NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
376777 |
1fr0   |
4857 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fr0
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 920
_Distance_constraint_stats_list.Viol_count 606
_Distance_constraint_stats_list.Viol_total 841.982
_Distance_constraint_stats_list.Viol_max 0.231
_Distance_constraint_stats_list.Viol_rms 0.0093
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0463
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 LEU 2.052 0.111 13 0 "[ . 1 . 2 . 3]"
1 12 LEU 2.472 0.176 11 0 "[ . 1 . 2 . 3]"
1 13 ASP 0.338 0.055 30 0 "[ . 1 . 2 . 3]"
1 14 ILE 1.245 0.169 27 0 "[ . 1 . 2 . 3]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 MET 0.041 0.008 27 0 "[ . 1 . 2 . 3]"
1 17 LEU 4.288 0.231 17 0 "[ . 1 . 2 . 3]"
1 18 GLU 0.047 0.027 3 0 "[ . 1 . 2 . 3]"
1 19 GLN 0.069 0.064 27 0 "[ . 1 . 2 . 3]"
1 20 TYR 1.887 0.208 11 0 "[ . 1 . 2 . 3]"
1 21 LEU 0.387 0.119 27 0 "[ . 1 . 2 . 3]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 23 LEU 0.514 0.091 18 0 "[ . 1 . 2 . 3]"
1 24 VAL 0.065 0.025 7 0 "[ . 1 . 2 . 3]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 PRO 0.089 0.089 3 0 "[ . 1 . 2 . 3]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 28 LEU 0.092 0.025 7 0 "[ . 1 . 2 . 3]"
1 29 ILE 1.720 0.208 11 0 "[ . 1 . 2 . 3]"
1 30 THR 0.056 0.028 16 0 "[ . 1 . 2 . 3]"
1 31 ASP 0.063 0.028 16 0 "[ . 1 . 2 . 3]"
1 32 GLY 0.005 0.005 28 0 "[ . 1 . 2 . 3]"
1 33 LEU 0.133 0.088 20 0 "[ . 1 . 2 . 3]"
1 34 ALA 0.009 0.007 11 0 "[ . 1 . 2 . 3]"
1 35 VAL 0.093 0.024 20 0 "[ . 1 . 2 . 3]"
1 36 PHE 0.013 0.007 11 0 "[ . 1 . 2 . 3]"
1 37 GLU 0.043 0.018 26 0 "[ . 1 . 2 . 3]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 39 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 PRO 0.052 0.028 10 0 "[ . 1 . 2 . 3]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 44 VAL 0.086 0.028 10 0 "[ . 1 . 2 . 3]"
1 45 SER 0.183 0.028 1 0 "[ . 1 . 2 . 3]"
1 46 VAL 0.013 0.009 7 0 "[ . 1 . 2 . 3]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 GLU 0.183 0.028 1 0 "[ . 1 . 2 . 3]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 ASN 0.094 0.022 7 0 "[ . 1 . 2 . 3]"
1 51 LEU 0.014 0.012 28 0 "[ . 1 . 2 . 3]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 53 ALA 0.064 0.019 11 0 "[ . 1 . 2 . 3]"
1 54 GLN 0.044 0.022 7 0 "[ . 1 . 2 . 3]"
1 55 ASP 0.072 0.025 23 0 "[ . 1 . 2 . 3]"
1 56 LYS 0.017 0.007 15 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.026 0.026 5 0 "[ . 1 . 2 . 3]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 ILE 0.089 0.025 23 0 "[ . 1 . 2 . 3]"
1 60 VAL 0.032 0.026 5 0 "[ . 1 . 2 . 3]"
1 61 GLU 1.791 0.101 26 0 "[ . 1 . 2 . 3]"
1 62 GLU 0.131 0.064 20 0 "[ . 1 . 2 . 3]"
1 63 GLY 0.011 0.011 7 0 "[ . 1 . 2 . 3]"
1 64 HIS 1.817 0.101 26 0 "[ . 1 . 2 . 3]"
1 65 LYS 0.077 0.021 8 0 "[ . 1 . 2 . 3]"
1 66 ILE 0.101 0.064 20 0 "[ . 1 . 2 . 3]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 70 ALA 0.005 0.005 6 0 "[ . 1 . 2 . 3]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 72 SER 2.486 0.114 9 0 "[ . 1 . 2 . 3]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 GLY 0.340 0.055 30 0 "[ . 1 . 2 . 3]"
1 75 LEU 6.390 0.196 5 0 "[ . 1 . 2 . 3]"
1 76 ARG 2.059 0.111 13 0 "[ . 1 . 2 . 3]"
1 77 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 78 LEU 0.054 0.025 1 0 "[ . 1 . 2 . 3]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 GLN 0.008 0.008 13 0 "[ . 1 . 2 . 3]"
1 81 LEU 0.122 0.029 22 0 "[ . 1 . 2 . 3]"
1 82 GLY 0.008 0.008 13 0 "[ . 1 . 2 . 3]"
1 83 GLN 0.005 0.005 25 0 "[ . 1 . 2 . 3]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 85 ILE 0.011 0.011 7 0 "[ . 1 . 2 . 3]"
1 86 GLN 0.005 0.005 15 0 "[ . 1 . 2 . 3]"
1 87 SER 1.087 0.087 7 0 "[ . 1 . 2 . 3]"
1 88 PRO 1.094 0.053 1 0 "[ . 1 . 2 . 3]"
1 89 ASP 1.246 0.060 1 0 "[ . 1 . 2 . 3]"
1 90 LEU 3.379 0.118 22 0 "[ . 1 . 2 . 3]"
1 91 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 92 ALA 0.166 0.029 13 0 "[ . 1 . 2 . 3]"
1 93 TRP 1.778 0.118 22 0 "[ . 1 . 2 . 3]"
1 94 GLU 0.464 0.041 5 0 "[ . 1 . 2 . 3]"
1 95 ASP 0.225 0.029 13 0 "[ . 1 . 2 . 3]"
1 96 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 97 VAL 0.001 0.001 26 0 "[ . 1 . 2 . 3]"
1 98 GLY 0.059 0.023 4 0 "[ . 1 . 2 . 3]"
1 99 GLU 0.172 0.027 26 0 "[ . 1 . 2 . 3]"
1 100 TRP 0.024 0.023 10 0 "[ . 1 . 2 . 3]"
1 101 ILE 0.059 0.020 12 0 "[ . 1 . 2 . 3]"
1 102 GLU 0.195 0.027 26 0 "[ . 1 . 2 . 3]"
1 103 GLU 0.059 0.020 12 0 "[ . 1 . 2 . 3]"
1 104 MET 0.541 0.049 11 0 "[ . 1 . 2 . 3]"
1 105 LYS 0.096 0.022 10 0 "[ . 1 . 2 . 3]"
1 106 GLU 0.766 0.049 11 0 "[ . 1 . 2 . 3]"
1 107 GLU 0.064 0.026 8 0 "[ . 1 . 2 . 3]"
1 108 TRP 0.055 0.025 1 0 "[ . 1 . 2 . 3]"
1 109 ARG 0.355 0.044 15 0 "[ . 1 . 2 . 3]"
1 110 HIS 1.465 0.092 15 0 "[ . 1 . 2 . 3]"
1 111 ASP 1.081 0.172 15 0 "[ . 1 . 2 . 3]"
1 112 VAL 2.564 0.196 5 0 "[ . 1 . 2 . 3]"
1 113 GLU 0.150 0.060 10 0 "[ . 1 . 2 . 3]"
1 114 VAL 2.059 0.176 11 0 "[ . 1 . 2 . 3]"
1 115 LEU 4.369 0.231 17 0 "[ . 1 . 2 . 3]"
1 116 LYS 0.238 0.088 20 0 "[ . 1 . 2 . 3]"
1 117 ALA 0.020 0.020 23 0 "[ . 1 . 2 . 3]"
1 118 TRP 0.027 0.011 28 0 "[ . 1 . 2 . 3]"
1 119 VAL 0.020 0.020 23 0 "[ . 1 . 2 . 3]"
1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 121 LYS 0.027 0.011 28 0 "[ . 1 . 2 . 3]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 123 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 124 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 125 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 1 124 LYS HA 1 125 LYS H 3.000 . 3.000 2.484 2.213 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 122 ALA HA 1 124 LYS H 5.000 . 5.000 4.335 3.589 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 122 ALA HA 1 123 THR H 4.000 . 4.000 3.502 3.325 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 119 VAL HA 1 123 THR H 5.000 . 5.000 3.880 2.917 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 119 VAL HA 1 122 ALA H 5.000 . 5.000 3.627 3.173 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 119 VAL HA 1 121 LYS H 5.000 . 5.000 4.074 3.578 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 117 ALA HA 1 121 LYS H 5.000 . 5.000 4.296 3.688 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 119 VAL HA 1 120 ALA H 4.000 . 4.000 3.546 3.419 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 117 ALA HA 1 120 ALA H 4.000 . 4.000 3.442 3.199 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 116 LYS HA 1 120 ALA H 5.000 . 5.000 4.434 4.143 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 118 TRP HA 1 119 VAL H 4.000 . 4.000 3.579 3.549 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 117 ALA HA 1 119 VAL H 5.000 . 5.000 4.573 4.210 5.020 0.020 23 0 "[ . 1 . 2 . 3]" 1
13 1 116 LYS HA 1 119 VAL H 5.000 . 5.000 3.670 3.300 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 115 LEU HA 1 119 VAL H 5.000 . 5.000 4.395 3.852 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 117 ALA HA 1 118 TRP H 4.000 . 4.000 3.543 3.479 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 115 LEU HA 1 118 TRP H 4.000 . 4.000 3.521 3.295 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 114 VAL HA 1 118 TRP H 5.000 . 5.000 4.163 3.838 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 115 LEU HA 1 117 ALA H 5.000 . 5.000 4.703 4.290 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 114 VAL HA 1 117 ALA H 4.000 . 4.000 3.479 3.257 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 113 GLU HA 1 117 ALA H 5.000 . 5.000 4.473 3.944 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 115 LEU HA 1 116 LYS H 5.000 . 5.000 3.574 3.512 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 113 GLU HA 1 116 LYS H 4.000 . 4.000 3.855 3.451 4.027 0.027 20 0 "[ . 1 . 2 . 3]" 1
23 1 110 HIS HA 1 114 VAL H 6.000 . 6.000 3.972 3.652 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 110 HIS HA 1 113 GLU H 4.000 . 4.000 3.508 3.146 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 109 ARG HA 1 113 GLU H 5.000 . 5.000 4.181 3.878 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 111 ASP HA 1 112 VAL H 4.000 . 4.000 3.573 3.535 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 109 ARG HA 1 112 VAL H 5.000 . 5.000 3.486 3.305 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 110 HIS HA 1 111 ASP H 4.000 . 4.000 3.580 3.542 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 108 TRP HA 1 111 ASP H 5.000 . 5.000 3.471 3.199 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 107 GLU HA 1 111 ASP H 5.000 . 5.000 4.604 4.451 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 108 TRP HA 1 110 HIS H 5.000 . 5.000 4.668 4.259 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 107 GLU HA 1 110 HIS H 4.000 . 4.000 3.605 3.377 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 108 TRP HA 1 109 ARG H 5.000 . 5.000 3.586 3.572 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 107 GLU HA 1 109 ARG H 5.000 . 5.000 4.478 4.281 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 106 GLU HA 1 109 ARG H 5.000 . 5.000 4.996 4.897 5.044 0.044 15 0 "[ . 1 . 2 . 3]" 1
36 1 105 LYS HA 1 109 ARG H 5.000 . 5.000 4.879 4.566 5.022 0.022 10 0 "[ . 1 . 2 . 3]" 1
37 1 107 GLU HA 1 108 TRP H 4.000 . 4.000 3.583 3.547 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 106 GLU HA 1 108 TRP H 5.000 . 5.000 4.821 4.522 5.008 0.008 16 0 "[ . 1 . 2 . 3]" 1
39 1 105 LYS HA 1 108 TRP H 5.000 . 5.000 4.171 3.950 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 104 MET HA 1 108 TRP H 5.000 . 5.000 3.461 3.142 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 106 GLU HA 1 107 GLU H 5.000 . 5.000 2.675 2.597 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 104 MET HA 1 107 GLU H 5.000 . 5.000 4.850 4.522 5.026 0.026 8 0 "[ . 1 . 2 . 3]" 1
43 1 104 MET HA 1 106 GLU H 5.000 . 5.000 4.998 4.804 5.049 0.049 11 0 "[ . 1 . 2 . 3]" 1
44 1 104 MET HA 1 105 LYS H 5.000 . 5.000 3.579 3.521 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 101 ILE HA 1 105 LYS H 5.000 . 5.000 3.959 3.385 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 101 ILE HA 1 104 MET H 5.000 . 5.000 3.699 3.438 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 100 TRP HA 1 104 MET H 5.000 . 5.000 4.017 3.760 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 101 ILE HA 1 103 GLU H 5.000 . 5.000 4.866 4.598 5.020 0.020 12 0 "[ . 1 . 2 . 3]" 1
49 1 100 TRP HA 1 103 GLU H 5.000 . 5.000 4.127 3.648 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 100 TRP HA 1 102 GLU H 5.000 . 5.000 4.761 4.374 5.023 0.023 10 0 "[ . 1 . 2 . 3]" 1
51 1 99 GLU HA 1 101 ILE H 5.000 . 5.000 4.589 4.189 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 97 VAL HA 1 101 ILE H 5.000 . 5.000 4.051 3.631 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 99 GLU HA 1 100 TRP H 5.000 . 5.000 3.512 3.444 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 97 VAL HA 1 100 TRP H 4.000 . 4.000 3.241 3.003 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 96 ASN HA 1 100 TRP H 5.000 . 5.000 4.587 4.245 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 98 GLY QA 1 99 GLU H 4.000 . 5.000 2.596 2.457 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 97 VAL HA 1 99 GLU H 5.000 . 5.000 4.654 4.352 5.001 0.001 26 0 "[ . 1 . 2 . 3]" 1
58 1 96 ASN HA 1 99 GLU H 5.000 . 5.000 3.489 3.307 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 97 VAL HA 1 98 GLY H 4.000 . 4.000 3.576 3.537 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 96 ASN HA 1 98 GLY H 5.000 . 5.000 4.009 3.535 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 95 ASP HA 1 98 GLY H 5.000 . 5.000 4.756 4.340 5.023 0.023 4 0 "[ . 1 . 2 . 3]" 1
62 1 96 ASN HA 1 97 VAL H 5.000 . 5.000 3.428 3.257 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 94 GLU HA 1 97 VAL H 5.000 . 5.000 3.887 3.547 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 93 TRP HA 1 97 VAL H 5.000 . 5.000 3.711 3.365 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 95 ASP HA 1 96 ASN H 5.000 . 5.000 3.422 3.304 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 94 GLU HA 1 96 ASN H 5.000 . 5.000 4.234 4.010 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 93 TRP HA 1 96 ASN H 5.000 . 5.000 3.192 2.881 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 94 GLU HA 1 95 ASP H 4.000 . 4.000 3.427 3.331 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 93 TRP HA 1 95 ASP H 5.000 . 5.000 3.752 3.617 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 93 TRP HA 1 94 GLU H 5.000 . 5.000 3.568 3.516 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 92 ALA HA 1 94 GLU H 5.000 . 5.000 4.459 4.144 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 91 PRO HA 1 94 GLU H 5.000 . 5.000 4.082 3.887 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 92 ALA HA 1 93 TRP H 4.000 . 4.000 3.472 3.430 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 87 SER HA 1 90 LEU H 5.000 . 5.000 4.999 4.863 5.058 0.058 23 0 "[ . 1 . 2 . 3]" 1
75 1 87 SER HA 1 89 ASP H 4.000 . 4.000 3.736 3.038 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 84 GLN HA 1 87 SER H 5.000 . 5.000 3.989 3.754 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 85 ILE HA 1 86 GLN H 4.000 . 4.000 3.470 3.424 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 84 GLN HA 1 86 GLN H 5.000 . 5.000 3.769 3.563 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 82 GLY QA 1 86 GLN H 5.000 . 6.000 4.180 3.922 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 82 GLY QA 1 85 ILE H 5.000 . 6.000 2.931 2.728 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 82 GLY QA 1 84 GLN H 5.000 . 6.000 3.767 3.459 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 80 GLN HA 1 84 GLN H 5.000 . 5.000 4.456 4.088 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 82 GLY QA 1 83 GLN H 4.000 . 5.000 2.650 2.548 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 80 GLN HA 1 83 GLN H 4.000 . 4.000 3.469 3.259 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 80 GLN HA 1 82 GLY H 5.000 . 5.000 4.568 4.085 5.008 0.008 13 0 "[ . 1 . 2 . 3]" 1
86 1 80 GLN HA 1 81 LEU H 4.000 . 4.000 3.587 3.559 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 76 ARG HA 1 80 GLN H 5.000 . 5.000 4.090 3.684 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 76 ARG HA 1 79 GLN H 4.000 . 4.000 3.454 3.084 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 77 HIS HA 1 78 LEU H 4.000 . 4.000 3.573 3.506 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 76 ARG HA 1 78 LEU H 5.000 . 5.000 4.478 4.012 4.985 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 76 ARG HA 1 77 HIS H 4.000 . 4.000 3.531 3.468 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 75 LEU HA 1 76 ARG H 4.000 . 4.000 2.473 2.418 2.525 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 74 GLY QA 1 76 ARG H 5.000 . 6.000 3.951 3.804 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 11 LEU HA 1 76 ARG H 5.000 . 5.000 5.068 5.041 5.111 0.111 13 0 "[ . 1 . 2 . 3]" 1
95 1 73 VAL HA 1 75 LEU H 5.000 . 5.000 4.670 4.504 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 72 SER HA 1 75 LEU H 5.000 . 5.000 5.083 5.062 5.114 0.114 9 0 "[ . 1 . 2 . 3]" 1
97 1 73 VAL HA 1 74 GLY H 4.000 . 4.000 3.283 3.162 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 72 SER HA 1 74 GLY H 5.000 . 5.000 3.555 3.423 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 69 ALA HA 1 71 GLY H 5.000 . 5.000 4.492 4.084 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 69 ALA HA 1 70 ALA H 4.000 . 4.000 3.574 3.525 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 66 ILE HA 1 70 ALA H 5.000 . 5.000 4.203 3.715 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 66 ILE HA 1 69 ALA H 4.000 . 4.000 3.628 3.394 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 66 ILE HA 1 68 GLY H 5.000 . 5.000 4.350 3.920 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 64 HIS HA 1 68 GLY H 5.000 . 5.000 3.172 2.563 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 63 GLY QA 1 67 LYS H 5.000 . 6.000 3.692 3.472 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 65 LYS HA 1 66 ILE H 5.000 . 5.000 3.587 3.567 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 64 HIS HA 1 66 ILE H 5.000 . 5.000 4.767 4.283 5.026 0.026 2 0 "[ . 1 . 2 . 3]" 1
108 1 63 GLY QA 1 66 ILE H 5.000 . 6.000 3.903 3.319 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 62 GLU HA 1 66 ILE H 5.000 . 5.000 3.363 2.944 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 63 GLY QA 1 64 HIS H 4.000 . 5.000 2.477 2.359 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 61 GLU HA 1 64 HIS H 4.000 . 4.000 4.060 4.000 4.101 0.101 26 0 "[ . 1 . 2 . 3]" 1
112 1 59 ILE HA 1 62 GLU H 5.000 . 5.000 4.008 3.482 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 58 GLY QA 1 62 GLU H 5.000 . 6.000 3.657 3.079 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 58 GLY QA 1 61 GLU H 4.000 . 5.000 3.600 3.112 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 57 LYS HA 1 60 VAL H 4.000 . 4.000 3.759 3.293 4.026 0.026 5 0 "[ . 1 . 2 . 3]" 1
116 1 58 GLY QA 1 59 ILE H 4.000 . 5.000 2.677 2.522 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 56 LYS HA 1 59 ILE H 4.000 . 4.000 3.752 3.369 4.007 0.007 15 0 "[ . 1 . 2 . 3]" 1
118 1 55 ASP HA 1 59 ILE H 5.000 . 5.000 4.875 4.574 5.025 0.025 23 0 "[ . 1 . 2 . 3]" 1
119 1 55 ASP HA 1 58 GLY H 5.000 . 5.000 4.020 3.620 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 55 ASP HA 1 57 LYS H 5.000 . 5.000 3.810 3.181 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 55 ASP HA 1 56 LYS H 4.000 . 4.000 2.572 2.342 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 54 GLN HA 1 56 LYS H 5.000 . 5.000 4.067 3.450 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 54 GLN HA 1 55 ASP H 4.000 . 4.000 2.914 2.801 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 53 ALA HA 1 55 ASP H 5.000 . 5.000 4.826 4.504 5.009 0.009 26 0 "[ . 1 . 2 . 3]" 1
125 1 51 LEU HA 1 55 ASP H 5.000 . 5.000 3.582 2.973 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 53 ALA HA 1 54 GLN H 5.000 . 5.000 3.255 3.176 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 52 THR HA 1 54 GLN H 5.000 . 5.000 3.693 3.487 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 51 LEU HA 1 54 GLN H 5.000 . 5.000 3.655 3.203 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 50 ASN HA 1 54 GLN H 5.000 . 5.000 4.887 4.606 5.022 0.022 7 0 "[ . 1 . 2 . 3]" 1
130 1 52 THR HA 1 53 ALA H 4.000 . 4.000 3.482 3.351 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 50 ASN HA 1 53 ALA H 4.000 . 4.000 3.267 3.129 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 50 ASN HA 1 52 THR H 5.000 . 5.000 4.409 4.027 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 49 SER HA 1 52 THR H 4.000 . 4.000 3.797 3.440 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 48 GLU HA 1 51 LEU H 4.000 . 4.000 3.343 3.148 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 49 SER HA 1 50 ASN H 4.000 . 4.000 3.563 3.504 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 47 LEU HA 1 50 ASN H 4.000 . 4.000 3.641 3.311 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 46 VAL HA 1 50 ASN H 5.000 . 5.000 4.226 3.721 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 46 VAL HA 1 49 SER H 4.000 . 4.000 3.473 3.214 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 45 SER HA 1 49 SER H 5.000 . 5.000 4.502 4.223 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 46 VAL HA 1 48 GLU H 5.000 . 5.000 4.557 4.015 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 45 SER HA 1 48 GLU H 4.000 . 4.000 3.681 3.401 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 44 VAL HA 1 48 GLU H 5.000 . 5.000 4.237 3.866 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 46 VAL HA 1 47 LEU H 5.000 . 5.000 3.533 3.469 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 44 VAL HA 1 47 LEU H 4.000 . 4.000 3.348 3.173 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 43 TYR HA 1 47 LEU H 5.000 . 5.000 4.436 4.031 4.726 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 45 SER HA 1 46 VAL H 5.000 . 5.000 3.589 3.578 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 44 VAL HA 1 46 VAL H 5.000 . 5.000 4.741 4.455 5.009 0.009 7 0 "[ . 1 . 2 . 3]" 1
148 1 43 TYR HA 1 46 VAL H 5.000 . 5.000 3.740 3.389 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 42 GLY QA 1 46 VAL H 5.000 . 6.000 4.031 3.578 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 44 VAL HA 1 45 SER H 5.000 . 5.000 3.553 3.511 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 43 TYR HA 1 45 SER H 5.000 . 5.000 4.359 4.002 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 42 GLY QA 1 45 SER H 5.000 . 6.000 3.530 3.335 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 43 TYR HA 1 44 VAL H 5.000 . 5.000 3.587 3.560 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 42 GLY QA 1 44 VAL H 5.000 . 6.000 4.503 4.080 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 42 GLY QA 1 43 TYR H 4.000 . 5.000 2.763 2.680 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 39 MET HA 1 43 TYR H 5.000 . 5.000 4.038 3.805 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 39 MET HA 1 42 GLY H 5.000 . 5.000 3.157 2.948 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 39 MET HA 1 40 MET H 5.000 . 5.000 3.315 3.157 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 37 GLU HA 1 40 MET H 5.000 . 5.000 3.452 3.085 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 37 GLU HA 1 38 LYS H 4.000 . 4.000 3.542 3.445 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 35 VAL HA 1 38 LYS H 4.000 . 4.000 3.611 3.396 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 34 ALA HA 1 38 LYS H 5.000 . 5.000 4.441 4.098 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 35 VAL HA 1 37 GLU H 5.000 . 5.000 4.419 3.855 5.018 0.018 26 0 "[ . 1 . 2 . 3]" 1
164 1 34 ALA HA 1 37 GLU H 5.000 . 5.000 3.671 3.389 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 33 LEU HA 1 37 GLU H 5.000 . 5.000 3.931 3.256 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 35 VAL HA 1 36 PHE H 5.000 . 5.000 3.561 3.498 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 34 ALA HA 1 36 PHE H 5.000 . 5.000 4.551 4.029 5.007 0.007 11 0 "[ . 1 . 2 . 3]" 1
168 1 33 LEU HA 1 36 PHE H 4.000 . 4.000 3.573 3.202 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 34 ALA HA 1 35 VAL H 5.000 . 5.000 3.589 3.568 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 33 LEU HA 1 35 VAL H 5.000 . 5.000 4.820 4.168 5.024 0.024 20 0 "[ . 1 . 2 . 3]" 1
171 1 32 GLY QA 1 35 VAL H 5.000 . 6.000 3.710 3.432 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 31 ASP HA 1 35 VAL H 5.000 . 5.000 4.330 4.104 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 33 LEU HA 1 34 ALA H 5.000 . 5.000 3.555 3.478 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 31 ASP HA 1 34 ALA H 5.000 . 5.000 3.521 3.302 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 31 ASP HA 1 33 LEU H 5.000 . 5.000 4.477 3.972 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 31 ASP HA 1 32 GLY H 5.000 . 5.000 3.586 3.559 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 30 THR HA 1 31 ASP H 4.000 . 4.000 3.574 3.514 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 29 ILE HA 1 30 THR H 4.000 . 4.000 3.581 3.553 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 24 VAL HA 1 25 GLY H 5.000 . 5.000 3.523 3.221 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 23 LEU HA 1 24 VAL H 5.000 . 5.000 3.585 3.550 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 21 LEU HA 1 24 VAL H 5.000 . 5.000 4.063 3.521 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 22 GLU HA 1 23 LEU H 5.000 . 5.000 3.432 3.184 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 20 TYR HA 1 23 LEU H 5.000 . 5.000 3.607 3.012 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 21 LEU HA 1 22 GLU H 5.000 . 5.000 3.530 3.454 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 20 TYR HA 1 22 GLU H 5.000 . 5.000 4.233 3.968 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 19 GLN HA 1 22 GLU H 4.000 . 4.000 3.323 3.086 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 20 TYR HA 1 21 LEU H 5.000 . 5.000 3.561 3.504 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 18 GLU HA 1 21 LEU H 4.000 . 4.000 3.586 3.343 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 19 GLN HA 1 20 TYR H 4.000 . 4.000 3.590 3.584 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 17 LEU HA 1 20 TYR H 4.000 . 4.000 3.698 3.378 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 16 MET HA 1 19 GLN H 4.000 . 4.000 3.601 3.257 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 17 LEU HA 1 18 GLU H 5.000 . 5.000 3.580 3.553 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 15 PRO HA 1 18 GLU H 5.000 . 5.000 3.656 3.292 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 14 ILE HA 1 18 GLU H 5.000 . 5.000 4.138 3.797 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 15 PRO HA 1 17 LEU H 5.000 . 5.000 4.612 4.310 4.948 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 14 ILE HA 1 17 LEU H 5.000 . 5.000 4.018 3.771 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 15 PRO HA 1 16 MET H 5.000 . 5.000 3.592 3.564 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 14 ILE HA 1 16 MET H 5.000 . 5.000 4.885 4.574 5.008 0.008 27 0 "[ . 1 . 2 . 3]" 1
199 1 13 ASP HA 1 16 MET H 5.000 . 5.000 4.184 3.917 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 13 ASP HA 1 14 ILE H 5.000 . 5.000 2.226 2.188 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 12 LEU HA 1 13 ASP H 4.000 . 4.000 2.418 2.283 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 11 LEU HA 1 12 LEU H 5.000 . 5.000 3.513 3.436 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 9 GLU HA 1 12 LEU H 5.000 . 5.000 3.639 2.992 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 9 GLU HA 1 10 ALA H 5.000 . 5.000 3.513 3.389 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 7 LYS HA 1 9 GLU H 5.000 . 5.000 4.067 3.294 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 9 GLU H 1 10 ALA H 4.000 . 4.000 2.208 1.852 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 11 LEU H 1 12 LEU H 4.000 . 4.000 2.221 2.148 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 12 LEU H 1 13 ASP H 5.000 . 5.000 4.465 4.402 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 13 ASP H 1 14 ILE H 5.000 . 5.000 4.360 4.114 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 14 ILE H 1 16 MET H 5.000 . 5.000 4.214 3.916 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 16 MET H 1 17 LEU H 4.000 . 4.000 2.771 2.587 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 16 MET H 1 18 GLU H 5.000 . 5.000 4.327 4.079 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 16 MET H 1 19 GLN H 5.000 . 5.000 4.831 4.622 5.005 0.005 7 0 "[ . 1 . 2 . 3]" 1
214 1 17 LEU H 1 18 GLU H 4.000 . 4.000 2.803 2.614 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 18 GLU H 1 19 GLN H 4.000 . 4.000 2.818 2.636 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 18 GLU H 1 20 TYR H 5.000 . 5.000 4.559 4.194 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 18 GLU H 1 21 LEU H 5.000 . 5.000 4.926 4.792 5.027 0.027 3 0 "[ . 1 . 2 . 3]" 1
218 1 17 LEU H 1 19 GLN H 5.000 . 5.000 4.243 3.808 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 19 GLN H 1 20 TYR H 4.000 . 4.000 2.934 2.712 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 21 LEU H 1 22 GLU H 4.000 . 4.000 2.647 2.434 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 22 GLU H 1 23 LEU H 4.000 . 4.000 2.584 2.406 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 21 LEU H 1 23 LEU H 5.000 . 5.000 4.117 3.643 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 21 LEU H 1 24 VAL H 6.000 . 6.000 5.031 4.620 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 22 GLU H 1 24 VAL H 5.000 . 5.000 4.549 4.039 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 22 GLU H 1 25 GLY H 6.000 . 6.000 4.657 4.185 5.694 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 25 GLY H 1 28 LEU H 6.000 . 6.000 4.776 3.462 5.958 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 27 LYS H 1 28 LEU H 4.000 . 4.000 2.913 2.490 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 27 LYS H 1 29 ILE H 5.000 . 5.000 3.924 3.551 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 28 LEU H 1 30 THR H 5.000 . 5.000 4.387 3.961 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 28 LEU H 1 31 ASP H 5.000 . 5.000 4.823 4.473 5.011 0.011 14 0 "[ . 1 . 2 . 3]" 1
231 1 28 LEU H 1 29 ILE H 4.000 . 4.000 2.652 2.448 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 29 ILE H 1 30 THR H 4.000 . 4.000 2.691 2.482 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 29 ILE H 1 31 ASP H 5.000 . 5.000 4.186 3.622 5.008 0.008 19 0 "[ . 1 . 2 . 3]" 1
234 1 27 LYS H 1 30 THR H 5.000 . 5.000 4.516 4.226 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 30 THR H 1 31 ASP H 4.000 . 4.000 2.691 2.497 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 30 THR H 1 32 GLY H 5.000 . 5.000 4.459 3.810 5.005 0.005 28 0 "[ . 1 . 2 . 3]" 1
237 1 30 THR H 1 33 LEU H 5.000 . 5.000 4.638 4.429 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 31 ASP H 1 32 GLY H 4.000 . 4.000 2.884 2.619 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 32 GLY H 1 33 LEU H 4.000 . 4.000 2.836 2.663 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 33 LEU H 1 35 VAL H 5.000 . 5.000 4.593 4.127 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 33 LEU H 1 34 ALA H 4.000 . 4.000 2.709 2.488 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 34 ALA H 1 35 VAL H 4.000 . 4.000 2.922 2.707 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 35 VAL H 1 36 PHE H 4.000 . 4.000 2.768 2.452 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 36 PHE H 1 37 GLU H 4.000 . 4.000 2.692 2.474 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 37 GLU H 1 38 LYS H 4.000 . 4.000 2.658 2.503 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 36 PHE H 1 38 LYS H 5.000 . 5.000 4.196 3.751 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 38 LYS H 1 39 MET H 4.000 . 4.000 2.632 2.441 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 37 GLU H 1 39 MET H 5.000 . 5.000 4.214 3.755 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 42 GLY H 1 45 SER H 5.000 . 5.000 4.723 4.570 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 42 GLY H 1 44 VAL H 5.000 . 5.000 4.457 3.940 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 43 TYR H 1 44 VAL H 4.000 . 4.000 2.822 2.625 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 44 VAL H 1 45 SER H 4.000 . 4.000 2.776 2.503 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 45 SER H 1 46 VAL H 4.000 . 4.000 2.925 2.738 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 46 VAL H 1 47 LEU H 4.000 . 4.000 2.703 2.536 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 45 SER H 1 48 GLU H 5.000 . 5.000 4.937 4.704 5.028 0.028 1 0 "[ . 1 . 2 . 3]" 1
256 1 46 VAL H 1 48 GLU H 5.000 . 5.000 4.529 4.102 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 48 GLU H 1 49 SER H 4.000 . 4.000 2.791 2.594 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 49 SER H 1 50 ASN H 4.000 . 4.000 2.818 2.673 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 50 ASN H 1 53 ALA H 5.000 . 5.000 4.855 4.614 5.019 0.019 11 0 "[ . 1 . 2 . 3]" 1
260 1 50 ASN H 1 51 LEU H 4.000 . 4.000 2.630 2.451 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 51 LEU H 1 53 ALA H 5.000 . 5.000 3.970 3.619 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 52 THR H 1 53 ALA H 4.000 . 4.000 2.596 2.479 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 53 ALA H 1 54 GLN H 4.000 . 4.000 2.476 2.103 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 54 GLN H 1 55 ASP H 4.000 . 4.000 2.752 2.604 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 58 GLY H 1 59 ILE H 4.000 . 4.000 2.829 2.541 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 59 ILE H 1 60 VAL H 4.000 . 4.000 2.856 2.616 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 60 VAL H 1 61 GLU H 4.000 . 4.000 2.854 2.610 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 60 VAL H 1 63 GLY H 5.000 . 5.000 4.681 4.478 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 61 GLU H 1 62 GLU H 4.000 . 4.000 2.934 2.555 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 61 GLU H 1 63 GLY H 5.000 . 5.000 3.711 3.478 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 62 GLU H 1 63 GLY H 4.000 . 4.000 2.646 2.506 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 62 GLU H 1 65 LYS H 5.000 . 5.000 4.931 4.792 5.021 0.021 8 0 "[ . 1 . 2 . 3]" 1
273 1 63 GLY H 1 64 HIS H 4.000 . 4.000 2.944 2.796 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 63 GLY H 1 65 LYS H 5.000 . 5.000 3.557 3.386 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 64 HIS H 1 65 LYS H 4.000 . 4.000 2.624 2.508 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 65 LYS H 1 66 ILE H 4.000 . 4.000 2.692 2.550 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 66 ILE H 1 67 LYS H 4.000 . 4.000 2.780 2.514 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 67 LYS H 1 68 GLY H 4.000 . 4.000 2.749 2.456 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 68 GLY H 1 69 ALA H 4.000 . 4.000 2.727 2.432 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 68 GLY H 1 70 ALA H 5.000 . 5.000 4.223 3.881 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 67 LYS H 1 69 ALA H 5.000 . 5.000 4.423 3.994 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 69 ALA H 1 70 ALA H 4.000 . 4.000 2.751 2.522 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 36 PHE QE 1 70 ALA H 3.000 . 5.400 3.149 2.206 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 70 ALA H 1 71 GLY H 4.000 . 4.000 2.778 2.501 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 71 GLY H 1 72 SER H 4.000 . 4.000 2.722 2.575 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 70 ALA H 1 72 SER H 5.000 . 5.000 4.052 3.735 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 72 SER H 1 73 VAL H 4.000 . 4.000 2.539 2.477 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 72 SER H 1 74 GLY H 5.000 . 5.000 3.973 3.772 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 71 GLY H 1 73 VAL H 5.000 . 5.000 4.290 4.154 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 73 VAL H 1 74 GLY H 3.000 . 3.000 2.558 2.423 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 74 GLY H 1 75 LEU H 4.000 . 4.000 2.104 1.908 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 13 ASP H 1 74 GLY H 5.000 . 5.000 4.933 4.439 5.055 0.055 30 0 "[ . 1 . 2 . 3]" 1
293 1 73 VAL H 1 75 LEU H 5.000 . 5.000 3.195 3.035 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 75 LEU H 1 76 ARG H 5.000 . 5.000 3.833 3.733 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 76 ARG H 1 77 HIS H 5.000 . 5.000 2.669 2.503 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 13 ASP H 1 76 ARG H 5.000 . 5.000 3.113 2.809 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 76 ARG H 1 78 LEU H 5.000 . 5.000 4.508 4.109 5.007 0.007 16 0 "[ . 1 . 2 . 3]" 1
298 1 78 LEU H 1 79 GLN H 4.000 . 4.000 2.710 2.505 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 79 GLN H 1 80 GLN H 4.000 . 4.000 2.905 2.709 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 80 GLN H 1 81 LEU H 4.000 . 4.000 2.783 2.587 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 81 LEU H 1 82 GLY H 4.000 . 4.000 3.019 2.767 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 82 GLY H 1 83 GLN H 4.000 . 4.000 2.792 2.631 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 83 GLN H 1 84 GLN H 4.000 . 4.000 2.924 2.769 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 85 ILE H 1 86 GLN H 4.000 . 4.000 2.647 2.540 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 84 GLN H 1 86 GLN H 5.000 . 5.000 3.962 3.729 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 86 GLN H 1 87 SER H 4.000 . 4.000 2.698 2.482 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 87 SER H 1 89 ASP H 5.000 . 5.000 4.960 4.851 5.015 0.015 6 0 "[ . 1 . 2 . 3]" 1
308 1 89 ASP H 1 90 LEU H 3.000 . 3.000 1.811 1.740 2.560 0.060 1 0 "[ . 1 . 2 . 3]" 1
309 1 90 LEU H 1 94 GLU H 5.000 . 5.000 4.788 4.655 5.020 0.020 22 0 "[ . 1 . 2 . 3]" 1
310 1 92 ALA H 1 93 TRP H 4.000 . 4.000 2.134 2.102 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 93 TRP H 1 94 GLU H 4.000 . 4.000 2.570 2.407 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 92 ALA H 1 94 GLU H 5.000 . 5.000 4.088 3.845 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 92 ALA H 1 95 ASP H 5.000 . 5.000 4.960 4.749 5.029 0.029 13 0 "[ . 1 . 2 . 3]" 1
314 1 94 GLU H 1 95 ASP H 4.000 . 4.000 2.628 2.461 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 96 ASN H 1 97 VAL H 4.000 . 4.000 2.037 1.913 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 96 ASN H 1 98 GLY H 5.000 . 5.000 4.385 4.002 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 94 GLU H 1 97 VAL H 5.000 . 5.000 4.834 4.586 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 97 VAL H 1 98 GLY H 4.000 . 4.000 2.962 2.748 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 98 GLY H 1 99 GLU H 4.000 . 4.000 3.033 2.742 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 99 GLU H 1 100 TRP H 4.000 . 4.000 2.618 2.438 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 100 TRP H 1 101 ILE H 4.000 . 4.000 2.839 2.624 3.081 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 101 ILE H 1 102 GLU H 4.000 . 4.000 2.658 2.474 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 99 GLU H 1 102 GLU H 5.000 . 5.000 4.953 4.682 5.027 0.027 26 0 "[ . 1 . 2 . 3]" 1
324 1 100 TRP H 1 102 GLU H 5.000 . 5.000 4.155 3.773 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 102 GLU H 1 103 GLU H 4.000 . 4.000 2.898 2.627 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 103 GLU H 1 104 MET H 4.000 . 4.000 2.791 2.617 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 104 MET H 1 105 LYS H 4.000 . 4.000 2.944 2.471 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 106 GLU H 1 107 GLU H 4.000 . 4.000 3.607 3.441 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 107 GLU H 1 108 TRP H 4.000 . 4.000 2.219 1.910 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 107 GLU H 1 110 HIS H 5.000 . 5.000 4.167 3.882 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 108 TRP H 1 109 ARG H 4.000 . 4.000 2.940 2.807 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 108 TRP H 1 110 HIS H 5.000 . 5.000 4.616 4.241 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 107 GLU H 1 109 ARG H 5.000 . 5.000 3.009 2.820 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 109 ARG H 1 110 HIS H 4.000 . 4.000 2.999 2.829 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 110 HIS H 1 111 ASP H 4.000 . 4.000 2.933 2.770 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 111 ASP H 1 112 VAL H 4.000 . 4.000 2.886 2.761 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 113 GLU H 1 114 VAL H 4.000 . 4.000 3.019 2.818 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 114 VAL H 1 116 LYS H 5.000 . 5.000 4.357 3.717 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 115 LEU H 1 116 LYS H 4.000 . 4.000 2.948 2.694 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 113 GLU H 1 116 LYS H 5.000 . 5.000 4.903 4.686 5.060 0.060 10 0 "[ . 1 . 2 . 3]" 1
341 1 116 LYS H 1 118 TRP H 5.000 . 5.000 4.103 3.763 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 116 LYS H 1 117 ALA H 4.000 . 4.000 2.864 2.601 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 117 ALA H 1 118 TRP H 4.000 . 4.000 2.736 2.532 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 118 TRP H 1 119 VAL H 4.000 . 4.000 2.832 2.521 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 119 VAL H 1 120 ALA H 4.000 . 4.000 2.680 2.462 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 117 ALA H 1 119 VAL H 5.000 . 5.000 4.503 4.224 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 118 TRP H 1 121 LYS H 5.000 . 5.000 4.825 4.456 5.011 0.011 28 0 "[ . 1 . 2 . 3]" 1
348 1 119 VAL H 1 121 LYS H 5.000 . 5.000 4.071 3.777 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 123 THR H 1 124 LYS H 5.000 . 5.000 3.268 1.901 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 12 LEU H 1 17 LEU MD1 6.000 . 7.000 5.292 4.886 5.688 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 13 ASP H 1 17 LEU MD1 5.000 . 6.000 3.115 2.397 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 14 ILE H 1 17 LEU MD1 5.000 . 6.000 4.533 4.285 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 16 MET H 1 17 LEU MD1 6.000 . 7.000 5.503 5.205 5.723 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 17 LEU MD1 1 18 GLU H 6.000 . 7.000 4.458 4.225 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 24 VAL H 1 28 LEU MD2 6.000 . 7.000 4.213 2.846 5.307 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 17 LEU MD1 1 74 GLY H 5.000 . 6.000 4.812 4.578 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 17 LEU MD1 1 76 ARG H 6.000 . 7.000 5.183 4.900 5.491 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 97 VAL MG1 1 99 GLU H 5.000 . 6.000 4.717 4.280 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 97 VAL MG1 1 100 TRP H 5.000 . 6.000 4.367 4.135 4.812 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 17 LEU MD1 1 115 LEU H 5.000 . 6.000 4.855 4.280 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 17 LEU MD1 1 119 VAL H 6.000 . 7.000 4.412 3.675 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 7 LYS QB 1 8 SER H 5.000 . 6.000 2.876 1.904 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 8 SER QB 1 9 GLU H 5.000 . 6.000 3.287 1.858 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 11 LEU H 1 12 LEU MD1 5.000 . 6.000 4.758 3.441 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 11 LEU H 1 14 ILE MD 5.000 . 6.000 4.835 4.594 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 12 LEU H 1 77 HIS QB 5.000 . 6.000 4.960 4.584 5.338 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 12 LEU H 1 76 ARG QD 5.000 . 6.000 3.636 2.316 5.247 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 12 LEU QB 1 13 ASP H 4.000 . 5.000 2.594 2.285 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 12 LEU MD1 1 13 ASP H 5.000 . 6.000 3.923 3.002 5.022 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 12 LEU MD2 1 13 ASP H 5.000 . 6.000 4.582 3.492 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 13 ASP H 1 14 ILE MD 6.000 . 7.000 4.212 3.950 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 14 ILE H 1 14 ILE MD 5.000 . 6.000 2.206 1.839 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 15 PRO QB 1 16 MET H 5.000 . 6.000 2.935 2.837 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 16 MET H 1 17 LEU QB 6.000 . 7.000 4.401 4.151 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 17 LEU H 1 17 LEU MD1 5.000 . 6.000 3.616 3.298 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 16 MET QB 1 17 LEU H 4.000 . 5.000 2.433 2.140 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 18 GLU H 1 18 GLU QG 4.000 . 5.000 3.728 1.894 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 17 LEU QB 1 18 GLU H 4.000 . 5.000 2.455 2.246 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 17 LEU HG 1 18 GLU H 5.000 . 5.000 4.613 4.419 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 17 LEU MD2 1 18 GLU H 6.000 . 7.000 4.450 4.202 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 19 GLN H 1 20 TYR QB 5.000 . 6.000 4.466 4.260 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 18 GLU QB 1 19 GLN H 4.000 . 5.000 2.437 2.067 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 18 GLU QG 1 19 GLN H 5.000 . 6.000 3.775 2.037 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 19 GLN QB 1 20 TYR H 4.000 . 5.000 2.218 1.968 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 19 GLN QG 1 20 TYR H 5.000 . 6.000 3.835 2.667 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 17 LEU QB 1 20 TYR H 5.000 . 6.000 5.123 4.871 5.365 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 20 TYR QB 1 21 LEU H 4.000 . 5.000 2.586 2.383 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 21 LEU QB 1 22 GLU H 4.000 . 5.000 2.728 2.415 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 22 GLU QB 1 23 LEU H 4.000 . 5.000 2.974 1.959 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 24 VAL H 1 24 VAL HB 4.000 . 4.000 2.932 2.353 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 23 LEU QB 1 24 VAL H 4.000 . 5.000 2.380 1.864 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 24 VAL H 1 26 PRO QD 6.000 . 7.000 6.119 5.932 6.311 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 20 TYR QB 1 24 VAL H 5.000 . 6.000 4.518 4.105 4.920 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 24 VAL H 1 25 GLY QA 5.000 . 6.000 4.055 3.840 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 24 VAL HB 1 25 GLY H 5.000 . 5.000 2.979 1.914 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 25 GLY H 1 26 PRO QD 5.000 . 6.000 4.356 4.279 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 21 LEU HA 1 25 GLY H 4.000 . 4.000 2.634 2.112 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 20 TYR QB 1 25 GLY H 5.000 . 6.000 4.295 3.038 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 25 GLY H 1 28 LEU MD2 6.000 . 7.000 4.523 2.784 5.559 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 27 LYS H 1 27 LYS QE 5.000 . 6.000 4.358 2.081 5.261 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 26 PRO QD 1 27 LYS H 5.000 . 6.000 2.731 2.494 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 28 LEU H 1 28 LEU MD2 5.000 . 6.000 3.643 2.470 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 29 ILE H 1 29 ILE HB 4.000 . 4.000 2.356 2.136 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 25 GLY QA 1 29 ILE H 5.000 . 6.000 5.290 5.057 5.421 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 28 LEU QB 1 29 ILE H 4.000 . 5.000 2.947 1.970 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 28 LEU MD2 1 29 ILE H 5.000 . 6.000 4.081 3.600 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 29 ILE H 1 30 THR HB 5.000 . 5.000 4.768 4.417 5.014 0.014 18 0 "[ . 1 . 2 . 3]" 1
408 1 29 ILE H 1 119 VAL MG2 6.000 . 7.000 5.532 5.085 5.712 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 29 ILE HB 1 30 THR H 4.000 . 4.000 2.420 2.171 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 29 ILE MG 1 30 THR H 5.000 . 6.000 3.244 2.719 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 30 THR H 1 31 ASP QB 5.000 . 6.000 4.303 4.069 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 30 THR HB 1 31 ASP H 4.000 . 4.000 2.511 1.992 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 30 THR MG 1 31 ASP H 5.000 . 6.000 3.147 1.772 3.701 0.028 16 0 "[ . 1 . 2 . 3]" 1
414 1 31 ASP QB 1 32 GLY H 4.000 . 5.000 2.172 1.865 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 31 ASP QB 1 33 LEU H 5.000 . 6.000 4.458 4.141 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 33 LEU H 1 36 PHE QB 5.000 . 6.000 4.570 4.209 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 33 LEU H 1 73 VAL MG1 5.000 . 6.000 3.050 2.305 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 33 LEU H 1 73 VAL MG2 6.000 . 7.000 3.937 2.907 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 31 ASP QB 1 34 ALA H 5.000 . 6.000 4.865 4.611 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 34 ALA H 1 36 PHE QB 5.000 . 6.000 4.700 4.331 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 34 ALA H 1 73 VAL MG1 5.000 . 6.000 4.809 4.476 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 34 ALA MB 1 35 VAL H 4.000 . 5.000 2.232 1.928 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 35 VAL H 1 36 PHE QB 6.000 . 7.000 4.388 4.078 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 35 VAL H 1 38 LYS QB 6.000 . 7.000 5.075 4.444 5.995 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 36 PHE H 1 73 VAL MG1 6.000 . 7.000 5.555 5.070 5.705 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 36 PHE H 1 73 VAL MG2 6.000 . 7.000 5.036 4.620 5.353 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 35 VAL HB 1 36 PHE H 4.000 . 4.000 3.011 2.122 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 35 VAL MG1 1 36 PHE H 5.000 . 6.000 3.072 1.795 3.923 0.005 15 0 "[ . 1 . 2 . 3]" 1
429 1 35 VAL MG2 1 36 PHE H 5.000 . 6.000 3.421 1.891 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 36 PHE H 1 37 GLU QG 5.000 . 6.000 4.662 3.698 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 37 GLU H 1 37 GLU QG 4.000 . 5.000 2.769 2.145 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 36 PHE QB 1 37 GLU H 5.000 . 6.000 2.591 2.109 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 38 LYS H 1 38 LYS QE 5.000 . 6.000 4.706 3.478 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 37 GLU QG 1 38 LYS H 5.000 . 6.000 3.593 1.882 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 38 LYS QB 1 39 MET H 5.000 . 6.000 2.625 2.145 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 39 MET H 1 41 PRO QD 6.000 . 7.000 3.659 3.248 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 35 VAL MG1 1 39 MET H 6.000 . 7.000 4.735 4.025 5.832 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 39 MET QB 1 40 MET H 5.000 . 6.000 3.327 2.958 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 40 MET H 1 41 PRO QD 4.000 . 5.000 2.027 1.845 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 41 PRO QB 1 42 GLY H 4.000 . 5.000 3.241 2.935 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 41 PRO QG 1 42 GLY H 5.000 . 6.000 2.463 2.121 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 41 PRO QD 1 42 GLY H 4.000 . 5.000 2.563 2.433 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 42 GLY H 1 44 VAL MG2 5.000 . 6.000 4.213 3.739 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 39 MET QB 1 42 GLY H 5.000 . 6.000 4.609 4.183 5.082 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 43 TYR H 1 43 TYR QD 4.000 . 6.400 3.532 2.872 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 44 VAL H 1 44 VAL MG2 4.000 . 5.000 1.879 1.812 1.982 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 43 TYR QB 1 44 VAL H 4.000 . 5.000 2.341 2.047 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 43 TYR QD 1 44 VAL H 5.000 . 7.400 4.350 4.153 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 44 VAL HB 1 45 SER H 4.000 . 4.000 3.235 2.207 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 44 VAL MG1 1 45 SER H 5.000 . 6.000 3.799 3.338 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 44 VAL MG2 1 45 SER H 5.000 . 6.000 2.535 1.807 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 41 PRO QB 1 45 SER H 5.000 . 6.000 4.851 4.598 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 43 TYR QB 1 45 SER H 5.000 . 6.000 4.391 4.134 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 46 VAL H 1 46 VAL HB 3.000 . 3.000 2.342 2.088 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 45 SER QB 1 46 VAL H 4.000 . 5.000 2.349 2.000 3.136 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 46 VAL HB 1 47 LEU H 4.000 . 4.000 2.852 2.401 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 47 LEU QB 1 48 GLU H 4.000 . 5.000 2.331 2.091 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 47 LEU HG 1 48 GLU H 5.000 . 5.000 4.267 3.098 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 48 GLU QB 1 49 SER H 4.000 . 5.000 2.410 2.107 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 49 SER QB 1 50 ASN H 4.000 . 5.000 2.571 2.139 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 50 ASN QB 1 51 LEU H 5.000 . 6.000 2.605 2.241 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 53 ALA MB 1 54 GLN H 5.000 . 6.000 3.330 3.195 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 50 ASN QB 1 55 ASP H 6.000 . 7.000 3.617 3.295 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 55 ASP QB 1 56 LYS H 5.000 . 6.000 3.946 3.841 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 56 LYS H 1 59 ILE MD 5.000 . 6.000 3.769 2.901 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 57 LYS QB 1 58 GLY H 4.000 . 5.000 2.362 1.843 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 57 LYS QD 1 58 GLY H 5.000 . 6.000 4.126 2.540 5.102 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 59 ILE H 1 59 ILE HB 4.000 . 4.000 2.336 2.195 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 55 ASP QB 1 59 ILE H 5.000 . 6.000 3.160 2.665 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 50 ASN QB 1 59 ILE H 5.000 . 6.000 3.730 3.192 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 60 VAL H 1 86 GLN HA 6.000 . 6.000 5.373 4.585 5.896 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 60 VAL MG1 1 61 GLU H 5.000 . 6.000 2.893 2.342 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 60 VAL MG2 1 61 GLU H 5.000 . 6.000 3.957 3.750 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 62 GLU H 1 62 GLU QG 4.000 . 5.000 2.210 1.828 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 62 GLU QB 1 63 GLY H 5.000 . 6.000 3.111 2.801 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 62 GLU QG 1 63 GLY H 5.000 . 6.000 3.992 2.268 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 64 HIS H 1 64 HIS HD2 5.000 . 5.000 2.022 1.816 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 64 HIS H 1 86 GLN QB 5.000 . 6.000 4.164 3.288 5.335 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 64 HIS QB 1 65 LYS H 5.000 . 6.000 3.599 3.395 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 67 LYS QB 1 68 GLY H 5.000 . 6.000 2.701 2.321 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 69 ALA MB 1 70 ALA H 4.000 . 5.000 2.417 2.066 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 70 ALA H 1 79 GLN QB 6.000 . 7.000 5.863 4.622 6.100 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 70 ALA H 1 79 GLN QG 6.000 . 7.000 5.662 4.822 6.247 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 70 ALA MB 1 71 GLY H 5.000 . 6.000 2.508 2.237 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 71 GLY H 1 73 VAL MG2 5.000 . 6.000 4.670 4.416 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 71 GLY H 1 75 LEU MD1 5.000 . 6.000 4.568 4.286 4.812 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 71 GLY H 1 79 GLN QB 5.000 . 6.000 3.450 2.681 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 71 GLY H 1 79 GLN QG 5.000 . 6.000 3.654 2.684 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 72 SER H 1 73 VAL MG2 5.000 . 6.000 3.511 3.338 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 73 VAL H 1 73 VAL MG2 4.000 . 5.000 1.948 1.842 2.162 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 72 SER QB 1 73 VAL H 5.000 . 6.000 2.960 2.620 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 73 VAL H 1 75 LEU QB 5.000 . 6.000 3.903 3.520 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 73 VAL H 1 75 LEU MD1 5.000 . 6.000 4.679 4.140 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 73 VAL HB 1 74 GLY H 5.000 . 5.000 3.557 3.323 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 73 VAL MG2 1 74 GLY H 5.000 . 6.000 3.901 3.727 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 74 GLY H 1 76 ARG QB 6.000 . 7.000 5.886 5.682 6.360 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 17 LEU HG 1 74 GLY H 5.000 . 5.000 4.513 4.126 5.002 0.002 20 0 "[ . 1 . 2 . 3]" 1
498 1 13 ASP QB 1 74 GLY H 5.000 . 6.000 4.509 3.862 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 73 VAL HB 1 75 LEU H 5.000 . 5.000 3.345 3.154 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 73 VAL MG2 1 75 LEU H 5.000 . 6.000 4.187 4.069 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 12 LEU HA 1 75 LEU H 5.000 . 5.000 4.842 4.683 5.025 0.025 2 0 "[ . 1 . 2 . 3]" 1
502 1 13 ASP QB 1 75 LEU H 5.000 . 6.000 4.974 4.415 5.302 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 13 ASP QB 1 76 ARG H 5.000 . 6.000 3.813 3.310 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 76 ARG H 1 79 GLN QB 6.000 . 7.000 4.759 4.372 6.086 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 76 ARG QB 1 77 HIS H 5.000 . 6.000 3.305 2.216 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 77 HIS QB 1 78 LEU H 5.000 . 6.000 2.449 2.109 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 75 LEU MD1 1 78 LEU H 6.000 . 7.000 4.570 4.239 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 78 LEU H 1 111 ASP QB 6.000 . 7.000 4.426 4.031 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 11 LEU HA 1 78 LEU H 6.000 . 6.000 5.542 5.052 5.883 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 78 LEU QB 1 79 GLN H 5.000 . 6.000 2.465 2.195 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 79 GLN QB 1 80 GLN H 4.000 . 5.000 2.474 2.067 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 81 LEU H 1 81 LEU HG 4.000 . 4.000 3.658 1.876 4.029 0.029 22 0 "[ . 1 . 2 . 3]" 1
513 1 81 LEU QB 1 82 GLY H 4.000 . 5.000 2.441 2.132 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 81 LEU HG 1 82 GLY H 5.000 . 5.000 4.743 4.067 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 81 LEU MD1 1 82 GLY H 6.000 . 7.000 4.190 3.849 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 85 ILE H 1 85 ILE HB 4.000 . 4.000 2.238 2.064 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 84 GLN QB 1 85 ILE H 4.000 . 5.000 2.768 2.551 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 85 ILE MD 1 86 GLN H 6.000 . 7.000 4.818 4.568 5.042 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 85 ILE MG 1 86 GLN H 5.000 . 6.000 3.334 1.899 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 60 VAL MG2 1 86 GLN H 5.000 . 6.000 4.372 4.112 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 86 GLN QB 1 87 SER H 5.000 . 6.000 3.634 3.319 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 86 GLN QG 1 87 SER H 5.000 . 6.000 4.074 2.921 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 87 SER H 1 88 PRO HA 5.000 . 5.000 4.434 4.165 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 87 SER H 1 90 LEU MD1 5.000 . 6.000 3.827 3.684 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 60 VAL MG2 1 87 SER H 5.000 . 6.000 3.954 3.596 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 88 PRO QB 1 89 ASP H 5.000 . 6.000 3.991 3.763 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 88 PRO QG 1 89 ASP H 5.000 . 6.000 4.279 3.367 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 88 PRO QD 1 89 ASP H 4.000 . 5.000 3.908 3.023 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 89 ASP QB 1 90 LEU H 5.000 . 6.000 3.165 2.902 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 88 PRO HA 1 90 LEU H 5.000 . 5.000 3.848 3.466 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 88 PRO QB 1 90 LEU H 6.000 . 7.000 5.267 4.735 5.415 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 87 SER QB 1 90 LEU H 5.000 . 6.000 3.895 3.592 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 90 LEU H 1 93 TRP QB 5.000 . 6.000 2.881 2.796 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 91 PRO QB 1 92 ALA H 5.000 . 6.000 3.485 3.421 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 90 LEU QB 1 92 ALA H 5.000 . 6.000 2.656 2.559 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 92 ALA H 1 93 TRP HA 5.000 . 5.000 4.831 4.808 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 92 ALA H 1 93 TRP QB 5.000 . 6.000 3.810 3.761 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 93 TRP H 1 93 TRP QB 3.000 . 3.600 2.165 2.116 2.179 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 92 ALA MB 1 93 TRP H 5.000 . 6.000 2.926 2.814 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 90 LEU QB 1 93 TRP H 4.000 . 5.000 2.024 1.926 2.097 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 90 LEU MD1 1 93 TRP H 6.000 . 7.000 3.455 3.345 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 88 PRO HA 1 93 TRP H 6.000 . 6.000 5.997 5.694 6.053 0.053 1 0 "[ . 1 . 2 . 3]" 1
543 1 94 GLU H 1 94 GLU QG 4.000 . 5.000 3.219 1.858 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 93 TRP QB 1 94 GLU H 4.000 . 5.000 2.452 2.123 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 88 PRO HA 1 94 GLU H 5.000 . 5.000 5.003 4.816 5.041 0.041 5 0 "[ . 1 . 2 . 3]" 1
546 1 93 TRP QB 1 95 ASP H 5.000 . 6.000 4.356 4.214 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 96 ASN H 1 97 VAL MG1 5.000 . 6.000 5.090 4.960 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 97 VAL H 1 97 VAL MG1 4.000 . 5.000 3.516 3.082 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 97 VAL MG1 1 98 GLY H 4.000 . 5.000 2.535 1.873 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 99 GLU H 1 99 GLU QG 4.000 . 5.000 3.402 2.036 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 99 GLU QB 1 100 TRP H 4.000 . 5.000 2.794 2.135 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 101 ILE MG 1 102 GLU H 5.000 . 6.000 3.412 3.038 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 81 LEU MD1 1 104 MET H 6.000 . 7.000 5.285 3.971 5.761 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 104 MET QB 1 105 LYS H 4.000 . 5.000 2.323 1.932 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 105 LYS QG 1 106 GLU H 5.000 . 6.000 3.850 3.060 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 105 LYS QE 1 106 GLU H 5.000 . 6.000 4.649 3.047 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 106 GLU QB 1 107 GLU H 4.000 . 5.000 3.955 3.900 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 107 GLU QB 1 108 TRP H 5.000 . 6.000 2.388 2.160 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 109 ARG QB 1 110 HIS H 4.000 . 5.000 2.275 1.933 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 109 ARG QG 1 110 HIS H 5.000 . 6.000 3.688 1.828 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 109 ARG QD 1 110 HIS H 5.000 . 6.000 4.457 3.851 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 11 LEU MD1 1 111 ASP H 5.000 . 6.000 4.566 3.781 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 111 ASP QB 1 112 VAL H 4.000 . 5.000 2.417 2.050 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 75 LEU MD1 1 112 VAL H 5.000 . 6.000 3.696 3.008 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 112 VAL MG1 1 113 GLU H 5.000 . 6.000 2.779 1.808 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 12 LEU MD1 1 115 LEU H 5.000 . 6.000 3.610 2.078 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 12 LEU MD2 1 115 LEU H 5.000 . 6.000 2.672 1.905 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 115 LEU QB 1 116 LYS H 5.000 . 6.000 2.683 2.250 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 115 LEU MD1 1 116 LYS H 5.000 . 6.000 3.524 2.578 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 115 LEU MD2 1 116 LYS H 5.000 . 6.000 3.730 3.453 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 12 LEU MD1 1 116 LYS H 6.000 . 7.000 5.342 4.555 5.641 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 33 LEU MD1 1 116 LYS H 6.000 . 7.000 5.160 4.597 5.708 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 117 ALA MB 1 118 TRP H 4.000 . 5.000 2.610 2.309 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 12 LEU MD1 1 118 TRP H 6.000 . 7.000 4.654 4.175 5.494 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 119 VAL H 1 119 VAL HB 4.000 . 4.000 2.299 2.164 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 119 VAL HB 1 120 ALA H 4.000 . 4.000 2.649 2.298 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 119 VAL MG1 1 120 ALA H 5.000 . 6.000 3.344 2.867 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 119 VAL MG2 1 120 ALA H 5.000 . 6.000 3.928 3.737 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 121 LYS H 1 121 LYS QE 5.000 . 6.000 4.745 3.893 5.343 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 122 ALA MB 1 123 THR H 5.000 . 6.000 2.509 1.808 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 123 THR MG 1 124 LYS H 5.000 . 6.000 3.416 1.910 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 10 ALA H 1 12 LEU H 5.000 . 5.000 4.170 3.751 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 11 LEU H 1 77 HIS QB 5.000 . 6.000 4.863 4.474 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 12 LEU H 1 14 ILE MD 6.000 . 7.000 3.773 3.419 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 13 ASP H 1 76 ARG QB 5.000 . 6.000 3.260 2.584 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 13 ASP QB 1 16 MET H 5.000 . 6.000 2.959 2.616 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 13 ASP QB 1 17 LEU H 6.000 . 7.000 2.629 2.284 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 20 TYR H 1 23 LEU MD1 6.000 . 7.000 3.489 2.596 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 20 TYR H 1 29 ILE MD 6.000 . 7.000 4.250 3.823 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 21 LEU H 1 119 VAL MG2 6.000 . 7.000 5.195 4.473 5.737 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 21 LEU H 1 29 ILE MD 5.000 . 6.000 3.224 2.517 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 20 TYR QB 1 22 GLU H 5.000 . 6.000 4.552 4.223 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 21 LEU H 1 25 GLY H 5.000 . 5.000 4.601 4.331 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 24 VAL MG2 1 27 LYS H 6.000 . 7.000 5.302 4.144 5.901 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 68 GLY QA 1 83 GLN H 6.000 . 7.000 5.639 4.904 6.220 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 79 GLN HA 1 83 GLN H 5.000 . 5.000 4.273 3.964 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 81 LEU HA 1 83 GLN H 5.000 . 5.000 4.770 4.520 5.005 0.005 25 0 "[ . 1 . 2 . 3]" 1
598 1 64 HIS HA 1 83 GLN H 6.000 . 6.000 4.335 3.158 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 13 ASP H 1 74 GLY QA 5.000 . 6.000 2.614 2.201 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 85 ILE H 1 86 GLN QB 5.000 . 6.000 4.430 4.078 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 84 GLN QB 1 86 GLN H 5.000 . 6.000 4.465 4.289 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 86 GLN H 1 87 SER QB 5.000 . 6.000 4.350 3.955 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 64 HIS QB 1 86 GLN H 6.000 . 7.000 4.661 3.933 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 89 ASP H 1 90 LEU QB 6.000 . 7.000 4.151 4.030 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 93 TRP H 1 94 GLU QB 5.000 . 6.000 4.263 4.035 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 91 PRO QB 1 93 TRP H 6.000 . 7.000 5.013 4.910 5.132 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 92 ALA MB 1 94 GLU H 5.000 . 6.000 4.772 4.562 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 9 GLU HA 1 14 ILE MD 5.000 . 6.000 2.260 1.846 3.077 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 9 GLU QB 1 14 ILE MD 5.000 . 7.000 3.534 2.376 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 9 GLU QG 1 14 ILE MD 5.000 . 7.000 2.907 1.813 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 12 LEU QB 1 14 ILE MD 5.000 . 7.000 3.384 2.405 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 12 LEU MD1 1 14 ILE MD 5.000 . 7.000 2.246 1.631 4.164 0.169 27 0 "[ . 1 . 2 . 3]" 1
613 1 14 ILE MD 1 17 LEU MD1 5.000 . 7.000 3.099 2.808 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 14 ILE MG 1 15 PRO HA 5.000 . 6.000 3.243 2.876 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 14 ILE MG 1 18 GLU QG 5.000 . 7.000 4.661 3.000 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 17 LEU HA 1 29 ILE MD 5.000 . 6.000 3.733 2.932 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 17 LEU MD2 1 29 ILE MD 5.000 . 7.000 3.076 2.274 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 21 LEU QB 1 29 ILE MD 5.000 . 7.000 3.901 3.156 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 21 LEU HG 1 29 ILE MD 5.000 . 6.000 3.350 1.860 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 23 LEU MD1 1 29 ILE MD 5.000 . 7.000 4.597 4.408 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 26 PRO HA 1 29 ILE MD 5.000 . 6.000 2.928 2.028 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 29 ILE MD 1 119 VAL MG1 5.000 . 7.000 3.474 2.067 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 29 ILE MD 1 119 VAL MG2 5.000 . 7.000 3.093 2.092 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 20 TYR QB 1 29 ILE MD 5.000 . 7.000 1.794 1.592 2.273 0.208 11 0 "[ . 1 . 2 . 3]" 1
625 1 17 LEU MD2 1 29 ILE MG 5.000 . 7.000 2.619 2.248 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 26 PRO HA 1 29 ILE MG 5.000 . 6.000 3.592 3.080 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 29 ILE MG 1 73 VAL HB 5.000 . 6.000 4.800 4.593 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 29 ILE MG 1 115 LEU MD1 5.000 . 7.000 2.668 1.932 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 29 ILE MG 1 119 VAL MG2 5.000 . 7.000 2.177 1.815 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 29 ILE MG 1 30 THR HA 5.000 . 6.000 3.521 3.057 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 51 LEU HA 1 59 ILE MD 5.000 . 6.000 2.112 1.788 2.658 0.012 28 0 "[ . 1 . 2 . 3]" 1
632 1 56 LYS HA 1 59 ILE MD 5.000 . 6.000 2.519 1.841 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 59 ILE MD 1 97 VAL MG1 5.000 . 7.000 4.354 3.678 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 62 GLU QB 1 66 ILE MD 5.000 . 7.000 2.488 1.736 4.123 0.064 20 0 "[ . 1 . 2 . 3]" 1
635 1 43 TYR QB 1 66 ILE MD 5.000 . 7.000 3.079 1.841 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 65 LYS QD 1 66 ILE MD 5.000 . 7.000 4.084 1.790 5.059 0.010 17 0 "[ . 1 . 2 . 3]" 1
637 1 85 ILE MD 1 100 TRP QB 5.000 . 7.000 3.584 2.306 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 51 LEU QB 1 101 ILE MG 5.000 . 7.000 4.612 3.906 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 51 LEU MD2 1 101 ILE MG 5.000 . 7.000 3.946 2.998 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 47 LEU QB 1 101 ILE MG 5.000 . 7.000 3.719 2.781 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 24 VAL MG1 1 28 LEU QB 5.000 . 7.000 2.799 1.862 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 24 VAL MG1 1 28 LEU HG 5.000 . 6.000 4.184 2.303 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 20 TYR HA 1 24 VAL MG2 5.000 . 6.000 3.793 2.554 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 20 TYR QB 1 24 VAL MG2 5.000 . 7.000 4.198 2.645 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 20 TYR QD 1 24 VAL MG2 5.000 . 8.400 3.790 1.889 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 24 VAL MG2 1 28 LEU MD2 5.000 . 7.000 2.127 1.775 2.614 0.025 22 0 "[ . 1 . 2 . 3]" 1
647 1 24 VAL MG2 1 28 LEU MD1 5.000 . 7.000 4.002 3.148 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 34 ALA MB 1 35 VAL MG2 5.000 . 7.000 3.392 2.597 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 32 GLY QA 1 35 VAL MG2 5.000 . 7.000 3.348 2.074 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 44 VAL MG1 1 47 LEU MD1 5.000 . 7.000 4.425 3.377 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 44 VAL MG1 1 105 LYS HA 5.000 . 6.000 3.573 2.897 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 44 VAL MG1 1 105 LYS QG 5.000 . 7.000 2.942 1.779 4.403 0.021 16 0 "[ . 1 . 2 . 3]" 1
653 1 41 PRO HA 1 44 VAL MG2 5.000 . 6.000 2.259 1.772 3.259 0.028 10 0 "[ . 1 . 2 . 3]" 1
654 1 44 VAL MG2 1 105 LYS HA 5.000 . 6.000 4.394 3.574 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 46 VAL MG1 1 62 GLU QB 5.000 . 7.000 4.259 3.632 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 46 VAL MG1 1 62 GLU QG 5.000 . 7.000 4.253 3.323 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 46 VAL MG1 1 49 SER QB 5.000 . 7.000 3.566 3.091 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 43 TYR HA 1 46 VAL MG2 5.000 . 6.000 3.581 2.710 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 46 VAL MG2 1 49 SER QB 5.000 . 7.000 3.924 2.775 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 60 VAL MG1 1 86 GLN QB 5.000 . 7.000 2.703 1.845 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 60 VAL MG2 1 86 GLN HA 5.000 . 6.000 2.236 1.815 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 60 VAL MG2 1 88 PRO QB 5.000 . 7.000 3.066 2.668 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 33 LEU HA 1 73 VAL MG1 5.000 . 6.000 2.605 2.033 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 36 PHE QB 1 73 VAL MG1 5.000 . 7.000 4.097 3.749 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 73 VAL MG1 1 75 LEU MD1 5.000 . 7.000 3.998 3.447 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 28 LEU MD1 1 73 VAL MG2 5.000 . 7.000 4.472 4.180 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 32 GLY QA 1 73 VAL MG2 5.000 . 7.000 3.761 2.972 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 36 PHE QB 1 73 VAL MG2 5.000 . 7.000 3.296 2.899 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 70 ALA HA 1 73 VAL MG2 5.000 . 6.000 2.302 1.961 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 70 ALA MB 1 73 VAL MG2 5.000 . 7.000 3.719 3.446 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 73 VAL MG2 1 75 LEU MD1 5.000 . 7.000 3.786 3.114 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 73 VAL MG2 1 115 LEU MD2 5.000 . 7.000 4.046 3.845 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 59 ILE MG 1 97 VAL MG1 5.000 . 7.000 4.203 3.556 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 37 GLU QG 1 112 VAL MG1 5.000 . 7.000 3.209 1.870 5.042 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 109 ARG HA 1 112 VAL MG1 5.000 . 6.000 3.890 1.848 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 112 VAL MG1 1 113 GLU HA 5.000 . 6.000 3.199 2.778 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 29 ILE HB 1 119 VAL MG1 5.000 . 6.000 3.511 2.820 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 29 ILE HB 1 119 VAL MG2 5.000 . 6.000 3.568 3.146 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 11 LEU MD1 1 114 VAL HB 5.000 . 6.000 4.401 3.648 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 11 LEU MD1 1 114 VAL MG2 5.000 . 7.000 3.516 2.253 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 11 LEU MD2 1 77 HIS HA 5.000 . 6.000 4.468 3.935 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 11 LEU MD2 1 77 HIS QB 5.000 . 7.000 2.407 1.860 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 10 ALA MB 1 11 LEU MD2 5.000 . 7.000 4.194 3.492 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 12 LEU MD1 1 17 LEU MD1 5.000 . 7.000 2.446 1.682 4.164 0.118 9 0 "[ . 1 . 2 . 3]" 1
685 1 12 LEU MD1 1 115 LEU HA 5.000 . 6.000 2.521 1.909 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 12 LEU MD1 1 115 LEU MD1 5.000 . 7.000 3.695 2.709 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 12 LEU MD1 1 118 TRP QB 5.000 . 7.000 3.060 2.515 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 12 LEU MD2 1 115 LEU QB 5.000 . 7.000 2.670 1.693 3.237 0.107 30 0 "[ . 1 . 2 . 3]" 1
689 1 12 LEU MD2 1 115 LEU MD1 5.000 . 7.000 4.015 2.430 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 12 LEU MD2 1 115 LEU MD2 5.000 . 7.000 4.081 1.660 4.688 0.140 10 0 "[ . 1 . 2 . 3]" 1
691 1 12 LEU MD2 1 75 LEU HA 5.000 . 6.000 4.255 2.165 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 14 ILE HA 1 17 LEU MD1 5.000 . 6.000 3.198 2.938 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 17 LEU MD1 1 115 LEU MD1 5.000 . 7.000 1.962 1.569 3.259 0.231 17 0 "[ . 1 . 2 . 3]" 1
694 1 17 LEU MD2 1 115 LEU MD1 5.000 . 7.000 1.850 1.605 2.233 0.195 28 0 "[ . 1 . 2 . 3]" 1
695 1 21 LEU MD2 1 29 ILE MD 5.000 . 7.000 2.894 1.769 4.786 0.031 5 0 "[ . 1 . 2 . 3]" 1
696 1 20 TYR HA 1 23 LEU MD1 5.000 . 6.000 1.930 1.709 2.394 0.091 18 0 "[ . 1 . 2 . 3]" 1
697 1 19 GLN QB 1 23 LEU MD1 5.000 . 7.000 3.357 2.036 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 22 GLU QG 1 23 LEU MD2 5.000 . 7.000 4.449 3.441 5.145 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 20 TYR QB 1 28 LEU MD2 5.000 . 7.000 3.948 2.817 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 24 VAL MG1 1 28 LEU MD2 5.000 . 7.000 2.560 1.794 3.617 0.006 20 0 "[ . 1 . 2 . 3]" 1
701 1 24 VAL HB 1 28 LEU MD2 5.000 . 6.000 2.597 1.790 3.529 0.010 13 0 "[ . 1 . 2 . 3]" 1
702 1 33 LEU MD1 1 112 VAL HA 5.000 . 6.000 3.487 2.792 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 33 LEU MD1 1 73 VAL MG2 5.000 . 7.000 2.961 2.280 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 33 LEU MD1 1 75 LEU MD1 5.000 . 7.000 2.988 2.468 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 33 LEU MD1 1 36 PHE QB 5.000 . 7.000 2.922 2.414 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 33 LEU MD2 1 112 VAL MG1 5.000 . 7.000 2.343 1.803 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 29 ILE MG 1 33 LEU MD2 5.000 . 7.000 3.274 2.592 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 47 LEU MD1 1 62 GLU QB 5.000 . 7.000 2.982 1.821 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 44 VAL MG1 1 47 LEU MD2 5.000 . 7.000 3.635 2.654 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 47 LEU MD2 1 62 GLU QB 5.000 . 7.000 4.031 1.950 5.220 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 51 LEU MD2 1 97 VAL MG1 5.000 . 7.000 2.748 2.148 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 70 ALA HA 1 75 LEU MD1 5.000 . 6.000 3.166 2.454 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 70 ALA MB 1 75 LEU MD1 5.000 . 7.000 1.944 1.795 2.316 0.005 6 0 "[ . 1 . 2 . 3]" 1
714 1 75 LEU MD1 1 112 VAL MG1 5.000 . 7.000 3.613 2.645 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 75 LEU MD1 1 78 LEU MD1 5.000 . 7.000 3.615 2.122 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 75 LEU MD1 1 115 LEU MD2 5.000 . 7.000 3.303 2.471 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 75 LEU MD2 1 111 ASP QB 5.000 . 7.000 1.966 1.628 3.271 0.172 15 0 "[ . 1 . 2 . 3]" 1
718 1 75 LEU MD2 1 115 LEU MD2 5.000 . 7.000 2.736 1.704 4.646 0.096 21 0 "[ . 1 . 2 . 3]" 1
719 1 78 LEU MD1 1 108 TRP HA 5.000 . 6.000 3.554 2.372 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 78 LEU MD2 1 108 TRP HA 5.000 . 6.000 2.326 1.775 4.636 0.025 1 0 "[ . 1 . 2 . 3]" 1
721 1 81 LEU MD1 1 103 GLU QG 5.000 . 7.000 4.649 4.172 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 81 LEU MD2 1 100 TRP HA 5.000 . 6.000 3.998 3.146 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 81 LEU MD2 1 100 TRP QB 5.000 . 7.000 4.524 3.962 5.042 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 81 LEU MD2 1 103 GLU QG 5.000 . 7.000 3.970 3.027 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 29 ILE MG 1 115 LEU MD2 5.000 . 7.000 3.419 2.262 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 17 LEU MD1 1 74 GLY QA 5.000 . 7.000 2.163 1.855 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 8 SER QB 1 14 ILE MD 5.000 . 7.000 4.245 2.683 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 84 GLN HA 1 90 LEU MD1 5.000 . 6.000 4.304 3.948 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 84 GLN QB 1 90 LEU MD1 5.000 . 7.000 4.287 3.789 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 84 GLN QG 1 90 LEU MD1 5.000 . 7.000 4.471 3.327 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 87 SER QB 1 90 LEU MD1 5.000 . 7.000 1.818 1.713 1.993 0.087 7 0 "[ . 1 . 2 . 3]" 1
732 1 87 SER HA 1 90 LEU MD1 5.000 . 6.000 3.814 3.662 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 90 LEU MD2 1 91 PRO QD 5.000 . 7.000 3.650 3.512 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 87 SER QB 1 90 LEU MD2 5.000 . 7.000 3.099 2.836 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 12 LEU HA 1 17 LEU MD1 5.000 . 6.000 4.164 3.588 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 12 LEU HA 1 75 LEU HA 5.000 . 5.000 3.086 2.646 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 26 PRO HA 1 29 ILE HB 5.000 . 5.000 2.351 1.862 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 29 ILE HA 1 73 VAL MG1 5.000 . 6.000 2.828 2.369 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 30 THR HA 1 33 LEU QB 5.000 . 6.000 2.665 2.208 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 30 THR HA 1 33 LEU MD2 5.000 . 6.000 3.204 2.391 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 41 PRO HA 1 44 VAL HB 5.000 . 5.000 4.010 2.637 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 43 TYR HA 1 46 VAL HB 5.000 . 5.000 3.344 2.879 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 44 VAL HA 1 47 LEU QB 5.000 . 6.000 2.190 1.855 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 53 ALA MB 1 55 ASP HA 5.000 . 6.000 4.411 4.160 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 60 VAL HA 1 86 GLN HA 5.000 . 5.000 3.198 2.465 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 88 PRO HA 1 93 TRP QB 5.000 . 6.000 3.556 3.369 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 97 VAL HA 1 100 TRP QB 5.000 . 6.000 1.962 1.823 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 109 ARG HA 1 112 VAL HB 5.000 . 5.000 2.963 2.650 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 75 LEU MD1 1 112 VAL HA 5.000 . 6.000 3.457 3.036 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 6 SER HA 1 9 GLU QB 5.000 . 6.000 3.186 1.874 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 8 SER HA 1 11 LEU MD1 5.000 . 6.000 3.228 2.043 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 11 LEU HA 1 77 HIS QB 5.000 . 6.000 2.127 1.841 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 14 ILE HA 1 17 LEU QB 5.000 . 6.000 2.918 2.689 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 17 LEU HA 1 20 TYR QB 5.000 . 6.000 2.774 2.378 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 18 GLU HA 1 21 LEU QB 5.000 . 6.000 2.597 2.115 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 18 GLU HA 1 21 LEU MD1 5.000 . 6.000 3.409 1.964 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 20 TYR HA 1 23 LEU QB 5.000 . 6.000 3.188 1.866 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 21 LEU HA 1 25 GLY QA 5.000 . 6.000 2.057 1.851 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 21 LEU HA 1 29 ILE MD 5.000 . 6.000 3.155 2.355 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 54 GLN HA 1 59 ILE MD 5.000 . 6.000 4.102 2.997 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 56 LYS HA 1 59 ILE HB 5.000 . 5.000 2.630 2.044 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 56 LYS HA 1 59 ILE MG 5.000 . 6.000 3.748 2.864 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 60 VAL MG1 1 86 GLN HA 5.000 . 6.000 2.043 1.795 2.568 0.005 15 0 "[ . 1 . 2 . 3]" 1
764 1 116 LYS HA 1 119 VAL MG1 5.000 . 6.000 4.435 4.098 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 28 LEU HA 1 31 ASP QB 5.000 . 6.000 2.827 2.304 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 34 ALA HA 1 37 GLU QB 5.000 . 6.000 2.963 2.220 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 45 SER HA 1 48 GLU QB 5.000 . 6.000 3.163 2.704 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 46 VAL HA 1 49 SER QB 5.000 . 6.000 2.491 1.933 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 48 GLU HA 1 51 LEU QB 5.000 . 6.000 2.422 1.972 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 57 LYS HA 1 60 VAL MG2 5.000 . 6.000 3.527 2.631 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 57 LYS HA 1 60 VAL MG1 5.000 . 6.000 3.965 3.404 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 63 GLY QA 1 85 ILE MG 5.000 . 7.000 2.322 1.789 3.209 0.011 7 0 "[ . 1 . 2 . 3]" 1
773 1 63 GLY QA 1 85 ILE MD 5.000 . 7.000 3.293 2.354 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 69 ALA HA 1 72 SER QB 5.000 . 6.000 3.049 2.356 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 13 ASP QB 1 74 GLY QA 5.000 . 7.000 2.674 2.095 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 76 ARG HA 1 79 GLN QB 5.000 . 6.000 2.561 2.103 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 110 HIS HA 1 113 GLU QB 5.000 . 6.000 2.484 1.963 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 12 LEU MD2 1 115 LEU HA 5.000 . 6.000 2.887 1.973 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 115 LEU HA 1 118 TRP QB 5.000 . 6.000 2.556 2.215 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 118 TRP HA 1 121 LYS QB 5.000 . 6.000 3.176 2.287 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 78 LEU HA 1 81 LEU QB 5.000 . 6.000 2.464 1.934 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 70 ALA MB 1 79 GLN HA 5.000 . 6.000 4.745 4.275 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 84 GLN HA 1 87 SER QB 5.000 . 6.000 3.439 2.790 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 111 ASP HA 1 114 VAL HB 5.000 . 5.000 3.291 2.855 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 116 LYS HA 1 119 VAL HB 5.000 . 5.000 3.196 2.892 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 7 LYS HA 1 10 ALA MB 5.000 . 6.000 3.601 2.164 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 12 LEU QB 1 17 LEU MD1 5.000 . 7.000 2.263 1.881 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 13 ASP QB 1 76 ARG QB 5.000 . 7.000 2.900 2.233 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 24 VAL HB 1 28 LEU HG 5.000 . 5.000 4.044 2.877 5.025 0.025 7 0 "[ . 1 . 2 . 3]" 1
790 1 24 VAL HB 1 28 LEU MD1 5.000 . 6.000 4.505 3.937 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 24 VAL HB 1 28 LEU QB 5.000 . 6.000 2.872 1.816 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 24 VAL MG2 1 28 LEU QB 5.000 . 7.000 2.902 1.809 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 27 LYS HA 1 30 THR HB 5.000 . 5.000 3.489 2.460 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 31 ASP HA 1 34 ALA MB 5.000 . 6.000 2.601 2.275 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 34 ALA MB 1 35 VAL HA 5.000 . 6.000 3.750 3.656 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 33 LEU HA 1 36 PHE QB 5.000 . 6.000 2.510 2.203 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 35 VAL HA 1 38 LYS QB 5.000 . 6.000 2.942 2.453 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 42 GLY QA 1 45 SER QB 5.000 . 7.000 2.462 2.189 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 45 SER QB 1 46 VAL MG2 5.000 . 7.000 3.411 2.817 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 47 LEU HG 1 101 ILE MG 5.000 . 6.000 4.430 3.352 4.841 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 48 GLU QB 1 101 ILE MG 5.000 . 7.000 4.089 2.891 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 50 ASN HA 1 53 ALA MB 5.000 . 6.000 2.393 2.009 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 53 ALA MB 1 55 ASP QB 5.000 . 7.000 2.886 2.424 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 53 ALA HA 1 54 GLN QG 5.000 . 6.000 4.571 3.131 5.403 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 50 ASN HA 1 55 ASP QB 5.000 . 6.000 2.706 2.361 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 66 ILE HA 1 69 ALA MB 5.000 . 6.000 2.888 2.437 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 70 ALA MB 1 79 GLN QB 5.000 . 7.000 4.533 4.222 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 70 ALA MB 1 78 LEU MD1 5.000 . 7.000 3.314 2.260 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 73 VAL HB 1 115 LEU MD2 5.000 . 6.000 2.960 2.664 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 73 VAL HB 1 115 LEU MD1 5.000 . 6.000 4.446 3.552 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 73 VAL HB 1 115 LEU QB 5.000 . 6.000 5.310 4.733 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 12 LEU MD1 1 76 ARG QG 5.000 . 7.000 4.926 4.462 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 13 ASP HA 1 76 ARG QD 5.000 . 6.000 3.762 1.848 5.363 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 13 ASP QB 1 76 ARG QD 5.000 . 7.000 4.331 2.494 5.364 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 10 ALA MB 1 76 ARG QD 5.000 . 7.000 4.175 3.427 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 10 ALA HA 1 76 ARG QD 5.000 . 6.000 3.214 2.053 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 78 LEU MD1 1 111 ASP QB 5.000 . 7.000 4.657 3.223 5.208 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 112 VAL HA 1 115 LEU QB 5.000 . 6.000 2.429 1.882 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 119 VAL HA 1 122 ALA MB 5.000 . 6.000 2.641 2.064 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 122 ALA MB 1 123 THR HA 5.000 . 6.000 3.926 3.768 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 19 GLN QG 1 23 LEU MD1 5.000 . 7.000 3.465 1.736 4.863 0.064 27 0 "[ . 1 . 2 . 3]" 1
822 1 16 MET HA 1 19 GLN QG 5.000 . 6.000 4.270 2.792 5.244 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 90 LEU QB 1 93 TRP QB 5.000 . 7.000 1.774 1.682 1.904 0.118 22 0 "[ . 1 . 2 . 3]" 1
824 1 83 GLN HA 1 86 GLN QG 5.000 . 6.000 3.975 2.261 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 87 SER HA 1 88 PRO QD 5.000 . 6.000 2.348 2.191 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 60 VAL MG1 1 88 PRO QD 5.000 . 7.000 3.295 3.006 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 25 GLY QA 1 26 PRO QD 5.000 . 7.000 1.958 1.859 2.025 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 90 LEU HA 1 91 PRO QD 5.000 . 6.000 1.969 1.926 2.003 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 90 LEU QB 1 91 PRO QD 5.000 . 7.000 2.565 2.454 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 87 SER QB 1 90 LEU HG 5.000 . 6.000 3.272 2.840 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 9 GLU QB 1 10 ALA HA 5.000 . 6.000 4.098 3.864 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 10 ALA HA 1 11 LEU HA 5.000 . 5.000 4.685 4.651 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 11 LEU MD2 1 111 ASP HA 5.000 . 6.000 3.367 2.512 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 12 LEU MD1 1 114 VAL MG1 5.000 . 7.000 2.441 1.624 3.345 0.176 11 0 "[ . 1 . 2 . 3]" 1
835 1 17 LEU MD1 1 114 VAL MG1 5.000 . 7.000 4.704 4.477 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 21 LEU MD1 1 122 ALA MB 5.000 . 7.000 3.645 2.558 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 21 LEU MD1 1 29 ILE MD 5.000 . 7.000 3.240 1.681 4.645 0.119 27 0 "[ . 1 . 2 . 3]" 1
838 1 21 LEU MD1 1 26 PRO QD 5.000 . 7.000 3.693 1.879 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 11 LEU MD1 1 114 VAL MG1 5.000 . 7.000 3.794 3.044 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 11 LEU MD1 1 111 ASP HA 5.000 . 6.000 3.487 2.563 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 21 LEU MD2 1 26 PRO QD 5.000 . 7.000 2.756 1.711 4.254 0.089 3 0 "[ . 1 . 2 . 3]" 1
842 1 21 LEU MD2 1 122 ALA MB 5.000 . 7.000 4.016 2.248 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 75 LEU MD2 1 112 VAL MG1 5.000 . 7.000 4.015 3.278 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 25 GLY QA 1 119 VAL MG1 5.000 . 7.000 4.695 3.365 5.175 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 33 LEU MD1 1 73 VAL HB 5.000 . 6.000 3.052 2.238 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 33 LEU MD1 1 115 LEU HG 5.000 . 6.000 4.082 3.102 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 33 LEU MD2 1 115 LEU HG 5.000 . 6.000 2.858 2.346 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 33 LEU MD2 1 116 LYS HA 5.000 . 6.000 3.515 2.980 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 33 LEU MD2 1 116 LYS QB 5.000 . 7.000 3.006 2.134 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 33 LEU MD2 1 116 LYS QD 5.000 . 7.000 3.517 1.712 5.118 0.088 20 0 "[ . 1 . 2 . 3]" 1
851 1 33 LEU MD2 1 116 LYS QE 5.000 . 7.000 3.621 2.206 4.820 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 33 LEU MD2 1 73 VAL MG2 5.000 . 7.000 4.593 4.178 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 60 VAL MG2 1 88 PRO QD 5.000 . 7.000 2.155 1.901 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 44 VAL MG1 1 67 LYS QD 5.000 . 7.000 4.656 3.812 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 21 LEU MD2 1 29 ILE MG 5.000 . 7.000 4.016 3.057 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 29 ILE MG 1 119 VAL MG1 5.000 . 7.000 3.102 2.243 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 29 ILE MD 1 115 LEU MD1 5.000 . 7.000 4.476 3.979 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 26 PRO HA 1 119 VAL MG1 5.000 . 6.000 2.733 2.376 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 44 VAL MG1 1 105 LYS QE 5.000 . 7.000 4.380 2.785 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 23 LEU QB 1 24 VAL MG1 5.000 . 7.000 4.050 2.665 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 47 LEU HA 1 59 ILE HA 5.000 . 5.000 4.066 3.360 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 12 LEU MD2 1 14 ILE MD 5.000 . 7.000 3.835 3.318 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 59 ILE MG 1 97 VAL MG2 5.000 . 7.000 4.233 3.622 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 51 LEU MD2 1 59 ILE MG 5.000 . 7.000 3.542 2.135 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 47 LEU MD1 1 59 ILE MG 5.000 . 7.000 2.547 1.806 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 17 LEU QB 1 122 ALA MB 5.000 . 7.000 4.645 3.849 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 21 LEU MD2 1 26 PRO QB 5.000 . 7.000 3.044 1.875 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 21 LEU MD2 1 26 PRO QG 5.000 . 7.000 3.728 2.529 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 21 LEU HA 1 26 PRO QD 5.000 . 6.000 3.901 3.485 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 15 PRO HA 1 18 GLU QB 5.000 . 6.000 2.806 2.377 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 15 PRO HA 1 18 GLU QG 5.000 . 6.000 4.273 1.902 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 102 GLU HA 1 105 LYS QB 5.000 . 6.000 3.095 2.392 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 102 GLU HA 1 105 LYS QE 5.000 . 6.000 4.126 2.223 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 113 GLU QB 1 114 VAL MG2 5.000 . 7.000 3.083 2.671 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 81 LEU MD1 1 104 MET HA 5.000 . 6.000 4.236 2.601 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 61 GLU HA 1 64 HIS QB 5.000 . 6.000 4.820 3.713 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 58 GLY QA 1 61 GLU QB 5.000 . 7.000 2.782 2.236 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 93 TRP HA 1 96 ASN QB 5.000 . 6.000 3.075 1.853 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 96 ASN HA 1 99 GLU QB 5.000 . 6.000 3.383 2.787 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 91 PRO HA 1 92 ALA MB 5.000 . 6.000 4.866 4.843 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 91 PRO QB 1 92 ALA MB 5.000 . 7.000 4.062 3.962 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 60 VAL MG2 1 87 SER HA 5.000 . 6.000 4.720 4.314 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 85 ILE HA 1 97 VAL MG2 5.000 . 6.000 3.967 3.697 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 82 GLY QA 1 85 ILE MD 5.000 . 7.000 2.701 1.853 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 85 ILE MD 1 101 ILE HA 5.000 . 6.000 4.608 4.057 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 63 GLY QA 1 85 ILE HB 5.000 . 6.000 3.392 2.811 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 83 GLN HA 1 86 GLN QB 5.000 . 6.000 3.524 2.509 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 47 LEU QB 1 62 GLU QB 5.000 . 7.000 4.401 3.025 5.629 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 75 LEU MD1 1 112 VAL MG2 5.000 . 7.000 1.806 1.604 3.030 0.196 5 0 "[ . 1 . 2 . 3]" 1
890 1 14 ILE MD 1 114 VAL MG1 5.000 . 7.000 4.347 3.777 4.716 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 82 GLY QA 1 85 ILE HB 5.000 . 6.000 2.128 1.854 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 82 GLY QA 1 85 ILE MG 5.000 . 7.000 3.139 1.813 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 118 TRP HD1 1 122 ALA MB 5.000 . 6.000 4.715 4.490 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 12 LEU MD1 1 118 TRP HD1 4.000 . 5.000 3.217 2.484 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 14 ILE MD 1 118 TRP HD1 3.000 . 4.000 3.147 2.730 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 77 HIS HE1 1 81 LEU MD1 4.000 . 5.000 3.342 1.938 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 11 LEU MD2 1 77 HIS HE1 5.000 . 6.000 4.660 3.995 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 11 LEU MD2 1 77 HIS HD2 5.000 . 6.000 3.716 2.660 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 110 HIS HE1 1 114 VAL MG2 5.000 . 6.000 1.809 1.708 3.362 0.092 15 0 "[ . 1 . 2 . 3]" 1
900 1 20 TYR QE 1 24 VAL MG2 5.000 . 8.400 4.920 3.584 5.872 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 20 TYR QE 1 28 LEU MD2 5.000 . 7.400 3.595 2.033 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 20 TYR QD 1 28 LEU MD1 5.000 . 8.400 4.081 2.113 5.910 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 20 TYR QD 1 28 LEU MD2 5.000 . 8.400 3.162 2.055 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 20 TYR QD 1 29 ILE MD 5.000 . 8.400 3.104 1.811 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 43 TYR QD 1 66 ILE MG 3.000 . 6.400 2.935 2.337 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 43 TYR QD 1 66 ILE MD 5.000 . 8.400 2.635 1.941 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 43 TYR QE 1 69 ALA MB 5.000 . 8.400 4.886 4.010 5.728 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 33 LEU MD1 1 36 PHE QD 5.000 . 8.400 3.423 2.223 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 11 LEU MD1 1 110 HIS HE1 5.000 . 6.000 2.921 2.550 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 11 LEU MD1 1 110 HIS HD2 3.000 . 4.000 2.725 2.062 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 36 PHE QD 1 73 VAL MG2 4.000 . 7.400 3.638 2.130 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 77 HIS HE1 1 78 LEU MD1 5.000 . 6.000 4.452 3.836 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 77 HIS HE1 1 78 LEU MD2 4.000 . 5.000 3.349 2.450 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 77 HIS HD2 1 78 LEU MD2 5.000 . 6.000 4.547 2.260 4.981 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 77 HIS HD2 1 81 LEU MD2 5.000 . 6.000 4.378 3.658 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 81 LEU MD2 1 100 TRP HD1 3.000 . 4.000 2.539 1.864 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 90 LEU MD1 1 93 TRP HD1 3.000 . 4.000 2.567 2.355 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 114 VAL MG1 1 118 TRP HD1 5.000 . 6.000 4.020 3.050 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 33 LEU H 1 36 PHE QD 6.000 . 8.400 6.176 4.735 6.868 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 43 TYR QD 1 70 ALA H 6.000 . 8.400 7.128 6.937 7.673 . 0 0 "[ . 1 . 2 . 3]" 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 116
_Distance_constraint_stats_list.Viol_count 118
_Distance_constraint_stats_list.Viol_total 139.781
_Distance_constraint_stats_list.Viol_max 0.130
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0395
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 GLU 0.008 0.008 20 0 "[ . 1 . 2 . 3]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 39 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 PRO 0.037 0.022 4 0 "[ . 1 . 2 . 3]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 HIS 0.151 0.028 6 0 "[ . 1 . 2 . 3]"
1 65 LYS 0.006 0.006 4 0 "[ . 1 . 2 . 3]"
1 66 ILE 0.145 0.028 6 0 "[ . 1 . 2 . 3]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 77 HIS 0.088 0.088 24 0 "[ . 1 . 2 . 3]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 81 LEU 0.088 0.088 24 0 "[ . 1 . 2 . 3]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 85 ILE 0.013 0.013 13 0 "[ . 1 . 2 . 3]"
1 86 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 87 SER 0.971 0.057 25 0 "[ . 1 . 2 . 3]"
1 88 PRO 0.428 0.063 28 0 "[ . 1 . 2 . 3]"
1 90 LEU 0.603 0.050 7 0 "[ . 1 . 2 . 3]"
1 93 TRP 0.975 0.063 28 0 "[ . 1 . 2 . 3]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 96 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 100 TRP 0.166 0.035 22 0 "[ . 1 . 2 . 3]"
1 104 MET 0.020 0.016 24 0 "[ . 1 . 2 . 3]"
1 105 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 107 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 108 TRP 2.834 0.130 5 0 "[ . 1 . 2 . 3]"
1 109 ARG 2.776 0.130 5 0 "[ . 1 . 2 . 3]"
1 110 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 111 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 112 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 114 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 118 TRP 0.008 0.008 20 0 "[ . 1 . 2 . 3]"
1 119 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 84 GLN QB 1 100 TRP HE3 5.000 . 6.000 5.027 4.762 5.290 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 17 LEU MD1 1 118 TRP HD1 5.000 . 6.000 4.315 3.551 4.901 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 39 MET QB 1 43 TYR QE 4.000 . 7.400 3.483 2.276 4.235 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 17 LEU MD1 1 118 TRP HE3 5.000 . 6.000 3.763 2.904 4.343 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 93 TRP HZ2 1 97 VAL MG1 5.000 . 6.000 4.402 3.883 4.932 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 60 VAL MG2 1 93 TRP HZ2 5.000 . 6.000 4.023 3.541 4.248 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 75 LEU MD1 1 108 TRP HZ3 3.000 . 4.000 3.294 3.183 3.391 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 75 LEU MD1 1 108 TRP HE3 3.000 . 4.000 2.701 2.421 3.132 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 110 HIS HE1 1 114 VAL MG1 3.000 . 4.000 3.196 3.123 3.278 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 11 LEU MD2 1 110 HIS HE1 5.000 . 6.000 4.784 4.301 4.933 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 77 HIS HE1 1 81 LEU MD2 3.000 . 4.000 2.736 1.712 3.200 0.088 24 0 "[ . 1 . 2 . 3]" 2
12 1 93 TRP HZ2 1 97 VAL MG2 4.000 . 5.000 2.801 2.523 3.319 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 85 ILE MG 1 93 TRP HZ2 4.000 . 5.000 2.578 1.865 4.168 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 118 TRP HE3 1 122 ALA MB 5.000 . 6.000 2.679 2.166 3.347 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 97 VAL MG1 1 100 TRP HE3 5.000 . 6.000 4.636 4.066 4.981 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 81 LEU MD1 1 100 TRP HD1 4.000 . 5.000 3.654 3.193 4.074 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 17 LEU MD2 1 118 TRP HE3 5.000 . 6.000 4.229 3.462 4.845 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 17 LEU MD2 1 20 TYR QE 4.000 . 7.400 4.807 3.232 5.589 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 118 TRP HZ2 1 122 ALA MB 5.000 . 6.000 3.441 3.071 4.130 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 20 TYR QE 1 23 LEU MD1 3.000 . 6.400 3.649 2.889 4.725 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 93 TRP HE3 1 97 VAL MG2 3.000 . 4.000 2.973 2.635 3.168 . 0 0 "[ . 1 . 2 . 3]" 2
22 1 90 LEU MD1 1 93 TRP HE3 4.000 . 5.000 3.947 3.892 4.052 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 93 TRP HD1 1 100 TRP HZ3 5.000 . 5.000 2.415 1.901 3.620 . 0 0 "[ . 1 . 2 . 3]" 2
24 1 43 TYR QE 1 66 ILE MD 5.000 . 8.400 2.684 2.071 4.540 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 43 TYR QE 1 62 GLU QB 3.000 . 6.400 3.975 3.266 4.465 . 0 0 "[ . 1 . 2 . 3]" 2
26 1 43 TYR QE 1 66 ILE HA 5.000 . 7.400 4.261 3.549 5.038 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 39 MET QG 1 43 TYR QE 5.000 . 8.400 4.533 2.441 5.919 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 77 HIS HE1 1 107 GLU QB 3.000 . 4.000 2.772 2.179 3.423 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 118 TRP HE3 1 119 VAL MG2 3.000 . 4.000 2.151 1.810 2.770 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 20 TYR QE 1 73 VAL HA 4.000 . 6.400 4.516 3.470 5.654 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 33 LEU HA 1 36 PHE QD 4.000 . 6.400 4.012 3.022 4.707 . 0 0 "[ . 1 . 2 . 3]" 2
32 1 87 SER HA 1 88 PRO QG 5.000 . 6.000 4.143 4.036 4.205 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 87 SER HA 1 90 LEU HG 5.000 . 5.000 5.002 4.770 5.050 0.050 7 0 "[ . 1 . 2 . 3]" 2
34 1 36 PHE QD 1 37 GLU H 4.000 . 6.400 3.849 2.328 4.622 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 40 MET H 1 43 TYR QD 5.000 . 7.400 4.759 4.187 5.174 . 0 0 "[ . 1 . 2 . 3]" 2
36 1 36 PHE QD 1 70 ALA H 4.000 . 6.400 4.620 3.687 5.336 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 105 LYS H 1 108 TRP HD1 5.000 . 5.000 4.101 3.635 4.348 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 106 GLU H 1 108 TRP HD1 5.000 . 5.000 4.681 4.375 4.873 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 107 GLU H 1 108 TRP HD1 4.000 . 4.000 3.465 3.131 3.794 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 20 TYR QD 1 23 LEU H 5.000 . 7.400 5.325 4.504 6.141 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 110 HIS HD2 1 111 ASP H 5.000 . 5.000 4.349 3.803 4.828 . 0 0 "[ . 1 . 2 . 3]" 2
42 1 108 TRP HE3 1 112 VAL H 5.000 . 5.000 3.613 3.220 3.978 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 64 HIS HD2 1 65 LYS H 5.000 . 5.000 2.374 1.849 2.599 . 0 0 "[ . 1 . 2 . 3]" 2
44 1 35 VAL HA 1 39 MET H 5.000 . 5.000 4.400 3.974 4.624 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 43 TYR H 1 43 TYR QE 5.000 . 7.400 5.361 4.747 5.684 . 0 0 "[ . 1 . 2 . 3]" 2
46 1 43 TYR QD 1 45 SER H 5.000 . 7.400 5.718 5.331 6.163 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 43 TYR QD 1 66 ILE H 5.000 . 7.400 5.684 4.654 6.229 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 64 HIS HD2 1 66 ILE H 5.000 . 5.000 4.889 4.384 5.028 0.028 6 0 "[ . 1 . 2 . 3]" 2
49 1 43 TYR QE 1 66 ILE H 5.000 . 7.400 5.399 4.597 6.203 . 0 0 "[ . 1 . 2 . 3]" 2
50 1 108 TRP HZ3 1 109 ARG H 5.000 . 5.000 5.093 5.050 5.130 0.130 5 0 "[ . 1 . 2 . 3]" 2
51 1 108 TRP HE3 1 109 ARG H 5.000 . 5.000 3.689 3.653 3.721 . 0 0 "[ . 1 . 2 . 3]" 2
52 1 105 LYS HA 1 108 TRP HE1 4.000 . 4.000 3.274 2.587 3.674 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 108 TRP HE1 1 109 ARG QD 5.000 . 6.000 4.492 2.743 5.419 . 0 0 "[ . 1 . 2 . 3]" 2
54 1 41 PRO QB 1 108 TRP HE1 5.000 . 6.000 4.716 4.171 5.052 . 0 0 "[ . 1 . 2 . 3]" 2
55 1 44 VAL MG2 1 108 TRP HE1 5.000 . 6.000 4.017 2.800 4.456 . 0 0 "[ . 1 . 2 . 3]" 2
56 1 35 VAL H 1 36 PHE QD 5.000 . 7.400 6.201 5.758 6.502 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 20 TYR QD 1 21 LEU H 5.000 . 7.400 4.441 4.266 4.674 . 0 0 "[ . 1 . 2 . 3]" 2
58 1 20 TYR H 1 20 TYR QE 5.000 . 7.400 4.603 4.006 5.153 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 18 GLU H 1 118 TRP HZ2 5.000 . 5.000 4.045 3.466 4.909 . 0 0 "[ . 1 . 2 . 3]" 2
60 1 42 GLY H 1 43 TYR QD 5.000 . 7.400 5.303 4.431 5.647 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 36 PHE QD 1 38 LYS H 5.000 . 7.400 5.536 4.715 6.289 . 0 0 "[ . 1 . 2 . 3]" 2
62 1 20 TYR QD 1 24 VAL H 5.000 . 7.400 4.808 3.720 5.614 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 18 GLU QG 1 118 TRP HZ2 5.000 . 6.000 3.872 2.913 5.220 . 0 0 "[ . 1 . 2 . 3]" 2
64 1 18 GLU HA 1 118 TRP HZ2 5.000 . 5.000 4.458 3.781 5.008 0.008 20 0 "[ . 1 . 2 . 3]" 2
65 1 20 TYR QE 1 72 SER HA 5.000 . 7.400 3.742 2.712 4.554 . 0 0 "[ . 1 . 2 . 3]" 2
66 1 20 TYR QE 1 74 GLY QA 5.000 . 8.400 5.302 3.915 6.306 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 14 ILE MD 1 118 TRP HZ2 5.000 . 6.000 4.496 3.721 4.966 . 0 0 "[ . 1 . 2 . 3]" 2
68 1 20 TYR QE 1 72 SER QB 5.000 . 8.400 4.099 3.233 5.174 . 0 0 "[ . 1 . 2 . 3]" 2
69 1 39 MET HA 1 43 TYR QE 5.000 . 7.400 5.971 4.791 6.561 . 0 0 "[ . 1 . 2 . 3]" 2
70 1 36 PHE HA 1 43 TYR QE 5.000 . 7.400 5.100 4.480 5.431 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 43 TYR QE 1 46 VAL MG1 5.000 . 8.400 4.831 3.707 5.396 . 0 0 "[ . 1 . 2 . 3]" 2
72 1 61 GLU HA 1 64 HIS HD2 5.000 . 5.000 2.423 1.991 3.642 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 105 LYS HA 1 108 TRP HD1 5.000 . 5.000 1.914 1.831 2.070 . 0 0 "[ . 1 . 2 . 3]" 2
74 1 104 MET HA 1 108 TRP HD1 5.000 . 5.000 4.705 4.090 5.016 0.016 24 0 "[ . 1 . 2 . 3]" 2
75 1 64 HIS HD2 1 65 LYS HA 5.000 . 5.000 4.597 3.104 5.006 0.006 4 0 "[ . 1 . 2 . 3]" 2
76 1 64 HIS HD2 1 67 LYS QE 5.000 . 6.000 5.405 5.053 5.459 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 36 PHE QD 1 69 ALA MB 5.000 . 8.400 3.332 2.198 4.166 . 0 0 "[ . 1 . 2 . 3]" 2
78 1 36 PHE QE 1 69 ALA MB 3.000 . 6.400 2.323 1.768 3.285 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 85 ILE HA 1 86 GLN QE 5.000 . 6.000 4.993 3.931 5.308 . 0 0 "[ . 1 . 2 . 3]" 2
80 1 51 LEU MD1 1 54 GLN QE 5.000 . 7.000 4.500 3.324 5.280 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 19 GLN QE 1 23 LEU MD2 5.000 . 7.000 4.112 2.149 5.057 . 0 0 "[ . 1 . 2 . 3]" 2
82 1 16 MET HA 1 19 GLN QE 5.000 . 6.000 4.219 2.459 5.398 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 93 TRP HD1 1 96 ASN QD 5.000 . 6.000 4.546 3.690 5.124 . 0 0 "[ . 1 . 2 . 3]" 2
84 1 96 ASN QD 1 97 VAL H 5.000 . 6.000 4.763 4.204 5.298 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 95 ASP QB 1 96 ASN QD 5.000 . 7.000 4.656 3.880 5.614 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 93 TRP HA 1 96 ASN QD 5.000 . 6.000 2.790 1.862 3.713 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 5 ASN QD 1 7 LYS QD 4.000 . 6.000 3.695 1.949 4.809 . 0 0 "[ . 1 . 2 . 3]" 2
88 1 4 GLU QG 1 5 ASN QD 4.000 . 6.000 3.978 2.493 4.746 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 46 VAL MG1 1 50 ASN QD 5.000 . 7.000 3.061 2.058 4.859 . 0 0 "[ . 1 . 2 . 3]" 2
90 1 50 ASN QD 1 62 GLU QG 5.000 . 7.000 4.121 2.997 5.308 . 0 0 "[ . 1 . 2 . 3]" 2
91 1 47 LEU HA 1 50 ASN QD 5.000 . 6.000 3.590 1.929 4.934 . 0 0 "[ . 1 . 2 . 3]" 2
92 1 93 TRP HE1 1 97 VAL MG2 5.000 . 6.000 3.366 3.028 3.901 . 0 0 "[ . 1 . 2 . 3]" 2
93 1 85 ILE MG 1 93 TRP HE1 5.000 . 6.000 4.113 3.829 4.878 . 0 0 "[ . 1 . 2 . 3]" 2
94 1 85 ILE HB 1 93 TRP HE1 5.000 . 5.000 4.564 3.873 5.013 0.013 13 0 "[ . 1 . 2 . 3]" 2
95 1 85 ILE H 1 93 TRP HE1 5.000 . 5.000 3.679 3.233 4.123 . 0 0 "[ . 1 . 2 . 3]" 2
96 1 86 GLN H 1 93 TRP HE1 5.000 . 5.000 4.667 4.455 4.947 . 0 0 "[ . 1 . 2 . 3]" 2
97 1 87 SER H 1 93 TRP HE1 4.000 . 4.000 3.942 3.390 4.057 0.057 25 0 "[ . 1 . 2 . 3]" 2
98 1 93 TRP HE1 1 100 TRP HZ2 5.000 . 5.000 4.943 4.649 5.035 0.035 22 0 "[ . 1 . 2 . 3]" 2
99 1 93 TRP HE1 1 100 TRP QB 5.000 . 6.000 4.979 4.669 5.392 . 0 0 "[ . 1 . 2 . 3]" 2
100 1 88 PRO HA 1 93 TRP HE1 5.000 . 5.000 4.951 4.643 5.063 0.063 28 0 "[ . 1 . 2 . 3]" 2
101 1 81 LEU HA 1 100 TRP HE1 5.000 . 5.000 2.272 1.867 2.964 . 0 0 "[ . 1 . 2 . 3]" 2
102 1 80 GLN QB 1 100 TRP HE1 5.000 . 6.000 5.185 4.826 5.407 . 0 0 "[ . 1 . 2 . 3]" 2
103 1 81 LEU HG 1 100 TRP HE1 5.000 . 5.000 2.360 1.856 4.941 . 0 0 "[ . 1 . 2 . 3]" 2
104 1 81 LEU QB 1 100 TRP HE1 5.000 . 6.000 3.708 3.153 4.386 . 0 0 "[ . 1 . 2 . 3]" 2
105 1 81 LEU MD2 1 100 TRP HE1 5.000 . 6.000 3.526 2.074 4.343 . 0 0 "[ . 1 . 2 . 3]" 2
106 1 60 VAL MG2 1 93 TRP HE1 6.000 . 7.000 5.696 5.361 5.792 . 0 0 "[ . 1 . 2 . 3]" 2
107 1 36 PHE QE 1 75 LEU MD1 5.000 . 8.400 3.333 2.121 4.754 . 0 0 "[ . 1 . 2 . 3]" 2
108 1 41 PRO HA 1 108 TRP HZ2 5.000 . 5.000 4.658 3.722 5.022 0.022 4 0 "[ . 1 . 2 . 3]" 2
109 1 36 PHE QD 1 70 ALA HA 5.000 . 7.400 3.704 3.276 4.043 . 0 0 "[ . 1 . 2 . 3]" 2
110 1 36 PHE QE 1 70 ALA HA 5.000 . 7.400 3.309 2.530 3.954 . 0 0 "[ . 1 . 2 . 3]" 2
111 1 36 PHE QE 1 112 VAL MG2 5.000 . 8.400 4.601 3.004 6.037 . 0 0 "[ . 1 . 2 . 3]" 2
112 1 82 GLY H 1 104 MET ME 5.000 . 6.000 4.481 3.229 4.990 . 0 0 "[ . 1 . 2 . 3]" 2
113 1 36 PHE QE 1 40 MET ME 3.000 . 6.400 2.908 1.888 4.705 . 0 0 "[ . 1 . 2 . 3]" 2
114 1 16 MET ME 1 74 GLY QA 5.000 . 7.000 4.017 2.238 4.812 . 0 0 "[ . 1 . 2 . 3]" 2
115 1 40 MET ME 1 108 TRP HD1 5.000 . 6.000 4.234 2.929 4.959 . 0 0 "[ . 1 . 2 . 3]" 2
116 1 36 PHE QE 1 78 LEU MD1 5.000 . 8.400 4.546 2.776 5.546 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 154
_Distance_constraint_stats_list.Viol_count 894
_Distance_constraint_stats_list.Viol_total 737.907
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0160
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0275
_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 6 SER 0.144 0.034 15 0 "[ . 1 . 2 . 3]"
1 10 ALA 0.144 0.034 15 0 "[ . 1 . 2 . 3]"
1 13 ASP 0.948 0.095 27 0 "[ . 1 . 2 . 3]"
1 14 ILE 0.130 0.026 13 0 "[ . 1 . 2 . 3]"
1 15 PRO 0.011 0.006 4 0 "[ . 1 . 2 . 3]"
1 16 MET 0.125 0.026 28 0 "[ . 1 . 2 . 3]"
1 17 LEU 0.315 0.032 20 0 "[ . 1 . 2 . 3]"
1 18 GLU 0.383 0.040 29 0 "[ . 1 . 2 . 3]"
1 19 GLN 0.011 0.006 4 0 "[ . 1 . 2 . 3]"
1 20 TYR 0.170 0.029 2 0 "[ . 1 . 2 . 3]"
1 21 LEU 0.223 0.032 20 0 "[ . 1 . 2 . 3]"
1 22 GLU 0.253 0.040 29 0 "[ . 1 . 2 . 3]"
1 24 VAL 0.023 0.013 8 0 "[ . 1 . 2 . 3]"
1 25 GLY 0.093 0.029 2 0 "[ . 1 . 2 . 3]"
1 26 PRO 0.078 0.018 10 0 "[ . 1 . 2 . 3]"
1 29 ILE 0.113 0.022 3 0 "[ . 1 . 2 . 3]"
1 30 THR 0.222 0.042 22 0 "[ . 1 . 2 . 3]"
1 31 ASP 0.259 0.037 7 0 "[ . 1 . 2 . 3]"
1 32 GLY 0.014 0.008 13 0 "[ . 1 . 2 . 3]"
1 33 LEU 0.405 0.040 22 0 "[ . 1 . 2 . 3]"
1 34 ALA 0.591 0.056 20 0 "[ . 1 . 2 . 3]"
1 35 VAL 0.554 0.037 7 0 "[ . 1 . 2 . 3]"
1 36 PHE 1.782 0.120 5 0 "[ . 1 . 2 . 3]"
1 37 GLU 0.292 0.040 22 0 "[ . 1 . 2 . 3]"
1 38 LYS 0.447 0.056 20 0 "[ . 1 . 2 . 3]"
1 39 MET 0.509 0.041 16 0 "[ . 1 . 2 . 3]"
1 40 MET 2.085 0.120 5 0 "[ . 1 . 2 . 3]"
1 41 PRO 0.051 0.010 23 0 "[ . 1 . 2 . 3]"
1 42 GLY 0.314 0.048 17 0 "[ . 1 . 2 . 3]"
1 43 TYR 0.249 0.041 16 0 "[ . 1 . 2 . 3]"
1 44 VAL 0.328 0.039 10 0 "[ . 1 . 2 . 3]"
1 45 SER 0.296 0.032 19 0 "[ . 1 . 2 . 3]"
1 46 VAL 0.322 0.048 17 0 "[ . 1 . 2 . 3]"
1 47 LEU 0.143 0.035 19 0 "[ . 1 . 2 . 3]"
1 48 GLU 0.224 0.030 1 0 "[ . 1 . 2 . 3]"
1 49 SER 0.245 0.032 19 0 "[ . 1 . 2 . 3]"
1 50 ASN 0.008 0.006 12 0 "[ . 1 . 2 . 3]"
1 51 LEU 0.153 0.035 19 0 "[ . 1 . 2 . 3]"
1 52 THR 0.213 0.030 1 0 "[ . 1 . 2 . 3]"
1 54 GLN 0.045 0.009 22 0 "[ . 1 . 2 . 3]"
1 55 ASP 0.024 0.024 30 0 "[ . 1 . 2 . 3]"
1 56 LYS 0.067 0.036 14 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.060 0.020 4 0 "[ . 1 . 2 . 3]"
1 58 GLY 0.083 0.037 6 0 "[ . 1 . 2 . 3]"
1 59 ILE 0.253 0.029 5 0 "[ . 1 . 2 . 3]"
1 60 VAL 0.067 0.036 14 0 "[ . 1 . 2 . 3]"
1 61 GLU 0.182 0.061 21 0 "[ . 1 . 2 . 3]"
1 62 GLU 0.331 0.040 2 0 "[ . 1 . 2 . 3]"
1 63 GLY 0.374 0.051 4 0 "[ . 1 . 2 . 3]"
1 65 LYS 0.423 0.061 21 0 "[ . 1 . 2 . 3]"
1 66 ILE 0.286 0.040 2 0 "[ . 1 . 2 . 3]"
1 67 LYS 0.148 0.051 4 0 "[ . 1 . 2 . 3]"
1 69 ALA 0.301 0.050 4 0 "[ . 1 . 2 . 3]"
1 70 ALA 0.672 0.073 19 0 "[ . 1 . 2 . 3]"
1 71 GLY 0.138 0.021 4 0 "[ . 1 . 2 . 3]"
1 74 GLY 2.439 0.095 27 0 "[ . 1 . 2 . 3]"
1 75 LEU 1.011 0.073 19 0 "[ . 1 . 2 . 3]"
1 76 ARG 1.598 0.089 13 0 "[ . 1 . 2 . 3]"
1 77 HIS 0.186 0.027 9 0 "[ . 1 . 2 . 3]"
1 78 LEU 0.019 0.017 27 0 "[ . 1 . 2 . 3]"
1 79 GLN 0.401 0.056 14 0 "[ . 1 . 2 . 3]"
1 80 GLN 0.283 0.033 19 0 "[ . 1 . 2 . 3]"
1 81 LEU 0.197 0.027 9 0 "[ . 1 . 2 . 3]"
1 82 GLY 0.432 0.043 20 0 "[ . 1 . 2 . 3]"
1 83 GLN 0.024 0.016 13 0 "[ . 1 . 2 . 3]"
1 84 GLN 0.244 0.033 19 0 "[ . 1 . 2 . 3]"
1 85 ILE 0.011 0.007 3 0 "[ . 1 . 2 . 3]"
1 86 GLN 0.413 0.043 20 0 "[ . 1 . 2 . 3]"
1 87 SER 5.664 0.134 13 0 "[ . 1 . 2 . 3]"
1 90 LEU 7.424 0.134 13 0 "[ . 1 . 2 . 3]"
1 92 ALA 1.851 0.105 28 0 "[ . 1 . 2 . 3]"
1 93 TRP 2.233 0.078 1 0 "[ . 1 . 2 . 3]"
1 96 ASN 1.948 0.105 28 0 "[ . 1 . 2 . 3]"
1 97 VAL 0.447 0.077 2 0 "[ . 1 . 2 . 3]"
1 98 GLY 0.052 0.013 11 0 "[ . 1 . 2 . 3]"
1 99 GLU 0.124 0.039 12 0 "[ . 1 . 2 . 3]"
1 100 TRP 0.172 0.048 2 0 "[ . 1 . 2 . 3]"
1 101 ILE 0.039 0.021 28 0 "[ . 1 . 2 . 3]"
1 102 GLU 0.331 0.040 15 0 "[ . 1 . 2 . 3]"
1 103 GLU 0.124 0.039 12 0 "[ . 1 . 2 . 3]"
1 104 MET 0.411 0.045 4 0 "[ . 1 . 2 . 3]"
1 105 LYS 0.027 0.021 28 0 "[ . 1 . 2 . 3]"
1 106 GLU 0.280 0.040 15 0 "[ . 1 . 2 . 3]"
1 107 GLU 0.580 0.056 28 0 "[ . 1 . 2 . 3]"
1 108 TRP 0.586 0.045 4 0 "[ . 1 . 2 . 3]"
1 109 ARG 0.072 0.020 12 0 "[ . 1 . 2 . 3]"
1 110 HIS 0.013 0.013 20 0 "[ . 1 . 2 . 3]"
1 111 ASP 0.667 0.056 28 0 "[ . 1 . 2 . 3]"
1 112 VAL 0.269 0.040 23 0 "[ . 1 . 2 . 3]"
1 113 GLU 0.524 0.041 30 0 "[ . 1 . 2 . 3]"
1 114 VAL 0.275 0.081 7 0 "[ . 1 . 2 . 3]"
1 115 LEU 0.339 0.039 28 0 "[ . 1 . 2 . 3]"
1 116 LYS 0.108 0.027 21 0 "[ . 1 . 2 . 3]"
1 117 ALA 0.452 0.041 30 0 "[ . 1 . 2 . 3]"
1 118 TRP 0.262 0.081 7 0 "[ . 1 . 2 . 3]"
1 119 VAL 0.252 0.039 28 0 "[ . 1 . 2 . 3]"
1 120 ALA 0.089 0.027 21 0 "[ . 1 . 2 . 3]"
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 1 116 LYS O 1 120 ALA H 2.300 . 2.300 2.205 1.911 2.327 0.027 21 0 "[ . 1 . 2 . 3]" 3
2 1 116 LYS O 1 120 ALA N 3.300 2.800 3.300 3.108 2.838 3.271 . 0 0 "[ . 1 . 2 . 3]" 3
3 1 115 LEU O 1 119 VAL H 2.300 . 2.300 2.261 2.013 2.339 0.039 28 0 "[ . 1 . 2 . 3]" 3
4 1 115 LEU O 1 119 VAL N 3.300 2.800 3.300 3.186 2.983 3.304 0.004 26 0 "[ . 1 . 2 . 3]" 3
5 1 114 VAL O 1 118 TRP H 2.300 . 2.300 1.955 1.806 2.268 . 0 0 "[ . 1 . 2 . 3]" 3
6 1 114 VAL O 1 118 TRP N 3.300 2.800 3.300 2.853 2.719 3.142 0.081 7 0 "[ . 1 . 2 . 3]" 3
7 1 113 GLU O 1 117 ALA H 2.300 . 2.300 2.292 2.068 2.341 0.041 30 0 "[ . 1 . 2 . 3]" 3
8 1 113 GLU O 1 117 ALA N 3.300 2.800 3.300 3.249 3.048 3.308 0.008 5 0 "[ . 1 . 2 . 3]" 3
9 1 112 VAL O 1 116 LYS H 2.300 . 2.300 1.990 1.812 2.294 . 0 0 "[ . 1 . 2 . 3]" 3
10 1 112 VAL O 1 116 LYS N 3.300 2.800 3.300 2.940 2.789 3.203 0.011 20 0 "[ . 1 . 2 . 3]" 3
11 1 111 ASP O 1 115 LEU H 2.300 . 2.300 2.138 1.837 2.308 0.008 14 0 "[ . 1 . 2 . 3]" 3
12 1 111 ASP O 1 115 LEU N 3.300 2.800 3.300 3.052 2.771 3.252 0.029 11 0 "[ . 1 . 2 . 3]" 3
13 1 110 HIS O 1 114 VAL H 2.300 . 2.300 2.131 1.988 2.313 0.013 20 0 "[ . 1 . 2 . 3]" 3
14 1 110 HIS O 1 114 VAL N 3.300 2.800 3.300 3.045 2.933 3.228 . 0 0 "[ . 1 . 2 . 3]" 3
15 1 109 ARG O 1 113 GLU H 2.300 . 2.300 2.023 1.816 2.320 0.020 12 0 "[ . 1 . 2 . 3]" 3
16 1 109 ARG O 1 113 GLU N 3.300 2.800 3.300 2.959 2.784 3.218 0.016 21 0 "[ . 1 . 2 . 3]" 3
17 1 108 TRP O 1 112 VAL H 2.300 . 2.300 2.280 2.180 2.340 0.040 23 0 "[ . 1 . 2 . 3]" 3
18 1 108 TRP O 1 112 VAL N 3.300 2.800 3.300 3.182 3.056 3.287 . 0 0 "[ . 1 . 2 . 3]" 3
19 1 107 GLU O 1 111 ASP H 2.300 . 2.300 2.315 2.277 2.356 0.056 28 0 "[ . 1 . 2 . 3]" 3
20 1 107 GLU O 1 111 ASP N 3.300 2.800 3.300 3.262 3.217 3.298 . 0 0 "[ . 1 . 2 . 3]" 3
21 1 104 MET O 1 108 TRP H 2.300 . 2.300 1.885 1.785 2.115 0.015 4 0 "[ . 1 . 2 . 3]" 3
22 1 104 MET O 1 108 TRP N 3.300 2.800 3.300 2.839 2.755 3.041 0.045 4 0 "[ . 1 . 2 . 3]" 3
23 1 102 GLU O 1 106 GLU H 2.300 . 2.300 2.279 2.114 2.340 0.040 15 0 "[ . 1 . 2 . 3]" 3
24 1 102 GLU O 1 106 GLU N 3.300 2.800 3.300 3.237 3.028 3.301 0.001 15 0 "[ . 1 . 2 . 3]" 3
25 1 101 ILE O 1 105 LYS H 2.300 . 2.300 2.086 1.827 2.305 0.005 24 0 "[ . 1 . 2 . 3]" 3
26 1 101 ILE O 1 105 LYS N 3.300 2.800 3.300 3.029 2.779 3.272 0.021 28 0 "[ . 1 . 2 . 3]" 3
27 1 100 TRP O 1 104 MET H 2.300 . 2.300 2.131 1.856 2.322 0.022 15 0 "[ . 1 . 2 . 3]" 3
28 1 100 TRP O 1 104 MET N 3.300 2.800 3.300 3.019 2.794 3.241 0.006 11 0 "[ . 1 . 2 . 3]" 3
29 1 99 GLU O 1 103 GLU H 2.300 . 2.300 1.946 1.823 2.237 . 0 0 "[ . 1 . 2 . 3]" 3
30 1 99 GLU O 1 103 GLU N 3.300 2.800 3.300 2.873 2.761 3.155 0.039 12 0 "[ . 1 . 2 . 3]" 3
31 1 98 GLY O 1 102 GLU H 2.300 . 2.300 2.241 2.057 2.313 0.013 11 0 "[ . 1 . 2 . 3]" 3
32 1 98 GLY O 1 102 GLU N 3.300 2.800 3.300 3.194 3.037 3.282 . 0 0 "[ . 1 . 2 . 3]" 3
33 1 97 VAL O 1 101 ILE H 2.300 . 2.300 2.091 1.896 2.311 0.011 29 0 "[ . 1 . 2 . 3]" 3
34 1 97 VAL O 1 101 ILE N 3.300 2.800 3.300 3.022 2.841 3.226 . 0 0 "[ . 1 . 2 . 3]" 3
35 1 96 ASN O 1 100 TRP H 2.300 . 2.300 2.092 1.816 2.297 . 0 0 "[ . 1 . 2 . 3]" 3
36 1 96 ASN O 1 100 TRP N 3.300 2.800 3.300 2.969 2.752 3.203 0.048 2 0 "[ . 1 . 2 . 3]" 3
37 1 93 TRP O 1 97 VAL H 2.300 . 2.300 2.001 1.797 2.288 0.003 2 0 "[ . 1 . 2 . 3]" 3
38 1 93 TRP O 1 97 VAL N 3.300 2.800 3.300 2.823 2.723 2.953 0.077 2 0 "[ . 1 . 2 . 3]" 3
39 1 80 GLN O 1 84 GLN H 2.300 . 2.300 2.259 2.030 2.333 0.033 19 0 "[ . 1 . 2 . 3]" 3
40 1 80 GLN O 1 84 GLN N 3.300 2.800 3.300 3.129 2.971 3.251 . 0 0 "[ . 1 . 2 . 3]" 3
41 1 79 GLN O 1 83 GLN H 2.300 . 2.300 2.166 1.914 2.316 0.016 13 0 "[ . 1 . 2 . 3]" 3
42 1 79 GLN O 1 83 GLN N 3.300 2.800 3.300 3.117 2.874 3.274 . 0 0 "[ . 1 . 2 . 3]" 3
43 1 78 LEU O 1 82 GLY H 2.300 . 2.300 2.159 1.968 2.317 0.017 27 0 "[ . 1 . 2 . 3]" 3
44 1 78 LEU O 1 82 GLY N 3.300 2.800 3.300 3.111 2.941 3.253 . 0 0 "[ . 1 . 2 . 3]" 3
45 1 77 HIS O 1 81 LEU H 2.300 . 2.300 2.261 2.085 2.327 0.027 9 0 "[ . 1 . 2 . 3]" 3
46 1 77 HIS O 1 81 LEU N 3.300 2.800 3.300 3.226 3.027 3.302 0.002 19 0 "[ . 1 . 2 . 3]" 3
47 1 76 ARG O 1 80 GLN H 2.300 . 2.300 2.189 1.997 2.315 0.015 11 0 "[ . 1 . 2 . 3]" 3
48 1 76 ARG O 1 80 GLN N 3.300 2.800 3.300 3.117 2.944 3.287 . 0 0 "[ . 1 . 2 . 3]" 3
49 1 63 GLY O 1 67 LYS H 2.300 . 2.300 2.210 1.838 2.351 0.051 4 0 "[ . 1 . 2 . 3]" 3
50 1 63 GLY O 1 67 LYS N 3.300 2.800 3.300 3.014 2.794 3.193 0.006 8 0 "[ . 1 . 2 . 3]" 3
51 1 62 GLU O 1 66 ILE H 2.300 . 2.300 2.209 1.962 2.340 0.040 2 0 "[ . 1 . 2 . 3]" 3
52 1 62 GLU O 1 66 ILE N 3.300 2.800 3.300 3.123 2.907 3.280 . 0 0 "[ . 1 . 2 . 3]" 3
53 1 61 GLU O 1 65 LYS H 2.300 . 2.300 2.176 1.926 2.361 0.061 21 0 "[ . 1 . 2 . 3]" 3
54 1 61 GLU O 1 65 LYS N 3.300 2.800 3.300 3.025 2.791 3.265 0.009 29 0 "[ . 1 . 2 . 3]" 3
55 1 59 ILE O 1 63 GLY H 2.300 . 2.300 2.263 2.009 2.329 0.029 5 0 "[ . 1 . 2 . 3]" 3
56 1 59 ILE O 1 63 GLY N 3.300 2.800 3.300 2.836 2.778 2.930 0.022 10 0 "[ . 1 . 2 . 3]" 3
57 1 58 GLY O 1 62 GLU H 2.300 . 2.300 2.061 1.820 2.310 0.010 9 0 "[ . 1 . 2 . 3]" 3
58 1 58 GLY O 1 62 GLU N 3.300 2.800 3.300 2.977 2.763 3.280 0.037 6 0 "[ . 1 . 2 . 3]" 3
59 1 57 LYS O 1 61 GLU H 2.300 . 2.300 2.161 1.887 2.320 0.020 4 0 "[ . 1 . 2 . 3]" 3
60 1 57 LYS O 1 61 GLU N 3.300 2.800 3.300 3.087 2.853 3.297 . 0 0 "[ . 1 . 2 . 3]" 3
61 1 56 LYS O 1 60 VAL H 2.300 . 2.300 2.026 1.823 2.299 . 0 0 "[ . 1 . 2 . 3]" 3
62 1 56 LYS O 1 60 VAL N 3.300 2.800 3.300 2.961 2.764 3.238 0.036 14 0 "[ . 1 . 2 . 3]" 3
63 1 55 ASP O 1 59 ILE H 2.300 . 2.300 2.031 1.830 2.299 . 0 0 "[ . 1 . 2 . 3]" 3
64 1 55 ASP O 1 59 ILE N 3.300 2.800 3.300 2.974 2.776 3.221 0.024 30 0 "[ . 1 . 2 . 3]" 3
65 1 45 SER O 1 49 SER H 2.300 . 2.300 2.263 2.084 2.332 0.032 19 0 "[ . 1 . 2 . 3]" 3
66 1 45 SER O 1 49 SER N 3.300 2.800 3.300 3.220 2.998 3.298 . 0 0 "[ . 1 . 2 . 3]" 3
67 1 44 VAL O 1 48 GLU H 2.300 . 2.300 2.126 1.868 2.307 0.007 22 0 "[ . 1 . 2 . 3]" 3
68 1 44 VAL O 1 48 GLU N 3.300 2.800 3.300 3.052 2.810 3.232 . 0 0 "[ . 1 . 2 . 3]" 3
69 1 43 TYR O 1 47 LEU H 2.300 . 2.300 2.148 1.876 2.316 0.016 21 0 "[ . 1 . 2 . 3]" 3
70 1 43 TYR O 1 47 LEU N 3.300 2.800 3.300 3.044 2.792 3.256 0.008 10 0 "[ . 1 . 2 . 3]" 3
71 1 42 GLY O 1 46 VAL H 2.300 . 2.300 2.270 2.044 2.348 0.048 17 0 "[ . 1 . 2 . 3]" 3
72 1 42 GLY O 1 46 VAL N 3.300 2.800 3.300 3.232 3.006 3.302 0.002 27 0 "[ . 1 . 2 . 3]" 3
73 1 41 PRO O 1 45 SER H 2.300 . 2.300 2.185 1.914 2.310 0.010 23 0 "[ . 1 . 2 . 3]" 3
74 1 41 PRO O 1 45 SER N 3.300 2.800 3.300 3.059 2.808 3.228 . 0 0 "[ . 1 . 2 . 3]" 3
75 1 40 MET O 1 44 VAL H 2.300 . 2.300 2.263 2.066 2.339 0.039 10 0 "[ . 1 . 2 . 3]" 3
76 1 40 MET O 1 44 VAL N 3.300 2.800 3.300 3.225 3.042 3.313 0.013 10 0 "[ . 1 . 2 . 3]" 3
77 1 39 MET O 1 43 TYR H 2.300 . 2.300 2.012 1.803 2.319 0.019 14 0 "[ . 1 . 2 . 3]" 3
78 1 39 MET O 1 43 TYR N 3.300 2.800 3.300 2.887 2.759 3.136 0.041 16 0 "[ . 1 . 2 . 3]" 3
79 1 36 PHE O 1 40 MET H 2.300 . 2.300 2.275 2.103 2.349 0.049 16 0 "[ . 1 . 2 . 3]" 3
80 1 36 PHE O 1 40 MET N 3.300 2.800 3.300 2.757 2.680 2.811 0.120 5 0 "[ . 1 . 2 . 3]" 3
81 1 35 VAL O 1 39 MET H 2.300 . 2.300 2.285 2.108 2.333 0.033 23 0 "[ . 1 . 2 . 3]" 3
82 1 35 VAL O 1 39 MET N 3.300 2.800 3.300 3.205 3.044 3.293 . 0 0 "[ . 1 . 2 . 3]" 3
83 1 34 ALA O 1 38 LYS H 2.300 . 2.300 2.276 2.042 2.356 0.056 20 0 "[ . 1 . 2 . 3]" 3
84 1 34 ALA O 1 38 LYS N 3.300 2.800 3.300 3.153 3.001 3.273 . 0 0 "[ . 1 . 2 . 3]" 3
85 1 33 LEU O 1 37 GLU H 2.300 . 2.300 1.978 1.813 2.303 0.003 29 0 "[ . 1 . 2 . 3]" 3
86 1 33 LEU O 1 37 GLU N 3.300 2.800 3.300 2.814 2.760 2.995 0.040 22 0 "[ . 1 . 2 . 3]" 3
87 1 32 GLY O 1 36 PHE H 2.300 . 2.300 2.158 1.885 2.308 0.008 13 0 "[ . 1 . 2 . 3]" 3
88 1 32 GLY O 1 36 PHE N 3.300 2.800 3.300 3.069 2.835 3.283 . 0 0 "[ . 1 . 2 . 3]" 3
89 1 31 ASP O 1 35 VAL H 2.300 . 2.300 2.288 2.194 2.337 0.037 7 0 "[ . 1 . 2 . 3]" 3
90 1 31 ASP O 1 35 VAL N 3.300 2.800 3.300 3.228 3.160 3.290 . 0 0 "[ . 1 . 2 . 3]" 3
91 1 30 THR O 1 34 ALA H 2.300 . 2.300 2.088 1.787 2.282 0.013 22 0 "[ . 1 . 2 . 3]" 3
92 1 30 THR O 1 34 ALA N 3.300 2.800 3.300 2.948 2.758 3.229 0.042 22 0 "[ . 1 . 2 . 3]" 3
93 1 29 ILE O 1 33 LEU H 2.300 . 2.300 2.184 1.872 2.322 0.022 3 0 "[ . 1 . 2 . 3]" 3
94 1 29 ILE O 1 33 LEU N 3.300 2.800 3.300 3.023 2.791 3.223 0.009 15 0 "[ . 1 . 2 . 3]" 3
95 1 17 LEU O 1 21 LEU H 2.300 . 2.300 2.231 1.994 2.332 0.032 20 0 "[ . 1 . 2 . 3]" 3
96 1 17 LEU O 1 21 LEU N 3.300 2.800 3.300 3.149 2.953 3.278 . 0 0 "[ . 1 . 2 . 3]" 3
97 1 16 MET O 1 20 TYR H 2.300 . 2.300 2.137 1.894 2.326 0.026 28 0 "[ . 1 . 2 . 3]" 3
98 1 16 MET O 1 20 TYR N 3.300 2.800 3.300 3.098 2.873 3.278 . 0 0 "[ . 1 . 2 . 3]" 3
99 1 15 PRO O 1 19 GLN H 2.300 . 2.300 2.074 1.822 2.301 0.001 7 0 "[ . 1 . 2 . 3]" 3
100 1 15 PRO O 1 19 GLN N 3.300 2.800 3.300 3.005 2.794 3.254 0.006 4 0 "[ . 1 . 2 . 3]" 3
101 1 14 ILE O 1 18 GLU H 2.300 . 2.300 2.224 1.931 2.326 0.026 13 0 "[ . 1 . 2 . 3]" 3
102 1 14 ILE O 1 18 GLU N 3.300 2.800 3.300 3.149 2.853 3.267 . 0 0 "[ . 1 . 2 . 3]" 3
103 1 84 GLN O 1 87 SER H 2.300 . 2.300 2.096 1.882 2.314 0.014 17 0 "[ . 1 . 2 . 3]" 3
104 1 84 GLN O 1 87 SER N 3.300 2.800 3.300 2.965 2.791 3.215 0.009 21 0 "[ . 1 . 2 . 3]" 3
105 1 87 SER O 1 90 LEU H 2.300 . 2.300 2.415 2.388 2.434 0.134 13 0 "[ . 1 . 2 . 3]" 3
106 1 87 SER O 1 90 LEU N 3.300 2.800 3.300 3.373 3.356 3.396 0.096 13 0 "[ . 1 . 2 . 3]" 3
107 1 90 LEU O 1 93 TRP H 2.300 . 2.300 2.360 2.344 2.378 0.078 1 0 "[ . 1 . 2 . 3]" 3
108 1 90 LEU O 1 93 TRP N 3.300 2.800 3.300 3.115 3.045 3.168 . 0 0 "[ . 1 . 2 . 3]" 3
109 1 6 SER O 1 10 ALA H 2.300 . 2.300 2.202 1.919 2.334 0.034 15 0 "[ . 1 . 2 . 3]" 3
110 1 6 SER O 1 10 ALA N 3.300 2.800 3.300 3.047 2.799 3.254 0.001 25 0 "[ . 1 . 2 . 3]" 3
111 1 13 ASP H 1 74 GLY O 2.300 . 2.300 2.299 1.949 2.395 0.095 27 0 "[ . 1 . 2 . 3]" 3
112 1 13 ASP N 1 74 GLY O 3.300 2.800 3.300 3.117 2.799 3.190 0.001 21 0 "[ . 1 . 2 . 3]" 3
113 1 13 ASP OD1 1 16 MET H 2.300 . 2.300 2.194 1.896 2.323 0.023 6 0 "[ . 1 . 2 . 3]" 3
114 1 13 ASP OD1 1 16 MET N 3.300 2.800 3.300 3.113 2.802 3.261 . 0 0 "[ . 1 . 2 . 3]" 3
115 1 13 ASP O 1 17 LEU H 2.300 . 2.300 2.138 1.851 2.318 0.018 4 0 "[ . 1 . 2 . 3]" 3
116 1 13 ASP O 1 17 LEU N 3.300 2.800 3.300 3.039 2.786 3.218 0.014 8 0 "[ . 1 . 2 . 3]" 3
117 1 18 GLU O 1 22 GLU H 2.300 . 2.300 2.261 1.954 2.340 0.040 29 0 "[ . 1 . 2 . 3]" 3
118 1 18 GLU O 1 22 GLU N 3.300 2.800 3.300 3.079 2.895 3.226 . 0 0 "[ . 1 . 2 . 3]" 3
119 1 20 TYR O 1 24 VAL H 2.300 . 2.300 2.059 1.858 2.275 . 0 0 "[ . 1 . 2 . 3]" 3
120 1 20 TYR O 1 24 VAL N 3.300 2.800 3.300 2.940 2.787 3.181 0.013 8 0 "[ . 1 . 2 . 3]" 3
121 1 20 TYR O 1 25 GLY H 2.300 . 2.300 2.203 1.974 2.315 0.015 22 0 "[ . 1 . 2 . 3]" 3
122 1 20 TYR O 1 25 GLY N 3.300 2.800 3.300 3.077 2.771 3.289 0.029 2 0 "[ . 1 . 2 . 3]" 3
123 1 26 PRO O 1 30 THR H 2.300 . 2.300 2.005 1.870 2.264 . 0 0 "[ . 1 . 2 . 3]" 3
124 1 26 PRO O 1 30 THR N 3.300 2.800 3.300 2.882 2.782 3.093 0.018 10 0 "[ . 1 . 2 . 3]" 3
125 1 46 VAL O 1 50 ASN H 2.300 . 2.300 2.137 1.847 2.306 0.006 12 0 "[ . 1 . 2 . 3]" 3
126 1 46 VAL O 1 50 ASN N 3.300 2.800 3.300 3.042 2.798 3.261 0.002 22 0 "[ . 1 . 2 . 3]" 3
127 1 47 LEU O 1 51 LEU H 2.300 . 2.300 2.106 1.791 2.288 0.009 6 0 "[ . 1 . 2 . 3]" 3
128 1 47 LEU O 1 51 LEU N 3.300 2.800 3.300 3.004 2.765 3.255 0.035 19 0 "[ . 1 . 2 . 3]" 3
129 1 48 GLU O 1 52 THR H 2.300 . 2.300 2.259 2.006 2.330 0.030 1 0 "[ . 1 . 2 . 3]" 3
130 1 48 GLU O 1 52 THR N 3.300 2.800 3.300 3.189 2.941 3.297 . 0 0 "[ . 1 . 2 . 3]" 3
131 1 51 LEU O 1 54 GLN H 2.300 . 2.300 2.138 1.858 2.309 0.009 22 0 "[ . 1 . 2 . 3]" 3
132 1 51 LEU O 1 54 GLN N 3.300 2.800 3.300 3.060 2.791 3.256 0.009 6 0 "[ . 1 . 2 . 3]" 3
133 1 50 ASN O 1 55 ASP H 2.300 . 2.300 2.095 1.867 2.293 . 0 0 "[ . 1 . 2 . 3]" 3
134 1 50 ASN O 1 55 ASP N 3.300 2.800 3.300 3.052 2.817 3.262 . 0 0 "[ . 1 . 2 . 3]" 3
135 1 65 LYS O 1 69 ALA H 2.300 . 2.300 2.284 2.109 2.350 0.050 4 0 "[ . 1 . 2 . 3]" 3
136 1 65 LYS O 1 69 ALA N 3.300 2.800 3.300 3.186 3.006 3.299 . 0 0 "[ . 1 . 2 . 3]" 3
137 1 66 ILE O 1 70 ALA H 2.300 . 2.300 2.082 1.821 2.313 0.013 23 0 "[ . 1 . 2 . 3]" 3
138 1 66 ILE O 1 70 ALA N 3.300 2.800 3.300 3.030 2.789 3.251 0.011 11 0 "[ . 1 . 2 . 3]" 3
139 1 67 LYS O 1 71 GLY H 2.300 . 2.300 2.079 1.838 2.303 0.003 24 0 "[ . 1 . 2 . 3]" 3
140 1 67 LYS O 1 71 GLY N 3.300 2.800 3.300 3.003 2.803 3.175 . 0 0 "[ . 1 . 2 . 3]" 3
141 1 71 GLY O 1 74 GLY H 2.300 . 2.300 2.258 1.985 2.321 0.021 4 0 "[ . 1 . 2 . 3]" 3
142 1 71 GLY O 1 74 GLY N 3.300 2.800 3.300 3.153 2.884 3.226 . 0 0 "[ . 1 . 2 . 3]" 3
143 1 70 ALA O 1 75 LEU H 2.300 . 2.300 2.308 2.219 2.373 0.073 19 0 "[ . 1 . 2 . 3]" 3
144 1 70 ALA O 1 75 LEU N 3.300 2.800 3.300 3.189 3.100 3.259 . 0 0 "[ . 1 . 2 . 3]" 3
145 1 74 GLY O 1 76 ARG H 2.300 . 2.300 2.340 2.134 2.389 0.089 13 0 "[ . 1 . 2 . 3]" 3
146 1 74 GLY O 1 76 ARG N 3.300 2.800 3.300 3.086 2.918 3.134 . 0 0 "[ . 1 . 2 . 3]" 3
147 1 75 LEU O 1 79 GLN H 2.300 . 2.300 2.286 2.153 2.356 0.056 14 0 "[ . 1 . 2 . 3]" 3
148 1 75 LEU O 1 79 GLN N 3.300 2.800 3.300 3.244 3.099 3.313 0.013 26 0 "[ . 1 . 2 . 3]" 3
149 1 81 LEU O 1 85 ILE H 2.300 . 2.300 2.139 1.845 2.305 0.005 15 0 "[ . 1 . 2 . 3]" 3
150 1 81 LEU O 1 85 ILE N 3.300 2.800 3.300 2.998 2.793 3.177 0.007 3 0 "[ . 1 . 2 . 3]" 3
151 1 82 GLY O 1 86 GLN H 2.300 . 2.300 2.306 2.193 2.343 0.043 20 0 "[ . 1 . 2 . 3]" 3
152 1 82 GLY O 1 86 GLN N 3.300 2.800 3.300 3.092 2.946 3.200 . 0 0 "[ . 1 . 2 . 3]" 3
153 1 92 ALA O 1 96 ASN H 2.300 . 2.300 2.353 2.269 2.405 0.105 28 0 "[ . 1 . 2 . 3]" 3
154 1 92 ALA O 1 96 ASN N 3.300 2.800 3.300 2.937 2.732 3.204 0.068 28 0 "[ . 1 . 2 . 3]" 3
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