NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635096 |
6c8u   |
30398 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6c8u
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 758
_Distance_constraint_stats_list.Viol_count 2336
_Distance_constraint_stats_list.Viol_total 2451.505
_Distance_constraint_stats_list.Viol_max 1.263
_Distance_constraint_stats_list.Viol_rms 0.0719
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0323
_Distance_constraint_stats_list.Viol_average_violations_only 0.1049
_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 9 THR 0.706 0.218 9 0 "[ . 1]"
1 10 SER 0.172 0.093 6 0 "[ . 1]"
1 11 VAL 0.310 0.093 6 0 "[ . 1]"
1 13 LEU 0.297 0.164 7 0 "[ . 1]"
1 14 GLY 0.441 0.164 7 0 "[ . 1]"
1 15 THR 0.951 0.103 4 0 "[ . 1]"
1 16 GLU 3.303 0.211 5 0 "[ . 1]"
1 17 ASN 3.813 0.211 5 0 "[ . 1]"
1 18 LEU 0.936 0.199 5 0 "[ . 1]"
1 19 TYR 1.098 0.199 5 0 "[ . 1]"
1 20 PHE 2.133 0.213 10 0 "[ . 1]"
1 21 GLN 4.065 1.263 4 3 "[ - +. *1]"
1 23 ASN 0.102 0.065 9 0 "[ . 1]"
1 24 ALA 0.632 0.088 3 0 "[ . 1]"
1 25 GLY 0.573 0.091 5 0 "[ . 1]"
1 26 LYS 3.060 0.139 6 0 "[ . 1]"
1 27 MET 6.528 0.327 10 0 "[ . 1]"
1 28 PHE 4.604 0.327 10 0 "[ . 1]"
1 29 ILE 10.691 0.357 10 0 "[ . 1]"
1 30 GLY 8.622 0.357 10 0 "[ . 1]"
1 31 GLY 1.238 0.087 9 0 "[ . 1]"
1 32 LEU 2.385 0.149 6 0 "[ . 1]"
1 33 SER 6.945 0.378 10 0 "[ . 1]"
1 34 TRP 8.978 0.378 10 0 "[ . 1]"
1 35 GLN 4.428 0.149 6 0 "[ . 1]"
1 36 THR 5.393 0.149 6 0 "[ . 1]"
1 37 SER 1.881 0.167 10 0 "[ . 1]"
1 38 PRO 4.357 0.144 10 0 "[ . 1]"
1 39 ASP 6.779 0.193 10 0 "[ . 1]"
1 40 SER 1.897 0.142 8 0 "[ . 1]"
1 41 LEU 7.337 0.409 2 0 "[ . 1]"
1 42 ARG 3.264 0.192 2 0 "[ . 1]"
1 43 ASP 3.035 0.193 10 0 "[ . 1]"
1 44 TYR 3.248 0.140 5 0 "[ . 1]"
1 45 PHE 2.998 0.149 5 0 "[ . 1]"
1 46 SER 4.006 0.234 8 0 "[ . 1]"
1 47 LYS 8.811 0.460 10 0 "[ . 1]"
1 48 PHE 0.000 0.000 . 0 "[ . 1]"
1 49 GLY 3.746 0.185 9 0 "[ . 1]"
1 50 GLU 9.990 0.306 8 0 "[ . 1]"
1 51 ILE 14.570 0.460 10 0 "[ . 1]"
1 52 ARG 3.921 0.172 8 0 "[ . 1]"
1 53 GLU 6.818 0.272 10 0 "[ . 1]"
1 54 CYS 6.448 0.295 8 0 "[ . 1]"
1 55 MET 7.290 0.295 8 0 "[ . 1]"
1 56 VAL 8.451 0.195 1 0 "[ . 1]"
1 57 MET 3.418 0.195 1 0 "[ . 1]"
1 58 ARG 0.318 0.066 4 0 "[ . 1]"
1 59 ASP 5.524 0.177 7 0 "[ . 1]"
1 60 PRO 1.140 0.135 5 0 "[ . 1]"
1 61 THR 2.988 0.166 7 0 "[ . 1]"
1 62 THR 1.471 0.117 2 0 "[ . 1]"
1 63 LYS 4.708 0.254 2 0 "[ . 1]"
1 64 ARG 2.951 0.254 2 0 "[ . 1]"
1 65 SER 0.085 0.026 1 0 "[ . 1]"
1 66 ARG 0.448 0.061 9 0 "[ . 1]"
1 67 GLY 0.723 0.061 9 0 "[ . 1]"
1 68 PHE 0.045 0.024 1 0 "[ . 1]"
1 69 GLY 4.615 0.236 6 0 "[ . 1]"
1 70 PHE 11.424 0.340 7 0 "[ . 1]"
1 71 VAL 6.447 0.302 10 0 "[ . 1]"
1 72 THR 4.029 0.315 6 0 "[ . 1]"
1 73 PHE 10.295 0.315 6 0 "[ . 1]"
1 74 ALA 6.497 0.422 7 0 "[ . 1]"
1 75 ASP 12.170 0.422 7 0 "[ . 1]"
1 76 PRO 4.062 0.270 7 0 "[ . 1]"
1 77 ALA 9.139 0.332 8 0 "[ . 1]"
1 78 SER 4.589 0.145 8 0 "[ . 1]"
1 79 VAL 7.065 0.168 6 0 "[ . 1]"
1 80 ASP 8.002 0.158 1 0 "[ . 1]"
1 81 LYS 5.991 0.206 6 0 "[ . 1]"
1 82 VAL 5.517 0.206 6 0 "[ . 1]"
1 83 LEU 3.328 0.250 4 0 "[ . 1]"
1 84 GLY 2.568 0.163 8 0 "[ . 1]"
1 85 GLN 4.608 0.234 2 0 "[ . 1]"
1 86 PRO 0.000 0.000 . 0 "[ . 1]"
1 87 HIS 0.554 0.074 6 0 "[ . 1]"
1 88 HIS 2.416 0.146 5 0 "[ . 1]"
1 89 GLU 4.175 0.280 1 0 "[ . 1]"
1 90 LEU 9.682 0.280 1 0 "[ . 1]"
1 91 ASP 11.628 0.361 8 0 "[ . 1]"
1 92 SER 3.857 0.361 8 0 "[ . 1]"
1 93 LYS 6.243 0.342 3 0 "[ . 1]"
1 94 THR 4.812 0.342 3 0 "[ . 1]"
1 95 ILE 2.546 0.100 10 0 "[ . 1]"
1 96 ASP 4.279 0.275 9 0 "[ . 1]"
1 97 PRO 0.000 0.000 . 0 "[ . 1]"
1 98 LYS 1.039 0.105 1 0 "[ . 1]"
1 99 VAL 0.360 0.083 2 0 "[ . 1]"
1 100 ALA 1.736 0.195 6 0 "[ . 1]"
1 101 PHE 2.127 0.171 8 0 "[ . 1]"
1 102 PRO 0.569 0.161 8 0 "[ . 1]"
1 103 ARG 0.004 0.004 7 0 "[ . 1]"
1 104 ARG 0.007 0.007 5 0 "[ . 1]"
1 105 ALA 1.742 0.205 8 0 "[ . 1]"
1 106 GLN 1.161 0.606 10 2 "[ .- +]"
1 107 PRO 0.109 0.030 7 0 "[ . 1]"
1 108 LYS 0.131 0.030 7 0 "[ . 1]"
1 109 MET 0.290 0.071 8 0 "[ . 1]"
1 110 VAL 0.814 0.082 8 0 "[ . 1]"
1 111 THR 3.066 0.195 8 0 "[ . 1]"
1 112 ARG 0.469 0.130 1 0 "[ . 1]"
1 113 THR 0.000 0.000 . 0 "[ . 1]"
1 114 LYS 1.751 0.202 3 0 "[ . 1]"
1 115 LYS 1.691 0.207 4 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 9 THR H 1 9 THR MG 2.000 . 2.700 2.263 1.948 2.736 0.036 9 0 "[ . 1]" 1
2 1 9 THR H 1 9 THR HB 2.000 . 3.300 3.232 2.962 3.518 0.218 9 0 "[ . 1]" 1
3 1 10 SER HA 1 11 VAL H 2.000 . 3.300 2.437 2.136 3.393 0.093 6 0 "[ . 1]" 1
4 1 10 SER QB 1 11 VAL H 2.000 . 3.300 2.971 2.519 3.220 . 0 0 "[ . 1]" 1
5 1 11 VAL H 1 11 VAL HA 2.000 . 3.000 2.937 2.919 2.950 . 0 0 "[ . 1]" 1
6 1 11 VAL H 1 11 VAL HB 2.000 . 2.700 2.714 2.698 2.725 0.025 1 0 "[ . 1]" 1
7 1 11 VAL H 1 11 VAL MG1 2.000 . 5.500 3.874 3.843 3.905 . 0 0 "[ . 1]" 1
8 1 11 VAL H 1 11 VAL MG2 2.000 . 2.700 2.296 2.135 2.512 . 0 0 "[ . 1]" 1
9 1 14 GLY H 1 15 THR H 2.000 . 3.300 3.125 2.536 3.373 0.073 2 0 "[ . 1]" 1
10 1 13 LEU QB 1 14 GLY H 2.000 . 3.300 2.898 1.953 3.304 0.004 8 0 "[ . 1]" 1
11 1 13 LEU MD1 1 14 GLY H 2.000 . 4.000 3.762 3.424 4.061 0.061 4 0 "[ . 1]" 1
12 1 14 GLY H 1 14 GLY QA 2.000 . 2.700 2.417 2.295 2.484 . 0 0 "[ . 1]" 1
13 1 13 LEU HA 1 14 GLY H 2.000 . 3.300 2.455 2.164 3.464 0.164 7 0 "[ . 1]" 1
14 1 15 THR H 1 16 GLU H 2.000 . 3.300 1.835 1.703 2.013 . 0 0 "[ . 1]" 1
15 1 15 THR H 1 17 ASN H 2.000 . 4.000 3.672 3.296 4.024 0.024 5 0 "[ . 1]" 1
16 1 14 GLY QA 1 15 THR H 2.000 . 2.700 2.397 2.360 2.414 . 0 0 "[ . 1]" 1
17 1 15 THR H 1 15 THR MG 2.000 . 2.700 2.499 2.114 2.803 0.103 4 0 "[ . 1]" 1
18 1 15 THR H 1 16 GLU QB 2.000 . 4.000 3.732 3.392 4.100 0.100 4 0 "[ . 1]" 1
19 1 13 LEU QB 1 15 THR H 2.000 . 4.000 3.782 3.307 4.030 0.030 7 0 "[ . 1]" 1
20 1 15 THR H 1 16 GLU QG 2.000 . 5.500 4.729 2.919 5.575 0.075 6 0 "[ . 1]" 1
21 1 15 THR H 1 17 ASN QB 2.000 . 5.500 4.885 4.459 5.379 . 0 0 "[ . 1]" 1
22 1 16 GLU H 1 16 GLU QG 2.000 . 4.000 3.424 2.036 4.058 0.058 5 0 "[ . 1]" 1
23 1 16 GLU H 1 16 GLU QB 2.000 . 2.700 2.483 2.329 2.810 0.110 1 0 "[ . 1]" 1
24 1 16 GLU H 1 18 LEU MD1 2.000 . 5.500 4.725 3.261 5.414 . 0 0 "[ . 1]" 1
25 1 15 THR MG 1 16 GLU H 2.000 . 4.000 3.366 2.494 4.042 0.042 6 0 "[ . 1]" 1
26 1 16 GLU H 1 17 ASN H 2.000 . 2.700 2.256 2.026 2.623 . 0 0 "[ . 1]" 1
27 1 17 ASN H 1 18 LEU H 2.000 . 3.300 2.853 2.565 3.407 0.107 7 0 "[ . 1]" 1
28 1 17 ASN H 1 17 ASN HD21 2.000 . 5.500 4.376 4.328 4.624 . 0 0 "[ . 1]" 1
29 1 17 ASN H 1 17 ASN HD22 2.000 . 5.500 5.569 5.536 5.680 0.180 8 0 "[ . 1]" 1
30 1 16 GLU HA 1 17 ASN H 2.000 . 3.300 3.492 3.450 3.511 0.211 5 0 "[ . 1]" 1
31 1 17 ASN H 1 17 ASN HB3 2.000 . 2.700 2.743 2.704 2.759 0.059 1 0 "[ . 1]" 1
32 1 17 ASN H 1 17 ASN HB2 2.000 . 2.700 2.312 2.275 2.347 . 0 0 "[ . 1]" 1
33 1 16 GLU QG 1 17 ASN H 2.000 . 3.300 3.105 1.928 3.450 0.150 4 0 "[ . 1]" 1
34 1 16 GLU QB 1 17 ASN H 2.000 . 3.300 2.508 1.940 3.423 0.123 1 0 "[ . 1]" 1
35 1 17 ASN H 1 18 LEU MD1 2.000 . 5.500 4.960 3.109 5.488 . 0 0 "[ . 1]" 1
36 1 17 ASN QB 1 17 ASN HD21 2.000 . 2.700 2.008 1.982 2.035 . 0 0 "[ . 1]" 1
37 1 19 TYR H 1 19 TYR QD 2.000 . 4.000 2.517 1.920 3.135 . 0 0 "[ . 1]" 1
38 1 18 LEU HA 1 19 TYR H 2.000 . 3.300 2.668 2.246 3.499 0.199 5 0 "[ . 1]" 1
39 1 19 TYR H 1 20 PHE QB 2.000 . 5.500 5.298 4.345 5.650 0.150 7 0 "[ . 1]" 1
40 1 19 TYR H 1 19 TYR QB 2.000 . 2.700 2.322 2.186 2.737 0.037 7 0 "[ . 1]" 1
41 1 18 LEU QB 1 19 TYR H 2.000 . 3.300 2.923 2.326 3.355 0.055 2 0 "[ . 1]" 1
42 1 18 LEU MD1 1 19 TYR H 2.000 . 3.300 3.302 3.130 3.364 0.064 1 0 "[ . 1]" 1
43 1 20 PHE H 1 20 PHE HA 2.000 . 2.700 2.884 2.844 2.913 0.213 10 0 "[ . 1]" 1
44 1 20 PHE H 1 20 PHE QB 2.000 . 2.700 2.531 2.141 2.729 0.029 3 0 "[ . 1]" 1
45 1 20 PHE H 1 21 GLN H 2.000 . 3.300 2.139 1.698 2.775 . 0 0 "[ . 1]" 1
46 1 21 GLN H 1 21 GLN QE 2.000 . 4.000 4.302 3.592 5.263 1.263 4 3 "[ - +. *1]" 1
47 1 21 GLN H 1 21 GLN QG 2.000 . 2.700 2.692 2.616 2.728 0.028 7 0 "[ . 1]" 1
48 1 21 GLN H 1 21 GLN QB 2.000 . 3.300 2.320 2.296 2.377 . 0 0 "[ . 1]" 1
49 1 23 ASN H 1 23 ASN QB 2.000 . 2.700 2.513 2.343 2.683 . 0 0 "[ . 1]" 1
50 1 23 ASN H 1 24 ALA MB 2.000 . 4.000 3.875 3.715 4.065 0.065 9 0 "[ . 1]" 1
51 1 23 ASN QB 1 23 ASN HD21 2.000 . 2.700 2.025 1.974 2.044 . 0 0 "[ . 1]" 1
52 1 23 ASN QB 1 24 ALA H 2.000 . 5.500 2.841 2.326 3.857 . 0 0 "[ . 1]" 1
53 1 24 ALA H 1 24 ALA MB 2.000 . 2.700 2.324 2.235 2.774 0.074 3 0 "[ . 1]" 1
54 1 24 ALA H 1 25 GLY H 2.000 . 5.500 4.537 3.991 4.634 . 0 0 "[ . 1]" 1
55 1 25 GLY H 1 26 LYS H 2.000 . 2.700 2.039 1.633 2.258 . 0 0 "[ . 1]" 1
56 1 25 GLY H 1 26 LYS HA 2.000 . 5.500 4.692 4.410 4.916 . 0 0 "[ . 1]" 1
57 1 25 GLY H 1 25 GLY QA 2.000 . 2.700 2.387 2.320 2.466 . 0 0 "[ . 1]" 1
58 1 23 ASN QB 1 25 GLY H 2.000 . 6.000 5.790 4.956 6.022 0.022 4 0 "[ . 1]" 1
59 1 24 ALA MB 1 25 GLY H 2.000 . 3.300 2.760 2.611 3.130 . 0 0 "[ . 1]" 1
60 1 25 GLY H 1 79 VAL MG1 2.000 . 5.500 5.441 5.073 5.554 0.054 6 0 "[ . 1]" 1
61 1 25 GLY H 1 79 VAL MG2 2.000 . 5.500 5.377 5.085 5.494 . 0 0 "[ . 1]" 1
62 1 26 LYS H 1 27 MET H 2.000 . 4.500 4.558 4.534 4.577 0.077 9 0 "[ . 1]" 1
63 1 26 LYS H 1 100 ALA H 2.000 . 5.500 4.933 4.696 5.352 . 0 0 "[ . 1]" 1
64 1 24 ALA H 1 26 LYS H 2.000 . 5.500 5.464 4.975 5.574 0.074 8 0 "[ . 1]" 1
65 1 24 ALA HA 1 26 LYS H 2.000 . 3.300 3.312 3.265 3.388 0.088 3 0 "[ . 1]" 1
66 1 25 GLY HA3 1 26 LYS H 2.000 . 3.300 3.237 3.086 3.334 0.034 3 0 "[ . 1]" 1
67 1 25 GLY HA2 1 26 LYS H 2.000 . 3.300 3.327 3.238 3.391 0.091 5 0 "[ . 1]" 1
68 1 26 LYS H 1 26 LYS QB 2.000 . 3.300 2.385 2.108 2.811 . 0 0 "[ . 1]" 1
69 1 26 LYS H 1 26 LYS QD 2.000 . 3.300 3.349 3.205 3.439 0.139 6 0 "[ . 1]" 1
70 1 26 LYS H 1 26 LYS QG 2.000 . 3.300 2.668 1.999 3.144 . 0 0 "[ . 1]" 1
71 1 27 MET H 1 73 PHE H 2.000 . 4.000 4.099 4.042 4.149 0.149 1 0 "[ . 1]" 1
72 1 27 MET H 1 71 VAL H 2.000 . 3.300 2.703 2.617 2.787 . 0 0 "[ . 1]" 1
73 1 27 MET H 1 27 MET QG 2.000 . 4.000 3.531 3.322 3.941 . 0 0 "[ . 1]" 1
74 1 27 MET H 1 27 MET HB3 2.000 . 3.300 3.439 3.260 3.498 0.198 8 0 "[ . 1]" 1
75 1 27 MET H 1 27 MET HB2 2.000 . 3.300 2.410 2.337 2.600 . 0 0 "[ . 1]" 1
76 1 26 LYS QG 1 27 MET H 2.000 . 3.300 3.307 3.136 3.378 0.078 4 0 "[ . 1]" 1
77 1 26 LYS HA 1 27 MET H 2.000 . 2.700 2.366 2.194 2.575 . 0 0 "[ . 1]" 1
78 1 27 MET H 1 28 PHE H 2.000 . 4.000 4.283 4.220 4.327 0.327 10 0 "[ . 1]" 1
79 1 28 PHE H 1 98 LYS H 2.000 . 3.300 3.153 2.949 3.327 0.027 1 0 "[ . 1]" 1
80 1 28 PHE H 1 29 ILE H 2.000 . 4.000 4.148 4.096 4.193 0.193 1 0 "[ . 1]" 1
81 1 28 PHE H 1 71 VAL H 2.000 . 5.500 4.831 4.741 4.892 . 0 0 "[ . 1]" 1
82 1 28 PHE H 1 100 ALA H 2.000 . 4.000 3.869 3.590 4.050 0.050 10 0 "[ . 1]" 1
83 1 28 PHE H 1 28 PHE QD 2.000 . 5.500 4.257 4.209 4.326 . 0 0 "[ . 1]" 1
84 1 28 PHE H 1 99 VAL HA 2.000 . 4.000 3.214 2.998 3.479 . 0 0 "[ . 1]" 1
85 1 28 PHE H 1 28 PHE QB 2.000 . 2.700 2.321 2.232 2.422 . 0 0 "[ . 1]" 1
86 1 27 MET QB 1 28 PHE H 2.000 . 4.000 2.927 2.630 3.384 . 0 0 "[ . 1]" 1
87 1 28 PHE H 1 29 ILE MD 2.000 . 5.500 3.649 3.490 3.805 . 0 0 "[ . 1]" 1
88 1 28 PHE H 1 29 ILE QG 2.000 . 5.500 4.677 4.513 4.781 . 0 0 "[ . 1]" 1
89 1 29 ILE H 1 70 PHE HA 2.000 . 2.700 2.406 2.369 2.450 . 0 0 "[ . 1]" 1
90 1 28 PHE QD 1 29 ILE H 2.000 . 2.700 2.646 2.530 2.752 0.052 1 0 "[ . 1]" 1
91 1 29 ILE H 1 98 LYS H 2.000 . 5.500 4.689 4.607 4.776 . 0 0 "[ . 1]" 1
92 1 29 ILE H 1 69 GLY H 2.000 . 3.300 3.412 3.384 3.429 0.129 2 0 "[ . 1]" 1
93 1 29 ILE H 1 70 PHE H 2.000 . 4.000 4.208 4.183 4.232 0.232 4 0 "[ . 1]" 1
94 1 28 PHE QB 1 29 ILE H 2.000 . 4.000 3.944 3.913 3.971 . 0 0 "[ . 1]" 1
95 1 29 ILE H 1 29 ILE HG13 2.000 . 3.300 3.419 3.400 3.438 0.138 1 0 "[ . 1]" 1
96 1 29 ILE H 1 71 VAL MG2 2.000 . 5.500 4.417 4.327 4.478 . 0 0 "[ . 1]" 1
97 1 29 ILE H 1 29 ILE HB 2.000 . 2.700 2.811 2.785 2.839 0.139 3 0 "[ . 1]" 1
98 1 29 ILE H 1 29 ILE MG 2.000 . 5.500 3.781 3.764 3.794 . 0 0 "[ . 1]" 1
99 1 29 ILE H 1 32 LEU MD1 2.000 . 5.500 4.594 4.461 4.704 . 0 0 "[ . 1]" 1
100 1 29 ILE H 1 29 ILE MD 2.000 . 4.000 2.915 2.847 2.990 . 0 0 "[ . 1]" 1
101 1 29 ILE H 1 30 GLY H 2.000 . 4.000 4.288 4.242 4.357 0.357 10 0 "[ . 1]" 1
102 1 30 GLY H 1 96 ASP H 2.000 . 3.300 3.097 3.051 3.140 . 0 0 "[ . 1]" 1
103 1 30 GLY H 1 95 ILE HA 2.000 . 5.500 5.573 5.535 5.600 0.100 10 0 "[ . 1]" 1
104 1 30 GLY H 1 30 GLY HA3 2.000 . 2.700 2.403 2.368 2.454 . 0 0 "[ . 1]" 1
105 1 30 GLY H 1 30 GLY HA2 2.000 . 2.700 2.886 2.872 2.896 0.196 5 0 "[ . 1]" 1
106 1 30 GLY H 1 96 ASP HB3 2.000 . 3.300 3.285 3.221 3.344 0.044 10 0 "[ . 1]" 1
107 1 30 GLY H 1 96 ASP HB2 2.000 . 5.500 4.623 4.577 4.675 . 0 0 "[ . 1]" 1
108 1 29 ILE MG 1 30 GLY H 2.000 . 3.300 3.055 2.874 3.173 . 0 0 "[ . 1]" 1
109 1 29 ILE MD 1 30 GLY H 2.000 . 5.500 4.378 4.330 4.413 . 0 0 "[ . 1]" 1
110 1 30 GLY H 1 31 GLY H 2.000 . 4.500 4.506 4.474 4.523 0.023 7 0 "[ . 1]" 1
111 1 31 GLY H 1 32 LEU H 2.000 . 2.700 2.706 2.675 2.720 0.020 2 0 "[ . 1]" 1
112 1 31 GLY H 1 68 PHE H 2.000 . 5.500 5.155 5.052 5.272 . 0 0 "[ . 1]" 1
113 1 30 GLY HA3 1 31 GLY H 2.000 . 2.700 2.756 2.737 2.787 0.087 9 0 "[ . 1]" 1
114 1 30 GLY HA2 1 31 GLY H 2.000 . 2.700 2.245 2.175 2.273 . 0 0 "[ . 1]" 1
115 1 31 GLY H 1 68 PHE HB3 2.000 . 4.000 3.241 2.937 3.512 . 0 0 "[ . 1]" 1
116 1 31 GLY H 1 68 PHE HB2 2.000 . 4.000 3.938 3.785 4.024 0.024 1 0 "[ . 1]" 1
117 1 31 GLY H 1 32 LEU HG 2.000 . 4.000 4.046 4.036 4.069 0.069 10 0 "[ . 1]" 1
118 1 31 GLY H 1 32 LEU QB 2.000 . 5.500 4.869 4.841 4.887 . 0 0 "[ . 1]" 1
119 1 32 LEU H 1 67 GLY H 2.000 . 5.500 5.527 5.493 5.553 0.053 4 0 "[ . 1]" 1
120 1 32 LEU H 1 32 LEU QB 2.000 . 2.700 2.557 2.531 2.578 . 0 0 "[ . 1]" 1
121 1 32 LEU H 1 32 LEU HG 2.000 . 2.700 2.043 2.020 2.081 . 0 0 "[ . 1]" 1
122 1 32 LEU H 1 68 PHE HA 2.000 . 3.300 3.039 2.880 3.138 . 0 0 "[ . 1]" 1
123 1 32 LEU H 1 33 SER H 2.000 . 4.500 4.643 4.634 4.649 0.149 6 0 "[ . 1]" 1
124 1 33 SER H 1 35 GLN H 2.000 . 5.000 4.397 4.368 4.420 . 0 0 "[ . 1]" 1
125 1 33 SER H 1 36 THR H 2.000 . 3.300 3.430 3.416 3.448 0.148 6 0 "[ . 1]" 1
126 1 33 SER H 1 34 TRP HA 2.000 . 5.500 5.413 5.395 5.437 . 0 0 "[ . 1]" 1
127 1 32 LEU HA 1 33 SER H 2.000 . 2.700 2.544 2.510 2.566 . 0 0 "[ . 1]" 1
128 1 33 SER H 1 36 THR HA 2.000 . 5.500 4.861 4.807 4.939 . 0 0 "[ . 1]" 1
129 1 33 SER H 1 33 SER HB3 2.000 . 2.700 2.679 2.639 2.703 0.003 1 0 "[ . 1]" 1
130 1 33 SER H 1 33 SER HB2 2.000 . 3.300 2.623 2.594 2.655 . 0 0 "[ . 1]" 1
131 1 33 SER H 1 36 THR HB 2.000 . 4.000 2.773 2.655 2.855 . 0 0 "[ . 1]" 1
132 1 33 SER H 1 91 ASP QB 2.000 . 6.000 4.598 4.410 4.822 . 0 0 "[ . 1]" 1
133 1 33 SER H 1 93 LYS QG 2.000 . 5.500 5.528 5.507 5.540 0.040 5 0 "[ . 1]" 1
134 1 33 SER H 1 90 LEU MD1 2.000 . 4.000 4.019 3.993 4.034 0.034 3 0 "[ . 1]" 1
135 1 32 LEU MD1 1 33 SER H 2.000 . 5.500 4.460 4.406 4.507 . 0 0 "[ . 1]" 1
136 1 32 LEU MD2 1 33 SER H 2.000 . 5.500 3.606 3.552 3.633 . 0 0 "[ . 1]" 1
137 1 33 SER H 1 36 THR MG 2.000 . 4.000 3.340 3.262 3.449 . 0 0 "[ . 1]" 1
138 1 34 TRP H 1 34 TRP HE1 2.000 . 4.000 4.099 4.086 4.110 0.110 8 0 "[ . 1]" 1
139 1 33 SER H 1 34 TRP H 2.000 . 4.000 4.373 4.367 4.378 0.378 10 0 "[ . 1]" 1
140 1 34 TRP H 1 34 TRP HD1 2.000 . 2.700 1.559 1.555 1.567 . 0 0 "[ . 1]" 1
141 1 33 SER HA 1 34 TRP H 2.000 . 2.700 2.453 2.444 2.466 . 0 0 "[ . 1]" 1
142 1 34 TRP H 1 34 TRP HA 2.000 . 2.700 2.817 2.814 2.819 0.119 9 0 "[ . 1]" 1
143 1 33 SER QB 1 34 TRP H 2.000 . 3.300 2.931 2.910 2.959 . 0 0 "[ . 1]" 1
144 1 34 TRP H 1 35 GLN HA 2.000 . 5.500 5.089 5.078 5.098 . 0 0 "[ . 1]" 1
145 1 34 TRP H 1 34 TRP HB3 2.000 . 2.700 2.530 2.512 2.540 . 0 0 "[ . 1]" 1
146 1 34 TRP H 1 34 TRP HB2 2.000 . 3.300 3.517 3.511 3.521 0.221 9 0 "[ . 1]" 1
147 1 34 TRP H 1 35 GLN QB 2.000 . 5.500 4.302 4.289 4.323 . 0 0 "[ . 1]" 1
148 1 34 TRP H 1 35 GLN QG 2.000 . 4.000 4.025 4.016 4.037 0.037 5 0 "[ . 1]" 1
149 1 34 TRP HB3 1 34 TRP HE1 2.000 . 5.500 4.952 4.940 4.974 . 0 0 "[ . 1]" 1
150 1 34 TRP HB2 1 34 TRP HE1 2.000 . 5.500 5.270 5.266 5.273 . 0 0 "[ . 1]" 1
151 1 33 SER HB2 1 34 TRP HE1 2.000 . 5.500 5.481 5.455 5.505 0.005 9 0 "[ . 1]" 1
152 1 34 TRP HE1 1 35 GLN QB 2.000 . 4.000 4.068 4.061 4.077 0.077 10 0 "[ . 1]" 1
153 1 34 TRP HE1 1 35 GLN QG 2.000 . 4.000 2.727 2.668 2.809 . 0 0 "[ . 1]" 1
154 1 34 TRP H 1 35 GLN H 2.000 . 3.300 2.453 2.438 2.469 . 0 0 "[ . 1]" 1
155 1 35 GLN H 1 36 THR H 2.000 . 4.500 2.140 2.121 2.163 . 0 0 "[ . 1]" 1
156 1 34 TRP HD1 1 35 GLN H 2.000 . 4.000 2.680 2.596 2.778 . 0 0 "[ . 1]" 1
157 1 35 GLN H 1 35 GLN HE21 2.000 . 5.500 5.540 5.534 5.546 0.046 2 0 "[ . 1]" 1
158 1 33 SER QB 1 35 GLN H 2.000 . 3.300 2.442 2.406 2.483 . 0 0 "[ . 1]" 1
159 1 34 TRP QB 1 35 GLN H 2.000 . 4.000 3.660 3.654 3.674 . 0 0 "[ . 1]" 1
160 1 35 GLN H 1 35 GLN QG 2.000 . 2.700 2.700 2.684 2.712 0.012 3 0 "[ . 1]" 1
161 1 35 GLN H 1 35 GLN QB 2.000 . 3.300 2.279 2.262 2.292 . 0 0 "[ . 1]" 1
162 1 35 GLN H 1 36 THR MG 2.000 . 5.500 5.349 5.329 5.375 . 0 0 "[ . 1]" 1
163 1 35 GLN HA 1 35 GLN HE21 2.000 . 5.500 4.111 4.087 4.130 . 0 0 "[ . 1]" 1
164 1 35 GLN HE21 1 35 GLN QG 2.000 . 2.700 2.237 2.235 2.241 . 0 0 "[ . 1]" 1
165 1 35 GLN QB 1 35 GLN HE21 2.000 . 4.000 2.662 2.644 2.668 . 0 0 "[ . 1]" 1
166 1 35 GLN HA 1 35 GLN HE22 2.000 . 5.500 5.528 5.514 5.541 0.041 6 0 "[ . 1]" 1
167 1 36 THR H 1 37 SER H 2.000 . 5.500 4.407 4.384 4.428 . 0 0 "[ . 1]" 1
168 1 36 THR H 1 36 THR HB 2.000 . 2.700 2.816 2.792 2.828 0.128 5 0 "[ . 1]" 1
169 1 33 SER QB 1 36 THR H 2.000 . 5.500 2.486 2.424 2.553 . 0 0 "[ . 1]" 1
170 1 35 GLN HA 1 36 THR H 2.000 . 3.300 3.442 3.437 3.449 0.149 6 0 "[ . 1]" 1
171 1 34 TRP H 1 36 THR H 2.000 . 4.000 3.978 3.950 3.999 . 0 0 "[ . 1]" 1
172 1 35 GLN QB 1 36 THR H 2.000 . 2.700 2.837 2.827 2.844 0.144 4 0 "[ . 1]" 1
173 1 36 THR H 1 36 THR MG 2.000 . 4.000 3.677 3.667 3.703 . 0 0 "[ . 1]" 1
174 1 32 LEU QB 1 36 THR H 2.000 . 5.500 4.393 4.352 4.449 . 0 0 "[ . 1]" 1
175 1 32 LEU MD2 1 36 THR H 2.000 . 5.500 5.506 5.438 5.529 0.029 2 0 "[ . 1]" 1
176 1 37 SER H 1 56 VAL MG2 2.000 . 5.500 4.877 4.764 5.123 . 0 0 "[ . 1]" 1
177 1 37 SER H 1 56 VAL MG1 2.000 . 5.500 5.571 5.527 5.667 0.167 10 0 "[ . 1]" 1
178 1 36 THR MG 1 37 SER H 2.000 . 3.300 3.057 3.027 3.093 . 0 0 "[ . 1]" 1
179 1 39 ASP H 1 42 ARG H 2.000 . 5.500 4.427 4.383 4.459 . 0 0 "[ . 1]" 1
180 1 37 SER H 1 39 ASP H 2.000 . 5.500 4.656 4.598 4.692 . 0 0 "[ . 1]" 1
181 1 39 ASP H 1 41 LEU H 2.000 . 4.000 3.760 3.706 4.045 0.045 10 0 "[ . 1]" 1
182 1 37 SER HA 1 39 ASP H 2.000 . 4.000 4.109 4.099 4.129 0.129 10 0 "[ . 1]" 1
183 1 38 PRO HA 1 39 ASP H 2.000 . 3.300 3.436 3.429 3.443 0.143 1 0 "[ . 1]" 1
184 1 37 SER QB 1 39 ASP H 2.000 . 4.000 2.618 2.542 2.874 . 0 0 "[ . 1]" 1
185 1 38 PRO QD 1 39 ASP H 2.000 . 4.000 3.001 2.972 3.082 . 0 0 "[ . 1]" 1
186 1 38 PRO QG 1 39 ASP H 2.000 . 2.700 2.689 2.672 2.723 0.023 10 0 "[ . 1]" 1
187 1 38 PRO QB 1 39 ASP H 2.000 . 3.300 3.238 3.228 3.250 . 0 0 "[ . 1]" 1
188 1 39 ASP H 1 39 ASP HB3 2.000 . 3.300 3.402 3.365 3.423 0.123 2 0 "[ . 1]" 1
189 1 39 ASP H 1 39 ASP HB2 2.000 . 2.700 2.106 2.101 2.112 . 0 0 "[ . 1]" 1
190 1 36 THR MG 1 39 ASP H 2.000 . 6.000 5.795 5.671 5.851 . 0 0 "[ . 1]" 1
191 1 40 SER H 1 41 LEU H 2.000 . 2.700 2.488 2.461 2.663 . 0 0 "[ . 1]" 1
192 1 40 SER H 1 42 ARG H 2.000 . 4.000 3.825 3.767 3.886 . 0 0 "[ . 1]" 1
193 1 37 SER H 1 40 SER H 2.000 . 3.300 3.296 3.259 3.323 0.023 1 0 "[ . 1]" 1
194 1 40 SER H 1 40 SER HB3 2.000 . 3.300 2.601 2.576 2.617 . 0 0 "[ . 1]" 1
195 1 40 SER H 1 40 SER HB2 2.000 . 2.700 2.514 2.500 2.534 . 0 0 "[ . 1]" 1
196 1 37 SER HA 1 40 SER H 2.000 . 5.500 4.298 4.271 4.375 . 0 0 "[ . 1]" 1
197 1 39 ASP HA 1 40 SER H 2.000 . 3.300 3.438 3.423 3.442 0.142 8 0 "[ . 1]" 1
198 1 40 SER H 1 41 LEU QB 2.000 . 5.500 4.023 3.887 5.137 . 0 0 "[ . 1]" 1
199 1 36 THR MG 1 40 SER H 2.000 . 6.000 4.583 4.408 4.674 . 0 0 "[ . 1]" 1
200 1 39 ASP HB3 1 40 SER H 2.000 . 3.300 3.310 3.294 3.323 0.023 6 0 "[ . 1]" 1
201 1 39 ASP HB2 1 40 SER H 2.000 . 3.300 2.922 2.834 3.054 . 0 0 "[ . 1]" 1
202 1 38 PRO HD3 1 40 SER H 2.000 . 5.500 5.358 5.325 5.395 . 0 0 "[ . 1]" 1
203 1 38 PRO HD2 1 40 SER H 2.000 . 5.500 4.547 4.512 4.661 . 0 0 "[ . 1]" 1
204 1 40 SER H 1 42 ARG HB3 2.000 . 5.500 5.353 5.107 5.461 . 0 0 "[ . 1]" 1
205 1 40 SER H 1 42 ARG HB2 2.000 . 5.500 5.107 5.012 5.234 . 0 0 "[ . 1]" 1
206 1 40 SER H 1 41 LEU HG 2.000 . 5.500 5.387 4.028 5.558 0.058 1 0 "[ . 1]" 1
207 1 41 LEU H 1 42 ARG H 2.000 . 2.700 2.446 2.426 2.483 . 0 0 "[ . 1]" 1
208 1 41 LEU H 1 43 ASP H 2.000 . 4.000 3.909 3.853 4.073 0.073 10 0 "[ . 1]" 1
209 1 38 PRO HA 1 41 LEU H 2.000 . 3.300 3.364 3.345 3.420 0.120 10 0 "[ . 1]" 1
210 1 40 SER QB 1 41 LEU H 2.000 . 3.300 2.655 2.525 2.690 . 0 0 "[ . 1]" 1
211 1 37 SER HA 1 41 LEU H 2.000 . 5.500 5.050 4.999 5.235 . 0 0 "[ . 1]" 1
212 1 39 ASP HB3 1 41 LEU H 2.000 . 5.500 5.302 5.257 5.544 0.044 10 0 "[ . 1]" 1
213 1 39 ASP HB2 1 41 LEU H 2.000 . 5.500 5.099 5.011 5.451 . 0 0 "[ . 1]" 1
214 1 41 LEU H 1 41 LEU HB3 2.000 . 2.700 3.076 2.911 3.109 0.409 2 0 "[ . 1]" 1
215 1 41 LEU H 1 41 LEU HB2 2.000 . 3.300 2.005 1.830 3.532 0.232 10 0 "[ . 1]" 1
216 1 38 PRO HB3 1 41 LEU H 2.000 . 5.500 5.561 5.544 5.644 0.144 10 0 "[ . 1]" 1
217 1 38 PRO HB2 1 41 LEU H 2.000 . 5.500 5.372 5.347 5.528 0.028 10 0 "[ . 1]" 1
218 1 41 LEU H 1 41 LEU MD2 2.000 . 5.500 3.935 2.032 4.156 . 0 0 "[ . 1]" 1
219 1 36 THR MG 1 41 LEU H 2.000 . 5.500 3.488 3.199 3.585 . 0 0 "[ . 1]" 1
220 1 41 LEU H 1 56 VAL MG2 2.000 . 5.500 4.279 4.226 4.368 . 0 0 "[ . 1]" 1
221 1 41 LEU H 1 41 LEU HG 2.000 . 3.300 3.238 2.001 3.391 0.091 1 0 "[ . 1]" 1
222 1 42 ARG H 1 43 ASP H 2.000 . 2.700 2.513 2.446 2.556 . 0 0 "[ . 1]" 1
223 1 42 ARG H 1 42 ARG HA 2.000 . 2.700 2.809 2.801 2.819 0.119 3 0 "[ . 1]" 1
224 1 42 ARG H 1 42 ARG QB 2.000 . 2.700 2.147 2.120 2.204 . 0 0 "[ . 1]" 1
225 1 42 ARG H 1 42 ARG QG 2.000 . 4.000 3.837 3.791 3.900 . 0 0 "[ . 1]" 1
226 1 42 ARG H 1 42 ARG HE 2.000 . 5.500 4.563 4.242 5.126 . 0 0 "[ . 1]" 1
227 1 41 LEU MD1 1 42 ARG H 2.000 . 5.500 4.497 3.593 4.647 . 0 0 "[ . 1]" 1
228 1 42 ARG H 1 51 ILE MD 2.000 . 5.500 4.570 4.535 4.672 . 0 0 "[ . 1]" 1
229 1 38 PRO HA 1 42 ARG H 2.000 . 4.000 4.030 3.934 4.051 0.051 4 0 "[ . 1]" 1
230 1 43 ASP H 1 43 ASP HA 2.000 . 2.700 2.812 2.803 2.827 0.127 10 0 "[ . 1]" 1
231 1 43 ASP H 1 43 ASP QB 2.000 . 2.700 2.101 2.045 2.136 . 0 0 "[ . 1]" 1
232 1 43 ASP H 1 44 TYR QB 2.000 . 5.500 4.410 4.293 4.465 . 0 0 "[ . 1]" 1
233 1 39 ASP HB3 1 43 ASP H 2.000 . 5.500 4.686 4.657 4.706 . 0 0 "[ . 1]" 1
234 1 39 ASP HB2 1 43 ASP H 2.000 . 5.500 5.671 5.657 5.693 0.193 10 0 "[ . 1]" 1
235 1 44 TYR H 1 46 SER H 2.000 . 4.000 3.863 3.851 3.879 . 0 0 "[ . 1]" 1
236 1 43 ASP H 1 44 TYR H 2.000 . 2.700 2.686 2.602 2.709 0.009 6 0 "[ . 1]" 1
237 1 44 TYR H 1 45 PHE H 2.000 . 2.700 2.628 2.617 2.641 . 0 0 "[ . 1]" 1
238 1 44 TYR H 1 45 PHE QD 2.000 . 4.000 4.088 4.054 4.127 0.127 5 0 "[ . 1]" 1
239 1 43 ASP HA 1 44 TYR H 2.000 . 4.000 3.559 3.517 3.570 . 0 0 "[ . 1]" 1
240 1 40 SER HA 1 44 TYR H 2.000 . 4.500 3.888 3.850 4.046 . 0 0 "[ . 1]" 1
241 1 44 TYR H 1 44 TYR HA 2.000 . 2.700 2.838 2.833 2.840 0.140 5 0 "[ . 1]" 1
242 1 41 LEU HA 1 44 TYR H 2.000 . 3.300 3.360 3.044 3.423 0.123 9 0 "[ . 1]" 1
243 1 42 ARG HA 1 44 TYR H 2.000 . 5.500 4.449 4.372 4.482 . 0 0 "[ . 1]" 1
244 1 44 TYR H 1 44 TYR HB3 2.000 . 3.300 2.873 2.798 3.277 . 0 0 "[ . 1]" 1
245 1 44 TYR H 1 44 TYR HB2 2.000 . 3.300 2.246 2.059 2.299 . 0 0 "[ . 1]" 1
246 1 43 ASP HB3 1 44 TYR H 2.000 . 3.300 3.261 3.084 3.335 0.035 9 0 "[ . 1]" 1
247 1 43 ASP HB2 1 44 TYR H 2.000 . 3.300 3.023 2.934 3.172 . 0 0 "[ . 1]" 1
248 1 45 PHE H 1 48 PHE H 2.000 . 5.500 5.369 5.180 5.479 . 0 0 "[ . 1]" 1
249 1 45 PHE H 1 47 LYS H 2.000 . 4.000 4.006 3.957 4.022 0.022 7 0 "[ . 1]" 1
250 1 45 PHE H 1 46 SER H 2.000 . 3.300 2.622 2.576 2.649 . 0 0 "[ . 1]" 1
251 1 41 LEU HA 1 45 PHE H 2.000 . 4.000 3.602 3.392 3.670 . 0 0 "[ . 1]" 1
252 1 44 TYR HA 1 45 PHE H 2.000 . 4.000 3.563 3.556 3.568 . 0 0 "[ . 1]" 1
253 1 45 PHE H 1 45 PHE HB3 2.000 . 3.300 3.433 3.422 3.449 0.149 5 0 "[ . 1]" 1
254 1 45 PHE H 1 45 PHE HB2 2.000 . 3.300 2.106 2.090 2.131 . 0 0 "[ . 1]" 1
255 1 44 TYR QB 1 45 PHE H 2.000 . 3.300 2.402 2.346 2.482 . 0 0 "[ . 1]" 1
256 1 41 LEU QB 1 45 PHE H 2.000 . 6.000 4.643 4.090 4.782 . 0 0 "[ . 1]" 1
257 1 42 ARG QG 1 45 PHE H 2.000 . 6.000 5.476 5.326 5.564 . 0 0 "[ . 1]" 1
258 1 45 PHE H 1 51 ILE MD 2.000 . 3.300 3.369 3.335 3.399 0.099 10 0 "[ . 1]" 1
259 1 46 SER H 1 49 GLY H 2.000 . 5.500 4.950 4.834 5.007 . 0 0 "[ . 1]" 1
260 1 42 ARG H 1 46 SER H 2.000 . 5.500 5.677 5.661 5.692 0.192 2 0 "[ . 1]" 1
261 1 46 SER H 1 47 LYS H 2.000 . 2.700 2.392 2.369 2.412 . 0 0 "[ . 1]" 1
262 1 46 SER H 1 48 PHE H 2.000 . 5.500 4.097 3.997 4.163 . 0 0 "[ . 1]" 1
263 1 43 ASP HA 1 46 SER H 2.000 . 4.000 3.798 3.739 3.828 . 0 0 "[ . 1]" 1
264 1 46 SER H 1 46 SER QB 2.000 . 3.300 2.389 2.256 2.667 . 0 0 "[ . 1]" 1
265 1 42 ARG HA 1 46 SER H 2.000 . 4.000 3.897 3.827 3.927 . 0 0 "[ . 1]" 1
266 1 45 PHE HB3 1 46 SER H 2.000 . 4.000 3.761 3.730 3.803 . 0 0 "[ . 1]" 1
267 1 45 PHE HB2 1 46 SER H 2.000 . 4.000 3.238 3.144 3.273 . 0 0 "[ . 1]" 1
268 1 44 TYR HB3 1 46 SER H 2.000 . 5.500 4.815 4.775 4.950 . 0 0 "[ . 1]" 1
269 1 44 TYR HB2 1 46 SER H 2.000 . 5.500 5.424 5.080 5.487 . 0 0 "[ . 1]" 1
270 1 46 SER H 1 47 LYS HG3 2.000 . 5.500 4.724 4.686 4.767 . 0 0 "[ . 1]" 1
271 1 46 SER H 1 47 LYS HG2 2.000 . 5.500 4.981 4.932 5.016 . 0 0 "[ . 1]" 1
272 1 46 SER H 1 51 ILE QG 2.000 . 5.500 4.440 4.398 4.481 . 0 0 "[ . 1]" 1
273 1 46 SER H 1 51 ILE HB 2.000 . 5.500 5.171 5.129 5.210 . 0 0 "[ . 1]" 1
274 1 46 SER H 1 47 LYS HB3 2.000 . 5.500 5.723 5.706 5.734 0.234 8 0 "[ . 1]" 1
275 1 46 SER H 1 47 LYS HB2 2.000 . 5.500 4.165 4.144 4.176 . 0 0 "[ . 1]" 1
276 1 46 SER H 1 51 ILE MD 2.000 . 3.300 2.400 2.367 2.431 . 0 0 "[ . 1]" 1
277 1 47 LYS H 1 48 PHE H 2.000 . 2.700 2.388 2.303 2.442 . 0 0 "[ . 1]" 1
278 1 44 TYR H 1 47 LYS H 2.000 . 5.500 5.240 5.178 5.296 . 0 0 "[ . 1]" 1
279 1 47 LYS H 1 47 LYS HA 2.000 . 2.700 2.866 2.860 2.874 0.174 5 0 "[ . 1]" 1
280 1 46 SER QB 1 47 LYS H 2.000 . 4.000 3.229 3.049 3.621 . 0 0 "[ . 1]" 1
281 1 47 LYS H 1 48 PHE QB 2.000 . 5.500 4.030 3.935 4.088 . 0 0 "[ . 1]" 1
282 1 47 LYS H 1 47 LYS QB 2.000 . 2.700 2.144 2.134 2.159 . 0 0 "[ . 1]" 1
283 1 47 LYS H 1 47 LYS HG3 2.000 . 3.300 3.327 3.316 3.345 0.045 8 0 "[ . 1]" 1
284 1 47 LYS H 1 47 LYS HG2 2.000 . 3.300 3.297 3.272 3.319 0.019 10 0 "[ . 1]" 1
285 1 47 LYS H 1 51 ILE MD 2.000 . 3.300 3.749 3.736 3.760 0.460 10 0 "[ . 1]" 1
286 1 48 PHE H 1 49 GLY H 2.000 . 2.700 2.030 1.998 2.090 . 0 0 "[ . 1]" 1
287 1 48 PHE H 1 48 PHE QB 2.000 . 2.700 2.241 2.152 2.354 . 0 0 "[ . 1]" 1
288 1 47 LYS QB 1 48 PHE H 2.000 . 3.300 3.135 3.086 3.171 . 0 0 "[ . 1]" 1
289 1 48 PHE H 1 51 ILE MD 2.000 . 5.500 4.098 4.019 4.167 . 0 0 "[ . 1]" 1
290 1 48 PHE H 1 82 VAL MG2 2.000 . 5.500 5.110 4.924 5.440 . 0 0 "[ . 1]" 1
291 1 49 GLY H 1 50 GLU H 2.000 . 4.000 4.171 4.162 4.185 0.185 9 0 "[ . 1]" 1
292 1 47 LYS H 1 49 GLY H 2.000 . 4.000 3.875 3.770 3.939 . 0 0 "[ . 1]" 1
293 1 49 GLY H 1 51 ILE H 2.000 . 6.000 5.682 5.631 5.718 . 0 0 "[ . 1]" 1
294 1 49 GLY H 1 51 ILE QG 2.000 . 5.500 4.599 4.498 4.651 . 0 0 "[ . 1]" 1
295 1 49 GLY H 1 51 ILE MD 2.000 . 5.500 3.926 3.864 4.013 . 0 0 "[ . 1]" 1
296 1 48 PHE QB 1 49 GLY H 2.000 . 3.300 2.781 2.727 2.811 . 0 0 "[ . 1]" 1
297 1 45 PHE QB 1 49 GLY H 2.000 . 5.500 4.712 4.500 4.823 . 0 0 "[ . 1]" 1
298 1 45 PHE HA 1 49 GLY H 2.000 . 5.500 4.729 4.493 4.854 . 0 0 "[ . 1]" 1
299 1 49 GLY H 1 49 GLY HA3 2.000 . 2.700 2.716 2.694 2.732 0.032 8 0 "[ . 1]" 1
300 1 49 GLY H 1 49 GLY HA2 2.000 . 2.700 2.806 2.791 2.823 0.123 3 0 "[ . 1]" 1
301 1 50 GLU H 1 51 ILE H 2.000 . 4.000 4.298 4.291 4.306 0.306 8 0 "[ . 1]" 1
302 1 50 GLU H 1 75 ASP H 2.000 . 5.500 4.700 4.462 4.912 . 0 0 "[ . 1]" 1
303 1 50 GLU H 1 74 ALA H 2.000 . 5.500 4.798 4.657 4.893 . 0 0 "[ . 1]" 1
304 1 46 SER HA 1 50 GLU H 2.000 . 5.500 5.036 4.936 5.130 . 0 0 "[ . 1]" 1
305 1 50 GLU H 1 50 GLU HA 2.000 . 2.700 2.863 2.861 2.868 0.168 5 0 "[ . 1]" 1
306 1 49 GLY HA3 1 50 GLU H 2.000 . 2.700 2.330 2.310 2.354 . 0 0 "[ . 1]" 1
307 1 49 GLY HA2 1 50 GLU H 2.000 . 2.700 2.781 2.759 2.798 0.098 5 0 "[ . 1]" 1
308 1 50 GLU H 1 50 GLU QG 2.000 . 4.000 4.013 4.009 4.018 0.018 5 0 "[ . 1]" 1
309 1 50 GLU H 1 50 GLU HB3 2.000 . 2.700 2.719 2.701 2.740 0.040 3 0 "[ . 1]" 1
310 1 50 GLU H 1 50 GLU HB2 2.000 . 2.700 2.724 2.719 2.736 0.036 5 0 "[ . 1]" 1
311 1 50 GLU HA 1 51 ILE H 2.000 . 2.700 2.018 2.010 2.027 . 0 0 "[ . 1]" 1
312 1 50 GLU QB 1 51 ILE H 2.000 . 4.000 3.530 3.518 3.537 . 0 0 "[ . 1]" 1
313 1 50 GLU HG3 1 51 ILE H 2.000 . 2.700 2.824 2.813 2.833 0.133 10 0 "[ . 1]" 1
314 1 50 GLU HG2 1 51 ILE H 2.000 . 2.700 2.807 2.798 2.815 0.115 2 0 "[ . 1]" 1
315 1 51 ILE H 1 51 ILE HB 2.000 . 2.700 2.565 2.525 2.591 . 0 0 "[ . 1]" 1
316 1 51 ILE H 1 51 ILE HG13 2.000 . 2.700 2.865 2.853 2.875 0.175 1 0 "[ . 1]" 1
317 1 51 ILE H 1 51 ILE MG 2.000 . 5.500 3.851 3.831 3.866 . 0 0 "[ . 1]" 1
318 1 51 ILE H 1 51 ILE MD 2.000 . 5.500 3.151 3.085 3.221 . 0 0 "[ . 1]" 1
319 1 51 ILE H 1 74 ALA MB 2.000 . 5.500 4.449 4.255 4.616 . 0 0 "[ . 1]" 1
320 1 52 ARG H 1 74 ALA H 2.000 . 2.700 2.768 2.748 2.785 0.085 10 0 "[ . 1]" 1
321 1 52 ARG H 1 72 THR H 2.000 . 5.500 4.386 4.314 4.433 . 0 0 "[ . 1]" 1
322 1 52 ARG H 1 53 GLU H 2.000 . 2.700 2.262 2.183 2.307 . 0 0 "[ . 1]" 1
323 1 51 ILE HA 1 52 ARG H 2.000 . 2.700 2.107 2.093 2.125 . 0 0 "[ . 1]" 1
324 1 52 ARG H 1 52 ARG QD 2.000 . 5.500 4.255 4.201 4.493 . 0 0 "[ . 1]" 1
325 1 52 ARG H 1 72 THR MG 2.000 . 4.000 4.003 3.917 4.047 0.047 5 0 "[ . 1]" 1
326 1 52 ARG H 1 53 GLU QB 2.000 . 5.500 4.658 4.562 4.686 . 0 0 "[ . 1]" 1
327 1 51 ILE HB 1 52 ARG H 2.000 . 4.000 4.008 3.976 4.029 0.029 7 0 "[ . 1]" 1
328 1 51 ILE MG 1 52 ARG H 2.000 . 2.700 2.377 2.305 2.412 . 0 0 "[ . 1]" 1
329 1 52 ARG H 1 52 ARG HB3 2.000 . 2.700 2.767 2.739 2.790 0.090 10 0 "[ . 1]" 1
330 1 52 ARG H 1 52 ARG HB2 2.000 . 2.700 2.237 2.204 2.282 . 0 0 "[ . 1]" 1
331 1 52 ARG H 1 52 ARG QG 2.000 . 5.500 3.893 3.873 3.926 . 0 0 "[ . 1]" 1
332 1 51 ILE HG13 1 52 ARG H 2.000 . 5.500 4.367 4.317 4.403 . 0 0 "[ . 1]" 1
333 1 53 GLU H 1 74 ALA H 2.000 . 5.500 5.001 4.927 5.040 . 0 0 "[ . 1]" 1
334 1 53 GLU H 1 73 PHE H 2.000 . 5.500 5.217 5.165 5.251 . 0 0 "[ . 1]" 1
335 1 53 GLU H 1 72 THR H 2.000 . 3.300 3.268 3.205 3.327 0.027 8 0 "[ . 1]" 1
336 1 53 GLU H 1 54 CYS H 2.000 . 4.000 4.247 4.237 4.272 0.272 10 0 "[ . 1]" 1
337 1 53 GLU H 1 72 THR HA 2.000 . 5.500 4.614 4.529 4.658 . 0 0 "[ . 1]" 1
338 1 53 GLU H 1 72 THR HB 2.000 . 2.700 2.228 2.084 2.290 . 0 0 "[ . 1]" 1
339 1 53 GLU H 1 54 CYS QB 2.000 . 5.500 4.671 4.626 4.723 . 0 0 "[ . 1]" 1
340 1 53 GLU H 1 53 GLU HB3 2.000 . 3.300 3.257 3.224 3.285 . 0 0 "[ . 1]" 1
341 1 53 GLU H 1 53 GLU HB2 2.000 . 3.300 3.231 3.137 3.276 . 0 0 "[ . 1]" 1
342 1 53 GLU H 1 53 GLU QG 2.000 . 5.500 4.286 4.238 4.393 . 0 0 "[ . 1]" 1
343 1 52 ARG HB3 1 53 GLU H 2.000 . 3.300 2.547 2.498 2.592 . 0 0 "[ . 1]" 1
344 1 52 ARG HB2 1 53 GLU H 2.000 . 3.300 3.417 3.400 3.472 0.172 8 0 "[ . 1]" 1
345 1 52 ARG QG 1 53 GLU H 2.000 . 4.000 4.109 4.083 4.144 0.144 10 0 "[ . 1]" 1
346 1 51 ILE HG13 1 53 GLU H 2.000 . 5.500 5.615 5.599 5.643 0.143 10 0 "[ . 1]" 1
347 1 51 ILE MG 1 53 GLU H 2.000 . 2.700 2.143 2.090 2.214 . 0 0 "[ . 1]" 1
348 1 53 GLU H 1 71 VAL MG1 2.000 . 4.000 4.063 4.036 4.106 0.106 8 0 "[ . 1]" 1
349 1 53 GLU H 1 72 THR MG 2.000 . 4.000 3.734 3.585 3.802 . 0 0 "[ . 1]" 1
350 1 54 CYS H 1 55 MET H 2.000 . 4.000 4.276 4.255 4.295 0.295 8 0 "[ . 1]" 1
351 1 54 CYS H 1 72 THR H 2.000 . 5.500 4.611 4.578 4.646 . 0 0 "[ . 1]" 1
352 1 42 ARG HE 1 54 CYS H 2.000 . 5.500 3.477 2.651 5.541 0.041 3 0 "[ . 1]" 1
353 1 54 CYS H 1 54 CYS QB 2.000 . 3.300 2.634 2.589 2.676 . 0 0 "[ . 1]" 1
354 1 53 GLU HB3 1 54 CYS H 2.000 . 4.000 3.346 3.289 3.386 . 0 0 "[ . 1]" 1
355 1 53 GLU HB2 1 54 CYS H 2.000 . 4.000 4.027 4.019 4.037 0.037 3 0 "[ . 1]" 1
356 1 51 ILE MG 1 54 CYS H 2.000 . 5.500 3.864 3.790 3.982 . 0 0 "[ . 1]" 1
357 1 54 CYS HA 1 55 MET H 2.000 . 2.700 2.221 2.196 2.244 . 0 0 "[ . 1]" 1
358 1 54 CYS QB 1 55 MET H 2.000 . 3.300 3.390 3.374 3.406 0.106 6 0 "[ . 1]" 1
359 1 55 MET H 1 55 MET QG 2.000 . 5.500 4.133 4.119 4.149 . 0 0 "[ . 1]" 1
360 1 55 MET H 1 55 MET HB3 2.000 . 3.300 2.818 2.796 2.865 . 0 0 "[ . 1]" 1
361 1 55 MET H 1 55 MET HB2 2.000 . 3.300 3.299 3.252 3.354 0.054 10 0 "[ . 1]" 1
362 1 55 MET H 1 71 VAL MG1 2.000 . 6.000 4.871 4.773 4.942 . 0 0 "[ . 1]" 1
363 1 41 LEU MD1 1 55 MET H 2.000 . 5.500 4.021 3.478 4.225 . 0 0 "[ . 1]" 1
364 1 55 MET H 1 71 VAL MG2 2.000 . 5.500 3.492 3.388 3.579 . 0 0 "[ . 1]" 1
365 1 56 VAL H 1 57 MET H 2.000 . 4.000 4.183 4.172 4.195 0.195 1 0 "[ . 1]" 1
366 1 55 MET H 1 56 VAL H 2.000 . 4.000 4.153 4.125 4.171 0.171 4 0 "[ . 1]" 1
367 1 56 VAL H 1 69 GLY QA 2.000 . 5.500 4.565 4.456 4.614 . 0 0 "[ . 1]" 1
368 1 55 MET QG 1 56 VAL H 2.000 . 3.300 2.669 2.607 2.722 . 0 0 "[ . 1]" 1
369 1 56 VAL H 1 56 VAL HB 2.000 . 2.700 2.688 2.656 2.712 0.012 2 0 "[ . 1]" 1
370 1 55 MET HB3 1 56 VAL H 2.000 . 4.000 4.051 4.020 4.073 0.073 10 0 "[ . 1]" 1
371 1 55 MET HB2 1 56 VAL H 2.000 . 4.000 4.061 4.038 4.086 0.086 3 0 "[ . 1]" 1
372 1 38 PRO QB 1 56 VAL H 2.000 . 2.700 2.775 2.748 2.803 0.103 10 0 "[ . 1]" 1
373 1 38 PRO QD 1 56 VAL H 2.000 . 4.000 4.057 4.038 4.082 0.082 10 0 "[ . 1]" 1
374 1 56 VAL H 1 56 VAL MG2 2.000 . 2.700 2.758 2.744 2.776 0.076 3 0 "[ . 1]" 1
375 1 57 MET H 1 70 PHE H 2.000 . 5.500 4.756 4.627 4.877 . 0 0 "[ . 1]" 1
376 1 56 VAL HA 1 57 MET H 2.000 . 2.700 2.067 2.054 2.077 . 0 0 "[ . 1]" 1
377 1 56 VAL HB 1 57 MET H 2.000 . 4.000 4.101 4.078 4.120 0.120 4 0 "[ . 1]" 1
378 1 56 VAL MG1 1 57 MET H 2.000 . 2.700 2.725 2.709 2.754 0.054 10 0 "[ . 1]" 1
379 1 56 VAL MG2 1 57 MET H 2.000 . 4.000 3.986 3.958 4.013 0.013 2 0 "[ . 1]" 1
380 1 32 LEU MD1 1 57 MET H 2.000 . 5.500 4.393 4.270 4.553 . 0 0 "[ . 1]" 1
381 1 57 MET H 1 57 MET QB 2.000 . 3.300 2.117 2.078 2.215 . 0 0 "[ . 1]" 1
382 1 57 MET H 1 57 MET QG 2.000 . 3.300 3.122 2.877 3.272 . 0 0 "[ . 1]" 1
383 1 57 MET H 1 58 ARG QB 2.000 . 5.500 5.482 5.144 5.566 0.066 4 0 "[ . 1]" 1
384 1 59 ASP H 1 63 LYS H 2.000 . 4.000 4.040 4.008 4.079 0.079 6 0 "[ . 1]" 1
385 1 59 ASP H 1 62 THR H 2.000 . 5.500 4.813 4.703 4.913 . 0 0 "[ . 1]" 1
386 1 59 ASP H 1 61 THR H 2.000 . 5.500 4.969 4.933 5.006 . 0 0 "[ . 1]" 1
387 1 59 ASP H 1 65 SER H 2.000 . 5.500 5.408 5.125 5.522 0.022 3 0 "[ . 1]" 1
388 1 59 ASP H 1 60 PRO QD 2.000 . 4.000 4.114 4.090 4.135 0.135 5 0 "[ . 1]" 1
389 1 59 ASP H 1 59 ASP HB3 2.000 . 3.300 3.426 3.406 3.443 0.143 6 0 "[ . 1]" 1
390 1 59 ASP H 1 59 ASP HB2 2.000 . 3.300 2.207 2.162 2.255 . 0 0 "[ . 1]" 1
391 1 58 ARG QB 1 59 ASP H 2.000 . 3.300 2.769 2.594 3.111 . 0 0 "[ . 1]" 1
392 1 58 ARG QG 1 59 ASP H 2.000 . 4.000 3.154 2.132 3.636 . 0 0 "[ . 1]" 1
393 1 59 ASP H 1 59 ASP HA 2.000 . 2.700 2.870 2.861 2.877 0.177 7 0 "[ . 1]" 1
394 1 61 THR H 1 63 LYS H 2.000 . 3.300 3.342 3.315 3.365 0.065 6 0 "[ . 1]" 1
395 1 61 THR H 1 61 THR HA 2.000 . 2.700 2.864 2.860 2.866 0.166 7 0 "[ . 1]" 1
396 1 61 THR H 1 62 THR HA 2.000 . 5.500 5.110 5.101 5.118 . 0 0 "[ . 1]" 1
397 1 60 PRO QD 1 61 THR H 2.000 . 3.300 2.959 2.848 3.124 . 0 0 "[ . 1]" 1
398 1 61 THR H 1 63 LYS HA 2.000 . 5.500 4.902 4.827 4.946 . 0 0 "[ . 1]" 1
399 1 59 ASP HB3 1 61 THR H 2.000 . 4.000 2.577 2.550 2.617 . 0 0 "[ . 1]" 1
400 1 59 ASP HB2 1 61 THR H 2.000 . 4.000 4.078 4.057 4.092 0.092 3 0 "[ . 1]" 1
401 1 61 THR H 1 61 THR MG 2.000 . 2.700 2.642 2.619 2.654 . 0 0 "[ . 1]" 1
402 1 61 THR H 1 62 THR H 2.000 . 2.700 2.491 2.465 2.542 . 0 0 "[ . 1]" 1
403 1 62 THR H 1 64 ARG H 2.000 . 4.000 3.662 3.535 3.808 . 0 0 "[ . 1]" 1
404 1 59 ASP HB3 1 62 THR H 2.000 . 4.000 2.707 2.554 2.985 . 0 0 "[ . 1]" 1
405 1 59 ASP HB2 1 62 THR H 2.000 . 4.000 3.586 3.385 3.814 . 0 0 "[ . 1]" 1
406 1 62 THR H 1 62 THR MG 2.000 . 2.700 2.791 2.762 2.817 0.117 2 0 "[ . 1]" 1
407 1 61 THR MG 1 62 THR H 2.000 . 4.000 4.016 4.013 4.021 0.021 3 0 "[ . 1]" 1
408 1 62 THR HA 1 63 LYS H 2.000 . 3.300 3.341 3.311 3.369 0.069 6 0 "[ . 1]" 1
409 1 63 LYS H 1 63 LYS HA 2.000 . 2.700 2.257 2.239 2.266 . 0 0 "[ . 1]" 1
410 1 63 LYS H 1 63 LYS QB 2.000 . 3.300 3.361 3.211 3.455 0.155 4 0 "[ . 1]" 1
411 1 63 LYS H 1 63 LYS QG 2.000 . 2.700 2.648 2.559 2.757 0.057 3 0 "[ . 1]" 1
412 1 63 LYS H 1 63 LYS QD 2.000 . 3.300 3.303 3.262 3.338 0.038 10 0 "[ . 1]" 1
413 1 63 LYS H 1 63 LYS QE 2.000 . 4.000 4.008 3.961 4.024 0.024 7 0 "[ . 1]" 1
414 1 63 LYS H 1 64 ARG H 2.000 . 2.700 2.700 2.647 2.748 0.048 10 0 "[ . 1]" 1
415 1 59 ASP H 1 64 ARG H 2.000 . 4.000 3.320 2.671 3.856 . 0 0 "[ . 1]" 1
416 1 64 ARG H 1 64 ARG QB 2.000 . 2.700 2.510 2.330 2.799 0.099 8 0 "[ . 1]" 1
417 1 64 ARG H 1 64 ARG QG 2.000 . 2.700 2.560 2.089 2.757 0.057 3 0 "[ . 1]" 1
418 1 63 LYS QB 1 64 ARG H 2.000 . 4.000 3.723 3.605 3.877 . 0 0 "[ . 1]" 1
419 1 63 LYS QG 1 64 ARG H 2.000 . 4.000 4.208 4.161 4.254 0.254 2 0 "[ . 1]" 1
420 1 59 ASP QB 1 64 ARG H 2.000 . 3.300 3.085 2.650 3.377 0.077 6 0 "[ . 1]" 1
421 1 58 ARG QB 1 64 ARG H 2.000 . 5.500 4.838 3.902 5.528 0.028 7 0 "[ . 1]" 1
422 1 65 SER H 1 65 SER QB 2.000 . 2.700 2.482 2.317 2.726 0.026 1 0 "[ . 1]" 1
423 1 64 ARG QB 1 65 SER H 2.000 . 4.000 2.951 2.602 3.162 . 0 0 "[ . 1]" 1
424 1 66 ARG H 1 67 GLY H 2.000 . 2.700 2.272 2.217 2.358 . 0 0 "[ . 1]" 1
425 1 65 SER H 1 67 GLY H 2.000 . 5.500 5.312 5.082 5.452 . 0 0 "[ . 1]" 1
426 1 67 GLY H 1 68 PHE H 2.000 . 2.700 2.376 2.340 2.419 . 0 0 "[ . 1]" 1
427 1 65 SER HA 1 67 GLY H 2.000 . 4.000 3.862 3.693 3.977 . 0 0 "[ . 1]" 1
428 1 66 ARG HA 1 67 GLY H 2.000 . 3.300 3.345 3.320 3.361 0.061 9 0 "[ . 1]" 1
429 1 67 GLY H 1 67 GLY QA 2.000 . 2.700 2.255 2.246 2.261 . 0 0 "[ . 1]" 1
430 1 66 ARG QB 1 67 GLY H 2.000 . 4.000 3.264 3.244 3.334 . 0 0 "[ . 1]" 1
431 1 66 ARG QG 1 67 GLY H 2.000 . 5.500 4.517 4.454 4.601 . 0 0 "[ . 1]" 1
432 1 69 GLY H 1 70 PHE H 2.000 . 4.000 4.220 4.205 4.236 0.236 6 0 "[ . 1]" 1
433 1 57 MET H 1 69 GLY H 2.000 . 5.500 5.100 5.014 5.175 . 0 0 "[ . 1]" 1
434 1 68 PHE QD 1 69 GLY H 2.000 . 3.300 3.131 2.885 3.300 0.000 7 0 "[ . 1]" 1
435 1 28 PHE QE 1 69 GLY H 2.000 . 4.000 3.409 3.314 3.551 . 0 0 "[ . 1]" 1
436 1 68 PHE HA 1 69 GLY H 2.000 . 2.700 2.295 2.250 2.350 . 0 0 "[ . 1]" 1
437 1 68 PHE QB 1 69 GLY H 2.000 . 3.300 2.772 2.648 2.964 . 0 0 "[ . 1]" 1
438 1 69 GLY H 1 69 GLY HA3 2.000 . 2.700 2.680 2.641 2.705 0.005 5 0 "[ . 1]" 1
439 1 69 GLY H 1 69 GLY HA2 2.000 . 2.700 2.827 2.811 2.846 0.146 7 0 "[ . 1]" 1
440 1 29 ILE HB 1 69 GLY H 2.000 . 3.300 3.243 3.028 3.308 0.008 6 0 "[ . 1]" 1
441 1 29 ILE QG 1 69 GLY H 2.000 . 5.500 4.150 4.032 4.210 . 0 0 "[ . 1]" 1
442 1 29 ILE MG 1 69 GLY H 2.000 . 5.500 4.528 4.361 4.608 . 0 0 "[ . 1]" 1
443 1 32 LEU MD1 1 69 GLY H 2.000 . 3.300 2.624 2.453 2.774 . 0 0 "[ . 1]" 1
444 1 32 LEU MD2 1 69 GLY H 2.000 . 5.500 4.133 3.998 4.267 . 0 0 "[ . 1]" 1
445 1 41 LEU MD2 1 69 GLY H 2.000 . 5.500 5.350 5.149 5.518 0.018 10 0 "[ . 1]" 1
446 1 70 PHE H 1 71 VAL H 2.000 . 4.000 4.287 4.277 4.302 0.302 10 0 "[ . 1]" 1
447 1 55 MET H 1 70 PHE H 2.000 . 3.300 3.328 3.277 3.365 0.065 9 0 "[ . 1]" 1
448 1 69 GLY HA3 1 70 PHE H 2.000 . 2.700 2.397 2.375 2.424 . 0 0 "[ . 1]" 1
449 1 69 GLY HA2 1 70 PHE H 2.000 . 2.700 2.636 2.621 2.662 . 0 0 "[ . 1]" 1
450 1 56 VAL HA 1 70 PHE H 2.000 . 3.500 3.466 3.409 3.519 0.019 2 0 "[ . 1]" 1
451 1 70 PHE H 1 70 PHE HB3 2.000 . 3.300 3.632 3.620 3.640 0.340 7 0 "[ . 1]" 1
452 1 70 PHE H 1 70 PHE HB2 2.000 . 2.700 2.509 2.489 2.526 . 0 0 "[ . 1]" 1
453 1 55 MET QB 1 70 PHE H 2.000 . 4.000 3.371 3.214 3.471 . 0 0 "[ . 1]" 1
454 1 41 LEU MD1 1 70 PHE H 2.000 . 4.000 3.746 3.616 3.863 . 0 0 "[ . 1]" 1
455 1 32 LEU MD1 1 70 PHE H 2.000 . 5.500 4.366 4.255 4.617 . 0 0 "[ . 1]" 1
456 1 70 PHE H 1 71 VAL HB 2.000 . 6.000 5.993 5.957 6.022 0.022 5 0 "[ . 1]" 1
457 1 54 CYS HA 1 70 PHE H 2.000 . 5.500 5.169 5.081 5.242 . 0 0 "[ . 1]" 1
458 1 55 MET QG 1 70 PHE H 2.000 . 4.000 4.056 4.038 4.071 0.071 6 0 "[ . 1]" 1
459 1 71 VAL H 1 72 THR H 2.000 . 5.500 4.094 4.041 4.142 . 0 0 "[ . 1]" 1
460 1 71 VAL H 1 73 PHE H 2.000 . 5.500 5.649 5.626 5.670 0.170 7 0 "[ . 1]" 1
461 1 70 PHE HA 1 71 VAL H 2.000 . 2.700 2.345 2.304 2.392 . 0 0 "[ . 1]" 1
462 1 71 VAL H 1 71 VAL MG2 2.000 . 3.300 3.231 3.192 3.311 0.011 6 0 "[ . 1]" 1
463 1 71 VAL H 1 71 VAL MG1 2.000 . 4.500 3.956 3.929 3.981 . 0 0 "[ . 1]" 1
464 1 70 PHE QB 1 71 VAL H 2.000 . 2.700 2.417 2.258 2.512 . 0 0 "[ . 1]" 1
465 1 26 LYS QD 1 71 VAL H 2.000 . 5.500 5.286 4.775 5.551 0.051 6 0 "[ . 1]" 1
466 1 26 LYS QG 1 71 VAL H 2.000 . 4.000 4.023 3.816 4.092 0.092 6 0 "[ . 1]" 1
467 1 71 VAL HA 1 72 THR H 2.000 . 2.700 2.029 2.005 2.051 . 0 0 "[ . 1]" 1
468 1 53 GLU HA 1 72 THR H 2.000 . 5.500 4.864 4.813 4.896 . 0 0 "[ . 1]" 1
469 1 72 THR H 1 72 THR HB 2.000 . 2.700 2.744 2.721 2.763 0.063 7 0 "[ . 1]" 1
470 1 54 CYS HB3 1 72 THR H 2.000 . 5.500 5.290 5.220 5.355 . 0 0 "[ . 1]" 1
471 1 54 CYS HB2 1 72 THR H 2.000 . 4.000 3.954 3.910 4.009 0.009 3 0 "[ . 1]" 1
472 1 71 VAL HB 1 72 THR H 2.000 . 4.000 4.075 4.052 4.096 0.096 3 0 "[ . 1]" 1
473 1 72 THR H 1 72 THR MG 2.000 . 4.000 3.806 3.785 3.814 . 0 0 "[ . 1]" 1
474 1 51 ILE MG 1 72 THR H 2.000 . 4.000 2.688 2.649 2.772 . 0 0 "[ . 1]" 1
475 1 71 VAL MG2 1 72 THR H 2.000 . 4.000 3.821 3.789 3.886 . 0 0 "[ . 1]" 1
476 1 71 VAL MG1 1 72 THR H 2.000 . 2.700 2.238 2.169 2.288 . 0 0 "[ . 1]" 1
477 1 73 PHE H 1 74 ALA H 2.000 . 5.500 4.476 4.458 4.494 . 0 0 "[ . 1]" 1
478 1 73 PHE H 1 73 PHE QD 2.000 . 2.700 2.717 2.429 2.799 0.099 6 0 "[ . 1]" 1
479 1 72 THR HA 1 73 PHE H 2.000 . 2.700 2.074 2.059 2.090 . 0 0 "[ . 1]" 1
480 1 73 PHE H 1 73 PHE HA 2.000 . 2.700 2.842 2.836 2.846 0.146 1 0 "[ . 1]" 1
481 1 51 ILE MG 1 73 PHE H 2.000 . 5.500 4.269 4.203 4.324 . 0 0 "[ . 1]" 1
482 1 73 PHE H 1 73 PHE HB2 2.000 . 3.300 2.183 2.161 2.272 . 0 0 "[ . 1]" 1
483 1 73 PHE H 1 73 PHE HB3 2.000 . 3.300 3.468 3.455 3.508 0.208 5 0 "[ . 1]" 1
484 1 52 ARG QB 1 73 PHE H 2.000 . 5.500 4.634 4.576 4.709 . 0 0 "[ . 1]" 1
485 1 72 THR MG 1 73 PHE H 2.000 . 2.700 2.960 2.930 3.015 0.315 6 0 "[ . 1]" 1
486 1 71 VAL MG1 1 73 PHE H 2.000 . 4.000 3.752 3.676 3.907 . 0 0 "[ . 1]" 1
487 1 27 MET QG 1 73 PHE H 2.000 . 5.500 5.090 4.580 5.558 0.058 6 0 "[ . 1]" 1
488 1 26 LYS QB 1 73 PHE H 2.000 . 5.500 4.562 3.344 5.380 . 0 0 "[ . 1]" 1
489 1 51 ILE HG13 1 73 PHE H 2.000 . 5.500 5.619 5.599 5.643 0.143 3 0 "[ . 1]" 1
490 1 74 ALA H 1 75 ASP H 2.000 . 2.700 2.670 2.607 2.702 0.002 7 0 "[ . 1]" 1
491 1 74 ALA H 1 74 ALA HA 2.000 . 2.700 2.818 2.806 2.829 0.129 1 0 "[ . 1]" 1
492 1 74 ALA H 1 75 ASP QB 2.000 . 5.500 4.194 4.124 4.255 . 0 0 "[ . 1]" 1
493 1 73 PHE QB 1 74 ALA H 2.000 . 3.300 3.329 3.305 3.350 0.050 10 0 "[ . 1]" 1
494 1 74 ALA H 1 74 ALA MB 2.000 . 2.700 2.263 2.250 2.277 . 0 0 "[ . 1]" 1
495 1 51 ILE QG 1 74 ALA H 2.000 . 5.500 4.210 4.137 4.335 . 0 0 "[ . 1]" 1
496 1 51 ILE HB 1 74 ALA H 2.000 . 6.000 5.309 5.167 5.432 . 0 0 "[ . 1]" 1
497 1 52 ARG QB 1 74 ALA H 2.000 . 5.500 3.055 2.984 3.124 . 0 0 "[ . 1]" 1
498 1 75 ASP H 1 75 ASP HA 2.000 . 2.700 2.891 2.887 2.895 0.195 6 0 "[ . 1]" 1
499 1 75 ASP H 1 75 ASP HB3 2.000 . 2.700 2.849 2.823 2.879 0.179 2 0 "[ . 1]" 1
500 1 75 ASP H 1 75 ASP HB2 2.000 . 2.700 2.810 2.778 2.834 0.134 1 0 "[ . 1]" 1
501 1 74 ALA HA 1 75 ASP H 2.000 . 2.700 3.115 3.106 3.122 0.422 7 0 "[ . 1]" 1
502 1 74 ALA MB 1 75 ASP H 2.000 . 3.300 3.320 3.305 3.340 0.040 1 0 "[ . 1]" 1
503 1 73 PHE HB3 1 75 ASP H 2.000 . 2.700 2.554 2.464 2.632 . 0 0 "[ . 1]" 1
504 1 73 PHE HB2 1 75 ASP H 2.000 . 4.000 3.949 3.802 4.033 0.033 6 0 "[ . 1]" 1
505 1 73 PHE QD 1 75 ASP H 2.000 . 5.500 3.793 3.597 4.195 . 0 0 "[ . 1]" 1
506 1 75 ASP H 1 77 ALA H 2.000 . 5.500 5.006 4.968 5.032 . 0 0 "[ . 1]" 1
507 1 77 ALA H 1 79 VAL H 2.000 . 4.000 3.981 3.943 4.032 0.032 5 0 "[ . 1]" 1
508 1 75 ASP HA 1 77 ALA H 2.000 . 4.000 3.596 3.562 3.629 . 0 0 "[ . 1]" 1
509 1 77 ALA H 1 77 ALA HA 2.000 . 2.700 2.857 2.851 2.861 0.161 3 0 "[ . 1]" 1
510 1 76 PRO QD 1 77 ALA H 2.000 . 2.700 2.368 2.344 2.408 . 0 0 "[ . 1]" 1
511 1 76 PRO HB2 1 77 ALA H 2.000 . 3.300 3.225 3.204 3.237 . 0 0 "[ . 1]" 1
512 1 76 PRO HB3 1 77 ALA H 2.000 . 4.000 4.266 4.261 4.270 0.270 7 0 "[ . 1]" 1
513 1 75 ASP HB3 1 77 ALA H 2.000 . 4.000 3.175 3.075 3.262 . 0 0 "[ . 1]" 1
514 1 75 ASP HB2 1 77 ALA H 2.000 . 4.000 4.313 4.288 4.332 0.332 8 0 "[ . 1]" 1
515 1 77 ALA H 1 78 SER QB 2.000 . 5.500 4.182 4.153 4.217 . 0 0 "[ . 1]" 1
516 1 77 ALA H 1 77 ALA MB 2.000 . 2.700 2.287 2.278 2.293 . 0 0 "[ . 1]" 1
517 1 76 PRO QG 1 77 ALA H 2.000 . 4.000 3.805 3.788 3.839 . 0 0 "[ . 1]" 1
518 1 75 ASP H 1 78 SER H 2.000 . 4.500 4.501 4.462 4.536 0.036 1 0 "[ . 1]" 1
519 1 77 ALA H 1 78 SER H 2.000 . 2.700 2.389 2.365 2.417 . 0 0 "[ . 1]" 1
520 1 78 SER H 1 79 VAL H 2.000 . 2.700 2.465 2.448 2.482 . 0 0 "[ . 1]" 1
521 1 78 SER H 1 80 ASP H 2.000 . 4.000 3.896 3.859 3.955 . 0 0 "[ . 1]" 1
522 1 77 ALA HA 1 78 SER H 2.000 . 3.300 3.428 3.421 3.436 0.136 2 0 "[ . 1]" 1
523 1 76 PRO HA 1 78 SER H 2.000 . 4.000 4.095 4.070 4.116 0.116 3 0 "[ . 1]" 1
524 1 78 SER H 1 79 VAL HA 2.000 . 5.500 5.121 5.107 5.136 . 0 0 "[ . 1]" 1
525 1 78 SER H 1 78 SER HB3 2.000 . 3.300 2.781 2.750 2.821 . 0 0 "[ . 1]" 1
526 1 78 SER H 1 78 SER HB2 2.000 . 2.700 2.407 2.367 2.447 . 0 0 "[ . 1]" 1
527 1 75 ASP QB 1 78 SER H 2.000 . 3.300 2.391 2.308 2.454 . 0 0 "[ . 1]" 1
528 1 78 SER H 1 81 LYS QD 2.000 . 5.500 5.257 5.058 5.366 . 0 0 "[ . 1]" 1
529 1 76 PRO QB 1 78 SER H 2.000 . 6.000 4.816 4.796 4.829 . 0 0 "[ . 1]" 1
530 1 78 SER H 1 79 VAL MG2 2.000 . 5.500 3.544 3.472 3.625 . 0 0 "[ . 1]" 1
531 1 77 ALA MB 1 78 SER H 2.000 . 3.300 2.790 2.751 2.830 . 0 0 "[ . 1]" 1
532 1 75 ASP HA 1 78 SER H 2.000 . 5.500 4.535 4.499 4.589 . 0 0 "[ . 1]" 1
533 1 75 ASP H 1 79 VAL H 2.000 . 5.500 5.344 5.180 5.465 . 0 0 "[ . 1]" 1
534 1 79 VAL H 1 80 ASP H 2.000 . 2.700 2.435 2.413 2.477 . 0 0 "[ . 1]" 1
535 1 78 SER HA 1 79 VAL H 2.000 . 3.300 3.440 3.429 3.445 0.145 8 0 "[ . 1]" 1
536 1 79 VAL H 1 79 VAL HA 2.000 . 2.700 2.826 2.821 2.831 0.131 5 0 "[ . 1]" 1
537 1 77 ALA HA 1 79 VAL H 2.000 . 5.500 4.102 4.062 4.140 . 0 0 "[ . 1]" 1
538 1 79 VAL H 1 80 ASP HA 2.000 . 5.500 5.094 5.077 5.130 . 0 0 "[ . 1]" 1
539 1 73 PHE QB 1 79 VAL H 2.000 . 4.000 3.867 3.692 3.977 . 0 0 "[ . 1]" 1
540 1 79 VAL H 1 80 ASP QB 2.000 . 5.500 4.083 4.049 4.111 . 0 0 "[ . 1]" 1
541 1 79 VAL H 1 81 LYS QG 2.000 . 5.500 5.066 5.001 5.164 . 0 0 "[ . 1]" 1
542 1 77 ALA MB 1 79 VAL H 2.000 . 5.500 4.507 4.478 4.528 . 0 0 "[ . 1]" 1
543 1 79 VAL H 1 79 VAL HB 2.000 . 2.700 2.705 2.684 2.726 0.026 6 0 "[ . 1]" 1
544 1 76 PRO HB3 1 79 VAL H 2.000 . 5.500 5.545 5.503 5.564 0.064 1 0 "[ . 1]" 1
545 1 76 PRO HB2 1 79 VAL H 2.000 . 5.500 5.408 5.371 5.427 . 0 0 "[ . 1]" 1
546 1 79 VAL H 1 79 VAL MG2 2.000 . 2.700 1.927 1.862 1.981 . 0 0 "[ . 1]" 1
547 1 79 VAL H 1 79 VAL MG1 2.000 . 4.000 3.786 3.774 3.800 . 0 0 "[ . 1]" 1
548 1 79 VAL H 1 82 VAL MG2 2.000 . 5.500 4.721 4.632 4.849 . 0 0 "[ . 1]" 1
549 1 80 ASP H 1 83 LEU H 2.000 . 5.500 4.551 4.509 4.582 . 0 0 "[ . 1]" 1
550 1 77 ALA H 1 80 ASP H 2.000 . 5.500 4.858 4.794 4.969 . 0 0 "[ . 1]" 1
551 1 80 ASP H 1 81 LYS H 2.000 . 2.700 2.433 2.407 2.463 . 0 0 "[ . 1]" 1
552 1 80 ASP H 1 80 ASP HA 2.000 . 2.700 2.820 2.815 2.825 0.125 7 0 "[ . 1]" 1
553 1 77 ALA HA 1 80 ASP H 2.000 . 3.300 3.345 3.314 3.362 0.062 8 0 "[ . 1]" 1
554 1 76 PRO HA 1 80 ASP H 2.000 . 5.500 4.794 4.661 4.987 . 0 0 "[ . 1]" 1
555 1 78 SER HA 1 80 ASP H 2.000 . 4.000 4.049 4.031 4.077 0.077 7 0 "[ . 1]" 1
556 1 79 VAL HA 1 80 ASP H 2.000 . 3.300 3.433 3.421 3.440 0.140 8 0 "[ . 1]" 1
557 1 78 SER QB 1 80 ASP H 2.000 . 5.500 4.641 4.612 4.666 . 0 0 "[ . 1]" 1
558 1 80 ASP H 1 80 ASP HB3 2.000 . 2.700 2.794 2.786 2.809 0.109 8 0 "[ . 1]" 1
559 1 80 ASP H 1 80 ASP HB2 2.000 . 3.300 2.190 2.163 2.203 . 0 0 "[ . 1]" 1
560 1 79 VAL HB 1 80 ASP H 2.000 . 2.700 2.782 2.769 2.796 0.096 1 0 "[ . 1]" 1
561 1 79 VAL MG1 1 80 ASP H 2.000 . 4.000 3.850 3.809 3.884 . 0 0 "[ . 1]" 1
562 1 79 VAL MG2 1 80 ASP H 2.000 . 4.000 3.631 3.584 3.678 . 0 0 "[ . 1]" 1
563 1 80 ASP H 1 82 VAL MG2 2.000 . 5.500 5.115 4.994 5.245 . 0 0 "[ . 1]" 1
564 1 77 ALA MB 1 80 ASP H 2.000 . 5.500 4.480 4.459 4.493 . 0 0 "[ . 1]" 1
565 1 78 SER H 1 81 LYS H 2.000 . 5.500 4.667 4.645 4.701 . 0 0 "[ . 1]" 1
566 1 81 LYS H 1 82 VAL H 2.000 . 2.700 2.663 2.633 2.700 . 0 0 "[ . 1]" 1
567 1 81 LYS H 1 83 LEU H 2.000 . 4.000 3.984 3.932 4.015 0.015 3 0 "[ . 1]" 1
568 1 81 LYS H 1 81 LYS HA 2.000 . 2.700 2.794 2.786 2.805 0.105 8 0 "[ . 1]" 1
569 1 78 SER HA 1 81 LYS H 2.000 . 3.300 3.230 3.176 3.280 . 0 0 "[ . 1]" 1
570 1 79 VAL HA 1 81 LYS H 2.000 . 5.500 4.357 4.279 4.401 . 0 0 "[ . 1]" 1
571 1 80 ASP HA 1 81 LYS H 2.000 . 3.300 3.452 3.443 3.458 0.158 1 0 "[ . 1]" 1
572 1 81 LYS H 1 81 LYS QE 2.000 . 5.500 4.724 4.559 5.042 . 0 0 "[ . 1]" 1
573 1 78 SER QB 1 81 LYS H 2.000 . 5.500 4.895 4.836 4.929 . 0 0 "[ . 1]" 1
574 1 80 ASP HB3 1 81 LYS H 2.000 . 3.300 2.506 2.480 2.590 . 0 0 "[ . 1]" 1
575 1 80 ASP HB2 1 81 LYS H 2.000 . 3.300 3.423 3.417 3.435 0.135 8 0 "[ . 1]" 1
576 1 81 LYS H 1 81 LYS QB 2.000 . 2.700 2.384 2.358 2.408 . 0 0 "[ . 1]" 1
577 1 79 VAL HB 1 81 LYS H 2.000 . 5.500 5.046 4.995 5.089 . 0 0 "[ . 1]" 1
578 1 81 LYS H 1 81 LYS HG3 2.000 . 2.700 2.503 2.417 2.576 . 0 0 "[ . 1]" 1
579 1 81 LYS H 1 81 LYS HG2 2.000 . 3.300 3.328 3.317 3.340 0.040 1 0 "[ . 1]" 1
580 1 81 LYS H 1 82 VAL MG2 2.000 . 5.500 4.200 4.112 4.266 . 0 0 "[ . 1]" 1
581 1 82 VAL H 1 83 LEU H 2.000 . 2.700 2.474 2.431 2.517 . 0 0 "[ . 1]" 1
582 1 80 ASP H 1 82 VAL H 2.000 . 4.000 3.979 3.931 4.017 0.017 8 0 "[ . 1]" 1
583 1 79 VAL HA 1 82 VAL H 2.000 . 3.300 3.450 3.430 3.468 0.168 6 0 "[ . 1]" 1
584 1 82 VAL H 1 82 VAL HA 2.000 . 2.700 2.864 2.857 2.874 0.174 9 0 "[ . 1]" 1
585 1 82 VAL H 1 82 VAL MG2 2.000 . 2.700 2.298 2.195 2.412 . 0 0 "[ . 1]" 1
586 1 81 LYS HA 1 82 VAL H 2.000 . 3.300 3.498 3.491 3.506 0.206 6 0 "[ . 1]" 1
587 1 78 SER HA 1 82 VAL H 2.000 . 4.000 4.036 3.998 4.066 0.066 5 0 "[ . 1]" 1
588 1 83 LEU H 1 83 LEU HB3 2.000 . 2.700 2.860 2.800 2.906 0.206 9 0 "[ . 1]" 1
589 1 83 LEU H 1 83 LEU HG 2.000 . 4.000 4.143 4.009 4.250 0.250 4 0 "[ . 1]" 1
590 1 83 LEU H 1 83 LEU HB2 2.000 . 2.700 1.986 1.875 2.071 . 0 0 "[ . 1]" 1
591 1 83 LEU H 1 83 LEU MD1 2.000 . 5.500 4.215 4.071 4.313 . 0 0 "[ . 1]" 1
592 1 83 LEU H 1 83 LEU MD2 2.000 . 5.500 3.750 3.242 4.284 . 0 0 "[ . 1]" 1
593 1 83 LEU H 1 84 GLY H 2.000 . 2.700 2.623 2.474 2.707 0.007 1 0 "[ . 1]" 1
594 1 84 GLY H 1 85 GLN H 2.000 . 2.700 2.527 2.468 2.592 . 0 0 "[ . 1]" 1
595 1 82 VAL H 1 84 GLY H 2.000 . 5.500 4.111 3.962 4.221 . 0 0 "[ . 1]" 1
596 1 81 LYS H 1 84 GLY H 2.000 . 6.000 4.944 4.775 5.026 . 0 0 "[ . 1]" 1
597 1 82 VAL MG1 1 84 GLY H 2.000 . 5.500 5.032 4.938 5.099 . 0 0 "[ . 1]" 1
598 1 82 VAL MG2 1 84 GLY H 2.000 . 6.000 5.419 5.293 5.510 . 0 0 "[ . 1]" 1
599 1 83 LEU HA 1 84 GLY H 2.000 . 5.500 3.530 3.497 3.548 . 0 0 "[ . 1]" 1
600 1 84 GLY H 1 84 GLY HA2 2.000 . 2.700 2.832 2.823 2.843 0.143 6 0 "[ . 1]" 1
601 1 83 LEU H 1 85 GLN H 2.000 . 4.000 4.023 3.972 4.068 0.068 5 0 "[ . 1]" 1
602 1 84 GLY HA3 1 85 GLN H 2.000 . 3.300 3.041 2.939 3.129 . 0 0 "[ . 1]" 1
603 1 84 GLY HA2 1 85 GLN H 2.000 . 3.300 3.424 3.395 3.463 0.163 8 0 "[ . 1]" 1
604 1 85 GLN H 1 86 PRO QD 2.000 . 4.000 3.880 3.668 3.958 . 0 0 "[ . 1]" 1
605 1 85 GLN H 1 86 PRO HA 2.000 . 5.500 5.072 4.933 5.145 . 0 0 "[ . 1]" 1
606 1 83 LEU HB3 1 85 GLN H 2.000 . 5.500 4.885 4.802 5.073 . 0 0 "[ . 1]" 1
607 1 83 LEU HB2 1 85 GLN H 2.000 . 5.500 5.341 5.274 5.492 . 0 0 "[ . 1]" 1
608 1 82 VAL MG1 1 85 GLN H 2.000 . 5.500 4.380 4.289 4.500 . 0 0 "[ . 1]" 1
609 1 85 GLN H 1 85 GLN HB3 2.000 . 3.300 3.517 3.504 3.534 0.234 2 0 "[ . 1]" 1
610 1 85 GLN H 1 85 GLN HB2 2.000 . 2.700 2.265 2.238 2.295 . 0 0 "[ . 1]" 1
611 1 85 GLN H 1 85 GLN QG 2.000 . 2.700 2.791 2.754 2.824 0.124 5 0 "[ . 1]" 1
612 1 85 GLN QB 1 85 GLN HE21 2.000 . 3.300 2.980 2.728 3.328 0.028 3 0 "[ . 1]" 1
613 1 85 GLN HE21 1 85 GLN QG 2.000 . 2.700 2.225 2.141 2.255 . 0 0 "[ . 1]" 1
614 1 87 HIS H 1 87 HIS HB3 2.000 . 2.700 2.755 2.732 2.774 0.074 6 0 "[ . 1]" 1
615 1 87 HIS H 1 87 HIS HB2 2.000 . 3.300 2.427 2.379 2.479 . 0 0 "[ . 1]" 1
616 1 86 PRO QB 1 87 HIS H 2.000 . 3.300 2.963 2.863 3.167 . 0 0 "[ . 1]" 1
617 1 88 HIS H 1 89 GLU H 2.000 . 4.000 4.121 4.096 4.146 0.146 5 0 "[ . 1]" 1
618 1 88 HIS H 1 95 ILE H 2.000 . 4.000 4.045 4.024 4.068 0.068 2 0 "[ . 1]" 1
619 1 88 HIS H 1 88 HIS HB2 2.000 . 2.700 2.776 2.758 2.791 0.091 2 0 "[ . 1]" 1
620 1 88 HIS H 1 88 HIS HB3 2.000 . 3.300 3.150 3.062 3.238 . 0 0 "[ . 1]" 1
621 1 87 HIS QB 1 88 HIS H 2.000 . 4.000 3.754 3.679 3.838 . 0 0 "[ . 1]" 1
622 1 88 HIS H 1 94 THR MG 2.000 . 5.500 2.740 2.515 2.963 . 0 0 "[ . 1]" 1
623 1 89 GLU H 1 89 GLU QG 2.000 . 4.000 4.024 4.013 4.034 0.034 7 0 "[ . 1]" 1
624 1 90 LEU H 1 91 ASP H 2.000 . 4.000 4.097 4.081 4.107 0.107 10 0 "[ . 1]" 1
625 1 89 GLU H 1 90 LEU H 2.000 . 4.000 4.272 4.262 4.280 0.280 1 0 "[ . 1]" 1
626 1 90 LEU H 1 95 ILE H 2.000 . 4.000 4.024 3.981 4.044 0.044 6 0 "[ . 1]" 1
627 1 90 LEU H 1 93 LYS H 2.000 . 3.300 2.971 2.906 2.997 . 0 0 "[ . 1]" 1
628 1 90 LEU H 1 94 THR H 2.000 . 5.500 4.787 4.651 4.839 . 0 0 "[ . 1]" 1
629 1 90 LEU H 1 93 LYS HA 2.000 . 5.500 4.604 4.572 4.630 . 0 0 "[ . 1]" 1
630 1 90 LEU H 1 91 ASP HA 2.000 . 5.500 5.617 5.602 5.631 0.131 6 0 "[ . 1]" 1
631 1 90 LEU H 1 91 ASP QB 2.000 . 5.500 4.675 4.641 4.742 . 0 0 "[ . 1]" 1
632 1 90 LEU H 1 90 LEU HG 2.000 . 4.000 4.198 4.180 4.209 0.209 4 0 "[ . 1]" 1
633 1 89 GLU QG 1 90 LEU H 2.000 . 3.300 2.676 2.606 2.723 . 0 0 "[ . 1]" 1
634 1 90 LEU H 1 90 LEU HB3 2.000 . 3.300 2.627 2.593 2.640 . 0 0 "[ . 1]" 1
635 1 90 LEU H 1 90 LEU HB2 2.000 . 3.300 3.366 3.358 3.377 0.077 3 0 "[ . 1]" 1
636 1 89 GLU QB 1 90 LEU H 2.000 . 4.000 3.488 3.473 3.501 . 0 0 "[ . 1]" 1
637 1 90 LEU H 1 95 ILE MD 2.000 . 5.500 4.446 4.221 4.617 . 0 0 "[ . 1]" 1
638 1 91 ASP H 1 91 ASP HA 2.000 . 2.700 2.265 2.260 2.273 . 0 0 "[ . 1]" 1
639 1 90 LEU HA 1 91 ASP H 2.000 . 2.700 2.117 2.091 2.132 . 0 0 "[ . 1]" 1
640 1 91 ASP H 1 91 ASP HB3 2.000 . 3.300 3.523 3.510 3.542 0.242 9 0 "[ . 1]" 1
641 1 91 ASP H 1 91 ASP HB2 2.000 . 3.300 2.820 2.784 2.828 . 0 0 "[ . 1]" 1
642 1 90 LEU MD1 1 91 ASP H 2.000 . 2.700 2.662 2.544 2.720 0.020 10 0 "[ . 1]" 1
643 1 90 LEU HB3 1 91 ASP H 2.000 . 4.000 4.154 4.127 4.201 0.201 9 0 "[ . 1]" 1
644 1 90 LEU HB2 1 91 ASP H 2.000 . 4.000 4.013 4.002 4.024 0.024 9 0 "[ . 1]" 1
645 1 90 LEU HG 1 91 ASP H 2.000 . 3.300 2.793 2.658 2.944 . 0 0 "[ . 1]" 1
646 1 90 LEU MD2 1 91 ASP H 2.000 . 5.500 4.348 4.258 4.456 . 0 0 "[ . 1]" 1
647 1 90 LEU H 1 92 SER H 2.000 . 4.000 3.907 3.818 3.944 . 0 0 "[ . 1]" 1
648 1 92 SER H 1 93 LYS H 2.000 . 2.700 2.651 2.587 2.671 . 0 0 "[ . 1]" 1
649 1 91 ASP H 1 92 SER H 2.000 . 2.700 2.671 2.654 2.713 0.013 9 0 "[ . 1]" 1
650 1 91 ASP HA 1 92 SER H 2.000 . 3.300 2.711 2.703 2.723 . 0 0 "[ . 1]" 1
651 1 92 SER H 1 92 SER HA 2.000 . 2.700 2.278 2.275 2.282 . 0 0 "[ . 1]" 1
652 1 92 SER H 1 92 SER QB 2.000 . 4.000 3.303 3.054 3.420 . 0 0 "[ . 1]" 1
653 1 90 LEU HA 1 92 SER H 2.000 . 4.000 3.564 3.539 3.602 . 0 0 "[ . 1]" 1
654 1 91 ASP HB3 1 92 SER H 2.000 . 4.000 4.029 4.023 4.032 0.032 7 0 "[ . 1]" 1
655 1 91 ASP HB2 1 92 SER H 2.000 . 4.000 4.354 4.347 4.361 0.361 8 0 "[ . 1]" 1
656 1 89 GLU QG 1 92 SER H 2.000 . 3.300 3.264 3.150 3.306 0.006 1 0 "[ . 1]" 1
657 1 89 GLU QB 1 92 SER H 2.000 . 5.500 4.575 4.432 4.671 . 0 0 "[ . 1]" 1
658 1 90 LEU QB 1 92 SER H 2.000 . 6.000 4.909 4.889 4.928 . 0 0 "[ . 1]" 1
659 1 93 LYS H 1 93 LYS QG 2.000 . 2.700 2.223 2.003 2.297 . 0 0 "[ . 1]" 1
660 1 93 LYS H 1 94 THR H 2.000 . 4.000 4.328 4.281 4.342 0.342 3 0 "[ . 1]" 1
661 1 91 ASP H 1 93 LYS H 2.000 . 4.000 4.088 4.050 4.104 0.104 3 0 "[ . 1]" 1
662 1 91 ASP QB 1 93 LYS H 2.000 . 3.300 3.381 3.365 3.397 0.097 9 0 "[ . 1]" 1
663 1 92 SER HA 1 93 LYS H 2.000 . 3.300 3.166 3.123 3.186 . 0 0 "[ . 1]" 1
664 1 93 LYS H 1 93 LYS HB3 2.000 . 4.000 3.521 3.475 3.754 . 0 0 "[ . 1]" 1
665 1 93 LYS H 1 93 LYS HB2 2.000 . 4.000 3.649 3.306 3.712 . 0 0 "[ . 1]" 1
666 1 93 LYS H 1 93 LYS QB 2.000 . 3.300 3.182 3.101 3.206 . 0 0 "[ . 1]" 1
667 1 94 THR H 1 95 ILE H 2.000 . 4.500 4.509 4.488 4.523 0.023 8 0 "[ . 1]" 1
668 1 94 THR H 1 94 THR HB 2.000 . 2.700 2.743 2.731 2.761 0.061 3 0 "[ . 1]" 1
669 1 94 THR H 1 95 ILE HA 2.000 . 5.500 5.354 5.314 5.390 . 0 0 "[ . 1]" 1
670 1 93 LYS HB2 1 94 THR H 2.000 . 3.300 2.646 2.531 3.348 0.048 9 0 "[ . 1]" 1
671 1 93 LYS HB3 1 94 THR H 2.000 . 3.300 3.395 3.306 3.417 0.117 1 0 "[ . 1]" 1
672 1 93 LYS HG3 1 94 THR H 2.000 . 5.500 4.504 4.347 5.376 . 0 0 "[ . 1]" 1
673 1 93 LYS HG2 1 94 THR H 2.000 . 5.500 4.941 4.891 5.000 . 0 0 "[ . 1]" 1
674 1 94 THR H 1 94 THR MG 2.000 . 4.000 3.781 3.768 3.788 . 0 0 "[ . 1]" 1
675 1 95 ILE H 1 95 ILE MG 2.000 . 2.700 2.731 2.720 2.748 0.048 2 0 "[ . 1]" 1
676 1 95 ILE H 1 95 ILE HB 2.000 . 4.000 3.774 3.754 3.795 . 0 0 "[ . 1]" 1
677 1 95 ILE H 1 95 ILE HG13 2.000 . 3.300 2.961 2.795 3.076 . 0 0 "[ . 1]" 1
678 1 95 ILE H 1 95 ILE HG12 2.000 . 3.300 2.359 2.261 2.467 . 0 0 "[ . 1]" 1
679 1 95 ILE H 1 95 ILE MD 2.000 . 5.500 3.948 3.893 3.999 . 0 0 "[ . 1]" 1
680 1 94 THR MG 1 95 ILE H 2.000 . 4.000 2.810 2.732 2.889 . 0 0 "[ . 1]" 1
681 1 95 ILE H 1 96 ASP H 2.000 . 4.500 4.569 4.561 4.581 0.081 9 0 "[ . 1]" 1
682 1 31 GLY H 1 96 ASP H 2.000 . 5.500 4.274 4.188 4.440 . 0 0 "[ . 1]" 1
683 1 30 GLY HA3 1 96 ASP H 2.000 . 4.000 3.351 3.324 3.384 . 0 0 "[ . 1]" 1
684 1 30 GLY HA2 1 96 ASP H 2.000 . 4.000 4.241 4.224 4.275 0.275 9 0 "[ . 1]" 1
685 1 96 ASP H 1 97 PRO QD 2.000 . 4.000 3.557 3.392 3.748 . 0 0 "[ . 1]" 1
686 1 96 ASP H 1 96 ASP HB3 2.000 . 2.700 2.771 2.747 2.796 0.096 9 0 "[ . 1]" 1
687 1 96 ASP H 1 96 ASP HB2 2.000 . 2.700 2.737 2.721 2.764 0.064 2 0 "[ . 1]" 1
688 1 95 ILE HB 1 96 ASP H 2.000 . 2.700 2.372 2.283 2.447 . 0 0 "[ . 1]" 1
689 1 95 ILE MG 1 96 ASP H 2.000 . 4.000 3.724 3.681 3.781 . 0 0 "[ . 1]" 1
690 1 95 ILE MD 1 96 ASP H 2.000 . 5.500 4.046 3.841 4.205 . 0 0 "[ . 1]" 1
691 1 95 ILE QG 1 96 ASP H 2.000 . 4.000 3.501 3.416 3.574 . 0 0 "[ . 1]" 1
692 1 97 PRO HA 1 98 LYS H 2.000 . 2.700 2.172 2.158 2.188 . 0 0 "[ . 1]" 1
693 1 29 ILE HA 1 98 LYS H 2.000 . 3.300 3.367 3.336 3.388 0.088 2 0 "[ . 1]" 1
694 1 98 LYS H 1 99 VAL HA 2.000 . 5.500 4.864 4.812 4.932 . 0 0 "[ . 1]" 1
695 1 29 ILE MD 1 98 LYS H 2.000 . 5.500 3.371 3.236 3.539 . 0 0 "[ . 1]" 1
696 1 29 ILE QG 1 98 LYS H 2.000 . 5.500 5.077 4.996 5.208 . 0 0 "[ . 1]" 1
697 1 29 ILE MG 1 98 LYS H 2.000 . 5.500 4.544 4.435 4.658 . 0 0 "[ . 1]" 1
698 1 98 LYS H 1 98 LYS QB 2.000 . 3.300 3.187 2.813 3.325 0.025 3 0 "[ . 1]" 1
699 1 98 LYS H 1 98 LYS QG 2.000 . 2.700 2.419 2.211 2.805 0.105 1 0 "[ . 1]" 1
700 1 98 LYS H 1 98 LYS QE 2.000 . 5.500 4.523 3.971 5.290 . 0 0 "[ . 1]" 1
701 1 98 LYS H 1 98 LYS QD 2.000 . 4.000 3.819 3.379 4.035 0.035 1 0 "[ . 1]" 1
702 1 99 VAL H 1 100 ALA H 2.000 . 5.500 4.566 4.442 4.607 . 0 0 "[ . 1]" 1
703 1 98 LYS H 1 99 VAL H 2.000 . 5.500 4.406 4.342 4.457 . 0 0 "[ . 1]" 1
704 1 99 VAL H 1 99 VAL HB 2.000 . 2.700 2.720 2.645 2.783 0.083 2 0 "[ . 1]" 1
705 1 99 VAL H 1 99 VAL MG2 2.000 . 2.700 1.982 1.798 2.268 . 0 0 "[ . 1]" 1
706 1 99 VAL H 1 99 VAL MG1 2.000 . 5.500 3.816 3.788 3.867 . 0 0 "[ . 1]" 1
707 1 27 MET H 1 100 ALA H 2.000 . 5.500 5.174 4.474 5.416 . 0 0 "[ . 1]" 1
708 1 100 ALA H 1 100 ALA HA 2.000 . 2.700 2.716 2.263 2.895 0.195 6 0 "[ . 1]" 1
709 1 99 VAL HA 1 100 ALA H 2.000 . 2.700 2.198 2.143 2.254 . 0 0 "[ . 1]" 1
710 1 27 MET QG 1 100 ALA H 2.000 . 4.000 4.001 3.852 4.048 0.048 3 0 "[ . 1]" 1
711 1 27 MET QB 1 100 ALA H 2.000 . 5.500 5.093 4.663 5.309 . 0 0 "[ . 1]" 1
712 1 99 VAL HB 1 100 ALA H 2.000 . 4.000 3.853 3.753 4.013 0.013 7 0 "[ . 1]" 1
713 1 100 ALA H 1 100 ALA MB 2.000 . 2.700 2.349 2.207 2.779 0.079 2 0 "[ . 1]" 1
714 1 99 VAL MG1 1 100 ALA H 2.000 . 2.700 2.436 2.216 2.723 0.023 2 0 "[ . 1]" 1
715 1 100 ALA H 1 101 PHE QD 2.000 . 5.500 5.452 5.185 5.548 0.048 8 0 "[ . 1]" 1
716 1 101 PHE H 1 101 PHE QD 2.000 . 3.300 3.230 2.765 3.371 0.071 4 0 "[ . 1]" 1
717 1 100 ALA HA 1 101 PHE H 2.000 . 2.700 2.324 2.198 2.460 . 0 0 "[ . 1]" 1
718 1 100 ALA MB 1 101 PHE H 2.000 . 2.700 2.523 2.288 2.737 0.037 1 0 "[ . 1]" 1
719 1 101 PHE H 1 101 PHE HB3 2.000 . 3.300 3.411 3.319 3.471 0.171 8 0 "[ . 1]" 1
720 1 101 PHE H 1 101 PHE HB2 2.000 . 3.300 2.250 2.189 2.343 . 0 0 "[ . 1]" 1
721 1 101 PHE H 1 102 PRO QG 2.000 . 5.500 5.533 5.321 5.661 0.161 8 0 "[ . 1]" 1
722 1 102 PRO HA 1 103 ARG H 2.000 . 2.700 2.324 2.156 2.583 . 0 0 "[ . 1]" 1
723 1 102 PRO QB 1 103 ARG H 2.000 . 3.300 2.823 2.386 3.182 . 0 0 "[ . 1]" 1
724 1 103 ARG H 1 103 ARG QB 2.000 . 2.700 2.376 2.119 2.704 0.004 7 0 "[ . 1]" 1
725 1 105 ALA H 1 105 ALA HA 2.000 . 2.700 2.869 2.848 2.905 0.205 8 0 "[ . 1]" 1
726 1 104 ARG HA 1 105 ALA H 2.000 . 2.700 2.236 2.141 2.473 . 0 0 "[ . 1]" 1
727 1 105 ALA H 1 105 ALA MB 2.000 . 2.700 2.263 2.099 2.742 0.042 6 0 "[ . 1]" 1
728 1 104 ARG QB 1 105 ALA H 2.000 . 4.000 3.295 2.879 3.772 . 0 0 "[ . 1]" 1
729 1 104 ARG QD 1 105 ALA H 2.000 . 4.000 3.764 2.962 4.007 0.007 5 0 "[ . 1]" 1
730 1 105 ALA HA 1 106 GLN H 2.000 . 2.700 2.521 2.433 2.677 . 0 0 "[ . 1]" 1
731 1 105 ALA MB 1 106 GLN H 2.000 . 2.700 2.379 2.230 2.424 . 0 0 "[ . 1]" 1
732 1 106 GLN H 1 106 GLN QB 2.000 . 2.700 2.595 2.365 3.306 0.606 10 2 "[ .- +]" 1
733 1 106 GLN HE21 1 106 GLN QG 2.000 . 2.700 2.221 2.214 2.229 . 0 0 "[ . 1]" 1
734 1 106 GLN QB 1 106 GLN HE22 2.000 . 4.000 3.606 3.595 3.619 . 0 0 "[ . 1]" 1
735 1 107 PRO HA 1 108 LYS H 2.000 . 2.700 2.513 2.456 2.622 . 0 0 "[ . 1]" 1
736 1 107 PRO QG 1 108 LYS H 2.000 . 4.000 3.981 3.817 4.030 0.030 7 0 "[ . 1]" 1
737 1 108 LYS H 1 108 LYS QB 2.000 . 2.700 2.321 2.288 2.365 . 0 0 "[ . 1]" 1
738 1 108 LYS H 1 108 LYS QG 2.000 . 2.700 2.677 2.559 2.709 0.009 7 0 "[ . 1]" 1
739 1 108 LYS H 1 108 LYS QD 2.000 . 4.000 3.891 3.732 3.987 . 0 0 "[ . 1]" 1
740 1 107 PRO QB 1 108 LYS H 2.000 . 3.300 2.331 2.154 2.405 . 0 0 "[ . 1]" 1
741 1 109 MET H 1 109 MET QG 2.000 . 2.700 2.606 1.960 2.761 0.061 1 0 "[ . 1]" 1
742 1 109 MET HA 1 110 VAL H 2.000 . 3.300 2.447 2.119 3.371 0.071 8 0 "[ . 1]" 1
743 1 109 MET QG 1 110 VAL H 2.000 . 5.500 4.114 2.833 4.525 . 0 0 "[ . 1]" 1
744 1 109 MET QB 1 110 VAL H 2.000 . 4.000 3.018 2.462 3.739 . 0 0 "[ . 1]" 1
745 1 110 VAL H 1 110 VAL HB 2.000 . 2.700 2.732 2.669 2.782 0.082 8 0 "[ . 1]" 1
746 1 110 VAL H 1 110 VAL MG2 2.000 . 2.700 2.322 2.026 2.663 . 0 0 "[ . 1]" 1
747 1 111 THR H 1 111 THR HB 2.000 . 2.700 2.750 2.736 2.797 0.097 7 0 "[ . 1]" 1
748 1 111 THR H 1 111 THR HA 2.000 . 2.700 2.877 2.827 2.895 0.195 8 0 "[ . 1]" 1
749 1 110 VAL MG1 1 111 THR H 2.000 . 3.300 2.578 1.789 3.335 0.035 9 0 "[ . 1]" 1
750 1 110 VAL HB 1 111 THR H 2.000 . 3.300 2.821 2.258 3.360 0.060 8 0 "[ . 1]" 1
751 1 112 ARG H 1 112 ARG QB 2.000 . 3.300 2.361 2.219 3.067 . 0 0 "[ . 1]" 1
752 1 111 THR MG 1 112 ARG H 2.000 . 5.500 3.423 1.976 4.297 . 0 0 "[ . 1]" 1
753 1 111 THR H 1 112 ARG H 2.000 . 4.000 3.539 2.226 4.130 0.130 1 0 "[ . 1]" 1
754 1 113 THR H 1 113 THR MG 2.000 . 5.500 2.748 2.044 3.319 . 0 0 "[ . 1]" 1
755 1 114 LYS H 1 114 LYS QB 2.000 . 3.300 2.390 2.118 3.201 . 0 0 "[ . 1]" 1
756 1 114 LYS H 1 114 LYS HA 2.000 . 2.700 2.875 2.847 2.902 0.202 3 0 "[ . 1]" 1
757 1 115 LYS H 1 115 LYS QB 2.000 . 3.300 2.358 2.135 3.239 . 0 0 "[ . 1]" 1
758 1 115 LYS H 1 115 LYS HA 2.000 . 2.700 2.869 2.843 2.907 0.207 4 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 350
_Distance_constraint_stats_list.Viol_count 473
_Distance_constraint_stats_list.Viol_total 611.588
_Distance_constraint_stats_list.Viol_max 0.375
_Distance_constraint_stats_list.Viol_rms 0.0574
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0175
_Distance_constraint_stats_list.Viol_average_violations_only 0.1293
_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 16 GLU 0.115 0.059 3 0 "[ . 1]"
1 17 ASN 0.000 0.000 . 0 "[ . 1]"
1 19 TYR 0.000 0.000 . 0 "[ . 1]"
1 20 PHE 0.004 0.004 3 0 "[ . 1]"
1 21 GLN 0.004 0.004 3 0 "[ . 1]"
1 23 ASN 0.000 0.000 . 0 "[ . 1]"
1 24 ALA 0.000 0.000 . 0 "[ . 1]"
1 25 GLY 0.151 0.061 5 0 "[ . 1]"
1 26 LYS 0.330 0.074 7 0 "[ . 1]"
1 27 MET 1.031 0.131 8 0 "[ . 1]"
1 28 PHE 0.748 0.076 6 0 "[ . 1]"
1 29 ILE 2.210 0.229 10 0 "[ . 1]"
1 30 GLY 0.000 0.000 . 0 "[ . 1]"
1 31 GLY 0.000 0.000 . 0 "[ . 1]"
1 32 LEU 2.822 0.233 3 0 "[ . 1]"
1 33 SER 0.000 0.000 . 0 "[ . 1]"
1 34 TRP 2.747 0.317 2 0 "[ . 1]"
1 35 GLN 2.455 0.317 2 0 "[ . 1]"
1 36 THR 2.379 0.245 3 0 "[ . 1]"
1 37 SER 0.000 0.000 . 0 "[ . 1]"
1 38 PRO 0.559 0.081 4 0 "[ . 1]"
1 39 ASP 1.875 0.202 2 0 "[ . 1]"
1 40 SER 0.000 0.000 . 0 "[ . 1]"
1 41 LEU 0.829 0.263 10 0 "[ . 1]"
1 42 ARG 0.000 0.000 . 0 "[ . 1]"
1 43 ASP 0.000 0.000 . 0 "[ . 1]"
1 44 TYR 0.619 0.080 8 0 "[ . 1]"
1 45 PHE 2.791 0.233 10 0 "[ . 1]"
1 46 SER 1.326 0.142 3 0 "[ . 1]"
1 47 LYS 0.000 0.000 . 0 "[ . 1]"
1 48 PHE 2.435 0.211 3 0 "[ . 1]"
1 49 GLY 0.065 0.024 1 0 "[ . 1]"
1 50 GLU 0.000 0.000 . 0 "[ . 1]"
1 51 ILE 4.723 0.268 2 0 "[ . 1]"
1 52 ARG 0.000 0.000 . 0 "[ . 1]"
1 53 GLU 0.000 0.000 . 0 "[ . 1]"
1 54 CYS 2.177 0.165 3 0 "[ . 1]"
1 55 MET 2.730 0.270 4 0 "[ . 1]"
1 56 VAL 3.389 0.274 9 0 "[ . 1]"
1 57 MET 0.000 0.000 . 0 "[ . 1]"
1 58 ARG 0.062 0.062 7 0 "[ . 1]"
1 59 ASP 2.077 0.226 6 0 "[ . 1]"
1 60 PRO 0.000 0.000 . 0 "[ . 1]"
1 61 THR 0.000 0.000 . 0 "[ . 1]"
1 62 THR 0.000 0.000 . 0 "[ . 1]"
1 63 LYS 0.000 0.000 . 0 "[ . 1]"
1 64 ARG 0.000 0.000 . 0 "[ . 1]"
1 65 SER 0.000 0.000 . 0 "[ . 1]"
1 66 ARG 0.000 0.000 . 0 "[ . 1]"
1 68 PHE 3.605 0.375 4 0 "[ . 1]"
1 69 GLY 0.361 0.030 3 0 "[ . 1]"
1 70 PHE 5.287 0.273 7 0 "[ . 1]"
1 71 VAL 4.867 0.283 9 0 "[ . 1]"
1 72 THR 5.053 0.283 9 0 "[ . 1]"
1 73 PHE 0.113 0.028 10 0 "[ . 1]"
1 74 ALA 0.000 0.000 . 0 "[ . 1]"
1 75 ASP 0.000 0.000 . 0 "[ . 1]"
1 76 PRO 1.731 0.181 5 0 "[ . 1]"
1 77 ALA 0.000 0.000 . 0 "[ . 1]"
1 78 SER 0.000 0.000 . 0 "[ . 1]"
1 79 VAL 0.651 0.116 9 0 "[ . 1]"
1 80 ASP 0.000 0.000 . 0 "[ . 1]"
1 81 LYS 0.000 0.000 . 0 "[ . 1]"
1 82 VAL 0.906 0.128 9 0 "[ . 1]"
1 83 LEU 0.730 0.131 8 0 "[ . 1]"
1 85 GLN 0.895 0.128 9 0 "[ . 1]"
1 86 PRO 0.000 0.000 . 0 "[ . 1]"
1 87 HIS 0.000 0.000 . 0 "[ . 1]"
1 88 HIS 0.354 0.066 6 0 "[ . 1]"
1 89 GLU 1.693 0.173 6 0 "[ . 1]"
1 90 LEU 0.033 0.012 10 0 "[ . 1]"
1 91 ASP 0.000 0.000 . 0 "[ . 1]"
1 92 SER 0.000 0.000 . 0 "[ . 1]"
1 93 LYS 0.000 0.000 . 0 "[ . 1]"
1 94 THR 0.000 0.000 . 0 "[ . 1]"
1 95 ILE 4.879 0.284 7 0 "[ . 1]"
1 96 ASP 0.000 0.000 . 0 "[ . 1]"
1 97 PRO 0.000 0.000 . 0 "[ . 1]"
1 98 LYS 0.000 0.000 . 0 "[ . 1]"
1 99 VAL 3.163 0.277 1 0 "[ . 1]"
1 100 ALA 0.000 0.000 . 0 "[ . 1]"
1 101 PHE 0.000 0.000 . 0 "[ . 1]"
1 102 PRO 0.000 0.000 . 0 "[ . 1]"
1 103 ARG 0.000 0.000 . 0 "[ . 1]"
1 105 ALA 0.000 0.000 . 0 "[ . 1]"
1 106 GLN 0.000 0.000 . 0 "[ . 1]"
1 107 PRO 0.000 0.000 . 0 "[ . 1]"
1 109 MET 0.000 0.000 . 0 "[ . 1]"
1 111 THR 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 34 TRP CD1 1 35 GLN HG3 2.000 . 3.500 2.633 2.605 2.669 . 0 0 "[ . 1]" 2
2 1 34 TRP CD1 1 35 GLN HG2 2.000 . 3.500 3.746 3.689 3.817 0.317 2 0 "[ . 1]" 2
3 1 71 VAL MG1 1 73 PHE CD2 2.500 2.500 4.000 2.673 2.536 2.814 . 0 0 "[ . 1]" 2
4 1 48 PHE CD2 1 82 VAL MG2 2.500 2.500 4.000 2.693 2.490 2.949 0.010 5 0 "[ . 1]" 2
5 1 48 PHE CD2 1 82 VAL HA 2.500 2.500 4.000 3.489 3.051 3.685 . 0 0 "[ . 1]" 2
6 1 57 MET HB3 1 68 PHE CD2 2.500 2.500 4.000 3.718 3.529 3.792 . 0 0 "[ . 1]" 2
7 1 57 MET HB2 1 68 PHE CD2 2.500 2.500 4.000 3.016 2.763 3.221 . 0 0 "[ . 1]" 2
8 1 16 GLU QB 1 16 GLU QG 2.000 . 2.700 2.075 2.011 2.085 . 0 0 "[ . 1]" 2
9 1 16 GLU HA 1 16 GLU QG 2.000 . 3.300 2.701 2.355 3.359 0.059 3 0 "[ . 1]" 2
10 1 17 ASN HA 1 17 ASN QB 2.000 . 2.700 2.455 2.447 2.462 . 0 0 "[ . 1]" 2
11 1 19 TYR QB 1 19 TYR QD 2.000 . 2.700 2.137 2.133 2.140 . 0 0 "[ . 1]" 2
12 1 19 TYR QB 1 19 TYR QE 2.000 . 4.000 3.937 3.935 3.940 . 0 0 "[ . 1]" 2
13 1 20 PHE HA 1 20 PHE QB 2.000 . 2.700 2.492 2.454 2.540 . 0 0 "[ . 1]" 2
14 1 20 PHE QB 1 21 GLN HA 2.000 . 4.500 4.092 3.885 4.504 0.004 3 0 "[ . 1]" 2
15 1 24 ALA HA 1 25 GLY H 2.000 . 2.700 2.238 2.095 2.302 . 0 0 "[ . 1]" 2
16 1 24 ALA HA 1 25 GLY QA 2.000 . 5.500 3.975 3.894 4.010 . 0 0 "[ . 1]" 2
17 1 23 ASN H 1 24 ALA HA 2.000 . 5.500 4.672 4.490 4.869 . 0 0 "[ . 1]" 2
18 1 24 ALA HA 1 24 ALA MB 2.000 . 2.700 2.126 2.121 2.130 . 0 0 "[ . 1]" 2
19 1 25 GLY QA 1 79 VAL MG2 2.000 . 3.300 3.288 3.178 3.361 0.061 5 0 "[ . 1]" 2
20 1 26 LYS HA 1 26 LYS QE 2.000 . 5.500 4.872 4.418 5.549 0.049 8 0 "[ . 1]" 2
21 1 26 LYS HA 1 26 LYS QG 2.000 . 3.300 2.694 2.212 3.374 0.074 7 0 "[ . 1]" 2
22 1 26 LYS HA 1 26 LYS QD 2.000 . 5.500 4.018 3.883 4.198 . 0 0 "[ . 1]" 2
23 1 26 LYS HA 1 26 LYS QB 2.000 . 2.700 2.357 2.170 2.492 . 0 0 "[ . 1]" 2
24 1 26 LYS HA 1 72 THR HA 2.000 . 2.700 2.407 2.294 2.636 . 0 0 "[ . 1]" 2
25 1 26 LYS QB 1 26 LYS QG 2.000 . 2.700 2.055 2.048 2.060 . 0 0 "[ . 1]" 2
26 1 26 LYS QD 1 26 LYS QG 2.000 . 2.700 2.090 2.085 2.095 . 0 0 "[ . 1]" 2
27 1 26 LYS QD 1 26 LYS QE 2.000 . 2.700 2.078 2.022 2.093 . 0 0 "[ . 1]" 2
28 1 27 MET HA 1 99 VAL HA 2.000 . 2.700 2.288 2.119 2.441 . 0 0 "[ . 1]" 2
29 1 27 MET HA 1 28 PHE H 2.000 . 2.700 2.127 2.040 2.205 . 0 0 "[ . 1]" 2
30 1 27 MET HA 1 27 MET QG 2.000 . 3.300 2.174 2.119 2.205 . 0 0 "[ . 1]" 2
31 1 27 MET HA 1 99 VAL MG2 2.000 . 4.000 3.855 3.679 4.020 0.020 6 0 "[ . 1]" 2
32 1 27 MET HA 1 99 VAL MG1 2.000 . 4.000 3.424 3.180 3.620 . 0 0 "[ . 1]" 2
33 1 27 MET QB 1 27 MET ME 2.000 . 2.700 2.711 2.572 2.759 0.059 2 0 "[ . 1]" 2
34 1 27 MET ME 1 29 ILE MD 2.000 . 5.500 3.621 2.987 4.565 . 0 0 "[ . 1]" 2
35 1 27 MET ME 1 82 VAL MG1 2.000 . 3.300 2.214 1.982 2.598 . 0 0 "[ . 1]" 2
36 1 27 MET ME 1 83 LEU MD2 2.000 . 3.300 3.373 3.325 3.431 0.131 8 0 "[ . 1]" 2
37 1 28 PHE HA 1 28 PHE QB 2.000 . 3.300 2.396 2.332 2.444 . 0 0 "[ . 1]" 2
38 1 28 PHE HA 1 70 PHE QD 2.000 . 2.700 2.765 2.740 2.776 0.076 6 0 "[ . 1]" 2
39 1 28 PHE QD 1 70 PHE HA 2.000 . 4.000 3.754 3.458 4.064 0.064 7 0 "[ . 1]" 2
40 1 28 PHE QB 1 28 PHE QD 2.000 . 2.700 2.257 2.222 2.296 . 0 0 "[ . 1]" 2
41 1 29 ILE MD 1 97 PRO HA 2.000 . 3.300 2.817 2.678 2.965 . 0 0 "[ . 1]" 2
42 1 29 ILE MD 1 29 ILE QG 2.000 . 2.700 1.889 1.886 1.892 . 0 0 "[ . 1]" 2
43 1 29 ILE MD 1 29 ILE MG 2.000 . 2.700 2.187 2.147 2.233 . 0 0 "[ . 1]" 2
44 1 29 ILE HA 1 29 ILE MD 2.000 . 2.700 2.548 2.492 2.579 . 0 0 "[ . 1]" 2
45 1 29 ILE HA 1 29 ILE MG 2.000 . 2.700 2.182 2.141 2.206 . 0 0 "[ . 1]" 2
46 1 29 ILE HB 1 29 ILE MG 2.000 . 2.700 2.116 2.109 2.124 . 0 0 "[ . 1]" 2
47 1 29 ILE HB 1 41 LEU MD1 2.000 . 4.000 3.158 3.021 3.427 . 0 0 "[ . 1]" 2
48 1 29 ILE HB 1 29 ILE QG 2.000 . 2.700 2.176 2.174 2.179 . 0 0 "[ . 1]" 2
49 1 29 ILE HA 1 97 PRO HA 2.000 . 2.700 2.082 1.950 2.302 . 0 0 "[ . 1]" 2
50 1 29 ILE HA 1 30 GLY H 2.000 . 2.700 2.103 2.082 2.120 . 0 0 "[ . 1]" 2
51 1 29 ILE HA 1 29 ILE HB 2.000 . 2.700 2.921 2.908 2.929 0.229 10 0 "[ . 1]" 2
52 1 28 PHE QE 1 30 GLY HA2 2.000 . 5.500 4.108 3.833 4.294 . 0 0 "[ . 1]" 2
53 1 30 GLY HA2 1 68 PHE QB 2.000 . 3.300 2.616 2.452 2.751 . 0 0 "[ . 1]" 2
54 1 30 GLY HA3 1 68 PHE QB 2.000 . 4.000 3.710 3.523 3.872 . 0 0 "[ . 1]" 2
55 1 28 PHE QE 1 30 GLY HA3 2.000 . 5.500 4.734 4.533 4.891 . 0 0 "[ . 1]" 2
56 1 31 GLY QA 1 32 LEU H 2.000 . 3.300 2.893 2.867 2.906 . 0 0 "[ . 1]" 2
57 1 32 LEU HA 1 33 SER HA 2.000 . 4.500 4.392 4.381 4.405 . 0 0 "[ . 1]" 2
58 1 32 LEU HA 1 32 LEU QB 2.000 . 3.300 2.348 2.342 2.356 . 0 0 "[ . 1]" 2
59 1 32 LEU HA 1 95 ILE MG 2.000 . 3.300 2.352 2.249 2.438 . 0 0 "[ . 1]" 2
60 1 32 LEU HA 1 32 LEU MD2 2.000 . 2.700 2.293 2.252 2.361 . 0 0 "[ . 1]" 2
61 1 32 LEU H 1 32 LEU HA 2.000 . 2.700 2.770 2.761 2.779 0.079 9 0 "[ . 1]" 2
62 1 32 LEU QB 1 32 LEU HG 2.000 . 2.700 2.436 2.420 2.447 . 0 0 "[ . 1]" 2
63 1 34 TRP HA 1 34 TRP HD1 2.000 . 4.000 4.029 4.011 4.043 0.043 3 0 "[ . 1]" 2
64 1 34 TRP HA 1 34 TRP QB 2.000 . 2.700 2.186 2.183 2.187 . 0 0 "[ . 1]" 2
65 1 35 GLN HA 1 35 GLN QB 2.000 . 2.700 2.406 2.403 2.411 . 0 0 "[ . 1]" 2
66 1 35 GLN QB 1 35 GLN QG 2.000 . 2.700 2.085 2.084 2.086 . 0 0 "[ . 1]" 2
67 1 36 THR HA 1 37 SER H 2.000 . 2.700 2.096 2.079 2.115 . 0 0 "[ . 1]" 2
68 1 36 THR HA 1 36 THR MG 2.000 . 2.700 2.210 2.191 2.229 . 0 0 "[ . 1]" 2
69 1 36 THR HA 1 36 THR HB 2.000 . 2.700 2.938 2.933 2.945 0.245 3 0 "[ . 1]" 2
70 1 37 SER HA 1 38 PRO QD 2.000 . 2.700 2.311 2.287 2.328 . 0 0 "[ . 1]" 2
71 1 38 PRO HA 1 56 VAL MG2 2.000 . 3.300 2.083 2.037 2.100 . 0 0 "[ . 1]" 2
72 1 38 PRO HA 1 56 VAL MG1 2.000 . 5.500 4.465 4.333 4.519 . 0 0 "[ . 1]" 2
73 1 38 PRO HA 1 56 VAL HB 2.000 . 4.000 4.056 4.026 4.081 0.081 4 0 "[ . 1]" 2
74 1 38 PRO HA 1 38 PRO QD 2.000 . 4.000 3.201 3.177 3.211 . 0 0 "[ . 1]" 2
75 1 38 PRO HA 1 39 ASP QB 2.000 . 5.500 5.214 5.191 5.222 . 0 0 "[ . 1]" 2
76 1 38 PRO QB 1 38 PRO QG 2.000 . 2.700 1.971 1.969 1.975 . 0 0 "[ . 1]" 2
77 1 38 PRO QD 1 38 PRO QG 2.000 . 2.700 1.975 1.974 1.978 . 0 0 "[ . 1]" 2
78 1 39 ASP HA 1 39 ASP HB2 2.000 . 2.700 2.887 2.865 2.902 0.202 2 0 "[ . 1]" 2
79 1 40 SER HA 1 43 ASP QB 2.000 . 3.300 2.387 2.311 2.677 . 0 0 "[ . 1]" 2
80 1 40 SER HA 1 40 SER QB 2.000 . 2.700 2.403 2.395 2.409 . 0 0 "[ . 1]" 2
81 1 41 LEU HA 1 41 LEU HG 2.000 . 3.300 2.617 2.488 3.563 0.263 10 0 "[ . 1]" 2
82 1 41 LEU MD1 1 41 LEU HG 2.000 . 2.700 2.117 2.079 2.136 . 0 0 "[ . 1]" 2
83 1 42 ARG HA 1 42 ARG QB 2.000 . 3.300 2.490 2.468 2.504 . 0 0 "[ . 1]" 2
84 1 42 ARG HA 1 42 ARG QG 2.000 . 3.300 2.292 2.184 2.367 . 0 0 "[ . 1]" 2
85 1 42 ARG QB 1 42 ARG QG 2.000 . 2.700 2.084 2.063 2.089 . 0 0 "[ . 1]" 2
86 1 43 ASP HA 1 43 ASP QB 2.000 . 3.300 2.512 2.496 2.534 . 0 0 "[ . 1]" 2
87 1 44 TYR HA 1 44 TYR QD 2.000 . 2.700 2.756 2.747 2.780 0.080 8 0 "[ . 1]" 2
88 1 44 TYR H 1 44 TYR QD 2.000 . 5.500 3.964 3.474 4.049 . 0 0 "[ . 1]" 2
89 1 44 TYR HB3 1 44 TYR QD 2.000 . 3.300 2.359 2.325 2.561 . 0 0 "[ . 1]" 2
90 1 44 TYR HB2 1 44 TYR QD 2.000 . 2.700 2.454 2.294 2.484 . 0 0 "[ . 1]" 2
91 1 44 TYR QD 1 90 LEU MD1 2.000 . 4.000 3.848 3.183 4.012 0.012 10 0 "[ . 1]" 2
92 1 44 TYR QE 1 95 ILE MD 2.000 . 5.500 4.905 4.595 5.524 0.024 7 0 "[ . 1]" 2
93 1 45 PHE HA 1 45 PHE HB3 2.000 . 2.700 2.615 2.592 2.630 . 0 0 "[ . 1]" 2
94 1 45 PHE HA 1 45 PHE HB2 2.000 . 2.700 2.923 2.918 2.933 0.233 10 0 "[ . 1]" 2
95 1 45 PHE H 1 45 PHE QD 2.000 . 4.000 2.340 2.277 2.395 . 0 0 "[ . 1]" 2
96 1 45 PHE QB 1 45 PHE QD 2.000 . 3.300 2.142 2.136 2.147 . 0 0 "[ . 1]" 2
97 1 45 PHE HA 1 45 PHE QD 2.000 . 5.500 2.971 2.899 2.999 . 0 0 "[ . 1]" 2
98 1 45 PHE H 1 46 SER HA 2.000 . 5.500 5.196 5.170 5.216 . 0 0 "[ . 1]" 2
99 1 46 SER H 1 46 SER HA 2.000 . 2.700 2.833 2.826 2.842 0.142 3 0 "[ . 1]" 2
100 1 46 SER HA 1 49 GLY H 2.000 . 3.300 3.198 3.159 3.238 . 0 0 "[ . 1]" 2
101 1 46 SER HA 1 47 LYS H 2.000 . 3.300 3.230 3.225 3.236 . 0 0 "[ . 1]" 2
102 1 46 SER HA 1 46 SER QB 2.000 . 2.700 2.368 2.193 2.479 . 0 0 "[ . 1]" 2
103 1 46 SER HA 1 51 ILE MD 2.000 . 3.300 2.078 2.050 2.102 . 0 0 "[ . 1]" 2
104 1 46 SER HA 1 51 ILE QG 2.000 . 4.000 3.328 3.250 3.383 . 0 0 "[ . 1]" 2
105 1 46 SER HA 1 48 PHE H 2.000 . 4.000 3.598 3.545 3.646 . 0 0 "[ . 1]" 2
106 1 47 LYS HA 1 47 LYS QB 2.000 . 2.700 2.458 2.454 2.463 . 0 0 "[ . 1]" 2
107 1 47 LYS QB 1 47 LYS QG 2.000 . 2.700 2.029 2.027 2.031 . 0 0 "[ . 1]" 2
108 1 47 LYS QD 1 47 LYS QE 2.000 . 2.700 2.062 2.018 2.091 . 0 0 "[ . 1]" 2
109 1 48 PHE HA 1 48 PHE QD 2.000 . 3.300 2.963 2.903 3.006 . 0 0 "[ . 1]" 2
110 1 48 PHE HA 1 48 PHE QE 2.000 . 5.500 4.420 4.387 4.465 . 0 0 "[ . 1]" 2
111 1 48 PHE QB 1 48 PHE QD 2.000 . 3.300 2.122 2.120 2.126 . 0 0 "[ . 1]" 2
112 1 48 PHE QD 1 82 VAL MG2 2.000 . 4.000 2.522 2.323 2.771 . 0 0 "[ . 1]" 2
113 1 48 PHE HA 1 48 PHE HB3 2.000 . 2.700 2.838 2.781 2.911 0.211 3 0 "[ . 1]" 2
114 1 48 PHE HA 1 48 PHE HB2 2.000 . 2.700 2.804 2.714 2.865 0.165 6 0 "[ . 1]" 2
115 1 49 GLY QA 1 73 PHE QD 2.000 . 3.300 3.278 3.188 3.324 0.024 1 0 "[ . 1]" 2
116 1 49 GLY QA 1 50 GLU QB 2.000 . 5.500 3.805 3.789 3.825 . 0 0 "[ . 1]" 2
117 1 49 GLY QA 1 73 PHE QB 2.000 . 5.500 4.948 4.766 5.101 . 0 0 "[ . 1]" 2
118 1 50 GLU HA 1 50 GLU QB 2.000 . 3.300 2.411 2.406 2.417 . 0 0 "[ . 1]" 2
119 1 50 GLU QB 1 50 GLU QG 2.000 . 2.700 2.085 2.083 2.086 . 0 0 "[ . 1]" 2
120 1 51 ILE MD 1 73 PHE HA 2.000 . 5.500 4.810 4.772 4.874 . 0 0 "[ . 1]" 2
121 1 42 ARG HA 1 51 ILE MD 2.000 . 2.700 2.161 2.128 2.256 . 0 0 "[ . 1]" 2
122 1 42 ARG QD 1 51 ILE MD 2.000 . 5.500 4.255 3.917 4.406 . 0 0 "[ . 1]" 2
123 1 42 ARG QG 1 51 ILE MD 2.000 . 3.300 2.677 2.508 2.770 . 0 0 "[ . 1]" 2
124 1 51 ILE HB 1 51 ILE MD 2.000 . 2.700 2.111 2.087 2.134 . 0 0 "[ . 1]" 2
125 1 51 ILE MD 1 51 ILE HG13 2.000 . 2.700 2.123 2.119 2.127 . 0 0 "[ . 1]" 2
126 1 51 ILE MD 1 51 ILE HG12 2.000 . 2.700 2.099 2.092 2.106 . 0 0 "[ . 1]" 2
127 1 51 ILE MD 1 71 VAL HA 2.000 . 5.500 5.466 5.427 5.538 0.038 5 0 "[ . 1]" 2
128 1 51 ILE HA 1 51 ILE HB 2.000 . 2.700 2.965 2.962 2.968 0.268 2 0 "[ . 1]" 2
129 1 51 ILE HB 1 51 ILE HG13 2.000 . 2.700 2.718 2.708 2.729 0.029 3 0 "[ . 1]" 2
130 1 51 ILE HB 1 51 ILE HG12 2.000 . 2.700 2.875 2.865 2.883 0.183 10 0 "[ . 1]" 2
131 1 51 ILE QG 1 51 ILE MG 2.000 . 2.700 2.090 2.071 2.100 . 0 0 "[ . 1]" 2
132 1 51 ILE MD 1 51 ILE QG 2.000 . 2.700 1.881 1.876 1.886 . 0 0 "[ . 1]" 2
133 1 52 ARG HA 1 52 ARG QB 2.000 . 2.700 2.492 2.481 2.497 . 0 0 "[ . 1]" 2
134 1 52 ARG QB 1 52 ARG QG 2.000 . 2.700 2.076 2.070 2.081 . 0 0 "[ . 1]" 2
135 1 52 ARG QD 1 52 ARG QG 2.000 . 2.700 2.083 2.029 2.093 . 0 0 "[ . 1]" 2
136 1 53 GLU HA 1 54 CYS H 2.000 . 2.700 2.320 2.306 2.327 . 0 0 "[ . 1]" 2
137 1 53 GLU HA 1 53 GLU QB 2.000 . 3.300 2.484 2.477 2.494 . 0 0 "[ . 1]" 2
138 1 54 CYS HA 1 54 CYS QB 2.000 . 2.700 2.324 2.279 2.347 . 0 0 "[ . 1]" 2
139 1 54 CYS QB 1 71 VAL HB 2.000 . 5.500 5.133 5.061 5.194 . 0 0 "[ . 1]" 2
140 1 54 CYS QB 1 71 VAL HA 2.000 . 3.300 3.361 3.349 3.382 0.082 7 0 "[ . 1]" 2
141 1 54 CYS H 1 54 CYS HA 2.000 . 2.700 2.856 2.845 2.865 0.165 3 0 "[ . 1]" 2
142 1 54 CYS HA 1 72 THR H 2.000 . 3.300 2.871 2.801 2.977 . 0 0 "[ . 1]" 2
143 1 55 MET HA 1 55 MET HB3 2.000 . 2.700 2.967 2.962 2.970 0.270 4 0 "[ . 1]" 2
144 1 55 MET HA 1 55 MET HB2 2.000 . 2.700 2.417 2.405 2.439 . 0 0 "[ . 1]" 2
145 1 55 MET QB 1 55 MET QG 2.000 . 2.700 2.082 2.077 2.084 . 0 0 "[ . 1]" 2
146 1 55 MET ME 1 55 MET QG 2.000 . 3.300 2.292 2.214 2.373 . 0 0 "[ . 1]" 2
147 1 55 MET ME 1 70 PHE H 2.000 . 5.500 4.791 4.036 5.480 . 0 0 "[ . 1]" 2
148 1 55 MET ME 1 70 PHE QD 2.000 . 4.000 3.369 2.613 4.028 0.028 10 0 "[ . 1]" 2
149 1 56 VAL HA 1 56 VAL HB 2.000 . 2.700 2.972 2.970 2.974 0.274 9 0 "[ . 1]" 2
150 1 56 VAL HA 1 56 VAL MG2 2.000 . 3.300 2.416 2.392 2.440 . 0 0 "[ . 1]" 2
151 1 56 VAL HA 1 56 VAL MG1 2.000 . 2.700 2.400 2.362 2.417 . 0 0 "[ . 1]" 2
152 1 56 VAL HB 1 56 VAL MG1 2.000 . 2.700 2.126 2.119 2.129 . 0 0 "[ . 1]" 2
153 1 56 VAL HB 1 56 VAL MG2 2.000 . 2.700 2.113 2.100 2.116 . 0 0 "[ . 1]" 2
154 1 57 MET ME 1 57 MET QG 2.000 . 2.700 2.227 2.143 2.327 . 0 0 "[ . 1]" 2
155 1 57 MET HA 1 57 MET QB 2.000 . 2.700 2.513 2.475 2.530 . 0 0 "[ . 1]" 2
156 1 57 MET QB 1 57 MET QG 2.000 . 2.700 2.002 1.985 2.073 . 0 0 "[ . 1]" 2
157 1 58 ARG HA 1 58 ARG QB 2.000 . 2.700 2.496 2.457 2.531 . 0 0 "[ . 1]" 2
158 1 58 ARG QB 1 58 ARG QG 2.000 . 2.700 2.086 2.085 2.087 . 0 0 "[ . 1]" 2
159 1 58 ARG QD 1 58 ARG QG 2.000 . 2.700 2.076 2.019 2.091 . 0 0 "[ . 1]" 2
160 1 58 ARG HA 1 58 ARG QD 2.000 . 4.000 3.970 3.920 4.062 0.062 7 0 "[ . 1]" 2
161 1 58 ARG HA 1 58 ARG QG 2.000 . 2.700 2.276 2.229 2.329 . 0 0 "[ . 1]" 2
162 1 59 ASP HA 1 59 ASP HB2 2.000 . 2.700 2.908 2.898 2.926 0.226 6 0 "[ . 1]" 2
163 1 59 ASP HA 1 59 ASP HB3 2.000 . 2.700 2.661 2.622 2.681 . 0 0 "[ . 1]" 2
164 1 59 ASP HA 1 60 PRO QD 2.000 . 2.700 2.010 1.990 2.032 . 0 0 "[ . 1]" 2
165 1 60 PRO QB 1 60 PRO QG 2.000 . 2.700 1.968 1.964 1.971 . 0 0 "[ . 1]" 2
166 1 60 PRO QD 1 60 PRO QG 2.000 . 2.700 1.970 1.968 1.974 . 0 0 "[ . 1]" 2
167 1 61 THR HA 1 61 THR HB 2.000 . 2.700 2.546 2.542 2.550 . 0 0 "[ . 1]" 2
168 1 61 THR HA 1 61 THR MG 2.000 . 2.700 2.269 2.249 2.281 . 0 0 "[ . 1]" 2
169 1 61 THR HB 1 61 THR MG 2.000 . 2.700 2.133 2.132 2.135 . 0 0 "[ . 1]" 2
170 1 62 THR HA 1 62 THR HB 2.000 . 2.700 2.472 2.451 2.498 . 0 0 "[ . 1]" 2
171 1 62 THR HA 1 62 THR MG 2.000 . 2.700 2.377 2.334 2.406 . 0 0 "[ . 1]" 2
172 1 62 THR HB 1 62 THR MG 2.000 . 2.700 2.134 2.132 2.136 . 0 0 "[ . 1]" 2
173 1 63 LYS HA 1 63 LYS QB 2.000 . 2.700 2.334 2.254 2.443 . 0 0 "[ . 1]" 2
174 1 63 LYS QB 1 63 LYS QG 2.000 . 2.700 2.023 2.015 2.034 . 0 0 "[ . 1]" 2
175 1 63 LYS QD 1 63 LYS QE 2.000 . 2.700 2.075 2.014 2.091 . 0 0 "[ . 1]" 2
176 1 64 ARG HA 1 64 ARG QB 2.000 . 2.700 2.335 2.172 2.421 . 0 0 "[ . 1]" 2
177 1 64 ARG QB 1 64 ARG QG 2.000 . 2.700 2.072 2.024 2.092 . 0 0 "[ . 1]" 2
178 1 64 ARG QD 1 64 ARG QG 2.000 . 2.700 2.060 2.011 2.090 . 0 0 "[ . 1]" 2
179 1 65 SER HA 1 65 SER QB 2.000 . 3.300 2.341 2.188 2.420 . 0 0 "[ . 1]" 2
180 1 66 ARG HA 1 66 ARG QB 2.000 . 2.700 2.462 2.427 2.505 . 0 0 "[ . 1]" 2
181 1 66 ARG QB 1 66 ARG QG 2.000 . 2.700 2.086 2.066 2.089 . 0 0 "[ . 1]" 2
182 1 66 ARG QD 1 66 ARG QG 2.000 . 2.700 2.068 2.014 2.091 . 0 0 "[ . 1]" 2
183 1 32 LEU MD1 1 68 PHE HA 2.000 . 3.300 2.501 2.398 2.631 . 0 0 "[ . 1]" 2
184 1 32 LEU HG 1 68 PHE HA 2.000 . 2.700 2.660 2.597 2.728 0.028 1 0 "[ . 1]" 2
185 1 32 LEU QB 1 68 PHE HA 2.000 . 4.000 3.652 3.590 3.756 . 0 0 "[ . 1]" 2
186 1 30 GLY QA 1 68 PHE HA 2.000 . 3.300 2.551 2.485 2.641 . 0 0 "[ . 1]" 2
187 1 68 PHE HA 1 68 PHE QD 2.000 . 3.300 3.640 3.581 3.675 0.375 4 0 "[ . 1]" 2
188 1 68 PHE HA 1 68 PHE QB 2.000 . 3.300 2.161 2.158 2.165 . 0 0 "[ . 1]" 2
189 1 32 LEU MD2 1 69 GLY HA3 2.000 . 5.500 4.352 4.253 4.552 . 0 0 "[ . 1]" 2
190 1 32 LEU MD1 1 69 GLY HA3 2.000 . 3.300 2.487 2.356 2.723 . 0 0 "[ . 1]" 2
191 1 41 LEU MD1 1 69 GLY HA3 2.000 . 5.500 3.108 2.934 3.463 . 0 0 "[ . 1]" 2
192 1 68 PHE QD 1 69 GLY HA3 2.000 . 4.500 4.299 4.173 4.453 . 0 0 "[ . 1]" 2
193 1 69 GLY HA3 1 70 PHE QD 2.000 . 4.000 4.007 3.975 4.029 0.029 9 0 "[ . 1]" 2
194 1 56 VAL MG2 1 69 GLY HA3 2.000 . 3.300 2.814 2.691 2.889 . 0 0 "[ . 1]" 2
195 1 56 VAL MG1 1 69 GLY HA3 2.000 . 4.000 3.340 3.251 3.441 . 0 0 "[ . 1]" 2
196 1 56 VAL MG2 1 69 GLY HA2 2.000 . 4.000 4.000 3.892 4.030 0.030 3 0 "[ . 1]" 2
197 1 56 VAL MG1 1 69 GLY HA2 2.000 . 4.000 3.885 3.791 3.960 . 0 0 "[ . 1]" 2
198 1 69 GLY HA2 1 70 PHE QD 2.000 . 3.300 2.767 2.745 2.788 . 0 0 "[ . 1]" 2
199 1 29 ILE HG12 1 70 PHE HA 2.000 . 5.500 2.446 2.346 2.552 . 0 0 "[ . 1]" 2
200 1 29 ILE HG13 1 70 PHE HA 2.000 . 5.500 3.940 3.846 4.058 . 0 0 "[ . 1]" 2
201 1 70 PHE HA 1 71 VAL HA 2.000 . 4.500 4.526 4.510 4.547 0.047 6 0 "[ . 1]" 2
202 1 70 PHE HA 1 70 PHE HB2 2.000 . 2.700 2.971 2.968 2.973 0.273 7 0 "[ . 1]" 2
203 1 70 PHE HA 1 70 PHE QD 2.000 . 3.300 3.075 3.053 3.092 . 0 0 "[ . 1]" 2
204 1 28 PHE HA 1 70 PHE HA 2.000 . 2.700 2.340 2.215 2.406 . 0 0 "[ . 1]" 2
205 1 69 GLY HA3 1 70 PHE HA 2.000 . 4.500 4.365 4.358 4.381 . 0 0 "[ . 1]" 2
206 1 69 GLY HA2 1 70 PHE HA 2.000 . 4.500 4.513 4.507 4.521 0.021 3 0 "[ . 1]" 2
207 1 29 ILE MD 1 70 PHE HA 2.000 . 5.500 3.555 3.362 3.647 . 0 0 "[ . 1]" 2
208 1 29 ILE HB 1 70 PHE HA 2.000 . 5.500 4.413 4.306 4.524 . 0 0 "[ . 1]" 2
209 1 70 PHE H 1 70 PHE QD 2.000 . 2.700 2.801 2.784 2.821 0.121 9 0 "[ . 1]" 2
210 1 70 PHE HB3 1 70 PHE QD 2.000 . 2.700 2.361 2.355 2.368 . 0 0 "[ . 1]" 2
211 1 70 PHE HB2 1 70 PHE QD 2.000 . 2.700 2.424 2.406 2.433 . 0 0 "[ . 1]" 2
212 1 70 PHE QD 1 71 VAL H 2.000 . 4.000 3.712 3.595 3.774 . 0 0 "[ . 1]" 2
213 1 68 PHE QD 1 70 PHE QD 2.000 . 4.000 4.007 3.968 4.054 0.054 4 0 "[ . 1]" 2
214 1 54 CYS HA 1 71 VAL HA 2.000 . 2.700 2.208 2.165 2.246 . 0 0 "[ . 1]" 2
215 1 71 VAL HA 1 71 VAL MG1 2.000 . 2.700 2.422 2.401 2.437 . 0 0 "[ . 1]" 2
216 1 71 VAL HA 1 72 THR HG1 2.000 . 2.700 2.966 2.949 2.983 0.283 9 0 "[ . 1]" 2
217 1 41 LEU MD1 1 71 VAL HA 2.000 . 5.500 4.945 4.210 5.149 . 0 0 "[ . 1]" 2
218 1 42 ARG H 1 71 VAL MG1 2.000 . 5.500 5.147 4.945 5.338 . 0 0 "[ . 1]" 2
219 1 71 VAL HB 1 71 VAL MG1 2.000 . 3.300 2.103 2.094 2.109 . 0 0 "[ . 1]" 2
220 1 71 VAL MG1 1 71 VAL MG2 2.000 . 2.700 2.041 2.027 2.057 . 0 0 "[ . 1]" 2
221 1 51 ILE MG 1 71 VAL MG1 2.000 . 2.700 1.998 1.961 2.033 . 0 0 "[ . 1]" 2
222 1 51 ILE MD 1 71 VAL MG1 2.000 . 2.700 2.547 2.492 2.613 . 0 0 "[ . 1]" 2
223 1 51 ILE HG13 1 71 VAL MG1 2.000 . 3.300 3.298 3.274 3.314 0.014 2 0 "[ . 1]" 2
224 1 51 ILE HB 1 71 VAL MG1 2.000 . 5.500 3.904 3.863 3.932 . 0 0 "[ . 1]" 2
225 1 51 ILE HA 1 71 VAL MG1 2.000 . 4.000 3.808 3.787 3.828 . 0 0 "[ . 1]" 2
226 1 71 VAL MG1 1 73 PHE QD 2.000 . 4.000 3.024 2.847 3.410 . 0 0 "[ . 1]" 2
227 1 45 PHE HB3 1 71 VAL MG1 2.000 . 3.300 2.878 2.755 3.074 . 0 0 "[ . 1]" 2
228 1 45 PHE HB2 1 71 VAL MG1 2.000 . 3.300 2.917 2.827 3.013 . 0 0 "[ . 1]" 2
229 1 54 CYS QB 1 71 VAL MG1 2.000 . 3.300 3.072 2.975 3.143 . 0 0 "[ . 1]" 2
230 1 54 CYS HA 1 71 VAL MG1 2.000 . 5.500 3.535 3.414 3.591 . 0 0 "[ . 1]" 2
231 1 70 PHE HA 1 71 VAL MG1 2.000 . 5.500 5.510 5.499 5.525 0.025 7 0 "[ . 1]" 2
232 1 71 VAL MG1 1 73 PHE QE 2.000 . 5.500 2.677 2.528 2.801 . 0 0 "[ . 1]" 2
233 1 41 LEU QB 1 71 VAL MG2 2.000 . 3.300 2.554 2.453 2.939 . 0 0 "[ . 1]" 2
234 1 41 LEU MD1 1 71 VAL MG2 2.000 . 2.700 2.682 1.956 2.790 0.090 1 0 "[ . 1]" 2
235 1 41 LEU HA 1 71 VAL MG2 2.000 . 5.500 4.250 4.140 4.857 . 0 0 "[ . 1]" 2
236 1 45 PHE QD 1 71 VAL MG2 2.000 . 3.300 3.350 3.311 3.391 0.091 1 0 "[ . 1]" 2
237 1 45 PHE HB2 1 71 VAL MG2 2.000 . 4.000 3.224 3.108 3.358 . 0 0 "[ . 1]" 2
238 1 45 PHE HA 1 71 VAL MG2 2.000 . 5.500 5.380 5.234 5.566 0.066 5 0 "[ . 1]" 2
239 1 54 CYS HA 1 71 VAL MG2 2.000 . 5.500 3.242 3.162 3.310 . 0 0 "[ . 1]" 2
240 1 54 CYS QB 1 71 VAL MG2 2.000 . 3.300 2.739 2.681 2.802 . 0 0 "[ . 1]" 2
241 1 71 VAL HB 1 71 VAL MG2 2.000 . 3.300 2.131 2.128 2.135 . 0 0 "[ . 1]" 2
242 1 71 VAL HA 1 71 VAL MG2 2.000 . 2.700 2.424 2.398 2.453 . 0 0 "[ . 1]" 2
243 1 29 ILE MD 1 71 VAL MG2 2.000 . 4.000 2.720 2.556 2.831 . 0 0 "[ . 1]" 2
244 1 72 THR HA 1 72 THR HB 2.000 . 2.700 2.939 2.934 2.945 0.245 10 0 "[ . 1]" 2
245 1 72 THR HB 1 72 THR MG 2.000 . 2.700 2.099 2.096 2.103 . 0 0 "[ . 1]" 2
246 1 73 PHE HA 1 73 PHE QD 2.000 . 3.300 2.776 2.730 2.822 . 0 0 "[ . 1]" 2
247 1 73 PHE HA 1 74 ALA H 2.000 . 2.700 2.158 2.148 2.169 . 0 0 "[ . 1]" 2
248 1 51 ILE MG 1 73 PHE HA 2.000 . 3.300 3.290 3.255 3.328 0.028 10 0 "[ . 1]" 2
249 1 73 PHE HA 1 73 PHE QB 2.000 . 3.300 2.447 2.405 2.459 . 0 0 "[ . 1]" 2
250 1 51 ILE HA 1 73 PHE HA 2.000 . 2.700 2.063 2.006 2.121 . 0 0 "[ . 1]" 2
251 1 52 ARG H 1 74 ALA HA 2.000 . 5.500 4.282 4.187 4.347 . 0 0 "[ . 1]" 2
252 1 74 ALA HA 1 74 ALA MB 2.000 . 2.700 2.119 2.115 2.122 . 0 0 "[ . 1]" 2
253 1 73 PHE QB 1 75 ASP HA 2.000 . 5.500 4.895 4.793 4.965 . 0 0 "[ . 1]" 2
254 1 75 ASP HA 1 76 PRO QD 2.000 . 2.700 1.941 1.928 1.959 . 0 0 "[ . 1]" 2
255 1 75 ASP HA 1 76 PRO QG 2.000 . 4.500 3.816 3.807 3.831 . 0 0 "[ . 1]" 2
256 1 75 ASP HA 1 75 ASP QB 2.000 . 3.300 2.431 2.418 2.445 . 0 0 "[ . 1]" 2
257 1 76 PRO HA 1 76 PRO HB3 2.000 . 2.700 2.231 2.226 2.239 . 0 0 "[ . 1]" 2
258 1 76 PRO HA 1 76 PRO HB2 2.000 . 2.700 2.873 2.869 2.881 0.181 5 0 "[ . 1]" 2
259 1 77 ALA MB 1 80 ASP QB 2.000 . 5.500 3.696 3.613 3.742 . 0 0 "[ . 1]" 2
260 1 77 ALA HA 1 77 ALA MB 2.000 . 2.700 2.121 2.119 2.123 . 0 0 "[ . 1]" 2
261 1 77 ALA MB 1 81 LYS QE 2.000 . 4.000 3.338 2.974 3.944 . 0 0 "[ . 1]" 2
262 1 77 ALA HA 1 80 ASP QB 2.000 . 3.300 2.632 2.564 2.715 . 0 0 "[ . 1]" 2
263 1 78 SER HA 1 78 SER HB2 2.000 . 2.700 2.579 2.562 2.599 . 0 0 "[ . 1]" 2
264 1 79 VAL HA 1 82 VAL MG2 2.000 . 4.000 3.523 3.354 3.748 . 0 0 "[ . 1]" 2
265 1 79 VAL HA 1 82 VAL MG1 2.000 . 5.500 4.323 4.221 4.511 . 0 0 "[ . 1]" 2
266 1 79 VAL HA 1 79 VAL MG1 2.000 . 2.700 2.351 2.321 2.393 . 0 0 "[ . 1]" 2
267 1 79 VAL HA 1 79 VAL MG2 2.000 . 2.700 2.558 2.523 2.590 . 0 0 "[ . 1]" 2
268 1 79 VAL HA 1 99 VAL MG2 2.000 . 4.000 4.033 3.877 4.116 0.116 9 0 "[ . 1]" 2
269 1 79 VAL HA 1 82 VAL HB 2.000 . 3.300 2.914 2.807 3.067 . 0 0 "[ . 1]" 2
270 1 79 VAL HB 1 79 VAL MG1 2.000 . 2.700 2.134 2.133 2.135 . 0 0 "[ . 1]" 2
271 1 79 VAL HB 1 79 VAL MG2 2.000 . 2.700 2.132 2.129 2.135 . 0 0 "[ . 1]" 2
272 1 80 ASP HA 1 80 ASP QB 2.000 . 3.300 2.468 2.466 2.473 . 0 0 "[ . 1]" 2
273 1 81 LYS HA 1 81 LYS QB 2.000 . 2.700 2.397 2.388 2.405 . 0 0 "[ . 1]" 2
274 1 81 LYS QB 1 81 LYS QG 2.000 . 2.700 2.076 2.071 2.081 . 0 0 "[ . 1]" 2
275 1 81 LYS QD 1 81 LYS QG 2.000 . 2.700 2.092 2.091 2.095 . 0 0 "[ . 1]" 2
276 1 81 LYS QD 1 81 LYS QE 2.000 . 2.700 2.062 2.015 2.090 . 0 0 "[ . 1]" 2
277 1 82 VAL HB 1 82 VAL MG1 2.000 . 2.700 2.134 2.131 2.137 . 0 0 "[ . 1]" 2
278 1 82 VAL HA 1 82 VAL MG1 2.000 . 2.700 2.475 2.394 2.520 . 0 0 "[ . 1]" 2
279 1 82 VAL HA 1 82 VAL MG2 2.000 . 2.700 2.368 2.347 2.416 . 0 0 "[ . 1]" 2
280 1 82 VAL HB 1 82 VAL MG2 2.000 . 2.700 2.132 2.130 2.134 . 0 0 "[ . 1]" 2
281 1 82 VAL HA 1 85 GLN H 2.000 . 3.300 3.390 3.349 3.428 0.128 9 0 "[ . 1]" 2
282 1 83 LEU HA 1 83 LEU QB 2.000 . 2.700 2.497 2.485 2.510 . 0 0 "[ . 1]" 2
283 1 83 LEU QB 1 83 LEU HG 2.000 . 2.700 2.201 2.123 2.331 . 0 0 "[ . 1]" 2
284 1 83 LEU MD1 1 83 LEU HG 2.000 . 2.700 2.122 2.119 2.125 . 0 0 "[ . 1]" 2
285 1 83 LEU MD2 1 83 LEU HG 2.000 . 2.700 2.112 2.107 2.118 . 0 0 "[ . 1]" 2
286 1 85 GLN HA 1 85 GLN QG 2.000 . 2.700 2.432 2.296 2.530 . 0 0 "[ . 1]" 2
287 1 85 GLN HA 1 85 GLN QB 2.000 . 2.700 2.421 2.408 2.436 . 0 0 "[ . 1]" 2
288 1 85 GLN HA 1 86 PRO QD 2.000 . 2.700 2.040 2.010 2.121 . 0 0 "[ . 1]" 2
289 1 86 PRO QB 1 86 PRO QG 2.000 . 2.700 1.955 1.950 1.958 . 0 0 "[ . 1]" 2
290 1 86 PRO QD 1 86 PRO QG 2.000 . 2.700 1.969 1.966 1.972 . 0 0 "[ . 1]" 2
291 1 87 HIS HA 1 87 HIS QB 2.000 . 2.700 2.457 2.448 2.464 . 0 0 "[ . 1]" 2
292 1 88 HIS HA 1 88 HIS HB2 2.000 . 2.700 2.735 2.706 2.766 0.066 6 0 "[ . 1]" 2
293 1 89 GLU HA 1 89 GLU QG 2.000 . 2.700 2.267 2.245 2.293 . 0 0 "[ . 1]" 2
294 1 89 GLU HA 1 89 GLU QB 2.000 . 2.700 2.486 2.480 2.490 . 0 0 "[ . 1]" 2
295 1 89 GLU H 1 89 GLU HA 2.000 . 2.700 2.869 2.867 2.873 0.173 6 0 "[ . 1]" 2
296 1 89 GLU HA 1 93 LYS H 2.000 . 5.500 4.397 4.340 4.437 . 0 0 "[ . 1]" 2
297 1 89 GLU HA 1 94 THR HA 2.000 . 2.700 2.488 2.313 2.591 . 0 0 "[ . 1]" 2
298 1 89 GLU H 1 89 GLU QB 2.000 . 3.300 2.434 2.413 2.448 . 0 0 "[ . 1]" 2
299 1 90 LEU HA 1 90 LEU MD1 2.000 . 2.700 2.550 2.524 2.583 . 0 0 "[ . 1]" 2
300 1 90 LEU HA 1 90 LEU HG 2.000 . 3.300 3.066 3.000 3.111 . 0 0 "[ . 1]" 2
301 1 90 LEU MD1 1 90 LEU MD2 2.000 . 2.700 2.071 2.054 2.088 . 0 0 "[ . 1]" 2
302 1 36 THR MG 1 90 LEU MD2 2.000 . 3.300 2.175 2.111 2.274 . 0 0 "[ . 1]" 2
303 1 44 TYR QB 1 90 LEU MD1 2.000 . 4.000 3.963 3.746 4.011 0.011 2 0 "[ . 1]" 2
304 1 91 ASP HA 1 91 ASP QB 2.000 . 3.300 2.370 2.360 2.387 . 0 0 "[ . 1]" 2
305 1 92 SER HA 1 92 SER QB 2.000 . 3.300 2.388 2.374 2.402 . 0 0 "[ . 1]" 2
306 1 93 LYS HA 1 93 LYS QB 2.000 . 2.700 2.153 2.151 2.165 . 0 0 "[ . 1]" 2
307 1 93 LYS QB 1 93 LYS QG 2.000 . 2.700 2.083 2.027 2.091 . 0 0 "[ . 1]" 2
308 1 93 LYS QD 1 93 LYS QG 2.000 . 2.700 2.090 2.083 2.092 . 0 0 "[ . 1]" 2
309 1 93 LYS QD 1 93 LYS QE 2.000 . 2.700 2.069 2.017 2.090 . 0 0 "[ . 1]" 2
310 1 94 THR HA 1 94 THR MG 2.000 . 2.700 2.291 2.265 2.309 . 0 0 "[ . 1]" 2
311 1 89 GLU QB 1 94 THR HA 2.000 . 5.500 4.160 4.055 4.259 . 0 0 "[ . 1]" 2
312 1 94 THR HA 1 95 ILE HA 2.000 . 4.500 4.415 4.409 4.421 . 0 0 "[ . 1]" 2
313 1 32 LEU HA 1 95 ILE MD 2.000 . 2.700 2.909 2.879 2.933 0.233 3 0 "[ . 1]" 2
314 1 90 LEU MD2 1 95 ILE MD 2.000 . 4.000 2.135 2.099 2.182 . 0 0 "[ . 1]" 2
315 1 90 LEU HG 1 95 ILE MD 2.000 . 5.500 4.338 4.193 4.423 . 0 0 "[ . 1]" 2
316 1 95 ILE MD 1 95 ILE MG 2.000 . 4.000 1.938 1.843 2.070 . 0 0 "[ . 1]" 2
317 1 95 ILE HA 1 95 ILE HB 2.000 . 2.700 2.444 2.434 2.453 . 0 0 "[ . 1]" 2
318 1 95 ILE HB 1 95 ILE HG13 2.000 . 2.700 2.527 2.482 2.593 . 0 0 "[ . 1]" 2
319 1 95 ILE HB 1 95 ILE HG12 2.000 . 2.700 2.977 2.964 2.984 0.284 7 0 "[ . 1]" 2
320 1 95 ILE HB 1 95 ILE MG 2.000 . 2.700 2.120 2.115 2.122 . 0 0 "[ . 1]" 2
321 1 96 ASP HA 1 97 PRO QD 2.000 . 2.700 2.202 2.120 2.295 . 0 0 "[ . 1]" 2
322 1 96 ASP HA 1 97 PRO QB 2.000 . 5.500 4.893 4.859 4.937 . 0 0 "[ . 1]" 2
323 1 96 ASP HA 1 96 ASP QB 2.000 . 3.300 2.426 2.417 2.435 . 0 0 "[ . 1]" 2
324 1 30 GLY H 1 97 PRO HA 2.000 . 3.300 3.090 2.960 3.264 . 0 0 "[ . 1]" 2
325 1 97 PRO HA 1 98 LYS QB 2.000 . 5.500 4.576 4.526 4.631 . 0 0 "[ . 1]" 2
326 1 97 PRO QB 1 97 PRO QG 2.000 . 2.700 1.955 1.950 1.961 . 0 0 "[ . 1]" 2
327 1 97 PRO QD 1 97 PRO QG 2.000 . 2.700 1.974 1.968 1.982 . 0 0 "[ . 1]" 2
328 1 98 LYS HA 1 98 LYS QB 2.000 . 2.700 2.200 2.166 2.308 . 0 0 "[ . 1]" 2
329 1 98 LYS QB 1 98 LYS QG 2.000 . 2.700 2.043 2.011 2.073 . 0 0 "[ . 1]" 2
330 1 98 LYS QD 1 98 LYS QG 2.000 . 2.700 2.083 2.059 2.093 . 0 0 "[ . 1]" 2
331 1 98 LYS QD 1 98 LYS QE 2.000 . 2.700 2.069 2.020 2.091 . 0 0 "[ . 1]" 2
332 1 99 VAL HA 1 99 VAL HB 2.000 . 2.700 2.964 2.951 2.977 0.277 1 0 "[ . 1]" 2
333 1 99 VAL HA 1 99 VAL MG1 2.000 . 3.300 2.296 2.261 2.344 . 0 0 "[ . 1]" 2
334 1 99 VAL HA 1 99 VAL MG2 2.000 . 3.300 2.574 2.509 2.637 . 0 0 "[ . 1]" 2
335 1 99 VAL HB 1 99 VAL MG1 2.000 . 2.700 2.126 2.121 2.129 . 0 0 "[ . 1]" 2
336 1 99 VAL HB 1 99 VAL MG2 2.000 . 2.700 2.122 2.115 2.131 . 0 0 "[ . 1]" 2
337 1 100 ALA HA 1 100 ALA MB 2.000 . 2.700 2.119 2.113 2.125 . 0 0 "[ . 1]" 2
338 1 101 PHE HA 1 101 PHE QB 2.000 . 3.300 2.508 2.466 2.532 . 0 0 "[ . 1]" 2
339 1 101 PHE HA 1 102 PRO QD 2.000 . 2.700 1.923 1.884 1.978 . 0 0 "[ . 1]" 2
340 1 102 PRO QB 1 102 PRO QG 2.000 . 2.700 1.966 1.949 1.981 . 0 0 "[ . 1]" 2
341 1 102 PRO QD 1 102 PRO QG 2.000 . 2.700 1.975 1.965 1.983 . 0 0 "[ . 1]" 2
342 1 103 ARG HA 1 103 ARG QD 2.000 . 5.500 4.037 3.934 4.165 . 0 0 "[ . 1]" 2
343 1 103 ARG HA 1 103 ARG QB 2.000 . 2.700 2.453 2.419 2.501 . 0 0 "[ . 1]" 2
344 1 103 ARG HA 1 103 ARG QG 2.000 . 3.300 2.339 2.267 2.398 . 0 0 "[ . 1]" 2
345 1 105 ALA HA 1 105 ALA MB 2.000 . 2.700 2.093 2.084 2.109 . 0 0 "[ . 1]" 2
346 1 106 GLN HA 1 107 PRO QD 2.000 . 2.700 2.099 2.048 2.183 . 0 0 "[ . 1]" 2
347 1 106 GLN HA 1 106 GLN QB 2.000 . 2.700 2.440 2.428 2.456 . 0 0 "[ . 1]" 2
348 1 106 GLN HA 1 106 GLN QG 2.000 . 3.300 2.321 2.289 2.366 . 0 0 "[ . 1]" 2
349 1 109 MET HA 1 109 MET ME 2.000 . 5.500 4.107 2.230 5.428 . 0 0 "[ . 1]" 2
350 1 111 THR HB 1 111 THR MG 2.000 . 2.700 2.139 2.135 2.142 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 91
_Distance_constraint_stats_list.Viol_total 29.567
_Distance_constraint_stats_list.Viol_max 0.096
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0325
_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 27 MET 0.017 0.014 9 0 "[ . 1]"
1 28 PHE 0.326 0.096 9 0 "[ . 1]"
1 29 ILE 0.537 0.059 10 0 "[ . 1]"
1 30 GLY 0.306 0.045 1 0 "[ . 1]"
1 38 PRO 0.000 0.000 . 0 "[ . 1]"
1 39 ASP 0.000 0.000 . 0 "[ . 1]"
1 40 SER 0.000 0.000 . 0 "[ . 1]"
1 41 LEU 0.044 0.044 10 0 "[ . 1]"
1 42 ARG 0.000 0.000 . 0 "[ . 1]"
1 43 ASP 0.000 0.000 . 0 "[ . 1]"
1 44 TYR 0.401 0.049 9 0 "[ . 1]"
1 45 PHE 0.044 0.044 10 0 "[ . 1]"
1 46 SER 0.000 0.000 . 0 "[ . 1]"
1 47 LYS 0.401 0.049 9 0 "[ . 1]"
1 53 GLU 1.023 0.079 6 0 "[ . 1]"
1 55 MET 0.072 0.025 3 0 "[ . 1]"
1 69 GLY 0.537 0.059 10 0 "[ . 1]"
1 70 PHE 0.072 0.025 3 0 "[ . 1]"
1 71 VAL 0.017 0.014 9 0 "[ . 1]"
1 72 THR 1.023 0.079 6 0 "[ . 1]"
1 77 ALA 0.000 0.000 . 0 "[ . 1]"
1 78 SER 0.000 0.000 . 0 "[ . 1]"
1 79 VAL 0.000 0.000 . 0 "[ . 1]"
1 80 ASP 0.225 0.031 9 0 "[ . 1]"
1 81 LYS 0.000 0.000 . 0 "[ . 1]"
1 82 VAL 0.000 0.000 . 0 "[ . 1]"
1 83 LEU 0.000 0.000 . 0 "[ . 1]"
1 84 GLY 0.225 0.031 9 0 "[ . 1]"
1 90 LEU 0.005 0.005 9 0 "[ . 1]"
1 93 LYS 0.005 0.005 9 0 "[ . 1]"
1 96 ASP 0.306 0.045 1 0 "[ . 1]"
1 98 LYS 0.326 0.096 9 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 27 MET O 1 71 VAL H 1.700 . 2.400 1.879 1.846 1.924 . 0 0 "[ . 1]" 3
2 1 27 MET O 1 71 VAL N 2.700 2.700 3.200 2.755 2.686 2.836 0.014 9 0 "[ . 1]" 3
3 1 27 MET H 1 71 VAL O 1.700 . 2.400 1.817 1.761 1.880 . 0 0 "[ . 1]" 3
4 1 27 MET N 1 71 VAL O 2.700 2.700 3.200 2.737 2.699 2.780 0.001 6 0 "[ . 1]" 3
5 1 28 PHE O 1 98 LYS H 1.700 . 2.400 1.919 1.817 2.137 . 0 0 "[ . 1]" 3
6 1 28 PHE O 1 98 LYS N 2.700 2.700 3.200 2.850 2.749 3.024 . 0 0 "[ . 1]" 3
7 1 28 PHE H 1 98 LYS O 1.700 . 2.400 1.776 1.694 1.829 0.006 8 0 "[ . 1]" 3
8 1 28 PHE N 1 98 LYS O 2.700 2.700 3.200 2.671 2.604 2.725 0.096 9 0 "[ . 1]" 3
9 1 29 ILE O 1 69 GLY H 1.700 . 2.400 1.772 1.739 1.835 . 0 0 "[ . 1]" 3
10 1 29 ILE O 1 69 GLY N 2.700 2.700 3.200 2.709 2.684 2.763 0.016 3 0 "[ . 1]" 3
11 1 29 ILE H 1 69 GLY O 1.700 . 2.400 1.881 1.856 1.925 . 0 0 "[ . 1]" 3
12 1 29 ILE N 1 69 GLY O 2.700 2.700 3.200 2.652 2.641 2.662 0.059 10 0 "[ . 1]" 3
13 1 30 GLY O 1 96 ASP H 1.700 . 2.400 1.735 1.718 1.751 . 0 0 "[ . 1]" 3
14 1 30 GLY O 1 96 ASP N 2.700 2.700 3.200 2.669 2.655 2.678 0.045 1 0 "[ . 1]" 3
15 1 30 GLY H 1 96 ASP O 1.700 . 2.400 1.882 1.795 2.004 . 0 0 "[ . 1]" 3
16 1 30 GLY N 1 96 ASP O 2.700 2.700 3.200 2.765 2.731 2.797 . 0 0 "[ . 1]" 3
17 1 55 MET O 1 70 PHE H 1.700 . 2.400 1.766 1.754 1.789 . 0 0 "[ . 1]" 3
18 1 55 MET O 1 70 PHE N 2.700 2.700 3.200 2.695 2.675 2.720 0.025 3 0 "[ . 1]" 3
19 1 55 MET H 1 70 PHE O 1.700 . 2.400 2.073 1.970 2.193 . 0 0 "[ . 1]" 3
20 1 55 MET N 1 70 PHE O 2.700 2.700 3.200 3.021 2.910 3.147 . 0 0 "[ . 1]" 3
21 1 53 GLU O 1 72 THR H 1.700 . 2.400 1.715 1.698 1.745 0.002 6 0 "[ . 1]" 3
22 1 53 GLU O 1 72 THR N 2.700 2.700 3.200 2.629 2.621 2.638 0.079 6 0 "[ . 1]" 3
23 1 53 GLU H 1 72 THR O 1.700 . 2.400 2.284 2.261 2.321 . 0 0 "[ . 1]" 3
24 1 53 GLU N 1 72 THR O 2.700 2.700 3.200 3.231 3.212 3.259 0.059 2 0 "[ . 1]" 3
25 1 90 LEU O 1 93 LYS H 1.700 . 2.400 1.845 1.796 1.862 . 0 0 "[ . 1]" 3
26 1 90 LEU O 1 93 LYS N 2.700 2.700 3.200 2.758 2.695 2.776 0.005 9 0 "[ . 1]" 3
27 1 90 LEU H 1 93 LYS O 1.700 . 2.400 1.786 1.752 1.828 . 0 0 "[ . 1]" 3
28 1 90 LEU N 1 93 LYS O 2.700 2.700 3.200 2.738 2.707 2.764 . 0 0 "[ . 1]" 3
29 1 44 TYR O 1 47 LYS H 1.700 . 2.400 2.440 2.434 2.449 0.049 9 0 "[ . 1]" 3
30 1 42 ARG O 1 46 SER H 1.700 . 2.400 2.146 2.055 2.275 . 0 0 "[ . 1]" 3
31 1 41 LEU O 1 45 PHE H 1.700 . 2.400 1.883 1.656 2.001 0.044 10 0 "[ . 1]" 3
32 1 40 SER O 1 44 TYR H 1.700 . 2.400 1.932 1.911 1.985 . 0 0 "[ . 1]" 3
33 1 39 ASP O 1 43 ASP H 1.700 . 2.400 1.803 1.787 1.863 . 0 0 "[ . 1]" 3
34 1 38 PRO O 1 42 ARG H 1.700 . 2.400 2.194 2.152 2.221 . 0 0 "[ . 1]" 3
35 1 77 ALA O 1 81 LYS H 1.700 . 2.400 2.137 2.078 2.245 . 0 0 "[ . 1]" 3
36 1 78 SER O 1 82 VAL H 1.700 . 2.400 2.032 1.945 2.089 . 0 0 "[ . 1]" 3
37 1 79 VAL O 1 83 LEU H 1.700 . 2.400 2.101 2.050 2.177 . 0 0 "[ . 1]" 3
38 1 80 ASP O 1 84 GLY H 1.700 . 2.400 2.422 2.409 2.431 0.031 9 0 "[ . 1]" 3
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save_
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