NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
391976 |
1pms   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pms
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 1018
_Distance_constraint_stats_list.Viol_count 1997
_Distance_constraint_stats_list.Viol_total 2278.084
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0227
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0570
_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 LYS 0.389 0.038 8 0 "[ . 1 . 2]"
1 4 GLN 2.158 0.101 2 0 "[ . 1 . 2]"
1 5 LEU 0.586 0.039 6 0 "[ . 1 . 2]"
1 6 ALA 1.062 0.059 6 0 "[ . 1 . 2]"
1 7 ILE 2.437 0.101 2 0 "[ . 1 . 2]"
1 8 LYS 0.909 0.075 18 0 "[ . 1 . 2]"
1 9 LYS 0.358 0.059 6 0 "[ . 1 . 2]"
1 10 MET 0.947 0.065 7 0 "[ . 1 . 2]"
1 11 ASN 0.760 0.075 18 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.484 0.083 1 0 "[ . 1 . 2]"
1 14 GLN 0.485 0.083 1 0 "[ . 1 . 2]"
1 15 LYS 2.895 0.123 16 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 1.443 0.123 16 0 "[ . 1 . 2]"
1 18 ASP 0.534 0.093 14 0 "[ . 1 . 2]"
1 19 GLY 0.296 0.063 10 0 "[ . 1 . 2]"
1 20 TRP 5.416 0.297 19 0 "[ . 1 . 2]"
1 22 GLY 0.005 0.005 17 0 "[ . 1 . 2]"
1 23 LYS 0.532 0.082 6 0 "[ . 1 . 2]"
1 24 ASP 0.173 0.050 14 0 "[ . 1 . 2]"
1 25 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLY 0.108 0.041 4 0 "[ . 1 . 2]"
1 27 GLN 0.054 0.040 3 0 "[ . 1 . 2]"
1 28 CYS 0.134 0.041 4 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASN 2.058 0.268 15 0 "[ . 1 . 2]"
1 31 GLU 0.798 0.099 14 0 "[ . 1 . 2]"
1 32 PHE 0.328 0.120 15 0 "[ . 1 . 2]"
1 33 ILE 2.824 0.177 19 0 "[ . 1 . 2]"
1 34 MET 0.723 0.148 11 0 "[ . 1 . 2]"
1 35 GLU 2.053 0.200 20 0 "[ . 1 . 2]"
1 36 GLY 1.112 0.133 15 0 "[ . 1 . 2]"
1 37 THR 1.093 0.086 14 0 "[ . 1 . 2]"
1 38 LEU 10.271 0.273 18 0 "[ . 1 . 2]"
1 39 THR 4.252 0.162 2 0 "[ . 1 . 2]"
1 40 ARG 0.310 0.109 20 0 "[ . 1 . 2]"
1 41 VAL 6.046 0.261 8 0 "[ . 1 . 2]"
1 42 GLY 1.766 0.261 8 0 "[ . 1 . 2]"
1 43 ALA 0.025 0.025 1 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.211 0.109 20 0 "[ . 1 . 2]"
1 47 ARG 0.014 0.008 8 0 "[ . 1 . 2]"
1 48 HIS 0.196 0.086 14 0 "[ . 1 . 2]"
1 49 ILE 1.112 0.133 15 0 "[ . 1 . 2]"
1 50 PHE 0.419 0.069 2 0 "[ . 1 . 2]"
1 51 LEU 0.066 0.066 1 0 "[ . 1 . 2]"
1 52 PHE 0.886 0.122 17 0 "[ . 1 . 2]"
1 53 ASP 2.036 0.219 8 0 "[ . 1 . 2]"
1 54 GLY 1.068 0.268 15 0 "[ . 1 . 2]"
1 55 LEU 2.923 0.236 1 0 "[ . 1 . 2]"
1 56 MET 0.927 0.141 9 0 "[ . 1 . 2]"
1 57 ILE 1.485 0.236 1 0 "[ . 1 . 2]"
1 58 CYS 0.038 0.025 9 0 "[ . 1 . 2]"
1 59 CYS 0.069 0.069 11 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASN 0.102 0.049 5 0 "[ . 1 . 2]"
1 63 HIS 0.102 0.049 5 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.152 0.073 8 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.317 0.079 20 0 "[ . 1 . 2]"
1 68 LEU 0.940 0.091 6 0 "[ . 1 . 2]"
1 69 PRO 0.214 0.086 12 0 "[ . 1 . 2]"
1 70 GLY 0.047 0.040 6 0 "[ . 1 . 2]"
1 71 ALA 0.153 0.091 6 0 "[ . 1 . 2]"
1 72 SER 0.001 0.001 14 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 0.027 0.010 7 0 "[ . 1 . 2]"
1 77 ARG 0.003 0.003 12 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 2.137 0.174 7 0 "[ . 1 . 2]"
1 81 LYS 0.571 0.081 5 0 "[ . 1 . 2]"
1 82 PHE 0.059 0.024 14 0 "[ . 1 . 2]"
1 83 PHE 1.466 0.106 6 0 "[ . 1 . 2]"
1 84 MET 0.493 0.156 16 0 "[ . 1 . 2]"
1 85 ARG 5.366 0.190 8 0 "[ . 1 . 2]"
1 86 LYS 4.964 0.141 14 0 "[ . 1 . 2]"
1 87 VAL 5.442 0.190 8 0 "[ . 1 . 2]"
1 88 GLN 0.044 0.017 16 0 "[ . 1 . 2]"
1 89 ILE 2.763 0.193 7 0 "[ . 1 . 2]"
1 90 ASN 2.115 0.124 5 0 "[ . 1 . 2]"
1 91 ASP 0.344 0.044 20 0 "[ . 1 . 2]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASP 1.483 0.204 15 0 "[ . 1 . 2]"
1 94 ASP 0.076 0.048 15 0 "[ . 1 . 2]"
1 95 THR 2.710 0.240 18 0 "[ . 1 . 2]"
1 96 SER 0.013 0.007 9 0 "[ . 1 . 2]"
1 97 GLU 2.242 0.240 18 0 "[ . 1 . 2]"
1 98 TYR 1.441 0.289 14 0 "[ . 1 . 2]"
1 99 LYS 0.755 0.289 14 0 "[ . 1 . 2]"
1 100 HIS 0.041 0.041 1 0 "[ . 1 . 2]"
1 101 ALA 0.990 0.100 1 0 "[ . 1 . 2]"
1 102 PHE 1.326 0.100 1 0 "[ . 1 . 2]"
1 103 GLU 1.631 0.085 18 0 "[ . 1 . 2]"
1 104 ILE 1.029 0.168 19 0 "[ . 1 . 2]"
1 105 ILE 2.210 0.115 6 0 "[ . 1 . 2]"
1 106 LEU 6.151 0.227 7 0 "[ . 1 . 2]"
1 107 LYS 1.781 0.072 10 0 "[ . 1 . 2]"
1 108 ASP 2.144 0.090 10 0 "[ . 1 . 2]"
1 109 GLY 0.554 0.051 12 0 "[ . 1 . 2]"
1 110 ASN 6.455 0.227 7 0 "[ . 1 . 2]"
1 111 SER 3.197 0.115 6 0 "[ . 1 . 2]"
1 112 VAL 0.361 0.062 17 0 "[ . 1 . 2]"
1 113 ILE 3.254 0.249 4 0 "[ . 1 . 2]"
1 114 PHE 1.724 0.085 18 0 "[ . 1 . 2]"
1 115 SER 6.105 0.162 2 0 "[ . 1 . 2]"
1 116 ALA 3.716 0.213 16 0 "[ . 1 . 2]"
1 117 LYS 0.549 0.032 6 0 "[ . 1 . 2]"
1 118 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ALA 0.682 0.069 20 0 "[ . 1 . 2]"
1 120 GLU 0.557 0.048 17 0 "[ . 1 . 2]"
1 121 GLU 0.300 0.175 13 0 "[ . 1 . 2]"
1 122 LYS 0.682 0.069 20 0 "[ . 1 . 2]"
1 123 ASN 0.698 0.138 18 0 "[ . 1 . 2]"
1 124 ASN 1.560 0.140 17 0 "[ . 1 . 2]"
1 125 TRP 7.841 0.273 18 0 "[ . 1 . 2]"
1 126 MET 4.743 0.193 7 0 "[ . 1 . 2]"
1 127 ALA 1.579 0.140 17 0 "[ . 1 . 2]"
1 128 ALA 3.019 0.177 19 0 "[ . 1 . 2]"
1 129 LEU 3.822 0.132 12 0 "[ . 1 . 2]"
1 130 ILE 3.459 0.167 1 0 "[ . 1 . 2]"
1 131 SER 1.338 0.125 11 0 "[ . 1 . 2]"
1 132 LEU 5.982 0.219 8 0 "[ . 1 . 2]"
1 133 GLN 0.210 0.039 15 0 "[ . 1 . 2]"
1 134 TYR 0.066 0.024 5 0 "[ . 1 . 2]"
1 135 ARG 2.628 0.248 15 0 "[ . 1 . 2]"
1 136 SER 1.106 0.130 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS H 1 4 GLN H 5.000 . 5.800 3.040 2.492 3.473 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLN H 1 5 LEU H 2.500 . 2.900 2.857 2.731 2.917 0.017 5 0 "[ . 1 . 2]" 1
3 1 4 GLN H 1 4 GLN HA 2.500 . 2.900 2.945 2.934 2.950 0.050 9 0 "[ . 1 . 2]" 1
4 1 4 GLN H 1 4 GLN QB 2.500 . 2.900 2.511 2.363 2.622 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLN H 1 4 GLN QG 2.500 . 2.900 2.294 1.947 2.552 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS HA 1 4 GLN H 3.000 . 3.600 2.898 2.620 3.217 . 0 0 "[ . 1 . 2]" 1
7 1 5 LEU H 1 5 LEU HA 2.500 . 2.900 2.832 2.801 2.856 . 0 0 "[ . 1 . 2]" 1
8 1 5 LEU HA 1 6 ALA H 3.000 . 3.600 3.483 3.403 3.541 . 0 0 "[ . 1 . 2]" 1
9 1 6 ALA H 1 6 ALA HA 2.500 . 2.900 2.935 2.902 2.959 0.059 6 0 "[ . 1 . 2]" 1
10 1 6 ALA H 1 6 ALA MB 3.000 . 3.400 2.198 2.115 2.307 . 0 0 "[ . 1 . 2]" 1
11 1 6 ALA H 1 7 ILE QG 4.000 . 4.600 3.754 3.347 4.114 . 0 0 "[ . 1 . 2]" 1
12 1 6 ALA H 1 7 ILE MD 3.500 . 4.100 3.362 3.145 3.425 . 0 0 "[ . 1 . 2]" 1
13 1 7 ILE H 1 7 ILE HA 2.500 . 2.900 2.927 2.907 2.948 0.048 18 0 "[ . 1 . 2]" 1
14 1 7 ILE H 1 7 ILE HB 2.500 . 2.900 2.712 2.503 2.882 . 0 0 "[ . 1 . 2]" 1
15 1 7 ILE H 1 7 ILE QG 2.500 . 2.900 2.175 1.922 2.528 . 0 0 "[ . 1 . 2]" 1
16 1 7 ILE H 1 7 ILE MD 3.500 . 4.100 2.329 2.175 2.548 . 0 0 "[ . 1 . 2]" 1
17 1 6 ALA MB 1 7 ILE H 3.500 . 4.100 2.783 2.657 2.931 . 0 0 "[ . 1 . 2]" 1
18 1 6 ALA HA 1 7 ILE H 3.000 . 3.600 3.507 3.470 3.543 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLN HA 1 7 ILE H 3.000 . 3.600 2.893 2.741 3.063 . 0 0 "[ . 1 . 2]" 1
20 1 7 ILE H 1 8 LYS H 2.500 . 2.900 2.403 2.308 2.507 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLN QB 1 7 ILE H 3.000 . 3.600 3.242 3.215 3.284 . 0 0 "[ . 1 . 2]" 1
22 1 5 LEU HA 1 8 LYS H 3.000 . 3.600 3.474 3.363 3.611 0.011 8 0 "[ . 1 . 2]" 1
23 1 8 LYS H 1 8 LYS HA 2.500 . 2.900 2.920 2.901 2.940 0.040 18 0 "[ . 1 . 2]" 1
24 1 8 LYS H 1 8 LYS QB 2.500 . 2.900 2.112 2.087 2.149 . 0 0 "[ . 1 . 2]" 1
25 1 7 ILE HA 1 8 LYS H 3.000 . 3.600 3.390 3.371 3.432 . 0 0 "[ . 1 . 2]" 1
26 1 8 LYS H 1 8 LYS QD 2.500 . 2.900 2.559 2.328 2.610 . 0 0 "[ . 1 . 2]" 1
27 1 8 LYS H 1 8 LYS QE 4.000 . 4.600 4.022 3.808 4.141 . 0 0 "[ . 1 . 2]" 1
28 1 9 LYS H 1 10 MET H 3.000 . 3.600 2.803 2.653 2.935 . 0 0 "[ . 1 . 2]" 1
29 1 9 LYS H 1 9 LYS HA 3.000 . 3.600 2.865 2.835 2.901 . 0 0 "[ . 1 . 2]" 1
30 1 8 LYS HA 1 9 LYS H 3.000 . 3.600 3.478 3.419 3.535 . 0 0 "[ . 1 . 2]" 1
31 1 6 ALA HA 1 9 LYS H 3.000 . 3.600 3.609 3.496 3.659 0.059 6 0 "[ . 1 . 2]" 1
32 1 7 ILE HA 1 9 LYS H 4.000 . 4.600 3.881 3.641 4.124 . 0 0 "[ . 1 . 2]" 1
33 1 9 LYS H 1 11 ASN H 5.000 . 5.800 4.102 3.793 4.324 . 0 0 "[ . 1 . 2]" 1
34 1 9 LYS HA 1 10 MET H 3.000 . 3.600 3.581 3.562 3.594 . 0 0 "[ . 1 . 2]" 1
35 1 10 MET H 1 10 MET HA 3.000 . 3.600 2.741 2.700 2.786 . 0 0 "[ . 1 . 2]" 1
36 1 7 ILE HA 1 10 MET H 3.000 . 3.600 3.634 3.603 3.665 0.065 7 0 "[ . 1 . 2]" 1
37 1 10 MET H 1 10 MET QB 3.000 . 3.600 2.344 2.111 2.793 . 0 0 "[ . 1 . 2]" 1
38 1 10 MET H 1 13 ILE MG 5.500 . 6.300 5.307 5.274 5.352 . 0 0 "[ . 1 . 2]" 1
39 1 10 MET H 1 13 ILE MD 5.500 . 6.300 2.641 2.415 3.101 . 0 0 "[ . 1 . 2]" 1
40 1 10 MET HA 1 11 ASN H 3.000 . 3.600 3.542 3.506 3.573 . 0 0 "[ . 1 . 2]" 1
41 1 11 ASN H 1 11 ASN HA 3.000 . 3.600 2.871 2.833 2.922 . 0 0 "[ . 1 . 2]" 1
42 1 11 ASN H 1 11 ASN QB 2.500 . 2.900 2.244 2.067 2.529 . 0 0 "[ . 1 . 2]" 1
43 1 8 LYS HA 1 11 ASN H 3.000 . 3.600 3.612 3.496 3.675 0.075 18 0 "[ . 1 . 2]" 1
44 1 11 ASN H 1 12 GLU H 3.000 . 3.600 2.801 2.565 2.966 . 0 0 "[ . 1 . 2]" 1
45 1 11 ASN QB 1 12 GLU H 3.000 . 3.600 2.289 2.145 2.471 . 0 0 "[ . 1 . 2]" 1
46 1 9 LYS HA 1 12 GLU H 3.000 . 3.600 3.335 3.140 3.589 . 0 0 "[ . 1 . 2]" 1
47 1 13 ILE H 1 13 ILE HB 3.000 . 3.600 2.502 2.312 3.200 . 0 0 "[ . 1 . 2]" 1
48 1 13 ILE H 1 13 ILE QG 4.000 . 4.600 2.336 1.801 2.676 . 0 0 "[ . 1 . 2]" 1
49 1 13 ILE H 1 13 ILE MD 5.500 . 6.300 3.509 3.399 3.812 . 0 0 "[ . 1 . 2]" 1
50 1 12 GLU HA 1 13 ILE H 4.000 . 4.600 3.374 3.362 3.400 . 0 0 "[ . 1 . 2]" 1
51 1 12 GLU QB 1 13 ILE H 3.000 . 3.600 3.216 3.197 3.232 . 0 0 "[ . 1 . 2]" 1
52 1 11 ASN HA 1 13 ILE H 4.000 . 4.600 3.794 3.725 3.855 . 0 0 "[ . 1 . 2]" 1
53 1 10 MET HA 1 13 ILE H 5.000 . 5.800 3.404 3.235 3.629 . 0 0 "[ . 1 . 2]" 1
54 1 14 GLN H 1 15 LYS H 3.000 . 3.600 2.388 2.182 2.617 . 0 0 "[ . 1 . 2]" 1
55 1 13 ILE HA 1 14 GLN H 5.000 . 5.800 3.528 3.462 3.593 . 0 0 "[ . 1 . 2]" 1
56 1 13 ILE HB 1 14 GLN H 2.500 . 2.900 2.757 2.292 2.983 0.083 1 0 "[ . 1 . 2]" 1
57 1 13 ILE MG 1 14 GLN H 4.500 . 5.100 3.578 3.088 4.164 . 0 0 "[ . 1 . 2]" 1
58 1 11 ASN HA 1 14 GLN H 3.000 . 3.600 3.585 3.473 3.660 0.060 2 0 "[ . 1 . 2]" 1
59 1 15 LYS H 1 15 LYS HA 2.500 . 2.900 2.966 2.948 2.981 0.081 10 0 "[ . 1 . 2]" 1
60 1 15 LYS H 1 15 LYS QB 2.500 . 2.900 2.464 2.293 2.604 . 0 0 "[ . 1 . 2]" 1
61 1 15 LYS H 1 15 LYS QE 5.000 . 5.800 4.628 3.783 5.119 . 0 0 "[ . 1 . 2]" 1
62 1 12 GLU HA 1 15 LYS H 4.000 . 4.600 3.464 3.285 3.773 . 0 0 "[ . 1 . 2]" 1
63 1 15 LYS H 1 16 ASN QB 4.000 . 4.600 3.955 3.776 4.114 . 0 0 "[ . 1 . 2]" 1
64 1 15 LYS H 1 16 ASN H 3.000 . 3.600 2.146 1.910 2.365 . 0 0 "[ . 1 . 2]" 1
65 1 16 ASN H 1 16 ASN HA 3.000 . 3.600 2.902 2.747 2.982 . 0 0 "[ . 1 . 2]" 1
66 1 16 ASN H 1 16 ASN QB 3.000 . 3.600 2.229 2.110 2.385 . 0 0 "[ . 1 . 2]" 1
67 1 15 LYS HA 1 16 ASN H 3.000 . 3.600 3.527 3.440 3.565 . 0 0 "[ . 1 . 2]" 1
68 1 13 ILE HA 1 16 ASN H 4.000 . 4.600 3.548 3.178 3.905 . 0 0 "[ . 1 . 2]" 1
69 1 13 ILE MG 1 16 ASN H 5.500 . 6.300 4.947 4.286 5.309 . 0 0 "[ . 1 . 2]" 1
70 1 15 LYS QB 1 16 ASN H 3.000 . 3.600 2.604 2.220 2.965 . 0 0 "[ . 1 . 2]" 1
71 1 16 ASN H 1 17 ILE H 3.000 . 3.600 2.519 2.108 2.896 . 0 0 "[ . 1 . 2]" 1
72 1 16 ASN H 1 17 ILE MD 5.500 . 6.300 5.090 4.390 5.346 . 0 0 "[ . 1 . 2]" 1
73 1 13 ILE QG 1 16 ASN H 5.000 . 5.800 5.215 5.168 5.254 . 0 0 "[ . 1 . 2]" 1
74 1 16 ASN H 1 17 ILE MG 5.500 . 6.300 4.545 3.097 5.372 . 0 0 "[ . 1 . 2]" 1
75 1 17 ILE H 1 17 ILE HA 3.000 . 3.600 2.976 2.943 2.994 . 0 0 "[ . 1 . 2]" 1
76 1 17 ILE H 1 17 ILE HB 3.000 . 3.600 3.070 2.389 3.680 0.080 9 0 "[ . 1 . 2]" 1
77 1 17 ILE H 1 17 ILE MG 4.500 . 5.100 2.946 2.076 3.957 . 0 0 "[ . 1 . 2]" 1
78 1 17 ILE H 1 17 ILE MD 5.500 . 6.300 3.780 3.487 4.208 . 0 0 "[ . 1 . 2]" 1
79 1 16 ASN HA 1 17 ILE H 3.000 . 3.600 3.350 3.279 3.500 . 0 0 "[ . 1 . 2]" 1
80 1 16 ASN QB 1 17 ILE H 3.000 . 3.600 3.233 2.893 3.303 . 0 0 "[ . 1 . 2]" 1
81 1 15 LYS HA 1 17 ILE H 3.000 . 3.600 3.652 3.593 3.723 0.123 16 0 "[ . 1 . 2]" 1
82 1 13 ILE MG 1 17 ILE H 5.500 . 6.300 4.831 4.031 5.268 . 0 0 "[ . 1 . 2]" 1
83 1 18 ASP H 1 18 ASP QB 3.000 . 3.600 3.069 2.265 3.227 . 0 0 "[ . 1 . 2]" 1
84 1 17 ILE HA 1 18 ASP H 3.000 . 3.600 3.445 3.160 3.595 . 0 0 "[ . 1 . 2]" 1
85 1 17 ILE HB 1 18 ASP H 5.000 . 5.800 3.712 2.592 4.536 . 0 0 "[ . 1 . 2]" 1
86 1 17 ILE MG 1 18 ASP H 5.500 . 6.300 3.057 1.781 4.477 0.019 7 0 "[ . 1 . 2]" 1
87 1 17 ILE MD 1 18 ASP H 5.500 . 6.300 4.420 3.325 4.934 . 0 0 "[ . 1 . 2]" 1
88 1 18 ASP H 1 19 GLY H 5.000 . 5.800 3.590 2.643 4.650 . 0 0 "[ . 1 . 2]" 1
89 1 19 GLY H 1 19 GLY QA 2.500 . 2.900 2.488 2.358 2.535 . 0 0 "[ . 1 . 2]" 1
90 1 18 ASP QB 1 19 GLY H 3.000 . 3.600 2.318 1.806 3.302 . 0 0 "[ . 1 . 2]" 1
91 1 17 ILE MG 1 19 GLY H 5.500 . 6.300 3.572 1.845 5.281 . 0 0 "[ . 1 . 2]" 1
92 1 17 ILE MD 1 19 GLY H 5.500 . 6.300 4.490 2.742 5.260 . 0 0 "[ . 1 . 2]" 1
93 1 19 GLY H 1 20 TRP H 3.000 . 3.600 2.287 1.759 3.614 0.041 2 0 "[ . 1 . 2]" 1
94 1 19 GLY H 1 20 TRP HD1 5.000 . 5.800 5.031 3.305 5.863 0.063 10 0 "[ . 1 . 2]" 1
95 1 19 GLY H 1 20 TRP QB 4.000 . 4.600 4.015 3.391 4.353 . 0 0 "[ . 1 . 2]" 1
96 1 19 GLY QA 1 20 TRP H 3.000 . 3.600 2.662 2.247 2.949 . 0 0 "[ . 1 . 2]" 1
97 1 17 ILE MG 1 20 TRP H 5.500 . 6.300 3.371 1.780 5.165 0.020 14 0 "[ . 1 . 2]" 1
98 1 17 ILE MD 1 20 TRP H 4.500 . 5.100 3.552 2.204 4.281 . 0 0 "[ . 1 . 2]" 1
99 1 18 ASP QB 1 20 TRP H 4.000 . 4.600 3.995 3.534 4.199 . 0 0 "[ . 1 . 2]" 1
100 1 20 TRP H 1 20 TRP HD1 3.000 . 3.600 3.049 1.800 3.897 0.297 19 0 "[ . 1 . 2]" 1
101 1 20 TRP H 1 20 TRP HA 3.000 . 3.600 2.657 2.316 2.984 . 0 0 "[ . 1 . 2]" 1
102 1 20 TRP H 1 35 GLU HA 5.000 . 5.800 5.685 5.212 5.990 0.190 2 0 "[ . 1 . 2]" 1
103 1 17 ILE MD 1 20 TRP HE1 5.500 . 6.300 2.887 1.836 5.182 . 0 0 "[ . 1 . 2]" 1
104 1 17 ILE MG 1 20 TRP HE1 5.500 . 6.300 4.205 2.000 5.300 . 0 0 "[ . 1 . 2]" 1
105 1 20 TRP HA 1 20 TRP HE1 5.000 . 5.800 5.096 4.191 6.054 0.254 18 0 "[ . 1 . 2]" 1
106 1 20 TRP HE1 1 24 ASP H 5.000 . 5.800 4.085 2.232 5.824 0.024 4 0 "[ . 1 . 2]" 1
107 1 20 TRP HE1 1 31 GLU H 5.000 . 5.800 5.794 5.506 5.899 0.099 14 0 "[ . 1 . 2]" 1
108 1 22 GLY H 1 22 GLY QA 2.500 . 2.900 2.467 2.306 2.534 . 0 0 "[ . 1 . 2]" 1
109 1 20 TRP HD1 1 22 GLY H 4.000 . 4.600 3.759 1.998 4.605 0.005 17 0 "[ . 1 . 2]" 1
110 1 17 ILE MD 1 22 GLY H 5.500 . 6.300 4.808 3.309 5.289 . 0 0 "[ . 1 . 2]" 1
111 1 23 LYS H 1 23 LYS HA 2.500 . 2.900 2.806 2.347 2.982 0.082 6 0 "[ . 1 . 2]" 1
112 1 22 GLY QA 1 23 LYS H 3.000 . 3.600 2.651 2.167 2.939 . 0 0 "[ . 1 . 2]" 1
113 1 20 TRP HD1 1 23 LYS H 5.000 . 5.800 4.366 2.814 5.801 0.001 20 0 "[ . 1 . 2]" 1
114 1 17 ILE MD 1 23 LYS H 5.500 . 6.300 4.784 2.741 5.262 . 0 0 "[ . 1 . 2]" 1
115 1 23 LYS HA 1 24 ASP H 2.500 . 2.900 2.486 2.196 2.917 0.017 10 0 "[ . 1 . 2]" 1
116 1 24 ASP H 1 24 ASP HA 3.000 . 3.600 2.845 2.364 2.992 . 0 0 "[ . 1 . 2]" 1
117 1 24 ASP H 1 24 ASP QB 3.000 . 3.600 2.726 2.140 3.206 . 0 0 "[ . 1 . 2]" 1
118 1 24 ASP HA 1 25 ILE H 4.000 . 4.600 2.665 2.185 3.594 . 0 0 "[ . 1 . 2]" 1
119 1 24 ASP QB 1 25 ILE H 4.000 . 4.600 2.644 1.813 3.660 . 0 0 "[ . 1 . 2]" 1
120 1 13 ILE MG 1 25 ILE H 5.500 . 6.300 4.994 3.611 5.277 . 0 0 "[ . 1 . 2]" 1
121 1 24 ASP QB 1 26 GLY H 4.000 . 4.600 3.414 2.773 4.121 . 0 0 "[ . 1 . 2]" 1
122 1 26 GLY H 1 27 GLN H 4.000 . 4.600 3.933 2.651 4.611 0.011 1 0 "[ . 1 . 2]" 1
123 1 26 GLY H 1 28 CYS H 5.000 . 5.800 5.256 3.526 5.841 0.041 4 0 "[ . 1 . 2]" 1
124 1 13 ILE MG 1 26 GLY H 5.500 . 6.300 5.276 5.163 5.358 . 0 0 "[ . 1 . 2]" 1
125 1 26 GLY H 1 31 GLU QB 4.000 . 4.600 4.049 3.036 4.209 . 0 0 "[ . 1 . 2]" 1
126 1 17 ILE MD 1 26 GLY H 5.500 . 6.300 4.810 3.549 5.283 . 0 0 "[ . 1 . 2]" 1
127 1 26 GLY QA 1 27 GLN H 4.000 . 4.600 2.374 2.173 2.934 . 0 0 "[ . 1 . 2]" 1
128 1 27 GLN H 1 27 GLN HA 3.000 . 3.600 2.861 2.768 2.993 . 0 0 "[ . 1 . 2]" 1
129 1 27 GLN H 1 27 GLN QB 2.500 . 2.900 2.322 2.200 2.597 . 0 0 "[ . 1 . 2]" 1
130 1 27 GLN H 1 28 CYS H 3.000 . 3.600 2.669 1.892 3.133 . 0 0 "[ . 1 . 2]" 1
131 1 28 CYS H 1 28 CYS HA 3.000 . 3.600 2.969 2.902 2.994 . 0 0 "[ . 1 . 2]" 1
132 1 28 CYS H 1 28 CYS QB 3.000 . 3.600 2.639 2.254 3.192 . 0 0 "[ . 1 . 2]" 1
133 1 27 GLN QB 1 28 CYS H 3.000 . 3.600 2.577 2.072 3.226 . 0 0 "[ . 1 . 2]" 1
134 1 27 GLN QG 1 28 CYS H 4.000 . 4.600 3.312 1.760 3.925 0.040 3 0 "[ . 1 . 2]" 1
135 1 27 GLN HA 1 28 CYS H 3.000 . 3.600 3.559 3.491 3.585 . 0 0 "[ . 1 . 2]" 1
136 1 26 GLY QA 1 28 CYS H 4.000 . 4.600 3.682 3.095 4.103 . 0 0 "[ . 1 . 2]" 1
137 1 28 CYS H 1 29 CYS H 3.000 . 3.600 2.364 1.876 3.227 . 0 0 "[ . 1 . 2]" 1
138 1 29 CYS H 1 29 CYS QB 3.000 . 3.600 2.695 2.186 3.321 . 0 0 "[ . 1 . 2]" 1
139 1 30 ASN H 1 31 GLU H 3.000 . 3.600 3.095 1.791 3.683 0.083 7 0 "[ . 1 . 2]" 1
140 1 30 ASN H 1 54 GLY H 5.000 . 5.800 5.730 5.154 6.068 0.268 15 0 "[ . 1 . 2]" 1
141 1 30 ASN H 1 31 GLU QB 4.000 . 4.600 3.953 3.235 4.330 . 0 0 "[ . 1 . 2]" 1
142 1 30 ASN H 1 31 GLU QG 5.000 . 5.800 3.872 2.475 5.013 . 0 0 "[ . 1 . 2]" 1
143 1 30 ASN H 1 53 ASP H 5.000 . 5.800 5.714 4.934 5.957 0.157 15 0 "[ . 1 . 2]" 1
144 1 31 GLU H 1 31 GLU HA 3.000 . 3.600 2.767 2.352 2.988 . 0 0 "[ . 1 . 2]" 1
145 1 31 GLU H 1 31 GLU QB 3.000 . 3.600 2.932 2.138 3.417 . 0 0 "[ . 1 . 2]" 1
146 1 31 GLU H 1 31 GLU QG 3.000 . 3.600 2.812 2.190 3.266 . 0 0 "[ . 1 . 2]" 1
147 1 31 GLU H 1 32 PHE H 5.000 . 5.800 3.980 1.769 4.712 0.031 9 0 "[ . 1 . 2]" 1
148 1 32 PHE H 1 32 PHE QB 3.000 . 3.600 2.782 2.344 3.145 . 0 0 "[ . 1 . 2]" 1
149 1 31 GLU QG 1 32 PHE H 3.000 . 3.600 2.655 1.828 3.368 . 0 0 "[ . 1 . 2]" 1
150 1 32 PHE H 1 33 ILE H 5.000 . 5.800 3.652 2.026 4.617 . 0 0 "[ . 1 . 2]" 1
151 1 32 PHE H 1 32 PHE QD 3.000 . 3.600 2.401 1.791 2.912 0.009 4 0 "[ . 1 . 2]" 1
152 1 32 PHE H 1 32 PHE QE 4.000 . 4.600 3.902 3.576 4.199 . 0 0 "[ . 1 . 2]" 1
153 1 33 ILE H 1 33 ILE HA 3.000 . 3.600 2.697 2.308 2.988 . 0 0 "[ . 1 . 2]" 1
154 1 33 ILE H 1 33 ILE HB 3.000 . 3.600 2.873 2.194 3.620 0.020 11 0 "[ . 1 . 2]" 1
155 1 33 ILE H 1 33 ILE MD 4.500 . 5.100 3.798 2.899 4.256 . 0 0 "[ . 1 . 2]" 1
156 1 32 PHE HA 1 33 ILE H 4.000 . 4.600 2.883 2.173 3.597 . 0 0 "[ . 1 . 2]" 1
157 1 32 PHE QB 1 33 ILE H 4.000 . 4.600 3.158 1.680 4.037 0.120 15 0 "[ . 1 . 2]" 1
158 1 33 ILE H 1 34 MET HA 5.000 . 5.800 5.166 4.163 5.580 . 0 0 "[ . 1 . 2]" 1
159 1 33 ILE H 1 34 MET H 4.000 . 4.600 3.103 1.915 4.201 . 0 0 "[ . 1 . 2]" 1
160 1 33 ILE H 1 34 MET QG 5.000 . 5.800 4.884 3.564 5.301 . 0 0 "[ . 1 . 2]" 1
161 1 33 ILE H 1 33 ILE QG 4.000 . 4.600 2.926 1.840 4.005 . 0 0 "[ . 1 . 2]" 1
162 1 31 GLU QG 1 33 ILE H 5.000 . 5.800 3.246 1.808 4.797 . 0 0 "[ . 1 . 2]" 1
163 1 32 PHE QD 1 33 ILE H 4.000 . 4.600 3.118 1.743 4.129 0.057 9 0 "[ . 1 . 2]" 1
164 1 34 MET H 1 34 MET HA 3.000 . 3.600 2.973 2.944 2.997 . 0 0 "[ . 1 . 2]" 1
165 1 34 MET H 1 34 MET QB 3.000 . 3.600 2.742 2.611 2.866 . 0 0 "[ . 1 . 2]" 1
166 1 33 ILE HA 1 34 MET H 3.000 . 3.600 3.542 3.436 3.631 0.031 11 0 "[ . 1 . 2]" 1
167 1 34 MET H 1 51 LEU H 4.000 . 4.600 3.640 2.923 4.390 . 0 0 "[ . 1 . 2]" 1
168 1 34 MET H 1 52 PHE HA 4.000 . 4.600 4.107 3.251 4.668 0.068 19 0 "[ . 1 . 2]" 1
169 1 34 MET H 1 35 GLU H 4.000 . 4.600 3.904 3.259 4.225 . 0 0 "[ . 1 . 2]" 1
170 1 32 PHE HA 1 34 MET H 4.000 . 4.600 4.019 3.226 4.650 0.050 7 0 "[ . 1 . 2]" 1
171 1 32 PHE QB 1 34 MET H 5.000 . 5.800 4.483 2.771 5.248 . 0 0 "[ . 1 . 2]" 1
172 1 32 PHE QD 1 34 MET H 5.000 . 5.800 4.959 3.712 5.410 . 0 0 "[ . 1 . 2]" 1
173 1 34 MET H 1 51 LEU QB 4.000 . 4.600 3.153 2.356 4.188 . 0 0 "[ . 1 . 2]" 1
174 1 34 MET H 1 51 LEU QD 5.500 . 6.300 3.954 3.353 4.718 . 0 0 "[ . 1 . 2]" 1
175 1 35 GLU H 1 35 GLU HA 3.000 . 3.600 2.980 2.951 3.003 . 0 0 "[ . 1 . 2]" 1
176 1 35 GLU H 1 35 GLU QB 2.500 . 2.900 2.605 2.102 2.745 . 0 0 "[ . 1 . 2]" 1
177 1 35 GLU H 1 35 GLU QG 3.000 . 3.600 3.107 2.554 3.313 . 0 0 "[ . 1 . 2]" 1
178 1 34 MET HA 1 35 GLU H 2.500 . 2.900 2.245 2.155 2.474 . 0 0 "[ . 1 . 2]" 1
179 1 35 GLU H 1 125 TRP HZ2 5.000 . 5.800 4.197 3.688 4.918 . 0 0 "[ . 1 . 2]" 1
180 1 36 GLY H 1 37 THR MG 5.500 . 6.300 4.859 4.715 5.012 . 0 0 "[ . 1 . 2]" 1
181 1 36 GLY H 1 125 TRP HH2 4.000 . 4.600 3.464 3.189 3.639 . 0 0 "[ . 1 . 2]" 1
182 1 36 GLY H 1 125 TRP HZ2 3.000 . 3.600 2.130 1.917 2.365 . 0 0 "[ . 1 . 2]" 1
183 1 36 GLY H 1 51 LEU H 5.000 . 5.800 4.752 4.283 5.335 . 0 0 "[ . 1 . 2]" 1
184 1 36 GLY H 1 50 PHE HA 5.000 . 5.800 3.575 3.311 3.829 . 0 0 "[ . 1 . 2]" 1
185 1 36 GLY H 1 49 ILE HB 3.000 . 3.600 3.638 3.342 3.733 0.133 15 0 "[ . 1 . 2]" 1
186 1 36 GLY H 1 37 THR H 5.000 . 5.800 3.762 3.434 4.087 . 0 0 "[ . 1 . 2]" 1
187 1 37 THR H 1 37 THR HA 3.000 . 3.600 2.970 2.955 2.987 . 0 0 "[ . 1 . 2]" 1
188 1 37 THR H 1 37 THR MG 3.500 . 4.100 3.450 3.427 3.484 . 0 0 "[ . 1 . 2]" 1
189 1 36 GLY QA 1 37 THR H 4.000 . 4.600 2.165 2.131 2.243 . 0 0 "[ . 1 . 2]" 1
190 1 37 THR H 1 38 LEU HA 5.000 . 5.800 4.910 4.738 4.987 . 0 0 "[ . 1 . 2]" 1
191 1 37 THR H 1 125 TRP HE1 4.000 . 4.600 3.358 2.945 3.598 . 0 0 "[ . 1 . 2]" 1
192 1 37 THR H 1 125 TRP HZ2 3.000 . 3.600 3.613 3.534 3.656 0.056 14 0 "[ . 1 . 2]" 1
193 1 37 THR H 1 125 TRP HH2 5.000 . 5.800 5.826 5.750 5.872 0.072 18 0 "[ . 1 . 2]" 1
194 1 37 THR H 1 121 GLU QB 5.000 . 5.800 4.487 3.911 4.975 . 0 0 "[ . 1 . 2]" 1
195 1 37 THR HA 1 38 LEU H 3.000 . 3.600 2.220 2.173 2.301 . 0 0 "[ . 1 . 2]" 1
196 1 37 THR MG 1 38 LEU H 4.500 . 5.100 3.494 3.342 3.590 . 0 0 "[ . 1 . 2]" 1
197 1 38 LEU H 1 48 HIS HA 4.000 . 4.600 3.852 3.678 4.115 . 0 0 "[ . 1 . 2]" 1
198 1 38 LEU H 1 49 ILE MD 5.500 . 6.300 3.051 2.931 3.273 . 0 0 "[ . 1 . 2]" 1
199 1 38 LEU H 1 46 GLU QB 4.000 . 4.600 3.663 3.199 3.893 . 0 0 "[ . 1 . 2]" 1
200 1 38 LEU H 1 47 ARG QB 5.000 . 5.800 5.062 4.724 5.232 . 0 0 "[ . 1 . 2]" 1
201 1 38 LEU H 1 46 GLU QG 5.000 . 5.800 4.124 2.851 5.183 . 0 0 "[ . 1 . 2]" 1
202 1 38 LEU HA 1 39 THR H 2.500 . 2.900 2.334 2.303 2.351 . 0 0 "[ . 1 . 2]" 1
203 1 38 LEU QD 1 39 THR H 5.500 . 6.300 1.758 1.729 1.834 0.071 9 0 "[ . 1 . 2]" 1
204 1 39 THR H 1 39 THR HA 3.000 . 3.600 2.970 2.941 2.984 . 0 0 "[ . 1 . 2]" 1
205 1 39 THR H 1 39 THR HB 3.000 . 3.600 2.483 2.348 2.569 . 0 0 "[ . 1 . 2]" 1
206 1 39 THR H 1 39 THR MG 4.500 . 5.100 2.598 2.480 2.760 . 0 0 "[ . 1 . 2]" 1
207 1 39 THR H 1 114 PHE QB 4.000 . 4.600 3.247 3.142 3.456 . 0 0 "[ . 1 . 2]" 1
208 1 39 THR H 1 115 SER QB 5.000 . 5.800 4.103 3.794 4.551 . 0 0 "[ . 1 . 2]" 1
209 1 39 THR H 1 114 PHE QD 4.000 . 4.600 4.127 4.072 4.168 . 0 0 "[ . 1 . 2]" 1
210 1 39 THR H 1 46 GLU QB 5.000 . 5.800 3.430 2.940 4.338 . 0 0 "[ . 1 . 2]" 1
211 1 39 THR H 1 49 ILE MD 5.500 . 6.300 4.561 4.023 4.954 . 0 0 "[ . 1 . 2]" 1
212 1 39 THR HA 1 40 ARG H 3.000 . 3.600 2.488 2.149 2.780 . 0 0 "[ . 1 . 2]" 1
213 1 39 THR HB 1 40 ARG H 4.000 . 4.600 3.946 3.652 4.383 . 0 0 "[ . 1 . 2]" 1
214 1 39 THR MG 1 40 ARG H 5.500 . 6.300 2.537 1.860 3.425 . 0 0 "[ . 1 . 2]" 1
215 1 40 ARG H 1 46 GLU HA 4.000 . 4.600 3.441 2.559 4.709 0.109 20 0 "[ . 1 . 2]" 1
216 1 40 ARG H 1 41 VAL H 5.000 . 5.800 3.426 2.808 4.005 . 0 0 "[ . 1 . 2]" 1
217 1 40 ARG H 1 47 ARG H 5.000 . 5.800 4.766 3.515 5.808 0.008 8 0 "[ . 1 . 2]" 1
218 1 40 ARG H 1 46 GLU QB 4.000 . 4.600 4.034 3.316 4.260 . 0 0 "[ . 1 . 2]" 1
219 1 40 ARG H 1 40 ARG QB 3.000 . 3.600 2.381 2.178 2.747 . 0 0 "[ . 1 . 2]" 1
220 1 40 ARG HA 1 41 VAL H 3.000 . 3.600 2.556 2.240 2.846 . 0 0 "[ . 1 . 2]" 1
221 1 41 VAL H 1 41 VAL HB 3.000 . 3.600 3.462 2.699 3.788 0.188 3 0 "[ . 1 . 2]" 1
222 1 41 VAL H 1 114 PHE HA 4.000 . 4.600 2.090 1.829 2.423 . 0 0 "[ . 1 . 2]" 1
223 1 41 VAL H 1 42 GLY H 5.000 . 5.800 4.460 2.866 4.698 . 0 0 "[ . 1 . 2]" 1
224 1 41 VAL H 1 113 ILE MG 5.500 . 6.300 4.233 3.072 5.008 . 0 0 "[ . 1 . 2]" 1
225 1 41 VAL H 1 114 PHE QD 5.000 . 5.800 5.145 4.779 5.289 . 0 0 "[ . 1 . 2]" 1
226 1 41 VAL HA 1 42 GLY H 2.500 . 2.900 2.475 2.156 3.009 0.109 8 0 "[ . 1 . 2]" 1
227 1 41 VAL HB 1 42 GLY H 3.000 . 3.600 3.306 2.259 3.861 0.261 8 0 "[ . 1 . 2]" 1
228 1 41 VAL QG 1 42 GLY H 4.500 . 5.100 2.515 1.751 3.689 0.049 15 0 "[ . 1 . 2]" 1
229 1 42 GLY H 1 43 ALA H 3.000 . 3.600 2.893 1.989 3.625 0.025 1 0 "[ . 1 . 2]" 1
230 1 43 ALA H 1 43 ALA HA 3.000 . 3.600 2.903 2.362 2.992 . 0 0 "[ . 1 . 2]" 1
231 1 42 GLY QA 1 43 ALA H 3.000 . 3.600 2.689 2.268 2.936 . 0 0 "[ . 1 . 2]" 1
232 1 43 ALA H 1 44 LYS H 5.000 . 5.800 4.259 2.461 4.677 . 0 0 "[ . 1 . 2]" 1
233 1 43 ALA HA 1 44 LYS H 4.000 . 4.600 2.586 2.204 3.309 . 0 0 "[ . 1 . 2]" 1
234 1 43 ALA MB 1 44 LYS H 5.500 . 6.300 2.501 1.846 3.278 . 0 0 "[ . 1 . 2]" 1
235 1 44 LYS H 1 45 HIS H 4.000 . 4.600 2.580 1.987 3.907 . 0 0 "[ . 1 . 2]" 1
236 1 43 ALA MB 1 45 HIS H 4.500 . 5.100 2.759 2.031 4.248 . 0 0 "[ . 1 . 2]" 1
237 1 45 HIS H 1 46 GLU H 4.000 . 4.600 3.478 2.022 4.346 . 0 0 "[ . 1 . 2]" 1
238 1 44 LYS HA 1 45 HIS H 3.000 . 3.600 3.022 2.211 3.473 . 0 0 "[ . 1 . 2]" 1
239 1 39 THR MG 1 45 HIS H 5.500 . 6.300 5.135 4.287 5.316 . 0 0 "[ . 1 . 2]" 1
240 1 45 HIS H 1 45 HIS QB 3.000 . 3.600 2.869 2.233 3.270 . 0 0 "[ . 1 . 2]" 1
241 1 45 HIS HA 1 46 GLU H 5.000 . 5.800 2.343 2.190 2.858 . 0 0 "[ . 1 . 2]" 1
242 1 46 GLU H 1 46 GLU QB 2.500 . 2.900 2.417 2.012 2.598 . 0 0 "[ . 1 . 2]" 1
243 1 46 GLU H 1 46 GLU QG 3.000 . 3.600 2.552 2.011 3.317 . 0 0 "[ . 1 . 2]" 1
244 1 43 ALA MB 1 46 GLU H 5.500 . 6.300 4.814 3.514 5.295 . 0 0 "[ . 1 . 2]" 1
245 1 46 GLU H 1 47 ARG H 5.000 . 5.800 4.546 4.341 4.693 . 0 0 "[ . 1 . 2]" 1
246 1 39 THR MG 1 46 GLU H 5.500 . 6.300 4.986 4.466 5.290 . 0 0 "[ . 1 . 2]" 1
247 1 45 HIS QB 1 46 GLU H 4.000 . 4.600 3.811 3.073 4.078 . 0 0 "[ . 1 . 2]" 1
248 1 39 THR HB 1 46 GLU H 5.000 . 5.800 4.308 3.853 4.858 . 0 0 "[ . 1 . 2]" 1
249 1 47 ARG H 1 47 ARG QB 3.000 . 3.600 2.920 2.254 3.271 . 0 0 "[ . 1 . 2]" 1
250 1 46 GLU HA 1 47 ARG H 3.000 . 3.600 2.658 2.422 2.906 . 0 0 "[ . 1 . 2]" 1
251 1 46 GLU QB 1 47 ARG H 2.500 . 2.900 2.128 1.796 2.549 0.004 20 0 "[ . 1 . 2]" 1
252 1 46 GLU QG 1 47 ARG H 3.000 . 3.600 2.931 2.166 3.348 . 0 0 "[ . 1 . 2]" 1
253 1 48 HIS H 1 59 CYS H 4.000 . 4.600 3.948 3.459 4.669 0.069 11 0 "[ . 1 . 2]" 1
254 1 48 HIS H 1 49 ILE MD 5.500 . 6.300 4.683 4.175 5.306 . 0 0 "[ . 1 . 2]" 1
255 1 47 ARG QB 1 48 HIS H 4.000 . 4.600 2.620 2.533 2.984 . 0 0 "[ . 1 . 2]" 1
256 1 48 HIS H 1 59 CYS QB 4.000 . 4.600 4.022 3.510 4.132 . 0 0 "[ . 1 . 2]" 1
257 1 48 HIS HA 1 49 ILE H 3.000 . 3.600 2.330 2.204 2.414 . 0 0 "[ . 1 . 2]" 1
258 1 49 ILE H 1 49 ILE HB 3.000 . 3.600 2.908 2.612 3.078 . 0 0 "[ . 1 . 2]" 1
259 1 49 ILE H 1 49 ILE QG 3.000 . 3.600 2.579 2.067 2.735 . 0 0 "[ . 1 . 2]" 1
260 1 49 ILE H 1 49 ILE MD 5.500 . 6.300 3.970 3.687 4.241 . 0 0 "[ . 1 . 2]" 1
261 1 49 ILE H 1 49 ILE MG 4.500 . 5.100 3.974 3.831 4.034 . 0 0 "[ . 1 . 2]" 1
262 1 36 GLY H 1 49 ILE H 4.000 . 4.600 3.688 3.207 4.007 . 0 0 "[ . 1 . 2]" 1
263 1 37 THR HA 1 49 ILE H 3.000 . 3.600 2.645 2.078 2.995 . 0 0 "[ . 1 . 2]" 1
264 1 35 GLU HA 1 49 ILE H 5.000 . 5.800 5.430 4.986 5.754 . 0 0 "[ . 1 . 2]" 1
265 1 37 THR HB 1 49 ILE H 5.000 . 5.800 5.229 4.656 5.632 . 0 0 "[ . 1 . 2]" 1
266 1 49 ILE H 1 125 TRP HH2 5.000 . 5.800 4.263 4.133 4.426 . 0 0 "[ . 1 . 2]" 1
267 1 49 ILE H 1 125 TRP HZ2 5.000 . 5.800 4.194 3.893 4.525 . 0 0 "[ . 1 . 2]" 1
268 1 48 HIS QB 1 49 ILE H 4.000 . 4.600 2.937 2.705 3.574 . 0 0 "[ . 1 . 2]" 1
269 1 49 ILE HB 1 50 PHE H 4.000 . 4.600 3.578 3.461 3.789 . 0 0 "[ . 1 . 2]" 1
270 1 49 ILE MG 1 50 PHE H 4.500 . 5.100 1.952 1.804 2.259 . 0 0 "[ . 1 . 2]" 1
271 1 49 ILE MD 1 50 PHE H 4.500 . 5.100 3.839 3.676 4.268 . 0 0 "[ . 1 . 2]" 1
272 1 50 PHE H 1 58 CYS HA 4.000 . 4.600 3.307 2.389 3.805 . 0 0 "[ . 1 . 2]" 1
273 1 50 PHE H 1 57 ILE H 4.000 . 4.600 3.368 2.751 4.215 . 0 0 "[ . 1 . 2]" 1
274 1 50 PHE H 1 59 CYS H 5.000 . 5.800 5.166 3.992 5.741 . 0 0 "[ . 1 . 2]" 1
275 1 50 PHE H 1 57 ILE MD 5.500 . 6.300 4.387 4.026 5.179 . 0 0 "[ . 1 . 2]" 1
276 1 50 PHE H 1 57 ILE HB 4.000 . 4.600 3.355 2.696 4.607 0.007 12 0 "[ . 1 . 2]" 1
277 1 50 PHE HA 1 51 LEU H 3.000 . 3.600 2.272 2.220 2.355 . 0 0 "[ . 1 . 2]" 1
278 1 50 PHE QB 1 51 LEU H 5.000 . 5.800 3.600 2.874 4.004 . 0 0 "[ . 1 . 2]" 1
279 1 35 GLU HA 1 51 LEU H 4.000 . 4.600 3.539 2.402 4.037 . 0 0 "[ . 1 . 2]" 1
280 1 51 LEU H 1 125 TRP HZ2 5.000 . 5.800 4.297 3.805 5.212 . 0 0 "[ . 1 . 2]" 1
281 1 34 MET QB 1 51 LEU H 5.000 . 5.800 2.859 2.213 3.700 . 0 0 "[ . 1 . 2]" 1
282 1 52 PHE H 1 52 PHE HA 3.000 . 3.600 2.968 2.934 2.992 . 0 0 "[ . 1 . 2]" 1
283 1 51 LEU HA 1 52 PHE H 3.000 . 3.600 2.208 2.148 2.344 . 0 0 "[ . 1 . 2]" 1
284 1 52 PHE H 1 56 MET HA 3.000 . 3.600 3.557 3.073 3.722 0.122 17 0 "[ . 1 . 2]" 1
285 1 52 PHE H 1 55 LEU H 4.000 . 4.600 2.972 2.452 3.692 . 0 0 "[ . 1 . 2]" 1
286 1 52 PHE H 1 55 LEU QB 3.000 . 3.600 2.909 2.383 3.251 . 0 0 "[ . 1 . 2]" 1
287 1 51 LEU QB 1 52 PHE H 4.000 . 4.600 3.624 3.120 3.961 . 0 0 "[ . 1 . 2]" 1
288 1 51 LEU QD 1 52 PHE H 5.500 . 6.300 2.540 1.805 3.543 . 0 0 "[ . 1 . 2]" 1
289 1 53 ASP H 1 53 ASP HA 3.000 . 3.600 2.398 2.306 2.713 . 0 0 "[ . 1 . 2]" 1
290 1 53 ASP H 1 53 ASP QB 3.000 . 3.600 2.895 2.245 3.225 . 0 0 "[ . 1 . 2]" 1
291 1 52 PHE HA 1 53 ASP H 3.000 . 3.600 2.362 2.157 2.750 . 0 0 "[ . 1 . 2]" 1
292 1 53 ASP H 1 54 GLY H 4.000 . 4.600 3.792 2.894 4.274 . 0 0 "[ . 1 . 2]" 1
293 1 34 MET QG 1 53 ASP H 5.000 . 5.800 5.187 4.807 5.309 . 0 0 "[ . 1 . 2]" 1
294 1 33 ILE HA 1 53 ASP H 5.000 . 5.800 4.913 4.020 5.930 0.130 11 0 "[ . 1 . 2]" 1
295 1 33 ILE HB 1 53 ASP H 4.000 . 4.600 2.793 2.057 4.721 0.121 11 0 "[ . 1 . 2]" 1
296 1 33 ILE MD 1 53 ASP H 4.500 . 5.100 3.203 2.270 3.795 . 0 0 "[ . 1 . 2]" 1
297 1 53 ASP H 1 132 LEU QD 5.500 . 6.300 3.839 3.193 4.365 . 0 0 "[ . 1 . 2]" 1
298 1 33 ILE QG 1 53 ASP H 4.000 . 4.600 2.535 1.844 4.190 . 0 0 "[ . 1 . 2]" 1
299 1 53 ASP HA 1 54 GLY H 5.000 . 5.800 3.442 2.899 3.643 . 0 0 "[ . 1 . 2]" 1
300 1 53 ASP QB 1 54 GLY H 4.000 . 4.600 2.618 1.803 4.043 . 0 0 "[ . 1 . 2]" 1
301 1 54 GLY H 1 55 LEU H 3.000 . 3.600 2.508 1.819 3.075 . 0 0 "[ . 1 . 2]" 1
302 1 54 GLY H 1 84 MET QB 5.000 . 5.800 4.715 3.323 5.182 . 0 0 "[ . 1 . 2]" 1
303 1 54 GLY H 1 55 LEU QB 5.000 . 5.800 3.929 3.693 4.389 . 0 0 "[ . 1 . 2]" 1
304 1 52 PHE HA 1 54 GLY H 5.000 . 5.800 4.792 3.928 5.261 . 0 0 "[ . 1 . 2]" 1
305 1 55 LEU H 1 55 LEU QD 4.500 . 5.100 3.812 3.570 3.893 . 0 0 "[ . 1 . 2]" 1
306 1 54 GLY QA 1 55 LEU H 3.000 . 3.600 2.823 2.725 2.962 . 0 0 "[ . 1 . 2]" 1
307 1 55 LEU H 1 56 MET H 4.000 . 4.600 4.266 3.882 4.600 0.000 8 0 "[ . 1 . 2]" 1
308 1 55 LEU H 1 84 MET QB 4.000 . 4.600 3.649 2.706 4.149 . 0 0 "[ . 1 . 2]" 1
309 1 52 PHE HA 1 55 LEU H 4.000 . 4.600 4.497 4.116 4.666 0.066 13 0 "[ . 1 . 2]" 1
310 1 53 ASP H 1 55 LEU H 5.000 . 5.800 4.292 3.936 4.527 . 0 0 "[ . 1 . 2]" 1
311 1 55 LEU HA 1 56 MET H 3.000 . 3.600 2.278 2.207 2.415 . 0 0 "[ . 1 . 2]" 1
312 1 56 MET H 1 84 MET H 5.000 . 5.800 2.911 2.188 3.897 . 0 0 "[ . 1 . 2]" 1
313 1 56 MET H 1 82 PHE H 4.000 . 4.600 3.263 2.796 3.786 . 0 0 "[ . 1 . 2]" 1
314 1 55 LEU QD 1 56 MET H 4.500 . 5.100 2.308 1.659 3.701 0.141 9 0 "[ . 1 . 2]" 1
315 1 56 MET H 1 82 PHE HB2 4.000 . 4.600 4.207 3.686 4.416 . 0 0 "[ . 1 . 2]" 1
316 1 56 MET H 1 56 MET QB 3.000 . 3.600 2.435 2.282 2.637 . 0 0 "[ . 1 . 2]" 1
317 1 56 MET H 1 83 PHE HA 4.000 . 4.600 3.362 2.718 3.644 . 0 0 "[ . 1 . 2]" 1
318 1 56 MET HA 1 57 ILE H 2.500 . 2.900 2.244 2.183 2.319 . 0 0 "[ . 1 . 2]" 1
319 1 57 ILE H 1 57 ILE MG 4.500 . 5.100 3.732 3.081 4.030 . 0 0 "[ . 1 . 2]" 1
320 1 57 ILE HA 1 58 CYS H 3.000 . 3.600 2.358 2.281 2.429 . 0 0 "[ . 1 . 2]" 1
321 1 58 CYS H 1 58 CYS HA 3.000 . 3.600 2.965 2.958 2.979 . 0 0 "[ . 1 . 2]" 1
322 1 58 CYS H 1 80 GLU H 5.000 . 5.800 3.431 3.009 4.008 . 0 0 "[ . 1 . 2]" 1
323 1 57 ILE QG 1 58 CYS H 4.000 . 4.600 4.199 4.107 4.253 . 0 0 "[ . 1 . 2]" 1
324 1 57 ILE MD 1 58 CYS H 5.500 . 6.300 4.676 4.511 4.775 . 0 0 "[ . 1 . 2]" 1
325 1 58 CYS H 1 81 LYS HA 3.000 . 3.600 3.484 3.206 3.625 0.025 9 0 "[ . 1 . 2]" 1
326 1 58 CYS HA 1 59 CYS H 3.000 . 3.600 2.327 2.227 2.416 . 0 0 "[ . 1 . 2]" 1
327 1 58 CYS QB 1 59 CYS H 5.000 . 5.800 3.103 2.566 3.580 . 0 0 "[ . 1 . 2]" 1
328 1 49 ILE HA 1 59 CYS H 5.000 . 5.800 3.329 2.235 3.910 . 0 0 "[ . 1 . 2]" 1
329 1 49 ILE MD 1 59 CYS H 5.500 . 6.300 3.635 2.546 4.699 . 0 0 "[ . 1 . 2]" 1
330 1 49 ILE MG 1 59 CYS H 5.500 . 6.300 4.596 3.388 5.204 . 0 0 "[ . 1 . 2]" 1
331 1 48 HIS QB 1 59 CYS H 4.000 . 4.600 3.337 2.764 4.105 . 0 0 "[ . 1 . 2]" 1
332 1 60 LYS H 1 60 LYS QB 3.000 . 3.600 2.767 2.137 3.092 . 0 0 "[ . 1 . 2]" 1
333 1 59 CYS HA 1 60 LYS H 3.000 . 3.600 2.270 2.187 2.401 . 0 0 "[ . 1 . 2]" 1
334 1 59 CYS QB 1 60 LYS H 4.000 . 4.600 3.611 3.209 4.047 . 0 0 "[ . 1 . 2]" 1
335 1 60 LYS H 1 61 SER H 5.000 . 5.800 3.545 1.895 4.694 . 0 0 "[ . 1 . 2]" 1
336 1 60 LYS H 1 79 LYS HA 5.000 . 5.800 3.510 2.233 4.737 . 0 0 "[ . 1 . 2]" 1
337 1 60 LYS HA 1 61 SER H 3.000 . 3.600 2.725 2.203 3.587 . 0 0 "[ . 1 . 2]" 1
338 1 60 LYS QB 1 61 SER H 4.000 . 4.600 3.108 1.853 4.041 . 0 0 "[ . 1 . 2]" 1
339 1 61 SER H 1 61 SER QB 3.000 . 3.600 2.777 2.210 3.166 . 0 0 "[ . 1 . 2]" 1
340 1 61 SER H 1 62 ASN H 5.000 . 5.800 4.299 2.398 4.691 . 0 0 "[ . 1 . 2]" 1
341 1 62 ASN H 1 62 ASN HA 3.000 . 3.600 2.765 2.345 2.985 . 0 0 "[ . 1 . 2]" 1
342 1 62 ASN H 1 62 ASN QB 3.000 . 3.600 2.646 2.203 3.130 . 0 0 "[ . 1 . 2]" 1
343 1 61 SER HA 1 62 ASN H 3.000 . 3.600 2.546 2.206 3.588 . 0 0 "[ . 1 . 2]" 1
344 1 61 SER QB 1 62 ASN H 3.000 . 3.600 2.702 1.972 3.188 . 0 0 "[ . 1 . 2]" 1
345 1 62 ASN H 1 63 HIS H 4.000 . 4.600 3.930 2.670 4.649 0.049 5 0 "[ . 1 . 2]" 1
346 1 62 ASN H 1 76 TYR HA 3.000 . 3.600 3.294 2.726 3.610 0.010 7 0 "[ . 1 . 2]" 1
347 1 62 ASN H 1 77 ARG H 4.000 . 4.600 3.931 1.873 4.603 0.003 12 0 "[ . 1 . 2]" 1
348 1 63 HIS H 1 63 HIS HA 3.000 . 3.600 2.940 2.788 2.993 . 0 0 "[ . 1 . 2]" 1
349 1 63 HIS H 1 63 HIS QB 2.500 . 2.900 2.418 2.071 2.586 . 0 0 "[ . 1 . 2]" 1
350 1 63 HIS H 1 63 HIS HD2 5.000 . 5.800 4.695 2.004 5.830 0.030 14 0 "[ . 1 . 2]" 1
351 1 63 HIS HA 1 64 GLY H 3.000 . 3.600 2.833 2.192 3.589 . 0 0 "[ . 1 . 2]" 1
352 1 63 HIS QB 1 64 GLY H 4.000 . 4.600 3.078 1.873 4.056 . 0 0 "[ . 1 . 2]" 1
353 1 65 GLN H 1 65 GLN HA 2.500 . 2.900 2.847 2.725 2.973 0.073 8 0 "[ . 1 . 2]" 1
354 1 65 GLN H 1 65 GLN QB 2.500 . 2.900 2.497 2.299 2.635 . 0 0 "[ . 1 . 2]" 1
355 1 65 GLN H 1 65 GLN QG 2.500 . 2.900 2.209 1.907 2.596 . 0 0 "[ . 1 . 2]" 1
356 1 67 ARG H 1 67 ARG HA 2.500 . 2.900 2.888 2.790 2.979 0.079 20 0 "[ . 1 . 2]" 1
357 1 67 ARG H 1 67 ARG QB 2.500 . 2.900 2.512 2.299 2.626 . 0 0 "[ . 1 . 2]" 1
358 1 67 ARG H 1 67 ARG QG 2.500 . 2.900 2.351 1.922 2.601 . 0 0 "[ . 1 . 2]" 1
359 1 67 ARG H 1 67 ARG QD 4.000 . 4.600 2.823 2.027 4.048 . 0 0 "[ . 1 . 2]" 1
360 1 66 PRO QB 1 67 ARG H 3.000 . 3.600 2.474 1.855 3.210 . 0 0 "[ . 1 . 2]" 1
361 1 66 PRO QD 1 67 ARG H 5.000 . 5.800 4.431 2.268 5.003 . 0 0 "[ . 1 . 2]" 1
362 1 67 ARG H 1 68 LEU H 4.000 . 4.600 2.745 2.098 3.483 . 0 0 "[ . 1 . 2]" 1
363 1 68 LEU H 1 68 LEU HA 2.500 . 2.900 2.879 2.350 2.979 0.079 5 0 "[ . 1 . 2]" 1
364 1 68 LEU H 1 68 LEU HG 2.500 . 2.900 2.373 1.831 2.927 0.027 3 0 "[ . 1 . 2]" 1
365 1 68 LEU H 1 68 LEU QD 3.500 . 4.100 2.535 1.841 3.055 . 0 0 "[ . 1 . 2]" 1
366 1 67 ARG QB 1 68 LEU H 3.000 . 3.600 2.494 1.789 3.224 0.011 14 0 "[ . 1 . 2]" 1
367 1 67 ARG QD 1 68 LEU H 4.000 . 4.600 3.872 3.448 4.116 . 0 0 "[ . 1 . 2]" 1
368 1 68 LEU H 1 71 ALA H 5.000 . 5.800 5.676 5.396 5.891 0.091 6 0 "[ . 1 . 2]" 1
369 1 68 LEU H 1 69 PRO QD 4.000 . 4.600 3.611 1.714 4.218 0.086 12 0 "[ . 1 . 2]" 1
370 1 66 PRO QB 1 68 LEU H 5.000 . 5.800 3.325 2.186 5.122 . 0 0 "[ . 1 . 2]" 1
371 1 66 PRO QG 1 68 LEU H 5.000 . 5.800 4.130 2.564 5.207 . 0 0 "[ . 1 . 2]" 1
372 1 70 GLY H 1 70 GLY QA 2.500 . 2.900 2.331 2.246 2.460 . 0 0 "[ . 1 . 2]" 1
373 1 69 PRO HA 1 70 GLY H 2.500 . 2.900 2.381 2.245 2.940 0.040 6 0 "[ . 1 . 2]" 1
374 1 69 PRO QB 1 70 GLY H 3.000 . 3.600 2.864 1.793 3.218 0.007 6 0 "[ . 1 . 2]" 1
375 1 70 GLY H 1 71 ALA MB 5.500 . 6.300 4.303 3.457 5.016 . 0 0 "[ . 1 . 2]" 1
376 1 70 GLY H 1 71 ALA H 3.000 . 3.600 2.768 2.281 3.334 . 0 0 "[ . 1 . 2]" 1
377 1 71 ALA H 1 72 SER H 3.000 . 3.600 2.924 2.011 3.601 0.001 14 0 "[ . 1 . 2]" 1
378 1 72 SER H 1 72 SER HA 3.000 . 3.600 2.953 2.800 2.992 . 0 0 "[ . 1 . 2]" 1
379 1 72 SER H 1 72 SER QB 2.500 . 2.900 2.413 2.078 2.585 . 0 0 "[ . 1 . 2]" 1
380 1 76 TYR H 1 77 ARG H 5.000 . 5.800 4.285 2.776 4.709 . 0 0 "[ . 1 . 2]" 1
381 1 76 TYR HA 1 77 ARG H 3.000 . 3.600 2.408 2.197 2.815 . 0 0 "[ . 1 . 2]" 1
382 1 77 ARG HA 1 78 LEU H 3.000 . 3.600 2.801 2.191 3.590 . 0 0 "[ . 1 . 2]" 1
383 1 80 GLU H 1 80 GLU HA 3.000 . 3.600 2.986 2.958 2.991 . 0 0 "[ . 1 . 2]" 1
384 1 80 GLU H 1 80 GLU HB2 3.000 . 3.600 3.680 3.613 3.774 0.174 7 0 "[ . 1 . 2]" 1
385 1 80 GLU H 1 80 GLU HB3 3.000 . 3.600 3.345 3.152 3.532 . 0 0 "[ . 1 . 2]" 1
386 1 59 CYS HA 1 80 GLU H 4.000 . 4.600 3.747 3.452 3.999 . 0 0 "[ . 1 . 2]" 1
387 1 80 GLU H 1 81 LYS H 4.000 . 4.600 4.503 4.428 4.574 . 0 0 "[ . 1 . 2]" 1
388 1 57 ILE MG 1 80 GLU H 5.500 . 6.300 4.631 3.779 5.256 . 0 0 "[ . 1 . 2]" 1
389 1 59 CYS QB 1 80 GLU H 5.000 . 5.800 5.127 5.001 5.204 . 0 0 "[ . 1 . 2]" 1
390 1 79 LYS HA 1 80 GLU H 3.000 . 3.600 2.502 2.189 3.555 . 0 0 "[ . 1 . 2]" 1
391 1 80 GLU HA 1 81 LYS H 2.500 . 2.900 2.439 2.323 2.531 . 0 0 "[ . 1 . 2]" 1
392 1 80 GLU HB3 1 81 LYS H 3.000 . 3.600 3.618 3.543 3.681 0.081 5 0 "[ . 1 . 2]" 1
393 1 80 GLU HB2 1 81 LYS H 3.000 . 3.600 2.485 2.323 2.692 . 0 0 "[ . 1 . 2]" 1
394 1 81 LYS H 1 81 LYS QB 3.000 . 3.600 3.184 3.106 3.244 . 0 0 "[ . 1 . 2]" 1
395 1 81 LYS H 1 82 PHE H 5.000 . 5.800 4.343 4.194 4.413 . 0 0 "[ . 1 . 2]" 1
396 1 81 LYS H 1 82 PHE QE 4.000 . 4.600 3.734 3.453 4.105 . 0 0 "[ . 1 . 2]" 1
397 1 81 LYS QB 1 82 PHE H 3.000 . 3.600 2.857 2.635 3.217 . 0 0 "[ . 1 . 2]" 1
398 1 82 PHE H 1 82 PHE HA 3.000 . 3.600 2.971 2.950 2.992 . 0 0 "[ . 1 . 2]" 1
399 1 82 PHE H 1 82 PHE HB3 4.000 . 4.600 3.771 3.668 3.833 . 0 0 "[ . 1 . 2]" 1
400 1 57 ILE HA 1 82 PHE H 3.000 . 3.600 3.469 3.234 3.624 0.024 14 0 "[ . 1 . 2]" 1
401 1 82 PHE H 1 82 PHE QD 3.000 . 3.600 3.132 2.802 3.233 . 0 0 "[ . 1 . 2]" 1
402 1 55 LEU QD 1 82 PHE H 5.500 . 6.300 3.066 2.489 4.181 . 0 0 "[ . 1 . 2]" 1
403 1 57 ILE MG 1 82 PHE H 5.500 . 6.300 4.398 3.431 4.982 . 0 0 "[ . 1 . 2]" 1
404 1 56 MET QB 1 82 PHE H 3.000 . 3.600 2.995 2.141 3.231 . 0 0 "[ . 1 . 2]" 1
405 1 83 PHE H 1 83 PHE HB3 3.000 . 3.600 3.650 3.611 3.706 0.106 6 0 "[ . 1 . 2]" 1
406 1 83 PHE H 1 83 PHE HB2 2.500 . 2.900 2.441 2.345 2.684 . 0 0 "[ . 1 . 2]" 1
407 1 82 PHE HA 1 83 PHE H 2.500 . 2.900 2.605 2.438 2.735 . 0 0 "[ . 1 . 2]" 1
408 1 82 PHE HB3 1 83 PHE H 4.000 . 4.600 2.099 1.866 2.452 . 0 0 "[ . 1 . 2]" 1
409 1 82 PHE H 1 83 PHE H 4.000 . 4.600 4.413 4.343 4.474 . 0 0 "[ . 1 . 2]" 1
410 1 83 PHE H 1 83 PHE QD 3.000 . 3.600 2.772 2.341 3.167 . 0 0 "[ . 1 . 2]" 1
411 1 82 PHE QD 1 83 PHE H 3.000 . 3.600 3.231 3.207 3.244 . 0 0 "[ . 1 . 2]" 1
412 1 55 LEU HA 1 84 MET H 4.000 . 4.600 2.466 1.866 2.952 . 0 0 "[ . 1 . 2]" 1
413 1 83 PHE HB3 1 84 MET H 4.000 . 4.600 3.705 3.034 4.134 . 0 0 "[ . 1 . 2]" 1
414 1 83 PHE HB2 1 84 MET H 4.000 . 4.600 4.421 4.159 4.568 . 0 0 "[ . 1 . 2]" 1
415 1 84 MET H 1 84 MET HA 3.000 . 3.600 2.971 2.949 2.996 . 0 0 "[ . 1 . 2]" 1
416 1 84 MET H 1 84 MET QB 3.000 . 3.600 2.334 2.146 2.505 . 0 0 "[ . 1 . 2]" 1
417 1 84 MET H 1 85 ARG H 4.000 . 4.600 3.561 3.106 4.055 . 0 0 "[ . 1 . 2]" 1
418 1 83 PHE HA 1 84 MET H 3.000 . 3.600 2.235 2.192 2.349 . 0 0 "[ . 1 . 2]" 1
419 1 55 LEU QD 1 84 MET H 4.500 . 5.100 3.769 3.405 3.823 . 0 0 "[ . 1 . 2]" 1
420 1 84 MET H 1 84 MET QG 4.000 . 4.600 3.988 3.617 4.177 . 0 0 "[ . 1 . 2]" 1
421 1 84 MET HA 1 85 ARG H 3.000 . 3.600 2.574 2.301 2.769 . 0 0 "[ . 1 . 2]" 1
422 1 84 MET QB 1 85 ARG H 4.000 . 4.600 3.977 3.889 4.079 . 0 0 "[ . 1 . 2]" 1
423 1 85 ARG H 1 85 ARG HA 2.500 . 2.900 2.968 2.944 2.978 0.078 12 0 "[ . 1 . 2]" 1
424 1 85 ARG H 1 85 ARG QG 3.000 . 3.600 2.805 1.804 3.222 . 0 0 "[ . 1 . 2]" 1
425 1 85 ARG H 1 85 ARG QD 3.000 . 3.600 2.141 1.805 3.191 . 0 0 "[ . 1 . 2]" 1
426 1 85 ARG H 1 86 LYS HA 4.000 . 4.600 4.593 4.481 4.635 0.035 16 0 "[ . 1 . 2]" 1
427 1 85 ARG H 1 87 VAL QG 5.500 . 6.300 2.689 1.908 3.241 . 0 0 "[ . 1 . 2]" 1
428 1 83 PHE HB2 1 85 ARG H 5.000 . 5.800 4.383 3.639 5.308 . 0 0 "[ . 1 . 2]" 1
429 1 85 ARG H 1 86 LYS H 4.000 . 4.600 1.863 1.814 2.318 . 0 0 "[ . 1 . 2]" 1
430 1 85 ARG QD 1 86 LYS H 4.000 . 4.600 2.792 1.849 3.295 . 0 0 "[ . 1 . 2]" 1
431 1 86 LYS H 1 86 LYS HA 2.500 . 2.900 2.961 2.941 2.965 0.065 19 0 "[ . 1 . 2]" 1
432 1 86 LYS H 1 86 LYS HB3 3.000 . 3.600 3.200 2.808 3.394 . 0 0 "[ . 1 . 2]" 1
433 1 86 LYS H 1 86 LYS HB2 3.000 . 3.600 3.674 3.621 3.741 0.141 14 0 "[ . 1 . 2]" 1
434 1 86 LYS H 1 86 LYS QG 4.000 . 4.600 1.973 1.731 2.804 0.069 11 0 "[ . 1 . 2]" 1
435 1 86 LYS H 1 86 LYS QD 4.000 . 4.600 2.728 1.760 3.364 0.040 9 0 "[ . 1 . 2]" 1
436 1 86 LYS H 1 86 LYS QE 2.500 . 2.900 2.287 1.787 2.597 0.013 16 0 "[ . 1 . 2]" 1
437 1 86 LYS H 1 87 VAL H 3.000 . 3.600 2.616 2.406 2.863 . 0 0 "[ . 1 . 2]" 1
438 1 86 LYS H 1 87 VAL QG 5.500 . 6.300 2.602 2.325 3.053 . 0 0 "[ . 1 . 2]" 1
439 1 86 LYS H 1 87 VAL HA 5.000 . 5.800 4.697 4.501 4.842 . 0 0 "[ . 1 . 2]" 1
440 1 86 LYS HA 1 87 VAL H 2.500 . 2.900 2.891 2.818 2.945 0.045 1 0 "[ . 1 . 2]" 1
441 1 86 LYS QG 1 87 VAL H 4.000 . 4.600 3.849 3.404 4.147 . 0 0 "[ . 1 . 2]" 1
442 1 86 LYS QD 1 87 VAL H 4.000 . 4.600 3.915 3.637 4.200 . 0 0 "[ . 1 . 2]" 1
443 1 86 LYS QE 1 87 VAL H 5.000 . 5.800 3.701 2.434 4.663 . 0 0 "[ . 1 . 2]" 1
444 1 85 ARG QD 1 87 VAL H 5.000 . 5.800 4.919 4.195 5.186 . 0 0 "[ . 1 . 2]" 1
445 1 87 VAL H 1 87 VAL HA 2.500 . 2.900 2.977 2.947 2.985 0.085 5 0 "[ . 1 . 2]" 1
446 1 87 VAL H 1 87 VAL QG 3.500 . 4.100 1.891 1.737 2.072 0.063 8 0 "[ . 1 . 2]" 1
447 1 85 ARG HA 1 87 VAL H 3.000 . 3.600 3.724 3.682 3.790 0.190 8 0 "[ . 1 . 2]" 1
448 1 85 ARG H 1 87 VAL H 5.000 . 5.800 3.440 2.889 3.806 . 0 0 "[ . 1 . 2]" 1
449 1 87 VAL H 1 88 GLN QG 5.000 . 5.800 4.529 4.157 4.974 . 0 0 "[ . 1 . 2]" 1
450 1 87 VAL H 1 88 GLN H 4.000 . 4.600 4.543 4.495 4.617 0.017 16 0 "[ . 1 . 2]" 1
451 1 88 GLN H 1 88 GLN HA 3.000 . 3.600 2.983 2.957 2.995 . 0 0 "[ . 1 . 2]" 1
452 1 88 GLN H 1 88 GLN HB3 4.000 . 4.600 3.812 3.722 3.886 . 0 0 "[ . 1 . 2]" 1
453 1 88 GLN H 1 88 GLN HB2 3.000 . 3.600 2.678 2.544 2.813 . 0 0 "[ . 1 . 2]" 1
454 1 88 GLN H 1 88 GLN QG 4.000 . 4.600 3.278 2.898 3.739 . 0 0 "[ . 1 . 2]" 1
455 1 87 VAL HA 1 88 GLN H 2.500 . 2.900 2.380 2.309 2.406 . 0 0 "[ . 1 . 2]" 1
456 1 87 VAL HB 1 88 GLN H 2.500 . 2.900 2.670 2.562 2.821 . 0 0 "[ . 1 . 2]" 1
457 1 87 VAL QG 1 88 GLN H 3.500 . 4.100 3.064 3.045 3.093 . 0 0 "[ . 1 . 2]" 1
458 1 88 GLN H 1 89 ILE HA 5.000 . 5.800 4.712 4.473 4.853 . 0 0 "[ . 1 . 2]" 1
459 1 88 GLN H 1 104 ILE MG 4.500 . 5.100 2.365 1.906 2.712 . 0 0 "[ . 1 . 2]" 1
460 1 88 GLN HA 1 89 ILE H 2.500 . 2.900 2.217 2.179 2.280 . 0 0 "[ . 1 . 2]" 1
461 1 88 GLN HB3 1 89 ILE H 3.000 . 3.600 3.199 2.913 3.537 . 0 0 "[ . 1 . 2]" 1
462 1 88 GLN QG 1 89 ILE H 4.000 . 4.600 3.988 3.815 4.111 . 0 0 "[ . 1 . 2]" 1
463 1 89 ILE H 1 89 ILE HB 2.500 . 2.900 2.886 2.621 2.998 0.098 1 0 "[ . 1 . 2]" 1
464 1 89 ILE H 1 89 ILE QG 4.000 . 4.600 3.927 3.889 4.075 . 0 0 "[ . 1 . 2]" 1
465 1 89 ILE H 1 130 ILE HA 5.000 . 5.800 4.725 4.367 5.082 . 0 0 "[ . 1 . 2]" 1
466 1 89 ILE H 1 90 ASN H 5.000 . 5.800 4.581 4.507 4.613 . 0 0 "[ . 1 . 2]" 1
467 1 90 ASN H 1 90 ASN HA 3.000 . 3.600 2.986 2.979 2.990 . 0 0 "[ . 1 . 2]" 1
468 1 90 ASN H 1 90 ASN HB3 3.000 . 3.600 3.678 3.645 3.724 0.124 5 0 "[ . 1 . 2]" 1
469 1 90 ASN H 1 90 ASN HB2 3.000 . 3.600 2.481 2.413 2.559 . 0 0 "[ . 1 . 2]" 1
470 1 89 ILE HA 1 90 ASN H 2.500 . 2.900 2.224 2.188 2.303 . 0 0 "[ . 1 . 2]" 1
471 1 89 ILE QG 1 90 ASN H 3.000 . 3.600 2.452 2.194 2.638 . 0 0 "[ . 1 . 2]" 1
472 1 90 ASN H 1 104 ILE HA 4.000 . 4.600 3.081 2.830 3.463 . 0 0 "[ . 1 . 2]" 1
473 1 90 ASN HA 1 91 ASP H 2.500 . 2.900 2.294 2.227 2.607 . 0 0 "[ . 1 . 2]" 1
474 1 91 ASP H 1 91 ASP HA 3.000 . 3.600 2.900 2.776 2.992 . 0 0 "[ . 1 . 2]" 1
475 1 91 ASP H 1 91 ASP QB 2.500 . 2.900 2.392 2.256 2.591 . 0 0 "[ . 1 . 2]" 1
476 1 89 ILE MD 1 91 ASP H 5.500 . 6.300 4.192 3.872 4.624 . 0 0 "[ . 1 . 2]" 1
477 1 91 ASP HA 1 92 LYS H 3.000 . 3.600 2.374 2.189 2.648 . 0 0 "[ . 1 . 2]" 1
478 1 91 ASP QB 1 92 LYS H 5.000 . 5.800 3.501 2.439 4.068 . 0 0 "[ . 1 . 2]" 1
479 1 92 LYS H 1 102 PHE HA 4.000 . 4.600 3.967 2.636 4.594 . 0 0 "[ . 1 . 2]" 1
480 1 93 ASP H 1 93 ASP HA 2.500 . 2.900 2.898 2.363 2.982 0.082 1 0 "[ . 1 . 2]" 1
481 1 93 ASP H 1 93 ASP HB2 2.500 . 2.900 2.657 2.297 3.104 0.204 15 0 "[ . 1 . 2]" 1
482 1 93 ASP H 1 94 ASP H 3.000 . 3.600 3.290 2.704 3.648 0.048 15 0 "[ . 1 . 2]" 1
483 1 93 ASP HA 1 94 ASP H 2.500 . 2.900 2.606 2.245 2.904 0.004 18 0 "[ . 1 . 2]" 1
484 1 94 ASP H 1 94 ASP HA 3.000 . 3.600 2.867 2.755 2.993 . 0 0 "[ . 1 . 2]" 1
485 1 94 ASP H 1 94 ASP QB 2.500 . 2.900 2.356 2.080 2.597 . 0 0 "[ . 1 . 2]" 1
486 1 94 ASP HA 1 95 THR H 3.000 . 3.600 3.066 2.215 3.592 . 0 0 "[ . 1 . 2]" 1
487 1 94 ASP QB 1 95 THR H 3.000 . 3.600 2.538 1.847 3.286 . 0 0 "[ . 1 . 2]" 1
488 1 95 THR H 1 95 THR HA 3.000 . 3.600 2.941 2.328 2.994 . 0 0 "[ . 1 . 2]" 1
489 1 95 THR H 1 95 THR HB 4.000 . 4.600 3.741 3.467 4.103 . 0 0 "[ . 1 . 2]" 1
490 1 95 THR H 1 95 THR MG 3.500 . 4.100 3.198 2.527 3.467 . 0 0 "[ . 1 . 2]" 1
491 1 95 THR H 1 98 TYR H 3.000 . 3.600 3.631 3.516 3.735 0.135 18 0 "[ . 1 . 2]" 1
492 1 96 SER H 1 96 SER HA 3.000 . 3.600 2.777 2.366 2.876 . 0 0 "[ . 1 . 2]" 1
493 1 96 SER H 1 96 SER QB 3.000 . 3.600 2.446 2.132 3.072 . 0 0 "[ . 1 . 2]" 1
494 1 95 THR HA 1 96 SER H 3.000 . 3.600 2.291 2.203 2.798 . 0 0 "[ . 1 . 2]" 1
495 1 95 THR HB 1 96 SER H 3.000 . 3.600 3.008 1.793 3.348 0.007 9 0 "[ . 1 . 2]" 1
496 1 95 THR MG 1 96 SER H 4.500 . 5.100 3.647 3.115 4.132 . 0 0 "[ . 1 . 2]" 1
497 1 96 SER H 1 97 GLU H 4.000 . 4.600 2.675 2.459 2.803 . 0 0 "[ . 1 . 2]" 1
498 1 97 GLU H 1 97 GLU HA 2.500 . 2.900 2.905 2.819 2.978 0.078 15 0 "[ . 1 . 2]" 1
499 1 97 GLU H 1 97 GLU QB 3.000 . 3.600 2.559 2.302 3.329 . 0 0 "[ . 1 . 2]" 1
500 1 97 GLU H 1 97 GLU QG 2.500 . 2.900 2.288 2.007 2.592 . 0 0 "[ . 1 . 2]" 1
501 1 96 SER HA 1 97 GLU H 4.000 . 4.600 3.423 3.242 3.481 . 0 0 "[ . 1 . 2]" 1
502 1 96 SER QB 1 97 GLU H 3.000 . 3.600 3.075 2.933 3.348 . 0 0 "[ . 1 . 2]" 1
503 1 95 THR MG 1 97 GLU H 4.500 . 5.100 3.942 3.617 4.297 . 0 0 "[ . 1 . 2]" 1
504 1 95 THR HA 1 97 GLU H 3.000 . 3.600 3.585 2.722 3.716 0.116 1 0 "[ . 1 . 2]" 1
505 1 95 THR HB 1 97 GLU H 3.000 . 3.600 2.462 2.128 3.840 0.240 18 0 "[ . 1 . 2]" 1
506 1 97 GLU H 1 98 TYR H 2.500 . 2.900 2.467 2.015 2.830 . 0 0 "[ . 1 . 2]" 1
507 1 97 GLU QB 1 98 TYR H 3.000 . 3.600 2.678 2.272 3.294 . 0 0 "[ . 1 . 2]" 1
508 1 98 TYR H 1 98 TYR HA 2.500 . 2.900 2.785 2.344 2.982 0.082 3 0 "[ . 1 . 2]" 1
509 1 98 TYR H 1 98 TYR QB 3.000 . 3.600 2.781 2.067 3.231 . 0 0 "[ . 1 . 2]" 1
510 1 98 TYR H 1 99 LYS H 4.000 . 4.600 4.300 2.555 4.647 0.047 5 0 "[ . 1 . 2]" 1
511 1 98 TYR HA 1 99 LYS H 2.500 . 2.900 2.547 2.209 3.189 0.289 14 0 "[ . 1 . 2]" 1
512 1 98 TYR QB 1 99 LYS H 3.000 . 3.600 2.677 1.859 3.373 . 0 0 "[ . 1 . 2]" 1
513 1 99 LYS H 1 99 LYS HA 2.500 . 2.900 2.784 2.345 2.981 0.081 4 0 "[ . 1 . 2]" 1
514 1 99 LYS H 1 99 LYS QB 3.000 . 3.600 2.671 2.106 3.227 . 0 0 "[ . 1 . 2]" 1
515 1 99 LYS H 1 99 LYS QD 4.000 . 4.600 3.241 1.859 4.031 . 0 0 "[ . 1 . 2]" 1
516 1 100 HIS H 1 100 HIS HA 3.000 . 3.600 2.855 2.346 2.993 . 0 0 "[ . 1 . 2]" 1
517 1 99 LYS HA 1 100 HIS H 3.000 . 3.600 2.774 2.192 3.590 . 0 0 "[ . 1 . 2]" 1
518 1 99 LYS QB 1 100 HIS H 3.000 . 3.600 2.562 1.812 3.354 . 0 0 "[ . 1 . 2]" 1
519 1 100 HIS H 1 101 ALA H 3.000 . 3.600 2.702 1.862 3.641 0.041 1 0 "[ . 1 . 2]" 1
520 1 100 HIS HA 1 101 ALA H 3.000 . 3.600 3.129 2.265 3.583 . 0 0 "[ . 1 . 2]" 1
521 1 100 HIS QB 1 101 ALA H 4.000 . 4.600 3.078 1.846 4.034 . 0 0 "[ . 1 . 2]" 1
522 1 101 ALA H 1 115 SER QB 5.000 . 5.800 4.662 3.956 5.177 . 0 0 "[ . 1 . 2]" 1
523 1 101 ALA H 1 102 PHE QD 5.000 . 5.800 5.038 4.534 5.209 . 0 0 "[ . 1 . 2]" 1
524 1 101 ALA H 1 102 PHE H 5.000 . 5.800 4.224 4.142 4.343 . 0 0 "[ . 1 . 2]" 1
525 1 101 ALA HA 1 102 PHE H 2.500 . 2.900 2.917 2.780 3.000 0.100 1 0 "[ . 1 . 2]" 1
526 1 101 ALA MB 1 102 PHE H 3.500 . 4.100 1.862 1.800 2.011 0.000 1 0 "[ . 1 . 2]" 1
527 1 102 PHE H 1 114 PHE H 3.000 . 3.600 3.448 3.291 3.578 . 0 0 "[ . 1 . 2]" 1
528 1 102 PHE H 1 115 SER HA 3.000 . 3.600 3.555 3.358 3.655 0.055 16 0 "[ . 1 . 2]" 1
529 1 102 PHE H 1 115 SER QB 5.000 . 5.800 4.246 3.786 4.841 . 0 0 "[ . 1 . 2]" 1
530 1 102 PHE H 1 113 ILE MG 4.500 . 5.100 3.336 3.142 3.672 . 0 0 "[ . 1 . 2]" 1
531 1 102 PHE H 1 102 PHE QD 3.000 . 3.600 2.890 2.476 3.217 . 0 0 "[ . 1 . 2]" 1
532 1 102 PHE H 1 113 ILE MD 5.500 . 6.300 5.337 5.272 5.410 . 0 0 "[ . 1 . 2]" 1
533 1 41 VAL QG 1 102 PHE H 5.500 . 6.300 3.976 2.683 4.671 . 0 0 "[ . 1 . 2]" 1
534 1 102 PHE HA 1 103 GLU H 3.000 . 3.600 2.308 2.220 2.422 . 0 0 "[ . 1 . 2]" 1
535 1 102 PHE QB 1 103 GLU H 3.000 . 3.600 2.959 2.588 3.222 . 0 0 "[ . 1 . 2]" 1
536 1 91 ASP HA 1 103 GLU H 4.000 . 4.600 3.592 3.339 3.809 . 0 0 "[ . 1 . 2]" 1
537 1 103 GLU H 1 103 GLU HA 3.000 . 3.600 2.976 2.955 2.993 . 0 0 "[ . 1 . 2]" 1
538 1 103 GLU H 1 113 ILE MG 5.500 . 6.300 3.838 3.416 4.483 . 0 0 "[ . 1 . 2]" 1
539 1 103 GLU H 1 113 ILE QG 5.000 . 5.800 4.894 4.527 5.228 . 0 0 "[ . 1 . 2]" 1
540 1 89 ILE MD 1 103 GLU H 5.500 . 6.300 4.675 4.295 5.038 . 0 0 "[ . 1 . 2]" 1
541 1 90 ASN HB2 1 103 GLU H 3.000 . 3.600 3.624 3.555 3.669 0.069 15 0 "[ . 1 . 2]" 1
542 1 103 GLU H 1 104 ILE H 5.000 . 5.800 4.122 3.900 4.216 . 0 0 "[ . 1 . 2]" 1
543 1 104 ILE H 1 104 ILE HB 3.000 . 3.600 2.301 2.256 2.392 . 0 0 "[ . 1 . 2]" 1
544 1 104 ILE H 1 104 ILE QG 4.000 . 4.600 3.421 2.755 3.680 . 0 0 "[ . 1 . 2]" 1
545 1 104 ILE H 1 104 ILE MG 4.500 . 5.100 3.666 3.639 3.693 . 0 0 "[ . 1 . 2]" 1
546 1 104 ILE H 1 104 ILE MD 4.500 . 5.100 2.386 1.870 3.822 . 0 0 "[ . 1 . 2]" 1
547 1 103 GLU HA 1 104 ILE H 3.000 . 3.600 2.160 2.105 2.184 . 0 0 "[ . 1 . 2]" 1
548 1 104 ILE H 1 113 ILE HA 4.000 . 4.600 2.385 2.267 2.482 . 0 0 "[ . 1 . 2]" 1
549 1 104 ILE H 1 112 VAL H 4.000 . 4.600 4.104 3.975 4.191 . 0 0 "[ . 1 . 2]" 1
550 1 104 ILE H 1 111 SER HA 5.000 . 5.800 5.638 5.371 5.819 0.019 10 0 "[ . 1 . 2]" 1
551 1 104 ILE H 1 114 PHE H 5.000 . 5.800 3.926 3.768 4.139 . 0 0 "[ . 1 . 2]" 1
552 1 104 ILE H 1 113 ILE MG 5.500 . 6.300 3.705 3.393 4.105 . 0 0 "[ . 1 . 2]" 1
553 1 104 ILE H 1 112 VAL HA 5.000 . 5.800 4.994 4.845 5.137 . 0 0 "[ . 1 . 2]" 1
554 1 88 GLN H 1 105 ILE H 4.000 . 4.600 2.538 2.279 2.719 . 0 0 "[ . 1 . 2]" 1
555 1 89 ILE HA 1 105 ILE H 4.000 . 4.600 4.149 3.934 4.460 . 0 0 "[ . 1 . 2]" 1
556 1 105 ILE H 1 105 ILE QG 4.000 . 4.600 3.419 3.102 3.811 . 0 0 "[ . 1 . 2]" 1
557 1 105 ILE H 1 105 ILE MG 4.500 . 5.100 3.791 3.764 3.833 . 0 0 "[ . 1 . 2]" 1
558 1 105 ILE H 1 106 LEU H 5.000 . 5.800 4.460 4.428 4.496 . 0 0 "[ . 1 . 2]" 1
559 1 88 GLN HB2 1 105 ILE H 4.000 . 4.600 4.086 3.765 4.452 . 0 0 "[ . 1 . 2]" 1
560 1 87 VAL HA 1 105 ILE H 5.000 . 5.800 4.136 3.824 4.374 . 0 0 "[ . 1 . 2]" 1
561 1 90 ASN H 1 105 ILE H 5.000 . 5.800 5.314 5.005 5.743 . 0 0 "[ . 1 . 2]" 1
562 1 106 LEU H 1 106 LEU HA 3.000 . 3.600 2.955 2.952 2.958 . 0 0 "[ . 1 . 2]" 1
563 1 106 LEU H 1 106 LEU HB2 3.000 . 3.600 2.373 2.356 2.434 . 0 0 "[ . 1 . 2]" 1
564 1 106 LEU H 1 106 LEU HB3 3.000 . 3.600 3.620 3.610 3.636 0.036 10 0 "[ . 1 . 2]" 1
565 1 106 LEU H 1 106 LEU QD 3.500 . 4.100 3.064 2.874 3.110 . 0 0 "[ . 1 . 2]" 1
566 1 106 LEU H 1 111 SER HA 3.000 . 3.600 2.444 1.818 2.630 . 0 0 "[ . 1 . 2]" 1
567 1 106 LEU H 1 111 SER QB 5.000 . 5.800 4.124 3.281 4.382 . 0 0 "[ . 1 . 2]" 1
568 1 106 LEU H 1 112 VAL QG 5.500 . 6.300 4.129 3.901 4.312 . 0 0 "[ . 1 . 2]" 1
569 1 105 ILE HA 1 106 LEU H 3.000 . 3.600 2.270 2.237 2.288 . 0 0 "[ . 1 . 2]" 1
570 1 105 ILE QG 1 106 LEU H 4.000 . 4.600 3.667 3.617 3.745 . 0 0 "[ . 1 . 2]" 1
571 1 106 LEU H 1 110 ASN QB 5.000 . 5.800 4.017 3.898 4.841 . 0 0 "[ . 1 . 2]" 1
572 1 104 ILE MG 1 106 LEU H 5.500 . 6.300 4.290 4.194 4.366 . 0 0 "[ . 1 . 2]" 1
573 1 106 LEU H 1 106 LEU HG 3.000 . 3.600 2.767 2.729 2.813 . 0 0 "[ . 1 . 2]" 1
574 1 106 LEU HA 1 107 LYS H 2.500 . 2.900 2.445 2.347 2.972 0.072 10 0 "[ . 1 . 2]" 1
575 1 107 LYS H 1 107 LYS HA 2.500 . 2.900 2.954 2.928 2.966 0.066 1 0 "[ . 1 . 2]" 1
576 1 107 LYS H 1 107 LYS QG 3.000 . 3.600 2.781 1.775 3.229 0.025 4 0 "[ . 1 . 2]" 1
577 1 107 LYS H 1 108 ASP H 3.000 . 3.600 2.542 1.860 2.661 . 0 0 "[ . 1 . 2]" 1
578 1 107 LYS H 1 108 ASP QB 4.000 . 4.600 3.884 3.383 4.051 . 0 0 "[ . 1 . 2]" 1
579 1 107 LYS H 1 109 GLY H 4.000 . 4.600 4.554 3.339 4.651 0.051 12 0 "[ . 1 . 2]" 1
580 1 106 LEU QD 1 107 LYS H 3.500 . 4.100 3.088 3.077 3.126 . 0 0 "[ . 1 . 2]" 1
581 1 108 ASP H 1 108 ASP HA 2.500 . 2.900 2.973 2.956 2.978 0.078 8 0 "[ . 1 . 2]" 1
582 1 108 ASP H 1 108 ASP QB 2.500 . 2.900 2.370 2.269 2.640 . 0 0 "[ . 1 . 2]" 1
583 1 108 ASP H 1 109 GLY H 2.500 . 2.900 2.180 1.785 2.311 0.015 10 0 "[ . 1 . 2]" 1
584 1 106 LEU HB2 1 108 ASP H 2.500 . 2.900 2.932 2.907 2.990 0.090 10 0 "[ . 1 . 2]" 1
585 1 108 ASP H 1 109 GLY QA 4.000 . 4.600 4.126 3.954 4.181 . 0 0 "[ . 1 . 2]" 1
586 1 108 ASP HA 1 109 GLY H 3.000 . 3.600 3.566 3.449 3.583 . 0 0 "[ . 1 . 2]" 1
587 1 108 ASP QB 1 109 GLY H 3.000 . 3.600 2.519 2.308 3.235 . 0 0 "[ . 1 . 2]" 1
588 1 109 GLY H 1 109 GLY QA 2.500 . 2.900 2.518 2.493 2.529 . 0 0 "[ . 1 . 2]" 1
589 1 106 LEU QD 1 109 GLY H 4.500 . 5.100 3.665 3.396 3.821 . 0 0 "[ . 1 . 2]" 1
590 1 106 LEU HB3 1 109 GLY H 4.000 . 4.600 3.311 3.208 3.446 . 0 0 "[ . 1 . 2]" 1
591 1 106 LEU HB2 1 109 GLY H 3.000 . 3.600 2.797 2.723 3.002 . 0 0 "[ . 1 . 2]" 1
592 1 109 GLY QA 1 110 ASN H 3.000 . 3.600 2.868 2.659 2.973 . 0 0 "[ . 1 . 2]" 1
593 1 110 ASN H 1 110 ASN HA 2.500 . 2.900 2.965 2.955 2.973 0.073 4 0 "[ . 1 . 2]" 1
594 1 110 ASN H 1 110 ASN QB 2.500 . 2.900 2.508 2.232 2.693 . 0 0 "[ . 1 . 2]" 1
595 1 108 ASP HA 1 110 ASN H 5.000 . 5.800 5.333 5.098 5.703 . 0 0 "[ . 1 . 2]" 1
596 1 106 LEU HG 1 110 ASN H 4.000 . 4.600 4.652 4.617 4.690 0.090 16 0 "[ . 1 . 2]" 1
597 1 106 LEU QD 1 110 ASN H 3.500 . 4.100 2.988 1.906 3.093 . 0 0 "[ . 1 . 2]" 1
598 1 106 LEU HB3 1 110 ASN H 3.000 . 3.600 3.533 3.382 3.611 0.011 4 0 "[ . 1 . 2]" 1
599 1 107 LYS HA 1 110 ASN H 5.000 . 5.800 5.459 5.317 5.839 0.039 10 0 "[ . 1 . 2]" 1
600 1 108 ASP H 1 110 ASN H 3.000 . 3.600 3.420 3.381 3.613 0.013 10 0 "[ . 1 . 2]" 1
601 1 106 LEU H 1 110 ASN H 4.000 . 4.600 3.524 3.336 4.342 . 0 0 "[ . 1 . 2]" 1
602 1 110 ASN HA 1 111 SER H 2.500 . 2.900 2.743 2.652 2.935 0.035 10 0 "[ . 1 . 2]" 1
603 1 110 ASN QB 1 111 SER H 2.500 . 2.900 1.956 1.861 2.109 . 0 0 "[ . 1 . 2]" 1
604 1 111 SER H 1 111 SER HA 2.500 . 2.900 2.946 2.940 2.972 0.072 10 0 "[ . 1 . 2]" 1
605 1 111 SER H 1 111 SER QB 3.000 . 3.600 3.114 2.949 3.253 . 0 0 "[ . 1 . 2]" 1
606 1 105 ILE HA 1 111 SER H 4.000 . 4.600 4.698 4.631 4.715 0.115 6 0 "[ . 1 . 2]" 1
607 1 111 SER H 1 112 VAL HA 5.000 . 5.800 4.608 4.557 4.805 . 0 0 "[ . 1 . 2]" 1
608 1 111 SER H 1 112 VAL QG 5.500 . 6.300 4.289 4.034 4.678 . 0 0 "[ . 1 . 2]" 1
609 1 106 LEU QD 1 111 SER H 4.500 . 5.100 2.922 2.759 3.139 . 0 0 "[ . 1 . 2]" 1
610 1 105 ILE QG 1 111 SER H 5.000 . 5.800 5.164 5.048 5.200 . 0 0 "[ . 1 . 2]" 1
611 1 111 SER HA 1 112 VAL H 2.500 . 2.900 2.181 2.152 2.294 . 0 0 "[ . 1 . 2]" 1
612 1 111 SER QB 1 112 VAL H 3.000 . 3.600 3.224 2.849 3.279 . 0 0 "[ . 1 . 2]" 1
613 1 112 VAL H 1 112 VAL HA 3.000 . 3.600 2.968 2.957 2.981 . 0 0 "[ . 1 . 2]" 1
614 1 112 VAL H 1 112 VAL HB 3.000 . 3.600 2.357 2.292 2.439 . 0 0 "[ . 1 . 2]" 1
615 1 105 ILE HA 1 112 VAL H 3.000 . 3.600 2.311 2.254 2.410 . 0 0 "[ . 1 . 2]" 1
616 1 112 VAL H 1 113 ILE H 4.000 . 4.600 3.899 3.692 4.057 . 0 0 "[ . 1 . 2]" 1
617 1 105 ILE MG 1 112 VAL H 4.500 . 5.100 4.318 4.287 4.351 . 0 0 "[ . 1 . 2]" 1
618 1 104 ILE MG 1 112 VAL H 4.500 . 5.100 2.874 2.694 3.020 . 0 0 "[ . 1 . 2]" 1
619 1 104 ILE HB 1 112 VAL H 3.000 . 3.600 3.578 3.362 3.662 0.062 17 0 "[ . 1 . 2]" 1
620 1 112 VAL HA 1 113 ILE H 2.500 . 2.900 2.420 2.342 2.531 . 0 0 "[ . 1 . 2]" 1
621 1 113 ILE H 1 113 ILE HB 3.000 . 3.600 2.650 2.412 2.832 . 0 0 "[ . 1 . 2]" 1
622 1 113 ILE H 1 113 ILE QG 2.500 . 2.900 2.503 2.377 2.623 . 0 0 "[ . 1 . 2]" 1
623 1 113 ILE H 1 113 ILE MD 4.500 . 5.100 3.307 2.410 4.139 . 0 0 "[ . 1 . 2]" 1
624 1 113 ILE H 1 114 PHE H 4.000 . 4.600 4.464 4.413 4.548 . 0 0 "[ . 1 . 2]" 1
625 1 113 ILE HA 1 114 PHE H 3.000 . 3.600 2.175 2.153 2.219 . 0 0 "[ . 1 . 2]" 1
626 1 103 GLU HA 1 114 PHE H 3.000 . 3.600 3.652 3.569 3.685 0.085 18 0 "[ . 1 . 2]" 1
627 1 114 PHE H 1 114 PHE HA 3.000 . 3.600 2.999 2.991 3.004 . 0 0 "[ . 1 . 2]" 1
628 1 41 VAL QG 1 114 PHE H 4.500 . 5.100 3.282 2.584 3.804 . 0 0 "[ . 1 . 2]" 1
629 1 114 PHE H 1 114 PHE QD 4.000 . 4.600 1.999 1.862 2.108 . 0 0 "[ . 1 . 2]" 1
630 1 114 PHE H 1 114 PHE QE 3.000 . 3.600 3.445 3.433 3.473 . 0 0 "[ . 1 . 2]" 1
631 1 113 ILE MG 1 114 PHE H 5.500 . 6.300 2.581 2.129 2.840 . 0 0 "[ . 1 . 2]" 1
632 1 114 PHE HA 1 115 SER H 3.000 . 3.600 2.602 2.529 2.652 . 0 0 "[ . 1 . 2]" 1
633 1 114 PHE QB 1 115 SER H 3.000 . 3.600 2.178 2.055 2.359 . 0 0 "[ . 1 . 2]" 1
634 1 39 THR H 1 115 SER H 4.000 . 4.600 2.404 2.245 2.636 . 0 0 "[ . 1 . 2]" 1
635 1 40 ARG HA 1 115 SER H 4.000 . 4.600 3.940 3.634 4.268 . 0 0 "[ . 1 . 2]" 1
636 1 38 LEU QD 1 115 SER H 5.500 . 6.300 2.176 2.130 2.256 . 0 0 "[ . 1 . 2]" 1
637 1 39 THR HB 1 115 SER H 3.000 . 3.600 3.722 3.691 3.762 0.162 2 0 "[ . 1 . 2]" 1
638 1 39 THR MG 1 115 SER H 4.500 . 5.100 1.814 1.764 1.848 0.036 11 0 "[ . 1 . 2]" 1
639 1 114 PHE QD 1 115 SER H 4.000 . 4.600 3.509 3.310 3.662 . 0 0 "[ . 1 . 2]" 1
640 1 38 LEU HG 1 115 SER H 4.000 . 4.600 4.706 4.666 4.750 0.150 4 0 "[ . 1 . 2]" 1
641 1 38 LEU HA 1 115 SER H 4.000 . 4.600 4.449 4.334 4.628 0.028 6 0 "[ . 1 . 2]" 1
642 1 38 LEU QB 1 115 SER H 4.000 . 4.600 4.068 3.990 4.129 . 0 0 "[ . 1 . 2]" 1
643 1 115 SER H 1 116 ALA MB 5.500 . 6.300 5.018 4.931 5.148 . 0 0 "[ . 1 . 2]" 1
644 1 115 SER HA 1 116 ALA H 3.000 . 3.600 2.205 2.183 2.234 . 0 0 "[ . 1 . 2]" 1
645 1 115 SER QB 1 116 ALA H 5.000 . 5.800 3.616 3.347 3.870 . 0 0 "[ . 1 . 2]" 1
646 1 101 ALA HA 1 116 ALA H 4.000 . 4.600 3.640 3.238 4.057 . 0 0 "[ . 1 . 2]" 1
647 1 101 ALA MB 1 116 ALA H 5.500 . 6.300 3.799 3.624 4.212 . 0 0 "[ . 1 . 2]" 1
648 1 114 PHE QE 1 116 ALA H 5.000 . 5.800 5.166 4.981 5.229 . 0 0 "[ . 1 . 2]" 1
649 1 102 PHE H 1 116 ALA H 5.000 . 5.800 5.248 5.068 5.465 . 0 0 "[ . 1 . 2]" 1
650 1 116 ALA HA 1 117 LYS H 2.500 . 2.900 2.243 2.205 2.287 . 0 0 "[ . 1 . 2]" 1
651 1 116 ALA MB 1 117 LYS H 3.500 . 4.100 2.822 2.684 2.949 . 0 0 "[ . 1 . 2]" 1
652 1 117 LYS H 1 117 LYS HA 2.500 . 2.900 2.927 2.922 2.932 0.032 6 0 "[ . 1 . 2]" 1
653 1 117 LYS H 1 117 LYS QB 2.500 . 2.900 2.137 2.023 2.487 . 0 0 "[ . 1 . 2]" 1
654 1 117 LYS H 1 117 LYS QG 3.000 . 3.600 3.139 2.131 3.442 . 0 0 "[ . 1 . 2]" 1
655 1 117 LYS H 1 117 LYS QE 5.000 . 5.800 4.409 2.277 5.001 . 0 0 "[ . 1 . 2]" 1
656 1 117 LYS H 1 118 SER H 3.000 . 3.600 3.291 3.175 3.475 . 0 0 "[ . 1 . 2]" 1
657 1 38 LEU QD 1 117 LYS H 5.500 . 6.300 3.171 3.028 3.365 . 0 0 "[ . 1 . 2]" 1
658 1 39 THR MG 1 117 LYS H 5.500 . 6.300 5.299 5.268 5.326 . 0 0 "[ . 1 . 2]" 1
659 1 118 SER H 1 118 SER QB 3.000 . 3.600 2.920 2.852 3.122 . 0 0 "[ . 1 . 2]" 1
660 1 117 LYS HA 1 118 SER H 2.500 . 2.900 2.786 2.548 2.841 . 0 0 "[ . 1 . 2]" 1
661 1 117 LYS QE 1 118 SER H 5.000 . 5.800 4.713 3.595 5.202 . 0 0 "[ . 1 . 2]" 1
662 1 118 SER H 1 119 ALA H 4.000 . 4.600 4.373 4.343 4.383 . 0 0 "[ . 1 . 2]" 1
663 1 116 ALA MB 1 118 SER H 3.500 . 4.100 2.745 2.626 2.952 . 0 0 "[ . 1 . 2]" 1
664 1 38 LEU QD 1 118 SER H 5.500 . 6.300 4.611 4.544 4.721 . 0 0 "[ . 1 . 2]" 1
665 1 119 ALA H 1 120 GLU QB 4.000 . 4.600 4.151 4.106 4.191 . 0 0 "[ . 1 . 2]" 1
666 1 119 ALA H 1 121 GLU QG 5.000 . 5.800 4.777 4.493 5.111 . 0 0 "[ . 1 . 2]" 1
667 1 119 ALA H 1 120 GLU QG 5.000 . 5.800 4.787 3.950 5.179 . 0 0 "[ . 1 . 2]" 1
668 1 119 ALA H 1 121 GLU H 5.000 . 5.800 3.548 3.389 3.773 . 0 0 "[ . 1 . 2]" 1
669 1 119 ALA HA 1 120 GLU H 3.000 . 3.600 3.540 3.473 3.575 . 0 0 "[ . 1 . 2]" 1
670 1 119 ALA MB 1 120 GLU H 3.500 . 4.100 2.515 2.134 2.790 . 0 0 "[ . 1 . 2]" 1
671 1 120 GLU H 1 120 GLU HA 2.500 . 2.900 2.903 2.820 2.933 0.033 18 0 "[ . 1 . 2]" 1
672 1 120 GLU H 1 120 GLU QB 2.500 . 2.900 2.185 2.093 2.376 . 0 0 "[ . 1 . 2]" 1
673 1 120 GLU H 1 120 GLU QG 3.000 . 3.600 2.878 2.397 3.220 . 0 0 "[ . 1 . 2]" 1
674 1 120 GLU H 1 121 GLU H 3.000 . 3.600 2.478 2.325 2.806 . 0 0 "[ . 1 . 2]" 1
675 1 120 GLU HA 1 121 GLU H 3.000 . 3.600 3.517 3.461 3.564 . 0 0 "[ . 1 . 2]" 1
676 1 121 GLU H 1 121 GLU HA 3.000 . 3.600 2.891 2.837 2.928 . 0 0 "[ . 1 . 2]" 1
677 1 121 GLU H 1 121 GLU QB 2.500 . 2.900 2.359 2.075 2.538 . 0 0 "[ . 1 . 2]" 1
678 1 121 GLU H 1 121 GLU QG 3.000 . 3.600 2.427 2.048 3.235 . 0 0 "[ . 1 . 2]" 1
679 1 121 GLU H 1 122 LYS H 3.000 . 3.600 2.545 2.408 2.723 . 0 0 "[ . 1 . 2]" 1
680 1 119 ALA HA 1 122 LYS H 3.000 . 3.600 3.634 3.611 3.669 0.069 20 0 "[ . 1 . 2]" 1
681 1 122 LYS H 1 123 ASN H 3.000 . 3.600 2.719 2.531 2.936 . 0 0 "[ . 1 . 2]" 1
682 1 123 ASN H 1 123 ASN HA 3.000 . 3.600 2.903 2.857 2.937 . 0 0 "[ . 1 . 2]" 1
683 1 123 ASN H 1 123 ASN QB 3.000 . 3.600 2.268 2.102 2.447 . 0 0 "[ . 1 . 2]" 1
684 1 120 GLU HA 1 123 ASN H 3.000 . 3.600 3.600 3.498 3.648 0.048 17 0 "[ . 1 . 2]" 1
685 1 123 ASN H 1 124 ASN H 3.000 . 3.600 2.527 2.399 2.688 . 0 0 "[ . 1 . 2]" 1
686 1 124 ASN H 1 124 ASN QB 3.000 . 3.600 2.141 2.062 2.307 . 0 0 "[ . 1 . 2]" 1
687 1 123 ASN QB 1 124 ASN H 3.000 . 3.600 3.209 3.134 3.246 . 0 0 "[ . 1 . 2]" 1
688 1 121 GLU HA 1 124 ASN H 3.000 . 3.600 3.334 3.176 3.514 . 0 0 "[ . 1 . 2]" 1
689 1 120 GLU HA 1 124 ASN H 4.000 . 4.600 4.286 4.101 4.617 0.017 13 0 "[ . 1 . 2]" 1
690 1 124 ASN H 1 125 TRP H 3.000 . 3.600 2.798 2.662 2.914 . 0 0 "[ . 1 . 2]" 1
691 1 38 LEU QD 1 124 ASN H 5.500 . 6.300 4.667 4.495 4.740 . 0 0 "[ . 1 . 2]" 1
692 1 124 ASN H 1 125 TRP HD1 5.000 . 5.800 3.900 3.728 4.070 . 0 0 "[ . 1 . 2]" 1
693 1 124 ASN HA 1 125 TRP H 3.000 . 3.600 3.607 3.601 3.619 0.019 18 0 "[ . 1 . 2]" 1
694 1 125 TRP H 1 125 TRP HA 2.500 . 2.900 2.853 2.833 2.873 . 0 0 "[ . 1 . 2]" 1
695 1 125 TRP H 1 125 TRP HB3 3.000 . 3.600 3.594 3.579 3.607 0.007 10 0 "[ . 1 . 2]" 1
696 1 125 TRP H 1 125 TRP HB2 3.000 . 3.600 2.392 2.346 2.421 . 0 0 "[ . 1 . 2]" 1
697 1 125 TRP H 1 125 TRP HE1 5.000 . 5.800 4.333 4.279 4.409 . 0 0 "[ . 1 . 2]" 1
698 1 125 TRP H 1 125 TRP HD1 3.000 . 3.600 1.834 1.788 1.897 0.012 4 0 "[ . 1 . 2]" 1
699 1 125 TRP H 1 126 MET H 3.000 . 3.600 2.622 2.557 2.736 . 0 0 "[ . 1 . 2]" 1
700 1 125 TRP H 1 126 MET HA 5.000 . 5.800 5.274 5.220 5.356 . 0 0 "[ . 1 . 2]" 1
701 1 38 LEU HG 1 125 TRP H 4.000 . 4.600 4.758 4.701 4.873 0.273 18 0 "[ . 1 . 2]" 1
702 1 38 LEU QD 1 125 TRP H 4.500 . 5.100 3.350 3.208 3.498 . 0 0 "[ . 1 . 2]" 1
703 1 125 TRP H 1 128 ALA MB 5.500 . 6.300 4.665 4.340 4.847 . 0 0 "[ . 1 . 2]" 1
704 1 34 MET QG 1 125 TRP H 4.000 . 4.600 4.059 3.804 4.157 . 0 0 "[ . 1 . 2]" 1
705 1 116 ALA MB 1 125 TRP H 5.500 . 6.300 4.024 3.848 4.164 . 0 0 "[ . 1 . 2]" 1
706 1 124 ASN QB 1 125 TRP H 3.000 . 3.600 2.336 2.154 2.534 . 0 0 "[ . 1 . 2]" 1
707 1 125 TRP HB2 1 125 TRP HE1 5.000 . 5.800 4.830 4.797 4.857 . 0 0 "[ . 1 . 2]" 1
708 1 38 LEU QD 1 125 TRP HE1 5.500 . 6.300 2.403 2.242 2.560 . 0 0 "[ . 1 . 2]" 1
709 1 38 LEU HG 1 125 TRP HE1 4.000 . 4.600 4.560 4.241 4.667 0.067 4 0 "[ . 1 . 2]" 1
710 1 38 LEU QB 1 125 TRP HE1 5.000 . 5.800 4.130 3.814 4.339 . 0 0 "[ . 1 . 2]" 1
711 1 49 ILE QG 1 125 TRP HE1 5.000 . 5.800 5.211 5.044 5.314 . 0 0 "[ . 1 . 2]" 1
712 1 36 GLY QA 1 125 TRP HE1 4.000 . 4.600 3.725 3.336 4.117 . 0 0 "[ . 1 . 2]" 1
713 1 124 ASN QB 1 125 TRP HE1 4.000 . 4.600 3.761 3.589 3.987 . 0 0 "[ . 1 . 2]" 1
714 1 125 TRP HA 1 126 MET H 3.000 . 3.600 3.524 3.509 3.568 . 0 0 "[ . 1 . 2]" 1
715 1 125 TRP HB3 1 126 MET H 3.000 . 3.600 3.642 3.598 3.688 0.088 6 0 "[ . 1 . 2]" 1
716 1 125 TRP HB2 1 126 MET H 3.000 . 3.600 2.718 2.645 2.785 . 0 0 "[ . 1 . 2]" 1
717 1 123 ASN HA 1 126 MET H 3.000 . 3.600 3.609 3.424 3.738 0.138 18 0 "[ . 1 . 2]" 1
718 1 126 MET H 1 126 MET HA 3.000 . 3.600 2.839 2.818 2.858 . 0 0 "[ . 1 . 2]" 1
719 1 126 MET H 1 126 MET QB 2.500 . 2.900 2.150 2.052 2.631 . 0 0 "[ . 1 . 2]" 1
720 1 126 MET H 1 127 ALA H 3.000 . 3.600 2.766 2.674 2.843 . 0 0 "[ . 1 . 2]" 1
721 1 89 ILE MD 1 126 MET H 5.500 . 6.300 3.863 3.678 4.314 . 0 0 "[ . 1 . 2]" 1
722 1 114 PHE QE 1 126 MET H 4.000 . 4.600 3.376 3.117 3.673 . 0 0 "[ . 1 . 2]" 1
723 1 126 MET HA 1 127 ALA H 5.000 . 5.800 3.566 3.545 3.584 . 0 0 "[ . 1 . 2]" 1
724 1 126 MET QB 1 127 ALA H 3.000 . 3.600 2.855 2.292 3.291 . 0 0 "[ . 1 . 2]" 1
725 1 127 ALA H 1 127 ALA MB 3.000 . 3.400 2.198 2.065 2.275 . 0 0 "[ . 1 . 2]" 1
726 1 127 ALA H 1 128 ALA H 2.500 . 2.900 2.560 2.460 2.663 . 0 0 "[ . 1 . 2]" 1
727 1 124 ASN HA 1 127 ALA H 3.000 . 3.600 3.670 3.620 3.740 0.140 17 0 "[ . 1 . 2]" 1
728 1 127 ALA MB 1 128 ALA H 3.500 . 4.100 2.696 2.542 2.805 . 0 0 "[ . 1 . 2]" 1
729 1 128 ALA H 1 129 LEU H 3.000 . 3.600 2.631 2.544 2.728 . 0 0 "[ . 1 . 2]" 1
730 1 128 ALA H 1 130 ILE H 5.000 . 5.800 4.855 4.684 5.015 . 0 0 "[ . 1 . 2]" 1
731 1 33 ILE MG 1 128 ALA H 5.500 . 6.300 4.636 4.112 5.253 . 0 0 "[ . 1 . 2]" 1
732 1 128 ALA H 1 129 LEU HG 4.000 . 4.600 3.884 3.675 4.143 . 0 0 "[ . 1 . 2]" 1
733 1 124 ASN HA 1 128 ALA H 4.000 . 4.600 4.331 4.116 4.564 . 0 0 "[ . 1 . 2]" 1
734 1 128 ALA HA 1 129 LEU H 3.000 . 3.600 3.455 3.398 3.493 . 0 0 "[ . 1 . 2]" 1
735 1 128 ALA MB 1 129 LEU H 3.500 . 4.100 2.968 2.806 3.074 . 0 0 "[ . 1 . 2]" 1
736 1 129 LEU H 1 129 LEU HA 3.000 . 3.600 2.934 2.913 2.954 . 0 0 "[ . 1 . 2]" 1
737 1 129 LEU H 1 130 ILE H 3.000 . 3.600 2.721 2.616 2.805 . 0 0 "[ . 1 . 2]" 1
738 1 126 MET HA 1 129 LEU H 4.000 . 4.600 3.757 3.680 3.848 . 0 0 "[ . 1 . 2]" 1
739 1 129 LEU H 1 129 LEU HG 3.000 . 3.600 2.077 1.896 2.345 . 0 0 "[ . 1 . 2]" 1
740 1 127 ALA MB 1 129 LEU H 4.500 . 5.100 4.252 4.128 4.321 . 0 0 "[ . 1 . 2]" 1
741 1 129 LEU HA 1 130 ILE H 3.000 . 3.600 3.595 3.590 3.604 0.004 16 0 "[ . 1 . 2]" 1
742 1 130 ILE H 1 130 ILE HA 3.000 . 3.600 2.845 2.825 2.859 . 0 0 "[ . 1 . 2]" 1
743 1 130 ILE H 1 130 ILE HB 2.500 . 2.900 2.097 2.087 2.108 . 0 0 "[ . 1 . 2]" 1
744 1 130 ILE H 1 130 ILE QG 3.000 . 3.600 3.309 3.300 3.323 . 0 0 "[ . 1 . 2]" 1
745 1 130 ILE H 1 130 ILE MG 3.500 . 4.100 3.561 3.551 3.572 . 0 0 "[ . 1 . 2]" 1
746 1 130 ILE H 1 130 ILE MD 4.500 . 5.100 2.247 2.103 2.358 . 0 0 "[ . 1 . 2]" 1
747 1 130 ILE H 1 131 SER H 3.000 . 3.600 2.632 2.614 2.671 . 0 0 "[ . 1 . 2]" 1
748 1 127 ALA HA 1 130 ILE H 3.000 . 3.600 3.565 3.427 3.649 0.049 18 0 "[ . 1 . 2]" 1
749 1 127 ALA MB 1 130 ILE H 5.500 . 6.300 4.899 4.771 4.969 . 0 0 "[ . 1 . 2]" 1
750 1 126 MET HA 1 130 ILE H 5.000 . 5.800 4.628 4.515 4.787 . 0 0 "[ . 1 . 2]" 1
751 1 130 ILE HA 1 131 SER H 4.000 . 4.600 3.396 3.368 3.424 . 0 0 "[ . 1 . 2]" 1
752 1 130 ILE MG 1 131 SER H 4.500 . 5.100 3.450 3.306 3.553 . 0 0 "[ . 1 . 2]" 1
753 1 130 ILE MD 1 131 SER H 5.500 . 6.300 4.086 4.050 4.127 . 0 0 "[ . 1 . 2]" 1
754 1 130 ILE HB 1 131 SER H 3.000 . 3.600 3.382 3.305 3.450 . 0 0 "[ . 1 . 2]" 1
755 1 131 SER H 1 131 SER HA 2.500 . 2.900 2.901 2.863 2.926 0.026 20 0 "[ . 1 . 2]" 1
756 1 131 SER H 1 131 SER QB 2.500 . 2.900 2.276 2.103 2.612 . 0 0 "[ . 1 . 2]" 1
757 1 128 ALA HA 1 131 SER H 3.000 . 3.600 3.657 3.595 3.725 0.125 11 0 "[ . 1 . 2]" 1
758 1 131 SER H 1 132 LEU H 3.000 . 3.600 2.548 2.370 2.797 . 0 0 "[ . 1 . 2]" 1
759 1 131 SER HA 1 132 LEU H 3.000 . 3.600 3.564 3.516 3.601 0.001 17 0 "[ . 1 . 2]" 1
760 1 132 LEU H 1 132 LEU HA 2.500 . 2.900 2.928 2.878 2.954 0.054 8 0 "[ . 1 . 2]" 1
761 1 132 LEU H 1 132 LEU QB 3.000 . 3.600 2.290 2.075 2.593 . 0 0 "[ . 1 . 2]" 1
762 1 132 LEU H 1 132 LEU HG 3.000 . 3.600 3.500 2.223 3.780 0.180 10 0 "[ . 1 . 2]" 1
763 1 132 LEU H 1 132 LEU QD 4.500 . 5.100 2.261 1.734 3.673 0.066 17 0 "[ . 1 . 2]" 1
764 1 129 LEU HA 1 132 LEU H 3.000 . 3.600 3.671 3.495 3.725 0.125 3 0 "[ . 1 . 2]" 1
765 1 132 LEU H 1 133 GLN H 3.000 . 3.600 2.395 2.217 2.570 . 0 0 "[ . 1 . 2]" 1
766 1 132 LEU QB 1 133 GLN H 3.000 . 3.600 2.915 2.500 3.204 . 0 0 "[ . 1 . 2]" 1
767 1 132 LEU QD 1 133 GLN H 5.500 . 6.300 3.771 3.305 4.138 . 0 0 "[ . 1 . 2]" 1
768 1 133 GLN H 1 133 GLN HA 2.500 . 2.900 2.839 2.772 2.883 . 0 0 "[ . 1 . 2]" 1
769 1 133 GLN H 1 133 GLN QB 2.500 . 2.900 2.227 2.076 2.290 . 0 0 "[ . 1 . 2]" 1
770 1 133 GLN H 1 134 TYR H 3.000 . 3.600 2.768 2.616 2.997 . 0 0 "[ . 1 . 2]" 1
771 1 130 ILE HA 1 133 GLN H 4.000 . 4.600 3.143 2.793 3.401 . 0 0 "[ . 1 . 2]" 1
772 1 133 GLN H 1 134 TYR QB 5.000 . 5.800 4.638 4.346 5.029 . 0 0 "[ . 1 . 2]" 1
773 1 130 ILE MD 1 133 GLN H 5.500 . 6.300 4.198 3.949 4.411 . 0 0 "[ . 1 . 2]" 1
774 1 129 LEU HA 1 133 GLN H 4.000 . 4.600 4.529 4.330 4.639 0.039 15 0 "[ . 1 . 2]" 1
775 1 133 GLN QB 1 134 TYR H 2.500 . 2.900 2.549 2.403 2.613 . 0 0 "[ . 1 . 2]" 1
776 1 134 TYR H 1 134 TYR HA 2.500 . 2.900 2.821 2.751 2.918 0.018 20 0 "[ . 1 . 2]" 1
777 1 134 TYR H 1 134 TYR QB 2.500 . 2.900 2.283 2.164 2.429 . 0 0 "[ . 1 . 2]" 1
778 1 131 SER HA 1 134 TYR H 4.000 . 4.600 4.081 3.710 4.624 0.024 5 0 "[ . 1 . 2]" 1
779 1 134 TYR H 1 134 TYR QD 2.500 . 2.900 2.340 1.839 2.598 . 0 0 "[ . 1 . 2]" 1
780 1 130 ILE MD 1 134 TYR H 5.500 . 6.300 5.143 4.781 5.291 . 0 0 "[ . 1 . 2]" 1
781 1 130 ILE HA 1 134 TYR H 5.000 . 5.800 4.172 3.755 4.520 . 0 0 "[ . 1 . 2]" 1
782 1 135 ARG H 1 135 ARG QD 3.000 . 3.600 2.647 1.854 3.434 . 0 0 "[ . 1 . 2]" 1
783 1 135 ARG H 1 135 ARG QG 2.500 . 2.900 1.877 1.552 2.405 0.248 15 0 "[ . 1 . 2]" 1
784 1 135 ARG H 1 135 ARG HA 2.500 . 2.900 2.918 2.831 2.981 0.081 9 0 "[ . 1 . 2]" 1
785 1 134 TYR QB 1 135 ARG H 3.000 . 3.600 2.937 2.081 3.422 . 0 0 "[ . 1 . 2]" 1
786 1 132 LEU HA 1 135 ARG H 3.000 . 3.600 3.579 3.432 3.724 0.124 5 0 "[ . 1 . 2]" 1
787 1 135 ARG H 1 136 SER H 2.500 . 2.900 2.874 2.311 3.030 0.130 6 0 "[ . 1 . 2]" 1
788 1 135 ARG H 1 136 SER QB 5.000 . 5.800 4.607 3.928 5.127 . 0 0 "[ . 1 . 2]" 1
789 1 135 ARG QB 1 136 SER H 2.500 . 2.900 2.428 2.013 2.713 . 0 0 "[ . 1 . 2]" 1
790 1 135 ARG QG 1 136 SER H 2.500 . 2.900 1.909 1.771 2.694 0.029 7 0 "[ . 1 . 2]" 1
791 1 135 ARG QD 1 136 SER H 4.000 . 4.600 3.561 1.775 3.884 0.025 5 0 "[ . 1 . 2]" 1
792 1 136 SER H 1 136 SER HA 2.500 . 2.900 2.890 2.767 2.955 0.055 8 0 "[ . 1 . 2]" 1
793 1 136 SER H 1 136 SER QB 2.500 . 2.900 2.212 2.072 2.504 . 0 0 "[ . 1 . 2]" 1
794 1 3 LYS HA 1 3 LYS QB 2.500 . 2.800 2.440 2.194 2.542 . 0 0 "[ . 1 . 2]" 1
795 1 4 GLN QB 1 5 LEU QD 5.500 . 6.300 4.058 3.863 4.199 . 0 0 "[ . 1 . 2]" 1
796 1 4 GLN HA 1 7 ILE MD 3.500 . 3.900 2.707 1.759 3.317 0.041 7 0 "[ . 1 . 2]" 1
797 1 5 LEU HA 1 5 LEU HG 3.000 . 3.400 3.288 3.154 3.439 0.039 6 0 "[ . 1 . 2]" 1
798 1 3 LYS HA 1 5 LEU HG 2.500 . 2.800 2.813 2.727 2.838 0.038 8 0 "[ . 1 . 2]" 1
799 1 6 ALA MB 1 7 ILE QG 4.500 . 5.100 3.276 2.829 3.551 . 0 0 "[ . 1 . 2]" 1
800 1 7 ILE HA 1 7 ILE HB 3.000 . 3.400 3.015 2.988 3.036 . 0 0 "[ . 1 . 2]" 1
801 1 7 ILE HA 1 7 ILE MD 4.500 . 5.100 2.651 1.859 3.785 . 0 0 "[ . 1 . 2]" 1
802 1 4 GLN HA 1 7 ILE HB 3.000 . 3.400 3.451 3.367 3.501 0.101 2 0 "[ . 1 . 2]" 1
803 1 4 GLN HA 1 7 ILE QG 4.000 . 4.600 2.584 1.775 3.908 0.025 15 0 "[ . 1 . 2]" 1
804 1 5 LEU QD 1 8 LYS QB 4.500 . 5.100 3.387 3.361 3.408 . 0 0 "[ . 1 . 2]" 1
805 1 8 LYS QE 1 8 LYS QG 2.500 . 2.800 2.021 1.885 2.213 . 0 0 "[ . 1 . 2]" 1
806 1 5 LEU HA 1 8 LYS QB 2.500 . 2.800 2.463 2.339 2.531 . 0 0 "[ . 1 . 2]" 1
807 1 10 MET HA 1 13 ILE HB 3.000 . 3.400 2.180 1.924 3.416 0.016 14 0 "[ . 1 . 2]" 1
808 1 10 MET HA 1 13 ILE MG 4.500 . 5.100 3.357 3.099 4.091 . 0 0 "[ . 1 . 2]" 1
809 1 8 LYS HA 1 11 ASN QB 4.000 . 4.600 3.220 2.488 3.836 . 0 0 "[ . 1 . 2]" 1
810 1 12 GLU HA 1 12 GLU QB 2.500 . 2.800 2.442 2.316 2.540 . 0 0 "[ . 1 . 2]" 1
811 1 9 LYS HA 1 12 GLU QB 3.000 . 3.400 3.001 2.784 3.060 . 0 0 "[ . 1 . 2]" 1
812 1 12 GLU HA 1 15 LYS QB 4.000 . 4.600 2.841 2.321 3.474 . 0 0 "[ . 1 . 2]" 1
813 1 13 ILE HA 1 13 ILE HB 3.000 . 3.400 3.019 2.897 3.036 . 0 0 "[ . 1 . 2]" 1
814 1 13 ILE MG 1 17 ILE MD 4.500 . 5.100 2.996 1.793 3.556 0.007 13 0 "[ . 1 . 2]" 1
815 1 13 ILE HA 1 16 ASN QB 4.000 . 4.600 3.112 2.783 3.668 . 0 0 "[ . 1 . 2]" 1
816 1 10 MET HA 1 13 ILE MD 5.500 . 6.300 1.834 1.760 2.128 0.040 9 0 "[ . 1 . 2]" 1
817 1 15 LYS HA 1 15 LYS QB 2.500 . 2.800 2.419 2.304 2.514 . 0 0 "[ . 1 . 2]" 1
818 1 15 LYS QE 1 15 LYS QG 2.500 . 2.800 2.076 1.923 2.205 . 0 0 "[ . 1 . 2]" 1
819 1 15 LYS HA 1 15 LYS QD 2.500 . 2.800 2.180 1.864 2.501 . 0 0 "[ . 1 . 2]" 1
820 1 15 LYS HA 1 18 ASP H 3.000 . 3.400 3.309 2.977 3.493 0.093 14 0 "[ . 1 . 2]" 1
821 1 15 LYS QB 1 16 ASN QB 4.000 . 4.600 3.719 3.661 3.779 . 0 0 "[ . 1 . 2]" 1
822 1 18 ASP HA 1 18 ASP QB 2.500 . 2.800 2.477 2.354 2.531 . 0 0 "[ . 1 . 2]" 1
823 1 20 TRP HA 1 20 TRP HD1 5.000 . 5.800 2.827 1.741 4.138 0.059 19 0 "[ . 1 . 2]" 1
824 1 20 TRP HA 1 35 GLU HA 5.000 . 5.800 5.643 4.405 6.000 0.200 20 0 "[ . 1 . 2]" 1
825 1 20 TRP HE1 1 24 ASP HA 3.000 . 3.400 2.845 1.860 3.450 0.050 14 0 "[ . 1 . 2]" 1
826 1 27 GLN QG 1 28 CYS QB 4.000 . 4.600 3.276 2.609 3.653 . 0 0 "[ . 1 . 2]" 1
827 1 28 CYS HA 1 28 CYS QB 2.500 . 2.800 2.391 2.185 2.518 . 0 0 "[ . 1 . 2]" 1
828 1 31 GLU HA 1 31 GLU QB 2.500 . 2.800 2.186 2.155 2.200 . 0 0 "[ . 1 . 2]" 1
829 1 31 GLU QG 1 33 ILE MD 4.500 . 5.100 3.820 3.668 3.940 . 0 0 "[ . 1 . 2]" 1
830 1 31 GLU QB 1 32 PHE H 4.000 . 4.600 2.612 1.846 4.008 . 0 0 "[ . 1 . 2]" 1
831 1 33 ILE MD 1 132 LEU QD 4.500 . 5.100 1.989 1.644 2.860 0.156 7 0 "[ . 1 . 2]" 1
832 1 33 ILE HA 1 33 ILE MD 4.500 . 5.100 2.718 1.821 3.977 . 0 0 "[ . 1 . 2]" 1
833 1 33 ILE QG 1 33 ILE MG 3.000 . 3.300 2.279 2.031 2.462 . 0 0 "[ . 1 . 2]" 1
834 1 33 ILE MG 1 132 LEU HG 4.500 . 5.100 4.134 3.309 4.281 . 0 0 "[ . 1 . 2]" 1
835 1 34 MET QG 1 125 TRP HD1 4.000 . 4.600 4.153 4.118 4.223 . 0 0 "[ . 1 . 2]" 1
836 1 34 MET QG 1 128 ALA MB 4.500 . 5.100 1.851 1.652 2.265 0.148 11 0 "[ . 1 . 2]" 1
837 1 35 GLU HA 1 35 GLU QB 2.500 . 2.800 2.365 2.175 2.515 . 0 0 "[ . 1 . 2]" 1
838 1 35 GLU HA 1 36 GLY H 3.000 . 3.400 2.297 2.220 2.345 . 0 0 "[ . 1 . 2]" 1
839 1 35 GLU QB 1 36 GLY H 4.000 . 4.600 3.700 3.519 3.748 . 0 0 "[ . 1 . 2]" 1
840 1 35 GLU QG 1 50 PHE HA 4.000 . 4.600 3.623 2.515 4.209 . 0 0 "[ . 1 . 2]" 1
841 1 37 THR HB 1 117 LYS QB 4.000 . 4.600 4.154 4.130 4.196 . 0 0 "[ . 1 . 2]" 1
842 1 37 THR HB 1 38 LEU H 3.000 . 3.400 3.188 3.003 3.372 . 0 0 "[ . 1 . 2]" 1
843 1 38 LEU QD 1 116 ALA MB 5.500 . 6.300 1.806 1.587 2.118 0.213 16 0 "[ . 1 . 2]" 1
844 1 38 LEU QD 1 114 PHE QD 4.500 . 5.100 1.789 1.752 1.850 0.048 12 0 "[ . 1 . 2]" 1
845 1 38 LEU QD 1 114 PHE QE 4.500 . 5.100 3.218 3.145 3.272 . 0 0 "[ . 1 . 2]" 1
846 1 38 LEU QD 1 114 PHE QB 4.500 . 5.100 1.925 1.836 2.142 . 0 0 "[ . 1 . 2]" 1
847 1 38 LEU HG 1 114 PHE QD 4.000 . 4.600 1.958 1.848 2.057 . 0 0 "[ . 1 . 2]" 1
848 1 38 LEU HG 1 114 PHE QE 3.000 . 3.400 3.089 3.059 3.109 . 0 0 "[ . 1 . 2]" 1
849 1 39 THR HA 1 39 THR HB 3.000 . 3.400 2.683 2.642 2.728 . 0 0 "[ . 1 . 2]" 1
850 1 41 VAL H 1 41 VAL HA 3.000 . 3.400 2.475 2.312 2.764 . 0 0 "[ . 1 . 2]" 1
851 1 41 VAL QG 1 113 ILE HB 4.500 . 5.100 1.910 1.693 3.652 0.107 5 0 "[ . 1 . 2]" 1
852 1 41 VAL QG 1 113 ILE MG 4.500 . 5.100 1.675 1.551 1.919 0.249 4 0 "[ . 1 . 2]" 1
853 1 39 THR MG 1 41 VAL HB 4.500 . 5.100 4.238 3.911 4.330 . 0 0 "[ . 1 . 2]" 1
854 1 41 VAL HA 1 43 ALA MB 5.500 . 6.300 4.733 4.250 5.289 . 0 0 "[ . 1 . 2]" 1
855 1 46 GLU HA 1 46 GLU QB 2.500 . 2.800 2.251 2.185 2.534 . 0 0 "[ . 1 . 2]" 1
856 1 47 ARG HA 1 48 HIS H 3.000 . 3.400 2.401 2.297 2.448 . 0 0 "[ . 1 . 2]" 1
857 1 38 LEU QD 1 49 ILE MD 5.500 . 6.300 3.883 3.267 3.954 . 0 0 "[ . 1 . 2]" 1
858 1 49 ILE HA 1 50 PHE H 3.000 . 3.400 2.314 2.250 2.388 . 0 0 "[ . 1 . 2]" 1
859 1 49 ILE HA 1 49 ILE MD 4.500 . 5.100 2.508 2.358 3.264 . 0 0 "[ . 1 . 2]" 1
860 1 49 ILE MG 1 125 TRP HZ2 4.500 . 5.100 3.632 3.518 3.705 . 0 0 "[ . 1 . 2]" 1
861 1 49 ILE MG 1 125 TRP HH2 4.500 . 5.100 1.920 1.803 2.069 . 0 0 "[ . 1 . 2]" 1
862 1 38 LEU QD 1 49 ILE MG 5.500 . 6.300 3.925 3.897 3.972 . 0 0 "[ . 1 . 2]" 1
863 1 38 LEU QD 1 49 ILE QG 4.500 . 5.100 3.326 3.271 3.404 . 0 0 "[ . 1 . 2]" 1
864 1 51 LEU HA 1 57 ILE H 3.000 . 3.400 2.844 1.919 3.466 0.066 1 0 "[ . 1 . 2]" 1
865 1 53 ASP HA 1 132 LEU QD 3.500 . 3.900 2.261 1.693 2.801 0.107 15 0 "[ . 1 . 2]" 1
866 1 53 ASP HA 1 53 ASP QB 2.500 . 2.800 2.307 2.146 2.532 . 0 0 "[ . 1 . 2]" 1
867 1 33 ILE MD 1 53 ASP HA 3.000 . 3.400 2.550 1.827 2.866 . 0 0 "[ . 1 . 2]" 1
868 1 53 ASP QB 1 132 LEU HG 3.000 . 3.400 2.919 2.075 3.079 . 0 0 "[ . 1 . 2]" 1
869 1 13 ILE MG 1 55 LEU QD 5.500 . 6.300 3.752 2.865 3.913 . 0 0 "[ . 1 . 2]" 1
870 1 52 PHE H 1 55 LEU QD 5.500 . 6.300 3.686 2.642 4.355 . 0 0 "[ . 1 . 2]" 1
871 1 55 LEU H 1 55 LEU HG 4.000 . 4.600 4.491 4.109 4.704 0.104 9 0 "[ . 1 . 2]" 1
872 1 55 LEU HG 1 56 MET H 5.000 . 5.800 3.371 1.831 4.405 . 0 0 "[ . 1 . 2]" 1
873 1 56 MET HA 1 57 ILE QG 4.000 . 4.600 3.449 3.022 3.854 . 0 0 "[ . 1 . 2]" 1
874 1 56 MET HA 1 84 MET QB 4.000 . 4.600 3.621 2.765 4.064 . 0 0 "[ . 1 . 2]" 1
875 1 55 LEU QD 1 56 MET HA 5.500 . 6.300 3.659 3.037 4.498 . 0 0 "[ . 1 . 2]" 1
876 1 13 ILE MD 1 57 ILE MG 5.500 . 6.300 4.313 3.625 4.407 . 0 0 "[ . 1 . 2]" 1
877 1 13 ILE MG 1 57 ILE MG 5.500 . 6.300 4.277 3.935 4.409 . 0 0 "[ . 1 . 2]" 1
878 1 55 LEU QD 1 57 ILE MG 4.500 . 5.100 2.874 1.819 3.184 . 0 0 "[ . 1 . 2]" 1
879 1 13 ILE MG 1 57 ILE MD 5.500 . 6.300 2.892 2.283 4.324 . 0 0 "[ . 1 . 2]" 1
880 1 57 ILE MG 1 81 LYS HA 5.500 . 6.300 3.134 2.520 3.695 . 0 0 "[ . 1 . 2]" 1
881 1 57 ILE HA 1 81 LYS QB 3.000 . 3.400 2.938 2.218 3.054 . 0 0 "[ . 1 . 2]" 1
882 1 57 ILE HA 1 57 ILE MD 4.500 . 5.100 3.790 2.840 4.121 . 0 0 "[ . 1 . 2]" 1
883 1 55 LEU QD 1 57 ILE HA 4.500 . 5.100 3.549 3.145 3.818 . 0 0 "[ . 1 . 2]" 1
884 1 55 LEU QD 1 57 ILE QG 5.500 . 6.300 2.149 1.587 3.581 0.213 7 0 "[ . 1 . 2]" 1
885 1 55 LEU QD 1 57 ILE MD 4.500 . 5.100 2.181 1.564 3.155 0.236 1 0 "[ . 1 . 2]" 1
886 1 50 PHE QB 1 57 ILE MD 4.500 . 5.100 2.257 1.767 3.281 0.033 10 0 "[ . 1 . 2]" 1
887 1 50 PHE QB 1 57 ILE HB 3.000 . 3.400 2.379 1.810 3.105 . 0 0 "[ . 1 . 2]" 1
888 1 58 CYS QB 1 80 GLU H 3.000 . 3.400 2.866 2.197 3.083 . 0 0 "[ . 1 . 2]" 1
889 1 49 ILE MD 1 58 CYS HA 4.500 . 5.100 2.838 2.335 4.191 . 0 0 "[ . 1 . 2]" 1
890 1 49 ILE MG 1 58 CYS HA 5.500 . 6.300 3.009 2.118 3.500 . 0 0 "[ . 1 . 2]" 1
891 1 49 ILE QG 1 58 CYS HA 4.000 . 4.600 4.179 4.129 4.297 . 0 0 "[ . 1 . 2]" 1
892 1 58 CYS QB 1 80 GLU HB3 5.000 . 5.800 4.643 4.327 4.914 . 0 0 "[ . 1 . 2]" 1
893 1 59 CYS HA 1 79 LYS HA 4.000 . 4.600 2.802 2.048 4.250 . 0 0 "[ . 1 . 2]" 1
894 1 63 HIS HA 1 63 HIS QB 2.500 . 2.800 2.435 2.199 2.542 . 0 0 "[ . 1 . 2]" 1
895 1 65 GLN HA 1 66 PRO QD 2.500 . 2.800 1.880 1.840 1.933 . 0 0 "[ . 1 . 2]" 1
896 1 65 GLN HA 1 65 GLN QG 3.000 . 3.400 2.593 2.191 3.254 . 0 0 "[ . 1 . 2]" 1
897 1 67 ARG HA 1 67 ARG QB 2.500 . 2.800 2.358 2.318 2.440 . 0 0 "[ . 1 . 2]" 1
898 1 67 ARG HA 1 67 ARG QG 2.500 . 2.800 2.397 2.203 2.506 . 0 0 "[ . 1 . 2]" 1
899 1 68 LEU HA 1 68 LEU QB 2.500 . 2.800 2.244 2.181 2.510 . 0 0 "[ . 1 . 2]" 1
900 1 69 PRO HA 1 71 ALA H 4.000 . 4.600 3.647 3.277 4.613 0.013 14 0 "[ . 1 . 2]" 1
901 1 75 GLU H 1 75 GLU QB 3.000 . 3.400 2.501 2.118 3.001 . 0 0 "[ . 1 . 2]" 1
902 1 75 GLU H 1 75 GLU QG 4.000 . 4.600 3.295 1.875 4.137 . 0 0 "[ . 1 . 2]" 1
903 1 75 GLU H 1 75 GLU HA 3.000 . 3.400 2.926 2.346 2.994 . 0 0 "[ . 1 . 2]" 1
904 1 55 LEU QD 1 81 LYS QB 4.500 . 5.100 2.507 1.871 3.368 . 0 0 "[ . 1 . 2]" 1
905 1 81 LYS QB 1 81 LYS QD 2.500 . 2.800 2.042 1.923 2.178 . 0 0 "[ . 1 . 2]" 1
906 1 55 LEU QD 1 81 LYS QD 4.500 . 5.100 2.834 1.990 3.355 . 0 0 "[ . 1 . 2]" 1
907 1 82 PHE HB3 1 112 VAL QG 5.500 . 6.300 3.940 3.018 4.658 . 0 0 "[ . 1 . 2]" 1
908 1 83 PHE HB2 1 83 PHE QD 3.000 . 3.400 2.441 2.300 2.751 . 0 0 "[ . 1 . 2]" 1
909 1 84 MET HA 1 84 MET QG 3.000 . 3.400 2.204 1.923 2.466 . 0 0 "[ . 1 . 2]" 1
910 1 85 ARG HA 1 85 ARG QB 2.500 . 2.800 2.225 2.191 2.298 . 0 0 "[ . 1 . 2]" 1
911 1 85 ARG QB 1 85 ARG QD 3.000 . 3.400 2.196 2.003 2.553 . 0 0 "[ . 1 . 2]" 1
912 1 83 PHE QD 1 85 ARG QD 4.000 . 4.600 2.924 1.861 3.611 . 0 0 "[ . 1 . 2]" 1
913 1 85 ARG HA 1 86 LYS H 3.000 . 3.400 3.451 3.307 3.540 0.140 16 0 "[ . 1 . 2]" 1
914 1 85 ARG H 1 85 ARG QB 3.000 . 3.400 2.949 2.838 3.093 . 0 0 "[ . 1 . 2]" 1
915 1 86 LYS QE 1 86 LYS QG 2.500 . 2.800 2.026 1.931 2.210 . 0 0 "[ . 1 . 2]" 1
916 1 87 VAL QG 1 104 ILE MG 3.500 . 3.900 2.034 1.632 2.413 0.168 19 0 "[ . 1 . 2]" 1
917 1 84 MET QG 1 87 VAL QG 3.000 . 3.300 1.859 1.644 2.092 0.156 16 0 "[ . 1 . 2]" 1
918 1 86 LYS HA 1 87 VAL QG 4.500 . 5.100 3.866 3.832 3.909 . 0 0 "[ . 1 . 2]" 1
919 1 88 GLN HA 1 88 GLN QG 2.500 . 2.800 2.257 2.105 2.436 . 0 0 "[ . 1 . 2]" 1
920 1 88 GLN HA 1 130 ILE MD 3.000 . 3.300 2.782 2.758 2.800 . 0 0 "[ . 1 . 2]" 1
921 1 89 ILE HB 1 89 ILE QG 2.500 . 2.800 2.342 2.177 2.456 . 0 0 "[ . 1 . 2]" 1
922 1 89 ILE HB 1 89 ILE MD 3.500 . 3.900 2.462 2.159 3.137 . 0 0 "[ . 1 . 2]" 1
923 1 89 ILE MD 1 114 PHE QE 5.500 . 6.300 3.939 3.443 4.617 . 0 0 "[ . 1 . 2]" 1
924 1 89 ILE MD 1 102 PHE HA 4.500 . 5.100 4.184 3.985 4.315 . 0 0 "[ . 1 . 2]" 1
925 1 89 ILE H 1 89 ILE MD 4.500 . 5.100 4.221 3.750 4.272 . 0 0 "[ . 1 . 2]" 1
926 1 89 ILE HA 1 89 ILE HB 3.000 . 3.400 2.401 2.358 2.513 . 0 0 "[ . 1 . 2]" 1
927 1 89 ILE HA 1 89 ILE MD 4.500 . 5.100 3.845 3.576 3.896 . 0 0 "[ . 1 . 2]" 1
928 1 89 ILE HB 1 126 MET HA 4.000 . 4.600 3.666 3.404 3.927 . 0 0 "[ . 1 . 2]" 1
929 1 90 ASN HA 1 90 ASN HB3 3.000 . 3.400 2.587 2.483 2.604 . 0 0 "[ . 1 . 2]" 1
930 1 94 ASP HA 1 94 ASP QB 2.500 . 2.800 2.370 2.195 2.533 . 0 0 "[ . 1 . 2]" 1
931 1 95 THR HA 1 95 THR MG 3.500 . 3.900 2.156 1.976 2.426 . 0 0 "[ . 1 . 2]" 1
932 1 95 THR HA 1 95 THR HB 2.500 . 2.800 2.598 2.390 2.734 . 0 0 "[ . 1 . 2]" 1
933 1 96 SER HA 1 96 SER QB 2.500 . 2.800 2.388 2.223 2.507 . 0 0 "[ . 1 . 2]" 1
934 1 98 TYR HA 1 98 TYR QB 2.500 . 2.800 2.483 2.196 2.542 . 0 0 "[ . 1 . 2]" 1
935 1 100 HIS HA 1 100 HIS HD2 4.000 . 4.600 3.196 1.975 4.592 . 0 0 "[ . 1 . 2]" 1
936 1 101 ALA MB 1 113 ILE MG 4.500 . 5.100 3.084 2.915 3.341 . 0 0 "[ . 1 . 2]" 1
937 1 101 ALA HA 1 102 PHE QE 5.000 . 5.800 3.415 2.908 3.889 . 0 0 "[ . 1 . 2]" 1
938 1 90 ASN H 1 102 PHE QB 4.000 . 4.600 3.643 3.361 3.797 . 0 0 "[ . 1 . 2]" 1
939 1 103 GLU HA 1 104 ILE MG 5.500 . 6.300 5.397 5.380 5.412 . 0 0 "[ . 1 . 2]" 1
940 1 89 ILE H 1 104 ILE QG 3.000 . 3.400 3.094 3.063 3.153 . 0 0 "[ . 1 . 2]" 1
941 1 87 VAL HB 1 104 ILE MG 3.500 . 3.900 1.954 1.774 2.285 0.026 6 0 "[ . 1 . 2]" 1
942 1 104 ILE MG 1 112 VAL QG 5.500 . 6.300 2.655 2.394 2.880 . 0 0 "[ . 1 . 2]" 1
943 1 104 ILE QG 1 112 VAL QG 4.500 . 5.100 3.368 3.265 3.398 . 0 0 "[ . 1 . 2]" 1
944 1 104 ILE MD 1 114 PHE QD 4.500 . 5.100 3.472 3.268 3.776 . 0 0 "[ . 1 . 2]" 1
945 1 104 ILE MD 1 114 PHE QE 3.500 . 3.900 1.849 1.717 2.199 0.083 6 0 "[ . 1 . 2]" 1
946 1 105 ILE HA 1 105 ILE MD 4.500 . 5.100 3.554 3.036 3.806 . 0 0 "[ . 1 . 2]" 1
947 1 105 ILE HB 1 105 ILE MD 3.000 . 3.300 2.165 1.896 2.443 . 0 0 "[ . 1 . 2]" 1
948 1 105 ILE HB 1 105 ILE QG 2.500 . 2.800 2.454 2.340 2.539 . 0 0 "[ . 1 . 2]" 1
949 1 105 ILE QG 1 111 SER QB 4.000 . 4.600 2.355 1.927 2.531 . 0 0 "[ . 1 . 2]" 1
950 1 106 LEU QD 1 112 VAL QG 5.500 . 6.300 2.215 1.967 2.522 . 0 0 "[ . 1 . 2]" 1
951 1 82 PHE QE 1 106 LEU QD 4.500 . 5.100 3.323 2.795 3.384 . 0 0 "[ . 1 . 2]" 1
952 1 86 LYS QE 1 106 LEU QD 5.500 . 6.300 2.647 1.807 3.762 . 0 0 "[ . 1 . 2]" 1
953 1 106 LEU QD 1 110 ASN QB 5.500 . 6.300 1.633 1.573 2.413 0.227 7 0 "[ . 1 . 2]" 1
954 1 106 LEU HA 1 106 LEU HG 3.000 . 3.400 2.527 2.480 2.553 . 0 0 "[ . 1 . 2]" 1
955 1 107 LYS HA 1 107 LYS QB 2.500 . 2.800 2.394 2.168 2.519 . 0 0 "[ . 1 . 2]" 1
956 1 105 ILE MG 1 107 LYS HA 3.500 . 3.900 3.429 3.416 3.448 . 0 0 "[ . 1 . 2]" 1
957 1 107 LYS QE 1 107 LYS QG 2.500 . 2.800 2.063 1.908 2.222 . 0 0 "[ . 1 . 2]" 1
958 1 107 LYS HA 1 107 LYS QG 3.000 . 3.400 2.499 2.067 3.251 . 0 0 "[ . 1 . 2]" 1
959 1 107 LYS H 1 107 LYS QB 3.000 . 3.400 2.462 2.188 3.075 . 0 0 "[ . 1 . 2]" 1
960 1 107 LYS HA 1 108 ASP H 3.000 . 3.400 3.097 3.076 3.142 . 0 0 "[ . 1 . 2]" 1
961 1 108 ASP HA 1 108 ASP QB 2.500 . 2.800 2.473 2.317 2.542 . 0 0 "[ . 1 . 2]" 1
962 1 110 ASN HA 1 110 ASN QB 2.500 . 2.800 2.506 2.495 2.532 . 0 0 "[ . 1 . 2]" 1
963 1 106 LEU HB2 1 110 ASN QB 4.000 . 4.600 2.791 2.644 4.187 . 0 0 "[ . 1 . 2]" 1
964 1 106 LEU QD 1 110 ASN HA 4.500 . 5.100 3.709 3.663 3.786 . 0 0 "[ . 1 . 2]" 1
965 1 105 ILE HA 1 111 SER QB 3.000 . 3.400 2.989 2.195 3.064 . 0 0 "[ . 1 . 2]" 1
966 1 112 VAL HA 1 112 VAL HB 3.000 . 3.400 3.024 3.017 3.034 . 0 0 "[ . 1 . 2]" 1
967 1 104 ILE QG 1 112 VAL HB 4.000 . 4.600 4.045 3.708 4.123 . 0 0 "[ . 1 . 2]" 1
968 1 104 ILE MG 1 112 VAL HB 4.500 . 5.100 2.077 1.794 2.356 0.006 4 0 "[ . 1 . 2]" 1
969 1 112 VAL HB 1 113 ILE H 4.000 . 4.600 4.552 4.485 4.580 . 0 0 "[ . 1 . 2]" 1
970 1 112 VAL QG 1 114 PHE QE 4.500 . 5.100 2.788 2.361 3.370 . 0 0 "[ . 1 . 2]" 1
971 1 101 ALA MB 1 114 PHE QB 5.500 . 6.300 4.693 4.650 4.743 . 0 0 "[ . 1 . 2]" 1
972 1 115 SER H 1 115 SER QB 3.000 . 3.400 2.864 2.648 3.075 . 0 0 "[ . 1 . 2]" 1
973 1 39 THR MG 1 115 SER QB 4.500 . 5.100 1.877 1.694 2.277 0.106 6 0 "[ . 1 . 2]" 1
974 1 38 LEU QD 1 116 ALA HA 4.500 . 5.100 1.689 1.648 1.739 0.152 19 0 "[ . 1 . 2]" 1
975 1 116 ALA MB 1 117 LYS HA 5.500 . 6.300 4.322 4.247 4.356 . 0 0 "[ . 1 . 2]" 1
976 1 117 LYS HA 1 117 LYS QB 2.500 . 2.800 2.475 2.191 2.530 . 0 0 "[ . 1 . 2]" 1
977 1 117 LYS QB 1 117 LYS QE 3.000 . 3.400 2.078 1.820 2.934 . 0 0 "[ . 1 . 2]" 1
978 1 117 LYS HA 1 117 LYS QD 2.500 . 2.800 2.009 1.786 2.634 0.014 18 0 "[ . 1 . 2]" 1
979 1 118 SER HA 1 119 ALA H 2.500 . 2.800 2.615 2.460 2.772 . 0 0 "[ . 1 . 2]" 1
980 1 118 SER QB 1 119 ALA H 4.000 . 4.600 2.512 1.892 3.142 . 0 0 "[ . 1 . 2]" 1
981 1 120 GLU HA 1 123 ASN QB 3.000 . 3.400 3.045 2.926 3.081 . 0 0 "[ . 1 . 2]" 1
982 1 121 GLU HA 1 124 ASN QB 3.000 . 3.400 1.980 1.839 2.302 . 0 0 "[ . 1 . 2]" 1
983 1 121 GLU HA 1 121 GLU QG 3.000 . 3.400 2.530 2.126 3.070 . 0 0 "[ . 1 . 2]" 1
984 1 38 LEU QD 1 121 GLU QG 5.500 . 6.300 3.969 2.551 4.180 . 0 0 "[ . 1 . 2]" 1
985 1 116 ALA MB 1 121 GLU QG 4.500 . 5.100 3.372 1.625 3.769 0.175 13 0 "[ . 1 . 2]" 1
986 1 124 ASN HA 1 124 ASN QB 2.500 . 2.800 2.495 2.319 2.540 . 0 0 "[ . 1 . 2]" 1
987 1 124 ASN HA 1 127 ALA MB 4.500 . 5.100 3.161 3.026 3.378 . 0 0 "[ . 1 . 2]" 1
988 1 125 TRP HA 1 128 ALA MB 4.500 . 5.100 2.380 2.147 2.529 . 0 0 "[ . 1 . 2]" 1
989 1 125 TRP HA 1 125 TRP HD1 3.000 . 3.400 3.514 3.452 3.596 0.196 6 0 "[ . 1 . 2]" 1
990 1 125 TRP HA 1 128 ALA H 3.000 . 3.400 3.275 3.047 3.453 0.053 18 0 "[ . 1 . 2]" 1
991 1 89 ILE MD 1 126 MET QG 4.500 . 5.100 1.800 1.607 3.341 0.193 7 0 "[ . 1 . 2]" 1
992 1 126 MET QG 1 127 ALA H 4.000 . 4.600 3.170 1.955 4.262 . 0 0 "[ . 1 . 2]" 1
993 1 89 ILE MD 1 127 ALA HA 4.500 . 5.100 4.326 4.281 4.368 . 0 0 "[ . 1 . 2]" 1
994 1 33 ILE MG 1 128 ALA MB 4.500 . 5.100 1.919 1.623 3.157 0.177 19 0 "[ . 1 . 2]" 1
995 1 33 ILE MD 1 128 ALA HA 3.000 . 3.400 2.910 2.843 3.061 . 0 0 "[ . 1 . 2]" 1
996 1 126 MET HA 1 129 LEU HG 3.000 . 3.400 3.458 3.429 3.532 0.132 12 0 "[ . 1 . 2]" 1
997 1 129 LEU HA 1 129 LEU HG 2.500 . 2.800 2.845 2.784 2.886 0.086 7 0 "[ . 1 . 2]" 1
998 1 130 ILE HA 1 133 GLN QB 2.500 . 2.800 2.140 1.818 2.489 . 0 0 "[ . 1 . 2]" 1
999 1 130 ILE HA 1 130 ILE HB 2.500 . 2.800 2.962 2.954 2.967 0.167 1 0 "[ . 1 . 2]" 1
1000 1 130 ILE HA 1 130 ILE MD 4.500 . 5.100 1.829 1.779 1.868 0.021 7 0 "[ . 1 . 2]" 1
1001 1 130 ILE HB 1 130 ILE MD 3.000 . 3.300 2.751 2.699 2.783 . 0 0 "[ . 1 . 2]" 1
1002 1 130 ILE HA 1 130 ILE MG 3.500 . 3.900 2.667 2.625 2.703 . 0 0 "[ . 1 . 2]" 1
1003 1 131 SER HA 1 131 SER QB 2.500 . 2.800 2.368 2.181 2.501 . 0 0 "[ . 1 . 2]" 1
1004 1 53 ASP QB 1 132 LEU QD 4.500 . 5.100 2.063 1.581 3.373 0.219 8 0 "[ . 1 . 2]" 1
1005 1 33 ILE MG 1 132 LEU QD 4.500 . 5.100 3.030 2.525 3.198 . 0 0 "[ . 1 . 2]" 1
1006 1 133 GLN HA 1 133 GLN QB 2.500 . 2.800 2.416 2.320 2.540 . 0 0 "[ . 1 . 2]" 1
1007 1 35 GLU HA 1 50 PHE HA 2.500 . 2.800 2.622 1.952 2.869 0.069 2 0 "[ . 1 . 2]" 1
1008 1 37 THR HA 1 48 HIS HA 2.500 . 2.800 2.671 2.150 2.886 0.086 14 0 "[ . 1 . 2]" 1
1009 1 40 ARG HA 1 114 PHE HA 2.500 . 2.800 2.237 1.823 2.863 0.063 14 0 "[ . 1 . 2]" 1
1010 1 49 ILE HA 1 58 CYS HA 2.500 . 2.800 2.174 1.989 2.313 . 0 0 "[ . 1 . 2]" 1
1011 1 51 LEU HA 1 56 MET HA 2.500 . 2.800 2.486 2.053 2.797 . 0 0 "[ . 1 . 2]" 1
1012 1 55 LEU HA 1 83 PHE HA 2.500 . 2.800 2.796 2.572 2.857 0.057 11 0 "[ . 1 . 2]" 1
1013 1 57 ILE HA 1 81 LYS HA 2.500 . 2.800 2.205 1.924 2.660 . 0 0 "[ . 1 . 2]" 1
1014 1 89 ILE HA 1 104 ILE HA 2.500 . 2.800 2.105 1.931 2.448 . 0 0 "[ . 1 . 2]" 1
1015 1 91 ASP HA 1 102 PHE HA 2.500 . 2.800 2.816 2.771 2.844 0.044 20 0 "[ . 1 . 2]" 1
1016 1 101 ALA HA 1 115 SER HA 2.500 . 2.800 2.745 2.407 2.878 0.078 9 0 "[ . 1 . 2]" 1
1017 1 103 GLU HA 1 113 ILE HA 2.500 . 2.800 2.181 2.063 2.248 . 0 0 "[ . 1 . 2]" 1
1018 1 105 ILE HA 1 111 SER HA 2.500 . 2.800 1.790 1.777 1.854 0.023 17 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 141
_Distance_constraint_stats_list.Viol_total 107.497
_Distance_constraint_stats_list.Viol_max 0.141
_Distance_constraint_stats_list.Viol_rms 0.0172
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0381
_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 34 MET 1.086 0.133 11 0 "[ . 1 . 2]"
1 36 GLY 0.863 0.094 5 0 "[ . 1 . 2]"
1 38 LEU 1.106 0.141 6 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 1.106 0.141 6 0 "[ . 1 . 2]"
1 48 HIS 0.474 0.111 11 0 "[ . 1 . 2]"
1 49 ILE 0.863 0.094 5 0 "[ . 1 . 2]"
1 50 PHE 0.030 0.030 7 0 "[ . 1 . 2]"
1 51 LEU 1.086 0.133 11 0 "[ . 1 . 2]"
1 52 PHE 0.306 0.102 15 0 "[ . 1 . 2]"
1 54 GLY 0.033 0.032 19 0 "[ . 1 . 2]"
1 55 LEU 0.306 0.102 15 0 "[ . 1 . 2]"
1 56 MET 0.001 0.001 4 0 "[ . 1 . 2]"
1 57 ILE 0.030 0.030 7 0 "[ . 1 . 2]"
1 58 CYS 0.443 0.053 18 0 "[ . 1 . 2]"
1 59 CYS 0.474 0.111 11 0 "[ . 1 . 2]"
1 80 GLU 0.443 0.053 18 0 "[ . 1 . 2]"
1 82 PHE 0.001 0.001 4 0 "[ . 1 . 2]"
1 84 MET 0.033 0.032 19 0 "[ . 1 . 2]"
1 88 GLN 0.465 0.079 3 0 "[ . 1 . 2]"
1 90 ASN 0.131 0.027 9 0 "[ . 1 . 2]"
1 102 PHE 0.437 0.078 15 0 "[ . 1 . 2]"
1 103 GLU 0.131 0.027 9 0 "[ . 1 . 2]"
1 104 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ILE 0.465 0.079 3 0 "[ . 1 . 2]"
1 112 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 PHE 0.437 0.078 15 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 34 MET H 1 51 LEU O 2.300 . 2.500 2.523 2.182 2.633 0.133 11 0 "[ . 1 . 2]" 2
2 1 34 MET N 1 51 LEU O 3.300 2.500 3.500 3.401 3.142 3.563 0.063 18 0 "[ . 1 . 2]" 2
3 1 34 MET O 1 51 LEU H 2.300 . 2.500 2.111 2.051 2.365 . 0 0 "[ . 1 . 2]" 2
4 1 34 MET O 1 51 LEU N 3.300 2.500 3.500 2.932 2.728 3.188 . 0 0 "[ . 1 . 2]" 2
5 1 36 GLY H 1 49 ILE O 2.300 . 2.500 2.495 2.095 2.594 0.094 5 0 "[ . 1 . 2]" 2
6 1 36 GLY N 1 49 ILE O 3.300 2.500 3.500 3.397 2.920 3.507 0.007 5 0 "[ . 1 . 2]" 2
7 1 36 GLY O 1 49 ILE H 2.300 . 2.500 2.360 2.091 2.544 0.044 18 0 "[ . 1 . 2]" 2
8 1 36 GLY O 1 49 ILE N 3.300 2.500 3.500 3.286 3.028 3.517 0.017 12 0 "[ . 1 . 2]" 2
9 1 38 LEU H 1 47 ARG O 2.300 . 2.500 2.509 2.334 2.641 0.141 6 0 "[ . 1 . 2]" 2
10 1 38 LEU N 1 47 ARG O 3.300 2.500 3.500 3.468 3.289 3.609 0.109 20 0 "[ . 1 . 2]" 2
11 1 48 HIS H 1 59 CYS O 2.300 . 2.500 2.505 2.385 2.611 0.111 11 0 "[ . 1 . 2]" 2
12 1 48 HIS N 1 59 CYS O 3.300 2.500 3.500 3.033 2.636 3.207 . 0 0 "[ . 1 . 2]" 2
13 1 50 PHE H 1 57 ILE O 2.300 . 2.500 2.174 2.092 2.320 . 0 0 "[ . 1 . 2]" 2
14 1 50 PHE N 1 57 ILE O 3.300 2.500 3.500 3.110 3.025 3.256 . 0 0 "[ . 1 . 2]" 2
15 1 50 PHE O 1 57 ILE H 2.300 . 2.500 2.200 2.010 2.530 0.030 7 0 "[ . 1 . 2]" 2
16 1 50 PHE O 1 57 ILE N 3.300 2.500 3.500 2.978 2.586 3.298 . 0 0 "[ . 1 . 2]" 2
17 1 52 PHE H 1 55 LEU O 2.300 . 2.500 2.068 2.010 2.164 . 0 0 "[ . 1 . 2]" 2
18 1 52 PHE N 1 55 LEU O 3.300 2.500 3.500 2.895 2.599 3.052 . 0 0 "[ . 1 . 2]" 2
19 1 52 PHE O 1 55 LEU H 2.300 . 2.500 2.269 2.084 2.602 0.102 15 0 "[ . 1 . 2]" 2
20 1 52 PHE O 1 55 LEU N 3.300 2.500 3.500 2.964 2.496 3.493 0.004 8 0 "[ . 1 . 2]" 2
21 1 54 GLY O 1 84 MET H 2.300 . 2.500 2.205 2.090 2.501 0.001 8 0 "[ . 1 . 2]" 2
22 1 54 GLY O 1 84 MET N 3.300 2.500 3.500 2.881 2.468 3.413 0.032 19 0 "[ . 1 . 2]" 2
23 1 56 MET H 1 82 PHE O 2.300 . 2.500 2.231 2.094 2.501 0.001 4 0 "[ . 1 . 2]" 2
24 1 56 MET N 1 82 PHE O 3.300 2.500 3.500 3.096 2.904 3.276 . 0 0 "[ . 1 . 2]" 2
25 1 56 MET O 1 82 PHE H 2.300 . 2.500 2.086 2.042 2.168 . 0 0 "[ . 1 . 2]" 2
26 1 56 MET O 1 82 PHE N 3.300 2.500 3.500 2.957 2.849 3.055 . 0 0 "[ . 1 . 2]" 2
27 1 58 CYS H 1 80 GLU O 2.300 . 2.500 2.182 2.064 2.381 . 0 0 "[ . 1 . 2]" 2
28 1 58 CYS N 1 80 GLU O 3.300 2.500 3.500 2.973 2.846 3.091 . 0 0 "[ . 1 . 2]" 2
29 1 58 CYS O 1 80 GLU H 2.300 . 2.500 2.503 2.262 2.553 0.053 18 0 "[ . 1 . 2]" 2
30 1 58 CYS O 1 80 GLU N 3.300 2.500 3.500 3.269 3.045 3.433 . 0 0 "[ . 1 . 2]" 2
31 1 48 HIS O 1 59 CYS H 2.300 . 2.500 2.085 1.944 2.335 . 0 0 "[ . 1 . 2]" 2
32 1 48 HIS O 1 59 CYS N 3.300 2.500 3.500 2.987 2.616 3.260 . 0 0 "[ . 1 . 2]" 2
33 1 90 ASN H 1 103 GLU O 2.300 . 2.500 2.255 2.098 2.502 0.002 11 0 "[ . 1 . 2]" 2
34 1 90 ASN N 1 103 GLU O 3.300 2.500 3.500 3.034 2.827 3.273 . 0 0 "[ . 1 . 2]" 2
35 1 90 ASN O 1 103 GLU H 2.300 . 2.500 2.417 2.103 2.527 0.027 9 0 "[ . 1 . 2]" 2
36 1 90 ASN O 1 103 GLU N 3.300 2.500 3.500 3.352 2.991 3.489 . 0 0 "[ . 1 . 2]" 2
37 1 102 PHE H 1 114 PHE O 2.300 . 2.500 2.347 2.073 2.499 . 0 0 "[ . 1 . 2]" 2
38 1 102 PHE N 1 114 PHE O 3.300 2.500 3.500 3.305 2.970 3.469 . 0 0 "[ . 1 . 2]" 2
39 1 102 PHE O 1 114 PHE H 2.300 . 2.500 2.507 2.400 2.578 0.078 15 0 "[ . 1 . 2]" 2
40 1 102 PHE O 1 114 PHE N 3.300 2.500 3.500 3.353 3.219 3.433 . 0 0 "[ . 1 . 2]" 2
41 1 104 ILE H 1 112 VAL O 2.300 . 2.500 2.182 2.085 2.452 . 0 0 "[ . 1 . 2]" 2
42 1 104 ILE N 1 112 VAL O 3.300 2.500 3.500 3.015 2.911 3.283 . 0 0 "[ . 1 . 2]" 2
43 1 104 ILE O 1 112 VAL H 2.300 . 2.500 2.071 2.053 2.090 . 0 0 "[ . 1 . 2]" 2
44 1 104 ILE O 1 112 VAL N 3.300 2.500 3.500 2.667 2.624 2.729 . 0 0 "[ . 1 . 2]" 2
45 1 88 GLN O 1 105 ILE H 2.300 . 2.500 2.488 2.310 2.579 0.079 3 0 "[ . 1 . 2]" 2
46 1 88 GLN O 1 105 ILE N 3.300 2.500 3.500 3.280 3.135 3.369 . 0 0 "[ . 1 . 2]" 2
47 1 39 THR O 1 115 SER H 2.300 . 2.500 2.134 2.033 2.468 . 0 0 "[ . 1 . 2]" 2
48 1 39 THR O 1 115 SER N 3.300 2.500 3.500 2.962 2.840 3.317 . 0 0 "[ . 1 . 2]" 2
49 1 39 THR H 1 115 SER O 2.300 . 2.500 2.050 1.998 2.086 . 0 0 "[ . 1 . 2]" 2
50 1 39 THR N 1 115 SER O 3.300 2.500 3.500 2.903 2.836 2.957 . 0 0 "[ . 1 . 2]" 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 14
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 36.808
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0148
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0271
_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
1 119 ALA 0.088 0.021 14 0 "[ . 1 . 2]"
1 121 GLU 0.081 0.051 13 0 "[ . 1 . 2]"
1 122 LYS 0.230 0.025 2 0 "[ . 1 . 2]"
1 123 ASN 0.091 0.021 14 0 "[ . 1 . 2]"
1 124 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 TRP 0.561 0.072 11 0 "[ . 1 . 2]"
1 126 MET 1.188 0.078 16 0 "[ . 1 . 2]"
1 127 ALA 0.004 0.004 15 0 "[ . 1 . 2]"
1 128 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LEU 0.480 0.072 11 0 "[ . 1 . 2]"
1 130 ILE 0.958 0.078 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 119 ALA O 1 123 ASN H 2.300 . 2.500 2.411 2.225 2.521 0.021 14 0 "[ . 1 . 2]" 3
2 1 119 ALA O 1 123 ASN N 3.300 2.500 3.500 3.362 3.201 3.479 . 0 0 "[ . 1 . 2]" 3
3 1 121 GLU O 1 125 TRP H 2.300 . 2.500 2.399 2.258 2.551 0.051 13 0 "[ . 1 . 2]" 3
4 1 121 GLU O 1 125 TRP N 3.300 2.500 3.500 3.353 3.223 3.484 . 0 0 "[ . 1 . 2]" 3
5 1 122 LYS O 1 126 MET H 2.300 . 2.500 2.493 2.372 2.525 0.025 2 0 "[ . 1 . 2]" 3
6 1 122 LYS O 1 126 MET N 3.300 2.500 3.500 3.420 3.310 3.488 . 0 0 "[ . 1 . 2]" 3
7 1 123 ASN O 1 127 ALA H 2.300 . 2.500 2.277 2.092 2.504 0.004 15 0 "[ . 1 . 2]" 3
8 1 123 ASN O 1 127 ALA N 3.300 2.500 3.500 3.135 2.916 3.391 . 0 0 "[ . 1 . 2]" 3
9 1 124 ASN O 1 128 ALA H 2.300 . 2.500 2.135 2.044 2.270 . 0 0 "[ . 1 . 2]" 3
10 1 124 ASN O 1 128 ALA N 3.300 2.500 3.500 3.046 2.893 3.197 . 0 0 "[ . 1 . 2]" 3
11 1 125 TRP O 1 129 LEU H 2.300 . 2.500 2.523 2.483 2.572 0.072 11 0 "[ . 1 . 2]" 3
12 1 125 TRP O 1 129 LEU N 3.300 2.500 3.500 3.237 3.147 3.307 . 0 0 "[ . 1 . 2]" 3
13 1 126 MET O 1 130 ILE H 2.300 . 2.500 2.541 2.480 2.578 0.078 16 0 "[ . 1 . 2]" 3
14 1 126 MET O 1 130 ILE N 3.300 2.500 3.500 3.493 3.446 3.530 0.030 12 0 "[ . 1 . 2]" 3
stop_
save_
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