NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572937 |
2m5y   |
19087 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m5y
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 512
_Distance_constraint_stats_list.Viol_count 317
_Distance_constraint_stats_list.Viol_total 592.665
_Distance_constraint_stats_list.Viol_max 1.806
_Distance_constraint_stats_list.Viol_rms 0.0262
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0935
_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 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.071 0.071 1 0 "[ . 1 . 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 7.676 1.806 5 1 "[ + 1 . 2]"
1 38 ARG 2.529 0.261 13 0 "[ . 1 . 2]"
1 39 VAL 0.348 0.150 3 0 "[ . 1 . 2]"
1 40 TYR 0.605 0.134 18 0 "[ . 1 . 2]"
1 41 ASN 0.084 0.051 14 0 "[ . 1 . 2]"
1 42 ILE 1.697 0.182 18 0 "[ . 1 . 2]"
1 43 SER 0.130 0.074 14 0 "[ . 1 . 2]"
1 45 THR 0.161 0.074 14 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 1.853 0.217 7 0 "[ . 1 . 2]"
1 50 ALA 0.383 0.090 3 0 "[ . 1 . 2]"
1 51 ARG 0.422 0.099 12 0 "[ . 1 . 2]"
1 52 THR 1.602 0.217 7 0 "[ . 1 . 2]"
1 53 ALA 1.027 0.102 19 0 "[ . 1 . 2]"
1 54 ASP 1.762 0.394 11 0 "[ . 1 . 2]"
1 55 ARG 0.210 0.083 5 0 "[ . 1 . 2]"
1 56 LEU 1.635 0.394 11 0 "[ . 1 . 2]"
1 57 LYS 0.201 0.102 19 0 "[ . 1 . 2]"
1 58 ALA 0.210 0.083 5 0 "[ . 1 . 2]"
1 59 ALA 0.038 0.038 15 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.470 0.161 5 0 "[ . 1 . 2]"
1 62 THR 4.740 1.806 5 1 "[ + 1 . 2]"
1 63 VAL 0.814 0.204 14 0 "[ . 1 . 2]"
1 64 THR 2.886 0.181 3 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.029 0.029 4 0 "[ . 1 . 2]"
1 67 GLY 0.129 0.106 18 0 "[ . 1 . 2]"
1 68 ASN 0.051 0.051 14 0 "[ . 1 . 2]"
1 69 LEU 0.625 0.125 20 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.237 0.170 10 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 1.787 0.260 5 0 "[ . 1 . 2]"
1 74 VAL 0.807 0.182 18 0 "[ . 1 . 2]"
1 75 ALA 1.290 0.222 17 0 "[ . 1 . 2]"
1 76 ALA 0.158 0.074 8 0 "[ . 1 . 2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 THR 1.445 0.193 9 0 "[ . 1 . 2]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 1.510 0.246 16 0 "[ . 1 . 2]"
1 81 TYR 0.170 0.120 6 0 "[ . 1 . 2]"
1 82 THR 0.226 0.113 8 0 "[ . 1 . 2]"
1 83 GLU 2.105 0.299 18 0 "[ . 1 . 2]"
1 84 VAL 0.045 0.040 5 0 "[ . 1 . 2]"
1 85 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.191 0.191 19 0 "[ . 1 . 2]"
1 87 GLU 2.082 0.299 18 0 "[ . 1 . 2]"
1 88 ARG 0.567 0.237 13 0 "[ . 1 . 2]"
1 89 ALA 0.191 0.191 19 0 "[ . 1 . 2]"
1 90 THR 0.562 0.237 13 0 "[ . 1 . 2]"
1 91 ALA 1.281 0.261 13 0 "[ . 1 . 2]"
1 92 ASP 0.225 0.095 16 0 "[ . 1 . 2]"
1 93 ALA 0.036 0.021 20 0 "[ . 1 . 2]"
1 94 VAL 0.185 0.050 19 0 "[ . 1 . 2]"
1 95 GLY 0.279 0.095 16 0 "[ . 1 . 2]"
1 96 ARG 0.062 0.062 1 0 "[ . 1 . 2]"
1 97 THR 0.146 0.050 19 0 "[ . 1 . 2]"
1 98 LEU 0.034 0.034 18 0 "[ . 1 . 2]"
1 99 GLY 0.047 0.047 16 0 "[ . 1 . 2]"
1 100 ALA 0.065 0.060 3 0 "[ . 1 . 2]"
1 101 ALA 0.224 0.118 15 0 "[ . 1 . 2]"
1 102 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLU 0.079 0.065 13 0 "[ . 1 . 2]"
1 104 LEU 0.149 0.120 1 0 "[ . 1 . 2]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.136 0.120 1 0 "[ . 1 . 2]"
1 107 PRO 0.407 0.141 20 0 "[ . 1 . 2]"
1 108 GLU 0.096 0.090 14 0 "[ . 1 . 2]"
1 109 LEU 0.429 0.260 5 0 "[ . 1 . 2]"
1 110 SER 0.470 0.141 20 0 "[ . 1 . 2]"
1 111 ASP 0.145 0.090 14 0 "[ . 1 . 2]"
1 112 GLN 2.404 0.265 8 0 "[ . 1 . 2]"
1 113 PRO 1.451 0.265 8 0 "[ . 1 . 2]"
1 114 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLY 0.712 0.249 11 0 "[ . 1 . 2]"
1 116 VAL 0.046 0.046 17 0 "[ . 1 . 2]"
1 117 ILE 0.280 0.134 18 0 "[ . 1 . 2]"
1 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 VAL 1.510 0.246 16 0 "[ . 1 . 2]"
1 120 VAL 0.690 0.209 20 0 "[ . 1 . 2]"
1 121 THR 1.031 0.193 9 0 "[ . 1 . 2]"
1 122 GLY 0.852 0.209 20 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 34 ARG QG 1 35 ALA H 5.500 . 6.330 3.867 2.788 4.679 . 0 0 "[ . 1 . 2]" 1
2 1 38 ARG H 1 38 ARG QH1 5.500 . 6.330 5.359 3.473 6.365 0.035 1 0 "[ . 1 . 2]" 1
3 1 48 ALA H 1 48 ALA HA 2.800 . 3.220 2.799 2.705 2.842 . 0 0 "[ . 1 . 2]" 1
4 1 50 ALA H 1 50 ALA HA 2.800 . 3.220 2.856 2.808 2.904 . 0 0 "[ . 1 . 2]" 1
5 1 51 ARG H 1 51 ARG QD 5.500 . 6.330 4.259 2.174 4.867 . 0 0 "[ . 1 . 2]" 1
6 1 51 ARG H 1 51 ARG HA 2.800 . 3.220 2.836 2.783 2.872 . 0 0 "[ . 1 . 2]" 1
7 1 52 THR H 1 52 THR HA 2.800 . 3.220 2.848 2.814 2.898 . 0 0 "[ . 1 . 2]" 1
8 1 53 ALA H 1 53 ALA HA 2.800 . 3.220 2.868 2.831 2.907 . 0 0 "[ . 1 . 2]" 1
9 1 54 ASP H 1 54 ASP HA 2.800 . 3.220 2.819 2.747 2.905 . 0 0 "[ . 1 . 2]" 1
10 1 55 ARG H 1 55 ARG HA 2.800 . 3.220 2.857 2.789 2.923 . 0 0 "[ . 1 . 2]" 1
11 1 56 LEU H 1 56 LEU HA 2.800 . 3.220 2.842 2.783 2.889 . 0 0 "[ . 1 . 2]" 1
12 1 56 LEU H 1 56 LEU HG 5.500 . 6.330 4.165 3.672 4.561 . 0 0 "[ . 1 . 2]" 1
13 1 69 LEU H 1 69 LEU HG 5.500 . 6.330 4.435 2.709 5.252 . 0 0 "[ . 1 . 2]" 1
14 1 71 LEU H 1 71 LEU HG 5.500 . 6.330 3.487 2.371 4.598 . 0 0 "[ . 1 . 2]" 1
15 1 87 GLU H 1 87 GLU HA 2.800 . 3.220 2.841 2.757 2.925 . 0 0 "[ . 1 . 2]" 1
16 1 88 ARG H 1 88 ARG HA 2.800 . 3.220 2.814 2.742 2.875 . 0 0 "[ . 1 . 2]" 1
17 1 89 ALA H 1 89 ALA HA 2.800 . 3.220 2.850 2.786 2.900 . 0 0 "[ . 1 . 2]" 1
18 1 90 THR H 1 90 THR HA 2.800 . 3.220 2.884 2.846 2.925 . 0 0 "[ . 1 . 2]" 1
19 1 91 ALA H 1 91 ALA HA 2.800 . 3.220 2.848 2.795 2.900 . 0 0 "[ . 1 . 2]" 1
20 1 92 ASP H 1 92 ASP HA 2.800 . 3.220 2.811 2.751 2.867 . 0 0 "[ . 1 . 2]" 1
21 1 93 ALA H 1 93 ALA HA 2.800 . 3.220 2.814 2.771 2.897 . 0 0 "[ . 1 . 2]" 1
22 1 94 VAL H 1 94 VAL HA 2.800 . 3.220 2.856 2.804 2.922 . 0 0 "[ . 1 . 2]" 1
23 1 96 ARG H 1 96 ARG HA 2.800 . 3.220 2.889 2.850 2.939 . 0 0 "[ . 1 . 2]" 1
24 1 96 ARG H 1 96 ARG QD 5.500 . 6.330 4.376 3.647 4.857 . 0 0 "[ . 1 . 2]" 1
25 1 97 THR H 1 97 THR HA 2.800 . 3.220 2.864 2.809 2.914 . 0 0 "[ . 1 . 2]" 1
26 1 98 LEU H 1 98 LEU HA 2.800 . 3.220 2.907 2.836 2.954 . 0 0 "[ . 1 . 2]" 1
27 1 98 LEU H 1 98 LEU HG 5.500 . 6.330 4.255 1.989 4.669 . 0 0 "[ . 1 . 2]" 1
28 1 104 LEU H 1 106 LEU HG 5.500 . 6.330 4.714 3.019 6.450 0.120 1 0 "[ . 1 . 2]" 1
29 1 104 LEU H 1 104 LEU HG 5.500 . 6.330 3.794 2.171 4.574 . 0 0 "[ . 1 . 2]" 1
30 1 108 GLU H 1 108 GLU HA 2.800 . 3.220 2.834 2.776 2.918 . 0 0 "[ . 1 . 2]" 1
31 1 109 LEU H 1 109 LEU HG 5.500 . 6.330 4.044 2.194 4.633 . 0 0 "[ . 1 . 2]" 1
32 1 109 LEU H 1 109 LEU HA 2.800 . 3.220 2.850 2.806 2.919 . 0 0 "[ . 1 . 2]" 1
33 1 110 SER H 1 110 SER HA 2.800 . 3.220 2.835 2.755 2.919 . 0 0 "[ . 1 . 2]" 1
34 1 112 GLN H 1 112 GLN QE 5.500 . 6.330 4.508 3.374 5.960 . 0 0 "[ . 1 . 2]" 1
35 1 37 VAL H 1 38 ARG HA 5.500 . 6.330 5.165 4.726 5.405 . 0 0 "[ . 1 . 2]" 1
36 1 38 ARG H 1 39 VAL QG 5.500 . 6.330 4.123 3.720 4.747 . 0 0 "[ . 1 . 2]" 1
37 1 39 VAL H 1 40 TYR H 4.200 . 4.830 4.373 4.185 4.513 . 0 0 "[ . 1 . 2]" 1
38 1 39 VAL QG 1 40 TYR H 5.500 . 6.330 2.874 2.570 3.147 . 0 0 "[ . 1 . 2]" 1
39 1 39 VAL MG1 1 41 ASN H 5.500 . 6.330 3.911 2.943 4.804 . 0 0 "[ . 1 . 2]" 1
40 1 40 TYR QD 1 41 ASN H 5.500 . 6.330 3.974 3.402 4.407 . 0 0 "[ . 1 . 2]" 1
41 1 41 ASN H 1 42 ILE H 5.000 . 5.750 4.458 4.301 4.602 . 0 0 "[ . 1 . 2]" 1
42 1 41 ASN HA 1 42 ILE H 2.200 . 2.530 2.215 2.127 2.294 . 0 0 "[ . 1 . 2]" 1
43 1 41 ASN HB2 1 42 ILE H 5.500 . 6.330 4.339 4.068 4.568 . 0 0 "[ . 1 . 2]" 1
44 1 41 ASN HB3 1 42 ILE H 5.500 . 6.330 3.759 2.996 4.384 . 0 0 "[ . 1 . 2]" 1
45 1 41 ASN HA 1 43 SER H 5.500 . 6.330 3.891 3.429 4.313 . 0 0 "[ . 1 . 2]" 1
46 1 41 ASN QB 1 43 SER H 5.500 . 6.330 3.681 2.501 5.061 . 0 0 "[ . 1 . 2]" 1
47 1 41 ASN HD21 1 45 THR H 5.500 . 6.330 4.519 2.387 6.072 . 0 0 "[ . 1 . 2]" 1
48 1 41 ASN HD22 1 45 THR H 5.500 . 6.330 4.467 2.206 6.362 0.032 15 0 "[ . 1 . 2]" 1
49 1 42 ILE HB 1 43 SER H 5.500 . 6.330 4.072 3.915 4.252 . 0 0 "[ . 1 . 2]" 1
50 1 42 ILE H 1 43 SER QB 5.500 . 6.330 4.664 3.851 5.216 . 0 0 "[ . 1 . 2]" 1
51 1 42 ILE MG 1 43 SER H 5.500 . 6.330 2.393 1.960 4.286 . 0 0 "[ . 1 . 2]" 1
52 1 42 ILE MD 1 43 SER H 5.500 . 6.330 4.783 4.385 5.595 . 0 0 "[ . 1 . 2]" 1
53 1 42 ILE H 1 43 SER H 2.870 . 3.300 2.436 2.144 2.789 . 0 0 "[ . 1 . 2]" 1
54 1 43 SER H 1 45 THR HB 5.500 . 6.330 5.479 3.883 6.404 0.074 14 0 "[ . 1 . 2]" 1
55 1 48 ALA HA 1 51 ARG H 3.400 . 3.910 3.311 2.975 3.892 . 0 0 "[ . 1 . 2]" 1
56 1 49 ALA HA 1 52 THR H 3.400 . 3.910 3.963 3.562 4.127 0.217 7 0 "[ . 1 . 2]" 1
57 1 50 ALA HA 1 51 ARG H 3.500 . 4.030 3.466 3.421 3.515 . 0 0 "[ . 1 . 2]" 1
58 1 50 ALA MB 1 52 THR H 5.500 . 6.330 4.608 4.425 4.941 . 0 0 "[ . 1 . 2]" 1
59 1 50 ALA HA 1 52 THR H 4.400 . 5.060 4.133 3.730 4.782 . 0 0 "[ . 1 . 2]" 1
60 1 50 ALA HA 1 53 ALA H 3.400 . 3.910 3.739 3.362 4.000 0.090 3 0 "[ . 1 . 2]" 1
61 1 51 ARG H 1 53 ALA H 4.000 . 4.600 4.383 3.765 4.699 0.099 12 0 "[ . 1 . 2]" 1
62 1 51 ARG QB 1 53 ALA H 5.500 . 6.330 5.004 4.404 5.356 . 0 0 "[ . 1 . 2]" 1
63 1 51 ARG QG 1 52 THR H 5.500 . 6.330 4.374 3.797 4.816 . 0 0 "[ . 1 . 2]" 1
64 1 51 ARG QD 1 52 THR H 5.500 . 6.330 4.394 3.347 5.171 . 0 0 "[ . 1 . 2]" 1
65 1 51 ARG H 1 52 THR H 2.800 . 3.220 2.638 2.545 2.784 . 0 0 "[ . 1 . 2]" 1
66 1 51 ARG H 1 54 ASP H 4.900 . 5.640 4.776 4.627 4.896 . 0 0 "[ . 1 . 2]" 1
67 1 51 ARG HA 1 54 ASP H 3.400 . 3.910 3.353 2.999 3.697 . 0 0 "[ . 1 . 2]" 1
68 1 51 ARG QD 1 54 ASP H 5.500 . 6.330 4.933 4.061 6.258 . 0 0 "[ . 1 . 2]" 1
69 1 51 ARG QD 1 55 ARG H 5.500 . 6.330 4.489 3.241 6.279 . 0 0 "[ . 1 . 2]" 1
70 1 52 THR H 1 54 ASP H 4.000 . 4.600 3.947 3.754 4.377 . 0 0 "[ . 1 . 2]" 1
71 1 52 THR HB 1 53 ALA H 5.500 . 6.330 3.691 3.301 4.150 . 0 0 "[ . 1 . 2]" 1
72 1 52 THR MG 1 53 ALA H 5.500 . 6.330 3.692 2.229 4.157 . 0 0 "[ . 1 . 2]" 1
73 1 52 THR H 1 53 ALA H 2.800 . 3.220 2.675 2.446 2.848 . 0 0 "[ . 1 . 2]" 1
74 1 53 ALA HA 1 54 ASP H 3.500 . 4.030 3.506 3.404 3.585 . 0 0 "[ . 1 . 2]" 1
75 1 53 ALA H 1 54 ASP H 2.800 . 3.220 2.535 2.348 2.653 . 0 0 "[ . 1 . 2]" 1
76 1 53 ALA H 1 55 ARG H 4.000 . 4.600 4.244 4.031 4.557 . 0 0 "[ . 1 . 2]" 1
77 1 53 ALA HA 1 56 LEU H 3.400 . 3.910 3.408 3.098 3.945 0.035 13 0 "[ . 1 . 2]" 1
78 1 53 ALA HA 1 57 LYS H 4.200 . 4.830 4.317 3.862 4.932 0.102 19 0 "[ . 1 . 2]" 1
79 1 54 ASP H 1 55 ARG H 2.800 . 3.220 2.702 2.409 2.869 . 0 0 "[ . 1 . 2]" 1
80 1 54 ASP HA 1 55 ARG H 3.500 . 4.030 3.535 3.478 3.603 . 0 0 "[ . 1 . 2]" 1
81 1 54 ASP H 1 55 ARG QB 5.500 . 6.330 4.506 4.192 4.830 . 0 0 "[ . 1 . 2]" 1
82 1 54 ASP H 1 56 LEU MD1 5.500 . 6.330 5.579 4.550 6.724 0.394 11 0 "[ . 1 . 2]" 1
83 1 54 ASP QB 1 56 LEU H 5.500 . 6.330 4.730 4.310 4.976 . 0 0 "[ . 1 . 2]" 1
84 1 54 ASP QB 1 57 LYS H 5.500 . 6.330 5.168 4.795 5.717 . 0 0 "[ . 1 . 2]" 1
85 1 55 ARG H 1 57 LYS H 4.000 . 4.600 4.147 3.746 4.561 . 0 0 "[ . 1 . 2]" 1
86 1 54 ASP QB 1 55 ARG H 5.500 . 6.330 2.669 2.322 2.947 . 0 0 "[ . 1 . 2]" 1
87 1 55 ARG HA 1 56 LEU H 3.500 . 4.030 3.530 3.441 3.575 . 0 0 "[ . 1 . 2]" 1
88 1 55 ARG H 1 56 LEU QD 5.500 . 6.330 4.340 3.519 5.490 . 0 0 "[ . 1 . 2]" 1
89 1 55 ARG H 1 56 LEU H 2.800 . 3.220 2.548 2.253 2.786 . 0 0 "[ . 1 . 2]" 1
90 1 55 ARG HA 1 57 LYS H 4.400 . 5.060 4.379 4.010 4.872 . 0 0 "[ . 1 . 2]" 1
91 1 55 ARG H 1 58 ALA H 4.900 . 5.640 5.051 4.774 5.576 . 0 0 "[ . 1 . 2]" 1
92 1 55 ARG HA 1 58 ALA H 3.400 . 3.910 3.660 3.140 3.993 0.083 5 0 "[ . 1 . 2]" 1
93 1 55 ARG H 1 58 ALA MB 5.500 . 6.330 5.124 4.662 5.737 . 0 0 "[ . 1 . 2]" 1
94 1 56 LEU H 1 58 ALA H 4.000 . 4.600 4.180 3.783 4.477 . 0 0 "[ . 1 . 2]" 1
95 1 56 LEU H 1 57 LYS H 2.800 . 3.220 2.639 2.508 2.827 . 0 0 "[ . 1 . 2]" 1
96 1 56 LEU HA 1 57 LYS H 3.500 . 4.030 3.530 3.476 3.619 . 0 0 "[ . 1 . 2]" 1
97 1 56 LEU HA 1 58 ALA H 4.500 . 5.180 4.271 3.770 4.491 . 0 0 "[ . 1 . 2]" 1
98 1 56 LEU QB 1 58 ALA H 5.500 . 6.330 4.796 4.472 5.064 . 0 0 "[ . 1 . 2]" 1
99 1 56 LEU HA 1 59 ALA H 3.400 . 3.910 3.184 2.827 3.948 0.038 15 0 "[ . 1 . 2]" 1
100 1 56 LEU MD1 1 59 ALA H 5.500 . 6.330 4.903 4.060 5.471 . 0 0 "[ . 1 . 2]" 1
101 1 56 LEU H 1 59 ALA MB 5.500 . 6.330 4.517 4.144 6.080 . 0 0 "[ . 1 . 2]" 1
102 1 56 LEU HG 1 57 LYS H 5.500 . 6.330 4.845 3.554 5.331 . 0 0 "[ . 1 . 2]" 1
103 1 56 LEU MD1 1 57 LYS H 5.500 . 6.330 4.446 4.010 4.985 . 0 0 "[ . 1 . 2]" 1
104 1 56 LEU MD2 1 57 LYS H 5.500 . 6.330 4.755 4.014 5.119 . 0 0 "[ . 1 . 2]" 1
105 1 56 LEU HG 1 59 ALA H 5.500 . 6.330 5.260 4.019 6.022 . 0 0 "[ . 1 . 2]" 1
106 1 57 LYS H 1 59 ALA H 5.000 . 5.750 3.885 3.700 4.517 . 0 0 "[ . 1 . 2]" 1
107 1 57 LYS H 1 58 ALA H 2.800 . 3.220 2.662 2.553 2.860 . 0 0 "[ . 1 . 2]" 1
108 1 57 LYS QB 1 59 ALA H 5.500 . 6.330 4.659 4.402 5.004 . 0 0 "[ . 1 . 2]" 1
109 1 57 LYS HA 1 60 GLY H 4.400 . 5.060 3.684 3.065 4.375 . 0 0 "[ . 1 . 2]" 1
110 1 56 LEU QB 1 61 PHE H 5.500 . 6.330 4.560 3.783 5.809 . 0 0 "[ . 1 . 2]" 1
111 1 58 ALA H 1 59 ALA MB 5.500 . 6.330 4.213 4.038 4.476 . 0 0 "[ . 1 . 2]" 1
112 1 58 ALA H 1 59 ALA H 2.800 . 3.220 2.526 2.378 2.747 . 0 0 "[ . 1 . 2]" 1
113 1 58 ALA HA 1 59 ALA H 3.500 . 4.030 3.482 3.397 3.532 . 0 0 "[ . 1 . 2]" 1
114 1 58 ALA MB 1 60 GLY H 5.500 . 6.330 4.484 4.313 4.762 . 0 0 "[ . 1 . 2]" 1
115 1 58 ALA HA 1 60 GLY H 4.400 . 5.060 3.918 3.599 4.367 . 0 0 "[ . 1 . 2]" 1
116 1 58 ALA H 1 60 GLY H 4.400 . 5.060 4.091 3.765 4.453 . 0 0 "[ . 1 . 2]" 1
117 1 58 ALA H 1 61 PHE H 5.500 . 6.330 5.210 4.859 5.754 . 0 0 "[ . 1 . 2]" 1
118 1 59 ALA H 1 61 PHE H 4.400 . 5.060 4.021 3.458 4.248 . 0 0 "[ . 1 . 2]" 1
119 1 59 ALA H 1 60 GLY QA 5.500 . 6.330 4.456 4.273 4.600 . 0 0 "[ . 1 . 2]" 1
120 1 59 ALA HA 1 60 GLY H 3.500 . 4.030 3.433 3.225 3.519 . 0 0 "[ . 1 . 2]" 1
121 1 59 ALA H 1 60 GLY H 5.500 . 6.330 2.510 2.373 2.731 . 0 0 "[ . 1 . 2]" 1
122 1 59 ALA H 1 61 PHE QB 5.500 . 6.330 4.960 4.259 5.546 . 0 0 "[ . 1 . 2]" 1
123 1 59 ALA MB 1 61 PHE H 5.500 . 6.330 3.729 2.760 4.239 . 0 0 "[ . 1 . 2]" 1
124 1 60 GLY H 1 61 PHE QB 5.500 . 6.330 4.210 3.859 4.763 . 0 0 "[ . 1 . 2]" 1
125 1 60 GLY H 1 61 PHE H 2.880 . 3.310 2.272 2.075 2.584 . 0 0 "[ . 1 . 2]" 1
126 1 61 PHE HB3 1 62 THR H 5.500 . 6.330 2.994 2.375 4.163 . 0 0 "[ . 1 . 2]" 1
127 1 61 PHE HB2 1 62 THR H 5.500 . 6.330 3.494 2.786 4.063 . 0 0 "[ . 1 . 2]" 1
128 1 61 PHE H 1 62 THR H 4.590 . 5.280 4.631 4.487 4.713 . 0 0 "[ . 1 . 2]" 1
129 1 61 PHE QD 1 62 THR H 5.500 . 6.330 3.796 3.406 4.159 . 0 0 "[ . 1 . 2]" 1
130 1 61 PHE HA 1 63 VAL H 5.500 . 6.330 5.027 4.024 6.191 . 0 0 "[ . 1 . 2]" 1
131 1 62 THR H 1 63 VAL H 4.460 . 5.130 2.828 2.053 4.339 . 0 0 "[ . 1 . 2]" 1
132 1 62 THR H 1 63 VAL HA 5.500 . 6.330 5.108 4.653 5.605 . 0 0 "[ . 1 . 2]" 1
133 1 62 THR MG 1 63 VAL H 5.500 . 6.330 3.201 2.704 3.647 . 0 0 "[ . 1 . 2]" 1
134 1 63 VAL H 1 64 THR H 4.300 . 4.950 4.264 3.899 4.453 . 0 0 "[ . 1 . 2]" 1
135 1 63 VAL QG 1 64 THR H 5.500 . 6.330 2.745 2.156 3.429 . 0 0 "[ . 1 . 2]" 1
136 1 63 VAL HA 1 64 THR H 2.200 . 2.530 2.211 2.150 2.304 . 0 0 "[ . 1 . 2]" 1
137 1 65 ASP HA 1 66 VAL H 2.200 . 2.530 2.279 2.163 2.403 . 0 0 "[ . 1 . 2]" 1
138 1 66 VAL HB 1 67 GLY H 5.500 . 6.330 3.616 2.616 4.361 . 0 0 "[ . 1 . 2]" 1
139 1 66 VAL HA 1 67 GLY H 2.200 . 2.530 2.210 2.118 2.254 . 0 0 "[ . 1 . 2]" 1
140 1 66 VAL H 1 67 GLY H 4.300 . 4.950 4.340 4.008 4.511 . 0 0 "[ . 1 . 2]" 1
141 1 68 ASN HA 1 69 LEU H 2.600 . 2.990 2.213 2.147 2.573 . 0 0 "[ . 1 . 2]" 1
142 1 69 LEU HA 1 70 SER H 3.500 . 4.030 2.221 2.140 2.359 . 0 0 "[ . 1 . 2]" 1
143 1 71 LEU H 1 72 PRO HA 5.500 . 6.330 5.259 4.757 5.762 . 0 0 "[ . 1 . 2]" 1
144 1 71 LEU H 1 72 PRO QD 5.500 . 6.330 4.281 3.724 4.542 . 0 0 "[ . 1 . 2]" 1
145 1 71 LEU HA 1 73 ASP H 5.500 . 6.330 3.994 3.466 5.435 . 0 0 "[ . 1 . 2]" 1
146 1 71 LEU QB 1 74 VAL H 5.500 . 6.330 3.237 2.416 6.397 0.067 10 0 "[ . 1 . 2]" 1
147 1 72 PRO QD 1 73 ASP H 5.500 . 6.330 2.704 2.380 3.081 . 0 0 "[ . 1 . 2]" 1
148 1 72 PRO HA 1 74 VAL H 5.500 . 6.330 4.171 3.665 5.011 . 0 0 "[ . 1 . 2]" 1
149 1 73 ASP H 1 74 VAL HA 5.500 . 6.330 4.996 4.763 5.206 . 0 0 "[ . 1 . 2]" 1
150 1 73 ASP H 1 74 VAL H 2.730 . 3.140 2.314 2.026 2.588 . 0 0 "[ . 1 . 2]" 1
151 1 73 ASP H 1 74 VAL HB 5.500 . 6.330 5.070 4.033 6.244 . 0 0 "[ . 1 . 2]" 1
152 1 73 ASP H 1 75 ALA MB 5.500 . 6.330 6.219 5.461 6.552 0.222 17 0 "[ . 1 . 2]" 1
153 1 74 VAL HA 1 75 ALA H 3.500 . 4.030 2.187 2.080 2.309 . 0 0 "[ . 1 . 2]" 1
154 1 74 VAL QG 1 75 ALA H 5.500 . 6.330 2.759 2.102 3.706 . 0 0 "[ . 1 . 2]" 1
155 1 71 LEU HG 1 74 VAL H 5.500 . 6.330 5.475 3.846 6.212 . 0 0 "[ . 1 . 2]" 1
156 1 74 VAL HA 1 76 ALA H 4.400 . 5.060 3.765 3.086 4.689 . 0 0 "[ . 1 . 2]" 1
157 1 74 VAL MG1 1 76 ALA H 5.500 . 6.330 3.899 1.860 5.169 . 0 0 "[ . 1 . 2]" 1
158 1 75 ALA HA 1 76 ALA H 3.500 . 4.030 3.197 2.490 3.581 . 0 0 "[ . 1 . 2]" 1
159 1 75 ALA H 1 76 ALA H 4.200 . 4.830 2.103 1.726 2.998 0.074 8 0 "[ . 1 . 2]" 1
160 1 76 ALA H 1 77 THR H 4.300 . 4.950 4.396 4.273 4.642 . 0 0 "[ . 1 . 2]" 1
161 1 76 ALA H 1 78 THR HB 5.500 . 6.330 5.175 4.254 6.390 0.060 12 0 "[ . 1 . 2]" 1
162 1 77 THR MG 1 78 THR H 5.500 . 6.330 4.287 4.188 4.380 . 0 0 "[ . 1 . 2]" 1
163 1 78 THR HB 1 79 VAL H 5.500 . 6.330 3.956 3.137 4.289 . 0 0 "[ . 1 . 2]" 1
164 1 78 THR MG 1 79 VAL H 5.500 . 6.330 2.529 2.076 3.681 . 0 0 "[ . 1 . 2]" 1
165 1 78 THR H 1 79 VAL H 4.300 . 4.950 4.269 4.158 4.378 . 0 0 "[ . 1 . 2]" 1
166 1 78 THR HA 1 79 VAL H 2.200 . 2.530 2.217 2.122 2.352 . 0 0 "[ . 1 . 2]" 1
167 1 78 THR H 1 79 VAL QG 5.500 . 6.330 4.425 4.156 4.707 . 0 0 "[ . 1 . 2]" 1
168 1 79 VAL HB 1 80 TYR H 5.500 . 6.330 4.321 4.239 4.394 . 0 0 "[ . 1 . 2]" 1
169 1 79 VAL HA 1 80 TYR H 2.200 . 2.530 2.192 2.118 2.239 . 0 0 "[ . 1 . 2]" 1
170 1 79 VAL H 1 80 TYR H 4.300 . 4.950 4.329 4.259 4.400 . 0 0 "[ . 1 . 2]" 1
171 1 80 TYR H 1 81 TYR H 4.300 . 4.950 4.457 4.340 4.580 . 0 0 "[ . 1 . 2]" 1
172 1 80 TYR HA 1 81 TYR H 2.200 . 2.530 2.209 2.105 2.357 . 0 0 "[ . 1 . 2]" 1
173 1 81 TYR HA 1 82 THR H 3.200 . 3.680 2.294 2.090 2.607 . 0 0 "[ . 1 . 2]" 1
174 1 82 THR H 1 83 GLU H 4.650 . 5.350 4.201 2.128 4.657 . 0 0 "[ . 1 . 2]" 1
175 1 82 THR HB 1 83 GLU H 5.500 . 6.330 3.227 1.851 4.072 . 0 0 "[ . 1 . 2]" 1
176 1 83 GLU H 1 84 VAL QG 5.500 . 6.330 3.332 2.765 3.999 . 0 0 "[ . 1 . 2]" 1
177 1 83 GLU H 1 84 VAL H 3.660 . 4.210 2.490 1.760 3.152 0.040 5 0 "[ . 1 . 2]" 1
178 1 82 THR MG 1 83 GLU H 5.500 . 6.330 2.310 1.687 3.864 0.113 8 0 "[ . 1 . 2]" 1
179 1 84 VAL HA 1 85 GLU H 3.500 . 4.030 2.178 2.113 2.474 . 0 0 "[ . 1 . 2]" 1
180 1 84 VAL QG 1 85 GLU H 5.500 . 6.330 2.994 2.479 3.343 . 0 0 "[ . 1 . 2]" 1
181 1 84 VAL MG1 1 87 GLU H 5.500 . 6.330 4.844 3.942 5.202 . 0 0 "[ . 1 . 2]" 1
182 1 84 VAL HB 1 87 GLU H 5.500 . 6.330 4.593 4.014 5.786 . 0 0 "[ . 1 . 2]" 1
183 1 84 VAL H 1 87 GLU QB 5.500 . 6.330 3.296 2.267 4.382 . 0 0 "[ . 1 . 2]" 1
184 1 86 GLY QA 1 87 GLU H 3.500 . 4.030 2.724 2.552 2.877 . 0 0 "[ . 1 . 2]" 1
185 1 86 GLY QA 1 89 ALA H 3.400 . 3.910 3.431 2.684 4.101 0.191 19 0 "[ . 1 . 2]" 1
186 1 87 GLU H 1 88 ARG H 2.800 . 3.220 2.643 2.375 2.956 . 0 0 "[ . 1 . 2]" 1
187 1 87 GLU H 1 89 ALA MB 5.500 . 6.330 5.036 4.620 5.329 . 0 0 "[ . 1 . 2]" 1
188 1 87 GLU HA 1 88 ARG H 3.500 . 4.030 3.498 3.402 3.576 . 0 0 "[ . 1 . 2]" 1
189 1 87 GLU HB3 1 88 ARG H 5.500 . 6.330 3.614 2.719 4.152 . 0 0 "[ . 1 . 2]" 1
190 1 87 GLU HB2 1 88 ARG H 5.500 . 6.330 3.153 2.673 4.140 . 0 0 "[ . 1 . 2]" 1
191 1 87 GLU H 1 88 ARG QB 5.500 . 6.330 4.702 4.259 5.286 . 0 0 "[ . 1 . 2]" 1
192 1 87 GLU HA 1 89 ALA H 4.200 . 4.830 3.989 3.525 4.460 . 0 0 "[ . 1 . 2]" 1
193 1 87 GLU QB 1 89 ALA H 5.500 . 6.330 4.718 4.545 4.973 . 0 0 "[ . 1 . 2]" 1
194 1 87 GLU HA 1 90 THR H 3.400 . 3.910 3.500 3.148 3.887 . 0 0 "[ . 1 . 2]" 1
195 1 87 GLU HA 1 91 ALA H 4.200 . 4.830 4.337 3.869 4.874 0.044 1 0 "[ . 1 . 2]" 1
196 1 88 ARG H 1 89 ALA H 2.800 . 3.220 2.689 2.528 2.881 . 0 0 "[ . 1 . 2]" 1
197 1 88 ARG HA 1 89 ALA H 3.500 . 4.030 3.506 3.469 3.559 . 0 0 "[ . 1 . 2]" 1
198 1 88 ARG HB3 1 89 ALA H 5.500 . 6.330 3.853 2.516 4.251 . 0 0 "[ . 1 . 2]" 1
199 1 88 ARG HA 1 90 THR H 4.200 . 4.830 4.429 4.099 4.721 . 0 0 "[ . 1 . 2]" 1
200 1 88 ARG H 1 90 THR MG 5.500 . 6.330 5.113 4.223 6.567 0.237 13 0 "[ . 1 . 2]" 1
201 1 88 ARG HA 1 91 ALA H 3.400 . 3.910 3.580 3.069 3.947 0.037 3 0 "[ . 1 . 2]" 1
202 1 88 ARG HA 1 92 ASP H 4.200 . 4.830 4.042 3.618 4.384 . 0 0 "[ . 1 . 2]" 1
203 1 89 ALA H 1 90 THR H 2.800 . 3.220 2.622 2.393 2.849 . 0 0 "[ . 1 . 2]" 1
204 1 89 ALA H 1 91 ALA H 4.230 . 4.860 4.001 3.670 4.425 . 0 0 "[ . 1 . 2]" 1
205 1 89 ALA HA 1 92 ASP H 4.500 . 5.180 3.651 3.340 4.153 . 0 0 "[ . 1 . 2]" 1
206 1 91 ALA MB 1 93 ALA H 4.200 . 4.830 4.585 4.428 4.800 . 0 0 "[ . 1 . 2]" 1
207 1 90 THR H 1 91 ALA H 2.830 . 3.250 2.443 2.237 2.710 . 0 0 "[ . 1 . 2]" 1
208 1 90 THR HA 1 91 ALA H 3.500 . 4.030 3.518 3.459 3.584 . 0 0 "[ . 1 . 2]" 1
209 1 90 THR HB 1 91 ALA H 5.500 . 6.330 3.732 2.400 4.168 . 0 0 "[ . 1 . 2]" 1
210 1 90 THR H 1 91 ALA HA 5.500 . 6.330 5.132 4.972 5.352 . 0 0 "[ . 1 . 2]" 1
211 1 90 THR MG 1 91 ALA H 5.500 . 6.330 3.017 2.073 3.944 . 0 0 "[ . 1 . 2]" 1
212 1 90 THR H 1 92 ASP H 4.000 . 4.600 3.907 3.696 4.049 . 0 0 "[ . 1 . 2]" 1
213 1 90 THR MG 1 92 ASP H 5.500 . 6.330 4.821 4.230 5.491 . 0 0 "[ . 1 . 2]" 1
214 1 90 THR H 1 93 ALA H 4.900 . 5.640 4.943 4.640 5.223 . 0 0 "[ . 1 . 2]" 1
215 1 90 THR HA 1 93 ALA H 3.400 . 3.910 3.580 3.262 3.866 . 0 0 "[ . 1 . 2]" 1
216 1 90 THR HA 1 92 ASP H 4.500 . 5.180 4.276 4.092 4.484 . 0 0 "[ . 1 . 2]" 1
217 1 90 THR MG 1 93 ALA H 5.500 . 6.330 5.215 4.935 5.587 . 0 0 "[ . 1 . 2]" 1
218 1 91 ALA H 1 92 ASP H 2.800 . 3.220 2.543 2.374 2.729 . 0 0 "[ . 1 . 2]" 1
219 1 91 ALA HA 1 92 ASP H 3.500 . 4.030 3.503 3.462 3.567 . 0 0 "[ . 1 . 2]" 1
220 1 91 ALA H 1 93 ALA H 4.000 . 4.600 4.187 4.040 4.377 . 0 0 "[ . 1 . 2]" 1
221 1 91 ALA HA 1 93 ALA H 4.200 . 4.830 4.352 4.043 4.711 . 0 0 "[ . 1 . 2]" 1
222 1 91 ALA H 1 94 VAL H 4.900 . 5.640 4.976 4.680 5.327 . 0 0 "[ . 1 . 2]" 1
223 1 91 ALA HA 1 94 VAL H 3.400 . 3.910 3.476 3.014 3.773 . 0 0 "[ . 1 . 2]" 1
224 1 91 ALA MB 1 95 GLY H 5.500 . 6.330 4.398 4.164 4.643 . 0 0 "[ . 1 . 2]" 1
225 1 92 ASP H 1 93 ALA H 2.800 . 3.220 2.683 2.468 2.911 . 0 0 "[ . 1 . 2]" 1
226 1 92 ASP H 1 93 ALA MB 5.500 . 6.330 4.320 4.167 4.492 . 0 0 "[ . 1 . 2]" 1
227 1 92 ASP HA 1 93 ALA H 3.500 . 4.030 3.539 3.487 3.574 . 0 0 "[ . 1 . 2]" 1
228 1 92 ASP QB 1 94 VAL H 5.500 . 6.330 4.817 4.577 5.080 . 0 0 "[ . 1 . 2]" 1
229 1 92 ASP HA 1 94 VAL H 4.400 . 5.060 4.490 3.971 4.829 . 0 0 "[ . 1 . 2]" 1
230 1 92 ASP HA 1 95 GLY H 3.400 . 3.910 3.742 3.470 4.005 0.095 16 0 "[ . 1 . 2]" 1
231 1 92 ASP HA 1 96 ARG H 4.200 . 4.830 4.219 3.829 4.892 0.062 1 0 "[ . 1 . 2]" 1
232 1 93 ALA H 1 94 VAL H 2.800 . 3.220 2.736 2.500 2.928 . 0 0 "[ . 1 . 2]" 1
233 1 93 ALA HA 1 94 VAL H 3.500 . 4.030 3.554 3.488 3.585 . 0 0 "[ . 1 . 2]" 1
234 1 93 ALA H 1 94 VAL QG 5.500 . 6.330 4.034 3.765 4.347 . 0 0 "[ . 1 . 2]" 1
235 1 93 ALA H 1 95 GLY H 4.000 . 4.600 4.334 3.898 4.621 0.021 20 0 "[ . 1 . 2]" 1
236 1 93 ALA HA 1 95 GLY H 4.500 . 5.180 4.823 4.407 5.086 . 0 0 "[ . 1 . 2]" 1
237 1 93 ALA H 1 96 ARG H 4.900 . 5.640 4.905 4.658 5.241 . 0 0 "[ . 1 . 2]" 1
238 1 94 VAL H 1 95 GLY H 2.800 . 3.220 2.652 2.445 2.813 . 0 0 "[ . 1 . 2]" 1
239 1 94 VAL HA 1 95 GLY H 3.500 . 4.030 3.571 3.521 3.614 . 0 0 "[ . 1 . 2]" 1
240 1 94 VAL HB 1 95 GLY H 5.500 . 6.330 2.484 2.240 2.888 . 0 0 "[ . 1 . 2]" 1
241 1 94 VAL QG 1 95 GLY H 5.500 . 6.330 3.148 3.007 3.359 . 0 0 "[ . 1 . 2]" 1
242 1 94 VAL H 1 96 ARG H 4.000 . 4.600 3.982 3.717 4.225 . 0 0 "[ . 1 . 2]" 1
243 1 94 VAL HB 1 96 ARG H 5.500 . 6.330 4.815 4.551 5.232 . 0 0 "[ . 1 . 2]" 1
244 1 94 VAL MG1 1 96 ARG H 5.500 . 6.330 4.815 4.680 5.121 . 0 0 "[ . 1 . 2]" 1
245 1 94 VAL HA 1 96 ARG H 4.200 . 4.830 4.213 3.871 4.564 . 0 0 "[ . 1 . 2]" 1
246 1 94 VAL H 1 97 THR H 4.900 . 5.640 4.746 4.438 4.997 . 0 0 "[ . 1 . 2]" 1
247 1 94 VAL HA 1 97 THR H 3.500 . 4.030 3.453 2.836 3.875 . 0 0 "[ . 1 . 2]" 1
248 1 94 VAL MG2 1 97 THR H 5.500 . 6.330 5.257 4.770 5.549 . 0 0 "[ . 1 . 2]" 1
249 1 94 VAL HA 1 98 LEU H 4.200 . 4.830 4.195 3.793 4.732 . 0 0 "[ . 1 . 2]" 1
250 1 94 VAL MG1 1 98 LEU H 5.500 . 6.330 3.985 3.552 4.340 . 0 0 "[ . 1 . 2]" 1
251 1 95 GLY H 1 96 ARG H 2.800 . 3.220 2.633 2.559 2.736 . 0 0 "[ . 1 . 2]" 1
252 1 95 GLY QA 1 96 ARG H 3.500 . 4.030 2.777 2.671 2.850 . 0 0 "[ . 1 . 2]" 1
253 1 95 GLY H 1 97 THR H 4.200 . 4.830 4.148 3.763 4.609 . 0 0 "[ . 1 . 2]" 1
254 1 95 GLY QA 1 97 THR H 4.400 . 5.060 4.047 3.787 4.493 . 0 0 "[ . 1 . 2]" 1
255 1 95 GLY HA2 1 98 LEU H 3.500 . 4.030 3.584 3.156 4.064 0.034 18 0 "[ . 1 . 2]" 1
256 1 95 GLY HA3 1 98 LEU H 5.500 . 6.330 4.804 4.458 5.119 . 0 0 "[ . 1 . 2]" 1
257 1 95 GLY HA3 1 99 GLY H 4.500 . 5.180 4.883 4.616 5.227 0.047 16 0 "[ . 1 . 2]" 1
258 1 95 GLY HA2 1 99 GLY H 4.500 . 5.180 3.923 3.575 4.443 . 0 0 "[ . 1 . 2]" 1
259 1 96 ARG H 1 97 THR H 2.800 . 3.220 2.470 2.312 2.697 . 0 0 "[ . 1 . 2]" 1
260 1 96 ARG HA 1 97 THR H 3.500 . 4.030 3.539 3.477 3.588 . 0 0 "[ . 1 . 2]" 1
261 1 96 ARG QG 1 97 THR H 5.500 . 6.330 4.029 3.376 4.523 . 0 0 "[ . 1 . 2]" 1
262 1 96 ARG H 1 97 THR HA 5.500 . 6.330 5.149 5.000 5.332 . 0 0 "[ . 1 . 2]" 1
263 1 94 VAL HB 1 98 LEU H 5.500 . 6.330 5.730 5.540 6.069 . 0 0 "[ . 1 . 2]" 1
264 1 96 ARG QB 1 99 GLY H 5.500 . 6.330 4.947 4.658 5.281 . 0 0 "[ . 1 . 2]" 1
265 1 96 ARG HA 1 99 GLY H 4.500 . 5.180 3.502 3.188 3.902 . 0 0 "[ . 1 . 2]" 1
266 1 97 THR MG 1 98 LEU H 5.500 . 6.330 3.666 3.397 4.007 . 0 0 "[ . 1 . 2]" 1
267 1 97 THR H 1 98 LEU QD 5.500 . 6.330 5.333 3.786 5.707 . 0 0 "[ . 1 . 2]" 1
268 1 97 THR H 1 98 LEU HA 5.500 . 6.330 5.244 5.068 5.379 . 0 0 "[ . 1 . 2]" 1
269 1 98 LEU H 1 99 GLY H 2.810 . 3.230 2.347 2.137 2.582 . 0 0 "[ . 1 . 2]" 1
270 1 98 LEU HG 1 99 GLY H 5.500 . 6.330 4.295 2.994 5.702 . 0 0 "[ . 1 . 2]" 1
271 1 98 LEU QD 1 99 GLY H 5.500 . 6.330 3.969 2.500 4.242 . 0 0 "[ . 1 . 2]" 1
272 1 98 LEU QB 1 100 ALA H 5.500 . 6.330 3.155 2.444 5.285 . 0 0 "[ . 1 . 2]" 1
273 1 98 LEU HG 1 100 ALA H 5.500 . 6.330 4.142 3.249 5.731 . 0 0 "[ . 1 . 2]" 1
274 1 98 LEU MD2 1 100 ALA H 5.500 . 6.330 4.162 3.468 5.616 . 0 0 "[ . 1 . 2]" 1
275 1 98 LEU HA 1 100 ALA H 5.500 . 6.330 5.069 4.490 5.904 . 0 0 "[ . 1 . 2]" 1
276 1 99 GLY H 1 100 ALA MB 5.500 . 6.330 4.176 3.956 4.361 . 0 0 "[ . 1 . 2]" 1
277 1 100 ALA H 1 101 ALA H 4.320 . 4.970 4.472 4.378 4.566 . 0 0 "[ . 1 . 2]" 1
278 1 100 ALA HA 1 101 ALA H 2.700 . 3.110 2.379 2.207 2.689 . 0 0 "[ . 1 . 2]" 1
279 1 101 ALA HA 1 102 VAL H 2.200 . 2.530 2.256 2.148 2.435 . 0 0 "[ . 1 . 2]" 1
280 1 102 VAL H 1 103 GLU H 4.200 . 4.830 4.385 4.155 4.589 . 0 0 "[ . 1 . 2]" 1
281 1 102 VAL HA 1 103 GLU H 2.200 . 2.530 2.173 2.102 2.270 . 0 0 "[ . 1 . 2]" 1
282 1 102 VAL QG 1 103 GLU H 5.500 . 6.330 3.519 2.494 3.759 . 0 0 "[ . 1 . 2]" 1
283 1 102 VAL HB 1 103 GLU H 5.500 . 6.330 3.361 2.772 3.924 . 0 0 "[ . 1 . 2]" 1
284 1 104 LEU H 1 106 LEU QD 5.500 . 6.330 3.615 3.014 4.643 . 0 0 "[ . 1 . 2]" 1
285 1 105 ARG H 1 106 LEU QD 5.500 . 6.330 4.314 3.001 5.779 . 0 0 "[ . 1 . 2]" 1
286 1 103 GLU H 1 104 LEU H 4.500 . 5.180 4.413 4.316 4.508 . 0 0 "[ . 1 . 2]" 1
287 1 103 GLU HA 1 104 LEU H 2.200 . 2.530 2.328 2.160 2.543 0.013 6 0 "[ . 1 . 2]" 1
288 1 104 LEU HA 1 105 ARG H 3.500 . 4.030 2.592 2.252 2.858 . 0 0 "[ . 1 . 2]" 1
289 1 104 LEU QD 1 105 ARG H 5.500 . 6.330 3.034 1.913 4.003 . 0 0 "[ . 1 . 2]" 1
290 1 106 LEU MD1 1 108 GLU H 5.500 . 6.330 4.607 2.259 5.943 . 0 0 "[ . 1 . 2]" 1
291 1 106 LEU MD1 1 109 LEU H 5.500 . 6.330 5.123 2.788 5.794 . 0 0 "[ . 1 . 2]" 1
292 1 107 PRO HA 1 110 SER H 3.700 . 4.260 3.960 3.061 4.401 0.141 20 0 "[ . 1 . 2]" 1
293 1 108 GLU H 1 109 LEU H 2.800 . 3.220 2.676 2.499 2.933 . 0 0 "[ . 1 . 2]" 1
294 1 108 GLU HA 1 109 LEU H 3.500 . 4.030 3.508 3.353 3.632 . 0 0 "[ . 1 . 2]" 1
295 1 108 GLU QG 1 109 LEU H 5.500 . 6.330 4.188 2.408 4.959 . 0 0 "[ . 1 . 2]" 1
296 1 108 GLU H 1 110 SER H 4.200 . 4.830 4.223 3.565 4.567 . 0 0 "[ . 1 . 2]" 1
297 1 108 GLU HA 1 110 SER H 4.000 . 4.600 3.790 3.353 4.369 . 0 0 "[ . 1 . 2]" 1
298 1 108 GLU QB 1 110 SER H 5.500 . 6.330 4.567 4.293 4.887 . 0 0 "[ . 1 . 2]" 1
299 1 108 GLU QG 1 110 SER H 5.500 . 6.330 5.505 4.646 6.055 . 0 0 "[ . 1 . 2]" 1
300 1 108 GLU HA 1 111 ASP H 3.700 . 4.260 3.938 3.421 4.350 0.090 14 0 "[ . 1 . 2]" 1
301 1 109 LEU H 1 110 SER H 2.710 . 3.120 2.673 2.297 2.829 . 0 0 "[ . 1 . 2]" 1
302 1 109 LEU HG 1 110 SER H 5.500 . 6.330 4.972 3.764 5.906 . 0 0 "[ . 1 . 2]" 1
303 1 109 LEU QD 1 110 SER H 5.500 . 6.330 4.013 2.713 4.599 . 0 0 "[ . 1 . 2]" 1
304 1 109 LEU HA 1 110 SER H 3.500 . 4.030 3.391 3.223 3.486 . 0 0 "[ . 1 . 2]" 1
305 1 109 LEU HA 1 111 ASP H 4.000 . 4.600 3.913 3.160 4.649 0.049 1 0 "[ . 1 . 2]" 1
306 1 107 PRO HA 1 109 LEU H 4.400 . 5.060 4.136 3.606 5.044 . 0 0 "[ . 1 . 2]" 1
307 1 109 LEU QB 1 112 GLN H 5.500 . 6.330 4.878 4.110 5.580 . 0 0 "[ . 1 . 2]" 1
308 1 110 SER H 1 111 ASP H 2.780 . 3.200 2.659 2.311 2.893 . 0 0 "[ . 1 . 2]" 1
309 1 110 SER H 1 112 GLN H 4.500 . 5.180 3.950 3.471 4.342 . 0 0 "[ . 1 . 2]" 1
310 1 110 SER HA 1 112 GLN H 4.500 . 5.180 4.551 3.324 5.225 0.045 13 0 "[ . 1 . 2]" 1
311 1 111 ASP H 1 112 GLN H 3.410 . 3.920 2.223 1.813 2.613 . 0 0 "[ . 1 . 2]" 1
312 1 112 GLN QE 1 115 GLY H 5.500 . 6.330 5.305 2.769 6.579 0.249 11 0 "[ . 1 . 2]" 1
313 1 109 LEU HA 1 112 GLN H 5.500 . 6.330 3.221 2.442 4.618 . 0 0 "[ . 1 . 2]" 1
314 1 112 GLN H 1 113 PRO QB 5.500 . 6.330 6.013 5.092 6.595 0.265 8 0 "[ . 1 . 2]" 1
315 1 112 GLN H 1 113 PRO QG 5.500 . 6.330 5.452 3.656 6.292 . 0 0 "[ . 1 . 2]" 1
316 1 114 PRO QD 1 115 GLY H 5.500 . 6.330 4.947 4.803 5.021 . 0 0 "[ . 1 . 2]" 1
317 1 115 GLY H 1 116 VAL H 4.200 . 4.830 4.402 4.103 4.622 . 0 0 "[ . 1 . 2]" 1
318 1 115 GLY QA 1 116 VAL H 2.200 . 2.530 2.239 2.102 2.310 . 0 0 "[ . 1 . 2]" 1
319 1 116 VAL HA 1 117 ILE H 2.200 . 2.530 2.181 2.136 2.231 . 0 0 "[ . 1 . 2]" 1
320 1 116 VAL H 1 117 ILE HA 5.500 . 6.330 5.328 4.781 5.627 . 0 0 "[ . 1 . 2]" 1
321 1 116 VAL HB 1 117 ILE H 5.500 . 6.330 4.310 3.381 4.526 . 0 0 "[ . 1 . 2]" 1
322 1 116 VAL QG 1 117 ILE H 5.500 . 6.330 2.988 2.402 3.601 . 0 0 "[ . 1 . 2]" 1
323 1 116 VAL H 1 117 ILE H 4.200 . 4.830 4.394 4.095 4.598 . 0 0 "[ . 1 . 2]" 1
324 1 117 ILE H 1 118 VAL H 4.500 . 5.180 4.221 4.057 4.466 . 0 0 "[ . 1 . 2]" 1
325 1 117 ILE HB 1 118 VAL H 5.500 . 6.330 3.577 2.773 4.396 . 0 0 "[ . 1 . 2]" 1
326 1 117 ILE H 1 118 VAL QG 5.500 . 6.330 4.583 4.143 5.197 . 0 0 "[ . 1 . 2]" 1
327 1 118 VAL H 1 119 VAL H 4.500 . 5.180 4.181 3.958 4.354 . 0 0 "[ . 1 . 2]" 1
328 1 118 VAL HA 1 119 VAL H 2.200 . 2.530 2.170 2.076 2.276 . 0 0 "[ . 1 . 2]" 1
329 1 118 VAL HB 1 119 VAL H 5.500 . 6.330 4.378 4.242 4.478 . 0 0 "[ . 1 . 2]" 1
330 1 118 VAL H 1 119 VAL QG 5.500 . 6.330 4.399 3.983 5.143 . 0 0 "[ . 1 . 2]" 1
331 1 118 VAL QG 1 120 VAL H 5.500 . 6.330 4.233 3.878 4.662 . 0 0 "[ . 1 . 2]" 1
332 1 119 VAL H 1 120 VAL H 4.230 . 4.860 4.424 4.303 4.498 . 0 0 "[ . 1 . 2]" 1
333 1 119 VAL HA 1 120 VAL H 2.200 . 2.530 2.152 2.101 2.224 . 0 0 "[ . 1 . 2]" 1
334 1 119 VAL HB 1 120 VAL H 5.500 . 6.330 4.127 3.179 4.384 . 0 0 "[ . 1 . 2]" 1
335 1 119 VAL QG 1 120 VAL H 5.500 . 6.330 2.860 2.603 3.598 . 0 0 "[ . 1 . 2]" 1
336 1 120 VAL H 1 121 THR H 4.280 . 4.920 4.374 4.239 4.557 . 0 0 "[ . 1 . 2]" 1
337 1 120 VAL HA 1 121 THR H 2.200 . 2.530 2.169 2.128 2.269 . 0 0 "[ . 1 . 2]" 1
338 1 120 VAL HB 1 121 THR H 5.500 . 6.330 4.114 3.878 4.241 . 0 0 "[ . 1 . 2]" 1
339 1 120 VAL HB 1 122 GLY H 5.500 . 6.330 5.935 4.796 6.539 0.209 20 0 "[ . 1 . 2]" 1
340 1 120 VAL MG1 1 122 GLY H 5.500 . 6.330 4.352 3.353 4.915 . 0 0 "[ . 1 . 2]" 1
341 1 121 THR H 1 122 GLY H 4.300 . 4.950 4.413 4.025 4.617 . 0 0 "[ . 1 . 2]" 1
342 1 121 THR MG 1 122 GLY H 5.500 . 6.330 3.754 3.249 4.217 . 0 0 "[ . 1 . 2]" 1
343 1 42 ILE HA 1 69 LEU H 3.000 . 3.450 3.175 2.639 3.575 0.125 20 0 "[ . 1 . 2]" 1
344 1 41 ASN H 1 69 LEU H 3.700 . 4.260 3.708 3.199 4.261 0.001 15 0 "[ . 1 . 2]" 1
345 1 40 TYR QD 1 69 LEU H 5.500 . 6.330 3.696 1.815 5.248 . 0 0 "[ . 1 . 2]" 1
346 1 42 ILE MD 1 69 LEU H 5.500 . 6.330 5.232 3.832 5.971 . 0 0 "[ . 1 . 2]" 1
347 1 40 TYR HD1 1 67 GLY H 5.500 . 6.330 4.230 2.555 6.436 0.106 18 0 "[ . 1 . 2]" 1
348 1 41 ASN H 1 68 ASN HA 3.000 . 3.450 2.386 1.749 2.935 0.051 14 0 "[ . 1 . 2]" 1
349 1 41 ASN QB 1 69 LEU H 5.500 . 6.330 4.242 3.804 4.694 . 0 0 "[ . 1 . 2]" 1
350 1 38 ARG HA 1 64 THR H 5.500 . 6.330 6.185 5.829 6.509 0.179 14 0 "[ . 1 . 2]" 1
351 1 37 VAL HA 1 63 VAL H 5.500 . 6.330 6.290 5.962 6.534 0.204 14 0 "[ . 1 . 2]" 1
352 1 39 VAL H 1 66 VAL HA 3.000 . 3.450 2.804 2.370 3.157 . 0 0 "[ . 1 . 2]" 1
353 1 39 VAL QG 1 119 VAL H 5.500 . 6.330 4.907 4.619 5.385 . 0 0 "[ . 1 . 2]" 1
354 1 36 GLU H 1 115 GLY QA 5.500 . 6.330 4.139 3.014 5.694 . 0 0 "[ . 1 . 2]" 1
355 1 40 TYR H 1 117 ILE HB 5.500 . 6.330 4.741 3.617 6.464 0.134 18 0 "[ . 1 . 2]" 1
356 1 40 TYR QD 1 118 VAL H 5.500 . 6.330 4.540 3.872 5.364 . 0 0 "[ . 1 . 2]" 1
357 1 42 ILE H 1 120 VAL H 3.740 . 4.300 3.424 2.862 4.032 . 0 0 "[ . 1 . 2]" 1
358 1 40 TYR H 1 118 VAL HB 5.500 . 6.330 4.432 3.371 5.901 . 0 0 "[ . 1 . 2]" 1
359 1 42 ILE H 1 120 VAL HB 5.500 . 6.330 4.142 3.645 4.514 . 0 0 "[ . 1 . 2]" 1
360 1 42 ILE H 1 120 VAL HA 5.500 . 6.330 5.069 4.613 5.353 . 0 0 "[ . 1 . 2]" 1
361 1 40 TYR H 1 119 VAL H 5.500 . 6.330 4.746 4.541 5.166 . 0 0 "[ . 1 . 2]" 1
362 1 40 TYR H 1 119 VAL HA 3.500 . 4.030 3.070 2.721 3.631 . 0 0 "[ . 1 . 2]" 1
363 1 40 TYR H 1 119 VAL MG1 5.500 . 6.330 4.712 3.212 5.350 . 0 0 "[ . 1 . 2]" 1
364 1 39 VAL HA 1 118 VAL H 3.000 . 3.450 2.702 2.229 3.109 . 0 0 "[ . 1 . 2]" 1
365 1 41 ASN HA 1 120 VAL H 3.000 . 3.450 2.598 2.115 3.046 . 0 0 "[ . 1 . 2]" 1
366 1 41 ASN H 1 119 VAL QG 5.500 . 6.330 5.107 4.200 5.765 . 0 0 "[ . 1 . 2]" 1
367 1 38 ARG H 1 118 VAL H 4.130 . 4.750 3.674 3.391 4.069 . 0 0 "[ . 1 . 2]" 1
368 1 38 ARG H 1 117 ILE HA 3.000 . 3.450 3.136 2.397 3.502 0.052 14 0 "[ . 1 . 2]" 1
369 1 40 TYR H 1 120 VAL H 4.160 . 4.780 4.133 3.568 4.478 . 0 0 "[ . 1 . 2]" 1
370 1 42 ILE QG 1 122 GLY H 5.500 . 6.330 5.799 4.818 6.419 0.089 10 0 "[ . 1 . 2]" 1
371 1 80 TYR H 1 117 ILE HB 5.500 . 6.330 4.917 3.658 5.471 . 0 0 "[ . 1 . 2]" 1
372 1 80 TYR H 1 116 VAL HA 5.500 . 6.330 5.061 4.527 5.931 . 0 0 "[ . 1 . 2]" 1
373 1 80 TYR H 1 117 ILE H 5.500 . 6.330 3.638 3.346 4.163 . 0 0 "[ . 1 . 2]" 1
374 1 80 TYR QD 1 117 ILE H 5.500 . 6.330 4.472 1.953 5.515 . 0 0 "[ . 1 . 2]" 1
375 1 80 TYR QB 1 117 ILE H 5.500 . 6.330 3.204 2.552 3.757 . 0 0 "[ . 1 . 2]" 1
376 1 80 TYR QB 1 118 VAL H 5.500 . 6.330 5.712 5.103 6.292 . 0 0 "[ . 1 . 2]" 1
377 1 80 TYR H 1 119 VAL H 3.200 . 3.680 3.707 3.261 3.926 0.246 16 0 "[ . 1 . 2]" 1
378 1 80 TYR H 1 119 VAL QG 5.500 . 6.330 3.847 3.465 4.139 . 0 0 "[ . 1 . 2]" 1
379 1 78 THR H 1 121 THR H 4.200 . 4.830 4.813 4.467 5.023 0.193 9 0 "[ . 1 . 2]" 1
380 1 77 THR H 1 121 THR MG 5.500 . 6.330 2.762 2.096 3.926 . 0 0 "[ . 1 . 2]" 1
381 1 76 ALA H 1 121 THR MG 5.500 . 6.330 4.133 2.915 5.625 . 0 0 "[ . 1 . 2]" 1
382 1 77 THR HB 1 122 GLY H 5.500 . 6.330 5.759 5.273 6.247 . 0 0 "[ . 1 . 2]" 1
383 1 79 VAL HA 1 119 VAL H 3.800 . 4.370 2.936 2.456 3.295 . 0 0 "[ . 1 . 2]" 1
384 1 78 THR H 1 119 VAL H 5.500 . 6.330 3.613 3.429 3.802 . 0 0 "[ . 1 . 2]" 1
385 1 80 TYR H 1 118 VAL HA 3.800 . 4.370 3.110 2.515 3.655 . 0 0 "[ . 1 . 2]" 1
386 1 78 THR H 1 120 VAL HA 3.800 . 4.370 3.836 3.480 4.102 . 0 0 "[ . 1 . 2]" 1
387 1 78 THR H 1 119 VAL HB 5.500 . 6.330 3.511 2.262 5.290 . 0 0 "[ . 1 . 2]" 1
388 1 78 THR H 1 121 THR MG 5.500 . 6.330 4.842 4.144 5.641 . 0 0 "[ . 1 . 2]" 1
389 1 77 THR MG 1 121 THR H 5.500 . 6.330 3.579 3.320 3.891 . 0 0 "[ . 1 . 2]" 1
390 1 39 VAL MG1 1 52 THR H 5.500 . 6.330 4.618 4.132 5.481 . 0 0 "[ . 1 . 2]" 1
391 1 39 VAL HB 1 54 ASP H 6.000 . 6.900 6.446 5.679 7.050 0.150 3 0 "[ . 1 . 2]" 1
392 1 37 VAL QG 1 61 PHE H 5.500 . 6.330 5.946 5.144 6.491 0.161 5 0 "[ . 1 . 2]" 1
393 1 37 VAL H 1 62 THR H 4.200 . 4.830 5.034 4.702 6.636 1.806 5 1 "[ + 1 . 2]" 1
394 1 82 THR H 1 87 GLU QG 5.500 . 6.330 4.072 2.195 5.344 . 0 0 "[ . 1 . 2]" 1
395 1 83 GLU QB 1 87 GLU H 4.500 . 5.180 5.117 3.525 5.479 0.299 18 0 "[ . 1 . 2]" 1
396 1 82 THR H 1 87 GLU QB 5.500 . 6.330 2.979 2.426 3.778 . 0 0 "[ . 1 . 2]" 1
397 1 80 TYR H 1 91 ALA MB 5.500 . 6.330 4.856 3.979 5.391 . 0 0 "[ . 1 . 2]" 1
398 1 81 TYR H 1 91 ALA MB 5.500 . 6.330 4.434 3.713 4.921 . 0 0 "[ . 1 . 2]" 1
399 1 79 VAL MG2 1 101 ALA H 5.500 . 6.330 4.466 3.867 4.899 . 0 0 "[ . 1 . 2]" 1
400 1 78 THR MG 1 101 ALA H 5.500 . 6.330 4.068 3.094 4.738 . 0 0 "[ . 1 . 2]" 1
401 1 78 THR HA 1 100 ALA H 5.500 . 6.330 6.107 5.758 6.390 0.060 3 0 "[ . 1 . 2]" 1
402 1 81 TYR H 1 103 GLU H 4.000 . 4.600 4.182 3.857 4.558 . 0 0 "[ . 1 . 2]" 1
403 1 79 VAL H 1 101 ALA MB 5.500 . 6.330 4.118 3.874 4.479 . 0 0 "[ . 1 . 2]" 1
404 1 79 VAL H 1 101 ALA H 5.500 . 6.330 4.312 3.783 4.764 . 0 0 "[ . 1 . 2]" 1
405 1 81 TYR H 1 103 GLU QB 5.500 . 6.330 4.644 4.162 5.457 . 0 0 "[ . 1 . 2]" 1
406 1 80 TYR HA 1 103 GLU H 3.500 . 4.030 3.138 2.517 3.928 . 0 0 "[ . 1 . 2]" 1
407 1 81 TYR QE 1 103 GLU H 5.500 . 6.330 3.376 2.458 3.938 . 0 0 "[ . 1 . 2]" 1
408 1 79 VAL H 1 102 VAL MG1 5.500 . 6.330 3.823 3.138 4.280 . 0 0 "[ . 1 . 2]" 1
409 1 79 VAL H 1 102 VAL HA 3.000 . 3.450 2.913 2.181 3.431 . 0 0 "[ . 1 . 2]" 1
410 1 81 TYR H 1 104 LEU HA 3.500 . 4.030 3.145 2.397 3.639 . 0 0 "[ . 1 . 2]" 1
411 1 79 VAL QG 1 102 VAL H 5.500 . 6.330 4.720 4.000 5.239 . 0 0 "[ . 1 . 2]" 1
412 1 79 VAL H 1 103 GLU H 4.000 . 4.600 3.905 3.301 4.555 . 0 0 "[ . 1 . 2]" 1
413 1 78 THR MG 1 102 VAL H 5.500 . 6.330 4.495 3.128 5.266 . 0 0 "[ . 1 . 2]" 1
414 1 78 THR HA 1 101 ALA H 3.000 . 3.450 3.222 2.856 3.568 0.118 15 0 "[ . 1 . 2]" 1
415 1 81 TYR QD 1 104 LEU H 5.500 . 6.330 5.318 4.645 5.716 . 0 0 "[ . 1 . 2]" 1
416 1 81 TYR QE 1 104 LEU H 5.500 . 6.330 4.408 3.380 4.950 . 0 0 "[ . 1 . 2]" 1
417 1 81 TYR QD 1 105 ARG H 5.500 . 6.330 4.582 3.856 5.215 . 0 0 "[ . 1 . 2]" 1
418 1 81 TYR QE 1 105 ARG H 5.500 . 6.330 5.146 3.958 5.954 . 0 0 "[ . 1 . 2]" 1
419 1 94 VAL H 1 116 VAL QG 5.500 . 6.330 4.940 4.262 5.411 . 0 0 "[ . 1 . 2]" 1
420 1 92 ASP H 1 116 VAL MG1 5.500 . 6.330 5.103 4.599 5.871 . 0 0 "[ . 1 . 2]" 1
421 1 92 ASP H 1 116 VAL MG2 5.500 . 6.330 5.042 4.577 5.405 . 0 0 "[ . 1 . 2]" 1
422 1 91 ALA H 1 116 VAL MG1 5.500 . 6.330 3.612 2.865 4.169 . 0 0 "[ . 1 . 2]" 1
423 1 91 ALA H 1 116 VAL MG2 5.500 . 6.330 3.220 2.424 4.103 . 0 0 "[ . 1 . 2]" 1
424 1 90 THR H 1 116 VAL MG1 5.500 . 6.330 5.232 4.310 5.919 . 0 0 "[ . 1 . 2]" 1
425 1 90 THR H 1 116 VAL MG2 5.500 . 6.330 4.459 3.626 5.941 . 0 0 "[ . 1 . 2]" 1
426 1 95 GLY HA3 1 100 ALA H 5.500 . 6.330 4.062 3.574 4.923 . 0 0 "[ . 1 . 2]" 1
427 1 89 ALA H 1 116 VAL QG 5.500 . 6.330 5.133 4.683 5.695 . 0 0 "[ . 1 . 2]" 1
428 1 50 ALA H 1 66 VAL MG1 5.500 . 6.330 4.801 3.907 6.359 0.029 4 0 "[ . 1 . 2]" 1
429 1 42 ILE MD 1 73 ASP H 5.500 . 6.330 5.168 4.653 5.923 . 0 0 "[ . 1 . 2]" 1
430 1 81 TYR H 1 88 ARG HA 5.500 . 6.330 5.761 5.203 6.331 0.001 17 0 "[ . 1 . 2]" 1
431 1 42 ILE HB 1 71 LEU H 5.500 . 6.330 4.000 2.849 6.500 0.170 10 0 "[ . 1 . 2]" 1
432 1 42 ILE HB 1 74 VAL H 5.500 . 6.330 6.111 5.189 6.512 0.182 18 0 "[ . 1 . 2]" 1
433 1 56 LEU QD 1 92 ASP H 5.500 . 6.330 5.679 5.216 6.172 . 0 0 "[ . 1 . 2]" 1
434 1 35 ALA H 1 90 THR MG 5.500 . 6.330 4.404 2.261 6.401 0.071 1 0 "[ . 1 . 2]" 1
435 1 91 ALA H 1 94 VAL HB 5.500 . 6.330 5.609 5.062 6.366 0.036 5 0 "[ . 1 . 2]" 1
436 1 112 GLN H 1 117 ILE MD 5.500 . 6.330 5.331 4.367 6.129 . 0 0 "[ . 1 . 2]" 1
437 1 78 THR MG 1 103 GLU H 5.500 . 6.330 3.250 2.353 5.722 . 0 0 "[ . 1 . 2]" 1
438 1 37 VAL H 1 64 THR H 4.200 . 4.830 4.875 4.511 5.011 0.181 3 0 "[ . 1 . 2]" 1
439 1 38 ARG QB 1 64 THR H 5.500 . 6.330 6.221 5.889 6.466 0.136 15 0 "[ . 1 . 2]" 1
440 1 40 TYR H 1 49 ALA MB 5.500 . 6.330 5.358 3.651 6.453 0.123 9 0 "[ . 1 . 2]" 1
441 1 41 ASN H 1 49 ALA MB 5.500 . 6.330 4.762 3.057 6.208 . 0 0 "[ . 1 . 2]" 1
442 1 73 ASP QB 1 109 LEU H 5.500 . 6.330 5.470 3.706 6.590 0.260 5 0 "[ . 1 . 2]" 1
443 1 73 ASP QB 1 110 SER H 5.500 . 6.330 5.322 3.641 6.338 0.008 2 0 "[ . 1 . 2]" 1
444 1 73 ASP QB 1 112 GLN H 5.500 . 6.330 5.480 4.378 6.444 0.114 13 0 "[ . 1 . 2]" 1
445 1 81 TYR QD 1 88 ARG H 5.500 . 6.330 4.254 3.508 5.036 . 0 0 "[ . 1 . 2]" 1
446 1 42 ILE H 1 69 LEU H 5.500 . 6.330 4.794 4.528 5.142 . 0 0 "[ . 1 . 2]" 1
447 1 37 VAL HB 1 62 THR H 5.500 . 6.330 5.976 4.423 6.563 0.233 5 0 "[ . 1 . 2]" 1
448 1 81 TYR QB 1 89 ALA H 5.500 . 6.330 5.284 4.843 5.681 . 0 0 "[ . 1 . 2]" 1
449 1 107 PRO HA 1 108 GLU H 5.500 . 6.330 3.486 3.385 3.577 . 0 0 "[ . 1 . 2]" 1
450 1 37 VAL MG1 1 116 VAL H 5.500 . 6.330 4.860 4.507 5.594 . 0 0 "[ . 1 . 2]" 1
451 1 52 THR H 1 97 THR HB 5.500 . 6.330 5.959 5.150 6.380 0.050 18 0 "[ . 1 . 2]" 1
452 1 56 LEU QD 1 94 VAL QG 5.500 . 6.330 1.884 1.758 2.036 0.042 8 0 "[ . 1 . 2]" 1
453 1 93 ALA MB 1 94 VAL QG 5.500 . 6.330 2.979 2.666 3.250 . 0 0 "[ . 1 . 2]" 1
454 1 90 THR MG 1 94 VAL QG 5.500 . 6.330 4.180 2.979 5.363 . 0 0 "[ . 1 . 2]" 1
455 1 94 VAL QG 1 97 THR MG 5.500 . 6.330 4.223 3.347 4.887 . 0 0 "[ . 1 . 2]" 1
456 1 94 VAL QG 1 98 LEU QD 5.500 . 6.330 3.111 2.095 4.391 . 0 0 "[ . 1 . 2]" 1
457 1 79 VAL QG 1 94 VAL QG 5.500 . 6.330 2.650 2.070 3.335 . 0 0 "[ . 1 . 2]" 1
458 1 78 THR MG 1 101 ALA MB 5.500 . 6.330 2.646 1.804 3.582 . 0 0 "[ . 1 . 2]" 1
459 1 78 THR MG 1 103 GLU QG 5.500 . 6.330 2.802 1.735 5.121 0.065 13 0 "[ . 1 . 2]" 1
460 1 81 TYR HA 1 87 GLU QG 5.500 . 6.330 5.179 3.246 6.450 0.120 6 0 "[ . 1 . 2]" 1
461 1 81 TYR HA 1 91 ALA MB 5.500 . 6.330 3.740 2.994 4.503 . 0 0 "[ . 1 . 2]" 1
462 1 81 TYR HA 1 116 VAL QG 5.500 . 6.330 2.523 1.875 3.440 . 0 0 "[ . 1 . 2]" 1
463 1 94 VAL HA 1 97 THR HB 3.000 . 3.450 2.838 2.022 3.500 0.050 19 0 "[ . 1 . 2]" 1
464 1 94 VAL HA 1 94 VAL HB 3.000 . 3.450 3.052 3.042 3.062 . 0 0 "[ . 1 . 2]" 1
465 1 79 VAL QG 1 94 VAL HA 5.500 . 6.330 4.636 4.005 5.272 . 0 0 "[ . 1 . 2]" 1
466 1 39 VAL MG1 1 120 VAL H 5.500 . 6.330 4.132 3.811 4.479 . 0 0 "[ . 1 . 2]" 1
467 1 38 ARG H 1 117 ILE HB 5.500 . 6.330 5.536 4.465 6.325 . 0 0 "[ . 1 . 2]" 1
468 1 40 TYR H 1 119 VAL MG2 5.500 . 6.330 4.206 3.265 5.516 . 0 0 "[ . 1 . 2]" 1
469 1 37 VAL HA 1 116 VAL H 5.500 . 6.330 3.410 3.018 4.030 . 0 0 "[ . 1 . 2]" 1
470 1 37 VAL HB 1 116 VAL H 6.000 . 6.900 6.280 5.965 6.946 0.046 17 0 "[ . 1 . 2]" 1
471 1 39 VAL MG2 1 118 VAL H 5.500 . 6.330 3.791 3.335 4.221 . 0 0 "[ . 1 . 2]" 1
472 1 42 ILE H 1 121 THR HA 5.500 . 6.330 3.554 2.786 3.920 . 0 0 "[ . 1 . 2]" 1
473 1 38 ARG H 1 116 VAL H 5.500 . 6.330 4.600 4.101 4.991 . 0 0 "[ . 1 . 2]" 1
474 1 42 ILE H 1 120 VAL MG1 5.500 . 6.330 4.785 4.409 5.129 . 0 0 "[ . 1 . 2]" 1
475 1 43 SER H 1 121 THR HA 5.000 . 5.750 3.198 2.280 4.613 . 0 0 "[ . 1 . 2]" 1
476 1 38 ARG H 1 91 ALA MB 5.500 . 6.330 6.313 5.880 6.591 0.261 13 0 "[ . 1 . 2]" 1
477 1 77 THR H 1 121 THR HA 5.500 . 6.330 5.624 4.657 6.217 . 0 0 "[ . 1 . 2]" 1
478 1 78 THR H 1 119 VAL MG2 5.500 . 6.330 4.106 2.011 4.988 . 0 0 "[ . 1 . 2]" 1
479 1 79 VAL MG2 1 119 VAL H 5.500 . 6.330 4.008 3.596 4.570 . 0 0 "[ . 1 . 2]" 1
480 1 80 TYR H 1 117 ILE MD 5.500 . 6.330 4.357 3.006 5.026 . 0 0 "[ . 1 . 2]" 1
481 1 80 TYR H 1 117 ILE HA 5.500 . 6.330 5.049 4.880 5.322 . 0 0 "[ . 1 . 2]" 1
482 1 80 TYR H 1 116 VAL MG2 5.500 . 6.330 5.495 3.767 5.949 . 0 0 "[ . 1 . 2]" 1
483 1 81 TYR H 1 116 VAL QG 5.500 . 6.330 4.338 3.790 4.980 . 0 0 "[ . 1 . 2]" 1
484 1 82 THR H 1 116 VAL MG2 5.500 . 6.330 3.461 2.253 4.664 . 0 0 "[ . 1 . 2]" 1
485 1 42 ILE MD 1 74 VAL H 5.500 . 6.330 4.204 3.567 4.726 . 0 0 "[ . 1 . 2]" 1
486 1 37 VAL HB 1 64 THR H 5.500 . 6.330 5.451 4.867 6.224 . 0 0 "[ . 1 . 2]" 1
487 1 40 TYR HA 1 67 GLY H 5.500 . 6.330 2.953 2.482 3.593 . 0 0 "[ . 1 . 2]" 1
488 1 37 VAL H 1 64 THR MG 5.500 . 6.330 3.965 2.863 5.434 . 0 0 "[ . 1 . 2]" 1
489 1 41 ASN H 1 68 ASN QB 5.500 . 6.330 3.580 2.787 4.405 . 0 0 "[ . 1 . 2]" 1
490 1 91 ALA MB 1 117 ILE H 5.500 . 6.330 4.938 4.234 5.471 . 0 0 "[ . 1 . 2]" 1
491 1 91 ALA MB 1 116 VAL H 5.500 . 6.330 5.305 4.682 5.968 . 0 0 "[ . 1 . 2]" 1
492 1 79 VAL H 1 101 ALA HA 5.500 . 6.330 5.060 4.915 5.210 . 0 0 "[ . 1 . 2]" 1
493 1 79 VAL H 1 100 ALA MB 5.500 . 6.330 3.398 2.958 4.188 . 0 0 "[ . 1 . 2]" 1
494 1 79 VAL MG2 1 100 ALA H 5.500 . 6.330 3.984 3.686 4.660 . 0 0 "[ . 1 . 2]" 1
495 1 79 VAL MG1 1 96 ARG H 5.500 . 6.330 5.316 4.557 5.895 . 0 0 "[ . 1 . 2]" 1
496 1 79 VAL MG2 1 96 ARG H 5.500 . 6.330 4.610 4.154 4.771 . 0 0 "[ . 1 . 2]" 1
497 1 79 VAL MG1 1 95 GLY H 5.500 . 6.330 3.158 2.668 3.780 . 0 0 "[ . 1 . 2]" 1
498 1 79 VAL MG2 1 95 GLY H 5.500 . 6.330 3.085 2.554 3.519 . 0 0 "[ . 1 . 2]" 1
499 1 39 VAL MG2 1 54 ASP H 5.500 . 6.330 4.709 3.978 5.435 . 0 0 "[ . 1 . 2]" 1
500 1 39 VAL MG2 1 53 ALA H 5.500 . 6.330 2.937 2.429 3.963 . 0 0 "[ . 1 . 2]" 1
501 1 39 VAL MG1 1 53 ALA H 5.500 . 6.330 4.302 3.384 5.178 . 0 0 "[ . 1 . 2]" 1
502 1 39 VAL MG2 1 52 THR H 5.500 . 6.330 4.337 3.738 5.668 . 0 0 "[ . 1 . 2]" 1
503 1 81 TYR QB 1 92 ASP H 5.500 . 6.330 5.000 4.221 5.739 . 0 0 "[ . 1 . 2]" 1
504 1 81 TYR QB 1 91 ALA H 5.500 . 6.330 4.042 3.296 4.650 . 0 0 "[ . 1 . 2]" 1
505 1 56 LEU MD2 1 62 THR H 5.500 . 6.330 5.604 4.739 5.971 . 0 0 "[ . 1 . 2]" 1
506 1 82 THR H 1 88 ARG HA 5.500 . 6.330 5.277 4.030 5.997 . 0 0 "[ . 1 . 2]" 1
507 1 82 THR H 1 88 ARG QB 5.500 . 6.330 5.484 4.550 6.339 0.009 19 0 "[ . 1 . 2]" 1
508 1 56 LEU HA 1 61 PHE H 5.500 . 6.330 4.745 3.939 6.035 . 0 0 "[ . 1 . 2]" 1
509 1 56 LEU HG 1 61 PHE H 5.500 . 6.330 5.180 3.872 6.370 0.040 13 0 "[ . 1 . 2]" 1
510 1 95 GLY H 1 100 ALA MB 5.500 . 6.330 5.427 4.833 6.003 . 0 0 "[ . 1 . 2]" 1
511 1 95 GLY HA2 1 100 ALA H 5.500 . 6.330 3.255 2.696 3.765 . 0 0 "[ . 1 . 2]" 1
512 1 57 LYS HA 1 61 PHE H 5.500 . 6.330 3.179 2.048 4.362 . 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 37
_Distance_constraint_stats_list.Viol_count 225
_Distance_constraint_stats_list.Viol_total 168.722
_Distance_constraint_stats_list.Viol_max 0.172
_Distance_constraint_stats_list.Viol_rms 0.0254
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0114
_Distance_constraint_stats_list.Viol_average_violations_only 0.0375
_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 37 VAL 1.127 0.157 11 0 "[ . 1 . 2]"
1 38 ARG 0.402 0.048 19 0 "[ . 1 . 2]"
1 39 VAL 0.877 0.118 11 0 "[ . 1 . 2]"
1 40 TYR 0.293 0.034 1 0 "[ . 1 . 2]"
1 41 ASN 1.610 0.101 3 0 "[ . 1 . 2]"
1 42 ILE 0.426 0.076 4 0 "[ . 1 . 2]"
1 63 VAL 0.199 0.040 8 0 "[ . 1 . 2]"
1 65 ASP 1.028 0.157 11 0 "[ . 1 . 2]"
1 67 GLY 1.405 0.118 11 0 "[ . 1 . 2]"
1 69 LEU 0.983 0.101 3 0 "[ . 1 . 2]"
1 78 THR 0.590 0.068 18 0 "[ . 1 . 2]"
1 79 VAL 0.129 0.055 1 0 "[ . 1 . 2]"
1 80 TYR 1.035 0.172 6 0 "[ . 1 . 2]"
1 81 TYR 1.948 0.160 16 0 "[ . 1 . 2]"
1 101 ALA 0.108 0.055 1 0 "[ . 1 . 2]"
1 103 GLU 1.556 0.160 16 0 "[ . 1 . 2]"
1 105 ARG 0.413 0.094 5 0 "[ . 1 . 2]"
1 116 VAL 0.277 0.044 17 0 "[ . 1 . 2]"
1 117 ILE 1.035 0.172 6 0 "[ . 1 . 2]"
1 118 VAL 0.225 0.048 19 0 "[ . 1 . 2]"
1 119 VAL 0.590 0.068 18 0 "[ . 1 . 2]"
1 120 VAL 0.618 0.076 4 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 38 ARG H 1 116 VAL O 2.000 . 2.100 2.066 1.957 2.144 0.044 17 0 "[ . 1 . 2]" 2
2 1 38 ARG N 1 116 VAL O 3.000 2.850 3.150 2.914 2.811 3.026 0.039 17 0 "[ . 1 . 2]" 2
3 1 38 ARG O 1 118 VAL H 2.000 . 2.100 2.049 1.933 2.148 0.048 19 0 "[ . 1 . 2]" 2
4 1 38 ARG O 1 118 VAL N 3.000 2.850 3.150 2.959 2.820 3.122 0.030 9 0 "[ . 1 . 2]" 2
5 1 40 TYR H 1 118 VAL O 2.000 . 2.100 2.042 1.940 2.119 0.019 18 0 "[ . 1 . 2]" 2
6 1 40 TYR N 1 118 VAL O 3.000 2.850 3.150 2.917 2.816 3.024 0.034 1 0 "[ . 1 . 2]" 2
7 1 40 TYR O 1 120 VAL H 2.000 . 2.100 2.080 1.977 2.132 0.032 20 0 "[ . 1 . 2]" 2
8 1 40 TYR O 1 120 VAL N 3.000 2.850 3.150 3.011 2.910 3.065 . 0 0 "[ . 1 . 2]" 2
9 1 42 ILE H 1 120 VAL O 2.000 . 2.100 2.109 2.006 2.176 0.076 4 0 "[ . 1 . 2]" 2
10 1 42 ILE N 1 120 VAL O 3.000 2.850 3.150 3.013 2.878 3.123 . 0 0 "[ . 1 . 2]" 2
11 1 41 ASN H 1 67 GLY O 2.000 . 2.100 2.117 1.966 2.182 0.082 12 0 "[ . 1 . 2]" 2
12 1 41 ASN N 1 67 GLY O 3.000 2.850 3.150 3.028 2.897 3.110 . 0 0 "[ . 1 . 2]" 2
13 1 41 ASN O 1 69 LEU H 2.000 . 2.100 2.145 2.063 2.201 0.101 3 0 "[ . 1 . 2]" 2
14 1 41 ASN O 1 69 LEU N 3.000 2.850 3.150 2.958 2.832 3.044 0.018 4 0 "[ . 1 . 2]" 2
15 1 39 VAL H 1 65 ASP O 2.000 . 2.100 2.032 1.937 2.125 0.025 9 0 "[ . 1 . 2]" 2
16 1 39 VAL N 1 65 ASP O 3.000 2.850 3.150 2.902 2.828 3.015 0.022 17 0 "[ . 1 . 2]" 2
17 1 39 VAL O 1 67 GLY H 2.000 . 2.100 2.113 1.965 2.218 0.118 11 0 "[ . 1 . 2]" 2
18 1 39 VAL O 1 67 GLY N 3.000 2.850 3.150 2.987 2.781 3.126 0.069 2 0 "[ . 1 . 2]" 2
19 1 37 VAL H 1 63 VAL O 2.000 . 2.100 2.024 1.930 2.140 0.040 8 0 "[ . 1 . 2]" 2
20 1 37 VAL N 1 63 VAL O 3.000 2.850 3.150 2.921 2.820 3.075 0.030 10 0 "[ . 1 . 2]" 2
21 1 37 VAL O 1 65 ASP H 2.000 . 2.100 2.133 1.983 2.257 0.157 11 0 "[ . 1 . 2]" 2
22 1 37 VAL O 1 65 ASP N 3.000 2.850 3.150 3.047 2.933 3.164 0.014 11 0 "[ . 1 . 2]" 2
23 1 79 VAL H 1 101 ALA O 2.000 . 2.100 2.035 1.908 2.155 0.055 1 0 "[ . 1 . 2]" 2
24 1 79 VAL N 1 101 ALA O 3.000 2.850 3.150 2.960 2.837 3.063 0.013 17 0 "[ . 1 . 2]" 2
25 1 79 VAL O 1 103 GLU H 2.000 . 2.100 1.998 1.919 2.118 0.018 3 0 "[ . 1 . 2]" 2
26 1 79 VAL O 1 103 GLU N 3.000 2.850 3.150 2.910 2.848 3.005 0.002 15 0 "[ . 1 . 2]" 2
27 1 81 TYR H 1 103 GLU O 2.000 . 2.100 2.173 2.088 2.260 0.160 16 0 "[ . 1 . 2]" 2
28 1 81 TYR N 1 103 GLU O 3.000 2.850 3.150 3.061 2.928 3.179 0.029 16 0 "[ . 1 . 2]" 2
29 1 81 TYR O 1 105 ARG N 3.000 2.850 3.150 2.926 2.756 3.191 0.094 5 0 "[ . 1 . 2]" 2
30 1 80 TYR O 1 117 ILE H 2.000 . 2.100 2.142 2.031 2.272 0.172 6 0 "[ . 1 . 2]" 2
31 1 80 TYR O 1 117 ILE N 3.000 2.850 3.150 2.977 2.845 3.158 0.008 6 0 "[ . 1 . 2]" 2
32 1 80 TYR H 1 117 ILE O 2.000 . 2.100 1.993 1.911 2.121 0.021 10 0 "[ . 1 . 2]" 2
33 1 80 TYR N 1 117 ILE O 3.000 2.850 3.150 2.904 2.839 3.047 0.011 7 0 "[ . 1 . 2]" 2
34 1 78 THR H 1 119 VAL O 2.000 . 2.100 2.070 1.931 2.168 0.068 18 0 "[ . 1 . 2]" 2
35 1 78 THR N 1 119 VAL O 3.000 2.850 3.150 2.908 2.835 3.002 0.015 14 0 "[ . 1 . 2]" 2
36 1 78 THR O 1 119 VAL H 2.000 . 2.100 2.092 1.951 2.160 0.060 7 0 "[ . 1 . 2]" 2
37 1 78 THR O 1 119 VAL N 3.000 2.850 3.150 2.967 2.854 3.054 . 0 0 "[ . 1 . 2]" 2
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