NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447437 |
2kpu   |
16570 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kpu
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 780
_Distance_constraint_stats_list.Viol_count 630
_Distance_constraint_stats_list.Viol_total 276.489
_Distance_constraint_stats_list.Viol_max 0.124
_Distance_constraint_stats_list.Viol_rms 0.0057
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0219
_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 7 ARG 0.056 0.034 8 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.227 0.044 9 0 "[ . 1 . 2]"
1 10 THR 0.310 0.067 5 0 "[ . 1 . 2]"
1 11 LEU 0.730 0.059 19 0 "[ . 1 . 2]"
1 12 THR 0.525 0.059 19 0 "[ . 1 . 2]"
1 13 LEU 0.231 0.024 12 0 "[ . 1 . 2]"
1 14 SER 0.251 0.045 5 0 "[ . 1 . 2]"
1 15 LEU 0.064 0.036 1 0 "[ . 1 . 2]"
1 16 ILE 0.287 0.035 6 0 "[ . 1 . 2]"
1 17 ALA 0.884 0.117 14 0 "[ . 1 . 2]"
1 18 LYS 0.611 0.108 17 0 "[ . 1 . 2]"
1 19 ASN 0.471 0.124 14 0 "[ . 1 . 2]"
1 20 THR 1.311 0.124 14 0 "[ . 1 . 2]"
1 21 PRO 0.072 0.030 19 0 "[ . 1 . 2]"
1 22 ALA 0.101 0.060 16 0 "[ . 1 . 2]"
1 23 ASN 0.134 0.060 16 0 "[ . 1 . 2]"
1 24 SER 0.709 0.070 18 0 "[ . 1 . 2]"
1 25 MET 0.939 0.070 18 0 "[ . 1 . 2]"
1 26 ILE 0.253 0.042 5 0 "[ . 1 . 2]"
1 27 MET 0.092 0.037 9 0 "[ . 1 . 2]"
1 28 THR 0.057 0.030 11 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.101 0.019 20 0 "[ . 1 . 2]"
1 31 PRO 0.060 0.019 3 0 "[ . 1 . 2]"
1 32 SER 0.251 0.045 5 0 "[ . 1 . 2]"
1 33 VAL 0.524 0.039 17 0 "[ . 1 . 2]"
1 34 ARG 0.221 0.067 5 0 "[ . 1 . 2]"
1 35 VAL 0.697 0.058 5 0 "[ . 1 . 2]"
1 36 LYS 1.210 0.107 19 0 "[ . 1 . 2]"
1 37 THR 0.425 0.048 15 0 "[ . 1 . 2]"
1 38 GLU 0.155 0.027 11 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TYR 0.217 0.054 1 0 "[ . 1 . 2]"
1 41 ASN 0.297 0.044 9 0 "[ . 1 . 2]"
1 42 PRO 0.002 0.002 10 0 "[ . 1 . 2]"
1 43 SER 0.101 0.030 8 0 "[ . 1 . 2]"
1 44 ILE 0.288 0.034 4 0 "[ . 1 . 2]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.282 0.042 1 0 "[ . 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.021 0.013 1 0 "[ . 1 . 2]"
1 49 LEU 0.443 0.042 1 0 "[ . 1 . 2]"
1 50 PHE 0.192 0.037 4 0 "[ . 1 . 2]"
1 51 ALA 0.343 0.039 17 0 "[ . 1 . 2]"
1 52 TYR 0.649 0.118 20 0 "[ . 1 . 2]"
1 53 VAL 0.057 0.015 6 0 "[ . 1 . 2]"
1 54 ASP 0.237 0.045 3 0 "[ . 1 . 2]"
1 55 LEU 0.379 0.059 20 0 "[ . 1 . 2]"
1 56 SER 0.296 0.036 12 0 "[ . 1 . 2]"
1 57 GLY 0.227 0.033 3 0 "[ . 1 . 2]"
1 58 SER 0.133 0.043 13 0 "[ . 1 . 2]"
1 59 GLU 0.021 0.021 13 0 "[ . 1 . 2]"
1 60 PRO 0.120 0.035 8 0 "[ . 1 . 2]"
1 61 GLY 0.175 0.037 8 0 "[ . 1 . 2]"
1 62 GLU 0.035 0.012 7 0 "[ . 1 . 2]"
1 63 HIS 0.049 0.021 19 0 "[ . 1 . 2]"
1 64 ASP 0.096 0.032 18 0 "[ . 1 . 2]"
1 65 TYR 0.015 0.015 5 0 "[ . 1 . 2]"
1 66 GLU 0.206 0.045 3 0 "[ . 1 . 2]"
1 67 VAL 0.070 0.031 16 0 "[ . 1 . 2]"
1 68 LYS 0.649 0.118 20 0 "[ . 1 . 2]"
1 69 VAL 0.078 0.029 5 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PRO 0.057 0.021 17 0 "[ . 1 . 2]"
1 72 ILE 0.059 0.025 12 0 "[ . 1 . 2]"
1 73 PRO 0.407 0.115 6 0 "[ . 1 . 2]"
1 74 ASN 0.466 0.115 6 0 "[ . 1 . 2]"
1 75 ILE 0.710 0.054 1 0 "[ . 1 . 2]"
1 76 LYS 0.367 0.068 15 0 "[ . 1 . 2]"
1 77 ILE 0.884 0.068 15 0 "[ . 1 . 2]"
1 78 VAL 1.634 0.107 19 0 "[ . 1 . 2]"
1 79 GLU 0.606 0.052 17 0 "[ . 1 . 2]"
1 80 ILE 0.288 0.040 20 0 "[ . 1 . 2]"
1 81 SER 0.474 0.072 10 0 "[ . 1 . 2]"
1 82 PRO 0.818 0.072 10 0 "[ . 1 . 2]"
1 83 ARG 0.329 0.059 4 0 "[ . 1 . 2]"
1 84 VAL 0.092 0.032 18 0 "[ . 1 . 2]"
1 85 VAL 0.054 0.019 3 0 "[ . 1 . 2]"
1 86 THR 0.053 0.020 13 0 "[ . 1 . 2]"
1 87 LEU 0.175 0.028 19 0 "[ . 1 . 2]"
1 88 GLN 0.009 0.007 20 0 "[ . 1 . 2]"
1 89 LEU 1.477 0.062 1 0 "[ . 1 . 2]"
1 90 GLU 0.890 0.062 1 0 "[ . 1 . 2]"
1 91 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 HIS 0.043 0.030 18 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 19 ASN H 1 20 THR H 1.800 . 3.500 2.933 2.559 3.624 0.124 14 0 "[ . 1 . 2]" 1
2 1 23 ASN H 1 24 SER H 1.800 . 5.000 2.516 2.094 3.210 . 0 0 "[ . 1 . 2]" 1
3 1 27 MET H 1 28 THR H 1.800 . 3.500 2.403 2.176 2.658 . 0 0 "[ . 1 . 2]" 1
4 1 28 THR H 1 29 LYS H 1.800 . 5.000 4.425 4.322 4.626 . 0 0 "[ . 1 . 2]" 1
5 1 39 GLY H 1 40 TYR H 1.800 . 5.000 4.333 4.022 4.489 . 0 0 "[ . 1 . 2]" 1
6 1 40 TYR H 1 41 ASN H 1.800 . 5.000 4.340 3.855 4.574 . 0 0 "[ . 1 . 2]" 1
7 1 43 SER H 1 44 ILE H 1.800 . 3.500 2.679 2.135 3.530 0.030 8 0 "[ . 1 . 2]" 1
8 1 44 ILE H 1 45 ASN H 1.800 . 5.000 4.356 3.609 4.601 . 0 0 "[ . 1 . 2]" 1
9 1 46 VAL H 1 47 ASN H 1.800 . 3.500 2.564 2.368 2.718 . 0 0 "[ . 1 . 2]" 1
10 1 47 ASN H 1 48 GLU H 1.800 . 3.500 2.383 2.139 2.610 . 0 0 "[ . 1 . 2]" 1
11 1 48 GLU H 1 49 LEU H 1.800 . 3.500 2.088 1.911 2.350 . 0 0 "[ . 1 . 2]" 1
12 1 54 ASP H 1 55 LEU H 1.800 . 5.000 4.241 3.956 4.448 . 0 0 "[ . 1 . 2]" 1
13 1 55 LEU H 1 56 SER H 1.800 . 5.000 3.102 2.435 4.009 . 0 0 "[ . 1 . 2]" 1
14 1 56 SER H 1 57 GLY H 1.800 . 5.000 3.130 2.421 4.465 . 0 0 "[ . 1 . 2]" 1
15 1 57 GLY H 1 58 SER H 1.800 . 5.000 3.566 2.166 4.521 . 0 0 "[ . 1 . 2]" 1
16 1 58 SER H 1 59 GLU H 1.800 . 5.000 3.667 1.976 4.530 . 0 0 "[ . 1 . 2]" 1
17 1 69 VAL H 1 70 GLU H 1.800 . 5.000 4.520 4.429 4.590 . 0 0 "[ . 1 . 2]" 1
18 1 74 ASN H 1 75 ILE H 1.800 . 5.000 2.820 1.763 3.481 0.037 10 0 "[ . 1 . 2]" 1
19 1 79 GLU H 1 80 ILE H 1.800 . 5.000 4.366 3.948 4.487 . 0 0 "[ . 1 . 2]" 1
20 1 83 ARG H 1 84 VAL H 1.800 . 3.000 2.267 1.871 2.702 . 0 0 "[ . 1 . 2]" 1
21 1 90 GLU H 1 91 HIS H 1.800 . 5.000 4.453 4.334 4.544 . 0 0 "[ . 1 . 2]" 1
22 1 91 HIS H 1 92 HIS H 1.800 . 5.000 4.428 4.080 4.597 . 0 0 "[ . 1 . 2]" 1
23 1 78 VAL H 1 79 GLU H 1.800 . 3.000 2.386 2.180 2.584 . 0 0 "[ . 1 . 2]" 1
24 1 46 VAL H 1 48 GLU H 1.800 . 5.000 4.024 3.711 4.355 . 0 0 "[ . 1 . 2]" 1
25 1 47 ASN H 1 49 LEU H 1.800 . 5.000 3.877 3.657 4.109 . 0 0 "[ . 1 . 2]" 1
26 1 9 PRO HA 1 10 THR H 1.800 . 2.900 2.231 2.123 2.442 . 0 0 "[ . 1 . 2]" 1
27 1 10 THR HA 1 11 LEU H 1.800 . 3.500 2.166 2.140 2.216 . 0 0 "[ . 1 . 2]" 1
28 1 11 LEU HA 1 12 THR H 1.800 . 3.500 2.169 2.084 2.337 . 0 0 "[ . 1 . 2]" 1
29 1 12 THR HA 1 13 LEU H 1.800 . 3.500 2.161 2.107 2.220 . 0 0 "[ . 1 . 2]" 1
30 1 13 LEU HA 1 14 SER H 1.800 . 2.900 2.313 2.149 2.663 . 0 0 "[ . 1 . 2]" 1
31 1 14 SER HA 1 15 LEU H 1.800 . 2.900 2.216 2.148 2.270 . 0 0 "[ . 1 . 2]" 1
32 1 15 LEU HA 1 16 ILE H 1.800 . 3.500 2.165 2.132 2.193 . 0 0 "[ . 1 . 2]" 1
33 1 16 ILE HA 1 17 ALA H 1.800 . 2.900 2.277 2.153 2.474 . 0 0 "[ . 1 . 2]" 1
34 1 18 LYS HA 1 19 ASN H 1.800 . 3.500 2.498 2.073 3.541 0.041 12 0 "[ . 1 . 2]" 1
35 1 21 PRO HA 1 22 ALA H 1.800 . 2.900 2.383 2.204 2.602 . 0 0 "[ . 1 . 2]" 1
36 1 23 ASN HA 1 24 SER H 1.800 . 3.500 3.286 2.833 3.511 0.011 16 0 "[ . 1 . 2]" 1
37 1 24 SER HA 1 25 MET H 1.800 . 3.500 2.160 2.114 2.349 . 0 0 "[ . 1 . 2]" 1
38 1 25 MET HA 1 26 ILE H 1.800 . 2.900 2.159 2.095 2.234 . 0 0 "[ . 1 . 2]" 1
39 1 26 ILE HA 1 27 MET H 1.800 . 3.500 2.171 2.128 2.258 . 0 0 "[ . 1 . 2]" 1
40 1 28 THR HA 1 29 LYS H 1.800 . 2.900 2.183 2.152 2.349 . 0 0 "[ . 1 . 2]" 1
41 1 29 LYS HA 1 30 LEU H 1.800 . 2.900 2.155 2.088 2.242 . 0 0 "[ . 1 . 2]" 1
42 1 31 PRO HA 1 32 SER H 1.800 . 2.900 2.601 2.350 2.836 . 0 0 "[ . 1 . 2]" 1
43 1 32 SER HA 1 33 VAL H 1.800 . 3.500 2.227 2.153 2.369 . 0 0 "[ . 1 . 2]" 1
44 1 33 VAL HA 1 34 ARG H 1.800 . 3.500 2.240 2.149 2.342 . 0 0 "[ . 1 . 2]" 1
45 1 34 ARG HA 1 35 VAL H 1.800 . 2.900 2.141 2.100 2.187 . 0 0 "[ . 1 . 2]" 1
46 1 35 VAL HA 1 36 LYS H 1.800 . 3.500 2.189 2.080 2.410 . 0 0 "[ . 1 . 2]" 1
47 1 36 LYS HA 1 37 THR H 1.800 . 2.900 2.181 2.141 2.235 . 0 0 "[ . 1 . 2]" 1
48 1 37 THR HA 1 38 GLU H 1.800 . 3.500 2.337 2.129 2.617 . 0 0 "[ . 1 . 2]" 1
49 1 38 GLU HA 1 39 GLY H 1.800 . 2.900 2.161 2.121 2.235 . 0 0 "[ . 1 . 2]" 1
50 1 40 TYR HA 1 41 ASN H 1.800 . 2.900 2.214 2.134 2.370 . 0 0 "[ . 1 . 2]" 1
51 1 44 ILE HA 1 45 ASN H 1.800 . 2.900 2.185 2.099 2.409 . 0 0 "[ . 1 . 2]" 1
52 1 45 ASN HA 1 46 VAL H 1.800 . 3.500 2.245 2.097 2.767 . 0 0 "[ . 1 . 2]" 1
53 1 49 LEU HA 1 50 PHE H 1.800 . 2.900 2.200 2.120 2.282 . 0 0 "[ . 1 . 2]" 1
54 1 50 PHE HA 1 51 ALA H 1.800 . 3.500 2.330 2.193 2.506 . 0 0 "[ . 1 . 2]" 1
55 1 52 TYR HA 1 53 VAL H 1.800 . 3.500 2.232 2.166 2.317 . 0 0 "[ . 1 . 2]" 1
56 1 53 VAL HA 1 54 ASP H 1.800 . 3.500 2.149 2.092 2.226 . 0 0 "[ . 1 . 2]" 1
57 1 54 ASP HA 1 55 LEU H 1.800 . 3.500 2.146 2.107 2.208 . 0 0 "[ . 1 . 2]" 1
58 1 56 SER HA 1 57 GLY H 1.800 . 3.500 3.054 2.131 3.533 0.033 3 0 "[ . 1 . 2]" 1
59 1 58 SER HA 1 59 GLU H 1.800 . 3.500 2.488 2.147 3.133 . 0 0 "[ . 1 . 2]" 1
60 1 60 PRO HA 1 61 GLY H 1.800 . 3.500 2.258 2.138 2.595 . 0 0 "[ . 1 . 2]" 1
61 1 61 GLY QA 1 62 GLU H 1.800 . 3.500 2.264 2.130 2.303 . 0 0 "[ . 1 . 2]" 1
62 1 62 GLU HA 1 63 HIS H 1.800 . 3.500 2.159 2.110 2.239 . 0 0 "[ . 1 . 2]" 1
63 1 63 HIS HA 1 64 ASP H 1.800 . 2.900 2.294 2.201 2.547 . 0 0 "[ . 1 . 2]" 1
64 1 64 ASP HA 1 65 TYR H 1.800 . 2.900 2.151 2.121 2.198 . 0 0 "[ . 1 . 2]" 1
65 1 65 TYR HA 1 66 GLU H 1.800 . 3.500 2.296 2.119 2.458 . 0 0 "[ . 1 . 2]" 1
66 1 66 GLU HA 1 67 VAL H 1.800 . 3.500 2.163 2.116 2.214 . 0 0 "[ . 1 . 2]" 1
67 1 67 VAL HA 1 68 LYS H 1.800 . 3.500 2.144 2.107 2.177 . 0 0 "[ . 1 . 2]" 1
68 1 68 LYS HA 1 69 VAL H 1.800 . 3.500 2.163 2.127 2.304 . 0 0 "[ . 1 . 2]" 1
69 1 69 VAL HA 1 70 GLU H 1.800 . 2.900 2.218 2.151 2.281 . 0 0 "[ . 1 . 2]" 1
70 1 71 PRO HA 1 72 ILE H 1.800 . 3.500 2.155 2.122 2.236 . 0 0 "[ . 1 . 2]" 1
71 1 73 PRO HA 1 74 ASN H 1.800 . 2.900 2.335 2.116 3.015 0.115 6 0 "[ . 1 . 2]" 1
72 1 75 ILE HA 1 76 LYS H 1.800 . 3.500 2.192 2.116 2.363 . 0 0 "[ . 1 . 2]" 1
73 1 76 LYS HA 1 77 ILE H 1.800 . 2.900 2.206 2.134 2.494 . 0 0 "[ . 1 . 2]" 1
74 1 77 ILE HA 1 78 VAL H 1.800 . 3.500 2.158 2.112 2.250 . 0 0 "[ . 1 . 2]" 1
75 1 79 GLU HA 1 80 ILE H 1.800 . 2.900 2.202 2.136 2.324 . 0 0 "[ . 1 . 2]" 1
76 1 80 ILE HA 1 81 SER H 1.800 . 3.500 2.292 2.152 2.989 . 0 0 "[ . 1 . 2]" 1
77 1 82 PRO HA 1 83 ARG H 1.800 . 3.500 2.338 2.113 2.549 . 0 0 "[ . 1 . 2]" 1
78 1 84 VAL HA 1 85 VAL H 1.800 . 2.900 2.174 2.137 2.261 . 0 0 "[ . 1 . 2]" 1
79 1 85 VAL HA 1 86 THR H 1.800 . 3.500 2.180 2.132 2.266 . 0 0 "[ . 1 . 2]" 1
80 1 86 THR HA 1 87 LEU H 1.800 . 2.900 2.167 2.140 2.220 . 0 0 "[ . 1 . 2]" 1
81 1 87 LEU HA 1 88 GLN H 1.800 . 3.500 2.159 2.118 2.243 . 0 0 "[ . 1 . 2]" 1
82 1 88 GLN HA 1 89 LEU H 1.800 . 3.500 2.163 2.118 2.215 . 0 0 "[ . 1 . 2]" 1
83 1 89 LEU HA 1 90 GLU H 1.800 . 3.500 2.142 2.053 2.342 . 0 0 "[ . 1 . 2]" 1
84 1 91 HIS HA 1 92 HIS H 1.800 . 3.500 2.192 2.126 2.432 . 0 0 "[ . 1 . 2]" 1
85 1 18 LYS HA 1 20 THR H 1.800 . 5.000 3.842 3.225 5.108 0.108 17 0 "[ . 1 . 2]" 1
86 1 22 ALA HA 1 24 SER H 1.800 . 5.000 3.625 3.247 3.993 . 0 0 "[ . 1 . 2]" 1
87 1 41 ASN HA 1 43 SER H 1.800 . 5.000 3.997 3.005 4.793 . 0 0 "[ . 1 . 2]" 1
88 1 45 ASN HA 1 47 ASN H 1.800 . 5.000 3.532 3.133 3.858 . 0 0 "[ . 1 . 2]" 1
89 1 46 VAL HA 1 48 GLU H 1.800 . 5.000 3.640 3.364 4.032 . 0 0 "[ . 1 . 2]" 1
90 1 47 ASN HA 1 49 LEU H 1.800 . 5.000 4.210 3.853 4.637 . 0 0 "[ . 1 . 2]" 1
91 1 54 ASP HA 1 56 SER H 1.800 . 5.000 3.923 3.293 5.036 0.036 12 0 "[ . 1 . 2]" 1
92 1 73 PRO HA 1 75 ILE H 1.800 . 5.000 3.895 3.329 5.015 0.015 6 0 "[ . 1 . 2]" 1
93 1 77 ILE HA 1 79 GLU H 1.800 . 5.000 4.326 4.010 4.671 . 0 0 "[ . 1 . 2]" 1
94 1 81 SER HA 1 83 ARG H 1.800 . 5.000 3.225 2.230 3.794 . 0 0 "[ . 1 . 2]" 1
95 1 82 PRO HA 1 84 VAL H 1.800 . 5.000 4.216 3.776 4.897 . 0 0 "[ . 1 . 2]" 1
96 1 46 VAL HA 1 49 LEU H 1.800 . 5.000 3.110 2.703 3.347 . 0 0 "[ . 1 . 2]" 1
97 1 16 ILE HB 1 17 ALA H 1.800 . 3.500 2.633 2.185 2.897 . 0 0 "[ . 1 . 2]" 1
98 1 26 ILE HB 1 27 MET H 1.800 . 5.000 4.240 4.030 4.361 . 0 0 "[ . 1 . 2]" 1
99 1 28 THR HB 1 29 LYS H 1.800 . 5.000 4.160 3.546 4.391 . 0 0 "[ . 1 . 2]" 1
100 1 33 VAL HB 1 34 ARG H 1.800 . 5.000 3.369 2.624 4.194 . 0 0 "[ . 1 . 2]" 1
101 1 37 THR HB 1 38 GLU H 1.800 . 3.500 2.613 1.999 3.284 . 0 0 "[ . 1 . 2]" 1
102 1 44 ILE HB 1 45 ASN H 1.800 . 5.000 4.139 3.529 4.444 . 0 0 "[ . 1 . 2]" 1
103 1 46 VAL HB 1 47 ASN H 1.800 . 5.000 3.679 2.692 4.231 . 0 0 "[ . 1 . 2]" 1
104 1 53 VAL HB 1 54 ASP H 1.800 . 5.000 3.258 2.843 3.443 . 0 0 "[ . 1 . 2]" 1
105 1 77 ILE HB 1 78 VAL H 1.800 . 5.000 4.190 4.103 4.302 . 0 0 "[ . 1 . 2]" 1
106 1 78 VAL HB 1 79 GLU H 1.800 . 5.000 2.214 2.003 2.442 . 0 0 "[ . 1 . 2]" 1
107 1 80 ILE HB 1 81 SER H 1.800 . 5.000 4.325 4.077 4.509 . 0 0 "[ . 1 . 2]" 1
108 1 83 ARG QB 1 84 VAL H 1.800 . 3.500 2.590 2.023 2.900 . 0 0 "[ . 1 . 2]" 1
109 1 84 VAL HB 1 85 VAL H 1.800 . 5.000 4.160 3.930 4.277 . 0 0 "[ . 1 . 2]" 1
110 1 85 VAL HB 1 86 THR H 1.800 . 5.000 2.998 2.637 3.260 . 0 0 "[ . 1 . 2]" 1
111 1 86 THR HB 1 87 LEU H 1.800 . 5.000 4.294 4.205 4.363 . 0 0 "[ . 1 . 2]" 1
112 1 10 THR MG 1 11 LEU H 1.800 . 5.000 3.014 2.500 3.407 . 0 0 "[ . 1 . 2]" 1
113 1 11 LEU HG 1 12 THR H 1.800 . 5.000 4.324 2.777 5.059 0.059 19 0 "[ . 1 . 2]" 1
114 1 11 LEU MD2 1 12 THR H 1.800 . 5.000 3.832 3.419 4.787 . 0 0 "[ . 1 . 2]" 1
115 1 12 THR MG 1 13 LEU H 1.800 . 5.000 3.221 2.857 3.986 . 0 0 "[ . 1 . 2]" 1
116 1 13 LEU MD2 1 14 SER H 1.800 . 5.000 3.661 3.381 4.901 . 0 0 "[ . 1 . 2]" 1
117 1 15 LEU HG 1 16 ILE H 1.800 . 5.000 3.097 2.723 3.688 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU MD1 1 16 ILE H 1.800 . 5.000 2.568 2.382 2.838 . 0 0 "[ . 1 . 2]" 1
119 1 16 ILE QG 1 17 ALA H 1.800 . 5.000 3.773 3.336 4.020 . 0 0 "[ . 1 . 2]" 1
120 1 16 ILE MG 1 17 ALA H 1.800 . 5.000 3.678 3.521 3.780 . 0 0 "[ . 1 . 2]" 1
121 1 16 ILE MD 1 17 ALA H 1.800 . 5.000 4.461 3.901 4.782 . 0 0 "[ . 1 . 2]" 1
122 1 18 LYS QG 1 19 ASN H 1.800 . 5.000 2.775 2.366 3.970 . 0 0 "[ . 1 . 2]" 1
123 1 25 MET QG 1 26 ILE H 1.800 . 5.000 2.829 2.503 3.255 . 0 0 "[ . 1 . 2]" 1
124 1 26 ILE QG 1 27 MET H 1.800 . 5.000 4.418 4.296 4.548 . 0 0 "[ . 1 . 2]" 1
125 1 26 ILE MG 1 27 MET H 1.800 . 5.000 3.048 2.590 3.385 . 0 0 "[ . 1 . 2]" 1
126 1 28 THR MG 1 29 LYS H 1.800 . 5.000 3.094 2.640 3.823 . 0 0 "[ . 1 . 2]" 1
127 1 29 LYS QG 1 30 LEU H 1.800 . 5.000 3.712 2.703 4.478 . 0 0 "[ . 1 . 2]" 1
128 1 31 PRO QG 1 32 SER H 1.800 . 5.000 3.803 3.328 4.475 . 0 0 "[ . 1 . 2]" 1
129 1 33 VAL MG1 1 34 ARG H 1.800 . 5.000 3.814 3.485 3.980 . 0 0 "[ . 1 . 2]" 1
130 1 33 VAL MG2 1 34 ARG H 1.800 . 5.000 3.137 2.105 3.939 . 0 0 "[ . 1 . 2]" 1
131 1 34 ARG QG 1 35 VAL H 1.800 . 5.000 3.970 3.000 4.511 . 0 0 "[ . 1 . 2]" 1
132 1 35 VAL MG1 1 36 LYS H 1.800 . 5.000 3.883 3.711 4.067 . 0 0 "[ . 1 . 2]" 1
133 1 36 LYS QG 1 37 THR H 1.800 . 5.000 2.946 2.299 4.635 . 0 0 "[ . 1 . 2]" 1
134 1 36 LYS QD 1 37 THR H 1.800 . 5.000 4.426 2.746 4.980 . 0 0 "[ . 1 . 2]" 1
135 1 37 THR MG 1 38 GLU H 1.800 . 5.000 3.584 3.418 3.834 . 0 0 "[ . 1 . 2]" 1
136 1 40 TYR QD 1 41 ASN H 1.800 . 5.000 3.796 2.968 4.668 . 0 0 "[ . 1 . 2]" 1
137 1 42 PRO QG 1 43 SER H 1.800 . 5.000 2.939 1.798 3.708 0.002 10 0 "[ . 1 . 2]" 1
138 1 42 PRO QD 1 43 SER H 1.800 . 5.000 2.287 1.972 2.888 . 0 0 "[ . 1 . 2]" 1
139 1 44 ILE QG 1 45 ASN H 1.800 . 5.000 4.215 3.908 4.750 . 0 0 "[ . 1 . 2]" 1
140 1 44 ILE MG 1 45 ASN H 1.800 . 5.000 2.652 1.872 3.257 . 0 0 "[ . 1 . 2]" 1
141 1 46 VAL MG1 1 47 ASN H 1.800 . 5.000 4.006 3.660 4.206 . 0 0 "[ . 1 . 2]" 1
142 1 46 VAL MG2 1 47 ASN H 1.800 . 5.000 3.105 2.174 4.026 . 0 0 "[ . 1 . 2]" 1
143 1 48 GLU QG 1 49 LEU H 1.800 . 5.000 4.059 3.566 4.342 . 0 0 "[ . 1 . 2]" 1
144 1 49 LEU MD1 1 50 PHE H 1.800 . 5.000 4.984 4.866 5.037 0.037 4 0 "[ . 1 . 2]" 1
145 1 49 LEU MD2 1 50 PHE H 1.800 . 5.000 3.645 3.540 3.850 . 0 0 "[ . 1 . 2]" 1
146 1 52 TYR QD 1 53 VAL H 1.800 . 5.000 3.924 3.254 4.390 . 0 0 "[ . 1 . 2]" 1
147 1 53 VAL MG1 1 54 ASP H 1.800 . 5.000 3.797 3.674 3.880 . 0 0 "[ . 1 . 2]" 1
148 1 53 VAL MG2 1 54 ASP H 1.800 . 5.000 4.087 3.832 4.226 . 0 0 "[ . 1 . 2]" 1
149 1 62 GLU QG 1 63 HIS H 1.800 . 5.000 3.883 3.104 4.519 . 0 0 "[ . 1 . 2]" 1
150 1 66 GLU QG 1 67 VAL H 1.800 . 5.000 3.665 2.443 4.412 . 0 0 "[ . 1 . 2]" 1
151 1 67 VAL MG1 1 68 LYS H 1.800 . 5.000 3.017 2.527 3.279 . 0 0 "[ . 1 . 2]" 1
152 1 67 VAL MG2 1 68 LYS H 1.800 . 5.000 4.133 3.980 4.214 . 0 0 "[ . 1 . 2]" 1
153 1 68 LYS QG 1 69 VAL H 1.800 . 5.000 4.035 3.155 4.450 . 0 0 "[ . 1 . 2]" 1
154 1 69 VAL MG1 1 70 GLU H 1.800 . 5.000 2.451 2.214 2.781 . 0 0 "[ . 1 . 2]" 1
155 1 69 VAL MG2 1 70 GLU H 1.800 . 5.000 4.030 3.946 4.131 . 0 0 "[ . 1 . 2]" 1
156 1 75 ILE MG 1 76 LYS H 1.800 . 5.000 2.482 1.975 2.829 . 0 0 "[ . 1 . 2]" 1
157 1 75 ILE MD 1 76 LYS H 1.800 . 5.000 4.333 3.449 5.018 0.018 6 0 "[ . 1 . 2]" 1
158 1 76 LYS QG 1 77 ILE H 1.800 . 5.000 3.303 2.401 4.257 . 0 0 "[ . 1 . 2]" 1
159 1 76 LYS QD 1 77 ILE H 1.800 . 5.000 4.932 4.488 5.068 0.068 15 0 "[ . 1 . 2]" 1
160 1 77 ILE QG 1 78 VAL H 1.800 . 5.000 2.626 2.297 2.932 . 0 0 "[ . 1 . 2]" 1
161 1 77 ILE MG 1 78 VAL H 1.800 . 5.000 3.940 3.629 4.138 . 0 0 "[ . 1 . 2]" 1
162 1 77 ILE MD 1 78 VAL H 1.800 . 5.000 4.299 3.985 4.592 . 0 0 "[ . 1 . 2]" 1
163 1 78 VAL MG1 1 79 GLU H 1.800 . 5.000 3.262 3.017 3.453 . 0 0 "[ . 1 . 2]" 1
164 1 78 VAL MG2 1 79 GLU H 1.800 . 5.000 3.572 3.488 3.653 . 0 0 "[ . 1 . 2]" 1
165 1 79 GLU QG 1 80 ILE H 1.800 . 5.000 3.426 2.070 4.592 . 0 0 "[ . 1 . 2]" 1
166 1 80 ILE MG 1 81 SER H 1.800 . 5.000 3.100 2.595 3.602 . 0 0 "[ . 1 . 2]" 1
167 1 84 VAL MG1 1 85 VAL H 1.800 . 5.000 2.698 2.351 2.909 . 0 0 "[ . 1 . 2]" 1
168 1 84 VAL MG2 1 85 VAL H 1.800 . 5.000 4.087 3.984 4.162 . 0 0 "[ . 1 . 2]" 1
169 1 85 VAL MG1 1 86 THR H 1.800 . 5.000 3.740 3.568 3.807 . 0 0 "[ . 1 . 2]" 1
170 1 85 VAL MG2 1 86 THR H 1.800 . 5.000 3.928 3.687 4.089 . 0 0 "[ . 1 . 2]" 1
171 1 86 THR MG 1 87 LEU H 1.800 . 5.000 3.162 2.945 3.400 . 0 0 "[ . 1 . 2]" 1
172 1 87 LEU MD2 1 88 GLN H 1.800 . 5.000 3.545 3.360 3.654 . 0 0 "[ . 1 . 2]" 1
173 1 88 GLN QG 1 89 LEU H 1.800 . 5.000 3.654 2.841 4.472 . 0 0 "[ . 1 . 2]" 1
174 1 89 LEU HG 1 90 GLU H 1.800 . 5.000 5.023 4.972 5.062 0.062 1 0 "[ . 1 . 2]" 1
175 1 89 LEU MD1 1 90 GLU H 1.800 . 5.000 4.870 4.458 5.056 0.056 19 0 "[ . 1 . 2]" 1
176 1 89 LEU MD2 1 90 GLU H 1.800 . 5.000 3.396 3.262 3.531 . 0 0 "[ . 1 . 2]" 1
177 1 8 ASP H 1 9 PRO QD 1.800 . 5.000 3.364 2.428 4.081 . 0 0 "[ . 1 . 2]" 1
178 1 15 LEU H 1 16 ILE MG 1.800 . 5.000 4.415 4.199 4.640 . 0 0 "[ . 1 . 2]" 1
179 1 24 SER H 1 25 MET QB 1.800 . 5.000 5.027 4.867 5.070 0.070 18 0 "[ . 1 . 2]" 1
180 1 41 ASN H 1 42 PRO QD 1.800 . 5.000 3.435 2.670 4.077 . 0 0 "[ . 1 . 2]" 1
181 1 43 SER H 1 44 ILE HB 1.800 . 5.000 4.599 4.284 5.014 0.014 8 0 "[ . 1 . 2]" 1
182 1 43 SER H 1 44 ILE QG 1.800 . 5.000 3.227 2.629 3.993 . 0 0 "[ . 1 . 2]" 1
183 1 48 GLU H 1 49 LEU HG 1.800 . 5.000 3.843 3.562 4.133 . 0 0 "[ . 1 . 2]" 1
184 1 48 GLU H 1 49 LEU MD2 1.800 . 5.000 4.819 4.369 5.013 0.013 1 0 "[ . 1 . 2]" 1
185 1 52 TYR H 1 53 VAL MG1 1.800 . 5.000 4.748 4.455 4.934 . 0 0 "[ . 1 . 2]" 1
186 1 83 ARG H 1 84 VAL MG2 1.800 . 5.000 4.239 3.938 4.764 . 0 0 "[ . 1 . 2]" 1
187 1 84 VAL H 1 85 VAL MG1 1.800 . 5.000 4.062 3.846 4.288 . 0 0 "[ . 1 . 2]" 1
188 1 22 ALA MB 1 24 SER H 1.800 . 5.000 4.396 4.182 4.632 . 0 0 "[ . 1 . 2]" 1
189 1 26 ILE HB 1 28 THR H 1.800 . 5.000 4.518 3.678 5.001 0.001 20 0 "[ . 1 . 2]" 1
190 1 45 ASN QB 1 47 ASN H 1.800 . 5.000 3.398 2.229 4.592 . 0 0 "[ . 1 . 2]" 1
191 1 82 PRO QB 1 84 VAL H 1.800 . 5.000 3.075 2.447 3.880 . 0 0 "[ . 1 . 2]" 1
192 1 10 THR MG 1 12 THR H 1.800 . 5.000 4.785 4.342 5.015 0.015 18 0 "[ . 1 . 2]" 1
193 1 26 ILE MG 1 28 THR H 1.800 . 5.000 2.455 1.781 2.982 0.019 2 0 "[ . 1 . 2]" 1
194 1 44 ILE MG 1 46 VAL H 1.800 . 5.000 4.026 2.666 5.013 0.013 2 0 "[ . 1 . 2]" 1
195 1 67 VAL MG1 1 69 VAL H 1.800 . 5.000 3.906 3.445 4.621 . 0 0 "[ . 1 . 2]" 1
196 1 77 ILE MG 1 79 GLU H 1.800 . 5.000 5.017 4.893 5.052 0.052 17 0 "[ . 1 . 2]" 1
197 1 77 ILE MD 1 79 GLU H 1.800 . 5.000 4.549 4.321 4.723 . 0 0 "[ . 1 . 2]" 1
198 1 84 VAL MG1 1 86 THR H 1.800 . 5.000 4.451 4.144 4.851 . 0 0 "[ . 1 . 2]" 1
199 1 17 ALA MB 1 20 THR H 1.800 . 5.000 3.994 3.404 4.311 . 0 0 "[ . 1 . 2]" 1
200 1 45 ASN QB 1 48 GLU H 1.800 . 5.000 3.042 2.150 3.677 . 0 0 "[ . 1 . 2]" 1
201 1 72 ILE HB 1 75 ILE H 1.800 . 5.000 3.771 2.974 4.567 . 0 0 "[ . 1 . 2]" 1
202 1 72 ILE MG 1 75 ILE H 1.800 . 5.000 2.814 1.793 3.623 0.007 6 0 "[ . 1 . 2]" 1
203 1 20 THR MG 1 24 SER H 1.800 . 5.000 4.217 3.644 4.998 . 0 0 "[ . 1 . 2]" 1
204 1 17 ALA HA 1 20 THR HB 1.800 . 5.000 5.017 4.732 5.117 0.117 14 0 "[ . 1 . 2]" 1
205 1 46 VAL HA 1 49 LEU QB 1.800 . 5.000 2.707 2.213 3.035 . 0 0 "[ . 1 . 2]" 1
206 1 46 VAL HA 1 49 LEU HG 1.800 . 5.000 3.168 2.252 3.671 . 0 0 "[ . 1 . 2]" 1
207 1 46 VAL HA 1 49 LEU MD1 1.800 . 5.000 2.651 1.947 3.375 . 0 0 "[ . 1 . 2]" 1
208 1 46 VAL HA 1 49 LEU MD2 1.800 . 5.000 4.579 3.864 4.934 . 0 0 "[ . 1 . 2]" 1
209 1 11 LEU H 1 35 VAL H 1.800 . 5.000 3.471 3.194 3.852 . 0 0 "[ . 1 . 2]" 1
210 1 13 LEU H 1 33 VAL H 1.800 . 5.000 3.313 3.097 3.535 . 0 0 "[ . 1 . 2]" 1
211 1 15 LEU H 1 33 VAL H 1.800 . 5.000 3.994 3.510 4.372 . 0 0 "[ . 1 . 2]" 1
212 1 16 ILE H 1 53 VAL H 1.800 . 5.000 3.933 3.758 4.103 . 0 0 "[ . 1 . 2]" 1
213 1 18 LYS H 1 53 VAL H 1.800 . 5.000 3.060 2.622 3.530 . 0 0 "[ . 1 . 2]" 1
214 1 18 LYS H 1 55 LEU H 1.800 . 5.000 3.955 3.489 4.843 . 0 0 "[ . 1 . 2]" 1
215 1 25 MET H 1 92 HIS H 1.800 . 5.000 3.719 3.071 4.893 . 0 0 "[ . 1 . 2]" 1
216 1 28 THR H 1 88 GLN H 1.800 . 5.000 3.486 2.850 4.752 . 0 0 "[ . 1 . 2]" 1
217 1 36 LYS H 1 79 GLU H 1.800 . 5.000 2.737 2.539 3.076 . 0 0 "[ . 1 . 2]" 1
218 1 52 TYR H 1 68 LYS H 1.800 . 5.000 3.377 3.143 3.779 . 0 0 "[ . 1 . 2]" 1
219 1 54 ASP H 1 66 GLU H 1.800 . 5.000 4.891 4.375 5.045 0.045 3 0 "[ . 1 . 2]" 1
220 1 63 HIS H 1 87 LEU H 1.800 . 5.000 3.373 3.054 3.686 . 0 0 "[ . 1 . 2]" 1
221 1 65 TYR H 1 85 VAL H 1.800 . 3.500 3.144 2.820 3.382 . 0 0 "[ . 1 . 2]" 1
222 1 65 TYR H 1 86 THR H 1.800 . 5.000 4.797 4.576 4.976 . 0 0 "[ . 1 . 2]" 1
223 1 67 VAL H 1 85 VAL H 1.800 . 5.000 4.023 3.844 4.376 . 0 0 "[ . 1 . 2]" 1
224 1 10 THR HA 1 35 VAL H 1.800 . 5.000 4.797 4.379 5.020 0.020 4 0 "[ . 1 . 2]" 1
225 1 10 THR HA 1 37 THR H 1.800 . 5.000 3.127 2.645 3.641 . 0 0 "[ . 1 . 2]" 1
226 1 12 THR HA 1 35 VAL H 1.800 . 5.000 3.465 2.955 3.731 . 0 0 "[ . 1 . 2]" 1
227 1 14 SER HA 1 32 SER H 1.800 . 5.000 4.914 4.172 5.045 0.045 5 0 "[ . 1 . 2]" 1
228 1 14 SER HA 1 33 VAL H 1.800 . 5.000 3.435 2.856 3.817 . 0 0 "[ . 1 . 2]" 1
229 1 15 LEU HA 1 51 ALA H 1.800 . 5.000 3.298 2.980 3.685 . 0 0 "[ . 1 . 2]" 1
230 1 17 ALA HA 1 53 VAL H 1.800 . 5.000 3.293 2.743 3.854 . 0 0 "[ . 1 . 2]" 1
231 1 24 SER HA 1 92 HIS H 1.800 . 5.000 3.478 2.615 4.499 . 0 0 "[ . 1 . 2]" 1
232 1 26 ILE HA 1 90 GLU H 1.800 . 5.000 3.584 3.189 4.049 . 0 0 "[ . 1 . 2]" 1
233 1 37 THR HA 1 78 VAL H 1.800 . 3.500 2.498 2.328 2.709 . 0 0 "[ . 1 . 2]" 1
234 1 39 GLY QA 1 76 LYS H 1.800 . 5.000 3.618 3.244 4.105 . 0 0 "[ . 1 . 2]" 1
235 1 51 ALA HA 1 70 GLU H 1.800 . 5.000 3.085 2.636 3.312 . 0 0 "[ . 1 . 2]" 1
236 1 62 GLU HA 1 87 LEU H 1.800 . 5.000 4.631 4.192 4.938 . 0 0 "[ . 1 . 2]" 1
237 1 62 GLU HA 1 89 LEU H 1.800 . 5.000 3.269 2.354 3.694 . 0 0 "[ . 1 . 2]" 1
238 1 63 HIS HA 1 87 LEU H 1.800 . 5.000 4.897 4.603 5.021 0.021 19 0 "[ . 1 . 2]" 1
239 1 64 ASP HA 1 85 VAL H 1.800 . 5.000 4.530 4.130 5.008 0.008 12 0 "[ . 1 . 2]" 1
240 1 64 ASP HA 1 87 LEU H 1.800 . 5.000 3.180 2.667 3.944 . 0 0 "[ . 1 . 2]" 1
241 1 66 GLU HA 1 85 VAL H 1.800 . 5.000 3.644 3.177 3.991 . 0 0 "[ . 1 . 2]" 1
242 1 11 LEU H 1 34 ARG HA 1.800 . 5.000 4.853 4.493 5.029 0.029 16 0 "[ . 1 . 2]" 1
243 1 11 LEU H 1 36 LYS HA 1.800 . 5.000 3.205 2.468 3.819 . 0 0 "[ . 1 . 2]" 1
244 1 13 LEU H 1 34 ARG HA 1.800 . 5.000 3.584 3.049 4.061 . 0 0 "[ . 1 . 2]" 1
245 1 15 LEU H 1 32 SER HA 1.800 . 5.000 2.776 2.390 3.132 . 0 0 "[ . 1 . 2]" 1
246 1 16 ILE H 1 52 TYR HA 1.800 . 5.000 2.453 2.120 3.031 . 0 0 "[ . 1 . 2]" 1
247 1 18 LYS H 1 54 ASP HA 1.800 . 5.000 3.848 3.403 4.430 . 0 0 "[ . 1 . 2]" 1
248 1 25 MET H 1 89 LEU HA 1.800 . 5.000 4.238 3.741 4.561 . 0 0 "[ . 1 . 2]" 1
249 1 25 MET H 1 91 HIS HA 1.800 . 5.000 3.792 3.066 4.413 . 0 0 "[ . 1 . 2]" 1
250 1 27 MET H 1 89 LEU HA 1.800 . 5.000 3.288 2.924 4.151 . 0 0 "[ . 1 . 2]" 1
251 1 36 LYS H 1 79 GLU HA 1.800 . 5.000 4.541 4.310 4.972 . 0 0 "[ . 1 . 2]" 1
252 1 38 GLU H 1 77 ILE HA 1.800 . 5.000 3.628 3.204 4.002 . 0 0 "[ . 1 . 2]" 1
253 1 40 TYR H 1 75 ILE HA 1.800 . 5.000 4.759 4.399 5.054 0.054 1 0 "[ . 1 . 2]" 1
254 1 52 TYR H 1 69 VAL HA 1.800 . 5.000 3.282 3.021 3.536 . 0 0 "[ . 1 . 2]" 1
255 1 61 GLY H 1 90 GLU HA 1.800 . 5.000 3.952 3.445 5.000 0.000 6 0 "[ . 1 . 2]" 1
256 1 63 HIS H 1 86 THR HA 1.800 . 5.000 4.480 3.826 4.674 . 0 0 "[ . 1 . 2]" 1
257 1 63 HIS H 1 88 GLN HA 1.800 . 5.000 3.436 2.946 3.859 . 0 0 "[ . 1 . 2]" 1
258 1 65 TYR H 1 84 VAL HA 1.800 . 5.000 4.614 4.004 5.015 0.015 5 0 "[ . 1 . 2]" 1
259 1 65 TYR H 1 86 THR HA 1.800 . 5.000 3.329 2.903 3.737 . 0 0 "[ . 1 . 2]" 1
260 1 67 VAL H 1 83 ARG HA 1.800 . 5.000 3.777 3.159 4.228 . 0 0 "[ . 1 . 2]" 1
261 1 67 VAL H 1 84 VAL HA 1.800 . 3.500 2.955 2.376 3.509 0.009 19 0 "[ . 1 . 2]" 1
262 1 8 ASP HA 1 38 GLU HA 1.800 . 5.000 2.943 2.018 4.383 . 0 0 "[ . 1 . 2]" 1
263 1 10 THR HA 1 36 LYS HA 1.800 . 3.500 2.137 1.756 2.707 0.044 2 0 "[ . 1 . 2]" 1
264 1 12 THR HA 1 34 ARG HA 1.800 . 5.000 2.435 2.176 2.952 . 0 0 "[ . 1 . 2]" 1
265 1 24 SER HA 1 91 HIS HA 1.800 . 5.000 3.411 2.342 4.284 . 0 0 "[ . 1 . 2]" 1
266 1 26 ILE HA 1 89 LEU HA 1.800 . 5.000 2.650 2.418 3.124 . 0 0 "[ . 1 . 2]" 1
267 1 37 THR HA 1 77 ILE HA 1.800 . 5.000 2.467 2.266 2.769 . 0 0 "[ . 1 . 2]" 1
268 1 39 GLY QA 1 75 ILE HA 1.800 . 5.000 3.266 2.291 3.892 . 0 0 "[ . 1 . 2]" 1
269 1 51 ALA HA 1 69 VAL HA 1.800 . 5.000 2.117 1.866 2.613 . 0 0 "[ . 1 . 2]" 1
270 1 62 GLU HA 1 88 GLN HA 1.800 . 3.500 2.068 1.793 2.533 0.007 20 0 "[ . 1 . 2]" 1
271 1 64 ASP HA 1 86 THR HA 1.800 . 3.500 2.088 1.780 2.674 0.020 13 0 "[ . 1 . 2]" 1
272 1 66 GLU HA 1 84 VAL HA 1.800 . 5.000 2.518 2.094 2.970 . 0 0 "[ . 1 . 2]" 1
273 1 35 VAL HA 1 80 ILE HA 1.800 . 5.000 3.100 2.457 3.721 . 0 0 "[ . 1 . 2]" 1
274 1 10 THR MG 1 35 VAL H 1.800 . 5.000 3.481 3.037 3.958 . 0 0 "[ . 1 . 2]" 1
275 1 10 THR MG 1 37 THR H 1.800 . 5.000 4.626 4.208 5.014 0.014 5 0 "[ . 1 . 2]" 1
276 1 12 THR MG 1 33 VAL H 1.800 . 5.000 3.916 3.495 5.031 0.031 16 0 "[ . 1 . 2]" 1
277 1 13 LEU QB 1 33 VAL H 1.800 . 5.000 3.672 3.443 3.895 . 0 0 "[ . 1 . 2]" 1
278 1 13 LEU QB 1 51 ALA H 1.800 . 5.000 3.070 2.695 3.477 . 0 0 "[ . 1 . 2]" 1
279 1 13 LEU MD1 1 50 PHE H 1.800 . 5.000 3.741 3.298 4.528 . 0 0 "[ . 1 . 2]" 1
280 1 13 LEU MD1 1 51 ALA H 1.800 . 5.000 3.995 3.654 4.634 . 0 0 "[ . 1 . 2]" 1
281 1 13 LEU MD2 1 51 ALA H 1.800 . 5.000 4.869 4.369 5.022 0.022 18 0 "[ . 1 . 2]" 1
282 1 15 LEU QB 1 33 VAL H 1.800 . 5.000 3.979 3.757 4.335 . 0 0 "[ . 1 . 2]" 1
283 1 15 LEU MD1 1 52 TYR H 1.800 . 5.000 3.562 3.110 3.992 . 0 0 "[ . 1 . 2]" 1
284 1 15 LEU MD1 1 53 VAL H 1.800 . 5.000 3.249 2.910 3.735 . 0 0 "[ . 1 . 2]" 1
285 1 16 ILE QG 1 53 VAL H 1.800 . 5.000 3.611 3.317 3.996 . 0 0 "[ . 1 . 2]" 1
286 1 18 LYS QB 1 55 LEU H 1.800 . 5.000 4.033 3.473 5.031 0.031 11 0 "[ . 1 . 2]" 1
287 1 19 ASN QB 1 56 SER H 1.800 . 5.000 3.795 2.548 4.994 . 0 0 "[ . 1 . 2]" 1
288 1 20 THR MG 1 26 ILE H 1.800 . 5.000 4.392 3.904 4.982 . 0 0 "[ . 1 . 2]" 1
289 1 21 PRO QG 1 58 SER H 1.800 . 5.000 3.977 2.327 5.030 0.030 19 0 "[ . 1 . 2]" 1
290 1 23 ASN QB 1 92 HIS H 1.800 . 5.000 3.970 2.272 4.905 . 0 0 "[ . 1 . 2]" 1
291 1 25 MET QB 1 90 GLU H 1.800 . 5.000 3.357 2.873 3.691 . 0 0 "[ . 1 . 2]" 1
292 1 25 MET QG 1 90 GLU H 1.800 . 5.000 4.307 3.867 4.562 . 0 0 "[ . 1 . 2]" 1
293 1 26 ILE QG 1 90 GLU H 1.800 . 5.000 4.925 4.543 5.042 0.042 5 0 "[ . 1 . 2]" 1
294 1 26 ILE MG 1 88 GLN H 1.800 . 5.000 3.719 3.021 4.438 . 0 0 "[ . 1 . 2]" 1
295 1 28 THR HB 1 88 GLN H 1.800 . 5.000 3.113 2.746 4.098 . 0 0 "[ . 1 . 2]" 1
296 1 28 THR MG 1 88 GLN H 1.800 . 5.000 3.400 2.373 4.149 . 0 0 "[ . 1 . 2]" 1
297 1 35 VAL MG1 1 79 GLU H 1.800 . 5.000 4.818 4.456 5.012 0.012 3 0 "[ . 1 . 2]" 1
298 1 36 LYS QB 1 78 VAL H 1.800 . 5.000 3.985 3.531 4.594 . 0 0 "[ . 1 . 2]" 1
299 1 37 THR HB 1 76 LYS H 1.800 . 5.000 4.185 3.558 4.941 . 0 0 "[ . 1 . 2]" 1
300 1 37 THR HB 1 78 VAL H 1.800 . 5.000 4.796 4.524 5.021 0.021 4 0 "[ . 1 . 2]" 1
301 1 37 THR MG 1 78 VAL H 1.800 . 5.000 3.253 3.001 3.659 . 0 0 "[ . 1 . 2]" 1
302 1 38 GLU QB 1 76 LYS H 1.800 . 5.000 3.578 2.978 4.627 . 0 0 "[ . 1 . 2]" 1
303 1 52 TYR QD 1 70 GLU H 1.800 . 5.000 3.908 3.181 4.923 . 0 0 "[ . 1 . 2]" 1
304 1 52 TYR QE 1 70 GLU H 1.800 . 5.000 3.629 2.634 4.807 . 0 0 "[ . 1 . 2]" 1
305 1 53 VAL MG1 1 66 GLU H 1.800 . 5.000 4.207 3.772 4.681 . 0 0 "[ . 1 . 2]" 1
306 1 53 VAL MG1 1 68 LYS H 1.800 . 5.000 3.413 3.152 3.709 . 0 0 "[ . 1 . 2]" 1
307 1 65 TYR QD 1 87 LEU H 1.800 . 5.000 2.862 2.391 3.444 . 0 0 "[ . 1 . 2]" 1
308 1 65 TYR QE 1 87 LEU H 1.800 . 5.000 3.913 2.432 4.497 . 0 0 "[ . 1 . 2]" 1
309 1 67 VAL MG2 1 84 VAL H 1.800 . 5.000 3.983 3.483 4.434 . 0 0 "[ . 1 . 2]" 1
310 1 67 VAL MG2 1 85 VAL H 1.800 . 5.000 3.032 2.744 3.394 . 0 0 "[ . 1 . 2]" 1
311 1 11 LEU H 1 35 VAL HB 1.800 . 5.000 4.931 4.712 5.024 0.024 5 0 "[ . 1 . 2]" 1
312 1 11 LEU H 1 35 VAL MG2 1.800 . 5.000 2.966 2.594 3.447 . 0 0 "[ . 1 . 2]" 1
313 1 11 LEU H 1 37 THR MG 1.800 . 5.000 3.703 3.325 4.151 . 0 0 "[ . 1 . 2]" 1
314 1 13 LEU H 1 33 VAL HB 1.800 . 5.000 4.893 4.682 5.024 0.024 12 0 "[ . 1 . 2]" 1
315 1 17 ALA H 1 26 ILE MD 1.800 . 5.000 4.477 4.157 4.917 . 0 0 "[ . 1 . 2]" 1
316 1 17 ALA H 1 30 LEU MD1 1.800 . 5.000 2.861 2.195 4.299 . 0 0 "[ . 1 . 2]" 1
317 1 17 ALA H 1 30 LEU MD2 1.800 . 5.000 4.573 3.782 5.013 0.013 7 0 "[ . 1 . 2]" 1
318 1 18 LYS H 1 52 TYR QB 1.800 . 5.000 3.563 2.916 4.558 . 0 0 "[ . 1 . 2]" 1
319 1 18 LYS H 1 53 VAL MG2 1.800 . 5.000 2.922 2.638 3.302 . 0 0 "[ . 1 . 2]" 1
320 1 18 LYS H 1 55 LEU MD1 1.800 . 5.000 4.168 3.155 5.017 0.017 12 0 "[ . 1 . 2]" 1
321 1 20 THR H 1 55 LEU QB 1.800 . 5.000 3.946 3.063 4.672 . 0 0 "[ . 1 . 2]" 1
322 1 23 ASN H 1 92 HIS QB 1.800 . 5.000 4.371 3.176 5.013 0.013 7 0 "[ . 1 . 2]" 1
323 1 25 MET H 1 89 LEU MD1 1.800 . 5.000 4.938 4.625 5.026 0.026 12 0 "[ . 1 . 2]" 1
324 1 25 MET H 1 89 LEU MD2 1.800 . 5.000 3.772 3.415 4.176 . 0 0 "[ . 1 . 2]" 1
325 1 27 MET H 1 88 GLN QB 1.800 . 5.000 3.686 2.931 4.504 . 0 0 "[ . 1 . 2]" 1
326 1 28 THR H 1 88 GLN QB 1.800 . 5.000 3.159 2.634 4.372 . 0 0 "[ . 1 . 2]" 1
327 1 34 ARG H 1 81 SER QB 1.800 . 5.000 3.939 3.157 5.008 0.008 7 0 "[ . 1 . 2]" 1
328 1 34 ARG H 1 82 PRO QD 1.800 . 5.000 3.278 2.809 3.594 . 0 0 "[ . 1 . 2]" 1
329 1 36 LYS H 1 78 VAL MG1 1.800 . 5.000 4.988 4.791 5.072 0.072 19 0 "[ . 1 . 2]" 1
330 1 36 LYS H 1 78 VAL MG2 1.800 . 5.000 5.028 4.878 5.107 0.107 19 0 "[ . 1 . 2]" 1
331 1 37 THR H 1 78 VAL MG2 1.800 . 5.000 3.993 3.569 4.185 . 0 0 "[ . 1 . 2]" 1
332 1 38 GLU H 1 75 ILE MG 1.800 . 5.000 2.980 2.261 3.619 . 0 0 "[ . 1 . 2]" 1
333 1 38 GLU H 1 78 VAL MG2 1.800 . 5.000 2.805 2.256 3.480 . 0 0 "[ . 1 . 2]" 1
334 1 40 TYR H 1 75 ILE QG 1.800 . 5.000 4.032 3.079 5.012 0.012 13 0 "[ . 1 . 2]" 1
335 1 40 TYR H 1 75 ILE MD 1.800 . 5.000 3.437 2.162 4.568 . 0 0 "[ . 1 . 2]" 1
336 1 41 ASN H 1 75 ILE MD 1.800 . 5.000 3.835 2.973 4.922 . 0 0 "[ . 1 . 2]" 1
337 1 50 PHE H 1 70 GLU QB 1.800 . 5.000 2.853 2.172 3.490 . 0 0 "[ . 1 . 2]" 1
338 1 52 TYR H 1 67 VAL MG1 1.800 . 5.000 3.875 3.488 4.424 . 0 0 "[ . 1 . 2]" 1
339 1 52 TYR H 1 69 VAL MG2 1.800 . 5.000 4.330 3.890 4.702 . 0 0 "[ . 1 . 2]" 1
340 1 61 GLY H 1 89 LEU QB 1.800 . 4.500 2.549 1.772 3.105 0.028 10 0 "[ . 1 . 2]" 1
341 1 61 GLY H 1 89 LEU HG 1.800 . 5.000 4.721 3.890 5.037 0.037 8 0 "[ . 1 . 2]" 1
342 1 61 GLY H 1 89 LEU MD1 1.800 . 5.000 4.308 2.833 5.007 0.007 12 0 "[ . 1 . 2]" 1
343 1 63 HIS H 1 65 TYR QE 1.800 . 5.000 3.475 2.875 4.042 . 0 0 "[ . 1 . 2]" 1
344 1 63 HIS H 1 86 THR MG 1.800 . 5.000 3.474 3.118 3.816 . 0 0 "[ . 1 . 2]" 1
345 1 65 TYR H 1 84 VAL MG1 1.800 . 5.000 3.147 2.750 3.868 . 0 0 "[ . 1 . 2]" 1
346 1 65 TYR H 1 85 VAL MG2 1.800 . 5.000 3.142 2.882 3.492 . 0 0 "[ . 1 . 2]" 1
347 1 7 ARG HA 1 40 TYR QD 1.800 . 5.000 4.365 3.047 5.034 0.034 8 0 "[ . 1 . 2]" 1
348 1 9 PRO QD 1 38 GLU HA 1.800 . 5.000 3.324 2.593 4.121 . 0 0 "[ . 1 . 2]" 1
349 1 10 THR HA 1 36 LYS QG 1.800 . 5.000 3.403 2.260 4.298 . 0 0 "[ . 1 . 2]" 1
350 1 10 THR MG 1 34 ARG HA 1.800 . 5.000 3.557 3.013 4.320 . 0 0 "[ . 1 . 2]" 1
351 1 12 THR MG 1 34 ARG HA 1.800 . 5.000 3.475 2.883 4.666 . 0 0 "[ . 1 . 2]" 1
352 1 13 LEU QB 1 50 PHE HA 1.800 . 5.000 2.618 2.180 3.221 . 0 0 "[ . 1 . 2]" 1
353 1 13 LEU MD1 1 50 PHE HA 1.800 . 5.000 3.273 2.279 3.794 . 0 0 "[ . 1 . 2]" 1
354 1 13 LEU MD2 1 50 PHE HA 1.800 . 5.000 3.526 2.610 4.958 . 0 0 "[ . 1 . 2]" 1
355 1 15 LEU HA 1 51 ALA MB 1.800 . 5.000 2.549 2.202 2.828 . 0 0 "[ . 1 . 2]" 1
356 1 15 LEU MD2 1 30 LEU HA 1.800 . 5.000 3.014 2.637 3.410 . 0 0 "[ . 1 . 2]" 1
357 1 15 LEU MD1 1 52 TYR HA 1.800 . 5.000 2.755 2.298 3.466 . 0 0 "[ . 1 . 2]" 1
358 1 16 ILE HA 1 30 LEU MD1 1.800 . 5.000 2.614 1.918 4.150 . 0 0 "[ . 1 . 2]" 1
359 1 16 ILE QG 1 52 TYR HA 1.800 . 5.000 2.411 2.160 2.710 . 0 0 "[ . 1 . 2]" 1
360 1 17 ALA HA 1 53 VAL MG2 1.800 . 5.000 2.355 1.959 2.834 . 0 0 "[ . 1 . 2]" 1
361 1 17 ALA HA 1 55 LEU MD1 1.800 . 5.000 3.652 2.498 4.248 . 0 0 "[ . 1 . 2]" 1
362 1 17 ALA HA 1 55 LEU MD2 1.800 . 5.000 4.818 4.321 5.016 0.016 12 0 "[ . 1 . 2]" 1
363 1 17 ALA HA 1 87 LEU MD1 1.800 . 5.000 4.916 4.613 5.028 0.028 19 0 "[ . 1 . 2]" 1
364 1 18 LYS QB 1 54 ASP HA 1.800 . 5.000 2.844 2.087 3.913 . 0 0 "[ . 1 . 2]" 1
365 1 19 ASN QB 1 56 SER HA 1.800 . 5.000 3.717 2.568 4.530 . 0 0 "[ . 1 . 2]" 1
366 1 20 THR HA 1 24 SER HG 1.800 . 5.000 4.459 3.920 5.003 0.003 15 0 "[ . 1 . 2]" 1
367 1 20 THR HA 1 55 LEU QB 1.800 . 5.000 2.228 1.879 2.682 . 0 0 "[ . 1 . 2]" 1
368 1 20 THR HA 1 55 LEU MD1 1.800 . 5.000 3.353 2.479 4.688 . 0 0 "[ . 1 . 2]" 1
369 1 20 THR HA 1 55 LEU MD2 1.800 . 5.000 4.608 3.187 5.024 0.024 10 0 "[ . 1 . 2]" 1
370 1 20 THR MG 1 25 MET HA 1.800 . 5.000 4.395 3.790 5.032 0.032 20 0 "[ . 1 . 2]" 1
371 1 21 PRO QG 1 56 SER HA 1.800 . 5.000 4.086 2.753 5.019 0.019 5 0 "[ . 1 . 2]" 1
372 1 25 MET ME 1 27 MET HA 1.800 . 5.000 4.341 3.212 5.037 0.037 9 0 "[ . 1 . 2]" 1
373 1 25 MET ME 1 92 HIS HA 1.800 . 5.000 3.497 2.666 5.030 0.030 18 0 "[ . 1 . 2]" 1
374 1 26 ILE HA 1 89 LEU HG 1.800 . 5.000 4.507 4.211 5.035 0.035 7 0 "[ . 1 . 2]" 1
375 1 26 ILE HA 1 89 LEU MD2 1.800 . 5.000 2.190 1.898 2.851 . 0 0 "[ . 1 . 2]" 1
376 1 26 ILE QG 1 89 LEU HA 1.800 . 5.000 3.952 3.615 4.159 . 0 0 "[ . 1 . 2]" 1
377 1 26 ILE MG 1 89 LEU HA 1.800 . 5.000 3.884 3.591 4.282 . 0 0 "[ . 1 . 2]" 1
378 1 28 THR HB 1 87 LEU HA 1.800 . 5.000 3.341 2.664 4.952 . 0 0 "[ . 1 . 2]" 1
379 1 28 THR MG 1 87 LEU HA 1.800 . 5.000 3.171 2.586 4.439 . 0 0 "[ . 1 . 2]" 1
380 1 33 VAL HA 1 67 VAL MG1 1.800 . 5.000 4.812 4.350 5.031 0.031 16 0 "[ . 1 . 2]" 1
381 1 33 VAL HA 1 82 PRO QD 1.800 . 5.000 2.623 2.204 3.294 . 0 0 "[ . 1 . 2]" 1
382 1 33 VAL MG1 1 51 ALA HA 1.800 . 5.000 4.695 3.959 5.039 0.039 17 0 "[ . 1 . 2]" 1
383 1 35 VAL MG1 1 80 ILE HA 1.800 . 5.000 1.792 1.760 1.875 0.040 20 0 "[ . 1 . 2]" 1
384 1 37 THR HA 1 78 VAL MG1 1.800 . 5.000 4.942 4.532 5.048 0.048 15 0 "[ . 1 . 2]" 1
385 1 37 THR HA 1 78 VAL MG2 1.800 . 5.000 2.351 1.972 2.540 . 0 0 "[ . 1 . 2]" 1
386 1 37 THR MG 1 77 ILE HA 1.800 . 5.000 2.078 1.792 2.765 0.008 9 0 "[ . 1 . 2]" 1
387 1 39 GLY QA 1 75 ILE MD 1.800 . 5.000 3.329 1.966 4.873 . 0 0 "[ . 1 . 2]" 1
388 1 40 TYR HA 1 75 ILE MD 1.800 . 5.000 4.033 3.455 5.004 0.004 10 0 "[ . 1 . 2]" 1
389 1 44 ILE MG 1 46 VAL HA 1.800 . 5.000 3.794 3.256 4.683 . 0 0 "[ . 1 . 2]" 1
390 1 51 ALA HA 1 69 VAL MG1 1.800 . 5.000 3.350 3.113 3.950 . 0 0 "[ . 1 . 2]" 1
391 1 51 ALA HA 1 69 VAL MG2 1.800 . 5.000 3.300 2.957 3.986 . 0 0 "[ . 1 . 2]" 1
392 1 53 VAL MG1 1 67 VAL HA 1.800 . 5.000 2.445 1.953 2.723 . 0 0 "[ . 1 . 2]" 1
393 1 55 LEU HA 1 65 TYR QE 1.800 . 5.000 3.539 2.793 4.328 . 0 0 "[ . 1 . 2]" 1
394 1 58 SER HA 1 89 LEU MD1 1.800 . 5.000 3.530 2.408 5.009 0.009 4 0 "[ . 1 . 2]" 1
395 1 60 PRO HA 1 89 LEU QB 1.800 . 4.500 2.289 1.783 2.654 0.017 11 0 "[ . 1 . 2]" 1
396 1 60 PRO HA 1 89 LEU MD2 1.800 . 5.000 4.732 4.265 5.035 0.035 8 0 "[ . 1 . 2]" 1
397 1 60 PRO QB 1 90 GLU HA 1.800 . 5.000 3.567 1.987 4.899 . 0 0 "[ . 1 . 2]" 1
398 1 62 GLU HA 1 88 GLN QG 1.800 . 5.000 3.397 2.788 4.657 . 0 0 "[ . 1 . 2]" 1
399 1 62 GLU QB 1 88 GLN HA 1.800 . 5.000 3.644 2.588 4.061 . 0 0 "[ . 1 . 2]" 1
400 1 64 ASP HA 1 84 VAL MG1 1.800 . 5.000 3.377 3.049 3.760 . 0 0 "[ . 1 . 2]" 1
401 1 65 TYR HA 1 84 VAL MG1 1.800 . 5.000 3.870 3.410 4.695 . 0 0 "[ . 1 . 2]" 1
402 1 66 GLU HA 1 84 VAL MG2 1.800 . 5.000 2.854 2.090 3.613 . 0 0 "[ . 1 . 2]" 1
403 1 67 VAL MG2 1 84 VAL HA 1.800 . 5.000 3.031 2.401 3.700 . 0 0 "[ . 1 . 2]" 1
404 1 71 PRO HA 1 77 ILE MG 1.800 . 5.000 4.459 3.156 5.014 0.014 15 0 "[ . 1 . 2]" 1
405 1 71 PRO HA 1 77 ILE MD 1.800 . 5.000 4.568 3.154 5.021 0.021 17 0 "[ . 1 . 2]" 1
406 1 80 ILE MG 1 83 ARG HA 1.800 . 5.000 2.503 2.207 2.914 . 0 0 "[ . 1 . 2]" 1
407 1 84 VAL MG1 1 86 THR HA 1.800 . 5.000 4.326 4.021 4.567 . 0 0 "[ . 1 . 2]" 1
408 1 8 ASP QB 1 36 LYS QD 1.800 . 5.000 4.117 3.288 4.887 . 0 0 "[ . 1 . 2]" 1
409 1 9 PRO QD 1 41 ASN QD 1.800 . 5.000 4.275 2.940 5.044 0.044 9 0 "[ . 1 . 2]" 1
410 1 9 PRO QD 1 75 ILE MD 1.800 . 5.000 4.757 4.069 5.039 0.039 19 0 "[ . 1 . 2]" 1
411 1 10 THR MG 1 34 ARG QB 1.800 . 5.000 2.830 2.068 3.947 . 0 0 "[ . 1 . 2]" 1
412 1 10 THR MG 1 34 ARG QG 1.800 . 5.000 3.154 1.786 4.202 0.014 4 0 "[ . 1 . 2]" 1
413 1 10 THR MG 1 34 ARG QD 1.800 . 5.000 3.332 2.358 4.658 . 0 0 "[ . 1 . 2]" 1
414 1 10 THR MG 1 34 ARG HE 1.800 . 5.000 3.828 2.604 5.067 0.067 5 0 "[ . 1 . 2]" 1
415 1 10 THR MG 1 36 LYS QG 1.800 . 5.000 3.586 2.769 4.508 . 0 0 "[ . 1 . 2]" 1
416 1 11 LEU QB 1 35 VAL MG2 1.800 . 5.000 2.103 1.742 2.533 0.058 5 0 "[ . 1 . 2]" 1
417 1 11 LEU QB 1 37 THR MG 1.800 . 5.000 3.223 2.575 3.701 . 0 0 "[ . 1 . 2]" 1
418 1 11 LEU MD1 1 37 THR MG 1.800 . 5.000 3.098 1.929 4.998 . 0 0 "[ . 1 . 2]" 1
419 1 11 LEU MD2 1 46 VAL HB 1.800 . 5.000 3.753 1.997 5.025 0.025 4 0 "[ . 1 . 2]" 1
420 1 12 THR MG 1 32 SER QB 1.800 . 5.000 2.177 1.800 3.137 . 0 0 "[ . 1 . 2]" 1
421 1 12 THR MG 1 34 ARG QG 1.800 . 5.000 2.871 1.916 4.876 . 0 0 "[ . 1 . 2]" 1
422 1 13 LEU QB 1 33 VAL MG1 1.800 . 5.000 3.286 1.876 4.236 . 0 0 "[ . 1 . 2]" 1
423 1 13 LEU QB 1 35 VAL MG2 1.800 . 5.000 3.891 3.309 4.346 . 0 0 "[ . 1 . 2]" 1
424 1 13 LEU HG 1 35 VAL MG2 1.800 . 5.000 2.941 2.337 4.165 . 0 0 "[ . 1 . 2]" 1
425 1 13 LEU MD2 1 49 LEU QB 1.800 . 5.000 2.383 1.780 3.769 0.020 18 0 "[ . 1 . 2]" 1
426 1 13 LEU MD1 1 35 VAL MG2 1.800 . 5.000 2.746 2.170 3.913 . 0 0 "[ . 1 . 2]" 1
427 1 13 LEU MD1 1 49 LEU QB 1.800 . 5.000 2.551 1.901 3.229 . 0 0 "[ . 1 . 2]" 1
428 1 13 LEU MD1 1 51 ALA MB 1.800 . 5.000 3.166 2.659 4.581 . 0 0 "[ . 1 . 2]" 1
429 1 13 LEU MD1 1 69 VAL MG1 1.800 . 5.000 2.229 1.888 3.915 . 0 0 "[ . 1 . 2]" 1
430 1 14 SER QB 1 50 PHE QD 1.800 . 5.000 2.757 1.978 4.086 . 0 0 "[ . 1 . 2]" 1
431 1 14 SER QB 1 50 PHE QE 1.800 . 5.000 3.173 2.303 4.427 . 0 0 "[ . 1 . 2]" 1
432 1 15 LEU QB 1 30 LEU MD1 1.800 . 5.000 3.503 2.822 4.242 . 0 0 "[ . 1 . 2]" 1
433 1 15 LEU QB 1 30 LEU MD2 1.800 . 5.000 3.596 3.209 4.972 . 0 0 "[ . 1 . 2]" 1
434 1 15 LEU QB 1 31 PRO QD 1.800 . 5.000 2.772 2.365 3.274 . 0 0 "[ . 1 . 2]" 1
435 1 15 LEU QB 1 33 VAL MG2 1.800 . 5.000 4.338 3.794 5.036 0.036 1 0 "[ . 1 . 2]" 1
436 1 15 LEU QB 1 33 VAL MG1 1.800 . 5.000 3.046 2.088 4.106 . 0 0 "[ . 1 . 2]" 1
437 1 15 LEU HG 1 53 VAL MG2 1.800 . 5.000 2.950 2.273 3.515 . 0 0 "[ . 1 . 2]" 1
438 1 15 LEU HG 1 30 LEU MD1 1.800 . 5.000 2.849 2.096 3.842 . 0 0 "[ . 1 . 2]" 1
439 1 15 LEU HG 1 30 LEU MD2 1.800 . 5.000 3.081 2.452 4.999 . 0 0 "[ . 1 . 2]" 1
440 1 15 LEU MD2 1 30 LEU MD1 1.800 . 5.000 3.338 2.010 4.517 . 0 0 "[ . 1 . 2]" 1
441 1 15 LEU MD2 1 31 PRO QB 1.800 . 5.000 4.489 3.857 5.010 0.010 3 0 "[ . 1 . 2]" 1
442 1 15 LEU MD2 1 31 PRO QG 1.800 . 5.000 3.281 2.608 4.059 . 0 0 "[ . 1 . 2]" 1
443 1 15 LEU MD1 1 31 PRO QD 1.800 . 5.000 4.409 4.091 4.858 . 0 0 "[ . 1 . 2]" 1
444 1 15 LEU MD2 1 31 PRO QD 1.800 . 5.000 2.093 1.799 2.533 0.001 1 0 "[ . 1 . 2]" 1
445 1 15 LEU MD1 1 51 ALA MB 1.800 . 5.000 2.461 2.118 2.731 . 0 0 "[ . 1 . 2]" 1
446 1 15 LEU MD1 1 53 VAL MG2 1.800 . 5.000 2.912 2.516 3.357 . 0 0 "[ . 1 . 2]" 1
447 1 16 ILE QG 1 50 PHE QB 1.800 . 5.000 2.693 2.316 3.076 . 0 0 "[ . 1 . 2]" 1
448 1 16 ILE QG 1 52 TYR QB 1.800 . 5.000 2.246 1.827 3.764 . 0 0 "[ . 1 . 2]" 1
449 1 16 ILE MG 1 50 PHE QB 1.800 . 5.000 2.946 2.345 3.710 . 0 0 "[ . 1 . 2]" 1
450 1 16 ILE MG 1 50 PHE QD 1.800 . 5.000 3.027 2.603 3.787 . 0 0 "[ . 1 . 2]" 1
451 1 16 ILE MD 1 18 LYS QE 1.800 . 5.000 4.748 2.113 5.035 0.035 6 0 "[ . 1 . 2]" 1
452 1 16 ILE MD 1 50 PHE QB 1.800 . 5.000 2.446 2.144 2.813 . 0 0 "[ . 1 . 2]" 1
453 1 16 ILE MD 1 50 PHE QD 1.800 . 5.000 3.237 2.750 3.784 . 0 0 "[ . 1 . 2]" 1
454 1 16 ILE MD 1 52 TYR QB 1.800 . 5.000 2.559 1.937 4.273 . 0 0 "[ . 1 . 2]" 1
455 1 17 ALA MB 1 20 THR HB 1.800 . 5.000 2.834 2.651 3.177 . 0 0 "[ . 1 . 2]" 1
456 1 17 ALA MB 1 26 ILE MD 1.800 . 5.000 2.183 1.996 2.395 . 0 0 "[ . 1 . 2]" 1
457 1 17 ALA MB 1 30 LEU MD1 1.800 . 5.000 2.368 1.890 3.401 . 0 0 "[ . 1 . 2]" 1
458 1 17 ALA MB 1 30 LEU MD2 1.800 . 5.000 3.394 2.646 3.952 . 0 0 "[ . 1 . 2]" 1
459 1 17 ALA MB 1 53 VAL MG2 1.800 . 5.000 3.290 2.814 3.805 . 0 0 "[ . 1 . 2]" 1
460 1 17 ALA MB 1 55 LEU MD1 1.800 . 5.000 2.874 1.797 3.784 0.003 20 0 "[ . 1 . 2]" 1
461 1 17 ALA MB 1 55 LEU MD2 1.800 . 5.000 4.398 2.998 4.999 . 0 0 "[ . 1 . 2]" 1
462 1 17 ALA MB 1 89 LEU MD2 1.800 . 5.000 4.860 4.469 5.015 0.015 13 0 "[ . 1 . 2]" 1
463 1 18 LYS QG 1 52 TYR QB 1.800 . 5.000 3.590 2.197 4.083 . 0 0 "[ . 1 . 2]" 1
464 1 18 LYS QG 1 52 TYR QD 1.800 . 5.000 3.868 3.005 4.396 . 0 0 "[ . 1 . 2]" 1
465 1 20 THR MG 1 24 SER QB 1.800 . 5.000 3.537 2.167 4.726 . 0 0 "[ . 1 . 2]" 1
466 1 20 THR MG 1 26 ILE MD 1.800 . 5.000 2.586 2.035 3.193 . 0 0 "[ . 1 . 2]" 1
467 1 20 THR MG 1 26 ILE QG 1.800 . 5.000 2.965 2.401 3.369 . 0 0 "[ . 1 . 2]" 1
468 1 20 THR MG 1 55 LEU MD1 1.800 . 5.000 2.435 1.792 4.711 0.008 19 0 "[ . 1 . 2]" 1
469 1 20 THR MG 1 55 LEU MD2 1.800 . 5.000 4.059 1.958 5.059 0.059 20 0 "[ . 1 . 2]" 1
470 1 20 THR MG 1 89 LEU MD1 1.800 . 5.000 4.208 3.440 5.041 0.041 17 0 "[ . 1 . 2]" 1
471 1 20 THR MG 1 89 LEU MD2 1.800 . 5.000 3.585 3.181 4.490 . 0 0 "[ . 1 . 2]" 1
472 1 21 PRO QD 1 55 LEU QB 1.800 . 5.000 2.655 2.074 3.343 . 0 0 "[ . 1 . 2]" 1
473 1 21 PRO QD 1 89 LEU MD2 1.800 . 5.000 4.756 3.897 5.002 0.002 5 0 "[ . 1 . 2]" 1
474 1 24 SER QB 1 89 LEU MD1 1.800 . 5.000 2.499 1.978 3.417 . 0 0 "[ . 1 . 2]" 1
475 1 24 SER QB 1 89 LEU MD2 1.800 . 5.000 2.511 1.801 3.070 . 0 0 "[ . 1 . 2]" 1
476 1 24 SER HG 1 89 LEU MD2 1.800 . 5.000 4.070 3.486 5.005 0.005 12 0 "[ . 1 . 2]" 1
477 1 26 ILE HB 1 30 LEU MD1 1.800 . 5.000 4.526 3.992 5.019 0.019 20 0 "[ . 1 . 2]" 1
478 1 26 ILE QG 1 55 LEU MD2 1.800 . 5.000 4.152 2.596 4.812 . 0 0 "[ . 1 . 2]" 1
479 1 26 ILE QG 1 89 LEU MD2 1.800 . 5.000 1.905 1.797 2.124 0.003 9 0 "[ . 1 . 2]" 1
480 1 26 ILE MG 1 28 THR HB 1.800 . 5.000 2.922 2.235 4.367 . 0 0 "[ . 1 . 2]" 1
481 1 26 ILE MG 1 28 THR MG 1.800 . 5.000 3.784 2.351 4.199 . 0 0 "[ . 1 . 2]" 1
482 1 26 ILE MG 1 30 LEU MD2 1.800 . 5.000 2.517 2.152 3.059 . 0 0 "[ . 1 . 2]" 1
483 1 26 ILE MG 1 30 LEU MD1 1.800 . 5.000 3.587 2.430 4.343 . 0 0 "[ . 1 . 2]" 1
484 1 26 ILE MG 1 87 LEU QB 1.800 . 5.000 2.752 2.092 3.678 . 0 0 "[ . 1 . 2]" 1
485 1 26 ILE MG 1 87 LEU MD1 1.800 . 5.000 3.072 2.526 3.848 . 0 0 "[ . 1 . 2]" 1
486 1 26 ILE MG 1 89 LEU MD2 1.800 . 5.000 2.573 2.271 2.977 . 0 0 "[ . 1 . 2]" 1
487 1 26 ILE MD 1 30 LEU MD1 1.800 . 5.000 2.651 2.181 3.006 . 0 0 "[ . 1 . 2]" 1
488 1 26 ILE MD 1 55 LEU MD1 1.800 . 5.000 2.407 1.893 3.939 . 0 0 "[ . 1 . 2]" 1
489 1 26 ILE MD 1 55 LEU MD2 1.800 . 5.000 3.666 2.333 4.350 . 0 0 "[ . 1 . 2]" 1
490 1 27 MET QG 1 90 GLU QB 1.800 . 5.000 3.121 1.791 5.033 0.033 15 0 "[ . 1 . 2]" 1
491 1 28 THR HB 1 87 LEU MD2 1.800 . 5.000 2.859 2.040 4.795 . 0 0 "[ . 1 . 2]" 1
492 1 28 THR MG 1 87 LEU MD2 1.800 . 5.000 2.790 2.206 3.937 . 0 0 "[ . 1 . 2]" 1
493 1 28 THR MG 1 88 GLN QB 1.800 . 5.000 3.920 2.075 4.814 . 0 0 "[ . 1 . 2]" 1
494 1 30 LEU MD1 1 53 VAL MG1 1.800 . 5.000 4.522 3.574 5.015 0.015 6 0 "[ . 1 . 2]" 1
495 1 31 PRO QG 1 85 VAL MG1 1.800 . 5.000 3.456 2.430 4.252 . 0 0 "[ . 1 . 2]" 1
496 1 31 PRO QG 1 85 VAL MG2 1.800 . 5.000 4.670 3.850 5.019 0.019 3 0 "[ . 1 . 2]" 1
497 1 31 PRO QG 1 87 LEU MD2 1.800 . 5.000 4.394 3.423 4.980 . 0 0 "[ . 1 . 2]" 1
498 1 31 PRO QD 1 87 LEU MD2 1.800 . 5.000 3.450 2.603 4.014 . 0 0 "[ . 1 . 2]" 1
499 1 33 VAL MG2 1 51 ALA MB 1.800 . 5.000 2.583 1.895 3.675 . 0 0 "[ . 1 . 2]" 1
500 1 33 VAL HB 1 51 ALA MB 1.800 . 5.000 3.730 2.974 4.280 . 0 0 "[ . 1 . 2]" 1
501 1 33 VAL MG1 1 82 PRO QD 1.800 . 5.000 2.972 1.794 4.618 0.006 6 0 "[ . 1 . 2]" 1
502 1 34 ARG QB 1 81 SER QB 1.800 . 5.000 3.491 2.040 4.894 . 0 0 "[ . 1 . 2]" 1
503 1 35 VAL HB 1 77 ILE MD 1.800 . 5.000 2.928 2.390 3.349 . 0 0 "[ . 1 . 2]" 1
504 1 35 VAL MG1 1 77 ILE QG 1.800 . 5.000 3.579 3.174 3.991 . 0 0 "[ . 1 . 2]" 1
505 1 35 VAL MG1 1 79 GLU QB 1.800 . 5.000 4.601 3.597 5.043 0.043 15 0 "[ . 1 . 2]" 1
506 1 36 LYS QB 1 78 VAL HB 1.800 . 5.000 2.354 1.775 3.146 0.025 5 0 "[ . 1 . 2]" 1
507 1 36 LYS QB 1 78 VAL MG1 1.800 . 5.000 3.283 2.724 3.715 . 0 0 "[ . 1 . 2]" 1
508 1 36 LYS QB 1 78 VAL MG2 1.800 . 5.000 3.500 2.702 4.292 . 0 0 "[ . 1 . 2]" 1
509 1 36 LYS QG 1 78 VAL MG1 1.800 . 5.000 3.775 3.416 4.331 . 0 0 "[ . 1 . 2]" 1
510 1 36 LYS QE 1 78 VAL MG1 1.800 . 5.000 3.877 1.977 4.898 . 0 0 "[ . 1 . 2]" 1
511 1 36 LYS QE 1 78 VAL MG2 1.800 . 5.000 3.874 2.383 5.057 0.057 5 0 "[ . 1 . 2]" 1
512 1 37 THR HB 1 75 ILE MG 1.800 . 5.000 1.931 1.779 2.318 0.021 10 0 "[ . 1 . 2]" 1
513 1 37 THR MG 1 77 ILE QG 1.800 . 5.000 2.681 2.262 3.105 . 0 0 "[ . 1 . 2]" 1
514 1 37 THR MG 1 77 ILE MG 1.800 . 5.000 4.210 3.860 4.658 . 0 0 "[ . 1 . 2]" 1
515 1 37 THR MG 1 77 ILE MD 1.800 . 5.000 3.642 3.248 3.968 . 0 0 "[ . 1 . 2]" 1
516 1 38 GLU QB 1 76 LYS QD 1.800 . 5.000 2.680 1.857 4.373 . 0 0 "[ . 1 . 2]" 1
517 1 38 GLU QB 1 78 VAL MG2 1.800 . 5.000 2.763 1.844 3.687 . 0 0 "[ . 1 . 2]" 1
518 1 38 GLU QG 1 76 LYS QB 1.800 . 5.000 3.544 1.796 4.573 0.004 20 0 "[ . 1 . 2]" 1
519 1 38 GLU QG 1 78 VAL MG2 1.800 . 5.000 2.562 1.777 3.607 0.023 5 0 "[ . 1 . 2]" 1
520 1 38 GLU QG 1 78 VAL MG1 1.800 . 5.000 4.325 3.637 5.027 0.027 11 0 "[ . 1 . 2]" 1
521 1 41 ASN QB 1 44 ILE QG 1.800 . 5.000 3.402 1.857 4.894 . 0 0 "[ . 1 . 2]" 1
522 1 41 ASN QB 1 44 ILE MD 1.800 . 5.000 2.872 1.808 4.605 . 0 0 "[ . 1 . 2]" 1
523 1 41 ASN QB 1 75 ILE QG 1.800 . 5.000 3.567 1.777 5.036 0.036 7 0 "[ . 1 . 2]" 1
524 1 41 ASN QB 1 75 ILE MD 1.800 . 5.000 2.573 1.781 3.813 0.019 15 0 "[ . 1 . 2]" 1
525 1 41 ASN QD 1 44 ILE MD 1.800 . 5.000 4.338 3.675 5.009 0.009 18 0 "[ . 1 . 2]" 1
526 1 44 ILE QG 1 72 ILE MG 1.800 . 5.000 4.039 2.937 5.025 0.025 12 0 "[ . 1 . 2]" 1
527 1 44 ILE QG 1 75 ILE QG 1.800 . 5.000 4.212 2.556 5.016 0.016 1 0 "[ . 1 . 2]" 1
528 1 44 ILE MG 1 46 VAL MG1 1.800 . 5.000 3.998 1.956 5.027 0.027 17 0 "[ . 1 . 2]" 1
529 1 44 ILE MG 1 75 ILE QG 1.800 . 5.000 4.145 3.090 5.018 0.018 4 0 "[ . 1 . 2]" 1
530 1 44 ILE MD 1 75 ILE QG 1.800 . 5.000 2.585 2.157 3.376 . 0 0 "[ . 1 . 2]" 1
531 1 46 VAL MG1 1 49 LEU HG 1.800 . 5.000 4.621 3.744 5.026 0.026 10 0 "[ . 1 . 2]" 1
532 1 46 VAL MG1 1 49 LEU MD1 1.800 . 5.000 3.209 2.032 4.243 . 0 0 "[ . 1 . 2]" 1
533 1 46 VAL MG2 1 49 LEU MD1 1.800 . 5.000 4.223 2.639 5.042 0.042 1 0 "[ . 1 . 2]" 1
534 1 49 LEU MD1 1 72 ILE MD 1.800 . 5.000 2.664 1.794 3.533 0.006 4 0 "[ . 1 . 2]" 1
535 1 49 LEU MD2 1 72 ILE MD 1.800 . 5.000 3.734 2.627 4.773 . 0 0 "[ . 1 . 2]" 1
536 1 51 ALA MB 1 67 VAL MG1 1.800 . 5.000 2.189 1.799 2.776 0.001 8 0 "[ . 1 . 2]" 1
537 1 51 ALA MB 1 69 VAL MG1 1.800 . 5.000 2.911 2.520 3.659 . 0 0 "[ . 1 . 2]" 1
538 1 51 ALA MB 1 69 VAL MG2 1.800 . 5.000 2.217 1.794 3.188 0.006 20 0 "[ . 1 . 2]" 1
539 1 52 TYR QB 1 68 LYS QD 1.800 . 5.000 4.719 2.227 5.118 0.118 20 0 "[ . 1 . 2]" 1
540 1 52 TYR QE 1 70 GLU QG 1.800 . 5.000 2.665 1.821 4.510 . 0 0 "[ . 1 . 2]" 1
541 1 53 VAL HB 1 55 LEU MD2 1.800 . 5.000 3.159 2.525 4.791 . 0 0 "[ . 1 . 2]" 1
542 1 53 VAL HB 1 65 TYR QB 1.800 . 5.000 2.816 2.144 3.501 . 0 0 "[ . 1 . 2]" 1
543 1 53 VAL MG1 1 55 LEU MD1 1.800 . 5.000 4.632 3.349 5.007 0.007 3 0 "[ . 1 . 2]" 1
544 1 53 VAL MG2 1 55 LEU MD2 1.800 . 5.000 2.892 2.342 3.689 . 0 0 "[ . 1 . 2]" 1
545 1 53 VAL MG1 1 65 TYR QB 1.800 . 5.000 2.871 2.362 3.338 . 0 0 "[ . 1 . 2]" 1
546 1 55 LEU MD2 1 65 TYR QE 1.800 . 5.000 3.112 2.772 3.716 . 0 0 "[ . 1 . 2]" 1
547 1 55 LEU MD2 1 87 LEU MD1 1.800 . 5.000 2.423 1.784 3.490 0.016 8 0 "[ . 1 . 2]" 1
548 1 55 LEU MD1 1 89 LEU HG 1.800 . 5.000 4.320 3.653 5.037 0.037 17 0 "[ . 1 . 2]" 1
549 1 55 LEU MD1 1 89 LEU MD2 1.800 . 5.000 2.620 1.991 3.978 . 0 0 "[ . 1 . 2]" 1
550 1 55 LEU MD2 1 89 LEU MD1 1.800 . 5.000 2.441 1.794 3.207 0.006 15 0 "[ . 1 . 2]" 1
551 1 55 LEU MD2 1 89 LEU MD2 1.800 . 5.000 3.073 1.967 3.715 . 0 0 "[ . 1 . 2]" 1
552 1 58 SER QB 1 89 LEU MD1 1.800 . 5.000 3.650 1.942 5.043 0.043 13 0 "[ . 1 . 2]" 1
553 1 60 PRO QB 1 89 LEU QB 1.800 . 5.000 3.714 2.958 4.167 . 0 0 "[ . 1 . 2]" 1
554 1 62 GLU QB 1 86 THR MG 1.800 . 5.000 2.814 1.788 3.977 0.012 7 0 "[ . 1 . 2]" 1
555 1 62 GLU QG 1 86 THR MG 1.800 . 5.000 2.923 1.791 3.911 0.009 1 0 "[ . 1 . 2]" 1
556 1 63 HIS QB 1 65 TYR QE 1.800 . 5.000 2.379 2.007 3.207 . 0 0 "[ . 1 . 2]" 1
557 1 64 ASP QB 1 84 VAL MG1 1.800 . 5.000 2.105 1.768 3.752 0.032 18 0 "[ . 1 . 2]" 1
558 1 65 TYR QB 1 85 VAL MG2 1.800 . 5.000 2.779 2.224 3.152 . 0 0 "[ . 1 . 2]" 1
559 1 65 TYR QD 1 85 VAL MG2 1.800 . 5.000 3.828 2.643 4.310 . 0 0 "[ . 1 . 2]" 1
560 1 65 TYR QD 1 87 LEU HG 1.800 . 5.000 2.869 2.377 3.506 . 0 0 "[ . 1 . 2]" 1
561 1 65 TYR QD 1 87 LEU MD1 1.800 . 5.000 2.458 2.089 3.064 . 0 0 "[ . 1 . 2]" 1
562 1 65 TYR QE 1 87 LEU QB 1.800 . 5.000 2.731 1.943 3.334 . 0 0 "[ . 1 . 2]" 1
563 1 65 TYR QE 1 87 LEU MD1 1.800 . 5.000 3.781 3.470 4.444 . 0 0 "[ . 1 . 2]" 1
564 1 66 GLU QB 1 84 VAL MG2 1.800 . 5.000 3.644 2.813 4.389 . 0 0 "[ . 1 . 2]" 1
565 1 66 GLU QG 1 84 VAL MG2 1.800 . 5.000 2.900 1.794 3.941 0.006 3 0 "[ . 1 . 2]" 1
566 1 67 VAL HB 1 80 ILE MG 1.800 . 5.000 3.254 2.582 4.405 . 0 0 "[ . 1 . 2]" 1
567 1 67 VAL MG2 1 82 PRO QD 1.800 . 5.000 3.256 2.721 3.811 . 0 0 "[ . 1 . 2]" 1
568 1 69 VAL HB 1 77 ILE MD 1.800 . 5.000 3.006 2.498 3.393 . 0 0 "[ . 1 . 2]" 1
569 1 69 VAL MG2 1 77 ILE QG 1.800 . 5.000 4.627 4.089 5.029 0.029 5 0 "[ . 1 . 2]" 1
570 1 72 ILE HB 1 75 ILE HB 1.800 . 3.500 2.634 1.854 3.504 0.004 17 0 "[ . 1 . 2]" 1
571 1 72 ILE HB 1 75 ILE MG 1.800 . 5.000 3.638 3.009 4.732 . 0 0 "[ . 1 . 2]" 1
572 1 72 ILE MG 1 75 ILE HB 1.800 . 5.000 2.169 1.788 3.050 0.012 16 0 "[ . 1 . 2]" 1
573 1 72 ILE MG 1 75 ILE QG 1.800 . 5.000 2.589 2.086 2.972 . 0 0 "[ . 1 . 2]" 1
574 1 72 ILE MG 1 75 ILE MG 1.800 . 5.000 3.112 2.657 4.034 . 0 0 "[ . 1 . 2]" 1
575 1 76 LYS QB 1 78 VAL MG2 1.800 . 5.000 3.741 3.074 4.240 . 0 0 "[ . 1 . 2]" 1
576 1 76 LYS QD 1 78 VAL MG2 1.800 . 5.000 3.939 2.895 5.035 0.035 6 0 "[ . 1 . 2]" 1
577 1 82 PRO QB 1 85 VAL MG1 1.800 . 5.000 2.599 1.997 3.221 . 0 0 "[ . 1 . 2]" 1
578 1 82 PRO QG 1 85 VAL MG1 1.800 . 5.000 2.244 1.790 3.352 0.010 10 0 "[ . 1 . 2]" 1
579 1 82 PRO QD 1 85 VAL MG1 1.800 . 5.000 3.365 2.749 4.102 . 0 0 "[ . 1 . 2]" 1
580 1 85 VAL HB 1 87 LEU MD2 1.800 . 5.000 2.937 2.618 3.209 . 0 0 "[ . 1 . 2]" 1
581 1 85 VAL MG2 1 87 LEU HG 1.800 . 5.000 2.188 1.974 2.450 . 0 0 "[ . 1 . 2]" 1
582 1 53 VAL MG2 1 55 LEU MD1 1.800 . 5.000 2.787 2.038 3.210 . 0 0 "[ . 1 . 2]" 1
583 1 72 ILE MG 1 75 ILE MD 1.800 . 5.000 2.929 1.882 4.025 . 0 0 "[ . 1 . 2]" 1
584 1 35 VAL MG1 1 77 ILE MD 1.800 . 5.000 2.617 2.161 3.128 . 0 0 "[ . 1 . 2]" 1
585 1 10 THR H 1 10 THR HB 1.800 . 3.500 2.613 2.518 2.718 . 0 0 "[ . 1 . 2]" 1
586 1 10 THR H 1 10 THR MG 1.800 . 5.000 3.822 3.791 3.884 . 0 0 "[ . 1 . 2]" 1
587 1 11 LEU H 1 11 LEU HG 1.800 . 5.000 3.255 2.317 4.555 . 0 0 "[ . 1 . 2]" 1
588 1 11 LEU H 1 11 LEU MD1 1.800 . 5.000 3.926 3.654 4.296 . 0 0 "[ . 1 . 2]" 1
589 1 11 LEU H 1 11 LEU MD2 1.800 . 5.000 3.808 3.334 4.393 . 0 0 "[ . 1 . 2]" 1
590 1 11 LEU HA 1 11 LEU MD2 1.800 . 5.000 2.661 1.956 3.891 . 0 0 "[ . 1 . 2]" 1
591 1 11 LEU QB 1 11 LEU MD1 1.800 . 5.000 2.174 2.092 2.344 . 0 0 "[ . 1 . 2]" 1
592 1 11 LEU QB 1 11 LEU MD2 1.800 . 5.000 2.234 2.085 2.340 . 0 0 "[ . 1 . 2]" 1
593 1 12 THR H 1 12 THR HB 1.800 . 3.500 2.693 2.578 3.073 . 0 0 "[ . 1 . 2]" 1
594 1 12 THR H 1 12 THR MG 1.800 . 5.000 3.770 2.173 3.904 . 0 0 "[ . 1 . 2]" 1
595 1 13 LEU H 1 13 LEU HG 1.800 . 5.000 2.765 2.422 4.226 . 0 0 "[ . 1 . 2]" 1
596 1 13 LEU H 1 13 LEU MD2 1.800 . 5.000 3.430 2.094 3.849 . 0 0 "[ . 1 . 2]" 1
597 1 13 LEU HA 1 13 LEU MD2 1.800 . 4.000 2.125 1.989 3.279 . 0 0 "[ . 1 . 2]" 1
598 1 13 LEU QB 1 13 LEU MD1 1.800 . 5.000 2.114 2.089 2.453 . 0 0 "[ . 1 . 2]" 1
599 1 15 LEU H 1 15 LEU HG 1.800 . 5.000 4.464 4.434 4.492 . 0 0 "[ . 1 . 2]" 1
600 1 15 LEU H 1 15 LEU MD1 1.800 . 5.000 4.171 4.110 4.238 . 0 0 "[ . 1 . 2]" 1
601 1 15 LEU H 1 15 LEU MD2 1.800 . 5.000 4.298 4.265 4.330 . 0 0 "[ . 1 . 2]" 1
602 1 15 LEU HA 1 15 LEU MD1 1.800 . 5.000 2.064 2.025 2.143 . 0 0 "[ . 1 . 2]" 1
603 1 15 LEU QB 1 15 LEU MD1 1.800 . 5.000 2.285 2.254 2.311 . 0 0 "[ . 1 . 2]" 1
604 1 15 LEU QB 1 15 LEU MD2 1.800 . 5.000 2.092 2.088 2.097 . 0 0 "[ . 1 . 2]" 1
605 1 16 ILE H 1 16 ILE QG 1.800 . 5.000 2.127 2.009 2.262 . 0 0 "[ . 1 . 2]" 1
606 1 16 ILE HA 1 16 ILE MD 1.800 . 5.000 4.188 4.179 4.193 . 0 0 "[ . 1 . 2]" 1
607 1 16 ILE QG 1 16 ILE MG 1.800 . 5.000 2.318 2.301 2.350 . 0 0 "[ . 1 . 2]" 1
608 1 16 ILE MD 1 16 ILE MG 1.800 . 5.000 1.961 1.913 1.993 . 0 0 "[ . 1 . 2]" 1
609 1 18 LYS H 1 18 LYS QG 1.800 . 5.000 3.998 2.989 4.188 . 0 0 "[ . 1 . 2]" 1
610 1 18 LYS H 1 18 LYS QD 1.800 . 5.000 4.501 4.183 4.776 . 0 0 "[ . 1 . 2]" 1
611 1 18 LYS QB 1 18 LYS QD 1.800 . 5.000 2.166 2.104 2.349 . 0 0 "[ . 1 . 2]" 1
612 1 18 LYS QB 1 18 LYS QE 1.800 . 5.000 3.641 3.528 3.866 . 0 0 "[ . 1 . 2]" 1
613 1 20 THR H 1 20 THR MG 1.800 . 5.000 3.538 2.037 4.026 . 0 0 "[ . 1 . 2]" 1
614 1 25 MET H 1 25 MET QG 1.800 . 5.000 4.023 3.967 4.131 . 0 0 "[ . 1 . 2]" 1
615 1 25 MET ME 1 25 MET QG 1.800 . 5.000 2.434 2.233 2.492 . 0 0 "[ . 1 . 2]" 1
616 1 26 ILE H 1 26 ILE HB 1.800 . 3.500 2.685 2.572 2.783 . 0 0 "[ . 1 . 2]" 1
617 1 26 ILE H 1 26 ILE QG 1.800 . 5.000 2.033 1.884 2.244 . 0 0 "[ . 1 . 2]" 1
618 1 26 ILE H 1 26 ILE MD 1.800 . 5.000 3.604 3.530 3.742 . 0 0 "[ . 1 . 2]" 1
619 1 26 ILE HA 1 26 ILE MD 1.800 . 5.000 3.896 3.855 3.937 . 0 0 "[ . 1 . 2]" 1
620 1 26 ILE QG 1 26 ILE MG 1.800 . 5.000 2.313 2.278 2.331 . 0 0 "[ . 1 . 2]" 1
621 1 26 ILE MD 1 26 ILE MG 1.800 . 5.000 1.933 1.913 1.980 . 0 0 "[ . 1 . 2]" 1
622 1 27 MET H 1 27 MET QG 1.800 . 5.000 2.943 2.236 4.005 . 0 0 "[ . 1 . 2]" 1
623 1 27 MET HA 1 27 MET ME 1.800 . 5.000 3.877 2.618 4.659 . 0 0 "[ . 1 . 2]" 1
624 1 27 MET QB 1 27 MET ME 1.800 . 5.000 2.147 1.897 3.591 . 0 0 "[ . 1 . 2]" 1
625 1 27 MET ME 1 27 MET QG 1.800 . 5.000 2.417 2.223 2.479 . 0 0 "[ . 1 . 2]" 1
626 1 28 THR H 1 28 THR HB 1.800 . 3.500 2.699 2.498 3.530 0.030 11 0 "[ . 1 . 2]" 1
627 1 28 THR H 1 28 THR MG 1.800 . 5.000 3.584 2.083 3.837 . 0 0 "[ . 1 . 2]" 1
628 1 29 LYS H 1 29 LYS QG 1.800 . 5.000 2.799 2.112 4.037 . 0 0 "[ . 1 . 2]" 1
629 1 30 LEU H 1 30 LEU HG 1.800 . 5.000 2.460 2.051 3.986 . 0 0 "[ . 1 . 2]" 1
630 1 30 LEU H 1 30 LEU MD1 1.800 . 5.000 3.548 3.256 3.713 . 0 0 "[ . 1 . 2]" 1
631 1 30 LEU H 1 30 LEU MD2 1.800 . 5.000 3.045 1.842 3.446 . 0 0 "[ . 1 . 2]" 1
632 1 30 LEU HA 1 30 LEU MD2 1.800 . 5.000 2.178 1.981 3.078 . 0 0 "[ . 1 . 2]" 1
633 1 30 LEU QB 1 30 LEU MD1 1.800 . 5.000 2.142 2.093 2.412 . 0 0 "[ . 1 . 2]" 1
634 1 30 LEU QB 1 30 LEU MD2 1.800 . 5.000 2.299 2.243 2.335 . 0 0 "[ . 1 . 2]" 1
635 1 33 VAL H 1 33 VAL MG1 1.800 . 5.000 2.284 1.953 2.726 . 0 0 "[ . 1 . 2]" 1
636 1 33 VAL H 1 33 VAL MG2 1.800 . 5.000 2.780 1.966 3.871 . 0 0 "[ . 1 . 2]" 1
637 1 34 ARG HA 1 34 ARG QD 1.800 . 5.000 4.073 3.870 4.228 . 0 0 "[ . 1 . 2]" 1
638 1 34 ARG QB 1 34 ARG HE 1.800 . 5.000 2.738 1.933 4.047 . 0 0 "[ . 1 . 2]" 1
639 1 35 VAL H 1 35 VAL MG1 1.800 . 5.000 2.801 2.501 3.195 . 0 0 "[ . 1 . 2]" 1
640 1 35 VAL H 1 35 VAL MG2 1.800 . 5.000 2.059 1.900 2.200 . 0 0 "[ . 1 . 2]" 1
641 1 36 LYS H 1 36 LYS QG 1.800 . 5.000 3.829 2.273 4.038 . 0 0 "[ . 1 . 2]" 1
642 1 36 LYS QB 1 36 LYS QD 1.800 . 5.000 2.185 2.101 2.420 . 0 0 "[ . 1 . 2]" 1
643 1 37 THR H 1 37 THR MG 1.800 . 5.000 3.019 2.840 3.140 . 0 0 "[ . 1 . 2]" 1
644 1 40 TYR H 1 40 TYR QD 1.800 . 5.000 3.347 2.097 4.481 . 0 0 "[ . 1 . 2]" 1
645 1 44 ILE H 1 44 ILE HB 1.800 . 3.500 2.702 2.443 3.534 0.034 4 0 "[ . 1 . 2]" 1
646 1 44 ILE H 1 44 ILE QG 1.800 . 5.000 2.530 1.900 3.638 . 0 0 "[ . 1 . 2]" 1
647 1 44 ILE H 1 44 ILE MD 1.800 . 5.000 3.723 2.460 4.351 . 0 0 "[ . 1 . 2]" 1
648 1 44 ILE HA 1 44 ILE MD 1.800 . 5.000 3.613 1.888 3.898 . 0 0 "[ . 1 . 2]" 1
649 1 45 ASN H 1 45 ASN QB 1.800 . 3.500 2.409 2.227 2.614 . 0 0 "[ . 1 . 2]" 1
650 1 46 VAL H 1 46 VAL MG1 1.800 . 5.000 2.857 2.126 3.778 . 0 0 "[ . 1 . 2]" 1
651 1 46 VAL H 1 46 VAL MG2 1.800 . 5.000 1.958 1.845 2.091 . 0 0 "[ . 1 . 2]" 1
652 1 46 VAL HA 1 46 VAL MG1 1.800 . 3.500 2.341 2.260 2.376 . 0 0 "[ . 1 . 2]" 1
653 1 46 VAL HA 1 46 VAL MG2 1.800 . 3.500 2.910 2.426 3.214 . 0 0 "[ . 1 . 2]" 1
654 1 47 ASN H 1 47 ASN QD 1.800 . 5.000 3.805 2.355 4.566 . 0 0 "[ . 1 . 2]" 1
655 1 48 GLU H 1 48 GLU QG 1.800 . 5.000 3.278 2.418 4.148 . 0 0 "[ . 1 . 2]" 1
656 1 49 LEU H 1 49 LEU HG 1.800 . 5.000 2.393 2.250 2.537 . 0 0 "[ . 1 . 2]" 1
657 1 49 LEU H 1 49 LEU MD1 1.800 . 5.000 3.673 3.458 3.799 . 0 0 "[ . 1 . 2]" 1
658 1 49 LEU H 1 49 LEU MD2 1.800 . 5.000 3.385 3.160 3.584 . 0 0 "[ . 1 . 2]" 1
659 1 49 LEU HA 1 49 LEU MD1 1.800 . 5.000 3.869 3.832 3.942 . 0 0 "[ . 1 . 2]" 1
660 1 49 LEU HA 1 49 LEU MD2 1.800 . 4.000 2.059 1.978 2.241 . 0 0 "[ . 1 . 2]" 1
661 1 49 LEU QB 1 49 LEU MD1 1.800 . 5.000 2.087 2.075 2.094 . 0 0 "[ . 1 . 2]" 1
662 1 49 LEU QB 1 49 LEU MD2 1.800 . 5.000 2.311 2.234 2.365 . 0 0 "[ . 1 . 2]" 1
663 1 50 PHE H 1 50 PHE QD 1.800 . 5.000 3.457 3.127 3.871 . 0 0 "[ . 1 . 2]" 1
664 1 52 TYR H 1 52 TYR QD 1.800 . 5.000 2.718 2.272 3.162 . 0 0 "[ . 1 . 2]" 1
665 1 53 VAL H 1 53 VAL MG1 1.800 . 5.000 2.981 2.829 3.211 . 0 0 "[ . 1 . 2]" 1
666 1 53 VAL H 1 53 VAL MG2 1.800 . 5.000 2.005 1.946 2.117 . 0 0 "[ . 1 . 2]" 1
667 1 55 LEU H 1 55 LEU HG 1.800 . 5.000 2.904 2.417 4.356 . 0 0 "[ . 1 . 2]" 1
668 1 55 LEU H 1 55 LEU MD1 1.800 . 5.000 3.700 2.451 4.053 . 0 0 "[ . 1 . 2]" 1
669 1 55 LEU HA 1 55 LEU MD1 1.800 . 5.000 3.618 2.358 3.895 . 0 0 "[ . 1 . 2]" 1
670 1 55 LEU HA 1 55 LEU MD2 1.800 . 5.000 2.270 1.864 3.806 . 0 0 "[ . 1 . 2]" 1
671 1 55 LEU QB 1 55 LEU MD1 1.800 . 5.000 2.134 2.091 2.339 . 0 0 "[ . 1 . 2]" 1
672 1 55 LEU QB 1 55 LEU MD2 1.800 . 5.000 2.308 2.088 2.391 . 0 0 "[ . 1 . 2]" 1
673 1 59 GLU H 1 59 GLU QG 1.800 . 5.000 2.636 1.779 4.039 0.021 13 0 "[ . 1 . 2]" 1
674 1 62 GLU H 1 62 GLU QG 1.800 . 5.000 3.087 2.107 4.075 . 0 0 "[ . 1 . 2]" 1
675 1 65 TYR H 1 65 TYR QD 1.800 . 5.000 3.155 2.978 3.570 . 0 0 "[ . 1 . 2]" 1
676 1 65 TYR HA 1 65 TYR QD 1.800 . 5.000 2.717 2.468 2.910 . 0 0 "[ . 1 . 2]" 1
677 1 66 GLU H 1 66 GLU QB 1.800 . 3.500 2.400 2.216 2.540 . 0 0 "[ . 1 . 2]" 1
678 1 66 GLU H 1 66 GLU QG 1.800 . 5.000 2.882 1.930 4.013 . 0 0 "[ . 1 . 2]" 1
679 1 67 VAL H 1 67 VAL MG2 1.800 . 5.000 2.254 2.134 2.419 . 0 0 "[ . 1 . 2]" 1
680 1 68 LYS H 1 68 LYS QG 1.800 . 5.000 2.943 2.348 4.106 . 0 0 "[ . 1 . 2]" 1
681 1 68 LYS HA 1 68 LYS QD 1.800 . 5.000 3.988 2.704 4.309 . 0 0 "[ . 1 . 2]" 1
682 1 68 LYS QB 1 68 LYS QD 1.800 . 5.000 2.136 2.096 2.341 . 0 0 "[ . 1 . 2]" 1
683 1 69 VAL H 1 69 VAL MG1 1.800 . 5.000 3.817 3.787 3.882 . 0 0 "[ . 1 . 2]" 1
684 1 69 VAL H 1 69 VAL MG2 1.800 . 5.000 2.327 2.157 2.804 . 0 0 "[ . 1 . 2]" 1
685 1 70 GLU H 1 70 GLU QG 1.800 . 5.000 2.731 2.074 4.009 . 0 0 "[ . 1 . 2]" 1
686 1 72 ILE H 1 72 ILE QG 1.800 . 5.000 2.615 1.973 3.209 . 0 0 "[ . 1 . 2]" 1
687 1 72 ILE QG 1 72 ILE MG 1.800 . 5.000 2.198 2.071 2.312 . 0 0 "[ . 1 . 2]" 1
688 1 72 ILE MD 1 72 ILE MG 1.800 . 5.000 2.504 1.941 3.179 . 0 0 "[ . 1 . 2]" 1
689 1 75 ILE H 1 75 ILE HB 1.800 . 3.500 2.613 2.459 2.927 . 0 0 "[ . 1 . 2]" 1
690 1 75 ILE H 1 75 ILE QG 1.800 . 5.000 2.573 2.118 2.997 . 0 0 "[ . 1 . 2]" 1
691 1 75 ILE H 1 75 ILE MD 1.800 . 5.000 3.740 3.004 4.238 . 0 0 "[ . 1 . 2]" 1
692 1 75 ILE HA 1 75 ILE MD 1.800 . 5.000 3.007 1.884 3.931 . 0 0 "[ . 1 . 2]" 1
693 1 75 ILE QG 1 75 ILE MG 1.800 . 5.000 2.310 2.258 2.363 . 0 0 "[ . 1 . 2]" 1
694 1 76 LYS H 1 76 LYS QB 1.800 . 3.500 2.340 2.191 2.574 . 0 0 "[ . 1 . 2]" 1
695 1 76 LYS H 1 76 LYS QG 1.800 . 5.000 3.394 2.047 4.003 . 0 0 "[ . 1 . 2]" 1
696 1 76 LYS HA 1 76 LYS QD 1.800 . 5.000 4.043 3.843 4.270 . 0 0 "[ . 1 . 2]" 1
697 1 77 ILE H 1 77 ILE QG 1.800 . 5.000 4.029 3.992 4.119 . 0 0 "[ . 1 . 2]" 1
698 1 77 ILE H 1 77 ILE MD 1.800 . 5.000 4.537 4.461 4.752 . 0 0 "[ . 1 . 2]" 1
699 1 77 ILE HA 1 77 ILE MD 1.800 . 5.000 3.771 3.694 3.809 . 0 0 "[ . 1 . 2]" 1
700 1 77 ILE QG 1 77 ILE MG 1.800 . 5.000 2.320 2.275 2.348 . 0 0 "[ . 1 . 2]" 1
701 1 78 VAL H 1 78 VAL MG1 1.800 . 5.000 3.821 3.782 3.871 . 0 0 "[ . 1 . 2]" 1
702 1 78 VAL H 1 78 VAL MG2 1.800 . 5.000 2.319 2.134 2.565 . 0 0 "[ . 1 . 2]" 1
703 1 79 GLU H 1 79 GLU QG 1.800 . 5.000 3.474 2.533 4.215 . 0 0 "[ . 1 . 2]" 1
704 1 80 ILE H 1 80 ILE MD 1.800 . 5.000 4.076 3.617 4.816 . 0 0 "[ . 1 . 2]" 1
705 1 80 ILE HA 1 80 ILE MD 1.800 . 5.000 3.849 3.747 3.892 . 0 0 "[ . 1 . 2]" 1
706 1 80 ILE QG 1 80 ILE MG 1.800 . 5.000 2.324 2.310 2.339 . 0 0 "[ . 1 . 2]" 1
707 1 83 ARG H 1 83 ARG QG 1.800 . 5.000 2.712 1.934 4.065 . 0 0 "[ . 1 . 2]" 1
708 1 83 ARG HA 1 83 ARG QD 1.800 . 5.000 4.096 3.984 4.209 . 0 0 "[ . 1 . 2]" 1
709 1 83 ARG QB 1 83 ARG HE 1.800 . 5.000 2.500 1.798 3.960 0.002 10 0 "[ . 1 . 2]" 1
710 1 84 VAL H 1 84 VAL MG2 1.800 . 5.000 2.746 2.567 2.893 . 0 0 "[ . 1 . 2]" 1
711 1 85 VAL H 1 85 VAL MG1 1.800 . 5.000 2.936 2.785 3.066 . 0 0 "[ . 1 . 2]" 1
712 1 85 VAL H 1 85 VAL MG2 1.800 . 5.000 2.055 1.976 2.191 . 0 0 "[ . 1 . 2]" 1
713 1 86 THR H 1 86 THR HB 1.800 . 3.500 2.654 2.558 2.735 . 0 0 "[ . 1 . 2]" 1
714 1 86 THR H 1 86 THR MG 1.800 . 5.000 3.795 3.765 3.854 . 0 0 "[ . 1 . 2]" 1
715 1 87 LEU H 1 87 LEU HG 1.800 . 5.000 2.765 2.635 2.912 . 0 0 "[ . 1 . 2]" 1
716 1 87 LEU H 1 87 LEU MD1 1.800 . 5.000 3.915 3.803 4.046 . 0 0 "[ . 1 . 2]" 1
717 1 87 LEU H 1 87 LEU MD2 1.800 . 5.000 3.603 3.514 3.704 . 0 0 "[ . 1 . 2]" 1
718 1 87 LEU HA 1 87 LEU MD2 1.800 . 4.000 2.007 1.951 2.112 . 0 0 "[ . 1 . 2]" 1
719 1 87 LEU QB 1 87 LEU MD1 1.800 . 5.000 2.097 2.093 2.107 . 0 0 "[ . 1 . 2]" 1
720 1 87 LEU QB 1 87 LEU MD2 1.800 . 5.000 2.327 2.298 2.344 . 0 0 "[ . 1 . 2]" 1
721 1 88 GLN H 1 88 GLN QG 1.800 . 5.000 3.443 2.204 4.109 . 0 0 "[ . 1 . 2]" 1
722 1 89 LEU H 1 89 LEU HG 1.800 . 5.000 2.804 2.566 3.121 . 0 0 "[ . 1 . 2]" 1
723 1 89 LEU H 1 89 LEU MD1 1.800 . 5.000 3.908 3.731 4.135 . 0 0 "[ . 1 . 2]" 1
724 1 89 LEU HA 1 89 LEU MD1 1.800 . 5.000 3.823 3.755 3.886 . 0 0 "[ . 1 . 2]" 1
725 1 89 LEU HA 1 89 LEU MD2 1.800 . 5.000 1.945 1.801 2.079 . 0 0 "[ . 1 . 2]" 1
726 1 89 LEU QB 1 89 LEU MD1 1.800 . 5.000 2.090 2.077 2.098 . 0 0 "[ . 1 . 2]" 1
727 1 89 LEU QB 1 89 LEU MD2 1.800 . 5.000 2.326 2.268 2.392 . 0 0 "[ . 1 . 2]" 1
728 1 91 HIS H 1 91 HIS QB 1.800 . 3.500 2.370 2.208 2.620 . 0 0 "[ . 1 . 2]" 1
729 1 12 THR MG 1 13 LEU HA 1.800 . 5.000 4.123 3.803 4.349 . 0 0 "[ . 1 . 2]" 1
730 1 13 LEU HA 1 14 SER QB 1.800 . 5.000 4.416 4.049 4.634 . 0 0 "[ . 1 . 2]" 1
731 1 14 SER QB 1 15 LEU HA 1.800 . 5.000 4.497 4.342 4.772 . 0 0 "[ . 1 . 2]" 1
732 1 15 LEU HA 1 16 ILE MG 1.800 . 5.000 3.740 3.658 3.905 . 0 0 "[ . 1 . 2]" 1
733 1 16 ILE HA 1 17 ALA MB 1.800 . 5.000 3.983 3.912 4.018 . 0 0 "[ . 1 . 2]" 1
734 1 20 THR MG 1 21 PRO QD 1.800 . 5.000 2.739 2.315 3.880 . 0 0 "[ . 1 . 2]" 1
735 1 21 PRO HA 1 22 ALA MB 1.800 . 5.000 4.049 3.983 4.230 . 0 0 "[ . 1 . 2]" 1
736 1 22 ALA MB 1 23 ASN QB 1.800 . 5.000 4.226 3.233 4.782 . 0 0 "[ . 1 . 2]" 1
737 1 22 ALA MB 1 23 ASN QD 1.800 . 5.000 4.282 2.338 5.060 0.060 16 0 "[ . 1 . 2]" 1
738 1 25 MET QG 1 26 ILE HA 1.800 . 5.000 4.182 3.928 4.420 . 0 0 "[ . 1 . 2]" 1
739 1 26 ILE HA 1 27 MET QB 1.800 . 5.000 4.327 4.118 4.512 . 0 0 "[ . 1 . 2]" 1
740 1 26 ILE MG 1 27 MET QB 1.800 . 5.000 4.342 4.035 4.690 . 0 0 "[ . 1 . 2]" 1
741 1 27 MET QB 1 28 THR HA 1.800 . 5.000 4.073 3.881 4.341 . 0 0 "[ . 1 . 2]" 1
742 1 30 LEU QB 1 31 PRO QD 1.800 . 5.000 3.081 2.882 3.255 . 0 0 "[ . 1 . 2]" 1
743 1 30 LEU MD2 1 31 PRO HD2 1.800 . 5.000 3.567 3.021 5.011 0.011 10 0 "[ . 1 . 2]" 1
744 1 30 LEU MD2 1 31 PRO HD3 1.800 . 5.000 3.540 3.158 4.697 . 0 0 "[ . 1 . 2]" 1
745 1 33 VAL MG2 1 34 ARG HA 1.800 . 5.000 3.840 3.515 4.018 . 0 0 "[ . 1 . 2]" 1
746 1 33 VAL MG2 1 34 ARG QB 1.800 . 5.000 4.616 3.934 5.030 0.030 8 0 "[ . 1 . 2]" 1
747 1 34 ARG HA 1 35 VAL MG1 1.800 . 5.000 3.885 3.752 4.113 . 0 0 "[ . 1 . 2]" 1
748 1 34 ARG HA 1 35 VAL MG2 1.800 . 5.000 3.713 3.548 3.916 . 0 0 "[ . 1 . 2]" 1
749 1 37 THR HB 1 38 GLU HA 1.800 . 5.000 4.462 4.189 4.710 . 0 0 "[ . 1 . 2]" 1
750 1 52 TYR HA 1 53 VAL MG1 1.800 . 5.000 3.891 3.629 4.195 . 0 0 "[ . 1 . 2]" 1
751 1 52 TYR HA 1 53 VAL MG2 1.800 . 5.000 3.575 3.478 3.675 . 0 0 "[ . 1 . 2]" 1
752 1 59 GLU QB 1 60 PRO QD 1.800 . 5.000 3.034 2.253 3.528 . 0 0 "[ . 1 . 2]" 1
753 1 66 GLU HA 1 67 VAL MG2 1.800 . 5.000 3.616 3.463 3.719 . 0 0 "[ . 1 . 2]" 1
754 1 67 VAL HA 1 68 LYS HA 1.800 . 5.000 4.397 4.381 4.417 . 0 0 "[ . 1 . 2]" 1
755 1 67 VAL MG1 1 68 LYS QB 1.800 . 5.000 4.517 4.164 4.703 . 0 0 "[ . 1 . 2]" 1
756 1 68 LYS HA 1 69 VAL MG2 1.800 . 5.000 3.593 3.424 3.773 . 0 0 "[ . 1 . 2]" 1
757 1 70 GLU QB 1 71 PRO QD 1.800 . 5.000 3.026 2.434 3.630 . 0 0 "[ . 1 . 2]" 1
758 1 70 GLU QG 1 71 PRO QD 1.800 . 5.000 3.421 1.878 4.050 . 0 0 "[ . 1 . 2]" 1
759 1 71 PRO HA 1 72 ILE QG 1.800 . 5.000 3.867 3.214 4.448 . 0 0 "[ . 1 . 2]" 1
760 1 72 ILE MG 1 73 PRO QD 1.800 . 5.000 2.457 2.149 3.197 . 0 0 "[ . 1 . 2]" 1
761 1 75 ILE MG 1 76 LYS HA 1.800 . 5.000 3.939 3.747 4.150 . 0 0 "[ . 1 . 2]" 1
762 1 76 LYS HA 1 77 ILE MG 1.800 . 5.000 3.795 3.629 4.029 . 0 0 "[ . 1 . 2]" 1
763 1 77 ILE HA 1 78 VAL MG2 1.800 . 5.000 3.365 3.163 3.509 . 0 0 "[ . 1 . 2]" 1
764 1 77 ILE QG 1 78 VAL HA 1.800 . 5.000 4.101 3.943 4.396 . 0 0 "[ . 1 . 2]" 1
765 1 80 ILE MG 1 81 SER HA 1.800 . 5.000 3.621 3.442 4.062 . 0 0 "[ . 1 . 2]" 1
766 1 81 SER HA 1 82 PRO HA 1.800 . 3.500 1.878 1.728 2.294 0.072 10 0 "[ . 1 . 2]" 1
767 1 81 SER QB 1 82 PRO HA 1.800 . 5.000 3.080 2.401 3.779 . 0 0 "[ . 1 . 2]" 1
768 1 82 PRO HA 1 83 ARG HE 1.800 . 5.000 4.920 4.489 5.059 0.059 4 0 "[ . 1 . 2]" 1
769 1 82 PRO QB 1 83 ARG QB 1.800 . 5.000 4.484 4.169 4.946 . 0 0 "[ . 1 . 2]" 1
770 1 83 ARG HA 1 84 VAL MG2 1.800 . 5.000 4.240 4.061 4.455 . 0 0 "[ . 1 . 2]" 1
771 1 83 ARG QB 1 84 VAL HB 1.800 . 5.000 4.094 3.733 4.369 . 0 0 "[ . 1 . 2]" 1
772 1 83 ARG QB 1 84 VAL MG2 1.800 . 5.000 2.540 2.308 2.750 . 0 0 "[ . 1 . 2]" 1
773 1 83 ARG QG 1 84 VAL MG2 1.800 . 5.000 4.310 2.971 4.615 . 0 0 "[ . 1 . 2]" 1
774 1 84 VAL HA 1 85 VAL MG1 1.800 . 5.000 3.837 3.714 3.964 . 0 0 "[ . 1 . 2]" 1
775 1 84 VAL MG1 1 85 VAL HA 1.800 . 5.000 3.737 3.563 3.910 . 0 0 "[ . 1 . 2]" 1
776 1 85 VAL HA 1 86 THR HB 1.800 . 5.000 4.795 4.707 4.893 . 0 0 "[ . 1 . 2]" 1
777 1 85 VAL MG2 1 86 THR HA 1.800 . 5.000 4.269 4.012 4.386 . 0 0 "[ . 1 . 2]" 1
778 1 87 LEU HA 1 88 GLN QB 1.800 . 5.000 4.176 3.935 4.533 . 0 0 "[ . 1 . 2]" 1
779 1 89 LEU QB 1 90 GLU HA 1.800 . 5.000 4.116 3.770 4.330 . 0 0 "[ . 1 . 2]" 1
780 1 78 VAL MG1 1 79 GLU QB 1.800 . 5.000 3.241 2.419 4.254 . 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 48
_Distance_constraint_stats_list.Viol_count 75
_Distance_constraint_stats_list.Viol_total 32.791
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0079
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0219
_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 9 PRO 0.004 0.004 11 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.075 0.037 16 0 "[ . 1 . 2]"
1 15 LEU 0.068 0.023 14 0 "[ . 1 . 2]"
1 16 ILE 0.039 0.019 6 0 "[ . 1 . 2]"
1 18 LYS 0.098 0.047 11 0 "[ . 1 . 2]"
1 25 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PRO 0.068 0.023 14 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 0.199 0.063 17 0 "[ . 1 . 2]"
1 37 THR 0.004 0.004 11 0 "[ . 1 . 2]"
1 38 GLU 0.218 0.050 19 0 "[ . 1 . 2]"
1 45 ASN 0.647 0.082 15 0 "[ . 1 . 2]"
1 49 LEU 0.647 0.082 15 0 "[ . 1 . 2]"
1 50 PHE 0.249 0.039 10 0 "[ . 1 . 2]"
1 51 ALA 0.075 0.037 16 0 "[ . 1 . 2]"
1 52 TYR 0.019 0.019 11 0 "[ . 1 . 2]"
1 53 VAL 0.137 0.047 11 0 "[ . 1 . 2]"
1 61 GLY 0.023 0.023 5 0 "[ . 1 . 2]"
1 63 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.019 0.019 11 0 "[ . 1 . 2]"
1 70 GLU 0.249 0.039 10 0 "[ . 1 . 2]"
1 76 LYS 0.218 0.050 19 0 "[ . 1 . 2]"
1 79 GLU 0.199 0.063 17 0 "[ . 1 . 2]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.023 0.023 5 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 LEU H 1 35 VAL O 1.600 . 2.300 1.869 1.720 2.118 . 0 0 "[ . 1 . 2]" 2
2 1 11 LEU N 1 35 VAL O 2.600 2.600 3.300 2.757 2.658 3.007 . 0 0 "[ . 1 . 2]" 2
3 1 13 LEU H 1 33 VAL O 1.600 . 2.300 1.948 1.765 2.252 . 0 0 "[ . 1 . 2]" 2
4 1 13 LEU N 1 33 VAL O 2.600 2.600 3.300 2.828 2.650 3.055 . 0 0 "[ . 1 . 2]" 2
5 1 15 LEU H 1 31 PRO O 1.600 . 2.300 2.186 1.850 2.323 0.023 14 0 "[ . 1 . 2]" 2
6 1 15 LEU N 1 31 PRO O 2.600 2.600 3.300 3.073 2.812 3.199 . 0 0 "[ . 1 . 2]" 2
7 1 16 ILE H 1 51 ALA O 1.600 . 2.300 1.797 1.707 1.922 . 0 0 "[ . 1 . 2]" 2
8 1 16 ILE N 1 51 ALA O 2.600 2.600 3.300 2.736 2.675 2.818 . 0 0 "[ . 1 . 2]" 2
9 1 18 LYS H 1 53 VAL O 1.600 . 2.300 2.228 1.998 2.347 0.047 11 0 "[ . 1 . 2]" 2
10 1 18 LYS N 1 53 VAL O 2.600 2.600 3.300 3.135 2.954 3.277 . 0 0 "[ . 1 . 2]" 2
11 1 25 MET H 1 90 GLU O 1.600 . 2.300 1.873 1.691 2.171 . 0 0 "[ . 1 . 2]" 2
12 1 25 MET N 1 90 GLU O 2.600 2.600 3.300 2.825 2.672 3.130 . 0 0 "[ . 1 . 2]" 2
13 1 13 LEU O 1 33 VAL H 1.600 . 2.300 1.804 1.712 1.998 . 0 0 "[ . 1 . 2]" 2
14 1 13 LEU O 1 33 VAL N 2.600 2.600 3.300 2.704 2.618 2.782 . 0 0 "[ . 1 . 2]" 2
15 1 11 LEU O 1 35 VAL H 1.600 . 2.300 1.899 1.693 2.144 . 0 0 "[ . 1 . 2]" 2
16 1 11 LEU O 1 35 VAL N 2.600 2.600 3.300 2.834 2.654 3.098 . 0 0 "[ . 1 . 2]" 2
17 1 9 PRO O 1 37 THR H 1.600 . 2.300 1.988 1.687 2.304 0.004 11 0 "[ . 1 . 2]" 2
18 1 9 PRO O 1 37 THR N 2.600 2.600 3.300 2.936 2.643 3.248 . 0 0 "[ . 1 . 2]" 2
19 1 38 GLU H 1 76 LYS O 1.600 . 2.300 1.814 1.658 2.305 0.005 10 0 "[ . 1 . 2]" 2
20 1 38 GLU N 1 76 LYS O 2.600 2.600 3.300 2.740 2.616 3.218 . 0 0 "[ . 1 . 2]" 2
21 1 14 SER O 1 51 ALA H 1.600 . 2.300 2.145 1.764 2.337 0.037 16 0 "[ . 1 . 2]" 2
22 1 14 SER O 1 51 ALA N 2.600 2.600 3.300 3.100 2.741 3.273 . 0 0 "[ . 1 . 2]" 2
23 1 52 TYR H 1 68 LYS O 1.600 . 2.300 1.769 1.660 1.904 . 0 0 "[ . 1 . 2]" 2
24 1 52 TYR N 1 68 LYS O 2.600 2.600 3.300 2.734 2.644 2.881 . 0 0 "[ . 1 . 2]" 2
25 1 45 ASN O 1 49 LEU H 1.600 . 2.300 2.315 2.169 2.382 0.082 15 0 "[ . 1 . 2]" 2
26 1 45 ASN O 1 49 LEU N 2.600 2.600 3.300 3.143 3.018 3.282 . 0 0 "[ . 1 . 2]" 2
27 1 16 ILE O 1 53 VAL H 1.600 . 2.300 2.157 1.927 2.319 0.019 6 0 "[ . 1 . 2]" 2
28 1 16 ILE O 1 53 VAL N 2.600 2.600 3.300 3.091 2.875 3.285 . 0 0 "[ . 1 . 2]" 2
29 1 63 HIS H 1 87 LEU O 1.600 . 2.300 2.001 1.790 2.167 . 0 0 "[ . 1 . 2]" 2
30 1 63 HIS N 1 87 LEU O 2.600 2.600 3.300 2.950 2.737 3.123 . 0 0 "[ . 1 . 2]" 2
31 1 65 TYR H 1 85 VAL O 1.600 . 2.300 1.798 1.731 1.883 . 0 0 "[ . 1 . 2]" 2
32 1 65 TYR N 1 85 VAL O 2.600 2.600 3.300 2.761 2.697 2.846 . 0 0 "[ . 1 . 2]" 2
33 1 52 TYR O 1 68 LYS H 1.600 . 2.300 1.960 1.715 2.319 0.019 11 0 "[ . 1 . 2]" 2
34 1 52 TYR O 1 68 LYS N 2.600 2.600 3.300 2.863 2.672 3.144 . 0 0 "[ . 1 . 2]" 2
35 1 50 PHE O 1 70 GLU H 1.600 . 2.300 2.206 1.842 2.339 0.039 10 0 "[ . 1 . 2]" 2
36 1 50 PHE O 1 70 GLU N 2.600 2.600 3.300 3.170 2.818 3.306 0.006 8 0 "[ . 1 . 2]" 2
37 1 38 GLU O 1 76 LYS H 1.600 . 2.300 2.211 1.829 2.350 0.050 19 0 "[ . 1 . 2]" 2
38 1 38 GLU O 1 76 LYS N 2.600 2.600 3.300 3.134 2.803 3.278 . 0 0 "[ . 1 . 2]" 2
39 1 36 LYS O 1 79 GLU H 1.600 . 2.300 2.272 1.949 2.363 0.063 17 0 "[ . 1 . 2]" 2
40 1 36 LYS O 1 79 GLU N 2.600 2.600 3.300 3.204 2.900 3.298 . 0 0 "[ . 1 . 2]" 2
41 1 65 TYR O 1 85 VAL H 1.600 . 2.300 1.912 1.791 2.098 . 0 0 "[ . 1 . 2]" 2
42 1 65 TYR O 1 85 VAL N 2.600 2.600 3.300 2.863 2.753 3.041 . 0 0 "[ . 1 . 2]" 2
43 1 63 HIS O 1 87 LEU H 1.600 . 2.300 1.911 1.773 2.221 . 0 0 "[ . 1 . 2]" 2
44 1 63 HIS O 1 87 LEU N 2.600 2.600 3.300 2.795 2.724 3.037 . 0 0 "[ . 1 . 2]" 2
45 1 61 GLY O 1 89 LEU H 1.600 . 2.300 1.949 1.715 2.323 0.023 5 0 "[ . 1 . 2]" 2
46 1 61 GLY O 1 89 LEU N 2.600 2.600 3.300 2.887 2.686 3.173 . 0 0 "[ . 1 . 2]" 2
47 1 25 MET O 1 90 GLU H 1.600 . 2.300 1.774 1.666 2.194 . 0 0 "[ . 1 . 2]" 2
48 1 25 MET O 1 90 GLU N 2.600 2.600 3.300 2.730 2.631 3.139 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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