NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585981 |
2mtg   |
25160 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mtg
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 791
_Distance_constraint_stats_list.Viol_count 2073
_Distance_constraint_stats_list.Viol_total 3161.768
_Distance_constraint_stats_list.Viol_max 1.070
_Distance_constraint_stats_list.Viol_rms 0.0664
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0763
_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 5 LEU 15.493 1.013 8 8 "[ .**+ 1 *-** *]"
1 6 PRO 12.139 1.017 14 13 "[**-*.*** 1 +*** **]"
1 7 SER 4.961 1.016 7 3 "[ * .-+ 1 . 2]"
1 8 LYS 26.588 1.017 14 14 "[****.-** 1 +******]"
1 9 MET 1.678 0.414 15 0 "[ . 1 . 2]"
1 10 LEU 0.930 0.072 12 0 "[ . 1 . 2]"
1 11 LEU 2.941 0.125 18 0 "[ . 1 . 2]"
1 12 VAL 3.357 0.210 10 0 "[ . 1 . 2]"
1 13 TYR 2.398 0.173 18 0 "[ . 1 . 2]"
1 14 ASP 1.934 0.149 4 0 "[ . 1 . 2]"
1 15 LEU 4.319 0.175 7 0 "[ . 1 . 2]"
1 16 TYR 3.362 0.175 7 0 "[ . 1 . 2]"
1 17 LEU 1.813 0.117 19 0 "[ . 1 . 2]"
1 18 SER 1.432 0.117 10 0 "[ . 1 . 2]"
1 20 LYS 0.048 0.027 18 0 "[ . 1 . 2]"
1 21 LEU 3.521 0.117 10 0 "[ . 1 . 2]"
1 22 TRP 2.909 0.154 15 0 "[ . 1 . 2]"
1 23 ALA 2.977 0.154 15 0 "[ . 1 . 2]"
1 24 LEU 0.168 0.027 18 0 "[ . 1 . 2]"
1 25 ALA 0.065 0.014 18 0 "[ . 1 . 2]"
1 26 THR 0.054 0.022 6 0 "[ . 1 . 2]"
1 33 VAL 1.137 0.092 5 0 "[ . 1 . 2]"
1 34 GLN 0.133 0.035 3 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 0.048 0.018 4 0 "[ . 1 . 2]"
1 37 VAL 0.622 0.064 5 0 "[ . 1 . 2]"
1 38 MET 0.893 0.091 5 0 "[ . 1 . 2]"
1 39 GLU 0.094 0.022 18 0 "[ . 1 . 2]"
1 40 HIS 0.021 0.015 16 0 "[ . 1 . 2]"
1 41 LEU 0.191 0.032 7 0 "[ . 1 . 2]"
1 42 LEU 0.101 0.019 17 0 "[ . 1 . 2]"
1 43 LYS 0.541 0.065 15 0 "[ . 1 . 2]"
1 44 LEU 0.428 0.048 6 0 "[ . 1 . 2]"
1 45 PHE 0.396 0.064 17 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 THR 0.442 0.065 15 0 "[ . 1 . 2]"
1 48 PHE 0.411 0.048 6 0 "[ . 1 . 2]"
1 49 GLY 0.064 0.027 2 0 "[ . 1 . 2]"
1 50 VAL 0.250 0.037 14 0 "[ . 1 . 2]"
1 51 ILE 3.924 0.137 9 0 "[ . 1 . 2]"
1 52 SER 0.815 0.082 8 0 "[ . 1 . 2]"
1 53 SER 4.208 0.272 11 0 "[ . 1 . 2]"
1 54 VAL 4.795 0.137 9 0 "[ . 1 . 2]"
1 55 ARG 3.352 0.176 20 0 "[ . 1 . 2]"
1 56 ILE 7.761 0.164 12 0 "[ . 1 . 2]"
1 57 LEU 3.211 0.109 5 0 "[ . 1 . 2]"
1 58 LYS 4.305 0.162 16 0 "[ . 1 . 2]"
1 59 PRO 0.931 0.102 10 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.450 0.042 16 0 "[ . 1 . 2]"
1 62 GLU 0.895 0.109 5 0 "[ . 1 . 2]"
1 63 LEU 1.589 0.102 10 0 "[ . 1 . 2]"
1 64 PRO 0.528 0.064 11 0 "[ . 1 . 2]"
1 66 ASP 1.133 0.090 7 0 "[ . 1 . 2]"
1 67 ILE 18.195 1.070 3 14 "[**+*.-** 1 *******]"
1 68 ARG 0.910 0.060 3 0 "[ . 1 . 2]"
1 70 ILE 27.753 1.063 18 11 "[** *.*** 1 *.-*+ *]"
1 71 SER 3.398 0.117 16 0 "[ . 1 . 2]"
1 72 SER 0.552 0.057 15 0 "[ . 1 . 2]"
1 73 ARG 0.031 0.025 6 0 "[ . 1 . 2]"
1 74 TYR 1.824 0.085 13 0 "[ . 1 . 2]"
1 76 GLN 1.091 0.085 13 0 "[ . 1 . 2]"
1 77 VAL 2.867 0.096 8 0 "[ . 1 . 2]"
1 78 GLY 0.752 0.149 14 0 "[ . 1 . 2]"
1 79 THR 2.523 0.174 20 0 "[ . 1 . 2]"
1 80 GLN 1.094 0.096 8 0 "[ . 1 . 2]"
1 81 GLU 1.609 0.150 3 0 "[ . 1 . 2]"
1 82 CYS 2.227 0.127 16 0 "[ . 1 . 2]"
1 83 ALA 4.437 0.210 10 0 "[ . 1 . 2]"
1 84 ILE 17.724 1.070 3 14 "[**+*.-** 1 *******]"
1 85 VAL 5.794 0.272 11 0 "[ . 1 . 2]"
1 86 GLU 2.581 0.176 20 0 "[ . 1 . 2]"
1 87 PHE 0.541 0.065 7 0 "[ . 1 . 2]"
1 88 GLU 0.250 0.037 14 0 "[ . 1 . 2]"
1 89 GLU 3.378 0.888 6 2 "[ .+ 1 .- 2]"
1 90 VAL 3.994 0.858 18 1 "[ . 1 . + 2]"
1 91 GLU 5.320 0.253 12 0 "[ . 1 . 2]"
1 92 ALA 0.914 0.108 14 0 "[ . 1 . 2]"
1 93 ALA 4.308 0.253 12 0 "[ . 1 . 2]"
1 94 ILE 0.761 0.059 20 0 "[ . 1 . 2]"
1 95 LYS 0.429 0.065 12 0 "[ . 1 . 2]"
1 96 ALA 0.521 0.072 12 0 "[ . 1 . 2]"
1 97 HIS 0.047 0.013 17 0 "[ . 1 . 2]"
1 98 GLU 1.590 0.121 11 0 "[ . 1 . 2]"
1 99 PHE 0.374 0.023 18 0 "[ . 1 . 2]"
1 100 MET 1.944 0.129 17 0 "[ . 1 . 2]"
1 101 ILE 2.180 0.121 11 0 "[ . 1 . 2]"
1 102 THR 0.138 0.084 9 0 "[ . 1 . 2]"
1 103 GLU 0.056 0.020 5 0 "[ . 1 . 2]"
1 104 SER 1.810 0.136 17 0 "[ . 1 . 2]"
1 105 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLU 0.006 0.006 12 0 "[ . 1 . 2]"
1 109 ASN 0.634 0.081 8 0 "[ . 1 . 2]"
1 110 MET 12.466 1.029 15 10 "[** .* * 1 +**-**]"
1 111 LYS 3.605 0.173 18 0 "[ . 1 . 2]"
1 112 ALA 10.702 1.029 15 10 "[** .* * 1 +**-**]"
1 113 VAL 1.713 0.112 2 0 "[ . 1 . 2]"
1 114 LEU 0.437 0.082 18 0 "[ . 1 . 2]"
1 115 ILE 25.708 1.063 18 11 "[** *.*** 1 *.-*+ *]"
1 116 GLY 0.231 0.162 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LEU QB 1 6 PRO QD 3.200 . 4.000 2.811 2.240 3.509 . 0 0 "[ . 1 . 2]" 1
2 1 5 LEU HA 1 6 PRO QD 2.500 . 3.000 1.968 1.794 2.080 0.006 5 0 "[ . 1 . 2]" 1
3 1 5 LEU QD 1 6 PRO QD 3.200 . 4.000 3.234 2.094 4.021 0.021 18 0 "[ . 1 . 2]" 1
4 1 6 PRO QG 1 8 LYS QE 3.200 . 4.000 4.582 3.531 5.017 1.017 14 13 "[**-*.*** 1 +*** **]" 1
5 1 8 LYS HA 1 90 VAL QG 3.200 . 5.000 3.867 3.303 5.002 0.002 2 0 "[ . 1 . 2]" 1
6 1 8 LYS QB 1 90 VAL QG 3.200 . 5.000 2.766 1.797 4.344 0.003 18 0 "[ . 1 . 2]" 1
7 1 8 LYS QD 1 90 VAL QG 3.200 . 5.000 2.761 1.901 3.883 . 0 0 "[ . 1 . 2]" 1
8 1 8 LYS QE 1 90 VAL QG 3.200 . 5.000 2.404 1.796 4.803 0.004 19 0 "[ . 1 . 2]" 1
9 1 8 LYS HA 1 116 GLY QA 3.200 . 4.000 3.429 2.900 4.011 0.011 1 0 "[ . 1 . 2]" 1
10 1 5 LEU QB 1 8 LYS QD 3.200 . 4.000 2.881 1.838 4.200 0.200 4 0 "[ . 1 . 2]" 1
11 1 5 LEU QD 1 8 LYS QD 3.200 . 5.000 2.341 1.776 4.296 0.024 5 0 "[ . 1 . 2]" 1
12 1 5 LEU QB 1 8 LYS QB 3.200 . 4.000 3.743 2.994 4.445 0.445 18 0 "[ . 1 . 2]" 1
13 1 9 MET ME 1 11 LEU QD 3.200 . 5.000 4.418 3.312 5.004 0.004 5 0 "[ . 1 . 2]" 1
14 1 9 MET ME 1 11 LEU QB 3.200 . 5.000 4.634 4.066 5.005 0.005 4 0 "[ . 1 . 2]" 1
15 1 9 MET QB 1 86 GLU QG 3.200 . 5.000 3.023 2.022 4.104 . 0 0 "[ . 1 . 2]" 1
16 1 9 MET ME 1 115 ILE MG 3.200 . 4.000 2.596 1.903 4.020 0.020 13 0 "[ . 1 . 2]" 1
17 1 9 MET ME 1 115 ILE MD 3.200 . 4.000 3.140 1.872 4.414 0.414 15 0 "[ . 1 . 2]" 1
18 1 9 MET ME 1 67 ILE MD 3.200 . 5.000 4.584 4.149 5.014 0.014 17 0 "[ . 1 . 2]" 1
19 1 10 LEU HA 1 114 LEU HA 3.200 . 4.000 2.672 2.157 3.182 . 0 0 "[ . 1 . 2]" 1
20 1 10 LEU QD 1 114 LEU QD 3.200 . 5.000 2.250 1.786 3.576 0.014 17 0 "[ . 1 . 2]" 1
21 1 10 LEU QB 1 114 LEU QD 3.200 . 5.000 3.125 2.096 4.536 . 0 0 "[ . 1 . 2]" 1
22 1 10 LEU HG 1 114 LEU QD 3.200 . 4.000 3.624 2.222 4.017 0.017 17 0 "[ . 1 . 2]" 1
23 1 10 LEU QB 1 90 VAL QG 3.200 . 5.000 4.794 4.111 5.041 0.041 3 0 "[ . 1 . 2]" 1
24 1 10 LEU QD 1 90 VAL QG 3.200 . 5.000 4.336 3.649 4.924 . 0 0 "[ . 1 . 2]" 1
25 1 11 LEU HA 1 84 ILE HA 2.500 . 3.000 2.432 1.990 2.712 . 0 0 "[ . 1 . 2]" 1
26 1 11 LEU HG 1 13 TYR QD 3.200 . 5.000 4.326 3.075 5.019 0.019 3 0 "[ . 1 . 2]" 1
27 1 11 LEU HG 1 13 TYR QE 3.200 . 5.000 3.801 2.424 5.024 0.024 11 0 "[ . 1 . 2]" 1
28 1 12 VAL HA 1 112 ALA HA 3.200 . 4.000 2.485 2.079 2.899 . 0 0 "[ . 1 . 2]" 1
29 1 10 LEU QD 1 12 VAL QG 3.200 . 5.000 2.787 2.257 3.373 . 0 0 "[ . 1 . 2]" 1
30 1 12 VAL QG 1 15 LEU QD 3.200 . 5.000 2.558 1.665 4.325 0.135 2 0 "[ . 1 . 2]" 1
31 1 13 TYR QD 1 74 TYR QE 3.200 . 4.000 3.414 2.489 4.004 0.004 7 0 "[ . 1 . 2]" 1
32 1 13 TYR QE 1 74 TYR QE 3.200 . 4.000 3.382 2.686 4.044 0.044 18 0 "[ . 1 . 2]" 1
33 1 11 LEU QD 1 13 TYR QD 3.200 . 5.000 3.052 1.880 3.931 . 0 0 "[ . 1 . 2]" 1
34 1 11 LEU QD 1 13 TYR QE 3.200 . 5.000 2.872 2.068 4.298 . 0 0 "[ . 1 . 2]" 1
35 1 13 TYR QD 1 113 VAL QG 3.200 . 5.000 3.474 2.729 4.030 . 0 0 "[ . 1 . 2]" 1
36 1 13 TYR QE 1 113 VAL QG 3.200 . 5.000 2.024 1.778 2.944 0.022 2 0 "[ . 1 . 2]" 1
37 1 13 TYR HA 1 82 CYS HA 3.200 . 4.000 3.447 2.683 3.893 . 0 0 "[ . 1 . 2]" 1
38 1 13 TYR QE 1 77 VAL QG 3.200 . 4.000 3.325 2.044 4.053 0.053 7 0 "[ . 1 . 2]" 1
39 1 13 TYR QD 1 77 VAL QG 3.200 . 4.000 2.328 1.774 3.104 0.026 11 0 "[ . 1 . 2]" 1
40 1 14 ASP HA 1 79 THR MG 3.200 . 4.000 2.506 2.001 3.097 . 0 0 "[ . 1 . 2]" 1
41 1 14 ASP QB 1 79 THR MG 2.500 . 3.000 2.740 1.917 3.060 0.060 17 0 "[ . 1 . 2]" 1
42 1 14 ASP QB 1 17 LEU QD 3.200 . 5.000 3.636 2.774 4.117 . 0 0 "[ . 1 . 2]" 1
43 1 14 ASP QB 1 77 VAL QG 2.500 . 3.000 1.872 1.720 2.421 0.080 12 0 "[ . 1 . 2]" 1
44 1 15 LEU HA 1 110 MET QB 3.200 . 5.000 3.001 2.038 4.021 . 0 0 "[ . 1 . 2]" 1
45 1 15 LEU HA 1 110 MET QG 3.200 . 5.000 2.915 1.782 4.410 0.018 15 0 "[ . 1 . 2]" 1
46 1 15 LEU QD 1 33 VAL QG 3.200 . 5.000 3.163 2.706 3.874 . 0 0 "[ . 1 . 2]" 1
47 1 15 LEU QB 1 33 VAL QG 3.200 . 5.000 4.953 4.602 5.092 0.092 5 0 "[ . 1 . 2]" 1
48 1 15 LEU QD 1 37 VAL QG 2.500 . 3.000 2.079 1.770 2.716 0.030 19 0 "[ . 1 . 2]" 1
49 1 15 LEU HG 1 41 LEU QD 3.200 . 5.000 3.185 1.892 5.005 0.005 3 0 "[ . 1 . 2]" 1
50 1 15 LEU HG 1 37 VAL QG 3.200 . 5.000 2.728 1.785 4.565 0.015 20 0 "[ . 1 . 2]" 1
51 1 15 LEU QB 1 41 LEU QD 3.200 . 5.000 3.162 2.257 4.040 . 0 0 "[ . 1 . 2]" 1
52 1 15 LEU QB 1 37 VAL QG 3.200 . 4.000 2.821 1.821 4.016 0.016 18 0 "[ . 1 . 2]" 1
53 1 16 TYR QD 1 21 LEU QD 3.200 . 4.000 2.635 1.860 4.014 0.014 15 0 "[ . 1 . 2]" 1
54 1 16 TYR QE 1 21 LEU QD 3.200 . 4.000 3.727 2.610 4.017 0.017 14 0 "[ . 1 . 2]" 1
55 1 15 LEU QD 1 16 TYR QD 3.200 . 5.000 3.342 2.867 3.510 . 0 0 "[ . 1 . 2]" 1
56 1 15 LEU QD 1 16 TYR QE 3.200 . 5.000 5.007 4.563 5.175 0.175 7 0 "[ . 1 . 2]" 1
57 1 16 TYR HA 1 33 VAL QG 3.200 . 4.000 3.264 2.621 3.738 . 0 0 "[ . 1 . 2]" 1
58 1 16 TYR HA 1 21 LEU QD 3.200 . 4.000 2.495 1.788 3.886 0.012 13 0 "[ . 1 . 2]" 1
59 1 16 TYR QE 1 17 LEU QD 3.200 . 4.000 3.480 1.877 4.049 0.049 18 0 "[ . 1 . 2]" 1
60 1 16 TYR QD 1 17 LEU QD 3.200 . 4.000 3.078 2.253 4.033 0.033 20 0 "[ . 1 . 2]" 1
61 1 16 TYR QE 1 33 VAL QG 3.200 . 4.000 2.909 1.793 4.059 0.059 20 0 "[ . 1 . 2]" 1
62 1 16 TYR QD 1 33 VAL QG 3.200 . 4.000 2.285 1.797 2.756 0.003 5 0 "[ . 1 . 2]" 1
63 1 17 LEU QD 1 77 VAL QG 3.200 . 4.000 3.375 2.467 4.021 0.021 12 0 "[ . 1 . 2]" 1
64 1 18 SER QB 1 21 LEU QB 2.500 . 3.000 2.522 1.974 3.005 0.005 14 0 "[ . 1 . 2]" 1
65 1 20 LYS HA 1 24 LEU QD 3.200 . 5.000 2.682 2.358 2.914 . 0 0 "[ . 1 . 2]" 1
66 1 20 LYS HA 1 24 LEU HG 3.200 . 5.000 4.799 4.391 5.027 0.027 18 0 "[ . 1 . 2]" 1
67 1 21 LEU QD 1 37 VAL QG 3.200 . 5.000 2.548 1.758 4.232 0.042 17 0 "[ . 1 . 2]" 1
68 1 21 LEU QD 1 33 VAL QG 2.500 . 3.000 1.829 1.734 2.660 0.066 11 0 "[ . 1 . 2]" 1
69 1 21 LEU HA 1 33 VAL QG 3.200 . 5.000 4.511 3.421 5.042 0.042 11 0 "[ . 1 . 2]" 1
70 1 21 LEU HA 1 36 LYS QB 3.200 . 5.000 4.787 4.391 5.018 0.018 4 0 "[ . 1 . 2]" 1
71 1 22 TRP HD1 1 23 ALA MB 3.200 . 5.000 4.025 3.468 5.154 0.154 15 0 "[ . 1 . 2]" 1
72 1 17 LEU HG 1 22 TRP HD1 3.200 . 5.000 4.089 3.263 4.803 . 0 0 "[ . 1 . 2]" 1
73 1 17 LEU HA 1 22 TRP HD1 3.200 . 5.000 3.127 2.741 3.670 . 0 0 "[ . 1 . 2]" 1
74 1 22 TRP HA 1 23 ALA MB 3.200 . 5.000 4.998 4.983 5.011 0.011 8 0 "[ . 1 . 2]" 1
75 1 22 TRP HE3 1 23 ALA MB 3.200 . 5.000 4.213 2.752 4.748 . 0 0 "[ . 1 . 2]" 1
76 1 22 TRP HZ3 1 23 ALA MB 3.200 . 5.000 4.408 2.679 5.019 0.019 11 0 "[ . 1 . 2]" 1
77 1 22 TRP HE3 1 23 ALA HA 3.200 . 5.000 4.044 3.760 4.359 . 0 0 "[ . 1 . 2]" 1
78 1 17 LEU QD 1 22 TRP HD1 3.200 . 5.000 3.665 2.287 4.515 . 0 0 "[ . 1 . 2]" 1
79 1 17 LEU QD 1 22 TRP HZ2 3.200 . 5.000 4.858 4.037 5.042 0.042 15 0 "[ . 1 . 2]" 1
80 1 22 TRP QB 1 23 ALA HA 3.200 . 5.000 4.561 4.472 4.675 . 0 0 "[ . 1 . 2]" 1
81 1 24 LEU QD 1 25 ALA MB 3.200 . 5.000 3.985 1.905 4.729 . 0 0 "[ . 1 . 2]" 1
82 1 24 LEU QB 1 25 ALA MB 3.200 . 5.000 4.125 3.307 4.445 . 0 0 "[ . 1 . 2]" 1
83 1 24 LEU HG 1 25 ALA MB 3.200 . 5.000 4.830 3.631 5.014 0.014 18 0 "[ . 1 . 2]" 1
84 1 33 VAL HA 1 36 LYS QG 3.200 . 5.000 3.852 2.957 4.607 . 0 0 "[ . 1 . 2]" 1
85 1 33 VAL HA 1 36 LYS QB 3.200 . 5.000 2.427 2.098 2.762 . 0 0 "[ . 1 . 2]" 1
86 1 33 VAL QG 1 37 VAL QG 3.200 . 5.000 2.078 1.736 2.746 0.064 5 0 "[ . 1 . 2]" 1
87 1 34 GLN QB 1 58 LYS QE 3.200 . 5.000 4.770 3.057 5.035 0.035 3 0 "[ . 1 . 2]" 1
88 1 34 GLN HA 1 37 VAL QG 3.200 . 5.000 2.876 2.293 4.046 . 0 0 "[ . 1 . 2]" 1
89 1 33 VAL QG 1 36 LYS QB 3.200 . 5.000 3.255 2.942 3.632 . 0 0 "[ . 1 . 2]" 1
90 1 21 LEU QD 1 36 LYS QB 3.200 . 5.000 2.530 1.886 3.985 . 0 0 "[ . 1 . 2]" 1
91 1 24 LEU QD 1 36 LYS QE 3.200 . 5.000 4.184 3.045 4.898 . 0 0 "[ . 1 . 2]" 1
92 1 15 LEU QD 1 37 VAL HB 3.200 . 5.000 3.258 1.891 4.115 . 0 0 "[ . 1 . 2]" 1
93 1 38 MET HA 1 56 ILE MD 3.200 . 4.000 4.035 3.939 4.091 0.091 5 0 "[ . 1 . 2]" 1
94 1 38 MET HA 1 54 VAL QG 3.200 . 5.000 4.086 3.602 4.766 . 0 0 "[ . 1 . 2]" 1
95 1 38 MET ME 1 54 VAL QG 3.200 . 4.000 2.440 1.784 3.094 0.016 2 0 "[ . 1 . 2]" 1
96 1 38 MET ME 1 56 ILE MD 3.200 . 5.000 2.881 2.145 4.366 . 0 0 "[ . 1 . 2]" 1
97 1 38 MET ME 1 56 ILE MG 3.200 . 5.000 2.884 1.884 3.627 . 0 0 "[ . 1 . 2]" 1
98 1 38 MET ME 1 56 ILE HB 3.200 . 5.000 4.263 2.487 5.005 0.005 19 0 "[ . 1 . 2]" 1
99 1 38 MET ME 1 54 VAL HB 3.200 . 5.000 2.289 1.900 3.081 . 0 0 "[ . 1 . 2]" 1
100 1 38 MET ME 1 55 ARG HA 3.200 . 4.000 3.832 3.318 4.004 0.004 5 0 "[ . 1 . 2]" 1
101 1 39 GLU QG 1 43 LYS QE 3.200 . 5.000 4.280 2.793 5.001 0.001 17 0 "[ . 1 . 2]" 1
102 1 39 GLU QG 1 43 LYS QG 3.200 . 5.000 4.657 4.084 5.002 0.002 15 0 "[ . 1 . 2]" 1
103 1 37 VAL QG 1 41 LEU QD 3.200 . 4.000 2.468 1.781 3.948 0.019 6 0 "[ . 1 . 2]" 1
104 1 15 LEU QD 1 41 LEU QD 3.200 . 5.000 3.109 2.102 3.947 . 0 0 "[ . 1 . 2]" 1
105 1 42 LEU QD 1 54 VAL QG 3.200 . 5.000 3.690 3.086 4.502 . 0 0 "[ . 1 . 2]" 1
106 1 44 LEU QD 1 99 PHE QE 3.200 . 5.000 2.312 1.792 3.177 0.008 17 0 "[ . 1 . 2]" 1
107 1 44 LEU QD 1 99 PHE QD 3.200 . 5.000 3.709 2.926 4.672 . 0 0 "[ . 1 . 2]" 1
108 1 41 LEU QD 1 45 PHE QE 3.200 . 4.000 2.320 1.815 2.932 . 0 0 "[ . 1 . 2]" 1
109 1 12 VAL QG 1 45 PHE HZ 3.200 . 4.000 2.428 2.051 2.815 . 0 0 "[ . 1 . 2]" 1
110 1 12 VAL QG 1 45 PHE QE 3.200 . 5.000 3.020 2.595 3.344 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU QD 1 45 PHE HZ 3.200 . 5.000 3.924 3.258 4.816 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU QD 1 45 PHE QE 3.200 . 5.000 3.369 2.545 3.999 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU QD 1 45 PHE QD 3.200 . 5.000 4.678 3.699 5.010 0.010 1 0 "[ . 1 . 2]" 1
114 1 44 LEU QD 1 45 PHE HZ 3.200 . 5.000 4.644 4.309 5.008 0.008 15 0 "[ . 1 . 2]" 1
115 1 44 LEU QD 1 45 PHE QE 3.200 . 5.000 3.080 2.373 4.053 . 0 0 "[ . 1 . 2]" 1
116 1 44 LEU QD 1 45 PHE QD 3.200 . 4.000 3.019 2.348 4.007 0.007 2 0 "[ . 1 . 2]" 1
117 1 45 PHE HZ 1 54 VAL QG 3.200 . 5.000 5.004 4.903 5.064 0.064 17 0 "[ . 1 . 2]" 1
118 1 45 PHE QE 1 54 VAL QG 3.200 . 5.000 3.912 3.243 4.361 . 0 0 "[ . 1 . 2]" 1
119 1 45 PHE HZ 1 85 VAL QG 3.200 . 5.000 3.528 2.924 3.929 . 0 0 "[ . 1 . 2]" 1
120 1 45 PHE QE 1 85 VAL QG 3.200 . 4.000 2.333 1.784 3.484 0.016 16 0 "[ . 1 . 2]" 1
121 1 45 PHE QD 1 85 VAL QG 3.200 . 5.000 2.889 2.152 3.941 . 0 0 "[ . 1 . 2]" 1
122 1 48 PHE QE 1 99 PHE QD 3.200 . 5.000 3.918 2.847 5.006 0.006 12 0 "[ . 1 . 2]" 1
123 1 48 PHE QD 1 99 PHE QE 3.200 . 5.000 4.206 2.044 5.002 0.002 7 0 "[ . 1 . 2]" 1
124 1 45 PHE QE 1 48 PHE HZ 3.200 . 5.000 3.564 3.039 4.120 . 0 0 "[ . 1 . 2]" 1
125 1 44 LEU QD 1 48 PHE QD 3.200 . 5.000 3.824 2.304 4.404 . 0 0 "[ . 1 . 2]" 1
126 1 44 LEU QD 1 48 PHE QE 3.200 . 5.000 2.416 1.822 3.518 . 0 0 "[ . 1 . 2]" 1
127 1 44 LEU QD 1 48 PHE HZ 3.200 . 5.000 3.378 1.922 5.000 0.000 16 0 "[ . 1 . 2]" 1
128 1 50 VAL HB 1 88 GLU QG 3.200 . 5.000 4.525 2.827 5.007 0.007 9 0 "[ . 1 . 2]" 1
129 1 51 ILE MD 1 85 VAL QG 3.200 . 4.000 2.677 1.912 4.009 0.009 19 0 "[ . 1 . 2]" 1
130 1 51 ILE MG 1 85 VAL QG 2.500 . 3.000 1.995 1.719 2.469 0.081 8 0 "[ . 1 . 2]" 1
131 1 42 LEU QD 1 51 ILE MD 3.200 . 5.000 3.146 2.218 3.743 . 0 0 "[ . 1 . 2]" 1
132 1 42 LEU QD 1 51 ILE MG 3.200 . 5.000 4.930 4.655 5.019 0.019 17 0 "[ . 1 . 2]" 1
133 1 51 ILE MD 1 54 VAL QG 3.200 . 4.000 2.071 1.767 2.853 0.033 18 0 "[ . 1 . 2]" 1
134 1 51 ILE MG 1 54 VAL QG 3.200 . 4.000 1.828 1.762 1.970 0.038 11 0 "[ . 1 . 2]" 1
135 1 51 ILE MD 1 87 PHE QD 3.200 . 4.000 4.015 3.806 4.065 0.065 7 0 "[ . 1 . 2]" 1
136 1 51 ILE MD 1 87 PHE QE 3.200 . 4.000 2.811 2.139 4.007 0.007 17 0 "[ . 1 . 2]" 1
137 1 51 ILE MG 1 87 PHE QD 3.200 . 4.000 2.287 1.912 2.716 . 0 0 "[ . 1 . 2]" 1
138 1 51 ILE MG 1 87 PHE QE 3.200 . 4.000 2.323 1.906 2.819 . 0 0 "[ . 1 . 2]" 1
139 1 51 ILE QG 1 87 PHE QD 3.200 . 5.000 2.876 2.405 3.713 . 0 0 "[ . 1 . 2]" 1
140 1 51 ILE QG 1 87 PHE QE 3.200 . 5.000 2.240 1.809 2.820 . 0 0 "[ . 1 . 2]" 1
141 1 51 ILE HA 1 87 PHE HA 2.500 . 3.000 2.406 1.969 2.704 . 0 0 "[ . 1 . 2]" 1
142 1 51 ILE HA 1 87 PHE QE 3.200 . 5.000 3.624 3.117 3.997 . 0 0 "[ . 1 . 2]" 1
143 1 52 SER QB 1 86 GLU QG 3.200 . 5.000 4.382 3.832 4.933 . 0 0 "[ . 1 . 2]" 1
144 1 53 SER QB 1 86 GLU QG 3.200 . 4.000 3.734 3.044 4.020 0.020 16 0 "[ . 1 . 2]" 1
145 1 54 VAL HB 1 56 ILE MD 3.200 . 5.000 5.087 5.060 5.122 0.122 9 0 "[ . 1 . 2]" 1
146 1 54 VAL HB 1 56 ILE MG 3.200 . 5.000 4.537 3.614 5.060 0.060 5 0 "[ . 1 . 2]" 1
147 1 51 ILE HB 1 54 VAL HB 3.200 . 5.000 5.094 5.047 5.137 0.137 9 0 "[ . 1 . 2]" 1
148 1 51 ILE MG 1 54 VAL HB 3.200 . 5.000 4.253 3.865 4.537 . 0 0 "[ . 1 . 2]" 1
149 1 51 ILE MD 1 54 VAL HB 3.200 . 5.000 4.292 3.919 5.028 0.028 7 0 "[ . 1 . 2]" 1
150 1 54 VAL HB 1 85 VAL QG 3.200 . 5.000 3.913 3.101 4.896 . 0 0 "[ . 1 . 2]" 1
151 1 54 VAL QG 1 85 VAL QG 3.200 . 4.000 1.839 1.766 2.470 0.034 13 0 "[ . 1 . 2]" 1
152 1 55 ARG QD 1 57 LEU QD 3.200 . 5.000 4.502 3.267 5.021 0.021 10 0 "[ . 1 . 2]" 1
153 1 54 VAL QG 1 56 ILE MG 3.200 . 5.000 3.015 1.992 4.815 . 0 0 "[ . 1 . 2]" 1
154 1 15 LEU QD 1 56 ILE MD 3.200 . 5.000 3.826 2.542 4.964 . 0 0 "[ . 1 . 2]" 1
155 1 54 VAL QG 1 56 ILE MD 3.200 . 5.000 3.625 3.093 4.859 . 0 0 "[ . 1 . 2]" 1
156 1 37 VAL QG 1 56 ILE MG 3.200 . 5.000 3.414 2.508 4.653 . 0 0 "[ . 1 . 2]" 1
157 1 37 VAL QG 1 56 ILE MD 3.200 . 4.000 2.486 1.797 3.506 0.003 9 0 "[ . 1 . 2]" 1
158 1 38 MET QB 1 56 ILE MD 3.200 . 5.000 3.700 3.064 4.739 . 0 0 "[ . 1 . 2]" 1
159 1 38 MET QG 1 56 ILE MD 3.200 . 5.000 3.686 2.136 4.874 . 0 0 "[ . 1 . 2]" 1
160 1 38 MET QB 1 56 ILE MG 3.200 . 5.000 4.652 4.065 5.007 0.007 18 0 "[ . 1 . 2]" 1
161 1 38 MET QG 1 56 ILE MG 3.200 . 5.000 4.212 2.693 5.007 0.007 10 0 "[ . 1 . 2]" 1
162 1 54 VAL QG 1 56 ILE HB 3.200 . 5.000 4.340 3.055 5.009 0.009 16 0 "[ . 1 . 2]" 1
163 1 56 ILE HA 1 83 ALA HA 2.500 . 3.000 1.865 1.730 2.131 0.070 20 0 "[ . 1 . 2]" 1
164 1 56 ILE HA 1 83 ALA MB 3.200 . 5.000 2.547 1.780 3.031 0.020 8 0 "[ . 1 . 2]" 1
165 1 56 ILE MG 1 58 LYS QD 3.200 . 5.000 4.699 3.400 5.042 0.042 11 0 "[ . 1 . 2]" 1
166 1 56 ILE MD 1 58 LYS QB 3.200 . 5.000 5.090 5.044 5.162 0.162 16 0 "[ . 1 . 2]" 1
167 1 57 LEU HG 1 82 CYS QB 3.200 . 5.000 2.486 1.840 3.642 . 0 0 "[ . 1 . 2]" 1
168 1 57 LEU HG 1 63 LEU QD 3.200 . 4.000 3.879 3.517 4.004 0.004 7 0 "[ . 1 . 2]" 1
169 1 57 LEU HA 1 62 GLU QB 3.200 . 4.000 4.040 3.971 4.109 0.109 5 0 "[ . 1 . 2]" 1
170 1 58 LYS HA 1 63 LEU QD 3.200 . 5.000 4.619 3.905 4.998 . 0 0 "[ . 1 . 2]" 1
171 1 59 PRO HA 1 63 LEU QD 3.200 . 4.000 2.653 2.178 3.082 . 0 0 "[ . 1 . 2]" 1
172 1 59 PRO QB 1 63 LEU QD 3.200 . 5.000 3.505 3.122 3.964 . 0 0 "[ . 1 . 2]" 1
173 1 57 LEU QD 1 61 ARG QB 3.200 . 5.000 4.620 4.396 4.828 . 0 0 "[ . 1 . 2]" 1
174 1 57 LEU QB 1 61 ARG QB 3.200 . 5.000 4.244 3.694 5.042 0.042 16 0 "[ . 1 . 2]" 1
175 1 62 GLU HA 1 63 LEU QD 3.200 . 5.000 4.617 3.810 5.034 0.034 18 0 "[ . 1 . 2]" 1
176 1 57 LEU QD 1 62 GLU QB 3.200 . 5.000 3.704 3.355 4.244 . 0 0 "[ . 1 . 2]" 1
177 1 57 LEU QB 1 62 GLU QB 3.200 . 5.000 2.999 2.776 3.379 . 0 0 "[ . 1 . 2]" 1
178 1 57 LEU QD 1 63 LEU HA 3.200 . 4.000 2.010 1.850 2.405 . 0 0 "[ . 1 . 2]" 1
179 1 57 LEU QD 1 63 LEU HG 3.200 . 4.000 2.746 2.205 3.875 . 0 0 "[ . 1 . 2]" 1
180 1 57 LEU QD 1 63 LEU QD 2.500 . 3.000 1.803 1.756 1.892 0.044 2 0 "[ . 1 . 2]" 1
181 1 59 PRO QB 1 63 LEU HG 3.200 . 5.000 5.026 4.579 5.102 0.102 10 0 "[ . 1 . 2]" 1
182 1 59 PRO HA 1 63 LEU HG 3.200 . 5.000 3.455 3.044 3.656 . 0 0 "[ . 1 . 2]" 1
183 1 57 LEU QD 1 64 PRO QD 3.200 . 4.000 1.826 1.736 2.810 0.064 11 0 "[ . 1 . 2]" 1
184 1 66 ASP HA 1 70 ILE MD 3.200 . 5.000 5.055 5.025 5.090 0.090 7 0 "[ . 1 . 2]" 1
185 1 66 ASP HA 1 70 ILE MG 3.200 . 5.000 4.255 4.064 5.028 0.028 13 0 "[ . 1 . 2]" 1
186 1 67 ILE MG 1 71 SER HA 3.200 . 5.000 3.929 3.575 5.023 0.023 17 0 "[ . 1 . 2]" 1
187 1 67 ILE MG 1 71 SER QB 2.500 . 3.000 2.121 1.817 3.032 0.032 17 0 "[ . 1 . 2]" 1
188 1 67 ILE MD 1 84 ILE MD 2.500 . 3.000 2.180 1.783 2.741 0.017 5 0 "[ . 1 . 2]" 1
189 1 67 ILE MG 1 84 ILE MD 3.200 . 4.000 3.471 2.422 4.240 0.240 3 0 "[ . 1 . 2]" 1
190 1 67 ILE MD 1 84 ILE MG 3.200 . 4.000 3.868 2.618 5.017 1.017 17 1 "[ . 1 . + 2]" 1
191 1 67 ILE MG 1 84 ILE MG 3.200 . 4.000 4.683 4.025 5.070 1.070 3 13 "[**+*.-** 1 *** ***]" 1
192 1 63 LEU QD 1 67 ILE MD 3.200 . 4.000 3.858 2.322 4.039 0.039 18 0 "[ . 1 . 2]" 1
193 1 63 LEU QD 1 67 ILE MG 3.200 . 4.000 3.597 2.467 3.957 . 0 0 "[ . 1 . 2]" 1
194 1 67 ILE MG 1 82 CYS QB 3.200 . 4.000 2.152 1.838 2.719 . 0 0 "[ . 1 . 2]" 1
195 1 67 ILE MD 1 82 CYS QB 3.200 . 5.000 3.533 1.920 4.236 . 0 0 "[ . 1 . 2]" 1
196 1 57 LEU QD 1 67 ILE MD 2.500 . 3.000 2.012 1.755 2.835 0.045 17 0 "[ . 1 . 2]" 1
197 1 57 LEU QD 1 67 ILE MG 3.200 . 4.000 2.734 1.907 3.180 . 0 0 "[ . 1 . 2]" 1
198 1 57 LEU QD 1 67 ILE HB 3.200 . 4.000 3.159 2.386 3.785 . 0 0 "[ . 1 . 2]" 1
199 1 63 LEU QD 1 68 ARG HA 3.200 . 4.000 3.178 2.250 3.797 . 0 0 "[ . 1 . 2]" 1
200 1 63 LEU QB 1 68 ARG HA 3.200 . 4.000 3.264 2.735 3.887 . 0 0 "[ . 1 . 2]" 1
201 1 63 LEU QD 1 68 ARG QB 3.200 . 5.000 3.835 2.557 4.673 . 0 0 "[ . 1 . 2]" 1
202 1 63 LEU QD 1 68 ARG QD 3.200 . 5.000 3.943 2.414 4.814 . 0 0 "[ . 1 . 2]" 1
203 1 70 ILE MG 1 74 TYR QD 3.200 . 4.000 3.770 2.676 4.015 0.015 3 0 "[ . 1 . 2]" 1
204 1 70 ILE MG 1 74 TYR QE 3.200 . 4.000 2.849 2.179 4.060 0.060 13 0 "[ . 1 . 2]" 1
205 1 70 ILE MD 1 74 TYR QD 3.200 . 4.000 4.029 4.007 4.046 0.046 7 0 "[ . 1 . 2]" 1
206 1 70 ILE MD 1 74 TYR QE 3.200 . 4.000 3.593 2.272 4.018 0.018 12 0 "[ . 1 . 2]" 1
207 1 11 LEU QD 1 70 ILE MD 3.200 . 4.000 2.826 1.715 3.858 0.085 10 0 "[ . 1 . 2]" 1
208 1 11 LEU QD 1 70 ILE MG 3.200 . 4.000 2.388 1.830 3.961 . 0 0 "[ . 1 . 2]" 1
209 1 70 ILE MD 1 113 VAL QG 3.200 . 4.000 2.581 1.956 3.564 . 0 0 "[ . 1 . 2]" 1
210 1 70 ILE MG 1 113 VAL QG 3.200 . 4.000 3.336 2.485 3.867 . 0 0 "[ . 1 . 2]" 1
211 1 70 ILE QG 1 113 VAL QG 3.200 . 5.000 3.086 2.383 3.667 . 0 0 "[ . 1 . 2]" 1
212 1 70 ILE MD 1 115 ILE MD 3.200 . 4.000 3.678 2.562 4.866 0.866 18 1 "[ . 1 . + 2]" 1
213 1 70 ILE MG 1 115 ILE MD 3.200 . 4.000 3.862 2.666 4.996 0.996 18 4 "[* . * 1 -. + 2]" 1
214 1 70 ILE MD 1 115 ILE MG 3.200 . 4.000 4.220 2.785 5.063 1.063 18 10 "[** *.*** 1 *.-*+ 2]" 1
215 1 70 ILE MG 1 115 ILE MG 3.200 . 4.000 4.482 3.767 5.037 1.037 7 10 "[** *.*+ 1 *.*-* *]" 1
216 1 71 SER HA 1 113 VAL QG 3.200 . 5.000 4.883 4.364 5.055 0.055 4 0 "[ . 1 . 2]" 1
217 1 71 SER HA 1 74 TYR QE 3.200 . 5.000 2.717 2.291 5.031 0.031 16 0 "[ . 1 . 2]" 1
218 1 71 SER HA 1 74 TYR QD 3.200 . 5.000 3.521 2.861 3.701 . 0 0 "[ . 1 . 2]" 1
219 1 63 LEU QD 1 72 SER QB 3.200 . 5.000 4.167 3.533 5.014 0.014 14 0 "[ . 1 . 2]" 1
220 1 74 TYR QD 1 77 VAL QG 3.200 . 4.000 3.255 2.550 3.961 . 0 0 "[ . 1 . 2]" 1
221 1 74 TYR QE 1 77 VAL QG 3.200 . 4.000 3.013 2.388 3.858 . 0 0 "[ . 1 . 2]" 1
222 1 74 TYR QD 1 113 VAL QG 3.200 . 5.000 3.728 2.911 4.377 . 0 0 "[ . 1 . 2]" 1
223 1 74 TYR QE 1 113 VAL QG 3.200 . 5.000 2.876 2.395 3.444 . 0 0 "[ . 1 . 2]" 1
224 1 11 LEU QD 1 74 TYR QD 3.200 . 5.000 4.515 3.390 5.031 0.031 17 0 "[ . 1 . 2]" 1
225 1 11 LEU QD 1 74 TYR QE 3.200 . 4.000 2.902 1.802 4.017 0.017 16 0 "[ . 1 . 2]" 1
226 1 77 VAL HA 1 108 GLU HA 3.200 . 5.000 3.797 2.992 4.646 . 0 0 "[ . 1 . 2]" 1
227 1 77 VAL HA 1 108 GLU QB 3.200 . 5.000 3.545 1.841 5.006 0.006 12 0 "[ . 1 . 2]" 1
228 1 17 LEU QD 1 78 GLY QA 3.200 . 5.000 3.618 2.710 4.987 . 0 0 "[ . 1 . 2]" 1
229 1 17 LEU QD 1 79 THR HA 3.200 . 4.000 3.759 3.257 4.016 0.016 16 0 "[ . 1 . 2]" 1
230 1 17 LEU QD 1 79 THR MG 3.200 . 4.000 2.044 1.786 2.530 0.014 19 0 "[ . 1 . 2]" 1
231 1 17 LEU QB 1 79 THR MG 3.200 . 4.000 2.688 1.843 4.008 0.008 14 0 "[ . 1 . 2]" 1
232 1 17 LEU HG 1 79 THR MG 3.200 . 5.000 4.243 3.190 4.865 . 0 0 "[ . 1 . 2]" 1
233 1 79 THR MG 1 80 GLN QG 3.200 . 5.000 4.661 4.084 5.022 0.022 11 0 "[ . 1 . 2]" 1
234 1 78 GLY QA 1 79 THR MG 3.200 . 5.000 4.512 4.060 5.149 0.149 14 0 "[ . 1 . 2]" 1
235 1 78 GLY QA 1 79 THR HB 3.200 . 5.000 4.084 3.851 4.720 . 0 0 "[ . 1 . 2]" 1
236 1 78 GLY QA 1 79 THR HA 3.200 . 5.000 4.041 4.001 4.083 . 0 0 "[ . 1 . 2]" 1
237 1 77 VAL HB 1 80 GLN HA 3.200 . 5.000 5.046 4.871 5.096 0.096 8 0 "[ . 1 . 2]" 1
238 1 63 LEU QD 1 80 GLN QG 3.200 . 5.000 3.926 2.701 4.816 . 0 0 "[ . 1 . 2]" 1
239 1 58 LYS HA 1 81 GLU HA 2.500 . 3.000 3.043 2.929 3.150 0.150 3 0 "[ . 1 . 2]" 1
240 1 15 LEU QD 1 81 GLU QB 3.200 . 4.000 2.690 1.861 4.027 0.027 19 0 "[ . 1 . 2]" 1
241 1 15 LEU QB 1 81 GLU QB 3.200 . 5.000 4.658 3.652 5.074 0.074 11 0 "[ . 1 . 2]" 1
242 1 15 LEU QD 1 81 GLU QG 3.200 . 5.000 3.057 1.792 4.281 0.008 7 0 "[ . 1 . 2]" 1
243 1 58 LYS QD 1 81 GLU QG 3.200 . 5.000 3.968 1.963 5.023 0.023 9 0 "[ . 1 . 2]" 1
244 1 58 LYS QE 1 81 GLU QB 3.200 . 5.000 4.114 2.258 5.045 0.045 5 0 "[ . 1 . 2]" 1
245 1 57 LEU QD 1 82 CYS QB 2.500 . 3.000 1.948 1.770 2.777 0.030 16 0 "[ . 1 . 2]" 1
246 1 56 ILE MD 1 83 ALA HA 3.200 . 5.000 4.840 3.976 5.164 0.164 12 0 "[ . 1 . 2]" 1
247 1 56 ILE MD 1 83 ALA MB 3.200 . 5.000 3.439 2.242 4.139 . 0 0 "[ . 1 . 2]" 1
248 1 56 ILE MG 1 83 ALA MB 3.200 . 5.000 2.501 1.714 4.235 0.086 10 0 "[ . 1 . 2]" 1
249 1 56 ILE HB 1 83 ALA MB 3.200 . 5.000 3.066 2.451 4.009 . 0 0 "[ . 1 . 2]" 1
250 1 12 VAL HB 1 83 ALA MB 3.200 . 5.000 2.656 1.775 4.034 0.025 15 0 "[ . 1 . 2]" 1
251 1 12 VAL QG 1 83 ALA MB 3.200 . 4.000 1.742 1.590 1.893 0.210 10 0 "[ . 1 . 2]" 1
252 1 54 VAL QG 1 83 ALA MB 3.200 . 5.000 2.857 2.464 3.924 . 0 0 "[ . 1 . 2]" 1
253 1 15 LEU QD 1 83 ALA MB 3.200 . 5.000 3.431 2.172 4.945 . 0 0 "[ . 1 . 2]" 1
254 1 9 MET ME 1 84 ILE MD 3.200 . 5.000 3.449 2.900 4.501 . 0 0 "[ . 1 . 2]" 1
255 1 9 MET ME 1 84 ILE MG 3.200 . 4.000 2.361 1.823 3.072 . 0 0 "[ . 1 . 2]" 1
256 1 55 ARG QB 1 84 ILE MG 3.200 . 5.000 3.667 3.075 4.941 . 0 0 "[ . 1 . 2]" 1
257 1 55 ARG QB 1 84 ILE MD 3.200 . 5.000 3.402 2.173 4.981 . 0 0 "[ . 1 . 2]" 1
258 1 57 LEU QD 1 84 ILE MD . . 3.000 2.189 1.791 3.015 0.015 16 0 "[ . 1 . 2]" 1
259 1 11 LEU QD 1 84 ILE MD 3.200 . 5.000 3.681 1.769 4.523 0.031 4 0 "[ . 1 . 2]" 1
260 1 11 LEU QD 1 84 ILE MG 3.200 . 5.000 3.844 2.970 4.661 . 0 0 "[ . 1 . 2]" 1
261 1 11 LEU QB 1 84 ILE MD 3.200 . 4.000 3.620 2.478 4.023 0.023 15 0 "[ . 1 . 2]" 1
262 1 11 LEU QB 1 84 ILE MG 3.200 . 4.000 3.432 2.626 3.883 . 0 0 "[ . 1 . 2]" 1
263 1 55 ARG QG 1 84 ILE MD 3.200 . 5.000 4.368 2.991 5.007 0.007 5 0 "[ . 1 . 2]" 1
264 1 55 ARG QD 1 84 ILE MD 3.200 . 5.000 3.629 2.508 5.003 0.003 18 0 "[ . 1 . 2]" 1
265 1 55 ARG QG 1 84 ILE MG 3.200 . 5.000 4.374 3.200 5.026 0.026 3 0 "[ . 1 . 2]" 1
266 1 55 ARG QD 1 84 ILE MG 3.200 . 5.000 3.829 2.979 4.685 . 0 0 "[ . 1 . 2]" 1
267 1 55 ARG QB 1 84 ILE HB 3.200 . 5.000 2.382 1.938 3.897 . 0 0 "[ . 1 . 2]" 1
268 1 54 VAL QG 1 85 VAL HA 3.200 . 5.000 2.673 2.414 2.998 . 0 0 "[ . 1 . 2]" 1
269 1 54 VAL HA 1 85 VAL HA 2.500 . 3.000 2.331 2.183 2.456 . 0 0 "[ . 1 . 2]" 1
270 1 10 LEU QD 1 85 VAL QG 3.200 . 4.000 2.073 1.780 2.750 0.020 2 0 "[ . 1 . 2]" 1
271 1 85 VAL HB 1 87 PHE QE 3.200 . 5.000 2.969 1.982 4.777 . 0 0 "[ . 1 . 2]" 1
272 1 9 MET HA 1 86 GLU HA 3.200 . 4.000 3.497 2.853 4.006 0.006 11 0 "[ . 1 . 2]" 1
273 1 9 MET QB 1 86 GLU HA 3.200 . 5.000 4.016 2.372 4.936 . 0 0 "[ . 1 . 2]" 1
274 1 10 LEU QD 1 87 PHE QE 3.200 . 5.000 2.726 1.918 4.938 . 0 0 "[ . 1 . 2]" 1
275 1 10 LEU QD 1 87 PHE QD 3.200 . 5.000 3.960 2.950 4.946 . 0 0 "[ . 1 . 2]" 1
276 1 85 VAL QG 1 87 PHE QE 3.200 . 4.000 2.366 1.970 3.041 . 0 0 "[ . 1 . 2]" 1
277 1 85 VAL QG 1 87 PHE QD 3.200 . 4.000 3.338 1.890 3.738 . 0 0 "[ . 1 . 2]" 1
278 1 5 LEU QD 1 89 GLU QG 3.200 . 4.000 3.339 1.797 4.888 0.888 6 1 "[ .+ 1 . 2]" 1
279 1 5 LEU QD 1 89 GLU HA 3.200 . 4.000 3.672 2.322 4.597 0.597 16 1 "[ . 1 .+ 2]" 1
280 1 8 LYS QB 1 90 VAL HA 3.200 . 5.000 3.747 2.644 4.875 . 0 0 "[ . 1 . 2]" 1
281 1 8 LYS QB 1 90 VAL HB 3.200 . 5.000 2.786 1.791 4.659 0.009 12 0 "[ . 1 . 2]" 1
282 1 8 LYS QG 1 90 VAL HB 3.200 . 5.000 2.519 1.859 5.019 0.019 18 0 "[ . 1 . 2]" 1
283 1 8 LYS QE 1 90 VAL HB 3.200 . 5.000 3.383 2.024 5.006 0.006 6 0 "[ . 1 . 2]" 1
284 1 91 GLU HA 1 94 ILE HB 3.200 . 5.000 3.035 2.135 4.874 . 0 0 "[ . 1 . 2]" 1
285 1 91 GLU HA 1 94 ILE MD 3.200 . 5.000 2.482 1.842 3.904 . 0 0 "[ . 1 . 2]" 1
286 1 91 GLU HA 1 94 ILE MG 3.200 . 5.000 3.437 1.868 4.138 . 0 0 "[ . 1 . 2]" 1
287 1 91 GLU QB 1 94 ILE MD 3.200 . 5.000 3.919 3.016 5.027 0.027 4 0 "[ . 1 . 2]" 1
288 1 91 GLU QB 1 94 ILE MG 3.200 . 5.000 4.699 3.384 5.034 0.034 6 0 "[ . 1 . 2]" 1
289 1 87 PHE QD 1 92 ALA MB 3.200 . 5.000 3.177 1.839 3.885 . 0 0 "[ . 1 . 2]" 1
290 1 87 PHE QE 1 92 ALA MB 3.200 . 5.000 4.343 2.626 5.018 0.018 1 0 "[ . 1 . 2]" 1
291 1 49 GLY QA 1 92 ALA MB 3.200 . 4.000 2.390 1.952 2.629 . 0 0 "[ . 1 . 2]" 1
292 1 87 PHE QB 1 92 ALA MB 3.200 . 5.000 2.636 1.790 3.259 0.010 2 0 "[ . 1 . 2]" 1
293 1 92 ALA HA 1 95 LYS QB 3.200 . 5.000 3.335 2.938 4.052 . 0 0 "[ . 1 . 2]" 1
294 1 92 ALA MB 1 96 ALA MB 3.200 . 5.000 4.320 3.461 4.795 . 0 0 "[ . 1 . 2]" 1
295 1 49 GLY QA 1 92 ALA HA 3.200 . 5.000 4.120 2.723 4.822 . 0 0 "[ . 1 . 2]" 1
296 1 87 PHE QD 1 93 ALA MB 3.200 . 5.000 2.388 1.828 3.808 . 0 0 "[ . 1 . 2]" 1
297 1 87 PHE QE 1 93 ALA MB 3.200 . 5.000 2.606 1.848 4.664 . 0 0 "[ . 1 . 2]" 1
298 1 87 PHE QD 1 93 ALA HA 3.200 . 5.000 3.658 2.924 4.502 . 0 0 "[ . 1 . 2]" 1
299 1 93 ALA HA 1 96 ALA MB 3.200 . 5.000 2.720 1.955 3.285 . 0 0 "[ . 1 . 2]" 1
300 1 10 LEU QD 1 93 ALA MB 3.200 . 4.000 2.055 1.779 2.429 0.021 5 0 "[ . 1 . 2]" 1
301 1 10 LEU QD 1 93 ALA HA 3.200 . 4.000 3.250 2.354 3.804 . 0 0 "[ . 1 . 2]" 1
302 1 93 ALA MB 1 114 LEU QD 3.200 . 4.000 2.409 1.831 2.844 . 0 0 "[ . 1 . 2]" 1
303 1 93 ALA HA 1 114 LEU QD 3.200 . 5.000 4.542 3.961 5.019 0.019 4 0 "[ . 1 . 2]" 1
304 1 90 VAL QG 1 93 ALA MB 3.200 . 5.000 2.890 2.290 3.385 . 0 0 "[ . 1 . 2]" 1
305 1 94 ILE HA 1 114 LEU QD 3.200 . 5.000 3.048 2.411 3.680 . 0 0 "[ . 1 . 2]" 1
306 1 94 ILE HB 1 114 LEU QD 3.200 . 5.000 4.486 3.409 5.025 0.025 13 0 "[ . 1 . 2]" 1
307 1 94 ILE MG 1 114 LEU QD 3.200 . 5.000 3.760 2.178 4.567 . 0 0 "[ . 1 . 2]" 1
308 1 94 ILE MG 1 98 GLU QG 3.200 . 5.000 4.365 3.195 5.045 0.045 1 0 "[ . 1 . 2]" 1
309 1 91 GLU QB 1 95 LYS QB 3.200 . 5.000 4.946 4.448 5.065 0.065 12 0 "[ . 1 . 2]" 1
310 1 48 PHE QB 1 96 ALA MB 3.200 . 5.000 3.243 2.232 4.245 . 0 0 "[ . 1 . 2]" 1
311 1 10 LEU QD 1 96 ALA MB 3.200 . 4.000 3.484 2.878 3.857 . 0 0 "[ . 1 . 2]" 1
312 1 48 PHE QE 1 96 ALA MB 3.200 . 5.000 2.411 1.963 2.817 . 0 0 "[ . 1 . 2]" 1
313 1 48 PHE QD 1 96 ALA MB 3.200 . 5.000 2.589 2.038 3.050 . 0 0 "[ . 1 . 2]" 1
314 1 48 PHE HZ 1 96 ALA MB 3.200 . 5.000 2.838 2.224 3.672 . 0 0 "[ . 1 . 2]" 1
315 1 96 ALA MB 1 112 ALA MB 3.200 . 5.000 4.403 3.799 4.942 . 0 0 "[ . 1 . 2]" 1
316 1 96 ALA MB 1 99 PHE QE 3.200 . 5.000 4.690 2.461 5.018 0.018 11 0 "[ . 1 . 2]" 1
317 1 96 ALA MB 1 99 PHE QD 3.200 . 5.000 3.613 3.215 3.831 . 0 0 "[ . 1 . 2]" 1
318 1 10 LEU QD 1 97 HIS HA 3.200 . 5.000 3.133 2.667 4.046 . 0 0 "[ . 1 . 2]" 1
319 1 97 HIS HA 1 114 LEU QD 3.200 . 5.000 4.771 4.100 5.007 0.007 4 0 "[ . 1 . 2]" 1
320 1 97 HIS QB 1 114 LEU QD 3.200 . 5.000 2.817 2.380 3.356 . 0 0 "[ . 1 . 2]" 1
321 1 97 HIS HA 1 112 ALA MB 3.200 . 4.000 2.743 2.138 3.304 . 0 0 "[ . 1 . 2]" 1
322 1 44 LEU QD 1 99 PHE HZ 3.200 . 5.000 2.984 2.139 4.231 . 0 0 "[ . 1 . 2]" 1
323 1 45 PHE HZ 1 100 MET ME 3.200 . 5.000 2.894 2.320 3.491 . 0 0 "[ . 1 . 2]" 1
324 1 45 PHE QE 1 100 MET ME 3.200 . 5.000 3.543 2.691 4.172 . 0 0 "[ . 1 . 2]" 1
325 1 100 MET ME 1 110 MET ME 3.200 . 4.000 2.131 1.784 2.631 0.016 11 0 "[ . 1 . 2]" 1
326 1 12 VAL HB 1 100 MET ME 3.200 . 4.000 3.804 2.976 4.129 0.129 17 0 "[ . 1 . 2]" 1
327 1 12 VAL QG 1 100 MET ME 2.500 . 3.000 2.229 1.734 3.111 0.111 12 0 "[ . 1 . 2]" 1
328 1 100 MET ME 1 112 ALA MB 3.200 . 4.000 1.949 1.783 2.318 0.017 9 0 "[ . 1 . 2]" 1
329 1 41 LEU QD 1 100 MET ME 3.200 . 5.000 3.797 3.041 4.355 . 0 0 "[ . 1 . 2]" 1
330 1 100 MET HA 1 104 SER QB 3.200 . 4.000 3.987 3.881 4.054 0.054 12 0 "[ . 1 . 2]" 1
331 1 100 MET ME 1 111 LYS QB 3.200 . 4.000 3.970 3.710 4.050 0.050 12 0 "[ . 1 . 2]" 1
332 1 102 THR MG 1 105 GLN QB 3.200 . 5.000 4.097 3.113 4.985 . 0 0 "[ . 1 . 2]" 1
333 1 98 GLU QB 1 102 THR HB 3.200 . 5.000 4.482 3.770 5.020 0.020 13 0 "[ . 1 . 2]" 1
334 1 99 PHE QD 1 103 GLU QB 3.200 . 5.000 4.132 3.316 4.413 . 0 0 "[ . 1 . 2]" 1
335 1 104 SER HA 1 110 MET QB 3.200 . 5.000 5.082 5.030 5.136 0.136 17 0 "[ . 1 . 2]" 1
336 1 17 LEU QD 1 108 GLU QB 3.200 . 5.000 2.743 2.008 4.124 . 0 0 "[ . 1 . 2]" 1
337 1 77 VAL QG 1 108 GLU HA 3.200 . 5.000 2.690 2.027 3.429 . 0 0 "[ . 1 . 2]" 1
338 1 14 ASP QB 1 109 ASN HA 3.200 . 4.000 3.059 1.884 3.925 . 0 0 "[ . 1 . 2]" 1
339 1 77 VAL QG 1 109 ASN HA 3.200 . 4.000 4.007 3.671 4.081 0.081 8 0 "[ . 1 . 2]" 1
340 1 45 PHE HZ 1 110 MET ME 3.200 . 5.000 2.707 1.876 3.860 . 0 0 "[ . 1 . 2]" 1
341 1 45 PHE QE 1 110 MET ME 3.200 . 5.000 2.400 1.830 3.999 . 0 0 "[ . 1 . 2]" 1
342 1 15 LEU QD 1 110 MET QG 3.200 . 5.000 3.105 2.032 4.279 . 0 0 "[ . 1 . 2]" 1
343 1 15 LEU QD 1 110 MET HA 3.200 . 5.000 3.517 2.344 4.268 . 0 0 "[ . 1 . 2]" 1
344 1 14 ASP QB 1 110 MET HA 3.200 . 5.000 3.507 3.120 3.945 . 0 0 "[ . 1 . 2]" 1
345 1 15 LEU QD 1 110 MET ME 3.200 . 4.000 3.158 1.965 4.021 0.021 7 0 "[ . 1 . 2]" 1
346 1 15 LEU QD 1 110 MET QB 3.200 . 4.000 3.814 2.748 4.126 0.126 2 0 "[ . 1 . 2]" 1
347 1 12 VAL QG 1 110 MET ME 2.500 . 3.000 2.436 1.832 3.002 0.002 8 0 "[ . 1 . 2]" 1
348 1 37 VAL QG 1 110 MET ME 3.200 . 5.000 4.085 2.501 5.000 0.000 5 0 "[ . 1 . 2]" 1
349 1 41 LEU QD 1 110 MET ME 2.500 . 3.000 1.875 1.768 2.311 0.032 7 0 "[ . 1 . 2]" 1
350 1 15 LEU HG 1 110 MET ME 3.200 . 5.000 3.716 2.525 5.011 0.011 3 0 "[ . 1 . 2]" 1
351 1 83 ALA MB 1 110 MET ME 3.200 . 5.000 4.672 4.077 5.022 0.022 2 0 "[ . 1 . 2]" 1
352 1 100 MET ME 1 111 LYS HA 3.200 . 5.000 2.742 2.148 3.130 . 0 0 "[ . 1 . 2]" 1
353 1 13 TYR QE 1 111 LYS QD 3.200 . 5.000 3.222 1.906 5.043 0.043 17 0 "[ . 1 . 2]" 1
354 1 77 VAL QG 1 111 LYS QD 3.200 . 5.000 2.960 1.867 4.517 . 0 0 "[ . 1 . 2]" 1
355 1 12 VAL QG 1 112 ALA HA 3.200 . 5.000 3.475 2.817 4.285 . 0 0 "[ . 1 . 2]" 1
356 1 12 VAL QG 1 112 ALA MB 3.200 . 4.000 2.912 1.920 3.874 . 0 0 "[ . 1 . 2]" 1
357 1 10 LEU QD 1 112 ALA MB 3.200 . 5.000 1.872 1.763 2.199 0.037 18 0 "[ . 1 . 2]" 1
358 1 112 ALA MB 1 114 LEU QD 3.200 . 5.000 4.440 3.815 4.867 . 0 0 "[ . 1 . 2]" 1
359 1 13 TYR QD 1 112 ALA MB 3.200 . 5.000 4.238 3.676 4.661 . 0 0 "[ . 1 . 2]" 1
360 1 13 TYR QE 1 112 ALA MB 3.200 . 5.000 4.185 3.553 5.025 0.025 15 0 "[ . 1 . 2]" 1
361 1 100 MET QB 1 112 ALA MB 3.200 . 5.000 2.652 1.867 3.826 . 0 0 "[ . 1 . 2]" 1
362 1 100 MET ME 1 112 ALA HA 3.200 . 5.000 3.183 2.783 3.758 . 0 0 "[ . 1 . 2]" 1
363 1 110 MET ME 1 112 ALA MB 3.200 . 4.000 4.450 3.649 5.029 1.029 15 10 "[** .* * 1 +**-**]" 1
364 1 11 LEU QD 1 113 VAL HB 3.200 . 5.000 3.398 1.981 4.328 . 0 0 "[ . 1 . 2]" 1
365 1 11 LEU QD 1 113 VAL QG 3.200 . 4.000 1.946 1.756 2.475 0.044 10 0 "[ . 1 . 2]" 1
366 1 90 VAL QG 1 114 LEU QD 3.200 . 5.000 2.155 1.778 3.231 0.022 17 0 "[ . 1 . 2]" 1
367 1 9 MET QG 1 115 ILE MG 3.200 . 5.000 2.970 1.777 5.018 0.023 17 0 "[ . 1 . 2]" 1
368 1 9 MET QG 1 115 ILE MD 3.200 . 5.000 4.023 2.627 5.009 0.009 5 0 "[ . 1 . 2]" 1
369 1 11 LEU QD 1 115 ILE MG 3.200 . 4.000 2.648 1.784 4.034 0.034 15 0 "[ . 1 . 2]" 1
370 1 11 LEU QD 1 115 ILE MD 3.200 . 4.000 2.924 1.772 3.793 0.028 5 0 "[ . 1 . 2]" 1
371 1 113 VAL QG 1 115 ILE MG 3.200 . 5.000 3.885 2.140 4.868 . 0 0 "[ . 1 . 2]" 1
372 1 113 VAL QG 1 115 ILE MD 3.200 . 5.000 4.039 1.800 5.051 0.051 14 0 "[ . 1 . 2]" 1
373 1 84 ILE MD 1 115 ILE MG 3.200 . 5.000 4.552 3.583 5.038 0.038 5 0 "[ . 1 . 2]" 1
374 1 84 ILE MD 1 115 ILE MD 3.200 . 5.000 4.770 4.067 5.014 0.014 13 0 "[ . 1 . 2]" 1
375 1 7 SER H 1 8 LYS QB 3.200 . 4.000 4.207 3.856 5.016 1.016 7 3 "[ * .-+ 1 . 2]" 1
376 1 7 SER H 1 8 LYS QD 3.200 . 4.000 3.344 2.767 4.039 0.039 7 0 "[ . 1 . 2]" 1
377 1 6 PRO HA 1 7 SER H 3.200 . 4.000 3.564 3.535 3.581 . 0 0 "[ . 1 . 2]" 1
378 1 5 LEU QD 1 8 LYS H 3.200 . 4.000 4.233 2.907 5.013 1.013 8 7 "[ .**+ 1 * -* *]" 1
379 1 7 SER H 1 8 LYS H 3.200 . 5.000 4.274 4.164 4.393 . 0 0 "[ . 1 . 2]" 1
380 1 7 SER HA 1 8 LYS H 3.200 . 5.000 2.258 2.195 2.292 . 0 0 "[ . 1 . 2]" 1
381 1 7 SER HB2 1 8 LYS H 3.200 . 5.000 3.685 3.434 3.934 . 0 0 "[ . 1 . 2]" 1
382 1 7 SER HB3 1 8 LYS H 3.200 . 5.000 2.924 2.745 3.266 . 0 0 "[ . 1 . 2]" 1
383 1 8 LYS H 1 9 MET H 3.200 . 5.000 2.968 2.810 3.146 . 0 0 "[ . 1 . 2]" 1
384 1 8 LYS HA 1 9 MET H 2.500 . 3.000 2.371 2.315 2.420 . 0 0 "[ . 1 . 2]" 1
385 1 7 SER HA 1 9 MET H 3.200 . 5.000 5.020 4.945 5.057 0.057 11 0 "[ . 1 . 2]" 1
386 1 7 SER HB2 1 9 MET H 3.200 . 5.000 4.936 4.639 5.001 0.001 19 0 "[ . 1 . 2]" 1
387 1 7 SER HB3 1 9 MET H 3.200 . 5.000 4.390 3.774 5.001 0.001 10 0 "[ . 1 . 2]" 1
388 1 9 MET HA 1 10 LEU H 2.500 . 3.000 2.300 2.151 2.366 . 0 0 "[ . 1 . 2]" 1
389 1 9 MET QB 1 10 LEU H 3.200 . 5.000 2.761 2.547 3.396 . 0 0 "[ . 1 . 2]" 1
390 1 9 MET QG 1 10 LEU H 3.200 . 5.000 3.867 1.953 4.595 . 0 0 "[ . 1 . 2]" 1
391 1 10 LEU HA 1 11 LEU H 2.500 . 3.000 2.198 2.111 2.258 . 0 0 "[ . 1 . 2]" 1
392 1 10 LEU QB 1 11 LEU H 3.200 . 5.000 3.586 2.886 3.788 . 0 0 "[ . 1 . 2]" 1
393 1 11 LEU HA 1 12 VAL H 2.500 . 3.000 2.288 2.229 2.337 . 0 0 "[ . 1 . 2]" 1
394 1 11 LEU QB 1 12 VAL H 3.200 . 5.000 2.988 2.773 3.595 . 0 0 "[ . 1 . 2]" 1
395 1 11 LEU QD 1 12 VAL H 3.200 . 5.000 3.364 2.601 4.109 . 0 0 "[ . 1 . 2]" 1
396 1 11 LEU HG 1 12 VAL H 3.200 . 5.000 4.030 2.245 4.745 . 0 0 "[ . 1 . 2]" 1
397 1 12 VAL QG 1 13 TYR H 3.200 . 5.000 2.251 1.783 2.918 0.017 3 0 "[ . 1 . 2]" 1
398 1 12 VAL HA 1 13 TYR H 2.500 . 3.000 2.208 1.882 2.358 . 0 0 "[ . 1 . 2]" 1
399 1 12 VAL HB 1 13 TYR H 3.200 . 5.000 2.674 1.778 3.910 0.022 12 0 "[ . 1 . 2]" 1
400 1 13 TYR HA 1 14 ASP H 2.500 . 3.000 2.245 2.038 2.563 . 0 0 "[ . 1 . 2]" 1
401 1 14 ASP HA 1 15 LEU H 2.500 . 3.000 2.579 2.319 2.867 . 0 0 "[ . 1 . 2]" 1
402 1 14 ASP H 1 15 LEU H 3.200 . 4.000 3.384 2.712 4.110 0.110 4 0 "[ . 1 . 2]" 1
403 1 15 LEU H 1 16 TYR H 2.500 . 3.000 2.132 1.950 2.669 . 0 0 "[ . 1 . 2]" 1
404 1 15 LEU HA 1 16 TYR H 3.200 . 5.000 3.447 3.348 3.518 . 0 0 "[ . 1 . 2]" 1
405 1 14 ASP HA 1 16 TYR H 3.200 . 4.000 3.342 2.997 3.915 . 0 0 "[ . 1 . 2]" 1
406 1 15 LEU QB 1 16 TYR H 3.200 . 5.000 3.401 2.730 3.721 . 0 0 "[ . 1 . 2]" 1
407 1 15 LEU HG 1 16 TYR H 3.200 . 5.000 4.406 3.168 5.040 0.040 10 0 "[ . 1 . 2]" 1
408 1 15 LEU QD 1 16 TYR H 3.200 . 5.000 2.053 1.765 2.847 0.035 20 0 "[ . 1 . 2]" 1
409 1 16 TYR H 1 17 LEU H 2.500 . 3.000 2.577 2.440 2.827 . 0 0 "[ . 1 . 2]" 1
410 1 15 LEU H 1 17 LEU H 3.200 . 5.000 3.930 3.592 4.284 . 0 0 "[ . 1 . 2]" 1
411 1 14 ASP HA 1 17 LEU H 3.200 . 4.000 3.746 3.310 4.038 0.038 20 0 "[ . 1 . 2]" 1
412 1 16 TYR H 1 18 SER H 3.200 . 5.000 4.413 4.115 4.652 . 0 0 "[ . 1 . 2]" 1
413 1 15 LEU HA 1 18 SER H 3.200 . 5.000 4.498 4.154 5.004 0.004 11 0 "[ . 1 . 2]" 1
414 1 16 TYR HA 1 18 SER H 3.200 . 4.000 3.385 3.166 3.637 . 0 0 "[ . 1 . 2]" 1
415 1 17 LEU H 1 18 SER H 3.200 . 5.000 2.793 2.610 2.964 . 0 0 "[ . 1 . 2]" 1
416 1 17 LEU QB 1 18 SER H 3.200 . 5.000 3.614 3.561 3.675 . 0 0 "[ . 1 . 2]" 1
417 1 18 SER H 1 21 LEU QD 3.200 . 4.000 3.656 2.915 4.018 0.018 2 0 "[ . 1 . 2]" 1
418 1 18 SER H 1 21 LEU H 3.200 . 4.000 4.069 4.033 4.117 0.117 10 0 "[ . 1 . 2]" 1
419 1 18 SER QB 1 21 LEU H 3.200 . 5.000 2.476 2.250 2.726 . 0 0 "[ . 1 . 2]" 1
420 1 21 LEU H 1 22 TRP H 2.500 . 3.000 2.596 2.509 2.702 . 0 0 "[ . 1 . 2]" 1
421 1 21 LEU HA 1 22 TRP H 3.200 . 5.000 3.568 3.540 3.582 . 0 0 "[ . 1 . 2]" 1
422 1 21 LEU HG 1 22 TRP H 3.200 . 5.000 4.638 4.182 4.991 . 0 0 "[ . 1 . 2]" 1
423 1 21 LEU QB 1 22 TRP H 3.200 . 5.000 2.390 2.163 2.585 . 0 0 "[ . 1 . 2]" 1
424 1 18 SER QB 1 22 TRP H 3.200 . 5.000 3.960 3.537 4.447 . 0 0 "[ . 1 . 2]" 1
425 1 21 LEU QD 1 22 TRP H 3.200 . 5.000 3.334 2.342 4.012 . 0 0 "[ . 1 . 2]" 1
426 1 22 TRP H 1 23 ALA H 3.200 . 5.000 2.379 2.172 2.515 . 0 0 "[ . 1 . 2]" 1
427 1 22 TRP HA 1 23 ALA H 3.200 . 5.000 3.535 3.511 3.548 . 0 0 "[ . 1 . 2]" 1
428 1 21 LEU HA 1 23 ALA H 3.200 . 5.000 5.064 5.041 5.097 0.097 3 0 "[ . 1 . 2]" 1
429 1 22 TRP QB 1 23 ALA H 3.200 . 5.000 3.312 2.983 3.467 . 0 0 "[ . 1 . 2]" 1
430 1 20 LYS HA 1 24 LEU H 3.200 . 4.000 3.556 3.069 4.011 0.011 16 0 "[ . 1 . 2]" 1
431 1 23 ALA HA 1 24 LEU H 3.200 . 5.000 3.462 3.347 3.549 . 0 0 "[ . 1 . 2]" 1
432 1 23 ALA H 1 24 LEU H 3.200 . 5.000 2.559 2.468 2.637 . 0 0 "[ . 1 . 2]" 1
433 1 21 LEU HA 1 24 LEU H 3.200 . 5.000 4.497 4.286 4.794 . 0 0 "[ . 1 . 2]" 1
434 1 23 ALA MB 1 24 LEU H 3.200 . 5.000 2.940 2.632 3.272 . 0 0 "[ . 1 . 2]" 1
435 1 24 LEU H 1 25 ALA H 3.200 . 5.000 2.328 2.024 2.664 . 0 0 "[ . 1 . 2]" 1
436 1 24 LEU QB 1 25 ALA H 3.200 . 5.000 2.703 2.420 3.587 . 0 0 "[ . 1 . 2]" 1
437 1 24 LEU QD 1 25 ALA H 3.200 . 5.000 3.761 2.630 4.275 . 0 0 "[ . 1 . 2]" 1
438 1 24 LEU QD 1 26 THR H 3.200 . 5.000 4.757 3.965 5.022 0.022 6 0 "[ . 1 . 2]" 1
439 1 25 ALA MB 1 26 THR H 3.200 . 5.000 3.023 1.971 3.565 . 0 0 "[ . 1 . 2]" 1
440 1 33 VAL H 1 34 GLN H 3.200 . 5.000 2.934 2.913 2.961 . 0 0 "[ . 1 . 2]" 1
441 1 33 VAL QG 1 34 GLN H 3.200 . 5.000 2.975 1.967 3.444 . 0 0 "[ . 1 . 2]" 1
442 1 34 GLN H 1 35 GLU H 3.200 . 5.000 2.803 2.750 2.855 . 0 0 "[ . 1 . 2]" 1
443 1 34 GLN HA 1 35 GLU H 3.200 . 5.000 3.577 3.567 3.597 . 0 0 "[ . 1 . 2]" 1
444 1 34 GLN QB 1 35 GLU H 3.200 . 5.000 2.763 2.439 3.357 . 0 0 "[ . 1 . 2]" 1
445 1 33 VAL HA 1 36 LYS H 3.200 . 5.000 3.455 3.151 3.685 . 0 0 "[ . 1 . 2]" 1
446 1 35 GLU H 1 36 LYS H 2.500 . 3.000 2.551 2.486 2.649 . 0 0 "[ . 1 . 2]" 1
447 1 36 LYS H 1 37 VAL H 2.500 . 3.000 2.828 2.668 2.967 . 0 0 "[ . 1 . 2]" 1
448 1 33 VAL HA 1 37 VAL H 3.200 . 5.000 3.673 3.434 4.127 . 0 0 "[ . 1 . 2]" 1
449 1 34 GLN HA 1 37 VAL H 3.200 . 5.000 4.111 3.923 4.395 . 0 0 "[ . 1 . 2]" 1
450 1 37 VAL H 1 38 MET H 2.500 . 3.000 2.612 2.496 2.795 . 0 0 "[ . 1 . 2]" 1
451 1 34 GLN HG3 1 38 MET H 3.200 . 5.000 2.859 1.840 3.888 . 0 0 "[ . 1 . 2]" 1
452 1 34 GLN HA 1 38 MET H 3.200 . 5.000 4.095 3.839 4.759 . 0 0 "[ . 1 . 2]" 1
453 1 38 MET H 1 39 GLU H 2.500 . 3.000 2.794 2.621 2.974 . 0 0 "[ . 1 . 2]" 1
454 1 39 GLU H 1 40 HIS H 2.500 . 3.000 2.760 2.715 2.831 . 0 0 "[ . 1 . 2]" 1
455 1 37 VAL HA 1 40 HIS H 3.200 . 4.000 3.789 3.482 4.015 0.015 16 0 "[ . 1 . 2]" 1
456 1 40 HIS H 1 41 LEU H 3.200 . 5.000 2.759 2.654 2.843 . 0 0 "[ . 1 . 2]" 1
457 1 40 HIS HA 1 41 LEU H 3.200 . 5.000 3.524 3.502 3.559 . 0 0 "[ . 1 . 2]" 1
458 1 37 VAL HA 1 41 LEU H 3.200 . 5.000 3.864 3.645 4.172 . 0 0 "[ . 1 . 2]" 1
459 1 40 HIS QB 1 41 LEU H 3.200 . 5.000 2.698 2.479 2.850 . 0 0 "[ . 1 . 2]" 1
460 1 38 MET HA 1 42 LEU H 3.200 . 5.000 4.465 4.029 4.673 . 0 0 "[ . 1 . 2]" 1
461 1 42 LEU H 1 43 LYS H . . 3.000 2.931 2.735 3.005 0.005 5 0 "[ . 1 . 2]" 1
462 1 41 LEU QB 1 42 LEU H 3.200 . 5.000 2.822 2.703 2.896 . 0 0 "[ . 1 . 2]" 1
463 1 39 GLU HA 1 43 LYS H 3.200 . 5.000 4.964 4.766 5.022 0.022 18 0 "[ . 1 . 2]" 1
464 1 43 LYS H 1 44 LEU H 2.500 . 3.000 2.716 2.600 2.877 . 0 0 "[ . 1 . 2]" 1
465 1 40 HIS HA 1 44 LEU H 3.200 . 5.000 4.650 4.373 4.833 . 0 0 "[ . 1 . 2]" 1
466 1 42 LEU HA 1 46 GLY H 3.200 . 5.000 3.870 3.229 4.741 . 0 0 "[ . 1 . 2]" 1
467 1 43 LYS HA 1 47 THR H 3.200 . 4.000 4.010 3.751 4.065 0.065 15 0 "[ . 1 . 2]" 1
468 1 46 GLY H 1 47 THR H 2.500 . 3.000 2.515 2.050 2.774 . 0 0 "[ . 1 . 2]" 1
469 1 46 GLY QA 1 47 THR H 3.200 . 5.000 2.803 2.644 2.895 . 0 0 "[ . 1 . 2]" 1
470 1 47 THR H 1 48 PHE H 2.500 . 3.000 2.725 2.488 2.825 . 0 0 "[ . 1 . 2]" 1
471 1 46 GLY H 1 48 PHE H 3.200 . 5.000 4.384 3.455 4.752 . 0 0 "[ . 1 . 2]" 1
472 1 44 LEU HA 1 48 PHE H 3.200 . 5.000 4.898 4.408 5.048 0.048 6 0 "[ . 1 . 2]" 1
473 1 48 PHE H 1 49 GLY H 2.500 . 3.000 2.273 2.146 2.389 . 0 0 "[ . 1 . 2]" 1
474 1 48 PHE QB 1 49 GLY H 3.200 . 5.000 3.741 3.585 3.878 . 0 0 "[ . 1 . 2]" 1
475 1 48 PHE QD 1 49 GLY H 3.200 . 5.000 2.819 2.426 3.166 . 0 0 "[ . 1 . 2]" 1
476 1 48 PHE QE 1 49 GLY H 3.200 . 5.000 4.135 3.835 4.398 . 0 0 "[ . 1 . 2]" 1
477 1 49 GLY H 1 50 VAL H 3.100 . 4.900 3.829 3.327 4.467 . 0 0 "[ . 1 . 2]" 1
478 1 49 GLY QA 1 50 VAL H 3.200 . 5.000 2.171 2.102 2.373 . 0 0 "[ . 1 . 2]" 1
479 1 50 VAL H 1 51 ILE H 3.200 . 5.000 4.567 4.182 4.659 . 0 0 "[ . 1 . 2]" 1
480 1 50 VAL HA 1 51 ILE H 2.500 . 3.000 2.244 2.169 2.387 . 0 0 "[ . 1 . 2]" 1
481 1 50 VAL HB 1 51 ILE H 3.200 . 5.000 3.629 2.792 4.297 . 0 0 "[ . 1 . 2]" 1
482 1 50 VAL QG 1 51 ILE H 3.200 . 5.000 2.563 1.881 3.614 . 0 0 "[ . 1 . 2]" 1
483 1 51 ILE HA 1 52 SER H 3.200 . 5.000 2.149 2.110 2.197 . 0 0 "[ . 1 . 2]" 1
484 1 51 ILE HB 1 52 SER H 3.200 . 5.000 3.708 3.589 3.813 . 0 0 "[ . 1 . 2]" 1
485 1 51 ILE MG 1 52 SER H 3.200 . 5.000 2.567 2.413 2.808 . 0 0 "[ . 1 . 2]" 1
486 1 51 ILE MD 1 52 SER H 3.200 . 5.000 5.027 4.900 5.082 0.082 8 0 "[ . 1 . 2]" 1
487 1 52 SER H 1 53 SER H 2.500 . 3.000 2.345 2.302 2.386 . 0 0 "[ . 1 . 2]" 1
488 1 51 ILE HB 1 53 SER H 3.200 . 4.000 3.540 3.239 3.813 . 0 0 "[ . 1 . 2]" 1
489 1 51 ILE MG 1 53 SER H 3.200 . 4.000 2.179 1.925 2.474 . 0 0 "[ . 1 . 2]" 1
490 1 51 ILE MD 1 53 SER H 3.200 . 5.000 4.927 4.779 5.025 0.025 3 0 "[ . 1 . 2]" 1
491 1 53 SER HA 1 54 VAL H 3.200 . 5.000 2.226 2.213 2.243 . 0 0 "[ . 1 . 2]" 1
492 1 53 SER H 1 54 VAL H 3.200 . 5.000 4.182 4.149 4.236 . 0 0 "[ . 1 . 2]" 1
493 1 53 SER QB 1 54 VAL H 3.200 . 5.000 3.240 2.845 3.563 . 0 0 "[ . 1 . 2]" 1
494 1 54 VAL HA 1 55 ARG H 2.500 . 3.000 2.128 2.112 2.144 . 0 0 "[ . 1 . 2]" 1
495 1 54 VAL QG 1 55 ARG H 3.200 . 5.000 2.956 2.768 3.635 . 0 0 "[ . 1 . 2]" 1
496 1 55 ARG H 1 56 ILE H 3.200 . 5.000 4.197 4.156 4.237 . 0 0 "[ . 1 . 2]" 1
497 1 55 ARG HA 1 56 ILE H 2.500 . 3.000 2.147 2.119 2.177 . 0 0 "[ . 1 . 2]" 1
498 1 55 ARG QB 1 56 ILE H 3.200 . 5.000 3.634 3.476 3.916 . 0 0 "[ . 1 . 2]" 1
499 1 55 ARG QG 1 56 ILE H 3.200 . 5.000 4.037 3.214 4.572 . 0 0 "[ . 1 . 2]" 1
500 1 56 ILE HA 1 57 LEU H 2.500 . 3.000 2.106 2.082 2.151 . 0 0 "[ . 1 . 2]" 1
501 1 57 LEU HA 1 58 LYS H 2.500 . 3.000 2.147 2.116 2.177 . 0 0 "[ . 1 . 2]" 1
502 1 57 LEU H 1 58 LYS H 3.200 . 5.000 4.167 4.078 4.337 . 0 0 "[ . 1 . 2]" 1
503 1 57 LEU HG 1 58 LYS H 3.200 . 5.000 4.726 4.591 5.059 0.059 16 0 "[ . 1 . 2]" 1
504 1 57 LEU QB 1 58 LYS H 3.200 . 5.000 3.420 3.043 3.502 . 0 0 "[ . 1 . 2]" 1
505 1 57 LEU QD 1 58 LYS H 3.200 . 5.000 4.047 2.871 4.279 . 0 0 "[ . 1 . 2]" 1
506 1 58 LYS H 1 61 ARG QG 3.200 . 5.000 4.617 4.122 5.015 0.015 13 0 "[ . 1 . 2]" 1
507 1 58 LYS H 1 61 ARG QD 3.200 . 5.000 4.045 2.148 5.003 0.003 1 0 "[ . 1 . 2]" 1
508 1 58 LYS H 1 61 ARG QB 3.200 . 4.000 3.552 3.016 3.850 . 0 0 "[ . 1 . 2]" 1
509 1 60 GLY H 1 61 ARG H 3.200 . 4.000 2.836 2.736 2.911 . 0 0 "[ . 1 . 2]" 1
510 1 60 GLY QA 1 61 ARG H 3.200 . 5.000 2.867 2.826 2.920 . 0 0 "[ . 1 . 2]" 1
511 1 57 LEU QD 1 61 ARG H 3.200 . 5.000 4.986 4.784 5.028 0.028 10 0 "[ . 1 . 2]" 1
512 1 61 ARG H 1 63 LEU QD 3.200 . 4.000 3.481 2.146 4.014 0.014 7 0 "[ . 1 . 2]" 1
513 1 61 ARG H 1 63 LEU HG 3.200 . 4.000 3.919 3.595 4.011 0.011 10 0 "[ . 1 . 2]" 1
514 1 61 ARG QD 1 62 GLU H 3.200 . 5.000 3.724 2.524 4.731 . 0 0 "[ . 1 . 2]" 1
515 1 61 ARG QB 1 62 GLU H 3.200 . 5.000 1.868 1.785 1.966 0.015 12 0 "[ . 1 . 2]" 1
516 1 61 ARG H 1 63 LEU H 3.200 . 5.000 4.942 4.778 5.030 0.030 13 0 "[ . 1 . 2]" 1
517 1 62 GLU HA 1 63 LEU H 3.200 . 4.000 2.188 2.142 2.241 . 0 0 "[ . 1 . 2]" 1
518 1 62 GLU QG 1 63 LEU H 3.200 . 5.000 4.054 3.202 4.535 . 0 0 "[ . 1 . 2]" 1
519 1 62 GLU QB 1 63 LEU H 3.200 . 5.000 3.640 3.399 3.956 . 0 0 "[ . 1 . 2]" 1
520 1 66 ASP H 1 67 ILE H 2.500 . 3.000 2.740 2.568 2.846 . 0 0 "[ . 1 . 2]" 1
521 1 66 ASP QB 1 67 ILE H 3.200 . 5.000 2.688 2.413 3.508 . 0 0 "[ . 1 . 2]" 1
522 1 67 ILE H 1 68 ARG QD 3.200 . 5.000 4.965 4.748 5.060 0.060 3 0 "[ . 1 . 2]" 1
523 1 67 ILE H 1 68 ARG HA 3.200 . 5.000 4.822 4.669 5.001 0.001 18 0 "[ . 1 . 2]" 1
524 1 67 ILE H 1 68 ARG H 2.500 . 3.000 2.194 2.058 2.372 . 0 0 "[ . 1 . 2]" 1
525 1 67 ILE HA 1 68 ARG H 3.200 . 5.000 3.498 3.418 3.561 . 0 0 "[ . 1 . 2]" 1
526 1 67 ILE MG 1 68 ARG H 3.200 . 5.000 4.240 3.663 4.386 . 0 0 "[ . 1 . 2]" 1
527 1 67 ILE MD 1 68 ARG H 3.200 . 5.000 3.607 1.910 5.024 0.024 3 0 "[ . 1 . 2]" 1
528 1 67 ILE QG 1 68 ARG H 3.200 . 5.000 2.561 2.178 3.900 . 0 0 "[ . 1 . 2]" 1
529 1 66 ASP HA 1 70 ILE H 3.200 . 5.000 4.551 4.123 4.908 . 0 0 "[ . 1 . 2]" 1
530 1 70 ILE H 1 71 SER HA 3.200 . 5.000 5.094 5.077 5.117 0.117 16 0 "[ . 1 . 2]" 1
531 1 70 ILE H 1 71 SER QB 3.200 . 5.000 4.294 4.200 4.615 . 0 0 "[ . 1 . 2]" 1
532 1 67 ILE HB 1 71 SER H 3.200 . 5.000 3.796 3.515 4.911 . 0 0 "[ . 1 . 2]" 1
533 1 70 ILE H 1 71 SER H 2.500 . 3.000 2.490 2.468 2.527 . 0 0 "[ . 1 . 2]" 1
534 1 70 ILE HA 1 71 SER H 3.200 . 5.000 3.561 3.547 3.574 . 0 0 "[ . 1 . 2]" 1
535 1 67 ILE HA 1 71 SER H 3.200 . 4.000 2.349 2.144 2.860 . 0 0 "[ . 1 . 2]" 1
536 1 70 ILE HB 1 71 SER H 3.200 . 5.000 3.589 3.257 3.711 . 0 0 "[ . 1 . 2]" 1
537 1 70 ILE QG 1 71 SER H 3.200 . 5.000 3.839 1.877 4.206 . 0 0 "[ . 1 . 2]" 1
538 1 67 ILE QG 1 71 SER H 3.200 . 5.000 4.948 4.375 5.073 0.073 18 0 "[ . 1 . 2]" 1
539 1 70 ILE MD 1 71 SER H 3.200 . 5.000 4.380 1.972 4.748 . 0 0 "[ . 1 . 2]" 1
540 1 70 ILE MG 1 71 SER H 3.200 . 5.000 2.054 1.799 4.002 0.001 7 0 "[ . 1 . 2]" 1
541 1 67 ILE MD 1 71 SER H 3.200 . 5.000 5.035 4.954 5.104 0.104 2 0 "[ . 1 . 2]" 1
542 1 67 ILE MG 1 71 SER H 3.200 . 5.000 3.396 3.023 4.242 . 0 0 "[ . 1 . 2]" 1
543 1 68 ARG QB 1 72 SER H 3.200 . 5.000 5.025 4.963 5.057 0.057 15 0 "[ . 1 . 2]" 1
544 1 68 ARG HA 1 72 SER H 3.200 . 4.000 3.540 3.361 3.712 . 0 0 "[ . 1 . 2]" 1
545 1 72 SER H 1 73 ARG H 3.200 . 4.000 2.631 2.532 2.723 . 0 0 "[ . 1 . 2]" 1
546 1 72 SER HA 1 73 ARG H 3.200 . 5.000 3.321 3.299 3.523 . 0 0 "[ . 1 . 2]" 1
547 1 70 ILE HA 1 73 ARG H 3.200 . 4.000 3.677 3.431 3.971 . 0 0 "[ . 1 . 2]" 1
548 1 72 SER QB 1 73 ARG H 3.200 . 4.000 3.356 2.639 3.472 . 0 0 "[ . 1 . 2]" 1
549 1 73 ARG QB 1 74 TYR H 3.200 . 5.000 2.862 2.619 3.585 . 0 0 "[ . 1 . 2]" 1
550 1 73 ARG QD 1 74 TYR H 3.200 . 5.000 4.794 4.203 5.025 0.025 6 0 "[ . 1 . 2]" 1
551 1 73 ARG H 1 74 TYR H 3.200 . 4.000 2.322 2.135 2.491 . 0 0 "[ . 1 . 2]" 1
552 1 70 ILE HA 1 74 TYR H 3.200 . 5.000 4.570 4.172 5.035 0.035 16 0 "[ . 1 . 2]" 1
553 1 71 SER HA 1 74 TYR H 3.200 . 4.000 3.724 3.293 3.953 . 0 0 "[ . 1 . 2]" 1
554 1 76 GLN H 1 77 VAL HB 3.200 . 5.000 4.544 4.054 5.058 0.058 16 0 "[ . 1 . 2]" 1
555 1 76 GLN H 1 79 THR H 3.200 . 5.000 4.511 4.094 4.876 . 0 0 "[ . 1 . 2]" 1
556 1 74 TYR QE 1 76 GLN H 3.200 . 5.000 5.018 4.626 5.085 0.085 13 0 "[ . 1 . 2]" 1
557 1 74 TYR QD 1 76 GLN H 3.200 . 4.000 3.805 3.320 4.017 0.017 10 0 "[ . 1 . 2]" 1
558 1 76 GLN H 1 77 VAL H 2.500 . 3.000 1.798 1.762 1.869 0.038 6 0 "[ . 1 . 2]" 1
559 1 77 VAL H 1 78 GLY H 2.500 . 3.000 2.865 2.517 3.024 0.024 10 0 "[ . 1 . 2]" 1
560 1 76 GLN HA 1 77 VAL H 3.200 . 5.000 3.490 3.471 3.512 . 0 0 "[ . 1 . 2]" 1
561 1 76 GLN QG 1 77 VAL H 3.200 . 5.000 4.081 2.118 4.676 . 0 0 "[ . 1 . 2]" 1
562 1 76 GLN QB 1 77 VAL H 3.200 . 5.000 3.086 2.855 3.618 . 0 0 "[ . 1 . 2]" 1
563 1 74 TYR QE 1 77 VAL H 3.200 . 5.000 4.714 4.333 5.044 0.044 7 0 "[ . 1 . 2]" 1
564 1 74 TYR QD 1 77 VAL H 3.200 . 5.000 4.037 3.262 4.535 . 0 0 "[ . 1 . 2]" 1
565 1 78 GLY H 1 79 THR H 2.500 . 3.000 2.983 2.863 3.143 0.143 20 0 "[ . 1 . 2]" 1
566 1 77 VAL HB 1 78 GLY H 3.200 . 5.000 3.982 3.734 4.207 . 0 0 "[ . 1 . 2]" 1
567 1 77 VAL QG 1 78 GLY H 3.200 . 5.000 3.657 3.376 3.766 . 0 0 "[ . 1 . 2]" 1
568 1 77 VAL QG 1 79 THR H 3.200 . 5.000 3.326 2.924 3.669 . 0 0 "[ . 1 . 2]" 1
569 1 77 VAL HB 1 79 THR H 3.200 . 4.000 2.839 2.505 3.138 . 0 0 "[ . 1 . 2]" 1
570 1 77 VAL HA 1 79 THR H 3.200 . 5.000 4.202 4.092 4.315 . 0 0 "[ . 1 . 2]" 1
571 1 78 GLY QA 1 79 THR H 2.500 . 3.000 2.922 2.835 3.007 0.007 20 0 "[ . 1 . 2]" 1
572 1 79 THR MG 1 80 GLN H 3.200 . 5.000 2.859 2.094 3.681 . 0 0 "[ . 1 . 2]" 1
573 1 79 THR HA 1 80 GLN H 2.500 . 3.000 2.421 2.209 2.554 . 0 0 "[ . 1 . 2]" 1
574 1 79 THR HB 1 80 GLN H 3.200 . 5.000 3.964 3.750 4.275 . 0 0 "[ . 1 . 2]" 1
575 1 80 GLN HA 1 81 GLU H 3.200 . 5.000 2.153 2.118 2.188 . 0 0 "[ . 1 . 2]" 1
576 1 81 GLU H 1 82 CYS H 3.200 . 5.000 4.208 3.963 4.377 . 0 0 "[ . 1 . 2]" 1
577 1 81 GLU HA 1 82 CYS H 2.500 . 3.000 2.237 2.178 2.309 . 0 0 "[ . 1 . 2]" 1
578 1 81 GLU QG 1 82 CYS H 3.200 . 5.000 3.685 2.377 4.764 . 0 0 "[ . 1 . 2]" 1
579 1 81 GLU QB 1 82 CYS H 3.200 . 5.000 3.400 2.988 3.725 . 0 0 "[ . 1 . 2]" 1
580 1 82 CYS HA 1 83 ALA H 2.500 . 3.000 2.218 2.147 2.377 . 0 0 "[ . 1 . 2]" 1
581 1 82 CYS QB 1 83 ALA H 3.200 . 5.000 2.733 2.239 3.456 . 0 0 "[ . 1 . 2]" 1
582 1 83 ALA H 1 84 ILE H 3.200 . 5.000 4.358 4.289 4.457 . 0 0 "[ . 1 . 2]" 1
583 1 83 ALA HA 1 84 ILE H 2.500 . 3.000 2.292 2.209 2.411 . 0 0 "[ . 1 . 2]" 1
584 1 83 ALA MB 1 84 ILE H 3.200 . 5.000 2.751 2.444 2.949 . 0 0 "[ . 1 . 2]" 1
585 1 84 ILE HA 1 85 VAL H 2.500 . 3.000 2.105 2.050 2.181 . 0 0 "[ . 1 . 2]" 1
586 1 85 VAL QG 1 86 GLU H 3.200 . 5.000 3.027 1.897 3.423 . 0 0 "[ . 1 . 2]" 1
587 1 85 VAL HA 1 86 GLU H 2.500 . 3.000 2.135 2.097 2.165 . 0 0 "[ . 1 . 2]" 1
588 1 86 GLU QG 1 87 PHE H 3.200 . 5.000 4.205 4.027 4.482 . 0 0 "[ . 1 . 2]" 1
589 1 86 GLU QB 1 87 PHE H 3.200 . 5.000 3.715 3.519 3.887 . 0 0 "[ . 1 . 2]" 1
590 1 86 GLU HA 1 87 PHE H 3.200 . 4.000 2.233 2.170 2.275 . 0 0 "[ . 1 . 2]" 1
591 1 87 PHE QB 1 88 GLU H 3.200 . 4.000 2.151 1.989 2.386 . 0 0 "[ . 1 . 2]" 1
592 1 87 PHE HA 1 88 GLU H 2.500 . 3.000 2.546 2.392 2.586 . 0 0 "[ . 1 . 2]" 1
593 1 87 PHE QB 1 89 GLU H 3.200 . 4.000 2.450 2.163 2.786 . 0 0 "[ . 1 . 2]" 1
594 1 88 GLU H 1 89 GLU H 3.200 . 4.000 2.620 2.438 2.849 . 0 0 "[ . 1 . 2]" 1
595 1 88 GLU HA 1 89 GLU H 3.200 . 4.000 3.494 3.433 3.556 . 0 0 "[ . 1 . 2]" 1
596 1 89 GLU H 1 92 ALA H 3.200 . 4.000 4.008 3.805 4.108 0.108 14 0 "[ . 1 . 2]" 1
597 1 89 GLU H 1 92 ALA MB 3.200 . 4.000 3.002 2.454 3.281 . 0 0 "[ . 1 . 2]" 1
598 1 89 GLU HA 1 90 VAL H 3.200 . 4.000 2.260 2.140 2.491 . 0 0 "[ . 1 . 2]" 1
599 1 89 GLU QG 1 90 VAL H 3.200 . 5.000 2.952 1.962 4.023 . 0 0 "[ . 1 . 2]" 1
600 1 89 GLU QB 1 90 VAL H 3.200 . 5.000 3.056 2.388 3.439 . 0 0 "[ . 1 . 2]" 1
601 1 90 VAL HB 1 91 GLU H 3.200 . 4.000 3.937 3.027 4.062 0.062 1 0 "[ . 1 . 2]" 1
602 1 89 GLU HG2 1 91 GLU H 3.200 . 5.000 2.332 2.050 3.033 . 0 0 "[ . 1 . 2]" 1
603 1 91 GLU H 1 92 ALA H 2.500 . 3.000 2.611 2.296 2.833 . 0 0 "[ . 1 . 2]" 1
604 1 91 GLU QG 1 92 ALA H 3.200 . 5.000 3.843 1.797 4.510 0.003 10 0 "[ . 1 . 2]" 1
605 1 91 GLU QB 1 92 ALA H 3.200 . 5.000 2.669 2.251 3.206 . 0 0 "[ . 1 . 2]" 1
606 1 92 ALA H 1 93 ALA H 2.500 . 3.200 2.756 2.377 2.927 . 0 0 "[ . 1 . 2]" 1
607 1 91 GLU H 1 93 ALA H 3.200 . 4.000 4.209 4.127 4.253 0.253 12 0 "[ . 1 . 2]" 1
608 1 92 ALA HA 1 93 ALA H 3.200 . 5.000 3.568 3.541 3.604 . 0 0 "[ . 1 . 2]" 1
609 1 90 VAL HA 1 93 ALA H 3.200 . 4.000 3.273 2.924 3.533 . 0 0 "[ . 1 . 2]" 1
610 1 93 ALA H 1 94 ILE H 2.500 . 3.000 2.857 2.650 3.058 0.058 1 0 "[ . 1 . 2]" 1
611 1 93 ALA HA 1 94 ILE H 3.200 . 5.000 3.543 3.470 3.591 . 0 0 "[ . 1 . 2]" 1
612 1 93 ALA MB 1 94 ILE H 3.200 . 5.000 2.697 2.498 2.923 . 0 0 "[ . 1 . 2]" 1
613 1 92 ALA H 1 94 ILE H 3.200 . 5.000 3.981 3.281 4.465 . 0 0 "[ . 1 . 2]" 1
614 1 94 ILE H 1 95 LYS H 2.500 . 3.000 2.763 2.647 2.899 . 0 0 "[ . 1 . 2]" 1
615 1 93 ALA H 1 95 LYS H 3.200 . 5.000 4.453 4.198 4.694 . 0 0 "[ . 1 . 2]" 1
616 1 94 ILE HA 1 95 LYS H 3.200 . 5.000 3.534 3.475 3.576 . 0 0 "[ . 1 . 2]" 1
617 1 91 GLU HA 1 95 LYS H 3.200 . 5.000 4.371 3.771 4.738 . 0 0 "[ . 1 . 2]" 1
618 1 94 ILE QG 1 95 LYS H 3.200 . 5.000 3.765 1.910 4.304 . 0 0 "[ . 1 . 2]" 1
619 1 94 ILE HB 1 95 LYS H 3.200 . 5.000 3.033 2.500 4.004 . 0 0 "[ . 1 . 2]" 1
620 1 94 ILE MG 1 95 LYS H 3.200 . 5.000 3.210 1.874 4.080 . 0 0 "[ . 1 . 2]" 1
621 1 94 ILE MD 1 95 LYS H 3.200 . 5.000 4.190 2.086 5.007 0.007 12 0 "[ . 1 . 2]" 1
622 1 95 LYS H 1 96 ALA H 2.500 . 3.000 2.578 2.371 2.775 . 0 0 "[ . 1 . 2]" 1
623 1 95 LYS HA 1 96 ALA H 3.200 . 5.000 3.521 3.453 3.552 . 0 0 "[ . 1 . 2]" 1
624 1 92 ALA HA 1 96 ALA H 3.200 . 5.000 4.637 4.074 4.950 . 0 0 "[ . 1 . 2]" 1
625 1 95 LYS QB 1 96 ALA H 3.200 . 5.000 2.729 2.499 3.538 . 0 0 "[ . 1 . 2]" 1
626 1 95 LYS QG 1 96 ALA H 3.200 . 5.000 4.199 2.116 4.734 . 0 0 "[ . 1 . 2]" 1
627 1 95 LYS QD 1 96 ALA H 3.200 . 5.000 4.745 4.215 5.028 0.028 19 0 "[ . 1 . 2]" 1
628 1 95 LYS QE 1 96 ALA H 3.200 . 5.000 4.772 3.901 5.011 0.011 3 0 "[ . 1 . 2]" 1
629 1 96 ALA H 1 97 HIS H 2.500 . 3.000 2.481 2.322 2.736 . 0 0 "[ . 1 . 2]" 1
630 1 96 ALA MB 1 97 HIS H 3.200 . 5.000 2.635 2.299 2.879 . 0 0 "[ . 1 . 2]" 1
631 1 96 ALA HA 1 97 HIS H 3.200 . 5.000 3.527 3.480 3.588 . 0 0 "[ . 1 . 2]" 1
632 1 93 ALA HA 1 97 HIS H 3.200 . 5.000 3.587 2.905 3.903 . 0 0 "[ . 1 . 2]" 1
633 1 97 HIS H 1 98 GLU H 2.500 . 3.000 2.927 2.747 3.000 0.000 2 0 "[ . 1 . 2]" 1
634 1 97 HIS HA 1 98 GLU H 3.200 . 5.000 3.562 3.550 3.572 . 0 0 "[ . 1 . 2]" 1
635 1 94 ILE HA 1 98 GLU H 3.200 . 4.000 3.981 3.484 4.059 0.059 20 0 "[ . 1 . 2]" 1
636 1 97 HIS QB 1 98 GLU H 3.200 . 5.000 2.392 2.147 3.328 . 0 0 "[ . 1 . 2]" 1
637 1 98 GLU H 1 101 ILE MG 3.200 . 5.000 5.024 4.422 5.121 0.121 11 0 "[ . 1 . 2]" 1
638 1 98 GLU H 1 101 ILE MD 3.200 . 5.000 4.262 3.551 4.752 . 0 0 "[ . 1 . 2]" 1
639 1 98 GLU H 1 99 PHE H 2.500 . 3.000 2.742 2.560 2.972 . 0 0 "[ . 1 . 2]" 1
640 1 98 GLU HA 1 99 PHE H 3.200 . 5.000 3.545 3.490 3.591 . 0 0 "[ . 1 . 2]" 1
641 1 95 LYS HA 1 99 PHE H 3.200 . 5.000 4.541 4.139 4.738 . 0 0 "[ . 1 . 2]" 1
642 1 98 GLU QB 1 99 PHE H 3.200 . 5.000 2.681 2.455 3.070 . 0 0 "[ . 1 . 2]" 1
643 1 98 GLU QG 1 99 PHE H 3.200 . 5.000 4.210 1.973 4.555 . 0 0 "[ . 1 . 2]" 1
644 1 99 PHE HA 1 100 MET H 3.200 . 5.000 3.520 3.448 3.566 . 0 0 "[ . 1 . 2]" 1
645 1 96 ALA HA 1 100 MET H 3.200 . 5.000 3.902 3.445 4.314 . 0 0 "[ . 1 . 2]" 1
646 1 99 PHE QB 1 100 MET H 3.200 . 5.000 2.814 2.498 3.555 . 0 0 "[ . 1 . 2]" 1
647 1 99 PHE QD 1 100 MET H 3.200 . 5.000 2.982 2.798 3.567 . 0 0 "[ . 1 . 2]" 1
648 1 99 PHE QE 1 100 MET H 3.200 . 5.000 4.921 4.201 5.023 0.023 18 0 "[ . 1 . 2]" 1
649 1 100 MET H 1 101 ILE H 2.500 . 3.000 2.570 2.371 2.768 . 0 0 "[ . 1 . 2]" 1
650 1 100 MET HA 1 101 ILE H 3.200 . 5.000 3.543 3.471 3.581 . 0 0 "[ . 1 . 2]" 1
651 1 97 HIS HA 1 101 ILE H 3.200 . 4.000 3.700 3.023 4.013 0.013 17 0 "[ . 1 . 2]" 1
652 1 100 MET QB 1 101 ILE H 3.200 . 5.000 2.513 2.187 3.326 . 0 0 "[ . 1 . 2]" 1
653 1 101 ILE H 1 102 THR H 2.500 . 3.000 2.705 2.553 2.873 . 0 0 "[ . 1 . 2]" 1
654 1 101 ILE HA 1 102 THR H 3.200 . 5.000 3.538 3.494 3.571 . 0 0 "[ . 1 . 2]" 1
655 1 98 GLU HA 1 102 THR H 3.200 . 4.000 3.457 2.877 4.033 0.033 9 0 "[ . 1 . 2]" 1
656 1 101 ILE QG 1 102 THR H 3.200 . 5.000 3.102 1.932 4.360 . 0 0 "[ . 1 . 2]" 1
657 1 101 ILE HB 1 102 THR H 3.200 . 5.000 3.324 2.595 4.227 . 0 0 "[ . 1 . 2]" 1
658 1 101 ILE MG 1 102 THR H 3.200 . 5.000 3.455 2.385 4.088 . 0 0 "[ . 1 . 2]" 1
659 1 101 ILE MD 1 102 THR H 3.200 . 5.000 4.094 1.716 4.932 0.084 9 0 "[ . 1 . 2]" 1
660 1 102 THR H 1 103 GLU H 2.500 . 3.000 2.627 2.512 2.705 . 0 0 "[ . 1 . 2]" 1
661 1 102 THR HA 1 103 GLU H 3.200 . 5.000 3.547 3.505 3.559 . 0 0 "[ . 1 . 2]" 1
662 1 99 PHE HA 1 103 GLU H 3.200 . 4.000 3.923 3.727 4.020 0.020 5 0 "[ . 1 . 2]" 1
663 1 102 THR MG 1 103 GLU H 3.200 . 5.000 3.140 1.890 3.889 . 0 0 "[ . 1 . 2]" 1
664 1 103 GLU H 1 104 SER H 2.500 . 3.000 2.502 2.172 2.685 . 0 0 "[ . 1 . 2]" 1
665 1 101 ILE HA 1 104 SER H 3.200 . 5.000 3.563 3.108 3.882 . 0 0 "[ . 1 . 2]" 1
666 1 103 GLU QB 1 104 SER H 3.200 . 5.000 2.770 2.499 3.563 . 0 0 "[ . 1 . 2]" 1
667 1 103 GLU QG 1 104 SER H 3.200 . 5.000 4.223 2.065 4.659 . 0 0 "[ . 1 . 2]" 1
668 1 103 GLU H 1 105 GLN H 3.200 . 5.000 3.987 3.716 4.332 . 0 0 "[ . 1 . 2]" 1
669 1 105 GLN HA 1 106 GLY H 3.200 . 5.000 2.200 2.088 2.289 . 0 0 "[ . 1 . 2]" 1
670 1 105 GLN HA 1 107 LYS H 3.200 . 5.000 3.692 3.574 3.916 . 0 0 "[ . 1 . 2]" 1
671 1 107 LYS H 1 108 GLU H 3.200 . 5.000 4.426 4.318 4.531 . 0 0 "[ . 1 . 2]" 1
672 1 106 GLY QA 1 107 LYS H 3.200 . 5.000 2.747 2.719 2.783 . 0 0 "[ . 1 . 2]" 1
673 1 108 GLU H 1 109 ASN H 3.200 . 5.000 3.549 2.871 3.915 . 0 0 "[ . 1 . 2]" 1
674 1 108 GLU HA 1 109 ASN H 3.200 . 4.000 2.491 2.364 2.661 . 0 0 "[ . 1 . 2]" 1
675 1 109 ASN H 1 110 MET H 3.200 . 5.000 4.364 4.334 4.481 . 0 0 "[ . 1 . 2]" 1
676 1 109 ASN HA 1 110 MET H 2.500 . 3.000 2.627 2.428 2.681 . 0 0 "[ . 1 . 2]" 1
677 1 109 ASN QB 1 110 MET H 3.200 . 5.000 2.105 1.845 2.445 . 0 0 "[ . 1 . 2]" 1
678 1 110 MET H 1 111 LYS H 3.200 . 5.000 4.471 4.299 4.547 . 0 0 "[ . 1 . 2]" 1
679 1 110 MET HA 1 111 LYS H 2.500 . 3.000 2.147 2.106 2.193 . 0 0 "[ . 1 . 2]" 1
680 1 110 MET ME 1 111 LYS H 3.200 . 5.000 4.220 2.754 5.018 0.018 3 0 "[ . 1 . 2]" 1
681 1 110 MET QB 1 111 LYS H 3.200 . 5.000 3.570 3.040 3.944 . 0 0 "[ . 1 . 2]" 1
682 1 110 MET QG 1 111 LYS H 3.200 . 5.000 3.324 2.351 4.446 . 0 0 "[ . 1 . 2]" 1
683 1 111 LYS H 1 112 ALA H 3.200 . 5.000 4.449 4.329 4.546 . 0 0 "[ . 1 . 2]" 1
684 1 111 LYS HA 1 112 ALA H 3.200 . 5.000 2.485 2.256 2.573 . 0 0 "[ . 1 . 2]" 1
685 1 111 LYS QB 1 112 ALA H 3.200 . 5.000 2.775 2.262 3.520 . 0 0 "[ . 1 . 2]" 1
686 1 111 LYS QG 1 112 ALA H 3.200 . 5.000 3.273 1.827 4.391 . 0 0 "[ . 1 . 2]" 1
687 1 111 LYS QD 1 112 ALA H 3.200 . 5.000 4.180 2.735 5.028 0.028 5 0 "[ . 1 . 2]" 1
688 1 112 ALA HA 1 113 VAL H 2.500 . 3.000 2.291 2.229 2.405 . 0 0 "[ . 1 . 2]" 1
689 1 112 ALA MB 1 113 VAL H 3.200 . 5.000 2.662 2.340 2.855 . 0 0 "[ . 1 . 2]" 1
690 1 113 VAL HA 1 114 LEU H 3.200 . 5.000 2.247 2.140 2.324 . 0 0 "[ . 1 . 2]" 1
691 1 113 VAL QG 1 114 LEU H 3.200 . 5.000 2.307 1.923 3.403 . 0 0 "[ . 1 . 2]" 1
692 1 114 LEU HA 1 115 ILE H 2.500 . 3.000 2.132 2.078 2.153 . 0 0 "[ . 1 . 2]" 1
693 1 115 ILE MG 1 116 GLY H 3.200 . 4.000 3.579 2.478 4.162 0.162 13 0 "[ . 1 . 2]" 1
694 1 115 ILE MD 1 116 GLY H 3.200 . 4.000 3.343 2.237 4.015 0.015 15 0 "[ . 1 . 2]" 1
695 1 9 MET H 1 116 GLY QA 3.200 . 5.000 3.367 2.592 4.292 . 0 0 "[ . 1 . 2]" 1
696 1 9 MET H 1 115 ILE MG 3.200 . 5.000 3.446 2.705 4.654 . 0 0 "[ . 1 . 2]" 1
697 1 9 MET H 1 115 ILE MD 3.200 . 5.000 4.732 4.046 5.096 0.096 7 0 "[ . 1 . 2]" 1
698 1 10 LEU H 1 86 GLU HA 3.200 . 4.000 3.819 3.328 4.060 0.060 14 0 "[ . 1 . 2]" 1
699 1 10 LEU H 1 85 VAL QG 3.200 . 5.000 2.897 2.065 4.040 . 0 0 "[ . 1 . 2]" 1
700 1 10 LEU H 1 86 GLU QG 3.200 . 5.000 4.247 3.360 5.003 0.003 4 0 "[ . 1 . 2]" 1
701 1 11 LEU H 1 113 VAL H 2.500 . 3.000 3.003 2.754 3.083 0.083 2 0 "[ . 1 . 2]" 1
702 1 11 LEU H 1 115 ILE H 3.200 . 5.000 3.866 3.510 4.417 . 0 0 "[ . 1 . 2]" 1
703 1 11 LEU H 1 114 LEU HA 3.200 . 4.000 3.907 3.587 4.082 0.082 18 0 "[ . 1 . 2]" 1
704 1 11 LEU H 1 112 ALA HA 3.200 . 5.000 4.766 4.601 4.913 . 0 0 "[ . 1 . 2]" 1
705 1 12 VAL H 1 83 ALA H 3.200 . 4.000 2.299 1.919 2.754 . 0 0 "[ . 1 . 2]" 1
706 1 12 VAL H 1 85 VAL H 3.200 . 5.000 4.499 4.198 4.721 . 0 0 "[ . 1 . 2]" 1
707 1 12 VAL H 1 84 ILE HA 3.200 . 5.000 3.741 3.237 4.083 . 0 0 "[ . 1 . 2]" 1
708 1 13 TYR H 1 111 LYS H 2.500 . 3.000 2.804 2.305 3.173 0.173 18 0 "[ . 1 . 2]" 1
709 1 13 TYR H 1 112 ALA HA 3.200 . 4.000 3.545 2.863 4.047 0.047 12 0 "[ . 1 . 2]" 1
710 1 13 TYR H 1 110 MET HA 3.200 . 5.000 4.195 3.622 4.796 . 0 0 "[ . 1 . 2]" 1
711 1 13 TYR H 1 111 LYS QG 3.200 . 5.000 4.847 3.988 5.160 0.160 3 0 "[ . 1 . 2]" 1
712 1 14 ASP H 1 77 VAL QG 3.200 . 5.000 3.503 2.321 4.225 . 0 0 "[ . 1 . 2]" 1
713 1 15 LEU H 1 111 LYS H 3.200 . 5.000 4.978 4.609 5.078 0.078 8 0 "[ . 1 . 2]" 1
714 1 16 TYR H 1 79 THR MG 3.200 . 4.000 4.071 4.010 4.174 0.174 20 0 "[ . 1 . 2]" 1
715 1 17 LEU H 1 79 THR MG 3.200 . 4.000 3.570 3.150 4.018 0.018 2 0 "[ . 1 . 2]" 1
716 1 22 TRP HE1 1 23 ALA HA 3.200 . 5.000 4.996 4.766 5.074 0.074 20 0 "[ . 1 . 2]" 1
717 1 17 LEU HA 1 22 TRP HE1 3.200 . 5.000 4.512 3.890 5.025 0.025 6 0 "[ . 1 . 2]" 1
718 1 17 LEU HG 1 22 TRP HE1 3.200 . 5.000 4.057 3.338 5.051 0.051 14 0 "[ . 1 . 2]" 1
719 1 17 LEU QD 1 22 TRP HE1 3.200 . 5.000 3.893 2.684 4.371 . 0 0 "[ . 1 . 2]" 1
720 1 17 LEU QB 1 22 TRP HE1 3.200 . 5.000 5.002 4.439 5.117 0.117 19 0 "[ . 1 . 2]" 1
721 1 49 GLY H 1 92 ALA MB 3.200 . 5.000 4.789 4.357 5.027 0.027 2 0 "[ . 1 . 2]" 1
722 1 52 SER H 1 87 PHE HA 2.500 . 3.000 2.312 1.936 2.712 . 0 0 "[ . 1 . 2]" 1
723 1 52 SER H 1 87 PHE QB 3.200 . 5.000 4.313 3.702 4.767 . 0 0 "[ . 1 . 2]" 1
724 1 53 SER H 1 86 GLU H 2.500 . 3.000 2.647 2.558 2.752 . 0 0 "[ . 1 . 2]" 1
725 1 53 SER H 1 85 VAL HA 3.200 . 4.000 4.202 4.126 4.272 0.272 11 0 "[ . 1 . 2]" 1
726 1 53 SER H 1 86 GLU QB 3.200 . 4.000 2.918 2.492 3.245 . 0 0 "[ . 1 . 2]" 1
727 1 38 MET ME 1 54 VAL H 3.200 . 4.000 3.859 3.455 4.035 0.035 2 0 "[ . 1 . 2]" 1
728 1 55 ARG H 1 84 ILE H 2.500 . 3.000 2.956 2.800 3.038 0.038 2 0 "[ . 1 . 2]" 1
729 1 55 ARG H 1 86 GLU H 3.200 . 5.000 5.120 5.013 5.176 0.176 20 0 "[ . 1 . 2]" 1
730 1 55 ARG H 1 85 VAL HA 3.200 . 4.000 3.573 3.463 3.702 . 0 0 "[ . 1 . 2]" 1
731 1 55 ARG H 1 83 ALA HA 3.200 . 5.000 5.019 4.919 5.160 0.160 20 0 "[ . 1 . 2]" 1
732 1 55 ARG H 1 84 ILE MG 3.200 . 5.000 4.126 3.735 4.840 . 0 0 "[ . 1 . 2]" 1
733 1 55 ARG H 1 84 ILE MD 3.200 . 5.000 4.836 4.298 5.042 0.042 11 0 "[ . 1 . 2]" 1
734 1 38 MET ME 1 56 ILE H 3.200 . 4.000 3.449 3.012 3.847 . 0 0 "[ . 1 . 2]" 1
735 1 57 LEU H 1 83 ALA HA 3.200 . 4.000 2.603 2.256 2.895 . 0 0 "[ . 1 . 2]" 1
736 1 57 LEU H 1 82 CYS H 3.200 . 4.000 4.030 3.950 4.083 0.083 5 0 "[ . 1 . 2]" 1
737 1 57 LEU H 1 84 ILE H 3.200 . 5.000 4.282 3.950 4.507 . 0 0 "[ . 1 . 2]" 1
738 1 57 LEU H 1 82 CYS QB 3.200 . 5.000 3.805 3.123 4.542 . 0 0 "[ . 1 . 2]" 1
739 1 63 LEU QD 1 68 ARG H 3.200 . 5.000 3.844 3.019 4.430 . 0 0 "[ . 1 . 2]" 1
740 1 14 ASP HA 1 81 GLU H 3.200 . 5.000 4.235 3.588 4.967 . 0 0 "[ . 1 . 2]" 1
741 1 13 TYR HA 1 81 GLU H 3.200 . 5.000 4.301 3.586 5.068 0.068 17 0 "[ . 1 . 2]" 1
742 1 58 LYS QB 1 82 CYS H 3.200 . 5.000 4.951 4.491 5.127 0.127 16 0 "[ . 1 . 2]" 1
743 1 58 LYS QE 1 82 CYS H 3.200 . 5.000 4.707 3.982 5.037 0.037 19 0 "[ . 1 . 2]" 1
744 1 57 LEU QD 1 82 CYS H 3.200 . 5.000 3.298 2.212 3.701 . 0 0 "[ . 1 . 2]" 1
745 1 63 LEU QD 1 82 CYS H 3.200 . 5.000 4.255 3.772 4.654 . 0 0 "[ . 1 . 2]" 1
746 1 57 LEU QB 1 82 CYS H 3.200 . 5.000 5.001 4.761 5.050 0.050 12 0 "[ . 1 . 2]" 1
747 1 57 LEU HG 1 82 CYS H 3.200 . 5.000 3.674 3.237 5.046 0.046 16 0 "[ . 1 . 2]" 1
748 1 58 LYS HA 1 82 CYS H 3.200 . 5.000 3.051 2.901 3.387 . 0 0 "[ . 1 . 2]" 1
749 1 13 TYR HA 1 83 ALA H 3.200 . 5.000 4.705 4.461 5.023 0.023 10 0 "[ . 1 . 2]" 1
750 1 56 ILE HA 1 84 ILE H 2.500 . 3.000 2.977 2.776 3.124 0.124 5 0 "[ . 1 . 2]" 1
751 1 55 ARG QB 1 84 ILE H 3.200 . 5.000 3.401 2.995 4.293 . 0 0 "[ . 1 . 2]" 1
752 1 10 LEU H 1 85 VAL H 3.200 . 4.000 3.622 3.254 4.000 0.000 15 0 "[ . 1 . 2]" 1
753 1 11 LEU HA 1 85 VAL H 2.500 . 3.000 3.050 2.838 3.125 0.125 18 0 "[ . 1 . 2]" 1
754 1 54 VAL HA 1 86 GLU H 3.200 . 4.000 3.742 3.618 3.862 . 0 0 "[ . 1 . 2]" 1
755 1 52 SER H 1 86 GLU H 3.200 . 5.000 3.651 3.584 3.776 . 0 0 "[ . 1 . 2]" 1
756 1 54 VAL QG 1 86 GLU H 3.200 . 5.000 3.381 3.049 3.671 . 0 0 "[ . 1 . 2]" 1
757 1 53 SER QB 1 86 GLU H 3.200 . 4.000 3.852 3.603 4.012 0.012 11 0 "[ . 1 . 2]" 1
758 1 51 ILE HA 1 88 GLU H 3.200 . 5.000 4.272 3.926 4.650 . 0 0 "[ . 1 . 2]" 1
759 1 50 VAL HB 1 88 GLU H 3.200 . 5.000 4.829 3.567 5.037 0.037 14 0 "[ . 1 . 2]" 1
760 1 5 LEU QD 1 90 VAL H 3.200 . 4.000 3.797 2.353 4.858 0.858 18 1 "[ . 1 . + 2]" 1
761 1 8 LYS QB 1 90 VAL H 3.200 . 5.000 3.809 2.799 4.584 . 0 0 "[ . 1 . 2]" 1
762 1 8 LYS QE 1 90 VAL H 3.200 . 5.000 4.390 2.718 5.027 0.027 11 0 "[ . 1 . 2]" 1
763 1 8 LYS QD 1 90 VAL H 3.200 . 5.000 3.988 2.774 5.019 0.019 13 0 "[ . 1 . 2]" 1
764 1 8 LYS QG 1 90 VAL H 3.200 . 5.000 3.817 1.992 4.959 . 0 0 "[ . 1 . 2]" 1
765 1 87 PHE QD 1 93 ALA H 3.200 . 5.000 3.265 2.768 3.883 . 0 0 "[ . 1 . 2]" 1
766 1 87 PHE QE 1 93 ALA H 3.200 . 5.000 4.568 3.861 5.007 0.007 19 0 "[ . 1 . 2]" 1
767 1 87 PHE QB 1 93 ALA H 3.200 . 5.000 3.547 2.947 4.057 . 0 0 "[ . 1 . 2]" 1
768 1 94 ILE H 1 114 LEU QD 3.200 . 5.000 3.816 3.274 4.246 . 0 0 "[ . 1 . 2]" 1
769 1 10 LEU QD 1 96 ALA H 3.200 . 5.000 4.927 4.282 5.072 0.072 12 0 "[ . 1 . 2]" 1
770 1 104 SER HA 1 109 ASN H 3.200 . 5.000 4.170 3.742 4.708 . 0 0 "[ . 1 . 2]" 1
771 1 14 ASP QB 1 110 MET H 3.200 . 5.000 3.959 3.022 4.555 . 0 0 "[ . 1 . 2]" 1
772 1 15 LEU HA 1 110 MET H 2.500 . 3.000 2.942 2.476 3.125 0.125 5 0 "[ . 1 . 2]" 1
773 1 15 LEU QB 1 110 MET H 3.200 . 5.000 4.365 3.829 4.600 . 0 0 "[ . 1 . 2]" 1
774 1 15 LEU QD 1 110 MET H 3.200 . 5.000 4.621 3.628 5.083 0.083 3 0 "[ . 1 . 2]" 1
775 1 12 VAL HA 1 111 LYS H 3.200 . 5.000 4.615 4.340 4.904 . 0 0 "[ . 1 . 2]" 1
776 1 100 MET ME 1 111 LYS H 3.200 . 4.000 2.920 2.183 3.454 . 0 0 "[ . 1 . 2]" 1
777 1 14 ASP QB 1 111 LYS H 3.200 . 4.000 3.876 3.269 4.149 0.149 4 0 "[ . 1 . 2]" 1
778 1 13 TYR QD 1 111 LYS H 3.200 . 4.000 3.941 3.172 4.079 0.079 2 0 "[ . 1 . 2]" 1
779 1 101 ILE HA 1 112 ALA H 3.200 . 5.000 3.574 3.099 4.291 . 0 0 "[ . 1 . 2]" 1
780 1 101 ILE HB 1 112 ALA H 3.200 . 5.000 4.789 4.000 5.075 0.075 13 0 "[ . 1 . 2]" 1
781 1 101 ILE MG 1 112 ALA H 3.200 . 5.000 3.306 1.856 5.044 0.044 10 0 "[ . 1 . 2]" 1
782 1 101 ILE MD 1 112 ALA H 3.200 . 5.000 4.541 3.379 5.081 0.081 12 0 "[ . 1 . 2]" 1
783 1 100 MET QB 1 112 ALA H 3.200 . 5.000 3.436 2.890 5.007 0.007 4 0 "[ . 1 . 2]" 1
784 1 12 VAL HA 1 113 VAL H 3.200 . 4.000 3.839 3.447 4.112 0.112 2 0 "[ . 1 . 2]" 1
785 1 11 LEU HG 1 113 VAL H 3.200 . 5.000 3.437 2.373 5.014 0.014 19 0 "[ . 1 . 2]" 1
786 1 11 LEU QD 1 113 VAL H 3.200 . 5.000 3.638 2.945 4.295 . 0 0 "[ . 1 . 2]" 1
787 1 12 VAL QG 1 113 VAL H 3.200 . 5.000 4.531 4.146 5.033 0.033 10 0 "[ . 1 . 2]" 1
788 1 10 LEU HA 1 115 ILE H 2.500 . 3.000 2.573 1.988 3.029 0.029 11 0 "[ . 1 . 2]" 1
789 1 10 LEU HG 1 115 ILE H 3.200 . 5.000 4.491 3.769 5.038 0.038 3 0 "[ . 1 . 2]" 1
790 1 9 MET H 1 115 ILE H 3.200 . 4.000 3.816 3.189 4.035 0.035 8 0 "[ . 1 . 2]" 1
791 1 9 MET QB 1 115 ILE H 3.200 . 5.000 4.382 3.922 5.033 0.033 17 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 70
_Distance_constraint_stats_list.Viol_count 210
_Distance_constraint_stats_list.Viol_total 193.177
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0229
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0460
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 MET 0.001 0.001 3 0 "[ . 1 . 2]"
1 10 LEU 0.045 0.020 13 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 2.602 0.160 12 0 "[ . 1 . 2]"
1 13 TYR 1.827 0.204 20 0 "[ . 1 . 2]"
1 31 GLY 1.582 0.102 17 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 1.582 0.102 17 0 "[ . 1 . 2]"
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 HIS 0.108 0.031 15 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.108 0.031 15 0 "[ . 1 . 2]"
1 45 PHE 0.798 0.189 2 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.798 0.189 2 0 "[ . 1 . 2]"
1 53 SER 0.295 0.075 7 0 "[ . 1 . 2]"
1 55 ARG 0.760 0.084 8 0 "[ . 1 . 2]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 2.602 0.160 12 0 "[ . 1 . 2]"
1 84 ILE 0.760 0.084 8 0 "[ . 1 . 2]"
1 85 VAL 0.045 0.020 13 0 "[ . 1 . 2]"
1 86 GLU 0.295 0.075 7 0 "[ . 1 . 2]"
1 89 GLU 0.278 0.068 11 0 "[ . 1 . 2]"
1 90 VAL 0.066 0.043 2 0 "[ . 1 . 2]"
1 91 GLU 0.405 0.064 3 0 "[ . 1 . 2]"
1 92 ALA 0.012 0.012 15 0 "[ . 1 . 2]"
1 93 ALA 0.387 0.068 11 0 "[ . 1 . 2]"
1 94 ILE 0.154 0.043 2 0 "[ . 1 . 2]"
1 95 LYS 0.946 0.064 3 0 "[ . 1 . 2]"
1 96 ALA 0.012 0.012 15 0 "[ . 1 . 2]"
1 97 HIS 0.244 0.059 5 0 "[ . 1 . 2]"
1 98 GLU 0.088 0.016 1 0 "[ . 1 . 2]"
1 99 PHE 0.547 0.052 12 0 "[ . 1 . 2]"
1 100 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ILE 0.135 0.059 5 0 "[ . 1 . 2]"
1 102 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLU 0.006 0.006 12 0 "[ . 1 . 2]"
1 111 LYS 1.827 0.204 20 0 "[ . 1 . 2]"
1 113 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ILE 0.001 0.001 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 MET N 1 115 ILE O 3.000 2.500 3.500 3.067 2.630 3.449 . 0 0 "[ . 1 . 2]" 2
2 1 9 MET H 1 115 ILE O 2.100 . 2.600 2.231 1.652 2.601 0.001 3 0 "[ . 1 . 2]" 2
3 1 10 LEU N 1 85 VAL O 3.000 2.500 3.500 3.230 2.806 3.508 0.008 14 0 "[ . 1 . 2]" 2
4 1 10 LEU H 1 85 VAL O 2.100 . 2.600 2.322 1.849 2.620 0.020 13 0 "[ . 1 . 2]" 2
5 1 11 LEU N 1 113 VAL O 3.000 2.500 3.500 3.033 2.667 3.239 . 0 0 "[ . 1 . 2]" 2
6 1 11 LEU H 1 113 VAL O 2.100 . 2.600 2.089 1.711 2.282 . 0 0 "[ . 1 . 2]" 2
7 1 12 VAL N 1 83 ALA O 3.000 2.500 3.500 2.707 2.493 2.980 0.007 20 0 "[ . 1 . 2]" 2
8 1 12 VAL H 1 83 ALA O 2.100 . 2.600 1.814 1.577 2.197 0.023 19 0 "[ . 1 . 2]" 2
9 1 13 TYR N 1 111 LYS O 3.000 2.500 3.500 2.693 2.388 3.204 0.112 4 0 "[ . 1 . 2]" 2
10 1 13 TYR H 1 111 LYS O 2.100 . 2.600 1.995 1.604 2.535 . 0 0 "[ . 1 . 2]" 2
11 1 31 GLY O 1 35 GLU N 3.000 2.500 3.500 3.425 3.381 3.479 . 0 0 "[ . 1 . 2]" 2
12 1 31 GLY O 1 35 GLU H 2.100 . 2.600 2.679 2.668 2.702 0.102 17 0 "[ . 1 . 2]" 2
13 1 32 ARG O 1 36 LYS N 3.000 2.500 3.500 3.303 3.205 3.433 . 0 0 "[ . 1 . 2]" 2
14 1 32 ARG O 1 36 LYS H 2.100 . 2.600 2.357 2.253 2.496 . 0 0 "[ . 1 . 2]" 2
15 1 33 VAL O 1 37 VAL N 3.000 2.500 3.500 2.987 2.798 3.203 . 0 0 "[ . 1 . 2]" 2
16 1 33 VAL O 1 37 VAL H 2.100 . 2.600 2.040 1.819 2.240 . 0 0 "[ . 1 . 2]" 2
17 1 34 GLN O 1 38 MET N 3.000 2.500 3.500 3.185 3.008 3.427 . 0 0 "[ . 1 . 2]" 2
18 1 34 GLN O 1 38 MET H 2.100 . 2.600 2.300 2.118 2.590 . 0 0 "[ . 1 . 2]" 2
19 1 35 GLU O 1 39 GLU N 3.000 2.500 3.500 3.020 2.639 3.489 . 0 0 "[ . 1 . 2]" 2
20 1 35 GLU O 1 39 GLU H 2.100 . 2.600 2.081 1.699 2.541 . 0 0 "[ . 1 . 2]" 2
21 1 40 HIS O 1 44 LEU N 3.000 2.500 3.500 3.448 3.203 3.531 0.031 15 0 "[ . 1 . 2]" 2
22 1 40 HIS O 1 44 LEU H 2.100 . 2.600 2.478 2.226 2.554 . 0 0 "[ . 1 . 2]" 2
23 1 41 LEU O 1 45 PHE N 3.000 2.500 3.500 2.636 2.544 2.773 . 0 0 "[ . 1 . 2]" 2
24 1 41 LEU O 1 45 PHE H 2.100 . 2.600 1.746 1.639 1.887 . 0 0 "[ . 1 . 2]" 2
25 1 42 LEU O 1 46 GLY N 3.000 2.500 3.500 2.667 2.538 2.890 . 0 0 "[ . 1 . 2]" 2
26 1 42 LEU O 1 46 GLY H 2.100 . 2.600 1.980 1.686 2.487 . 0 0 "[ . 1 . 2]" 2
27 1 45 PHE O 1 49 GLY N 3.000 2.500 3.500 2.932 2.563 3.467 . 0 0 "[ . 1 . 2]" 2
28 1 45 PHE O 1 49 GLY H 2.100 . 2.600 2.170 1.726 2.789 0.189 2 0 "[ . 1 . 2]" 2
29 1 53 SER N 1 86 GLU O 3.000 2.500 3.500 3.297 3.069 3.458 . 0 0 "[ . 1 . 2]" 2
30 1 53 SER H 1 86 GLU O 2.100 . 2.600 2.553 2.385 2.675 0.075 7 0 "[ . 1 . 2]" 2
31 1 55 ARG N 1 84 ILE O 3.000 2.500 3.500 2.599 2.530 2.760 . 0 0 "[ . 1 . 2]" 2
32 1 55 ARG H 1 84 ILE O 2.100 . 2.600 1.647 1.574 1.804 0.026 16 0 "[ . 1 . 2]" 2
33 1 57 LEU N 1 82 CYS O 3.000 2.500 3.500 2.793 2.622 3.097 . 0 0 "[ . 1 . 2]" 2
34 1 57 LEU H 1 82 CYS O 2.100 . 2.600 1.954 1.736 2.179 . 0 0 "[ . 1 . 2]" 2
35 1 57 LEU O 1 82 CYS N 3.000 2.500 3.500 3.250 3.126 3.391 . 0 0 "[ . 1 . 2]" 2
36 1 57 LEU O 1 82 CYS H 2.100 . 2.600 2.379 2.244 2.498 . 0 0 "[ . 1 . 2]" 2
37 1 12 VAL O 1 83 ALA N 3.000 2.500 3.500 3.507 3.187 3.610 0.110 16 0 "[ . 1 . 2]" 2
38 1 12 VAL O 1 83 ALA H 2.100 . 2.600 2.687 2.630 2.760 0.160 12 0 "[ . 1 . 2]" 2
39 1 55 ARG O 1 84 ILE N 3.000 2.500 3.500 2.505 2.439 2.692 0.061 14 0 "[ . 1 . 2]" 2
40 1 55 ARG O 1 84 ILE H 2.100 . 2.600 1.639 1.516 1.848 0.084 8 0 "[ . 1 . 2]" 2
41 1 10 LEU O 1 85 VAL N 3.000 2.500 3.500 2.799 2.574 3.177 . 0 0 "[ . 1 . 2]" 2
42 1 10 LEU O 1 85 VAL H 2.100 . 2.600 1.847 1.628 2.230 . 0 0 "[ . 1 . 2]" 2
43 1 53 SER O 1 86 GLU N 3.000 2.500 3.500 2.823 2.604 3.003 . 0 0 "[ . 1 . 2]" 2
44 1 53 SER O 1 86 GLU H 2.100 . 2.600 2.009 1.879 2.175 . 0 0 "[ . 1 . 2]" 2
45 1 89 GLU O 1 93 ALA N 3.000 2.500 3.500 3.434 3.176 3.568 0.068 11 0 "[ . 1 . 2]" 2
46 1 89 GLU O 1 93 ALA H 2.100 . 2.600 2.482 2.242 2.621 0.021 11 0 "[ . 1 . 2]" 2
47 1 90 VAL O 1 94 ILE N 3.000 2.500 3.500 2.720 2.457 3.013 0.043 2 0 "[ . 1 . 2]" 2
48 1 90 VAL O 1 94 ILE H 2.100 . 2.600 1.844 1.600 2.171 . 0 0 "[ . 1 . 2]" 2
49 1 91 GLU O 1 95 LYS N 3.000 2.500 3.500 3.334 2.830 3.564 0.064 3 0 "[ . 1 . 2]" 2
50 1 91 GLU O 1 95 LYS H 2.100 . 2.600 2.438 1.906 2.625 0.025 3 0 "[ . 1 . 2]" 2
51 1 92 ALA O 1 96 ALA N 3.000 2.500 3.500 3.212 2.691 3.512 0.012 15 0 "[ . 1 . 2]" 2
52 1 92 ALA O 1 96 ALA H 2.100 . 2.600 2.301 1.733 2.559 . 0 0 "[ . 1 . 2]" 2
53 1 93 ALA O 1 97 HIS N 3.000 2.500 3.500 2.540 2.475 2.630 0.025 13 0 "[ . 1 . 2]" 2
54 1 93 ALA O 1 97 HIS H 2.100 . 2.600 1.637 1.583 1.708 0.017 6 0 "[ . 1 . 2]" 2
55 1 94 ILE O 1 98 GLU N 3.000 2.500 3.500 3.412 3.035 3.516 0.016 1 0 "[ . 1 . 2]" 2
56 1 94 ILE O 1 98 GLU H 2.100 . 2.600 2.454 2.092 2.602 0.002 5 0 "[ . 1 . 2]" 2
57 1 95 LYS O 1 99 PHE N 3.000 2.500 3.500 3.491 3.358 3.552 0.052 12 0 "[ . 1 . 2]" 2
58 1 95 LYS O 1 99 PHE H 2.100 . 2.600 2.610 2.563 2.638 0.038 5 0 "[ . 1 . 2]" 2
59 1 96 ALA O 1 100 MET N 3.000 2.500 3.500 2.714 2.535 3.105 . 0 0 "[ . 1 . 2]" 2
60 1 96 ALA O 1 100 MET H 2.100 . 2.600 1.828 1.605 2.394 . 0 0 "[ . 1 . 2]" 2
61 1 97 HIS O 1 101 ILE N 3.000 2.500 3.500 2.657 2.441 2.806 0.059 5 0 "[ . 1 . 2]" 2
62 1 97 HIS O 1 101 ILE H 2.100 . 2.600 1.749 1.579 1.923 0.021 5 0 "[ . 1 . 2]" 2
63 1 98 GLU O 1 102 THR N 3.000 2.500 3.500 2.754 2.551 3.357 . 0 0 "[ . 1 . 2]" 2
64 1 98 GLU O 1 102 THR H 2.100 . 2.600 1.864 1.612 2.578 . 0 0 "[ . 1 . 2]" 2
65 1 99 PHE O 1 103 GLU N 3.000 2.500 3.500 3.193 2.973 3.416 . 0 0 "[ . 1 . 2]" 2
66 1 99 PHE O 1 103 GLU H 2.100 . 2.600 2.305 2.056 2.606 0.006 12 0 "[ . 1 . 2]" 2
67 1 13 TYR O 1 111 LYS N 3.000 2.500 3.500 3.014 2.491 3.704 0.204 20 0 "[ . 1 . 2]" 2
68 1 13 TYR O 1 111 LYS H 2.100 . 2.600 2.163 1.640 2.751 0.151 20 0 "[ . 1 . 2]" 2
69 1 11 LEU O 1 113 VAL N 3.000 2.500 3.500 3.045 2.669 3.351 . 0 0 "[ . 1 . 2]" 2
70 1 11 LEU O 1 113 VAL H 2.100 . 2.600 2.132 1.737 2.404 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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