NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
592747 |
2n57   |
17203 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n57
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 979
_Distance_constraint_stats_list.Viol_count 291
_Distance_constraint_stats_list.Viol_total 32.434
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0111
_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 0.000 0.000 . 0 "[ . 1]"
1 2 SER 0.000 0.000 . 0 "[ . 1]"
1 3 ASP 0.074 0.064 7 0 "[ . 1]"
1 4 THR 0.076 0.064 7 0 "[ . 1]"
1 5 ALA 0.022 0.008 2 0 "[ . 1]"
1 6 GLU 0.005 0.002 5 0 "[ . 1]"
1 7 ARG 0.000 0.000 . 0 "[ . 1]"
1 8 VAL 0.025 0.008 5 0 "[ . 1]"
1 9 LYS 0.022 0.008 2 0 "[ . 1]"
1 10 LYS 0.006 0.004 5 0 "[ . 1]"
1 11 ILE 0.031 0.010 9 0 "[ . 1]"
1 12 VAL 0.015 0.006 9 0 "[ . 1]"
1 13 VAL 0.058 0.015 9 0 "[ . 1]"
1 14 GLU 0.132 0.061 9 0 "[ . 1]"
1 15 HIS 0.001 0.001 10 0 "[ . 1]"
1 16 LEU 0.018 0.005 3 0 "[ . 1]"
1 17 GLY 0.002 0.002 9 0 "[ . 1]"
1 18 VAL 0.035 0.008 9 0 "[ . 1]"
1 19 ASP 0.011 0.003 4 0 "[ . 1]"
1 20 ALA 0.000 0.000 2 0 "[ . 1]"
1 21 ASP 0.000 0.000 . 0 "[ . 1]"
1 22 LYS 0.004 0.002 5 0 "[ . 1]"
1 23 VAL 0.005 0.003 10 0 "[ . 1]"
1 24 THR 0.004 0.002 5 0 "[ . 1]"
1 25 GLU 0.012 0.004 10 0 "[ . 1]"
1 26 GLY 0.000 0.000 . 0 "[ . 1]"
1 27 ALA 0.110 0.013 8 0 "[ . 1]"
1 28 SER 0.348 0.054 9 0 "[ . 1]"
1 29 PHE 0.678 0.036 3 0 "[ . 1]"
1 30 ILE 0.937 0.064 8 0 "[ . 1]"
1 31 ASP 0.359 0.033 10 0 "[ . 1]"
1 32 ASP 0.263 0.031 5 0 "[ . 1]"
1 33 LEU 1.656 0.064 8 0 "[ . 1]"
1 34 GLY 0.442 0.047 7 0 "[ . 1]"
1 35 ALA 0.001 0.001 9 0 "[ . 1]"
1 36 ASP 0.105 0.019 9 0 "[ . 1]"
1 37 SER 0.101 0.017 9 0 "[ . 1]"
1 38 LEU 0.000 0.000 . 0 "[ . 1]"
1 39 ASP 0.048 0.026 9 0 "[ . 1]"
1 40 THR 0.058 0.019 9 0 "[ . 1]"
1 41 VAL 0.000 0.000 . 0 "[ . 1]"
1 42 GLU 0.204 0.067 10 0 "[ . 1]"
1 43 LEU 0.005 0.005 9 0 "[ . 1]"
1 44 VAL 0.008 0.006 9 0 "[ . 1]"
1 45 MET 0.000 0.000 . 0 "[ . 1]"
1 46 ALA 0.008 0.006 9 0 "[ . 1]"
1 47 PHE 0.025 0.010 9 0 "[ . 1]"
1 48 GLU 0.002 0.001 5 0 "[ . 1]"
1 49 GLU 0.000 0.000 . 0 "[ . 1]"
1 50 GLU 0.009 0.002 4 0 "[ . 1]"
1 51 PHE 0.005 0.001 5 0 "[ . 1]"
1 52 GLY 0.000 0.000 3 0 "[ . 1]"
1 53 VAL 0.007 0.004 9 0 "[ . 1]"
1 54 GLU 0.000 0.000 6 0 "[ . 1]"
1 55 ILE 0.000 0.000 . 0 "[ . 1]"
1 56 PRO 0.015 0.007 4 0 "[ . 1]"
1 57 ASP 0.000 0.000 . 0 "[ . 1]"
1 58 ASP 0.000 0.000 . 0 "[ . 1]"
1 59 ALA 0.012 0.007 4 0 "[ . 1]"
1 60 ALA 0.001 0.001 3 0 "[ . 1]"
1 61 GLU 0.003 0.003 9 0 "[ . 1]"
1 62 THR 0.010 0.007 9 0 "[ . 1]"
1 63 ILE 0.010 0.005 9 0 "[ . 1]"
1 64 LEU 0.016 0.007 9 0 "[ . 1]"
1 65 THR 0.003 0.002 10 0 "[ . 1]"
1 66 VAL 0.053 0.010 7 0 "[ . 1]"
1 67 GLY 0.008 0.004 10 0 "[ . 1]"
1 68 ASP 0.003 0.002 10 0 "[ . 1]"
1 69 ALA 0.071 0.014 9 0 "[ . 1]"
1 70 VAL 0.006 0.002 5 0 "[ . 1]"
1 71 LYS 0.001 0.001 3 0 "[ . 1]"
1 72 PHE 0.043 0.008 5 0 "[ . 1]"
1 73 ILE 0.008 0.004 9 0 "[ . 1]"
1 74 ASP 0.001 0.001 3 0 "[ . 1]"
1 75 LYS 0.000 0.000 . 0 "[ . 1]"
1 76 ALA 0.011 0.009 10 0 "[ . 1]"
1 77 SER 0.009 0.009 10 0 "[ . 1]"
1 78 ALA 0.000 0.000 . 0 "[ . 1]"
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 24 THR HA 1 25 GLU H . . 3.510 2.373 2.291 2.448 . 0 0 "[ . 1]" 1
2 1 5 ALA H 1 6 GLU HB2 . . 5.000 4.842 4.742 4.912 . 0 0 "[ . 1]" 1
3 1 5 ALA H 1 70 VAL MG1 . . 4.470 3.047 2.926 3.162 . 0 0 "[ . 1]" 1
4 1 7 ARG H 1 7 ARG HB3 . . 3.710 3.287 2.763 3.579 . 0 0 "[ . 1]" 1
5 1 8 VAL HB 1 9 LYS H . . 3.350 2.183 2.095 2.308 . 0 0 "[ . 1]" 1
6 1 45 MET H 1 48 GLU HB2 . . 5.090 4.867 4.538 5.080 . 0 0 "[ . 1]" 1
7 1 8 VAL HA 1 12 VAL H . . 5.160 4.241 4.177 4.274 . 0 0 "[ . 1]" 1
8 1 14 GLU H 1 14 GLU HB3 . . 3.920 2.740 2.495 2.838 . 0 0 "[ . 1]" 1
9 1 14 GLU H 1 16 LEU H . . 4.460 4.284 4.134 4.431 . 0 0 "[ . 1]" 1
10 1 14 GLU HA 1 16 LEU H . . 5.190 5.072 4.938 5.105 . 0 0 "[ . 1]" 1
11 1 16 LEU H 1 16 LEU MD1 . . 4.670 3.791 2.244 4.277 . 0 0 "[ . 1]" 1
12 1 20 ALA MB 1 23 VAL H . . 4.730 4.187 4.106 4.297 . 0 0 "[ . 1]" 1
13 1 22 LYS HG3 1 23 VAL H . . 5.160 4.345 4.113 4.710 . 0 0 "[ . 1]" 1
14 1 24 THR H 1 66 VAL MG2 . . 4.200 2.941 2.678 3.037 . 0 0 "[ . 1]" 1
15 1 25 GLU H 1 26 GLY H . . 4.480 2.771 2.747 2.826 . 0 0 "[ . 1]" 1
16 1 26 GLY H 1 27 ALA MB . . 4.960 3.978 3.888 4.095 . 0 0 "[ . 1]" 1
17 1 24 THR MG 1 26 GLY H . . 5.120 4.295 4.228 4.441 . 0 0 "[ . 1]" 1
18 1 26 GLY H 1 27 ALA H . . 3.770 2.903 2.831 2.950 . 0 0 "[ . 1]" 1
19 1 27 ALA H 1 65 THR HB . . 4.290 2.805 2.374 3.310 . 0 0 "[ . 1]" 1
20 1 27 ALA H 1 65 THR MG . . 5.020 3.644 3.228 3.948 . 0 0 "[ . 1]" 1
21 1 27 ALA H 1 66 VAL MG1 . . 4.880 4.755 4.684 4.816 . 0 0 "[ . 1]" 1
22 1 28 SER HA 1 30 ILE H . . 4.110 3.441 3.436 3.448 . 0 0 "[ . 1]" 1
23 1 29 PHE HA 1 31 ASP H . . 4.810 4.837 4.832 4.843 0.033 10 0 "[ . 1]" 1
24 1 30 ILE HB 1 32 ASP H . . 5.430 4.784 4.773 4.801 . 0 0 "[ . 1]" 1
25 1 28 SER H 1 33 LEU H . . 5.160 4.965 4.947 5.023 . 0 0 "[ . 1]" 1
26 1 35 ALA HA 1 36 ASP H . . 3.310 2.508 2.470 2.662 . 0 0 "[ . 1]" 1
27 1 36 ASP H 1 39 ASP HB2 . . 4.120 3.151 2.512 3.744 . 0 0 "[ . 1]" 1
28 1 36 ASP H 1 39 ASP HB3 . . 4.120 3.559 2.795 4.121 0.001 2 0 "[ . 1]" 1
29 1 35 ALA MB 1 36 ASP H . . 3.940 2.366 2.187 2.452 . 0 0 "[ . 1]" 1
30 1 37 SER H 1 38 LEU H . . 4.040 2.768 2.722 2.805 . 0 0 "[ . 1]" 1
31 1 37 SER H 1 37 SER HB3 . . 4.010 2.907 2.403 3.586 . 0 0 "[ . 1]" 1
32 1 36 ASP HB2 1 37 SER H . . 3.790 3.163 2.009 3.764 . 0 0 "[ . 1]" 1
33 1 30 ILE MG 1 37 SER H . . 5.070 4.520 4.476 4.578 . 0 0 "[ . 1]" 1
34 1 38 LEU H 1 39 ASP H . . 3.230 2.909 2.855 2.968 . 0 0 "[ . 1]" 1
35 1 39 ASP H 1 39 ASP HB2 . . 3.750 2.401 2.081 2.711 . 0 0 "[ . 1]" 1
36 1 38 LEU HB2 1 39 ASP H . . 4.170 2.780 2.218 3.721 . 0 0 "[ . 1]" 1
37 1 38 LEU HA 1 40 THR H . . 4.920 4.561 4.333 4.729 . 0 0 "[ . 1]" 1
38 1 40 THR H 1 41 VAL HB . . 5.420 5.072 5.005 5.145 . 0 0 "[ . 1]" 1
39 1 43 LEU H 1 44 VAL H . . 3.620 2.832 2.721 2.903 . 0 0 "[ . 1]" 1
40 1 48 GLU H 1 48 GLU HB2 . . 3.510 2.212 2.114 2.405 . 0 0 "[ . 1]" 1
41 1 13 VAL H 1 23 VAL MG2 . . 4.380 4.047 3.910 4.329 . 0 0 "[ . 1]" 1
42 1 51 PHE H 1 51 PHE QE . . 5.000 4.739 4.362 5.000 0.000 3 0 "[ . 1]" 1
43 1 51 PHE H 1 53 VAL H . . 5.280 4.201 3.828 4.539 . 0 0 "[ . 1]" 1
44 1 50 GLU HG3 1 51 PHE H . . 5.050 4.556 3.812 4.994 . 0 0 "[ . 1]" 1
45 1 51 PHE H 1 53 VAL MG2 . . 5.010 4.108 3.818 4.418 . 0 0 "[ . 1]" 1
46 1 52 GLY H 1 53 VAL MG1 . . 4.710 3.947 3.653 4.170 . 0 0 "[ . 1]" 1
47 1 60 ALA H 1 61 GLU H . . 3.530 2.662 2.520 2.729 . 0 0 "[ . 1]" 1
48 1 66 VAL H 1 66 VAL HB . . 3.660 2.595 2.538 2.627 . 0 0 "[ . 1]" 1
49 1 27 ALA MB 1 66 VAL H . . 4.690 3.207 3.108 3.322 . 0 0 "[ . 1]" 1
50 1 70 VAL MG2 1 71 LYS H . . 4.040 3.733 3.708 3.767 . 0 0 "[ . 1]" 1
51 1 8 VAL MG2 1 72 PHE H . . 5.500 5.502 5.499 5.508 0.008 5 0 "[ . 1]" 1
52 1 73 ILE MD 1 74 ASP H . . 5.060 4.414 4.244 4.544 . 0 0 "[ . 1]" 1
53 1 4 THR MG 1 6 GLU H . . 5.500 5.226 5.070 5.406 . 0 0 "[ . 1]" 1
54 1 6 GLU H 1 70 VAL MG2 . . 5.500 5.468 5.321 5.502 0.002 5 0 "[ . 1]" 1
55 1 2 SER H 1 5 ALA MB . . 5.280 4.375 2.028 5.249 . 0 0 "[ . 1]" 1
56 1 3 ASP H 1 4 THR H . . 3.980 2.346 2.086 2.784 . 0 0 "[ . 1]" 1
57 1 2 SER HA 1 3 ASP H . . 3.210 2.219 2.137 2.357 . 0 0 "[ . 1]" 1
58 1 2 SER HB2 1 3 ASP H . . 4.380 3.988 3.520 4.265 . 0 0 "[ . 1]" 1
59 1 2 SER HB3 1 3 ASP H . . 4.380 3.166 2.607 4.270 . 0 0 "[ . 1]" 1
60 1 3 ASP H 1 3 ASP HB2 . . 3.700 2.645 2.292 3.666 . 0 0 "[ . 1]" 1
61 1 3 ASP H 1 3 ASP HB3 . . 3.700 3.231 2.465 3.672 . 0 0 "[ . 1]" 1
62 1 3 ASP H 1 6 GLU HB2 . . 5.500 5.248 4.885 5.497 . 0 0 "[ . 1]" 1
63 1 4 THR H 1 5 ALA H . . 3.390 2.626 2.443 2.729 . 0 0 "[ . 1]" 1
64 1 2 SER HA 1 4 THR H . . 4.320 4.181 3.827 4.318 . 0 0 "[ . 1]" 1
65 1 4 THR H 1 4 THR HB . . 3.110 2.618 2.518 2.761 . 0 0 "[ . 1]" 1
66 1 3 ASP HB2 1 4 THR H . . 3.760 3.043 2.470 3.770 0.010 7 0 "[ . 1]" 1
67 1 3 ASP HB3 1 4 THR H . . 3.760 3.201 2.114 3.824 0.064 7 0 "[ . 1]" 1
68 1 4 THR H 1 6 GLU HB2 . . 5.410 5.212 5.040 5.393 . 0 0 "[ . 1]" 1
69 1 4 THR H 1 4 THR MG . . 3.990 3.770 3.745 3.787 . 0 0 "[ . 1]" 1
70 1 4 THR H 1 5 ALA MB . . 4.270 4.186 4.084 4.250 . 0 0 "[ . 1]" 1
71 1 2 SER HA 1 5 ALA H . . 5.100 4.507 4.069 4.814 . 0 0 "[ . 1]" 1
72 1 4 THR HB 1 5 ALA H . . 3.870 2.460 2.261 2.662 . 0 0 "[ . 1]" 1
73 1 5 ALA H 1 5 ALA MB . . 2.880 2.116 2.028 2.231 . 0 0 "[ . 1]" 1
74 1 4 THR MG 1 5 ALA H . . 3.810 3.527 3.297 3.720 . 0 0 "[ . 1]" 1
75 1 5 ALA H 1 6 GLU H . . 3.320 2.921 2.879 2.976 . 0 0 "[ . 1]" 1
76 1 2 SER HA 1 6 GLU H . . 5.500 5.077 4.437 5.457 . 0 0 "[ . 1]" 1
77 1 3 ASP HA 1 6 GLU H . . 4.340 4.067 3.792 4.338 . 0 0 "[ . 1]" 1
78 1 6 GLU H 1 6 GLU HB2 . . 2.760 2.348 2.252 2.398 . 0 0 "[ . 1]" 1
79 1 5 ALA MB 1 6 GLU H . . 3.070 2.405 2.222 2.570 . 0 0 "[ . 1]" 1
80 1 7 ARG H 1 8 VAL H . . 3.240 2.823 2.763 2.894 . 0 0 "[ . 1]" 1
81 1 6 GLU H 1 7 ARG H . . 3.260 2.866 2.801 2.942 . 0 0 "[ . 1]" 1
82 1 4 THR HA 1 7 ARG H . . 3.990 3.593 3.516 3.696 . 0 0 "[ . 1]" 1
83 1 6 GLU HB2 1 7 ARG H . . 2.900 2.581 2.404 2.730 . 0 0 "[ . 1]" 1
84 1 7 ARG H 1 8 VAL MG2 . . 4.570 4.287 4.172 4.371 . 0 0 "[ . 1]" 1
85 1 5 ALA MB 1 7 ARG H . . 4.780 4.524 4.345 4.713 . 0 0 "[ . 1]" 1
86 1 7 ARG H 1 7 ARG HB2 . . 3.030 2.265 2.135 2.412 . 0 0 "[ . 1]" 1
87 1 8 VAL H 1 9 LYS H . . 3.740 2.954 2.923 3.044 . 0 0 "[ . 1]" 1
88 1 8 VAL H 1 51 PHE QE . . 4.640 4.402 3.888 4.641 0.001 5 0 "[ . 1]" 1
89 1 7 ARG HB3 1 8 VAL H . . 3.520 2.875 2.154 3.378 . 0 0 "[ . 1]" 1
90 1 8 VAL H 1 8 VAL HB . . 3.680 2.578 2.539 2.607 . 0 0 "[ . 1]" 1
91 1 5 ALA MB 1 8 VAL H . . 5.150 4.725 4.593 4.885 . 0 0 "[ . 1]" 1
92 1 8 VAL H 1 8 VAL MG1 . . 3.770 3.764 3.763 3.765 . 0 0 "[ . 1]" 1
93 1 8 VAL H 1 8 VAL MG2 . . 3.410 2.203 2.024 2.307 . 0 0 "[ . 1]" 1
94 1 6 GLU HA 1 9 LYS H . . 4.510 3.947 3.897 4.023 . 0 0 "[ . 1]" 1
95 1 5 ALA MB 1 9 LYS H . . 4.780 4.388 4.164 4.515 . 0 0 "[ . 1]" 1
96 1 8 VAL MG1 1 9 LYS H . . 4.290 3.082 2.951 3.257 . 0 0 "[ . 1]" 1
97 1 8 VAL MG2 1 9 LYS H . . 4.710 3.672 3.642 3.712 . 0 0 "[ . 1]" 1
98 1 9 LYS H 1 10 LYS H . . 3.660 2.804 2.741 2.908 . 0 0 "[ . 1]" 1
99 1 10 LYS H 1 11 ILE H . . 3.670 2.856 2.731 2.981 . 0 0 "[ . 1]" 1
100 1 8 VAL HA 1 11 ILE H . . 4.040 3.733 3.638 3.826 . 0 0 "[ . 1]" 1
101 1 11 ILE H 1 11 ILE HB . . 3.050 2.575 2.542 2.608 . 0 0 "[ . 1]" 1
102 1 11 ILE H 1 11 ILE HG12 . . 3.720 3.370 3.238 3.487 . 0 0 "[ . 1]" 1
103 1 11 ILE H 1 11 ILE HG13 . . 3.370 2.014 1.953 2.079 . 0 0 "[ . 1]" 1
104 1 11 ILE H 1 11 ILE MD . . 3.810 3.433 3.307 3.586 . 0 0 "[ . 1]" 1
105 1 11 ILE H 1 11 ILE MG . . 3.940 3.764 3.763 3.766 . 0 0 "[ . 1]" 1
106 1 11 ILE H 1 12 VAL H . . 3.570 2.682 2.605 2.808 . 0 0 "[ . 1]" 1
107 1 9 LYS HA 1 12 VAL H . . 3.980 3.507 3.416 3.588 . 0 0 "[ . 1]" 1
108 1 12 VAL H 1 12 VAL HB . . 3.280 2.514 2.499 2.527 . 0 0 "[ . 1]" 1
109 1 39 ASP H 1 39 ASP HB3 . . 3.750 2.795 2.367 3.461 . 0 0 "[ . 1]" 1
110 1 38 LEU HB3 1 39 ASP H . . 4.170 2.964 2.217 3.580 . 0 0 "[ . 1]" 1
111 1 12 VAL H 1 12 VAL MG2 . . 3.170 2.304 2.219 2.391 . 0 0 "[ . 1]" 1
112 1 12 VAL H 1 12 VAL MG1 . . 3.890 3.766 3.765 3.769 . 0 0 "[ . 1]" 1
113 1 11 ILE MG 1 12 VAL H . . 3.870 3.618 3.485 3.703 . 0 0 "[ . 1]" 1
114 1 13 VAL H 1 14 GLU H . . 3.330 2.515 2.390 2.614 . 0 0 "[ . 1]" 1
115 1 10 LYS HA 1 13 VAL H . . 3.640 3.539 3.388 3.644 0.004 5 0 "[ . 1]" 1
116 1 9 LYS HA 1 13 VAL H . . 4.360 4.024 3.813 4.244 . 0 0 "[ . 1]" 1
117 1 47 PHE HB2 1 48 GLU H . . 3.580 2.648 2.521 2.793 . 0 0 "[ . 1]" 1
118 1 12 VAL HB 1 13 VAL H . . 3.260 2.608 2.455 2.832 . 0 0 "[ . 1]" 1
119 1 13 VAL H 1 13 VAL HB . . 2.860 2.510 2.501 2.527 . 0 0 "[ . 1]" 1
120 1 13 VAL H 1 14 GLU HB2 . . 4.790 4.670 4.560 4.805 0.015 9 0 "[ . 1]" 1
121 1 12 VAL MG2 1 13 VAL H . . 4.150 3.842 3.790 3.922 . 0 0 "[ . 1]" 1
122 1 13 VAL H 1 13 VAL MG2 . . 2.740 2.283 2.215 2.362 . 0 0 "[ . 1]" 1
123 1 14 GLU H 1 15 HIS H . . 3.500 2.368 2.367 2.369 . 0 0 "[ . 1]" 1
124 1 13 VAL HB 1 14 GLU H . . 2.910 2.820 2.654 2.906 . 0 0 "[ . 1]" 1
125 1 14 GLU H 1 14 GLU HB2 . . 3.330 2.418 2.331 2.647 . 0 0 "[ . 1]" 1
126 1 13 VAL MG2 1 14 GLU H . . 3.970 3.913 3.854 3.950 . 0 0 "[ . 1]" 1
127 1 11 ILE MG 1 14 GLU H . . 4.830 4.639 4.498 4.744 . 0 0 "[ . 1]" 1
128 1 15 HIS H 1 15 HIS HD2 . . 5.200 4.710 2.885 5.201 0.001 10 0 "[ . 1]" 1
129 1 11 ILE HA 1 15 HIS H . . 4.710 4.000 3.935 4.040 . 0 0 "[ . 1]" 1
130 1 12 VAL HA 1 15 HIS H . . 4.640 3.464 3.346 3.553 . 0 0 "[ . 1]" 1
131 1 14 GLU HB3 1 15 HIS H . . 4.050 3.012 2.992 3.045 . 0 0 "[ . 1]" 1
132 1 14 GLU HB2 1 15 HIS H . . 4.140 3.876 3.786 4.073 . 0 0 "[ . 1]" 1
133 1 11 ILE MG 1 15 HIS H . . 4.820 3.992 3.822 4.114 . 0 0 "[ . 1]" 1
134 1 12 VAL HA 1 16 LEU H . . 4.000 3.376 3.182 3.494 . 0 0 "[ . 1]" 1
135 1 16 LEU H 1 16 LEU HB2 . . 3.820 2.240 2.185 2.438 . 0 0 "[ . 1]" 1
136 1 16 LEU H 1 16 LEU HB3 . . 3.820 3.343 2.871 3.593 . 0 0 "[ . 1]" 1
137 1 12 VAL MG1 1 16 LEU H . . 4.000 3.607 3.368 3.802 . 0 0 "[ . 1]" 1
138 1 16 LEU H 1 16 LEU MD2 . . 4.670 2.826 2.014 3.814 . 0 0 "[ . 1]" 1
139 1 16 LEU H 1 18 VAL MG2 . . 5.200 4.367 4.132 4.470 . 0 0 "[ . 1]" 1
140 1 16 LEU H 1 17 GLY H . . 3.140 2.467 2.411 2.486 . 0 0 "[ . 1]" 1
141 1 13 VAL HA 1 17 GLY H . . 4.060 3.191 3.063 3.285 . 0 0 "[ . 1]" 1
142 1 16 LEU HB2 1 17 GLY H . . 4.320 3.159 2.770 3.626 . 0 0 "[ . 1]" 1
143 1 16 LEU HB3 1 17 GLY H . . 4.320 3.417 2.805 3.772 . 0 0 "[ . 1]" 1
144 1 12 VAL MG1 1 17 GLY H . . 4.970 4.802 4.545 4.972 0.002 9 0 "[ . 1]" 1
145 1 17 GLY H 1 18 VAL MG2 . . 3.950 3.773 3.554 3.943 . 0 0 "[ . 1]" 1
146 1 13 VAL H 1 18 VAL H . . 5.500 5.472 5.416 5.508 0.008 9 0 "[ . 1]" 1
147 1 16 LEU H 1 18 VAL H . . 4.240 4.235 4.202 4.245 0.005 3 0 "[ . 1]" 1
148 1 18 VAL H 1 19 ASP H . . 4.650 4.438 4.414 4.479 . 0 0 "[ . 1]" 1
149 1 17 GLY H 1 18 VAL H . . 3.210 2.499 2.370 2.606 . 0 0 "[ . 1]" 1
150 1 13 VAL HA 1 18 VAL H . . 3.320 2.678 2.570 2.791 . 0 0 "[ . 1]" 1
151 1 18 VAL H 1 18 VAL HB . . 3.850 3.723 3.684 3.738 . 0 0 "[ . 1]" 1
152 1 18 VAL H 1 18 VAL MG2 . . 2.800 2.010 1.926 2.109 . 0 0 "[ . 1]" 1
153 1 18 VAL HA 1 19 ASP H . . 2.860 2.626 2.552 2.668 . 0 0 "[ . 1]" 1
154 1 19 ASP H 1 19 ASP HB3 . . 3.020 2.845 2.795 2.888 . 0 0 "[ . 1]" 1
155 1 19 ASP H 1 19 ASP HB2 . . 2.780 2.329 2.279 2.396 . 0 0 "[ . 1]" 1
156 1 18 VAL HB 1 19 ASP H . . 2.840 1.979 1.947 2.117 . 0 0 "[ . 1]" 1
157 1 19 ASP H 1 22 LYS HB2 . . 4.230 4.126 3.956 4.231 0.001 2 0 "[ . 1]" 1
158 1 19 ASP H 1 22 LYS HG3 . . 4.110 4.049 3.875 4.111 0.001 4 0 "[ . 1]" 1
159 1 18 VAL MG2 1 19 ASP H . . 3.430 2.934 2.711 3.297 . 0 0 "[ . 1]" 1
160 1 19 ASP H 1 20 ALA H . . 4.800 4.598 4.571 4.618 . 0 0 "[ . 1]" 1
161 1 20 ALA H 1 22 LYS H . . 4.770 4.142 4.085 4.200 . 0 0 "[ . 1]" 1
162 1 19 ASP HA 1 20 ALA H . . 2.550 2.235 2.206 2.289 . 0 0 "[ . 1]" 1
163 1 19 ASP HB3 1 20 ALA H . . 3.680 3.635 3.521 3.680 0.000 2 0 "[ . 1]" 1
164 1 19 ASP HB2 1 20 ALA H . . 4.400 4.224 4.127 4.290 . 0 0 "[ . 1]" 1
165 1 20 ALA H 1 20 ALA MB . . 2.670 2.166 2.071 2.262 . 0 0 "[ . 1]" 1
166 1 13 VAL MG2 1 20 ALA H . . 3.480 3.379 3.078 3.480 . 0 0 "[ . 1]" 1
167 1 20 ALA H 1 23 VAL MG2 . . 4.770 4.227 3.990 4.391 . 0 0 "[ . 1]" 1
168 1 20 ALA H 1 21 ASP H . . 3.720 2.475 2.435 2.593 . 0 0 "[ . 1]" 1
169 1 21 ASP H 1 22 LYS H . . 2.990 2.725 2.645 2.782 . 0 0 "[ . 1]" 1
170 1 21 ASP H 1 23 VAL H . . 4.240 4.073 4.038 4.110 . 0 0 "[ . 1]" 1
171 1 21 ASP H 1 22 LYS HB2 . . 5.300 5.017 4.815 5.171 . 0 0 "[ . 1]" 1
172 1 20 ALA MB 1 21 ASP H . . 2.980 2.769 2.669 2.860 . 0 0 "[ . 1]" 1
173 1 13 VAL MG2 1 21 ASP H . . 5.140 4.874 4.698 5.113 . 0 0 "[ . 1]" 1
174 1 21 ASP H 1 23 VAL MG2 . . 4.780 4.475 4.352 4.778 . 0 0 "[ . 1]" 1
175 1 20 ALA HA 1 22 LYS H . . 4.500 3.860 3.695 4.168 . 0 0 "[ . 1]" 1
176 1 22 LYS H 1 23 VAL HB . . 5.260 4.789 4.603 5.005 . 0 0 "[ . 1]" 1
177 1 22 LYS H 1 22 LYS HB2 . . 3.120 2.508 2.339 2.625 . 0 0 "[ . 1]" 1
178 1 22 LYS H 1 22 LYS HG3 . . 3.590 2.329 2.179 2.677 . 0 0 "[ . 1]" 1
179 1 22 LYS H 1 24 THR MG . . 5.130 4.710 4.550 4.896 . 0 0 "[ . 1]" 1
180 1 22 LYS H 1 23 VAL MG2 . . 3.990 3.580 3.432 3.811 . 0 0 "[ . 1]" 1
181 1 22 LYS H 1 23 VAL H . . 2.910 2.414 2.262 2.586 . 0 0 "[ . 1]" 1
182 1 23 VAL H 1 24 THR H . . 4.340 4.063 3.890 4.220 . 0 0 "[ . 1]" 1
183 1 22 LYS HA 1 23 VAL H . . 3.520 3.462 3.456 3.467 . 0 0 "[ . 1]" 1
184 1 23 VAL H 1 23 VAL HB . . 2.920 2.594 2.533 2.629 . 0 0 "[ . 1]" 1
185 1 22 LYS HB2 1 23 VAL H . . 3.420 2.978 2.953 3.038 . 0 0 "[ . 1]" 1
186 1 23 VAL H 1 24 THR MG . . 4.070 3.911 3.762 4.010 . 0 0 "[ . 1]" 1
187 1 23 VAL H 1 23 VAL MG2 . . 2.820 2.039 1.926 2.290 . 0 0 "[ . 1]" 1
188 1 24 THR H 1 27 ALA H . . 4.070 3.929 3.766 4.071 0.001 8 0 "[ . 1]" 1
189 1 22 LYS HA 1 24 THR H . . 4.870 4.551 4.230 4.872 0.002 5 0 "[ . 1]" 1
190 1 23 VAL HA 1 24 THR H . . 2.670 2.297 2.219 2.390 . 0 0 "[ . 1]" 1
191 1 23 VAL HB 1 24 THR H . . 4.850 4.442 4.427 4.469 . 0 0 "[ . 1]" 1
192 1 24 THR H 1 66 VAL HB . . 5.190 4.364 4.135 4.499 . 0 0 "[ . 1]" 1
193 1 24 THR H 1 27 ALA MB . . 2.890 1.916 1.844 2.011 . 0 0 "[ . 1]" 1
194 1 24 THR H 1 24 THR MG . . 3.210 2.710 2.544 2.846 . 0 0 "[ . 1]" 1
195 1 24 THR MG 1 25 GLU H . . 4.460 3.792 3.588 3.945 . 0 0 "[ . 1]" 1
196 1 24 THR HB 1 26 GLY H . . 4.730 2.889 2.696 3.104 . 0 0 "[ . 1]" 1
197 1 27 ALA H 1 28 SER H . . 4.460 4.267 4.252 4.296 . 0 0 "[ . 1]" 1
198 1 27 ALA H 1 67 GLY H . . 5.200 3.864 3.712 4.079 . 0 0 "[ . 1]" 1
199 1 27 ALA H 1 28 SER HA . . 5.080 4.959 4.898 5.031 . 0 0 "[ . 1]" 1
200 1 25 GLU HA 1 27 ALA H . . 4.290 3.698 3.604 3.796 . 0 0 "[ . 1]" 1
201 1 27 ALA H 1 66 VAL HB . . 4.350 3.289 3.200 3.359 . 0 0 "[ . 1]" 1
202 1 27 ALA H 1 66 VAL MG2 . . 4.190 3.140 2.970 3.261 . 0 0 "[ . 1]" 1
203 1 27 ALA H 1 27 ALA MB . . 2.920 2.340 2.297 2.387 . 0 0 "[ . 1]" 1
204 1 28 SER H 1 29 PHE H . . 4.880 4.401 4.391 4.410 . 0 0 "[ . 1]" 1
205 1 28 SER H 1 32 ASP H . . 4.100 3.346 3.333 3.357 . 0 0 "[ . 1]" 1
206 1 28 SER H 1 32 ASP HA . . 4.820 4.522 4.516 4.530 . 0 0 "[ . 1]" 1
207 1 27 ALA HA 1 28 SER H . . 2.790 2.151 2.147 2.153 . 0 0 "[ . 1]" 1
208 1 28 SER H 1 28 SER HB2 . . 3.720 2.801 2.208 3.654 . 0 0 "[ . 1]" 1
209 1 28 SER H 1 28 SER HB3 . . 3.720 3.172 2.331 3.640 . 0 0 "[ . 1]" 1
210 1 28 SER H 1 32 ASP HB2 . . 3.650 1.944 1.935 1.948 . 0 0 "[ . 1]" 1
211 1 28 SER H 1 32 ASP HB3 . . 3.650 3.096 3.045 3.330 . 0 0 "[ . 1]" 1
212 1 27 ALA MB 1 28 SER H . . 3.420 3.361 3.350 3.369 . 0 0 "[ . 1]" 1
213 1 28 SER H 1 65 THR MG . . 4.230 3.290 2.748 3.593 . 0 0 "[ . 1]" 1
214 1 28 SER H 1 33 LEU MD2 . . 5.500 5.525 5.515 5.554 0.054 9 0 "[ . 1]" 1
215 1 29 PHE H 1 30 ILE H . . 4.130 2.645 2.644 2.648 . 0 0 "[ . 1]" 1
216 1 28 SER HA 1 29 PHE H . . 3.180 2.138 2.137 2.139 . 0 0 "[ . 1]" 1
217 1 29 PHE H 1 29 PHE HB2 . . 4.170 2.692 2.669 2.702 . 0 0 "[ . 1]" 1
218 1 29 PHE H 1 29 PHE HB3 . . 4.170 3.580 3.579 3.583 . 0 0 "[ . 1]" 1
219 1 30 ILE H 1 31 ASP H . . 3.920 2.516 2.506 2.521 . 0 0 "[ . 1]" 1
220 1 29 PHE HB2 1 30 ILE H . . 4.220 3.272 3.261 3.277 . 0 0 "[ . 1]" 1
221 1 30 ILE H 1 30 ILE HB . . 3.410 2.479 2.475 2.484 . 0 0 "[ . 1]" 1
222 1 30 ILE H 1 30 ILE MG . . 3.870 3.772 3.772 3.774 . 0 0 "[ . 1]" 1
223 1 30 ILE H 1 30 ILE HG12 . . 3.630 2.411 2.403 2.423 . 0 0 "[ . 1]" 1
224 1 29 PHE HB3 1 30 ILE H . . 4.220 4.250 4.232 4.256 0.036 3 0 "[ . 1]" 1
225 1 28 SER H 1 31 ASP H . . 4.810 4.809 4.793 4.820 0.010 8 0 "[ . 1]" 1
226 1 31 ASP H 1 33 LEU H . . 4.820 3.720 3.711 3.728 . 0 0 "[ . 1]" 1
227 1 31 ASP H 1 32 ASP HA . . 5.390 5.066 5.062 5.072 . 0 0 "[ . 1]" 1
228 1 28 SER HA 1 31 ASP H . . 4.550 4.545 4.520 4.555 0.005 1 0 "[ . 1]" 1
229 1 28 SER HB2 1 31 ASP H . . 4.020 3.016 2.702 4.024 0.004 3 0 "[ . 1]" 1
230 1 28 SER HB3 1 31 ASP H . . 4.020 2.973 2.210 4.033 0.013 4 0 "[ . 1]" 1
231 1 31 ASP H 1 31 ASP HB2 . . 3.420 2.534 2.226 3.015 . 0 0 "[ . 1]" 1
232 1 31 ASP H 1 31 ASP HB3 . . 3.420 2.822 2.338 3.239 . 0 0 "[ . 1]" 1
233 1 30 ILE HB 1 31 ASP H . . 2.990 2.338 2.331 2.347 . 0 0 "[ . 1]" 1
234 1 30 ILE HG13 1 31 ASP H . . 4.880 4.757 4.751 4.766 . 0 0 "[ . 1]" 1
235 1 30 ILE MG 1 31 ASP H . . 3.460 3.232 3.225 3.245 . 0 0 "[ . 1]" 1
236 1 32 ASP H 1 33 LEU H . . 3.290 2.938 2.933 2.946 . 0 0 "[ . 1]" 1
237 1 28 SER HA 1 32 ASP H . . 5.150 4.623 4.601 4.637 . 0 0 "[ . 1]" 1
238 1 28 SER HB2 1 32 ASP H . . 4.220 2.992 2.261 4.146 . 0 0 "[ . 1]" 1
239 1 28 SER HB3 1 32 ASP H . . 4.220 3.429 2.419 3.913 . 0 0 "[ . 1]" 1
240 1 32 ASP H 1 32 ASP HB2 . . 3.690 2.195 2.095 2.215 . 0 0 "[ . 1]" 1
241 1 32 ASP H 1 32 ASP HB3 . . 3.690 2.992 2.952 3.228 . 0 0 "[ . 1]" 1
242 1 30 ILE MG 1 32 ASP H . . 5.500 5.242 5.233 5.261 . 0 0 "[ . 1]" 1
243 1 32 ASP H 1 33 LEU MD2 . . 5.140 5.166 5.155 5.171 0.031 5 0 "[ . 1]" 1
244 1 30 ILE H 1 33 LEU H . . 5.500 4.112 4.102 4.137 . 0 0 "[ . 1]" 1
245 1 33 LEU H 1 35 ALA H . . 5.500 3.752 3.660 3.801 . 0 0 "[ . 1]" 1
246 1 32 ASP HB2 1 33 LEU H . . 4.110 3.592 3.330 3.633 . 0 0 "[ . 1]" 1
247 1 32 ASP HB3 1 33 LEU H . . 4.110 2.614 2.585 2.742 . 0 0 "[ . 1]" 1
248 1 33 LEU H 1 33 LEU HG . . 3.420 2.736 2.721 2.747 . 0 0 "[ . 1]" 1
249 1 30 ILE MG 1 33 LEU H . . 5.500 5.558 5.543 5.564 0.064 8 0 "[ . 1]" 1
250 1 33 LEU H 1 33 LEU MD2 . . 3.660 3.299 3.285 3.308 . 0 0 "[ . 1]" 1
251 1 32 ASP H 1 34 GLY H . . 4.450 3.827 3.816 3.880 . 0 0 "[ . 1]" 1
252 1 32 ASP HA 1 34 GLY H . . 5.410 4.395 4.376 4.489 . 0 0 "[ . 1]" 1
253 1 30 ILE HA 1 34 GLY H . . 4.550 4.192 4.112 4.206 . 0 0 "[ . 1]" 1
254 1 32 ASP HB2 1 34 GLY H . . 5.500 5.246 5.040 5.277 . 0 0 "[ . 1]" 1
255 1 32 ASP HB3 1 34 GLY H . . 5.500 4.620 4.592 4.727 . 0 0 "[ . 1]" 1
256 1 33 LEU HB2 1 34 GLY H . . 4.620 3.164 3.065 3.183 . 0 0 "[ . 1]" 1
257 1 33 LEU HG 1 34 GLY H . . 4.610 4.540 4.476 4.553 . 0 0 "[ . 1]" 1
258 1 34 GLY H 1 35 ALA MB . . 4.650 4.172 4.113 4.207 . 0 0 "[ . 1]" 1
259 1 30 ILE MG 1 34 GLY H . . 4.930 4.731 4.674 4.743 . 0 0 "[ . 1]" 1
260 1 33 LEU MD2 1 34 GLY H . . 4.470 4.514 4.510 4.517 0.047 7 0 "[ . 1]" 1
261 1 33 LEU HB3 1 34 GLY H . . 4.620 4.083 4.029 4.095 . 0 0 "[ . 1]" 1
262 1 35 ALA H 1 36 ASP H . . 5.030 4.517 4.437 4.561 . 0 0 "[ . 1]" 1
263 1 34 GLY H 1 35 ALA H . . 3.420 2.534 2.412 2.565 . 0 0 "[ . 1]" 1
264 1 30 ILE HA 1 35 ALA H . . 3.230 2.636 2.590 2.834 . 0 0 "[ . 1]" 1
265 1 33 LEU HB2 1 35 ALA H . . 4.310 3.064 2.805 3.144 . 0 0 "[ . 1]" 1
266 1 33 LEU HB3 1 35 ALA H . . 4.310 4.121 3.852 4.204 . 0 0 "[ . 1]" 1
267 1 35 ALA H 1 35 ALA MB . . 2.880 2.308 2.219 2.352 . 0 0 "[ . 1]" 1
268 1 30 ILE MG 1 35 ALA H . . 4.100 3.894 3.828 4.101 0.001 9 0 "[ . 1]" 1
269 1 30 ILE MD 1 35 ALA H . . 4.340 4.024 3.961 4.178 . 0 0 "[ . 1]" 1
270 1 36 ASP H 1 37 SER HA . . 5.500 5.489 5.362 5.512 0.012 5 0 "[ . 1]" 1
271 1 36 ASP H 1 39 ASP HA . . 5.500 5.334 5.112 5.503 0.003 9 0 "[ . 1]" 1
272 1 30 ILE MD 1 36 ASP H . . 4.850 3.881 3.689 3.972 . 0 0 "[ . 1]" 1
273 1 37 SER H 1 37 SER HB2 . . 4.010 2.675 2.210 3.594 . 0 0 "[ . 1]" 1
274 1 36 ASP HB3 1 37 SER H . . 3.790 2.367 2.100 3.437 . 0 0 "[ . 1]" 1
275 1 30 ILE MD 1 37 SER H . . 4.870 3.452 3.350 3.617 . 0 0 "[ . 1]" 1
276 1 36 ASP HA 1 38 LEU H . . 5.500 4.354 4.262 4.475 . 0 0 "[ . 1]" 1
277 1 38 LEU H 1 38 LEU HB2 . . 3.590 2.419 2.178 2.670 . 0 0 "[ . 1]" 1
278 1 38 LEU H 1 38 LEU HB3 . . 3.590 3.279 2.490 3.586 . 0 0 "[ . 1]" 1
279 1 36 ASP H 1 39 ASP H . . 4.620 3.303 3.195 3.393 . 0 0 "[ . 1]" 1
280 1 39 ASP H 1 41 VAL H . . 5.190 4.496 4.337 4.731 . 0 0 "[ . 1]" 1
281 1 12 VAL H 1 47 PHE QE . . 5.370 3.885 3.640 4.274 . 0 0 "[ . 1]" 1
282 1 39 ASP H 1 40 THR H . . 3.870 2.814 2.628 2.921 . 0 0 "[ . 1]" 1
283 1 36 ASP H 1 40 THR H . . 5.180 4.768 4.569 5.017 . 0 0 "[ . 1]" 1
284 1 36 ASP HA 1 40 THR H . . 5.500 5.496 5.422 5.519 0.019 9 0 "[ . 1]" 1
285 1 37 SER HA 1 40 THR H . . 4.460 3.436 3.191 3.646 . 0 0 "[ . 1]" 1
286 1 40 THR H 1 40 THR HB . . 3.870 2.885 2.662 3.519 . 0 0 "[ . 1]" 1
287 1 39 ASP HB2 1 40 THR H . . 4.240 3.573 2.748 4.037 . 0 0 "[ . 1]" 1
288 1 39 ASP HB3 1 40 THR H . . 4.240 2.642 2.451 2.940 . 0 0 "[ . 1]" 1
289 1 40 THR H 1 40 THR MG . . 3.780 3.623 2.813 3.761 . 0 0 "[ . 1]" 1
290 1 30 ILE MD 1 40 THR H . . 5.060 3.398 3.290 3.472 . 0 0 "[ . 1]" 1
291 1 40 THR H 1 41 VAL H . . 3.720 2.880 2.811 2.977 . 0 0 "[ . 1]" 1
292 1 41 VAL H 1 42 GLU H . . 3.590 2.794 2.645 2.882 . 0 0 "[ . 1]" 1
293 1 40 THR HB 1 41 VAL H . . 3.850 2.379 2.122 2.945 . 0 0 "[ . 1]" 1
294 1 41 VAL H 1 41 VAL HB . . 3.210 2.594 2.560 2.662 . 0 0 "[ . 1]" 1
295 1 41 VAL H 1 41 VAL MG2 . . 3.170 2.082 1.963 2.218 . 0 0 "[ . 1]" 1
296 1 41 VAL H 1 41 VAL MG1 . . 3.990 3.764 3.759 3.765 . 0 0 "[ . 1]" 1
297 1 39 ASP HA 1 42 GLU H . . 4.590 3.642 3.482 3.752 . 0 0 "[ . 1]" 1
298 1 41 VAL HB 1 42 GLU H . . 3.500 2.509 2.309 2.886 . 0 0 "[ . 1]" 1
299 1 41 VAL MG1 1 42 GLU H . . 4.050 3.407 3.236 3.707 . 0 0 "[ . 1]" 1
300 1 41 VAL MG2 1 42 GLU H . . 4.350 3.769 3.673 3.874 . 0 0 "[ . 1]" 1
301 1 42 GLU H 1 43 LEU H . . 3.620 2.841 2.720 2.912 . 0 0 "[ . 1]" 1
302 1 39 ASP HA 1 43 LEU H . . 5.320 3.958 3.572 4.144 . 0 0 "[ . 1]" 1
303 1 40 THR HA 1 43 LEU H . . 4.200 3.771 3.678 3.867 . 0 0 "[ . 1]" 1
304 1 43 LEU H 1 43 LEU HG . . 4.500 3.345 1.957 4.493 . 0 0 "[ . 1]" 1
305 1 43 LEU H 1 43 LEU HB2 . . 4.010 2.230 2.082 2.643 . 0 0 "[ . 1]" 1
306 1 43 LEU H 1 44 VAL MG2 . . 4.530 4.284 4.217 4.370 . 0 0 "[ . 1]" 1
307 1 43 LEU H 1 43 LEU HB3 . . 4.010 3.381 2.736 3.580 . 0 0 "[ . 1]" 1
308 1 10 LYS H 1 13 VAL H . . 5.500 4.675 4.644 4.739 . 0 0 "[ . 1]" 1
309 1 40 THR HA 1 44 VAL H . . 4.470 4.053 3.931 4.147 . 0 0 "[ . 1]" 1
310 1 41 VAL HA 1 44 VAL H . . 4.640 3.705 3.629 3.858 . 0 0 "[ . 1]" 1
311 1 41 VAL H 1 44 VAL H . . 5.500 4.868 4.805 4.968 . 0 0 "[ . 1]" 1
312 1 44 VAL H 1 47 PHE QD . . 5.500 4.213 3.919 4.460 . 0 0 "[ . 1]" 1
313 1 44 VAL H 1 44 VAL HB . . 3.150 2.598 2.561 2.659 . 0 0 "[ . 1]" 1
314 1 43 LEU HB2 1 44 VAL H . . 4.210 2.773 2.272 3.624 . 0 0 "[ . 1]" 1
315 1 44 VAL H 1 44 VAL MG2 . . 3.150 2.129 1.935 2.204 . 0 0 "[ . 1]" 1
316 1 43 LEU HB3 1 44 VAL H . . 4.210 2.971 2.441 3.484 . 0 0 "[ . 1]" 1
317 1 42 GLU HA 1 45 MET H . . 4.180 3.733 3.678 3.918 . 0 0 "[ . 1]" 1
318 1 41 VAL HA 1 45 MET H . . 4.720 3.998 3.591 4.151 . 0 0 "[ . 1]" 1
319 1 45 MET H 1 45 MET HG2 . . 4.170 3.063 2.262 3.925 . 0 0 "[ . 1]" 1
320 1 45 MET H 1 45 MET HG3 . . 4.170 3.104 2.540 3.764 . 0 0 "[ . 1]" 1
321 1 44 VAL HB 1 45 MET H . . 3.070 2.411 2.328 2.502 . 0 0 "[ . 1]" 1
322 1 45 MET H 1 46 ALA MB . . 4.790 4.334 4.270 4.404 . 0 0 "[ . 1]" 1
323 1 41 VAL MG1 1 45 MET H . . 4.130 3.911 3.768 4.046 . 0 0 "[ . 1]" 1
324 1 42 GLU HA 1 46 ALA H . . 5.160 4.162 4.043 4.230 . 0 0 "[ . 1]" 1
325 1 43 LEU HA 1 46 ALA H . . 4.190 3.580 3.504 3.745 . 0 0 "[ . 1]" 1
326 1 46 ALA H 1 48 GLU HB2 . . 5.280 5.046 4.889 5.256 . 0 0 "[ . 1]" 1
327 1 46 ALA H 1 46 ALA MB . . 3.120 2.071 2.025 2.159 . 0 0 "[ . 1]" 1
328 1 44 VAL MG2 1 46 ALA H . . 5.500 5.430 5.273 5.506 0.006 9 0 "[ . 1]" 1
329 1 46 ALA H 1 47 PHE HB2 . . 5.490 5.006 4.683 5.248 . 0 0 "[ . 1]" 1
330 1 46 ALA H 1 47 PHE H . . 3.480 2.859 2.799 2.931 . 0 0 "[ . 1]" 1
331 1 47 PHE H 1 47 PHE QD . . 3.860 3.050 2.959 3.249 . 0 0 "[ . 1]" 1
332 1 47 PHE H 1 47 PHE HB2 . . 3.580 2.526 2.236 2.693 . 0 0 "[ . 1]" 1
333 1 47 PHE H 1 47 PHE HB3 . . 3.660 3.572 3.525 3.589 . 0 0 "[ . 1]" 1
334 1 47 PHE H 1 48 GLU HB2 . . 4.870 4.669 4.530 4.781 . 0 0 "[ . 1]" 1
335 1 46 ALA MB 1 47 PHE H . . 3.440 2.438 2.254 2.528 . 0 0 "[ . 1]" 1
336 1 11 ILE MD 1 47 PHE H . . 5.170 4.869 4.642 5.062 . 0 0 "[ . 1]" 1
337 1 11 ILE MG 1 47 PHE H . . 4.670 4.660 4.543 4.680 0.010 9 0 "[ . 1]" 1
338 1 47 PHE H 1 73 ILE MD . . 5.500 4.548 4.363 4.649 . 0 0 "[ . 1]" 1
339 1 48 GLU H 1 49 GLU H . . 3.750 2.687 2.598 2.793 . 0 0 "[ . 1]" 1
340 1 48 GLU H 1 51 PHE QD . . 5.340 5.255 5.051 5.341 0.001 5 0 "[ . 1]" 1
341 1 47 PHE QD 1 48 GLU H . . 4.670 4.301 4.137 4.496 . 0 0 "[ . 1]" 1
342 1 47 PHE HB3 1 48 GLU H . . 4.030 3.651 3.234 3.928 . 0 0 "[ . 1]" 1
343 1 48 GLU H 1 48 GLU HB3 . . 3.690 3.335 3.026 3.579 . 0 0 "[ . 1]" 1
344 1 46 ALA HA 1 49 GLU H . . 4.170 3.571 3.425 3.764 . 0 0 "[ . 1]" 1
345 1 48 GLU HB2 1 49 GLU H . . 3.650 3.037 2.630 3.487 . 0 0 "[ . 1]" 1
346 1 49 GLU H 1 49 GLU HB3 . . 3.070 2.656 2.432 2.942 . 0 0 "[ . 1]" 1
347 1 46 ALA MB 1 49 GLU H . . 5.130 4.620 4.489 4.800 . 0 0 "[ . 1]" 1
348 1 49 GLU H 1 50 GLU H . . 3.490 2.454 2.406 2.520 . 0 0 "[ . 1]" 1
349 1 48 GLU H 1 50 GLU H . . 5.000 3.913 3.813 3.980 . 0 0 "[ . 1]" 1
350 1 47 PHE QD 1 50 GLU H . . 5.500 5.215 5.137 5.287 . 0 0 "[ . 1]" 1
351 1 50 GLU H 1 53 VAL H . . 5.500 5.275 5.047 5.477 . 0 0 "[ . 1]" 1
352 1 47 PHE HA 1 50 GLU H . . 4.240 3.321 3.266 3.403 . 0 0 "[ . 1]" 1
353 1 46 ALA HA 1 50 GLU H . . 4.780 4.245 4.175 4.297 . 0 0 "[ . 1]" 1
354 1 48 GLU HA 1 50 GLU H . . 5.210 4.218 4.085 4.388 . 0 0 "[ . 1]" 1
355 1 47 PHE HB3 1 50 GLU H . . 5.250 5.155 5.036 5.230 . 0 0 "[ . 1]" 1
356 1 50 GLU H 1 51 PHE HB2 . . 5.030 4.580 4.327 4.872 . 0 0 "[ . 1]" 1
357 1 49 GLU HB3 1 50 GLU H . . 3.280 2.947 2.886 3.004 . 0 0 "[ . 1]" 1
358 1 50 GLU H 1 50 GLU HB2 . . 3.630 2.307 2.155 2.441 . 0 0 "[ . 1]" 1
359 1 50 GLU H 1 50 GLU HB3 . . 3.630 3.157 2.684 3.582 . 0 0 "[ . 1]" 1
360 1 50 GLU H 1 50 GLU HG2 . . 4.870 3.873 2.615 4.657 . 0 0 "[ . 1]" 1
361 1 50 GLU H 1 50 GLU HG3 . . 4.870 4.083 2.823 4.623 . 0 0 "[ . 1]" 1
362 1 11 ILE MD 1 50 GLU H . . 5.070 5.038 4.882 5.072 0.002 4 0 "[ . 1]" 1
363 1 50 GLU H 1 51 PHE H . . 3.770 2.564 2.394 2.762 . 0 0 "[ . 1]" 1
364 1 51 PHE H 1 51 PHE QD . . 3.370 2.501 2.061 2.711 . 0 0 "[ . 1]" 1
365 1 47 PHE HA 1 51 PHE H . . 4.900 3.750 3.375 3.974 . 0 0 "[ . 1]" 1
366 1 48 GLU HA 1 51 PHE H . . 4.760 3.758 3.497 3.979 . 0 0 "[ . 1]" 1
367 1 51 PHE H 1 51 PHE HB3 . . 3.760 3.531 3.477 3.582 . 0 0 "[ . 1]" 1
368 1 51 PHE H 1 51 PHE HB2 . . 3.290 2.253 2.180 2.344 . 0 0 "[ . 1]" 1
369 1 50 GLU HB2 1 51 PHE H . . 3.670 3.083 2.443 3.664 . 0 0 "[ . 1]" 1
370 1 50 GLU HG2 1 51 PHE H . . 5.050 4.726 4.510 5.050 0.000 10 0 "[ . 1]" 1
371 1 50 GLU HB3 1 51 PHE H . . 3.670 2.843 2.237 3.630 . 0 0 "[ . 1]" 1
372 1 51 PHE H 1 73 ILE MG . . 4.550 4.290 4.132 4.432 . 0 0 "[ . 1]" 1
373 1 11 ILE MD 1 51 PHE H . . 5.260 5.020 4.905 5.205 . 0 0 "[ . 1]" 1
374 1 52 GLY H 1 53 VAL H . . 3.250 2.524 2.272 2.749 . 0 0 "[ . 1]" 1
375 1 48 GLU HA 1 52 GLY H . . 4.730 3.735 3.520 3.992 . 0 0 "[ . 1]" 1
376 1 51 PHE HB3 1 52 GLY H . . 4.250 3.739 3.634 3.860 . 0 0 "[ . 1]" 1
377 1 51 PHE HB2 1 52 GLY H . . 3.940 3.116 3.050 3.180 . 0 0 "[ . 1]" 1
378 1 48 GLU HB3 1 52 GLY H . . 5.500 5.090 4.873 5.324 . 0 0 "[ . 1]" 1
379 1 52 GLY H 1 53 VAL MG2 . . 3.950 3.644 3.490 3.802 . 0 0 "[ . 1]" 1
380 1 52 GLY H 1 73 ILE MG . . 5.500 5.399 5.224 5.500 0.000 3 0 "[ . 1]" 1
381 1 48 GLU HA 1 53 VAL H . . 3.790 2.977 2.580 3.243 . 0 0 "[ . 1]" 1
382 1 51 PHE HB3 1 53 VAL H . . 4.800 4.156 3.491 4.708 . 0 0 "[ . 1]" 1
383 1 51 PHE HB2 1 53 VAL H . . 4.550 3.710 3.013 4.088 . 0 0 "[ . 1]" 1
384 1 48 GLU HB2 1 53 VAL H . . 5.500 5.124 4.824 5.293 . 0 0 "[ . 1]" 1
385 1 48 GLU HB3 1 53 VAL H . . 4.470 4.036 3.392 4.443 . 0 0 "[ . 1]" 1
386 1 53 VAL H 1 53 VAL MG2 . . 3.330 2.022 1.933 2.182 . 0 0 "[ . 1]" 1
387 1 53 VAL H 1 73 ILE MG . . 5.500 5.337 4.905 5.504 0.004 9 0 "[ . 1]" 1
388 1 53 VAL HA 1 54 GLU H . . 2.770 2.397 2.222 2.577 . 0 0 "[ . 1]" 1
389 1 53 VAL HB 1 54 GLU H . . 2.960 2.438 2.079 2.897 . 0 0 "[ . 1]" 1
390 1 54 GLU H 1 76 ALA MB . . 4.560 3.753 3.286 4.262 . 0 0 "[ . 1]" 1
391 1 53 VAL MG1 1 54 GLU H . . 3.810 3.634 3.453 3.798 . 0 0 "[ . 1]" 1
392 1 55 ILE H 1 55 ILE HB . . 4.020 3.756 3.723 3.807 . 0 0 "[ . 1]" 1
393 1 56 PRO HA 1 57 ASP H . . 3.020 2.359 2.228 2.440 . 0 0 "[ . 1]" 1
394 1 56 PRO HB2 1 57 ASP H . . 3.950 2.728 2.514 3.119 . 0 0 "[ . 1]" 1
395 1 56 PRO HB3 1 57 ASP H . . 3.810 3.516 3.404 3.735 . 0 0 "[ . 1]" 1
396 1 58 ASP H 1 59 ALA H . . 3.130 2.634 2.479 2.741 . 0 0 "[ . 1]" 1
397 1 56 PRO HA 1 58 ASP H . . 4.680 4.186 4.002 4.457 . 0 0 "[ . 1]" 1
398 1 56 PRO HB2 1 58 ASP H . . 4.630 2.466 2.346 2.643 . 0 0 "[ . 1]" 1
399 1 56 PRO HB3 1 58 ASP H . . 4.430 4.140 3.999 4.327 . 0 0 "[ . 1]" 1
400 1 58 ASP H 1 60 ALA MB . . 5.480 5.131 4.592 5.480 . 0 0 "[ . 1]" 1
401 1 58 ASP H 1 59 ALA MB . . 4.400 4.281 4.070 4.399 . 0 0 "[ . 1]" 1
402 1 59 ALA H 1 60 ALA H . . 3.140 2.792 2.679 2.947 . 0 0 "[ . 1]" 1
403 1 56 PRO HA 1 59 ALA H . . 5.260 4.731 4.579 4.885 . 0 0 "[ . 1]" 1
404 1 56 PRO HD2 1 59 ALA H . . 4.340 4.282 3.985 4.347 0.007 4 0 "[ . 1]" 1
405 1 56 PRO HB2 1 59 ALA H . . 4.800 3.066 2.794 3.455 . 0 0 "[ . 1]" 1
406 1 59 ALA H 1 60 ALA MB . . 4.580 4.387 4.257 4.456 . 0 0 "[ . 1]" 1
407 1 59 ALA H 1 59 ALA MB . . 2.920 2.202 2.074 2.236 . 0 0 "[ . 1]" 1
408 1 57 ASP HA 1 60 ALA H . . 3.910 3.713 3.494 3.885 . 0 0 "[ . 1]" 1
409 1 60 ALA H 1 61 GLU HB2 . . 5.500 4.912 4.699 5.127 . 0 0 "[ . 1]" 1
410 1 60 ALA H 1 60 ALA MB . . 3.100 2.135 2.034 2.239 . 0 0 "[ . 1]" 1
411 1 59 ALA MB 1 60 ALA H . . 3.550 2.625 2.287 2.916 . 0 0 "[ . 1]" 1
412 1 58 ASP HA 1 61 GLU H . . 4.500 3.450 3.250 3.703 . 0 0 "[ . 1]" 1
413 1 61 GLU H 1 61 GLU HB2 . . 3.060 2.457 2.258 2.597 . 0 0 "[ . 1]" 1
414 1 60 ALA MB 1 61 GLU H . . 3.540 2.902 2.818 2.963 . 0 0 "[ . 1]" 1
415 1 59 ALA MB 1 61 GLU H . . 4.900 4.304 4.151 4.437 . 0 0 "[ . 1]" 1
416 1 60 ALA H 1 62 THR H . . 5.500 4.111 4.016 4.271 . 0 0 "[ . 1]" 1
417 1 60 ALA HA 1 62 THR H . . 4.740 4.040 3.531 4.280 . 0 0 "[ . 1]" 1
418 1 61 GLU HB2 1 62 THR H . . 3.790 3.053 2.892 3.667 . 0 0 "[ . 1]" 1
419 1 62 THR H 1 62 THR MG . . 3.430 2.277 2.050 2.636 . 0 0 "[ . 1]" 1
420 1 62 THR H 1 63 ILE MD . . 5.310 4.645 4.243 4.948 . 0 0 "[ . 1]" 1
421 1 60 ALA HA 1 63 ILE H . . 4.370 3.514 3.337 3.760 . 0 0 "[ . 1]" 1
422 1 63 ILE H 1 63 ILE HB . . 3.370 2.524 2.505 2.651 . 0 0 "[ . 1]" 1
423 1 62 THR MG 1 63 ILE H . . 4.660 3.929 3.870 4.050 . 0 0 "[ . 1]" 1
424 1 63 ILE H 1 63 ILE MG . . 4.030 3.783 3.764 3.793 . 0 0 "[ . 1]" 1
425 1 63 ILE H 1 64 LEU H . . 4.740 4.242 4.158 4.371 . 0 0 "[ . 1]" 1
426 1 62 THR HA 1 64 LEU H . . 5.500 5.076 4.755 5.361 . 0 0 "[ . 1]" 1
427 1 64 LEU H 1 68 ASP HA . . 5.500 5.126 4.731 5.382 . 0 0 "[ . 1]" 1
428 1 63 ILE HA 1 64 LEU H . . 3.050 2.185 2.147 2.244 . 0 0 "[ . 1]" 1
429 1 64 LEU H 1 68 ASP HB2 . . 3.790 2.599 2.295 3.110 . 0 0 "[ . 1]" 1
430 1 64 LEU H 1 68 ASP HB3 . . 3.790 2.974 2.685 3.403 . 0 0 "[ . 1]" 1
431 1 64 LEU H 1 64 LEU HG . . 3.270 2.650 2.373 2.982 . 0 0 "[ . 1]" 1
432 1 63 ILE MG 1 64 LEU H . . 3.410 3.193 2.989 3.403 . 0 0 "[ . 1]" 1
433 1 63 ILE MD 1 64 LEU H . . 5.500 5.309 4.031 5.505 0.005 9 0 "[ . 1]" 1
434 1 64 LEU H 1 65 THR H . . 3.480 2.267 2.071 2.352 . 0 0 "[ . 1]" 1
435 1 65 THR H 1 68 ASP H . . 4.870 3.620 3.247 3.900 . 0 0 "[ . 1]" 1
436 1 28 SER HA 1 65 THR H . . 5.070 4.420 4.222 4.587 . 0 0 "[ . 1]" 1
437 1 65 THR H 1 68 ASP HA . . 5.480 5.290 5.031 5.448 . 0 0 "[ . 1]" 1
438 1 63 ILE HA 1 65 THR H . . 4.370 4.123 3.808 4.259 . 0 0 "[ . 1]" 1
439 1 65 THR H 1 68 ASP HB2 . . 4.280 2.778 2.542 3.054 . 0 0 "[ . 1]" 1
440 1 65 THR H 1 68 ASP HB3 . . 4.280 3.993 3.359 4.282 0.002 10 0 "[ . 1]" 1
441 1 64 LEU HB2 1 65 THR H . . 4.310 2.267 2.144 2.576 . 0 0 "[ . 1]" 1
442 1 64 LEU HB3 1 65 THR H . . 4.310 3.542 3.266 3.758 . 0 0 "[ . 1]" 1
443 1 64 LEU HG 1 65 THR H . . 4.880 4.077 3.741 4.391 . 0 0 "[ . 1]" 1
444 1 65 THR H 1 65 THR MG . . 3.540 2.637 2.226 3.033 . 0 0 "[ . 1]" 1
445 1 28 SER HA 1 66 VAL H . . 4.310 3.816 3.757 4.010 . 0 0 "[ . 1]" 1
446 1 66 VAL H 1 67 GLY H . . 4.220 2.840 2.770 2.877 . 0 0 "[ . 1]" 1
447 1 24 THR H 1 66 VAL H . . 5.500 5.449 5.256 5.501 0.001 10 0 "[ . 1]" 1
448 1 65 THR HB 1 66 VAL H . . 3.650 2.333 2.024 2.582 . 0 0 "[ . 1]" 1
449 1 25 GLU HA 1 66 VAL H . . 4.730 4.218 3.902 4.561 . 0 0 "[ . 1]" 1
450 1 65 THR MG 1 66 VAL H . . 4.160 3.644 3.399 3.806 . 0 0 "[ . 1]" 1
451 1 66 VAL H 1 66 VAL MG2 . . 3.470 2.007 1.952 2.066 . 0 0 "[ . 1]" 1
452 1 65 THR HA 1 67 GLY H . . 5.140 4.509 4.369 4.658 . 0 0 "[ . 1]" 1
453 1 65 THR HB 1 67 GLY H . . 3.930 3.042 2.783 3.292 . 0 0 "[ . 1]" 1
454 1 25 GLU HA 1 67 GLY H . . 3.330 2.407 2.140 2.743 . 0 0 "[ . 1]" 1
455 1 66 VAL HB 1 67 GLY H . . 3.600 2.530 2.449 2.684 . 0 0 "[ . 1]" 1
456 1 27 ALA MB 1 67 GLY H . . 5.300 4.878 4.729 5.033 . 0 0 "[ . 1]" 1
457 1 67 GLY H 1 70 VAL MG2 . . 4.600 4.323 4.175 4.411 . 0 0 "[ . 1]" 1
458 1 66 VAL MG1 1 67 GLY H . . 3.990 3.422 3.328 3.550 . 0 0 "[ . 1]" 1
459 1 68 ASP H 1 69 ALA H . . 3.480 2.770 2.720 2.874 . 0 0 "[ . 1]" 1
460 1 64 LEU H 1 68 ASP H . . 5.010 4.581 4.223 4.865 . 0 0 "[ . 1]" 1
461 1 67 GLY H 1 68 ASP H . . 3.440 2.836 2.800 2.940 . 0 0 "[ . 1]" 1
462 1 67 GLY HA3 1 68 ASP H . . 3.420 2.848 2.676 2.929 . 0 0 "[ . 1]" 1
463 1 68 ASP H 1 68 ASP HB2 . . 3.740 2.364 2.167 2.529 . 0 0 "[ . 1]" 1
464 1 68 ASP H 1 68 ASP HB3 . . 3.740 3.443 2.829 3.597 . 0 0 "[ . 1]" 1
465 1 68 ASP H 1 69 ALA MB . . 4.410 4.284 4.233 4.357 . 0 0 "[ . 1]" 1
466 1 18 VAL MG1 1 19 ASP H . . 3.750 3.541 3.399 3.651 . 0 0 "[ . 1]" 1
467 1 66 VAL MG1 1 68 ASP H . . 5.350 4.854 4.707 5.138 . 0 0 "[ . 1]" 1
468 1 67 GLY H 1 69 ALA H . . 5.270 4.648 4.539 4.708 . 0 0 "[ . 1]" 1
469 1 29 PHE QD 1 69 ALA H . . 5.500 5.505 5.499 5.514 0.014 9 0 "[ . 1]" 1
470 1 68 ASP HB2 1 69 ALA H . . 4.310 2.557 2.276 3.446 . 0 0 "[ . 1]" 1
471 1 68 ASP HB3 1 69 ALA H . . 4.310 3.056 2.257 3.387 . 0 0 "[ . 1]" 1
472 1 69 ALA H 1 70 VAL HB . . 5.230 5.037 4.977 5.093 . 0 0 "[ . 1]" 1
473 1 69 ALA H 1 69 ALA MB . . 3.190 2.036 2.023 2.086 . 0 0 "[ . 1]" 1
474 1 63 ILE MG 1 69 ALA H . . 3.790 2.324 1.968 3.118 . 0 0 "[ . 1]" 1
475 1 66 VAL MG1 1 69 ALA H . . 4.940 4.627 4.570 4.677 . 0 0 "[ . 1]" 1
476 1 67 GLY HA2 1 70 VAL H . . 4.320 3.871 3.709 3.980 . 0 0 "[ . 1]" 1
477 1 66 VAL HA 1 70 VAL H . . 5.420 3.863 3.752 4.040 . 0 0 "[ . 1]" 1
478 1 70 VAL H 1 70 VAL HB . . 3.310 2.555 2.526 2.582 . 0 0 "[ . 1]" 1
479 1 69 ALA MB 1 70 VAL H . . 3.460 2.535 2.426 2.714 . 0 0 "[ . 1]" 1
480 1 70 VAL H 1 70 VAL MG2 . . 3.050 2.176 2.082 2.228 . 0 0 "[ . 1]" 1
481 1 8 VAL MG2 1 70 VAL H . . 5.240 3.926 3.677 4.169 . 0 0 "[ . 1]" 1
482 1 66 VAL MG1 1 70 VAL H . . 5.460 3.474 3.313 3.667 . 0 0 "[ . 1]" 1
483 1 70 VAL H 1 73 ILE MD . . 5.380 4.180 3.827 4.346 . 0 0 "[ . 1]" 1
484 1 68 ASP HA 1 71 LYS H . . 4.460 3.820 3.715 3.947 . 0 0 "[ . 1]" 1
485 1 67 GLY HA2 1 71 LYS H . . 5.010 3.656 3.567 3.765 . 0 0 "[ . 1]" 1
486 1 70 VAL HB 1 71 LYS H . . 3.420 2.311 2.249 2.398 . 0 0 "[ . 1]" 1
487 1 70 VAL MG1 1 71 LYS H . . 4.410 3.176 3.116 3.256 . 0 0 "[ . 1]" 1
488 1 72 PHE H 1 72 PHE QD . . 4.290 3.999 3.489 4.097 . 0 0 "[ . 1]" 1
489 1 68 ASP HA 1 72 PHE H . . 5.020 4.106 4.009 4.132 . 0 0 "[ . 1]" 1
490 1 72 PHE H 1 72 PHE HB2 . . 3.330 2.174 2.079 2.223 . 0 0 "[ . 1]" 1
491 1 72 PHE H 1 72 PHE HB3 . . 3.350 3.004 2.918 3.265 . 0 0 "[ . 1]" 1
492 1 70 VAL HB 1 72 PHE H . . 5.210 4.718 4.676 4.771 . 0 0 "[ . 1]" 1
493 1 69 ALA MB 1 72 PHE H . . 5.330 4.601 4.548 4.662 . 0 0 "[ . 1]" 1
494 1 72 PHE H 1 73 ILE HG13 . . 5.500 4.450 4.297 4.578 . 0 0 "[ . 1]" 1
495 1 4 THR MG 1 72 PHE H . . 5.500 5.383 5.235 5.501 0.001 10 0 "[ . 1]" 1
496 1 70 VAL MG2 1 72 PHE H . . 5.500 5.161 5.112 5.222 . 0 0 "[ . 1]" 1
497 1 72 PHE H 1 73 ILE MD . . 5.240 4.848 4.578 4.991 . 0 0 "[ . 1]" 1
498 1 73 ILE H 1 74 ASP H . . 3.750 2.740 2.697 2.790 . 0 0 "[ . 1]" 1
499 1 72 PHE H 1 73 ILE H . . 3.420 2.752 2.649 2.817 . 0 0 "[ . 1]" 1
500 1 73 ILE H 1 75 LYS H . . 4.940 4.309 4.149 4.738 . 0 0 "[ . 1]" 1
501 1 72 PHE QD 1 73 ILE H . . 4.300 4.034 3.899 4.299 . 0 0 "[ . 1]" 1
502 1 73 ILE H 1 74 ASP HA . . 5.400 5.339 5.294 5.380 . 0 0 "[ . 1]" 1
503 1 72 PHE HB3 1 73 ILE H . . 3.240 2.319 2.204 2.449 . 0 0 "[ . 1]" 1
504 1 73 ILE H 1 73 ILE HB . . 2.910 2.577 2.566 2.597 . 0 0 "[ . 1]" 1
505 1 4 THR MG 1 73 ILE H . . 4.430 4.288 4.203 4.387 . 0 0 "[ . 1]" 1
506 1 73 ILE H 1 73 ILE HG12 . . 3.840 3.508 3.449 3.613 . 0 0 "[ . 1]" 1
507 1 63 ILE MD 1 73 ILE H . . 5.440 4.729 4.504 5.436 . 0 0 "[ . 1]" 1
508 1 73 ILE H 1 73 ILE MD . . 3.300 3.191 2.958 3.302 0.002 5 0 "[ . 1]" 1
509 1 73 ILE H 1 73 ILE HG13 . . 3.240 2.022 1.982 2.087 . 0 0 "[ . 1]" 1
510 1 72 PHE H 1 74 ASP H . . 4.740 3.905 3.735 4.021 . 0 0 "[ . 1]" 1
511 1 74 ASP H 1 75 LYS H . . 3.280 2.580 2.446 2.696 . 0 0 "[ . 1]" 1
512 1 71 LYS HA 1 74 ASP H . . 3.700 3.677 3.610 3.701 0.001 3 0 "[ . 1]" 1
513 1 70 VAL HA 1 74 ASP H . . 4.410 4.108 4.047 4.154 . 0 0 "[ . 1]" 1
514 1 73 ILE HB 1 74 ASP H . . 3.200 2.732 2.651 2.953 . 0 0 "[ . 1]" 1
515 1 4 THR MG 1 74 ASP H . . 3.530 2.803 2.671 2.940 . 0 0 "[ . 1]" 1
516 1 73 ILE HG12 1 74 ASP H . . 5.310 5.130 5.091 5.235 . 0 0 "[ . 1]" 1
517 1 73 ILE MG 1 74 ASP H . . 3.790 3.551 3.459 3.677 . 0 0 "[ . 1]" 1
518 1 72 PHE HA 1 75 LYS H . . 5.440 3.498 3.351 3.760 . 0 0 "[ . 1]" 1
519 1 73 ILE HA 1 75 LYS H . . 5.500 4.609 4.440 5.075 . 0 0 "[ . 1]" 1
520 1 74 ASP H 1 76 ALA H . . 4.740 3.991 3.663 4.239 . 0 0 "[ . 1]" 1
521 1 75 LYS H 1 76 ALA H . . 3.060 2.647 2.498 2.719 . 0 0 "[ . 1]" 1
522 1 74 ASP HA 1 76 ALA H . . 4.710 4.352 4.072 4.646 . 0 0 "[ . 1]" 1
523 1 76 ALA H 1 76 ALA HA . . 2.940 2.885 2.856 2.911 . 0 0 "[ . 1]" 1
524 1 72 PHE HA 1 76 ALA H . . 5.070 4.024 3.922 4.163 . 0 0 "[ . 1]" 1
525 1 73 ILE HA 1 76 ALA H . . 3.800 3.660 3.491 3.785 . 0 0 "[ . 1]" 1
526 1 53 VAL HB 1 76 ALA H . . 5.500 5.488 5.454 5.502 0.002 5 0 "[ . 1]" 1
527 1 76 ALA H 1 76 ALA MB . . 2.650 2.217 2.078 2.291 . 0 0 "[ . 1]" 1
528 1 53 VAL MG1 1 76 ALA H . . 4.670 4.319 4.147 4.533 . 0 0 "[ . 1]" 1
529 1 73 ILE MG 1 76 ALA H . . 4.970 4.807 4.599 4.964 . 0 0 "[ . 1]" 1
530 1 76 ALA H 1 77 SER H . . 3.440 2.392 2.247 2.527 . 0 0 "[ . 1]" 1
531 1 73 ILE HA 1 77 SER H . . 4.820 4.132 3.977 4.820 0.000 10 0 "[ . 1]" 1
532 1 77 SER H 1 78 ALA MB . . 5.200 4.440 4.320 4.605 . 0 0 "[ . 1]" 1
533 1 76 ALA MB 1 77 SER H . . 3.370 2.937 2.842 3.379 0.009 10 0 "[ . 1]" 1
534 1 53 VAL MG1 1 77 SER H . . 4.210 3.362 3.190 3.942 . 0 0 "[ . 1]" 1
535 1 73 ILE MG 1 77 SER H . . 4.880 4.180 4.056 4.832 . 0 0 "[ . 1]" 1
536 1 77 SER HB3 1 78 ALA H . . 4.490 3.211 2.645 3.986 . 0 0 "[ . 1]" 1
537 1 78 ALA H 1 78 ALA MB . . 2.810 2.313 2.097 2.635 . 0 0 "[ . 1]" 1
538 1 53 VAL MG1 1 78 ALA H . . 5.150 4.720 4.404 4.871 . 0 0 "[ . 1]" 1
539 1 8 VAL MG2 1 73 ILE MD . . 3.990 1.893 1.711 2.221 . 0 0 "[ . 1]" 1
540 1 8 VAL MG2 1 51 PHE QE . . 4.210 3.287 2.816 3.522 . 0 0 "[ . 1]" 1
541 1 5 ALA MB 1 70 VAL MG2 . . 3.780 3.246 2.873 3.483 . 0 0 "[ . 1]" 1
542 1 20 ALA MB 1 23 VAL MG2 . . 4.080 3.297 3.120 3.447 . 0 0 "[ . 1]" 1
543 1 3 ASP HA 1 6 GLU HB2 . . 3.910 3.274 3.001 3.694 . 0 0 "[ . 1]" 1
544 1 4 THR HA 1 4 THR MG . . 3.590 2.283 2.143 2.380 . 0 0 "[ . 1]" 1
545 1 4 THR MG 1 73 ILE MG . . 3.500 2.504 2.092 2.786 . 0 0 "[ . 1]" 1
546 1 4 THR MG 1 70 VAL HA . . 3.580 3.187 3.019 3.374 . 0 0 "[ . 1]" 1
547 1 5 ALA MB 1 70 VAL MG1 . . 3.560 2.269 2.027 2.578 . 0 0 "[ . 1]" 1
548 1 13 VAL MG2 1 20 ALA MB . . 3.270 2.336 2.022 2.674 . 0 0 "[ . 1]" 1
549 1 8 VAL HA 1 11 ILE MD . . 4.140 3.044 2.646 3.529 . 0 0 "[ . 1]" 1
550 1 8 VAL HA 1 8 VAL MG1 . . 3.710 2.313 2.292 2.354 . 0 0 "[ . 1]" 1
551 1 8 VAL HA 1 8 VAL MG2 . . 3.520 2.297 2.279 2.336 . 0 0 "[ . 1]" 1
552 1 8 VAL HA 1 11 ILE HB . . 4.180 3.265 3.054 3.430 . 0 0 "[ . 1]" 1
553 1 8 VAL HA 1 47 PHE QE . . 4.060 3.121 2.050 4.053 . 0 0 "[ . 1]" 1
554 1 9 LYS HA 1 23 VAL MG1 . . 3.650 2.227 2.051 2.369 . 0 0 "[ . 1]" 1
555 1 8 VAL MG1 1 9 LYS HA . . 4.330 3.379 3.295 3.504 . 0 0 "[ . 1]" 1
556 1 8 VAL HB 1 9 LYS HA . . 4.280 4.183 4.162 4.199 . 0 0 "[ . 1]" 1
557 1 9 LYS HA 1 12 VAL HB . . 4.000 2.519 2.398 2.693 . 0 0 "[ . 1]" 1
558 1 11 ILE MD 1 11 ILE MG . . 3.470 2.024 1.908 2.275 . 0 0 "[ . 1]" 1
559 1 11 ILE HA 1 11 ILE MD . . 4.410 3.861 3.813 3.884 . 0 0 "[ . 1]" 1
560 1 11 ILE MD 1 47 PHE QD . . 3.860 2.266 2.102 2.454 . 0 0 "[ . 1]" 1
561 1 11 ILE MD 1 47 PHE QE . . 4.310 2.616 1.963 3.186 . 0 0 "[ . 1]" 1
562 1 10 LYS HA 1 11 ILE HG13 . . 5.480 5.273 5.209 5.376 . 0 0 "[ . 1]" 1
563 1 11 ILE MG 1 12 VAL MG2 . . 4.540 3.599 3.464 3.720 . 0 0 "[ . 1]" 1
564 1 11 ILE MG 1 47 PHE QE . . 4.180 2.470 2.072 3.216 . 0 0 "[ . 1]" 1
565 1 12 VAL HA 1 12 VAL MG2 . . 3.530 2.355 2.325 2.395 . 0 0 "[ . 1]" 1
566 1 12 VAL HA 1 12 VAL MG1 . . 3.520 2.363 2.309 2.403 . 0 0 "[ . 1]" 1
567 1 11 ILE MG 1 12 VAL HA . . 4.480 3.551 3.448 3.716 . 0 0 "[ . 1]" 1
568 1 9 LYS HA 1 12 VAL MG2 . . 4.540 2.583 2.486 2.779 . 0 0 "[ . 1]" 1
569 1 12 VAL MG2 1 29 PHE QE . . 4.160 2.898 2.767 3.040 . 0 0 "[ . 1]" 1
570 1 12 VAL MG2 1 29 PHE QD . . 4.350 4.334 4.231 4.356 0.006 9 0 "[ . 1]" 1
571 1 12 VAL MG2 1 47 PHE QE . . 4.250 2.735 2.531 3.095 . 0 0 "[ . 1]" 1
572 1 13 VAL HA 1 18 VAL MG2 . . 3.620 2.574 2.425 2.718 . 0 0 "[ . 1]" 1
573 1 13 VAL HA 1 23 VAL MG2 . . 4.380 4.000 3.780 4.381 0.001 5 0 "[ . 1]" 1
574 1 13 VAL HA 1 13 VAL MG2 . . 3.020 2.381 2.370 2.392 . 0 0 "[ . 1]" 1
575 1 10 LYS HA 1 13 VAL MG2 . . 3.850 3.198 2.616 3.618 . 0 0 "[ . 1]" 1
576 1 8 VAL MG1 1 12 VAL MG2 . . 3.730 2.269 2.103 2.350 . 0 0 "[ . 1]" 1
577 1 16 LEU HG 1 18 VAL MG2 . . 4.400 3.629 2.600 4.401 0.001 4 0 "[ . 1]" 1
578 1 18 VAL MG2 1 22 LYS HB2 . . 4.640 3.570 3.245 3.984 . 0 0 "[ . 1]" 1
579 1 16 LEU HB3 1 18 VAL MG2 . . 4.300 2.705 1.954 3.246 . 0 0 "[ . 1]" 1
580 1 16 LEU HB2 1 18 VAL MG2 . . 4.300 2.948 2.550 3.258 . 0 0 "[ . 1]" 1
581 1 19 ASP HA 1 20 ALA MB . . 4.070 3.978 3.926 4.019 . 0 0 "[ . 1]" 1
582 1 13 VAL MG2 1 19 ASP HA . . 4.110 4.059 3.769 4.113 0.003 4 0 "[ . 1]" 1
583 1 19 ASP HA 1 20 ALA HA . . 4.500 4.331 4.323 4.338 . 0 0 "[ . 1]" 1
584 1 13 VAL MG2 1 20 ALA HA . . 3.080 2.211 1.936 2.471 . 0 0 "[ . 1]" 1
585 1 20 ALA HA 1 23 VAL MG2 . . 3.150 2.004 1.908 2.148 . 0 0 "[ . 1]" 1
586 1 5 ALA HA 1 70 VAL MG2 . . 3.560 2.392 2.225 2.506 . 0 0 "[ . 1]" 1
587 1 20 ALA HA 1 23 VAL HB . . 4.150 3.072 2.641 3.633 . 0 0 "[ . 1]" 1
588 1 23 VAL HA 1 23 VAL MG1 . . 3.650 2.308 2.271 2.375 . 0 0 "[ . 1]" 1
589 1 23 VAL HA 1 23 VAL MG2 . . 3.720 2.419 2.377 2.462 . 0 0 "[ . 1]" 1
590 1 23 VAL HA 1 66 VAL MG1 . . 4.250 4.171 4.035 4.253 0.003 10 0 "[ . 1]" 1
591 1 24 THR HA 1 24 THR MG . . 3.090 2.391 2.282 2.441 . 0 0 "[ . 1]" 1
592 1 24 THR HB 1 25 GLU H . . 4.430 2.493 2.288 2.712 . 0 0 "[ . 1]" 1
593 1 25 GLU HA 1 66 VAL HB . . 3.210 2.490 2.104 2.784 . 0 0 "[ . 1]" 1
594 1 25 GLU HA 1 70 VAL MG2 . . 4.830 4.534 4.204 4.803 . 0 0 "[ . 1]" 1
595 1 25 GLU HA 1 66 VAL MG1 . . 3.360 3.217 2.935 3.361 0.001 1 0 "[ . 1]" 1
596 1 27 ALA HA 1 33 LEU MD2 . . 5.500 5.510 5.506 5.513 0.013 8 0 "[ . 1]" 1
597 1 27 ALA HA 1 32 ASP HB2 . . 4.470 3.051 3.023 3.168 . 0 0 "[ . 1]" 1
598 1 27 ALA HA 1 32 ASP HB3 . . 4.470 3.737 3.722 3.787 . 0 0 "[ . 1]" 1
599 1 27 ALA HA 1 28 SER HA . . 4.910 4.409 4.405 4.412 . 0 0 "[ . 1]" 1
600 1 27 ALA MB 1 33 LEU MD2 . . 3.910 3.857 3.772 3.914 0.004 3 0 "[ . 1]" 1
601 1 23 VAL HA 1 27 ALA MB . . 3.990 2.942 2.707 3.211 . 0 0 "[ . 1]" 1
602 1 30 ILE HA 1 30 ILE MD . . 4.560 2.007 1.955 2.093 . 0 0 "[ . 1]" 1
603 1 18 VAL MG2 1 33 LEU MD2 . . 3.840 2.951 2.684 3.106 . 0 0 "[ . 1]" 1
604 1 18 VAL MG1 1 33 LEU MD2 . . 5.500 3.026 2.806 3.358 . 0 0 "[ . 1]" 1
605 1 22 LYS HB2 1 33 LEU MD2 . . 4.550 4.203 3.774 4.535 . 0 0 "[ . 1]" 1
606 1 33 LEU HA 1 33 LEU MD2 . . 4.130 1.943 1.940 1.948 . 0 0 "[ . 1]" 1
607 1 30 ILE MD 1 35 ALA HA . . 4.750 4.713 4.634 4.737 . 0 0 "[ . 1]" 1
608 1 30 ILE MD 1 35 ALA MB . . 3.440 2.950 2.882 3.010 . 0 0 "[ . 1]" 1
609 1 35 ALA MB 1 40 THR HA . . 5.500 5.188 4.845 5.456 . 0 0 "[ . 1]" 1
610 1 30 ILE HA 1 35 ALA MB . . 4.010 2.903 2.845 2.978 . 0 0 "[ . 1]" 1
611 1 30 ILE MG 1 36 ASP HA . . 4.460 3.280 3.118 3.445 . 0 0 "[ . 1]" 1
612 1 30 ILE MD 1 36 ASP HA . . 4.460 2.721 2.537 3.008 . 0 0 "[ . 1]" 1
613 1 35 ALA MB 1 36 ASP HA . . 4.690 4.051 3.933 4.088 . 0 0 "[ . 1]" 1
614 1 30 ILE HG13 1 36 ASP HA . . 5.500 5.187 4.948 5.476 . 0 0 "[ . 1]" 1
615 1 30 ILE HG13 1 37 SER HA . . 4.740 4.745 4.740 4.757 0.017 9 0 "[ . 1]" 1
616 1 30 ILE MG 1 37 SER HA . . 5.070 4.853 4.738 4.951 . 0 0 "[ . 1]" 1
617 1 30 ILE MD 1 37 SER HA . . 4.410 2.627 2.591 2.667 . 0 0 "[ . 1]" 1
618 1 41 VAL HA 1 41 VAL MG2 . . 3.320 2.376 2.319 2.434 . 0 0 "[ . 1]" 1
619 1 41 VAL HA 1 41 VAL MG1 . . 3.640 2.316 2.247 2.356 . 0 0 "[ . 1]" 1
620 1 41 VAL HA 1 44 VAL MG2 . . 4.110 2.803 2.518 3.139 . 0 0 "[ . 1]" 1
621 1 41 VAL HA 1 44 VAL HB . . 3.960 2.850 2.662 2.967 . 0 0 "[ . 1]" 1
622 1 41 VAL MG1 1 42 GLU HA . . 4.190 3.488 3.359 3.642 . 0 0 "[ . 1]" 1
623 1 44 VAL HA 1 44 VAL MG2 . . 3.370 2.363 2.325 2.433 . 0 0 "[ . 1]" 1
624 1 44 VAL HA 1 47 PHE HB2 . . 4.390 3.084 2.661 3.356 . 0 0 "[ . 1]" 1
625 1 44 VAL HA 1 47 PHE QD . . 3.680 2.400 2.059 3.158 . 0 0 "[ . 1]" 1
626 1 46 ALA HA 1 49 GLU HB3 . . 3.650 3.169 2.782 3.613 . 0 0 "[ . 1]" 1
627 1 11 ILE MG 1 46 ALA MB . . 3.560 3.171 2.938 3.338 . 0 0 "[ . 1]" 1
628 1 43 LEU HA 1 46 ALA MB . . 4.070 2.646 2.462 2.766 . 0 0 "[ . 1]" 1
629 1 48 GLU HA 1 51 PHE HB2 . . 4.630 3.426 2.953 3.823 . 0 0 "[ . 1]" 1
630 1 48 GLU HA 1 53 VAL MG2 . . 3.640 1.930 1.900 1.962 . 0 0 "[ . 1]" 1
631 1 53 VAL MG2 1 73 ILE MG . . 4.070 3.084 2.830 3.302 . 0 0 "[ . 1]" 1
632 1 53 VAL MG2 1 76 ALA MB . . 3.960 2.689 2.475 2.933 . 0 0 "[ . 1]" 1
633 1 51 PHE HB3 1 53 VAL MG2 . . 4.310 3.354 2.726 4.027 . 0 0 "[ . 1]" 1
634 1 53 VAL MG2 1 73 ILE HA . . 4.320 3.195 2.969 3.383 . 0 0 "[ . 1]" 1
635 1 51 PHE HB2 1 53 VAL MG2 . . 4.760 2.833 2.440 3.335 . 0 0 "[ . 1]" 1
636 1 55 ILE HA 1 56 PRO HD2 . . 3.790 2.417 2.386 2.430 . 0 0 "[ . 1]" 1
637 1 56 PRO HD3 1 59 ALA MB . . 4.580 3.977 3.517 4.357 . 0 0 "[ . 1]" 1
638 1 56 PRO HD3 1 72 PHE QE . . 5.150 4.606 4.017 5.152 0.002 3 0 "[ . 1]" 1
639 1 56 PRO HD2 1 72 PHE QE . . 4.300 3.441 2.806 3.938 . 0 0 "[ . 1]" 1
640 1 38 LEU HA 1 38 LEU HG . . 3.960 3.027 2.269 3.696 . 0 0 "[ . 1]" 1
641 1 59 ALA HA 1 61 GLU H . . 4.830 3.854 3.651 3.961 . 0 0 "[ . 1]" 1
642 1 59 ALA HA 1 62 THR H . . 5.020 3.277 2.961 3.689 . 0 0 "[ . 1]" 1
643 1 56 PRO HD2 1 59 ALA MB . . 3.730 2.603 2.184 2.867 . 0 0 "[ . 1]" 1
644 1 60 ALA HA 1 63 ILE HB . . 4.450 3.199 2.816 3.862 . 0 0 "[ . 1]" 1
645 1 59 ALA MB 1 60 ALA HA . . 5.070 3.825 3.765 3.890 . 0 0 "[ . 1]" 1
646 1 44 VAL MG2 1 60 ALA HA . . 4.660 2.833 2.104 3.712 . 0 0 "[ . 1]" 1
647 1 57 ASP HA 1 60 ALA MB . . 4.130 3.485 2.607 3.933 . 0 0 "[ . 1]" 1
648 1 62 THR HA 1 64 LEU HG . . 4.140 3.873 3.396 4.086 . 0 0 "[ . 1]" 1
649 1 62 THR HA 1 62 THR MG . . 3.030 2.400 2.282 2.455 . 0 0 "[ . 1]" 1
650 1 62 THR HA 1 64 LEU MD1 . . 4.340 3.894 2.840 4.338 . 0 0 "[ . 1]" 1
651 1 62 THR HA 1 64 LEU MD2 . . 4.340 4.078 3.453 4.347 0.007 9 0 "[ . 1]" 1
652 1 62 THR HB 1 63 ILE H . . 5.300 4.154 4.074 4.180 . 0 0 "[ . 1]" 1
653 1 61 GLU HB2 1 62 THR MG . . 4.030 3.243 3.004 3.444 . 0 0 "[ . 1]" 1
654 1 63 ILE MD 1 63 ILE MG . . 3.670 1.973 1.915 2.059 . 0 0 "[ . 1]" 1
655 1 63 ILE MG 1 69 ALA MB . . 3.710 1.986 1.844 2.364 . 0 0 "[ . 1]" 1
656 1 29 PHE QD 1 63 ILE MG . . 4.050 3.479 3.256 3.711 . 0 0 "[ . 1]" 1
657 1 29 PHE H 1 65 THR HA . . 4.210 3.202 3.105 3.284 . 0 0 "[ . 1]" 1
658 1 66 VAL HA 1 66 VAL MG2 . . 3.720 2.415 2.390 2.433 . 0 0 "[ . 1]" 1
659 1 66 VAL HA 1 66 VAL MG1 . . 3.610 2.311 2.293 2.329 . 0 0 "[ . 1]" 1
660 1 66 VAL HA 1 70 VAL MG2 . . 4.050 3.591 3.504 3.658 . 0 0 "[ . 1]" 1
661 1 66 VAL HA 1 69 ALA MB . . 4.010 2.897 2.703 3.028 . 0 0 "[ . 1]" 1
662 1 29 PHE QD 1 66 VAL HA . . 4.480 4.484 4.476 4.490 0.010 7 0 "[ . 1]" 1
663 1 66 VAL MG1 1 69 ALA MB . . 4.520 3.590 3.432 3.704 . 0 0 "[ . 1]" 1
664 1 27 ALA MB 1 66 VAL MG2 . . 4.210 1.870 1.853 1.887 . 0 0 "[ . 1]" 1
665 1 29 PHE QD 1 66 VAL MG2 . . 4.670 3.742 3.688 3.807 . 0 0 "[ . 1]" 1
666 1 67 GLY HA2 1 70 VAL MG2 . . 4.770 3.252 2.978 3.423 . 0 0 "[ . 1]" 1
667 1 67 GLY HA2 1 70 VAL HB . . 4.380 2.871 2.697 3.016 . 0 0 "[ . 1]" 1
668 1 67 GLY HA3 1 70 VAL HB . . 5.270 4.513 4.321 4.652 . 0 0 "[ . 1]" 1
669 1 63 ILE MD 1 69 ALA HA . . 4.000 2.482 2.001 2.865 . 0 0 "[ . 1]" 1
670 1 8 VAL MG1 1 69 ALA HA . . 5.500 5.001 4.832 5.131 . 0 0 "[ . 1]" 1
671 1 69 ALA HA 1 70 VAL MG2 . . 5.500 4.929 4.902 4.947 . 0 0 "[ . 1]" 1
672 1 63 ILE MG 1 69 ALA HA . . 3.500 2.450 2.132 3.015 . 0 0 "[ . 1]" 1
673 1 69 ALA HA 1 72 PHE HB2 . . 4.260 2.915 2.775 2.954 . 0 0 "[ . 1]" 1
674 1 69 ALA HA 1 72 PHE HB3 . . 4.070 3.343 3.195 3.734 . 0 0 "[ . 1]" 1
675 1 69 ALA HA 1 72 PHE QD . . 4.830 3.921 3.878 3.962 . 0 0 "[ . 1]" 1
676 1 69 ALA HA 1 73 ILE H . . 4.890 4.083 3.924 4.176 . 0 0 "[ . 1]" 1
677 1 69 ALA MB 1 73 ILE MD . . 4.480 3.017 2.828 3.179 . 0 0 "[ . 1]" 1
678 1 8 VAL MG2 1 69 ALA MB . . 4.720 3.693 3.483 3.987 . 0 0 "[ . 1]" 1
679 1 8 VAL MG1 1 69 ALA MB . . 3.920 2.673 2.527 2.795 . 0 0 "[ . 1]" 1
680 1 69 ALA MB 1 70 VAL MG2 . . 4.270 3.018 2.940 3.090 . 0 0 "[ . 1]" 1
681 1 69 ALA MB 1 72 PHE QD . . 5.110 5.110 5.089 5.114 0.004 5 0 "[ . 1]" 1
682 1 70 VAL HA 1 73 ILE MD . . 4.240 2.590 2.299 2.808 . 0 0 "[ . 1]" 1
683 1 70 VAL HA 1 73 ILE HB . . 4.090 3.131 3.084 3.189 . 0 0 "[ . 1]" 1
684 1 70 VAL HA 1 70 VAL MG1 . . 3.330 2.379 2.342 2.399 . 0 0 "[ . 1]" 1
685 1 8 VAL MG2 1 70 VAL HA . . 4.170 1.985 1.935 2.123 . 0 0 "[ . 1]" 1
686 1 70 VAL HA 1 73 ILE H . . 4.850 3.643 3.523 3.738 . 0 0 "[ . 1]" 1
687 1 70 VAL MG1 1 73 ILE HB . . 4.390 4.098 3.968 4.255 . 0 0 "[ . 1]" 1
688 1 5 ALA HA 1 70 VAL MG1 . . 4.240 1.957 1.892 2.152 . 0 0 "[ . 1]" 1
689 1 4 THR HB 1 70 VAL MG1 . . 4.030 2.914 2.502 3.432 . 0 0 "[ . 1]" 1
690 1 70 VAL H 1 70 VAL MG1 . . 4.400 3.764 3.763 3.765 . 0 0 "[ . 1]" 1
691 1 73 ILE HA 1 73 ILE HG13 . . 4.170 2.770 2.639 2.844 . 0 0 "[ . 1]" 1
692 1 73 ILE HA 1 76 ALA MB . . 3.830 2.905 2.583 3.408 . 0 0 "[ . 1]" 1
693 1 4 THR MG 1 73 ILE HA . . 5.030 4.580 4.254 4.840 . 0 0 "[ . 1]" 1
694 1 53 VAL MG1 1 73 ILE HA . . 5.190 3.824 3.636 4.132 . 0 0 "[ . 1]" 1
695 1 73 ILE HA 1 73 ILE HG12 . . 4.000 2.748 2.693 2.868 . 0 0 "[ . 1]" 1
696 1 73 ILE HA 1 73 ILE MG . . 3.680 2.349 2.306 2.389 . 0 0 "[ . 1]" 1
697 1 72 PHE QD 1 73 ILE HA . . 4.740 4.046 3.801 4.667 . 0 0 "[ . 1]" 1
698 1 53 VAL MG1 1 76 ALA MB . . 3.650 2.314 1.943 2.597 . 0 0 "[ . 1]" 1
699 1 3 ASP HA 1 4 THR HA . . 4.860 4.733 4.685 4.779 . 0 0 "[ . 1]" 1
700 1 3 ASP HA 1 5 ALA H . . 5.060 4.802 4.684 4.937 . 0 0 "[ . 1]" 1
701 1 5 ALA MB 1 6 GLU HA . . 4.630 3.684 3.627 3.774 . 0 0 "[ . 1]" 1
702 1 10 LYS HA 1 13 VAL HB . . 3.860 3.072 2.808 3.238 . 0 0 "[ . 1]" 1
703 1 11 ILE HA 1 14 GLU HB3 . . 4.440 2.927 2.607 3.382 . 0 0 "[ . 1]" 1
704 1 11 ILE HA 1 14 GLU HB2 . . 4.420 3.538 3.330 3.784 . 0 0 "[ . 1]" 1
705 1 11 ILE HA 1 11 ILE HG12 . . 4.040 2.612 2.510 2.693 . 0 0 "[ . 1]" 1
706 1 11 ILE HA 1 11 ILE HG13 . . 3.860 2.945 2.836 3.059 . 0 0 "[ . 1]" 1
707 1 11 ILE HB 1 47 PHE QE . . 4.440 2.040 1.998 2.274 . 0 0 "[ . 1]" 1
708 1 11 ILE HB 1 12 VAL H . . 4.520 2.817 2.658 2.975 . 0 0 "[ . 1]" 1
709 1 18 VAL HA 1 18 VAL MG1 . . 3.280 2.382 2.318 2.436 . 0 0 "[ . 1]" 1
710 1 18 VAL HA 1 18 VAL MG2 . . 3.630 3.192 3.183 3.201 . 0 0 "[ . 1]" 1
711 1 19 ASP HB3 1 22 LYS HG2 . . 4.410 3.852 3.684 4.042 . 0 0 "[ . 1]" 1
712 1 19 ASP HB3 1 22 LYS HG3 . . 4.240 2.136 2.007 2.313 . 0 0 "[ . 1]" 1
713 1 19 ASP HB2 1 22 LYS HG2 . . 5.270 5.075 4.895 5.244 . 0 0 "[ . 1]" 1
714 1 22 LYS HA 1 22 LYS HG3 . . 3.920 3.225 3.054 3.317 . 0 0 "[ . 1]" 1
715 1 13 VAL MG2 1 23 VAL HB . . 4.900 3.850 3.581 4.195 . 0 0 "[ . 1]" 1
716 1 23 VAL HB 1 24 THR MG . . 5.500 4.604 4.479 4.743 . 0 0 "[ . 1]" 1
717 1 20 ALA MB 1 23 VAL HB . . 4.350 3.648 3.386 3.859 . 0 0 "[ . 1]" 1
718 1 30 ILE MG 1 31 ASP HA . . 3.730 3.581 3.577 3.587 . 0 0 "[ . 1]" 1
719 1 19 ASP HB3 1 21 ASP H . . 4.720 3.381 3.192 3.537 . 0 0 "[ . 1]" 1
720 1 40 THR HB 1 41 VAL HA . . 4.110 3.973 3.843 4.106 . 0 0 "[ . 1]" 1
721 1 38 LEU HA 1 41 VAL HB . . 4.520 3.163 2.939 3.562 . 0 0 "[ . 1]" 1
722 1 38 LEU HA 1 41 VAL MG2 . . 4.400 3.105 2.398 3.856 . 0 0 "[ . 1]" 1
723 1 51 PHE HB3 1 53 VAL MG1 . . 4.350 2.513 2.268 2.786 . 0 0 "[ . 1]" 1
724 1 44 VAL MG2 1 45 MET H . . 3.970 3.760 3.705 3.805 . 0 0 "[ . 1]" 1
725 1 47 PHE HA 1 47 PHE QD . . 3.790 2.207 2.137 2.356 . 0 0 "[ . 1]" 1
726 1 53 VAL MG2 1 54 GLU H . . 4.450 3.475 2.918 3.827 . 0 0 "[ . 1]" 1
727 1 53 VAL HA 1 53 VAL MG1 . . 3.280 2.301 2.230 2.407 . 0 0 "[ . 1]" 1
728 1 53 VAL HB 1 76 ALA MB . . 4.200 2.242 2.077 2.496 . 0 0 "[ . 1]" 1
729 1 54 GLU HA 1 54 GLU HG3 . . 4.120 3.371 2.828 3.859 . 0 0 "[ . 1]" 1
730 1 54 GLU HA 1 54 GLU HG2 . . 4.120 2.986 2.408 3.681 . 0 0 "[ . 1]" 1
731 1 53 VAL MG1 1 77 SER HA . . 4.650 2.429 2.209 2.862 . 0 0 "[ . 1]" 1
732 1 55 ILE HA 1 56 PRO HD3 . . 3.530 2.306 2.294 2.312 . 0 0 "[ . 1]" 1
733 1 58 ASP HA 1 61 GLU HB2 . . 3.940 3.385 2.798 3.939 . 0 0 "[ . 1]" 1
734 1 59 ALA HA 1 62 THR MG . . 4.290 2.454 2.089 2.937 . 0 0 "[ . 1]" 1
735 1 61 GLU HB2 1 62 THR HA . . 4.680 4.450 4.268 4.658 . 0 0 "[ . 1]" 1
736 1 63 ILE HA 1 68 ASP HB2 . . 4.600 2.727 2.363 3.400 . 0 0 "[ . 1]" 1
737 1 66 VAL HB 1 70 VAL MG2 . . 4.040 3.928 3.849 4.027 . 0 0 "[ . 1]" 1
738 1 63 ILE HA 1 68 ASP HB3 . . 4.600 2.080 1.999 2.510 . 0 0 "[ . 1]" 1
739 1 70 VAL HA 1 70 VAL MG2 . . 3.360 2.373 2.351 2.398 . 0 0 "[ . 1]" 1
740 1 72 PHE HB3 1 76 ALA H . . 5.500 5.334 5.243 5.391 . 0 0 "[ . 1]" 1
741 1 72 PHE HA 1 72 PHE QD . . 4.190 2.586 2.521 2.847 . 0 0 "[ . 1]" 1
742 1 4 THR MG 1 73 ILE HB . . 4.190 2.668 2.516 2.829 . 0 0 "[ . 1]" 1
743 1 47 PHE HB3 1 73 ILE HG12 . . 4.850 2.525 2.299 2.961 . 0 0 "[ . 1]" 1
744 1 77 SER HB2 1 78 ALA H . . 4.490 3.959 2.948 4.254 . 0 0 "[ . 1]" 1
745 1 55 ILE HA 1 72 PHE QE . . 4.800 4.269 3.805 4.582 . 0 0 "[ . 1]" 1
746 1 8 VAL MG2 1 47 PHE QE . . 4.790 4.138 3.359 4.791 0.001 2 0 "[ . 1]" 1
747 1 8 VAL HB 1 70 VAL MG2 . . 4.410 2.149 1.952 2.508 . 0 0 "[ . 1]" 1
748 1 73 ILE HA 1 77 SER HA . . 5.500 5.469 5.344 5.500 0.000 5 0 "[ . 1]" 1
749 1 24 THR HA 1 24 THR HB . . 3.020 2.422 2.381 2.485 . 0 0 "[ . 1]" 1
750 1 13 VAL HB 1 14 GLU HB2 . . 4.180 4.082 3.918 4.189 0.009 9 0 "[ . 1]" 1
751 1 8 VAL HB 1 70 VAL HB . . 5.300 4.996 4.712 5.301 0.001 2 0 "[ . 1]" 1
752 1 60 ALA HA 1 63 ILE MD . . 4.160 2.651 2.239 3.182 . 0 0 "[ . 1]" 1
753 1 60 ALA MB 1 63 ILE MD . . 4.180 3.807 3.386 4.181 0.001 3 0 "[ . 1]" 1
754 1 62 THR HA 1 62 THR HB . . 2.470 2.399 2.380 2.455 . 0 0 "[ . 1]" 1
755 1 28 SER HA 1 65 THR HA . . 3.770 2.002 1.995 2.035 . 0 0 "[ . 1]" 1
756 1 23 VAL MG1 1 66 VAL MG2 . . 3.690 2.270 2.020 2.645 . 0 0 "[ . 1]" 1
757 1 66 VAL MG1 1 67 GLY HA2 . . 4.610 3.541 3.476 3.637 . 0 0 "[ . 1]" 1
758 1 66 VAL MG1 1 70 VAL MG2 . . 3.360 1.892 1.825 2.020 . 0 0 "[ . 1]" 1
759 1 69 ALA MB 1 70 VAL HA . . 4.960 3.665 3.623 3.711 . 0 0 "[ . 1]" 1
760 1 8 VAL MG1 1 73 ILE MD . . 4.220 2.673 2.302 3.049 . 0 0 "[ . 1]" 1
761 1 47 PHE HB3 1 73 ILE MD . . 4.460 2.063 1.955 2.271 . 0 0 "[ . 1]" 1
762 1 51 PHE QD 1 73 ILE MD . . 5.170 3.720 3.306 4.218 . 0 0 "[ . 1]" 1
763 1 47 PHE QD 1 73 ILE MD . . 4.920 2.408 2.144 2.545 . 0 0 "[ . 1]" 1
764 1 47 PHE HB3 1 73 ILE MG . . 5.160 3.039 2.808 3.306 . 0 0 "[ . 1]" 1
765 1 76 ALA HA 1 77 SER HA . . 5.500 4.837 4.801 4.847 . 0 0 "[ . 1]" 1
766 1 47 PHE HA 1 51 PHE QD . . 4.200 3.161 2.698 3.365 . 0 0 "[ . 1]" 1
767 1 51 PHE HA 1 51 PHE QD . . 4.000 3.019 2.873 3.119 . 0 0 "[ . 1]" 1
768 1 51 PHE QD 1 73 ILE MG . . 3.980 2.559 2.329 2.657 . 0 0 "[ . 1]" 1
769 1 1 MET HA 1 1 MET QG . . 3.650 2.856 2.259 3.422 . 0 0 "[ . 1]" 1
770 1 1 MET QB 1 2 SER H . . 4.260 3.462 2.379 4.045 . 0 0 "[ . 1]" 1
771 1 2 SER QB 1 3 ASP H . . 3.610 3.005 2.542 3.512 . 0 0 "[ . 1]" 1
772 1 2 SER QB 1 3 ASP HA . . 4.730 4.369 4.245 4.554 . 0 0 "[ . 1]" 1
773 1 2 SER QB 1 5 ALA H . . 3.610 2.696 2.290 3.476 . 0 0 "[ . 1]" 1
774 1 3 ASP H 1 6 GLU QG . . 5.340 5.081 4.848 5.288 . 0 0 "[ . 1]" 1
775 1 3 ASP HA 1 6 GLU QG . . 4.630 3.891 3.179 4.278 . 0 0 "[ . 1]" 1
776 1 3 ASP QB 1 5 ALA H . . 5.270 4.780 4.478 5.233 . 0 0 "[ . 1]" 1
777 1 5 ALA MB 1 9 LYS QG . . 3.870 3.632 3.355 3.878 0.008 2 0 "[ . 1]" 1
778 1 6 GLU H 1 6 GLU QG . . 3.130 2.490 2.376 2.661 . 0 0 "[ . 1]" 1
779 1 6 GLU HA 1 6 GLU QG . . 3.310 2.409 2.187 2.658 . 0 0 "[ . 1]" 1
780 1 6 GLU HA 1 9 LYS QB . . 4.070 3.394 2.895 4.053 . 0 0 "[ . 1]" 1
781 1 6 GLU HA 1 9 LYS QD . . 4.010 2.741 1.983 4.010 0.000 10 0 "[ . 1]" 1
782 1 6 GLU QG 1 7 ARG H . . 4.720 4.186 4.071 4.310 . 0 0 "[ . 1]" 1
783 1 7 ARG H 1 7 ARG QG . . 4.080 3.196 2.334 4.059 . 0 0 "[ . 1]" 1
784 1 7 ARG HA 1 7 ARG QG . . 3.460 2.456 2.133 2.757 . 0 0 "[ . 1]" 1
785 1 7 ARG HB2 1 7 ARG QD . . 3.610 2.743 2.177 3.282 . 0 0 "[ . 1]" 1
786 1 8 VAL HB 1 9 LYS QG . . 4.680 3.470 3.026 4.159 . 0 0 "[ . 1]" 1
787 1 9 LYS H 1 9 LYS QB . . 3.370 2.492 2.349 2.577 . 0 0 "[ . 1]" 1
788 1 10 LYS H 1 10 LYS QB . . 2.770 2.225 2.158 2.247 . 0 0 "[ . 1]" 1
789 1 10 LYS H 1 10 LYS QG . . 4.720 3.603 2.687 4.035 . 0 0 "[ . 1]" 1
790 1 10 LYS HA 1 10 LYS QG . . 3.650 2.465 2.188 2.897 . 0 0 "[ . 1]" 1
791 1 10 LYS HA 1 10 LYS QD . . 4.510 3.497 2.056 4.194 . 0 0 "[ . 1]" 1
792 1 10 LYS QB 1 11 ILE H . . 3.380 2.279 2.151 2.435 . 0 0 "[ . 1]" 1
793 1 11 ILE MG 1 43 LEU QD . . 4.160 3.452 3.129 4.150 . 0 0 "[ . 1]" 1
794 1 11 ILE MG 1 50 GLU QG . . 3.940 3.635 2.977 3.941 0.001 5 0 "[ . 1]" 1
795 1 11 ILE MD 1 50 GLU QB . . 4.100 2.878 2.788 2.926 . 0 0 "[ . 1]" 1
796 1 11 ILE MD 1 50 GLU QG . . 4.050 2.393 1.900 3.243 . 0 0 "[ . 1]" 1
797 1 12 VAL H 1 43 LEU QD . . 5.440 4.573 4.247 5.258 . 0 0 "[ . 1]" 1
798 1 12 VAL HA 1 15 HIS QB . . 4.370 2.663 2.286 2.873 . 0 0 "[ . 1]" 1
799 1 12 VAL HA 1 43 LEU QD . . 3.700 2.866 2.597 3.317 . 0 0 "[ . 1]" 1
800 1 12 VAL MG1 1 43 LEU QD . . 5.440 2.710 2.363 3.026 . 0 0 "[ . 1]" 1
801 1 12 VAL MG2 1 43 LEU QD . . 3.930 2.460 2.074 3.177 . 0 0 "[ . 1]" 1
802 1 14 GLU H 1 14 GLU QG . . 3.950 3.952 3.929 4.011 0.061 9 0 "[ . 1]" 1
803 1 14 GLU H 1 15 HIS QB . . 4.720 4.220 4.173 4.273 . 0 0 "[ . 1]" 1
804 1 15 HIS H 1 15 HIS QB . . 3.260 2.284 2.225 2.337 . 0 0 "[ . 1]" 1
805 1 15 HIS QB 1 16 LEU H . . 3.320 2.316 2.197 2.383 . 0 0 "[ . 1]" 1
806 1 15 HIS QB 1 17 GLY H . . 5.170 4.336 4.283 4.442 . 0 0 "[ . 1]" 1
807 1 16 LEU H 1 16 LEU QB . . 3.030 2.203 2.129 2.401 . 0 0 "[ . 1]" 1
808 1 16 LEU H 1 16 LEU QD . . 3.800 2.594 2.006 3.418 . 0 0 "[ . 1]" 1
809 1 16 LEU H 1 17 GLY QA . . 4.720 4.354 4.302 4.363 . 0 0 "[ . 1]" 1
810 1 16 LEU H 1 43 LEU QD . . 4.490 4.228 3.979 4.441 . 0 0 "[ . 1]" 1
811 1 16 LEU HA 1 16 LEU QD . . 3.960 2.050 1.960 2.330 . 0 0 "[ . 1]" 1
812 1 16 LEU QB 1 17 GLY H . . 3.600 2.819 2.704 2.919 . 0 0 "[ . 1]" 1
813 1 16 LEU QB 1 18 VAL H . . 3.880 2.846 2.523 3.008 . 0 0 "[ . 1]" 1
814 1 16 LEU QB 1 18 VAL MG1 . . 3.380 2.282 1.944 3.024 . 0 0 "[ . 1]" 1
815 1 16 LEU QB 1 18 VAL MG2 . . 3.720 2.396 1.938 2.717 . 0 0 "[ . 1]" 1
816 1 16 LEU QD 1 17 GLY H . . 4.910 3.846 3.649 4.143 . 0 0 "[ . 1]" 1
817 1 16 LEU QD 1 33 LEU MD2 . . 5.410 3.775 3.197 4.481 . 0 0 "[ . 1]" 1
818 1 16 LEU QD 1 43 LEU QD . . 4.440 2.339 1.763 3.244 . 0 0 "[ . 1]" 1
819 1 17 GLY QA 1 18 VAL H . . 3.070 2.785 2.764 2.833 . 0 0 "[ . 1]" 1
820 1 17 GLY QA 1 18 VAL MG1 . . 5.230 3.813 3.759 3.894 . 0 0 "[ . 1]" 1
821 1 18 VAL MG1 1 33 LEU QB . . 4.300 4.274 4.028 4.302 0.002 4 0 "[ . 1]" 1
822 1 19 ASP H 1 22 LYS QD . . 4.440 3.385 2.611 4.428 . 0 0 "[ . 1]" 1
823 1 21 ASP H 1 21 ASP QB . . 2.690 2.300 2.186 2.501 . 0 0 "[ . 1]" 1
824 1 21 ASP QB 1 22 LYS H . . 3.940 2.870 2.635 3.542 . 0 0 "[ . 1]" 1
825 1 21 ASP QB 1 23 VAL H . . 5.340 4.682 4.493 5.052 . 0 0 "[ . 1]" 1
826 1 22 LYS HA 1 22 LYS QD . . 4.400 4.011 3.721 4.247 . 0 0 "[ . 1]" 1
827 1 22 LYS HB2 1 22 LYS QD . . 2.880 2.548 2.222 2.859 . 0 0 "[ . 1]" 1
828 1 25 GLU H 1 25 GLU QB . . 3.430 2.317 2.212 2.472 . 0 0 "[ . 1]" 1
829 1 25 GLU H 1 25 GLU QG . . 4.190 3.016 2.545 3.961 . 0 0 "[ . 1]" 1
830 1 25 GLU HA 1 25 GLU QG . . 3.360 2.635 2.257 3.325 . 0 0 "[ . 1]" 1
831 1 25 GLU QB 1 25 GLU QG . . 2.370 2.037 1.990 2.083 . 0 0 "[ . 1]" 1
832 1 25 GLU QB 1 26 GLY H . . 4.180 2.983 2.646 3.547 . 0 0 "[ . 1]" 1
833 1 25 GLU QB 1 67 GLY H . . 4.270 3.687 3.075 4.215 . 0 0 "[ . 1]" 1
834 1 25 GLU QB 1 67 GLY HA2 . . 4.760 3.761 2.741 4.354 . 0 0 "[ . 1]" 1
835 1 25 GLU QB 1 67 GLY HA3 . . 4.500 3.157 2.308 3.982 . 0 0 "[ . 1]" 1
836 1 25 GLU QG 1 26 GLY H . . 4.960 3.703 2.052 4.650 . 0 0 "[ . 1]" 1
837 1 25 GLU QG 1 67 GLY H . . 4.490 4.000 3.132 4.446 . 0 0 "[ . 1]" 1
838 1 25 GLU QG 1 67 GLY HA2 . . 4.700 3.598 2.697 4.704 0.004 10 0 "[ . 1]" 1
839 1 25 GLU QG 1 67 GLY HA3 . . 4.470 3.409 2.088 4.029 . 0 0 "[ . 1]" 1
840 1 26 GLY QA 1 65 THR MG . . 4.910 2.832 2.607 3.053 . 0 0 "[ . 1]" 1
841 1 27 ALA HA 1 28 SER QB . . 4.420 4.313 4.125 4.419 . 0 0 "[ . 1]" 1
842 1 27 ALA HA 1 32 ASP QB . . 3.830 2.922 2.899 3.016 . 0 0 "[ . 1]" 1
843 1 28 SER H 1 28 SER QB . . 3.100 2.392 2.185 2.599 . 0 0 "[ . 1]" 1
844 1 28 SER H 1 31 ASP QB . . 4.620 4.572 4.493 4.631 0.011 6 0 "[ . 1]" 1
845 1 28 SER H 1 32 ASP QB . . 3.120 1.925 1.919 1.933 . 0 0 "[ . 1]" 1
846 1 28 SER QB 1 30 ILE MG . . 4.930 4.361 4.221 4.933 0.003 3 0 "[ . 1]" 1
847 1 28 SER QB 1 31 ASP QB . . 3.880 2.898 2.537 3.422 . 0 0 "[ . 1]" 1
848 1 28 SER QB 1 32 ASP H . . 3.600 2.673 2.238 3.411 . 0 0 "[ . 1]" 1
849 1 28 SER QB 1 32 ASP QB . . 5.180 3.023 2.739 3.586 . 0 0 "[ . 1]" 1
850 1 28 SER QB 1 33 LEU H . . 5.040 4.577 4.307 5.045 0.005 4 0 "[ . 1]" 1
851 1 28 SER QB 1 65 THR MG . . 5.170 2.853 2.059 3.460 . 0 0 "[ . 1]" 1
852 1 29 PHE H 1 29 PHE QB . . 3.560 2.619 2.600 2.626 . 0 0 "[ . 1]" 1
853 1 29 PHE QB 1 30 ILE H . . 3.580 3.170 3.159 3.176 . 0 0 "[ . 1]" 1
854 1 30 ILE MG 1 34 GLY QA . . 5.320 4.160 4.151 4.197 . 0 0 "[ . 1]" 1
855 1 31 ASP H 1 31 ASP QB . . 2.910 2.282 2.189 2.358 . 0 0 "[ . 1]" 1
856 1 31 ASP H 1 32 ASP QB . . 4.700 4.067 4.010 4.077 . 0 0 "[ . 1]" 1
857 1 31 ASP QB 1 32 ASP H . . 3.850 2.200 2.093 2.311 . 0 0 "[ . 1]" 1
858 1 31 ASP QB 1 34 GLY H . . 5.340 4.431 4.381 4.487 . 0 0 "[ . 1]" 1
859 1 32 ASP H 1 32 ASP QB . . 3.230 2.142 2.070 2.155 . 0 0 "[ . 1]" 1
860 1 32 ASP QB 1 33 LEU H . . 3.540 2.553 2.532 2.621 . 0 0 "[ . 1]" 1
861 1 32 ASP QB 1 34 GLY H . . 4.780 4.333 4.322 4.368 . 0 0 "[ . 1]" 1
862 1 33 LEU H 1 33 LEU QB . . 3.460 2.463 2.461 2.469 . 0 0 "[ . 1]" 1
863 1 33 LEU H 1 34 GLY QA . . 4.410 4.090 4.082 4.099 . 0 0 "[ . 1]" 1
864 1 33 LEU QB 1 34 GLY H . . 4.000 3.062 2.976 3.079 . 0 0 "[ . 1]" 1
865 1 33 LEU QB 1 35 ALA H . . 3.760 2.986 2.741 3.060 . 0 0 "[ . 1]" 1
866 1 33 LEU QB 1 35 ALA HA . . 5.340 4.690 4.627 4.713 . 0 0 "[ . 1]" 1
867 1 33 LEU QB 1 35 ALA MB . . 4.390 2.704 2.668 2.738 . 0 0 "[ . 1]" 1
868 1 35 ALA H 1 39 ASP QB . . 5.340 5.013 4.871 5.102 . 0 0 "[ . 1]" 1
869 1 35 ALA HA 1 39 ASP QB . . 4.290 4.011 3.781 4.198 . 0 0 "[ . 1]" 1
870 1 35 ALA MB 1 39 ASP QB . . 3.520 2.061 1.946 2.182 . 0 0 "[ . 1]" 1
871 1 35 ALA MB 1 43 LEU QD . . 5.440 4.519 3.852 5.207 . 0 0 "[ . 1]" 1
872 1 36 ASP H 1 39 ASP QB . . 3.410 2.853 2.491 3.177 . 0 0 "[ . 1]" 1
873 1 36 ASP QB 1 37 SER H . . 3.160 2.185 1.996 2.726 . 0 0 "[ . 1]" 1
874 1 36 ASP QB 1 38 LEU H . . 4.500 2.593 2.440 2.862 . 0 0 "[ . 1]" 1
875 1 37 SER H 1 37 SER QB . . 3.330 2.337 2.149 2.698 . 0 0 "[ . 1]" 1
876 1 38 LEU H 1 38 LEU QB . . 3.130 2.329 2.118 2.600 . 0 0 "[ . 1]" 1
877 1 38 LEU H 1 38 LEU QD . . 4.100 2.920 1.969 3.679 . 0 0 "[ . 1]" 1
878 1 38 LEU QB 1 39 ASP H . . 3.630 2.316 2.188 2.458 . 0 0 "[ . 1]" 1
879 1 39 ASP HA 1 42 GLU QB . . 3.780 2.641 2.207 3.009 . 0 0 "[ . 1]" 1
880 1 39 ASP HA 1 42 GLU QG . . 3.440 3.317 3.007 3.466 0.026 9 0 "[ . 1]" 1
881 1 39 ASP QB 1 40 THR H . . 3.600 2.525 2.421 2.721 . 0 0 "[ . 1]" 1
882 1 40 THR H 1 42 GLU QB . . 5.340 4.907 4.463 5.232 . 0 0 "[ . 1]" 1
883 1 40 THR H 1 43 LEU QD . . 5.440 4.612 3.712 5.445 0.005 9 0 "[ . 1]" 1
884 1 40 THR HA 1 43 LEU QB . . 3.950 2.945 2.649 3.362 . 0 0 "[ . 1]" 1
885 1 40 THR HA 1 43 LEU QD . . 4.770 3.193 2.189 4.075 . 0 0 "[ . 1]" 1
886 1 42 GLU H 1 42 GLU QB . . 3.460 2.351 2.212 2.482 . 0 0 "[ . 1]" 1
887 1 42 GLU H 1 42 GLU QG . . 3.880 2.777 2.114 3.947 0.067 10 0 "[ . 1]" 1
888 1 42 GLU HA 1 42 GLU QG . . 3.680 2.696 2.188 3.112 . 0 0 "[ . 1]" 1
889 1 42 GLU HA 1 45 MET QB . . 3.580 2.832 2.747 2.979 . 0 0 "[ . 1]" 1
890 1 42 GLU QB 1 43 LEU H . . 3.780 2.375 2.318 2.488 . 0 0 "[ . 1]" 1
891 1 42 GLU QG 1 43 LEU H . . 5.200 3.736 2.959 4.158 . 0 0 "[ . 1]" 1
892 1 43 LEU H 1 43 LEU QB . . 3.380 2.194 2.049 2.578 . 0 0 "[ . 1]" 1
893 1 43 LEU H 1 43 LEU QD . . 4.040 3.071 2.199 3.523 . 0 0 "[ . 1]" 1
894 1 43 LEU HA 1 43 LEU QD . . 4.050 2.188 1.908 2.506 . 0 0 "[ . 1]" 1
895 1 43 LEU QB 1 44 VAL H . . 3.550 2.454 2.244 2.567 . 0 0 "[ . 1]" 1
896 1 43 LEU QD 1 44 VAL H . . 4.580 3.938 3.789 4.106 . 0 0 "[ . 1]" 1
897 1 43 LEU QD 1 46 ALA H . . 5.190 4.916 4.416 5.163 . 0 0 "[ . 1]" 1
898 1 43 LEU QD 1 46 ALA MB . . 4.810 3.469 3.062 3.790 . 0 0 "[ . 1]" 1
899 1 43 LEU QD 1 47 PHE H . . 5.440 4.675 4.241 5.261 . 0 0 "[ . 1]" 1
900 1 44 VAL H 1 45 MET QG . . 5.340 4.887 4.567 5.129 . 0 0 "[ . 1]" 1
901 1 45 MET H 1 45 MET QB . . 3.250 2.288 2.163 2.426 . 0 0 "[ . 1]" 1
902 1 45 MET H 1 45 MET QG . . 3.320 2.538 2.228 2.813 . 0 0 "[ . 1]" 1
903 1 45 MET QB 1 46 ALA H . . 3.390 2.525 2.372 2.646 . 0 0 "[ . 1]" 1
904 1 45 MET QG 1 46 ALA H . . 5.030 4.199 4.001 4.305 . 0 0 "[ . 1]" 1
905 1 48 GLU H 1 48 GLU QG . . 3.700 3.345 2.326 3.701 0.001 6 0 "[ . 1]" 1
906 1 48 GLU HA 1 48 GLU QG . . 3.690 2.430 2.214 2.601 . 0 0 "[ . 1]" 1
907 1 48 GLU QG 1 49 GLU H . . 5.270 4.364 4.119 4.597 . 0 0 "[ . 1]" 1
908 1 48 GLU QG 1 53 VAL MG2 . . 4.450 2.008 1.776 3.190 . 0 0 "[ . 1]" 1
909 1 49 GLU H 1 50 GLU QB . . 5.340 4.265 4.166 4.481 . 0 0 "[ . 1]" 1
910 1 49 GLU HA 1 49 GLU QG . . 3.350 2.466 2.075 2.794 . 0 0 "[ . 1]" 1
911 1 49 GLU QG 1 50 GLU H . . 4.390 4.099 3.752 4.307 . 0 0 "[ . 1]" 1
912 1 50 GLU H 1 50 GLU QB . . 3.060 2.233 2.135 2.324 . 0 0 "[ . 1]" 1
913 1 50 GLU HA 1 50 GLU QG . . 3.700 2.541 2.211 2.899 . 0 0 "[ . 1]" 1
914 1 50 GLU QB 1 51 PHE H . . 3.210 2.453 2.215 2.677 . 0 0 "[ . 1]" 1
915 1 50 GLU QB 1 52 GLY H . . 4.540 4.350 4.228 4.525 . 0 0 "[ . 1]" 1
916 1 50 GLU QG 1 51 PHE H . . 4.340 4.102 3.636 4.341 0.001 5 0 "[ . 1]" 1
917 1 52 GLY H 1 52 GLY QA . . 2.540 2.235 2.217 2.263 . 0 0 "[ . 1]" 1
918 1 53 VAL HA 1 54 GLU QB . . 4.720 4.343 4.262 4.448 . 0 0 "[ . 1]" 1
919 1 54 GLU H 1 54 GLU QB . . 3.040 2.757 2.463 3.040 . 6 0 "[ . 1]" 1
920 1 54 GLU H 1 54 GLU QG . . 3.220 2.593 1.932 3.162 . 0 0 "[ . 1]" 1
921 1 55 ILE HA 1 56 PRO QG . . 4.850 4.012 3.993 4.021 . 0 0 "[ . 1]" 1
922 1 56 PRO HB2 1 57 ASP QB . . 4.640 4.365 4.121 4.640 . 0 0 "[ . 1]" 1
923 1 56 PRO QG 1 58 ASP QB . . 4.540 3.513 3.038 4.264 . 0 0 "[ . 1]" 1
924 1 56 PRO QG 1 59 ALA H . . 3.480 2.525 2.220 2.801 . 0 0 "[ . 1]" 1
925 1 56 PRO QG 1 59 ALA MB . . 3.890 2.219 1.876 2.817 . 0 0 "[ . 1]" 1
926 1 56 PRO QG 1 60 ALA H . . 5.350 4.830 4.090 5.346 . 0 0 "[ . 1]" 1
927 1 57 ASP H 1 57 ASP QB . . 3.390 2.320 2.211 2.574 . 0 0 "[ . 1]" 1
928 1 57 ASP QB 1 60 ALA H . . 5.330 5.031 4.811 5.317 . 0 0 "[ . 1]" 1
929 1 58 ASP H 1 58 ASP QB . . 2.820 2.321 2.170 2.586 . 0 0 "[ . 1]" 1
930 1 58 ASP HA 1 61 GLU QG . . 3.980 2.929 2.109 3.803 . 0 0 "[ . 1]" 1
931 1 58 ASP QB 1 59 ALA H . . 3.750 2.865 2.371 3.567 . 0 0 "[ . 1]" 1
932 1 58 ASP QB 1 61 GLU H . . 5.340 4.549 4.327 4.886 . 0 0 "[ . 1]" 1
933 1 60 ALA H 1 61 GLU QG . . 5.340 4.302 3.903 5.333 . 0 0 "[ . 1]" 1
934 1 60 ALA HA 1 63 ILE QG . . 4.690 3.333 1.947 3.883 . 0 0 "[ . 1]" 1
935 1 61 GLU H 1 61 GLU QG . . 3.540 2.492 2.239 3.308 . 0 0 "[ . 1]" 1
936 1 61 GLU HA 1 61 GLU QG . . 3.640 2.673 2.291 2.953 . 0 0 "[ . 1]" 1
937 1 61 GLU QG 1 62 THR H . . 4.600 4.222 3.939 4.579 . 0 0 "[ . 1]" 1
938 1 61 GLU QG 1 62 THR MG . . 4.820 4.623 4.403 4.823 0.003 9 0 "[ . 1]" 1
939 1 62 THR H 1 63 ILE QG . . 4.670 3.707 3.490 3.831 . 0 0 "[ . 1]" 1
940 1 62 THR H 1 64 LEU QD . . 5.440 4.888 4.554 5.352 . 0 0 "[ . 1]" 1
941 1 62 THR HA 1 64 LEU QD . . 3.820 3.455 2.804 3.810 . 0 0 "[ . 1]" 1
942 1 62 THR MG 1 63 ILE QG . . 4.720 4.416 4.313 4.579 . 0 0 "[ . 1]" 1
943 1 63 ILE H 1 63 ILE QG . . 3.680 2.310 1.940 2.423 . 0 0 "[ . 1]" 1
944 1 63 ILE H 1 68 ASP QB . . 5.340 4.487 4.277 4.877 . 0 0 "[ . 1]" 1
945 1 63 ILE HA 1 68 ASP QB . . 3.930 2.007 1.899 2.331 . 0 0 "[ . 1]" 1
946 1 63 ILE MG 1 68 ASP QB . . 4.470 2.354 2.054 3.158 . 0 0 "[ . 1]" 1
947 1 63 ILE QG 1 69 ALA HA . . 4.560 2.812 2.402 4.015 . 0 0 "[ . 1]" 1
948 1 64 LEU H 1 64 LEU QB . . 3.240 2.626 2.487 2.725 . 0 0 "[ . 1]" 1
949 1 64 LEU HA 1 64 LEU QD . . 3.750 2.454 2.040 3.187 . 0 0 "[ . 1]" 1
950 1 64 LEU QB 1 65 THR H . . 3.680 2.241 2.123 2.534 . 0 0 "[ . 1]" 1
951 1 65 THR H 1 68 ASP QB . . 3.490 2.722 2.480 2.991 . 0 0 "[ . 1]" 1
952 1 68 ASP H 1 68 ASP QB . . 3.100 2.322 2.121 2.481 . 0 0 "[ . 1]" 1
953 1 68 ASP H 1 71 LYS QD . . 4.940 4.540 4.296 4.887 . 0 0 "[ . 1]" 1
954 1 68 ASP HA 1 71 LYS QB . . 3.540 2.780 2.668 2.926 . 0 0 "[ . 1]" 1
955 1 68 ASP QB 1 69 ALA H . . 3.660 2.291 2.228 2.406 . 0 0 "[ . 1]" 1
956 1 70 VAL H 1 71 LYS QB . . 5.260 4.585 4.405 4.678 . 0 0 "[ . 1]" 1
957 1 71 LYS H 1 71 LYS QB . . 3.040 2.278 2.056 2.345 . 0 0 "[ . 1]" 1
958 1 71 LYS H 1 71 LYS QG . . 4.310 2.577 2.370 3.511 . 0 0 "[ . 1]" 1
959 1 71 LYS H 1 71 LYS QD . . 3.790 3.647 3.163 3.783 . 0 0 "[ . 1]" 1
960 1 71 LYS HA 1 71 LYS QG . . 3.570 2.317 2.009 2.369 . 0 0 "[ . 1]" 1
961 1 71 LYS HA 1 71 LYS QD . . 4.400 3.992 3.516 4.141 . 0 0 "[ . 1]" 1
962 1 71 LYS QB 1 71 LYS QD . . 3.250 2.148 2.091 2.267 . 0 0 "[ . 1]" 1
963 1 71 LYS QB 1 72 PHE H . . 3.380 2.774 2.699 2.842 . 0 0 "[ . 1]" 1
964 1 71 LYS QB 1 73 ILE H . . 5.340 5.075 5.004 5.125 . 0 0 "[ . 1]" 1
965 1 71 LYS QD 1 72 PHE H . . 5.050 4.900 4.771 4.998 . 0 0 "[ . 1]" 1
966 1 72 PHE HA 1 75 LYS QB . . 4.010 2.697 2.540 3.071 . 0 0 "[ . 1]" 1
967 1 73 ILE H 1 74 ASP QB . . 5.140 4.516 4.474 4.555 . 0 0 "[ . 1]" 1
968 1 74 ASP H 1 74 ASP QB . . 2.810 2.252 2.221 2.281 . 0 0 "[ . 1]" 1
969 1 74 ASP H 1 75 LYS QB . . 4.610 4.335 4.206 4.414 . 0 0 "[ . 1]" 1
970 1 74 ASP QB 1 75 LYS H . . 3.840 2.504 2.135 2.693 . 0 0 "[ . 1]" 1
971 1 74 ASP QB 1 76 ALA H . . 5.100 4.663 4.314 4.918 . 0 0 "[ . 1]" 1
972 1 74 ASP QB 1 77 SER H . . 5.340 4.814 4.739 4.890 . 0 0 "[ . 1]" 1
973 1 75 LYS H 1 75 LYS QB . . 3.190 2.203 2.157 2.248 . 0 0 "[ . 1]" 1
974 1 75 LYS H 1 75 LYS QG . . 4.440 3.400 2.691 4.049 . 0 0 "[ . 1]" 1
975 1 75 LYS HA 1 75 LYS QG . . 3.640 2.395 2.213 2.600 . 0 0 "[ . 1]" 1
976 1 75 LYS HA 1 75 LYS QD . . 4.930 3.473 2.057 4.107 . 0 0 "[ . 1]" 1
977 1 75 LYS QB 1 76 ALA H . . 3.040 2.684 2.409 2.943 . 0 0 "[ . 1]" 1
978 1 75 LYS QB 1 77 SER H . . 5.030 4.535 4.325 4.711 . 0 0 "[ . 1]" 1
979 1 77 SER H 1 77 SER QB . . 3.120 2.228 2.156 2.376 . 0 0 "[ . 1]" 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 52
_Distance_constraint_stats_list.Viol_count 517
_Distance_constraint_stats_list.Viol_total 941.696
_Distance_constraint_stats_list.Viol_max 0.288
_Distance_constraint_stats_list.Viol_rms 0.0671
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1811
_Distance_constraint_stats_list.Viol_average_violations_only 0.1821
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 THR 4.005 0.275 8 0 "[ . 1]"
1 5 ALA 3.055 0.260 7 0 "[ . 1]"
1 6 GLU 3.293 0.259 8 0 "[ . 1]"
1 7 ARG 4.566 0.278 2 0 "[ . 1]"
1 8 VAL 7.892 0.275 8 0 "[ . 1]"
1 9 LYS 6.205 0.260 7 0 "[ . 1]"
1 10 LYS 7.147 0.259 8 0 "[ . 1]"
1 11 ILE 4.566 0.278 2 0 "[ . 1]"
1 12 VAL 5.305 0.219 2 0 "[ . 1]"
1 13 VAL 3.150 0.236 4 0 "[ . 1]"
1 14 GLU 3.855 0.232 8 0 "[ . 1]"
1 16 LEU 1.418 0.204 6 0 "[ . 1]"
1 37 SER 4.013 0.270 5 0 "[ . 1]"
1 38 LEU 4.381 0.282 4 0 "[ . 1]"
1 39 ASP 3.550 0.282 8 0 "[ . 1]"
1 40 THR 4.246 0.288 9 0 "[ . 1]"
1 41 VAL 8.570 0.276 2 0 "[ . 1]"
1 42 GLU 8.973 0.284 8 0 "[ . 1]"
1 43 LEU 8.293 0.283 9 0 "[ . 1]"
1 44 VAL 8.455 0.288 9 0 "[ . 1]"
1 45 MET 8.665 0.276 2 0 "[ . 1]"
1 46 ALA 7.607 0.284 8 0 "[ . 1]"
1 47 PHE 6.306 0.283 9 0 "[ . 1]"
1 48 GLU 4.209 0.268 10 0 "[ . 1]"
1 49 GLU 4.108 0.259 4 0 "[ . 1]"
1 50 GLU 3.015 0.203 8 0 "[ . 1]"
1 51 PHE 1.564 0.239 4 0 "[ . 1]"
1 66 VAL 2.259 0.190 4 0 "[ . 1]"
1 67 GLY 3.328 0.251 9 0 "[ . 1]"
1 68 ASP 3.360 0.205 5 0 "[ . 1]"
1 69 ALA 4.781 0.280 10 0 "[ . 1]"
1 70 VAL 6.298 0.251 4 0 "[ . 1]"
1 71 LYS 6.908 0.251 9 0 "[ . 1]"
1 72 PHE 5.976 0.259 10 0 "[ . 1]"
1 73 ILE 4.781 0.280 10 0 "[ . 1]"
1 74 ASP 4.040 0.251 4 0 "[ . 1]"
1 75 LYS 3.579 0.234 6 0 "[ . 1]"
1 76 ALA 2.617 0.259 10 0 "[ . 1]"
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 4 THR O 1 8 VAL H . . 1.800 1.968 1.832 2.004 0.204 5 0 "[ . 1]" 2
2 1 4 THR O 1 8 VAL N . . 2.700 2.932 2.802 2.975 0.275 8 0 "[ . 1]" 2
3 1 5 ALA O 1 9 LYS H . . 1.800 1.926 1.811 2.000 0.200 9 0 "[ . 1]" 2
4 1 5 ALA O 1 9 LYS N . . 2.700 2.880 2.750 2.960 0.260 7 0 "[ . 1]" 2
5 1 6 GLU O 1 10 LYS H . . 1.800 1.978 1.906 2.001 0.201 5 0 "[ . 1]" 2
6 1 6 GLU O 1 10 LYS N . . 2.700 2.851 2.749 2.959 0.259 8 0 "[ . 1]" 2
7 1 7 ARG O 1 11 ILE H . . 1.800 1.992 1.936 2.006 0.206 9 0 "[ . 1]" 2
8 1 7 ARG O 1 11 ILE N . . 2.700 2.965 2.913 2.978 0.278 2 0 "[ . 1]" 2
9 1 8 VAL O 1 12 VAL H . . 1.800 1.995 1.960 2.005 0.205 5 0 "[ . 1]" 2
10 1 8 VAL O 1 12 VAL N . . 2.700 2.894 2.862 2.919 0.219 2 0 "[ . 1]" 2
11 1 9 LYS O 1 13 VAL H . . 1.800 1.959 1.869 2.002 0.202 2 0 "[ . 1]" 2
12 1 9 LYS O 1 13 VAL N . . 2.700 2.856 2.759 2.936 0.236 4 0 "[ . 1]" 2
13 1 10 LYS O 1 14 GLU H . . 1.800 1.997 1.982 2.002 0.202 2 0 "[ . 1]" 2
14 1 10 LYS O 1 14 GLU N . . 2.700 2.888 2.864 2.932 0.232 8 0 "[ . 1]" 2
15 1 12 VAL O 1 16 LEU H . . 1.800 1.865 1.814 2.004 0.204 6 0 "[ . 1]" 2
16 1 12 VAL O 1 16 LEU N . . 2.700 2.777 2.747 2.892 0.192 9 0 "[ . 1]" 2
17 1 37 SER O 1 41 VAL H . . 1.800 1.967 1.885 2.002 0.202 10 0 "[ . 1]" 2
18 1 37 SER O 1 41 VAL N . . 2.700 2.935 2.855 2.970 0.270 5 0 "[ . 1]" 2
19 1 38 LEU O 1 42 GLU H . . 1.800 1.998 1.963 2.003 0.203 8 0 "[ . 1]" 2
20 1 38 LEU O 1 42 GLU N . . 2.700 2.940 2.842 2.982 0.282 4 0 "[ . 1]" 2
21 1 39 ASP O 1 43 LEU H . . 1.800 1.942 1.798 2.006 0.206 8 0 "[ . 1]" 2
22 1 39 ASP O 1 43 LEU N . . 2.700 2.913 2.743 2.982 0.282 8 0 "[ . 1]" 2
23 1 40 THR O 1 44 VAL H . . 1.800 1.977 1.907 2.022 0.222 9 0 "[ . 1]" 2
24 1 40 THR O 1 44 VAL N . . 2.700 2.947 2.880 2.988 0.288 9 0 "[ . 1]" 2
25 1 41 VAL O 1 45 MET H . . 1.800 2.001 1.992 2.004 0.204 10 0 "[ . 1]" 2
26 1 41 VAL O 1 45 MET N . . 2.700 2.955 2.918 2.976 0.276 2 0 "[ . 1]" 2
27 1 42 GLU O 1 46 ALA H . . 1.800 2.004 2.000 2.013 0.213 9 0 "[ . 1]" 2
28 1 42 GLU O 1 46 ALA N . . 2.700 2.955 2.901 2.984 0.284 8 0 "[ . 1]" 2
29 1 43 LEU O 1 47 PHE H . . 1.800 2.002 1.991 2.008 0.208 10 0 "[ . 1]" 2
30 1 43 LEU O 1 47 PHE N . . 2.700 2.972 2.948 2.983 0.283 9 0 "[ . 1]" 2
31 1 44 VAL O 1 48 GLU H . . 1.800 1.997 1.967 2.007 0.207 9 0 "[ . 1]" 2
32 1 44 VAL O 1 48 GLU N . . 2.700 2.924 2.860 2.968 0.268 10 0 "[ . 1]" 2
33 1 45 MET O 1 49 GLU H . . 1.800 2.002 1.999 2.007 0.207 9 0 "[ . 1]" 2
34 1 45 MET O 1 49 GLU N . . 2.700 2.908 2.853 2.959 0.259 4 0 "[ . 1]" 2
35 1 46 ALA O 1 50 GLU H . . 1.800 1.995 1.946 2.003 0.203 8 0 "[ . 1]" 2
36 1 46 ALA O 1 50 GLU N . . 2.700 2.807 2.749 2.834 0.134 3 0 "[ . 1]" 2
37 1 47 PHE O 1 51 PHE H . . 1.800 1.850 1.798 1.977 0.177 4 0 "[ . 1]" 2
38 1 47 PHE O 1 51 PHE N . . 2.700 2.806 2.750 2.939 0.239 4 0 "[ . 1]" 2
39 1 66 VAL O 1 70 VAL H . . 1.800 1.878 1.845 1.924 0.124 9 0 "[ . 1]" 2
40 1 66 VAL O 1 70 VAL N . . 2.700 2.848 2.815 2.890 0.190 4 0 "[ . 1]" 2
41 1 67 GLY O 1 71 LYS H . . 1.800 1.953 1.805 2.003 0.203 9 0 "[ . 1]" 2
42 1 67 GLY O 1 71 LYS N . . 2.700 2.880 2.774 2.951 0.251 9 0 "[ . 1]" 2
43 1 68 ASP O 1 72 PHE H . . 1.800 1.992 1.916 2.005 0.205 5 0 "[ . 1]" 2
44 1 68 ASP O 1 72 PHE N . . 2.700 2.844 2.792 2.891 0.191 1 0 "[ . 1]" 2
45 1 69 ALA O 1 73 ILE H . . 1.800 2.002 1.999 2.005 0.205 8 0 "[ . 1]" 2
46 1 69 ALA O 1 73 ILE N . . 2.700 2.976 2.968 2.980 0.280 10 0 "[ . 1]" 2
47 1 70 VAL O 1 74 ASP H . . 1.800 1.988 1.937 2.001 0.201 5 0 "[ . 1]" 2
48 1 70 VAL O 1 74 ASP N . . 2.700 2.916 2.794 2.951 0.251 4 0 "[ . 1]" 2
49 1 71 LYS O 1 75 LYS H . . 1.800 1.986 1.916 2.002 0.202 5 0 "[ . 1]" 2
50 1 71 LYS O 1 75 LYS N . . 2.700 2.872 2.805 2.934 0.234 6 0 "[ . 1]" 2
51 1 72 PHE O 1 76 ALA H . . 1.800 1.925 1.860 1.996 0.196 10 0 "[ . 1]" 2
52 1 72 PHE O 1 76 ALA N . . 2.700 2.837 2.750 2.959 0.259 10 0 "[ . 1]" 2
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