922 . 0 0 "[ . 1 . 2]" 2
9 1 15 ARG O 1 39 GLU H 1.600 . 2.300 2.058 1.718 2.382 0.082 18 0 "[ . 1 . 2]" 2
10 1 15 ARG O 1 39 GLU N 2.600 2.600 3.300 2.926 2.686 3.247 . 0 0 "[ . 1 . 2]" 2
11 1 40 ALA H 1 53 PHE O 1.600 . 2.300 1.954 1.711 2.163 . 0 0 "[ . 1 . 2]" 2
12 1 40 ALA N 1 53 PHE O 2.600 2.600 3.300 2.896 2.673 3.092 . 0 0 "[ . 1 . 2]" 2
13 1 13 ASN O 1 41 SER H 1.600 . 2.300 1.980 1.711 2.311 0.011 13 0 "[ . 1 . 2]" 2
14 1 13 ASN O 1 41 SER N 2.600 2.600 3.300 2.932 2.691 3.290 . 0 0 "[ . 1 . 2]" 2
15 1 42 PHE H 1 51 LYS O 1.600 . 2.300 1.836 1.725 2.118 . 0 0 "[ . 1 . 2]" 2
16 1 42 PHE N 1 51 LYS O 2.600 2.600 3.300 2.805 2.707 3.067 . 0 0 "[ . 1 . 2]" 2
17 1 10 VAL O 1 43 LYS H 1.600 . 2.300 1.761 1.665 1.966 . 0 0 "[ . 1 . 2]" 2
18 1 10 VAL O 1 43 LYS N 2.600 2.600 3.300 2.737 2.641 2.925 . 0 0 "[ . 1 . 2]" 2
19 1 42 PHE O 1 51 LYS H 1.600 . 2.300 2.025 1.768 2.317 0.017 15 0 "[ . 1 . 2]" 2
20 1 42 PHE O 1 51 LYS N 2.600 2.600 3.300 2.940 2.723 3.187 . 0 0 "[ . 1 . 2]" 2
21 1 40 ALA O 1 53 PHE H 1.600 . 2.300 2.101 1.935 2.303 0.003 8 0 "[ . 1 . 2]" 2
22 1 40 ALA O 1 53 PHE N 2.600 2.600 3.300 3.011 2.882 3.226 . 0 0 "[ . 1 . 2]" 2
23 1 38 TYR O 1 55 LEU H 1.600 . 2.300 1.916 1.650 2.323 0.023 4 0 "[ . 1 . 2]" 2
24 1 38 TYR O 1 55 LEU N 2.600 2.600 3.300 2.771 2.593 3.058 0.007 8 0 "[ . 1 . 2]" 2
25 1 56 GLN O 1 60 TYR H 1.600 . 2.300 1.887 1.710 2.153 . 0 0 "[ . 1 . 2]" 2
26 1 56 GLN O 1 60 TYR N 2.600 2.600 3.300 2.825 2.640 3.048 . 0 0 "[ . 1 . 2]" 2
27 1 57 ALA O 1 61 HIS H 1.600 . 2.300 2.248 1.845 2.333 0.033 2 0 "[ . 1 . 2]" 2
28 1 57 ALA O 1 61 HIS N 2.600 2.600 3.300 3.046 2.745 3.202 . 0 0 "[ . 1 . 2]" 2
29 1 64 THR O 1 67 ASP H 1.600 . 2.300 2.138 1.943 2.314 0.014 7 0 "[ . 1 . 2]" 2
30 1 64 THR O 1 67 ASP N 2.600 2.600 3.300 3.037 2.846 3.213 . 0 0 "[ . 1 . 2]" 2
31 1 66 GLY O 1 68 GLN H 1.600 . 2.300 2.355 2.329 2.390 0.090 4 0 "[ . 1 . 2]" 2
32 1 66 GLY O 1 68 GLN N 2.600 2.600 3.300 2.949 2.911 2.991 . 0 0 "[ . 1 . 2]" 2
33 1 70 THR H 1 82 VAL O 1.600 . 2.300 2.152 1.844 2.329 0.029 14 0 "[ . 1 . 2]" 2
34 1 70 THR N 1 82 VAL O 2.600 2.600 3.300 2.941 2.744 3.130 . 0 0 "[ . 1 . 2]" 2
35 1 7 LYS O 1 71 LEU H 1.600 . 2.300 1.870 1.681 2.136 . 0 0 "[ . 1 . 2]" 2
36 1 7 LYS O 1 71 LEU N 2.600 2.600 3.300 2.773 2.654 2.985 . 0 0 "[ . 1 . 2]" 2
37 1 72 SER H 1 80 GLY O 1.600 . 2.300 1.934 1.802 2.129 . 0 0 "[ . 1 . 2]" 2
38 1 72 SER N 1 80 GLY O 2.600 2.600 3.300 2.844 2.730 3.012 . 0 0 "[ . 1 . 2]" 2
39 1 5 GLN O 1 73 TYR H 1.600 . 2.300 2.136 1.828 2.323 0.023 5 0 "[ . 1 . 2]" 2
40 1 5 GLN O 1 73 TYR N 2.600 2.600 3.300 3.099 2.810 3.279 . 0 0 "[ . 1 . 2]" 2
41 1 72 SER O 1 79 VAL H 1.600 . 2.300 2.290 2.082 2.329 0.029 20 0 "[ . 1 . 2]" 2
42 1 72 SER O 1 79 VAL N 2.600 2.600 3.300 3.087 2.864 3.148 . 0 0 "[ . 1 . 2]" 2
43 1 70 THR O 1 82 VAL H 1.600 . 2.300 1.800 1.700 2.017 . 0 0 "[ . 1 . 2]" 2
44 1 70 THR O 1 82 VAL N 2.600 2.600 3.300 2.736 2.659 2.836 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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