NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
391869 |
1plo   |
4779 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1plo
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 928
_Distance_constraint_stats_list.Viol_count 953
_Distance_constraint_stats_list.Viol_total 889.649
_Distance_constraint_stats_list.Viol_max 0.869
_Distance_constraint_stats_list.Viol_rms 0.0407
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.0934
_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 2 THR 0.484 0.369 2 0 "[ . 1]"
1 3 ASP 0.484 0.369 2 0 "[ . 1]"
1 4 ASN 1.238 0.370 2 0 "[ . 1]"
1 5 ALA 1.141 0.370 2 0 "[ . 1]"
1 6 GLY 0.000 0.000 . 0 "[ . 1]"
1 7 ALA 0.482 0.092 2 0 "[ . 1]"
1 8 VAL 0.252 0.236 8 0 "[ . 1]"
1 9 LYS 1.333 0.336 6 0 "[ . 1]"
1 10 PHE 1.110 0.336 6 0 "[ . 1]"
1 11 PRO 0.314 0.115 1 0 "[ . 1]"
1 12 GLN 0.270 0.134 2 0 "[ . 1]"
1 13 LEU 3.170 0.240 1 0 "[ . 1]"
1 14 CYS 0.787 0.110 10 0 "[ . 1]"
1 15 LYS 0.563 0.123 6 0 "[ . 1]"
1 16 PHE 2.230 0.215 8 0 "[ . 1]"
1 17 CYS 2.046 0.412 10 0 "[ . 1]"
1 18 ASP 2.448 0.412 10 0 "[ . 1]"
1 19 VAL 2.665 0.226 5 0 "[ . 1]"
1 20 ARG 0.062 0.062 10 0 "[ . 1]"
1 21 PHE 0.755 0.124 5 0 "[ . 1]"
1 22 SER 0.467 0.109 5 0 "[ . 1]"
1 23 THR 0.686 0.132 2 0 "[ . 1]"
1 24 CYS 0.315 0.146 7 0 "[ . 1]"
1 25 ASP 0.833 0.150 4 0 "[ . 1]"
1 26 ASN 0.245 0.138 4 0 "[ . 1]"
1 27 GLN 0.175 0.092 1 0 "[ . 1]"
1 28 LYS 0.391 0.105 9 0 "[ . 1]"
1 29 SER 1.374 0.260 6 0 "[ . 1]"
1 30 CYS 2.849 0.536 9 1 "[ . +1]"
1 31 MET 0.123 0.123 3 0 "[ . 1]"
1 32 SER 1.106 0.320 3 0 "[ . 1]"
1 33 ASN 0.090 0.090 1 0 "[ . 1]"
1 34 CYS 1.656 0.322 4 0 "[ . 1]"
1 35 SER 0.908 0.125 1 0 "[ . 1]"
1 36 ILE 5.445 0.322 4 0 "[ . 1]"
1 37 THR 1.768 0.123 6 0 "[ . 1]"
1 38 SER 0.738 0.090 8 0 "[ . 1]"
1 39 ILE 0.987 0.240 1 0 "[ . 1]"
1 40 CYS 1.893 0.268 5 0 "[ . 1]"
1 41 GLU 0.011 0.007 10 0 "[ . 1]"
1 42 LYS 0.422 0.091 6 0 "[ . 1]"
1 43 PRO 0.251 0.115 1 0 "[ . 1]"
1 44 GLN 0.547 0.065 6 0 "[ . 1]"
1 45 GLU 1.280 0.149 8 0 "[ . 1]"
1 46 VAL 1.677 0.134 2 0 "[ . 1]"
1 47 CYS 0.108 0.075 3 0 "[ . 1]"
1 48 VAL 1.415 0.204 10 0 "[ . 1]"
1 49 ALA 0.333 0.210 10 0 "[ . 1]"
1 50 VAL 0.272 0.070 9 0 "[ . 1]"
1 51 TRP 4.886 0.233 2 0 "[ . 1]"
1 52 ARG 3.095 0.342 4 0 "[ . 1]"
1 53 LYS 2.512 0.173 7 0 "[ . 1]"
1 54 ASN 0.339 0.210 5 0 "[ . 1]"
1 55 ASP 3.366 0.294 2 0 "[ . 1]"
1 56 GLU 3.560 0.294 2 0 "[ . 1]"
1 57 ASN 0.574 0.141 3 0 "[ . 1]"
1 58 ILE 4.188 0.342 4 0 "[ . 1]"
1 59 THR 0.142 0.109 5 0 "[ . 1]"
1 60 LEU 1.846 0.184 10 0 "[ . 1]"
1 61 GLU 1.645 0.226 5 0 "[ . 1]"
1 62 THR 1.871 0.215 10 0 "[ . 1]"
1 63 VAL 2.025 0.215 8 0 "[ . 1]"
1 64 CYS 1.762 0.268 5 0 "[ . 1]"
1 65 HIS 1.526 0.129 4 0 "[ . 1]"
1 66 ASP 1.941 0.171 2 0 "[ . 1]"
1 67 PRO 0.928 0.088 8 0 "[ . 1]"
1 68 LYS 0.560 0.194 7 0 "[ . 1]"
1 69 LEU 0.626 0.194 7 0 "[ . 1]"
1 70 PRO 2.485 0.249 2 0 "[ . 1]"
1 71 TYR 1.963 0.203 8 0 "[ . 1]"
1 72 HIS 1.687 0.203 8 0 "[ . 1]"
1 73 ASP 0.748 0.247 3 0 "[ . 1]"
1 74 PHE 3.379 0.249 2 0 "[ . 1]"
1 75 ILE 1.908 0.128 4 0 "[ . 1]"
1 76 LEU 1.223 0.535 8 1 "[ . + 1]"
1 77 GLU 0.816 0.535 8 1 "[ . + 1]"
1 78 ASP 1.320 0.218 6 0 "[ . 1]"
1 79 ALA 2.924 0.257 7 0 "[ . 1]"
1 80 ALA 0.052 0.052 7 0 "[ . 1]"
1 81 SER 2.242 0.257 7 0 "[ . 1]"
1 82 PRO 0.402 0.103 6 0 "[ . 1]"
1 83 LYS 1.270 0.172 8 0 "[ . 1]"
1 85 ILE 0.586 0.194 1 0 "[ . 1]"
1 87 LYS 1.757 0.246 6 0 "[ . 1]"
1 88 GLU 0.911 0.169 10 0 "[ . 1]"
1 89 LYS 2.876 0.246 6 0 "[ . 1]"
1 90 LYS 5.477 0.447 9 0 "[ . 1]"
1 91 LYS 1.505 0.299 10 0 "[ . 1]"
1 92 PRO 1.420 0.213 2 0 "[ . 1]"
1 93 GLY 1.110 0.213 2 0 "[ . 1]"
1 94 GLU 2.116 0.701 10 1 "[ . +]"
1 95 THR 6.077 0.447 9 0 "[ . 1]"
1 96 PHE 2.044 0.701 10 1 "[ . +]"
1 97 PHE 1.605 0.233 2 0 "[ . 1]"
1 98 MET 0.568 0.088 10 0 "[ . 1]"
1 100 SER 0.076 0.053 7 0 "[ . 1]"
1 101 CYS 2.868 0.242 7 0 "[ . 1]"
1 102 SER 0.894 0.130 10 0 "[ . 1]"
1 103 SER 0.845 0.393 5 0 "[ . 1]"
1 104 ASP 2.265 0.393 5 0 "[ . 1]"
1 105 GLU 1.432 0.198 10 0 "[ . 1]"
1 106 CYS 2.140 0.254 9 0 "[ . 1]"
1 107 ASN 0.125 0.075 3 0 "[ . 1]"
1 108 ASP 1.603 0.320 3 0 "[ . 1]"
1 109 ASN 0.123 0.123 3 0 "[ . 1]"
1 110 ILE 3.713 0.704 9 1 "[ . +1]"
1 111 ILE 4.962 0.704 9 1 "[ . +1]"
1 112 PHE 0.463 0.101 6 0 "[ . 1]"
1 113 SER 3.053 0.250 3 0 "[ . 1]"
1 114 GLU 1.330 0.281 6 0 "[ . 1]"
1 115 GLU 1.921 0.282 1 0 "[ . 1]"
1 116 TYR 0.910 0.282 1 0 "[ . 1]"
1 117 ASN 3.510 0.675 9 1 "[ . +1]"
1 118 THR 0.130 0.074 6 0 "[ . 1]"
1 119 SER 2.966 0.869 7 2 "[ - + 1]"
1 120 ASN 0.850 0.191 8 0 "[ . 1]"
1 121 PRO 3.687 0.869 7 3 "[ * + -1]"
1 122 ASP 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR HA 1 3 ASP H 4.300 . 4.600 2.712 2.234 3.592 . 0 0 "[ . 1]" 1
2 1 2 THR HA 1 3 ASP QB 3.400 . 4.700 4.353 3.955 5.069 0.369 2 0 "[ . 1]" 1
3 1 2 THR HB 1 3 ASP H 4.900 . 5.200 3.270 1.928 4.401 . 0 0 "[ . 1]" 1
4 1 2 THR MG 1 3 ASP H 6.400 . 7.700 3.717 2.585 4.147 . 0 0 "[ . 1]" 1
5 1 2 THR MG 1 3 ASP HA 6.000 . 7.300 4.970 3.537 5.784 . 0 0 "[ . 1]" 1
6 1 2 THR MG 1 6 GLY QA 6.000 . 8.300 6.645 5.565 8.157 . 0 0 "[ . 1]" 1
7 1 2 THR MG 1 8 VAL QG 5.800 . 8.800 7.341 3.354 8.567 . 0 0 "[ . 1]" 1
8 1 3 ASP HA 1 4 ASN H 4.300 . 4.600 2.914 2.193 3.564 . 0 0 "[ . 1]" 1
9 1 3 ASP QB 1 4 ASN H 4.500 . 5.800 3.281 1.893 4.062 . 0 0 "[ . 1]" 1
10 1 4 ASN HA 1 5 ALA H 2.300 . 2.600 2.424 2.193 2.888 0.288 2 0 "[ . 1]" 1
11 1 4 ASN QB 1 5 ALA H 2.300 . 3.600 3.209 2.236 3.970 0.370 2 0 "[ . 1]" 1
12 1 4 ASN QB 1 7 ALA HA 4.100 . 5.400 5.252 4.799 5.462 0.062 5 0 "[ . 1]" 1
13 1 5 ALA HA 1 6 GLY H 4.500 . 4.800 3.109 2.439 3.560 . 0 0 "[ . 1]" 1
14 1 5 ALA MB 1 6 GLY H 6.300 . 7.600 2.927 2.375 3.710 . 0 0 "[ . 1]" 1
15 1 5 ALA MB 1 8 VAL HA 6.000 . 7.300 5.749 2.571 7.042 . 0 0 "[ . 1]" 1
16 1 5 ALA MB 1 9 LYS HA 5.000 . 6.300 5.099 2.856 6.332 0.032 1 0 "[ . 1]" 1
17 1 6 GLY H 1 7 ALA H 4.700 . 5.000 3.562 2.279 4.624 . 0 0 "[ . 1]" 1
18 1 6 GLY QA 1 7 ALA H 3.900 . 5.200 2.484 2.166 2.935 . 0 0 "[ . 1]" 1
19 1 7 ALA HA 1 8 VAL H 3.600 . 3.900 3.285 2.446 3.597 . 0 0 "[ . 1]" 1
20 1 7 ALA MB 1 8 VAL H 4.600 . 5.900 2.759 2.039 3.666 . 0 0 "[ . 1]" 1
21 1 7 ALA MB 1 9 LYS QE 4.500 . 6.800 6.184 2.660 6.892 0.092 2 0 "[ . 1]" 1
22 1 8 VAL HA 1 9 LYS H 3.000 . 3.300 2.728 2.217 3.536 0.236 8 0 "[ . 1]" 1
23 1 8 VAL HB 1 9 LYS H 4.400 . 4.700 3.334 1.939 4.611 . 0 0 "[ . 1]" 1
24 1 8 VAL QG 1 9 LYS H 5.100 . 7.100 2.884 1.890 3.621 . 0 0 "[ . 1]" 1
25 1 8 VAL QG 1 9 LYS HA 6.000 . 8.000 3.828 3.268 4.356 . 0 0 "[ . 1]" 1
26 1 8 VAL QG 1 10 PHE QD 6.000 . 9.000 4.248 1.798 6.243 0.002 9 0 "[ . 1]" 1
27 1 9 LYS H 1 10 PHE H 4.200 . 4.500 3.319 2.345 4.533 0.033 7 0 "[ . 1]" 1
28 1 9 LYS HA 1 10 PHE H 2.900 . 3.200 2.916 2.217 3.536 0.336 6 0 "[ . 1]" 1
29 1 9 LYS QB 1 10 PHE H 3.500 . 4.800 2.972 1.864 3.925 . 0 0 "[ . 1]" 1
30 1 9 LYS QG 1 10 PHE H 3.800 . 5.100 4.039 3.115 4.482 . 0 0 "[ . 1]" 1
31 1 10 PHE H 1 11 PRO QD 4.500 . 5.800 3.644 1.909 4.420 . 0 0 "[ . 1]" 1
32 1 10 PHE HA 1 11 PRO QD 2.600 . 3.900 2.491 2.005 3.575 . 0 0 "[ . 1]" 1
33 1 10 PHE QB 1 11 PRO QD 3.200 . 5.500 2.272 1.737 3.736 0.063 8 0 "[ . 1]" 1
34 1 10 PHE QD 1 13 LEU QD 2.800 . 5.800 4.001 2.373 5.866 0.066 4 0 "[ . 1]" 1
35 1 10 PHE QD 1 39 ILE MD 2.800 . 5.100 4.243 2.789 5.231 0.131 8 0 "[ . 1]" 1
36 1 11 PRO HA 1 43 PRO HA 2.900 . 3.200 2.978 1.929 3.315 0.115 1 0 "[ . 1]" 1
37 1 11 PRO QB 1 40 CYS QB 4.100 . 6.400 3.420 2.625 4.338 . 0 0 "[ . 1]" 1
38 1 12 GLN H 1 40 CYS QB 3.600 . 4.900 3.732 3.060 4.386 . 0 0 "[ . 1]" 1
39 1 12 GLN H 1 43 PRO HA 3.400 . 3.700 2.472 1.913 3.291 . 0 0 "[ . 1]" 1
40 1 12 GLN HA 1 13 LEU H 2.700 . 3.000 2.250 2.204 2.304 . 0 0 "[ . 1]" 1
41 1 12 GLN QB 1 13 LEU H 3.200 . 4.500 3.590 3.020 3.877 . 0 0 "[ . 1]" 1
42 1 12 GLN QB 1 13 LEU QB 3.500 . 5.800 5.177 4.897 5.449 . 0 0 "[ . 1]" 1
43 1 12 GLN QB 1 40 CYS H 4.000 . 5.300 4.500 3.742 5.361 0.061 8 0 "[ . 1]" 1
44 1 12 GLN QB 1 40 CYS QB 3.800 . 6.100 3.178 2.340 4.625 . 0 0 "[ . 1]" 1
45 1 12 GLN QB 1 46 VAL HA 3.300 . 4.600 4.234 3.778 4.734 0.134 2 0 "[ . 1]" 1
46 1 12 GLN QB 1 46 VAL QG 3.800 . 6.800 4.713 4.358 4.967 . 0 0 "[ . 1]" 1
47 1 12 GLN QG 1 13 LEU H 3.200 . 4.500 2.885 2.373 3.862 . 0 0 "[ . 1]" 1
48 1 12 GLN QG 1 13 LEU HA 3.600 . 4.900 4.062 3.891 4.218 . 0 0 "[ . 1]" 1
49 1 12 GLN QG 1 40 CYS H 4.100 . 5.400 4.614 3.683 5.357 . 0 0 "[ . 1]" 1
50 1 12 GLN QG 1 40 CYS QB 3.600 . 4.600 3.734 2.501 4.613 0.013 7 0 "[ . 1]" 1
51 1 12 GLN QG 1 46 VAL HA 3.700 . 5.000 3.648 2.430 4.729 . 0 0 "[ . 1]" 1
52 1 12 GLN QG 1 46 VAL QG 5.000 . 8.000 4.551 3.724 5.352 . 0 0 "[ . 1]" 1
53 1 12 GLN QG 1 64 CYS QB 3.900 . 6.200 5.161 3.811 6.246 0.046 1 0 "[ . 1]" 1
54 1 13 LEU H 1 104 ASP HA 3.200 . 3.500 2.990 2.266 3.518 0.018 3 0 "[ . 1]" 1
55 1 13 LEU HA 1 14 CYS H 3.000 . 3.300 2.319 2.228 2.490 . 0 0 "[ . 1]" 1
56 1 13 LEU HA 1 14 CYS QB 4.000 . 5.300 3.924 3.675 4.386 . 0 0 "[ . 1]" 1
57 1 13 LEU HA 1 37 THR MG 5.000 . 6.300 5.214 4.377 6.332 0.032 3 0 "[ . 1]" 1
58 1 13 LEU HA 1 39 ILE HA 2.800 . 3.100 2.379 1.799 2.822 0.001 1 0 "[ . 1]" 1
59 1 13 LEU HA 1 39 ILE QG 3.300 . 4.600 3.785 2.978 4.840 0.240 1 0 "[ . 1]" 1
60 1 13 LEU HA 1 39 ILE MG 5.600 . 6.900 3.990 3.063 5.056 . 0 0 "[ . 1]" 1
61 1 13 LEU HA 1 40 CYS H 3.500 . 3.800 2.852 2.575 3.091 . 0 0 "[ . 1]" 1
62 1 13 LEU QB 1 14 CYS H 4.000 . 5.300 3.084 2.825 3.664 . 0 0 "[ . 1]" 1
63 1 13 LEU QB 1 37 THR MG 3.400 . 5.700 3.849 2.823 5.171 . 0 0 "[ . 1]" 1
64 1 13 LEU QB 1 39 ILE MG 4.900 . 7.200 4.562 3.424 5.552 . 0 0 "[ . 1]" 1
65 1 13 LEU QB 1 104 ASP HA . . 3.300 3.451 3.327 3.528 0.228 7 0 "[ . 1]" 1
66 1 13 LEU QB 1 104 ASP QB 4.100 . 6.400 3.412 2.979 3.960 . 0 0 "[ . 1]" 1
67 1 13 LEU QB 1 105 GLU H 3.400 . 4.700 4.286 3.171 4.830 0.130 7 0 "[ . 1]" 1
68 1 13 LEU QD 1 14 CYS H 4.800 . 6.800 3.440 1.991 4.253 . 0 0 "[ . 1]" 1
69 1 13 LEU QD 1 14 CYS HA 5.600 . 6.600 4.634 2.892 5.241 . 0 0 "[ . 1]" 1
70 1 13 LEU QD 1 37 THR HB 5.400 . 7.400 4.386 2.040 5.890 . 0 0 "[ . 1]" 1
71 1 13 LEU QD 1 37 THR MG 4.600 . 7.200 3.152 1.756 5.053 0.044 5 0 "[ . 1]" 1
72 1 13 LEU QD 1 38 SER HA 5.800 . 7.800 4.677 3.855 5.430 . 0 0 "[ . 1]" 1
73 1 13 LEU QD 1 39 ILE HA 6.000 . 6.600 3.256 2.915 3.453 . 0 0 "[ . 1]" 1
74 1 13 LEU QD 1 39 ILE MD 4.600 . 7.600 2.903 1.977 3.984 . 0 0 "[ . 1]" 1
75 1 13 LEU QD 1 39 ILE QG 3.600 . 6.600 2.525 1.878 4.448 . 0 0 "[ . 1]" 1
76 1 13 LEU QD 1 39 ILE MG 4.200 . 7.200 3.186 2.001 4.005 . 0 0 "[ . 1]" 1
77 1 13 LEU QD 1 40 CYS H 4.900 . 6.900 4.420 4.326 4.524 . 0 0 "[ . 1]" 1
78 1 13 LEU QD 1 104 ASP QB 5.400 . 8.400 3.808 3.554 4.463 . 0 0 "[ . 1]" 1
79 1 13 LEU HG 1 14 CYS H 4.300 . 4.600 3.831 2.502 4.416 . 0 0 "[ . 1]" 1
80 1 13 LEU HG 1 39 ILE MG 4.500 . 5.800 3.565 2.380 4.569 . 0 0 "[ . 1]" 1
81 1 13 LEU HG 1 40 CYS H 3.600 . 3.900 3.989 3.885 4.088 0.188 3 0 "[ . 1]" 1
82 1 14 CYS H 1 37 THR HA 4.300 . 4.600 4.596 4.288 4.708 0.108 3 0 "[ . 1]" 1
83 1 14 CYS H 1 37 THR MG 4.800 . 6.100 4.061 3.230 5.664 . 0 0 "[ . 1]" 1
84 1 14 CYS H 1 38 SER QB 4.000 . 5.300 4.369 3.974 4.608 . 0 0 "[ . 1]" 1
85 1 14 CYS H 1 39 ILE HA 3.700 . 4.000 3.418 3.013 3.888 . 0 0 "[ . 1]" 1
86 1 14 CYS H 1 40 CYS H 3.800 . 4.100 3.942 3.539 4.185 0.085 6 0 "[ . 1]" 1
87 1 14 CYS HA 1 15 LYS H 2.700 . 3.000 2.598 2.414 2.813 . 0 0 "[ . 1]" 1
88 1 14 CYS HA 1 105 GLU HA 2.500 . 2.800 2.677 2.403 2.910 0.110 10 0 "[ . 1]" 1
89 1 14 CYS QB 1 15 LYS H 3.200 . 4.300 2.492 1.903 3.184 . 0 0 "[ . 1]" 1
90 1 14 CYS QB 1 47 CYS HA 4.100 . 5.400 4.253 3.886 4.823 . 0 0 "[ . 1]" 1
91 1 15 LYS H 1 105 GLU HA 3.300 . 3.600 3.403 2.829 3.642 0.042 7 0 "[ . 1]" 1
92 1 15 LYS HA 1 16 PHE H 2.800 . 3.100 2.308 2.258 2.367 . 0 0 "[ . 1]" 1
93 1 15 LYS HA 1 37 THR HA 2.800 . 3.100 2.262 2.029 2.451 . 0 0 "[ . 1]" 1
94 1 15 LYS HA 1 37 THR MG 4.900 . 6.200 3.769 3.183 5.075 . 0 0 "[ . 1]" 1
95 1 15 LYS HA 1 38 SER H 3.500 . 3.800 3.031 2.685 3.501 . 0 0 "[ . 1]" 1
96 1 15 LYS QB 1 16 PHE H 3.300 . 4.600 3.163 3.014 3.753 . 0 0 "[ . 1]" 1
97 1 15 LYS QB 1 32 SER QB 4.100 . 6.400 4.550 4.102 5.081 . 0 0 "[ . 1]" 1
98 1 15 LYS QB 1 37 THR HA 3.000 . 4.300 4.236 3.926 4.423 0.123 6 0 "[ . 1]" 1
99 1 15 LYS QB 1 62 THR HB 3.400 . 4.100 3.901 3.343 4.149 0.049 10 0 "[ . 1]" 1
100 1 15 LYS QB 1 62 THR MG 4.200 . 6.500 3.010 2.209 4.229 . 0 0 "[ . 1]" 1
101 1 15 LYS QB 1 108 ASP H 4.100 . 5.400 4.347 3.343 4.767 . 0 0 "[ . 1]" 1
102 1 15 LYS QE 1 108 ASP H 3.900 . 5.200 4.155 2.908 5.160 . 0 0 "[ . 1]" 1
103 1 15 LYS QG 1 16 PHE H 4.100 . 5.400 3.888 2.759 4.147 . 0 0 "[ . 1]" 1
104 1 15 LYS QG 1 105 GLU HA 4.200 . 5.500 3.679 2.724 5.570 0.070 1 0 "[ . 1]" 1
105 1 15 LYS QG 1 105 GLU QG 4.200 . 6.400 3.509 1.970 6.228 . 0 0 "[ . 1]" 1
106 1 15 LYS QG 1 107 ASN QB 4.000 . 6.300 4.551 3.015 5.740 . 0 0 "[ . 1]" 1
107 1 15 LYS QG 1 108 ASP H 4.100 . 5.100 4.387 3.967 4.808 . 0 0 "[ . 1]" 1
108 1 15 LYS QG 1 108 ASP QB 4.000 . 6.300 3.603 3.074 4.447 . 0 0 "[ . 1]" 1
109 1 16 PHE H 1 17 CYS H 3.700 . 4.000 3.530 3.456 3.638 . 0 0 "[ . 1]" 1
110 1 16 PHE H 1 36 ILE H 4.100 . 4.400 4.419 3.964 4.608 0.208 2 0 "[ . 1]" 1
111 1 16 PHE H 1 36 ILE HB 3.400 . 3.700 3.256 2.823 3.479 . 0 0 "[ . 1]" 1
112 1 16 PHE H 1 36 ILE MG 4.600 . 5.900 3.414 3.040 3.714 . 0 0 "[ . 1]" 1
113 1 16 PHE H 1 37 THR HA 3.500 . 3.800 3.557 3.283 3.749 . 0 0 "[ . 1]" 1
114 1 16 PHE H 1 38 SER H 3.900 . 4.200 3.628 3.392 3.743 . 0 0 "[ . 1]" 1
115 1 16 PHE HA 1 17 CYS H 2.800 . 3.100 2.456 2.436 2.480 . 0 0 "[ . 1]" 1
116 1 16 PHE HA 1 38 SER QB 3.400 . 4.700 4.192 3.822 4.520 . 0 0 "[ . 1]" 1
117 1 16 PHE HA 1 63 VAL HA 2.800 . 3.100 3.196 3.076 3.315 0.215 8 0 "[ . 1]" 1
118 1 16 PHE HA 1 63 VAL QG 4.900 . 6.900 4.444 4.201 4.700 . 0 0 "[ . 1]" 1
119 1 16 PHE QB 1 17 CYS H 3.800 . 5.100 4.076 3.998 4.110 . 0 0 "[ . 1]" 1
120 1 16 PHE QB 1 36 ILE MG 4.600 . 6.500 3.445 2.306 3.982 . 0 0 "[ . 1]" 1
121 1 16 PHE QB 1 38 SER H 4.200 . 5.500 3.497 3.080 3.753 . 0 0 "[ . 1]" 1
122 1 16 PHE QB 1 38 SER QB 2.800 . 5.100 1.833 1.737 2.037 0.063 9 0 "[ . 1]" 1
123 1 16 PHE QD 1 17 CYS H 3.500 . 4.800 4.334 3.807 4.515 . 0 0 "[ . 1]" 1
124 1 16 PHE QD 1 18 ASP H 3.500 . 4.800 3.872 3.226 4.271 . 0 0 "[ . 1]" 1
125 1 16 PHE QD 1 38 SER QB 3.200 . 5.300 3.224 2.595 3.743 . 0 0 "[ . 1]" 1
126 1 16 PHE QD 1 63 VAL HA 3.500 . 4.700 2.349 1.886 3.302 . 0 0 "[ . 1]" 1
127 1 16 PHE QD 1 63 VAL QG 5.000 . 5.800 2.844 2.240 3.432 . 0 0 "[ . 1]" 1
128 1 17 CYS H 1 18 ASP H 3.000 . 3.300 2.484 2.302 3.712 0.412 10 0 "[ . 1]" 1
129 1 17 CYS H 1 62 THR H 3.500 . 3.800 3.857 3.827 3.922 0.122 10 0 "[ . 1]" 1
130 1 17 CYS H 1 62 THR MG 4.500 . 5.800 3.600 2.786 4.247 . 0 0 "[ . 1]" 1
131 1 17 CYS H 1 63 VAL QG 4.800 . 6.800 5.513 5.375 5.645 . 0 0 "[ . 1]" 1
132 1 17 CYS HA 1 18 ASP H 3.900 . 4.200 3.301 2.384 3.428 . 0 0 "[ . 1]" 1
133 1 17 CYS HA 1 36 ILE HB 3.100 . 3.400 3.429 2.991 3.599 0.199 10 0 "[ . 1]" 1
134 1 17 CYS HA 1 36 ILE MD 4.100 . 5.400 3.228 2.442 5.321 . 0 0 "[ . 1]" 1
135 1 17 CYS QB 1 18 ASP H 4.100 . 5.400 3.279 3.133 3.987 . 0 0 "[ . 1]" 1
136 1 17 CYS QB 1 20 ARG QG 2.900 . 5.200 3.722 2.003 4.795 . 0 0 "[ . 1]" 1
137 1 17 CYS QB 1 36 ILE HB 2.800 . 4.100 3.986 3.547 4.237 0.137 6 0 "[ . 1]" 1
138 1 17 CYS QB 1 36 ILE MD 5.800 . 8.100 3.924 3.058 5.650 . 0 0 "[ . 1]" 1
139 1 17 CYS QB 1 62 THR H 4.000 . 5.300 3.879 3.567 4.128 . 0 0 "[ . 1]" 1
140 1 18 ASP H 1 19 VAL H 4.200 . 4.500 4.644 4.457 4.674 0.174 4 0 "[ . 1]" 1
141 1 18 ASP H 1 61 GLU QG 4.100 . 5.400 4.242 3.978 4.861 . 0 0 "[ . 1]" 1
142 1 18 ASP H 1 62 THR H 3.600 . 3.900 3.124 2.896 4.115 0.215 10 0 "[ . 1]" 1
143 1 18 ASP H 1 63 VAL QG 4.600 . 6.600 4.718 4.491 5.567 . 0 0 "[ . 1]" 1
144 1 18 ASP HA 1 19 VAL H 3.200 . 3.500 2.995 2.887 3.105 . 0 0 "[ . 1]" 1
145 1 18 ASP HA 1 19 VAL QG 5.100 . 6.600 3.791 3.434 4.389 . 0 0 "[ . 1]" 1
146 1 18 ASP HA 1 61 GLU QG 3.300 . 4.600 2.932 2.611 3.142 . 0 0 "[ . 1]" 1
147 1 18 ASP HA 1 62 THR H 3.100 . 3.400 3.344 2.839 3.472 0.072 5 0 "[ . 1]" 1
148 1 18 ASP HA 1 63 VAL HB 3.600 . 3.900 3.660 3.410 3.954 0.054 10 0 "[ . 1]" 1
149 1 18 ASP HA 1 63 VAL QG 4.000 . 6.000 4.123 3.914 4.366 . 0 0 "[ . 1]" 1
150 1 18 ASP QB 1 19 VAL H 2.700 . 4.000 2.129 1.919 2.639 . 0 0 "[ . 1]" 1
151 1 18 ASP QB 1 19 VAL QG 6.000 . 9.000 3.057 2.731 3.632 . 0 0 "[ . 1]" 1
152 1 18 ASP QB 1 63 VAL QG 4.200 . 7.200 5.076 4.735 5.306 . 0 0 "[ . 1]" 1
153 1 19 VAL H 1 61 GLU HA 4.100 . 4.400 4.474 4.143 4.626 0.226 5 0 "[ . 1]" 1
154 1 19 VAL HA 1 20 ARG H 2.700 . 3.000 2.217 2.143 2.255 . 0 0 "[ . 1]" 1
155 1 19 VAL HA 1 61 GLU HA . . 2.600 2.427 2.118 2.748 0.148 10 0 "[ . 1]" 1
156 1 19 VAL QG 1 20 ARG H 4.300 . 6.000 3.151 2.526 3.670 . 0 0 "[ . 1]" 1
157 1 19 VAL QG 1 20 ARG HA 5.000 . 7.000 3.669 3.287 3.956 . 0 0 "[ . 1]" 1
158 1 19 VAL QG 1 20 ARG QG 4.600 . 7.600 4.647 3.721 5.377 . 0 0 "[ . 1]" 1
159 1 19 VAL QG 1 21 PHE QD 6.000 . 9.000 5.356 4.395 6.556 . 0 0 "[ . 1]" 1
160 1 19 VAL QG 1 52 ARG QG 6.000 . 9.000 5.410 4.077 6.756 . 0 0 "[ . 1]" 1
161 1 19 VAL QG 1 59 THR HB 5.200 . 7.200 4.183 2.230 5.939 . 0 0 "[ . 1]" 1
162 1 19 VAL QG 1 60 LEU H 4.000 . 6.000 4.825 3.690 5.749 . 0 0 "[ . 1]" 1
163 1 19 VAL QG 1 61 GLU HA 4.800 . 6.800 3.732 3.597 4.000 . 0 0 "[ . 1]" 1
164 1 19 VAL QG 1 61 GLU QB 5.400 . 8.200 2.722 2.126 2.965 . 0 0 "[ . 1]" 1
165 1 19 VAL QG 1 61 GLU QG 3.700 . 6.700 2.503 1.883 3.479 . 0 0 "[ . 1]" 1
166 1 20 ARG H 1 60 LEU H 3.300 . 3.600 3.116 2.592 3.438 . 0 0 "[ . 1]" 1
167 1 20 ARG H 1 61 GLU HA 3.300 . 3.600 3.140 2.822 3.662 0.062 10 0 "[ . 1]" 1
168 1 20 ARG HA 1 21 PHE H 3.200 . 3.500 2.415 2.275 2.796 . 0 0 "[ . 1]" 1
169 1 20 ARG QB 1 21 PHE H 3.400 . 4.700 3.087 1.993 3.677 . 0 0 "[ . 1]" 1
170 1 20 ARG QD 1 21 PHE H 3.800 . 5.100 3.599 2.044 4.825 . 0 0 "[ . 1]" 1
171 1 20 ARG QG 1 21 PHE H 4.000 . 5.300 3.156 2.227 4.528 . 0 0 "[ . 1]" 1
172 1 21 PHE H 1 59 THR MG 5.000 . 6.300 4.841 4.110 6.333 0.033 1 0 "[ . 1]" 1
173 1 21 PHE H 1 60 LEU H 4.500 . 4.800 4.642 3.671 4.923 0.123 10 0 "[ . 1]" 1
174 1 21 PHE HA 1 22 SER H 2.700 . 3.000 2.304 2.216 2.421 . 0 0 "[ . 1]" 1
175 1 21 PHE HA 1 22 SER QB 3.200 . 4.500 4.035 3.656 4.463 . 0 0 "[ . 1]" 1
176 1 21 PHE HA 1 59 THR HA 2.400 . 2.700 2.317 1.917 2.643 . 0 0 "[ . 1]" 1
177 1 21 PHE HA 1 59 THR MG 4.000 . 5.300 3.220 2.256 4.610 . 0 0 "[ . 1]" 1
178 1 21 PHE HA 1 60 LEU H 3.400 . 3.700 3.320 1.920 3.800 0.100 2 0 "[ . 1]" 1
179 1 21 PHE QB 1 22 SER H 3.400 . 4.700 3.256 2.462 3.974 . 0 0 "[ . 1]" 1
180 1 21 PHE QB 1 59 THR MG 6.000 . 8.300 4.128 2.221 5.963 . 0 0 "[ . 1]" 1
181 1 21 PHE QD 1 22 SER H 3.700 . 5.000 3.784 2.927 4.501 . 0 0 "[ . 1]" 1
182 1 21 PHE QD 1 23 THR MG 5.700 . 8.000 6.150 3.934 7.848 . 0 0 "[ . 1]" 1
183 1 21 PHE QD 1 57 ASN QB 3.600 . 5.900 4.651 3.533 6.024 0.124 5 0 "[ . 1]" 1
184 1 21 PHE QD 1 59 THR MG 5.000 . 5.100 3.566 1.966 5.082 . 0 0 "[ . 1]" 1
185 1 22 SER H 1 58 ILE HB 3.900 . 4.200 3.528 3.078 4.250 0.050 8 0 "[ . 1]" 1
186 1 22 SER H 1 58 ILE MG 4.600 . 5.900 3.369 2.255 3.862 . 0 0 "[ . 1]" 1
187 1 22 SER H 1 59 THR HA 3.200 . 3.500 2.722 1.912 3.609 0.109 5 0 "[ . 1]" 1
188 1 22 SER H 1 59 THR MG 4.400 . 5.700 4.184 3.226 5.229 . 0 0 "[ . 1]" 1
189 1 22 SER H 1 60 LEU H 3.800 . 4.100 3.686 2.367 4.174 0.074 7 0 "[ . 1]" 1
190 1 22 SER HA 1 23 THR H 2.700 . 3.000 2.384 2.305 2.474 . 0 0 "[ . 1]" 1
191 1 22 SER HA 1 23 THR MG 5.700 . 7.000 4.198 3.231 5.384 . 0 0 "[ . 1]" 1
192 1 22 SER QB 1 23 THR H 3.600 . 4.900 3.000 2.542 3.471 . 0 0 "[ . 1]" 1
193 1 22 SER QB 1 24 CYS H 3.600 . 4.900 3.200 2.495 4.988 0.088 8 0 "[ . 1]" 1
194 1 22 SER QB 1 24 CYS QB 2.700 . 5.000 3.433 2.972 4.134 . 0 0 "[ . 1]" 1
195 1 22 SER QB 1 58 ILE MG 4.600 . 6.100 2.720 2.276 3.356 . 0 0 "[ . 1]" 1
196 1 22 SER QB 1 60 LEU H 5.000 . 5.000 3.335 2.768 4.569 . 0 0 "[ . 1]" 1
197 1 22 SER QB 1 60 LEU QB 3.300 . 5.500 2.450 1.778 3.290 0.022 8 0 "[ . 1]" 1
198 1 22 SER QB 1 60 LEU QD 5.500 . 8.500 3.132 2.507 3.529 . 0 0 "[ . 1]" 1
199 1 23 THR H 1 24 CYS QB 3.800 . 5.100 3.883 3.520 4.268 . 0 0 "[ . 1]" 1
200 1 23 THR HA 1 24 CYS H 3.300 . 3.600 3.197 2.229 3.445 . 0 0 "[ . 1]" 1
201 1 23 THR HA 1 58 ILE QG 3.100 . 4.400 4.402 4.050 4.532 0.132 2 0 "[ . 1]" 1
202 1 23 THR MG 1 24 CYS H 4.700 . 6.000 3.697 2.336 4.211 . 0 0 "[ . 1]" 1
203 1 23 THR MG 1 25 ASP QB 4.100 . 6.400 5.190 3.831 6.459 0.059 1 0 "[ . 1]" 1
204 1 23 THR MG 1 58 ILE HB 6.000 . 7.300 4.979 4.263 5.854 . 0 0 "[ . 1]" 1
205 1 23 THR MG 1 58 ILE MD 5.100 . 7.400 4.137 2.937 6.571 . 0 0 "[ . 1]" 1
206 1 24 CYS H 1 51 TRP HE1 3.900 . 4.200 3.958 3.246 4.346 0.146 7 0 "[ . 1]" 1
207 1 24 CYS H 1 58 ILE MD 4.900 . 6.200 4.225 2.030 6.095 . 0 0 "[ . 1]" 1
208 1 24 CYS H 1 58 ILE MG 4.800 . 6.100 3.514 2.820 3.981 . 0 0 "[ . 1]" 1
209 1 24 CYS QB 1 25 ASP H 3.700 . 5.000 3.640 2.608 4.051 . 0 0 "[ . 1]" 1
210 1 24 CYS QB 1 51 TRP HE1 2.800 . 4.100 3.022 1.923 3.793 . 0 0 "[ . 1]" 1
211 1 24 CYS QB 1 58 ILE MD 6.000 . 8.300 4.787 3.715 6.129 . 0 0 "[ . 1]" 1
212 1 24 CYS QB 1 60 LEU QD 5.300 . 8.300 4.047 3.479 4.765 . 0 0 "[ . 1]" 1
213 1 24 CYS QB 1 110 ILE MD 5.600 . 7.500 4.765 2.797 6.187 . 0 0 "[ . 1]" 1
214 1 25 ASP HA 1 26 ASN H 3.100 . 3.400 2.716 2.180 3.538 0.138 4 0 "[ . 1]" 1
215 1 25 ASP HA 1 51 TRP HH2 4.300 . 4.600 4.483 3.892 4.750 0.150 4 0 "[ . 1]" 1
216 1 25 ASP HA 1 51 TRP HZ2 2.900 . 3.200 2.885 1.986 3.308 0.108 8 0 "[ . 1]" 1
217 1 25 ASP HA 1 58 ILE MD 4.900 . 6.200 3.565 2.548 4.420 . 0 0 "[ . 1]" 1
218 1 25 ASP QB 1 26 ASN H 3.700 . 4.900 2.872 1.884 4.018 . 0 0 "[ . 1]" 1
219 1 25 ASP QB 1 58 ILE MD 4.700 . 6.800 3.115 2.142 4.219 . 0 0 "[ . 1]" 1
220 1 26 ASN HA 1 27 GLN H 3.500 . 3.800 2.458 2.118 3.528 . 0 0 "[ . 1]" 1
221 1 26 ASN QB 1 27 GLN H 3.600 . 4.900 3.467 1.892 4.020 . 0 0 "[ . 1]" 1
222 1 27 GLN H 1 112 PHE QB 4.200 . 5.500 3.969 2.541 5.446 . 0 0 "[ . 1]" 1
223 1 27 GLN H 1 112 PHE QD 4.300 . 5.600 4.246 2.436 5.692 0.092 1 0 "[ . 1]" 1
224 1 27 GLN QB 1 28 LYS H 3.300 . 4.600 2.637 1.837 4.070 . 0 0 "[ . 1]" 1
225 1 28 LYS HA 1 29 SER H 3.300 . 3.600 3.166 2.389 3.591 . 0 0 "[ . 1]" 1
226 1 28 LYS HA 1 112 PHE QB 3.900 . 5.200 3.387 2.340 5.225 0.025 9 0 "[ . 1]" 1
227 1 28 LYS HA 1 113 SER QB 3.300 . 4.600 3.321 2.368 4.099 . 0 0 "[ . 1]" 1
228 1 28 LYS QB 1 29 SER H 2.900 . 4.200 2.921 1.824 4.053 . 0 0 "[ . 1]" 1
229 1 28 LYS QB 1 113 SER QB 3.400 . 5.700 4.385 3.194 5.307 . 0 0 "[ . 1]" 1
230 1 28 LYS QD 1 29 SER H 3.500 . 4.800 4.371 3.858 4.868 0.068 10 0 "[ . 1]" 1
231 1 28 LYS QD 1 29 SER QB 3.700 . 6.000 4.889 3.775 6.058 0.058 8 0 "[ . 1]" 1
232 1 28 LYS QD 1 112 PHE QB 4.100 . 6.400 5.349 2.920 6.478 0.078 9 0 "[ . 1]" 1
233 1 28 LYS QD 1 113 SER QB 4.000 . 6.300 4.575 2.139 6.115 . 0 0 "[ . 1]" 1
234 1 28 LYS QE 1 111 ILE MG 5.800 . 8.100 6.990 5.346 8.205 0.105 9 0 "[ . 1]" 1
235 1 28 LYS QE 1 113 SER QB 5.000 . 7.300 4.995 2.505 7.097 . 0 0 "[ . 1]" 1
236 1 28 LYS QG 1 29 SER H 4.000 . 5.200 4.033 3.279 4.968 . 0 0 "[ . 1]" 1
237 1 29 SER H 1 30 CYS H 4.000 . 4.300 4.305 3.541 4.560 0.260 6 0 "[ . 1]" 1
238 1 29 SER HA 1 30 CYS H 2.900 . 3.200 2.386 2.175 2.489 . 0 0 "[ . 1]" 1
239 1 29 SER HA 1 111 ILE HA 2.500 . 2.800 2.682 2.268 2.965 0.165 1 0 "[ . 1]" 1
240 1 29 SER HA 1 111 ILE MG 5.100 . 6.400 4.208 3.922 4.505 . 0 0 "[ . 1]" 1
241 1 29 SER HA 1 112 PHE H 3.200 . 3.500 2.625 2.074 3.327 . 0 0 "[ . 1]" 1
242 1 29 SER HA 1 112 PHE QD 2.900 . 4.200 3.177 1.927 4.301 0.101 6 0 "[ . 1]" 1
243 1 29 SER QB 1 30 CYS H 3.100 . 4.400 3.083 2.444 4.071 . 0 0 "[ . 1]" 1
244 1 29 SER QB 1 111 ILE HA 2.900 . 4.200 2.776 1.927 4.165 . 0 0 "[ . 1]" 1
245 1 29 SER QB 1 111 ILE MD 5.200 . 7.500 4.871 3.887 6.120 . 0 0 "[ . 1]" 1
246 1 29 SER QB 1 111 ILE QG 3.900 . 6.100 3.495 2.886 4.881 . 0 0 "[ . 1]" 1
247 1 29 SER QB 1 111 ILE MG 4.800 . 7.100 3.426 2.382 4.618 . 0 0 "[ . 1]" 1
248 1 29 SER QB 1 112 PHE H 3.200 . 4.500 3.359 2.634 4.513 0.013 6 0 "[ . 1]" 1
249 1 30 CYS H 1 110 ILE HB 3.800 . 4.100 4.149 3.187 4.636 0.536 9 1 "[ . +1]" 1
250 1 30 CYS H 1 110 ILE QG 4.000 . 5.300 3.683 1.874 5.271 . 0 0 "[ . 1]" 1
251 1 30 CYS H 1 111 ILE HA 3.700 . 4.000 3.835 3.198 4.319 0.319 3 0 "[ . 1]" 1
252 1 30 CYS HA 1 31 MET H 2.800 . 3.100 2.560 2.379 2.843 . 0 0 "[ . 1]" 1
253 1 30 CYS QB 1 31 MET H 3.600 . 4.900 2.679 2.211 3.230 . 0 0 "[ . 1]" 1
254 1 30 CYS QB 1 31 MET ME 6.000 . 8.300 6.298 5.750 7.444 . 0 0 "[ . 1]" 1
255 1 31 MET HA 1 109 ASN HA 2.800 . 3.100 2.347 1.918 3.223 0.123 3 0 "[ . 1]" 1
256 1 31 MET ME 1 109 ASN HA 5.900 . 7.200 4.838 3.930 5.768 . 0 0 "[ . 1]" 1
257 1 31 MET ME 1 109 ASN QB 4.600 . 6.900 4.686 3.497 6.386 . 0 0 "[ . 1]" 1
258 1 31 MET QG 1 32 SER H 3.300 . 4.600 3.871 2.441 4.295 . 0 0 "[ . 1]" 1
259 1 32 SER H 1 108 ASP HA 3.200 . 3.500 3.605 3.510 3.820 0.320 3 0 "[ . 1]" 1
260 1 32 SER HA 1 33 ASN H 4.000 . 4.300 2.399 2.227 3.405 . 0 0 "[ . 1]" 1
261 1 32 SER HA 1 60 LEU QD 3.700 . 5.700 3.224 1.843 3.635 . 0 0 "[ . 1]" 1
262 1 32 SER QB 1 34 CYS H 4.300 . 5.600 3.388 2.525 3.899 . 0 0 "[ . 1]" 1
263 1 32 SER QB 1 60 LEU QD 4.700 . 6.400 3.067 1.890 3.833 . 0 0 "[ . 1]" 1
264 1 32 SER QB 1 62 THR MG 4.000 . 6.300 4.505 2.993 5.162 . 0 0 "[ . 1]" 1
265 1 32 SER QB 1 108 ASP HA 3.600 . 4.900 2.632 1.741 3.725 0.059 3 0 "[ . 1]" 1
266 1 32 SER QB 1 110 ILE MD 5.300 . 7.600 5.785 4.193 6.963 . 0 0 "[ . 1]" 1
267 1 33 ASN H 1 34 CYS H 3.400 . 3.700 2.567 2.192 3.790 0.090 1 0 "[ . 1]" 1
268 1 33 ASN H 1 34 CYS QB 4.500 . 5.800 4.175 3.859 4.456 . 0 0 "[ . 1]" 1
269 1 33 ASN HA 1 34 CYS H 3.800 . 4.100 3.229 2.395 3.562 . 0 0 "[ . 1]" 1
270 1 34 CYS HA 1 36 ILE H 3.800 . 4.100 4.255 4.107 4.422 0.322 4 0 "[ . 1]" 1
271 1 34 CYS QB 1 35 SER H 2.600 . 3.900 2.861 2.321 3.710 . 0 0 "[ . 1]" 1
272 1 34 CYS QB 1 62 THR MG 4.300 . 6.600 5.349 3.790 6.616 0.016 2 0 "[ . 1]" 1
273 1 35 SER H 1 36 ILE H 3.200 . 3.500 2.647 1.877 3.529 0.029 3 0 "[ . 1]" 1
274 1 35 SER HA 1 36 ILE H 3.600 . 3.900 3.018 2.755 3.133 . 0 0 "[ . 1]" 1
275 1 35 SER HA 1 36 ILE MG 4.500 . 5.800 5.887 5.792 5.925 0.125 1 0 "[ . 1]" 1
276 1 35 SER QB 1 36 ILE H 4.200 . 5.500 3.809 3.624 4.059 . 0 0 "[ . 1]" 1
277 1 36 ILE H 1 37 THR H 4.000 . 4.300 4.351 4.328 4.380 0.080 2 0 "[ . 1]" 1
278 1 36 ILE HA 1 37 THR H 2.700 . 3.000 2.179 2.161 2.189 . 0 0 "[ . 1]" 1
279 1 36 ILE HB 1 37 THR H 4.000 . 4.300 4.336 4.313 4.364 0.064 9 0 "[ . 1]" 1
280 1 36 ILE QG 1 37 THR H 4.100 . 5.100 4.419 4.257 4.869 . 0 0 "[ . 1]" 1
281 1 36 ILE MG 1 37 THR H 4.300 . 5.600 2.973 2.843 3.108 . 0 0 "[ . 1]" 1
282 1 36 ILE MG 1 37 THR HA 4.400 . 5.700 4.168 4.081 4.274 . 0 0 "[ . 1]" 1
283 1 36 ILE MG 1 38 SER H 4.800 . 6.100 4.568 4.509 4.622 . 0 0 "[ . 1]" 1
284 1 36 ILE MG 1 38 SER HA 5.200 . 6.500 4.654 4.585 4.743 . 0 0 "[ . 1]" 1
285 1 36 ILE MG 1 38 SER QB 4.300 . 6.600 3.577 3.189 4.362 . 0 0 "[ . 1]" 1
286 1 37 THR HA 1 38 SER H 3.000 . 3.300 2.188 2.166 2.213 . 0 0 "[ . 1]" 1
287 1 37 THR HB 1 38 SER H 3.900 . 4.200 3.960 3.379 4.290 0.090 8 0 "[ . 1]" 1
288 1 37 THR MG 1 38 SER H 4.200 . 5.500 3.139 2.432 4.089 . 0 0 "[ . 1]" 1
289 1 37 THR MG 1 38 SER HA 4.800 . 6.100 4.274 3.649 5.539 . 0 0 "[ . 1]" 1
290 1 37 THR MG 1 105 GLU QG 4.600 . 6.900 4.465 2.680 6.796 . 0 0 "[ . 1]" 1
291 1 38 SER H 1 39 ILE H 4.100 . 4.400 4.443 4.403 4.471 0.071 2 0 "[ . 1]" 1
292 1 38 SER HA 1 39 ILE H 2.800 . 3.100 2.295 2.246 2.345 . 0 0 "[ . 1]" 1
293 1 38 SER QB 1 39 ILE H 3.800 . 5.100 3.386 2.791 3.696 . 0 0 "[ . 1]" 1
294 1 39 ILE H 1 40 CYS H 4.200 . 4.500 4.499 4.449 4.552 0.052 1 0 "[ . 1]" 1
295 1 39 ILE HA 1 40 CYS H 2.900 . 3.200 2.182 2.170 2.201 . 0 0 "[ . 1]" 1
296 1 39 ILE QG 1 40 CYS H 3.800 . 5.100 3.823 2.849 4.299 . 0 0 "[ . 1]" 1
297 1 39 ILE MG 1 40 CYS H 4.300 . 5.600 3.279 2.594 4.086 . 0 0 "[ . 1]" 1
298 1 40 CYS HA 1 64 CYS QB 3.100 . 4.400 3.352 2.515 4.668 0.268 5 0 "[ . 1]" 1
299 1 40 CYS QB 1 41 GLU H 3.600 . 4.700 3.257 2.801 3.596 . 0 0 "[ . 1]" 1
300 1 40 CYS QB 1 42 LYS H 3.600 . 4.900 3.090 2.530 3.948 . 0 0 "[ . 1]" 1
301 1 40 CYS QB 1 42 LYS QB 3.900 . 5.900 4.465 3.948 4.989 . 0 0 "[ . 1]" 1
302 1 40 CYS QB 1 42 LYS QD 3.700 . 6.000 5.976 5.822 6.091 0.091 6 0 "[ . 1]" 1
303 1 40 CYS QB 1 42 LYS QG 3.700 . 6.000 5.468 4.955 5.952 . 0 0 "[ . 1]" 1
304 1 40 CYS QB 1 45 GLU H 3.900 . 5.200 4.448 3.968 4.904 . 0 0 "[ . 1]" 1
305 1 40 CYS QB 1 45 GLU QB 4.000 . 6.300 2.610 1.993 3.340 . 0 0 "[ . 1]" 1
306 1 40 CYS QB 1 64 CYS QB 2.800 . 5.100 2.965 1.902 3.908 . 0 0 "[ . 1]" 1
307 1 41 GLU H 1 42 LYS H 3.300 . 3.600 2.933 2.700 3.576 . 0 0 "[ . 1]" 1
308 1 41 GLU H 1 42 LYS QG 4.100 . 5.400 4.942 4.319 5.407 0.007 10 0 "[ . 1]" 1
309 1 41 GLU H 1 45 GLU QB 4.200 . 5.500 4.489 4.006 5.036 . 0 0 "[ . 1]" 1
310 1 41 GLU HA 1 42 LYS H 3.700 . 4.000 3.538 3.488 3.587 . 0 0 "[ . 1]" 1
311 1 41 GLU HA 1 42 LYS QE 5.000 . 6.300 5.735 5.105 6.304 0.004 4 0 "[ . 1]" 1
312 1 41 GLU QB 1 42 LYS QE 5.000 . 7.300 4.067 3.254 4.879 . 0 0 "[ . 1]" 1
313 1 41 GLU QB 1 42 LYS QG 3.700 . 5.600 2.936 2.107 3.389 . 0 0 "[ . 1]" 1
314 1 41 GLU QG 1 42 LYS QD 4.000 . 6.300 4.331 2.248 6.050 . 0 0 "[ . 1]" 1
315 1 41 GLU QG 1 42 LYS QG 3.700 . 6.000 3.369 1.938 4.807 . 0 0 "[ . 1]" 1
316 1 42 LYS H 1 45 GLU QB 3.400 . 4.700 3.139 2.674 3.746 . 0 0 "[ . 1]" 1
317 1 42 LYS H 1 45 GLU QG 4.200 . 5.500 3.451 2.969 3.963 . 0 0 "[ . 1]" 1
318 1 42 LYS HA 1 43 PRO QD 2.800 . 4.100 2.096 2.006 2.202 . 0 0 "[ . 1]" 1
319 1 42 LYS HA 1 43 PRO QG 3.800 . 5.100 4.002 3.909 4.104 . 0 0 "[ . 1]" 1
320 1 42 LYS QB 1 45 GLU H 3.900 . 5.200 2.749 2.648 2.957 . 0 0 "[ . 1]" 1
321 1 42 LYS QB 1 45 GLU QG 3.700 . 6.000 1.991 1.847 2.243 . 0 0 "[ . 1]" 1
322 1 42 LYS QB 1 69 LEU QD 6.000 . 9.000 7.430 6.438 8.555 . 0 0 "[ . 1]" 1
323 1 42 LYS QD 1 44 GLN QG 2.800 . 5.100 4.192 3.085 5.165 0.065 6 0 "[ . 1]" 1
324 1 42 LYS QD 1 45 GLU QG 3.700 . 6.000 3.641 2.650 5.074 . 0 0 "[ . 1]" 1
325 1 42 LYS QE 1 45 GLU QG 5.000 . 7.300 4.977 4.499 5.668 . 0 0 "[ . 1]" 1
326 1 42 LYS QG 1 43 PRO QD 3.800 . 6.100 3.278 2.530 4.063 . 0 0 "[ . 1]" 1
327 1 42 LYS QG 1 43 PRO QG 3.700 . 6.000 4.944 4.278 5.723 . 0 0 "[ . 1]" 1
328 1 43 PRO QD 1 44 GLN H 3.500 . 4.800 2.598 2.483 2.755 . 0 0 "[ . 1]" 1
329 1 44 GLN H 1 45 GLU H 3.300 . 3.600 2.612 2.568 2.648 . 0 0 "[ . 1]" 1
330 1 44 GLN HA 1 45 GLU H 3.200 . 3.500 3.535 3.519 3.551 0.051 6 0 "[ . 1]" 1
331 1 44 GLN QB 1 45 GLU H 3.300 . 4.600 3.139 2.582 3.526 . 0 0 "[ . 1]" 1
332 1 44 GLN QB 1 67 PRO QD 3.000 . 5.300 4.174 3.596 4.684 . 0 0 "[ . 1]" 1
333 1 44 GLN QG 1 45 GLU H 4.200 . 5.500 2.731 2.013 3.845 . 0 0 "[ . 1]" 1
334 1 44 GLN QG 1 45 GLU HA 2.900 . 4.200 3.409 3.114 3.892 . 0 0 "[ . 1]" 1
335 1 44 GLN QG 1 66 ASP QB 3.200 . 5.500 3.538 3.011 4.227 . 0 0 "[ . 1]" 1
336 1 45 GLU H 1 66 ASP HA 4.200 . 4.500 4.488 4.295 4.595 0.095 3 0 "[ . 1]" 1
337 1 45 GLU HA 1 46 VAL H 2.700 . 3.000 2.266 2.225 2.297 . 0 0 "[ . 1]" 1
338 1 45 GLU HA 1 66 ASP H 3.600 . 3.900 3.921 3.799 3.981 0.081 3 0 "[ . 1]" 1
339 1 45 GLU HA 1 66 ASP HA 3.200 . 3.500 2.021 1.888 2.352 . 0 0 "[ . 1]" 1
340 1 45 GLU HA 1 66 ASP QB 4.000 . 5.300 3.463 2.849 3.868 . 0 0 "[ . 1]" 1
341 1 45 GLU QB 1 46 VAL H 3.200 . 4.500 2.942 2.763 3.061 . 0 0 "[ . 1]" 1
342 1 45 GLU QB 1 64 CYS HA 3.600 . 4.900 4.124 3.742 4.391 . 0 0 "[ . 1]" 1
343 1 45 GLU QB 1 64 CYS QB 3.800 . 4.900 2.907 2.603 3.586 . 0 0 "[ . 1]" 1
344 1 45 GLU QB 1 65 HIS H 4.000 . 5.300 3.208 2.414 3.650 . 0 0 "[ . 1]" 1
345 1 45 GLU QG 1 64 CYS QB 2.700 . 5.000 4.676 4.243 5.149 0.149 8 0 "[ . 1]" 1
346 1 45 GLU QG 1 66 ASP H 3.300 . 4.200 3.083 2.519 3.461 . 0 0 "[ . 1]" 1
347 1 45 GLU QG 1 66 ASP HA 3.900 . 5.200 3.019 2.619 3.385 . 0 0 "[ . 1]" 1
348 1 46 VAL H 1 64 CYS QB 3.600 . 4.900 4.545 3.946 5.002 0.102 2 0 "[ . 1]" 1
349 1 46 VAL H 1 65 HIS H 3.400 . 3.700 2.973 2.585 3.379 . 0 0 "[ . 1]" 1
350 1 46 VAL H 1 66 ASP HA 3.200 . 3.500 3.099 2.673 3.526 0.026 3 0 "[ . 1]" 1
351 1 46 VAL H 1 67 PRO QD 2.700 . 4.000 2.774 2.381 3.092 . 0 0 "[ . 1]" 1
352 1 46 VAL H 1 67 PRO QG 3.500 . 4.800 4.442 4.033 4.857 0.057 6 0 "[ . 1]" 1
353 1 46 VAL HA 1 47 CYS H 2.900 . 3.200 2.725 2.616 2.812 . 0 0 "[ . 1]" 1
354 1 46 VAL HA 1 102 SER HA 2.800 . 3.100 3.150 3.097 3.192 0.092 2 0 "[ . 1]" 1
355 1 46 VAL HB 1 47 CYS H 2.800 . 3.100 2.117 1.969 2.403 . 0 0 "[ . 1]" 1
356 1 46 VAL HB 1 79 ALA MB 5.900 . 7.200 2.602 1.935 3.335 . 0 0 "[ . 1]" 1
357 1 46 VAL HB 1 101 CYS H 3.400 . 3.700 3.613 3.241 3.828 0.128 9 0 "[ . 1]" 1
358 1 46 VAL HB 1 102 SER HA 2.900 . 3.200 2.957 2.472 3.265 0.065 8 0 "[ . 1]" 1
359 1 46 VAL HB 1 102 SER QB 2.900 . 4.200 3.475 3.130 3.936 . 0 0 "[ . 1]" 1
360 1 46 VAL QG 1 47 CYS H 4.200 . 6.200 2.915 2.703 3.097 . 0 0 "[ . 1]" 1
361 1 46 VAL QG 1 48 VAL QG 4.700 . 8.400 2.297 2.174 2.402 . 0 0 "[ . 1]" 1
362 1 46 VAL QG 1 65 HIS H 4.900 . 6.900 2.930 2.663 3.341 . 0 0 "[ . 1]" 1
363 1 46 VAL QG 1 67 PRO HA 5.300 . 7.300 3.612 3.147 4.276 . 0 0 "[ . 1]" 1
364 1 46 VAL QG 1 67 PRO QB 4.800 . 7.800 2.624 2.288 3.252 . 0 0 "[ . 1]" 1
365 1 46 VAL QG 1 67 PRO QD 4.800 . 7.700 1.918 1.799 2.210 0.001 9 0 "[ . 1]" 1
366 1 46 VAL QG 1 67 PRO QG 4.600 . 7.600 2.102 1.831 2.723 . 0 0 "[ . 1]" 1
367 1 46 VAL QG 1 76 LEU QD 4.800 . 8.500 3.422 2.550 3.989 . 0 0 "[ . 1]" 1
368 1 46 VAL QG 1 79 ALA H 5.200 . 7.200 4.176 3.838 4.367 . 0 0 "[ . 1]" 1
369 1 46 VAL QG 1 79 ALA HA 4.400 . 6.200 3.293 2.914 3.574 . 0 0 "[ . 1]" 1
370 1 46 VAL QG 1 79 ALA MB 4.000 . 7.000 1.803 1.716 1.952 0.084 9 0 "[ . 1]" 1
371 1 46 VAL QG 1 80 ALA MB 4.900 . 7.900 4.618 4.091 5.384 . 0 0 "[ . 1]" 1
372 1 46 VAL QG 1 100 SER HA 5.300 . 7.300 3.922 3.555 4.154 . 0 0 "[ . 1]" 1
373 1 46 VAL QG 1 100 SER QB 4.500 . 7.500 2.889 1.950 3.749 . 0 0 "[ . 1]" 1
374 1 46 VAL QG 1 101 CYS H 4.200 . 6.200 3.658 3.378 3.932 . 0 0 "[ . 1]" 1
375 1 46 VAL QG 1 102 SER HA 4.500 . 6.500 2.894 2.510 3.237 . 0 0 "[ . 1]" 1
376 1 46 VAL QG 1 102 SER QB 4.500 . 7.400 2.406 1.923 2.750 . 0 0 "[ . 1]" 1
377 1 47 CYS H 1 101 CYS H 3.400 . 3.700 3.075 2.802 3.312 . 0 0 "[ . 1]" 1
378 1 47 CYS H 1 102 SER HA 3.500 . 3.800 3.237 2.971 3.674 . 0 0 "[ . 1]" 1
379 1 47 CYS HA 1 48 VAL H 2.700 . 3.000 2.220 2.199 2.240 . 0 0 "[ . 1]" 1
380 1 47 CYS HA 1 48 VAL QG 4.200 . 6.200 3.509 3.358 3.694 . 0 0 "[ . 1]" 1
381 1 47 CYS HA 1 64 CYS HA 3.100 . 3.400 2.396 1.991 2.747 . 0 0 "[ . 1]" 1
382 1 47 CYS QB 1 48 VAL H 3.300 . 4.600 3.578 3.171 3.932 . 0 0 "[ . 1]" 1
383 1 47 CYS QB 1 101 CYS H 3.700 . 5.000 3.307 2.791 4.011 . 0 0 "[ . 1]" 1
384 1 47 CYS QB 1 107 ASN H 3.400 . 4.700 4.434 4.002 4.775 0.075 3 0 "[ . 1]" 1
385 1 47 CYS QB 1 107 ASN QB 3.800 . 6.100 3.611 2.263 4.322 . 0 0 "[ . 1]" 1
386 1 48 VAL H 1 63 VAL H 3.300 . 3.600 3.467 3.185 3.658 0.058 2 0 "[ . 1]" 1
387 1 48 VAL H 1 63 VAL QG 4.400 . 6.400 3.884 3.605 4.061 . 0 0 "[ . 1]" 1
388 1 48 VAL H 1 64 CYS HA 2.800 . 3.100 3.142 2.922 3.304 0.204 10 0 "[ . 1]" 1
389 1 48 VAL HA 1 49 ALA H 2.600 . 2.900 2.214 2.193 2.237 . 0 0 "[ . 1]" 1
390 1 48 VAL HA 1 76 LEU QD 6.000 . 8.000 5.206 3.997 7.035 . 0 0 "[ . 1]" 1
391 1 48 VAL HA 1 100 SER HA 2.500 . 2.800 2.232 1.995 2.559 . 0 0 "[ . 1]" 1
392 1 48 VAL HA 1 100 SER QB 3.500 . 4.800 3.793 3.184 4.513 . 0 0 "[ . 1]" 1
393 1 48 VAL HA 1 101 CYS H 3.300 . 3.600 3.536 3.192 3.638 0.038 4 0 "[ . 1]" 1
394 1 48 VAL HB 1 63 VAL H 3.500 . 3.800 3.827 3.711 3.886 0.086 5 0 "[ . 1]" 1
395 1 48 VAL HB 1 63 VAL QG 4.000 . 6.000 3.327 3.051 3.581 . 0 0 "[ . 1]" 1
396 1 48 VAL HB 1 76 LEU QD 5.800 . 7.800 4.936 3.804 6.800 . 0 0 "[ . 1]" 1
397 1 48 VAL QG 1 49 ALA H 3.600 . 5.600 2.577 2.345 2.847 . 0 0 "[ . 1]" 1
398 1 48 VAL QG 1 49 ALA HA 6.000 . 8.000 3.837 3.748 3.930 . 0 0 "[ . 1]" 1
399 1 48 VAL QG 1 50 VAL QG 3.800 . 7.500 2.704 2.287 3.978 . 0 0 "[ . 1]" 1
400 1 48 VAL QG 1 63 VAL H 4.700 . 6.700 4.274 4.134 4.370 . 0 0 "[ . 1]" 1
401 1 48 VAL QG 1 63 VAL QG 4.500 . 8.200 3.641 3.404 3.822 . 0 0 "[ . 1]" 1
402 1 48 VAL QG 1 64 CYS HA 6.000 . 8.000 3.820 3.326 4.332 . 0 0 "[ . 1]" 1
403 1 48 VAL QG 1 65 HIS H 5.200 . 7.200 3.182 2.558 3.518 . 0 0 "[ . 1]" 1
404 1 48 VAL QG 1 65 HIS HA 4.500 . 6.500 4.932 4.135 5.760 . 0 0 "[ . 1]" 1
405 1 48 VAL QG 1 65 HIS QB 4.900 . 7.400 3.029 1.783 4.775 0.017 2 0 "[ . 1]" 1
406 1 48 VAL QG 1 65 HIS HD2 4.400 . 4.800 3.599 2.642 4.526 . 0 0 "[ . 1]" 1
407 1 48 VAL QG 1 71 TYR QD 4.800 . 5.800 4.180 3.305 4.934 . 0 0 "[ . 1]" 1
408 1 48 VAL QG 1 71 TYR QE 5.000 . 5.800 4.221 3.243 5.032 . 0 0 "[ . 1]" 1
409 1 48 VAL QG 1 76 LEU QD 4.200 . 7.900 2.716 1.815 4.143 . 0 0 "[ . 1]" 1
410 1 48 VAL QG 1 98 MET ME 5.300 . 8.300 3.719 3.150 4.169 . 0 0 "[ . 1]" 1
411 1 48 VAL QG 1 100 SER HA 4.600 . 6.600 2.367 1.992 2.850 . 0 0 "[ . 1]" 1
412 1 48 VAL QG 1 100 SER QB 4.500 . 7.500 2.374 1.893 2.715 . 0 0 "[ . 1]" 1
413 1 48 VAL QG 1 101 CYS H 4.500 . 6.500 3.370 2.898 3.916 . 0 0 "[ . 1]" 1
414 1 49 ALA HA 1 50 VAL H 2.600 . 2.900 2.303 2.284 2.329 . 0 0 "[ . 1]" 1
415 1 49 ALA HA 1 50 VAL QG 5.800 . 7.800 3.260 3.050 3.617 . 0 0 "[ . 1]" 1
416 1 49 ALA HA 1 62 THR HA 2.600 . 2.900 2.484 2.146 2.843 . 0 0 "[ . 1]" 1
417 1 49 ALA HA 1 62 THR MG 4.300 . 5.600 2.777 2.233 3.424 . 0 0 "[ . 1]" 1
418 1 49 ALA HA 1 63 VAL H 3.800 . 4.100 3.912 3.694 4.175 0.075 10 0 "[ . 1]" 1
419 1 49 ALA MB 1 50 VAL H 4.000 . 5.300 3.036 2.883 3.105 . 0 0 "[ . 1]" 1
420 1 49 ALA MB 1 60 LEU QD 4.100 . 7.100 2.998 2.721 3.268 . 0 0 "[ . 1]" 1
421 1 49 ALA MB 1 62 THR HA 4.600 . 5.900 3.744 3.333 4.115 . 0 0 "[ . 1]" 1
422 1 49 ALA MB 1 62 THR MG 4.100 . 6.400 2.606 1.863 3.160 . 0 0 "[ . 1]" 1
423 1 49 ALA MB 1 107 ASN HA 4.300 . 5.600 3.138 2.439 3.877 . 0 0 "[ . 1]" 1
424 1 49 ALA MB 1 107 ASN QB 4.500 . 6.800 2.545 1.783 3.749 0.017 8 0 "[ . 1]" 1
425 1 49 ALA MB 1 110 ILE HB 4.100 . 5.400 4.666 4.004 5.610 0.210 10 0 "[ . 1]" 1
426 1 49 ALA MB 1 110 ILE MD 4.200 . 6.500 3.533 1.955 5.612 . 0 0 "[ . 1]" 1
427 1 49 ALA MB 1 110 ILE QG 4.300 . 6.600 4.589 3.405 5.655 . 0 0 "[ . 1]" 1
428 1 49 ALA MB 1 110 ILE MG 4.300 . 6.600 4.426 1.999 5.679 . 0 0 "[ . 1]" 1
429 1 50 VAL H 1 60 LEU QD 4.200 . 6.200 3.074 2.780 3.313 . 0 0 "[ . 1]" 1
430 1 50 VAL H 1 61 GLU H 3.100 . 3.400 2.853 2.463 3.271 . 0 0 "[ . 1]" 1
431 1 50 VAL H 1 61 GLU QB 3.300 . 4.600 3.615 3.172 3.960 . 0 0 "[ . 1]" 1
432 1 50 VAL HA 1 51 TRP H 2.500 . 2.800 2.192 2.162 2.225 . 0 0 "[ . 1]" 1
433 1 50 VAL HA 1 98 MET ME 4.800 . 6.100 5.973 5.516 6.170 0.070 9 0 "[ . 1]" 1
434 1 50 VAL HB 1 61 GLU QB 3.400 . 4.700 3.577 1.882 4.338 . 0 0 "[ . 1]" 1
435 1 50 VAL QG 1 51 TRP H 3.800 . 5.800 3.025 2.187 3.559 . 0 0 "[ . 1]" 1
436 1 50 VAL QG 1 51 TRP HA 5.000 . 7.000 3.768 3.376 4.066 . 0 0 "[ . 1]" 1
437 1 50 VAL QG 1 51 TRP QB 4.900 . 7.900 4.264 3.792 4.534 . 0 0 "[ . 1]" 1
438 1 50 VAL QG 1 52 ARG H 5.000 . 7.000 4.446 3.928 5.069 . 0 0 "[ . 1]" 1
439 1 50 VAL QG 1 52 ARG QB 5.300 . 8.200 3.889 3.115 4.908 . 0 0 "[ . 1]" 1
440 1 50 VAL QG 1 52 ARG QD 3.600 . 6.600 3.459 2.103 4.671 . 0 0 "[ . 1]" 1
441 1 50 VAL QG 1 52 ARG QG 4.300 . 7.300 3.607 2.110 4.401 . 0 0 "[ . 1]" 1
442 1 50 VAL QG 1 61 GLU H 4.600 . 6.300 2.526 1.913 3.656 . 0 0 "[ . 1]" 1
443 1 50 VAL QG 1 61 GLU QB 4.100 . 7.000 2.158 1.811 2.887 . 0 0 "[ . 1]" 1
444 1 50 VAL QG 1 61 GLU QG 4.500 . 7.500 3.494 3.169 3.884 . 0 0 "[ . 1]" 1
445 1 50 VAL QG 1 71 TYR QD 4.900 . 5.800 4.578 3.778 5.617 . 0 0 "[ . 1]" 1
446 1 50 VAL QG 1 71 TYR QE 4.300 . 5.800 3.478 2.754 5.477 . 0 0 "[ . 1]" 1
447 1 50 VAL QG 1 72 HIS HD2 4.600 . 4.800 4.573 3.927 4.820 0.020 9 0 "[ . 1]" 1
448 1 50 VAL QG 1 89 LYS QD 4.200 . 7.000 6.432 5.487 7.062 0.062 3 0 "[ . 1]" 1
449 1 50 VAL QG 1 96 PHE QD 4.400 . 5.800 3.503 2.434 4.060 . 0 0 "[ . 1]" 1
450 1 50 VAL QG 1 97 PHE H 4.600 . 6.600 3.976 2.802 4.871 . 0 0 "[ . 1]" 1
451 1 51 TRP H 1 97 PHE H 3.400 . 3.700 2.830 2.405 3.117 . 0 0 "[ . 1]" 1
452 1 51 TRP H 1 97 PHE QB 2.800 . 4.100 2.363 1.922 2.971 . 0 0 "[ . 1]" 1
453 1 51 TRP HA 1 52 ARG H 2.700 . 3.000 2.301 2.272 2.329 . 0 0 "[ . 1]" 1
454 1 51 TRP HA 1 52 ARG QG 3.400 . 4.700 3.573 3.311 3.930 . 0 0 "[ . 1]" 1
455 1 51 TRP HA 1 60 LEU HA 1.900 . 2.200 2.298 2.181 2.384 0.184 10 0 "[ . 1]" 1
456 1 51 TRP HA 1 60 LEU QD 3.800 . 5.800 2.522 1.986 4.002 . 0 0 "[ . 1]" 1
457 1 51 TRP HA 1 97 PHE QB 3.100 . 4.400 4.424 4.114 4.633 0.233 2 0 "[ . 1]" 1
458 1 51 TRP QB 1 52 ARG H 3.600 . 4.900 3.874 3.820 3.903 . 0 0 "[ . 1]" 1
459 1 51 TRP QB 1 60 LEU QD 4.900 . 7.900 2.139 1.867 2.873 . 0 0 "[ . 1]" 1
460 1 51 TRP QB 1 97 PHE H 3.800 . 5.100 3.530 2.556 4.027 . 0 0 "[ . 1]" 1
461 1 51 TRP HD1 1 58 ILE MG 5.300 . 6.600 3.236 2.973 3.626 . 0 0 "[ . 1]" 1
462 1 51 TRP HD1 1 60 LEU QD 4.600 . 6.600 2.510 2.066 2.723 . 0 0 "[ . 1]" 1
463 1 51 TRP HE1 1 58 ILE MD 4.200 . 5.500 3.483 2.831 4.926 . 0 0 "[ . 1]" 1
464 1 51 TRP HE1 1 58 ILE MG 3.600 . 4.900 1.907 1.797 2.301 0.003 1 0 "[ . 1]" 1
465 1 51 TRP HE3 1 53 LYS H 3.800 . 4.100 4.064 3.941 4.261 0.161 2 0 "[ . 1]" 1
466 1 51 TRP HE3 1 53 LYS QB 3.200 . 4.500 4.512 4.131 4.638 0.138 9 0 "[ . 1]" 1
467 1 51 TRP HE3 1 95 THR MG 4.100 . 5.400 4.374 3.708 4.931 . 0 0 "[ . 1]" 1
468 1 51 TRP HE3 1 97 PHE QB 3.500 . 4.800 2.661 1.885 3.205 . 0 0 "[ . 1]" 1
469 1 51 TRP HE3 1 97 PHE QD 3.500 . 4.800 2.422 1.920 3.392 . 0 0 "[ . 1]" 1
470 1 51 TRP HH2 1 53 LYS QB 3.400 . 4.700 2.182 1.998 2.283 . 0 0 "[ . 1]" 1
471 1 51 TRP HH2 1 53 LYS QD 3.000 . 4.300 2.466 1.880 2.711 . 0 0 "[ . 1]" 1
472 1 51 TRP HH2 1 53 LYS QE 3.700 . 5.000 4.374 3.102 4.886 . 0 0 "[ . 1]" 1
473 1 51 TRP HH2 1 58 ILE MD 5.800 . 7.100 4.513 3.244 5.291 . 0 0 "[ . 1]" 1
474 1 51 TRP HH2 1 95 THR HB 3.700 . 4.000 4.106 4.048 4.200 0.200 8 0 "[ . 1]" 1
475 1 51 TRP HZ2 1 53 LYS QD 3.800 . 5.100 3.117 2.111 3.917 . 0 0 "[ . 1]" 1
476 1 51 TRP HZ2 1 58 ILE MD . . 4.100 2.887 2.384 4.116 0.016 5 0 "[ . 1]" 1
477 1 51 TRP HZ2 1 58 ILE QG 3.000 . 4.300 3.149 2.415 3.650 . 0 0 "[ . 1]" 1
478 1 51 TRP HZ2 1 58 ILE MG . . 4.100 2.521 2.300 2.727 . 0 0 "[ . 1]" 1
479 1 51 TRP HZ3 1 53 LYS H 4.100 . 4.400 3.330 3.085 3.729 . 0 0 "[ . 1]" 1
480 1 51 TRP HZ3 1 53 LYS QB 3.200 . 4.500 3.189 2.866 3.424 . 0 0 "[ . 1]" 1
481 1 51 TRP HZ3 1 97 PHE QB 3.900 . 5.200 4.574 3.358 5.279 0.079 5 0 "[ . 1]" 1
482 1 51 TRP HZ3 1 97 PHE QD 2.400 . 3.600 3.226 2.675 3.695 0.095 3 0 "[ . 1]" 1
483 1 52 ARG H 1 58 ILE HA 3.800 . 4.100 4.310 4.238 4.442 0.342 4 0 "[ . 1]" 1
484 1 52 ARG H 1 58 ILE MG 4.900 . 6.200 3.650 3.418 3.938 . 0 0 "[ . 1]" 1
485 1 52 ARG H 1 59 THR H 3.200 . 3.500 2.631 2.538 2.731 . 0 0 "[ . 1]" 1
486 1 52 ARG H 1 60 LEU QD 4.700 . 6.700 4.314 3.760 5.426 . 0 0 "[ . 1]" 1
487 1 52 ARG HA 1 53 LYS H 2.800 . 3.100 2.215 2.176 2.264 . 0 0 "[ . 1]" 1
488 1 52 ARG HA 1 96 PHE HA 3.000 . 3.300 2.606 2.200 3.117 . 0 0 "[ . 1]" 1
489 1 52 ARG HA 1 97 PHE H 3.500 . 3.800 3.616 3.275 3.910 0.110 2 0 "[ . 1]" 1
490 1 52 ARG QB 1 53 LYS H 3.400 . 4.700 3.272 2.940 3.365 . 0 0 "[ . 1]" 1
491 1 52 ARG QB 1 54 ASN H 4.300 . 5.600 5.148 4.676 5.653 0.053 6 0 "[ . 1]" 1
492 1 52 ARG QB 1 96 PHE HA 3.000 . 4.300 3.175 2.552 3.667 . 0 0 "[ . 1]" 1
493 1 52 ARG QB 1 96 PHE QB 2.600 . 4.900 3.531 2.137 4.608 . 0 0 "[ . 1]" 1
494 1 52 ARG QB 1 96 PHE QD 4.100 . 5.500 3.132 1.806 4.252 . 0 0 "[ . 1]" 1
495 1 52 ARG QB 1 97 PHE H 3.300 . 4.600 4.183 3.534 4.764 0.164 1 0 "[ . 1]" 1
496 1 52 ARG QG 1 59 THR MG 6.000 . 8.300 3.730 3.108 5.358 . 0 0 "[ . 1]" 1
497 1 52 ARG QG 1 61 GLU QB 2.600 . 4.900 4.899 4.699 4.980 0.080 6 0 "[ . 1]" 1
498 1 53 LYS H 1 95 THR H 3.600 . 3.900 3.597 2.915 3.979 0.079 10 0 "[ . 1]" 1
499 1 53 LYS H 1 95 THR HB 3.700 . 4.000 3.096 2.511 3.845 . 0 0 "[ . 1]" 1
500 1 53 LYS HA 1 54 ASN H 2.800 . 3.100 2.272 2.208 2.304 . 0 0 "[ . 1]" 1
501 1 53 LYS HA 1 57 ASN H 4.700 . 5.000 4.547 3.270 5.141 0.141 3 0 "[ . 1]" 1
502 1 53 LYS HA 1 58 ILE HA 1.800 . 2.100 2.151 1.987 2.273 0.173 7 0 "[ . 1]" 1
503 1 53 LYS HA 1 58 ILE QG 3.800 . 5.100 2.944 2.559 3.812 . 0 0 "[ . 1]" 1
504 1 53 LYS QB 1 54 ASN H 3.400 . 4.700 3.839 3.585 3.967 . 0 0 "[ . 1]" 1
505 1 53 LYS QB 1 57 ASN H 5.000 . 6.300 5.500 4.119 6.348 0.048 6 0 "[ . 1]" 1
506 1 53 LYS QB 1 58 ILE HA 2.900 . 4.200 3.561 3.094 3.788 . 0 0 "[ . 1]" 1
507 1 53 LYS QB 1 58 ILE QG 2.300 . 4.600 2.851 2.133 3.909 . 0 0 "[ . 1]" 1
508 1 53 LYS QB 1 58 ILE MG 5.200 . 7.500 3.180 2.405 3.910 . 0 0 "[ . 1]" 1
509 1 53 LYS QB 1 95 THR H 3.600 . 4.900 4.177 2.907 4.974 0.074 2 0 "[ . 1]" 1
510 1 53 LYS QB 1 95 THR HB 3.600 . 4.900 3.124 2.076 4.354 . 0 0 "[ . 1]" 1
511 1 53 LYS QD 1 58 ILE HA 4.000 . 5.300 5.080 4.581 5.459 0.159 8 0 "[ . 1]" 1
512 1 53 LYS QD 1 58 ILE MD 4.600 . 6.900 3.334 2.391 4.502 . 0 0 "[ . 1]" 1
513 1 53 LYS QD 1 58 ILE QG 2.800 . 5.100 3.283 2.303 4.149 . 0 0 "[ . 1]" 1
514 1 53 LYS QD 1 95 THR HB 4.000 . 5.300 4.375 3.067 5.050 . 0 0 "[ . 1]" 1
515 1 53 LYS QE 1 58 ILE MD 4.400 . 6.700 3.614 2.537 6.341 . 0 0 "[ . 1]" 1
516 1 53 LYS QE 1 58 ILE QG 4.000 . 6.300 3.760 2.881 5.935 . 0 0 "[ . 1]" 1
517 1 54 ASN H 1 57 ASN H 3.400 . 3.700 3.153 2.593 3.716 0.016 3 0 "[ . 1]" 1
518 1 54 ASN H 1 58 ILE QG 4.300 . 5.600 4.145 3.406 4.661 . 0 0 "[ . 1]" 1
519 1 54 ASN HA 1 55 ASP QB 3.200 2.400 4.500 4.044 3.857 4.515 0.015 4 0 "[ . 1]" 1
520 1 54 ASN QB 1 55 ASP H 3.000 . 4.300 3.808 1.945 4.075 . 0 0 "[ . 1]" 1
521 1 54 ASN QB 1 56 GLU H 3.300 . 4.600 3.927 3.001 4.810 0.210 5 0 "[ . 1]" 1
522 1 55 ASP H 1 56 GLU H 3.500 . 3.800 3.584 1.834 4.062 0.262 9 0 "[ . 1]" 1
523 1 55 ASP H 1 56 GLU QB 4.200 . 5.500 5.531 4.437 5.794 0.294 2 0 "[ . 1]" 1
524 1 55 ASP HA 1 56 GLU H 3.100 . 3.400 3.460 2.800 3.563 0.163 3 0 "[ . 1]" 1
525 1 56 GLU H 1 57 ASN H 3.100 . 3.400 2.178 1.801 2.709 . 0 0 "[ . 1]" 1
526 1 56 GLU HA 1 57 ASN H 3.600 . 3.900 3.281 2.738 3.580 . 0 0 "[ . 1]" 1
527 1 56 GLU QB 1 57 ASN H 3.800 . 5.100 3.388 2.562 3.920 . 0 0 "[ . 1]" 1
528 1 56 GLU QG 1 57 ASN H 3.800 . 5.100 3.917 2.431 4.482 . 0 0 "[ . 1]" 1
529 1 57 ASN HA 1 58 ILE H 3.800 . 4.100 2.201 2.171 2.228 . 0 0 "[ . 1]" 1
530 1 57 ASN HA 1 58 ILE MD 5.000 . 6.300 4.605 3.120 5.040 . 0 0 "[ . 1]" 1
531 1 57 ASN HA 1 58 ILE MG 5.100 . 6.400 5.449 5.397 5.494 . 0 0 "[ . 1]" 1
532 1 57 ASN QB 1 59 THR MG 5.100 . 7.400 4.375 2.946 5.435 . 0 0 "[ . 1]" 1
533 1 58 ILE H 1 59 THR H 4.700 . 5.000 4.472 4.405 4.570 . 0 0 "[ . 1]" 1
534 1 58 ILE H 1 59 THR MG 6.500 . 7.800 4.683 3.419 5.943 . 0 0 "[ . 1]" 1
535 1 58 ILE HA 1 59 THR H 2.800 . 3.100 2.263 2.227 2.296 . 0 0 "[ . 1]" 1
536 1 58 ILE HA 1 59 THR MG 6.000 . 7.300 4.278 3.334 5.421 . 0 0 "[ . 1]" 1
537 1 58 ILE HB 1 59 THR H 4.000 . 4.300 4.147 4.096 4.198 . 0 0 "[ . 1]" 1
538 1 58 ILE QG 1 59 THR H 3.900 . 5.200 4.330 4.196 4.835 . 0 0 "[ . 1]" 1
539 1 58 ILE QG 1 59 THR MG 5.100 . 7.400 5.632 4.747 6.620 . 0 0 "[ . 1]" 1
540 1 58 ILE MG 1 59 THR H 4.100 . 5.400 2.539 2.302 2.812 . 0 0 "[ . 1]" 1
541 1 58 ILE MG 1 59 THR HA 4.800 . 6.100 3.716 3.614 3.845 . 0 0 "[ . 1]" 1
542 1 58 ILE MG 1 59 THR HB 4.700 . 6.000 5.093 4.655 5.570 . 0 0 "[ . 1]" 1
543 1 58 ILE MG 1 59 THR MG 5.100 . 7.400 4.463 4.037 4.973 . 0 0 "[ . 1]" 1
544 1 58 ILE MG 1 60 LEU QD 4.700 . 7.700 4.332 4.098 4.624 . 0 0 "[ . 1]" 1
545 1 58 ILE MG 1 110 ILE MD 4.000 . 6.300 6.264 5.799 6.510 0.210 10 0 "[ . 1]" 1
546 1 59 THR HA 1 60 LEU H 2.800 . 3.100 2.229 2.201 2.278 . 0 0 "[ . 1]" 1
547 1 60 LEU HA 1 61 GLU H 2.700 . 3.000 2.244 2.212 2.275 . 0 0 "[ . 1]" 1
548 1 60 LEU QD 1 61 GLU H 4.000 . 6.000 2.904 2.472 3.219 . 0 0 "[ . 1]" 1
549 1 60 LEU QD 1 61 GLU QB 4.600 . 7.600 4.377 3.883 4.545 . 0 0 "[ . 1]" 1
550 1 60 LEU QD 1 61 GLU QG 4.200 . 7.200 5.246 4.440 5.511 . 0 0 "[ . 1]" 1
551 1 60 LEU QD 1 62 THR MG 4.000 . 7.000 3.541 1.774 4.454 0.026 8 0 "[ . 1]" 1
552 1 60 LEU QD 1 110 ILE MD 4.100 . 7.100 2.930 2.322 4.018 . 0 0 "[ . 1]" 1
553 1 60 LEU QD 1 110 ILE MG 5.100 . 7.900 3.248 2.406 3.803 . 0 0 "[ . 1]" 1
554 1 60 LEU QD 1 112 PHE HZ 2.800 . 4.800 4.155 3.515 4.550 . 0 0 "[ . 1]" 1
555 1 60 LEU HG 1 61 GLU H 3.500 . 3.800 2.821 2.491 3.256 . 0 0 "[ . 1]" 1
556 1 60 LEU HG 1 62 THR MG 4.300 . 5.600 4.401 2.750 5.317 . 0 0 "[ . 1]" 1
557 1 61 GLU HA 1 62 THR H 2.800 . 3.100 2.295 2.275 2.330 . 0 0 "[ . 1]" 1
558 1 61 GLU QB 1 62 THR H 3.400 . 4.700 3.698 3.647 3.733 . 0 0 "[ . 1]" 1
559 1 61 GLU QG 1 62 THR H 3.200 . 4.500 2.507 2.413 2.600 . 0 0 "[ . 1]" 1
560 1 61 GLU QG 1 62 THR MG 5.400 . 7.700 4.784 4.149 5.128 . 0 0 "[ . 1]" 1
561 1 61 GLU QG 1 63 VAL QG 4.300 . 7.300 3.101 2.963 3.315 . 0 0 "[ . 1]" 1
562 1 62 THR H 1 63 VAL H 3.900 . 4.200 4.236 4.206 4.256 0.056 10 0 "[ . 1]" 1
563 1 62 THR H 1 63 VAL QG 4.300 . 6.300 4.285 4.204 4.439 . 0 0 "[ . 1]" 1
564 1 62 THR HA 1 63 VAL H 2.700 . 3.000 2.186 2.164 2.208 . 0 0 "[ . 1]" 1
565 1 62 THR HA 1 63 VAL QG 4.200 . 6.200 3.594 3.493 3.688 . 0 0 "[ . 1]" 1
566 1 62 THR MG 1 63 VAL H 4.500 . 5.800 3.278 2.635 4.195 . 0 0 "[ . 1]" 1
567 1 62 THR MG 1 63 VAL HB 5.500 . 6.800 5.184 4.686 5.815 . 0 0 "[ . 1]" 1
568 1 62 THR MG 1 63 VAL QG 4.800 . 7.800 4.379 4.007 4.899 . 0 0 "[ . 1]" 1
569 1 62 THR MG 1 107 ASN QB 5.300 . 7.600 2.420 1.853 3.360 . 0 0 "[ . 1]" 1
570 1 62 THR MG 1 108 ASP HA 4.200 . 5.500 5.003 4.155 5.625 0.125 6 0 "[ . 1]" 1
571 1 63 VAL QG 1 64 CYS HA 5.400 . 7.400 3.698 3.564 3.836 . 0 0 "[ . 1]" 1
572 1 63 VAL QG 1 65 HIS HA 5.500 . 7.500 4.168 3.955 4.275 . 0 0 "[ . 1]" 1
573 1 63 VAL QG 1 65 HIS QB 4.900 . 7.700 2.946 2.788 3.150 . 0 0 "[ . 1]" 1
574 1 63 VAL QG 1 71 TYR QE 4.600 . 5.800 3.769 2.993 5.227 . 0 0 "[ . 1]" 1
575 1 64 CYS HA 1 65 HIS H 3.300 . 3.600 2.255 2.168 2.354 . 0 0 "[ . 1]" 1
576 1 64 CYS QB 1 65 HIS H 4.200 . 5.500 3.323 2.844 3.900 . 0 0 "[ . 1]" 1
577 1 65 HIS H 1 66 ASP H 4.000 . 4.300 4.384 4.346 4.429 0.129 4 0 "[ . 1]" 1
578 1 65 HIS HA 1 66 ASP H 2.700 . 3.000 2.450 2.240 2.713 . 0 0 "[ . 1]" 1
579 1 65 HIS QB 1 66 ASP H 3.400 . 4.700 3.082 2.055 3.718 . 0 0 "[ . 1]" 1
580 1 65 HIS QB 1 76 LEU QD 5.300 . 8.000 4.625 3.331 6.065 . 0 0 "[ . 1]" 1
581 1 65 HIS HD2 1 66 ASP H 4.100 . 4.400 3.567 3.175 4.002 . 0 0 "[ . 1]" 1
582 1 65 HIS HD2 1 67 PRO HA 3.100 . 3.400 3.447 3.404 3.485 0.085 3 0 "[ . 1]" 1
583 1 65 HIS HD2 1 71 TYR QB 3.200 . 4.500 4.178 3.483 4.536 0.036 9 0 "[ . 1]" 1
584 1 65 HIS HD2 1 76 LEU QD 4.500 . 4.800 3.267 2.223 4.634 . 0 0 "[ . 1]" 1
585 1 65 HIS HE1 1 69 LEU QD 5.700 . 7.700 4.449 1.815 7.474 . 0 0 "[ . 1]" 1
586 1 65 HIS HE1 1 71 TYR QD 3.200 . 4.300 3.657 2.482 4.327 0.027 9 0 "[ . 1]" 1
587 1 65 HIS HE1 1 71 TYR QE 3.800 . 5.100 4.517 3.697 5.142 0.042 4 0 "[ . 1]" 1
588 1 66 ASP H 1 69 LEU QD 4.500 . 6.500 4.259 2.543 6.588 0.088 2 0 "[ . 1]" 1
589 1 66 ASP HA 1 67 PRO QB 4.200 . 5.500 4.596 4.566 4.610 . 0 0 "[ . 1]" 1
590 1 66 ASP HA 1 67 PRO QD 3.300 . 4.600 1.985 1.959 2.023 . 0 0 "[ . 1]" 1
591 1 66 ASP HA 1 67 PRO QG 3.900 . 5.200 3.892 3.858 3.924 . 0 0 "[ . 1]" 1
592 1 66 ASP QB 1 67 PRO QD 3.200 . 5.500 3.253 2.565 3.581 . 0 0 "[ . 1]" 1
593 1 66 ASP QB 1 68 LYS H 4.500 . 5.800 3.214 2.678 5.932 0.132 6 0 "[ . 1]" 1
594 1 66 ASP QB 1 69 LEU H 5.300 . 6.600 3.575 2.879 4.384 . 0 0 "[ . 1]" 1
595 1 66 ASP QB 1 69 LEU QB 2.800 . 5.100 3.814 2.600 5.271 0.171 2 0 "[ . 1]" 1
596 1 66 ASP QB 1 69 LEU QD 6.000 . 8.000 3.343 2.071 5.151 . 0 0 "[ . 1]" 1
597 1 67 PRO HA 1 68 LYS H 3.700 . 4.000 3.301 2.764 3.455 . 0 0 "[ . 1]" 1
598 1 67 PRO HA 1 69 LEU H 4.800 . 5.100 3.891 3.337 4.349 . 0 0 "[ . 1]" 1
599 1 67 PRO HA 1 76 LEU QB 3.100 . 4.400 3.171 2.153 4.477 0.077 2 0 "[ . 1]" 1
600 1 67 PRO HA 1 76 LEU QD 4.900 . 6.400 2.624 1.840 3.642 . 0 0 "[ . 1]" 1
601 1 67 PRO HA 1 79 ALA MB 5.200 . 6.500 4.147 3.344 5.646 . 0 0 "[ . 1]" 1
602 1 67 PRO QB 1 68 LYS H 4.100 . 5.000 3.502 1.773 4.009 0.027 6 0 "[ . 1]" 1
603 1 67 PRO QB 1 76 LEU QB 2.300 . 4.600 3.243 1.906 4.272 . 0 0 "[ . 1]" 1
604 1 67 PRO QB 1 76 LEU QD 4.900 . 7.200 2.919 1.749 4.005 0.051 2 0 "[ . 1]" 1
605 1 67 PRO QB 1 77 GLU HA 3.700 . 5.000 4.099 3.375 5.088 0.088 8 0 "[ . 1]" 1
606 1 67 PRO QB 1 79 ALA MB 4.800 . 7.100 2.365 1.826 3.518 . 0 0 "[ . 1]" 1
607 1 67 PRO QD 1 68 LYS H 3.100 . 4.400 3.044 2.660 4.470 0.070 6 0 "[ . 1]" 1
608 1 67 PRO QD 1 68 LYS QE 4.100 . 6.400 5.641 4.722 6.426 0.026 2 0 "[ . 1]" 1
609 1 67 PRO QD 1 79 ALA MB 5.100 . 7.400 3.615 3.190 4.179 . 0 0 "[ . 1]" 1
610 1 67 PRO QG 1 69 LEU H 5.300 . 6.600 5.358 5.063 6.158 . 0 0 "[ . 1]" 1
611 1 67 PRO QG 1 79 ALA MB 4.700 . 7.000 2.658 2.080 3.491 . 0 0 "[ . 1]" 1
612 1 68 LYS H 1 69 LEU H 3.400 . 3.700 2.634 2.264 3.707 0.007 6 0 "[ . 1]" 1
613 1 68 LYS H 1 69 LEU QD 4.900 . 6.900 4.393 2.999 5.249 . 0 0 "[ . 1]" 1
614 1 68 LYS HA 1 69 LEU H 4.400 . 4.700 3.494 3.313 3.612 . 0 0 "[ . 1]" 1
615 1 68 LYS HA 1 69 LEU QD 5.100 . 7.100 4.943 3.386 5.794 . 0 0 "[ . 1]" 1
616 1 68 LYS QB 1 69 LEU QD 4.400 . 7.400 3.726 1.952 4.721 . 0 0 "[ . 1]" 1
617 1 68 LYS QE 1 69 LEU QB 2.100 . 4.400 4.093 3.576 4.594 0.194 7 0 "[ . 1]" 1
618 1 68 LYS QE 1 69 LEU QD 6.000 . 9.000 3.556 1.815 4.500 . 0 0 "[ . 1]" 1
619 1 69 LEU H 1 70 PRO QD 5.300 . 6.600 4.399 4.309 4.433 . 0 0 "[ . 1]" 1
620 1 69 LEU HA 1 70 PRO QD 2.900 . 4.100 2.080 1.934 2.295 . 0 0 "[ . 1]" 1
621 1 69 LEU HA 1 70 PRO QG 3.700 . 5.000 3.986 3.835 4.205 . 0 0 "[ . 1]" 1
622 1 69 LEU QB 1 70 PRO QD 3.000 . 5.300 2.690 1.865 3.573 . 0 0 "[ . 1]" 1
623 1 69 LEU QD 1 70 PRO QD 4.800 . 7.800 2.391 1.755 3.287 0.045 7 0 "[ . 1]" 1
624 1 69 LEU QD 1 70 PRO QG 4.400 . 7.400 3.316 2.571 4.056 . 0 0 "[ . 1]" 1
625 1 69 LEU HG 1 70 PRO QD 3.800 . 5.100 3.281 1.930 4.367 . 0 0 "[ . 1]" 1
626 1 70 PRO HA 1 71 TYR H 2.700 . 3.000 2.272 2.164 2.524 . 0 0 "[ . 1]" 1
627 1 70 PRO HA 1 71 TYR QB 4.200 . 5.500 3.937 3.773 4.060 . 0 0 "[ . 1]" 1
628 1 70 PRO HA 1 74 PHE H 3.800 . 4.100 4.260 4.145 4.349 0.249 2 0 "[ . 1]" 1
629 1 70 PRO HA 1 75 ILE HA 2.600 . 2.900 2.359 2.180 2.497 . 0 0 "[ . 1]" 1
630 1 70 PRO HA 1 75 ILE MD 4.500 . 5.800 3.301 2.451 4.613 . 0 0 "[ . 1]" 1
631 1 70 PRO HA 1 76 LEU QD 4.200 . 6.200 4.151 2.287 5.284 . 0 0 "[ . 1]" 1
632 1 70 PRO QB 1 71 TYR H 3.300 . 4.600 3.025 2.423 3.463 . 0 0 "[ . 1]" 1
633 1 70 PRO QB 1 73 ASP H 3.500 . 4.800 3.379 2.919 4.273 . 0 0 "[ . 1]" 1
634 1 70 PRO QB 1 73 ASP HA 2.700 . 4.000 3.039 2.364 4.247 0.247 3 0 "[ . 1]" 1
635 1 70 PRO QB 1 74 PHE H 3.900 . 5.200 3.137 2.527 4.019 . 0 0 "[ . 1]" 1
636 1 70 PRO QB 1 75 ILE HA 3.500 . 4.800 3.073 2.509 3.811 . 0 0 "[ . 1]" 1
637 1 70 PRO QB 1 75 ILE QG 3.100 . 5.400 4.336 3.874 4.765 . 0 0 "[ . 1]" 1
638 1 70 PRO QD 1 71 TYR H 4.000 . 5.300 4.962 4.901 4.997 . 0 0 "[ . 1]" 1
639 1 70 PRO QG 1 75 ILE QG 3.300 . 5.600 5.608 5.333 5.722 0.122 8 0 "[ . 1]" 1
640 1 71 TYR H 1 72 HIS H 3.900 . 4.200 4.325 4.219 4.403 0.203 8 0 "[ . 1]" 1
641 1 71 TYR H 1 73 ASP H 4.000 . 4.300 4.123 3.789 4.453 0.153 8 0 "[ . 1]" 1
642 1 71 TYR H 1 74 PHE H 3.300 . 3.600 2.876 2.363 3.393 . 0 0 "[ . 1]" 1
643 1 71 TYR H 1 75 ILE HA 3.700 . 4.000 3.532 3.301 3.742 . 0 0 "[ . 1]" 1
644 1 71 TYR H 1 76 LEU QD 4.500 . 6.500 3.772 3.031 4.730 . 0 0 "[ . 1]" 1
645 1 71 TYR HA 1 72 HIS H 2.600 . 2.900 2.207 2.196 2.221 . 0 0 "[ . 1]" 1
646 1 71 TYR QB 1 72 HIS H 3.600 . 4.900 3.856 3.714 3.914 . 0 0 "[ . 1]" 1
647 1 71 TYR QB 1 76 LEU QD 5.400 . 6.200 2.695 1.775 3.777 0.025 3 0 "[ . 1]" 1
648 1 71 TYR QB 1 98 MET ME 5.200 . 7.400 3.081 2.177 4.076 . 0 0 "[ . 1]" 1
649 1 71 TYR QD 1 72 HIS H 3.100 . 4.400 3.582 2.254 3.881 . 0 0 "[ . 1]" 1
650 1 71 TYR QD 1 72 HIS HD2 3.000 . 4.300 3.350 2.578 4.306 0.006 7 0 "[ . 1]" 1
651 1 71 TYR QD 1 73 ASP H 4.600 . 5.900 5.235 4.291 5.595 . 0 0 "[ . 1]" 1
652 1 71 TYR QD 1 76 LEU QD 4.200 . 5.800 3.897 2.708 4.901 . 0 0 "[ . 1]" 1
653 1 71 TYR QD 1 98 MET ME 5.000 . 7.300 3.010 1.812 5.506 . 0 0 "[ . 1]" 1
654 1 71 TYR QE 1 72 HIS H 3.500 . 4.800 4.681 4.190 4.881 0.081 10 0 "[ . 1]" 1
655 1 71 TYR QE 1 72 HIS QB 4.100 . 6.400 3.843 3.073 5.370 . 0 0 "[ . 1]" 1
656 1 71 TYR QE 1 72 HIS HD2 3.300 . 4.600 2.678 1.946 4.302 . 0 0 "[ . 1]" 1
657 1 71 TYR QE 1 98 MET ME 5.800 . 8.100 4.293 2.999 6.781 . 0 0 "[ . 1]" 1
658 1 72 HIS H 1 73 ASP H 3.200 . 3.500 2.804 2.628 3.610 0.110 3 0 "[ . 1]" 1
659 1 72 HIS QB 1 73 ASP H 4.100 . 5.400 3.676 2.431 3.856 . 0 0 "[ . 1]" 1
660 1 72 HIS QB 1 74 PHE QD 3.900 . 6.200 2.847 1.853 4.980 . 0 0 "[ . 1]" 1
661 1 73 ASP H 1 74 PHE H 3.400 . 3.700 2.536 1.824 2.695 . 0 0 "[ . 1]" 1
662 1 73 ASP HA 1 74 PHE H 3.500 . 3.800 3.146 2.962 3.524 . 0 0 "[ . 1]" 1
663 1 73 ASP HA 1 75 ILE MD 5.700 . 7.000 6.421 5.374 7.086 0.086 8 0 "[ . 1]" 1
664 1 73 ASP QB 1 74 PHE H 4.000 . 5.300 3.589 3.004 3.802 . 0 0 "[ . 1]" 1
665 1 74 PHE H 1 75 ILE H 4.100 . 4.400 4.469 4.413 4.528 0.128 4 0 "[ . 1]" 1
666 1 74 PHE H 1 98 MET ME 4.800 . 6.100 4.937 3.619 5.843 . 0 0 "[ . 1]" 1
667 1 74 PHE HA 1 75 ILE H 2.800 . 3.100 2.330 2.251 2.535 . 0 0 "[ . 1]" 1
668 1 74 PHE HA 1 75 ILE MD 6.000 . 7.300 5.060 4.224 5.584 . 0 0 "[ . 1]" 1
669 1 74 PHE QB 1 75 ILE H 3.600 . 4.600 3.031 2.109 3.836 . 0 0 "[ . 1]" 1
670 1 74 PHE QB 1 75 ILE MD 4.800 . 7.100 5.600 4.820 6.248 . 0 0 "[ . 1]" 1
671 1 74 PHE QB 1 75 ILE MG 4.900 . 7.200 4.272 3.810 4.950 . 0 0 "[ . 1]" 1
672 1 74 PHE QB 1 89 LYS QD 3.200 . 5.500 5.560 5.484 5.633 0.133 10 0 "[ . 1]" 1
673 1 74 PHE QB 1 89 LYS QG 2.900 . 5.200 5.190 4.853 5.358 0.158 4 0 "[ . 1]" 1
674 1 74 PHE QB 1 98 MET ME 4.800 . 7.000 2.926 1.826 4.029 . 0 0 "[ . 1]" 1
675 1 74 PHE QD 1 98 MET ME 5.000 . 5.100 3.594 2.537 4.690 . 0 0 "[ . 1]" 1
676 1 75 ILE HA 1 76 LEU H 2.700 . 3.000 2.698 2.180 3.108 0.108 8 0 "[ . 1]" 1
677 1 75 ILE MD 1 76 LEU HG 4.600 . 5.900 5.522 4.294 5.957 0.057 7 0 "[ . 1]" 1
678 1 75 ILE MD 1 77 GLU QG 6.000 . 8.300 5.298 3.472 6.708 . 0 0 "[ . 1]" 1
679 1 75 ILE QG 1 76 LEU H 3.900 . 5.200 2.120 1.819 3.291 . 0 0 "[ . 1]" 1
680 1 75 ILE QG 1 76 LEU HA 3.800 . 5.100 4.487 4.163 5.148 0.048 3 0 "[ . 1]" 1
681 1 75 ILE MG 1 76 LEU H 3.900 . 5.200 2.542 1.891 3.991 . 0 0 "[ . 1]" 1
682 1 75 ILE MG 1 77 GLU HA 4.500 . 5.800 5.189 4.284 5.835 0.035 10 0 "[ . 1]" 1
683 1 75 ILE MG 1 77 GLU QG 4.600 . 6.900 3.119 1.876 4.113 . 0 0 "[ . 1]" 1
684 1 75 ILE MG 1 89 LYS QG 5.700 . 8.000 7.666 7.034 8.099 0.099 3 0 "[ . 1]" 1
685 1 76 LEU HA 1 77 GLU H 2.800 . 3.100 2.388 2.186 3.635 0.535 8 1 "[ . + 1]" 1
686 1 76 LEU HA 1 77 GLU QG 3.100 . 4.400 3.635 3.287 4.161 . 0 0 "[ . 1]" 1
687 1 76 LEU HA 1 98 MET ME 5.500 . 6.800 4.755 3.449 5.900 . 0 0 "[ . 1]" 1
688 1 76 LEU QB 1 77 GLU H 3.300 . 4.600 3.303 2.911 3.859 . 0 0 "[ . 1]" 1
689 1 76 LEU QB 1 78 ASP H 4.000 . 5.300 3.824 2.989 4.774 . 0 0 "[ . 1]" 1
690 1 76 LEU QB 1 79 ALA H 4.100 . 5.400 4.313 3.137 5.271 . 0 0 "[ . 1]" 1
691 1 76 LEU QB 1 79 ALA MB 5.000 . 7.300 3.856 2.437 4.464 . 0 0 "[ . 1]" 1
692 1 76 LEU QD 1 77 GLU H 4.500 . 6.500 2.871 2.131 3.808 . 0 0 "[ . 1]" 1
693 1 76 LEU QD 1 79 ALA MB 4.400 . 7.400 3.137 1.873 4.607 . 0 0 "[ . 1]" 1
694 1 76 LEU QD 1 98 MET ME 4.200 . 7.200 2.987 2.127 4.086 . 0 0 "[ . 1]" 1
695 1 76 LEU QD 1 100 SER HA 5.900 . 7.900 4.609 3.578 6.235 . 0 0 "[ . 1]" 1
696 1 76 LEU QD 1 100 SER QB 4.500 . 7.500 2.722 1.950 4.009 . 0 0 "[ . 1]" 1
697 1 76 LEU HG 1 98 MET ME 4.600 . 5.900 4.638 3.416 5.979 0.079 10 0 "[ . 1]" 1
698 1 77 GLU H 1 78 ASP H 3.100 . 3.400 2.213 1.765 2.969 0.035 9 0 "[ . 1]" 1
699 1 77 GLU H 1 79 ALA H 4.100 . 4.400 3.994 3.629 4.492 0.092 3 0 "[ . 1]" 1
700 1 77 GLU HA 1 78 ASP H 3.500 . 3.800 3.036 2.457 3.376 . 0 0 "[ . 1]" 1
701 1 77 GLU HA 1 79 ALA H 4.000 . 4.300 3.521 3.177 4.047 . 0 0 "[ . 1]" 1
702 1 77 GLU QB 1 78 ASP H 3.900 . 5.100 3.769 3.237 4.052 . 0 0 "[ . 1]" 1
703 1 77 GLU QB 1 79 ALA H 4.500 . 5.800 4.857 4.504 5.472 . 0 0 "[ . 1]" 1
704 1 77 GLU QB 1 79 ALA MB 5.000 . 7.300 5.500 5.056 6.124 . 0 0 "[ . 1]" 1
705 1 78 ASP H 1 79 ALA H 3.200 . 3.500 2.127 1.718 2.433 0.082 3 0 "[ . 1]" 1
706 1 78 ASP H 1 79 ALA HA 4.200 . 4.500 4.559 4.289 4.718 0.218 6 0 "[ . 1]" 1
707 1 78 ASP H 1 79 ALA MB 4.800 . 6.100 3.610 3.195 3.831 . 0 0 "[ . 1]" 1
708 1 78 ASP HA 1 79 ALA H 3.600 . 3.900 3.315 3.234 3.470 . 0 0 "[ . 1]" 1
709 1 78 ASP HA 1 80 ALA H 4.000 . 4.300 3.940 3.529 4.352 0.052 7 0 "[ . 1]" 1
710 1 78 ASP HA 1 81 SER QB 3.700 . 5.000 3.437 2.416 4.299 . 0 0 "[ . 1]" 1
711 1 78 ASP QB 1 79 ALA H 4.400 . 5.500 3.505 3.220 3.919 . 0 0 "[ . 1]" 1
712 1 78 ASP QB 1 81 SER H 3.900 . 5.200 4.499 4.299 5.043 . 0 0 "[ . 1]" 1
713 1 78 ASP QB 1 81 SER QB 3.700 . 5.900 3.524 2.861 4.344 . 0 0 "[ . 1]" 1
714 1 79 ALA H 1 80 ALA H 3.600 . 3.900 2.679 2.540 2.877 . 0 0 "[ . 1]" 1
715 1 79 ALA HA 1 80 ALA H 3.800 . 4.100 3.546 3.497 3.586 . 0 0 "[ . 1]" 1
716 1 79 ALA HA 1 81 SER H 3.700 . 4.000 3.866 3.675 3.940 . 0 0 "[ . 1]" 1
717 1 79 ALA HA 1 81 SER QB 2.800 . 4.100 4.204 4.033 4.357 0.257 7 0 "[ . 1]" 1
718 1 79 ALA HA 1 101 CYS HA 3.300 . 3.600 2.953 2.443 3.425 . 0 0 "[ . 1]" 1
719 1 79 ALA HA 1 102 SER QB 2.900 . 4.200 4.077 3.366 4.330 0.130 10 0 "[ . 1]" 1
720 1 79 ALA MB 1 102 SER QB 5.800 . 8.100 3.242 2.173 3.846 . 0 0 "[ . 1]" 1
721 1 80 ALA H 1 81 SER H 3.300 . 3.600 2.695 2.622 2.755 . 0 0 "[ . 1]" 1
722 1 80 ALA HA 1 102 SER QB 2.800 . 4.100 2.628 1.838 3.448 . 0 0 "[ . 1]" 1
723 1 80 ALA MB 1 81 SER H 4.300 . 5.600 2.744 2.599 2.892 . 0 0 "[ . 1]" 1
724 1 80 ALA MB 1 81 SER HA 5.900 . 7.200 3.883 3.802 3.930 . 0 0 "[ . 1]" 1
725 1 80 ALA MB 1 102 SER QB 6.000 . 8.300 4.013 3.326 4.679 . 0 0 "[ . 1]" 1
726 1 81 SER H 1 101 CYS HA 3.700 . 4.000 4.098 3.840 4.242 0.242 7 0 "[ . 1]" 1
727 1 81 SER H 1 102 SER QB 4.100 . 5.400 4.489 3.711 4.953 . 0 0 "[ . 1]" 1
728 1 81 SER HA 1 82 PRO QG 4.000 . 5.300 3.899 3.849 3.936 . 0 0 "[ . 1]" 1
729 1 81 SER QB 1 83 LYS H 4.100 . 5.400 2.960 2.285 3.466 . 0 0 "[ . 1]" 1
730 1 81 SER QB 1 101 CYS HA 3.300 . 4.500 3.456 3.168 3.738 . 0 0 "[ . 1]" 1
731 1 82 PRO HA 1 83 LYS H 3.500 . 3.800 3.426 3.381 3.472 . 0 0 "[ . 1]" 1
732 1 82 PRO HA 1 101 CYS QB 2.500 . 3.800 3.607 3.294 3.903 0.103 6 0 "[ . 1]" 1
733 1 82 PRO HA 1 102 SER H 3.000 . 3.300 2.918 2.554 3.315 0.015 3 0 "[ . 1]" 1
734 1 82 PRO HA 1 103 SER H 3.600 . 3.900 3.691 3.246 3.963 0.063 4 0 "[ . 1]" 1
735 1 82 PRO HA 1 103 SER QB 3.100 . 4.400 2.565 2.114 3.298 . 0 0 "[ . 1]" 1
736 1 82 PRO QB 1 83 LYS H 4.100 . 5.400 3.539 3.372 3.662 . 0 0 "[ . 1]" 1
737 1 82 PRO QB 1 83 LYS QD 5.000 . 7.300 4.801 4.222 5.490 . 0 0 "[ . 1]" 1
738 1 82 PRO QB 1 103 SER HA 4.000 . 5.300 4.812 3.610 5.333 0.033 4 0 "[ . 1]" 1
739 1 82 PRO QB 1 103 SER QB 3.400 . 5.400 2.824 2.205 3.522 . 0 0 "[ . 1]" 1
740 1 82 PRO QG 1 83 LYS H 3.600 . 4.900 2.924 2.605 3.193 . 0 0 "[ . 1]" 1
741 1 82 PRO QG 1 83 LYS QB 3.800 . 6.100 3.335 3.147 3.762 . 0 0 "[ . 1]" 1
742 1 82 PRO QG 1 83 LYS QD 4.700 . 6.500 4.409 3.253 5.253 . 0 0 "[ . 1]" 1
743 1 82 PRO QG 1 83 LYS QG 3.400 . 5.700 4.091 2.324 5.209 . 0 0 "[ . 1]" 1
744 1 83 LYS H 1 101 CYS HA 4.200 . 4.500 4.613 4.535 4.672 0.172 8 0 "[ . 1]" 1
745 1 83 LYS HA 1 85 ILE MD 5.900 . 7.200 6.082 5.114 7.219 0.019 2 0 "[ . 1]" 1
746 1 83 LYS HA 1 106 CYS QB 2.900 . 4.200 4.011 3.390 4.243 0.043 8 0 "[ . 1]" 1
747 1 83 LYS HA 1 111 ILE MD 5.300 . 6.600 4.569 3.450 5.142 . 0 0 "[ . 1]" 1
748 1 83 LYS QB 1 85 ILE MD 3.900 . 6.200 4.086 3.024 5.404 . 0 0 "[ . 1]" 1
749 1 83 LYS QB 1 111 ILE MD 4.300 . 6.600 4.035 1.832 5.072 . 0 0 "[ . 1]" 1
750 1 83 LYS QD 1 111 ILE MD 4.600 . 6.900 3.648 1.829 5.051 . 0 0 "[ . 1]" 1
751 1 83 LYS QE 1 85 ILE MD 5.600 . 7.900 4.720 1.803 7.377 . 0 0 "[ . 1]" 1
752 1 83 LYS QG 1 85 ILE MD 4.500 . 6.800 4.031 2.148 6.628 . 0 0 "[ . 1]" 1
753 1 85 ILE MD 1 87 LYS QG 4.000 . 6.300 5.512 4.724 6.494 0.194 1 0 "[ . 1]" 1
754 1 85 ILE MD 1 111 ILE HB 4.400 . 5.700 5.391 4.066 5.742 0.042 7 0 "[ . 1]" 1
755 1 85 ILE MD 1 111 ILE QG 4.500 . 6.800 5.863 4.573 6.598 . 0 0 "[ . 1]" 1
756 1 85 ILE MD 1 111 ILE MG 3.500 . 5.800 4.555 3.530 5.326 . 0 0 "[ . 1]" 1
757 1 85 ILE MD 1 114 GLU HA 6.000 . 7.300 4.524 3.151 7.238 . 0 0 "[ . 1]" 1
758 1 85 ILE MD 1 114 GLU QB 4.500 . 6.800 4.513 3.530 6.764 . 0 0 "[ . 1]" 1
759 1 87 LYS HA 1 88 GLU H 3.100 . 3.400 2.254 2.187 2.296 . 0 0 "[ . 1]" 1
760 1 87 LYS QB 1 88 GLU H 3.400 . 4.700 3.310 2.656 3.982 . 0 0 "[ . 1]" 1
761 1 87 LYS QD 1 89 LYS QD 3.400 . 5.700 5.783 5.590 5.946 0.246 6 0 "[ . 1]" 1
762 1 87 LYS QG 1 113 SER H 4.400 . 5.700 5.463 4.544 5.862 0.162 3 0 "[ . 1]" 1
763 1 88 GLU H 1 97 PHE QD 3.900 . 5.200 3.150 2.424 4.691 . 0 0 "[ . 1]" 1
764 1 88 GLU HA 1 89 LYS H 2.600 . 2.900 2.223 2.125 2.340 . 0 0 "[ . 1]" 1
765 1 88 GLU HA 1 97 PHE HA 2.400 . 2.700 2.261 1.927 2.786 0.086 2 0 "[ . 1]" 1
766 1 88 GLU HA 1 97 PHE QD 3.100 . 4.400 2.855 2.628 3.028 . 0 0 "[ . 1]" 1
767 1 88 GLU QB 1 89 LYS H 3.400 . 4.700 3.694 3.462 3.899 . 0 0 "[ . 1]" 1
768 1 88 GLU QB 1 95 THR MG 4.200 . 6.500 4.534 3.543 5.117 . 0 0 "[ . 1]" 1
769 1 88 GLU QB 1 97 PHE QD 3.700 . 6.000 3.235 2.717 4.048 . 0 0 "[ . 1]" 1
770 1 88 GLU QG 1 89 LYS H 3.100 . 4.400 2.550 2.052 2.971 . 0 0 "[ . 1]" 1
771 1 88 GLU QG 1 89 LYS QD 2.700 . 5.000 4.958 4.594 5.169 0.169 10 0 "[ . 1]" 1
772 1 88 GLU QG 1 95 THR HA 3.600 . 4.900 4.734 4.199 5.016 0.116 9 0 "[ . 1]" 1
773 1 88 GLU QG 1 95 THR MG 4.600 . 6.900 2.841 1.852 3.394 . 0 0 "[ . 1]" 1
774 1 88 GLU QG 1 96 PHE H 3.800 . 5.100 4.475 3.911 5.139 0.039 1 0 "[ . 1]" 1
775 1 89 LYS H 1 90 LYS H 4.100 . 4.400 4.375 4.224 4.513 0.113 3 0 "[ . 1]" 1
776 1 89 LYS H 1 96 PHE QD 3.300 . 4.600 4.383 4.022 4.638 0.038 2 0 "[ . 1]" 1
777 1 89 LYS H 1 97 PHE HA 3.400 . 3.700 2.276 1.930 2.700 . 0 0 "[ . 1]" 1
778 1 89 LYS HA 1 90 LYS H 3.000 . 3.300 2.209 2.152 2.254 . 0 0 "[ . 1]" 1
779 1 89 LYS QB 1 90 LYS H 4.100 . 5.000 3.397 2.910 3.810 . 0 0 "[ . 1]" 1
780 1 89 LYS QB 1 96 PHE QD 2.100 . 4.400 2.666 2.211 3.286 . 0 0 "[ . 1]" 1
781 1 89 LYS QE 1 98 MET ME 4.300 . 6.600 4.113 2.850 5.788 . 0 0 "[ . 1]" 1
782 1 89 LYS QG 1 90 LYS H 4.200 . 5.500 3.306 2.311 4.612 . 0 0 "[ . 1]" 1
783 1 89 LYS QG 1 96 PHE QD 3.900 . 6.200 3.520 3.026 4.246 . 0 0 "[ . 1]" 1
784 1 89 LYS QG 1 98 MET ME 4.400 . 6.700 3.636 2.031 4.814 . 0 0 "[ . 1]" 1
785 1 90 LYS H 1 91 LYS H 4.100 . 4.400 4.458 4.379 4.561 0.161 10 0 "[ . 1]" 1
786 1 90 LYS HA 1 91 LYS H 2.800 . 3.100 2.156 2.095 2.194 . 0 0 "[ . 1]" 1
787 1 90 LYS HA 1 95 THR HA 2.900 . 3.200 3.517 3.358 3.647 0.447 9 0 "[ . 1]" 1
788 1 90 LYS HA 1 95 THR MG 4.500 . 5.800 3.741 3.160 4.194 . 0 0 "[ . 1]" 1
789 1 90 LYS QD 1 91 LYS QB 3.100 . 5.400 4.838 4.079 5.548 0.148 3 0 "[ . 1]" 1
790 1 90 LYS QD 1 92 PRO QB 2.900 . 5.200 5.242 5.023 5.365 0.165 8 0 "[ . 1]" 1
791 1 90 LYS QE 1 92 PRO HA 4.100 . 5.400 3.698 3.358 4.206 . 0 0 "[ . 1]" 1
792 1 90 LYS QE 1 93 GLY QA 3.800 . 6.100 5.961 5.131 6.137 0.037 8 0 "[ . 1]" 1
793 1 90 LYS QE 1 95 THR MG 5.600 . 7.900 5.646 5.185 6.221 . 0 0 "[ . 1]" 1
794 1 90 LYS QG 1 91 LYS H 3.900 . 5.200 2.994 2.262 3.645 . 0 0 "[ . 1]" 1
795 1 90 LYS QG 1 92 PRO HA 3.700 . 5.000 4.783 4.039 5.022 0.022 5 0 "[ . 1]" 1
796 1 91 LYS H 1 92 PRO QD 4.200 . 5.500 4.376 4.250 4.447 . 0 0 "[ . 1]" 1
797 1 91 LYS H 1 94 GLU H 4.200 . 4.500 4.148 3.649 4.799 0.299 10 0 "[ . 1]" 1
798 1 91 LYS H 1 95 THR HA 3.900 . 4.200 3.025 2.700 3.337 . 0 0 "[ . 1]" 1
799 1 91 LYS HA 1 92 PRO QD 3.000 . 4.100 2.069 1.986 2.177 . 0 0 "[ . 1]" 1
800 1 91 LYS HA 1 92 PRO QG 3.500 . 4.800 3.984 3.930 4.066 . 0 0 "[ . 1]" 1
801 1 91 LYS QB 1 92 PRO QD 3.200 . 5.000 2.997 2.281 3.434 . 0 0 "[ . 1]" 1
802 1 91 LYS QB 1 94 GLU H 4.400 . 5.700 2.664 1.910 3.461 . 0 0 "[ . 1]" 1
803 1 91 LYS QB 1 94 GLU QB 3.700 . 6.000 2.828 1.893 4.100 . 0 0 "[ . 1]" 1
804 1 91 LYS QB 1 94 GLU QG 3.600 . 5.900 2.908 2.005 4.081 . 0 0 "[ . 1]" 1
805 1 91 LYS QB 1 96 PHE QD 2.900 . 5.200 4.065 1.945 5.090 . 0 0 "[ . 1]" 1
806 1 91 LYS QD 1 92 PRO QD 2.700 . 5.000 3.374 1.965 4.028 . 0 0 "[ . 1]" 1
807 1 91 LYS QD 1 96 PHE QD 4.300 . 6.600 3.484 1.953 4.790 . 0 0 "[ . 1]" 1
808 1 91 LYS QE 1 92 PRO QD 4.100 . 6.400 3.856 2.925 4.580 . 0 0 "[ . 1]" 1
809 1 91 LYS QE 1 92 PRO QG 4.800 . 7.100 5.124 3.646 6.204 . 0 0 "[ . 1]" 1
810 1 91 LYS QE 1 94 GLU QG 3.800 . 6.100 4.401 3.109 4.892 . 0 0 "[ . 1]" 1
811 1 91 LYS QE 1 96 PHE QD 4.300 . 5.600 3.755 2.733 5.011 . 0 0 "[ . 1]" 1
812 1 91 LYS QG 1 92 PRO QD 3.300 . 5.500 2.099 1.836 3.169 . 0 0 "[ . 1]" 1
813 1 91 LYS QG 1 92 PRO QG 3.100 . 5.400 3.811 3.396 4.907 . 0 0 "[ . 1]" 1
814 1 91 LYS QG 1 94 GLU H 4.700 . 6.000 4.492 3.674 5.437 . 0 0 "[ . 1]" 1
815 1 91 LYS QG 1 96 PHE QD 3.800 . 5.300 4.244 3.363 5.394 0.094 7 0 "[ . 1]" 1
816 1 92 PRO HA 1 93 GLY H 2.700 . 3.000 2.552 2.177 3.213 0.213 2 0 "[ . 1]" 1
817 1 92 PRO HA 1 94 GLU H 4.100 . 4.400 4.023 3.564 4.453 0.053 9 0 "[ . 1]" 1
818 1 92 PRO QB 1 93 GLY H 3.400 . 4.700 3.654 3.245 3.974 . 0 0 "[ . 1]" 1
819 1 92 PRO QD 1 93 GLY H 4.200 . 5.500 4.253 3.153 5.004 . 0 0 "[ . 1]" 1
820 1 92 PRO QG 1 93 GLY H 3.900 . 5.200 4.420 3.638 4.803 . 0 0 "[ . 1]" 1
821 1 93 GLY H 1 94 GLU H 3.300 . 3.600 2.353 1.596 3.418 0.204 6 0 "[ . 1]" 1
822 1 93 GLY QA 1 94 GLU H 3.900 . 5.200 2.891 2.632 2.968 . 0 0 "[ . 1]" 1
823 1 94 GLU H 1 95 THR H 4.200 . 4.500 4.375 4.035 4.572 0.072 10 0 "[ . 1]" 1
824 1 94 GLU HA 1 95 THR H 3.600 . 3.900 2.368 2.202 2.500 . 0 0 "[ . 1]" 1
825 1 94 GLU QB 1 95 THR H 3.400 . 4.700 3.251 2.605 3.891 . 0 0 "[ . 1]" 1
826 1 94 GLU QB 1 95 THR MG 5.900 . 8.200 5.678 5.478 5.926 . 0 0 "[ . 1]" 1
827 1 94 GLU QG 1 95 THR H 3.200 . 4.500 3.209 2.066 4.697 0.197 10 0 "[ . 1]" 1
828 1 94 GLU QG 1 95 THR HA 3.700 . 5.000 4.380 3.841 5.022 0.022 10 0 "[ . 1]" 1
829 1 94 GLU QG 1 95 THR MG 4.800 . 7.100 5.360 4.874 6.139 . 0 0 "[ . 1]" 1
830 1 94 GLU QG 1 96 PHE H 3.900 . 5.200 4.379 3.299 5.901 0.701 10 1 "[ . +]" 1
831 1 94 GLU QG 1 96 PHE QD 3.400 . 5.700 3.915 3.188 4.598 . 0 0 "[ . 1]" 1
832 1 95 THR H 1 96 PHE H 3.900 . 4.200 4.251 3.905 4.492 0.292 3 0 "[ . 1]" 1
833 1 95 THR H 1 96 PHE QB 4.500 . 5.800 4.721 4.094 5.206 . 0 0 "[ . 1]" 1
834 1 95 THR HA 1 96 PHE H 2.700 . 3.000 2.274 2.209 2.361 . 0 0 "[ . 1]" 1
835 1 95 THR MG 1 96 PHE H 4.100 . 5.400 3.118 2.395 3.742 . 0 0 "[ . 1]" 1
836 1 95 THR MG 1 96 PHE HA 5.700 . 7.000 4.315 3.778 4.930 . 0 0 "[ . 1]" 1
837 1 95 THR MG 1 97 PHE QB 5.800 . 8.100 5.127 4.240 6.408 . 0 0 "[ . 1]" 1
838 1 95 THR MG 1 97 PHE QD 5.100 . 5.100 3.768 2.886 4.720 . 0 0 "[ . 1]" 1
839 1 96 PHE HA 1 97 PHE H 2.700 . 3.000 2.306 2.241 2.455 . 0 0 "[ . 1]" 1
840 1 96 PHE QB 1 97 PHE H 3.100 . 4.400 3.585 2.649 3.872 . 0 0 "[ . 1]" 1
841 1 96 PHE QD 1 98 MET ME . . 5.100 4.247 3.474 5.188 0.088 10 0 "[ . 1]" 1
842 1 98 MET ME 1 100 SER HA 6.000 . 7.300 6.723 5.888 7.353 0.053 7 0 "[ . 1]" 1
843 1 100 SER HA 1 101 CYS H 2.900 . 3.200 2.231 2.203 2.287 . 0 0 "[ . 1]" 1
844 1 100 SER QB 1 101 CYS H 3.200 . 4.500 3.374 2.987 3.782 . 0 0 "[ . 1]" 1
845 1 101 CYS HA 1 102 SER H 2.600 . 2.900 2.367 2.322 2.444 . 0 0 "[ . 1]" 1
846 1 101 CYS QB 1 102 SER H 2.900 . 4.200 2.958 2.585 3.566 . 0 0 "[ . 1]" 1
847 1 101 CYS QB 1 103 SER H 3.600 . 4.900 3.016 2.417 4.059 . 0 0 "[ . 1]" 1
848 1 102 SER H 1 103 SER H 3.400 . 3.700 2.796 2.450 3.748 0.048 5 0 "[ . 1]" 1
849 1 102 SER HA 1 103 SER H 3.500 . 3.800 2.936 2.414 3.170 . 0 0 "[ . 1]" 1
850 1 103 SER H 1 104 ASP H 4.200 . 4.500 4.335 2.696 4.579 0.079 7 0 "[ . 1]" 1
851 1 103 SER H 1 106 CYS QB 3.900 . 5.200 3.458 3.012 4.110 . 0 0 "[ . 1]" 1
852 1 103 SER HA 1 104 ASP H 2.800 . 3.100 2.442 2.260 3.493 0.393 5 0 "[ . 1]" 1
853 1 103 SER QB 1 104 ASP H 3.200 . 4.500 3.068 2.135 3.658 . 0 0 "[ . 1]" 1
854 1 104 ASP QB 1 105 GLU H 3.300 . 4.600 2.879 1.882 3.911 . 0 0 "[ . 1]" 1
855 1 104 ASP QB 1 105 GLU QG 3.200 . 5.500 3.910 2.697 5.637 0.137 8 0 "[ . 1]" 1
856 1 105 GLU H 1 106 CYS H 3.700 . 4.000 3.763 2.792 4.198 0.198 10 0 "[ . 1]" 1
857 1 105 GLU HA 1 107 ASN H 3.700 . 4.000 3.478 3.294 3.779 . 0 0 "[ . 1]" 1
858 1 105 GLU QB 1 108 ASP H 4.100 . 5.400 4.515 3.934 5.408 0.008 8 0 "[ . 1]" 1
859 1 106 CYS HA 1 107 ASN H 3.500 . 3.800 3.277 2.949 3.532 . 0 0 "[ . 1]" 1
860 1 106 CYS HA 1 108 ASP H 3.700 . 4.000 3.920 3.782 4.112 0.112 3 0 "[ . 1]" 1
861 1 106 CYS HA 1 111 ILE MD 4.700 . 6.000 6.051 5.299 6.254 0.254 9 0 "[ . 1]" 1
862 1 107 ASN H 1 108 ASP H 3.400 . 3.700 2.194 1.829 2.489 . 0 0 "[ . 1]" 1
863 1 107 ASN H 1 108 ASP QB 3.700 . 5.000 3.939 3.496 4.260 . 0 0 "[ . 1]" 1
864 1 107 ASN HA 1 108 ASP H 3.700 . 4.000 3.386 3.316 3.544 . 0 0 "[ . 1]" 1
865 1 107 ASN QB 1 108 ASP H 3.900 . 5.000 3.468 3.146 3.864 . 0 0 "[ . 1]" 1
866 1 108 ASP H 1 109 ASN H 3.000 . 3.300 2.660 2.560 2.746 . 0 0 "[ . 1]" 1
867 1 108 ASP QB 1 109 ASN H 3.400 . 4.700 2.856 2.315 3.475 . 0 0 "[ . 1]" 1
868 1 109 ASN QB 1 111 ILE MD 5.800 . 8.100 3.855 3.300 4.506 . 0 0 "[ . 1]" 1
869 1 110 ILE MD 1 111 ILE HA 5.600 . 6.900 5.094 3.345 5.727 . 0 0 "[ . 1]" 1
870 1 110 ILE MD 1 111 ILE HB 4.200 . 5.500 5.585 4.918 6.204 0.704 9 1 "[ . +1]" 1
871 1 110 ILE MD 1 111 ILE MD 4.600 . 6.900 5.093 4.370 6.375 . 0 0 "[ . 1]" 1
872 1 110 ILE MD 1 111 ILE MG 4.900 . 7.200 5.821 4.679 6.196 . 0 0 "[ . 1]" 1
873 1 110 ILE MD 1 112 PHE HA 5.600 . 6.900 5.598 4.121 6.783 . 0 0 "[ . 1]" 1
874 1 110 ILE MD 1 112 PHE QE 5.300 . 7.600 2.931 1.997 3.844 . 0 0 "[ . 1]" 1
875 1 110 ILE QG 1 111 ILE MD 5.800 . 6.300 4.809 3.614 6.288 . 0 0 "[ . 1]" 1
876 1 110 ILE MG 1 111 ILE MD 5.500 . 7.800 4.876 4.119 5.757 . 0 0 "[ . 1]" 1
877 1 110 ILE MG 1 111 ILE MG 4.500 . 6.800 5.509 4.886 6.357 . 0 0 "[ . 1]" 1
878 1 110 ILE MG 1 112 PHE QE 4.800 . 5.100 2.771 1.810 4.428 . 0 0 "[ . 1]" 1
879 1 111 ILE HA 1 112 PHE H 2.600 . 2.900 2.175 2.105 2.210 . 0 0 "[ . 1]" 1
880 1 111 ILE HA 1 112 PHE QB 4.000 . 5.300 4.260 4.043 4.385 . 0 0 "[ . 1]" 1
881 1 111 ILE HA 1 113 SER H 3.300 . 3.600 3.640 3.478 3.804 0.204 5 0 "[ . 1]" 1
882 1 111 ILE HB 1 113 SER H 4.100 . 4.400 4.247 3.922 4.461 0.061 10 0 "[ . 1]" 1
883 1 111 ILE QG 1 112 PHE H 3.500 . 4.800 4.263 4.188 4.332 . 0 0 "[ . 1]" 1
884 1 111 ILE QG 1 113 SER QB 3.900 . 6.200 5.505 4.950 6.244 0.044 8 0 "[ . 1]" 1
885 1 111 ILE MG 1 112 PHE H 3.800 . 5.100 2.811 2.628 2.928 . 0 0 "[ . 1]" 1
886 1 111 ILE MG 1 113 SER H 4.100 . 5.400 2.191 2.043 2.292 . 0 0 "[ . 1]" 1
887 1 111 ILE MG 1 113 SER HA 4.900 . 6.200 4.423 4.254 4.610 . 0 0 "[ . 1]" 1
888 1 111 ILE MG 1 113 SER QB 4.400 . 6.700 3.243 2.627 3.934 . 0 0 "[ . 1]" 1
889 1 111 ILE MG 1 114 GLU H 5.100 . 6.400 2.946 1.898 5.210 . 0 0 "[ . 1]" 1
890 1 111 ILE MG 1 114 GLU HA 4.300 . 5.600 3.595 2.384 4.835 . 0 0 "[ . 1]" 1
891 1 111 ILE MG 1 114 GLU QG 4.900 . 7.200 4.337 1.519 5.990 0.281 6 0 "[ . 1]" 1
892 1 112 PHE H 1 113 SER H 3.000 . 3.300 2.447 2.066 2.885 . 0 0 "[ . 1]" 1
893 1 112 PHE HA 1 113 SER H 3.300 . 3.600 3.146 2.868 3.380 . 0 0 "[ . 1]" 1
894 1 112 PHE HA 1 113 SER QB 4.100 . 5.400 4.867 4.498 5.408 0.008 4 0 "[ . 1]" 1
895 1 112 PHE QB 1 113 SER H 3.700 . 4.900 3.569 3.221 3.822 . 0 0 "[ . 1]" 1
896 1 112 PHE QD 1 113 SER H 4.000 . 5.300 4.715 4.486 4.879 . 0 0 "[ . 1]" 1
897 1 113 SER H 1 114 GLU H 4.300 . 4.600 2.708 1.788 4.619 0.019 2 0 "[ . 1]" 1
898 1 113 SER HA 1 114 GLU H 3.000 . 3.300 3.198 2.240 3.550 0.250 3 0 "[ . 1]" 1
899 1 113 SER HA 1 117 ASN H 3.600 . 3.900 3.988 3.910 4.138 0.238 8 0 "[ . 1]" 1
900 1 113 SER QB 1 114 GLU H 3.800 . 5.100 3.159 2.202 4.074 . 0 0 "[ . 1]" 1
901 1 113 SER QB 1 114 GLU QB 3.500 . 5.800 4.440 4.153 4.759 . 0 0 "[ . 1]" 1
902 1 114 GLU H 1 115 GLU H 4.000 . 4.300 3.997 2.676 4.384 0.084 6 0 "[ . 1]" 1
903 1 115 GLU H 1 116 TYR H 4.100 . 4.400 2.643 1.923 3.372 . 0 0 "[ . 1]" 1
904 1 115 GLU HA 1 116 TYR H 3.400 . 3.700 3.242 2.609 3.564 . 0 0 "[ . 1]" 1
905 1 115 GLU HA 1 116 TYR HA 4.500 . 4.800 4.877 4.751 5.082 0.282 1 0 "[ . 1]" 1
906 1 115 GLU HA 1 117 ASN H 5.300 . 5.600 4.835 3.915 5.700 0.100 8 0 "[ . 1]" 1
907 1 115 GLU QB 1 116 TYR H 4.300 . 5.600 3.287 2.016 4.013 . 0 0 "[ . 1]" 1
908 1 115 GLU QB 1 117 ASN H 5.500 . 6.800 4.619 3.323 5.312 . 0 0 "[ . 1]" 1
909 1 115 GLU QB 1 119 SER HA 4.000 . 5.300 5.370 5.235 5.506 0.206 1 0 "[ . 1]" 1
910 1 115 GLU QG 1 116 TYR H 4.900 . 6.200 3.921 3.113 4.456 . 0 0 "[ . 1]" 1
911 1 116 TYR HA 1 118 THR H 5.500 . 5.800 4.506 3.591 5.288 . 0 0 "[ . 1]" 1
912 1 116 TYR QB 1 117 ASN H 4.600 . 5.900 3.265 2.391 4.029 . 0 0 "[ . 1]" 1
913 1 116 TYR QD 1 117 ASN H 5.200 . 6.500 4.237 3.228 4.891 . 0 0 "[ . 1]" 1
914 1 117 ASN H 1 118 THR H 3.800 . 4.100 2.851 2.053 4.174 0.074 6 0 "[ . 1]" 1
915 1 117 ASN HA 1 118 THR H 3.600 . 3.900 2.886 2.354 3.404 . 0 0 "[ . 1]" 1
916 1 117 ASN HA 1 119 SER H 5.500 . 5.800 4.482 3.278 5.312 . 0 0 "[ . 1]" 1
917 1 117 ASN HA 1 120 ASN H 4.000 . 4.300 4.267 3.624 4.491 0.191 8 0 "[ . 1]" 1
918 1 117 ASN QB 1 118 THR H 5.200 . 6.400 3.844 3.537 4.007 . 0 0 "[ . 1]" 1
919 1 117 ASN QB 1 120 ASN HA 3.900 . 5.200 3.188 1.884 4.816 . 0 0 "[ . 1]" 1
920 1 117 ASN QB 1 121 PRO QB 3.200 . 5.500 5.612 5.243 6.175 0.675 9 1 "[ . +1]" 1
921 1 118 THR HA 1 119 SER H 4.900 . 5.200 3.209 2.759 3.546 . 0 0 "[ . 1]" 1
922 1 118 THR HB 1 119 SER H 3.900 . 4.200 3.165 1.897 4.257 0.057 6 0 "[ . 1]" 1
923 1 119 SER HA 1 120 ASN H 4.400 . 4.700 3.228 2.701 3.549 . 0 0 "[ . 1]" 1
924 1 119 SER QB 1 121 PRO HA 2.900 . 4.200 4.407 4.136 5.069 0.869 7 2 "[ - + 1]" 1
925 1 120 ASN HA 1 121 PRO QD 3.600 . 4.900 2.454 2.021 3.476 . 0 0 "[ . 1]" 1
926 1 120 ASN HA 1 121 PRO QG 5.000 . 6.300 4.278 3.897 5.189 . 0 0 "[ . 1]" 1
927 1 121 PRO HA 1 122 ASP H 4.600 . 4.900 2.532 2.266 3.489 . 0 0 "[ . 1]" 1
928 1 121 PRO QB 1 122 ASP QB 3.300 . 5.600 4.337 3.187 5.013 . 0 0 "[ . 1]" 1
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