NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606634 |
5ks6   |
30136 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ks6
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 427
_Distance_constraint_stats_list.Viol_count 464
_Distance_constraint_stats_list.Viol_total 1098.703
_Distance_constraint_stats_list.Viol_max 0.429
_Distance_constraint_stats_list.Viol_rms 0.0361
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.1184
_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 1 MET 0.952 0.154 4 0 "[ . 1 . 2]"
1 4 THR 0.192 0.066 10 0 "[ . 1 . 2]"
1 5 VAL 0.130 0.066 20 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 0.321 0.206 16 0 "[ . 1 . 2]"
1 8 ILE 1.590 0.186 20 0 "[ . 1 . 2]"
1 9 ASN 0.100 0.066 20 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ILE 0.870 0.188 8 0 "[ . 1 . 2]"
1 15 ALA 6.328 0.416 20 0 "[ . 1 . 2]"
1 16 LEU 6.768 0.409 14 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.875 0.152 13 0 "[ . 1 . 2]"
1 22 LEU 0.535 0.110 15 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 1.022 0.149 15 0 "[ . 1 . 2]"
1 25 ALA 4.096 0.285 4 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.142 0.074 10 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TRP 0.142 0.074 10 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.013 0.012 15 0 "[ . 1 . 2]"
1 33 LEU 1.610 0.149 15 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.939 0.268 19 0 "[ . 1 . 2]"
1 45 GLU 0.045 0.045 7 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 0.172 0.066 20 0 "[ . 1 . 2]"
1 48 MET 1.776 0.188 8 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 1.191 0.201 6 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 1.894 0.401 8 0 "[ . 1 . 2]"
1 57 THR 2.846 0.429 20 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ILE 2.629 0.429 20 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 MET 0.033 0.033 16 0 "[ . 1 . 2]"
1 64 VAL 1.673 0.186 20 0 "[ . 1 . 2]"
1 65 ALA 3.712 0.300 6 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 TYR 6.328 0.416 20 0 "[ . 1 . 2]"
1 68 ILE 0.464 0.072 3 0 "[ . 1 . 2]"
1 69 LYS 0.101 0.085 7 0 "[ . 1 . 2]"
1 71 THR 11.626 0.409 14 0 "[ . 1 . 2]"
1 72 LEU 5.189 0.309 7 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 4.716 0.285 4 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.626 0.216 16 0 "[ . 1 . 2]"
1 82 LEU 2.677 0.318 3 0 "[ . 1 . 2]"
1 83 GLN 0.054 0.048 1 0 "[ . 1 . 2]"
1 84 GLN 0.679 0.181 17 0 "[ . 1 . 2]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 1.213 0.227 6 0 "[ . 1 . 2]"
1 89 LEU 2.132 0.318 3 0 "[ . 1 . 2]"
1 92 LEU 1.430 0.268 19 0 "[ . 1 . 2]"
1 93 ILE 0.228 0.099 8 0 "[ . 1 . 2]"
1 94 GLY 0.020 0.020 20 0 "[ . 1 . 2]"
1 95 GLN 0.020 0.020 20 0 "[ . 1 . 2]"
1 97 THR 2.451 0.295 8 0 "[ . 1 . 2]"
1 98 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLN 1.213 0.227 6 0 "[ . 1 . 2]"
1 102 LEU 2.175 0.295 8 0 "[ . 1 . 2]"
1 105 ALA 0.004 0.004 9 0 "[ . 1 . 2]"
1 106 TYR 3.562 0.300 6 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LEU 1.482 0.401 8 0 "[ . 1 . 2]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 2.738 0.324 18 0 "[ . 1 . 2]"
1 113 LEU 9.067 0.346 11 0 "[ . 1 . 2]"
1 114 LEU 3.043 0.306 9 0 "[ . 1 . 2]"
1 115 VAL 3.446 0.346 11 0 "[ . 1 . 2]"
1 117 ASP 0.174 0.074 20 0 "[ . 1 . 2]"
1 118 ALA 0.174 0.074 20 0 "[ . 1 . 2]"
1 121 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 ALA MB 1 67 TYR HD2 2.890 . 3.980 3.905 3.689 4.081 0.101 3 0 "[ . 1 . 2]" 1
2 1 15 ALA MB 1 67 TYR HE2 3.150 . 4.510 4.805 4.621 4.926 0.416 20 0 "[ . 1 . 2]" 1
3 1 65 ALA MB 1 106 TYR HE1 2.960 . 4.120 3.848 3.440 4.294 0.174 20 0 "[ . 1 . 2]" 1
4 1 65 ALA MB 1 106 TYR HD1 3.000 . 4.200 4.356 4.263 4.500 0.300 6 0 "[ . 1 . 2]" 1
5 1 121 ALA H 1 121 ALA MB 3.160 . 4.520 2.502 2.252 2.912 . 0 0 "[ . 1 . 2]" 1
6 1 7 PHE HZ 1 11 TRP HE1 2.860 . 3.920 2.814 2.427 3.662 . 0 0 "[ . 1 . 2]" 1
7 1 15 ALA MB 1 67 TYR HE1 3.150 . 4.510 4.083 3.594 4.550 0.040 2 0 "[ . 1 . 2]" 1
8 1 15 ALA MB 1 67 TYR HD1 2.890 . 3.980 2.952 2.449 3.542 . 0 0 "[ . 1 . 2]" 1
9 1 65 ALA MB 1 106 TYR HE2 2.960 . 4.120 3.294 2.967 3.790 . 0 0 "[ . 1 . 2]" 1
10 1 65 ALA MB 1 106 TYR HD2 3.000 . 4.200 3.911 3.323 4.247 0.047 10 0 "[ . 1 . 2]" 1
11 1 15 ALA MB 1 17 LEU H 3.670 . 5.540 4.556 4.461 4.659 . 0 0 "[ . 1 . 2]" 1
12 1 56 ILE MD 1 64 VAL MG1 3.460 . 5.120 3.999 3.316 4.633 . 0 0 "[ . 1 . 2]" 1
13 1 22 LEU MD1 1 78 LEU MD2 2.310 . 2.820 2.382 2.256 2.489 . 0 0 "[ . 1 . 2]" 1
14 1 8 ILE MD 1 64 VAL MG2 2.950 . 4.100 3.312 2.960 3.616 . 0 0 "[ . 1 . 2]" 1
15 1 64 VAL MG2 1 68 ILE MD 3.220 . 4.640 4.614 4.478 4.712 0.072 3 0 "[ . 1 . 2]" 1
16 1 52 THR MG 1 64 VAL MG1 3.340 . 4.880 4.381 3.881 5.048 0.168 6 0 "[ . 1 . 2]" 1
17 1 52 THR MG 1 115 VAL MG2 3.560 . 5.320 4.262 2.495 5.444 0.124 1 0 "[ . 1 . 2]" 1
18 1 25 ALA MB 1 78 LEU MD2 3.110 . 4.420 2.026 1.961 2.082 . 0 0 "[ . 1 . 2]" 1
19 1 112 MET ME 1 115 VAL MG2 3.440 . 5.080 2.714 2.034 4.727 . 0 0 "[ . 1 . 2]" 1
20 1 33 LEU MD2 1 78 LEU MD1 2.360 . 2.920 2.762 2.389 3.012 0.092 4 0 "[ . 1 . 2]" 1
21 1 24 LEU MD1 1 33 LEU MD1 2.650 . 3.500 2.950 2.726 3.119 . 0 0 "[ . 1 . 2]" 1
22 1 33 LEU MD2 1 89 LEU MD1 3.440 . 5.080 2.895 1.795 4.245 0.005 12 0 "[ . 1 . 2]" 1
23 1 21 LEU MD2 1 33 LEU MD2 3.050 . 4.300 3.509 3.050 3.776 . 0 0 "[ . 1 . 2]" 1
24 1 72 LEU MD2 1 102 LEU MD1 2.950 . 4.100 3.710 3.236 4.058 . 0 0 "[ . 1 . 2]" 1
25 1 56 ILE MD 1 109 LEU MD1 2.580 . 3.360 2.800 2.150 3.761 0.401 8 0 "[ . 1 . 2]" 1
26 1 64 VAL MG1 1 109 LEU MD1 2.670 . 3.540 3.228 2.688 3.564 0.024 20 0 "[ . 1 . 2]" 1
27 1 22 LEU MD2 1 77 LEU MD1 3.620 . 5.440 2.174 1.994 2.492 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE MD 1 60 ILE MD 2.740 . 3.680 2.726 2.228 3.208 . 0 0 "[ . 1 . 2]" 1
29 1 112 MET ME 1 115 VAL MG1 3.440 . 5.080 4.082 2.278 5.149 0.069 9 0 "[ . 1 . 2]" 1
30 1 48 MET ME 1 97 THR MG 3.110 . 4.420 3.421 2.183 4.588 0.168 16 0 "[ . 1 . 2]" 1
31 1 21 LEU MD1 1 33 LEU MD1 3.500 . 5.200 4.438 4.123 4.876 . 0 0 "[ . 1 . 2]" 1
32 1 64 VAL MG1 1 109 LEU MD2 2.890 . 3.980 2.066 1.954 2.183 . 0 0 "[ . 1 . 2]" 1
33 1 56 ILE MD 1 113 LEU MD2 2.930 . 4.070 3.171 1.911 4.161 0.091 8 0 "[ . 1 . 2]" 1
34 1 60 ILE H 1 60 ILE MD 3.160 . 4.520 3.610 3.324 3.707 . 0 0 "[ . 1 . 2]" 1
35 1 57 THR H 1 60 ILE MD 2.810 . 3.820 2.133 1.687 4.249 0.429 20 0 "[ . 1 . 2]" 1
36 1 57 THR MG 1 60 ILE MD 2.480 . 3.160 2.585 2.072 3.266 0.106 20 0 "[ . 1 . 2]" 1
37 1 60 ILE MD 1 64 VAL MG2 3.500 . 5.200 4.727 4.548 4.893 . 0 0 "[ . 1 . 2]" 1
38 1 65 ALA H 1 65 ALA MB 2.930 . 4.070 2.300 2.269 2.340 . 0 0 "[ . 1 . 2]" 1
39 1 64 VAL MG1 1 65 ALA MB 3.050 . 4.290 3.734 3.444 4.004 . 0 0 "[ . 1 . 2]" 1
40 1 23 GLU H 1 25 ALA MB 3.800 . 5.800 4.887 4.709 5.212 . 0 0 "[ . 1 . 2]" 1
41 1 25 ALA MB 1 78 LEU MD1 2.580 . 3.360 3.554 3.385 3.645 0.285 4 0 "[ . 1 . 2]" 1
42 1 25 ALA MB 1 81 LEU MD1 3.320 . 4.840 2.643 2.109 3.874 . 0 0 "[ . 1 . 2]" 1
43 1 25 ALA MB 1 81 LEU MD2 3.650 . 5.500 3.473 2.085 4.214 . 0 0 "[ . 1 . 2]" 1
44 1 68 ILE MD 1 106 TYR H 3.060 . 4.320 3.494 2.873 4.067 . 0 0 "[ . 1 . 2]" 1
45 1 68 ILE MD 1 105 ALA MB 3.130 . 4.460 2.853 2.102 3.415 . 0 0 "[ . 1 . 2]" 1
46 1 64 VAL MG1 1 68 ILE MD 2.410 . 3.020 2.202 2.071 2.302 . 0 0 "[ . 1 . 2]" 1
47 1 47 VAL MG1 1 68 ILE MD 3.560 . 5.320 5.033 4.770 5.386 0.066 20 0 "[ . 1 . 2]" 1
48 1 14 ILE MD 1 45 GLU H 3.520 . 5.240 5.055 4.863 5.285 0.045 7 0 "[ . 1 . 2]" 1
49 1 14 ILE MD 1 44 ILE H 3.140 . 4.480 4.075 3.701 4.415 . 0 0 "[ . 1 . 2]" 1
50 1 14 ILE MD 1 48 MET H 3.330 . 4.860 4.456 4.083 4.771 . 0 0 "[ . 1 . 2]" 1
51 1 14 ILE MD 1 47 VAL H 2.970 . 4.140 3.949 3.775 4.155 0.015 7 0 "[ . 1 . 2]" 1
52 1 14 ILE MD 1 47 VAL MG1 2.510 . 3.220 2.582 2.104 3.080 . 0 0 "[ . 1 . 2]" 1
53 1 44 ILE MD 1 71 THR MG 3.130 . 4.460 3.901 3.152 4.455 . 0 0 "[ . 1 . 2]" 1
54 1 44 ILE MD 1 102 LEU MD1 2.560 . 3.320 2.221 1.777 2.790 0.023 18 0 "[ . 1 . 2]" 1
55 1 14 ILE MD 1 44 ILE MD 3.050 . 4.290 3.235 2.465 3.818 . 0 0 "[ . 1 . 2]" 1
56 1 48 MET ME 1 93 ILE MD 3.190 . 4.580 3.600 2.446 4.679 0.099 8 0 "[ . 1 . 2]" 1
57 1 93 ILE MD 1 97 THR MG 2.410 . 3.020 2.367 1.923 3.114 0.094 3 0 "[ . 1 . 2]" 1
58 1 47 VAL H 1 47 VAL MG2 2.790 . 3.780 2.099 1.975 2.268 . 0 0 "[ . 1 . 2]" 1
59 1 14 ILE MD 1 47 VAL MG2 2.530 . 3.260 1.906 1.756 2.215 0.044 7 0 "[ . 1 . 2]" 1
60 1 47 VAL MG1 1 48 MET H 3.200 . 4.600 3.533 3.343 3.751 . 0 0 "[ . 1 . 2]" 1
61 1 47 VAL H 1 47 VAL MG1 3.060 . 4.320 3.833 3.790 3.874 . 0 0 "[ . 1 . 2]" 1
62 1 47 VAL MG1 1 102 LEU MD1 3.580 . 5.360 4.633 3.629 5.226 . 0 0 "[ . 1 . 2]" 1
63 1 57 THR H 1 57 THR MG 2.670 . 3.540 2.498 2.148 3.653 0.113 18 0 "[ . 1 . 2]" 1
64 1 1 MET ME 1 57 THR MG 3.420 . 5.040 4.605 3.821 5.134 0.094 18 0 "[ . 1 . 2]" 1
65 1 46 THR MG 1 47 VAL H 3.140 . 4.480 3.669 3.468 3.992 . 0 0 "[ . 1 . 2]" 1
66 1 46 THR MG 1 47 VAL MG2 3.350 . 4.900 3.719 3.493 4.113 . 0 0 "[ . 1 . 2]" 1
67 1 38 VAL MG2 1 39 SER H 3.010 . 4.220 3.822 3.695 4.014 . 0 0 "[ . 1 . 2]" 1
68 1 12 GLN H 1 15 ALA MB 3.620 . 5.440 4.610 4.426 4.865 . 0 0 "[ . 1 . 2]" 1
69 1 14 ILE H 1 15 ALA MB 3.380 . 4.960 4.326 4.239 4.414 . 0 0 "[ . 1 . 2]" 1
70 1 15 ALA MB 1 16 LEU MD2 3.110 . 4.420 3.490 3.130 3.812 . 0 0 "[ . 1 . 2]" 1
71 1 112 MET ME 1 113 LEU H 3.110 . 4.420 3.752 1.781 4.572 0.152 13 0 "[ . 1 . 2]" 1
72 1 48 MET ME 1 49 GLU H 3.470 . 5.140 4.637 4.314 5.028 . 0 0 "[ . 1 . 2]" 1
73 1 48 MET ME 1 102 LEU MD1 2.470 . 3.140 2.991 2.470 3.203 0.063 4 0 "[ . 1 . 2]" 1
74 1 14 ILE MD 1 48 MET ME 3.230 . 4.660 4.594 4.094 4.848 0.188 8 0 "[ . 1 . 2]" 1
75 1 1 MET ME 1 8 ILE H 3.830 . 5.860 5.760 5.139 6.014 0.154 4 0 "[ . 1 . 2]" 1
76 1 1 MET ME 1 5 VAL H 3.200 . 4.600 3.885 3.364 4.306 . 0 0 "[ . 1 . 2]" 1
77 1 112 MET H 1 112 MET ME 3.780 . 5.760 4.942 2.842 5.837 0.077 13 0 "[ . 1 . 2]" 1
78 1 1 MET ME 1 8 ILE MD 2.780 . 3.760 2.859 2.381 3.217 . 0 0 "[ . 1 . 2]" 1
79 1 1 MET ME 1 60 ILE MD 2.840 . 3.880 2.084 1.819 2.411 . 0 0 "[ . 1 . 2]" 1
80 1 86 LEU MD2 1 99 GLN H 3.660 . 5.520 4.098 3.089 5.643 0.123 15 0 "[ . 1 . 2]" 1
81 1 32 LEU H 1 32 LEU MD1 3.200 . 4.600 3.746 3.681 3.832 . 0 0 "[ . 1 . 2]" 1
82 1 21 LEU H 1 21 LEU MD2 3.050 . 4.300 3.127 2.861 3.278 . 0 0 "[ . 1 . 2]" 1
83 1 21 LEU MD2 1 22 LEU H 3.560 . 5.320 4.668 4.590 4.750 . 0 0 "[ . 1 . 2]" 1
84 1 63 MET H 1 64 VAL MG2 3.560 . 5.320 4.325 4.160 4.582 . 0 0 "[ . 1 . 2]" 1
85 1 38 VAL MG1 1 42 GLN H 3.210 . 4.620 4.256 3.978 4.492 . 0 0 "[ . 1 . 2]" 1
86 1 38 VAL MG1 1 39 SER H 2.790 . 3.780 3.479 3.309 3.677 . 0 0 "[ . 1 . 2]" 1
87 1 5 VAL MG1 1 9 ASN H 3.070 . 4.340 4.246 4.056 4.406 0.066 20 0 "[ . 1 . 2]" 1
88 1 5 VAL MG1 1 6 GLU H 2.800 . 3.800 3.434 3.199 3.616 . 0 0 "[ . 1 . 2]" 1
89 1 1 MET ME 1 5 VAL MG1 3.190 . 4.580 4.222 3.875 4.553 . 0 0 "[ . 1 . 2]" 1
90 1 71 THR MG 1 72 LEU H 3.010 . 4.220 2.740 2.336 3.577 . 0 0 "[ . 1 . 2]" 1
91 1 16 LEU H 1 71 THR MG 3.620 . 5.440 5.775 5.365 5.849 0.409 14 0 "[ . 1 . 2]" 1
92 1 71 THR MG 1 102 LEU MD2 2.670 . 3.540 2.445 1.962 3.145 . 0 0 "[ . 1 . 2]" 1
93 1 14 ILE MD 1 71 THR MG 3.220 . 4.640 3.592 3.309 4.073 . 0 0 "[ . 1 . 2]" 1
94 1 21 LEU MD1 1 78 LEU MD1 2.710 . 3.620 3.017 2.839 3.197 . 0 0 "[ . 1 . 2]" 1
95 1 64 VAL MG1 1 65 ALA H 3.110 . 4.420 3.082 2.838 3.312 . 0 0 "[ . 1 . 2]" 1
96 1 86 LEU MD1 1 99 GLN H 3.660 . 5.520 4.828 2.269 5.747 0.227 6 0 "[ . 1 . 2]" 1
97 1 7 PHE HZ 1 114 LEU MD1 3.380 . 4.950 2.611 1.742 4.974 0.058 7 0 "[ . 1 . 2]" 1
98 1 48 MET ME 1 102 LEU MD2 3.190 . 4.580 4.428 3.563 4.676 0.096 18 0 "[ . 1 . 2]" 1
99 1 44 ILE MD 1 102 LEU MD2 3.010 . 4.220 2.049 1.786 2.465 0.014 18 0 "[ . 1 . 2]" 1
100 1 21 LEU MD1 1 89 LEU MD1 3.070 . 4.340 2.882 2.045 3.900 . 0 0 "[ . 1 . 2]" 1
101 1 34 LEU MD1 1 35 GLN H 3.600 . 5.400 4.690 4.487 4.942 . 0 0 "[ . 1 . 2]" 1
102 1 5 VAL MG2 1 6 GLU H 3.030 . 4.260 3.870 3.727 4.024 . 0 0 "[ . 1 . 2]" 1
103 1 5 VAL H 1 5 VAL MG2 2.550 . 3.300 2.180 2.049 2.393 . 0 0 "[ . 1 . 2]" 1
104 1 1 MET ME 1 5 VAL MG2 2.930 . 4.070 2.352 1.930 2.790 . 0 0 "[ . 1 . 2]" 1
105 1 33 LEU H 1 33 LEU MD2 3.220 . 4.640 4.150 4.062 4.294 . 0 0 "[ . 1 . 2]" 1
106 1 25 ALA MB 1 33 LEU MD2 2.930 . 4.060 1.818 1.743 1.916 0.057 10 0 "[ . 1 . 2]" 1
107 1 78 LEU H 1 78 LEU MD2 2.790 . 3.780 3.391 3.110 3.710 . 0 0 "[ . 1 . 2]" 1
108 1 78 LEU MD2 1 81 LEU H 3.490 . 5.180 4.868 4.531 5.197 0.017 13 0 "[ . 1 . 2]" 1
109 1 78 LEU MD2 1 81 LEU MD1 2.710 . 3.620 2.951 2.166 3.662 0.042 17 0 "[ . 1 . 2]" 1
110 1 22 LEU MD2 1 78 LEU H 3.340 . 4.880 4.865 4.395 4.990 0.110 15 0 "[ . 1 . 2]" 1
111 1 25 ALA MB 1 82 LEU MD2 3.150 . 4.500 3.885 1.942 4.554 0.054 8 0 "[ . 1 . 2]" 1
112 1 63 MET ME 1 64 VAL H 3.050 . 4.290 4.075 3.838 4.283 . 0 0 "[ . 1 . 2]" 1
113 1 63 MET H 1 63 MET ME 2.980 . 4.160 3.658 3.490 3.973 . 0 0 "[ . 1 . 2]" 1
114 1 8 ILE MD 1 63 MET ME 2.220 . 2.640 2.102 1.767 2.379 0.033 16 0 "[ . 1 . 2]" 1
115 1 63 MET ME 1 64 VAL MG2 3.010 . 4.220 3.720 3.419 3.906 . 0 0 "[ . 1 . 2]" 1
116 1 82 LEU H 1 82 LEU MD2 3.230 . 4.660 3.525 3.184 4.015 . 0 0 "[ . 1 . 2]" 1
117 1 82 LEU MD2 1 83 GLN H 3.570 . 5.340 4.688 4.569 4.892 . 0 0 "[ . 1 . 2]" 1
118 1 81 LEU MD2 1 82 LEU MD2 2.790 . 3.780 3.041 2.112 3.996 0.216 16 0 "[ . 1 . 2]" 1
119 1 44 ILE MD 1 92 LEU MD2 3.230 . 4.660 3.932 2.963 4.928 0.268 19 0 "[ . 1 . 2]" 1
120 1 22 LEU MD1 1 26 GLN H 3.200 . 4.600 4.287 4.011 4.532 . 0 0 "[ . 1 . 2]" 1
121 1 22 LEU MD1 1 23 GLU H 3.330 . 4.860 4.382 4.282 4.499 . 0 0 "[ . 1 . 2]" 1
122 1 22 LEU MD1 1 78 LEU H 2.840 . 3.880 3.194 2.833 3.424 . 0 0 "[ . 1 . 2]" 1
123 1 34 LEU MD2 1 35 GLN H 3.600 . 5.400 4.703 4.612 4.766 . 0 0 "[ . 1 . 2]" 1
124 1 22 LEU MD1 1 25 ALA MB 2.870 . 3.940 3.289 3.110 3.621 . 0 0 "[ . 1 . 2]" 1
125 1 44 ILE MD 1 92 LEU MD1 3.230 . 4.660 2.973 2.030 4.812 0.152 12 0 "[ . 1 . 2]" 1
126 1 52 THR MG 1 109 LEU MD1 2.610 . 3.410 3.271 2.684 3.611 0.201 6 0 "[ . 1 . 2]" 1
127 1 26 GLN H 1 33 LEU MD1 3.380 . 4.960 4.695 4.598 4.863 . 0 0 "[ . 1 . 2]" 1
128 1 31 ASP H 1 33 LEU MD1 3.640 . 5.480 4.593 4.425 5.024 . 0 0 "[ . 1 . 2]" 1
129 1 33 LEU MD1 1 34 LEU H 3.300 . 4.800 4.144 4.027 4.313 . 0 0 "[ . 1 . 2]" 1
130 1 32 LEU H 1 33 LEU MD1 3.310 . 4.820 3.846 3.697 4.119 . 0 0 "[ . 1 . 2]" 1
131 1 25 ALA MB 1 33 LEU MD1 2.820 . 3.840 2.564 2.323 2.791 . 0 0 "[ . 1 . 2]" 1
132 1 21 LEU MD2 1 33 LEU MD1 2.450 . 3.100 2.879 2.536 3.233 0.133 19 0 "[ . 1 . 2]" 1
133 1 8 ILE MD 1 64 VAL H 3.370 . 4.940 4.901 4.430 5.126 0.186 20 0 "[ . 1 . 2]" 1
134 1 8 ILE H 1 8 ILE MD 3.000 . 4.200 3.599 3.524 3.659 . 0 0 "[ . 1 . 2]" 1
135 1 69 LYS H 1 72 LEU MD1 3.250 . 4.700 4.522 4.339 4.785 0.085 7 0 "[ . 1 . 2]" 1
136 1 72 LEU H 1 72 LEU MD2 2.880 . 3.960 3.082 2.887 3.233 . 0 0 "[ . 1 . 2]" 1
137 1 71 THR H 1 72 LEU MD2 3.180 . 4.560 4.782 4.672 4.869 0.309 7 0 "[ . 1 . 2]" 1
138 1 44 ILE MD 1 72 LEU MD2 3.220 . 4.640 4.296 3.376 4.776 0.136 18 0 "[ . 1 . 2]" 1
139 1 15 ALA MB 1 16 LEU MD1 3.550 . 5.300 4.299 4.110 4.478 . 0 0 "[ . 1 . 2]" 1
140 1 16 LEU MD2 1 17 LEU H 3.560 . 5.320 4.774 4.700 4.819 . 0 0 "[ . 1 . 2]" 1
141 1 115 VAL H 1 115 VAL MG2 2.860 . 3.920 2.190 1.876 3.872 . 0 0 "[ . 1 . 2]" 1
142 1 118 ALA H 1 118 ALA MB 2.810 . 3.820 2.592 2.248 3.034 . 0 0 "[ . 1 . 2]" 1
143 1 105 ALA MB 1 106 TYR H 3.190 . 4.580 2.525 2.356 2.733 . 0 0 "[ . 1 . 2]" 1
144 1 115 VAL H 1 115 VAL MG1 2.860 . 3.920 2.736 2.037 3.889 . 0 0 "[ . 1 . 2]" 1
145 1 52 THR MG 1 115 VAL MG1 3.560 . 5.320 3.368 2.255 4.680 . 0 0 "[ . 1 . 2]" 1
146 1 7 PHE HZ 1 114 LEU MD2 3.380 . 4.950 2.903 1.864 3.943 . 0 0 "[ . 1 . 2]" 1
147 1 112 MET ME 1 113 LEU MD1 3.230 . 4.660 4.026 2.552 4.828 0.168 17 0 "[ . 1 . 2]" 1
148 1 8 ILE MD 1 9 ASN H 3.330 . 4.860 4.581 4.460 4.784 . 0 0 "[ . 1 . 2]" 1
149 1 5 VAL MG2 1 60 ILE MD 3.570 . 5.340 4.811 4.361 5.338 . 0 0 "[ . 1 . 2]" 1
150 1 4 THR MG 1 60 ILE MD 3.060 . 4.320 1.907 1.734 2.229 0.066 10 0 "[ . 1 . 2]" 1
151 1 56 ILE MD 1 113 LEU MD1 2.930 . 4.070 3.105 2.004 4.177 0.107 15 0 "[ . 1 . 2]" 1
152 1 68 ILE MD 1 109 LEU MD2 3.080 . 4.360 2.246 1.766 2.609 0.034 8 0 "[ . 1 . 2]" 1
153 1 71 THR MG 1 72 LEU MD1 3.430 . 5.060 4.495 4.047 5.280 0.220 9 0 "[ . 1 . 2]" 1
154 1 8 ILE MD 1 64 VAL MG1 4.110 . 6.420 5.465 5.038 5.806 . 0 0 "[ . 1 . 2]" 1
155 1 21 LEU MD1 1 33 LEU MD2 3.150 . 4.500 3.615 3.341 4.031 . 0 0 "[ . 1 . 2]" 1
156 1 24 LEU MD2 1 33 LEU MD1 2.950 . 4.100 4.121 3.842 4.249 0.149 15 0 "[ . 1 . 2]" 1
157 1 24 LEU MD2 1 32 LEU MD1 3.090 . 4.380 1.895 1.788 2.088 0.012 15 0 "[ . 1 . 2]" 1
158 1 14 ILE MD 1 102 LEU MD1 3.070 . 4.340 3.571 2.719 4.206 . 0 0 "[ . 1 . 2]" 1
159 1 14 ILE MD 1 102 LEU MD2 3.620 . 5.440 3.340 2.413 4.822 . 0 0 "[ . 1 . 2]" 1
160 1 112 MET ME 1 113 LEU MD2 3.230 . 4.660 4.130 2.851 4.949 0.289 18 0 "[ . 1 . 2]" 1
161 1 65 ALA MB 1 68 ILE MD 3.560 . 5.320 3.233 3.107 3.503 . 0 0 "[ . 1 . 2]" 1
162 1 72 LEU MD2 1 102 LEU MD2 2.580 . 3.360 2.154 1.869 2.679 . 0 0 "[ . 1 . 2]" 1
163 1 71 THR MG 1 72 LEU MD2 2.880 . 3.960 2.858 2.506 4.165 0.205 9 0 "[ . 1 . 2]" 1
164 1 4 THR MG 1 8 ILE MD 3.610 . 5.420 2.306 2.030 2.713 . 0 0 "[ . 1 . 2]" 1
165 1 44 ILE MD 1 48 MET ME 3.690 . 5.580 3.111 2.687 3.703 . 0 0 "[ . 1 . 2]" 1
166 1 65 ALA MB 1 109 LEU MD2 3.470 . 5.140 1.877 1.741 2.047 0.059 2 0 "[ . 1 . 2]" 1
167 1 5 VAL MG1 1 8 ILE MD 3.530 . 5.260 4.231 3.722 4.722 . 0 0 "[ . 1 . 2]" 1
168 1 33 LEU MD1 1 78 LEU MD2 2.930 . 4.060 3.851 3.654 4.016 . 0 0 "[ . 1 . 2]" 1
169 1 33 LEU MD2 1 78 LEU MD2 2.740 . 3.680 2.394 2.157 2.613 . 0 0 "[ . 1 . 2]" 1
170 1 33 LEU MD2 1 82 LEU MD2 2.940 . 4.080 3.244 2.283 3.866 . 0 0 "[ . 1 . 2]" 1
171 1 33 LEU MD2 1 89 LEU MD2 3.440 . 5.080 3.217 2.178 4.493 . 0 0 "[ . 1 . 2]" 1
172 1 21 LEU MD2 1 25 ALA MB 3.820 . 5.840 4.954 4.745 5.167 . 0 0 "[ . 1 . 2]" 1
173 1 24 LEU MD1 1 25 ALA MB 4.080 . 6.360 5.377 5.047 5.571 . 0 0 "[ . 1 . 2]" 1
174 1 44 ILE MD 1 47 VAL MG2 4.190 . 6.580 5.357 4.634 5.838 . 0 0 "[ . 1 . 2]" 1
175 1 15 ALA MB 1 71 THR MG 3.460 . 5.120 3.485 3.200 3.619 . 0 0 "[ . 1 . 2]" 1
176 1 1 MET ME 1 4 THR MG 3.360 . 4.920 2.613 2.203 3.024 . 0 0 "[ . 1 . 2]" 1
177 1 97 THR MG 1 102 LEU MD1 3.600 . 5.400 5.122 3.785 5.695 0.295 8 0 "[ . 1 . 2]" 1
178 1 21 LEU MD1 1 89 LEU MD2 3.070 . 4.340 3.746 2.710 4.492 0.152 13 0 "[ . 1 . 2]" 1
179 1 24 LEU MD1 1 32 LEU MD1 2.650 . 3.500 2.448 2.210 3.171 . 0 0 "[ . 1 . 2]" 1
180 1 21 LEU MD2 1 24 LEU MD1 2.410 . 3.020 2.565 2.091 3.052 0.032 15 0 "[ . 1 . 2]" 1
181 1 4 THR MG 1 5 VAL MG2 3.000 . 4.200 3.915 3.682 4.222 0.022 18 0 "[ . 1 . 2]" 1
182 1 5 VAL MG2 1 8 ILE MD 3.360 . 4.920 3.710 3.383 4.070 . 0 0 "[ . 1 . 2]" 1
183 1 22 LEU MD2 1 77 LEU MD2 3.620 . 5.440 4.438 4.072 4.735 . 0 0 "[ . 1 . 2]" 1
184 1 22 LEU MD2 1 78 LEU MD2 3.950 . 6.100 4.434 4.248 4.570 . 0 0 "[ . 1 . 2]" 1
185 1 60 ILE MD 1 63 MET ME 3.010 . 4.220 3.879 3.504 4.132 . 0 0 "[ . 1 . 2]" 1
186 1 72 LEU MD1 1 102 LEU MD2 3.570 . 5.340 4.086 3.223 4.699 . 0 0 "[ . 1 . 2]" 1
187 1 24 LEU MD2 1 32 LEU MD2 3.290 . 4.780 4.295 4.018 4.512 . 0 0 "[ . 1 . 2]" 1
188 1 21 LEU MD2 1 78 LEU MD1 3.020 . 4.240 4.079 3.896 4.172 . 0 0 "[ . 1 . 2]" 1
189 1 47 VAL MG1 1 105 ALA MB 3.750 . 5.700 4.981 4.196 5.704 0.004 9 0 "[ . 1 . 2]" 1
190 1 47 VAL MG2 1 48 MET ME 3.970 . 6.140 5.332 5.001 5.590 . 0 0 "[ . 1 . 2]" 1
191 1 4 THR MG 1 5 VAL MG1 3.820 . 5.840 5.309 5.122 5.568 . 0 0 "[ . 1 . 2]" 1
192 1 32 LEU MD1 1 33 LEU MD1 3.540 . 5.280 4.369 4.165 4.664 . 0 0 "[ . 1 . 2]" 1
193 1 5 VAL H 1 6 GLU H 2.780 . 3.760 2.638 2.514 2.733 . 0 0 "[ . 1 . 2]" 1
194 1 6 GLU H 1 7 PHE H 2.640 . 3.480 2.678 2.507 2.805 . 0 0 "[ . 1 . 2]" 1
195 1 5 VAL H 1 7 PHE H 3.310 . 4.820 3.963 3.840 4.069 . 0 0 "[ . 1 . 2]" 1
196 1 7 PHE H 1 10 ARG H 3.560 . 5.320 4.670 4.470 4.849 . 0 0 "[ . 1 . 2]" 1
197 1 7 PHE H 1 8 ILE H 2.580 . 3.360 2.791 2.635 3.028 . 0 0 "[ . 1 . 2]" 1
198 1 8 ILE H 1 9 ASN H 2.600 . 3.400 2.644 2.549 2.743 . 0 0 "[ . 1 . 2]" 1
199 1 6 GLU H 1 9 ASN H 3.710 . 5.620 4.733 4.502 4.945 . 0 0 "[ . 1 . 2]" 1
200 1 9 ASN H 1 10 ARG H 2.670 . 3.540 2.625 2.501 2.731 . 0 0 "[ . 1 . 2]" 1
201 1 9 ASN H 1 11 TRP H 3.630 . 5.460 4.145 3.980 4.326 . 0 0 "[ . 1 . 2]" 1
202 1 6 GLU H 1 10 ARG H 4.170 . 6.540 6.039 5.946 6.196 . 0 0 "[ . 1 . 2]" 1
203 1 8 ILE H 1 10 ARG H 3.340 . 4.880 4.060 3.891 4.375 . 0 0 "[ . 1 . 2]" 1
204 1 10 ARG H 1 12 GLN H 3.240 . 4.680 3.797 3.646 4.018 . 0 0 "[ . 1 . 2]" 1
205 1 10 ARG H 1 13 ARG H 3.640 . 5.480 4.529 4.304 4.765 . 0 0 "[ . 1 . 2]" 1
206 1 10 ARG H 1 11 TRP H 2.760 . 3.720 2.566 2.408 2.785 . 0 0 "[ . 1 . 2]" 1
207 1 11 TRP H 1 12 GLN H 2.820 . 3.840 2.617 2.543 2.691 . 0 0 "[ . 1 . 2]" 1
208 1 11 TRP H 1 14 ILE H 3.630 . 5.460 4.780 4.624 4.902 . 0 0 "[ . 1 . 2]" 1
209 1 9 ASN H 1 12 GLN H 3.680 . 5.560 4.541 4.324 4.646 . 0 0 "[ . 1 . 2]" 1
210 1 11 TRP H 1 13 ARG H 3.410 . 5.020 4.074 3.837 4.302 . 0 0 "[ . 1 . 2]" 1
211 1 12 GLN H 1 13 ARG H 2.800 . 3.800 2.564 2.461 2.662 . 0 0 "[ . 1 . 2]" 1
212 1 13 ARG H 1 14 ILE H 2.840 . 3.880 2.844 2.751 2.973 . 0 0 "[ . 1 . 2]" 1
213 1 13 ARG H 1 16 LEU H 3.700 . 5.600 4.819 4.676 5.000 . 0 0 "[ . 1 . 2]" 1
214 1 12 GLN H 1 14 ILE H 3.290 . 4.780 4.229 4.031 4.382 . 0 0 "[ . 1 . 2]" 1
215 1 14 ILE H 1 17 LEU H 3.570 . 5.340 4.791 4.645 4.972 . 0 0 "[ . 1 . 2]" 1
216 1 14 ILE H 1 16 LEU H 3.250 . 4.700 4.220 4.060 4.399 . 0 0 "[ . 1 . 2]" 1
217 1 15 ALA H 1 16 LEU H 2.920 . 4.040 2.722 2.650 2.761 . 0 0 "[ . 1 . 2]" 1
218 1 16 LEU H 1 17 LEU H 2.900 . 4.000 2.537 2.430 2.686 . 0 0 "[ . 1 . 2]" 1
219 1 16 LEU H 1 18 SER H 3.290 . 4.780 4.190 4.045 4.323 . 0 0 "[ . 1 . 2]" 1
220 1 17 LEU H 1 18 SER H 3.350 . 4.900 2.734 2.585 2.814 . 0 0 "[ . 1 . 2]" 1
221 1 18 SER H 1 20 SER H 3.290 . 4.780 4.179 3.919 4.363 . 0 0 "[ . 1 . 2]" 1
222 1 18 SER H 1 21 LEU H 3.570 . 5.340 4.640 4.536 4.706 . 0 0 "[ . 1 . 2]" 1
223 1 16 LEU H 1 19 GLN H 3.700 . 5.600 4.643 4.524 4.820 . 0 0 "[ . 1 . 2]" 1
224 1 18 SER H 1 19 GLN H 3.480 . 5.160 2.665 2.562 2.746 . 0 0 "[ . 1 . 2]" 1
225 1 17 LEU H 1 20 SER H 3.690 . 5.580 4.679 4.515 4.890 . 0 0 "[ . 1 . 2]" 1
226 1 19 GLN H 1 20 SER H 2.970 . 4.140 2.737 2.614 2.824 . 0 0 "[ . 1 . 2]" 1
227 1 19 GLN H 1 21 LEU H 3.420 . 5.040 4.128 3.869 4.381 . 0 0 "[ . 1 . 2]" 1
228 1 20 SER H 1 21 LEU H 2.890 . 3.980 2.729 2.556 2.855 . 0 0 "[ . 1 . 2]" 1
229 1 21 LEU H 1 22 LEU H 3.070 . 4.340 2.620 2.435 2.757 . 0 0 "[ . 1 . 2]" 1
230 1 20 SER H 1 22 LEU H 3.290 . 4.780 4.077 3.935 4.260 . 0 0 "[ . 1 . 2]" 1
231 1 22 LEU H 1 24 LEU H 3.300 . 4.800 4.115 3.939 4.349 . 0 0 "[ . 1 . 2]" 1
232 1 22 LEU H 1 25 ALA H 3.590 . 5.380 4.625 4.498 4.804 . 0 0 "[ . 1 . 2]" 1
233 1 21 LEU H 1 23 GLU H 3.540 . 5.280 4.428 4.123 4.652 . 0 0 "[ . 1 . 2]" 1
234 1 22 LEU H 1 23 GLU H 2.900 . 4.000 2.701 2.572 2.829 . 0 0 "[ . 1 . 2]" 1
235 1 23 GLU H 1 24 LEU H 2.810 . 3.820 2.811 2.726 2.968 . 0 0 "[ . 1 . 2]" 1
236 1 24 LEU H 1 25 ALA H 2.970 . 4.140 2.725 2.580 2.905 . 0 0 "[ . 1 . 2]" 1
237 1 23 GLU H 1 25 ALA H 3.450 . 5.100 4.256 4.117 4.435 . 0 0 "[ . 1 . 2]" 1
238 1 23 GLU H 1 26 GLN H 3.610 . 5.420 4.936 4.845 5.005 . 0 0 "[ . 1 . 2]" 1
239 1 24 LEU H 1 26 GLN H 3.450 . 5.100 4.259 4.100 4.418 . 0 0 "[ . 1 . 2]" 1
240 1 25 ALA H 1 26 GLN H 2.900 . 4.000 2.709 2.605 2.784 . 0 0 "[ . 1 . 2]" 1
241 1 26 GLN H 1 27 ARG H 2.810 . 3.820 2.611 2.534 2.712 . 0 0 "[ . 1 . 2]" 1
242 1 26 GLN H 1 29 GLU H 3.860 . 5.920 5.329 5.079 5.506 . 0 0 "[ . 1 . 2]" 1
243 1 24 LEU H 1 27 ARG H 3.650 . 5.500 4.675 4.564 4.908 . 0 0 "[ . 1 . 2]" 1
244 1 25 ALA H 1 27 ARG H 3.280 . 4.760 3.963 3.816 4.218 . 0 0 "[ . 1 . 2]" 1
245 1 27 ARG H 1 29 GLU H 3.050 . 4.300 3.773 3.590 3.973 . 0 0 "[ . 1 . 2]" 1
246 1 25 ALA H 1 28 GLY H 3.510 . 5.220 4.805 4.548 5.113 . 0 0 "[ . 1 . 2]" 1
247 1 26 GLN H 1 28 GLY H 3.220 . 4.640 3.945 3.769 4.112 . 0 0 "[ . 1 . 2]" 1
248 1 25 ALA H 1 29 GLU H 3.640 . 5.480 4.947 4.629 5.097 . 0 0 "[ . 1 . 2]" 1
249 1 28 GLY H 1 29 GLU H 2.700 . 3.600 2.426 2.213 2.582 . 0 0 "[ . 1 . 2]" 1
250 1 29 GLU H 1 31 ASP H 4.030 . 6.260 5.586 5.349 5.862 . 0 0 "[ . 1 . 2]" 1
251 1 28 GLY H 1 30 TRP H 3.530 . 5.260 5.003 4.702 5.334 0.074 10 0 "[ . 1 . 2]" 1
252 1 29 GLU H 1 30 TRP H 3.120 . 4.440 3.551 3.374 3.786 . 0 0 "[ . 1 . 2]" 1
253 1 30 TRP H 1 31 ASP H 2.780 . 3.760 2.632 2.519 2.843 . 0 0 "[ . 1 . 2]" 1
254 1 30 TRP H 1 32 LEU H 3.510 . 5.220 4.354 4.152 4.562 . 0 0 "[ . 1 . 2]" 1
255 1 31 ASP H 1 32 LEU H 2.850 . 3.900 2.763 2.663 2.875 . 0 0 "[ . 1 . 2]" 1
256 1 32 LEU H 1 33 LEU H 2.760 . 3.720 2.641 2.548 2.726 . 0 0 "[ . 1 . 2]" 1
257 1 30 TRP H 1 33 LEU H 3.640 . 5.480 4.999 4.803 5.142 . 0 0 "[ . 1 . 2]" 1
258 1 31 ASP H 1 33 LEU H 3.250 . 4.700 4.116 3.929 4.287 . 0 0 "[ . 1 . 2]" 1
259 1 33 LEU H 1 35 GLN H 3.300 . 4.800 4.120 3.875 4.336 . 0 0 "[ . 1 . 2]" 1
260 1 32 LEU H 1 35 GLN H 3.580 . 5.360 4.791 4.635 4.932 . 0 0 "[ . 1 . 2]" 1
261 1 34 LEU H 1 35 GLN H 2.760 . 3.720 2.694 2.545 2.857 . 0 0 "[ . 1 . 2]" 1
262 1 35 GLN H 1 36 GLN H 2.820 . 3.840 2.629 2.331 2.771 . 0 0 "[ . 1 . 2]" 1
263 1 35 GLN H 1 37 GLU H 3.010 . 4.220 3.780 3.551 4.022 . 0 0 "[ . 1 . 2]" 1
264 1 34 LEU H 1 36 GLN H 3.530 . 5.260 4.321 3.996 4.587 . 0 0 "[ . 1 . 2]" 1
265 1 36 GLN H 1 37 GLU H 3.160 . 4.520 2.576 2.376 2.763 . 0 0 "[ . 1 . 2]" 1
266 1 37 GLU H 1 38 VAL H 3.140 . 4.480 3.013 2.767 3.248 . 0 0 "[ . 1 . 2]" 1
267 1 37 GLU H 1 39 SER H 3.520 . 5.240 4.463 4.244 4.699 . 0 0 "[ . 1 . 2]" 1
268 1 37 GLU H 1 40 TYR H 3.630 . 5.460 4.805 4.703 4.990 . 0 0 "[ . 1 . 2]" 1
269 1 36 GLN H 1 38 VAL H 3.890 . 5.980 4.932 4.570 5.236 . 0 0 "[ . 1 . 2]" 1
270 1 38 VAL H 1 39 SER H 3.140 . 4.480 2.768 2.622 2.905 . 0 0 "[ . 1 . 2]" 1
271 1 38 VAL H 1 40 TYR H 3.550 . 5.300 4.195 3.987 4.539 . 0 0 "[ . 1 . 2]" 1
272 1 38 VAL H 1 41 LEU H 3.770 . 5.740 4.875 4.714 4.981 . 0 0 "[ . 1 . 2]" 1
273 1 38 VAL H 1 42 GLN H 4.150 . 6.500 6.009 5.781 6.202 . 0 0 "[ . 1 . 2]" 1
274 1 36 GLN H 1 39 SER H 4.170 . 6.540 5.606 5.231 5.886 . 0 0 "[ . 1 . 2]" 1
275 1 39 SER H 1 40 TYR H 3.370 . 4.940 2.660 2.556 2.874 . 0 0 "[ . 1 . 2]" 1
276 1 40 TYR H 1 44 ILE H 4.200 . 6.600 6.099 5.943 6.209 . 0 0 "[ . 1 . 2]" 1
277 1 39 SER H 1 41 LEU H 3.660 . 5.520 4.297 4.038 4.486 . 0 0 "[ . 1 . 2]" 1
278 1 40 TYR H 1 41 LEU H 3.000 . 4.200 2.652 2.455 2.826 . 0 0 "[ . 1 . 2]" 1
279 1 41 LEU H 1 42 GLN H 2.860 . 3.920 2.664 2.490 2.821 . 0 0 "[ . 1 . 2]" 1
280 1 41 LEU H 1 43 SER H 3.490 . 5.180 4.173 3.913 4.429 . 0 0 "[ . 1 . 2]" 1
281 1 39 SER H 1 42 GLN H 3.530 . 5.260 4.824 4.580 4.962 . 0 0 "[ . 1 . 2]" 1
282 1 40 TYR H 1 42 GLN H 3.150 . 4.510 4.151 3.892 4.418 . 0 0 "[ . 1 . 2]" 1
283 1 42 GLN H 1 43 SER H 2.710 . 3.620 2.775 2.640 2.909 . 0 0 "[ . 1 . 2]" 1
284 1 42 GLN H 1 44 ILE H 3.240 . 4.680 4.469 4.164 4.674 . 0 0 "[ . 1 . 2]" 1
285 1 40 TYR H 1 43 SER H 3.500 . 5.200 4.747 4.528 4.975 . 0 0 "[ . 1 . 2]" 1
286 1 41 LEU H 1 44 ILE H 3.690 . 5.580 4.877 4.664 5.041 . 0 0 "[ . 1 . 2]" 1
287 1 43 SER H 1 44 ILE H 2.790 . 3.780 2.856 2.719 2.975 . 0 0 "[ . 1 . 2]" 1
288 1 44 ILE H 1 45 GLU H 2.790 . 3.780 2.732 2.620 2.849 . 0 0 "[ . 1 . 2]" 1
289 1 44 ILE H 1 47 VAL H 3.600 . 5.400 4.839 4.711 4.972 . 0 0 "[ . 1 . 2]" 1
290 1 43 SER H 1 45 GLU H 3.250 . 4.700 4.340 4.060 4.607 . 0 0 "[ . 1 . 2]" 1
291 1 44 ILE H 1 46 THR H 3.630 . 5.460 4.248 4.016 4.456 . 0 0 "[ . 1 . 2]" 1
292 1 45 GLU H 1 46 THR H 2.810 . 3.820 2.759 2.613 2.859 . 0 0 "[ . 1 . 2]" 1
293 1 45 GLU H 1 47 VAL H 3.150 . 4.510 4.159 3.979 4.394 . 0 0 "[ . 1 . 2]" 1
294 1 46 THR H 1 47 VAL H 2.950 . 4.100 2.764 2.648 2.825 . 0 0 "[ . 1 . 2]" 1
295 1 47 VAL H 1 49 GLU H 3.350 . 4.900 3.953 3.516 4.212 . 0 0 "[ . 1 . 2]" 1
296 1 46 THR H 1 48 MET H 3.500 . 5.200 4.374 4.201 4.531 . 0 0 "[ . 1 . 2]" 1
297 1 47 VAL H 1 48 MET H 2.630 . 3.460 2.626 2.461 2.726 . 0 0 "[ . 1 . 2]" 1
298 1 46 THR H 1 49 GLU H 3.690 . 5.580 4.839 4.564 4.985 . 0 0 "[ . 1 . 2]" 1
299 1 48 MET H 1 49 GLU H 2.750 . 3.700 2.605 2.487 2.696 . 0 0 "[ . 1 . 2]" 1
300 1 48 MET H 1 50 LYS H 3.060 . 4.320 4.005 3.775 4.287 . 0 0 "[ . 1 . 2]" 1
301 1 49 GLU H 1 50 LYS H 2.630 . 3.460 2.438 2.232 2.619 . 0 0 "[ . 1 . 2]" 1
302 1 50 LYS H 1 51 GLN H 3.460 . 5.120 4.546 4.462 4.599 . 0 0 "[ . 1 . 2]" 1
303 1 57 THR H 1 61 GLN H 3.470 . 5.140 4.309 3.880 4.989 . 0 0 "[ . 1 . 2]" 1
304 1 57 THR H 1 60 ILE H 3.220 . 4.640 3.824 3.258 4.999 0.359 20 0 "[ . 1 . 2]" 1
305 1 60 ILE H 1 61 GLN H 2.930 . 4.060 2.648 2.371 2.773 . 0 0 "[ . 1 . 2]" 1
306 1 60 ILE H 1 62 ASP H 3.620 . 5.440 4.149 3.997 4.372 . 0 0 "[ . 1 . 2]" 1
307 1 61 GLN H 1 62 ASP H 2.850 . 3.900 2.708 2.573 2.858 . 0 0 "[ . 1 . 2]" 1
308 1 60 ILE H 1 63 MET H 3.620 . 5.440 4.791 4.641 4.894 . 0 0 "[ . 1 . 2]" 1
309 1 61 GLN H 1 63 MET H 3.230 . 4.660 4.229 4.093 4.379 . 0 0 "[ . 1 . 2]" 1
310 1 62 ASP H 1 63 MET H 2.630 . 3.460 2.672 2.570 2.777 . 0 0 "[ . 1 . 2]" 1
311 1 63 MET H 1 64 VAL H 2.810 . 3.820 2.726 2.573 2.900 . 0 0 "[ . 1 . 2]" 1
312 1 61 GLN H 1 64 VAL H 3.700 . 5.600 4.887 4.734 4.998 . 0 0 "[ . 1 . 2]" 1
313 1 64 VAL H 1 66 GLY H 3.450 . 5.100 4.022 3.759 4.318 . 0 0 "[ . 1 . 2]" 1
314 1 63 MET H 1 65 ALA H 3.420 . 5.040 4.408 4.196 4.660 . 0 0 "[ . 1 . 2]" 1
315 1 64 VAL H 1 65 ALA H 3.170 . 4.540 2.902 2.770 3.026 . 0 0 "[ . 1 . 2]" 1
316 1 65 ALA H 1 66 GLY H 3.080 . 4.360 2.685 2.613 2.766 . 0 0 "[ . 1 . 2]" 1
317 1 65 ALA H 1 68 ILE H 3.620 . 5.440 4.680 4.560 4.824 . 0 0 "[ . 1 . 2]" 1
318 1 64 VAL H 1 67 TYR H 3.650 . 5.500 4.726 4.613 4.812 . 0 0 "[ . 1 . 2]" 1
319 1 65 ALA H 1 67 TYR H 3.360 . 4.920 4.259 4.185 4.461 . 0 0 "[ . 1 . 2]" 1
320 1 66 GLY H 1 67 TYR H 2.970 . 4.140 2.671 2.549 2.794 . 0 0 "[ . 1 . 2]" 1
321 1 67 TYR H 1 68 ILE H 3.000 . 4.200 2.587 2.513 2.673 . 0 0 "[ . 1 . 2]" 1
322 1 68 ILE H 1 69 LYS H 3.120 . 4.440 2.708 2.517 2.826 . 0 0 "[ . 1 . 2]" 1
323 1 68 ILE H 1 71 THR H 3.550 . 5.300 4.802 4.644 4.975 . 0 0 "[ . 1 . 2]" 1
324 1 66 GLY H 1 69 LYS H 3.730 . 5.660 4.762 4.499 5.072 . 0 0 "[ . 1 . 2]" 1
325 1 67 TYR H 1 69 LYS H 3.390 . 4.980 4.222 3.948 4.493 . 0 0 "[ . 1 . 2]" 1
326 1 69 LYS H 1 71 THR H 3.610 . 5.420 4.343 4.146 4.498 . 0 0 "[ . 1 . 2]" 1
327 1 69 LYS H 1 72 LEU H 3.620 . 5.440 4.750 4.606 4.904 . 0 0 "[ . 1 . 2]" 1
328 1 71 THR H 1 73 ASP H 3.480 . 5.160 4.169 3.837 4.501 . 0 0 "[ . 1 . 2]" 1
329 1 71 THR H 1 75 GLU H 4.100 . 6.400 5.783 5.668 5.990 . 0 0 "[ . 1 . 2]" 1
330 1 71 THR H 1 72 LEU H 3.140 . 4.480 2.488 2.373 2.645 . 0 0 "[ . 1 . 2]" 1
331 1 75 GLU H 1 76 GLN H 2.720 . 3.640 2.703 2.549 2.941 . 0 0 "[ . 1 . 2]" 1
332 1 73 ASP H 1 75 GLU H 3.400 . 5.000 4.244 3.773 4.668 . 0 0 "[ . 1 . 2]" 1
333 1 75 GLU H 1 78 LEU H 3.550 . 5.300 4.761 4.610 4.893 . 0 0 "[ . 1 . 2]" 1
334 1 76 GLN H 1 78 LEU H 3.270 . 4.740 4.129 3.819 4.578 . 0 0 "[ . 1 . 2]" 1
335 1 78 LEU H 1 81 LEU H 3.560 . 5.320 4.654 4.538 4.795 . 0 0 "[ . 1 . 2]" 1
336 1 77 LEU H 1 79 LYS H 3.460 . 5.120 4.174 3.834 4.689 . 0 0 "[ . 1 . 2]" 1
337 1 78 LEU H 1 79 LYS H 3.010 . 4.220 2.810 2.659 2.956 . 0 0 "[ . 1 . 2]" 1
338 1 79 LYS H 1 81 LEU H 3.270 . 4.740 3.966 3.701 4.251 . 0 0 "[ . 1 . 2]" 1
339 1 79 LYS H 1 82 LEU H 4.010 . 6.220 4.723 4.538 4.989 . 0 0 "[ . 1 . 2]" 1
340 1 77 LEU H 1 80 GLY H 3.590 . 5.380 4.718 4.530 4.897 . 0 0 "[ . 1 . 2]" 1
341 1 78 LEU H 1 80 GLY H 3.240 . 4.680 4.202 3.902 4.475 . 0 0 "[ . 1 . 2]" 1
342 1 79 LYS H 1 80 GLY H 3.070 . 4.340 2.624 2.453 2.744 . 0 0 "[ . 1 . 2]" 1
343 1 80 GLY H 1 81 LEU H 3.060 . 4.320 2.595 2.484 2.690 . 0 0 "[ . 1 . 2]" 1
344 1 80 GLY H 1 82 LEU H 3.330 . 4.860 4.164 3.914 4.621 . 0 0 "[ . 1 . 2]" 1
345 1 81 LEU H 1 82 LEU H 3.150 . 4.500 2.548 2.351 2.717 . 0 0 "[ . 1 . 2]" 1
346 1 82 LEU H 1 83 GLN H 2.900 . 4.000 2.745 2.457 3.110 . 0 0 "[ . 1 . 2]" 1
347 1 83 GLN H 1 84 GLN H 3.020 . 4.240 2.328 1.752 3.275 0.048 1 0 "[ . 1 . 2]" 1
348 1 82 LEU H 1 84 GLN H 3.310 . 4.820 4.396 3.398 5.001 0.181 17 0 "[ . 1 . 2]" 1
349 1 84 GLN H 1 85 ARG H 3.530 . 5.260 3.564 2.567 4.532 . 0 0 "[ . 1 . 2]" 1
350 1 94 GLY H 1 95 GLN H 3.340 . 4.880 3.539 1.780 4.588 0.020 20 0 "[ . 1 . 2]" 1
351 1 55 GLY H 1 56 ILE H 2.960 . 4.120 3.894 3.374 4.076 . 0 0 "[ . 1 . 2]" 1
352 1 56 ILE H 1 57 THR H 3.390 . 4.980 3.909 2.041 4.526 . 0 0 "[ . 1 . 2]" 1
353 1 12 GLN H 1 15 ALA H 3.720 . 5.640 4.774 4.639 4.872 . 0 0 "[ . 1 . 2]" 1
354 1 13 ARG H 1 15 ALA H 3.420 . 5.040 4.300 4.154 4.485 . 0 0 "[ . 1 . 2]" 1
355 1 14 ILE H 1 15 ALA H 3.150 . 4.500 2.697 2.617 2.807 . 0 0 "[ . 1 . 2]" 1
356 1 15 ALA H 1 17 LEU H 3.500 . 5.200 4.256 4.108 4.398 . 0 0 "[ . 1 . 2]" 1
357 1 15 ALA H 1 18 SER H 3.720 . 5.640 4.943 4.816 5.059 . 0 0 "[ . 1 . 2]" 1
358 1 105 ALA H 1 106 TYR H 2.950 . 4.100 2.722 2.620 2.806 . 0 0 "[ . 1 . 2]" 1
359 1 105 ALA H 1 108 ARG H 3.710 . 5.620 4.805 4.588 5.049 . 0 0 "[ . 1 . 2]" 1
360 1 59 SER H 1 62 ASP H 3.620 . 5.440 4.811 4.702 4.934 . 0 0 "[ . 1 . 2]" 1
361 1 66 GLY H 1 68 ILE H 3.490 . 5.180 4.026 3.804 4.210 . 0 0 "[ . 1 . 2]" 1
362 1 109 LEU H 1 111 GLY H 3.240 . 4.680 3.940 3.570 4.293 . 0 0 "[ . 1 . 2]" 1
363 1 110 SER H 1 111 GLY H 2.950 . 4.100 2.560 2.311 2.760 . 0 0 "[ . 1 . 2]" 1
364 1 111 GLY H 1 113 LEU H 3.530 . 5.260 4.661 4.436 4.842 . 0 0 "[ . 1 . 2]" 1
365 1 107 GLY H 1 110 SER H 3.780 . 5.760 4.751 4.647 4.887 . 0 0 "[ . 1 . 2]" 1
366 1 109 LEU H 1 110 SER H 3.020 . 4.240 2.576 2.451 2.778 . 0 0 "[ . 1 . 2]" 1
367 1 117 ASP H 1 118 ALA H 2.470 . 3.140 2.661 1.840 3.214 0.074 20 0 "[ . 1 . 2]" 1
368 1 32 LEU H 1 34 LEU H 3.480 . 5.160 4.151 4.026 4.459 . 0 0 "[ . 1 . 2]" 1
369 1 34 LEU H 1 37 GLU H 3.530 . 5.260 4.695 4.571 4.870 . 0 0 "[ . 1 . 2]" 1
370 1 105 ALA H 1 107 GLY H 3.400 . 5.000 4.207 3.952 4.621 . 0 0 "[ . 1 . 2]" 1
371 1 106 TYR H 1 108 ARG H 3.330 . 4.860 4.247 3.816 4.672 . 0 0 "[ . 1 . 2]" 1
372 1 107 GLY H 1 108 ARG H 2.760 . 3.720 2.727 2.608 3.011 . 0 0 "[ . 1 . 2]" 1
373 1 108 ARG H 1 109 LEU H 2.760 . 3.720 2.530 2.437 2.703 . 0 0 "[ . 1 . 2]" 1
374 1 108 ARG H 1 111 GLY H 3.500 . 5.200 4.578 4.336 4.895 . 0 0 "[ . 1 . 2]" 1
375 1 107 GLY H 1 109 LEU H 3.450 . 5.100 4.043 3.867 4.240 . 0 0 "[ . 1 . 2]" 1
376 1 98 ARG H 1 99 GLN H 2.950 . 4.100 2.897 2.634 3.129 . 0 0 "[ . 1 . 2]" 1
377 1 76 GLN H 1 77 LEU H 2.970 . 4.140 2.648 2.449 2.788 . 0 0 "[ . 1 . 2]" 1
378 1 76 GLN H 1 79 LYS H 3.720 . 5.640 4.706 4.376 5.047 . 0 0 "[ . 1 . 2]" 1
379 1 106 TYR H 1 107 GLY H 2.800 . 3.800 2.741 2.583 2.882 . 0 0 "[ . 1 . 2]" 1
380 1 113 LEU H 1 115 VAL H 2.380 . 2.970 3.095 2.792 3.316 0.346 11 0 "[ . 1 . 2]" 1
381 1 114 LEU H 1 115 VAL H 2.380 . 2.970 2.789 1.715 3.035 0.075 11 0 "[ . 1 . 2]" 1
382 1 17 LEU H 1 19 GLN H 3.530 . 5.260 4.072 3.820 4.284 . 0 0 "[ . 1 . 2]" 1
383 1 112 MET H 1 113 LEU H 2.700 . 3.600 2.685 2.479 2.829 . 0 0 "[ . 1 . 2]" 1
384 1 109 LEU H 1 112 MET H 3.690 . 5.580 4.949 4.571 5.235 . 0 0 "[ . 1 . 2]" 1
385 1 110 SER H 1 112 MET H 3.480 . 5.160 4.751 4.564 5.026 . 0 0 "[ . 1 . 2]" 1
386 1 111 GLY H 1 112 MET H 2.640 . 3.480 2.798 2.633 3.000 . 0 0 "[ . 1 . 2]" 1
387 1 112 MET H 1 114 LEU H 3.190 . 4.580 3.736 3.398 4.046 . 0 0 "[ . 1 . 2]" 1
388 1 113 LEU H 1 114 LEU H 2.480 . 3.160 1.849 1.582 2.220 0.218 2 0 "[ . 1 . 2]" 1
389 1 75 GLU H 1 77 LEU H 3.260 . 4.730 4.239 3.962 4.438 . 0 0 "[ . 1 . 2]" 1
390 1 77 LEU H 1 78 LEU H 2.920 . 4.040 2.664 2.563 2.835 . 0 0 "[ . 1 . 2]" 1
391 1 25 ALA MB 1 26 GLN H 3.050 . 4.300 2.452 2.329 2.681 . 0 0 "[ . 1 . 2]" 1
392 1 21 LEU H 1 21 LEU MD1 3.250 . 4.700 3.830 3.718 3.936 . 0 0 "[ . 1 . 2]" 1
393 1 21 LEU MD2 1 35 GLN H 3.720 . 5.640 5.245 4.912 5.602 . 0 0 "[ . 1 . 2]" 1
394 1 7 PHE HE1 1 114 LEU QD 3.220 . 4.640 3.579 2.195 4.846 0.206 16 0 "[ . 1 . 2]" 1
395 1 21 LEU MD1 1 89 LEU QD 2.730 . 3.660 2.689 2.039 3.126 . 0 0 "[ . 1 . 2]" 1
396 1 21 LEU MD2 1 89 LEU QD 2.960 . 4.120 3.860 2.838 4.250 0.130 7 0 "[ . 1 . 2]" 1
397 1 22 LEU MD1 1 77 LEU QD 3.270 . 4.740 2.513 2.184 2.884 . 0 0 "[ . 1 . 2]" 1
398 1 22 LEU MD2 1 77 LEU QD 2.970 . 4.140 2.169 1.990 2.482 . 0 0 "[ . 1 . 2]" 1
399 1 25 ALA MB 1 89 LEU QD 3.650 . 5.500 4.651 3.933 5.391 . 0 0 "[ . 1 . 2]" 1
400 1 33 LEU MD2 1 89 LEU QD 2.640 . 3.480 2.523 1.785 3.514 0.034 7 0 "[ . 1 . 2]" 1
401 1 34 LEU QD 1 35 GLN H 3.180 . 4.560 4.182 4.080 4.295 . 0 0 "[ . 1 . 2]" 1
402 1 44 ILE MD 1 92 LEU QD 2.830 . 3.860 2.800 2.020 4.038 0.178 12 0 "[ . 1 . 2]" 1
403 1 48 MET ME 1 92 LEU QD 2.670 . 3.540 2.537 1.774 3.642 0.102 9 0 "[ . 1 . 2]" 1
404 1 52 THR MG 1 113 LEU QD 3.240 . 4.680 3.410 1.939 4.658 . 0 0 "[ . 1 . 2]" 1
405 1 52 THR MG 1 114 LEU QD 3.340 . 4.880 2.534 2.052 3.341 . 0 0 "[ . 1 . 2]" 1
406 1 52 THR MG 1 115 VAL QG 3.150 . 4.500 3.073 2.231 3.895 . 0 0 "[ . 1 . 2]" 1
407 1 56 ILE MD 1 113 LEU QD 2.380 . 2.970 2.569 1.894 3.305 0.335 2 0 "[ . 1 . 2]" 1
408 1 56 ILE MD 1 114 LEU QD 3.930 . 6.050 3.573 1.876 4.681 . 0 0 "[ . 1 . 2]" 1
409 1 56 ILE MD 1 115 VAL QG 4.160 . 6.520 4.346 2.682 6.321 . 0 0 "[ . 1 . 2]" 1
410 1 64 VAL MG2 1 114 LEU QD 3.230 . 4.660 4.161 3.081 4.744 0.084 18 0 "[ . 1 . 2]" 1
411 1 68 ILE MD 1 114 LEU QD 3.180 . 4.560 2.709 1.985 4.371 . 0 0 "[ . 1 . 2]" 1
412 1 77 LEU H 1 77 LEU QD 3.210 . 4.620 3.155 2.991 3.286 . 0 0 "[ . 1 . 2]" 1
413 1 77 LEU QD 1 78 LEU H 3.430 . 5.060 4.128 3.989 4.263 . 0 0 "[ . 1 . 2]" 1
414 1 82 LEU MD1 1 89 LEU QD 2.490 . 3.190 2.170 1.923 2.772 . 0 0 "[ . 1 . 2]" 1
415 1 82 LEU MD2 1 89 LEU QD 2.670 . 3.540 3.316 2.020 3.858 0.318 3 0 "[ . 1 . 2]" 1
416 1 86 LEU QD 1 99 GLN H 3.230 . 4.660 3.707 2.236 4.774 0.114 15 0 "[ . 1 . 2]" 1
417 1 92 LEU QD 1 93 ILE MD 3.480 . 5.160 4.374 3.895 4.818 . 0 0 "[ . 1 . 2]" 1
418 1 92 LEU QD 1 97 THR MG 3.590 . 5.380 3.513 2.006 5.570 0.190 19 0 "[ . 1 . 2]" 1
419 1 92 LEU QD 1 102 LEU MD1 3.410 . 5.020 4.338 3.315 5.121 0.101 6 0 "[ . 1 . 2]" 1
420 1 109 LEU MD1 1 114 LEU QD 2.980 . 4.160 2.459 1.961 2.978 . 0 0 "[ . 1 . 2]" 1
421 1 112 MET ME 1 113 LEU QD 2.900 . 4.000 3.436 2.510 4.324 0.324 18 0 "[ . 1 . 2]" 1
422 1 112 MET ME 1 115 VAL QG 2.970 . 4.140 2.589 1.910 4.252 0.112 10 0 "[ . 1 . 2]" 1
423 1 113 LEU QD 1 114 LEU H 3.530 . 5.260 4.055 3.198 4.535 . 0 0 "[ . 1 . 2]" 1
424 1 113 LEU QD 1 114 LEU QD 3.310 . 4.820 4.471 1.863 5.126 0.306 9 0 "[ . 1 . 2]" 1
425 1 113 LEU QD 1 115 VAL QG 3.240 . 4.680 3.093 1.838 4.446 . 0 0 "[ . 1 . 2]" 1
426 1 114 LEU QD 1 115 VAL QG 3.700 . 5.600 3.800 2.134 4.403 . 0 0 "[ . 1 . 2]" 1
427 1 115 VAL H 1 115 VAL QG 2.590 . 3.380 2.028 1.838 2.401 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 138
_Distance_constraint_stats_list.Viol_count 858
_Distance_constraint_stats_list.Viol_total 636.911
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0235
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.0371
_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 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 THR 0.434 0.076 18 0 "[ . 1 . 2]"
1 3 SER 0.239 0.046 16 0 "[ . 1 . 2]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.361 0.090 20 0 "[ . 1 . 2]"
1 6 GLU 0.481 0.076 18 0 "[ . 1 . 2]"
1 7 PHE 1.688 0.119 1 0 "[ . 1 . 2]"
1 8 ILE 0.024 0.024 2 0 "[ . 1 . 2]"
1 9 ASN 0.631 0.090 20 0 "[ . 1 . 2]"
1 10 ARG 0.744 0.097 1 0 "[ . 1 . 2]"
1 11 TRP 1.892 0.119 1 0 "[ . 1 . 2]"
1 12 GLN 0.050 0.026 8 0 "[ . 1 . 2]"
1 13 ARG 0.638 0.075 9 0 "[ . 1 . 2]"
1 14 ILE 0.849 0.097 1 0 "[ . 1 . 2]"
1 15 ALA 1.861 0.099 3 0 "[ . 1 . 2]"
1 16 LEU 0.052 0.026 8 0 "[ . 1 . 2]"
1 17 LEU 0.367 0.075 9 0 "[ . 1 . 2]"
1 18 SER 0.378 0.053 20 0 "[ . 1 . 2]"
1 19 GLN 2.240 0.099 3 0 "[ . 1 . 2]"
1 20 SER 0.026 0.012 1 0 "[ . 1 . 2]"
1 21 LEU 0.441 0.044 20 0 "[ . 1 . 2]"
1 22 LEU 1.693 0.125 15 0 "[ . 1 . 2]"
1 23 GLU 1.935 0.122 19 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.441 0.044 20 0 "[ . 1 . 2]"
1 26 GLN 1.466 0.125 15 0 "[ . 1 . 2]"
1 27 ARG 1.114 0.122 19 0 "[ . 1 . 2]"
1 30 TRP 0.891 0.073 18 0 "[ . 1 . 2]"
1 31 ASP 0.521 0.077 13 0 "[ . 1 . 2]"
1 33 LEU 0.649 0.075 1 0 "[ . 1 . 2]"
1 34 LEU 0.891 0.073 18 0 "[ . 1 . 2]"
1 35 GLN 0.521 0.077 13 0 "[ . 1 . 2]"
1 36 GLN 0.056 0.056 13 0 "[ . 1 . 2]"
1 37 GLU 0.782 0.091 17 0 "[ . 1 . 2]"
1 38 VAL 0.546 0.058 19 0 "[ . 1 . 2]"
1 39 SER 0.342 0.090 9 0 "[ . 1 . 2]"
1 40 TYR 0.448 0.056 13 0 "[ . 1 . 2]"
1 41 LEU 1.534 0.129 19 0 "[ . 1 . 2]"
1 42 GLN 1.231 0.103 8 0 "[ . 1 . 2]"
1 43 SER 1.153 0.111 15 0 "[ . 1 . 2]"
1 44 ILE 1.919 0.110 8 0 "[ . 1 . 2]"
1 45 GLU 1.638 0.129 19 0 "[ . 1 . 2]"
1 46 THR 0.684 0.103 8 0 "[ . 1 . 2]"
1 47 VAL 0.811 0.111 15 0 "[ . 1 . 2]"
1 48 MET 1.527 0.110 8 0 "[ . 1 . 2]"
1 49 GLU 0.237 0.060 13 0 "[ . 1 . 2]"
1 57 THR 0.517 0.230 9 0 "[ . 1 . 2]"
1 58 ARG 0.527 0.075 18 0 "[ . 1 . 2]"
1 59 SER 0.753 0.079 9 0 "[ . 1 . 2]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.670 0.230 9 0 "[ . 1 . 2]"
1 62 ASP 0.747 0.075 18 0 "[ . 1 . 2]"
1 63 MET 1.280 0.079 9 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 0.152 0.043 10 0 "[ . 1 . 2]"
1 66 GLY 0.822 0.071 9 0 "[ . 1 . 2]"
1 67 TYR 1.050 0.101 9 0 "[ . 1 . 2]"
1 68 ILE 0.046 0.034 3 0 "[ . 1 . 2]"
1 69 LYS 0.368 0.059 20 0 "[ . 1 . 2]"
1 70 GLN 0.739 0.071 9 0 "[ . 1 . 2]"
1 71 THR 1.142 0.101 9 0 "[ . 1 . 2]"
1 72 LEU 0.502 0.095 9 0 "[ . 1 . 2]"
1 73 ASP 0.556 0.076 17 0 "[ . 1 . 2]"
1 74 ASN 1.086 0.116 5 0 "[ . 1 . 2]"
1 75 GLU 0.695 0.090 1 0 "[ . 1 . 2]"
1 76 GLN 0.877 0.095 9 0 "[ . 1 . 2]"
1 77 LEU 0.878 0.089 4 0 "[ . 1 . 2]"
1 78 LEU 1.117 0.116 5 0 "[ . 1 . 2]"
1 79 LYS 0.077 0.035 4 0 "[ . 1 . 2]"
1 80 GLY 0.420 0.091 2 0 "[ . 1 . 2]"
1 81 LEU 0.690 0.089 4 0 "[ . 1 . 2]"
1 82 LEU 0.168 0.079 11 0 "[ . 1 . 2]"
1 98 ARG 1.540 0.172 12 0 "[ . 1 . 2]"
1 99 GLN 0.959 0.105 9 0 "[ . 1 . 2]"
1 100 LYS 0.244 0.083 1 0 "[ . 1 . 2]"
1 101 SER 0.097 0.034 16 0 "[ . 1 . 2]"
1 102 LEU 2.086 0.172 12 0 "[ . 1 . 2]"
1 103 ASN 1.618 0.105 9 0 "[ . 1 . 2]"
1 104 ASN 0.295 0.083 1 0 "[ . 1 . 2]"
1 105 ALA 0.677 0.081 20 0 "[ . 1 . 2]"
1 106 TYR 0.686 0.076 13 0 "[ . 1 . 2]"
1 107 GLY 1.343 0.104 13 0 "[ . 1 . 2]"
1 108 ARG 0.244 0.071 8 0 "[ . 1 . 2]"
1 109 LEU 0.581 0.081 20 0 "[ . 1 . 2]"
1 110 SER 0.140 0.045 17 0 "[ . 1 . 2]"
1 111 GLY 0.684 0.086 8 0 "[ . 1 . 2]"
1 112 MET 0.194 0.071 8 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 1 MET O 1 5 VAL H 1.900 . 2.100 2.010 1.945 2.094 . 0 0 "[ . 1 . 2]" 2
2 1 1 MET O 1 5 VAL N 2.900 2.700 3.100 2.928 2.818 3.044 . 0 0 "[ . 1 . 2]" 2
3 1 2 THR O 1 6 GLU H 1.900 . 2.100 2.082 1.954 2.176 0.076 18 0 "[ . 1 . 2]" 2
4 1 2 THR O 1 6 GLU N 2.900 2.700 3.100 3.029 2.896 3.156 0.056 20 0 "[ . 1 . 2]" 2
5 1 3 SER O 1 7 PHE H 1.900 . 2.100 2.105 2.066 2.146 0.046 16 0 "[ . 1 . 2]" 2
6 1 3 SER O 1 7 PHE N 2.900 2.700 3.100 2.955 2.844 3.041 . 0 0 "[ . 1 . 2]" 2
7 1 4 THR O 1 8 ILE H 1.900 . 2.100 1.983 1.923 2.079 . 0 0 "[ . 1 . 2]" 2
8 1 4 THR O 1 8 ILE N 2.900 2.700 3.100 2.935 2.865 3.041 . 0 0 "[ . 1 . 2]" 2
9 1 5 VAL O 1 9 ASN H 1.900 . 2.100 2.097 2.016 2.190 0.090 20 0 "[ . 1 . 2]" 2
10 1 5 VAL O 1 9 ASN N 2.900 2.700 3.100 2.991 2.864 3.144 0.044 20 0 "[ . 1 . 2]" 2
11 1 6 GLU O 1 10 ARG H 1.900 . 2.100 2.055 1.985 2.119 0.019 11 0 "[ . 1 . 2]" 2
12 1 6 GLU O 1 10 ARG N 2.900 2.700 3.100 2.866 2.779 2.972 . 0 0 "[ . 1 . 2]" 2
13 1 7 PHE O 1 11 TRP H 1.900 . 2.100 2.158 2.114 2.219 0.119 1 0 "[ . 1 . 2]" 2
14 1 7 PHE O 1 11 TRP N 2.900 2.700 3.100 3.076 2.984 3.172 0.072 1 0 "[ . 1 . 2]" 2
15 1 8 ILE O 1 12 GLN H 1.900 . 2.100 1.939 1.890 1.992 . 0 0 "[ . 1 . 2]" 2
16 1 8 ILE O 1 12 GLN N 2.900 2.700 3.100 2.771 2.676 2.833 0.024 2 0 "[ . 1 . 2]" 2
17 1 9 ASN O 1 13 ARG H 1.900 . 2.100 2.104 2.034 2.155 0.055 20 0 "[ . 1 . 2]" 2
18 1 9 ASN O 1 13 ARG N 2.900 2.700 3.100 2.974 2.882 3.083 . 0 0 "[ . 1 . 2]" 2
19 1 10 ARG O 1 14 ILE H 1.900 . 2.100 2.116 1.947 2.197 0.097 1 0 "[ . 1 . 2]" 2
20 1 10 ARG O 1 14 ILE N 2.900 2.700 3.100 3.047 2.883 3.149 0.049 1 0 "[ . 1 . 2]" 2
21 1 11 TRP O 1 15 ALA H 1.900 . 2.100 2.118 2.037 2.164 0.064 6 0 "[ . 1 . 2]" 2
22 1 11 TRP O 1 15 ALA N 2.900 2.700 3.100 3.049 2.959 3.105 0.005 6 0 "[ . 1 . 2]" 2
23 1 12 GLN O 1 16 LEU H 1.900 . 2.100 1.991 1.895 2.126 0.026 8 0 "[ . 1 . 2]" 2
24 1 12 GLN O 1 16 LEU N 2.900 2.700 3.100 2.893 2.799 3.069 . 0 0 "[ . 1 . 2]" 2
25 1 13 ARG O 1 17 LEU H 1.900 . 2.100 2.069 1.945 2.175 0.075 9 0 "[ . 1 . 2]" 2
26 1 13 ARG O 1 17 LEU N 2.900 2.700 3.100 2.977 2.802 3.107 0.007 16 0 "[ . 1 . 2]" 2
27 1 14 ILE O 1 18 SER H 1.900 . 2.100 2.075 1.994 2.153 0.053 20 0 "[ . 1 . 2]" 2
28 1 14 ILE O 1 18 SER N 2.900 2.700 3.100 3.030 2.938 3.122 0.022 20 0 "[ . 1 . 2]" 2
29 1 15 ALA O 1 19 GLN H 1.900 . 2.100 2.166 2.130 2.199 0.099 3 0 "[ . 1 . 2]" 2
30 1 15 ALA O 1 19 GLN N 2.900 2.700 3.100 3.059 2.992 3.135 0.035 9 0 "[ . 1 . 2]" 2
31 1 16 LEU O 1 20 SER H 1.900 . 2.100 2.050 1.976 2.112 0.012 1 0 "[ . 1 . 2]" 2
32 1 16 LEU O 1 20 SER N 2.900 2.700 3.100 2.962 2.856 3.050 . 0 0 "[ . 1 . 2]" 2
33 1 17 LEU O 1 21 LEU H 1.900 . 2.100 1.957 1.897 2.086 . 0 0 "[ . 1 . 2]" 2
34 1 17 LEU O 1 21 LEU N 2.900 2.700 3.100 2.862 2.770 3.013 . 0 0 "[ . 1 . 2]" 2
35 1 18 SER O 1 22 LEU H 1.900 . 2.100 2.102 2.044 2.147 0.047 9 0 "[ . 1 . 2]" 2
36 1 18 SER O 1 22 LEU N 2.900 2.700 3.100 2.921 2.831 3.030 . 0 0 "[ . 1 . 2]" 2
37 1 19 GLN O 1 23 GLU H 1.900 . 2.100 2.120 2.034 2.169 0.069 7 0 "[ . 1 . 2]" 2
38 1 19 GLN O 1 23 GLU N 2.900 2.700 3.100 3.099 3.002 3.157 0.057 7 0 "[ . 1 . 2]" 2
39 1 20 SER O 1 24 LEU H 1.900 . 2.100 1.952 1.871 2.038 . 0 0 "[ . 1 . 2]" 2
40 1 20 SER O 1 24 LEU N 2.900 2.700 3.100 2.904 2.817 2.980 . 0 0 "[ . 1 . 2]" 2
41 1 21 LEU O 1 25 ALA H 1.900 . 2.100 2.119 2.059 2.144 0.044 20 0 "[ . 1 . 2]" 2
42 1 21 LEU O 1 25 ALA N 2.900 2.700 3.100 2.988 2.936 3.041 . 0 0 "[ . 1 . 2]" 2
43 1 22 LEU O 1 26 GLN H 1.900 . 2.100 2.153 2.054 2.225 0.125 15 0 "[ . 1 . 2]" 2
44 1 22 LEU O 1 26 GLN N 2.900 2.700 3.100 3.102 3.002 3.180 0.080 15 0 "[ . 1 . 2]" 2
45 1 23 GLU O 1 27 ARG H 1.900 . 2.100 2.143 2.015 2.222 0.122 19 0 "[ . 1 . 2]" 2
46 1 23 GLU O 1 27 ARG N 2.900 2.700 3.100 2.966 2.824 3.158 0.058 19 0 "[ . 1 . 2]" 2
47 1 30 TRP O 1 34 LEU H 1.900 . 2.100 2.137 2.038 2.173 0.073 18 0 "[ . 1 . 2]" 2
48 1 30 TRP O 1 34 LEU N 2.900 2.700 3.100 3.051 2.913 3.125 0.025 18 0 "[ . 1 . 2]" 2
49 1 31 ASP O 1 35 GLN H 1.900 . 2.100 2.109 2.006 2.177 0.077 13 0 "[ . 1 . 2]" 2
50 1 31 ASP O 1 35 GLN N 2.900 2.700 3.100 2.990 2.845 3.107 0.007 13 0 "[ . 1 . 2]" 2
51 1 33 LEU O 1 37 GLU H 1.900 . 2.100 2.130 2.076 2.175 0.075 1 0 "[ . 1 . 2]" 2
52 1 33 LEU O 1 37 GLU N 2.900 2.700 3.100 2.789 2.717 2.891 . 0 0 "[ . 1 . 2]" 2
53 1 36 GLN O 1 40 TYR H 1.900 . 2.100 2.005 1.906 2.156 0.056 13 0 "[ . 1 . 2]" 2
54 1 36 GLN O 1 40 TYR N 2.900 2.700 3.100 2.895 2.774 3.060 . 0 0 "[ . 1 . 2]" 2
55 1 37 GLU O 1 41 LEU H 1.900 . 2.100 1.998 1.919 2.191 0.091 17 0 "[ . 1 . 2]" 2
56 1 37 GLU O 1 41 LEU N 2.900 2.700 3.100 2.941 2.799 3.107 0.007 17 0 "[ . 1 . 2]" 2
57 1 38 VAL O 1 42 GLN H 1.900 . 2.100 2.111 2.011 2.158 0.058 19 0 "[ . 1 . 2]" 2
58 1 38 VAL O 1 42 GLN N 2.900 2.700 3.100 3.041 2.919 3.131 0.031 13 0 "[ . 1 . 2]" 2
59 1 39 SER O 1 43 SER H 1.900 . 2.100 2.100 1.999 2.190 0.090 9 0 "[ . 1 . 2]" 2
60 1 39 SER O 1 43 SER N 2.900 2.700 3.100 3.023 2.904 3.113 0.013 9 0 "[ . 1 . 2]" 2
61 1 40 TYR O 1 44 ILE H 1.900 . 2.100 2.085 1.965 2.153 0.053 14 0 "[ . 1 . 2]" 2
62 1 40 TYR O 1 44 ILE N 2.900 2.700 3.100 3.042 2.924 3.130 0.030 14 0 "[ . 1 . 2]" 2
63 1 41 LEU O 1 45 GLU H 1.900 . 2.100 2.136 1.970 2.229 0.129 19 0 "[ . 1 . 2]" 2
64 1 41 LEU O 1 45 GLU N 2.900 2.700 3.100 3.089 2.915 3.210 0.110 19 0 "[ . 1 . 2]" 2
65 1 42 GLN O 1 46 THR H 1.900 . 2.100 2.115 2.000 2.203 0.103 8 0 "[ . 1 . 2]" 2
66 1 42 GLN O 1 46 THR N 2.900 2.700 3.100 3.046 2.896 3.161 0.061 8 0 "[ . 1 . 2]" 2
67 1 43 SER O 1 47 VAL H 1.900 . 2.100 2.138 2.081 2.211 0.111 15 0 "[ . 1 . 2]" 2
68 1 43 SER O 1 47 VAL N 2.900 2.700 3.100 3.011 2.857 3.114 0.014 14 0 "[ . 1 . 2]" 2
69 1 44 ILE O 1 48 MET H 1.900 . 2.100 2.160 2.111 2.210 0.110 8 0 "[ . 1 . 2]" 2
70 1 44 ILE O 1 48 MET N 2.900 2.700 3.100 3.100 2.983 3.167 0.067 8 0 "[ . 1 . 2]" 2
71 1 45 GLU O 1 49 GLU H 1.900 . 2.100 2.082 1.901 2.160 0.060 13 0 "[ . 1 . 2]" 2
72 1 45 GLU O 1 49 GLU N 2.900 2.700 3.100 2.925 2.810 3.053 . 0 0 "[ . 1 . 2]" 2
73 1 57 THR O 1 61 GLN H 1.900 . 2.100 2.084 2.012 2.330 0.230 9 0 "[ . 1 . 2]" 2
74 1 57 THR O 1 61 GLN N 2.900 2.700 3.100 2.980 2.884 3.197 0.097 9 0 "[ . 1 . 2]" 2
75 1 58 ARG O 1 62 ASP H 1.900 . 2.100 2.103 2.001 2.175 0.075 18 0 "[ . 1 . 2]" 2
76 1 58 ARG O 1 62 ASP N 2.900 2.700 3.100 3.004 2.860 3.106 0.006 20 0 "[ . 1 . 2]" 2
77 1 59 SER O 1 63 MET H 1.900 . 2.100 2.131 2.032 2.179 0.079 9 0 "[ . 1 . 2]" 2
78 1 59 SER O 1 63 MET N 2.900 2.700 3.100 3.050 2.903 3.117 0.017 15 0 "[ . 1 . 2]" 2
79 1 60 ILE O 1 64 VAL H 1.900 . 2.100 1.971 1.898 2.001 . 0 0 "[ . 1 . 2]" 2
80 1 60 ILE O 1 64 VAL N 2.900 2.700 3.100 2.928 2.861 2.962 . 0 0 "[ . 1 . 2]" 2
81 1 61 GLN O 1 65 ALA H 1.900 . 2.100 2.066 1.977 2.143 0.043 10 0 "[ . 1 . 2]" 2
82 1 61 GLN O 1 65 ALA N 2.900 2.700 3.100 2.992 2.902 3.073 . 0 0 "[ . 1 . 2]" 2
83 1 62 ASP O 1 66 GLY H 1.900 . 2.100 2.093 1.997 2.133 0.033 16 0 "[ . 1 . 2]" 2
84 1 62 ASP O 1 66 GLY N 2.900 2.700 3.100 2.884 2.792 2.967 . 0 0 "[ . 1 . 2]" 2
85 1 63 MET O 1 67 TYR H 1.900 . 2.100 2.119 2.048 2.168 0.068 4 0 "[ . 1 . 2]" 2
86 1 63 MET O 1 67 TYR N 2.900 2.700 3.100 2.999 2.911 3.064 . 0 0 "[ . 1 . 2]" 2
87 1 64 VAL O 1 68 ILE H 1.900 . 2.100 1.985 1.927 2.089 . 0 0 "[ . 1 . 2]" 2
88 1 64 VAL O 1 68 ILE N 2.900 2.700 3.100 2.885 2.797 2.986 . 0 0 "[ . 1 . 2]" 2
89 1 65 ALA O 1 69 LYS H 1.900 . 2.100 2.007 1.960 2.098 . 0 0 "[ . 1 . 2]" 2
90 1 65 ALA O 1 69 LYS N 2.900 2.700 3.100 2.950 2.849 3.078 . 0 0 "[ . 1 . 2]" 2
91 1 66 GLY O 1 70 GLN H 1.900 . 2.100 2.125 2.049 2.171 0.071 9 0 "[ . 1 . 2]" 2
92 1 66 GLY O 1 70 GLN N 2.900 2.700 3.100 3.017 2.946 3.089 . 0 0 "[ . 1 . 2]" 2
93 1 67 TYR O 1 71 THR H 1.900 . 2.100 2.120 2.072 2.201 0.101 9 0 "[ . 1 . 2]" 2
94 1 67 TYR O 1 71 THR N 2.900 2.700 3.100 3.027 2.947 3.105 0.005 10 0 "[ . 1 . 2]" 2
95 1 68 ILE O 1 72 LEU H 1.900 . 2.100 2.038 1.948 2.134 0.034 3 0 "[ . 1 . 2]" 2
96 1 68 ILE O 1 72 LEU N 2.900 2.700 3.100 2.891 2.714 3.040 . 0 0 "[ . 1 . 2]" 2
97 1 69 LYS O 1 73 ASP H 1.900 . 2.100 2.085 1.979 2.159 0.059 20 0 "[ . 1 . 2]" 2
98 1 69 LYS O 1 73 ASP N 2.900 2.700 3.100 2.999 2.813 3.127 0.027 20 0 "[ . 1 . 2]" 2
99 1 70 GLN O 1 74 ASN H 1.900 . 2.100 2.045 1.953 2.139 0.039 2 0 "[ . 1 . 2]" 2
100 1 70 GLN O 1 74 ASN N 2.900 2.700 3.100 3.003 2.860 3.108 0.008 11 0 "[ . 1 . 2]" 2
101 1 71 THR O 1 75 GLU H 1.900 . 2.100 2.106 1.960 2.190 0.090 1 0 "[ . 1 . 2]" 2
102 1 71 THR O 1 75 GLU N 2.900 2.700 3.100 3.005 2.777 3.141 0.041 5 0 "[ . 1 . 2]" 2
103 1 72 LEU O 1 76 GLN H 1.900 . 2.100 2.120 2.064 2.195 0.095 9 0 "[ . 1 . 2]" 2
104 1 72 LEU O 1 76 GLN N 2.900 2.700 3.100 2.971 2.755 3.088 . 0 0 "[ . 1 . 2]" 2
105 1 73 ASP O 1 77 LEU H 1.900 . 2.100 2.056 1.934 2.176 0.076 17 0 "[ . 1 . 2]" 2
106 1 73 ASP O 1 77 LEU N 2.900 2.700 3.100 2.981 2.827 3.126 0.026 17 0 "[ . 1 . 2]" 2
107 1 74 ASN O 1 78 LEU H 1.900 . 2.100 2.135 2.060 2.216 0.116 5 0 "[ . 1 . 2]" 2
108 1 74 ASN O 1 78 LEU N 2.900 2.700 3.100 3.068 2.967 3.163 0.063 5 0 "[ . 1 . 2]" 2
109 1 75 GLU O 1 79 LYS H 1.900 . 2.100 2.026 1.878 2.135 0.035 4 0 "[ . 1 . 2]" 2
110 1 75 GLU O 1 79 LYS N 2.900 2.700 3.100 2.910 2.791 3.102 0.002 4 0 "[ . 1 . 2]" 2
111 1 76 GLN O 1 80 GLY H 1.900 . 2.100 2.088 2.006 2.191 0.091 2 0 "[ . 1 . 2]" 2
112 1 76 GLN O 1 80 GLY N 2.900 2.700 3.100 2.968 2.854 3.111 0.011 5 0 "[ . 1 . 2]" 2
113 1 77 LEU O 1 81 LEU H 1.900 . 2.100 2.134 2.086 2.189 0.089 4 0 "[ . 1 . 2]" 2
114 1 77 LEU O 1 81 LEU N 2.900 2.700 3.100 2.923 2.722 3.040 . 0 0 "[ . 1 . 2]" 2
115 1 78 LEU O 1 82 LEU H 1.900 . 2.100 2.015 1.939 2.179 0.079 11 0 "[ . 1 . 2]" 2
116 1 78 LEU O 1 82 LEU N 2.900 2.700 3.100 2.889 2.747 3.082 . 0 0 "[ . 1 . 2]" 2
117 1 98 ARG O 1 102 LEU H 1.900 . 2.100 2.149 2.009 2.272 0.172 12 0 "[ . 1 . 2]" 2
118 1 98 ARG O 1 102 LEU N 2.900 2.700 3.100 3.058 2.665 3.185 0.085 16 0 "[ . 1 . 2]" 2
119 1 99 GLN O 1 103 ASN H 1.900 . 2.100 2.143 2.097 2.205 0.105 9 0 "[ . 1 . 2]" 2
120 1 99 GLN O 1 103 ASN N 2.900 2.700 3.100 3.037 2.883 3.164 0.064 13 0 "[ . 1 . 2]" 2
121 1 100 LYS O 1 104 ASN H 1.900 . 2.100 2.051 1.917 2.183 0.083 1 0 "[ . 1 . 2]" 2
122 1 100 LYS O 1 104 ASN N 2.900 2.700 3.100 2.923 2.769 3.092 . 0 0 "[ . 1 . 2]" 2
123 1 101 SER O 1 105 ALA H 1.900 . 2.100 2.067 1.997 2.134 0.034 16 0 "[ . 1 . 2]" 2
124 1 101 SER O 1 105 ALA N 2.900 2.700 3.100 2.914 2.795 2.979 . 0 0 "[ . 1 . 2]" 2
125 1 102 LEU O 1 106 TYR H 1.900 . 2.100 2.105 1.976 2.176 0.076 13 0 "[ . 1 . 2]" 2
126 1 102 LEU O 1 106 TYR N 2.900 2.700 3.100 2.994 2.848 3.115 0.015 4 0 "[ . 1 . 2]" 2
127 1 103 ASN O 1 107 GLY H 1.900 . 2.100 2.111 1.998 2.204 0.104 13 0 "[ . 1 . 2]" 2
128 1 103 ASN O 1 107 GLY N 2.900 2.700 3.100 3.033 2.875 3.133 0.033 3 0 "[ . 1 . 2]" 2
129 1 104 ASN O 1 108 ARG H 1.900 . 2.100 2.023 1.920 2.125 0.025 6 0 "[ . 1 . 2]" 2
130 1 104 ASN O 1 108 ARG N 2.900 2.700 3.100 2.928 2.785 3.098 . 0 0 "[ . 1 . 2]" 2
131 1 105 ALA O 1 109 LEU H 1.900 . 2.100 2.125 2.067 2.181 0.081 20 0 "[ . 1 . 2]" 2
132 1 105 ALA O 1 109 LEU N 2.900 2.700 3.100 2.970 2.829 3.110 0.010 18 0 "[ . 1 . 2]" 2
133 1 106 TYR O 1 110 SER H 1.900 . 2.100 2.019 1.933 2.145 0.045 17 0 "[ . 1 . 2]" 2
134 1 106 TYR O 1 110 SER N 2.900 2.700 3.100 2.909 2.733 3.060 . 0 0 "[ . 1 . 2]" 2
135 1 107 GLY O 1 111 GLY H 1.900 . 2.100 2.134 2.101 2.186 0.086 8 0 "[ . 1 . 2]" 2
136 1 107 GLY O 1 111 GLY N 2.900 2.700 3.100 2.943 2.801 3.103 0.003 7 0 "[ . 1 . 2]" 2
137 1 108 ARG O 1 112 MET H 1.900 . 2.100 2.061 1.988 2.171 0.071 8 0 "[ . 1 . 2]" 2
138 1 108 ARG O 1 112 MET N 2.900 2.700 3.100 2.834 2.689 3.144 0.044 8 0 "[ . 1 . 2]" 2
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