NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
387448 |
1maj   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1maj
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 914
_Distance_constraint_stats_list.Viol_count 607
_Distance_constraint_stats_list.Viol_total 495.040
_Distance_constraint_stats_list.Viol_max 0.347
_Distance_constraint_stats_list.Viol_rms 0.0177
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0544
_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 ASP 3.880 0.317 4 0 "[ . 1 .]"
1 2 VAL 4.190 0.317 4 0 "[ . 1 .]"
1 3 VAL 0.099 0.042 8 0 "[ . 1 .]"
1 4 MET 0.917 0.344 12 0 "[ . 1 .]"
1 5 THR 0.981 0.344 12 0 "[ . 1 .]"
1 6 GLN 0.357 0.082 3 0 "[ . 1 .]"
1 7 THR 0.075 0.032 14 0 "[ . 1 .]"
1 8 PRO 0.425 0.045 9 0 "[ . 1 .]"
1 9 LEU 0.502 0.046 14 0 "[ . 1 .]"
1 10 SER 0.225 0.053 1 0 "[ . 1 .]"
1 11 LEU 0.493 0.056 4 0 "[ . 1 .]"
1 12 PRO 0.433 0.064 8 0 "[ . 1 .]"
1 13 VAL 0.275 0.064 8 0 "[ . 1 .]"
1 14 SER 0.000 0.000 . 0 "[ . 1 .]"
1 15 LEU 1.902 0.153 11 0 "[ . 1 .]"
1 16 GLY 1.635 0.122 9 0 "[ . 1 .]"
1 17 ASP 0.464 0.179 3 0 "[ . 1 .]"
1 18 GLN 0.650 0.179 3 0 "[ . 1 .]"
1 19 ALA 0.121 0.045 11 0 "[ . 1 .]"
1 20 SER 0.098 0.056 12 0 "[ . 1 .]"
1 21 ILE 1.461 0.170 6 0 "[ . 1 .]"
1 22 SER 1.382 0.170 6 0 "[ . 1 .]"
1 23 CYS 0.082 0.050 9 0 "[ . 1 .]"
1 24 ARG 0.199 0.038 6 0 "[ . 1 .]"
1 25 SER 0.024 0.024 2 0 "[ . 1 .]"
1 26 SER 0.099 0.042 8 0 "[ . 1 .]"
1 27 GLN 0.161 0.137 14 0 "[ . 1 .]"
1 28 SER 0.000 0.000 . 0 "[ . 1 .]"
1 29 LEU 1.003 0.127 13 0 "[ . 1 .]"
1 30 VAL 0.266 0.070 7 0 "[ . 1 .]"
1 31 HIS 0.199 0.026 2 0 "[ . 1 .]"
1 32 SER 0.092 0.092 15 0 "[ . 1 .]"
1 33 ASN 0.125 0.092 15 0 "[ . 1 .]"
1 34 GLY 0.009 0.004 1 0 "[ . 1 .]"
1 35 ASN 0.147 0.058 8 0 "[ . 1 .]"
1 36 THR 0.086 0.058 8 0 "[ . 1 .]"
1 37 TYR 0.179 0.138 6 0 "[ . 1 .]"
1 38 LEU 0.314 0.173 13 0 "[ . 1 .]"
1 39 ASN 0.169 0.169 14 0 "[ . 1 .]"
1 40 TRP 1.604 0.173 13 0 "[ . 1 .]"
1 41 TYR 0.754 0.118 5 0 "[ . 1 .]"
1 42 LEU 0.146 0.036 9 0 "[ . 1 .]"
1 43 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 44 LYS 0.622 0.085 4 0 "[ . 1 .]"
1 45 ALA 0.063 0.032 7 0 "[ . 1 .]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 47 GLN 1.359 0.166 4 0 "[ . 1 .]"
1 48 SER 0.390 0.102 13 0 "[ . 1 .]"
1 49 PRO 0.083 0.083 9 0 "[ . 1 .]"
1 50 LYS 0.241 0.083 9 0 "[ . 1 .]"
1 51 LEU 0.618 0.169 14 0 "[ . 1 .]"
1 52 LEU 1.031 0.159 7 0 "[ . 1 .]"
1 53 ILE 3.077 0.233 5 0 "[ . 1 .]"
1 54 TYR 0.864 0.170 8 0 "[ . 1 .]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 56 VAL 0.037 0.037 8 0 "[ . 1 .]"
1 57 SER 0.541 0.233 5 0 "[ . 1 .]"
1 58 ASN 0.314 0.129 4 0 "[ . 1 .]"
1 59 ARG 0.592 0.100 15 0 "[ . 1 .]"
1 60 PHE 0.012 0.012 8 0 "[ . 1 .]"
1 61 SER 0.000 0.000 . 0 "[ . 1 .]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 63 VAL 0.074 0.061 13 0 "[ . 1 .]"
1 64 PRO 0.574 0.123 11 0 "[ . 1 .]"
1 65 ASP 0.574 0.123 11 0 "[ . 1 .]"
1 66 ARG 0.016 0.016 12 0 "[ . 1 .]"
1 67 PHE 0.384 0.072 9 0 "[ . 1 .]"
1 68 SER 0.059 0.023 7 0 "[ . 1 .]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 70 SER 0.000 0.000 . 0 "[ . 1 .]"
1 71 GLY 0.046 0.037 8 0 "[ . 1 .]"
1 72 SER 0.198 0.084 14 0 "[ . 1 .]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 74 THR 1.675 0.183 3 0 "[ . 1 .]"
1 75 ASP 1.147 0.183 3 0 "[ . 1 .]"
1 76 PHE 0.232 0.084 14 0 "[ . 1 .]"
1 77 THR 0.332 0.078 8 0 "[ . 1 .]"
1 78 LEU 0.816 0.072 9 0 "[ . 1 .]"
1 79 LYS 0.617 0.200 1 0 "[ . 1 .]"
1 80 ILE 4.622 0.347 11 0 "[ . 1 .]"
1 81 SER 4.587 0.347 11 0 "[ . 1 .]"
1 82 ARG 0.687 0.133 1 0 "[ . 1 .]"
1 83 VAL 0.508 0.133 1 0 "[ . 1 .]"
1 84 GLU 0.060 0.030 14 0 "[ . 1 .]"
1 85 ALA 0.029 0.014 7 0 "[ . 1 .]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 87 ASP 0.120 0.030 14 0 "[ . 1 .]"
1 88 LEU 0.495 0.069 4 0 "[ . 1 .]"
1 89 GLY 0.345 0.069 4 0 "[ . 1 .]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 91 TYR 0.113 0.035 11 0 "[ . 1 .]"
1 92 PHE 0.269 0.086 4 0 "[ . 1 .]"
1 93 CYS 0.226 0.086 4 0 "[ . 1 .]"
1 94 SER 0.264 0.092 12 0 "[ . 1 .]"
1 95 GLN 0.329 0.071 13 0 "[ . 1 .]"
1 96 THR 0.000 0.000 . 0 "[ . 1 .]"
1 97 THR 0.567 0.138 6 0 "[ . 1 .]"
1 98 HIS 0.241 0.049 11 0 "[ . 1 .]"
1 99 VAL 0.124 0.096 12 0 "[ . 1 .]"
1 101 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 102 THR 0.625 0.110 7 0 "[ . 1 .]"
1 103 PHE 0.458 0.110 7 0 "[ . 1 .]"
1 104 GLY 0.028 0.028 8 0 "[ . 1 .]"
1 105 GLY 0.213 0.082 3 0 "[ . 1 .]"
1 106 GLY 0.197 0.072 14 0 "[ . 1 .]"
1 107 THR 0.217 0.046 14 0 "[ . 1 .]"
1 108 LYS 0.337 0.053 1 0 "[ . 1 .]"
1 109 LEU 0.950 0.166 3 0 "[ . 1 .]"
1 110 GLU 0.420 0.058 12 0 "[ . 1 .]"
1 111 ILE 1.043 0.175 15 0 "[ . 1 .]"
1 112 LYS 0.360 0.098 13 0 "[ . 1 .]"
1 113 ARG 0.203 0.175 15 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 37 TYR HA 1 37 TYR QD 1.800 . 4.490 2.665 1.862 3.073 . 0 0 "[ . 1 .]" 1
2 1 37 TYR HA 1 37 TYR QE 1.800 . 5.612 4.544 4.213 4.754 . 0 0 "[ . 1 .]" 1
3 1 54 TYR HA 1 54 TYR QD 1.800 . 4.490 3.721 3.682 3.748 . 0 0 "[ . 1 .]" 1
4 1 67 PHE HA 1 67 PHE QD 1.800 . 5.612 2.940 2.709 3.079 . 0 0 "[ . 1 .]" 1
5 1 91 TYR HA 1 91 TYR QD 1.800 . 4.490 2.857 2.472 2.982 . 0 0 "[ . 1 .]" 1
6 1 98 HIS QB 1 98 HIS HD2 1.800 . 3.367 2.801 2.721 2.926 . 0 0 "[ . 1 .]" 1
7 1 2 VAL H 1 2 VAL MG2 1.800 . 3.603 2.379 1.920 2.933 . 0 0 "[ . 1 .]" 1
8 1 3 VAL H 1 3 VAL HB 1.800 . 3.000 2.567 2.461 2.658 . 0 0 "[ . 1 .]" 1
9 1 3 VAL H 1 3 VAL QG 1.800 . 4.044 2.041 1.913 2.172 . 0 0 "[ . 1 .]" 1
10 1 4 MET H 1 4 MET HB3 1.800 . 4.000 3.703 3.578 3.820 . 0 0 "[ . 1 .]" 1
11 1 4 MET H 1 4 MET QG 1.800 . 4.490 3.154 2.881 3.543 . 0 0 "[ . 1 .]" 1
12 1 5 THR H 1 5 THR HB 1.800 . 3.000 2.657 2.350 3.023 0.023 8 0 "[ . 1 .]" 1
13 1 5 THR H 1 5 THR MG 1.800 . 4.804 3.797 3.696 4.035 . 0 0 "[ . 1 .]" 1
14 1 6 GLN H 1 6 GLN QG 1.800 . 4.490 3.708 1.829 4.075 . 0 0 "[ . 1 .]" 1
15 1 7 THR H 1 7 THR HB 1.800 . 4.000 3.657 3.540 3.825 . 0 0 "[ . 1 .]" 1
16 1 7 THR H 1 7 THR MG 1.800 . 4.804 3.767 3.536 3.894 . 0 0 "[ . 1 .]" 1
17 1 9 LEU H 1 9 LEU QD 1.800 . 4.044 2.450 2.062 3.009 . 0 0 "[ . 1 .]" 1
18 1 11 LEU H 1 11 LEU HB3 1.800 . 3.000 2.965 2.715 3.056 0.056 4 0 "[ . 1 .]" 1
19 1 11 LEU H 1 11 LEU HB2 1.800 . 3.000 2.862 2.655 3.011 0.011 11 0 "[ . 1 .]" 1
20 1 13 VAL H 1 13 VAL MG1 1.800 . 3.603 2.843 2.537 3.011 . 0 0 "[ . 1 .]" 1
21 1 13 VAL H 1 13 VAL MG2 1.800 . 3.603 2.082 1.858 2.229 . 0 0 "[ . 1 .]" 1
22 1 17 ASP H 1 17 ASP QB 1.800 . 3.367 2.330 2.107 2.555 . 0 0 "[ . 1 .]" 1
23 1 18 GLN H 1 18 GLN QB 1.800 . 3.367 2.470 2.188 3.044 . 0 0 "[ . 1 .]" 1
24 1 18 GLN H 1 18 GLN QG 1.800 . 4.490 2.892 2.427 3.986 . 0 0 "[ . 1 .]" 1
25 1 21 ILE H 1 21 ILE QG 1.800 . 4.490 2.370 1.793 2.825 0.007 12 0 "[ . 1 .]" 1
26 1 27 GLN H 1 27 GLN HB3 1.800 . 4.000 3.018 2.655 3.298 . 0 0 "[ . 1 .]" 1
27 1 27 GLN H 1 27 GLN HB2 1.800 . 4.000 2.760 2.372 3.449 . 0 0 "[ . 1 .]" 1
28 1 27 GLN H 1 27 GLN QG 1.800 . 4.490 4.083 3.935 4.125 . 0 0 "[ . 1 .]" 1
29 1 29 LEU H 1 29 LEU HB2 1.800 . 3.000 2.634 2.442 2.846 . 0 0 "[ . 1 .]" 1
30 1 29 LEU H 1 29 LEU HG 1.800 . 3.000 2.553 2.237 2.897 . 0 0 "[ . 1 .]" 1
31 1 30 VAL H 1 30 VAL HB 1.800 . 2.500 2.490 2.400 2.570 0.070 7 0 "[ . 1 .]" 1
32 1 30 VAL H 1 30 VAL MG2 1.800 . 3.603 2.356 2.066 2.589 . 0 0 "[ . 1 .]" 1
33 1 31 HIS H 1 31 HIS HB3 1.800 . 4.000 2.805 2.636 2.946 . 0 0 "[ . 1 .]" 1
34 1 31 HIS H 1 31 HIS HB2 1.800 . 4.000 2.325 2.185 2.471 . 0 0 "[ . 1 .]" 1
35 1 32 SER H 1 32 SER QB 1.800 . 3.367 2.425 2.098 2.764 . 0 0 "[ . 1 .]" 1
36 1 35 ASN H 1 35 ASN HB3 1.800 . 4.000 3.690 3.509 3.913 . 0 0 "[ . 1 .]" 1
37 1 35 ASN H 1 35 ASN HB2 1.800 . 4.000 2.574 2.282 2.841 . 0 0 "[ . 1 .]" 1
38 1 36 THR H 1 36 THR HB 1.800 . 3.000 2.666 2.385 2.986 . 0 0 "[ . 1 .]" 1
39 1 37 TYR H 1 37 TYR HB2 1.800 . 3.000 2.610 2.248 2.787 . 0 0 "[ . 1 .]" 1
40 1 38 LEU H 1 38 LEU QB 1.800 . 3.367 2.654 2.240 2.965 . 0 0 "[ . 1 .]" 1
41 1 40 TRP HB2 1 40 TRP HE1 1.800 . 5.000 4.731 4.713 4.763 . 0 0 "[ . 1 .]" 1
42 1 40 TRP H 1 40 TRP HB3 1.800 . 4.000 3.600 3.514 3.748 . 0 0 "[ . 1 .]" 1
43 1 40 TRP H 1 40 TRP HB2 1.800 . 4.000 2.360 2.203 2.599 . 0 0 "[ . 1 .]" 1
44 1 42 LEU H 1 42 LEU HB3 1.800 . 3.000 2.684 2.359 2.909 . 0 0 "[ . 1 .]" 1
45 1 44 LYS H 1 44 LYS HB3 1.800 . 3.000 2.958 2.573 3.081 0.081 14 0 "[ . 1 .]" 1
46 1 45 ALA H 1 45 ALA MB 1.800 . 3.002 2.223 2.191 2.246 . 0 0 "[ . 1 .]" 1
47 1 47 GLN HB2 1 47 GLN QE 1.800 . 5.612 3.088 2.151 3.988 . 0 0 "[ . 1 .]" 1
48 1 47 GLN H 1 47 GLN HB3 1.800 . 3.000 2.940 2.347 3.166 0.166 4 0 "[ . 1 .]" 1
49 1 47 GLN H 1 47 GLN HB2 1.800 . 3.000 2.823 2.496 3.029 0.029 8 0 "[ . 1 .]" 1
50 1 50 LYS H 1 50 LYS QB 1.800 . 3.367 2.585 2.170 3.123 . 0 0 "[ . 1 .]" 1
51 1 51 LEU H 1 51 LEU HB3 1.800 . 3.000 2.476 2.233 3.044 0.044 13 0 "[ . 1 .]" 1
52 1 53 ILE H 1 53 ILE HB 1.800 . 3.000 2.495 2.223 2.720 . 0 0 "[ . 1 .]" 1
53 1 53 ILE H 1 53 ILE QG 1.800 . 3.367 2.694 2.095 3.274 . 0 0 "[ . 1 .]" 1
54 1 60 PHE H 1 60 PHE HB3 1.800 . 3.000 2.606 2.363 2.868 . 0 0 "[ . 1 .]" 1
55 1 60 PHE H 1 60 PHE HB2 1.800 . 3.000 2.515 2.335 2.814 . 0 0 "[ . 1 .]" 1
56 1 61 SER H 1 61 SER QB 1.800 . 3.367 2.404 2.232 2.738 . 0 0 "[ . 1 .]" 1
57 1 63 VAL H 1 63 VAL HB 1.800 . 3.000 2.609 2.409 2.837 . 0 0 "[ . 1 .]" 1
58 1 63 VAL H 1 63 VAL MG2 1.800 . 3.603 2.488 1.847 2.985 . 0 0 "[ . 1 .]" 1
59 1 66 ARG H 1 66 ARG HA 1.800 . 3.000 2.828 2.748 2.917 . 0 0 "[ . 1 .]" 1
60 1 66 ARG H 1 66 ARG QB 1.800 . 3.367 2.440 2.033 2.638 . 0 0 "[ . 1 .]" 1
61 1 66 ARG H 1 66 ARG QD 1.800 . 4.490 3.334 2.426 4.040 . 0 0 "[ . 1 .]" 1
62 1 67 PHE H 1 67 PHE HB2 1.800 . 3.000 2.380 2.193 2.705 . 0 0 "[ . 1 .]" 1
63 1 74 THR H 1 74 THR MG 1.800 . 4.804 2.722 2.328 3.116 . 0 0 "[ . 1 .]" 1
64 1 75 ASP H 1 75 ASP QB 1.800 . 3.367 2.771 2.437 3.032 . 0 0 "[ . 1 .]" 1
65 1 77 THR H 1 77 THR MG 1.800 . 6.005 3.990 3.795 4.046 . 0 0 "[ . 1 .]" 1
66 1 78 LEU H 1 78 LEU HB2 1.800 . 4.000 2.749 2.453 3.029 . 0 0 "[ . 1 .]" 1
67 1 79 LYS H 1 79 LYS QG 1.800 . 5.612 2.677 1.600 4.037 0.200 1 0 "[ . 1 .]" 1
68 1 80 ILE H 1 80 ILE MD 1.800 . 6.005 3.515 2.563 3.929 . 0 0 "[ . 1 .]" 1
69 1 80 ILE H 1 80 ILE QG 1.800 . 3.367 2.597 2.167 2.983 . 0 0 "[ . 1 .]" 1
70 1 80 ILE H 1 80 ILE MG 1.800 . 6.005 3.852 3.777 3.903 . 0 0 "[ . 1 .]" 1
71 1 81 SER H 1 81 SER QB 1.800 . 3.367 2.370 2.187 2.685 . 0 0 "[ . 1 .]" 1
72 1 82 ARG H 1 82 ARG QG 1.800 . 5.612 3.330 2.016 4.116 . 0 0 "[ . 1 .]" 1
73 1 83 VAL H 1 83 VAL HB 1.800 . 2.500 2.464 2.337 2.558 0.058 2 0 "[ . 1 .]" 1
74 1 85 ALA H 1 85 ALA MB 1.800 . 3.002 2.210 2.131 2.237 . 0 0 "[ . 1 .]" 1
75 1 86 GLU H 1 86 GLU QB 1.800 . 3.367 2.408 2.160 2.807 . 0 0 "[ . 1 .]" 1
76 1 86 GLU H 1 86 GLU QG 1.800 . 3.367 2.309 1.883 2.729 . 0 0 "[ . 1 .]" 1
77 1 90 ILE H 1 90 ILE HB 1.800 . 3.000 2.676 2.394 2.979 . 0 0 "[ . 1 .]" 1
78 1 90 ILE H 1 90 ILE MD 1.800 . 4.804 2.867 1.877 3.770 . 0 0 "[ . 1 .]" 1
79 1 90 ILE H 1 90 ILE MG 1.800 . 6.005 3.843 3.670 3.965 . 0 0 "[ . 1 .]" 1
80 1 91 TYR H 1 91 TYR QB 1.800 . 3.367 2.199 2.097 2.493 . 0 0 "[ . 1 .]" 1
81 1 92 PHE H 1 92 PHE HB3 1.800 . 4.000 3.799 3.472 3.970 . 0 0 "[ . 1 .]" 1
82 1 96 THR H 1 96 THR MG 1.800 . 4.804 2.858 1.972 4.013 . 0 0 "[ . 1 .]" 1
83 1 98 HIS H 1 98 HIS HB3 1.800 . 4.000 3.659 3.572 3.815 . 0 0 "[ . 1 .]" 1
84 1 98 HIS H 1 98 HIS HB2 1.800 . 4.000 2.478 2.273 2.706 . 0 0 "[ . 1 .]" 1
85 1 99 VAL H 1 99 VAL HB 1.800 . 3.000 2.703 2.475 3.096 0.096 12 0 "[ . 1 .]" 1
86 1 102 THR H 1 102 THR MG 1.800 . 4.804 2.407 1.840 2.987 . 0 0 "[ . 1 .]" 1
87 1 107 THR H 1 107 THR HB 1.800 . 4.000 2.693 2.434 3.051 . 0 0 "[ . 1 .]" 1
88 1 108 LYS H 1 108 LYS QB 1.800 . 3.367 2.273 2.141 2.737 . 0 0 "[ . 1 .]" 1
89 1 111 ILE H 1 111 ILE QG 1.800 . 4.490 3.427 1.876 4.060 . 0 0 "[ . 1 .]" 1
90 1 112 LYS H 1 112 LYS QB 1.800 . 3.367 2.301 2.050 2.931 . 0 0 "[ . 1 .]" 1
91 1 2 VAL HA 1 2 VAL MG1 1.800 . 3.002 2.389 2.271 2.508 . 0 0 "[ . 1 .]" 1
92 1 2 VAL HA 1 2 VAL MG2 1.800 . 3.002 2.330 2.184 2.535 . 0 0 "[ . 1 .]" 1
93 1 4 MET HA 1 4 MET ME 1.800 . 4.804 3.554 2.330 4.004 . 0 0 "[ . 1 .]" 1
94 1 5 THR HA 1 5 THR MG 1.800 . 3.002 2.301 2.153 2.478 . 0 0 "[ . 1 .]" 1
95 1 6 GLN HA 1 6 GLN QG 1.800 . 3.367 2.312 1.929 3.281 . 0 0 "[ . 1 .]" 1
96 1 9 LEU HA 1 9 LEU QD 1.800 . 3.370 2.264 1.816 2.518 . 0 0 "[ . 1 .]" 1
97 1 11 LEU HA 1 11 LEU HG 1.800 . 4.000 2.447 2.153 2.643 . 0 0 "[ . 1 .]" 1
98 1 11 LEU HA 1 11 LEU MD1 1.800 . 3.370 2.289 2.011 2.783 . 0 0 "[ . 1 .]" 1
99 1 13 VAL HA 1 13 VAL MG1 1.800 . 3.002 2.368 2.289 2.436 . 0 0 "[ . 1 .]" 1
100 1 13 VAL HA 1 13 VAL MG2 1.800 . 4.804 3.214 3.207 3.221 . 0 0 "[ . 1 .]" 1
101 1 15 LEU HA 1 15 LEU HB3 1.800 . 2.500 2.513 2.459 2.653 0.153 11 0 "[ . 1 .]" 1
102 1 15 LEU HA 1 15 LEU MD2 1.800 . 3.600 2.018 1.932 2.145 . 0 0 "[ . 1 .]" 1
103 1 21 ILE HA 1 21 ILE MD 1.800 . 4.804 3.824 3.649 3.981 . 0 0 "[ . 1 .]" 1
104 1 21 ILE HA 1 21 ILE QG 1.800 . 3.367 2.487 2.352 2.655 . 0 0 "[ . 1 .]" 1
105 1 21 ILE HA 1 21 ILE MG 1.800 . 3.603 2.234 2.105 2.404 . 0 0 "[ . 1 .]" 1
106 1 21 ILE HB 1 21 ILE MD 1.800 . 3.002 2.132 2.062 2.253 . 0 0 "[ . 1 .]" 1
107 1 24 ARG HA 1 24 ARG QG 1.800 . 3.367 2.440 2.000 3.215 . 0 0 "[ . 1 .]" 1
108 1 27 GLN HA 1 27 GLN QG 1.800 . 2.806 2.247 2.133 2.550 . 0 0 "[ . 1 .]" 1
109 1 29 LEU HA 1 29 LEU HB3 1.800 . 2.500 2.472 2.411 2.523 0.023 8 0 "[ . 1 .]" 1
110 1 29 LEU HA 1 29 LEU HG 1.800 . 3.000 3.032 2.906 3.127 0.127 13 0 "[ . 1 .]" 1
111 1 30 VAL HA 1 30 VAL MG1 1.800 . 3.002 2.330 2.224 2.408 . 0 0 "[ . 1 .]" 1
112 1 30 VAL HA 1 30 VAL MG2 1.800 . 4.042 2.401 2.243 2.482 . 0 0 "[ . 1 .]" 1
113 1 38 LEU HA 1 38 LEU QD 1.800 . 4.044 2.581 1.788 3.036 0.012 12 0 "[ . 1 .]" 1
114 1 42 LEU HA 1 42 LEU HG 1.800 . 4.000 3.357 3.232 3.446 . 0 0 "[ . 1 .]" 1
115 1 42 LEU HB3 1 42 LEU HG 1.800 . 2.500 2.490 2.432 2.536 0.036 9 0 "[ . 1 .]" 1
116 1 42 LEU HA 1 42 LEU QD 1.800 . 4.044 2.183 2.028 2.395 . 0 0 "[ . 1 .]" 1
117 1 44 LYS HA 1 44 LYS QG 1.800 . 3.367 2.221 2.003 2.660 . 0 0 "[ . 1 .]" 1
118 1 50 LYS HA 1 50 LYS QG 1.800 . 3.367 2.473 2.070 3.267 . 0 0 "[ . 1 .]" 1
119 1 51 LEU HA 1 51 LEU MD1 1.800 . 4.044 2.292 2.016 2.750 . 0 0 "[ . 1 .]" 1
120 1 52 LEU HA 1 52 LEU QD 1.800 . 3.370 2.031 1.799 2.289 0.001 14 0 "[ . 1 .]" 1
121 1 53 ILE HA 1 53 ILE MD 1.800 . 3.603 2.297 1.959 3.030 . 0 0 "[ . 1 .]" 1
122 1 53 ILE HA 1 53 ILE QG 1.800 . 3.367 2.790 2.193 3.036 . 0 0 "[ . 1 .]" 1
123 1 53 ILE HA 1 53 ILE MG 1.800 . 3.603 2.327 2.208 2.545 . 0 0 "[ . 1 .]" 1
124 1 53 ILE HB 1 53 ILE MD 1.800 . 3.603 2.907 2.089 3.170 . 0 0 "[ . 1 .]" 1
125 1 55 LYS HA 1 55 LYS QD 1.800 . 4.490 3.322 2.146 4.040 . 0 0 "[ . 1 .]" 1
126 1 55 LYS HA 1 55 LYS QE 1.800 . 5.390 4.147 3.539 4.799 . 0 0 "[ . 1 .]" 1
127 1 55 LYS HA 1 55 LYS QG 1.800 . 3.367 2.147 1.988 2.483 . 0 0 "[ . 1 .]" 1
128 1 59 ARG HA 1 59 ARG QD 1.800 . 4.490 4.055 3.952 4.134 . 0 0 "[ . 1 .]" 1
129 1 63 VAL HA 1 63 VAL MG1 1.800 . 3.002 2.394 2.273 2.501 . 0 0 "[ . 1 .]" 1
130 1 63 VAL HA 1 63 VAL MG2 1.800 . 3.002 2.392 2.311 2.471 . 0 0 "[ . 1 .]" 1
131 1 66 ARG HA 1 66 ARG QD 1.800 . 5.612 3.734 1.897 4.296 . 0 0 "[ . 1 .]" 1
132 1 74 THR HA 1 74 THR HB 1.800 . 2.500 2.550 2.467 2.627 0.127 7 0 "[ . 1 .]" 1
133 1 74 THR HA 1 74 THR MG 1.800 . 3.002 2.430 2.320 2.533 . 0 0 "[ . 1 .]" 1
134 1 77 THR HA 1 77 THR MG 1.800 . 3.002 2.385 2.270 2.527 . 0 0 "[ . 1 .]" 1
135 1 78 LEU HA 1 78 LEU HG 1.800 . 2.500 2.359 2.190 2.572 0.072 11 0 "[ . 1 .]" 1
136 1 78 LEU HA 1 78 LEU QD 1.800 . 4.044 2.826 2.110 3.037 . 0 0 "[ . 1 .]" 1
137 1 79 LYS HA 1 79 LYS QD 1.800 . 4.490 3.770 2.481 4.137 . 0 0 "[ . 1 .]" 1
138 1 79 LYS HA 1 79 LYS QG 1.800 . 4.490 2.530 2.024 3.316 . 0 0 "[ . 1 .]" 1
139 1 80 ILE HA 1 80 ILE QG 1.800 . 3.367 2.497 2.341 2.665 . 0 0 "[ . 1 .]" 1
140 1 80 ILE HA 1 80 ILE MG 1.800 . 3.002 2.316 2.218 2.431 . 0 0 "[ . 1 .]" 1
141 1 80 ILE HB 1 80 ILE MD 1.800 . 3.002 2.249 2.107 2.357 . 0 0 "[ . 1 .]" 1
142 1 82 ARG HA 1 82 ARG QG 1.800 . 4.490 2.740 2.091 3.327 . 0 0 "[ . 1 .]" 1
143 1 86 GLU HA 1 86 GLU QG 1.800 . 4.490 2.579 2.241 3.383 . 0 0 "[ . 1 .]" 1
144 1 88 LEU HA 1 88 LEU HB3 1.800 . 2.500 2.493 2.437 2.532 0.032 7 0 "[ . 1 .]" 1
145 1 88 LEU HA 1 88 LEU MD2 1.800 . 4.490 2.084 1.949 2.287 . 0 0 "[ . 1 .]" 1
146 1 90 ILE HA 1 90 ILE MD 1.800 . 4.804 2.726 1.951 3.913 . 0 0 "[ . 1 .]" 1
147 1 90 ILE HA 1 90 ILE QG 1.800 . 4.490 2.812 2.225 3.221 . 0 0 "[ . 1 .]" 1
148 1 90 ILE HA 1 90 ILE MG 1.800 . 4.804 2.277 2.169 2.538 . 0 0 "[ . 1 .]" 1
149 1 96 THR HA 1 96 THR MG 1.800 . 3.603 2.617 2.206 3.197 . 0 0 "[ . 1 .]" 1
150 1 97 THR HA 1 97 THR MG 1.800 . 3.603 2.346 1.988 2.906 . 0 0 "[ . 1 .]" 1
151 1 107 THR HA 1 107 THR MG 1.800 . 3.002 2.326 2.197 2.462 . 0 0 "[ . 1 .]" 1
152 1 108 LYS HA 1 108 LYS QD 1.800 . 4.490 3.276 2.037 4.034 . 0 0 "[ . 1 .]" 1
153 1 108 LYS HA 1 108 LYS QE 1.800 . 5.390 4.167 3.808 4.674 . 0 0 "[ . 1 .]" 1
154 1 108 LYS HA 1 108 LYS QG 1.800 . 3.367 2.428 2.023 3.267 . 0 0 "[ . 1 .]" 1
155 1 109 LEU HA 1 109 LEU QD 1.800 . 4.044 2.749 2.246 2.960 . 0 0 "[ . 1 .]" 1
156 1 109 LEU HA 1 109 LEU HG 1.800 . 3.000 2.155 1.994 2.374 . 0 0 "[ . 1 .]" 1
157 1 111 ILE HA 1 111 ILE MD 1.800 . 4.803 3.407 2.016 3.920 . 0 0 "[ . 1 .]" 1
158 1 111 ILE HA 1 111 ILE MG 1.800 . 3.603 2.893 2.287 3.161 . 0 0 "[ . 1 .]" 1
159 1 111 ILE HB 1 111 ILE MD 1.800 . 3.603 2.260 2.035 3.172 . 0 0 "[ . 1 .]" 1
160 1 111 ILE HB 1 111 ILE QG 1.800 . 2.806 2.441 2.178 2.508 . 0 0 "[ . 1 .]" 1
161 1 112 LYS HA 1 112 LYS QG 1.800 . 3.367 2.445 2.091 3.245 . 0 0 "[ . 1 .]" 1
162 1 54 TYR QE 1 55 LYS QB 1.800 . 5.040 3.147 2.585 3.620 . 0 0 "[ . 1 .]" 1
163 1 54 TYR QD 1 55 LYS QB 1.800 . 3.780 2.835 2.120 3.049 . 0 0 "[ . 1 .]" 1
164 1 66 ARG H 1 67 PHE QD 1.800 . 4.490 3.762 2.862 4.022 . 0 0 "[ . 1 .]" 1
165 1 97 THR HB 1 98 HIS HD2 1.800 . 4.000 2.466 2.105 3.300 . 0 0 "[ . 1 .]" 1
166 1 1 ASP HA 1 2 VAL H 1.800 . 3.000 2.354 2.013 2.652 . 0 0 "[ . 1 .]" 1
167 1 1 ASP QB 1 2 VAL H 1.800 . 4.490 2.698 1.997 3.784 . 0 0 "[ . 1 .]" 1
168 1 2 VAL HA 1 3 VAL H 1.800 . 3.000 2.182 2.135 2.311 . 0 0 "[ . 1 .]" 1
169 1 2 VAL MG1 1 3 VAL H 1.800 . 4.804 2.965 2.344 3.645 . 0 0 "[ . 1 .]" 1
170 1 3 VAL HA 1 4 MET H 1.800 . 2.500 2.283 2.134 2.472 . 0 0 "[ . 1 .]" 1
171 1 3 VAL QG 1 4 MET H 1.800 . 4.044 2.197 1.846 2.933 . 0 0 "[ . 1 .]" 1
172 1 4 MET HA 1 5 THR H 1.800 . 3.000 2.231 2.130 2.567 . 0 0 "[ . 1 .]" 1
173 1 4 MET H 1 5 THR H 1.800 . 4.000 4.024 3.762 4.344 0.344 12 0 "[ . 1 .]" 1
174 1 5 THR HA 1 6 GLN H 1.800 . 3.000 2.202 2.129 2.337 . 0 0 "[ . 1 .]" 1
175 1 5 THR MG 1 6 GLN H 1.800 . 4.804 2.901 2.162 3.526 . 0 0 "[ . 1 .]" 1
176 1 6 GLN HA 1 7 THR H 1.800 . 2.500 2.210 2.116 2.379 . 0 0 "[ . 1 .]" 1
177 1 6 GLN QB 1 7 THR H 1.800 . 4.490 3.236 2.349 3.590 . 0 0 "[ . 1 .]" 1
178 1 6 GLN QG 1 7 THR H 1.800 . 4.490 2.767 1.847 3.717 . 0 0 "[ . 1 .]" 1
179 1 8 PRO HA 1 9 LEU H 1.800 . 2.500 2.523 2.495 2.545 0.045 9 0 "[ . 1 .]" 1
180 1 8 PRO HB2 1 9 LEU H 1.800 . 3.000 2.504 2.420 2.577 . 0 0 "[ . 1 .]" 1
181 1 8 PRO QG 1 9 LEU H 1.800 . 4.804 4.279 4.220 4.326 . 0 0 "[ . 1 .]" 1
182 1 10 SER HA 1 11 LEU H 1.800 . 2.500 2.243 2.175 2.319 . 0 0 "[ . 1 .]" 1
183 1 12 PRO HA 1 13 VAL H 1.800 . 2.500 2.193 2.171 2.223 . 0 0 "[ . 1 .]" 1
184 1 12 PRO HB2 1 13 VAL H 1.800 . 4.000 3.982 3.806 4.064 0.064 8 0 "[ . 1 .]" 1
185 1 12 PRO QG 1 13 VAL H 1.800 . 5.612 5.025 4.993 5.037 . 0 0 "[ . 1 .]" 1
186 1 13 VAL MG2 1 14 SER H 1.800 . 4.804 3.000 2.173 3.530 . 0 0 "[ . 1 .]" 1
187 1 14 SER HA 1 15 LEU H 1.800 . 3.000 2.327 2.232 2.509 . 0 0 "[ . 1 .]" 1
188 1 14 SER QB 1 15 LEU H 1.800 . 5.612 2.991 2.420 3.896 . 0 0 "[ . 1 .]" 1
189 1 15 LEU HA 1 16 GLY H 1.800 . 2.500 2.212 2.138 2.254 . 0 0 "[ . 1 .]" 1
190 1 15 LEU HB3 1 16 GLY H 1.800 . 4.000 4.036 3.932 4.073 0.073 1 0 "[ . 1 .]" 1
191 1 15 LEU MD2 1 16 GLY H 1.800 . 4.804 3.788 3.584 3.963 . 0 0 "[ . 1 .]" 1
192 1 15 LEU H 1 16 GLY H 1.800 . 4.000 4.060 4.008 4.122 0.122 9 0 "[ . 1 .]" 1
193 1 16 GLY QA 1 17 ASP H 1.800 . 4.490 2.830 2.761 2.908 . 0 0 "[ . 1 .]" 1
194 1 16 GLY H 1 17 ASP H 1.800 . 3.000 1.975 1.718 2.158 0.082 9 0 "[ . 1 .]" 1
195 1 17 ASP QB 1 18 GLN H 1.800 . 3.367 2.186 1.621 3.029 0.179 3 0 "[ . 1 .]" 1
196 1 18 GLN HA 1 19 ALA H 1.800 . 3.000 2.322 2.139 2.652 . 0 0 "[ . 1 .]" 1
197 1 18 GLN QB 1 19 ALA H 1.800 . 3.367 2.688 2.009 3.049 . 0 0 "[ . 1 .]" 1
198 1 18 GLN QG 1 19 ALA H 1.800 . 4.490 3.780 2.781 4.037 . 0 0 "[ . 1 .]" 1
199 1 19 ALA HA 1 20 SER H 1.800 . 3.000 2.362 2.187 2.512 . 0 0 "[ . 1 .]" 1
200 1 19 ALA MB 1 20 SER H 1.800 . 3.603 2.596 2.091 3.018 . 0 0 "[ . 1 .]" 1
201 1 19 ALA H 1 20 SER H 1.800 . 5.000 4.481 4.404 4.568 . 0 0 "[ . 1 .]" 1
202 1 20 SER HA 1 21 ILE H 1.800 . 2.500 2.234 2.135 2.404 . 0 0 "[ . 1 .]" 1
203 1 20 SER QB 1 21 ILE H 1.800 . 4.490 3.771 3.632 3.921 . 0 0 "[ . 1 .]" 1
204 1 21 ILE HA 1 22 SER H 1.800 . 2.500 2.190 2.093 2.469 . 0 0 "[ . 1 .]" 1
205 1 21 ILE HB 1 22 SER H 1.800 . 4.000 3.975 3.420 4.170 0.170 6 0 "[ . 1 .]" 1
206 1 21 ILE MG 1 22 SER H 1.800 . 3.603 2.475 1.795 2.855 0.005 15 0 "[ . 1 .]" 1
207 1 22 SER HA 1 23 CYS H 1.800 . 3.000 2.264 2.130 2.366 . 0 0 "[ . 1 .]" 1
208 1 23 CYS HA 1 24 ARG H 1.800 . 2.500 2.178 2.146 2.219 . 0 0 "[ . 1 .]" 1
209 1 24 ARG HA 1 25 SER H 1.800 . 2.500 2.278 2.129 2.524 0.024 2 0 "[ . 1 .]" 1
210 1 24 ARG QB 1 25 SER H 1.800 . 4.490 2.868 2.239 3.640 . 0 0 "[ . 1 .]" 1
211 1 24 ARG QG 1 25 SER H 1.800 . 4.490 3.595 2.370 4.090 . 0 0 "[ . 1 .]" 1
212 1 25 SER QB 1 26 SER H 1.800 . 4.490 3.130 2.664 3.517 . 0 0 "[ . 1 .]" 1
213 1 26 SER QB 1 27 GLN H 1.800 . 4.490 2.729 1.841 3.827 . 0 0 "[ . 1 .]" 1
214 1 26 SER H 1 27 GLN H 1.800 . 4.000 2.877 2.391 3.619 . 0 0 "[ . 1 .]" 1
215 1 28 SER HA 1 29 LEU H 1.800 . 3.000 2.349 2.158 2.638 . 0 0 "[ . 1 .]" 1
216 1 29 LEU H 1 30 VAL H 1.800 . 3.000 2.588 1.932 3.035 0.035 14 0 "[ . 1 .]" 1
217 1 30 VAL HA 1 31 HIS H 1.800 . 3.000 2.158 2.117 2.246 . 0 0 "[ . 1 .]" 1
218 1 30 VAL MG1 1 31 HIS H 1.800 . 3.603 2.613 2.207 2.991 . 0 0 "[ . 1 .]" 1
219 1 32 SER H 1 33 ASN H 1.800 . 4.000 3.178 2.499 4.092 0.092 15 0 "[ . 1 .]" 1
220 1 33 ASN H 1 34 GLY H 1.800 . 5.000 2.806 1.796 4.441 0.004 1 0 "[ . 1 .]" 1
221 1 35 ASN HB3 1 36 THR H 1.800 . 4.000 2.860 1.873 4.058 0.058 8 0 "[ . 1 .]" 1
222 1 35 ASN HB2 1 36 THR H 1.800 . 5.000 3.730 2.160 4.602 . 0 0 "[ . 1 .]" 1
223 1 36 THR HA 1 37 TYR H 1.800 . 3.000 2.202 2.140 2.404 . 0 0 "[ . 1 .]" 1
224 1 36 THR MG 1 37 TYR H 1.800 . 4.804 2.788 2.091 3.914 . 0 0 "[ . 1 .]" 1
225 1 37 TYR HA 1 38 LEU H 1.800 . 3.000 2.245 2.118 2.461 . 0 0 "[ . 1 .]" 1
226 1 38 LEU QD 1 39 ASN H 1.800 . 5.392 2.570 1.816 3.342 . 0 0 "[ . 1 .]" 1
227 1 39 ASN HA 1 40 TRP H 1.800 . 3.000 2.278 2.120 2.460 . 0 0 "[ . 1 .]" 1
228 1 39 ASN QB 1 40 TRP H 1.800 . 4.490 3.167 2.343 3.917 . 0 0 "[ . 1 .]" 1
229 1 40 TRP HA 1 41 TYR H 1.800 . 3.000 2.352 2.221 2.530 . 0 0 "[ . 1 .]" 1
230 1 40 TRP HB3 1 41 TYR H 1.800 . 4.000 2.676 2.249 2.884 . 0 0 "[ . 1 .]" 1
231 1 40 TRP HB2 1 41 TYR H 1.800 . 4.000 3.957 3.631 4.074 0.074 12 0 "[ . 1 .]" 1
232 1 40 TRP HZ3 1 41 TYR H 1.800 . 5.000 4.596 4.027 5.005 0.005 11 0 "[ . 1 .]" 1
233 1 41 TYR HA 1 42 LEU H 1.800 . 2.500 2.298 2.171 2.453 . 0 0 "[ . 1 .]" 1
234 1 42 LEU HA 1 43 GLN H 1.800 . 4.000 2.173 2.130 2.326 . 0 0 "[ . 1 .]" 1
235 1 42 LEU QD 1 43 GLN H 1.800 . 5.392 2.339 2.045 3.155 . 0 0 "[ . 1 .]" 1
236 1 43 GLN HA 1 44 LYS H 1.800 . 3.000 2.188 2.111 2.403 . 0 0 "[ . 1 .]" 1
237 1 44 LYS HB2 1 45 ALA H 1.800 . 4.000 3.783 3.549 4.032 0.032 7 0 "[ . 1 .]" 1
238 1 46 GLY QA 1 47 GLN H 1.800 . 4.490 2.633 2.295 2.906 . 0 0 "[ . 1 .]" 1
239 1 46 GLY H 1 47 GLN H 1.800 . 4.000 2.756 2.441 3.358 . 0 0 "[ . 1 .]" 1
240 1 47 GLN HB2 1 48 SER H 1.800 . 4.000 3.831 3.207 4.102 0.102 13 0 "[ . 1 .]" 1
241 1 49 PRO HA 1 50 LYS H 1.800 . 3.000 2.323 2.164 3.083 0.083 9 0 "[ . 1 .]" 1
242 1 50 LYS HA 1 51 LEU H 1.800 . 3.000 2.355 2.121 3.014 0.014 2 0 "[ . 1 .]" 1
243 1 50 LYS QB 1 51 LEU H 1.800 . 4.490 3.327 2.252 3.985 . 0 0 "[ . 1 .]" 1
244 1 50 LYS QG 1 51 LEU H 1.800 . 4.490 3.144 1.738 4.043 0.062 11 0 "[ . 1 .]" 1
245 1 52 LEU QB 1 53 ILE H 1.800 . 3.367 1.935 1.641 2.511 0.159 7 0 "[ . 1 .]" 1
246 1 52 LEU QD 1 53 ILE H 1.800 . 5.392 3.486 3.044 4.001 . 0 0 "[ . 1 .]" 1
247 1 52 LEU H 1 53 ILE H 1.800 . 3.000 2.698 1.948 3.116 0.116 1 0 "[ . 1 .]" 1
248 1 53 ILE HB 1 54 TYR H 1.800 . 4.000 3.997 3.571 4.170 0.170 8 0 "[ . 1 .]" 1
249 1 53 ILE MG 1 54 TYR H 1.800 . 3.603 2.266 1.766 2.734 0.034 4 0 "[ . 1 .]" 1
250 1 57 SER H 1 58 ASN QD 1.800 . 5.612 4.407 2.691 5.064 . 0 0 "[ . 1 .]" 1
251 1 57 SER H 1 58 ASN H 1.800 . 3.000 2.484 1.783 3.129 0.129 4 0 "[ . 1 .]" 1
252 1 59 ARG QB 1 60 PHE H 1.800 . 4.490 3.026 2.461 3.632 . 0 0 "[ . 1 .]" 1
253 1 59 ARG QG 1 60 PHE H 1.800 . 5.612 4.051 3.722 4.319 . 0 0 "[ . 1 .]" 1
254 1 60 PHE HA 1 61 SER H 1.800 . 3.000 2.406 2.330 2.526 . 0 0 "[ . 1 .]" 1
255 1 60 PHE QD 1 61 SER H 1.800 . 4.490 2.745 2.395 3.036 . 0 0 "[ . 1 .]" 1
256 1 62 GLY QA 1 63 VAL H 1.800 . 5.612 2.746 2.420 2.910 . 0 0 "[ . 1 .]" 1
257 1 62 GLY H 1 63 VAL H 1.800 . 4.000 2.794 1.815 3.806 . 0 0 "[ . 1 .]" 1
258 1 64 PRO HA 1 65 ASP H 1.800 . 3.000 2.593 2.177 3.123 0.123 11 0 "[ . 1 .]" 1
259 1 65 ASP QB 1 66 ARG H 1.800 . 5.612 3.041 2.568 3.740 . 0 0 "[ . 1 .]" 1
260 1 65 ASP H 1 66 ARG H 1.800 . 4.000 2.939 2.628 3.390 . 0 0 "[ . 1 .]" 1
261 1 66 ARG QB 1 67 PHE H 1.800 . 5.612 3.154 2.604 4.039 . 0 0 "[ . 1 .]" 1
262 1 66 ARG H 1 67 PHE H 1.800 . 3.000 2.828 2.679 3.016 0.016 12 0 "[ . 1 .]" 1
263 1 69 GLY QA 1 70 SER H 1.800 . 3.367 2.194 2.118 2.323 . 0 0 "[ . 1 .]" 1
264 1 71 GLY QA 1 72 SER H 1.800 . 3.367 2.180 2.087 2.281 . 0 0 "[ . 1 .]" 1
265 1 73 GLY QA 1 74 THR H 1.800 . 3.367 2.391 2.113 2.641 . 0 0 "[ . 1 .]" 1
266 1 74 THR H 1 75 ASP QB 1.800 . 5.612 3.864 3.425 4.305 . 0 0 "[ . 1 .]" 1
267 1 74 THR H 1 75 ASP H 1.800 . 3.000 2.465 1.961 3.037 0.037 5 0 "[ . 1 .]" 1
268 1 75 ASP HA 1 76 PHE H 1.800 . 2.500 2.221 2.143 2.550 0.050 5 0 "[ . 1 .]" 1
269 1 75 ASP QB 1 76 PHE H 1.800 . 4.490 3.496 3.036 4.019 . 0 0 "[ . 1 .]" 1
270 1 76 PHE HA 1 77 THR H 1.800 . 3.000 2.297 2.162 2.440 . 0 0 "[ . 1 .]" 1
271 1 77 THR HA 1 78 LEU H 1.800 . 2.500 2.223 2.130 2.468 . 0 0 "[ . 1 .]" 1
272 1 77 THR MG 1 78 LEU H 1.800 . 3.603 2.282 1.797 3.012 0.003 7 0 "[ . 1 .]" 1
273 1 78 LEU HA 1 79 LYS H 1.800 . 3.000 2.198 2.148 2.247 . 0 0 "[ . 1 .]" 1
274 1 78 LEU QD 1 79 LYS H 1.800 . 5.392 3.482 2.786 4.020 . 0 0 "[ . 1 .]" 1
275 1 79 LYS HA 1 80 ILE H 1.800 . 2.500 2.147 2.109 2.258 . 0 0 "[ . 1 .]" 1
276 1 80 ILE HA 1 81 SER H 1.800 . 2.500 2.103 2.062 2.134 . 0 0 "[ . 1 .]" 1
277 1 80 ILE MG 1 81 SER H 1.800 . 4.804 2.481 2.052 3.026 . 0 0 "[ . 1 .]" 1
278 1 80 ILE H 1 81 SER H 1.800 . 5.000 4.392 4.079 4.498 . 0 0 "[ . 1 .]" 1
279 1 81 SER H 1 82 ARG H 1.800 . 4.000 2.726 2.372 3.993 . 0 0 "[ . 1 .]" 1
280 1 82 ARG HA 1 83 VAL H 1.800 . 2.500 2.190 2.121 2.347 . 0 0 "[ . 1 .]" 1
281 1 82 ARG H 1 83 VAL H 1.800 . 4.000 3.763 2.741 4.133 0.133 1 0 "[ . 1 .]" 1
282 1 83 VAL HA 1 84 GLU H 1.800 . 2.500 2.183 2.130 2.276 . 0 0 "[ . 1 .]" 1
283 1 83 VAL QG 1 84 GLU H 1.800 . 4.044 2.601 2.029 3.031 . 0 0 "[ . 1 .]" 1
284 1 84 GLU QB 1 85 ALA H 1.800 . 3.367 2.332 2.105 2.852 . 0 0 "[ . 1 .]" 1
285 1 85 ALA MB 1 86 GLU H 1.800 . 3.603 2.623 2.286 2.820 . 0 0 "[ . 1 .]" 1
286 1 85 ALA H 1 86 GLU H 1.800 . 3.000 2.766 2.665 2.877 . 0 0 "[ . 1 .]" 1
287 1 86 GLU QG 1 87 ASP H 1.800 . 4.490 3.855 2.388 4.117 . 0 0 "[ . 1 .]" 1
288 1 86 GLU H 1 87 ASP H 1.800 . 3.000 2.569 2.433 2.759 . 0 0 "[ . 1 .]" 1
289 1 87 ASP QB 1 88 LEU H 1.800 . 4.490 2.847 2.541 3.076 . 0 0 "[ . 1 .]" 1
290 1 87 ASP H 1 88 LEU H 1.800 . 3.000 2.641 2.234 2.898 . 0 0 "[ . 1 .]" 1
291 1 88 LEU HB3 1 89 GLY H 1.800 . 4.000 2.966 2.401 3.230 . 0 0 "[ . 1 .]" 1
292 1 88 LEU HB2 1 89 GLY H 1.800 . 4.000 3.951 3.588 4.069 0.069 4 0 "[ . 1 .]" 1
293 1 88 LEU MD2 1 89 GLY H 1.800 . 6.005 3.362 3.070 3.807 . 0 0 "[ . 1 .]" 1
294 1 89 GLY QA 1 90 ILE H 1.800 . 3.367 2.195 2.139 2.280 . 0 0 "[ . 1 .]" 1
295 1 90 ILE HA 1 91 TYR H 1.800 . 3.000 2.181 2.123 2.342 . 0 0 "[ . 1 .]" 1
296 1 90 ILE MG 1 91 TYR H 1.800 . 4.804 2.739 1.982 3.185 . 0 0 "[ . 1 .]" 1
297 1 91 TYR HA 1 92 PHE H 1.800 . 2.500 2.215 2.131 2.300 . 0 0 "[ . 1 .]" 1
298 1 92 PHE HA 1 93 CYS H 1.800 . 2.500 2.438 2.245 2.586 0.086 4 0 "[ . 1 .]" 1
299 1 92 PHE HB3 1 93 CYS H 1.800 . 4.000 2.492 2.049 3.249 . 0 0 "[ . 1 .]" 1
300 1 92 PHE HB2 1 93 CYS H 1.800 . 4.000 3.594 3.119 4.019 0.019 5 0 "[ . 1 .]" 1
301 1 92 PHE QD 1 93 CYS H 1.800 . 5.612 3.756 3.112 4.589 . 0 0 "[ . 1 .]" 1
302 1 93 CYS HA 1 94 SER H 1.800 . 3.000 2.251 2.124 2.595 . 0 0 "[ . 1 .]" 1
303 1 93 CYS QB 1 94 SER H 1.800 . 4.490 3.093 2.134 3.843 . 0 0 "[ . 1 .]" 1
304 1 95 GLN HA 1 96 THR H 1.800 . 3.000 2.217 2.125 2.378 . 0 0 "[ . 1 .]" 1
305 1 96 THR H 1 97 THR H 1.800 . 4.000 2.618 1.893 3.463 . 0 0 "[ . 1 .]" 1
306 1 97 THR MG 1 98 HIS H 1.800 . 6.005 3.471 2.871 4.183 . 0 0 "[ . 1 .]" 1
307 1 97 THR H 1 98 HIS H 1.800 . 4.000 2.495 2.029 2.958 . 0 0 "[ . 1 .]" 1
308 1 98 HIS HB3 1 99 VAL H 1.800 . 4.000 2.924 2.157 3.999 . 0 0 "[ . 1 .]" 1
309 1 101 PRO HA 1 102 THR H 1.800 . 3.000 2.208 2.140 2.299 . 0 0 "[ . 1 .]" 1
310 1 101 PRO QB 1 102 THR H 1.800 . 5.612 3.320 2.860 3.598 . 0 0 "[ . 1 .]" 1
311 1 102 THR HB 1 103 PHE H 1.800 . 4.000 3.249 2.606 4.110 0.110 7 0 "[ . 1 .]" 1
312 1 105 GLY H 1 106 GLY H 1.800 . 5.000 4.003 2.432 4.656 . 0 0 "[ . 1 .]" 1
313 1 106 GLY QA 1 107 THR H 1.800 . 3.367 2.368 2.103 2.938 . 0 0 "[ . 1 .]" 1
314 1 106 GLY H 1 107 THR HB 1.800 . 5.000 4.448 3.987 5.041 0.041 14 0 "[ . 1 .]" 1
315 1 106 GLY H 1 107 THR H 1.800 . 5.000 2.834 1.895 3.477 . 0 0 "[ . 1 .]" 1
316 1 107 THR HA 1 108 LYS H 1.800 . 3.000 2.159 2.133 2.231 . 0 0 "[ . 1 .]" 1
317 1 107 THR MG 1 108 LYS H 1.800 . 3.603 2.858 2.296 3.046 . 0 0 "[ . 1 .]" 1
318 1 108 LYS HA 1 109 LEU H 1.800 . 3.000 2.178 2.098 2.276 . 0 0 "[ . 1 .]" 1
319 1 109 LEU HA 1 110 GLU H 1.800 . 2.500 2.255 2.108 2.335 . 0 0 "[ . 1 .]" 1
320 1 109 LEU QB 1 110 GLU H 1.800 . 5.612 3.965 3.904 4.014 . 0 0 "[ . 1 .]" 1
321 1 109 LEU HG 1 110 GLU H 1.800 . 4.000 3.784 3.376 4.022 0.022 1 0 "[ . 1 .]" 1
322 1 109 LEU H 1 110 GLU H 1.800 . 4.000 3.856 3.440 4.058 0.058 12 0 "[ . 1 .]" 1
323 1 110 GLU HA 1 111 ILE H 1.800 . 3.000 2.468 2.166 2.896 . 0 0 "[ . 1 .]" 1
324 1 111 ILE HA 1 112 LYS H 1.800 . 2.500 2.406 2.168 2.536 0.036 7 0 "[ . 1 .]" 1
325 1 111 ILE HB 1 112 LYS H 1.800 . 4.000 3.956 3.612 4.098 0.098 13 0 "[ . 1 .]" 1
326 1 112 LYS QG 1 113 ARG H 1.800 . 4.490 3.142 1.922 4.053 . 0 0 "[ . 1 .]" 1
327 1 1 ASP HA 1 2 VAL HA 1.800 . 4.000 4.259 4.229 4.317 0.317 4 0 "[ . 1 .]" 1
328 1 1 ASP HA 1 2 VAL MG2 1.800 . 4.804 3.609 3.319 3.972 . 0 0 "[ . 1 .]" 1
329 1 7 THR HA 1 8 PRO HA 1.800 . 2.500 2.301 2.034 2.474 . 0 0 "[ . 1 .]" 1
330 1 7 THR HB 1 8 PRO HA 1.800 . 3.000 2.482 1.953 3.032 0.032 14 0 "[ . 1 .]" 1
331 1 7 THR HB 1 8 PRO HB3 1.800 . 5.000 4.040 3.451 4.548 . 0 0 "[ . 1 .]" 1
332 1 7 THR MG 1 8 PRO HA 1.800 . 4.804 2.137 1.967 2.612 . 0 0 "[ . 1 .]" 1
333 1 8 PRO HA 1 9 LEU QD 1.800 . 5.392 3.370 2.966 3.865 . 0 0 "[ . 1 .]" 1
334 1 11 LEU HA 1 12 PRO QD 1.800 . 2.806 2.008 1.921 2.084 . 0 0 "[ . 1 .]" 1
335 1 12 PRO HA 1 13 VAL MG2 1.800 . 6.005 3.792 3.600 3.956 . 0 0 "[ . 1 .]" 1
336 1 13 VAL MG2 1 14 SER HA 1.800 . 4.804 3.773 3.279 4.036 . 0 0 "[ . 1 .]" 1
337 1 53 ILE MG 1 54 TYR HA 1.800 . 4.804 3.664 3.191 4.006 . 0 0 "[ . 1 .]" 1
338 1 56 VAL QG 1 57 SER QB 1.800 . 4.539 2.711 2.264 3.122 . 0 0 "[ . 1 .]" 1
339 1 63 VAL HA 1 64 PRO QD 1.800 . 2.806 1.833 1.822 1.852 . 0 0 "[ . 1 .]" 1
340 1 63 VAL MG1 1 64 PRO QD 1.800 . 5.044 2.246 1.940 2.765 . 0 0 "[ . 1 .]" 1
341 1 63 VAL MG2 1 64 PRO QD 1.800 . 5.044 3.388 3.114 3.505 . 0 0 "[ . 1 .]" 1
342 1 74 THR HA 1 75 ASP H 1.800 . 3.000 2.990 2.601 3.183 0.183 3 0 "[ . 1 .]" 1
343 1 80 ILE HA 1 81 SER HA 1.800 . 4.000 4.292 4.264 4.347 0.347 11 0 "[ . 1 .]" 1
344 1 81 SER QB 1 82 ARG QB 1.800 . 5.040 3.649 3.222 4.058 . 0 0 "[ . 1 .]" 1
345 1 85 ALA HA 1 86 GLU H 1.800 . 5.000 3.507 3.450 3.570 . 0 0 "[ . 1 .]" 1
346 1 97 THR HA 1 98 HIS HD2 1.800 . 5.000 4.947 4.671 5.049 0.049 11 0 "[ . 1 .]" 1
347 1 101 PRO HA 1 102 THR MG 1.800 . 4.804 3.788 3.550 4.058 . 0 0 "[ . 1 .]" 1
348 1 35 ASN HB2 1 37 TYR QE 1.800 . 4.490 3.354 2.734 4.057 . 0 0 "[ . 1 .]" 1
349 1 38 LEU QD 1 40 TRP HD1 1.800 . 4.044 2.656 2.321 3.041 . 0 0 "[ . 1 .]" 1
350 1 38 LEU QD 1 40 TRP HZ2 1.800 . 5.392 3.738 3.194 4.025 . 0 0 "[ . 1 .]" 1
351 1 51 LEU HG 1 54 TYR QD 1.800 . 4.490 3.884 3.153 4.074 . 0 0 "[ . 1 .]" 1
352 1 64 PRO HB2 1 67 PHE QD 1.800 . 4.490 3.496 2.648 4.028 . 0 0 "[ . 1 .]" 1
353 1 64 PRO QD 1 67 PHE QD 1.800 . 6.300 2.829 2.112 3.542 . 0 0 "[ . 1 .]" 1
354 1 64 PRO QD 1 67 PHE QE 1.800 . 6.300 3.403 2.841 4.264 . 0 0 "[ . 1 .]" 1
355 1 74 THR HA 1 76 PHE QE 1.800 . 4.490 2.579 2.118 3.527 . 0 0 "[ . 1 .]" 1
356 1 8 PRO QG 1 10 SER H 1.800 . 5.612 3.675 3.381 3.947 . 0 0 "[ . 1 .]" 1
357 1 38 LEU QD 1 40 TRP HE1 1.800 . 5.392 2.295 1.627 2.762 0.173 13 0 "[ . 1 .]" 1
358 1 44 LYS H 1 47 GLN HB3 1.800 . 4.000 3.293 2.596 4.018 0.018 5 0 "[ . 1 .]" 1
359 1 53 ILE MG 1 56 VAL H 1.800 . 6.005 2.940 2.132 4.460 . 0 0 "[ . 1 .]" 1
360 1 55 LYS QB 1 58 ASN QD 1.800 . 5.040 2.685 1.808 4.018 . 0 0 "[ . 1 .]" 1
361 1 60 PHE H 1 63 VAL HB 1.800 . 5.000 3.169 2.407 4.148 . 0 0 "[ . 1 .]" 1
362 1 64 PRO HB2 1 66 ARG H 1.800 . 4.000 2.517 2.081 2.842 . 0 0 "[ . 1 .]" 1
363 1 72 SER H 1 75 ASP H 1.800 . 4.000 3.589 2.869 4.039 0.039 15 0 "[ . 1 .]" 1
364 1 73 GLY QA 1 75 ASP H 1.800 . 5.612 3.813 3.399 4.518 . 0 0 "[ . 1 .]" 1
365 1 80 ILE MG 1 82 ARG H 1.800 . 3.603 2.082 1.717 3.019 0.083 2 0 "[ . 1 .]" 1
366 1 84 GLU QB 1 86 GLU H 1.800 . 4.490 2.533 2.157 3.041 . 0 0 "[ . 1 .]" 1
367 1 84 GLU H 1 87 ASP QB 1.800 . 4.490 2.187 1.770 3.174 0.030 14 0 "[ . 1 .]" 1
368 1 84 GLU H 1 87 ASP H 1.800 . 4.000 3.267 2.913 3.708 . 0 0 "[ . 1 .]" 1
369 1 95 GLN QB 1 97 THR H 1.800 . 4.490 2.701 2.491 3.075 . 0 0 "[ . 1 .]" 1
370 1 31 HIS HB3 1 33 ASN H 1.800 . 5.000 3.234 2.381 5.024 0.024 15 0 "[ . 1 .]" 1
371 1 60 PHE HB3 1 63 VAL H 1.800 . 5.000 4.236 3.451 4.963 . 0 0 "[ . 1 .]" 1
372 1 7 THR HB 1 9 LEU H 1.800 . 6.000 4.928 4.331 5.513 . 0 0 "[ . 1 .]" 1
373 1 8 PRO HB2 1 10 SER H 1.800 . 4.500 2.196 2.032 2.421 . 0 0 "[ . 1 .]" 1
374 1 14 SER H 1 17 ASP H 1.800 . 6.000 3.927 3.562 4.574 . 0 0 "[ . 1 .]" 1
375 1 25 SER HA 1 27 GLN H 1.800 . 6.000 4.408 3.620 5.163 . 0 0 "[ . 1 .]" 1
376 1 25 SER QB 1 27 GLN H 1.800 . 5.051 3.400 2.575 4.138 . 0 0 "[ . 1 .]" 1
377 1 44 LYS QG 1 47 GLN QE 1.800 . 7.560 4.257 2.537 6.016 . 0 0 "[ . 1 .]" 1
378 1 44 LYS H 1 47 GLN HB2 1.800 . 4.500 4.306 3.621 4.585 0.085 4 0 "[ . 1 .]" 1
379 1 51 LEU HA 1 53 ILE H 1.800 . 6.000 4.740 4.002 5.256 . 0 0 "[ . 1 .]" 1
380 1 61 SER HA 1 63 VAL H 1.800 . 6.000 3.764 3.393 4.226 . 0 0 "[ . 1 .]" 1
381 1 64 PRO HB2 1 67 PHE H 1.800 . 6.000 4.157 2.992 5.229 . 0 0 "[ . 1 .]" 1
382 1 80 ILE HA 1 82 ARG H 1.800 . 6.000 3.915 3.516 4.977 . 0 0 "[ . 1 .]" 1
383 1 85 ALA HA 1 87 ASP H 1.800 . 4.500 4.183 3.719 4.514 0.014 7 0 "[ . 1 .]" 1
384 1 85 ALA MB 1 87 ASP H 1.800 . 7.206 4.449 4.182 4.762 . 0 0 "[ . 1 .]" 1
385 1 85 ALA H 1 87 ASP H 1.800 . 6.000 4.224 3.911 4.632 . 0 0 "[ . 1 .]" 1
386 1 85 ALA HA 1 88 LEU H 1.800 . 6.000 3.614 3.342 3.825 . 0 0 "[ . 1 .]" 1
387 1 86 GLU QB 1 88 LEU H 1.800 . 6.735 4.581 4.314 4.961 . 0 0 "[ . 1 .]" 1
388 1 86 GLU H 1 88 LEU H 1.800 . 6.000 4.134 3.895 4.347 . 0 0 "[ . 1 .]" 1
389 1 89 GLY H 1 91 TYR QE 1.800 . 6.735 5.258 4.137 6.020 . 0 0 "[ . 1 .]" 1
390 1 95 GLN HA 1 97 THR H 1.800 . 6.000 3.882 3.452 4.474 . 0 0 "[ . 1 .]" 1
391 1 108 LYS QG 1 110 GLU H 1.800 . 6.735 4.482 2.771 5.957 . 0 0 "[ . 1 .]" 1
392 1 109 LEU HA 1 111 ILE H 1.800 . 6.000 4.886 3.447 6.166 0.166 3 0 "[ . 1 .]" 1
393 1 3 VAL QG 1 5 THR H 1.800 . 8.088 3.698 3.134 4.797 . 0 0 "[ . 1 .]" 1
394 1 27 GLN H 1 29 LEU HG 1.800 . 6.000 5.463 4.881 6.011 0.011 1 0 "[ . 1 .]" 1
395 1 45 ALA MB 1 47 GLN H 1.800 . 7.206 4.734 3.771 5.307 . 0 0 "[ . 1 .]" 1
396 1 51 LEU QD 1 54 TYR H 1.800 . 8.088 3.949 3.460 4.610 . 0 0 "[ . 1 .]" 1
397 1 60 PHE H 1 63 VAL MG1 1.800 . 7.206 3.385 2.757 4.016 . 0 0 "[ . 1 .]" 1
398 1 111 ILE MG 1 113 ARG H 1.800 . 7.206 3.778 1.625 5.112 0.175 15 0 "[ . 1 .]" 1
399 1 7 THR HA 1 9 LEU QD 1.800 . 4.044 2.978 2.828 3.023 . 0 0 "[ . 1 .]" 1
400 1 8 PRO QG 1 11 LEU MD1 1.800 . 4.044 1.939 1.798 2.117 0.002 2 0 "[ . 1 .]" 1
401 1 11 LEU HG 1 13 VAL MG1 1.800 . 3.600 2.404 2.098 2.807 . 0 0 "[ . 1 .]" 1
402 1 44 LYS HB3 1 47 GLN HB2 1.800 . 3.000 2.262 1.965 3.033 0.033 5 0 "[ . 1 .]" 1
403 1 51 LEU MD1 1 54 TYR HA 1.800 . 4.804 3.118 2.492 3.914 . 0 0 "[ . 1 .]" 1
404 1 51 LEU MD1 1 54 TYR QB 1.800 . 4.044 2.624 1.998 3.024 . 0 0 "[ . 1 .]" 1
405 1 51 LEU MD1 1 54 TYR H 1.800 . 6.005 4.331 3.679 5.002 . 0 0 "[ . 1 .]" 1
406 1 51 LEU MD2 1 54 TYR QB 1.800 . 6.740 2.210 1.891 2.971 . 0 0 "[ . 1 .]" 1
407 1 53 ILE MG 1 56 VAL HA 1.800 . 4.804 3.056 2.210 3.697 . 0 0 "[ . 1 .]" 1
408 1 60 PHE HB3 1 63 VAL MG2 1.800 . 3.603 2.069 1.788 2.513 0.012 8 0 "[ . 1 .]" 1
409 1 60 PHE HB2 1 63 VAL MG2 1.800 . 4.804 3.111 2.514 3.426 . 0 0 "[ . 1 .]" 1
410 1 60 PHE QD 1 63 VAL MG2 1.800 . 5.392 3.148 2.502 3.744 . 0 0 "[ . 1 .]" 1
411 1 77 THR HB 1 79 LYS QE 1.800 . 4.490 3.400 2.560 4.020 . 0 0 "[ . 1 .]" 1
412 1 77 THR MG 1 79 LYS QE 1.800 . 4.044 2.732 2.007 3.044 . 0 0 "[ . 1 .]" 1
413 1 80 ILE HB 1 83 VAL QG 1.800 . 4.800 2.614 2.104 2.874 . 0 0 "[ . 1 .]" 1
414 1 80 ILE MG 1 83 VAL QG 1.800 . 4.047 2.438 2.206 2.519 . 0 0 "[ . 1 .]" 1
415 1 85 ALA HA 1 88 LEU MD1 1.800 . 4.803 2.275 2.025 2.697 . 0 0 "[ . 1 .]" 1
416 1 85 ALA HA 1 88 LEU MD2 1.800 . 4.800 3.787 3.542 4.004 . 0 0 "[ . 1 .]" 1
417 1 85 ALA HA 1 88 LEU HG 1.800 . 3.000 2.536 2.200 3.001 0.001 14 0 "[ . 1 .]" 1
418 1 111 ILE MG 1 113 ARG QD 1.800 . 5.392 3.594 2.662 4.019 . 0 0 "[ . 1 .]" 1
419 1 8 PRO HB2 1 11 LEU MD1 1.800 . 7.206 3.789 3.607 4.146 . 0 0 "[ . 1 .]" 1
420 1 8 PRO QG 1 11 LEU MD2 1.800 . 8.088 4.141 3.807 4.462 . 0 0 "[ . 1 .]" 1
421 1 13 VAL MG2 1 15 LEU MD1 1.800 . 8.090 5.606 5.163 5.668 . 0 0 "[ . 1 .]" 1
422 1 42 LEU QD 1 44 LYS QE 1.800 . 6.735 3.699 2.582 4.461 . 0 0 "[ . 1 .]" 1
423 1 42 LEU QD 1 44 LYS QG 1.800 . 9.079 4.206 3.364 5.876 . 0 0 "[ . 1 .]" 1
424 1 80 ILE HA 1 83 VAL QG 1.800 . 8.088 4.890 4.444 5.189 . 0 0 "[ . 1 .]" 1
425 1 80 ILE MD 1 83 VAL QG 1.800 . 4.857 2.525 2.065 3.003 . 0 0 "[ . 1 .]" 1
426 1 80 ILE MG 1 83 VAL HA 1.800 . 5.404 2.649 2.335 3.054 . 0 0 "[ . 1 .]" 1
427 1 84 GLU QB 1 86 GLU QG 1.800 . 7.560 3.402 2.094 3.960 . 0 0 "[ . 1 .]" 1
428 1 88 LEU MD2 1 91 TYR QE 1.800 . 8.088 5.562 5.066 6.009 . 0 0 "[ . 1 .]" 1
429 1 111 ILE MG 1 113 ARG HA 1.800 . 5.404 3.922 3.162 4.570 . 0 0 "[ . 1 .]" 1
430 1 8 PRO QD 1 11 LEU MD1 1.800 . 8.088 2.323 1.925 2.738 . 0 0 "[ . 1 .]" 1
431 1 44 LYS HB3 1 47 GLN HB3 1.800 . 4.500 2.354 1.831 3.535 . 0 0 "[ . 1 .]" 1
432 1 23 CYS QB 1 40 TRP HZ2 1.800 . 4.490 2.702 2.200 3.289 . 0 0 "[ . 1 .]" 1
433 1 29 LEU HB2 1 76 PHE HZ 1.800 . 5.000 2.880 2.217 3.699 . 0 0 "[ . 1 .]" 1
434 1 29 LEU HA 1 98 HIS HD2 1.800 . 5.000 3.115 2.227 4.088 . 0 0 "[ . 1 .]" 1
435 1 29 LEU MD2 1 98 HIS HD2 1.800 . 3.603 2.544 2.102 3.017 . 0 0 "[ . 1 .]" 1
436 1 31 HIS HB3 1 37 TYR QE 1.800 . 4.490 3.390 2.325 4.033 . 0 0 "[ . 1 .]" 1
437 1 37 TYR QE 1 55 LYS QE 1.800 . 5.040 3.287 2.507 4.002 . 0 0 "[ . 1 .]" 1
438 1 38 LEU QD 1 76 PHE QE 1.800 . 4.539 2.915 2.546 3.045 . 0 0 "[ . 1 .]" 1
439 1 40 TRP HZ2 1 76 PHE HB3 1.800 . 4.000 3.507 2.751 4.035 0.035 9 0 "[ . 1 .]" 1
440 1 40 TRP HD1 1 78 LEU QD 1.800 . 5.392 3.669 2.636 4.010 . 0 0 "[ . 1 .]" 1
441 1 40 TRP HH2 1 78 LEU QD 1.800 . 5.392 4.030 3.951 4.071 . 0 0 "[ . 1 .]" 1
442 1 40 TRP HZ2 1 78 LEU HB2 1.800 . 5.000 3.195 2.974 3.371 . 0 0 "[ . 1 .]" 1
443 1 40 TRP HZ3 1 91 TYR QB 1.800 . 4.490 2.996 2.585 3.524 . 0 0 "[ . 1 .]" 1
444 1 54 TYR QE 1 60 PHE HB2 1.800 . 4.490 3.654 2.675 4.022 . 0 0 "[ . 1 .]" 1
445 1 67 PHE QD 1 80 ILE QG 1.800 . 5.040 2.648 2.096 3.234 . 0 0 "[ . 1 .]" 1
446 1 67 PHE QE 1 91 TYR QE 1.800 . 3.780 2.984 2.560 3.054 . 0 0 "[ . 1 .]" 1
447 1 72 SER HA 1 76 PHE QE 1.800 . 5.612 4.893 4.175 5.097 . 0 0 "[ . 1 .]" 1
448 1 37 TYR QE 1 55 LYS QD 1.800 . 6.300 4.277 2.465 5.020 . 0 0 "[ . 1 .]" 1
449 1 37 TYR QD 1 97 THR HA 1.800 . 4.490 2.875 2.058 4.041 . 0 0 "[ . 1 .]" 1
450 1 42 LEU HB3 1 91 TYR QE 1.800 . 4.490 3.996 3.723 4.054 . 0 0 "[ . 1 .]" 1
451 1 54 TYR QD 1 60 PHE HA 1.800 . 5.612 2.988 2.223 4.098 . 0 0 "[ . 1 .]" 1
452 1 2 VAL MG1 1 26 SER H 1.800 . 4.804 2.458 1.881 3.030 . 0 0 "[ . 1 .]" 1
453 1 2 VAL H 1 102 THR MG 1.800 . 4.804 2.969 1.741 4.026 0.059 11 0 "[ . 1 .]" 1
454 1 5 THR H 1 24 ARG H 1.800 . 4.000 3.447 2.724 4.032 0.032 7 0 "[ . 1 .]" 1
455 1 6 GLN HA 1 24 ARG H 1.800 . 5.000 3.527 2.339 4.041 . 0 0 "[ . 1 .]" 1
456 1 6 GLN QB 1 106 GLY H 1.800 . 5.612 2.664 1.738 4.625 0.062 3 0 "[ . 1 .]" 1
457 1 6 GLN QG 1 106 GLY H 1.800 . 5.612 2.877 1.890 4.014 . 0 0 "[ . 1 .]" 1
458 1 7 THR H 1 23 CYS HA 1.800 . 4.000 3.401 3.137 3.642 . 0 0 "[ . 1 .]" 1
459 1 12 PRO HA 1 110 GLU H 1.800 . 4.000 3.891 3.419 4.032 0.032 6 0 "[ . 1 .]" 1
460 1 13 VAL H 1 110 GLU H 1.800 . 5.000 4.650 4.197 4.899 . 0 0 "[ . 1 .]" 1
461 1 13 VAL H 1 112 LYS QB 1.800 . 5.612 3.952 3.008 4.754 . 0 0 "[ . 1 .]" 1
462 1 13 VAL H 1 112 LYS QG 1.800 . 5.612 4.186 2.852 5.005 . 0 0 "[ . 1 .]" 1
463 1 13 VAL H 1 112 LYS H 1.800 . 4.000 3.290 2.278 3.848 . 0 0 "[ . 1 .]" 1
464 1 15 LEU MD1 1 85 ALA H 1.800 . 4.804 2.967 2.013 4.028 . 0 0 "[ . 1 .]" 1
465 1 15 LEU MD2 1 85 ALA H 1.800 . 4.804 2.951 2.129 3.607 . 0 0 "[ . 1 .]" 1
466 1 16 GLY H 1 83 VAL HB 1.800 . 3.000 2.616 2.170 3.006 0.006 13 0 "[ . 1 .]" 1
467 1 16 GLY H 1 83 VAL QG 1.800 . 5.392 3.394 3.148 3.617 . 0 0 "[ . 1 .]" 1
468 1 16 GLY H 1 83 VAL H 1.800 . 4.000 3.044 2.443 3.857 . 0 0 "[ . 1 .]" 1
469 1 17 ASP H 1 83 VAL HB 1.800 . 4.000 3.470 2.502 4.026 0.026 2 0 "[ . 1 .]" 1
470 1 17 ASP H 1 83 VAL QG 1.800 . 5.392 3.870 3.438 4.012 . 0 0 "[ . 1 .]" 1
471 1 17 ASP H 1 83 VAL H 1.800 . 4.000 3.677 2.954 3.992 . 0 0 "[ . 1 .]" 1
472 1 18 GLN QB 1 80 ILE H 1.800 . 5.612 4.129 3.560 4.834 . 0 0 "[ . 1 .]" 1
473 1 19 ALA H 1 80 ILE HB 1.800 . 3.000 2.590 2.248 3.017 0.017 8 0 "[ . 1 .]" 1
474 1 19 ALA H 1 81 SER HA 1.800 . 5.000 4.506 4.050 5.026 0.026 1 0 "[ . 1 .]" 1
475 1 19 ALA H 1 83 VAL QG 1.800 . 5.392 3.136 2.426 3.802 . 0 0 "[ . 1 .]" 1
476 1 20 SER HA 1 80 ILE H 1.800 . 5.000 3.628 3.226 3.990 . 0 0 "[ . 1 .]" 1
477 1 21 ILE H 1 78 LEU H 1.800 . 4.000 3.020 2.644 3.442 . 0 0 "[ . 1 .]" 1
478 1 22 SER HA 1 78 LEU H 1.800 . 5.000 3.798 3.591 4.047 . 0 0 "[ . 1 .]" 1
479 1 23 CYS H 1 76 PHE H 1.800 . 4.000 3.278 2.631 3.893 . 0 0 "[ . 1 .]" 1
480 1 24 ARG HA 1 76 PHE H 1.800 . 4.000 3.128 2.663 3.562 . 0 0 "[ . 1 .]" 1
481 1 25 SER H 1 74 THR HB 1.800 . 5.000 2.963 2.061 4.008 . 0 0 "[ . 1 .]" 1
482 1 31 HIS HB3 1 35 ASN H 1.800 . 4.000 3.628 2.887 4.026 0.026 2 0 "[ . 1 .]" 1
483 1 31 HIS HB2 1 35 ASN H 1.800 . 5.000 4.206 3.058 4.844 . 0 0 "[ . 1 .]" 1
484 1 37 TYR HB2 1 97 THR H 1.800 . 5.000 3.556 2.747 4.411 . 0 0 "[ . 1 .]" 1
485 1 37 TYR H 1 97 THR MG 1.800 . 6.005 3.197 1.662 3.933 0.138 6 0 "[ . 1 .]" 1
486 1 38 LEU QD 1 56 VAL H 1.800 . 6.740 3.831 3.156 4.997 . 0 0 "[ . 1 .]" 1
487 1 38 LEU QD 1 94 SER H 1.800 . 5.392 3.756 3.170 4.028 . 0 0 "[ . 1 .]" 1
488 1 40 TRP H 1 51 LEU QD 1.800 . 5.392 2.808 2.145 3.568 . 0 0 "[ . 1 .]" 1
489 1 40 TRP H 1 53 ILE HB 1.800 . 4.000 3.242 2.603 3.885 . 0 0 "[ . 1 .]" 1
490 1 40 TRP H 1 53 ILE H 1.800 . 4.000 3.255 2.185 3.917 . 0 0 "[ . 1 .]" 1
491 1 40 TRP HE1 1 76 PHE HB3 1.800 . 5.000 3.176 2.676 3.550 . 0 0 "[ . 1 .]" 1
492 1 40 TRP HZ2 1 78 LEU H 1.800 . 4.000 3.214 2.731 3.808 . 0 0 "[ . 1 .]" 1
493 1 40 TRP HZ3 1 92 PHE H 1.800 . 5.000 4.213 3.581 4.619 . 0 0 "[ . 1 .]" 1
494 1 41 TYR HA 1 52 LEU H 1.800 . 4.000 3.423 2.919 3.969 . 0 0 "[ . 1 .]" 1
495 1 42 LEU H 1 52 LEU QD 1.800 . 6.740 3.639 2.906 4.533 . 0 0 "[ . 1 .]" 1
496 1 42 LEU QD 1 90 ILE H 1.800 . 5.392 3.011 2.608 3.545 . 0 0 "[ . 1 .]" 1
497 1 43 GLN H 1 90 ILE H 1.800 . 5.000 3.568 3.160 4.052 . 0 0 "[ . 1 .]" 1
498 1 53 ILE MG 1 58 ASN H 1.800 . 4.804 2.538 1.784 3.630 0.016 4 0 "[ . 1 .]" 1
499 1 53 ILE HA 1 60 PHE H 1.800 . 4.000 3.255 2.610 3.932 . 0 0 "[ . 1 .]" 1
500 1 53 ILE QG 1 60 PHE H 1.800 . 5.612 4.897 4.264 5.048 . 0 0 "[ . 1 .]" 1
501 1 53 ILE MD 1 69 GLY H 1.800 . 4.804 2.591 1.842 3.888 . 0 0 "[ . 1 .]" 1
502 1 54 TYR H 1 58 ASN H 1.800 . 5.000 4.281 2.877 5.045 0.045 14 0 "[ . 1 .]" 1
503 1 63 VAL MG1 1 67 PHE H 1.800 . 4.804 3.335 2.651 4.037 . 0 0 "[ . 1 .]" 1
504 1 66 ARG QB 1 81 SER H 1.800 . 4.490 2.790 2.048 4.007 . 0 0 "[ . 1 .]" 1
505 1 69 GLY QA 1 79 LYS H 1.800 . 4.490 3.065 2.412 3.707 . 0 0 "[ . 1 .]" 1
506 1 88 LEU MD2 1 111 ILE H 1.800 . 4.804 2.151 1.787 2.677 0.013 1 0 "[ . 1 .]" 1
507 1 89 GLY H 1 109 LEU QB 1.800 . 3.367 2.716 2.320 3.030 . 0 0 "[ . 1 .]" 1
508 1 89 GLY H 1 109 LEU H 1.800 . 4.000 3.558 3.024 3.966 . 0 0 "[ . 1 .]" 1
509 1 90 ILE MG 1 107 THR H 1.800 . 4.804 2.962 2.411 3.993 . 0 0 "[ . 1 .]" 1
510 1 91 TYR H 1 107 THR H 1.800 . 4.000 3.192 2.562 3.843 . 0 0 "[ . 1 .]" 1
511 1 91 TYR H 1 108 LYS HA 1.800 . 4.000 3.628 2.766 4.035 0.035 11 0 "[ . 1 .]" 1
512 1 91 TYR QD 1 109 LEU H 1.800 . 5.612 4.147 2.713 4.802 . 0 0 "[ . 1 .]" 1
513 1 92 PHE HA 1 106 GLY H 1.800 . 5.000 3.052 1.967 4.205 . 0 0 "[ . 1 .]" 1
514 1 93 CYS H 1 104 GLY H 1.800 . 5.000 3.846 3.412 5.028 0.028 8 0 "[ . 1 .]" 1
515 1 95 GLN QE 1 102 THR H 1.800 . 4.490 3.070 1.994 4.018 . 0 0 "[ . 1 .]" 1
516 1 95 GLN QG 1 102 THR H 1.800 . 4.490 2.809 2.325 4.036 . 0 0 "[ . 1 .]" 1
517 1 95 GLN H 1 102 THR H 1.800 . 4.000 3.857 3.607 4.067 0.067 14 0 "[ . 1 .]" 1
518 1 3 VAL HB 1 26 SER H 1.800 . 4.000 3.636 2.993 4.042 0.042 8 0 "[ . 1 .]" 1
519 1 8 PRO QD 1 22 SER H 1.800 . 5.612 2.721 2.466 3.397 . 0 0 "[ . 1 .]" 1
520 1 10 SER HA 1 108 LYS H 1.800 . 3.000 2.727 2.091 3.053 0.053 1 0 "[ . 1 .]" 1
521 1 16 GLY QA 1 83 VAL H 1.800 . 5.612 3.642 2.911 4.238 . 0 0 "[ . 1 .]" 1
522 1 38 LEU H 1 56 VAL H 1.800 . 5.000 3.579 2.598 4.814 . 0 0 "[ . 1 .]" 1
523 1 41 TYR QB 1 92 PHE H 1.800 . 5.612 3.511 3.185 4.300 . 0 0 "[ . 1 .]" 1
524 1 2 VAL MG1 1 27 GLN H 1.800 . 5.404 2.307 1.663 3.196 0.137 14 0 "[ . 1 .]" 1
525 1 2 VAL MG2 1 27 GLN QE 1.800 . 8.088 4.512 2.191 5.628 . 0 0 "[ . 1 .]" 1
526 1 2 VAL MG2 1 27 GLN H 1.800 . 7.206 3.736 2.653 4.777 . 0 0 "[ . 1 .]" 1
527 1 3 VAL H 1 26 SER HA 1.800 . 6.000 4.929 3.850 5.939 . 0 0 "[ . 1 .]" 1
528 1 3 VAL H 1 26 SER H 1.800 . 6.000 3.576 2.939 4.563 . 0 0 "[ . 1 .]" 1
529 1 4 MET HA 1 26 SER H 1.800 . 6.000 3.648 2.603 4.378 . 0 0 "[ . 1 .]" 1
530 1 4 MET ME 1 94 SER H 1.800 . 7.206 4.230 3.759 5.098 . 0 0 "[ . 1 .]" 1
531 1 5 THR HB 1 24 ARG H 1.800 . 6.000 3.346 2.814 4.348 . 0 0 "[ . 1 .]" 1
532 1 6 GLN QB 1 105 GLY H 1.800 . 6.735 4.053 1.718 4.843 0.082 3 0 "[ . 1 .]" 1
533 1 6 GLN QG 1 105 GLY H 1.800 . 6.735 4.802 3.107 6.031 . 0 0 "[ . 1 .]" 1
534 1 6 GLN H 1 105 GLY H 1.800 . 6.000 5.572 3.288 6.037 0.037 15 0 "[ . 1 .]" 1
535 1 7 THR H 1 24 ARG H 1.800 . 6.000 4.943 4.413 5.383 . 0 0 "[ . 1 .]" 1
536 1 11 LEU H 1 108 LYS H 1.800 . 6.000 4.295 3.633 4.747 . 0 0 "[ . 1 .]" 1
537 1 11 LEU H 1 110 GLU H 1.800 . 6.000 3.548 2.998 4.334 . 0 0 "[ . 1 .]" 1
538 1 12 PRO HA 1 111 ILE H 1.800 . 6.000 4.656 3.645 5.416 . 0 0 "[ . 1 .]" 1
539 1 12 PRO HA 1 112 LYS H 1.800 . 6.000 4.282 3.348 4.810 . 0 0 "[ . 1 .]" 1
540 1 12 PRO HB3 1 113 ARG H 1.800 . 6.000 4.137 2.282 6.015 0.015 9 0 "[ . 1 .]" 1
541 1 13 VAL HB 1 17 ASP H 1.800 . 6.000 4.641 4.117 5.001 . 0 0 "[ . 1 .]" 1
542 1 17 ASP QB 1 83 VAL H 1.800 . 6.735 4.498 4.055 4.794 . 0 0 "[ . 1 .]" 1
543 1 18 GLN H 1 83 VAL QG 1.800 . 8.088 4.235 3.359 4.908 . 0 0 "[ . 1 .]" 1
544 1 19 ALA H 1 79 LYS HA 1.800 . 6.000 4.345 4.017 4.869 . 0 0 "[ . 1 .]" 1
545 1 21 ILE H 1 79 LYS HA 1.800 . 6.000 3.847 3.338 4.381 . 0 0 "[ . 1 .]" 1
546 1 23 CYS H 1 40 TRP HH2 1.800 . 6.000 4.427 3.684 4.898 . 0 0 "[ . 1 .]" 1
547 1 23 CYS QB 1 76 PHE H 1.800 . 6.735 3.929 3.571 4.416 . 0 0 "[ . 1 .]" 1
548 1 24 ARG HA 1 75 ASP H 1.800 . 6.000 4.678 3.990 5.285 . 0 0 "[ . 1 .]" 1
549 1 24 ARG QG 1 76 PHE H 1.800 . 6.735 3.703 2.961 4.805 . 0 0 "[ . 1 .]" 1
550 1 25 SER H 1 74 THR HA 1.800 . 6.000 3.131 2.512 4.291 . 0 0 "[ . 1 .]" 1
551 1 25 SER H 1 75 ASP HA 1.800 . 6.000 3.988 3.540 4.601 . 0 0 "[ . 1 .]" 1
552 1 25 SER H 1 75 ASP H 1.800 . 6.000 4.702 4.085 5.820 . 0 0 "[ . 1 .]" 1
553 1 25 SER QB 1 95 GLN QE 1.800 . 7.560 4.914 3.131 6.040 . 0 0 "[ . 1 .]" 1
554 1 30 VAL MG1 1 34 GLY H 1.800 . 7.206 3.487 2.036 5.671 . 0 0 "[ . 1 .]" 1
555 1 30 VAL MG2 1 73 GLY H 1.800 . 7.206 4.687 3.685 5.626 . 0 0 "[ . 1 .]" 1
556 1 30 VAL H 1 73 GLY QA 1.800 . 6.735 4.879 4.236 5.409 . 0 0 "[ . 1 .]" 1
557 1 32 SER H 1 97 THR MG 1.800 . 7.206 5.022 4.344 5.804 . 0 0 "[ . 1 .]" 1
558 1 37 TYR HB3 1 96 THR H 1.800 . 6.000 3.662 2.882 4.800 . 0 0 "[ . 1 .]" 1
559 1 37 TYR HB3 1 97 THR H 1.800 . 6.000 4.437 3.157 5.924 . 0 0 "[ . 1 .]" 1
560 1 37 TYR QD 1 97 THR H 1.800 . 6.735 4.643 3.888 5.205 . 0 0 "[ . 1 .]" 1
561 1 37 TYR QD 1 98 HIS H 1.800 . 6.735 5.866 5.412 6.085 . 0 0 "[ . 1 .]" 1
562 1 40 TRP H 1 51 LEU HA 1.800 . 6.000 5.108 3.987 5.958 . 0 0 "[ . 1 .]" 1
563 1 40 TRP HB3 1 53 ILE H 1.800 . 6.000 3.412 2.969 4.034 . 0 0 "[ . 1 .]" 1
564 1 40 TRP HE1 1 53 ILE MG 1.800 . 7.206 4.184 3.375 4.573 . 0 0 "[ . 1 .]" 1
565 1 40 TRP H 1 53 ILE MG 1.800 . 7.206 4.020 3.459 4.722 . 0 0 "[ . 1 .]" 1
566 1 40 TRP H 1 54 TYR HA 1.800 . 6.000 3.458 3.131 3.814 . 0 0 "[ . 1 .]" 1
567 1 41 TYR HA 1 50 LYS H 1.800 . 6.000 5.253 4.142 6.041 0.041 5 0 "[ . 1 .]" 1
568 1 41 TYR QD 1 104 GLY H 1.800 . 6.735 5.942 5.425 6.037 . 0 0 "[ . 1 .]" 1
569 1 42 LEU H 1 51 LEU HA 1.800 . 6.000 4.135 3.420 4.607 . 0 0 "[ . 1 .]" 1
570 1 42 LEU QD 1 89 GLY H 1.800 . 8.088 4.135 3.672 4.504 . 0 0 "[ . 1 .]" 1
571 1 42 LEU H 1 91 TYR QE 1.800 . 6.735 5.392 4.625 5.910 . 0 0 "[ . 1 .]" 1
572 1 42 LEU HA 1 92 PHE H 1.800 . 6.000 3.134 2.541 3.739 . 0 0 "[ . 1 .]" 1
573 1 43 GLN QB 1 90 ILE H 1.800 . 6.735 3.541 2.600 5.568 . 0 0 "[ . 1 .]" 1
574 1 53 ILE MG 1 57 SER H 1.800 . 7.206 2.465 1.567 3.351 0.233 5 0 "[ . 1 .]" 1
575 1 53 ILE MD 1 60 PHE H 1.800 . 7.206 3.764 3.351 4.395 . 0 0 "[ . 1 .]" 1
576 1 53 ILE MG 1 69 GLY H 1.800 . 7.206 3.288 2.073 4.118 . 0 0 "[ . 1 .]" 1
577 1 53 ILE QG 1 79 LYS H 1.800 . 6.735 5.423 4.913 5.871 . 0 0 "[ . 1 .]" 1
578 1 54 TYR QD 1 59 ARG H 1.800 . 6.735 5.105 3.753 5.926 . 0 0 "[ . 1 .]" 1
579 1 54 TYR H 1 60 PHE H 1.800 . 6.000 4.423 3.558 5.358 . 0 0 "[ . 1 .]" 1
580 1 56 VAL QG 1 71 GLY H 1.800 . 6.066 2.753 1.763 3.545 0.037 8 0 "[ . 1 .]" 1
581 1 59 ARG QB 1 63 VAL H 1.800 . 6.735 4.236 3.825 4.978 . 0 0 "[ . 1 .]" 1
582 1 59 ARG H 1 63 VAL HB 1.800 . 6.000 5.552 5.279 6.061 0.061 13 0 "[ . 1 .]" 1
583 1 66 ARG H 1 82 ARG QG 1.800 . 6.735 6.003 5.681 6.098 . 0 0 "[ . 1 .]" 1
584 1 67 PHE H 1 80 ILE HA 1.800 . 6.000 4.791 4.438 5.026 . 0 0 "[ . 1 .]" 1
585 1 67 PHE HA 1 81 SER H 1.800 . 6.000 3.831 3.306 4.379 . 0 0 "[ . 1 .]" 1
586 1 67 PHE HZ 1 87 ASP H 1.800 . 6.000 5.156 4.100 6.025 0.025 15 0 "[ . 1 .]" 1
587 1 68 SER H 1 78 LEU QD 1.800 . 8.088 3.480 2.352 4.268 . 0 0 "[ . 1 .]" 1
588 1 70 SER H 1 78 LEU HA 1.800 . 6.000 3.858 3.442 4.062 . 0 0 "[ . 1 .]" 1
589 1 71 GLY QA 1 77 THR H 1.800 . 6.735 3.542 3.227 4.117 . 0 0 "[ . 1 .]" 1
590 1 72 SER H 1 76 PHE HA 1.800 . 4.500 3.990 3.378 4.584 0.084 14 0 "[ . 1 .]" 1
591 1 90 ILE MG 1 106 GLY H 1.800 . 7.206 4.474 3.743 5.999 . 0 0 "[ . 1 .]" 1
592 1 91 TYR QB 1 107 THR H 1.800 . 6.735 3.545 3.176 4.216 . 0 0 "[ . 1 .]" 1
593 1 91 TYR H 1 107 THR HB 1.800 . 6.000 3.279 2.773 4.168 . 0 0 "[ . 1 .]" 1
594 1 92 PHE HB3 1 106 GLY H 1.800 . 6.000 4.949 3.602 6.072 0.072 14 0 "[ . 1 .]" 1
595 1 93 CYS H 1 106 GLY H 1.800 . 6.000 4.578 3.667 5.487 . 0 0 "[ . 1 .]" 1
596 1 94 SER HA 1 104 GLY H 1.800 . 6.000 3.495 1.931 4.969 . 0 0 "[ . 1 .]" 1
597 1 1 ASP QB 1 95 GLN QE 1.800 . 7.560 4.438 2.600 5.916 . 0 0 "[ . 1 .]" 1
598 1 5 THR MG 1 24 ARG H 1.800 . 7.206 4.369 4.027 4.695 . 0 0 "[ . 1 .]" 1
599 1 5 THR H 1 25 SER HA 1.800 . 6.000 3.620 2.861 4.196 . 0 0 "[ . 1 .]" 1
600 1 6 GLN H 1 23 CYS HA 1.800 . 6.000 4.670 4.269 4.994 . 0 0 "[ . 1 .]" 1
601 1 13 VAL H 1 112 LYS HA 1.800 . 6.000 3.792 3.020 5.233 . 0 0 "[ . 1 .]" 1
602 1 19 ALA H 1 80 ILE H 1.800 . 3.000 2.634 2.175 3.045 0.045 11 0 "[ . 1 .]" 1
603 1 21 ILE H 1 77 THR HB 1.800 . 6.000 5.977 5.640 6.078 0.078 8 0 "[ . 1 .]" 1
604 1 22 SER HA 1 76 PHE H 1.800 . 6.000 4.969 4.418 5.733 . 0 0 "[ . 1 .]" 1
605 1 25 SER H 1 74 THR MG 1.800 . 7.206 4.115 3.547 4.610 . 0 0 "[ . 1 .]" 1
606 1 40 TRP HB2 1 53 ILE H 1.800 . 6.000 2.147 1.793 2.600 0.007 4 0 "[ . 1 .]" 1
607 1 52 LEU H 1 60 PHE HB2 1.800 . 6.000 5.186 4.596 5.954 . 0 0 "[ . 1 .]" 1
608 1 68 SER H 1 79 LYS QB 1.800 . 6.735 3.991 3.449 4.918 . 0 0 "[ . 1 .]" 1
609 1 1 ASP QB 1 102 THR MG 1.800 . 4.044 2.502 1.803 3.032 . 0 0 "[ . 1 .]" 1
610 1 2 VAL MG1 1 25 SER HA 1.800 . 4.804 3.313 2.639 3.940 . 0 0 "[ . 1 .]" 1
611 1 2 VAL MG1 1 25 SER QB 1.800 . 4.044 2.505 1.890 3.040 . 0 0 "[ . 1 .]" 1
612 1 2 VAL MG2 1 27 GLN HB2 1.800 . 4.804 3.445 1.989 4.008 . 0 0 "[ . 1 .]" 1
613 1 2 VAL HB 1 29 LEU MD2 1.800 . 4.804 3.398 2.628 4.010 . 0 0 "[ . 1 .]" 1
614 1 2 VAL MG1 1 98 HIS HD2 1.800 . 4.804 3.781 2.998 4.074 . 0 0 "[ . 1 .]" 1
615 1 2 VAL MG2 1 98 HIS HB3 1.800 . 4.804 3.058 2.343 3.711 . 0 0 "[ . 1 .]" 1
616 1 2 VAL MG2 1 98 HIS HB2 1.800 . 3.603 2.924 2.229 3.045 . 0 0 "[ . 1 .]" 1
617 1 3 VAL HA 1 102 THR MG 1.800 . 4.804 3.570 2.441 4.026 . 0 0 "[ . 1 .]" 1
618 1 4 MET HA 1 25 SER HA 1.800 . 3.000 2.437 1.994 2.935 . 0 0 "[ . 1 .]" 1
619 1 4 MET ME 1 25 SER HA 1.800 . 4.804 3.761 2.741 4.020 . 0 0 "[ . 1 .]" 1
620 1 4 MET ME 1 25 SER QB 1.800 . 5.392 3.252 2.667 3.834 . 0 0 "[ . 1 .]" 1
621 1 4 MET ME 1 38 LEU QD 1.800 . 4.047 2.309 1.930 2.519 . 0 0 "[ . 1 .]" 1
622 1 4 MET ME 1 94 SER HA 1.800 . 4.804 3.462 2.522 4.014 . 0 0 "[ . 1 .]" 1
623 1 5 THR HB 1 24 ARG QB 1.800 . 4.490 3.008 2.213 4.025 . 0 0 "[ . 1 .]" 1
624 1 6 GLN HA 1 23 CYS HA 1.800 . 2.500 2.253 1.894 2.550 0.050 9 0 "[ . 1 .]" 1
625 1 6 GLN QG 1 23 CYS HA 1.800 . 4.490 3.462 2.515 4.058 . 0 0 "[ . 1 .]" 1
626 1 7 THR HB 1 22 SER QB 1.800 . 3.370 3.011 2.689 3.064 . 0 0 "[ . 1 .]" 1
627 1 8 PRO QD 1 21 ILE HA 1.800 . 2.806 2.547 2.510 2.585 . 0 0 "[ . 1 .]" 1
628 1 8 PRO QD 1 107 THR MG 1.800 . 3.370 2.442 2.007 2.529 . 0 0 "[ . 1 .]" 1
629 1 9 LEU HA 1 107 THR HA 1.800 . 3.000 2.945 2.474 3.046 0.046 14 0 "[ . 1 .]" 1
630 1 10 SER HA 1 107 THR MG 1.800 . 4.803 3.394 2.718 3.859 . 0 0 "[ . 1 .]" 1
631 1 11 LEU MD2 1 19 ALA HA 1.800 . 4.804 2.659 2.284 3.098 . 0 0 "[ . 1 .]" 1
632 1 11 LEU HB2 1 109 LEU HA 1.800 . 4.000 3.814 3.122 4.046 0.046 7 0 "[ . 1 .]" 1
633 1 11 LEU MD2 1 109 LEU HA 1.800 . 6.000 4.163 3.606 4.961 . 0 0 "[ . 1 .]" 1
634 1 12 PRO HB3 1 112 LYS HA 1.800 . 4.000 2.906 2.034 4.004 0.004 13 0 "[ . 1 .]" 1
635 1 13 VAL HB 1 17 ASP QB 1.800 . 4.480 2.890 2.234 3.292 . 0 0 "[ . 1 .]" 1
636 1 13 VAL MG2 1 111 ILE HA 1.800 . 3.603 2.812 2.214 3.035 . 0 0 "[ . 1 .]" 1
637 1 15 LEU HA 1 83 VAL QG 1.800 . 4.480 2.971 2.156 3.340 . 0 0 "[ . 1 .]" 1
638 1 15 LEU MD2 1 84 GLU HA 1.800 . 4.804 2.448 2.020 3.156 . 0 0 "[ . 1 .]" 1
639 1 15 LEU MD2 1 85 ALA HA 1.800 . 3.002 2.307 2.050 2.521 . 0 0 "[ . 1 .]" 1
640 1 17 ASP QB 1 83 VAL QG 1.800 . 6.052 3.553 3.336 3.774 . 0 0 "[ . 1 .]" 1
641 1 18 GLN HA 1 81 SER HA 1.800 . 4.000 3.607 2.981 4.015 0.015 2 0 "[ . 1 .]" 1
642 1 18 GLN QG 1 81 SER HA 1.800 . 3.367 2.342 2.014 3.089 . 0 0 "[ . 1 .]" 1
643 1 18 GLN QG 1 81 SER QB 1.800 . 5.040 3.910 3.134 4.084 . 0 0 "[ . 1 .]" 1
644 1 18 GLN HA 1 82 ARG HA 1.800 . 4.000 3.797 3.049 4.064 0.064 15 0 "[ . 1 .]" 1
645 1 18 GLN HA 1 83 VAL QG 1.800 . 5.392 2.959 2.136 3.688 . 0 0 "[ . 1 .]" 1
646 1 19 ALA MB 1 80 ILE HB 1.800 . 4.804 2.210 1.948 2.583 . 0 0 "[ . 1 .]" 1
647 1 19 ALA MB 1 80 ILE MD 1.800 . 3.606 2.105 1.812 2.403 . 0 0 "[ . 1 .]" 1
648 1 19 ALA MB 1 80 ILE MG 1.800 . 5.390 3.463 3.057 3.754 . 0 0 "[ . 1 .]" 1
649 1 20 SER HA 1 77 THR MG 1.800 . 3.603 2.963 2.697 3.073 . 0 0 "[ . 1 .]" 1
650 1 20 SER QB 1 77 THR MG 1.800 . 3.370 2.404 2.088 2.542 . 0 0 "[ . 1 .]" 1
651 1 20 SER HA 1 79 LYS HA 1.800 . 2.500 2.285 1.982 2.556 0.056 12 0 "[ . 1 .]" 1
652 1 20 SER QB 1 79 LYS HA 1.800 . 4.490 3.531 2.838 4.035 . 0 0 "[ . 1 .]" 1
653 1 20 SER QB 1 79 LYS QG 1.800 . 6.300 3.342 2.033 5.010 . 0 0 "[ . 1 .]" 1
654 1 21 ILE MG 1 40 TRP HZ3 1.800 . 4.804 2.754 2.190 3.012 . 0 0 "[ . 1 .]" 1
655 1 21 ILE MD 1 91 TYR QB 1.800 . 4.044 2.455 1.914 2.860 . 0 0 "[ . 1 .]" 1
656 1 21 ILE MD 1 107 THR HB 1.800 . 4.800 3.669 2.155 4.022 . 0 0 "[ . 1 .]" 1
657 1 21 ILE MG 1 107 THR HB 1.800 . 3.002 2.323 1.940 2.524 . 0 0 "[ . 1 .]" 1
658 1 22 SER HA 1 40 TRP HH2 1.800 . 4.000 3.978 3.790 4.053 0.053 2 0 "[ . 1 .]" 1
659 1 22 SER HA 1 77 THR HA 1.800 . 3.000 2.367 2.053 2.623 . 0 0 "[ . 1 .]" 1
660 1 22 SER HA 1 77 THR MG 1.800 . 3.603 2.711 2.188 3.039 . 0 0 "[ . 1 .]" 1
661 1 22 SER QB 1 77 THR HA 1.800 . 5.390 4.410 4.067 4.744 . 0 0 "[ . 1 .]" 1
662 1 24 ARG HA 1 75 ASP HA 1.800 . 3.000 2.696 2.191 3.038 0.038 6 0 "[ . 1 .]" 1
663 1 24 ARG QG 1 75 ASP HA 1.800 . 4.490 2.856 2.047 3.991 . 0 0 "[ . 1 .]" 1
664 1 25 SER QB 1 29 LEU MD1 1.800 . 4.044 2.623 2.019 3.031 . 0 0 "[ . 1 .]" 1
665 1 25 SER QB 1 29 LEU MD2 1.800 . 4.044 2.531 2.051 3.016 . 0 0 "[ . 1 .]" 1
666 1 25 SER QB 1 74 THR HA 1.800 . 4.490 3.025 2.150 3.822 . 0 0 "[ . 1 .]" 1
667 1 27 GLN HA 1 74 THR MG 1.800 . 4.804 3.405 2.625 4.027 . 0 0 "[ . 1 .]" 1
668 1 28 SER HA 1 74 THR MG 1.800 . 3.002 2.093 1.822 2.424 . 0 0 "[ . 1 .]" 1
669 1 29 LEU MD1 1 38 LEU QD 1.800 . 4.047 2.110 1.703 2.534 0.097 5 0 "[ . 1 .]" 1
670 1 29 LEU MD1 1 76 PHE QD 1.800 . 5.392 3.384 3.003 3.805 . 0 0 "[ . 1 .]" 1
671 1 29 LEU MD1 1 76 PHE HZ 1.800 . 3.603 2.654 2.130 3.011 . 0 0 "[ . 1 .]" 1
672 1 29 LEU MD1 1 95 GLN HA 1.800 . 4.804 3.572 2.872 4.020 . 0 0 "[ . 1 .]" 1
673 1 29 LEU MD1 1 95 GLN QB 1.800 . 4.044 2.136 1.885 2.373 . 0 0 "[ . 1 .]" 1
674 1 29 LEU MD1 1 95 GLN QG 1.800 . 5.392 3.663 3.101 4.009 . 0 0 "[ . 1 .]" 1
675 1 29 LEU MD2 1 95 GLN QB 1.800 . 5.392 2.063 1.729 2.362 0.071 13 0 "[ . 1 .]" 1
676 1 29 LEU MD2 1 95 GLN QG 1.800 . 5.392 2.871 1.855 3.518 . 0 0 "[ . 1 .]" 1
677 1 29 LEU HA 1 97 THR MG 1.800 . 4.800 2.738 2.082 3.878 . 0 0 "[ . 1 .]" 1
678 1 29 LEU HB2 1 97 THR MG 1.800 . 4.800 4.037 3.999 4.075 . 0 0 "[ . 1 .]" 1
679 1 30 VAL MG1 1 34 GLY QA 1.800 . 5.390 3.355 2.015 4.055 . 0 0 "[ . 1 .]" 1
680 1 30 VAL HA 1 36 THR HA 1.800 . 3.000 2.666 2.110 3.020 0.020 7 0 "[ . 1 .]" 1
681 1 30 VAL MG2 1 73 GLY QA 1.800 . 4.044 2.935 2.616 3.026 . 0 0 "[ . 1 .]" 1
682 1 31 HIS HA 1 97 THR MG 1.800 . 4.800 3.053 2.407 3.893 . 0 0 "[ . 1 .]" 1
683 1 31 HIS HB2 1 97 THR MG 1.800 . 4.804 3.002 2.179 3.867 . 0 0 "[ . 1 .]" 1
684 1 31 HIS HD2 1 97 THR HA 1.800 . 4.000 3.508 2.691 4.022 0.022 2 0 "[ . 1 .]" 1
685 1 36 THR HB 1 56 VAL QG 1.800 . 4.800 2.889 1.995 3.587 . 0 0 "[ . 1 .]" 1
686 1 37 TYR QD 1 97 THR MG 1.800 . 5.392 2.569 1.880 3.856 . 0 0 "[ . 1 .]" 1
687 1 38 LEU QB 1 56 VAL HA 1.800 . 4.490 3.094 2.264 3.725 . 0 0 "[ . 1 .]" 1
688 1 38 LEU QD 1 56 VAL HA 1.800 . 4.044 2.990 2.506 3.073 . 0 0 "[ . 1 .]" 1
689 1 38 LEU QD 1 76 PHE HB3 1.800 . 4.044 2.328 1.925 2.783 . 0 0 "[ . 1 .]" 1
690 1 38 LEU QD 1 76 PHE HZ 1.800 . 5.392 3.632 3.226 3.981 . 0 0 "[ . 1 .]" 1
691 1 38 LEU QD 1 93 CYS QB 1.800 . 6.052 2.990 2.181 3.383 . 0 0 "[ . 1 .]" 1
692 1 38 LEU HA 1 95 GLN HA 1.800 . 4.000 2.433 2.181 2.997 . 0 0 "[ . 1 .]" 1
693 1 38 LEU QD 1 95 GLN HA 1.800 . 5.392 3.232 2.300 4.016 . 0 0 "[ . 1 .]" 1
694 1 39 ASN HA 1 51 LEU MD1 1.800 . 4.804 3.442 2.745 4.030 . 0 0 "[ . 1 .]" 1
695 1 39 ASN QB 1 51 LEU MD1 1.800 . 4.044 2.817 1.969 3.056 . 0 0 "[ . 1 .]" 1
696 1 39 ASN QD 1 51 LEU MD1 1.800 . 4.044 2.685 1.631 3.032 0.169 14 0 "[ . 1 .]" 1
697 1 39 ASN HA 1 53 ILE MG 1.800 . 4.804 3.741 2.821 4.046 . 0 0 "[ . 1 .]" 1
698 1 39 ASN HA 1 54 TYR HA 1.800 . 2.500 2.071 1.818 2.352 . 0 0 "[ . 1 .]" 1
699 1 40 TRP H 1 51 LEU MD1 1.800 . 6.005 2.825 2.151 3.612 . 0 0 "[ . 1 .]" 1
700 1 40 TRP HB3 1 53 ILE HB 1.800 . 4.000 4.004 3.857 4.067 0.067 4 0 "[ . 1 .]" 1
701 1 40 TRP HB2 1 53 ILE HB 1.800 . 3.000 2.417 2.261 2.584 . 0 0 "[ . 1 .]" 1
702 1 40 TRP HD1 1 53 ILE HB 1.800 . 3.000 2.093 1.812 2.542 . 0 0 "[ . 1 .]" 1
703 1 40 TRP HD1 1 53 ILE MG 1.800 . 3.603 2.830 2.351 3.019 . 0 0 "[ . 1 .]" 1
704 1 40 TRP HH2 1 77 THR HA 1.800 . 4.000 3.574 3.115 4.019 0.019 13 0 "[ . 1 .]" 1
705 1 40 TRP HZ2 1 77 THR HA 1.800 . 4.000 2.782 2.443 3.553 . 0 0 "[ . 1 .]" 1
706 1 40 TRP HB3 1 78 LEU QD 1.800 . 5.392 2.265 2.018 2.458 . 0 0 "[ . 1 .]" 1
707 1 40 TRP HB3 1 78 LEU HG 1.800 . 5.000 4.813 4.086 5.049 0.049 7 0 "[ . 1 .]" 1
708 1 40 TRP HZ3 1 78 LEU QD 1.800 . 5.392 3.116 2.979 3.402 . 0 0 "[ . 1 .]" 1
709 1 41 TYR HA 1 51 LEU HA 1.800 . 3.000 2.829 2.437 3.118 0.118 5 0 "[ . 1 .]" 1
710 1 42 LEU HB3 1 52 LEU QD 1.800 . 5.392 2.599 2.082 3.468 . 0 0 "[ . 1 .]" 1
711 1 42 LEU QD 1 52 LEU QD 1.800 . 5.451 2.645 1.871 3.009 . 0 0 "[ . 1 .]" 1
712 1 42 LEU QD 1 87 ASP HA 1.800 . 4.044 2.378 2.133 2.805 . 0 0 "[ . 1 .]" 1
713 1 42 LEU QD 1 89 GLY QA 1.800 . 4.539 2.866 2.276 3.037 . 0 0 "[ . 1 .]" 1
714 1 42 LEU HA 1 91 TYR HA 1.800 . 3.000 2.330 1.964 2.647 . 0 0 "[ . 1 .]" 1
715 1 42 LEU QD 1 91 TYR QD 1.800 . 6.052 2.786 2.354 3.136 . 0 0 "[ . 1 .]" 1
716 1 42 LEU QD 1 91 TYR QE 1.800 . 4.539 2.370 2.012 2.610 . 0 0 "[ . 1 .]" 1
717 1 51 LEU MD2 1 60 PHE QD 1.800 . 6.740 2.820 2.378 3.885 . 0 0 "[ . 1 .]" 1
718 1 52 LEU HA 1 63 VAL MG1 1.800 . 3.603 2.725 2.220 3.035 . 0 0 "[ . 1 .]" 1
719 1 52 LEU HA 1 63 VAL MG2 1.800 . 3.002 1.971 1.816 2.247 . 0 0 "[ . 1 .]" 1
720 1 52 LEU QB 1 63 VAL MG1 1.800 . 6.740 2.985 2.554 3.823 . 0 0 "[ . 1 .]" 1
721 1 52 LEU QD 1 63 VAL MG1 1.800 . 4.047 2.271 1.932 2.514 . 0 0 "[ . 1 .]" 1
722 1 52 LEU QD 1 63 VAL MG2 1.800 . 4.047 2.391 2.099 2.518 . 0 0 "[ . 1 .]" 1
723 1 52 LEU QD 1 67 PHE QD 1.800 . 6.052 2.508 1.983 3.108 . 0 0 "[ . 1 .]" 1
724 1 52 LEU QD 1 67 PHE QE 1.800 . 6.052 2.672 2.111 3.341 . 0 0 "[ . 1 .]" 1
725 1 52 LEU QD 1 78 LEU QD 1.800 . 5.451 2.366 1.923 3.017 . 0 0 "[ . 1 .]" 1
726 1 52 LEU QD 1 91 TYR QD 1.800 . 5.451 3.582 3.440 3.622 . 0 0 "[ . 1 .]" 1
727 1 52 LEU QD 1 91 TYR QE 1.800 . 3.783 2.199 1.836 2.517 . 0 0 "[ . 1 .]" 1
728 1 53 ILE MD 1 57 SER HA 1.800 . 4.800 3.375 2.493 4.065 . 0 0 "[ . 1 .]" 1
729 1 53 ILE MG 1 57 SER HA 1.800 . 3.603 2.785 2.305 3.108 . 0 0 "[ . 1 .]" 1
730 1 53 ILE HA 1 59 ARG HA 1.800 . 2.500 2.527 2.449 2.600 0.100 15 0 "[ . 1 .]" 1
731 1 53 ILE MD 1 59 ARG HA 1.800 . 3.603 2.351 1.892 3.049 . 0 0 "[ . 1 .]" 1
732 1 53 ILE MD 1 59 ARG QG 1.800 . 5.392 2.237 1.827 3.101 . 0 0 "[ . 1 .]" 1
733 1 53 ILE MD 1 67 PHE HB3 1.800 . 4.804 3.010 2.284 3.947 . 0 0 "[ . 1 .]" 1
734 1 53 ILE MD 1 68 SER HA 1.800 . 3.603 2.764 2.291 3.050 . 0 0 "[ . 1 .]" 1
735 1 53 ILE MD 1 69 GLY QA 1.800 . 5.392 3.365 2.998 3.899 . 0 0 "[ . 1 .]" 1
736 1 53 ILE MG 1 69 GLY QA 1.800 . 4.044 2.878 2.343 3.030 . 0 0 "[ . 1 .]" 1
737 1 53 ILE QG 1 78 LEU HG 1.800 . 4.490 3.761 3.221 4.052 . 0 0 "[ . 1 .]" 1
738 1 54 TYR QE 1 60 PHE HA 1.800 . 3.367 2.129 1.833 2.585 . 0 0 "[ . 1 .]" 1
739 1 56 VAL QG 1 70 SER HA 1.800 . 3.370 2.476 2.198 2.567 . 0 0 "[ . 1 .]" 1
740 1 59 ARG HA 1 63 VAL MG2 1.800 . 4.804 3.370 2.674 4.037 . 0 0 "[ . 1 .]" 1
741 1 59 ARG QB 1 63 VAL HB 1.800 . 2.806 2.141 1.855 2.520 . 0 0 "[ . 1 .]" 1
742 1 59 ARG QB 1 63 VAL MG1 1.800 . 6.740 2.330 2.073 3.131 . 0 0 "[ . 1 .]" 1
743 1 59 ARG QD 1 63 VAL MG1 1.800 . 4.044 2.823 2.329 3.023 . 0 0 "[ . 1 .]" 1
744 1 59 ARG QD 1 65 ASP HA 1.800 . 3.367 2.070 1.811 2.477 . 0 0 "[ . 1 .]" 1
745 1 63 VAL MG1 1 67 PHE HB3 1.800 . 4.804 3.133 2.603 3.979 . 0 0 "[ . 1 .]" 1
746 1 63 VAL MG1 1 67 PHE HB2 1.800 . 3.603 2.195 1.855 2.773 . 0 0 "[ . 1 .]" 1
747 1 63 VAL MG1 1 67 PHE QD 1.800 . 5.392 2.811 2.376 3.386 . 0 0 "[ . 1 .]" 1
748 1 66 ARG QD 1 80 ILE MG 1.800 . 5.392 3.663 2.051 4.065 . 0 0 "[ . 1 .]" 1
749 1 66 ARG HA 1 81 SER QB 1.800 . 3.367 2.502 1.993 3.034 . 0 0 "[ . 1 .]" 1
750 1 67 PHE HA 1 78 LEU HG 1.800 . 5.000 4.530 4.014 5.035 0.035 1 0 "[ . 1 .]" 1
751 1 67 PHE HB3 1 78 LEU HG 1.800 . 5.000 4.097 3.391 4.566 . 0 0 "[ . 1 .]" 1
752 1 67 PHE QD 1 78 LEU QD 1.800 . 6.052 2.221 1.924 2.785 . 0 0 "[ . 1 .]" 1
753 1 67 PHE QD 1 78 LEU HG 1.800 . 4.490 3.545 2.872 4.028 . 0 0 "[ . 1 .]" 1
754 1 67 PHE HA 1 80 ILE HA 1.800 . 3.000 2.640 2.382 3.000 . 0 0 "[ . 1 .]" 1
755 1 67 PHE QD 1 80 ILE MD 1.800 . 5.392 3.446 2.940 3.945 . 0 0 "[ . 1 .]" 1
756 1 67 PHE QD 1 80 ILE MG 1.800 . 5.392 3.478 2.965 3.908 . 0 0 "[ . 1 .]" 1
757 1 67 PHE QE 1 80 ILE MG 1.800 . 5.392 3.101 2.585 3.664 . 0 0 "[ . 1 .]" 1
758 1 67 PHE HZ 1 80 ILE MD 1.800 . 4.804 3.573 2.351 4.009 . 0 0 "[ . 1 .]" 1
759 1 67 PHE HZ 1 80 ILE MG 1.800 . 4.804 3.406 2.829 4.012 . 0 0 "[ . 1 .]" 1
760 1 69 GLY QA 1 78 LEU HA 1.800 . 3.367 2.235 1.984 2.702 . 0 0 "[ . 1 .]" 1
761 1 69 GLY QA 1 78 LEU HG 1.800 . 4.490 3.475 2.959 3.872 . 0 0 "[ . 1 .]" 1
762 1 71 GLY QA 1 76 PHE HA 1.800 . 2.806 2.016 1.791 2.514 0.009 12 0 "[ . 1 .]" 1
763 1 78 LEU QD 1 91 TYR QD 1.800 . 4.539 2.690 2.333 3.010 . 0 0 "[ . 1 .]" 1
764 1 78 LEU QD 1 91 TYR QE 1.800 . 4.539 2.222 2.012 2.507 . 0 0 "[ . 1 .]" 1
765 1 78 LEU HG 1 91 TYR QE 1.800 . 5.390 4.809 4.565 4.891 . 0 0 "[ . 1 .]" 1
766 1 83 VAL QG 1 87 ASP QB 1.800 . 3.783 2.083 1.858 2.503 . 0 0 "[ . 1 .]" 1
767 1 85 ALA HA 1 111 ILE MD 1.800 . 4.800 3.816 2.722 4.054 . 0 0 "[ . 1 .]" 1
768 1 88 LEU HA 1 109 LEU QB 1.800 . 3.367 2.856 2.169 3.027 . 0 0 "[ . 1 .]" 1
769 1 88 LEU HA 1 109 LEU QD 1.800 . 4.044 2.509 1.977 3.007 . 0 0 "[ . 1 .]" 1
770 1 88 LEU MD2 1 109 LEU QB 1.800 . 5.392 3.648 2.930 3.977 . 0 0 "[ . 1 .]" 1
771 1 88 LEU MD1 1 110 GLU HA 1.800 . 4.804 3.800 3.315 4.025 . 0 0 "[ . 1 .]" 1
772 1 88 LEU MD2 1 110 GLU HA 1.800 . 3.603 2.310 1.983 2.985 . 0 0 "[ . 1 .]" 1
773 1 88 LEU MD2 1 111 ILE HA 1.800 . 4.804 3.013 2.565 3.575 . 0 0 "[ . 1 .]" 1
774 1 88 LEU MD2 1 111 ILE MG 1.800 . 5.390 3.735 3.587 3.781 . 0 0 "[ . 1 .]" 1
775 1 90 ILE HA 1 108 LYS HA 1.800 . 3.000 2.580 2.130 2.892 . 0 0 "[ . 1 .]" 1
776 1 90 ILE MD 1 108 LYS QE 1.800 . 6.740 3.806 2.378 5.020 . 0 0 "[ . 1 .]" 1
777 1 91 TYR QB 1 107 THR HB 1.800 . 3.367 2.192 1.906 3.031 . 0 0 "[ . 1 .]" 1
778 1 91 TYR QD 1 109 LEU QB 1.800 . 5.040 2.354 2.012 2.734 . 0 0 "[ . 1 .]" 1
779 1 91 TYR QD 1 109 LEU QD 1.800 . 6.052 2.559 2.098 3.242 . 0 0 "[ . 1 .]" 1
780 1 91 TYR QE 1 109 LEU QB 1.800 . 5.040 3.310 2.116 3.955 . 0 0 "[ . 1 .]" 1
781 1 91 TYR QE 1 109 LEU QD 1.800 . 4.539 2.352 2.067 2.782 . 0 0 "[ . 1 .]" 1
782 1 92 PHE HA 1 106 GLY QA 1.800 . 4.490 3.882 1.988 4.316 . 0 0 "[ . 1 .]" 1
783 1 94 SER HA 1 103 PHE HA 1.800 . 3.000 2.846 2.504 3.092 0.092 12 0 "[ . 1 .]" 1
784 1 94 SER QB 1 103 PHE HA 1.800 . 3.367 2.355 1.823 2.929 . 0 0 "[ . 1 .]" 1
785 1 10 SER HA 1 108 LYS QB 1.800 . 5.600 2.419 1.977 4.113 . 0 0 "[ . 1 .]" 1
786 1 10 SER QB 1 108 LYS QB 1.800 . 5.040 3.251 2.327 4.019 . 0 0 "[ . 1 .]" 1
787 1 11 LEU MD1 1 21 ILE HA 1.800 . 4.804 3.300 2.489 3.977 . 0 0 "[ . 1 .]" 1
788 1 11 LEU HB3 1 109 LEU HA 1.800 . 4.000 2.769 2.279 3.369 . 0 0 "[ . 1 .]" 1
789 1 11 LEU HB3 1 109 LEU QD 1.800 . 5.392 2.474 1.817 3.061 . 0 0 "[ . 1 .]" 1
790 1 12 PRO HB2 1 112 LYS QG 1.800 . 4.480 3.017 2.028 4.073 . 0 0 "[ . 1 .]" 1
791 1 13 VAL HB 1 83 VAL QG 1.800 . 5.392 3.230 2.612 3.851 . 0 0 "[ . 1 .]" 1
792 1 13 VAL MG2 1 109 LEU HG 1.800 . 4.800 3.060 2.628 3.503 . 0 0 "[ . 1 .]" 1
793 1 15 LEU MD2 1 85 ALA MB 1.800 . 5.770 3.277 2.112 3.721 . 0 0 "[ . 1 .]" 1
794 1 15 LEU MD2 1 88 LEU HG 1.800 . 4.800 2.740 2.327 4.000 . 0 0 "[ . 1 .]" 1
795 1 16 GLY QA 1 82 ARG QB 1.800 . 5.040 3.524 2.089 4.066 . 0 0 "[ . 1 .]" 1
796 1 21 ILE HB 1 78 LEU QD 1.800 . 6.740 3.371 3.104 3.673 . 0 0 "[ . 1 .]" 1
797 1 21 ILE MD 1 91 TYR QD 1.800 . 4.044 2.606 2.185 2.870 . 0 0 "[ . 1 .]" 1
798 1 28 SER HA 1 74 THR HA 1.800 . 4.000 3.031 2.248 3.984 . 0 0 "[ . 1 .]" 1
799 1 29 LEU HA 1 97 THR HB 1.800 . 4.000 3.380 2.817 4.061 0.061 9 0 "[ . 1 .]" 1
800 1 31 HIS HD2 1 97 THR MG 1.800 . 3.603 2.961 2.793 3.021 . 0 0 "[ . 1 .]" 1
801 1 37 TYR HB3 1 97 THR HA 1.800 . 5.000 4.307 3.331 5.026 0.026 6 0 "[ . 1 .]" 1
802 1 38 LEU QD 1 76 PHE HB2 1.800 . 5.392 2.724 2.146 3.349 . 0 0 "[ . 1 .]" 1
803 1 42 LEU QD 1 87 ASP QB 1.800 . 6.050 3.793 3.292 4.009 . 0 0 "[ . 1 .]" 1
804 1 53 ILE MD 1 67 PHE HB2 1.800 . 4.804 3.573 2.886 4.036 . 0 0 "[ . 1 .]" 1
805 1 66 ARG QB 1 80 ILE MG 1.800 . 5.392 2.656 2.340 3.432 . 0 0 "[ . 1 .]" 1
806 1 67 PHE HA 1 80 ILE MG 1.800 . 4.804 3.406 2.997 3.713 . 0 0 "[ . 1 .]" 1
807 1 67 PHE QE 1 80 ILE MD 1.800 . 4.044 2.445 2.027 3.011 . 0 0 "[ . 1 .]" 1
808 1 68 SER H 1 78 LEU HG 1.800 . 4.000 3.752 3.352 4.023 0.023 7 0 "[ . 1 .]" 1
809 1 88 LEU HB3 1 110 GLU HA 1.800 . 4.000 3.171 2.052 3.791 . 0 0 "[ . 1 .]" 1
810 1 1 ASP HA 1 102 THR MG 1.800 . 7.206 3.882 2.058 5.420 . 0 0 "[ . 1 .]" 1
811 1 4 MET ME 1 23 CYS QB 1.800 . 6.066 3.065 2.408 4.079 . 0 0 "[ . 1 .]" 1
812 1 4 MET HA 1 25 SER QB 1.800 . 6.735 4.137 3.670 4.525 . 0 0 "[ . 1 .]" 1
813 1 4 MET ME 1 29 LEU MD1 1.800 . 4.327 2.343 1.866 2.926 . 0 0 "[ . 1 .]" 1
814 1 4 MET ME 1 76 PHE HB2 1.800 . 7.206 4.196 3.430 4.770 . 0 0 "[ . 1 .]" 1
815 1 4 MET ME 1 76 PHE HZ 1.800 . 7.206 5.348 4.133 6.002 . 0 0 "[ . 1 .]" 1
816 1 4 MET ME 1 95 GLN HA 1.800 . 7.206 4.105 2.610 5.435 . 0 0 "[ . 1 .]" 1
817 1 4 MET ME 1 95 GLN QB 1.800 . 8.088 2.759 2.015 3.827 . 0 0 "[ . 1 .]" 1
818 1 5 THR HB 1 24 ARG QD 1.800 . 6.735 4.255 3.147 5.878 . 0 0 "[ . 1 .]" 1
819 1 6 GLN HA 1 23 CYS QB 1.800 . 6.735 3.847 3.185 4.439 . 0 0 "[ . 1 .]" 1
820 1 8 PRO QG 1 107 THR MG 1.800 . 6.066 3.465 3.086 3.742 . 0 0 "[ . 1 .]" 1
821 1 10 SER QB 1 108 LYS QD 1.800 . 7.560 4.356 2.649 5.791 . 0 0 "[ . 1 .]" 1
822 1 11 LEU HG 1 19 ALA MB 1.800 . 7.206 4.062 3.308 4.625 . 0 0 "[ . 1 .]" 1
823 1 11 LEU MD2 1 21 ILE HA 1.800 . 7.206 3.852 3.432 4.564 . 0 0 "[ . 1 .]" 1
824 1 11 LEU MD2 1 109 LEU HG 1.800 . 5.404 3.059 2.487 4.031 . 0 0 "[ . 1 .]" 1
825 1 12 PRO HA 1 112 LYS HA 1.800 . 6.000 3.303 2.332 4.575 . 0 0 "[ . 1 .]" 1
826 1 13 VAL MG1 1 17 ASP QB 1.800 . 6.066 3.888 3.404 4.234 . 0 0 "[ . 1 .]" 1
827 1 13 VAL MG2 1 17 ASP QB 1.800 . 6.066 3.914 3.141 4.365 . 0 0 "[ . 1 .]" 1
828 1 13 VAL MG1 1 109 LEU HA 1.800 . 7.206 4.755 4.189 5.423 . 0 0 "[ . 1 .]" 1
829 1 13 VAL MG2 1 109 LEU HA 1.800 . 7.206 4.361 4.050 4.817 . 0 0 "[ . 1 .]" 1
830 1 14 SER HA 1 111 ILE QG 1.800 . 6.735 2.813 2.047 4.994 . 0 0 "[ . 1 .]" 1
831 1 15 LEU HG 1 111 ILE MD 1.800 . 5.404 2.061 1.849 2.792 . 0 0 "[ . 1 .]" 1
832 1 16 GLY QA 1 82 ARG HA 1.800 . 6.735 3.532 3.012 4.125 . 0 0 "[ . 1 .]" 1
833 1 18 GLN QB 1 81 SER HA 1.800 . 6.735 3.571 1.662 4.305 0.138 11 0 "[ . 1 .]" 1
834 1 19 ALA HA 1 109 LEU QD 1.800 . 6.066 4.450 3.973 4.532 . 0 0 "[ . 1 .]" 1
835 1 20 SER HA 1 79 LYS QD 1.800 . 6.735 4.633 2.490 5.423 . 0 0 "[ . 1 .]" 1
836 1 20 SER HA 1 79 LYS QG 1.800 . 6.735 3.455 2.426 4.866 . 0 0 "[ . 1 .]" 1
837 1 21 ILE MD 1 109 LEU HG 1.800 . 7.206 4.981 4.301 5.874 . 0 0 "[ . 1 .]" 1
838 1 22 SER HA 1 77 THR HB 1.800 . 6.000 4.535 4.090 5.083 . 0 0 "[ . 1 .]" 1
839 1 22 SER QB 1 77 THR MG 1.800 . 8.088 3.589 2.847 4.352 . 0 0 "[ . 1 .]" 1
840 1 24 ARG HA 1 75 ASP QB 1.800 . 6.735 4.661 4.334 5.162 . 0 0 "[ . 1 .]" 1
841 1 24 ARG QD 1 75 ASP HA 1.800 . 6.735 3.919 2.378 5.181 . 0 0 "[ . 1 .]" 1
842 1 25 SER HA 1 29 LEU MD2 1.800 . 7.206 4.327 3.676 4.908 . 0 0 "[ . 1 .]" 1
843 1 29 LEU MD1 1 38 LEU HA 1.800 . 7.206 3.401 2.644 4.173 . 0 0 "[ . 1 .]" 1
844 1 30 VAL MG1 1 36 THR HA 1.800 . 5.403 4.004 3.224 4.501 . 0 0 "[ . 1 .]" 1
845 1 30 VAL HA 1 97 THR MG 1.800 . 7.206 3.479 2.524 4.209 . 0 0 "[ . 1 .]" 1
846 1 31 HIS HB3 1 97 THR MG 1.800 . 7.206 4.381 3.620 4.967 . 0 0 "[ . 1 .]" 1
847 1 37 TYR HB2 1 97 THR HA 1.800 . 6.000 3.151 2.168 4.463 . 0 0 "[ . 1 .]" 1
848 1 38 LEU QD 1 56 VAL HB 1.800 . 8.088 4.566 3.913 5.463 . 0 0 "[ . 1 .]" 1
849 1 38 LEU QD 1 95 GLN QB 1.800 . 9.079 3.064 2.678 3.645 . 0 0 "[ . 1 .]" 1
850 1 38 LEU QD 1 95 GLN QG 1.800 . 6.809 4.406 3.948 4.551 . 0 0 "[ . 1 .]" 1
851 1 40 TRP HB3 1 52 LEU QD 1.800 . 8.088 3.015 2.227 3.810 . 0 0 "[ . 1 .]" 1
852 1 40 TRP HB3 1 53 ILE MD 1.800 . 7.206 5.102 3.556 5.958 . 0 0 "[ . 1 .]" 1
853 1 40 TRP HD1 1 53 ILE MD 1.800 . 7.206 4.376 3.314 5.065 . 0 0 "[ . 1 .]" 1
854 1 40 TRP HD1 1 78 LEU HG 1.800 . 6.000 5.473 4.298 6.063 0.063 11 0 "[ . 1 .]" 1
855 1 40 TRP HZ2 1 78 LEU QD 1.800 . 8.088 4.180 3.311 4.408 . 0 0 "[ . 1 .]" 1
856 1 42 LEU QD 1 67 PHE QE 1.800 . 9.079 3.398 2.325 4.224 . 0 0 "[ . 1 .]" 1
857 1 42 LEU QD 1 91 TYR HA 1.800 . 8.088 2.668 2.174 3.307 . 0 0 "[ . 1 .]" 1
858 1 44 LYS HA 1 89 GLY QA 1.800 . 6.735 2.893 2.182 3.616 . 0 0 "[ . 1 .]" 1
859 1 44 LYS QE 1 89 GLY QA 1.800 . 7.560 4.226 2.410 5.923 . 0 0 "[ . 1 .]" 1
860 1 51 LEU MD1 1 60 PHE HA 1.800 . 7.206 5.928 5.655 6.045 . 0 0 "[ . 1 .]" 1
861 1 51 LEU MD1 1 60 PHE HB2 1.800 . 5.404 4.015 3.634 4.400 . 0 0 "[ . 1 .]" 1
862 1 53 ILE MG 1 57 SER QB 1.800 . 8.088 4.116 3.670 4.490 . 0 0 "[ . 1 .]" 1
863 1 53 ILE MD 1 59 ARG QB 1.800 . 8.088 3.506 3.063 4.191 . 0 0 "[ . 1 .]" 1
864 1 53 ILE MD 1 67 PHE HA 1.800 . 7.206 4.561 3.689 5.576 . 0 0 "[ . 1 .]" 1
865 1 53 ILE MD 1 67 PHE QD 1.800 . 8.088 4.363 3.019 5.316 . 0 0 "[ . 1 .]" 1
866 1 53 ILE MD 1 68 SER QB 1.800 . 8.088 4.454 4.119 4.803 . 0 0 "[ . 1 .]" 1
867 1 53 ILE HB 1 78 LEU HG 1.800 . 6.000 5.222 4.489 5.800 . 0 0 "[ . 1 .]" 1
868 1 53 ILE MD 1 78 LEU HA 1.800 . 7.206 5.074 3.977 5.752 . 0 0 "[ . 1 .]" 1
869 1 53 ILE QG 1 78 LEU QD 1.800 . 9.079 3.044 2.134 4.204 . 0 0 "[ . 1 .]" 1
870 1 57 SER HA 1 69 GLY QA 1.800 . 5.051 3.562 2.456 4.615 . 0 0 "[ . 1 .]" 1
871 1 63 VAL MG1 1 67 PHE QE 1.800 . 8.088 4.185 3.847 4.587 . 0 0 "[ . 1 .]" 1
872 1 66 ARG HA 1 80 ILE MG 1.800 . 7.206 4.308 3.248 5.377 . 0 0 "[ . 1 .]" 1
873 1 67 PHE QE 1 109 LEU QD 1.800 . 9.079 4.698 3.689 5.401 . 0 0 "[ . 1 .]" 1
874 1 68 SER QB 1 79 LYS QD 1.800 . 7.560 4.268 3.528 5.204 . 0 0 "[ . 1 .]" 1
875 1 83 VAL HA 1 87 ASP QB 1.800 . 6.735 3.026 2.362 3.836 . 0 0 "[ . 1 .]" 1
876 1 83 VAL QG 1 88 LEU HA 1.800 . 8.088 4.186 3.677 4.783 . 0 0 "[ . 1 .]" 1
877 1 88 LEU MD2 1 109 LEU HG 1.800 . 5.404 4.118 3.273 4.525 . 0 0 "[ . 1 .]" 1
878 1 88 LEU MD2 1 111 ILE HB 1.800 . 7.206 2.563 2.186 4.097 . 0 0 "[ . 1 .]" 1
879 1 88 LEU MD2 1 111 ILE QG 1.800 . 6.066 2.612 1.889 3.576 . 0 0 "[ . 1 .]" 1
880 1 90 ILE MG 1 106 GLY QA 1.800 . 8.088 2.872 1.948 4.763 . 0 0 "[ . 1 .]" 1
881 1 90 ILE MG 1 108 LYS HA 1.800 . 7.206 3.068 2.182 3.714 . 0 0 "[ . 1 .]" 1
882 1 91 TYR QD 1 109 LEU HG 1.800 . 6.735 4.777 4.410 5.349 . 0 0 "[ . 1 .]" 1
883 1 91 TYR QE 1 109 LEU HG 1.800 . 6.735 5.115 4.270 5.476 . 0 0 "[ . 1 .]" 1
884 1 3 VAL QG 1 26 SER HA 1.800 . 6.735 4.587 3.993 4.965 . 0 0 "[ . 1 .]" 1
885 1 10 SER HA 1 107 THR HA 1.800 . 6.000 4.218 3.536 4.738 . 0 0 "[ . 1 .]" 1
886 1 10 SER HA 1 109 LEU QD 1.800 . 8.088 5.475 4.918 6.028 . 0 0 "[ . 1 .]" 1
887 1 13 VAL MG2 1 83 VAL HB 1.800 . 7.206 3.166 2.699 3.669 . 0 0 "[ . 1 .]" 1
888 1 14 SER HA 1 112 LYS QB 1.800 . 6.735 3.791 2.844 5.418 . 0 0 "[ . 1 .]" 1
889 1 14 SER HA 1 112 LYS QD 1.800 . 6.735 4.954 3.362 6.007 . 0 0 "[ . 1 .]" 1
890 1 15 LEU MD1 1 85 ALA MB 1.800 . 4.327 2.499 1.991 3.037 . 0 0 "[ . 1 .]" 1
891 1 16 GLY QA 1 82 ARG QG 1.800 . 7.560 4.169 3.135 4.987 . 0 0 "[ . 1 .]" 1
892 1 22 SER HA 1 40 TRP HZ2 1.800 . 6.000 4.258 3.699 5.007 . 0 0 "[ . 1 .]" 1
893 1 24 ARG QB 1 74 THR HA 1.800 . 6.735 5.195 4.046 6.030 . 0 0 "[ . 1 .]" 1
894 1 29 LEU HB3 1 95 GLN QG 1.800 . 6.735 5.184 3.590 5.920 . 0 0 "[ . 1 .]" 1
895 1 29 LEU MD2 1 95 GLN HA 1.800 . 7.206 4.178 3.585 4.578 . 0 0 "[ . 1 .]" 1
896 1 30 VAL HB 1 36 THR HA 1.800 . 6.000 5.470 4.646 5.941 . 0 0 "[ . 1 .]" 1
897 1 31 HIS HA 1 37 TYR QE 1.800 . 6.735 4.873 4.293 5.873 . 0 0 "[ . 1 .]" 1
898 1 40 TRP HB2 1 53 ILE MD 1.800 . 7.206 4.136 2.826 4.929 . 0 0 "[ . 1 .]" 1
899 1 41 TYR HA 1 52 LEU QD 1.800 . 8.088 3.427 2.505 4.245 . 0 0 "[ . 1 .]" 1
900 1 42 LEU HB2 1 67 PHE QE 1.800 . 6.735 4.734 4.073 5.494 . 0 0 "[ . 1 .]" 1
901 1 44 LYS QG 1 89 GLY QA 1.800 . 7.560 3.548 2.228 4.562 . 0 0 "[ . 1 .]" 1
902 1 51 LEU HG 1 60 PHE HB2 1.800 . 6.000 2.689 2.272 3.174 . 0 0 "[ . 1 .]" 1
903 1 52 LEU QB 1 78 LEU HG 1.800 . 6.735 4.343 3.638 5.004 . 0 0 "[ . 1 .]" 1
904 1 56 VAL QG 1 76 PHE QD 1.800 . 4.539 2.877 2.310 3.015 . 0 0 "[ . 1 .]" 1
905 1 57 SER QB 1 70 SER HA 1.800 . 6.735 3.120 2.118 4.622 . 0 0 "[ . 1 .]" 1
906 1 66 ARG QB 1 82 ARG H 1.800 . 6.735 2.912 1.934 4.336 . 0 0 "[ . 1 .]" 1
907 1 67 PHE HB2 1 78 LEU HG 1.800 . 6.000 5.793 5.151 6.072 0.072 9 0 "[ . 1 .]" 1
908 1 67 PHE HA 1 80 ILE QG 1.800 . 6.735 2.955 2.290 3.535 . 0 0 "[ . 1 .]" 1
909 1 91 TYR QD 1 107 THR HB 1.800 . 6.735 4.273 3.883 4.983 . 0 0 "[ . 1 .]" 1
910 1 96 THR HA 1 101 PRO HA 1.800 . 6.000 4.020 3.283 5.209 . 0 0 "[ . 1 .]" 1
911 1 21 ILE H 1 78 LEU HB3 1.800 . 4.500 2.925 2.462 3.243 . 0 0 "[ . 1 .]" 1
912 1 21 ILE HB 1 78 LEU HB2 1.800 . 6.000 3.373 2.546 4.000 . 0 0 "[ . 1 .]" 1
913 1 21 ILE MD 1 78 LEU HB2 1.800 . 5.403 3.535 3.044 4.425 . 0 0 "[ . 1 .]" 1
914 1 21 ILE MG 1 78 LEU HB2 1.800 . 7.206 4.530 3.931 4.940 . 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 46
_Distance_constraint_stats_list.Viol_count 55
_Distance_constraint_stats_list.Viol_total 15.392
_Distance_constraint_stats_list.Viol_max 0.060
_Distance_constraint_stats_list.Viol_rms 0.0064
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0187
_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 5 THR 0.070 0.037 14 0 "[ . 1 .]"
1 19 ALA 0.023 0.011 1 0 "[ . 1 .]"
1 21 ILE 0.075 0.040 11 0 "[ . 1 .]"
1 23 CYS 0.121 0.028 2 0 "[ . 1 .]"
1 24 ARG 0.070 0.037 14 0 "[ . 1 .]"
1 39 ASN 0.179 0.060 12 0 "[ . 1 .]"
1 40 TRP 0.055 0.043 13 0 "[ . 1 .]"
1 41 TYR 0.033 0.018 7 0 "[ . 1 .]"
1 43 GLN 0.139 0.044 11 0 "[ . 1 .]"
1 53 ILE 0.055 0.043 13 0 "[ . 1 .]"
1 68 SER 0.064 0.025 7 0 "[ . 1 .]"
1 70 SER 0.125 0.038 5 0 "[ . 1 .]"
1 76 PHE 0.121 0.028 2 0 "[ . 1 .]"
1 77 THR 0.125 0.038 5 0 "[ . 1 .]"
1 78 LEU 0.075 0.040 11 0 "[ . 1 .]"
1 79 LYS 0.064 0.025 7 0 "[ . 1 .]"
1 80 ILE 0.023 0.011 1 0 "[ . 1 .]"
1 89 GLY 0.021 0.021 14 0 "[ . 1 .]"
1 90 ILE 0.139 0.044 11 0 "[ . 1 .]"
1 91 TYR 0.121 0.038 7 0 "[ . 1 .]"
1 92 PHE 0.033 0.018 7 0 "[ . 1 .]"
1 94 SER 0.179 0.060 12 0 "[ . 1 .]"
1 107 THR 0.121 0.038 7 0 "[ . 1 .]"
1 109 LEU 0.021 0.021 14 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 5 THR H 1 24 ARG O 1.700 . 2.500 2.206 1.923 2.504 0.004 2 0 "[ . 1 .]" 2
2 1 5 THR N 1 24 ARG O 2.700 2.700 3.500 2.930 2.663 3.275 0.037 14 0 "[ . 1 .]" 2
3 1 5 THR O 1 24 ARG H 1.700 . 2.500 2.062 1.915 2.328 . 0 0 "[ . 1 .]" 2
4 1 5 THR O 1 24 ARG N 2.700 2.700 3.500 2.981 2.682 3.274 0.018 14 0 "[ . 1 .]" 2
5 1 23 CYS H 1 76 PHE O 1.700 . 2.500 2.046 1.903 2.196 . 0 0 "[ . 1 .]" 2
6 1 23 CYS N 1 76 PHE O 2.700 2.700 3.500 2.831 2.681 2.999 0.019 3 0 "[ . 1 .]" 2
7 1 23 CYS O 1 76 PHE H 1.700 . 2.500 2.176 1.846 2.526 0.026 6 0 "[ . 1 .]" 2
8 1 23 CYS O 1 76 PHE N 2.700 2.700 3.500 2.937 2.672 3.325 0.028 2 0 "[ . 1 .]" 2
9 1 21 ILE H 1 78 LEU O 1.700 . 2.500 2.193 1.834 2.540 0.040 11 0 "[ . 1 .]" 2
10 1 21 ILE N 1 78 LEU O 2.700 2.700 3.500 3.097 2.757 3.362 . 0 0 "[ . 1 .]" 2
11 1 21 ILE O 1 78 LEU H 1.700 . 2.500 1.985 1.779 2.496 . 0 0 "[ . 1 .]" 2
12 1 21 ILE O 1 78 LEU N 2.700 2.700 3.500 2.841 2.694 3.275 0.006 14 0 "[ . 1 .]" 2
13 1 19 ALA H 1 80 ILE O 1.700 . 2.500 2.218 1.938 2.427 . 0 0 "[ . 1 .]" 2
14 1 19 ALA N 1 80 ILE O 2.700 2.700 3.500 3.081 2.810 3.283 . 0 0 "[ . 1 .]" 2
15 1 19 ALA O 1 80 ILE H 1.700 . 2.500 1.971 1.838 2.343 . 0 0 "[ . 1 .]" 2
16 1 19 ALA O 1 80 ILE N 2.700 2.700 3.500 2.873 2.689 3.072 0.011 1 0 "[ . 1 .]" 2
17 1 70 SER O 1 77 THR H 1.700 . 2.500 2.116 1.841 2.535 0.035 7 0 "[ . 1 .]" 2
18 1 70 SER O 1 77 THR N 2.700 2.700 3.500 3.018 2.763 3.371 . 0 0 "[ . 1 .]" 2
19 1 70 SER H 1 77 THR O 1.700 . 2.500 2.300 1.971 2.538 0.038 5 0 "[ . 1 .]" 2
20 1 70 SER N 1 77 THR O 2.700 2.700 3.500 3.166 2.822 3.453 . 0 0 "[ . 1 .]" 2
21 1 68 SER O 1 79 LYS H 1.700 . 2.500 2.111 1.819 2.513 0.013 4 0 "[ . 1 .]" 2
22 1 68 SER O 1 79 LYS N 2.700 2.700 3.500 2.932 2.675 3.471 0.025 7 0 "[ . 1 .]" 2
23 1 68 SER H 1 79 LYS O 1.700 . 2.500 2.057 1.892 2.298 . 0 0 "[ . 1 .]" 2
24 1 68 SER N 1 79 LYS O 2.700 2.700 3.500 2.900 2.698 3.126 0.002 6 0 "[ . 1 .]" 2
25 1 91 TYR O 1 107 THR H 1.700 . 2.500 2.208 1.844 2.526 0.026 4 0 "[ . 1 .]" 2
26 1 91 TYR O 1 107 THR N 2.700 2.700 3.500 3.032 2.768 3.324 . 0 0 "[ . 1 .]" 2
27 1 91 TYR H 1 107 THR O 1.700 . 2.500 1.910 1.791 2.147 . 0 0 "[ . 1 .]" 2
28 1 91 TYR N 1 107 THR O 2.700 2.700 3.500 2.818 2.662 3.029 0.038 7 0 "[ . 1 .]" 2
29 1 89 GLY O 1 109 LEU H 1.700 . 2.500 2.019 1.868 2.213 . 0 0 "[ . 1 .]" 2
30 1 89 GLY O 1 109 LEU N 2.700 2.700 3.500 2.864 2.722 3.029 . 0 0 "[ . 1 .]" 2
31 1 89 GLY H 1 109 LEU O 1.700 . 2.500 1.962 1.784 2.150 . 0 0 "[ . 1 .]" 2
32 1 89 GLY N 1 109 LEU O 2.700 2.700 3.500 2.884 2.679 3.064 0.021 14 0 "[ . 1 .]" 2
33 1 39 ASN O 1 94 SER H 1.700 . 2.500 2.117 1.875 2.560 0.060 12 0 "[ . 1 .]" 2
34 1 39 ASN O 1 94 SER N 2.700 2.700 3.500 2.971 2.662 3.318 0.038 8 0 "[ . 1 .]" 2
35 1 39 ASN H 1 94 SER O 1.700 . 2.500 2.170 1.947 2.546 0.046 12 0 "[ . 1 .]" 2
36 1 39 ASN N 1 94 SER O 2.700 2.700 3.500 3.042 2.760 3.506 0.006 12 0 "[ . 1 .]" 2
37 1 41 TYR O 1 92 PHE H 1.700 . 2.500 1.977 1.834 2.301 . 0 0 "[ . 1 .]" 2
38 1 41 TYR O 1 92 PHE N 2.700 2.700 3.500 2.910 2.682 3.259 0.018 7 0 "[ . 1 .]" 2
39 1 41 TYR H 1 92 PHE O 1.700 . 2.500 1.986 1.829 2.398 . 0 0 "[ . 1 .]" 2
40 1 41 TYR N 1 92 PHE O 2.700 2.700 3.500 2.874 2.693 3.206 0.007 5 0 "[ . 1 .]" 2
41 1 43 GLN O 1 90 ILE H 1.700 . 2.500 2.152 1.792 2.544 0.044 11 0 "[ . 1 .]" 2
42 1 43 GLN O 1 90 ILE N 2.700 2.700 3.500 3.060 2.669 3.463 0.031 3 0 "[ . 1 .]" 2
43 1 43 GLN H 1 90 ILE O 1.700 . 2.500 2.040 1.803 2.536 0.036 5 0 "[ . 1 .]" 2
44 1 43 GLN N 1 90 ILE O 2.700 2.700 3.500 2.957 2.696 3.494 0.004 9 0 "[ . 1 .]" 2
45 1 40 TRP H 1 53 ILE O 1.700 . 2.500 1.933 1.784 2.188 . 0 0 "[ . 1 .]" 2
46 1 40 TRP N 1 53 ILE O 2.700 2.700 3.500 2.778 2.657 2.928 0.043 13 0 "[ . 1 .]" 2
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