NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609166 |
5ggm   |
36005 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ggm
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 952
_Distance_constraint_stats_list.Viol_count 224
_Distance_constraint_stats_list.Viol_total 248.244
_Distance_constraint_stats_list.Viol_max 0.656
_Distance_constraint_stats_list.Viol_rms 0.0238
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.1108
_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 3 GLN 0.321 0.080 4 0 "[ . 1]"
1 4 LEU 0.301 0.074 6 0 "[ . 1]"
1 5 THR 0.132 0.115 6 0 "[ . 1]"
1 6 GLU 0.261 0.115 6 0 "[ . 1]"
1 7 GLU 0.023 0.023 7 0 "[ . 1]"
1 8 GLN 0.581 0.074 8 0 "[ . 1]"
1 9 ILE 0.581 0.074 8 0 "[ . 1]"
1 10 ALA 0.000 0.000 . 0 "[ . 1]"
1 11 GLU 0.000 0.000 . 0 "[ . 1]"
1 12 PHE 1.701 0.412 2 0 "[ . 1]"
1 13 LYS 0.656 0.239 5 0 "[ . 1]"
1 14 GLU 0.000 0.000 . 0 "[ . 1]"
1 15 ALA 0.000 0.000 . 0 "[ . 1]"
1 16 PHE 1.407 0.171 10 0 "[ . 1]"
1 17 SER 0.629 0.171 10 0 "[ . 1]"
1 18 LEU 0.000 0.000 . 0 "[ . 1]"
1 19 PHE 1.894 0.456 7 0 "[ . 1]"
1 20 ASP 0.000 0.000 . 0 "[ . 1]"
1 21 LYS 0.037 0.037 8 0 "[ . 1]"
1 22 ASP 0.000 0.000 . 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 ASP 0.000 0.000 . 0 "[ . 1]"
1 25 GLY 0.021 0.021 6 0 "[ . 1]"
1 26 THR 0.147 0.078 2 0 "[ . 1]"
1 27 ILE 0.928 0.311 10 0 "[ . 1]"
1 28 THR 0.000 0.000 . 0 "[ . 1]"
1 29 THR 1.134 0.345 7 0 "[ . 1]"
1 30 LYS 0.111 0.111 2 0 "[ . 1]"
1 31 GLU 0.000 0.000 . 0 "[ . 1]"
1 32 LEU 0.000 0.000 . 0 "[ . 1]"
1 33 GLY 0.067 0.063 1 0 "[ . 1]"
1 34 THR 0.063 0.063 1 0 "[ . 1]"
1 35 VAL 0.976 0.456 7 0 "[ . 1]"
1 36 MET 0.000 0.000 . 0 "[ . 1]"
1 37 ARG 0.000 0.000 . 0 "[ . 1]"
1 38 SER 0.000 0.000 . 0 "[ . 1]"
1 39 LEU 0.000 0.000 . 0 "[ . 1]"
1 40 GLY 0.000 0.000 . 0 "[ . 1]"
1 41 GLN 0.000 0.000 . 0 "[ . 1]"
1 42 ASN 0.000 0.000 . 0 "[ . 1]"
1 44 THR 0.000 0.000 . 0 "[ . 1]"
1 45 GLU 0.000 0.000 . 0 "[ . 1]"
1 46 ALA 0.000 0.000 . 0 "[ . 1]"
1 47 GLU 0.000 0.000 . 0 "[ . 1]"
1 48 LEU 0.004 0.004 6 0 "[ . 1]"
1 49 GLN 0.006 0.006 1 0 "[ . 1]"
1 50 ASP 0.009 0.004 8 0 "[ . 1]"
1 51 MET 0.009 0.004 8 0 "[ . 1]"
1 52 ILE 2.506 0.531 9 1 "[ . +1]"
1 53 ASN 0.343 0.202 10 0 "[ . 1]"
1 54 GLU 0.000 0.000 . 0 "[ . 1]"
1 55 VAL 0.342 0.187 7 0 "[ . 1]"
1 56 ASP 0.102 0.102 10 0 "[ . 1]"
1 57 ALA 0.000 0.000 . 0 "[ . 1]"
1 58 ASP 0.000 0.000 . 0 "[ . 1]"
1 59 GLY 0.000 0.000 . 0 "[ . 1]"
1 60 ASP 0.000 0.000 . 0 "[ . 1]"
1 61 GLY 0.000 0.000 . 0 "[ . 1]"
1 62 THR 0.000 0.000 . 0 "[ . 1]"
1 63 ILE 1.888 0.531 9 1 "[ . +1]"
1 64 ASP 0.606 0.253 8 0 "[ . 1]"
1 65 PHE 0.819 0.239 5 0 "[ . 1]"
1 66 PRO 0.000 0.000 . 0 "[ . 1]"
1 67 GLU 0.062 0.062 10 0 "[ . 1]"
1 68 PHE 0.555 0.253 8 0 "[ . 1]"
1 69 LEU 1.840 0.412 2 0 "[ . 1]"
1 70 THR 0.682 0.143 2 0 "[ . 1]"
1 71 MET 0.541 0.143 2 0 "[ . 1]"
1 72 MET 0.000 0.000 . 0 "[ . 1]"
1 73 ALA 0.002 0.002 2 0 "[ . 1]"
1 76 MET 0.000 0.000 . 0 "[ . 1]"
1 77 LYS 0.000 0.000 . 0 "[ . 1]"
1 78 ASP 0.068 0.068 3 0 "[ . 1]"
1 79 THR 0.223 0.139 10 0 "[ . 1]"
1 80 ASP 0.013 0.013 3 0 "[ . 1]"
1 81 SER 1.248 0.153 6 0 "[ . 1]"
1 82 GLU 1.338 0.153 6 0 "[ . 1]"
1 85 ILE 0.451 0.288 2 0 "[ . 1]"
1 86 ARG 0.323 0.288 2 0 "[ . 1]"
1 87 GLU 0.024 0.024 3 0 "[ . 1]"
1 88 ALA 0.000 0.000 . 0 "[ . 1]"
1 89 PHE 3.735 0.387 8 0 "[ . 1]"
1 90 ARG 0.000 0.000 . 0 "[ . 1]"
1 91 VAL 0.000 0.000 . 0 "[ . 1]"
1 92 PHE 0.153 0.062 2 0 "[ . 1]"
1 93 ASP 1.475 0.387 8 0 "[ . 1]"
1 94 LYS 0.318 0.176 3 0 "[ . 1]"
1 95 ASP 0.176 0.176 3 0 "[ . 1]"
1 96 GLY 0.000 0.000 . 0 "[ . 1]"
1 97 ASN 0.000 0.000 . 0 "[ . 1]"
1 98 GLY 0.000 0.000 . 0 "[ . 1]"
1 99 TYR 0.466 0.424 1 0 "[ . 1]"
1 100 ILE 0.084 0.072 1 0 "[ . 1]"
1 101 SER 0.000 0.000 . 0 "[ . 1]"
1 102 ALA 0.000 0.000 . 0 "[ . 1]"
1 103 ALA 0.000 0.000 . 0 "[ . 1]"
1 104 GLU 0.077 0.077 4 0 "[ . 1]"
1 105 LEU 0.394 0.091 1 0 "[ . 1]"
1 106 ARG 0.587 0.378 1 0 "[ . 1]"
1 107 HIS 0.000 0.000 . 0 "[ . 1]"
1 108 VAL 0.274 0.091 1 0 "[ . 1]"
1 109 MET 0.772 0.256 10 0 "[ . 1]"
1 110 THR 0.000 0.000 . 0 "[ . 1]"
1 111 ASN 0.000 0.000 . 0 "[ . 1]"
1 112 LEU 0.089 0.056 2 0 "[ . 1]"
1 113 GLY 0.000 0.000 . 0 "[ . 1]"
1 114 GLU 0.000 0.000 . 0 "[ . 1]"
1 115 LYS 0.000 0.000 . 0 "[ . 1]"
1 116 LEU 1.364 0.378 1 0 "[ . 1]"
1 117 THR 1.841 0.656 1 2 "[+ - . 1]"
1 118 ASP 0.076 0.043 3 0 "[ . 1]"
1 119 GLU 0.000 0.000 . 0 "[ . 1]"
1 121 VAL 0.000 0.000 . 0 "[ . 1]"
1 122 ASP 0.129 0.098 8 0 "[ . 1]"
1 123 GLU 0.381 0.252 8 0 "[ . 1]"
1 124 MET 0.000 0.000 . 0 "[ . 1]"
1 125 ILE 0.482 0.132 1 0 "[ . 1]"
1 126 ARG 0.375 0.132 1 0 "[ . 1]"
1 127 GLU 0.000 0.000 . 0 "[ . 1]"
1 128 ALA 0.000 0.000 . 0 "[ . 1]"
1 129 ASP 0.112 0.112 7 0 "[ . 1]"
1 130 ILE 0.199 0.066 8 0 "[ . 1]"
1 131 ASP 0.053 0.053 1 0 "[ . 1]"
1 132 GLY 0.197 0.112 7 0 "[ . 1]"
1 133 ASP 0.085 0.057 7 0 "[ . 1]"
1 134 GLY 0.000 0.000 . 0 "[ . 1]"
1 135 GLN 0.000 0.000 . 0 "[ . 1]"
1 136 VAL 0.119 0.072 1 0 "[ . 1]"
1 137 ASN 0.436 0.180 1 0 "[ . 1]"
1 138 TYR 0.705 0.276 2 0 "[ . 1]"
1 139 GLU 0.049 0.049 8 0 "[ . 1]"
1 140 GLU 0.000 0.000 . 0 "[ . 1]"
1 141 PHE 1.698 0.259 5 0 "[ . 1]"
1 142 VAL 0.014 0.014 5 0 "[ . 1]"
1 143 GLN 0.000 0.000 . 0 "[ . 1]"
1 144 MET 0.000 0.000 . 0 "[ . 1]"
1 145 MET 1.165 0.259 5 0 "[ . 1]"
1 146 THR 0.110 0.110 10 0 "[ . 1]"
1 147 ALA 0.000 0.000 . 0 "[ . 1]"
1 148 LYS 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 85 ILE MG 1 142 VAL MG2 3.000 . 5.500 3.560 3.277 3.797 . 0 0 "[ . 1]" 1
2 1 85 ILE MG 1 142 VAL HA 4.000 . 6.000 4.245 3.733 4.658 . 0 0 "[ . 1]" 1
3 1 141 PHE H 1 142 VAL MG2 5.000 . 7.000 4.342 3.885 4.573 . 0 0 "[ . 1]" 1
4 1 142 VAL MG1 1 146 THR MG 3.500 2.300 6.000 3.239 2.764 3.930 . 0 0 "[ . 1]" 1
5 1 85 ILE MD 1 142 VAL HA 4.000 . 6.000 4.098 3.604 4.537 . 0 0 "[ . 1]" 1
6 1 36 MET HA 1 39 LEU MD1 4.000 . 6.000 2.588 2.245 3.171 . 0 0 "[ . 1]" 1
7 1 39 LEU HA 1 39 LEU MD1 4.000 . 6.000 3.345 2.183 3.902 . 0 0 "[ . 1]" 1
8 1 39 LEU HA 1 39 LEU MD2 3.000 . 4.500 2.638 2.030 3.736 . 0 0 "[ . 1]" 1
9 1 36 MET HA 1 39 LEU QB 3.000 . 4.500 2.550 2.198 3.106 . 0 0 "[ . 1]" 1
10 1 91 VAL MG1 1 92 PHE HA 3.000 . 5.000 3.460 3.285 3.823 . 0 0 "[ . 1]" 1
11 1 39 LEU HA 1 91 VAL MG1 4.000 . 6.000 5.018 4.877 5.153 . 0 0 "[ . 1]" 1
12 1 88 ALA HA 1 91 VAL MG2 3.000 . 4.500 2.617 2.278 3.117 . 0 0 "[ . 1]" 1
13 1 18 LEU HA 1 18 LEU MD1 3.000 . 4.500 2.297 2.071 3.685 . 0 0 "[ . 1]" 1
14 1 18 LEU HA 1 18 LEU MD2 4.000 . 6.000 2.767 2.036 3.813 . 0 0 "[ . 1]" 1
15 1 18 LEU H 1 18 LEU MD1 4.000 . 6.000 4.050 3.734 4.225 . 0 0 "[ . 1]" 1
16 1 18 LEU H 1 18 LEU MD2 4.000 . 6.000 3.502 2.367 4.341 . 0 0 "[ . 1]" 1
17 1 18 LEU MD1 1 19 PHE H 4.000 . 6.000 4.520 3.929 4.808 . 0 0 "[ . 1]" 1
18 1 18 LEU MD2 1 19 PHE H 4.000 . 6.000 4.301 3.943 4.607 . 0 0 "[ . 1]" 1
19 1 15 ALA HA 1 18 LEU QB 3.500 2.300 4.500 2.592 2.429 2.724 . 0 0 "[ . 1]" 1
20 1 19 PHE HD1 1 32 LEU HA 3.000 . 4.000 3.263 3.065 3.546 . 0 0 "[ . 1]" 1
21 1 16 PHE HA 1 19 PHE HD2 3.000 . 4.000 3.577 3.092 4.071 0.071 8 0 "[ . 1]" 1
22 1 92 PHE HA 1 108 VAL MG2 3.000 . 5.000 2.802 2.617 3.171 . 0 0 "[ . 1]" 1
23 1 92 PHE H 1 108 VAL MG2 4.000 . 6.500 5.293 5.150 5.421 . 0 0 "[ . 1]" 1
24 1 108 VAL MG1 1 112 LEU QB 4.000 . 6.500 4.162 2.410 5.093 . 0 0 "[ . 1]" 1
25 1 92 PHE HA 1 108 VAL MG1 4.000 . 6.000 3.513 2.822 4.407 . 0 0 "[ . 1]" 1
26 1 108 VAL MG1 1 112 LEU MD2 3.000 . 5.500 2.523 2.123 2.769 . 0 0 "[ . 1]" 1
27 1 39 LEU MD2 1 108 VAL MG1 3.000 . 6.000 3.072 2.367 4.051 . 0 0 "[ . 1]" 1
28 1 19 PHE H 1 35 VAL MG2 4.000 . 5.500 5.348 4.893 5.956 0.456 7 0 "[ . 1]" 1
29 1 19 PHE HA 1 35 VAL MG2 3.000 . 4.500 2.925 2.363 3.504 . 0 0 "[ . 1]" 1
30 1 35 VAL MG1 1 39 LEU QB 4.000 . 6.500 4.468 4.011 4.725 . 0 0 "[ . 1]" 1
31 1 35 VAL MG1 1 39 LEU MD1 4.000 . 6.500 2.595 2.231 3.048 . 0 0 "[ . 1]" 1
32 1 35 VAL MG1 1 112 LEU MD1 3.000 . 5.500 3.628 3.458 3.809 . 0 0 "[ . 1]" 1
33 1 109 MET H 1 116 LEU MD1 5.000 2.800 7.000 5.248 4.322 5.890 . 0 0 "[ . 1]" 1
34 1 110 THR H 1 116 LEU MD1 5.000 2.800 7.000 5.071 3.651 5.870 . 0 0 "[ . 1]" 1
35 1 110 THR HA 1 116 LEU MD1 4.500 2.300 6.500 4.550 3.236 5.438 . 0 0 "[ . 1]" 1
36 1 109 MET QB 1 116 LEU MD1 3.500 2.300 5.500 2.531 2.044 3.272 0.256 10 0 "[ . 1]" 1
37 1 109 MET QG 1 116 LEU MD1 3.500 2.300 5.500 3.319 2.094 4.129 0.206 3 0 "[ . 1]" 1
38 1 116 LEU MD1 1 117 THR H 5.000 2.800 7.000 4.471 2.795 5.023 0.005 6 0 "[ . 1]" 1
39 1 116 LEU H 1 116 LEU MD1 3.500 2.300 5.000 3.783 3.478 4.009 . 0 0 "[ . 1]" 1
40 1 106 ARG HA 1 116 LEU MD1 5.000 2.800 7.000 4.265 2.422 5.150 0.378 1 0 "[ . 1]" 1
41 1 116 LEU MD1 1 121 VAL MG2 3.500 . 6.000 2.779 1.907 3.150 . 0 0 "[ . 1]" 1
42 1 116 LEU MD1 1 121 VAL HA 4.500 2.300 6.500 4.933 4.381 5.280 . 0 0 "[ . 1]" 1
43 1 116 LEU MD2 1 117 THR H 3.500 . 5.500 3.112 2.179 4.725 . 0 0 "[ . 1]" 1
44 1 116 LEU HA 1 116 LEU MD2 3.000 . 4.500 2.439 2.152 3.140 . 0 0 "[ . 1]" 1
45 1 92 PHE HA 1 100 ILE MD 4.000 . 6.500 4.567 4.176 5.249 . 0 0 "[ . 1]" 1
46 1 91 VAL MG1 1 92 PHE H 4.000 . 5.500 3.511 3.146 3.856 . 0 0 "[ . 1]" 1
47 1 91 VAL MG2 1 92 PHE H 4.000 . 6.000 4.128 3.998 4.205 . 0 0 "[ . 1]" 1
48 1 102 ALA H 1 135 GLN QB 4.000 . 6.000 3.933 3.267 4.451 . 0 0 "[ . 1]" 1
49 1 18 LEU MD1 1 114 GLU H 4.500 2.300 6.500 5.000 4.803 5.222 . 0 0 "[ . 1]" 1
50 1 18 LEU MD1 1 113 GLY H 4.500 2.300 6.500 5.747 5.485 6.081 . 0 0 "[ . 1]" 1
51 1 100 ILE HB 1 136 VAL MG1 4.000 . 6.500 4.553 3.485 5.364 . 0 0 "[ . 1]" 1
52 1 100 ILE HB 1 136 VAL MG2 4.000 . 6.500 4.388 3.297 5.347 . 0 0 "[ . 1]" 1
53 1 130 ILE MD 1 140 GLU H 4.000 . 6.000 4.580 3.487 4.910 . 0 0 "[ . 1]" 1
54 1 130 ILE MD 1 143 GLN H 4.000 . 6.000 4.654 3.950 4.962 . 0 0 "[ . 1]" 1
55 1 130 ILE MD 1 143 GLN HG3 3.000 . 5.000 2.647 2.053 3.457 . 0 0 "[ . 1]" 1
56 1 130 ILE MD 1 143 GLN QB 3.000 . 5.000 2.810 1.968 3.574 . 0 0 "[ . 1]" 1
57 1 102 ALA HA 1 105 LEU HB2 4.000 . 5.000 3.289 2.724 4.009 . 0 0 "[ . 1]" 1
58 1 100 ILE H 1 135 GLN HA 5.000 . 6.000 5.106 4.400 5.637 . 0 0 "[ . 1]" 1
59 1 128 ALA MB 1 136 VAL MG2 3.000 . 5.500 3.251 2.042 3.512 . 0 0 "[ . 1]" 1
60 1 4 LEU MD2 1 12 PHE HD2 3.000 . 5.000 2.767 2.324 4.500 . 0 0 "[ . 1]" 1
61 1 4 LEU MD1 1 12 PHE HE2 3.000 . 5.000 3.272 2.718 3.501 . 0 0 "[ . 1]" 1
62 1 12 PHE HA 1 12 PHE HD1 3.000 . 3.500 2.283 2.199 2.460 . 0 0 "[ . 1]" 1
63 1 12 PHE H 1 12 PHE HD1 4.000 . 5.000 4.534 3.963 4.737 . 0 0 "[ . 1]" 1
64 1 12 PHE H 1 69 LEU MD2 4.000 . 6.000 4.372 4.043 4.724 . 0 0 "[ . 1]" 1
65 1 13 LYS H 1 69 LEU MD2 4.500 . 6.500 4.623 3.929 5.233 . 0 0 "[ . 1]" 1
66 1 12 PHE HA 1 69 LEU MD2 4.500 2.300 6.500 4.312 3.688 5.217 . 0 0 "[ . 1]" 1
67 1 12 PHE QB 1 69 LEU MD2 3.500 2.300 5.500 2.244 1.888 2.843 0.412 2 0 "[ . 1]" 1
68 1 9 ILE HA 1 69 LEU MD2 4.000 . 6.000 3.040 2.491 3.638 . 0 0 "[ . 1]" 1
69 1 69 LEU MD2 1 70 THR H 4.000 . 6.000 4.575 3.925 4.977 . 0 0 "[ . 1]" 1
70 1 69 LEU H 1 69 LEU MD2 4.000 . 6.000 4.187 3.821 4.321 . 0 0 "[ . 1]" 1
71 1 12 PHE HD2 1 69 LEU MD2 3.000 . 4.500 2.493 2.097 3.049 . 0 0 "[ . 1]" 1
72 1 9 ILE MG 1 69 LEU MD2 3.500 . 6.000 3.465 2.511 3.919 . 0 0 "[ . 1]" 1
73 1 4 LEU MD2 1 69 LEU MD1 4.000 . 6.000 3.804 3.195 4.267 . 0 0 "[ . 1]" 1
74 1 4 LEU MD2 1 69 LEU MD2 4.000 . 6.000 2.578 2.079 3.546 . 0 0 "[ . 1]" 1
75 1 9 ILE MG 1 13 LYS H 4.000 . 6.000 4.263 4.015 4.446 . 0 0 "[ . 1]" 1
76 1 66 PRO HA 1 69 LEU QB 3.500 2.300 5.000 3.362 2.812 3.710 . 0 0 "[ . 1]" 1
77 1 65 PHE HE1 1 69 LEU MD1 3.500 . 5.500 3.195 2.037 4.544 . 0 0 "[ . 1]" 1
78 1 65 PHE HZ 1 69 LEU MD1 3.500 . 5.500 3.419 2.229 4.625 . 0 0 "[ . 1]" 1
79 1 66 PRO HA 1 69 LEU MD1 3.500 . 5.500 3.474 2.384 4.386 . 0 0 "[ . 1]" 1
80 1 65 PHE HD2 1 69 LEU MD1 4.000 2.300 6.000 4.689 2.865 5.013 . 0 0 "[ . 1]" 1
81 1 69 LEU MD1 1 70 THR H 4.500 2.300 6.500 4.401 3.684 4.803 . 0 0 "[ . 1]" 1
82 1 69 LEU H 1 69 LEU MD1 4.000 . 6.000 3.211 1.762 4.149 0.038 3 0 "[ . 1]" 1
83 1 9 ILE MG 1 69 LEU MD1 3.500 . 6.000 3.010 2.225 3.801 . 0 0 "[ . 1]" 1
84 1 9 ILE MG 1 65 PHE HZ 4.000 . 6.000 3.928 2.713 5.116 . 0 0 "[ . 1]" 1
85 1 9 ILE MG 1 12 PHE HD2 4.000 . 6.000 4.410 4.089 4.830 . 0 0 "[ . 1]" 1
86 1 13 LYS HA 1 65 PHE HZ 4.000 . 5.000 3.655 2.200 5.052 0.052 3 0 "[ . 1]" 1
87 1 13 LYS HA 1 65 PHE HE1 3.000 . 4.000 3.144 2.303 3.841 . 0 0 "[ . 1]" 1
88 1 13 LYS H 1 65 PHE HZ 4.000 . 5.000 4.784 4.223 5.239 0.239 5 0 "[ . 1]" 1
89 1 128 ALA MB 1 144 MET H 5.000 2.800 7.000 5.669 5.221 5.793 . 0 0 "[ . 1]" 1
90 1 52 ILE MG 1 62 THR HA 4.000 . 6.000 4.391 3.363 5.058 . 0 0 "[ . 1]" 1
91 1 52 ILE MD 1 62 THR HA 4.000 . 6.000 4.470 2.683 5.394 . 0 0 "[ . 1]" 1
92 1 28 THR HA 1 62 THR MG 3.000 . 5.000 3.711 3.116 4.062 . 0 0 "[ . 1]" 1
93 1 28 THR HB 1 62 THR MG 4.000 . 6.000 3.998 3.238 4.902 . 0 0 "[ . 1]" 1
94 1 28 THR HB 1 30 LYS H 3.500 . 4.500 3.174 2.621 3.996 . 0 0 "[ . 1]" 1
95 1 28 THR H 1 28 THR HB 4.000 . 5.000 3.608 3.132 3.741 . 0 0 "[ . 1]" 1
96 1 28 THR HB 1 31 GLU H 4.000 . 5.000 4.074 3.635 4.759 . 0 0 "[ . 1]" 1
97 1 29 THR MG 1 52 ILE MD 3.000 . 5.000 2.845 1.795 3.281 0.005 1 0 "[ . 1]" 1
98 1 29 THR HA 1 52 ILE MD 3.500 2.300 5.500 2.447 1.955 3.194 0.345 7 0 "[ . 1]" 1
99 1 29 THR H 1 52 ILE MD 4.000 . 6.000 3.058 2.260 3.749 . 0 0 "[ . 1]" 1
100 1 28 THR HA 1 52 ILE MD 4.000 . 6.000 3.231 2.325 4.254 . 0 0 "[ . 1]" 1
101 1 16 PHE HZ 1 26 THR HA 4.000 . 5.500 2.853 2.205 3.306 . 0 0 "[ . 1]" 1
102 1 16 PHE HE1 1 26 THR HA 4.000 . 5.500 3.990 3.107 4.821 . 0 0 "[ . 1]" 1
103 1 86 ARG HA 1 89 PHE QD 4.000 . 5.000 4.481 3.347 4.856 . 0 0 "[ . 1]" 1
104 1 86 ARG HA 1 138 TYR HD1 4.000 . 5.000 4.312 3.447 4.843 . 0 0 "[ . 1]" 1
105 1 86 ARG HA 1 138 TYR HE1 3.000 . 4.000 3.015 2.417 3.716 . 0 0 "[ . 1]" 1
106 1 16 PHE HZ 1 25 GLY HA3 5.000 2.800 6.000 5.322 4.390 6.021 0.021 6 0 "[ . 1]" 1
107 1 16 PHE HZ 1 65 PHE H 4.000 . 5.500 4.686 3.520 5.527 0.027 1 0 "[ . 1]" 1
108 1 16 PHE HE1 1 65 PHE H 4.000 . 5.500 4.826 4.154 5.594 0.094 6 0 "[ . 1]" 1
109 1 16 PHE HZ 1 26 THR H 4.500 2.300 5.500 4.318 3.276 5.141 . 0 0 "[ . 1]" 1
110 1 16 PHE HZ 1 27 ILE H 4.500 2.300 5.500 3.478 3.050 4.286 . 0 0 "[ . 1]" 1
111 1 65 PHE H 1 65 PHE HD1 4.000 . 5.500 4.909 3.362 5.257 . 0 0 "[ . 1]" 1
112 1 12 PHE HA 1 15 ALA H 4.000 . 5.000 3.313 3.132 3.499 . 0 0 "[ . 1]" 1
113 1 9 ILE HA 1 12 PHE HD2 4.000 . 5.000 2.628 2.340 3.099 . 0 0 "[ . 1]" 1
114 1 9 ILE HA 1 12 PHE QB 4.000 . 5.000 2.824 2.596 3.378 . 0 0 "[ . 1]" 1
115 1 63 ILE MG 1 68 PHE HD1 3.500 2.300 5.000 2.641 2.119 3.118 0.181 2 0 "[ . 1]" 1
116 1 63 ILE MG 1 68 PHE QB 4.000 . 6.000 2.415 1.898 2.936 . 0 0 "[ . 1]" 1
117 1 63 ILE MG 1 68 PHE HA 3.000 . 4.500 3.177 2.609 3.818 . 0 0 "[ . 1]" 1
118 1 63 ILE MG 1 68 PHE H 4.000 . 6.000 3.671 2.935 4.183 . 0 0 "[ . 1]" 1
119 1 89 PHE HZ 1 138 TYR H 4.000 . 5.000 3.698 2.753 4.118 . 0 0 "[ . 1]" 1
120 1 89 PHE QE 1 98 GLY HA3 4.000 . 5.000 3.566 2.970 3.860 . 0 0 "[ . 1]" 1
121 1 89 PHE QE 1 98 GLY H 4.000 . 5.000 3.726 3.251 4.383 . 0 0 "[ . 1]" 1
122 1 89 PHE HZ 1 137 ASN HA 3.500 3.500 6.000 3.576 3.320 3.793 0.180 1 0 "[ . 1]" 1
123 1 89 PHE QE 1 137 ASN HA 3.500 3.500 6.000 4.304 3.748 4.560 . 0 0 "[ . 1]" 1
124 1 85 ILE MG 1 138 TYR HE1 3.500 2.300 5.500 3.093 2.632 4.425 . 0 0 "[ . 1]" 1
125 1 85 ILE MG 1 141 PHE HE2 3.500 2.300 5.500 3.511 2.888 4.483 . 0 0 "[ . 1]" 1
126 1 85 ILE MG 1 141 PHE HD2 3.000 . 5.000 2.314 1.923 3.067 . 0 0 "[ . 1]" 1
127 1 85 ILE HA 1 141 PHE HE2 4.000 . 5.000 4.185 3.358 5.029 0.029 9 0 "[ . 1]" 1
128 1 86 ARG H 1 138 TYR HE1 4.000 . 5.500 4.750 4.058 5.229 . 0 0 "[ . 1]" 1
129 1 94 LYS H 1 108 VAL MG2 4.000 . 6.000 4.381 3.785 5.037 . 0 0 "[ . 1]" 1
130 1 89 PHE HA 1 92 PHE HD2 3.000 . 4.000 3.143 2.199 4.034 0.034 10 0 "[ . 1]" 1
131 1 89 PHE HA 1 89 PHE QD 2.500 . 3.000 2.995 2.626 3.099 0.099 10 0 "[ . 1]" 1
132 1 89 PHE H 1 141 PHE HE2 4.000 . 5.000 4.757 4.305 5.038 0.038 3 0 "[ . 1]" 1
133 1 89 PHE HA 1 141 PHE HZ 3.000 . 4.000 4.028 3.851 4.100 0.100 1 0 "[ . 1]" 1
134 1 125 ILE MG 1 128 ALA H 5.000 . 7.000 4.596 4.190 5.043 . 0 0 "[ . 1]" 1
135 1 132 GLY H 1 134 GLY H 5.000 . 6.000 4.473 4.294 4.719 . 0 0 "[ . 1]" 1
136 1 134 GLY H 1 135 GLN HA 5.000 . 6.000 4.890 4.743 5.129 . 0 0 "[ . 1]" 1
137 1 134 GLY H 1 135 GLN QB 5.000 . 7.000 4.933 4.586 5.285 . 0 0 "[ . 1]" 1
138 1 100 ILE H 1 136 VAL H 3.000 . 3.500 3.179 2.679 3.572 0.072 1 0 "[ . 1]" 1
139 1 100 ILE HB 1 136 VAL H 4.000 . 5.500 3.905 2.992 4.724 . 0 0 "[ . 1]" 1
140 1 125 ILE MG 1 134 GLY H 4.000 . 6.000 3.854 3.173 4.393 . 0 0 "[ . 1]" 1
141 1 125 ILE MG 1 135 GLN H 4.000 . 6.000 3.724 2.896 4.315 . 0 0 "[ . 1]" 1
142 1 102 ALA H 1 125 ILE MD 4.000 . 6.000 3.245 2.356 3.738 . 0 0 "[ . 1]" 1
143 1 125 ILE MD 1 136 VAL H 5.000 . 7.000 4.181 2.572 5.165 . 0 0 "[ . 1]" 1
144 1 102 ALA HA 1 125 ILE MD 3.000 . 4.500 2.271 1.924 2.638 . 0 0 "[ . 1]" 1
145 1 101 SER HA 1 125 ILE MD 4.000 . 6.000 4.131 2.838 4.636 . 0 0 "[ . 1]" 1
146 1 136 VAL H 1 137 ASN H 5.000 2.800 6.000 4.281 3.995 4.498 . 0 0 "[ . 1]" 1
147 1 136 VAL MG1 1 137 ASN H 3.500 . 5.000 2.697 2.054 3.372 . 0 0 "[ . 1]" 1
148 1 136 VAL MG2 1 137 ASN H 4.000 . 6.000 4.012 3.700 4.378 . 0 0 "[ . 1]" 1
149 1 137 ASN H 1 140 GLU QB 4.000 . 6.000 2.602 2.126 3.002 . 0 0 "[ . 1]" 1
150 1 100 ILE H 1 135 GLN QB 4.000 . 5.500 3.961 3.014 5.087 . 0 0 "[ . 1]" 1
151 1 100 ILE H 1 136 VAL HB 4.000 . 5.500 3.709 2.972 4.175 . 0 0 "[ . 1]" 1
152 1 100 ILE H 1 137 ASN HA 4.500 . 5.500 3.872 3.524 4.382 . 0 0 "[ . 1]" 1
153 1 136 VAL MG1 1 141 PHE H 3.000 . 5.000 3.262 3.077 3.441 . 0 0 "[ . 1]" 1
154 1 141 PHE H 1 141 PHE HD1 4.000 . 5.000 2.953 2.418 3.502 . 0 0 "[ . 1]" 1
155 1 141 PHE H 1 143 GLN H 5.000 . 6.000 4.110 3.897 4.442 . 0 0 "[ . 1]" 1
156 1 139 GLU H 1 141 PHE H 5.000 . 6.000 4.132 4.055 4.216 . 0 0 "[ . 1]" 1
157 1 140 GLU H 1 141 PHE H 3.000 . 3.500 2.652 2.621 2.705 . 0 0 "[ . 1]" 1
158 1 136 VAL HA 1 140 GLU H 5.000 . 6.000 5.217 4.960 5.456 . 0 0 "[ . 1]" 1
159 1 89 PHE QD 1 93 ASP H 4.500 4.500 6.500 4.437 4.113 5.320 0.387 8 0 "[ . 1]" 1
160 1 86 ARG HA 1 89 PHE QB 3.500 . 4.500 2.746 2.194 3.103 . 0 0 "[ . 1]" 1
161 1 89 PHE HZ 1 99 TYR H 4.000 . 5.000 4.173 3.463 5.043 0.043 1 0 "[ . 1]" 1
162 1 99 TYR H 1 99 TYR HD2 4.000 . 5.000 3.911 3.203 5.424 0.424 1 0 "[ . 1]" 1
163 1 89 PHE QE 1 138 TYR QB 4.000 . 5.500 3.938 2.805 4.610 . 0 0 "[ . 1]" 1
164 1 89 PHE QD 1 138 TYR HA 3.000 . 4.000 3.985 3.654 4.119 0.119 10 0 "[ . 1]" 1
165 1 89 PHE QE 1 138 TYR HA 3.000 . 4.000 3.231 2.632 3.670 . 0 0 "[ . 1]" 1
166 1 89 PHE HZ 1 138 TYR HA 3.000 . 4.000 3.860 3.412 4.276 0.276 2 0 "[ . 1]" 1
167 1 89 PHE H 1 89 PHE QD 3.500 . 4.500 4.172 4.152 4.189 . 0 0 "[ . 1]" 1
168 1 89 PHE QD 1 90 ARG H 4.000 . 5.000 3.136 2.613 3.606 . 0 0 "[ . 1]" 1
169 1 89 PHE QD 1 90 ARG HA 4.000 . 5.000 2.819 2.417 3.620 . 0 0 "[ . 1]" 1
170 1 89 PHE QE 1 90 ARG HA 4.000 . 5.000 4.229 3.789 4.471 . 0 0 "[ . 1]" 1
171 1 89 PHE QE 1 100 ILE H 4.000 . 5.000 4.078 3.689 4.626 . 0 0 "[ . 1]" 1
172 1 102 ALA MB 1 125 ILE MD 2.500 . 5.000 2.456 1.974 3.147 . 0 0 "[ . 1]" 1
173 1 102 ALA HA 1 121 VAL MG1 2.500 . 4.500 3.120 2.851 3.365 . 0 0 "[ . 1]" 1
174 1 102 ALA MB 1 121 VAL MG1 2.500 . 5.000 2.698 2.357 3.119 . 0 0 "[ . 1]" 1
175 1 105 LEU MD2 1 125 ILE MD 3.000 . 5.500 2.639 1.913 3.483 . 0 0 "[ . 1]" 1
176 1 125 ILE MD 1 136 VAL MG2 4.000 . 7.000 3.019 2.635 3.661 . 0 0 "[ . 1]" 1
177 1 105 LEU HB3 1 125 ILE MD 3.000 . 4.500 3.068 2.422 3.596 . 0 0 "[ . 1]" 1
178 1 105 LEU H 1 125 ILE MD 4.000 . 6.000 4.544 4.186 4.985 . 0 0 "[ . 1]" 1
179 1 100 ILE MD 1 141 PHE HD1 4.000 . 6.000 4.602 4.240 4.891 . 0 0 "[ . 1]" 1
180 1 92 PHE HD2 1 100 ILE MD 3.000 . 5.000 3.935 3.606 4.273 . 0 0 "[ . 1]" 1
181 1 100 ILE MD 1 141 PHE HE1 4.000 . 6.000 3.407 2.844 4.180 . 0 0 "[ . 1]" 1
182 1 92 PHE H 1 100 ILE MD 4.000 . 6.000 3.974 3.567 4.696 . 0 0 "[ . 1]" 1
183 1 93 ASP H 1 100 ILE MD 4.000 . 6.000 3.402 2.603 4.091 . 0 0 "[ . 1]" 1
184 1 92 PHE HD2 1 93 ASP H 4.000 . 5.500 4.523 4.155 4.926 . 0 0 "[ . 1]" 1
185 1 92 PHE H 1 92 PHE HD2 3.000 . 3.500 2.793 1.944 3.366 . 0 0 "[ . 1]" 1
186 1 100 ILE MD 1 136 VAL MG1 5.000 . 8.000 4.015 2.794 5.074 . 0 0 "[ . 1]" 1
187 1 92 PHE HD1 1 105 LEU HA 3.500 2.300 4.500 4.113 3.245 4.562 0.062 2 0 "[ . 1]" 1
188 1 105 LEU HA 1 108 VAL MG2 3.000 . 5.000 3.976 3.696 4.081 . 0 0 "[ . 1]" 1
189 1 52 ILE MG 1 61 GLY H 4.500 2.300 6.500 4.504 3.897 5.023 . 0 0 "[ . 1]" 1
190 1 52 ILE MG 1 62 THR H 4.500 2.300 6.500 4.720 3.745 5.422 . 0 0 "[ . 1]" 1
191 1 52 ILE MG 1 56 ASP QB 3.000 . 5.000 2.474 2.041 3.100 . 0 0 "[ . 1]" 1
192 1 105 LEU H 1 121 VAL MG1 4.000 . 6.000 5.022 4.842 5.104 . 0 0 "[ . 1]" 1
193 1 106 ARG H 1 121 VAL MG1 3.000 . 4.500 3.431 3.229 3.590 . 0 0 "[ . 1]" 1
194 1 106 ARG HA 1 121 VAL MG2 3.000 . 4.500 3.397 3.104 3.570 . 0 0 "[ . 1]" 1
195 1 89 PHE HA 1 100 ILE MD 4.000 . 6.000 3.421 2.838 4.096 . 0 0 "[ . 1]" 1
196 1 100 ILE H 1 100 ILE MG 4.000 . 6.000 3.756 3.283 3.886 . 0 0 "[ . 1]" 1
197 1 100 ILE MG 1 101 SER H 3.500 2.300 5.500 3.051 2.565 3.558 . 0 0 "[ . 1]" 1
198 1 92 PHE QB 1 100 ILE MG 4.000 . 6.000 2.923 2.180 3.614 . 0 0 "[ . 1]" 1
199 1 100 ILE MG 1 105 LEU HA 4.000 . 6.000 3.062 2.633 3.614 . 0 0 "[ . 1]" 1
200 1 100 ILE MG 1 105 LEU H 4.000 . 6.000 2.838 2.309 3.685 . 0 0 "[ . 1]" 1
201 1 92 PHE QB 1 100 ILE MD 3.000 . 5.000 2.169 1.885 2.748 . 0 0 "[ . 1]" 1
202 1 27 ILE H 1 63 ILE MG 4.000 . 6.000 3.350 2.850 3.850 . 0 0 "[ . 1]" 1
203 1 44 THR H 1 47 GLU QB 4.000 . 5.500 2.256 1.899 2.818 . 0 0 "[ . 1]" 1
204 1 66 PRO HA 1 68 PHE H 4.000 . 5.000 4.213 3.698 4.819 . 0 0 "[ . 1]" 1
205 1 66 PRO HA 1 69 LEU H 4.000 . 5.000 3.805 3.320 4.195 . 0 0 "[ . 1]" 1
206 1 32 LEU HA 1 35 VAL HB 4.000 . 5.000 3.172 2.903 3.495 . 0 0 "[ . 1]" 1
207 1 4 LEU HA 1 5 THR H 4.000 . 5.000 2.176 2.152 2.357 . 0 0 "[ . 1]" 1
208 1 7 GLU HA 1 8 GLN H 4.000 . 5.000 3.515 3.481 3.575 . 0 0 "[ . 1]" 1
209 1 9 ILE HA 1 10 ALA H 4.000 . 5.000 3.499 3.464 3.522 . 0 0 "[ . 1]" 1
210 1 9 ILE HA 1 12 PHE H 4.000 . 5.000 3.816 3.627 4.023 . 0 0 "[ . 1]" 1
211 1 8 GLN HA 1 12 PHE H 4.000 . 5.000 4.280 4.144 4.610 . 0 0 "[ . 1]" 1
212 1 5 THR H 1 9 ILE MD 4.000 . 6.000 4.479 4.092 4.971 . 0 0 "[ . 1]" 1
213 1 6 GLU H 1 9 ILE MD 4.000 . 6.000 3.609 3.007 4.015 . 0 0 "[ . 1]" 1
214 1 9 ILE MD 1 10 ALA H 4.000 . 6.000 4.627 4.420 4.768 . 0 0 "[ . 1]" 1
215 1 10 ALA HA 1 11 GLU H 4.000 . 5.000 3.575 3.570 3.577 . 0 0 "[ . 1]" 1
216 1 10 ALA HA 1 13 LYS H 4.000 . 5.000 3.370 3.247 3.470 . 0 0 "[ . 1]" 1
217 1 11 GLU HA 1 12 PHE H 4.000 . 5.000 3.528 3.488 3.575 . 0 0 "[ . 1]" 1
218 1 12 PHE HA 1 13 LYS H 4.000 . 5.000 3.560 3.548 3.568 . 0 0 "[ . 1]" 1
219 1 12 PHE QB 1 13 LYS H 4.000 . 5.500 2.542 2.359 2.633 . 0 0 "[ . 1]" 1
220 1 13 LYS HA 1 14 GLU H 4.000 . 5.000 3.520 3.478 3.545 . 0 0 "[ . 1]" 1
221 1 13 LYS HA 1 16 PHE H 4.000 . 5.000 3.627 3.436 3.816 . 0 0 "[ . 1]" 1
222 1 13 LYS HA 1 17 SER H 4.000 . 5.000 4.654 4.327 4.937 . 0 0 "[ . 1]" 1
223 1 15 ALA HA 1 16 PHE H 4.000 . 5.000 3.556 3.485 3.576 . 0 0 "[ . 1]" 1
224 1 18 LEU HA 1 19 PHE H 4.000 . 5.000 3.530 3.493 3.558 . 0 0 "[ . 1]" 1
225 1 19 PHE HA 1 20 ASP H 4.000 . 5.000 3.568 3.566 3.570 . 0 0 "[ . 1]" 1
226 1 29 THR HA 1 33 GLY H 4.000 . 5.000 3.742 3.516 4.073 . 0 0 "[ . 1]" 1
227 1 30 LYS HA 1 31 GLU H 4.000 . 5.000 3.516 3.495 3.535 . 0 0 "[ . 1]" 1
228 1 30 LYS QB 1 31 GLU H 4.000 . 5.500 2.788 2.596 3.472 . 0 0 "[ . 1]" 1
229 1 32 LEU HA 1 33 GLY H 4.000 . 5.000 3.568 3.495 3.577 . 0 0 "[ . 1]" 1
230 1 32 LEU HA 1 36 MET H 4.000 . 5.000 4.595 4.257 4.907 . 0 0 "[ . 1]" 1
231 1 35 VAL HB 1 36 MET H 3.000 . 3.500 2.481 2.255 2.696 . 0 0 "[ . 1]" 1
232 1 36 MET HA 1 37 ARG H 4.000 . 5.000 3.494 3.452 3.571 . 0 0 "[ . 1]" 1
233 1 39 LEU HA 1 40 GLY H 4.000 . 5.000 3.144 3.116 3.228 . 0 0 "[ . 1]" 1
234 1 40 GLY QA 1 41 GLN H 4.000 . 6.000 2.860 2.819 2.923 . 0 0 "[ . 1]" 1
235 1 41 GLN HA 1 42 ASN H 2.500 . 3.000 2.282 2.243 2.319 . 0 0 "[ . 1]" 1
236 1 44 THR HA 1 46 ALA H 4.000 . 5.000 4.233 3.803 4.620 . 0 0 "[ . 1]" 1
237 1 48 LEU HA 1 49 GLN H 4.000 . 5.000 3.548 3.441 3.573 . 0 0 "[ . 1]" 1
238 1 49 GLN HA 1 50 ASP H 4.000 . 5.000 3.557 3.519 3.570 . 0 0 "[ . 1]" 1
239 1 53 ASN HA 1 54 GLU H 4.000 . 5.000 3.556 3.531 3.568 . 0 0 "[ . 1]" 1
240 1 58 ASP H 1 59 GLY QA 4.000 . 6.000 4.273 4.051 4.370 . 0 0 "[ . 1]" 1
241 1 59 GLY QA 1 60 ASP H 4.000 . 6.000 2.759 2.632 2.883 . 0 0 "[ . 1]" 1
242 1 59 GLY QA 1 61 GLY H 4.000 . 6.000 3.111 2.840 3.343 . 0 0 "[ . 1]" 1
243 1 60 ASP H 1 61 GLY QA 4.000 . 6.000 4.418 4.259 4.630 . 0 0 "[ . 1]" 1
244 1 78 ASP QB 1 79 THR H 4.000 . 4.000 2.163 1.732 2.710 0.068 3 0 "[ . 1]" 1
245 1 86 ARG HA 1 87 GLU H 4.000 . 5.000 3.571 3.568 3.574 . 0 0 "[ . 1]" 1
246 1 88 ALA HA 1 89 PHE H 4.000 . 5.000 3.534 3.497 3.564 . 0 0 "[ . 1]" 1
247 1 88 ALA HA 1 91 VAL H 4.000 . 5.000 3.590 3.263 3.842 . 0 0 "[ . 1]" 1
248 1 89 PHE HA 1 91 VAL H 4.000 . 5.000 4.128 3.744 4.760 . 0 0 "[ . 1]" 1
249 1 89 PHE HA 1 92 PHE H 4.000 . 5.000 3.789 3.498 4.085 . 0 0 "[ . 1]" 1
250 1 93 ASP HA 1 94 LYS H 2.500 . 2.900 2.471 2.444 2.480 . 0 0 "[ . 1]" 1
251 1 100 ILE HA 1 101 SER H 2.500 . 3.000 2.164 2.149 2.208 . 0 0 "[ . 1]" 1
252 1 102 ALA HA 1 103 ALA H 4.000 . 5.000 3.461 3.433 3.535 . 0 0 "[ . 1]" 1
253 1 104 GLU HA 1 105 LEU H 4.000 . 5.000 3.554 3.469 3.573 . 0 0 "[ . 1]" 1
254 1 106 ARG HA 1 107 HIS H 4.000 . 5.000 3.464 3.407 3.547 . 0 0 "[ . 1]" 1
255 1 107 HIS HA 1 108 VAL H 4.000 . 5.000 3.553 3.528 3.572 . 0 0 "[ . 1]" 1
256 1 108 VAL HA 1 112 LEU H 4.000 . 5.000 4.606 3.836 4.998 . 0 0 "[ . 1]" 1
257 1 109 MET HA 1 110 THR H 4.000 . 5.000 3.433 3.392 3.518 . 0 0 "[ . 1]" 1
258 1 111 ASN HA 1 112 LEU H 4.000 . 5.000 3.399 3.360 3.457 . 0 0 "[ . 1]" 1
259 1 117 THR HA 1 119 GLU H 4.000 . 5.000 4.183 3.950 4.657 . 0 0 "[ . 1]" 1
260 1 118 ASP HA 1 119 GLU H 4.000 . 5.000 3.524 3.472 3.574 . 0 0 "[ . 1]" 1
261 1 118 ASP QB 1 119 GLU H 4.000 . 5.500 2.782 2.184 3.353 . 0 0 "[ . 1]" 1
262 1 121 VAL HA 1 122 ASP H 4.000 . 5.000 3.549 3.491 3.575 . 0 0 "[ . 1]" 1
263 1 122 ASP HA 1 123 GLU H 4.000 . 5.000 3.547 3.454 3.573 . 0 0 "[ . 1]" 1
264 1 122 ASP HA 1 124 MET H 4.000 . 5.000 4.567 4.143 4.862 . 0 0 "[ . 1]" 1
265 1 122 ASP HA 1 125 ILE H 4.000 . 5.000 3.792 3.283 4.118 . 0 0 "[ . 1]" 1
266 1 124 MET HA 1 125 ILE H 4.000 . 5.000 3.573 3.564 3.576 . 0 0 "[ . 1]" 1
267 1 125 ILE HA 1 129 ASP H 4.000 . 5.000 3.901 3.415 4.434 . 0 0 "[ . 1]" 1
268 1 127 GLU HA 1 129 ASP H 4.000 . 5.000 4.069 3.615 4.630 . 0 0 "[ . 1]" 1
269 1 141 PHE HA 1 142 VAL H 4.000 . 5.000 3.549 3.501 3.576 . 0 0 "[ . 1]" 1
270 1 142 VAL HA 1 143 GLN H 4.000 . 5.000 3.507 3.447 3.567 . 0 0 "[ . 1]" 1
271 1 143 GLN HA 1 144 MET H 4.000 . 5.000 3.561 3.502 3.576 . 0 0 "[ . 1]" 1
272 1 147 ALA HA 1 148 LYS H 4.000 . 5.000 2.194 2.153 2.251 . 0 0 "[ . 1]" 1
273 1 81 SER HA 1 82 GLU H 3.500 2.300 4.000 2.176 2.147 2.273 0.153 6 0 "[ . 1]" 1
274 1 81 SER H 1 82 GLU H 4.000 . 5.000 4.396 4.234 4.541 . 0 0 "[ . 1]" 1
275 1 82 GLU HA 1 85 ILE H 4.000 . 5.000 3.295 2.871 3.626 . 0 0 "[ . 1]" 1
276 1 82 GLU HA 1 85 ILE HB 4.000 . 5.000 2.684 2.201 4.755 . 0 0 "[ . 1]" 1
277 1 85 ILE MG 1 86 ARG H 4.000 . 6.000 3.633 3.282 4.089 . 0 0 "[ . 1]" 1
278 1 85 ILE H 1 86 ARG H 3.000 . 3.500 2.663 2.343 2.850 . 0 0 "[ . 1]" 1
279 1 86 ARG H 1 87 GLU H 3.000 . 3.500 2.566 2.505 2.714 . 0 0 "[ . 1]" 1
280 1 85 ILE HA 1 86 ARG H 3.000 . 3.500 3.472 3.439 3.521 0.021 10 0 "[ . 1]" 1
281 1 86 ARG H 1 86 ARG QB 3.000 . 4.000 2.362 2.159 2.938 . 0 0 "[ . 1]" 1
282 1 87 GLU H 1 88 ALA H 3.000 . 3.500 2.834 2.676 2.975 . 0 0 "[ . 1]" 1
283 1 87 GLU H 1 88 ALA MB 4.000 . 6.000 4.400 4.214 4.501 . 0 0 "[ . 1]" 1
284 1 87 GLU H 1 87 GLU HA 3.000 . 3.500 2.810 2.777 2.847 . 0 0 "[ . 1]" 1
285 1 87 GLU HA 1 90 ARG H 4.000 . 5.000 3.574 3.248 3.888 . 0 0 "[ . 1]" 1
286 1 87 GLU HA 1 91 VAL H 4.000 . 5.500 4.075 3.582 4.462 . 0 0 "[ . 1]" 1
287 1 87 GLU H 1 87 GLU QB 3.000 . 4.000 2.223 2.044 2.579 . 0 0 "[ . 1]" 1
288 1 87 GLU H 1 87 GLU QG 3.000 . 4.000 3.148 1.776 3.965 0.024 3 0 "[ . 1]" 1
289 1 88 ALA H 1 89 PHE H 3.000 . 3.500 2.766 2.468 2.954 . 0 0 "[ . 1]" 1
290 1 88 ALA H 1 88 ALA HA 3.000 . 3.500 2.782 2.726 2.887 . 0 0 "[ . 1]" 1
291 1 88 ALA H 1 88 ALA MB 3.000 . 4.500 2.203 2.077 2.260 . 0 0 "[ . 1]" 1
292 1 88 ALA MB 1 89 PHE H 4.000 . 5.500 2.575 2.393 2.783 . 0 0 "[ . 1]" 1
293 1 88 ALA MB 1 89 PHE HA 4.000 . 6.000 3.815 3.676 3.875 . 0 0 "[ . 1]" 1
294 1 89 PHE H 1 90 ARG H 3.000 . 3.500 2.662 2.536 2.838 . 0 0 "[ . 1]" 1
295 1 89 PHE H 1 91 VAL H 4.000 . 5.000 3.843 3.461 4.302 . 0 0 "[ . 1]" 1
296 1 89 PHE H 1 89 PHE HA 3.000 . 3.500 2.849 2.790 2.888 . 0 0 "[ . 1]" 1
297 1 89 PHE HA 1 93 ASP H 5.000 2.800 6.000 4.715 4.413 4.988 . 0 0 "[ . 1]" 1
298 1 89 PHE QB 1 90 ARG H 4.000 . 5.500 2.439 2.044 2.884 . 0 0 "[ . 1]" 1
299 1 89 PHE H 1 89 PHE QB 3.000 . 4.000 2.261 2.232 2.281 . 0 0 "[ . 1]" 1
300 1 90 ARG H 1 91 VAL H 3.000 . 3.500 2.572 2.392 2.753 . 0 0 "[ . 1]" 1
301 1 89 PHE HA 1 90 ARG H 4.000 . 5.000 3.543 3.477 3.574 . 0 0 "[ . 1]" 1
302 1 90 ARG HA 1 91 VAL H 4.000 . 5.000 3.464 3.423 3.557 . 0 0 "[ . 1]" 1
303 1 90 ARG HA 1 93 ASP H 4.000 . 5.500 3.077 2.921 3.529 . 0 0 "[ . 1]" 1
304 1 90 ARG H 1 90 ARG QB 3.000 . 4.000 2.241 2.121 2.370 . 0 0 "[ . 1]" 1
305 1 90 ARG QB 1 91 VAL H 4.000 . 5.500 3.016 2.472 3.624 . 0 0 "[ . 1]" 1
306 1 90 ARG H 1 90 ARG QD 4.000 . 5.500 3.894 2.205 4.900 . 0 0 "[ . 1]" 1
307 1 91 VAL H 1 92 PHE H 3.000 . 3.500 2.611 2.437 2.775 . 0 0 "[ . 1]" 1
308 1 91 VAL H 1 93 ASP H 4.000 . 5.000 4.135 3.743 4.410 . 0 0 "[ . 1]" 1
309 1 91 VAL H 1 91 VAL HA 3.000 . 3.500 2.823 2.759 2.882 . 0 0 "[ . 1]" 1
310 1 91 VAL HA 1 92 PHE H 4.000 . 5.000 3.458 3.414 3.530 . 0 0 "[ . 1]" 1
311 1 91 VAL H 1 91 VAL HB 3.000 . 3.500 2.345 2.247 2.575 . 0 0 "[ . 1]" 1
312 1 91 VAL HB 1 92 PHE H 3.000 . 3.500 3.075 2.821 3.212 . 0 0 "[ . 1]" 1
313 1 91 VAL H 1 91 VAL MG2 3.000 . 4.500 2.466 1.916 2.701 . 0 0 "[ . 1]" 1
314 1 91 VAL H 1 91 VAL MG1 4.000 . 6.000 3.702 3.660 3.748 . 0 0 "[ . 1]" 1
315 1 92 PHE H 1 93 ASP H 2.500 . 2.900 2.255 2.173 2.398 . 0 0 "[ . 1]" 1
316 1 92 PHE H 1 92 PHE HA 3.000 . 3.500 2.932 2.925 2.934 . 0 0 "[ . 1]" 1
317 1 92 PHE HA 1 93 ASP H 4.000 . 5.000 3.512 3.395 3.572 . 0 0 "[ . 1]" 1
318 1 90 ARG HA 1 92 PHE H 4.000 . 5.000 3.730 3.482 4.016 . 0 0 "[ . 1]" 1
319 1 92 PHE H 1 92 PHE QB 3.000 . 4.000 2.305 2.206 2.362 . 0 0 "[ . 1]" 1
320 1 92 PHE QB 1 93 ASP H 3.000 . 4.500 2.706 2.319 3.139 . 0 0 "[ . 1]" 1
321 1 92 PHE HA 1 94 LYS H 4.000 . 5.000 4.179 4.057 4.364 . 0 0 "[ . 1]" 1
322 1 93 ASP H 1 93 ASP QB 3.000 . 4.000 2.284 2.176 2.438 . 0 0 "[ . 1]" 1
323 1 93 ASP QB 1 94 LYS H 4.000 . 5.500 4.018 3.901 4.070 . 0 0 "[ . 1]" 1
324 1 94 LYS H 1 94 LYS HA 3.000 . 3.500 2.747 2.731 2.756 . 0 0 "[ . 1]" 1
325 1 94 LYS H 1 94 LYS QB 3.000 . 4.500 2.393 2.058 2.816 . 0 0 "[ . 1]" 1
326 1 94 LYS QB 1 95 ASP H 3.500 2.300 5.000 3.170 2.959 3.635 . 0 0 "[ . 1]" 1
327 1 94 LYS H 1 94 LYS QD 4.000 . 5.500 3.980 3.436 4.415 . 0 0 "[ . 1]" 1
328 1 94 LYS H 1 94 LYS QG 3.000 . 4.000 2.484 1.658 3.580 0.142 4 0 "[ . 1]" 1
329 1 94 LYS QG 1 95 ASP H 4.500 2.300 6.000 3.910 2.124 4.740 0.176 3 0 "[ . 1]" 1
330 1 94 LYS H 1 95 ASP H 2.500 . 2.900 2.826 2.803 2.862 . 0 0 "[ . 1]" 1
331 1 95 ASP H 1 96 GLY H 2.500 . 2.900 2.462 2.360 2.508 . 0 0 "[ . 1]" 1
332 1 95 ASP H 1 95 ASP HA 3.000 . 3.500 2.879 2.873 2.901 . 0 0 "[ . 1]" 1
333 1 95 ASP HA 1 96 GLY H 3.000 . 3.700 3.376 3.342 3.397 . 0 0 "[ . 1]" 1
334 1 95 ASP H 1 95 ASP QB 3.000 . 4.000 2.458 2.110 2.896 . 0 0 "[ . 1]" 1
335 1 95 ASP QB 1 96 GLY H 4.000 . 5.500 3.199 3.138 3.348 . 0 0 "[ . 1]" 1
336 1 96 GLY H 1 97 ASN H 2.500 . 2.900 2.690 2.649 2.713 . 0 0 "[ . 1]" 1
337 1 95 ASP H 1 96 GLY QA 4.000 . 5.500 4.366 4.279 4.402 . 0 0 "[ . 1]" 1
338 1 94 LYS HA 1 95 ASP H 3.000 . 4.000 3.446 3.437 3.483 . 0 0 "[ . 1]" 1
339 1 96 GLY QA 1 97 ASN H 3.000 . 4.000 2.879 2.706 2.915 . 0 0 "[ . 1]" 1
340 1 97 ASN H 1 98 GLY H 2.500 . 2.900 2.499 2.263 2.686 . 0 0 "[ . 1]" 1
341 1 97 ASN H 1 97 ASN QB 3.000 . 4.000 2.478 2.196 2.694 . 0 0 "[ . 1]" 1
342 1 96 GLY H 1 98 GLY H 4.000 . 5.000 3.976 3.798 4.310 . 0 0 "[ . 1]" 1
343 1 98 GLY H 1 99 TYR H 2.500 . 2.900 2.559 2.250 2.791 . 0 0 "[ . 1]" 1
344 1 98 GLY QA 1 99 TYR H 3.000 . 4.000 2.874 2.807 2.923 . 0 0 "[ . 1]" 1
345 1 99 TYR H 1 99 TYR HA 3.000 . 3.500 2.940 2.907 2.956 . 0 0 "[ . 1]" 1
346 1 99 TYR HA 1 100 ILE H 2.500 . 2.900 2.204 2.175 2.275 . 0 0 "[ . 1]" 1
347 1 99 TYR H 1 99 TYR QB 3.000 . 4.000 2.861 2.545 3.145 . 0 0 "[ . 1]" 1
348 1 99 TYR QB 1 100 ILE H 4.000 . 5.500 3.010 2.765 3.159 . 0 0 "[ . 1]" 1
349 1 99 TYR H 1 100 ILE H 4.000 . 5.000 4.340 4.220 4.426 . 0 0 "[ . 1]" 1
350 1 100 ILE H 1 100 ILE HB 3.000 . 4.000 2.816 2.453 3.581 . 0 0 "[ . 1]" 1
351 1 101 SER HA 1 102 ALA H 3.000 . 3.500 2.280 2.276 2.285 . 0 0 "[ . 1]" 1
352 1 101 SER QB 1 102 ALA H 3.000 . 4.500 2.974 2.695 3.427 . 0 0 "[ . 1]" 1
353 1 101 SER H 1 102 ALA H 4.000 . 5.000 4.591 4.582 4.599 . 0 0 "[ . 1]" 1
354 1 102 ALA H 1 103 ALA H 3.000 . 3.500 2.832 2.758 2.883 . 0 0 "[ . 1]" 1
355 1 102 ALA H 1 102 ALA MB 3.000 . 4.500 2.163 2.043 2.249 . 0 0 "[ . 1]" 1
356 1 103 ALA H 1 104 GLU H 3.000 . 3.500 2.666 2.343 2.982 . 0 0 "[ . 1]" 1
357 1 103 ALA H 1 103 ALA HA 3.000 . 3.500 2.860 2.778 2.903 . 0 0 "[ . 1]" 1
358 1 102 ALA MB 1 103 ALA H 3.000 . 4.500 2.877 2.577 3.019 . 0 0 "[ . 1]" 1
359 1 104 GLU H 1 104 GLU HA 3.000 . 3.500 2.833 2.763 2.907 . 0 0 "[ . 1]" 1
360 1 104 GLU H 1 104 GLU QB 3.000 . 4.000 2.355 2.098 2.714 . 0 0 "[ . 1]" 1
361 1 104 GLU H 1 104 GLU QG 3.000 . 4.000 2.407 1.723 3.170 0.077 4 0 "[ . 1]" 1
362 1 105 LEU HA 1 108 VAL HB 3.000 . 3.500 3.407 3.180 3.591 0.091 1 0 "[ . 1]" 1
363 1 105 LEU HA 1 106 ARG H 4.000 . 5.000 3.562 3.546 3.569 . 0 0 "[ . 1]" 1
364 1 105 LEU H 1 105 LEU QB 3.000 . 4.000 2.189 2.088 2.266 . 0 0 "[ . 1]" 1
365 1 105 LEU QB 1 106 ARG H 3.000 . 4.000 2.392 2.325 2.522 . 0 0 "[ . 1]" 1
366 1 105 LEU H 1 105 LEU MD1 4.000 . 6.000 3.968 3.806 4.147 . 0 0 "[ . 1]" 1
367 1 105 LEU H 1 105 LEU MD2 4.000 . 6.000 4.006 3.254 4.368 . 0 0 "[ . 1]" 1
368 1 104 GLU H 1 106 ARG H 4.000 . 5.000 4.284 4.018 4.485 . 0 0 "[ . 1]" 1
369 1 105 LEU H 1 106 ARG H 3.000 . 3.500 2.882 2.717 2.951 . 0 0 "[ . 1]" 1
370 1 106 ARG H 1 107 HIS H 3.000 . 3.500 2.554 2.508 2.638 . 0 0 "[ . 1]" 1
371 1 103 ALA HA 1 106 ARG H 4.000 . 5.000 3.919 3.545 4.257 . 0 0 "[ . 1]" 1
372 1 106 ARG HA 1 109 MET H 4.000 . 5.000 3.739 3.494 4.130 . 0 0 "[ . 1]" 1
373 1 106 ARG H 1 106 ARG QB 3.000 . 4.000 2.252 2.210 2.350 . 0 0 "[ . 1]" 1
374 1 106 ARG QB 1 107 HIS H 3.000 . 4.000 2.914 2.557 3.091 . 0 0 "[ . 1]" 1
375 1 106 ARG H 1 106 ARG QD 4.000 . 5.500 4.346 3.615 5.011 . 0 0 "[ . 1]" 1
376 1 106 ARG H 1 106 ARG QG 4.000 . 5.500 3.645 2.324 4.012 . 0 0 "[ . 1]" 1
377 1 107 HIS H 1 108 VAL H 3.000 . 3.500 2.634 2.482 2.849 . 0 0 "[ . 1]" 1
378 1 107 HIS H 1 107 HIS HA 3.000 . 3.500 2.844 2.768 2.892 . 0 0 "[ . 1]" 1
379 1 107 HIS H 1 107 HIS QB 3.000 . 4.000 2.217 2.094 2.293 . 0 0 "[ . 1]" 1
380 1 106 ARG H 1 108 VAL H 4.000 . 5.000 4.401 4.246 4.579 . 0 0 "[ . 1]" 1
381 1 108 VAL H 1 109 MET H 3.000 . 3.500 2.660 2.440 2.895 . 0 0 "[ . 1]" 1
382 1 107 HIS QB 1 108 VAL H 4.000 . 5.500 2.492 2.234 2.669 . 0 0 "[ . 1]" 1
383 1 108 VAL H 1 108 VAL HA 3.000 . 3.500 2.869 2.817 2.896 . 0 0 "[ . 1]" 1
384 1 108 VAL HA 1 109 MET H 4.000 . 5.000 3.558 3.475 3.575 . 0 0 "[ . 1]" 1
385 1 108 VAL HA 1 111 ASN H 4.000 . 5.000 3.510 3.261 3.871 . 0 0 "[ . 1]" 1
386 1 108 VAL H 1 108 VAL HB 3.000 . 3.500 2.351 2.236 2.549 . 0 0 "[ . 1]" 1
387 1 108 VAL H 1 108 VAL MG2 3.000 . 4.500 2.452 2.023 2.726 . 0 0 "[ . 1]" 1
388 1 108 VAL MG2 1 109 MET H 4.000 . 6.000 3.852 3.665 4.005 . 0 0 "[ . 1]" 1
389 1 108 VAL H 1 108 VAL MG1 3.000 . 4.500 3.707 3.640 3.760 . 0 0 "[ . 1]" 1
390 1 108 VAL MG1 1 109 MET H 4.000 . 6.000 2.960 2.511 3.841 . 0 0 "[ . 1]" 1
391 1 109 MET H 1 110 THR H 4.000 . 5.000 2.660 2.417 2.822 . 0 0 "[ . 1]" 1
392 1 108 VAL HB 1 109 MET H 4.000 . 5.000 2.421 2.146 2.949 . 0 0 "[ . 1]" 1
393 1 109 MET H 1 109 MET HA 3.000 . 3.500 2.805 2.747 2.886 . 0 0 "[ . 1]" 1
394 1 109 MET H 1 109 MET QB 3.000 . 4.000 2.332 2.100 2.664 . 0 0 "[ . 1]" 1
395 1 109 MET QB 1 110 THR H 3.000 . 4.000 3.031 2.729 3.134 . 0 0 "[ . 1]" 1
396 1 110 THR H 1 111 ASN H 3.000 . 3.500 2.557 2.408 2.803 . 0 0 "[ . 1]" 1
397 1 110 THR H 1 110 THR HA 3.000 . 3.500 2.874 2.822 2.898 . 0 0 "[ . 1]" 1
398 1 110 THR HA 1 111 ASN H 4.000 . 5.000 3.560 3.539 3.574 . 0 0 "[ . 1]" 1
399 1 110 THR HA 1 114 GLU QB 4.000 . 6.000 5.171 4.758 5.748 . 0 0 "[ . 1]" 1
400 1 110 THR HA 1 113 GLY H 4.000 . 5.000 4.360 4.127 4.549 . 0 0 "[ . 1]" 1
401 1 111 ASN HA 1 113 GLY H 4.000 . 5.000 3.454 3.240 3.684 . 0 0 "[ . 1]" 1
402 1 110 THR H 1 110 THR HB 3.000 . 3.500 2.299 2.233 2.461 . 0 0 "[ . 1]" 1
403 1 110 THR H 1 110 THR MG 4.000 . 6.000 3.678 3.631 3.758 . 0 0 "[ . 1]" 1
404 1 110 THR MG 1 111 ASN H 4.000 . 5.500 3.021 2.764 3.515 . 0 0 "[ . 1]" 1
405 1 111 ASN H 1 112 LEU H 3.000 . 3.500 2.510 2.390 2.649 . 0 0 "[ . 1]" 1
406 1 110 THR HB 1 111 ASN H 4.000 . 5.000 2.585 2.374 2.782 . 0 0 "[ . 1]" 1
407 1 111 ASN H 1 111 ASN HA 3.000 . 3.500 2.863 2.816 2.902 . 0 0 "[ . 1]" 1
408 1 111 ASN H 1 111 ASN QB 3.000 . 4.000 2.243 2.101 2.520 . 0 0 "[ . 1]" 1
409 1 111 ASN QB 1 112 LEU H 3.000 . 4.000 3.193 3.034 3.626 . 0 0 "[ . 1]" 1
410 1 112 LEU H 1 112 LEU HA 3.000 . 3.500 2.772 2.760 2.836 . 0 0 "[ . 1]" 1
411 1 110 THR MG 1 113 GLY H 4.000 . 6.000 4.592 4.277 4.857 . 0 0 "[ . 1]" 1
412 1 112 LEU QB 1 113 GLY H 3.000 . 4.000 2.970 2.795 3.146 . 0 0 "[ . 1]" 1
413 1 112 LEU H 1 112 LEU QB 3.000 . 4.000 2.115 2.043 2.241 . 0 0 "[ . 1]" 1
414 1 109 MET HA 1 112 LEU H 4.000 . 5.000 3.470 3.324 3.669 . 0 0 "[ . 1]" 1
415 1 109 MET HA 1 112 LEU MD2 4.000 . 6.000 2.541 2.032 3.229 . 0 0 "[ . 1]" 1
416 1 110 THR HA 1 112 LEU H 4.000 . 5.000 3.901 3.672 4.280 . 0 0 "[ . 1]" 1
417 1 112 LEU H 1 112 LEU MD1 4.000 . 6.000 3.920 3.040 4.154 . 0 0 "[ . 1]" 1
418 1 112 LEU H 1 112 LEU MD2 4.000 . 6.000 2.716 1.744 4.281 0.056 2 0 "[ . 1]" 1
419 1 113 GLY H 1 114 GLU H 2.500 . 2.900 2.059 1.928 2.169 . 0 0 "[ . 1]" 1
420 1 114 GLU H 1 114 GLU HA 3.000 . 3.500 2.958 2.958 2.959 . 0 0 "[ . 1]" 1
421 1 112 LEU MD1 1 113 GLY H 4.000 . 6.500 4.449 4.064 4.668 . 0 0 "[ . 1]" 1
422 1 112 LEU MD2 1 113 GLY H 4.000 . 6.500 4.481 4.027 5.132 . 0 0 "[ . 1]" 1
423 1 114 GLU H 1 114 GLU QB 3.000 . 4.000 2.564 2.444 2.852 . 0 0 "[ . 1]" 1
424 1 114 GLU H 1 114 GLU QG 4.000 . 5.500 3.524 2.171 4.143 . 0 0 "[ . 1]" 1
425 1 114 GLU HA 1 115 LYS H 2.500 . 3.000 2.165 2.151 2.190 . 0 0 "[ . 1]" 1
426 1 113 GLY QA 1 114 GLU H 4.000 . 5.500 2.919 2.905 2.922 . 0 0 "[ . 1]" 1
427 1 114 GLU H 1 115 LYS H 4.000 . 5.000 4.311 4.201 4.371 . 0 0 "[ . 1]" 1
428 1 115 LYS H 1 116 LEU H 4.000 . 5.000 4.423 4.362 4.448 . 0 0 "[ . 1]" 1
429 1 115 LYS HA 1 116 LEU H 2.500 . 3.000 2.148 2.146 2.155 . 0 0 "[ . 1]" 1
430 1 115 LYS H 1 115 LYS QB 3.000 . 4.000 2.336 2.138 2.663 . 0 0 "[ . 1]" 1
431 1 116 LEU H 1 117 THR H 4.000 . 5.000 4.523 4.454 4.604 . 0 0 "[ . 1]" 1
432 1 116 LEU H 1 116 LEU QB 3.000 . 4.000 2.437 2.256 3.030 . 0 0 "[ . 1]" 1
433 1 116 LEU QB 1 117 THR H 4.000 . 5.500 2.845 2.560 3.259 . 0 0 "[ . 1]" 1
434 1 117 THR H 1 118 ASP H 4.000 . 5.000 4.609 4.562 4.636 . 0 0 "[ . 1]" 1
435 1 116 LEU HA 1 117 THR H 2.500 . 2.900 2.276 2.171 2.352 . 0 0 "[ . 1]" 1
436 1 117 THR HA 1 118 ASP H 2.500 . 2.900 2.273 2.262 2.324 . 0 0 "[ . 1]" 1
437 1 117 THR H 1 117 THR HB 4.000 . 5.000 3.319 2.755 3.648 . 0 0 "[ . 1]" 1
438 1 117 THR H 1 117 THR MG 3.500 2.300 5.000 2.563 1.644 3.716 0.656 1 2 "[+ - . 1]" 1
439 1 117 THR MG 1 118 ASP H 4.000 . 6.000 3.410 1.951 4.212 . 0 0 "[ . 1]" 1
440 1 117 THR MG 1 119 GLU H 4.000 . 6.000 3.837 2.190 4.697 . 0 0 "[ . 1]" 1
441 1 118 ASP H 1 119 GLU H 3.000 . 3.500 2.578 2.434 2.813 . 0 0 "[ . 1]" 1
442 1 117 THR HB 1 118 ASP H 3.000 . 3.500 3.175 2.815 3.543 0.043 3 0 "[ . 1]" 1
443 1 118 ASP H 1 118 ASP HA 3.000 . 3.500 2.851 2.764 2.881 . 0 0 "[ . 1]" 1
444 1 118 ASP H 1 118 ASP QB 3.000 . 4.000 2.514 2.210 2.852 . 0 0 "[ . 1]" 1
445 1 119 GLU H 1 119 GLU HA 3.000 . 3.500 2.819 2.734 2.877 . 0 0 "[ . 1]" 1
446 1 121 VAL H 1 121 VAL HA 3.000 . 3.500 2.841 2.767 2.897 . 0 0 "[ . 1]" 1
447 1 121 VAL HA 1 124 MET H 4.000 . 5.000 3.782 3.353 4.046 . 0 0 "[ . 1]" 1
448 1 121 VAL H 1 121 VAL HB 3.000 . 3.500 2.460 2.333 2.641 . 0 0 "[ . 1]" 1
449 1 121 VAL H 1 121 VAL MG1 3.000 . 4.500 3.738 3.711 3.747 . 0 0 "[ . 1]" 1
450 1 121 VAL H 1 121 VAL MG2 3.000 . 4.500 2.227 1.942 2.516 . 0 0 "[ . 1]" 1
451 1 121 VAL MG1 1 122 ASP H 4.000 . 6.000 3.327 3.115 3.565 . 0 0 "[ . 1]" 1
452 1 122 ASP H 1 122 ASP HA 3.000 . 3.500 2.833 2.736 2.901 . 0 0 "[ . 1]" 1
453 1 122 ASP H 1 122 ASP QB 3.000 . 4.000 2.290 2.164 2.415 . 0 0 "[ . 1]" 1
454 1 122 ASP QB 1 123 GLU H 3.500 2.300 4.500 2.588 2.202 3.337 0.098 8 0 "[ . 1]" 1
455 1 121 VAL H 1 123 GLU H 4.000 . 5.000 4.116 3.788 4.398 . 0 0 "[ . 1]" 1
456 1 123 GLU H 1 124 MET H 3.000 . 3.500 2.780 2.634 2.936 . 0 0 "[ . 1]" 1
457 1 123 GLU H 1 123 GLU HA 3.000 . 3.500 2.803 2.744 2.876 . 0 0 "[ . 1]" 1
458 1 123 GLU H 1 123 GLU QB 3.000 . 4.000 2.260 2.163 2.468 . 0 0 "[ . 1]" 1
459 1 123 GLU H 1 123 GLU QG 3.500 2.300 4.500 3.647 2.048 4.059 0.252 8 0 "[ . 1]" 1
460 1 124 MET H 1 124 MET HA 3.000 . 3.500 2.806 2.742 2.865 . 0 0 "[ . 1]" 1
461 1 124 MET H 1 124 MET QB 3.000 . 4.000 2.221 2.066 2.364 . 0 0 "[ . 1]" 1
462 1 124 MET QB 1 125 ILE H 4.000 . 5.500 2.204 2.093 2.380 . 0 0 "[ . 1]" 1
463 1 125 ILE H 1 126 ARG H 3.000 . 3.500 2.850 2.732 3.038 . 0 0 "[ . 1]" 1
464 1 125 ILE H 1 125 ILE HA 3.000 . 3.500 2.794 2.733 2.822 . 0 0 "[ . 1]" 1
465 1 125 ILE HA 1 126 ARG H 4.000 . 5.000 3.563 3.542 3.575 . 0 0 "[ . 1]" 1
466 1 125 ILE HA 1 128 ALA H 4.000 . 5.000 3.362 3.146 3.604 . 0 0 "[ . 1]" 1
467 1 125 ILE H 1 125 ILE HB 3.000 . 3.500 2.421 2.233 2.783 . 0 0 "[ . 1]" 1
468 1 125 ILE HA 1 128 ALA MB 3.000 . 4.500 2.925 2.518 3.436 . 0 0 "[ . 1]" 1
469 1 125 ILE H 1 125 ILE QG 3.000 . 4.500 2.494 1.692 3.855 0.108 6 0 "[ . 1]" 1
470 1 125 ILE H 1 125 ILE MG 4.000 . 6.000 3.496 2.580 3.748 . 0 0 "[ . 1]" 1
471 1 125 ILE MG 1 126 ARG H 4.000 . 6.000 2.779 1.672 3.533 0.128 8 0 "[ . 1]" 1
472 1 124 MET H 1 126 ARG H 4.000 . 5.000 4.266 3.913 4.548 . 0 0 "[ . 1]" 1
473 1 126 ARG H 1 127 GLU H 3.000 . 3.500 2.703 2.398 2.876 . 0 0 "[ . 1]" 1
474 1 126 ARG H 1 128 ALA H 4.000 . 5.000 4.487 3.947 4.744 . 0 0 "[ . 1]" 1
475 1 125 ILE HB 1 126 ARG H 3.000 . 3.500 2.616 2.215 3.632 0.132 1 0 "[ . 1]" 1
476 1 126 ARG H 1 126 ARG QD 4.000 . 5.500 4.189 3.650 4.482 . 0 0 "[ . 1]" 1
477 1 126 ARG H 1 126 ARG QB 3.000 . 4.000 2.239 2.158 2.279 . 0 0 "[ . 1]" 1
478 1 127 GLU H 1 128 ALA H 3.000 . 3.500 2.493 2.240 2.658 . 0 0 "[ . 1]" 1
479 1 127 GLU H 1 127 GLU HA 3.000 . 3.500 2.899 2.871 2.921 . 0 0 "[ . 1]" 1
480 1 127 GLU HA 1 128 ALA H 4.000 . 5.000 3.544 3.434 3.575 . 0 0 "[ . 1]" 1
481 1 127 GLU H 1 127 GLU QB 3.000 . 4.000 2.260 2.202 2.331 . 0 0 "[ . 1]" 1
482 1 127 GLU QB 1 128 ALA H 4.000 . 5.500 2.446 2.184 3.048 . 0 0 "[ . 1]" 1
483 1 123 GLU QG 1 124 MET H 4.000 . 5.500 3.671 3.037 4.222 . 0 0 "[ . 1]" 1
484 1 128 ALA H 1 129 ASP H 2.500 . 2.900 2.450 2.109 2.666 . 0 0 "[ . 1]" 1
485 1 128 ALA H 1 128 ALA HA 3.000 . 3.500 2.876 2.823 2.944 . 0 0 "[ . 1]" 1
486 1 128 ALA H 1 128 ALA MB 3.000 . 4.500 2.225 2.090 2.286 . 0 0 "[ . 1]" 1
487 1 128 ALA MB 1 129 ASP H 4.000 . 6.000 2.981 2.683 3.271 . 0 0 "[ . 1]" 1
488 1 129 ASP H 1 129 ASP HA 3.000 . 3.500 2.856 2.813 2.923 . 0 0 "[ . 1]" 1
489 1 128 ALA H 1 129 ASP QB 4.500 2.300 6.000 4.253 3.897 4.593 . 0 0 "[ . 1]" 1
490 1 129 ASP H 1 129 ASP QB 3.000 . 4.000 2.248 2.059 2.327 . 0 0 "[ . 1]" 1
491 1 129 ASP QB 1 132 GLY H 4.000 . 5.500 2.426 1.688 2.956 0.112 7 0 "[ . 1]" 1
492 1 130 ILE H 1 131 ASP H 2.500 . 2.900 2.813 2.523 2.889 . 0 0 "[ . 1]" 1
493 1 130 ILE H 1 130 ILE HA 3.000 . 3.500 2.768 2.748 2.891 . 0 0 "[ . 1]" 1
494 1 130 ILE HA 1 131 ASP H 4.000 . 5.000 3.533 3.466 3.565 . 0 0 "[ . 1]" 1
495 1 130 ILE H 1 130 ILE HB 3.000 . 3.500 2.727 2.371 3.488 . 0 0 "[ . 1]" 1
496 1 130 ILE HB 1 131 ASP H 3.000 . 3.500 2.706 2.396 3.553 0.053 1 0 "[ . 1]" 1
497 1 130 ILE H 1 130 ILE QG 4.000 . 5.500 1.928 1.734 2.389 0.066 8 0 "[ . 1]" 1
498 1 130 ILE QG 1 131 ASP H 4.000 . 5.500 3.833 2.444 4.204 . 0 0 "[ . 1]" 1
499 1 130 ILE H 1 130 ILE MG 4.000 . 6.000 3.636 2.812 3.756 . 0 0 "[ . 1]" 1
500 1 130 ILE MG 1 131 ASP H 4.000 . 6.000 3.618 3.006 4.301 . 0 0 "[ . 1]" 1
501 1 136 VAL MG1 1 140 GLU H 4.000 . 6.000 3.849 3.648 4.095 . 0 0 "[ . 1]" 1
502 1 133 ASP H 1 135 GLN H 3.500 2.300 4.500 3.221 3.069 3.555 . 0 0 "[ . 1]" 1
503 1 130 ILE HB 1 131 ASP HA 4.500 2.300 5.500 4.345 4.192 4.576 . 0 0 "[ . 1]" 1
504 1 129 ASP HA 1 130 ILE H 2.500 . 2.900 2.231 2.156 2.248 . 0 0 "[ . 1]" 1
505 1 131 ASP H 1 131 ASP HA 3.000 . 3.500 2.915 2.873 2.955 . 0 0 "[ . 1]" 1
506 1 131 ASP H 1 131 ASP QB 3.000 . 4.000 2.774 2.442 2.974 . 0 0 "[ . 1]" 1
507 1 131 ASP H 1 132 GLY H 2.500 . 2.900 2.295 2.052 2.467 . 0 0 "[ . 1]" 1
508 1 132 GLY H 1 133 ASP H 2.500 . 2.900 2.839 2.687 2.957 0.057 7 0 "[ . 1]" 1
509 1 133 ASP H 1 134 GLY H 2.500 . 2.900 2.250 2.106 2.418 . 0 0 "[ . 1]" 1
510 1 133 ASP HA 1 134 GLY H 4.000 . 5.000 3.317 3.171 3.498 . 0 0 "[ . 1]" 1
511 1 133 ASP H 1 133 ASP QB 3.000 . 4.000 2.633 2.172 2.956 . 0 0 "[ . 1]" 1
512 1 133 ASP QB 1 134 GLY H 4.500 2.300 6.000 3.456 2.828 3.794 . 0 0 "[ . 1]" 1
513 1 134 GLY H 1 135 GLN H 2.500 . 2.900 2.309 2.083 2.676 . 0 0 "[ . 1]" 1
514 1 133 ASP H 1 134 GLY QA 4.000 . 5.500 4.221 4.096 4.351 . 0 0 "[ . 1]" 1
515 1 134 GLY QA 1 135 GLN H 3.000 . 4.000 2.917 2.902 2.923 . 0 0 "[ . 1]" 1
516 1 135 GLN H 1 136 VAL H 4.000 . 5.000 4.425 4.405 4.461 . 0 0 "[ . 1]" 1
517 1 135 GLN HA 1 136 VAL H 2.500 . 2.900 2.384 2.317 2.447 . 0 0 "[ . 1]" 1
518 1 135 GLN H 1 135 GLN QB 3.000 . 4.000 2.946 2.592 3.219 . 0 0 "[ . 1]" 1
519 1 135 GLN QB 1 136 VAL H 3.000 . 4.000 2.627 2.337 3.380 . 0 0 "[ . 1]" 1
520 1 136 VAL HA 1 137 ASN H 2.500 . 2.900 2.191 2.174 2.217 . 0 0 "[ . 1]" 1
521 1 136 VAL H 1 136 VAL HB 3.000 . 3.500 2.579 2.381 2.914 . 0 0 "[ . 1]" 1
522 1 136 VAL H 1 136 VAL MG2 3.500 2.300 5.000 2.707 2.265 2.976 0.035 9 0 "[ . 1]" 1
523 1 136 VAL H 1 136 VAL MG1 4.000 . 6.000 3.799 3.671 3.891 . 0 0 "[ . 1]" 1
524 1 100 ILE HB 1 136 VAL HB 4.000 . 5.000 3.465 2.683 4.507 . 0 0 "[ . 1]" 1
525 1 100 ILE MD 1 136 VAL HB 4.000 . 6.000 3.912 3.238 4.764 . 0 0 "[ . 1]" 1
526 1 135 GLN HA 1 136 VAL MG2 4.000 . 6.000 3.398 3.033 3.777 . 0 0 "[ . 1]" 1
527 1 137 ASN H 1 140 GLU H 4.000 . 5.000 3.555 3.169 3.950 . 0 0 "[ . 1]" 1
528 1 99 TYR HA 1 137 ASN HA 4.000 . 5.000 2.788 2.385 3.666 . 0 0 "[ . 1]" 1
529 1 137 ASN HA 1 138 TYR H 4.000 . 5.000 2.373 2.361 2.416 . 0 0 "[ . 1]" 1
530 1 137 ASN HA 1 139 GLU H 4.000 . 5.000 4.166 4.017 4.301 . 0 0 "[ . 1]" 1
531 1 138 TYR H 1 139 GLU H 3.000 . 3.500 2.749 2.705 2.800 . 0 0 "[ . 1]" 1
532 1 138 TYR H 1 138 TYR HA 3.000 . 3.500 2.777 2.757 2.785 . 0 0 "[ . 1]" 1
533 1 138 TYR H 1 138 TYR QB 3.000 . 4.000 2.204 2.062 2.257 . 0 0 "[ . 1]" 1
534 1 139 GLU H 1 140 GLU H 3.000 . 3.500 2.662 2.543 2.807 . 0 0 "[ . 1]" 1
535 1 138 TYR HA 1 139 GLU H 4.000 . 5.000 3.510 3.470 3.539 . 0 0 "[ . 1]" 1
536 1 139 GLU H 1 139 GLU HA 3.000 . 3.500 2.824 2.781 2.857 . 0 0 "[ . 1]" 1
537 1 139 GLU HA 1 140 GLU H 4.000 . 5.000 3.542 3.531 3.551 . 0 0 "[ . 1]" 1
538 1 139 GLU H 1 139 GLU QB 3.000 . 4.000 2.301 2.157 2.702 . 0 0 "[ . 1]" 1
539 1 139 GLU H 1 139 GLU QG 4.000 . 5.500 3.404 1.751 4.015 0.049 8 0 "[ . 1]" 1
540 1 139 GLU QG 1 140 GLU H 4.000 . 5.500 3.943 3.445 4.202 . 0 0 "[ . 1]" 1
541 1 140 GLU H 1 140 GLU HA 3.000 . 3.500 2.826 2.816 2.834 . 0 0 "[ . 1]" 1
542 1 141 PHE H 1 141 PHE HA 3.000 . 3.500 2.768 2.761 2.796 . 0 0 "[ . 1]" 1
543 1 141 PHE HA 1 145 MET H 4.000 . 5.000 5.052 4.670 5.259 0.259 5 0 "[ . 1]" 1
544 1 141 PHE H 1 141 PHE QB 3.000 . 4.000 2.081 2.043 2.131 . 0 0 "[ . 1]" 1
545 1 141 PHE HA 1 144 MET QB 3.000 . 4.000 3.436 2.838 3.669 . 0 0 "[ . 1]" 1
546 1 144 MET H 1 144 MET QB 3.000 . 4.000 2.209 2.075 2.518 . 0 0 "[ . 1]" 1
547 1 142 VAL H 1 143 GLN H 3.000 . 3.500 2.645 2.410 2.803 . 0 0 "[ . 1]" 1
548 1 142 VAL HA 1 145 MET H 4.000 . 5.000 3.424 3.252 3.680 . 0 0 "[ . 1]" 1
549 1 139 GLU HA 1 142 VAL MG2 4.000 . 6.000 3.206 2.514 3.448 . 0 0 "[ . 1]" 1
550 1 141 PHE HA 1 141 PHE HD1 2.500 . 2.900 2.629 2.331 2.877 . 0 0 "[ . 1]" 1
551 1 142 VAL H 1 142 VAL HB 3.000 . 3.500 2.485 2.352 2.712 . 0 0 "[ . 1]" 1
552 1 142 VAL HB 1 143 GLN H 3.500 2.300 4.200 2.786 2.342 3.095 . 0 0 "[ . 1]" 1
553 1 142 VAL H 1 142 VAL MG2 3.000 . 4.500 2.166 1.786 2.353 0.014 5 0 "[ . 1]" 1
554 1 142 VAL MG2 1 143 GLN H 4.000 . 6.000 3.916 3.523 4.105 . 0 0 "[ . 1]" 1
555 1 139 GLU H 1 142 VAL MG2 4.500 2.300 6.500 5.062 4.407 5.241 . 0 0 "[ . 1]" 1
556 1 141 PHE HD2 1 142 VAL MG2 4.500 2.300 6.500 4.877 4.468 5.250 . 0 0 "[ . 1]" 1
557 1 143 GLN H 1 144 MET H 3.000 . 3.500 2.844 2.371 3.063 . 0 0 "[ . 1]" 1
558 1 143 GLN H 1 143 GLN HA 3.000 . 3.500 2.789 2.726 2.894 . 0 0 "[ . 1]" 1
559 1 143 GLN QB 1 144 MET H 4.000 . 5.500 2.345 2.171 2.764 . 0 0 "[ . 1]" 1
560 1 143 GLN H 1 143 GLN QB 3.000 . 4.000 2.361 2.113 2.645 . 0 0 "[ . 1]" 1
561 1 144 MET H 1 144 MET HA 3.000 . 3.500 2.781 2.755 2.891 . 0 0 "[ . 1]" 1
562 1 144 MET H 1 145 MET H 3.000 . 3.500 2.750 2.447 2.883 . 0 0 "[ . 1]" 1
563 1 145 MET H 1 145 MET HA 3.000 . 3.500 2.886 2.832 2.951 . 0 0 "[ . 1]" 1
564 1 145 MET H 1 145 MET QB 3.000 . 4.000 2.340 2.128 2.831 . 0 0 "[ . 1]" 1
565 1 145 MET QB 1 146 THR H 3.500 2.300 5.000 3.384 3.068 3.758 . 0 0 "[ . 1]" 1
566 1 145 MET H 1 145 MET QG 4.000 . 5.500 3.191 1.690 3.918 0.110 5 0 "[ . 1]" 1
567 1 146 THR H 1 146 THR HA 3.000 . 3.500 2.937 2.885 2.958 . 0 0 "[ . 1]" 1
568 1 146 THR H 1 146 THR HB 4.000 . 5.000 3.168 2.595 3.744 . 0 0 "[ . 1]" 1
569 1 146 THR H 1 146 THR MG 3.000 . 4.500 2.945 1.690 3.834 0.110 10 0 "[ . 1]" 1
570 1 32 LEU MD2 1 52 ILE MD 3.000 . 6.000 3.352 2.153 3.983 . 0 0 "[ . 1]" 1
571 1 32 LEU MD2 1 48 LEU MD2 4.000 . 7.000 3.765 2.060 4.810 . 0 0 "[ . 1]" 1
572 1 32 LEU MD1 1 48 LEU MD2 4.000 . 7.000 4.074 2.714 4.738 . 0 0 "[ . 1]" 1
573 1 52 ILE MD 1 63 ILE MD 4.500 2.300 7.500 2.572 1.769 3.820 0.531 9 1 "[ . +1]" 1
574 1 55 VAL MG2 1 63 ILE MD 4.000 . 7.000 2.626 1.747 3.646 0.053 10 0 "[ . 1]" 1
575 1 27 ILE MG 1 32 LEU H 3.500 2.300 5.000 3.591 3.055 3.992 . 0 0 "[ . 1]" 1
576 1 19 PHE QB 1 27 ILE MG 4.000 . 6.000 2.544 2.191 2.994 . 0 0 "[ . 1]" 1
577 1 16 PHE HA 1 27 ILE MD 5.000 2.800 7.000 3.280 2.822 4.630 . 0 0 "[ . 1]" 1
578 1 27 ILE MD 1 63 ILE H 5.000 2.800 7.000 5.238 4.394 5.586 . 0 0 "[ . 1]" 1
579 1 19 PHE HA 1 27 ILE MD 4.000 . 7.000 4.701 4.391 5.023 . 0 0 "[ . 1]" 1
580 1 19 PHE QB 1 27 ILE MD 3.500 2.300 5.500 2.345 1.989 2.974 0.311 10 0 "[ . 1]" 1
581 1 20 ASP H 1 27 ILE MD 5.000 2.800 7.000 3.380 2.902 3.727 . 0 0 "[ . 1]" 1
582 1 27 ILE MD 1 63 ILE HB 4.000 . 6.000 3.501 2.833 4.564 . 0 0 "[ . 1]" 1
583 1 27 ILE MD 1 63 ILE MG 4.000 . 7.000 2.942 2.389 4.408 . 0 0 "[ . 1]" 1
584 1 27 ILE H 1 62 THR MG 5.000 2.800 7.000 4.540 3.755 5.016 . 0 0 "[ . 1]" 1
585 1 28 THR H 1 62 THR MG 5.000 2.800 7.000 4.926 4.226 5.297 . 0 0 "[ . 1]" 1
586 1 29 THR H 1 62 THR MG 5.000 2.800 7.000 5.242 4.489 5.720 . 0 0 "[ . 1]" 1
587 1 68 PHE HA 1 71 MET QB 4.000 . 5.500 3.149 2.748 3.403 . 0 0 "[ . 1]" 1
588 1 73 ALA HA 1 76 MET H 4.000 . 5.000 3.523 3.421 3.784 . 0 0 "[ . 1]" 1
589 1 73 ALA HA 1 76 MET QB 4.000 . 5.500 3.243 2.913 4.069 . 0 0 "[ . 1]" 1
590 1 4 LEU MD1 1 73 ALA HA 3.500 . 5.500 4.364 4.147 4.533 . 0 0 "[ . 1]" 1
591 1 70 THR HA 1 73 ALA MB 3.000 . 4.500 2.234 2.166 2.419 . 0 0 "[ . 1]" 1
592 1 67 GLU HA 1 70 THR HB 3.000 . 4.000 3.152 2.208 4.062 0.062 10 0 "[ . 1]" 1
593 1 4 LEU MD1 1 73 ALA MB 4.000 . 6.000 2.899 2.298 3.265 . 0 0 "[ . 1]" 1
594 1 12 PHE HE2 1 73 ALA MB 5.000 2.800 7.000 4.291 3.556 4.907 . 0 0 "[ . 1]" 1
595 1 7 GLU HA 1 10 ALA MB 3.000 . 4.500 3.053 2.890 3.298 . 0 0 "[ . 1]" 1
596 1 45 GLU HA 1 48 LEU QB 3.000 . 4.000 3.185 2.521 3.665 . 0 0 "[ . 1]" 1
597 1 46 ALA HA 1 49 GLN QB 3.000 . 4.000 2.796 2.574 3.023 . 0 0 "[ . 1]" 1
598 1 3 GLN HA 1 4 LEU H 3.000 . 3.500 2.754 2.176 3.574 0.074 6 0 "[ . 1]" 1
599 1 3 GLN H 1 3 GLN QB 3.000 . 4.000 2.844 2.290 3.284 . 0 0 "[ . 1]" 1
600 1 3 GLN QB 1 4 LEU H 4.000 . 5.500 2.956 1.736 4.010 0.064 7 0 "[ . 1]" 1
601 1 3 GLN H 1 3 GLN QG 4.000 . 5.500 3.161 1.720 4.529 0.080 4 0 "[ . 1]" 1
602 1 3 GLN QG 1 4 LEU H 4.000 . 5.500 3.628 1.954 4.493 . 0 0 "[ . 1]" 1
603 1 4 LEU H 1 5 THR H 4.000 . 5.000 4.531 4.494 4.614 . 0 0 "[ . 1]" 1
604 1 4 LEU H 1 4 LEU HA 3.000 . 3.500 2.891 2.870 2.925 . 0 0 "[ . 1]" 1
605 1 4 LEU H 1 4 LEU QB 3.000 . 4.000 2.206 2.115 2.510 . 0 0 "[ . 1]" 1
606 1 4 LEU QB 1 5 THR H 4.000 . 5.500 3.479 2.599 3.664 . 0 0 "[ . 1]" 1
607 1 4 LEU H 1 4 LEU MD2 4.000 . 6.000 4.059 1.740 4.375 0.060 8 0 "[ . 1]" 1
608 1 4 LEU MD1 1 5 THR H 4.000 . 6.000 3.765 3.423 4.645 . 0 0 "[ . 1]" 1
609 1 4 LEU H 1 4 LEU MD1 4.000 . 5.500 3.389 2.933 3.647 . 0 0 "[ . 1]" 1
610 1 5 THR H 1 6 GLU H 4.000 . 5.000 4.617 4.542 4.635 . 0 0 "[ . 1]" 1
611 1 5 THR HA 1 6 GLU H 3.000 . 3.500 2.300 2.255 2.464 . 0 0 "[ . 1]" 1
612 1 5 THR MG 1 6 GLU H 4.000 . 6.000 3.382 1.810 4.191 . 0 0 "[ . 1]" 1
613 1 6 GLU H 1 7 GLU H 3.000 . 3.500 2.845 2.791 2.919 . 0 0 "[ . 1]" 1
614 1 6 GLU H 1 6 GLU HA 3.000 . 3.500 2.771 2.745 2.784 . 0 0 "[ . 1]" 1
615 1 5 THR HB 1 6 GLU H 3.000 . 3.500 3.061 2.543 3.615 0.115 6 0 "[ . 1]" 1
616 1 5 THR HA 1 6 GLU QB 4.000 . 6.000 4.607 4.406 4.938 . 0 0 "[ . 1]" 1
617 1 6 GLU H 1 6 GLU QB 3.000 . 4.000 2.547 2.288 2.793 . 0 0 "[ . 1]" 1
618 1 6 GLU H 1 6 GLU QG 3.000 . 4.000 2.118 1.698 2.839 0.102 10 0 "[ . 1]" 1
619 1 7 GLU H 1 8 GLN H 3.000 . 3.500 2.790 2.693 3.000 . 0 0 "[ . 1]" 1
620 1 7 GLU H 1 9 ILE H 4.000 . 5.000 4.341 4.214 4.521 . 0 0 "[ . 1]" 1
621 1 7 GLU H 1 7 GLU HA 3.000 . 3.500 2.771 2.749 2.797 . 0 0 "[ . 1]" 1
622 1 7 GLU H 1 7 GLU QB 3.000 . 4.000 2.430 2.145 2.777 . 0 0 "[ . 1]" 1
623 1 7 GLU H 1 7 GLU QG 4.000 . 5.500 2.690 1.777 4.021 0.023 7 0 "[ . 1]" 1
624 1 8 GLN H 1 9 ILE H 3.000 . 3.500 2.470 2.358 2.747 . 0 0 "[ . 1]" 1
625 1 8 GLN H 1 8 GLN HA 3.000 . 3.500 2.896 2.812 2.923 . 0 0 "[ . 1]" 1
626 1 8 GLN HA 1 9 ILE H 3.000 . 3.500 3.558 3.543 3.574 0.074 8 0 "[ . 1]" 1
627 1 8 GLN H 1 8 GLN QG 3.000 . 4.000 3.141 2.297 3.679 . 0 0 "[ . 1]" 1
628 1 8 GLN QG 1 9 ILE H 4.000 . 5.500 4.273 4.024 4.506 . 0 0 "[ . 1]" 1
629 1 9 ILE H 1 10 ALA H 3.000 . 3.500 2.708 2.633 2.830 . 0 0 "[ . 1]" 1
630 1 9 ILE H 1 9 ILE HA 3.000 . 3.500 2.790 2.739 2.821 . 0 0 "[ . 1]" 1
631 1 9 ILE H 1 9 ILE HB 3.000 . 3.500 2.535 2.404 2.635 . 0 0 "[ . 1]" 1
632 1 9 ILE HB 1 10 ALA H 3.500 2.300 4.000 2.858 2.761 2.997 . 0 0 "[ . 1]" 1
633 1 9 ILE H 1 9 ILE MD 4.000 . 5.500 3.381 3.079 3.593 . 0 0 "[ . 1]" 1
634 1 9 ILE H 1 9 ILE MG 4.000 . 6.000 3.742 3.731 3.748 . 0 0 "[ . 1]" 1
635 1 9 ILE MG 1 10 ALA H 3.000 . 5.000 3.634 3.433 3.869 . 0 0 "[ . 1]" 1
636 1 10 ALA H 1 10 ALA MB 3.000 . 4.500 2.224 2.148 2.253 . 0 0 "[ . 1]" 1
637 1 10 ALA MB 1 11 GLU H 3.000 . 4.500 2.171 2.096 2.289 . 0 0 "[ . 1]" 1
638 1 11 GLU H 1 12 PHE H 3.000 . 3.500 2.874 2.787 3.020 . 0 0 "[ . 1]" 1
639 1 11 GLU H 1 11 GLU HA 3.000 . 3.500 2.739 2.725 2.756 . 0 0 "[ . 1]" 1
640 1 11 GLU H 1 11 GLU QB 3.000 . 4.000 2.271 2.113 2.437 . 0 0 "[ . 1]" 1
641 1 12 PHE H 1 13 LYS H 3.000 . 3.500 2.703 2.586 2.783 . 0 0 "[ . 1]" 1
642 1 12 PHE H 1 12 PHE HA 3.000 . 3.500 2.828 2.798 2.874 . 0 0 "[ . 1]" 1
643 1 12 PHE HA 1 15 ALA MB 3.000 . 4.500 2.967 2.708 3.318 . 0 0 "[ . 1]" 1
644 1 12 PHE H 1 12 PHE QB 3.000 . 4.000 2.188 2.105 2.448 . 0 0 "[ . 1]" 1
645 1 13 LYS H 1 14 GLU H 3.000 . 3.500 2.831 2.803 2.877 . 0 0 "[ . 1]" 1
646 1 13 LYS H 1 15 ALA H 4.000 . 5.000 4.462 4.213 4.737 . 0 0 "[ . 1]" 1
647 1 13 LYS H 1 13 LYS HA 3.000 . 3.500 2.748 2.744 2.771 . 0 0 "[ . 1]" 1
648 1 13 LYS H 1 13 LYS QB 3.000 . 4.000 2.194 2.076 2.393 . 0 0 "[ . 1]" 1
649 1 13 LYS H 1 13 LYS QD 4.000 . 5.500 4.102 3.521 4.536 . 0 0 "[ . 1]" 1
650 1 13 LYS H 1 13 LYS QG 4.000 . 5.500 3.353 2.315 3.975 . 0 0 "[ . 1]" 1
651 1 14 GLU H 1 14 GLU HA 3.000 . 3.500 2.815 2.767 2.842 . 0 0 "[ . 1]" 1
652 1 15 ALA H 1 16 PHE H 3.000 . 3.500 2.893 2.716 3.050 . 0 0 "[ . 1]" 1
653 1 15 ALA H 1 15 ALA HA 3.000 . 3.500 2.770 2.735 2.819 . 0 0 "[ . 1]" 1
654 1 15 ALA H 1 15 ALA MB 3.000 . 4.500 2.195 2.071 2.247 . 0 0 "[ . 1]" 1
655 1 16 PHE H 1 17 SER H 3.000 . 3.500 2.934 2.677 3.111 . 0 0 "[ . 1]" 1
656 1 16 PHE H 1 18 LEU H 4.000 . 5.000 3.939 3.739 4.115 . 0 0 "[ . 1]" 1
657 1 15 ALA MB 1 16 PHE H 3.000 . 4.500 2.348 2.146 2.786 . 0 0 "[ . 1]" 1
658 1 16 PHE H 1 16 PHE HA 3.000 . 3.500 2.773 2.723 2.858 . 0 0 "[ . 1]" 1
659 1 16 PHE HA 1 17 SER H 4.000 . 5.000 3.547 3.433 3.576 . 0 0 "[ . 1]" 1
660 1 16 PHE H 1 16 PHE QB 3.000 . 4.500 2.117 2.058 2.223 . 0 0 "[ . 1]" 1
661 1 16 PHE QB 1 17 SER H 4.000 . 5.500 2.349 2.100 3.051 . 0 0 "[ . 1]" 1
662 1 16 PHE HD2 1 17 SER H 4.000 . 5.000 4.466 3.529 5.171 0.171 10 0 "[ . 1]" 1
663 1 16 PHE H 1 16 PHE HD2 4.000 . 5.000 4.374 3.280 5.137 0.137 7 0 "[ . 1]" 1
664 1 24 ASP QB 1 26 THR H 4.000 . 5.500 2.945 2.461 3.649 . 0 0 "[ . 1]" 1
665 1 24 ASP QB 1 25 GLY H 4.000 . 5.500 3.141 2.796 3.560 . 0 0 "[ . 1]" 1
666 1 17 SER H 1 18 LEU H 3.000 . 3.500 2.694 2.297 2.812 . 0 0 "[ . 1]" 1
667 1 17 SER HA 1 18 LEU H 4.000 . 5.000 3.445 3.441 3.457 . 0 0 "[ . 1]" 1
668 1 17 SER H 1 17 SER QB 3.000 . 4.000 2.395 2.130 2.901 . 0 0 "[ . 1]" 1
669 1 18 LEU H 1 19 PHE H 3.000 . 3.500 2.428 2.253 2.644 . 0 0 "[ . 1]" 1
670 1 17 SER QB 1 18 LEU H 4.000 . 5.500 3.150 2.978 3.630 . 0 0 "[ . 1]" 1
671 1 17 SER H 1 18 LEU QB 4.500 2.300 6.000 4.423 4.029 4.581 . 0 0 "[ . 1]" 1
672 1 18 LEU H 1 18 LEU QB 3.000 . 4.000 2.182 2.082 2.320 . 0 0 "[ . 1]" 1
673 1 18 LEU QB 1 19 PHE H 4.000 . 5.500 2.694 2.426 2.850 . 0 0 "[ . 1]" 1
674 1 17 SER H 1 19 PHE H 4.000 . 5.000 4.316 3.897 4.621 . 0 0 "[ . 1]" 1
675 1 19 PHE H 1 19 PHE QB 3.000 . 4.500 2.264 2.185 2.411 . 0 0 "[ . 1]" 1
676 1 18 LEU H 1 20 ASP H 4.000 . 5.000 4.020 3.906 4.091 . 0 0 "[ . 1]" 1
677 1 19 PHE H 1 20 ASP H 3.000 . 3.500 2.417 2.400 2.484 . 0 0 "[ . 1]" 1
678 1 20 ASP H 1 20 ASP HA 3.000 . 3.500 2.883 2.846 2.934 . 0 0 "[ . 1]" 1
679 1 20 ASP HA 1 21 LYS H 3.000 . 3.500 2.403 2.255 2.481 . 0 0 "[ . 1]" 1
680 1 20 ASP H 1 20 ASP QB 3.000 . 4.000 2.255 2.178 2.356 . 0 0 "[ . 1]" 1
681 1 20 ASP QB 1 21 LYS H 4.000 . 5.500 4.001 3.907 4.035 . 0 0 "[ . 1]" 1
682 1 20 ASP QB 1 22 ASP H 4.000 . 5.500 4.201 3.602 4.444 . 0 0 "[ . 1]" 1
683 1 20 ASP QB 1 23 GLY H 4.000 . 5.500 3.271 2.398 3.763 . 0 0 "[ . 1]" 1
684 1 21 LYS H 1 21 LYS HA 3.000 . 3.500 2.849 2.751 2.902 . 0 0 "[ . 1]" 1
685 1 21 LYS HA 1 22 ASP H 4.000 . 5.000 3.437 3.435 3.445 . 0 0 "[ . 1]" 1
686 1 21 LYS H 1 21 LYS QB 3.000 . 4.000 2.284 2.059 2.788 . 0 0 "[ . 1]" 1
687 1 21 LYS QB 1 22 ASP H 3.500 2.300 4.500 3.219 3.020 3.635 . 0 0 "[ . 1]" 1
688 1 21 LYS H 1 21 LYS QG 3.000 . 4.000 2.994 1.763 3.994 0.037 8 0 "[ . 1]" 1
689 1 21 LYS H 1 22 ASP H 3.000 . 3.500 2.527 2.347 2.790 . 0 0 "[ . 1]" 1
690 1 22 ASP H 1 23 GLY H 3.000 . 3.500 2.341 2.177 2.516 . 0 0 "[ . 1]" 1
691 1 22 ASP H 1 22 ASP HA 3.000 . 3.500 2.905 2.863 2.937 . 0 0 "[ . 1]" 1
692 1 22 ASP H 1 22 ASP QB 3.000 . 4.000 2.515 2.336 2.789 . 0 0 "[ . 1]" 1
693 1 22 ASP QB 1 23 GLY H 4.000 . 5.500 3.165 3.101 3.662 . 0 0 "[ . 1]" 1
694 1 23 GLY H 1 24 ASP H 3.000 . 3.500 2.691 2.634 2.737 . 0 0 "[ . 1]" 1
695 1 23 GLY QA 1 24 ASP H 3.000 2.300 4.000 2.772 2.721 2.821 . 0 0 "[ . 1]" 1
696 1 22 ASP H 1 24 ASP H 4.500 2.300 5.500 3.979 3.870 4.083 . 0 0 "[ . 1]" 1
697 1 24 ASP H 1 25 GLY H 3.000 . 3.500 2.379 2.293 2.517 . 0 0 "[ . 1]" 1
698 1 24 ASP H 1 26 THR H 4.000 . 5.000 3.709 3.661 3.804 . 0 0 "[ . 1]" 1
699 1 20 ASP HA 1 23 GLY H 4.000 . 5.000 3.803 3.510 4.243 . 0 0 "[ . 1]" 1
700 1 24 ASP H 1 24 ASP HA 3.000 . 3.500 2.892 2.857 2.911 . 0 0 "[ . 1]" 1
701 1 24 ASP H 1 24 ASP QB 3.000 . 4.000 2.479 2.181 2.860 . 0 0 "[ . 1]" 1
702 1 23 GLY H 1 25 GLY H 4.000 . 5.000 4.331 4.229 4.389 . 0 0 "[ . 1]" 1
703 1 25 GLY H 1 26 THR H 2.500 . 2.900 2.183 2.115 2.276 . 0 0 "[ . 1]" 1
704 1 24 ASP HA 1 25 GLY H 4.000 . 5.000 3.481 3.430 3.497 . 0 0 "[ . 1]" 1
705 1 25 GLY QA 1 26 THR H 4.000 . 5.000 2.919 2.914 2.923 . 0 0 "[ . 1]" 1
706 1 26 THR HA 1 27 ILE H 2.500 . 2.900 2.210 2.188 2.295 . 0 0 "[ . 1]" 1
707 1 26 THR HA 1 63 ILE H 4.000 . 5.000 3.771 3.472 4.278 . 0 0 "[ . 1]" 1
708 1 26 THR H 1 26 THR HB 4.000 . 5.000 3.853 3.314 3.961 . 0 0 "[ . 1]" 1
709 1 26 THR HB 1 27 ILE H 4.000 . 5.000 3.112 2.982 3.212 . 0 0 "[ . 1]" 1
710 1 26 THR HA 1 26 THR HB 3.000 . 3.500 2.472 2.313 2.903 . 0 0 "[ . 1]" 1
711 1 26 THR H 1 26 THR MG 3.000 . 4.500 2.991 2.536 3.888 . 0 0 "[ . 1]" 1
712 1 26 THR MG 1 27 ILE H 4.500 2.300 6.500 3.838 2.498 4.239 . 0 0 "[ . 1]" 1
713 1 26 THR H 1 27 ILE H 4.000 . 5.000 4.298 4.264 4.400 . 0 0 "[ . 1]" 1
714 1 27 ILE H 1 63 ILE H 3.000 . 4.000 2.675 2.324 2.999 . 0 0 "[ . 1]" 1
715 1 27 ILE H 1 27 ILE HB 4.000 . 5.000 2.662 2.435 2.927 . 0 0 "[ . 1]" 1
716 1 27 ILE HB 1 63 ILE H 4.000 . 5.000 4.085 3.603 4.521 . 0 0 "[ . 1]" 1
717 1 27 ILE MG 1 28 THR H 3.500 2.300 5.000 2.643 2.366 2.841 . 0 0 "[ . 1]" 1
718 1 27 ILE H 1 27 ILE MG 4.000 . 6.000 3.805 3.756 3.894 . 0 0 "[ . 1]" 1
719 1 27 ILE HA 1 27 ILE MG 3.000 . 4.500 2.263 2.122 2.387 . 0 0 "[ . 1]" 1
720 1 27 ILE MG 1 63 ILE HB 4.000 . 6.000 3.832 3.536 4.013 . 0 0 "[ . 1]" 1
721 1 27 ILE MG 1 32 LEU HA 3.500 2.300 5.000 3.600 3.257 3.825 . 0 0 "[ . 1]" 1
722 1 28 THR H 1 28 THR HA 3.000 . 3.500 2.951 2.941 2.958 . 0 0 "[ . 1]" 1
723 1 28 THR HA 1 29 THR H 2.500 . 2.900 2.502 2.456 2.529 . 0 0 "[ . 1]" 1
724 1 28 THR HA 1 30 LYS H 4.000 . 5.000 4.294 4.022 4.648 . 0 0 "[ . 1]" 1
725 1 28 THR HA 1 31 GLU H 4.000 . 5.500 4.721 4.553 4.799 . 0 0 "[ . 1]" 1
726 1 27 ILE HA 1 28 THR H 2.500 . 2.900 2.159 2.148 2.197 . 0 0 "[ . 1]" 1
727 1 28 THR MG 1 30 LYS H 4.500 2.300 6.500 4.007 2.671 4.560 . 0 0 "[ . 1]" 1
728 1 29 THR H 1 30 LYS H 3.000 . 3.500 2.521 2.439 2.711 . 0 0 "[ . 1]" 1
729 1 29 THR H 1 29 THR HA 3.000 . 4.000 2.860 2.811 2.885 . 0 0 "[ . 1]" 1
730 1 29 THR HA 1 32 LEU H 4.000 . 5.000 3.256 3.064 3.435 . 0 0 "[ . 1]" 1
731 1 28 THR HB 1 29 THR H 4.000 . 5.000 2.535 2.182 3.552 . 0 0 "[ . 1]" 1
732 1 29 THR MG 1 49 GLN H 4.000 2.800 5.500 4.003 3.034 4.481 . 0 0 "[ . 1]" 1
733 1 29 THR MG 1 30 LYS H 4.000 2.800 6.000 3.815 2.689 4.232 0.111 2 0 "[ . 1]" 1
734 1 29 THR MG 1 52 ILE H 4.000 2.800 6.500 3.878 3.145 4.948 . 0 0 "[ . 1]" 1
735 1 29 THR H 1 29 THR HB 4.000 . 5.000 2.955 2.647 3.578 . 0 0 "[ . 1]" 1
736 1 29 THR H 1 29 THR MG 3.000 . 4.500 3.181 1.610 3.758 0.190 2 0 "[ . 1]" 1
737 1 30 LYS H 1 30 LYS HA 3.000 . 4.500 2.847 2.783 2.893 . 0 0 "[ . 1]" 1
738 1 30 LYS HA 1 33 GLY H 3.500 2.300 4.500 4.090 3.722 4.213 . 0 0 "[ . 1]" 1
739 1 29 THR H 1 30 LYS QB 4.500 2.300 6.000 4.391 4.150 4.857 . 0 0 "[ . 1]" 1
740 1 30 LYS H 1 30 LYS QB 3.000 . 4.000 2.311 2.139 2.585 . 0 0 "[ . 1]" 1
741 1 31 GLU H 1 32 LEU H 4.000 . 5.000 2.355 2.304 2.520 . 0 0 "[ . 1]" 1
742 1 32 LEU H 1 32 LEU HA 3.000 . 3.500 2.832 2.820 2.862 . 0 0 "[ . 1]" 1
743 1 32 LEU HA 1 35 VAL H 4.000 . 5.000 3.588 3.460 3.768 . 0 0 "[ . 1]" 1
744 1 32 LEU H 1 32 LEU QB 3.000 . 4.000 2.168 2.072 2.254 . 0 0 "[ . 1]" 1
745 1 32 LEU QB 1 33 GLY H 3.000 . 4.000 2.242 2.111 2.815 . 0 0 "[ . 1]" 1
746 1 32 LEU H 1 32 LEU MD2 3.500 2.300 5.000 4.003 3.364 4.285 . 0 0 "[ . 1]" 1
747 1 31 GLU H 1 33 GLY H 4.000 . 5.000 4.372 3.830 4.511 . 0 0 "[ . 1]" 1
748 1 32 LEU H 1 33 GLY H 3.000 . 3.500 2.804 2.489 2.850 . 0 0 "[ . 1]" 1
749 1 33 GLY H 1 34 THR H 3.000 . 3.500 2.892 2.685 3.017 . 0 0 "[ . 1]" 1
750 1 33 GLY H 1 48 LEU MD1 4.000 . 6.000 3.305 2.443 4.066 . 0 0 "[ . 1]" 1
751 1 33 GLY H 1 48 LEU MD2 4.000 . 6.000 2.746 1.796 4.367 0.004 6 0 "[ . 1]" 1
752 1 33 GLY QA 1 34 THR H 4.000 . 5.500 2.640 2.601 2.691 . 0 0 "[ . 1]" 1
753 1 34 THR H 1 34 THR HA 3.000 . 3.500 2.757 2.730 2.779 . 0 0 "[ . 1]" 1
754 1 33 GLY H 1 34 THR HB 5.000 2.800 6.000 5.246 4.925 6.063 0.063 1 0 "[ . 1]" 1
755 1 34 THR H 1 34 THR HB 3.000 . 3.500 2.779 2.492 3.463 . 0 0 "[ . 1]" 1
756 1 34 THR HB 1 35 VAL H 3.000 . 3.500 2.699 2.540 3.220 . 0 0 "[ . 1]" 1
757 1 34 THR H 1 34 THR MG 3.000 . 4.500 3.624 2.842 3.753 . 0 0 "[ . 1]" 1
758 1 34 THR MG 1 35 VAL H 4.000 . 6.000 3.689 3.346 4.182 . 0 0 "[ . 1]" 1
759 1 33 GLY H 1 35 VAL H 4.000 . 5.000 4.244 3.978 4.331 . 0 0 "[ . 1]" 1
760 1 34 THR H 1 35 VAL H 3.000 . 3.500 2.832 2.743 2.916 . 0 0 "[ . 1]" 1
761 1 35 VAL H 1 36 MET H 3.000 . 3.500 2.699 2.527 2.847 . 0 0 "[ . 1]" 1
762 1 34 THR HA 1 35 VAL H 4.000 . 5.000 3.537 3.510 3.551 . 0 0 "[ . 1]" 1
763 1 35 VAL HA 1 36 MET H 4.000 . 5.000 3.559 3.533 3.576 . 0 0 "[ . 1]" 1
764 1 35 VAL H 1 35 VAL HB 3.000 . 3.500 2.441 2.367 2.544 . 0 0 "[ . 1]" 1
765 1 35 VAL H 1 35 VAL MG2 3.000 . 4.500 2.228 2.062 2.386 . 0 0 "[ . 1]" 1
766 1 35 VAL MG2 1 36 MET H 4.000 . 6.000 3.847 3.711 3.948 . 0 0 "[ . 1]" 1
767 1 35 VAL H 1 35 VAL MG1 3.500 2.300 5.500 3.736 3.720 3.750 . 0 0 "[ . 1]" 1
768 1 35 VAL MG1 1 36 MET H 4.000 . 6.000 3.241 2.978 3.507 . 0 0 "[ . 1]" 1
769 1 36 MET H 1 36 MET QB 3.000 . 4.000 2.269 2.060 2.524 . 0 0 "[ . 1]" 1
770 1 36 MET H 1 36 MET HA 3.000 . 3.500 2.838 2.801 2.883 . 0 0 "[ . 1]" 1
771 1 36 MET H 1 36 MET QG 3.000 . 4.000 2.867 1.959 3.882 . 0 0 "[ . 1]" 1
772 1 37 ARG H 1 38 SER H 3.000 . 3.500 2.617 2.492 2.803 . 0 0 "[ . 1]" 1
773 1 34 THR HA 1 37 ARG H 4.000 . 5.000 3.488 3.375 3.823 . 0 0 "[ . 1]" 1
774 1 38 SER H 1 39 LEU H 2.500 . 2.900 2.354 2.325 2.380 . 0 0 "[ . 1]" 1
775 1 39 LEU H 1 40 GLY H 2.500 . 2.900 2.613 2.577 2.661 . 0 0 "[ . 1]" 1
776 1 39 LEU H 1 41 GLN H 4.000 . 5.000 3.286 3.227 3.346 . 0 0 "[ . 1]" 1
777 1 39 LEU H 1 39 LEU HA 3.000 . 3.500 2.915 2.890 2.929 . 0 0 "[ . 1]" 1
778 1 39 LEU QB 1 40 GLY H 4.000 . 5.500 3.585 3.470 3.636 . 0 0 "[ . 1]" 1
779 1 39 LEU H 1 39 LEU QB 3.000 . 4.000 2.332 2.103 2.582 . 0 0 "[ . 1]" 1
780 1 39 LEU QB 1 39 LEU MD1 3.000 . 5.000 2.129 2.031 2.323 . 0 0 "[ . 1]" 1
781 1 39 LEU H 1 39 LEU MD1 4.000 . 6.000 3.188 2.204 3.794 . 0 0 "[ . 1]" 1
782 1 39 LEU H 1 39 LEU MD2 4.000 . 6.000 3.760 3.224 4.060 . 0 0 "[ . 1]" 1
783 1 41 GLN H 1 41 GLN HA 3.000 . 3.500 2.943 2.923 2.949 . 0 0 "[ . 1]" 1
784 1 41 GLN H 1 41 GLN QB 3.000 . 4.000 2.305 2.200 2.474 . 0 0 "[ . 1]" 1
785 1 41 GLN QB 1 42 ASN H 4.000 . 5.500 3.014 2.721 3.511 . 0 0 "[ . 1]" 1
786 1 41 GLN H 1 42 ASN H 4.000 . 5.000 4.557 4.541 4.590 . 0 0 "[ . 1]" 1
787 1 44 THR HA 1 45 GLU H 2.500 . 2.900 2.350 2.254 2.458 . 0 0 "[ . 1]" 1
788 1 44 THR H 1 44 THR HB 4.000 . 5.000 3.186 2.524 3.673 . 0 0 "[ . 1]" 1
789 1 44 THR H 1 44 THR MG 3.000 . 4.500 3.014 2.008 3.800 . 0 0 "[ . 1]" 1
790 1 45 GLU H 1 46 ALA H 3.000 . 3.500 2.773 2.601 2.939 . 0 0 "[ . 1]" 1
791 1 45 GLU H 1 45 GLU HA 3.000 . 3.500 2.779 2.736 2.837 . 0 0 "[ . 1]" 1
792 1 45 GLU H 1 45 GLU QB 3.000 . 4.000 2.405 2.186 2.662 . 0 0 "[ . 1]" 1
793 1 45 GLU QB 1 46 ALA H 3.000 . 4.000 2.664 2.366 3.010 . 0 0 "[ . 1]" 1
794 1 45 GLU H 1 45 GLU QG 4.000 . 5.500 2.793 1.868 3.946 . 0 0 "[ . 1]" 1
795 1 45 GLU QG 1 46 ALA H 4.000 . 5.500 3.970 3.446 4.702 . 0 0 "[ . 1]" 1
796 1 46 ALA H 1 47 GLU H 3.000 . 3.500 2.519 2.330 2.772 . 0 0 "[ . 1]" 1
797 1 46 ALA H 1 46 ALA HA 3.000 . 3.500 2.855 2.774 2.903 . 0 0 "[ . 1]" 1
798 1 46 ALA H 1 46 ALA MB 3.000 . 4.500 2.182 2.131 2.254 . 0 0 "[ . 1]" 1
799 1 46 ALA MB 1 47 GLU H 3.000 . 4.500 2.779 2.461 2.960 . 0 0 "[ . 1]" 1
800 1 47 GLU H 1 47 GLU HA 3.000 . 3.500 2.865 2.786 2.899 . 0 0 "[ . 1]" 1
801 1 47 GLU H 1 47 GLU QB 3.000 . 4.000 2.244 2.132 2.511 . 0 0 "[ . 1]" 1
802 1 48 LEU H 1 48 LEU HA 3.000 . 3.500 2.779 2.761 2.848 . 0 0 "[ . 1]" 1
803 1 48 LEU H 1 48 LEU MD1 4.000 . 6.000 3.513 3.136 4.145 . 0 0 "[ . 1]" 1
804 1 33 GLY HA3 1 48 LEU MD2 3.000 . 4.500 2.622 1.971 3.456 . 0 0 "[ . 1]" 1
805 1 33 GLY HA2 1 48 LEU MD1 3.000 . 4.500 2.742 2.144 3.471 . 0 0 "[ . 1]" 1
806 1 48 LEU H 1 48 LEU MD2 4.000 . 6.000 3.632 2.079 4.331 . 0 0 "[ . 1]" 1
807 1 49 GLN H 1 49 GLN HA 3.000 . 3.500 2.795 2.746 2.879 . 0 0 "[ . 1]" 1
808 1 49 GLN HA 1 53 ASN H 4.000 . 5.000 4.397 3.555 5.006 0.006 1 0 "[ . 1]" 1
809 1 49 GLN H 1 49 GLN QB 3.000 . 3.500 2.251 2.172 2.376 . 0 0 "[ . 1]" 1
810 1 49 GLN H 1 49 GLN QG 4.000 . 5.000 3.500 2.350 4.056 . 0 0 "[ . 1]" 1
811 1 50 ASP H 1 51 MET H 3.000 . 3.500 2.575 2.467 2.758 . 0 0 "[ . 1]" 1
812 1 50 ASP H 1 50 ASP HA 3.000 . 3.500 2.835 2.771 2.870 . 0 0 "[ . 1]" 1
813 1 50 ASP H 1 50 ASP QB 3.000 . 4.000 2.256 2.127 2.602 . 0 0 "[ . 1]" 1
814 1 51 MET H 1 51 MET QB 3.000 . 4.000 2.237 2.178 2.316 . 0 0 "[ . 1]" 1
815 1 50 ASP HA 1 51 MET H 3.000 . 3.500 3.475 3.415 3.504 0.004 8 0 "[ . 1]" 1
816 1 52 ILE H 1 52 ILE HA 3.000 . 3.500 2.766 2.755 2.807 . 0 0 "[ . 1]" 1
817 1 52 ILE HA 1 53 ASN H 4.000 . 5.000 3.550 3.507 3.572 . 0 0 "[ . 1]" 1
818 1 52 ILE H 1 52 ILE HB 3.000 . 3.500 2.384 2.184 2.584 . 0 0 "[ . 1]" 1
819 1 52 ILE HB 1 53 ASN H 3.000 . 3.500 2.782 2.345 3.702 0.202 10 0 "[ . 1]" 1
820 1 52 ILE H 1 52 ILE QG 3.000 . 4.000 2.626 1.917 3.817 . 0 0 "[ . 1]" 1
821 1 52 ILE QG 1 53 ASN H 4.000 . 5.500 4.140 3.888 4.474 . 0 0 "[ . 1]" 1
822 1 52 ILE H 1 52 ILE MG 3.000 . 4.500 3.524 2.686 3.750 . 0 0 "[ . 1]" 1
823 1 52 ILE MG 1 53 ASN H 4.000 . 5.500 2.879 1.851 3.284 . 0 0 "[ . 1]" 1
824 1 52 ILE H 1 53 ASN H 3.000 . 3.500 2.845 2.663 2.945 . 0 0 "[ . 1]" 1
825 1 53 ASN H 1 54 GLU H 3.000 . 3.500 2.831 2.579 2.978 . 0 0 "[ . 1]" 1
826 1 53 ASN H 1 55 VAL H 4.000 . 5.000 4.270 4.046 4.465 . 0 0 "[ . 1]" 1
827 1 53 ASN H 1 53 ASN HA 3.000 . 3.500 2.777 2.727 2.846 . 0 0 "[ . 1]" 1
828 1 50 ASP HA 1 53 ASN H 4.000 . 5.000 3.730 3.444 4.170 . 0 0 "[ . 1]" 1
829 1 53 ASN H 1 53 ASN QB 3.000 . 4.000 2.299 2.127 2.471 . 0 0 "[ . 1]" 1
830 1 53 ASN QB 1 54 GLU H 4.000 . 5.500 2.457 2.330 2.623 . 0 0 "[ . 1]" 1
831 1 54 GLU H 1 55 VAL H 3.000 . 3.500 2.821 2.760 2.901 . 0 0 "[ . 1]" 1
832 1 54 GLU H 1 54 GLU HA 3.000 . 3.500 2.770 2.766 2.800 . 0 0 "[ . 1]" 1
833 1 54 GLU HA 1 55 VAL H 4.000 . 5.000 3.535 3.485 3.567 . 0 0 "[ . 1]" 1
834 1 54 GLU H 1 54 GLU QB 3.000 . 4.000 2.232 2.050 2.445 . 0 0 "[ . 1]" 1
835 1 54 GLU H 1 54 GLU QG 3.000 . 4.000 2.865 2.157 3.871 . 0 0 "[ . 1]" 1
836 1 55 VAL H 1 56 ASP H 2.500 . 2.900 2.283 2.171 2.530 . 0 0 "[ . 1]" 1
837 1 52 ILE HA 1 55 VAL H 4.000 . 5.000 3.493 3.352 3.726 . 0 0 "[ . 1]" 1
838 1 55 VAL MG2 1 68 PHE HA 3.500 2.300 5.500 4.531 4.419 4.760 . 0 0 "[ . 1]" 1
839 1 52 ILE HA 1 55 VAL MG2 4.000 . 6.000 2.890 2.172 3.528 . 0 0 "[ . 1]" 1
840 1 55 VAL HA 1 56 ASP H 4.000 2.800 4.500 3.409 3.278 3.488 . 0 0 "[ . 1]" 1
841 1 55 VAL H 1 55 VAL HA 3.000 . 3.500 2.918 2.893 2.934 . 0 0 "[ . 1]" 1
842 1 55 VAL H 1 55 VAL HB 4.000 . 5.000 2.896 2.495 3.650 . 0 0 "[ . 1]" 1
843 1 55 VAL HB 1 56 ASP H 4.000 . 5.000 3.437 2.963 4.229 . 0 0 "[ . 1]" 1
844 1 55 VAL MG1 1 71 MET H 5.000 2.800 7.000 4.490 3.888 5.677 . 0 0 "[ . 1]" 1
845 1 54 GLU H 1 55 VAL MG2 4.000 . 6.000 4.118 3.536 4.477 . 0 0 "[ . 1]" 1
846 1 55 VAL H 1 55 VAL MG1 3.000 . 5.000 3.390 1.963 3.804 . 0 0 "[ . 1]" 1
847 1 55 VAL H 1 55 VAL MG2 3.000 . 5.000 2.179 1.613 2.573 0.187 7 0 "[ . 1]" 1
848 1 55 VAL MG2 1 56 ASP H 3.500 2.300 5.500 3.456 2.198 4.021 0.102 10 0 "[ . 1]" 1
849 1 54 GLU H 1 56 ASP H 4.000 . 5.000 3.837 3.726 3.985 . 0 0 "[ . 1]" 1
850 1 56 ASP H 1 56 ASP HA 3.000 . 3.500 2.948 2.927 2.954 . 0 0 "[ . 1]" 1
851 1 56 ASP HA 1 57 ALA H 2.500 . 2.900 2.254 2.155 2.352 . 0 0 "[ . 1]" 1
852 1 55 VAL H 1 56 ASP QB 4.000 . 5.500 4.046 3.914 4.225 . 0 0 "[ . 1]" 1
853 1 56 ASP H 1 56 ASP QB 3.000 . 4.000 2.363 2.202 2.430 . 0 0 "[ . 1]" 1
854 1 57 ALA H 1 57 ALA HA 3.000 . 3.500 2.889 2.851 2.902 . 0 0 "[ . 1]" 1
855 1 57 ALA HA 1 58 ASP H 4.000 . 5.000 3.488 3.424 3.555 . 0 0 "[ . 1]" 1
856 1 57 ALA H 1 57 ALA MB 3.000 . 4.500 2.222 2.076 2.276 . 0 0 "[ . 1]" 1
857 1 57 ALA MB 1 58 ASP H 4.000 . 6.000 2.773 2.445 2.978 . 0 0 "[ . 1]" 1
858 1 57 ALA MB 1 58 ASP HA 4.000 . 6.000 3.899 3.792 4.022 . 0 0 "[ . 1]" 1
859 1 57 ALA H 1 58 ASP H 2.500 . 2.900 2.407 2.348 2.534 . 0 0 "[ . 1]" 1
860 1 58 ASP H 1 59 GLY H 2.500 . 2.900 2.381 2.157 2.489 . 0 0 "[ . 1]" 1
861 1 58 ASP H 1 58 ASP HA 3.000 . 3.500 2.906 2.880 2.948 . 0 0 "[ . 1]" 1
862 1 58 ASP H 1 58 ASP QB 3.000 . 4.500 2.742 2.556 2.944 . 0 0 "[ . 1]" 1
863 1 58 ASP QB 1 59 GLY H 4.000 . 5.500 3.389 3.204 3.754 . 0 0 "[ . 1]" 1
864 1 59 GLY H 1 60 ASP H 2.500 . 2.900 2.790 2.692 2.891 . 0 0 "[ . 1]" 1
865 1 60 ASP H 1 61 GLY H 2.500 . 2.900 2.449 2.265 2.690 . 0 0 "[ . 1]" 1
866 1 60 ASP HA 1 61 GLY H 4.000 . 5.000 3.416 3.348 3.471 . 0 0 "[ . 1]" 1
867 1 60 ASP H 1 60 ASP QB 3.000 . 4.000 2.730 2.494 2.911 . 0 0 "[ . 1]" 1
868 1 60 ASP QB 1 61 GLY H 4.000 . 5.000 3.586 3.348 3.767 . 0 0 "[ . 1]" 1
869 1 61 GLY H 1 62 THR H 2.500 . 2.900 2.281 2.044 2.484 . 0 0 "[ . 1]" 1
870 1 61 GLY QA 1 62 THR H 3.000 . 4.000 2.900 2.810 2.923 . 0 0 "[ . 1]" 1
871 1 62 THR H 1 62 THR HA 3.000 . 3.500 2.938 2.912 2.957 . 0 0 "[ . 1]" 1
872 1 62 THR HA 1 63 ILE H 2.500 . 2.900 2.450 2.278 2.567 . 0 0 "[ . 1]" 1
873 1 62 THR H 1 62 THR HB 4.000 . 5.000 3.677 3.505 3.902 . 0 0 "[ . 1]" 1
874 1 62 THR HB 1 63 ILE H 3.000 . 3.700 2.481 2.109 2.950 . 0 0 "[ . 1]" 1
875 1 62 THR MG 1 63 ILE H 4.000 . 6.000 3.143 2.670 3.881 . 0 0 "[ . 1]" 1
876 1 62 THR H 1 62 THR MG 4.000 . 6.000 3.399 2.456 3.677 . 0 0 "[ . 1]" 1
877 1 62 THR H 1 63 ILE H 4.000 . 5.000 4.409 4.361 4.459 . 0 0 "[ . 1]" 1
878 1 62 THR H 1 63 ILE HA 4.500 2.300 5.500 4.752 4.668 4.847 . 0 0 "[ . 1]" 1
879 1 63 ILE HA 1 64 ASP H 2.500 . 2.900 2.189 2.148 2.213 . 0 0 "[ . 1]" 1
880 1 27 ILE H 1 63 ILE HB 4.000 . 5.000 2.173 1.719 2.733 0.081 7 0 "[ . 1]" 1
881 1 63 ILE H 1 63 ILE HB 4.000 . 5.000 2.533 2.380 2.646 . 0 0 "[ . 1]" 1
882 1 63 ILE HB 1 64 ASP H 3.500 2.300 4.500 4.202 4.000 4.439 . 0 0 "[ . 1]" 1
883 1 63 ILE H 1 63 ILE MD 4.000 . 6.000 3.664 2.563 4.041 . 0 0 "[ . 1]" 1
884 1 63 ILE H 1 63 ILE MG 3.500 . 5.500 3.787 3.638 3.851 . 0 0 "[ . 1]" 1
885 1 63 ILE MG 1 64 ASP H 3.000 . 4.500 2.535 2.244 3.119 . 0 0 "[ . 1]" 1
886 1 26 THR HB 1 63 ILE H 4.000 . 5.000 2.944 2.309 4.094 . 0 0 "[ . 1]" 1
887 1 64 ASP H 1 68 PHE H 4.000 . 5.000 4.330 3.358 5.253 0.253 8 0 "[ . 1]" 1
888 1 64 ASP H 1 67 GLU H 4.000 . 5.000 4.218 3.562 4.880 . 0 0 "[ . 1]" 1
889 1 16 PHE HZ 1 64 ASP HA 4.000 . 5.500 4.135 3.258 4.948 . 0 0 "[ . 1]" 1
890 1 16 PHE HE1 1 64 ASP HA 4.000 . 5.000 4.748 3.799 5.168 0.168 10 0 "[ . 1]" 1
891 1 26 THR MG 1 64 ASP HA 4.000 . 5.000 3.117 2.281 3.912 . 0 0 "[ . 1]" 1
892 1 26 THR HB 1 64 ASP HA 4.000 . 5.000 4.636 4.099 5.078 0.078 2 0 "[ . 1]" 1
893 1 64 ASP H 1 64 ASP QB 3.000 . 4.000 2.749 2.610 2.945 . 0 0 "[ . 1]" 1
894 1 64 ASP QB 1 65 PHE H 3.000 . 4.000 2.380 1.954 2.921 . 0 0 "[ . 1]" 1
895 1 64 ASP HA 1 65 PHE H 2.500 . 2.900 2.509 2.253 2.685 . 0 0 "[ . 1]" 1
896 1 65 PHE H 1 65 PHE QB 3.000 . 4.000 2.132 2.065 2.179 . 0 0 "[ . 1]" 1
897 1 67 GLU H 1 68 PHE H 3.000 . 3.500 2.423 2.205 2.695 . 0 0 "[ . 1]" 1
898 1 68 PHE H 1 69 LEU H 3.000 . 3.500 2.535 2.346 2.804 . 0 0 "[ . 1]" 1
899 1 68 PHE H 1 68 PHE HA 3.000 . 3.500 2.844 2.744 2.901 . 0 0 "[ . 1]" 1
900 1 68 PHE HA 1 69 LEU H 4.000 . 5.000 3.492 3.469 3.537 . 0 0 "[ . 1]" 1
901 1 69 LEU H 1 70 THR H 3.000 . 3.500 2.362 2.317 2.417 . 0 0 "[ . 1]" 1
902 1 69 LEU HA 1 72 MET H 4.000 . 5.000 3.598 3.439 3.734 . 0 0 "[ . 1]" 1
903 1 69 LEU H 1 69 LEU QB 3.000 . 4.000 2.199 2.101 2.418 . 0 0 "[ . 1]" 1
904 1 69 LEU H 1 69 LEU HG 3.500 . 4.000 3.441 2.371 4.077 0.077 1 0 "[ . 1]" 1
905 1 70 THR H 1 71 MET H 3.000 . 3.500 2.750 2.517 2.934 . 0 0 "[ . 1]" 1
906 1 69 LEU HA 1 70 THR H 4.000 . 5.000 3.536 3.499 3.557 . 0 0 "[ . 1]" 1
907 1 69 LEU QB 1 70 THR H 3.000 . 6.000 2.668 2.583 2.818 . 0 0 "[ . 1]" 1
908 1 70 THR H 1 70 THR HA 3.000 . 3.500 2.815 2.771 2.862 . 0 0 "[ . 1]" 1
909 1 70 THR HA 1 71 MET H 4.000 . 5.000 3.556 3.524 3.574 . 0 0 "[ . 1]" 1
910 1 70 THR HA 1 73 ALA H 4.000 . 5.000 3.378 3.137 3.533 . 0 0 "[ . 1]" 1
911 1 70 THR H 1 70 THR HB 3.000 . 3.500 2.754 2.236 3.580 0.080 10 0 "[ . 1]" 1
912 1 70 THR HB 1 71 MET H 3.000 . 3.500 2.926 2.258 3.628 0.128 8 0 "[ . 1]" 1
913 1 70 THR H 1 70 THR MG 4.000 . 6.000 3.127 2.226 3.746 . 0 0 "[ . 1]" 1
914 1 70 THR MG 1 71 MET H 4.000 . 6.000 3.111 1.657 4.140 0.143 2 0 "[ . 1]" 1
915 1 71 MET H 1 72 MET H 3.000 . 3.500 2.839 2.654 2.933 . 0 0 "[ . 1]" 1
916 1 71 MET H 1 73 ALA H 4.000 . 5.000 4.238 4.014 4.370 . 0 0 "[ . 1]" 1
917 1 71 MET H 1 71 MET HA 3.000 . 3.500 2.768 2.750 2.815 . 0 0 "[ . 1]" 1
918 1 71 MET HA 1 72 MET H 4.000 . 5.000 3.551 3.518 3.566 . 0 0 "[ . 1]" 1
919 1 71 MET HA 1 73 ALA H 4.000 . 5.000 4.849 4.547 5.002 0.002 2 0 "[ . 1]" 1
920 1 71 MET H 1 71 MET QB 3.000 . 4.500 2.227 2.085 2.262 . 0 0 "[ . 1]" 1
921 1 72 MET H 1 73 ALA H 3.000 . 3.500 2.500 2.303 2.617 . 0 0 "[ . 1]" 1
922 1 72 MET H 1 72 MET HA 3.000 . 3.500 2.885 2.863 2.919 . 0 0 "[ . 1]" 1
923 1 72 MET HA 1 73 ALA H 4.000 . 5.000 3.554 3.521 3.567 . 0 0 "[ . 1]" 1
924 1 73 ALA H 1 73 ALA HA 3.000 . 3.500 2.813 2.775 2.875 . 0 0 "[ . 1]" 1
925 1 73 ALA H 1 73 ALA MB 3.000 . 4.500 2.213 2.104 2.243 . 0 0 "[ . 1]" 1
926 1 76 MET H 1 77 LYS H 3.000 . 3.500 2.557 2.352 2.766 . 0 0 "[ . 1]" 1
927 1 77 LYS H 1 77 LYS HA 3.000 . 3.500 2.938 2.857 2.958 . 0 0 "[ . 1]" 1
928 1 77 LYS H 1 77 LYS QB 3.000 . 4.000 2.400 2.236 2.496 . 0 0 "[ . 1]" 1
929 1 77 LYS H 1 77 LYS QG 4.000 . 6.000 3.368 2.549 4.046 . 0 0 "[ . 1]" 1
930 1 77 LYS H 1 78 ASP H 3.000 . 3.500 2.922 2.471 3.262 . 0 0 "[ . 1]" 1
931 1 78 ASP H 1 79 THR H 4.000 . 5.000 4.343 4.259 4.384 . 0 0 "[ . 1]" 1
932 1 78 ASP H 1 78 ASP QB 3.000 . 4.000 2.976 2.730 3.357 . 0 0 "[ . 1]" 1
933 1 79 THR H 1 80 ASP H 4.000 . 5.000 4.620 4.594 4.630 . 0 0 "[ . 1]" 1
934 1 80 ASP H 1 81 SER H 3.500 2.300 4.500 4.467 4.445 4.513 0.013 3 0 "[ . 1]" 1
935 1 78 ASP HA 1 79 THR H 3.500 2.300 4.000 2.652 2.443 2.825 . 0 0 "[ . 1]" 1
936 1 79 THR H 1 79 THR HA 3.000 . 3.500 2.873 2.862 2.915 . 0 0 "[ . 1]" 1
937 1 79 THR HA 1 80 ASP H 4.000 . 5.000 2.368 2.322 2.409 . 0 0 "[ . 1]" 1
938 1 79 THR HB 1 80 ASP H 4.000 . 5.000 3.227 2.481 3.977 . 0 0 "[ . 1]" 1
939 1 79 THR H 1 79 THR HB 4.000 . 5.000 3.098 2.516 3.601 . 0 0 "[ . 1]" 1
940 1 79 THR H 1 79 THR MG 3.000 . 4.500 2.174 1.661 3.657 0.139 10 0 "[ . 1]" 1
941 1 79 THR MG 1 80 ASP H 4.000 . 6.000 3.480 1.810 3.893 . 0 0 "[ . 1]" 1
942 1 80 ASP QB 1 81 SER H 3.500 2.300 5.000 2.862 2.460 3.484 . 0 0 "[ . 1]" 1
943 1 81 SER H 1 81 SER QB 3.000 . 4.000 2.714 2.376 3.044 . 0 0 "[ . 1]" 1
944 1 81 SER H 1 81 SER HA 2.500 . 3.000 2.956 2.949 2.959 . 0 0 "[ . 1]" 1
945 1 82 GLU H 1 82 GLU QB 3.000 . 4.000 2.527 2.202 2.809 . 0 0 "[ . 1]" 1
946 1 82 GLU H 1 82 GLU QG 4.000 . 5.000 2.279 1.717 3.892 0.083 1 0 "[ . 1]" 1
947 1 85 ILE HA 1 88 ALA H 4.000 . 5.000 4.140 3.945 4.325 . 0 0 "[ . 1]" 1
948 1 85 ILE H 1 85 ILE HB 3.000 . 3.500 2.576 2.237 3.599 0.099 2 0 "[ . 1]" 1
949 1 85 ILE HB 1 86 ARG H 3.000 . 3.500 3.087 2.778 3.788 0.288 2 0 "[ . 1]" 1
950 1 85 ILE H 1 85 ILE HA 3.000 . 3.500 2.797 2.724 2.901 . 0 0 "[ . 1]" 1
951 1 85 ILE H 1 85 ILE MD 3.000 . 4.500 3.517 3.264 3.681 . 0 0 "[ . 1]" 1
952 1 85 ILE H 1 85 ILE MG 3.000 . 4.500 3.574 2.387 3.747 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 23
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 15.024
_Distance_constraint_stats_list.Viol_max 0.269
_Distance_constraint_stats_list.Viol_rms 0.0263
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0485
_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 56 ASP 0.103 0.060 7 0 "[ . 1]"
1 57 ALA 0.034 0.034 2 0 "[ . 1]"
1 58 ASP 0.083 0.028 4 0 "[ . 1]"
1 60 ASP 0.032 0.032 5 0 "[ . 1]"
1 61 GLY 0.021 0.021 3 0 "[ . 1]"
1 62 THR 0.253 0.121 8 0 "[ . 1]"
1 64 ASP 0.353 0.099 2 0 "[ . 1]"
1 67 GLU 0.622 0.269 1 0 "[ . 1]"
5 1 TB 1.502 0.269 1 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 58 ASP OD2 5 1 TB TB 3.000 . 3.500 3.116 2.723 3.510 0.010 3 0 "[ . 1]" 2
2 1 58 ASP OD1 5 1 TB TB 4.000 3.000 6.000 4.716 3.379 5.576 . 0 0 "[ . 1]" 2
3 1 60 ASP OD1 5 1 TB TB 2.500 . 3.200 2.807 2.427 3.149 . 0 0 "[ . 1]" 2
4 1 60 ASP OD2 5 1 TB TB 2.500 . 3.200 2.866 2.425 3.232 0.032 5 0 "[ . 1]" 2
5 1 67 GLU OE1 5 1 TB TB 2.500 . 3.200 3.084 2.592 3.469 0.269 1 0 "[ . 1]" 2
6 1 67 GLU OE2 5 1 TB TB 2.500 . 3.200 2.948 2.494 3.328 0.128 9 0 "[ . 1]" 2
7 1 64 ASP OD2 5 1 TB TB 4.000 . 6.000 3.317 2.424 5.435 . 0 0 "[ . 1]" 2
8 1 64 ASP OD1 5 1 TB TB 3.000 . 4.000 3.220 2.476 4.052 0.052 1 0 "[ . 1]" 2
9 1 56 ASP OD1 5 1 TB TB 3.000 . 3.500 3.218 2.717 3.560 0.060 7 0 "[ . 1]" 2
10 1 56 ASP OD2 5 1 TB TB 4.000 3.000 6.000 4.266 2.994 5.068 0.006 10 0 "[ . 1]" 2
11 1 62 THR O 5 1 TB TB 2.500 . 3.200 2.940 2.424 3.321 0.121 8 0 "[ . 1]" 2
12 1 56 ASP HA 5 1 TB TB 4.000 . 5.500 3.780 2.655 4.878 . 0 0 "[ . 1]" 2
13 1 57 ALA H 5 1 TB TB 4.000 . 5.500 4.644 3.905 5.534 0.034 2 0 "[ . 1]" 2
14 1 58 ASP H 5 1 TB TB 4.000 . 5.500 4.067 3.358 4.947 . 0 0 "[ . 1]" 2
15 1 58 ASP HB3 5 1 TB TB 4.000 . 5.500 5.213 4.144 5.528 0.028 4 0 "[ . 1]" 2
16 1 60 ASP H 5 1 TB TB 4.000 . 5.500 4.119 3.721 4.800 . 0 0 "[ . 1]" 2
17 1 61 GLY H 5 1 TB TB 4.000 . 5.500 5.155 4.753 5.521 0.021 3 0 "[ . 1]" 2
18 1 60 ASP HB3 5 1 TB TB 4.000 . 5.500 4.686 4.140 5.377 . 0 0 "[ . 1]" 2
19 1 60 ASP HB2 5 1 TB TB 4.000 . 5.500 4.909 3.709 5.486 . 0 0 "[ . 1]" 2
20 1 62 THR H 5 1 TB TB 4.000 . 5.500 4.342 3.945 4.949 . 0 0 "[ . 1]" 2
21 1 62 THR HG1 5 1 TB TB 4.000 . 5.500 4.797 4.014 5.471 . 0 0 "[ . 1]" 2
22 1 64 ASP H 5 1 TB TB 4.000 . 5.500 3.605 2.690 4.912 . 0 0 "[ . 1]" 2
23 1 64 ASP HB3 5 1 TB TB 4.000 . 5.500 5.377 4.789 5.599 0.099 2 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 130
_Distance_constraint_stats_list.Viol_count 139
_Distance_constraint_stats_list.Viol_total 114.408
_Distance_constraint_stats_list.Viol_max 0.375
_Distance_constraint_stats_list.Viol_rms 0.0343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0823
_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 6 GLU 0.000 0.000 . 0 "[ . 1]"
1 7 GLU 0.019 0.017 9 0 "[ . 1]"
1 8 GLN 0.000 0.000 . 0 "[ . 1]"
1 9 ILE 0.000 0.000 . 0 "[ . 1]"
1 10 ALA 0.020 0.018 2 0 "[ . 1]"
1 11 GLU 1.176 0.250 9 0 "[ . 1]"
1 12 PHE 0.077 0.073 8 0 "[ . 1]"
1 13 LYS 0.000 0.000 5 0 "[ . 1]"
1 14 GLU 0.064 0.044 5 0 "[ . 1]"
1 15 ALA 1.235 0.250 9 0 "[ . 1]"
1 16 PHE 0.077 0.073 8 0 "[ . 1]"
1 17 SER 0.000 0.000 5 0 "[ . 1]"
1 18 LEU 0.044 0.044 5 0 "[ . 1]"
1 19 PHE 0.078 0.040 2 0 "[ . 1]"
1 27 ILE 0.406 0.137 7 0 "[ . 1]"
1 28 THR 0.000 0.000 . 0 "[ . 1]"
1 29 THR 0.000 0.000 . 0 "[ . 1]"
1 30 LYS 0.595 0.108 3 0 "[ . 1]"
1 31 GLU 0.055 0.040 10 0 "[ . 1]"
1 32 LEU 0.000 0.000 . 0 "[ . 1]"
1 33 GLY 0.000 0.000 . 0 "[ . 1]"
1 34 THR 0.786 0.108 3 0 "[ . 1]"
1 35 VAL 1.006 0.202 3 0 "[ . 1]"
1 36 MET 0.000 0.000 . 0 "[ . 1]"
1 37 ARG 0.000 0.000 . 0 "[ . 1]"
1 38 SER 0.191 0.102 2 0 "[ . 1]"
1 39 LEU 0.952 0.202 3 0 "[ . 1]"
1 44 THR 0.000 0.000 . 0 "[ . 1]"
1 45 GLU 0.011 0.011 3 0 "[ . 1]"
1 46 ALA 0.000 0.000 . 0 "[ . 1]"
1 47 GLU 0.000 0.000 . 0 "[ . 1]"
1 48 LEU 0.000 0.000 . 0 "[ . 1]"
1 49 GLN 0.106 0.049 1 0 "[ . 1]"
1 50 ASP 0.136 0.066 1 0 "[ . 1]"
1 51 MET 0.000 0.000 . 0 "[ . 1]"
1 52 ILE 0.000 0.000 . 0 "[ . 1]"
1 53 ASN 0.094 0.049 1 0 "[ . 1]"
1 54 GLU 0.136 0.066 1 0 "[ . 1]"
1 63 ILE 0.406 0.137 7 0 "[ . 1]"
1 65 PHE 0.716 0.375 5 0 "[ . 1]"
1 66 PRO 0.295 0.142 10 0 "[ . 1]"
1 67 GLU 0.000 0.000 . 0 "[ . 1]"
1 68 PHE 3.239 0.345 6 0 "[ . 1]"
1 69 LEU 0.716 0.375 5 0 "[ . 1]"
1 70 THR 0.295 0.142 10 0 "[ . 1]"
1 71 MET 0.263 0.065 6 0 "[ . 1]"
1 72 MET 4.050 0.345 6 0 "[ . 1]"
1 73 ALA 0.000 0.000 . 0 "[ . 1]"
1 74 ARG 0.000 0.000 . 0 "[ . 1]"
1 75 LYS 0.263 0.065 6 0 "[ . 1]"
1 76 MET 0.811 0.163 4 0 "[ . 1]"
1 83 GLU 0.000 0.000 . 0 "[ . 1]"
1 84 GLU 0.000 0.000 . 0 "[ . 1]"
1 85 ILE 0.039 0.039 4 0 "[ . 1]"
1 86 ARG 0.000 0.000 . 0 "[ . 1]"
1 87 GLU 0.000 0.000 . 0 "[ . 1]"
1 88 ALA 0.529 0.132 8 0 "[ . 1]"
1 89 PHE 0.039 0.039 4 0 "[ . 1]"
1 90 ARG 0.000 0.000 . 0 "[ . 1]"
1 91 VAL 0.000 0.000 . 0 "[ . 1]"
1 92 PHE 0.529 0.132 8 0 "[ . 1]"
1 93 ASP 0.000 0.000 . 0 "[ . 1]"
1 100 ILE 0.115 0.115 9 0 "[ . 1]"
1 102 ALA 0.047 0.047 1 0 "[ . 1]"
1 103 ALA 0.000 0.000 . 0 "[ . 1]"
1 104 GLU 0.000 0.000 . 0 "[ . 1]"
1 105 LEU 0.000 0.000 . 0 "[ . 1]"
1 106 ARG 0.293 0.119 1 0 "[ . 1]"
1 107 HIS 0.158 0.095 1 0 "[ . 1]"
1 108 VAL 0.035 0.023 9 0 "[ . 1]"
1 109 MET 0.000 0.000 . 0 "[ . 1]"
1 110 THR 0.246 0.119 1 0 "[ . 1]"
1 111 ASN 0.158 0.095 1 0 "[ . 1]"
1 112 LEU 0.035 0.023 9 0 "[ . 1]"
1 117 THR 0.000 0.000 . 0 "[ . 1]"
1 118 ASP 0.000 0.000 . 0 "[ . 1]"
1 119 GLU 0.000 0.000 . 0 "[ . 1]"
1 120 GLU 0.000 0.000 . 0 "[ . 1]"
1 121 VAL 0.000 0.000 . 0 "[ . 1]"
1 122 ASP 0.000 0.000 . 0 "[ . 1]"
1 123 GLU 0.052 0.027 1 0 "[ . 1]"
1 124 MET 0.000 0.000 . 0 "[ . 1]"
1 125 ILE 0.000 0.000 . 0 "[ . 1]"
1 126 ARG 0.000 0.000 . 0 "[ . 1]"
1 127 GLU 0.052 0.027 1 0 "[ . 1]"
1 128 ALA 0.000 0.000 . 0 "[ . 1]"
1 129 ASP 0.000 0.000 . 0 "[ . 1]"
1 136 VAL 0.115 0.115 9 0 "[ . 1]"
1 137 ASN 0.000 0.000 . 0 "[ . 1]"
1 138 TYR 0.073 0.039 1 0 "[ . 1]"
1 139 GLU 0.000 0.000 . 0 "[ . 1]"
1 140 GLU 0.068 0.068 9 0 "[ . 1]"
1 141 PHE 0.919 0.183 4 0 "[ . 1]"
1 142 VAL 0.073 0.039 1 0 "[ . 1]"
1 143 GLN 0.000 0.000 . 0 "[ . 1]"
1 144 MET 0.068 0.068 9 0 "[ . 1]"
1 145 MET 0.919 0.183 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 27 ILE H 1 63 ILE O 2.000 . 2.700 2.519 2.000 2.837 0.137 7 0 "[ . 1]" 3
2 1 27 ILE N 1 63 ILE O 3.000 . 3.700 3.386 2.916 3.649 . 0 0 "[ . 1]" 3
3 1 27 ILE O 1 63 ILE H 2.000 . 2.700 2.594 2.337 2.755 0.055 1 0 "[ . 1]" 3
4 1 27 ILE O 1 63 ILE N 3.000 . 3.700 3.222 2.990 3.441 . 0 0 "[ . 1]" 3
5 1 100 ILE H 1 136 VAL O 2.000 . 2.700 2.434 2.030 2.815 0.115 9 0 "[ . 1]" 3
6 1 100 ILE N 1 136 VAL O 3.000 . 3.700 3.351 2.941 3.685 . 0 0 "[ . 1]" 3
7 1 100 ILE O 1 136 VAL H 2.000 . 2.700 2.092 1.811 2.402 . 0 0 "[ . 1]" 3
8 1 100 ILE O 1 136 VAL N 3.000 . 3.700 3.037 2.781 3.371 . 0 0 "[ . 1]" 3
9 1 6 GLU O 1 10 ALA N 3.000 2.300 3.700 2.782 2.655 2.918 . 0 0 "[ . 1]" 3
10 1 6 GLU O 1 10 ALA H 2.000 . 2.700 1.907 1.790 2.055 . 0 0 "[ . 1]" 3
11 1 7 GLU O 1 11 GLU N 3.000 2.300 3.700 3.489 3.111 3.673 . 0 0 "[ . 1]" 3
12 1 7 GLU O 1 11 GLU H 2.000 . 2.700 2.527 2.146 2.717 0.017 9 0 "[ . 1]" 3
13 1 8 GLN O 1 12 PHE N 3.000 2.300 3.700 3.130 2.984 3.314 . 0 0 "[ . 1]" 3
14 1 8 GLN O 1 12 PHE H 2.000 . 2.700 2.217 2.076 2.489 . 0 0 "[ . 1]" 3
15 1 9 ILE O 1 13 LYS N 3.000 2.300 3.700 3.359 3.169 3.503 . 0 0 "[ . 1]" 3
16 1 9 ILE O 1 13 LYS H 2.000 . 2.700 2.450 2.275 2.615 . 0 0 "[ . 1]" 3
17 1 10 ALA O 1 14 GLU N 3.000 2.300 3.700 3.364 2.962 3.574 . 0 0 "[ . 1]" 3
18 1 10 ALA O 1 14 GLU H 2.000 . 2.700 2.499 2.071 2.718 0.018 2 0 "[ . 1]" 3
19 1 11 GLU O 1 15 ALA N 3.000 2.300 3.700 3.662 3.481 3.781 0.081 2 0 "[ . 1]" 3
20 1 11 GLU O 1 15 ALA H 2.000 . 2.700 2.780 2.606 2.950 0.250 9 0 "[ . 1]" 3
21 1 12 PHE O 1 16 PHE N 3.000 2.300 3.700 3.418 3.184 3.674 . 0 0 "[ . 1]" 3
22 1 12 PHE O 1 16 PHE H 2.000 . 2.700 2.513 2.253 2.773 0.073 8 0 "[ . 1]" 3
23 1 13 LYS O 1 17 SER N 3.000 2.300 3.700 3.375 3.073 3.659 . 0 0 "[ . 1]" 3
24 1 13 LYS O 1 17 SER H 2.000 . 2.700 2.458 2.247 2.700 0.000 5 0 "[ . 1]" 3
25 1 14 GLU O 1 18 LEU N 3.000 2.300 3.700 3.222 2.830 3.459 . 0 0 "[ . 1]" 3
26 1 14 GLU O 1 18 LEU H 2.000 . 2.700 2.524 2.166 2.744 0.044 5 0 "[ . 1]" 3
27 1 15 ALA O 1 19 PHE N 3.000 2.300 3.700 3.185 2.874 3.607 . 0 0 "[ . 1]" 3
28 1 15 ALA O 1 19 PHE H 2.000 . 2.700 2.359 1.926 2.740 0.040 2 0 "[ . 1]" 3
29 1 28 THR O 1 32 LEU N 3.000 2.300 3.700 3.014 2.783 3.221 . 0 0 "[ . 1]" 3
30 1 28 THR O 1 32 LEU H 2.000 . 2.700 2.148 1.826 2.418 . 0 0 "[ . 1]" 3
31 1 29 THR O 1 33 GLY N 3.000 2.300 3.700 3.129 2.853 3.493 . 0 0 "[ . 1]" 3
32 1 29 THR O 1 33 GLY H 2.000 . 2.700 2.185 1.894 2.528 . 0 0 "[ . 1]" 3
33 1 30 LYS O 1 34 THR N 3.000 2.300 3.700 3.628 3.397 3.742 0.042 9 0 "[ . 1]" 3
34 1 30 LYS O 1 34 THR H 2.000 . 2.700 2.705 2.467 2.808 0.108 3 0 "[ . 1]" 3
35 1 31 GLU O 1 35 VAL N 3.000 2.300 3.700 3.348 3.040 3.585 . 0 0 "[ . 1]" 3
36 1 31 GLU O 1 35 VAL H 2.000 . 2.700 2.495 2.182 2.740 0.040 10 0 "[ . 1]" 3
37 1 34 THR O 1 38 SER N 3.000 2.300 3.700 3.366 3.245 3.481 . 0 0 "[ . 1]" 3
38 1 34 THR O 1 38 SER H 2.000 . 2.700 2.638 2.485 2.802 0.102 2 0 "[ . 1]" 3
39 1 32 LEU O 1 36 MET N 3.000 2.300 3.700 3.196 2.844 3.495 . 0 0 "[ . 1]" 3
40 1 32 LEU O 1 36 MET H 2.000 . 2.700 2.278 1.934 2.612 . 0 0 "[ . 1]" 3
41 1 33 GLY O 1 37 ARG N 3.000 2.300 3.700 2.736 2.404 3.008 . 0 0 "[ . 1]" 3
42 1 33 GLY O 1 37 ARG H 2.000 . 2.700 1.872 1.587 2.184 . 0 0 "[ . 1]" 3
43 1 35 VAL O 1 39 LEU N 3.000 2.300 3.700 3.471 3.196 3.599 . 0 0 "[ . 1]" 3
44 1 35 VAL O 1 39 LEU H 2.000 . 2.700 2.786 2.607 2.902 0.202 3 0 "[ . 1]" 3
45 1 44 THR O 1 48 LEU N 3.000 2.300 3.700 2.977 2.628 3.226 . 0 0 "[ . 1]" 3
46 1 44 THR O 1 48 LEU H 2.000 . 2.700 2.050 1.715 2.278 . 0 0 "[ . 1]" 3
47 1 45 GLU O 1 49 GLN N 3.000 2.300 3.700 3.163 2.819 3.476 . 0 0 "[ . 1]" 3
48 1 45 GLU O 1 49 GLN H 2.000 . 2.700 2.296 1.887 2.711 0.011 3 0 "[ . 1]" 3
49 1 46 ALA O 1 50 ASP N 3.000 2.300 3.700 3.207 2.771 3.544 . 0 0 "[ . 1]" 3
50 1 46 ALA O 1 50 ASP H 2.000 . 2.700 2.337 1.828 2.678 . 0 0 "[ . 1]" 3
51 1 47 GLU O 1 51 MET N 3.000 2.300 3.700 2.864 2.377 3.554 . 0 0 "[ . 1]" 3
52 1 47 GLU O 1 51 MET H 2.000 . 2.700 2.088 1.617 2.666 . 0 0 "[ . 1]" 3
53 1 48 LEU O 1 52 ILE N 3.000 2.300 3.700 3.002 2.742 3.294 . 0 0 "[ . 1]" 3
54 1 48 LEU O 1 52 ILE H 2.000 . 2.700 2.060 1.775 2.323 . 0 0 "[ . 1]" 3
55 1 49 GLN O 1 53 ASN N 3.000 2.300 3.700 3.335 2.909 3.673 . 0 0 "[ . 1]" 3
56 1 49 GLN O 1 53 ASN H 2.000 . 2.700 2.397 1.933 2.749 0.049 1 0 "[ . 1]" 3
57 1 50 ASP O 1 54 GLU N 3.000 2.300 3.700 3.468 3.110 3.674 . 0 0 "[ . 1]" 3
58 1 50 ASP O 1 54 GLU H 2.000 . 2.700 2.575 2.227 2.766 0.066 1 0 "[ . 1]" 3
59 1 65 PHE O 1 69 LEU N 3.000 2.300 3.700 3.302 2.904 3.745 0.045 5 0 "[ . 1]" 3
60 1 65 PHE O 1 69 LEU H 2.000 . 2.700 2.529 1.988 3.075 0.375 5 0 "[ . 1]" 3
61 1 66 PRO O 1 70 THR N 3.000 2.300 3.700 3.408 3.112 3.713 0.013 10 0 "[ . 1]" 3
62 1 66 PRO O 1 70 THR H 2.000 . 2.700 2.514 2.158 2.842 0.142 10 0 "[ . 1]" 3
63 1 67 GLU O 1 71 MET N 3.000 2.300 3.700 3.146 2.531 3.671 . 0 0 "[ . 1]" 3
64 1 67 GLU O 1 71 MET H 2.000 . 2.700 2.198 1.584 2.697 . 0 0 "[ . 1]" 3
65 1 68 PHE O 1 72 MET N 3.000 2.300 3.700 3.812 3.676 3.901 0.201 6 0 "[ . 1]" 3
66 1 68 PHE O 1 72 MET H 2.000 . 2.700 2.909 2.855 3.045 0.345 6 0 "[ . 1]" 3
67 1 69 LEU O 1 73 ALA N 3.000 2.300 3.700 2.609 2.452 2.866 . 0 0 "[ . 1]" 3
68 1 69 LEU O 1 73 ALA H 2.000 . 2.700 1.673 1.578 1.894 . 0 0 "[ . 1]" 3
69 1 70 THR O 1 74 ARG N 3.000 2.300 3.700 2.527 2.427 2.660 . 0 0 "[ . 1]" 3
70 1 70 THR O 1 74 ARG H 2.000 . 2.700 1.616 1.576 1.788 . 0 0 "[ . 1]" 3
71 1 71 MET O 1 75 LYS N 3.000 2.300 3.700 3.595 3.447 3.679 . 0 0 "[ . 1]" 3
72 1 71 MET O 1 75 LYS H 2.000 . 2.700 2.711 2.567 2.765 0.065 6 0 "[ . 1]" 3
73 1 72 MET O 1 76 MET N 3.000 2.300 3.700 3.633 3.526 3.724 0.024 6 0 "[ . 1]" 3
74 1 72 MET O 1 76 MET H 2.000 . 2.700 2.770 2.611 2.863 0.163 4 0 "[ . 1]" 3
75 1 83 GLU O 1 87 GLU N 3.000 2.300 3.700 3.223 2.944 3.641 . 0 0 "[ . 1]" 3
76 1 83 GLU O 1 87 GLU H 2.000 . 2.700 2.272 1.975 2.678 . 0 0 "[ . 1]" 3
77 1 84 GLU O 1 88 ALA N 3.000 2.300 3.700 2.916 2.529 3.359 . 0 0 "[ . 1]" 3
78 1 84 GLU O 1 88 ALA H 2.000 . 2.700 2.030 1.581 2.549 . 0 0 "[ . 1]" 3
79 1 85 ILE O 1 89 PHE N 3.000 2.300 3.700 3.305 2.966 3.472 . 0 0 "[ . 1]" 3
80 1 85 ILE O 1 89 PHE H 2.000 . 2.700 2.528 2.163 2.739 0.039 4 0 "[ . 1]" 3
81 1 86 ARG O 1 90 ARG N 3.000 2.300 3.700 2.807 2.568 3.183 . 0 0 "[ . 1]" 3
82 1 86 ARG O 1 90 ARG H 2.000 . 2.700 1.916 1.617 2.456 . 0 0 "[ . 1]" 3
83 1 87 GLU O 1 91 VAL N 3.000 2.300 3.700 2.758 2.337 3.140 . 0 0 "[ . 1]" 3
84 1 87 GLU O 1 91 VAL H 2.000 . 2.700 1.974 1.622 2.293 . 0 0 "[ . 1]" 3
85 1 88 ALA O 1 92 PHE N 3.000 2.300 4.000 3.663 3.263 3.905 . 0 0 "[ . 1]" 3
86 1 88 ALA O 1 92 PHE H 2.000 . 3.000 2.999 2.608 3.132 0.132 8 0 "[ . 1]" 3
87 1 89 PHE O 1 93 ASP N 3.000 2.300 3.700 3.296 3.083 3.565 . 0 0 "[ . 1]" 3
88 1 89 PHE O 1 93 ASP H 2.000 . 2.700 2.406 2.230 2.682 . 0 0 "[ . 1]" 3
89 1 102 ALA O 1 106 ARG N 3.000 2.300 3.700 3.266 2.761 3.582 . 0 0 "[ . 1]" 3
90 1 102 ALA O 1 106 ARG H 2.000 . 2.700 2.357 1.826 2.747 0.047 1 0 "[ . 1]" 3
91 1 103 ALA O 1 107 HIS N 3.000 2.300 3.700 3.095 2.717 3.317 . 0 0 "[ . 1]" 3
92 1 103 ALA O 1 107 HIS H 2.000 . 2.700 2.376 1.982 2.687 . 0 0 "[ . 1]" 3
93 1 104 GLU O 1 108 VAL N 3.000 2.300 3.700 2.990 2.754 3.283 . 0 0 "[ . 1]" 3
94 1 104 GLU O 1 108 VAL H 2.000 . 2.700 2.084 1.810 2.451 . 0 0 "[ . 1]" 3
95 1 105 LEU O 1 109 MET N 3.000 2.300 3.700 3.026 2.661 3.390 . 0 0 "[ . 1]" 3
96 1 105 LEU O 1 109 MET H 2.000 . 2.700 2.121 1.755 2.461 . 0 0 "[ . 1]" 3
97 1 106 ARG O 1 110 THR N 3.000 2.300 3.700 2.965 2.446 3.370 . 0 0 "[ . 1]" 3
98 1 106 ARG O 1 110 THR H 2.000 . 2.700 2.352 1.837 2.819 0.119 1 0 "[ . 1]" 3
99 1 107 HIS O 1 111 ASN N 3.000 2.300 3.700 3.413 3.140 3.667 . 0 0 "[ . 1]" 3
100 1 107 HIS O 1 111 ASN H 2.000 . 2.700 2.503 2.180 2.795 0.095 1 0 "[ . 1]" 3
101 1 108 VAL O 1 112 LEU N 3.000 2.300 3.700 3.123 2.452 3.442 . 0 0 "[ . 1]" 3
102 1 108 VAL O 1 112 LEU H 2.000 . 2.700 2.385 1.662 2.723 0.023 9 0 "[ . 1]" 3
103 1 117 THR O 1 121 VAL N 3.000 2.300 3.700 3.149 3.036 3.221 . 0 0 "[ . 1]" 3
104 1 117 THR O 1 121 VAL H 2.000 . 2.700 2.233 2.100 2.347 . 0 0 "[ . 1]" 3
105 1 118 ASP O 1 122 ASP N 3.000 2.300 3.700 2.829 2.573 3.220 . 0 0 "[ . 1]" 3
106 1 118 ASP O 1 122 ASP H 2.000 . 2.700 1.923 1.594 2.294 . 0 0 "[ . 1]" 3
107 1 119 GLU O 1 123 GLU N 3.000 2.300 3.700 3.038 2.547 3.452 . 0 0 "[ . 1]" 3
108 1 119 GLU O 1 123 GLU H 2.000 . 2.700 2.202 1.637 2.695 . 0 0 "[ . 1]" 3
109 1 120 GLU O 1 124 MET N 3.000 2.300 3.700 3.063 2.684 3.524 . 0 0 "[ . 1]" 3
110 1 120 GLU O 1 124 MET H 2.000 . 2.700 2.153 1.714 2.624 . 0 0 "[ . 1]" 3
111 1 121 VAL O 1 125 ILE N 3.000 2.300 3.700 3.117 2.915 3.476 . 0 0 "[ . 1]" 3
112 1 121 VAL O 1 125 ILE H 2.000 . 2.700 2.165 1.972 2.544 . 0 0 "[ . 1]" 3
113 1 122 ASP O 1 126 ARG N 3.000 2.300 3.700 2.748 2.427 3.427 . 0 0 "[ . 1]" 3
114 1 122 ASP O 1 126 ARG H 2.000 . 2.700 1.848 1.583 2.489 . 0 0 "[ . 1]" 3
115 1 123 GLU O 1 127 GLU N 3.000 2.300 3.700 2.975 2.273 3.419 0.027 1 0 "[ . 1]" 3
116 1 123 GLU O 1 127 GLU H 2.000 . 2.700 2.315 1.579 2.680 . 0 0 "[ . 1]" 3
117 1 124 MET O 1 128 ALA N 3.000 2.300 3.700 2.948 2.378 3.374 . 0 0 "[ . 1]" 3
118 1 124 MET O 1 128 ALA H 2.000 . 2.700 2.051 1.641 2.444 . 0 0 "[ . 1]" 3
119 1 125 ILE O 1 129 ASP N 3.000 2.300 3.700 2.643 2.416 2.953 . 0 0 "[ . 1]" 3
120 1 125 ILE O 1 129 ASP H 2.000 . 2.700 1.850 1.584 2.235 . 0 0 "[ . 1]" 3
121 1 137 ASN O 1 141 PHE N 3.000 2.300 3.700 3.231 3.106 3.337 . 0 0 "[ . 1]" 3
122 1 137 ASN O 1 141 PHE H 2.000 . 2.700 2.315 2.174 2.443 . 0 0 "[ . 1]" 3
123 1 138 TYR O 1 142 VAL N 3.000 2.300 3.700 3.499 3.322 3.657 . 0 0 "[ . 1]" 3
124 1 138 TYR O 1 142 VAL H 2.000 . 2.700 2.605 2.453 2.739 0.039 1 0 "[ . 1]" 3
125 1 139 GLU O 1 143 GLN N 3.500 2.800 4.200 3.417 3.109 3.720 . 0 0 "[ . 1]" 3
126 1 139 GLU O 1 143 GLN H 2.500 . 3.200 2.583 2.159 3.041 . 0 0 "[ . 1]" 3
127 1 140 GLU O 1 144 MET N 3.500 2.800 4.200 3.300 3.017 3.605 . 0 0 "[ . 1]" 3
128 1 140 GLU O 1 144 MET H 2.000 . 2.700 2.404 2.091 2.768 0.068 9 0 "[ . 1]" 3
129 1 141 PHE O 1 145 MET N 3.500 2.800 4.200 3.611 3.284 3.813 . 0 0 "[ . 1]" 3
130 1 141 PHE O 1 145 MET H 2.000 . 2.700 2.792 2.700 2.883 0.183 4 0 "[ . 1]" 3
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