NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
551318 |
2ly4   |
18709 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ly4
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 2392
_Distance_constraint_stats_list.Viol_count 1069
_Distance_constraint_stats_list.Viol_total 1072.993
_Distance_constraint_stats_list.Viol_max 0.991
_Distance_constraint_stats_list.Viol_rms 0.0353
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.1004
_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 LYS 0.000 0.000 . 0 "[ . 1]"
1 3 GLY 0.000 0.000 . 0 "[ . 1]"
1 4 ASP 1.537 0.612 4 1 "[ +. 1]"
1 5 PRO 1.278 0.204 10 0 "[ . 1]"
1 6 LYS 2.692 0.204 10 0 "[ . 1]"
1 7 LYS 5.231 0.928 5 2 "[ -+ 1]"
1 8 PRO 1.977 0.928 5 1 "[ + 1]"
1 9 ARG 1.690 0.363 5 0 "[ . 1]"
1 10 GLY 1.026 0.281 7 0 "[ . 1]"
1 11 LYS 1.354 0.645 8 1 "[ . + 1]"
1 12 MET 3.988 0.574 1 1 "[+ . 1]"
1 13 SER 0.172 0.135 7 0 "[ . 1]"
1 14 SER 0.370 0.260 10 0 "[ . 1]"
1 15 TYR 0.494 0.101 5 0 "[ . 1]"
1 16 ALA 2.195 0.240 10 0 "[ . 1]"
1 17 PHE 2.495 0.516 3 1 "[ + . 1]"
1 18 PHE 1.494 0.212 10 0 "[ . 1]"
1 19 VAL 5.838 0.556 4 1 "[ +. 1]"
1 20 GLN 2.677 0.516 3 1 "[ + . 1]"
1 21 THR 1.142 0.450 4 0 "[ . 1]"
1 22 CYS 0.509 0.201 7 0 "[ . 1]"
1 23 ARG 2.546 0.940 3 1 "[ + . 1]"
1 24 GLU 1.572 0.403 2 0 "[ . 1]"
1 25 GLU 2.261 0.403 2 0 "[ . 1]"
1 26 HIS 0.807 0.177 3 0 "[ . 1]"
1 27 LYS 1.982 0.403 2 0 "[ . 1]"
1 28 LYS 4.608 0.766 5 3 "[ - + * 1]"
1 29 LYS 2.958 0.766 5 1 "[ + 1]"
1 30 HIS 0.611 0.119 5 0 "[ . 1]"
1 31 PRO 0.349 0.119 5 0 "[ . 1]"
1 32 ASP 0.101 0.029 9 0 "[ . 1]"
1 33 ALA 0.213 0.177 3 0 "[ . 1]"
1 34 SER 0.054 0.031 7 0 "[ . 1]"
1 35 VAL 1.720 0.940 3 1 "[ + . 1]"
1 36 ASN 0.615 0.192 9 0 "[ . 1]"
1 37 PHE 1.787 0.217 3 0 "[ . 1]"
1 38 SER 0.000 0.000 . 0 "[ . 1]"
1 39 GLU 1.052 0.403 2 0 "[ . 1]"
1 40 PHE 4.038 0.278 9 0 "[ . 1]"
1 41 SER 2.571 0.653 1 2 "[+ . -]"
1 42 LYS 3.118 0.991 9 2 "[ . -+1]"
1 43 LYS 2.361 0.991 9 1 "[ . +1]"
1 44 CYS 1.116 0.262 9 0 "[ . 1]"
1 45 SER 0.043 0.019 5 0 "[ . 1]"
1 46 GLU 0.627 0.078 3 0 "[ . 1]"
1 47 ARG 0.377 0.212 10 0 "[ . 1]"
1 48 TRP 1.884 0.260 10 0 "[ . 1]"
1 49 LYS 1.383 0.206 8 0 "[ . 1]"
1 50 THR 1.105 0.113 9 0 "[ . 1]"
1 51 MET 0.926 0.233 10 0 "[ . 1]"
1 52 SER 1.451 0.557 5 1 "[ + 1]"
1 53 ALA 0.000 0.000 . 0 "[ . 1]"
1 54 LYS 0.099 0.055 7 0 "[ . 1]"
1 55 GLU 1.702 0.557 5 1 "[ + 1]"
1 56 LYS 1.293 0.260 10 0 "[ . 1]"
1 57 GLY 0.000 0.000 . 0 "[ . 1]"
1 58 LYS 1.884 0.525 5 1 "[ + 1]"
1 59 PHE 1.345 0.450 4 0 "[ . 1]"
1 60 GLU 0.099 0.080 3 0 "[ . 1]"
1 61 ASP 2.057 0.440 4 0 "[ . 1]"
1 62 MET 1.451 0.525 5 1 "[ + 1]"
1 63 ALA 0.120 0.080 3 0 "[ . 1]"
1 64 LYS 3.536 0.440 4 0 "[ . 1]"
1 65 ALA 1.346 0.220 1 0 "[ . 1]"
1 66 ASP 0.340 0.183 7 0 "[ . 1]"
1 67 LYS 1.812 0.645 8 1 "[ . + 1]"
1 68 ALA 1.149 0.162 7 0 "[ . 1]"
1 69 ARG 1.292 0.439 2 0 "[ . 1]"
1 70 TYR 3.382 0.645 8 1 "[ . + 1]"
1 71 GLU 2.976 0.162 7 0 "[ . 1]"
1 72 ARG 1.191 0.439 2 0 "[ . 1]"
1 73 GLU 0.045 0.045 10 0 "[ . 1]"
1 74 MET 1.348 0.328 10 0 "[ . 1]"
1 75 LYS 2.004 0.316 10 0 "[ . 1]"
1 76 THR 1.797 0.205 5 0 "[ . 1]"
1 77 TYR 5.546 0.726 3 3 "[ + . * -1]"
1 78 ILE 1.760 0.256 3 0 "[ . 1]"
1 79 PRO 2.800 0.726 3 3 "[ + . * -1]"
1 80 PRO 2.287 0.726 3 3 "[ + . * -1]"
1 81 LYS 0.386 0.145 5 0 "[ . 1]"
1 82 GLY 0.279 0.196 8 0 "[ . 1]"
1 83 GLU 0.279 0.196 8 0 "[ . 1]"
2 14 LEU 0.611 0.188 6 0 "[ . 1]"
2 15 SER 0.925 0.329 8 0 "[ . 1]"
2 16 GLN 1.114 0.394 7 0 "[ . 1]"
2 17 GLU 2.132 0.774 5 2 "[- + 1]"
2 18 THR 0.304 0.067 1 0 "[ . 1]"
2 19 PHE 2.409 0.774 5 2 "[- + 1]"
2 20 SER 2.191 0.488 9 0 "[ . 1]"
2 21 ASP 1.883 0.631 1 1 "[+ . 1]"
2 22 LEU 1.627 0.488 9 0 "[ . 1]"
2 23 TRP 2.702 0.774 5 2 "[- + 1]"
2 24 LYS 2.565 0.631 1 1 "[+ . 1]"
2 25 LEU 0.690 0.124 1 0 "[ . 1]"
2 26 LEU 1.537 0.234 7 0 "[ . 1]"
2 27 PRO 2.137 0.394 7 0 "[ . 1]"
2 28 GLU 3.676 0.774 5 2 "[- + 1]"
2 29 ASN 2.135 0.882 2 1 "[ + . 1]"
2 30 ASN 2.128 0.839 3 1 "[ + . 1]"
2 31 VAL 2.737 0.746 2 1 "[ + . 1]"
2 32 LEU 4.069 0.882 2 2 "[ +* . 1]"
2 33 SER 1.639 0.488 9 0 "[ . 1]"
2 34 PRO 0.875 0.449 3 0 "[ . 1]"
2 35 LEU 3.890 0.488 9 0 "[ . 1]"
2 36 PRO 3.570 0.434 5 0 "[ . 1]"
2 37 SER 0.000 0.000 . 0 "[ . 1]"
2 38 GLN 0.061 0.021 2 0 "[ . 1]"
2 39 ALA 0.708 0.508 5 1 "[ + 1]"
2 40 MET 4.635 0.653 1 3 "[+ - *]"
2 41 ASP 1.071 0.215 9 0 "[ . 1]"
2 42 ASP 0.900 0.423 7 0 "[ . 1]"
2 43 LEU 4.620 0.991 9 2 "[ -. +1]"
2 44 MET 7.275 0.574 1 2 "[+ -. 1]"
2 45 LEU 10.748 0.556 4 1 "[ +. 1]"
2 46 SER 2.650 0.598 5 2 "[ - + 1]"
2 47 PRO 4.906 0.736 3 4 "[* + - *]"
2 48 ASP 1.304 0.598 5 2 "[ - + 1]"
2 49 ASP 3.127 0.736 3 2 "[ + - 1]"
2 50 ILE 6.404 0.467 4 0 "[ . 1]"
2 51 GLU 4.143 0.389 5 0 "[ . 1]"
2 52 GLN 1.411 0.389 5 0 "[ . 1]"
2 53 TRP 5.707 0.467 4 0 "[ . 1]"
2 54 PHE 5.615 0.467 4 0 "[ . 1]"
2 55 THR 1.268 0.301 7 0 "[ . 1]"
2 56 GLU 0.833 0.301 7 0 "[ . 1]"
2 57 ASP 0.775 0.527 2 1 "[ + . 1]"
2 58 PRO 0.765 0.527 2 1 "[ + . 1]"
2 59 GLY 0.630 0.260 7 0 "[ . 1]"
2 60 PRO 0.630 0.260 7 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 14 SER H 1 15 TYR H 3.100 . 4.300 2.742 2.599 2.824 . 0 0 "[ . 1]" 1
2 1 48 TRP H 1 48 TRP QB 2.700 . 3.600 2.233 2.206 2.259 . 0 0 "[ . 1]" 1
3 1 57 GLY HA2 1 60 GLU H 3.500 . 5.000 3.269 3.133 3.499 . 0 0 "[ . 1]" 1
4 1 23 ARG H 1 23 ARG HG3 3.900 . 5.800 4.516 4.175 4.634 . 0 0 "[ . 1]" 1
5 1 43 LYS H 1 44 CYS H 2.700 . 3.600 2.622 2.566 2.736 . 0 0 "[ . 1]" 1
6 1 66 ASP H 1 66 ASP QB 2.600 . 3.500 2.228 2.134 2.317 . 0 0 "[ . 1]" 1
7 1 32 ASP HA 1 33 ALA H 2.700 . 3.600 3.311 3.090 3.459 . 0 0 "[ . 1]" 1
8 1 21 THR H 1 22 CYS H 3.000 . 4.100 2.699 2.604 2.786 . 0 0 "[ . 1]" 1
9 1 59 PHE H 1 60 GLU H 2.600 . 3.500 2.537 2.445 2.603 . 0 0 "[ . 1]" 1
10 1 12 MET HA 1 13 SER H 2.600 . 3.400 2.366 2.117 2.871 . 0 0 "[ . 1]" 1
11 1 78 ILE H 1 78 ILE HA 2.700 . 3.600 2.935 2.918 2.945 . 0 0 "[ . 1]" 1
12 1 59 PHE H 1 59 PHE HB3 2.800 . 3.800 3.607 3.596 3.620 . 0 0 "[ . 1]" 1
13 1 83 GLU H 1 83 GLU HA 3.000 . 4.100 2.862 2.758 2.946 . 0 0 "[ . 1]" 1
14 1 40 PHE HB2 1 41 SER H 3.800 . 5.600 3.725 3.498 3.919 . 0 0 "[ . 1]" 1
15 1 61 ASP H 1 62 MET H 2.800 . 3.800 2.687 2.546 2.805 . 0 0 "[ . 1]" 1
16 1 36 ASN HB2 1 39 GLU H 3.500 . 5.000 3.176 2.579 4.058 . 0 0 "[ . 1]" 1
17 1 71 GLU H 1 71 GLU HA 2.900 . 3.900 2.781 2.746 2.834 . 0 0 "[ . 1]" 1
18 1 60 GLU H 1 60 GLU HB2 2.700 . 3.600 2.541 2.390 2.629 . 0 0 "[ . 1]" 1
19 1 77 TYR HB2 1 78 ILE H 3.800 . 5.600 4.293 4.158 4.442 . 0 0 "[ . 1]" 1
20 1 42 LYS H 1 43 LYS H 2.600 . 3.400 2.815 2.540 2.955 . 0 0 "[ . 1]" 1
21 1 36 ASN HB2 1 36 ASN HD21 2.800 . 3.700 2.880 2.192 3.522 . 0 0 "[ . 1]" 1
22 1 36 ASN HB2 1 36 ASN HD22 3.400 . 4.800 3.775 3.459 4.068 . 0 0 "[ . 1]" 1
23 1 74 MET H 1 74 MET QB 2.400 . 3.100 2.302 2.225 2.376 . 0 0 "[ . 1]" 1
24 1 5 PRO QD 1 6 LYS H 3.000 . 4.100 2.810 2.617 3.020 . 0 0 "[ . 1]" 1
25 1 67 LYS H 1 68 ALA H 2.700 . 3.600 2.808 2.599 2.974 . 0 0 "[ . 1]" 1
26 1 47 ARG H 1 48 TRP H 2.800 . 3.800 2.742 2.642 2.863 . 0 0 "[ . 1]" 1
27 1 7 LYS H 1 7 LYS QB 2.400 . 3.100 2.353 2.178 2.863 . 0 0 "[ . 1]" 1
28 1 69 ARG H 1 69 ARG HB3 3.200 . 4.400 2.665 2.322 3.604 . 0 0 "[ . 1]" 1
29 1 68 ALA H 1 68 ALA HA 2.700 . 3.600 2.847 2.814 2.878 . 0 0 "[ . 1]" 1
30 1 23 ARG HB3 1 24 GLU H 2.900 . 4.000 2.622 2.333 3.350 . 0 0 "[ . 1]" 1
31 1 33 ALA H 1 33 ALA MB 2.200 . 2.800 2.341 2.261 2.515 . 0 0 "[ . 1]" 1
32 1 63 ALA H 1 64 LYS H 2.800 . 3.800 2.660 2.498 2.813 . 0 0 "[ . 1]" 1
33 1 70 TYR H 1 71 GLU H 2.900 . 3.900 2.765 2.658 2.856 . 0 0 "[ . 1]" 1
34 1 49 LYS H 1 51 MET H 4.000 . 6.000 4.166 3.951 4.315 . 0 0 "[ . 1]" 1
35 1 65 ALA H 1 65 ALA MB 2.400 . 3.100 2.241 2.227 2.254 . 0 0 "[ . 1]" 1
36 1 55 GLU H 1 55 GLU QG 2.500 . 3.300 2.419 1.987 3.369 0.069 7 0 "[ . 1]" 1
37 1 78 ILE H 1 78 ILE MD 3.200 . 4.400 2.185 2.065 2.278 . 0 0 "[ . 1]" 1
38 1 69 ARG H 1 70 TYR QB 3.900 . 5.800 4.233 4.091 4.312 . 0 0 "[ . 1]" 1
39 1 69 ARG H 1 70 TYR H 2.800 . 3.800 2.603 2.532 2.660 . 0 0 "[ . 1]" 1
40 1 53 ALA H 1 53 ALA MB 2.900 . 4.000 2.234 2.225 2.251 . 0 0 "[ . 1]" 1
41 1 62 MET HG2 1 63 ALA H 4.000 . 6.000 4.541 2.532 5.058 . 0 0 "[ . 1]" 1
42 1 81 LYS H 1 81 LYS QB 2.200 . 2.800 2.561 2.246 2.945 0.145 5 0 "[ . 1]" 1
43 1 23 ARG H 1 24 GLU H 2.900 . 3.900 2.621 2.483 2.710 . 0 0 "[ . 1]" 1
44 1 81 LYS QB 1 82 GLY H 3.600 . 5.200 3.735 2.913 4.005 . 0 0 "[ . 1]" 1
45 1 9 ARG H 1 9 ARG HD2 3.900 . 5.800 4.994 4.503 5.761 . 0 0 "[ . 1]" 1
46 1 50 THR H 1 50 THR HB 3.400 . 4.800 3.606 2.912 3.774 . 0 0 "[ . 1]" 1
47 1 5 PRO HB3 1 6 LYS H 3.100 . 4.300 3.530 3.284 3.937 . 0 0 "[ . 1]" 1
48 1 50 THR H 1 51 MET H 2.400 . 3.100 2.475 2.318 2.625 . 0 0 "[ . 1]" 1
49 1 41 SER HA 1 44 CYS H 3.200 . 4.500 3.776 3.394 4.216 . 0 0 "[ . 1]" 1
50 1 32 ASP H 1 33 ALA H 2.300 . 3.000 2.448 2.281 2.608 . 0 0 "[ . 1]" 1
51 1 6 LYS H 1 7 LYS H 2.500 . 3.300 2.294 2.145 2.421 . 0 0 "[ . 1]" 1
52 1 29 LYS H 1 29 LYS HB3 3.100 . 4.300 3.596 3.477 3.640 . 0 0 "[ . 1]" 1
53 1 3 GLY QA 1 4 ASP H 2.500 . 3.300 2.298 2.160 2.577 . 0 0 "[ . 1]" 1
54 1 7 LYS H 1 7 LYS HG3 3.400 . 4.800 3.417 2.487 4.598 . 0 0 "[ . 1]" 1
55 1 78 ILE H 1 78 ILE HB 2.400 . 3.100 2.562 2.451 2.689 . 0 0 "[ . 1]" 1
56 1 76 THR MG 1 77 TYR H 4.200 . 6.000 3.966 2.015 4.367 . 0 0 "[ . 1]" 1
57 1 17 PHE H 1 17 PHE HB3 3.500 . 5.000 3.312 3.116 3.522 . 0 0 "[ . 1]" 1
58 1 56 LYS H 1 57 GLY H 2.700 . 3.600 2.710 2.532 2.849 . 0 0 "[ . 1]" 1
59 1 9 ARG HG2 1 10 GLY H 3.600 . 5.200 4.292 2.367 5.481 0.281 7 0 "[ . 1]" 1
60 1 49 LYS HA 1 51 MET H 3.500 . 5.000 3.919 3.740 4.150 . 0 0 "[ . 1]" 1
61 1 71 GLU H 1 71 GLU HB2 3.400 . 4.800 2.401 2.219 2.582 . 0 0 "[ . 1]" 1
62 1 9 ARG QB 1 10 GLY H 3.200 . 4.500 3.028 2.146 3.766 . 0 0 "[ . 1]" 1
63 1 51 MET HB3 1 52 SER H 3.400 . 4.900 3.057 2.141 3.731 . 0 0 "[ . 1]" 1
64 1 17 PHE QE 1 66 ASP H 4.000 . 6.000 4.255 3.712 4.632 . 0 0 "[ . 1]" 1
65 1 71 GLU H 1 72 ARG H 2.900 . 4.000 2.780 2.603 2.936 . 0 0 "[ . 1]" 1
66 1 17 PHE H 1 17 PHE HB2 2.600 . 3.400 2.128 2.079 2.223 . 0 0 "[ . 1]" 1
67 1 43 LYS H 1 43 LYS QE 4.400 . 4.500 3.908 3.484 4.457 . 0 0 "[ . 1]" 1
68 1 55 GLU QG 1 56 LYS H 4.100 . 6.000 4.083 3.790 4.507 . 0 0 "[ . 1]" 1
69 1 51 MET HA 1 52 SER H 2.400 . 3.100 2.335 2.250 2.501 . 0 0 "[ . 1]" 1
70 1 71 GLU HB2 1 72 ARG H 3.300 . 4.700 2.534 2.261 2.795 . 0 0 "[ . 1]" 1
71 1 68 ALA H 1 69 ARG H 2.700 . 3.600 2.575 2.404 2.800 . 0 0 "[ . 1]" 1
72 1 19 VAL QG 1 20 GLN H 4.400 . 6.000 3.053 2.280 3.301 . 0 0 "[ . 1]" 1
73 1 55 GLU H 1 57 GLY H 3.600 . 5.200 4.045 3.814 4.353 . 0 0 "[ . 1]" 1
74 1 82 GLY QA 1 83 GLU H 2.600 . 3.400 2.428 2.190 2.699 . 0 0 "[ . 1]" 1
75 1 28 LYS HB2 1 29 LYS H 2.300 . 3.000 2.693 2.316 3.766 0.766 5 1 "[ + 1]" 1
76 1 51 MET H 1 56 LYS QE 3.100 . 4.100 3.007 2.682 3.408 . 0 0 "[ . 1]" 1
77 1 34 SER H 1 34 SER QB 2.900 . 3.900 2.538 2.284 2.805 . 0 0 "[ . 1]" 1
78 1 61 ASP H 1 61 ASP HB2 2.600 . 3.500 2.597 2.445 2.740 . 0 0 "[ . 1]" 1
79 1 74 MET H 1 75 LYS H 2.600 . 3.400 2.616 2.525 2.779 . 0 0 "[ . 1]" 1
80 1 44 CYS H 1 45 SER H 2.800 . 3.800 2.561 2.350 2.668 . 0 0 "[ . 1]" 1
81 1 52 SER HA 1 54 LYS H 3.900 . 5.800 3.109 2.533 3.762 . 0 0 "[ . 1]" 1
82 1 36 ASN HD22 1 39 GLU HG2 4.700 . 6.000 5.426 4.836 6.060 0.060 4 0 "[ . 1]" 1
83 1 31 PRO HB3 1 32 ASP H 2.900 . 4.000 3.460 2.710 3.666 . 0 0 "[ . 1]" 1
84 1 68 ALA HA 1 72 ARG H 3.400 . 4.900 4.195 3.948 4.658 . 0 0 "[ . 1]" 1
85 1 23 ARG HA 1 27 LYS H 3.800 . 5.600 4.597 4.252 4.936 . 0 0 "[ . 1]" 1
86 1 76 THR HA 1 77 TYR H 2.700 . 3.600 3.165 3.040 3.305 . 0 0 "[ . 1]" 1
87 1 67 LYS H 1 67 LYS HB2 2.400 . 3.100 2.526 2.390 2.680 . 0 0 "[ . 1]" 1
88 1 35 VAL H 1 35 VAL QG 2.700 . 3.600 2.009 1.896 2.242 0.104 3 0 "[ . 1]" 1
89 1 75 LYS HG2 1 76 THR H 3.800 . 5.600 4.642 4.171 5.194 . 0 0 "[ . 1]" 1
90 1 62 MET H 1 62 MET HG3 2.900 . 3.900 2.590 2.324 3.546 . 0 0 "[ . 1]" 1
91 1 48 TRP QB 1 49 LYS H 2.900 . 4.000 2.547 2.439 2.635 . 0 0 "[ . 1]" 1
92 1 8 PRO HB3 1 9 ARG H 3.300 . 4.700 3.173 2.536 3.612 . 0 0 "[ . 1]" 1
93 1 67 LYS H 1 67 LYS QD 3.600 . 5.200 4.354 4.038 4.772 . 0 0 "[ . 1]" 1
94 1 58 LYS H 1 58 LYS QD 4.400 . 6.000 4.611 4.363 4.785 . 0 0 "[ . 1]" 1
95 1 29 LYS HB2 1 30 HIS H 2.600 . 3.400 3.009 2.558 3.458 0.058 5 0 "[ . 1]" 1
96 1 46 GLU H 1 46 GLU HG3 3.100 . 4.300 2.060 1.891 2.219 0.009 4 0 "[ . 1]" 1
97 1 20 GLN QG 1 21 THR H 3.300 . 4.700 3.467 3.225 3.928 . 0 0 "[ . 1]" 1
98 1 26 HIS H 1 27 LYS H 2.700 . 3.600 2.622 2.434 2.729 . 0 0 "[ . 1]" 1
99 1 83 GLU H 1 83 GLU HB2 3.200 . 4.500 2.907 2.352 4.062 . 0 0 "[ . 1]" 1
100 1 43 LYS QB 1 44 CYS H 2.600 . 3.500 3.387 2.401 3.584 0.084 5 0 "[ . 1]" 1
101 1 41 SER H 1 42 LYS H 2.700 . 3.600 2.705 2.535 2.823 . 0 0 "[ . 1]" 1
102 1 62 MET H 1 62 MET ME 4.200 . 6.000 3.577 3.338 3.715 . 0 0 "[ . 1]" 1
103 1 52 SER H 1 52 SER HB3 3.100 . 4.300 3.253 2.487 3.646 . 0 0 "[ . 1]" 1
104 1 65 ALA H 1 66 ASP H 2.600 . 3.500 2.700 2.556 2.844 . 0 0 "[ . 1]" 1
105 1 50 THR H 1 50 THR HA 2.800 . 3.700 2.928 2.885 2.952 . 0 0 "[ . 1]" 1
106 1 17 PHE H 1 17 PHE QE 4.400 . 6.000 5.309 4.640 5.793 . 0 0 "[ . 1]" 1
107 1 22 CYS H 1 22 CYS HB2 2.900 . 4.000 2.871 2.477 3.634 . 0 0 "[ . 1]" 1
108 1 26 HIS HB2 1 27 LYS H 3.900 . 5.800 3.957 3.791 4.074 . 0 0 "[ . 1]" 1
109 1 80 PRO HB3 1 81 LYS H 3.200 . 4.500 3.535 3.087 4.243 . 0 0 "[ . 1]" 1
110 1 20 GLN QB 1 21 THR H 3.100 . 4.300 2.374 2.135 2.610 . 0 0 "[ . 1]" 1
111 1 55 GLU H 1 55 GLU HB2 2.600 . 3.400 2.466 2.287 2.617 . 0 0 "[ . 1]" 1
112 1 15 TYR H 1 15 TYR QD 4.400 . 6.000 4.115 4.077 4.159 . 0 0 "[ . 1]" 1
113 1 57 GLY HA2 1 58 LYS H 3.800 . 5.600 3.510 3.493 3.535 . 0 0 "[ . 1]" 1
114 1 40 PHE QD 1 41 SER H 3.800 . 5.600 3.746 3.162 3.989 . 0 0 "[ . 1]" 1
115 1 31 PRO HB2 1 32 ASP H 3.200 . 4.500 3.123 2.658 3.560 . 0 0 "[ . 1]" 1
116 1 66 ASP H 1 67 LYS H 2.600 . 3.500 2.534 2.423 2.742 . 0 0 "[ . 1]" 1
117 1 59 PHE H 1 59 PHE QD 3.000 . 4.200 2.649 2.148 3.197 . 0 0 "[ . 1]" 1
118 1 81 LYS H 1 81 LYS QG 3.400 . 4.800 3.512 2.063 4.471 . 0 0 "[ . 1]" 1
119 1 11 LYS H 1 11 LYS QB 2.700 . 3.600 2.538 2.339 3.090 . 0 0 "[ . 1]" 1
120 1 11 LYS H 1 11 LYS HG3 3.100 . 4.300 2.973 2.465 4.032 . 0 0 "[ . 1]" 1
121 1 51 MET H 1 52 SER H 4.100 . 6.000 4.578 4.530 4.636 . 0 0 "[ . 1]" 1
122 1 35 VAL H 1 35 VAL HB 2.900 . 4.000 3.730 3.648 3.906 . 0 0 "[ . 1]" 1
123 1 36 ASN H 1 36 ASN HB2 3.100 . 4.300 2.471 2.316 2.656 . 0 0 "[ . 1]" 1
124 1 52 SER H 1 52 SER HA 2.600 . 3.400 2.504 2.365 2.779 . 0 0 "[ . 1]" 1
125 1 29 LYS H 1 30 HIS H 2.400 . 3.100 2.426 2.170 2.730 . 0 0 "[ . 1]" 1
126 1 78 ILE H 1 78 ILE HG13 3.200 . 4.500 3.668 3.594 3.765 . 0 0 "[ . 1]" 1
127 1 62 MET H 1 62 MET HA 3.000 . 4.100 2.838 2.816 2.876 . 0 0 "[ . 1]" 1
128 1 58 LYS HB2 1 59 PHE H 4.400 . 6.000 3.884 3.795 3.952 . 0 0 "[ . 1]" 1
129 1 66 ASP HA 1 69 ARG H 3.300 . 4.600 3.172 2.884 3.429 . 0 0 "[ . 1]" 1
130 1 33 ALA H 1 33 ALA HA 2.600 . 3.400 2.912 2.852 2.943 . 0 0 "[ . 1]" 1
131 1 11 LYS H 1 11 LYS HG2 3.100 . 4.300 3.180 1.984 3.961 . 0 0 "[ . 1]" 1
132 1 49 LYS H 1 50 THR H 2.700 . 3.600 2.664 2.560 2.798 . 0 0 "[ . 1]" 1
133 1 21 THR H 1 21 THR HB 2.900 . 3.900 2.574 2.461 2.648 . 0 0 "[ . 1]" 1
134 1 20 GLN HE21 1 20 GLN QG 3.000 . 4.200 2.328 2.174 2.806 . 0 0 "[ . 1]" 1
135 1 56 LYS HB2 1 57 GLY H 3.100 . 4.300 2.592 2.404 2.762 . 0 0 "[ . 1]" 1
136 1 17 PHE H 1 18 PHE H 3.000 . 4.100 2.628 2.573 2.729 . 0 0 "[ . 1]" 1
137 1 10 GLY H 1 11 LYS H 3.300 . 4.700 4.165 3.278 4.524 . 0 0 "[ . 1]" 1
138 1 51 MET QG 1 52 SER H 3.000 . 4.100 2.912 1.866 3.716 0.034 3 0 "[ . 1]" 1
139 1 6 LYS HA 1 7 LYS H 2.300 . 2.900 3.002 2.895 3.094 0.194 5 0 "[ . 1]" 1
140 1 31 PRO HD2 1 32 ASP H 3.000 . 4.100 2.501 2.211 2.912 . 0 0 "[ . 1]" 1
141 1 39 GLU H 1 39 GLU QB 2.600 . 3.400 2.410 2.139 2.593 . 0 0 "[ . 1]" 1
142 1 36 ASN HB3 1 39 GLU H 3.100 . 4.300 2.841 2.374 3.128 . 0 0 "[ . 1]" 1
143 1 75 LYS H 1 75 LYS HD3 2.800 . 3.800 2.871 2.126 4.074 0.274 3 0 "[ . 1]" 1
144 1 34 SER QB 1 35 VAL H 3.400 . 4.800 3.127 1.969 3.785 0.031 7 0 "[ . 1]" 1
145 1 62 MET HG3 1 63 ALA H 3.600 . 5.200 4.056 2.658 4.456 . 0 0 "[ . 1]" 1
146 1 55 GLU H 1 55 GLU QB 2.700 . 3.600 2.424 2.261 2.556 . 0 0 "[ . 1]" 1
147 1 17 PHE H 1 17 PHE HA 2.900 . 4.000 2.819 2.795 2.843 . 0 0 "[ . 1]" 1
148 1 30 HIS HA 1 32 ASP H 3.400 . 4.800 3.363 3.005 3.657 . 0 0 "[ . 1]" 1
149 1 54 LYS H 1 55 GLU H 3.100 . 4.300 2.740 2.544 2.858 . 0 0 "[ . 1]" 1
150 1 9 ARG H 1 9 ARG HA 2.900 . 4.000 2.864 2.740 2.953 . 0 0 "[ . 1]" 1
151 1 68 ALA HA 1 69 ARG H 3.500 . 5.000 3.524 3.464 3.587 . 0 0 "[ . 1]" 1
152 1 29 LYS HG3 1 30 HIS H 4.300 . 6.000 4.431 4.147 4.913 . 0 0 "[ . 1]" 1
153 1 20 GLN HE22 1 20 GLN QG 2.500 . 3.300 3.327 3.267 3.487 0.187 3 0 "[ . 1]" 1
154 1 20 GLN H 1 20 GLN QB 2.900 . 3.900 2.236 2.196 2.308 . 0 0 "[ . 1]" 1
155 1 52 SER HA 1 55 GLU H 3.600 . 5.200 3.177 2.589 4.406 . 0 0 "[ . 1]" 1
156 1 75 LYS H 1 75 LYS HG3 3.700 . 5.400 3.997 3.659 4.510 . 0 0 "[ . 1]" 1
157 1 69 ARG H 1 69 ARG HB2 2.500 . 3.300 2.620 2.384 3.636 0.336 10 0 "[ . 1]" 1
158 1 30 HIS H 1 31 PRO HD2 3.700 . 5.500 4.683 4.180 4.909 . 0 0 "[ . 1]" 1
159 1 48 TRP H 1 49 LYS H 2.800 . 3.800 2.782 2.646 2.901 . 0 0 "[ . 1]" 1
160 1 16 ALA H 1 17 PHE H 2.900 . 3.900 2.531 2.434 2.591 . 0 0 "[ . 1]" 1
161 1 50 THR H 1 51 MET QG 4.200 . 6.000 4.703 3.463 5.870 . 0 0 "[ . 1]" 1
162 1 43 LYS H 1 45 SER H 3.800 . 5.600 4.126 3.970 4.240 . 0 0 "[ . 1]" 1
163 1 44 CYS H 1 44 CYS HB2 2.800 . 3.800 2.440 2.392 2.491 . 0 0 "[ . 1]" 1
164 1 43 LYS HG3 1 44 CYS H 3.200 . 4.500 2.622 1.843 3.933 0.057 7 0 "[ . 1]" 1
165 1 10 GLY QA 1 11 LYS H 2.700 . 3.600 2.185 2.074 2.294 . 0 0 "[ . 1]" 1
166 1 41 SER H 1 42 LYS HB3 4.100 . 6.000 5.135 4.708 6.113 0.113 8 0 "[ . 1]" 1
167 1 28 LYS H 1 28 LYS HG2 3.600 . 5.200 3.449 2.096 4.463 . 0 0 "[ . 1]" 1
168 1 56 LYS H 1 56 LYS QD 4.000 . 6.000 3.757 3.619 3.965 . 0 0 "[ . 1]" 1
169 1 70 TYR H 1 70 TYR QB 2.800 . 3.800 2.190 2.140 2.218 . 0 0 "[ . 1]" 1
170 1 52 SER HA 1 53 ALA H 2.800 . 3.800 2.276 2.173 2.481 . 0 0 "[ . 1]" 1
171 1 36 ASN HB3 1 36 ASN HD21 2.900 . 3.900 3.054 2.195 3.491 . 0 0 "[ . 1]" 1
172 1 64 LYS HD3 1 65 ALA H 3.200 . 4.500 3.668 2.394 4.720 0.220 1 0 "[ . 1]" 1
173 1 7 LYS H 1 7 LYS HB2 2.300 . 2.900 2.517 2.216 3.726 0.826 5 1 "[ + 1]" 1
174 1 26 HIS HA 1 27 LYS H 3.500 . 5.000 3.513 3.451 3.550 . 0 0 "[ . 1]" 1
175 1 25 GLU HB3 1 27 LYS H 3.900 . 5.800 4.970 4.623 5.338 . 0 0 "[ . 1]" 1
176 1 23 ARG HA 1 24 GLU H 3.500 . 5.000 3.527 3.461 3.584 . 0 0 "[ . 1]" 1
177 1 30 HIS H 1 31 PRO HD3 3.200 . 4.400 3.428 3.249 3.607 . 0 0 "[ . 1]" 1
178 1 51 MET H 1 51 MET QG 3.300 . 4.700 3.324 2.567 4.058 . 0 0 "[ . 1]" 1
179 1 29 LYS H 1 29 LYS QE 4.600 . 6.000 4.111 3.189 5.182 . 0 0 "[ . 1]" 1
180 1 54 LYS H 1 54 LYS QD 3.500 . 5.100 3.773 2.397 4.790 . 0 0 "[ . 1]" 1
181 1 27 LYS H 1 28 LYS H 2.500 . 3.300 2.495 2.328 2.787 . 0 0 "[ . 1]" 1
182 1 71 GLU HA 1 72 ARG H 3.500 . 5.100 3.548 3.511 3.578 . 0 0 "[ . 1]" 1
183 1 77 TYR H 1 77 TYR HB2 2.500 . 3.300 2.831 2.651 2.977 . 0 0 "[ . 1]" 1
184 1 36 ASN H 1 36 ASN HB3 4.000 . 6.000 3.506 2.430 3.672 . 0 0 "[ . 1]" 1
185 1 57 GLY H 1 57 GLY HA3 2.300 . 3.000 2.295 2.287 2.303 . 0 0 "[ . 1]" 1
186 1 72 ARG H 1 72 ARG HG2 2.900 . 4.000 2.935 2.067 4.250 0.250 1 0 "[ . 1]" 1
187 1 8 PRO HB2 1 9 ARG H 3.300 . 4.600 3.001 2.465 3.761 . 0 0 "[ . 1]" 1
188 1 56 LYS H 1 56 LYS HG2 3.600 . 5.200 3.496 3.185 3.718 . 0 0 "[ . 1]" 1
189 1 75 LYS H 1 75 LYS QB 2.200 . 2.800 2.347 2.153 2.526 . 0 0 "[ . 1]" 1
190 1 15 TYR HA 1 18 PHE H 3.500 . 5.000 3.735 3.586 3.862 . 0 0 "[ . 1]" 1
191 1 20 GLN HA 1 21 THR H 3.600 . 5.200 3.576 3.560 3.592 . 0 0 "[ . 1]" 1
192 1 49 LYS HA 1 50 THR H 3.200 . 4.500 3.470 3.415 3.541 . 0 0 "[ . 1]" 1
193 1 36 ASN HD21 1 39 GLU HG2 3.900 . 5.800 4.758 3.664 5.819 0.019 4 0 "[ . 1]" 1
194 1 83 GLU H 1 83 GLU QB 2.700 . 3.600 2.649 2.323 3.351 . 0 0 "[ . 1]" 1
195 1 42 LYS H 1 42 LYS HB3 2.300 . 3.000 2.663 2.352 3.620 0.620 8 1 "[ . + 1]" 1
196 1 74 MET H 1 74 MET HA 2.800 . 3.800 2.824 2.774 2.858 . 0 0 "[ . 1]" 1
197 1 73 GLU H 1 73 GLU QG 3.800 . 5.600 3.807 2.004 4.084 . 0 0 "[ . 1]" 1
198 1 47 ARG HB2 1 48 TRP H 3.500 . 5.000 3.514 2.477 3.829 . 0 0 "[ . 1]" 1
199 1 24 GLU H 1 24 GLU HB2 2.700 . 3.600 2.644 2.517 2.871 . 0 0 "[ . 1]" 1
200 1 26 HIS H 1 27 LYS QB 4.100 . 6.000 4.462 4.175 4.668 . 0 0 "[ . 1]" 1
201 1 42 LYS H 1 42 LYS QD 3.800 . 5.600 3.731 2.208 4.073 . 0 0 "[ . 1]" 1
202 1 77 TYR H 1 78 ILE H 4.100 . 6.000 4.321 3.867 4.477 . 0 0 "[ . 1]" 1
203 1 32 ASP H 1 32 ASP HB2 2.700 . 3.600 2.968 2.425 3.629 0.029 9 0 "[ . 1]" 1
204 1 37 PHE HA 1 38 SER H 3.200 . 4.500 3.560 3.535 3.583 . 0 0 "[ . 1]" 1
205 1 43 LYS H 1 43 LYS HG2 2.700 . 3.600 2.174 1.791 3.109 0.009 8 0 "[ . 1]" 1
206 1 22 CYS HB2 1 23 ARG H 3.600 . 5.300 3.092 2.528 3.822 . 0 0 "[ . 1]" 1
207 1 7 LYS H 1 7 LYS HA 2.700 . 3.600 2.909 2.829 2.935 . 0 0 "[ . 1]" 1
208 1 39 GLU H 1 40 PHE H 2.800 . 3.800 2.738 2.499 2.932 . 0 0 "[ . 1]" 1
209 1 9 ARG H 1 10 GLY H 3.400 . 4.800 2.621 2.309 2.940 . 0 0 "[ . 1]" 1
210 1 44 CYS H 1 44 CYS HB3 3.300 . 4.700 3.603 3.579 3.650 . 0 0 "[ . 1]" 1
211 1 15 TYR HB2 1 48 TRP HE1 3.200 . 4.500 4.170 3.459 4.549 0.049 6 0 "[ . 1]" 1
212 1 29 LYS HB3 1 30 HIS H 3.300 . 4.700 3.901 3.664 4.227 . 0 0 "[ . 1]" 1
213 1 22 CYS HB3 1 23 ARG H 3.200 . 4.500 3.737 2.526 4.106 . 0 0 "[ . 1]" 1
214 1 31 PRO HD3 1 32 ASP H 3.800 . 5.600 3.726 3.604 4.022 . 0 0 "[ . 1]" 1
215 1 5 PRO HB2 1 6 LYS H 3.200 . 4.500 4.064 3.578 4.168 . 0 0 "[ . 1]" 1
216 1 64 LYS H 1 65 ALA H 2.700 . 3.600 2.564 2.429 2.678 . 0 0 "[ . 1]" 1
217 1 70 TYR HB3 1 71 GLU H 2.800 . 3.800 2.478 2.361 2.680 . 0 0 "[ . 1]" 1
218 1 9 ARG H 1 9 ARG HG2 3.500 . 5.000 4.119 2.083 4.677 . 0 0 "[ . 1]" 1
219 1 11 LYS H 1 11 LYS HB3 3.200 . 4.500 3.369 2.596 3.545 . 0 0 "[ . 1]" 1
220 1 58 LYS H 1 58 LYS HB3 2.400 . 3.100 2.405 2.226 2.560 . 0 0 "[ . 1]" 1
221 1 55 GLU H 1 56 LYS H 2.700 . 3.600 2.573 2.441 2.747 . 0 0 "[ . 1]" 1
222 1 51 MET H 1 51 MET HB2 2.600 . 3.400 2.524 2.338 2.775 . 0 0 "[ . 1]" 1
223 1 34 SER HA 1 35 VAL H 2.200 . 2.800 2.337 2.155 2.824 0.024 1 0 "[ . 1]" 1
224 1 59 PHE HB3 1 60 GLU H 3.400 . 4.900 3.822 3.683 4.012 . 0 0 "[ . 1]" 1
225 1 78 ILE H 1 79 PRO HD3 4.000 . 6.000 4.125 3.888 4.292 . 0 0 "[ . 1]" 1
226 1 41 SER HA 1 42 LYS H 2.900 . 3.900 2.732 2.507 3.023 . 0 0 "[ . 1]" 1
227 1 75 LYS HA 1 76 THR H 3.200 . 4.400 3.478 3.388 3.527 . 0 0 "[ . 1]" 1
228 1 19 VAL QG 1 23 ARG H 3.800 . 5.600 3.863 3.552 4.129 . 0 0 "[ . 1]" 1
229 1 15 TYR QE 1 48 TRP HE1 4.100 . 6.000 4.160 3.296 4.677 . 0 0 "[ . 1]" 1
230 1 70 TYR H 1 70 TYR HA 2.800 . 3.800 2.774 2.728 2.812 . 0 0 "[ . 1]" 1
231 1 18 PHE HA 1 21 THR H 3.800 . 5.600 3.984 3.866 4.120 . 0 0 "[ . 1]" 1
232 1 45 SER H 1 45 SER HA 2.900 . 4.000 2.807 2.773 2.824 . 0 0 "[ . 1]" 1
233 1 26 HIS H 1 26 HIS HA 2.800 . 3.800 2.820 2.796 2.866 . 0 0 "[ . 1]" 1
234 1 22 CYS H 1 22 CYS HB3 3.200 . 4.500 3.268 2.560 3.634 . 0 0 "[ . 1]" 1
235 1 28 LYS H 1 28 LYS QD 3.700 . 5.400 3.721 2.738 4.672 . 0 0 "[ . 1]" 1
236 1 14 SER H 1 14 SER HA 3.000 . 4.200 2.777 2.764 2.810 . 0 0 "[ . 1]" 1
237 1 73 GLU H 1 73 GLU HA 2.900 . 3.900 2.836 2.793 2.889 . 0 0 "[ . 1]" 1
238 1 51 MET H 1 51 MET HB3 2.700 . 3.600 3.117 2.574 3.644 0.044 1 0 "[ . 1]" 1
239 1 77 TYR H 1 77 TYR HB3 2.500 . 3.300 2.562 2.313 3.386 0.086 9 0 "[ . 1]" 1
240 1 62 MET H 1 63 ALA H 2.700 . 3.600 2.556 2.419 2.645 . 0 0 "[ . 1]" 1
241 1 56 LYS HB3 1 57 GLY H 3.800 . 5.600 3.571 3.357 3.677 . 0 0 "[ . 1]" 1
242 1 49 LYS QB 1 50 THR H 2.900 . 3.900 2.869 2.505 3.100 . 0 0 "[ . 1]" 1
243 1 47 ARG H 1 47 ARG QG 3.200 . 4.500 3.684 2.422 3.981 . 0 0 "[ . 1]" 1
244 1 19 VAL H 1 20 GLN H 3.100 . 4.300 2.592 2.494 2.712 . 0 0 "[ . 1]" 1
245 1 26 HIS H 1 26 HIS HB2 2.800 . 3.800 2.514 2.365 2.665 . 0 0 "[ . 1]" 1
246 1 24 GLU H 1 24 GLU HB3 2.500 . 3.300 2.410 2.309 2.496 . 0 0 "[ . 1]" 1
247 1 11 LYS HA 1 12 MET H 2.800 . 3.800 3.075 2.919 3.533 . 0 0 "[ . 1]" 1
248 1 77 TYR HA 1 78 ILE H 2.100 . 2.700 2.130 2.097 2.150 . 0 0 "[ . 1]" 1
249 1 71 GLU H 1 71 GLU HB3 2.600 . 3.400 3.530 3.502 3.560 0.160 8 0 "[ . 1]" 1
250 1 57 GLY H 1 57 GLY HA2 3.000 . 4.100 2.816 2.796 2.841 . 0 0 "[ . 1]" 1
251 1 12 MET H 1 12 MET HG2 3.500 . 5.000 3.170 2.887 3.643 . 0 0 "[ . 1]" 1
252 1 75 LYS H 1 75 LYS HA 2.500 . 3.300 2.840 2.788 2.876 . 0 0 "[ . 1]" 1
253 1 36 ASN HD21 1 39 GLU QB 4.300 . 6.000 4.136 2.313 5.324 . 0 0 "[ . 1]" 1
254 1 18 PHE HA 1 19 VAL H 3.800 . 5.600 3.560 3.546 3.585 . 0 0 "[ . 1]" 1
255 1 81 LYS H 1 81 LYS HA 2.500 . 3.300 2.693 2.244 2.948 . 0 0 "[ . 1]" 1
256 1 40 PHE HB3 1 41 SER H 2.800 . 3.800 2.517 2.310 2.693 . 0 0 "[ . 1]" 1
257 1 37 PHE QB 1 38 SER H 3.600 . 5.200 2.451 2.293 2.594 . 0 0 "[ . 1]" 1
258 1 72 ARG H 1 72 ARG HA 2.600 . 3.400 2.832 2.780 2.887 . 0 0 "[ . 1]" 1
259 1 18 PHE H 1 18 PHE HB2 3.500 . 5.000 2.700 2.539 3.026 . 0 0 "[ . 1]" 1
260 1 73 GLU H 1 74 MET QB 3.800 . 5.700 4.463 4.125 4.799 . 0 0 "[ . 1]" 1
261 1 76 THR H 1 77 TYR H 2.400 . 3.100 2.277 2.006 2.594 . 0 0 "[ . 1]" 1
262 1 65 ALA H 1 66 ASP QB 4.400 . 6.000 4.497 4.295 4.637 . 0 0 "[ . 1]" 1
263 1 14 SER HA 1 17 PHE H 4.000 . 6.000 3.336 3.134 3.684 . 0 0 "[ . 1]" 1
264 1 67 LYS HB2 1 68 ALA H 3.400 . 4.900 3.853 3.728 3.968 . 0 0 "[ . 1]" 1
265 1 49 LYS H 1 49 LYS QD 3.000 . 4.100 2.974 2.812 3.128 . 0 0 "[ . 1]" 1
266 1 33 ALA MB 1 34 SER H 3.000 . 4.100 3.240 2.444 3.600 . 0 0 "[ . 1]" 1
267 1 11 LYS H 1 12 MET H 3.400 . 4.800 2.684 2.169 3.542 . 0 0 "[ . 1]" 1
268 1 8 PRO HA 1 9 ARG H 2.400 . 3.100 2.383 2.181 2.698 . 0 0 "[ . 1]" 1
269 1 35 VAL HA 1 36 ASN H 2.800 . 3.800 2.280 2.168 2.434 . 0 0 "[ . 1]" 1
270 1 60 GLU HB2 1 61 ASP H 3.600 . 5.200 3.885 3.715 3.949 . 0 0 "[ . 1]" 1
271 1 62 MET HA 1 63 ALA H 3.500 . 5.000 3.496 3.466 3.518 . 0 0 "[ . 1]" 1
272 1 64 LYS HA 1 65 ALA H 3.300 . 4.700 3.488 3.439 3.528 . 0 0 "[ . 1]" 1
273 1 23 ARG H 1 40 PHE HZ 3.500 . 5.000 3.114 2.632 4.509 . 0 0 "[ . 1]" 1
274 1 58 LYS H 1 58 LYS QG 4.000 . 6.000 3.952 3.888 3.976 . 0 0 "[ . 1]" 1
275 1 26 HIS HB3 1 27 LYS H 2.900 . 4.000 2.774 2.501 2.993 . 0 0 "[ . 1]" 1
276 1 76 THR H 1 77 TYR HB2 4.400 . 6.000 4.431 4.224 4.874 . 0 0 "[ . 1]" 1
277 1 18 PHE H 1 19 VAL H 3.100 . 4.300 2.868 2.805 2.976 . 0 0 "[ . 1]" 1
278 1 71 GLU H 1 71 GLU HG3 2.700 . 3.600 2.639 1.954 3.663 0.063 2 0 "[ . 1]" 1
279 1 52 SER H 1 55 GLU H 3.800 . 5.600 4.284 3.791 4.951 . 0 0 "[ . 1]" 1
280 1 16 ALA H 1 16 ALA MB 2.600 . 3.400 2.262 2.239 2.288 . 0 0 "[ . 1]" 1
281 1 68 ALA H 1 70 TYR H 4.000 . 6.000 4.038 3.916 4.180 . 0 0 "[ . 1]" 1
282 1 58 LYS H 1 59 PHE H 3.000 . 4.100 2.752 2.666 2.878 . 0 0 "[ . 1]" 1
283 1 55 GLU HB2 1 56 LYS H 2.900 . 3.900 2.602 2.372 2.785 . 0 0 "[ . 1]" 1
284 1 11 LYS H 1 11 LYS HA 2.900 . 3.900 2.858 2.396 2.951 . 0 0 "[ . 1]" 1
285 1 75 LYS QB 1 76 THR H 2.800 . 3.800 2.830 2.637 3.152 . 0 0 "[ . 1]" 1
286 1 4 ASP H 1 4 ASP HB2 2.600 . 3.400 3.048 2.558 3.728 0.328 4 0 "[ . 1]" 1
287 1 45 SER H 1 45 SER QB 2.400 . 3.100 2.413 2.241 2.632 . 0 0 "[ . 1]" 1
288 1 63 ALA H 1 64 LYS QB 4.500 . 6.000 4.755 4.432 5.006 . 0 0 "[ . 1]" 1
289 1 23 ARG H 1 23 ARG HB3 2.900 . 4.000 2.383 2.091 2.793 . 0 0 "[ . 1]" 1
290 1 7 LYS H 1 8 PRO HD2 4.300 . 6.000 5.047 4.608 5.349 . 0 0 "[ . 1]" 1
291 1 59 PHE H 1 59 PHE HA 2.900 . 3.900 2.844 2.827 2.873 . 0 0 "[ . 1]" 1
292 1 39 GLU H 1 39 GLU HA 2.500 . 3.300 2.815 2.769 2.881 . 0 0 "[ . 1]" 1
293 1 15 TYR QB 1 16 ALA H 2.700 . 3.600 2.323 2.076 2.551 . 0 0 "[ . 1]" 1
294 1 6 LYS QB 1 7 LYS H 3.200 . 4.500 3.646 3.512 3.788 . 0 0 "[ . 1]" 1
295 1 7 LYS H 1 7 LYS HG2 3.800 . 5.600 3.882 1.995 4.620 0.005 5 0 "[ . 1]" 1
296 1 82 GLY H 1 82 GLY QA 2.500 . 3.300 2.392 2.206 2.495 . 0 0 "[ . 1]" 1
297 1 67 LYS QD 1 68 ALA H 3.800 . 5.600 3.852 2.712 5.145 . 0 0 "[ . 1]" 1
298 1 17 PHE HA 1 20 GLN HE21 3.900 . 5.800 3.913 1.484 5.735 0.516 3 1 "[ + . 1]" 1
299 1 4 ASP H 1 4 ASP HB3 3.000 . 4.100 3.222 2.487 4.028 . 0 0 "[ . 1]" 1
300 1 7 LYS H 1 7 LYS HB3 2.900 . 4.000 3.188 2.496 3.502 . 0 0 "[ . 1]" 1
301 1 9 ARG HA 1 10 GLY H 2.600 . 3.400 3.387 2.975 3.547 0.147 9 0 "[ . 1]" 1
302 1 27 LYS H 1 27 LYS QB 2.300 . 3.000 2.282 2.184 2.411 . 0 0 "[ . 1]" 1
303 1 73 GLU HA 1 76 THR H 3.400 . 4.900 3.426 3.122 4.047 . 0 0 "[ . 1]" 1
304 1 20 GLN H 1 20 GLN QG 3.400 . 4.800 3.962 3.929 4.001 . 0 0 "[ . 1]" 1
305 1 57 GLY H 1 60 GLU HB2 3.900 . 5.800 5.218 4.867 5.436 . 0 0 "[ . 1]" 1
306 1 35 VAL H 1 35 VAL HA 2.900 . 4.000 2.895 2.836 2.948 . 0 0 "[ . 1]" 1
307 1 19 VAL HB 1 20 GLN H 3.100 . 4.300 2.762 2.447 3.947 . 0 0 "[ . 1]" 1
308 1 26 HIS H 1 26 HIS HB3 2.500 . 3.300 2.533 2.395 2.667 . 0 0 "[ . 1]" 1
309 1 40 PHE H 1 40 PHE QD 4.700 . 6.000 4.110 4.029 4.177 . 0 0 "[ . 1]" 1
310 1 56 LYS H 1 56 LYS HB2 2.600 . 3.400 2.465 2.389 2.610 . 0 0 "[ . 1]" 1
311 1 58 LYS QG 1 59 PHE H 3.600 . 5.200 3.316 2.895 3.688 . 0 0 "[ . 1]" 1
312 1 30 HIS H 1 31 PRO HB3 3.300 . 4.600 4.575 4.344 4.719 0.119 5 0 "[ . 1]" 1
313 1 46 GLU H 1 46 GLU QB 2.500 . 3.300 2.502 2.435 2.561 . 0 0 "[ . 1]" 1
314 1 29 LYS H 1 29 LYS HB2 2.400 . 3.100 2.397 2.171 2.498 . 0 0 "[ . 1]" 1
315 1 30 HIS H 1 30 HIS HB2 2.900 . 3.900 2.692 2.548 2.904 . 0 0 "[ . 1]" 1
316 1 20 GLN HE22 2 45 LEU QD 3.700 . 5.400 4.632 3.300 5.441 0.041 1 0 "[ . 1]" 1
317 1 20 GLN HE21 2 45 LEU QD 3.100 . 4.300 3.691 3.082 4.272 . 0 0 "[ . 1]" 1
318 1 12 MET H 1 12 MET HB3 3.800 . 5.600 3.658 3.577 3.900 . 0 0 "[ . 1]" 1
319 1 13 SER HA 1 14 SER H 2.600 . 3.500 2.493 2.296 2.703 . 0 0 "[ . 1]" 1
320 1 15 TYR H 1 15 TYR QB 2.500 . 3.300 2.146 2.091 2.226 . 0 0 "[ . 1]" 1
321 1 81 LYS HA 1 82 GLY H 2.300 . 2.900 2.265 2.110 2.883 . 0 0 "[ . 1]" 1
322 1 62 MET H 1 62 MET HB2 3.000 . 4.100 2.700 2.435 3.621 . 0 0 "[ . 1]" 1
323 1 55 GLU QB 1 56 LYS H 2.900 . 4.000 2.543 2.340 2.719 . 0 0 "[ . 1]" 1
324 1 72 ARG H 1 73 GLU H 2.700 . 3.600 2.624 2.376 2.842 . 0 0 "[ . 1]" 1
325 1 54 LYS H 1 54 LYS QB 3.000 . 4.100 2.331 2.168 2.582 . 0 0 "[ . 1]" 1
326 1 60 GLU H 1 60 GLU HB3 3.000 . 4.100 2.527 2.397 2.648 . 0 0 "[ . 1]" 1
327 1 51 MET HB2 1 52 SER H 3.700 . 5.400 3.600 3.328 3.809 . 0 0 "[ . 1]" 1
328 1 76 THR H 1 76 THR HA 2.600 . 3.500 2.797 2.702 2.841 . 0 0 "[ . 1]" 1
329 1 75 LYS H 1 76 THR H 2.600 . 3.400 2.547 2.416 2.652 . 0 0 "[ . 1]" 1
330 1 12 MET ME 1 20 GLN HE21 3.600 . 5.200 2.461 1.981 3.426 0.019 7 0 "[ . 1]" 1
331 1 51 MET H 1 51 MET HA 2.800 . 3.800 2.901 2.855 2.943 . 0 0 "[ . 1]" 1
332 1 73 GLU HA 1 75 LYS H 3.500 . 5.000 4.055 3.741 4.336 . 0 0 "[ . 1]" 1
333 1 67 LYS H 1 67 LYS HA 2.800 . 3.800 2.783 2.732 2.837 . 0 0 "[ . 1]" 1
334 1 41 SER HA 1 43 LYS H 3.500 . 5.000 4.773 4.545 5.003 0.003 4 0 "[ . 1]" 1
335 1 23 ARG H 1 23 ARG HB2 3.000 . 4.100 2.697 2.181 3.262 . 0 0 "[ . 1]" 1
336 1 67 LYS HB3 1 68 ALA H 2.500 . 3.300 2.511 2.379 2.661 . 0 0 "[ . 1]" 1
337 1 32 ASP H 1 33 ALA MB 3.700 . 5.400 4.007 3.827 4.280 . 0 0 "[ . 1]" 1
338 1 44 CYS HB3 1 45 SER H 3.600 . 5.200 3.757 3.608 4.006 . 0 0 "[ . 1]" 1
339 1 18 PHE H 1 18 PHE HB3 2.800 . 3.800 2.333 2.127 2.491 . 0 0 "[ . 1]" 1
340 1 48 TRP HE1 1 56 LYS QD 3.700 . 5.400 4.274 3.365 5.075 . 0 0 "[ . 1]" 1
341 1 67 LYS H 1 67 LYS HB3 2.700 . 3.600 2.497 2.335 2.594 . 0 0 "[ . 1]" 1
342 1 27 LYS H 1 27 LYS HA 2.700 . 3.600 2.861 2.792 2.897 . 0 0 "[ . 1]" 1
343 1 44 CYS HB2 1 45 SER H 3.100 . 4.300 2.815 2.608 3.073 . 0 0 "[ . 1]" 1
344 1 73 GLU H 1 73 GLU HB3 3.300 . 4.600 2.651 2.372 2.897 . 0 0 "[ . 1]" 1
345 1 52 SER H 1 55 GLU QB 3.300 . 4.600 3.382 2.737 4.077 . 0 0 "[ . 1]" 1
346 1 64 LYS QB 1 65 ALA H 2.600 . 3.400 3.081 2.586 3.584 0.184 5 0 "[ . 1]" 1
347 1 37 PHE H 1 37 PHE HB3 4.100 . 6.000 3.364 2.482 3.597 . 0 0 "[ . 1]" 1
348 1 36 ASN HD22 1 39 GLU QB 5.000 . 6.000 5.082 3.844 5.724 . 0 0 "[ . 1]" 1
349 1 19 VAL H 1 19 VAL HB 2.700 . 3.600 2.608 2.340 3.147 . 0 0 "[ . 1]" 1
350 1 58 LYS H 1 58 LYS HB2 2.800 . 3.700 2.627 2.477 2.758 . 0 0 "[ . 1]" 1
351 1 41 SER H 1 41 SER HA 2.500 . 3.300 2.318 2.161 2.421 . 0 0 "[ . 1]" 1
352 1 69 ARG H 1 70 TYR HA 3.600 . 5.200 5.218 5.153 5.268 0.068 6 0 "[ . 1]" 1
353 1 9 ARG H 1 9 ARG QB 2.500 . 3.300 2.280 2.177 2.630 . 0 0 "[ . 1]" 1
354 1 18 PHE H 1 18 PHE QD 4.500 . 6.000 4.101 3.820 4.179 . 0 0 "[ . 1]" 1
355 1 49 LYS H 1 49 LYS QB 2.300 . 3.000 2.565 2.486 2.653 . 0 0 "[ . 1]" 1
356 1 30 HIS H 1 30 HIS HB3 3.800 . 5.600 3.785 3.674 3.918 . 0 0 "[ . 1]" 1
357 1 5 PRO HA 1 7 LYS H 3.300 . 4.600 3.544 3.289 3.766 . 0 0 "[ . 1]" 1
358 1 13 SER H 1 13 SER HB2 3.000 . 4.100 2.672 2.490 3.514 . 0 0 "[ . 1]" 1
359 1 22 CYS H 1 23 ARG H 3.000 . 4.200 2.487 2.289 2.597 . 0 0 "[ . 1]" 1
360 1 59 PHE H 1 61 ASP H 4.000 . 6.000 4.064 3.986 4.147 . 0 0 "[ . 1]" 1
361 1 70 TYR H 1 70 TYR QE 5.000 . 6.000 6.160 6.082 6.182 0.182 3 0 "[ . 1]" 1
362 1 60 GLU H 1 60 GLU HG3 3.700 . 5.400 4.463 4.378 4.513 . 0 0 "[ . 1]" 1
363 1 24 GLU H 1 24 GLU HG3 3.700 . 5.400 4.477 4.407 4.563 . 0 0 "[ . 1]" 1
364 1 27 LYS H 1 27 LYS QG 3.400 . 4.800 3.477 2.347 4.076 . 0 0 "[ . 1]" 1
365 1 60 GLU H 1 61 ASP H 2.800 . 3.800 2.572 2.482 2.666 . 0 0 "[ . 1]" 1
366 1 77 TYR HB3 1 78 ILE H 3.900 . 5.800 4.297 4.124 4.410 . 0 0 "[ . 1]" 1
367 1 52 SER H 1 55 GLU QG 3.300 . 4.700 3.698 2.893 4.548 . 0 0 "[ . 1]" 1
368 1 12 MET ME 1 17 PHE H 3.600 . 5.200 3.576 3.200 4.048 . 0 0 "[ . 1]" 1
369 1 32 ASP H 1 32 ASP HA 2.600 . 3.400 2.894 2.825 2.935 . 0 0 "[ . 1]" 1
370 1 16 ALA MB 1 17 PHE H 3.100 . 4.300 2.716 2.568 2.838 . 0 0 "[ . 1]" 1
371 1 82 GLY H 1 83 GLU H 2.900 . 4.000 2.937 1.907 4.196 0.196 8 0 "[ . 1]" 1
372 1 36 ASN HB3 1 36 ASN HD22 3.600 . 5.200 3.854 3.463 4.064 . 0 0 "[ . 1]" 1
373 1 38 SER H 1 39 GLU H 3.500 . 5.000 2.699 2.541 2.853 . 0 0 "[ . 1]" 1
374 1 14 SER H 1 63 ALA MB 3.100 . 4.300 3.583 2.990 4.275 . 0 0 "[ . 1]" 1
375 1 34 SER H 1 35 VAL H 4.000 . 6.000 4.379 4.021 4.555 . 0 0 "[ . 1]" 1
376 1 59 PHE QD 1 62 MET ME 2.600 . 3.400 2.272 1.918 2.667 . 0 0 "[ . 1]" 1
377 1 36 ASN HB2 1 39 GLU HG3 3.500 . 5.000 2.790 1.890 5.041 0.110 3 0 "[ . 1]" 1
378 1 50 THR H 1 50 THR MG 2.500 . 3.300 2.601 1.911 2.933 . 0 0 "[ . 1]" 1
379 1 17 PHE HA 1 17 PHE QE 3.500 . 5.000 4.383 4.243 4.472 . 0 0 "[ . 1]" 1
380 1 57 GLY HA2 1 60 GLU QG 4.300 . 6.000 4.158 3.523 4.483 . 0 0 "[ . 1]" 1
381 1 75 LYS QB 1 76 THR MG 2.700 . 3.600 3.052 2.709 3.539 . 0 0 "[ . 1]" 1
382 1 51 MET ME 1 56 LYS QD 3.700 . 5.400 4.223 3.868 4.634 . 0 0 "[ . 1]" 1
383 1 35 VAL QG 1 40 PHE QD 3.100 . 4.300 2.891 2.245 3.306 . 0 0 "[ . 1]" 1
384 1 12 MET ME 1 17 PHE QE 2.900 . 3.900 3.675 3.064 4.000 0.100 10 0 "[ . 1]" 1
385 1 57 GLY HA2 1 60 GLU HB3 2.800 . 3.800 2.405 2.148 2.567 . 0 0 "[ . 1]" 1
386 1 35 VAL MG1 1 35 VAL MG2 2.000 . 2.500 2.077 2.058 2.084 . 0 0 "[ . 1]" 1
387 1 51 MET HA 1 56 LYS QE 3.800 . 5.600 4.343 4.023 4.700 . 0 0 "[ . 1]" 1
388 1 74 MET HA 1 74 MET QB 2.500 . 3.300 2.388 2.325 2.439 . 0 0 "[ . 1]" 1
389 1 7 LYS HB3 1 77 TYR QD 4.400 . 6.000 5.476 2.943 6.094 0.094 10 0 "[ . 1]" 1
390 1 22 CYS HB2 1 40 PHE HZ 4.000 . 6.000 2.577 1.994 3.572 0.006 6 0 "[ . 1]" 1
391 1 31 PRO HB3 1 31 PRO HD3 3.500 . 5.000 3.939 2.947 4.066 . 0 0 "[ . 1]" 1
392 1 77 TYR HB3 1 77 TYR QD 2.500 . 3.300 2.430 2.298 2.757 . 0 0 "[ . 1]" 1
393 1 78 ILE H 1 78 ILE MG 3.500 . 5.000 3.814 3.764 3.870 . 0 0 "[ . 1]" 1
394 1 71 GLU HA 1 71 GLU HG3 3.000 . 4.200 3.264 2.851 3.760 . 0 0 "[ . 1]" 1
395 1 80 PRO HB2 1 80 PRO HD2 3.200 . 4.500 3.246 2.932 4.027 . 0 0 "[ . 1]" 1
396 1 75 LYS HA 1 75 LYS QE 4.200 . 6.000 3.901 3.678 4.196 . 0 0 "[ . 1]" 1
397 1 8 PRO HB3 1 8 PRO HD3 4.100 . 6.000 3.627 2.977 4.063 . 0 0 "[ . 1]" 1
398 1 62 MET HA 1 62 MET HG2 3.300 . 4.600 2.724 2.423 3.781 . 0 0 "[ . 1]" 1
399 1 56 LYS HB2 1 56 LYS QD 3.100 . 4.300 2.384 2.330 2.484 . 0 0 "[ . 1]" 1
400 1 58 LYS HG2 1 59 PHE H 3.200 . 4.500 3.534 3.269 4.199 . 0 0 "[ . 1]" 1
401 1 78 ILE HA 1 79 PRO QD 1.800 . 2.200 1.871 1.755 1.961 . 0 0 "[ . 1]" 1
402 1 40 PHE HA 1 43 LYS H 3.200 . 4.500 3.925 3.610 4.129 . 0 0 "[ . 1]" 1
403 1 60 GLU HA 1 60 GLU HB2 3.000 . 4.100 2.473 2.423 2.528 . 0 0 "[ . 1]" 1
404 1 58 LYS HB3 1 58 LYS QG 2.500 . 3.300 2.345 2.164 2.395 . 0 0 "[ . 1]" 1
405 1 77 TYR QD 1 79 PRO HD3 3.200 . 4.500 3.039 2.779 3.466 . 0 0 "[ . 1]" 1
406 1 58 LYS HB3 1 59 PHE H 2.600 . 3.400 2.523 2.442 2.601 . 0 0 "[ . 1]" 1
407 1 67 LYS HA 1 70 TYR HB2 3.700 . 5.400 3.375 2.995 4.345 . 0 0 "[ . 1]" 1
408 1 16 ALA HA 1 19 VAL H 3.400 . 4.900 3.425 3.272 3.681 . 0 0 "[ . 1]" 1
409 1 7 LYS HB3 1 8 PRO HA 3.600 . 5.200 5.006 4.675 6.128 0.928 5 1 "[ + 1]" 1
410 1 72 ARG QB 1 72 ARG HG3 2.400 . 3.100 2.255 2.155 2.423 . 0 0 "[ . 1]" 1
411 1 49 LYS QB 1 50 THR MG 2.500 . 3.300 2.811 2.510 3.319 0.019 3 0 "[ . 1]" 1
412 1 26 HIS HB2 1 26 HIS HD2 3.400 . 4.800 3.231 2.956 3.909 . 0 0 "[ . 1]" 1
413 1 58 LYS HA 1 61 ASP HB2 3.200 . 4.500 3.541 3.022 4.023 . 0 0 "[ . 1]" 1
414 1 6 LYS HA 1 6 LYS QD 2.900 . 4.000 3.339 1.870 4.182 0.182 3 0 "[ . 1]" 1
415 1 31 PRO HA 1 31 PRO HB3 2.300 . 2.900 2.264 2.243 2.273 . 0 0 "[ . 1]" 1
416 1 80 PRO HA 1 80 PRO HB2 2.400 . 3.100 2.883 2.695 2.979 . 0 0 "[ . 1]" 1
417 1 19 VAL H 1 19 VAL QG 3.500 . 3.800 2.054 1.758 2.392 0.242 8 0 "[ . 1]" 1
418 1 56 LYS HD2 1 56 LYS QE 3.400 . 3.800 2.319 2.161 2.398 . 0 0 "[ . 1]" 1
419 1 23 ARG HG3 1 40 PHE QE 3.700 . 5.400 3.879 2.904 4.704 . 0 0 "[ . 1]" 1
420 1 67 LYS HB2 1 67 LYS QG 2.600 . 3.400 2.244 2.137 2.394 . 0 0 "[ . 1]" 1
421 1 68 ALA HA 1 71 GLU HB2 4.000 . 6.000 2.670 2.534 2.910 . 0 0 "[ . 1]" 1
422 1 18 PHE HZ 1 47 ARG HD3 3.600 . 5.200 2.499 1.976 3.619 0.024 9 0 "[ . 1]" 1
423 1 31 PRO HA 1 31 PRO HG3 3.800 . 5.600 3.241 3.065 3.997 . 0 0 "[ . 1]" 1
424 1 48 TRP HB3 1 48 TRP HD1 3.300 . 4.700 2.641 2.595 2.698 . 0 0 "[ . 1]" 1
425 1 37 PHE HA 1 37 PHE QE 3.800 . 5.600 4.494 4.163 4.657 . 0 0 "[ . 1]" 1
426 1 4 ASP HB2 1 5 PRO HB3 4.500 . 6.000 5.392 4.900 5.640 . 0 0 "[ . 1]" 1
427 1 12 MET HA 1 12 MET HG2 3.000 . 4.100 2.566 2.473 2.638 . 0 0 "[ . 1]" 1
428 1 24 GLU HA 1 24 GLU HB3 2.900 . 4.000 3.017 2.995 3.027 . 0 0 "[ . 1]" 1
429 1 31 PRO HB3 1 31 PRO HD2 3.600 . 5.300 3.872 3.860 3.889 . 0 0 "[ . 1]" 1
430 1 40 PHE QR 1 41 SER HA 3.600 . 5.200 3.489 2.963 3.811 . 0 0 "[ . 1]" 1
431 1 18 PHE HZ 1 47 ARG HG2 3.300 . 4.600 3.359 1.988 4.812 0.212 10 0 "[ . 1]" 1
432 1 35 VAL QG 1 40 PHE QR 2.800 . 3.600 2.718 2.193 3.106 . 0 0 "[ . 1]" 1
433 1 44 CYS HA 1 45 SER H 3.300 . 4.600 3.526 3.491 3.548 . 0 0 "[ . 1]" 1
434 1 7 LYS HB3 1 8 PRO HD2 3.100 . 4.300 3.359 1.888 4.351 0.051 3 0 "[ . 1]" 1
435 1 47 ARG HA 1 47 ARG HG3 2.900 . 4.000 2.689 2.448 3.581 . 0 0 "[ . 1]" 1
436 1 58 LYS QE 1 59 PHE QD 4.200 . 6.000 3.770 3.258 4.550 . 0 0 "[ . 1]" 1
437 1 51 MET H 1 51 MET HB2 3.000 . 4.100 2.549 2.344 2.817 . 0 0 "[ . 1]" 1
438 1 76 THR HA 1 76 THR MG 2.000 . 2.500 1.975 1.924 2.102 . 0 0 "[ . 1]" 1
439 1 78 ILE HB 1 78 ILE MD 2.100 . 2.700 2.334 2.300 2.348 . 0 0 "[ . 1]" 1
440 1 53 ALA HA 1 56 LYS QE 3.800 . 5.600 3.995 2.792 4.754 . 0 0 "[ . 1]" 1
441 1 29 LYS HA 1 29 LYS HG3 2.700 . 3.600 2.923 2.501 3.163 . 0 0 "[ . 1]" 1
442 1 77 TYR QE 1 79 PRO HB2 3.600 . 5.200 4.546 3.624 4.939 . 0 0 "[ . 1]" 1
443 1 23 ARG HA 1 23 ARG HB2 2.900 . 4.000 2.407 2.233 2.635 . 0 0 "[ . 1]" 1
444 1 12 MET H 1 12 MET HB2 3.000 . 4.100 2.775 2.430 3.497 . 0 0 "[ . 1]" 1
445 1 33 ALA HA 1 33 ALA MB 2.200 . 2.800 2.125 2.117 2.140 . 0 0 "[ . 1]" 1
446 1 29 LYS QE 1 29 LYS HG2 2.900 . 4.000 2.808 2.376 3.501 . 0 0 "[ . 1]" 1
447 1 67 LYS QD 1 67 LYS QE 2.300 . 3.000 2.038 1.982 2.093 . 0 0 "[ . 1]" 1
448 1 7 LYS QE 1 77 TYR QE 3.500 . 5.000 3.795 3.189 4.478 . 0 0 "[ . 1]" 1
449 1 49 LYS QD 1 50 THR MG 2.100 . 6.000 4.204 3.971 4.559 . 0 0 "[ . 1]" 1
450 1 77 TYR QE 1 80 PRO HD3 4.100 . 6.000 3.469 1.973 5.054 0.027 2 0 "[ . 1]" 1
451 1 28 LYS HB2 1 29 LYS HG3 2.900 . 4.000 3.317 2.579 4.356 0.356 5 0 "[ . 1]" 1
452 1 15 TYR QE 2 44 MET ME 3.700 . 5.400 2.502 1.982 3.351 0.018 4 0 "[ . 1]" 1
453 1 46 GLU HA 1 50 THR MG 2.900 . 4.000 3.959 3.471 4.078 0.078 3 0 "[ . 1]" 1
454 1 47 ARG H 1 47 ARG HG2 3.500 . 5.000 4.241 2.909 4.532 . 0 0 "[ . 1]" 1
455 1 40 PHE HB3 1 40 PHE QD 2.900 . 4.000 2.342 2.270 2.603 . 0 0 "[ . 1]" 1
456 1 27 LYS HA 1 33 ALA MB 3.300 . 4.600 3.905 2.608 4.637 0.037 3 0 "[ . 1]" 1
457 1 32 ASP HA 1 32 ASP HB2 2.600 . 3.500 2.729 2.395 3.028 . 0 0 "[ . 1]" 1
458 1 77 TYR QD 1 78 ILE MD 3.000 . 6.000 4.657 4.070 4.862 . 0 0 "[ . 1]" 1
459 1 58 LYS HB3 1 58 LYS HG3 3.000 . 4.100 2.953 2.441 3.013 . 0 0 "[ . 1]" 1
460 1 53 ALA HA 1 53 ALA MB 2.100 . 2.700 2.125 2.122 2.130 . 0 0 "[ . 1]" 1
461 1 78 ILE HA 1 78 ILE MG 2.200 . 2.800 2.437 2.383 2.499 . 0 0 "[ . 1]" 1
462 1 63 ALA MB 1 64 LYS H 2.600 . 3.400 2.501 2.388 2.600 . 0 0 "[ . 1]" 1
463 1 4 ASP HA 1 5 PRO HD3 2.200 . 2.800 2.086 1.744 2.501 . 0 0 "[ . 1]" 1
464 1 50 THR HB 1 50 THR MG 2.100 . 2.600 2.132 2.130 2.135 . 0 0 "[ . 1]" 1
465 1 30 HIS HA 1 31 PRO HG2 4.700 . 6.000 4.482 4.223 4.559 . 0 0 "[ . 1]" 1
466 1 61 ASP HA 1 62 MET H 3.400 . 4.800 3.543 3.494 3.564 . 0 0 "[ . 1]" 1
467 1 47 ARG HA 1 50 THR MG 3.100 . 4.300 3.969 2.742 4.381 0.081 8 0 "[ . 1]" 1
468 1 35 VAL QG 1 37 PHE QD 4.000 . 6.000 4.101 3.102 4.723 . 0 0 "[ . 1]" 1
469 1 18 PHE QE 1 51 MET ME 2.700 . 3.600 3.144 2.709 3.506 . 0 0 "[ . 1]" 1
470 1 49 LYS H 1 49 LYS HG2 3.200 . 4.500 3.103 2.892 3.386 . 0 0 "[ . 1]" 1
471 1 19 VAL QG 1 23 ARG HG2 3.600 . 5.200 4.995 4.716 5.597 0.397 6 0 "[ . 1]" 1
472 1 48 TRP QB 1 48 TRP HD1 3.100 . 4.300 2.593 2.549 2.647 . 0 0 "[ . 1]" 1
473 1 15 TYR QE 1 48 TRP HD1 3.800 . 5.600 3.132 2.713 3.443 . 0 0 "[ . 1]" 1
474 1 15 TYR QE 1 18 PHE QE 3.900 . 5.800 4.519 4.056 5.331 . 0 0 "[ . 1]" 1
475 1 60 GLU HB3 1 62 MET H 4.300 . 6.000 5.125 4.924 5.261 . 0 0 "[ . 1]" 1
476 1 29 LYS HB3 1 29 LYS HG3 3.000 . 4.100 3.004 2.991 3.011 . 0 0 "[ . 1]" 1
477 1 15 TYR QD 2 44 MET HB3 4.100 . 6.000 3.217 2.378 4.170 . 0 0 "[ . 1]" 1
478 1 29 LYS H 1 29 LYS HG2 3.500 . 5.000 3.685 3.325 4.250 . 0 0 "[ . 1]" 1
479 1 29 LYS HA 1 29 LYS HB2 2.800 . 3.800 3.014 2.963 3.025 . 0 0 "[ . 1]" 1
480 1 72 ARG H 1 72 ARG QB 2.500 . 3.300 2.438 2.138 2.639 . 0 0 "[ . 1]" 1
481 1 46 GLU HG3 2 43 LEU MD1 3.800 . 5.600 5.537 5.228 5.647 0.047 9 0 "[ . 1]" 1
482 1 56 LYS HD3 1 56 LYS QE 3.300 . 4.100 2.350 2.293 2.418 . 0 0 "[ . 1]" 1
483 1 24 GLU H 1 24 GLU HA 2.600 . 3.500 2.851 2.835 2.866 . 0 0 "[ . 1]" 1
484 1 26 HIS HE1 1 30 HIS HD2 4.100 . 6.000 5.933 5.374 6.045 0.045 7 0 "[ . 1]" 1
485 1 7 LYS HG2 1 8 PRO HD3 3.800 . 5.600 4.143 3.418 5.626 0.026 5 0 "[ . 1]" 1
486 1 58 LYS HG2 1 62 MET ME 2.800 . 3.800 2.636 1.974 4.325 0.525 5 1 "[ + 1]" 1
487 1 62 MET HB3 1 63 ALA H 4.200 . 6.000 3.834 3.660 4.051 . 0 0 "[ . 1]" 1
488 1 21 THR MG 1 62 MET ME 2.200 . 2.800 2.530 2.056 2.857 0.057 10 0 "[ . 1]" 1
489 1 21 THR H 1 21 THR MG 2.600 . 3.400 2.104 1.942 2.267 . 0 0 "[ . 1]" 1
490 1 51 MET HA 1 51 MET QG 2.700 . 3.600 2.366 2.278 2.466 . 0 0 "[ . 1]" 1
491 1 26 HIS HE1 1 30 HIS HB3 4.600 . 6.000 5.148 4.297 6.022 0.022 6 0 "[ . 1]" 1
492 1 77 TYR HA 1 77 TYR QD 2.500 . 3.300 2.847 2.040 3.171 . 0 0 "[ . 1]" 1
493 1 7 LYS HA 1 7 LYS HG3 2.900 . 4.000 2.970 2.310 3.861 . 0 0 "[ . 1]" 1
494 1 48 TRP HA 1 48 TRP HB2 3.000 . 4.100 2.387 2.347 2.447 . 0 0 "[ . 1]" 1
495 1 11 LYS QB 1 11 LYS HE3 2.600 . 3.500 2.594 2.423 2.931 . 0 0 "[ . 1]" 1
496 1 35 VAL QG 1 39 GLU QB 4.100 . 5.600 4.779 4.431 5.121 . 0 0 "[ . 1]" 1
497 1 45 SER HB2 1 46 GLU H 3.800 . 5.600 3.489 2.265 3.896 . 0 0 "[ . 1]" 1
498 1 6 LYS H 1 6 LYS HB2 2.500 . 3.300 2.633 2.535 2.747 . 0 0 "[ . 1]" 1
499 1 77 TYR QD 1 78 ILE HA 3.200 . 4.400 4.017 3.296 4.454 0.054 3 0 "[ . 1]" 1
500 1 22 CYS HA 1 22 CYS HB2 2.900 . 4.000 2.818 2.489 3.026 . 0 0 "[ . 1]" 1
501 1 78 ILE HA 1 78 ILE MD 2.300 . 2.900 2.359 2.327 2.390 . 0 0 "[ . 1]" 1
502 1 35 VAL HA 1 35 VAL QG 2.800 . 3.600 2.392 2.315 2.444 . 0 0 "[ . 1]" 1
503 1 52 SER H 1 52 SER HB2 3.100 . 4.300 2.876 2.506 3.591 . 0 0 "[ . 1]" 1
504 1 71 GLU HA 1 71 GLU HB2 2.700 . 3.600 3.013 2.987 3.024 . 0 0 "[ . 1]" 1
505 1 36 ASN HB3 1 39 GLU HG3 3.000 . 4.100 3.319 2.882 3.787 . 0 0 "[ . 1]" 1
506 1 7 LYS HB2 1 8 PRO HD2 4.100 . 6.000 4.177 2.304 4.995 . 0 0 "[ . 1]" 1
507 1 15 TYR QD 1 48 TRP QB 3.900 . 5.800 3.488 3.067 3.966 . 0 0 "[ . 1]" 1
508 1 11 LYS HG3 1 70 TYR QD 3.900 . 5.800 3.976 2.370 5.616 . 0 0 "[ . 1]" 1
509 1 72 ARG HA 1 72 ARG QB 2.200 . 2.800 2.358 2.296 2.432 . 0 0 "[ . 1]" 1
510 1 23 ARG HB2 1 23 ARG QD 3.700 . 4.900 2.878 2.158 3.225 . 0 0 "[ . 1]" 1
511 1 30 HIS HB3 1 30 HIS HD2 4.000 . 6.000 3.887 3.831 3.953 . 0 0 "[ . 1]" 1
512 1 77 TYR HB2 1 78 ILE MD 4.400 . 6.000 4.859 4.745 4.990 . 0 0 "[ . 1]" 1
513 1 56 LYS H 1 56 LYS QE 4.500 . 6.000 4.383 4.193 4.601 . 0 0 "[ . 1]" 1
514 1 16 ALA HA 1 19 VAL HB 3.000 . 4.100 3.334 2.982 3.987 . 0 0 "[ . 1]" 1
515 1 67 LYS HB2 1 67 LYS QD 3.100 . 4.300 2.851 2.365 3.538 . 0 0 "[ . 1]" 1
516 1 7 LYS HG3 1 8 PRO HD3 4.200 . 6.000 4.669 3.281 5.402 . 0 0 "[ . 1]" 1
517 1 48 TRP HA 1 49 LYS H 3.200 . 4.500 3.545 3.531 3.568 . 0 0 "[ . 1]" 1
518 1 31 PRO HD3 1 31 PRO QG 2.200 . 2.800 2.192 2.184 2.237 . 0 0 "[ . 1]" 1
519 1 56 LYS HB2 1 56 LYS HG3 3.000 . 4.100 2.464 2.390 2.510 . 0 0 "[ . 1]" 1
520 1 56 LYS QE 1 56 LYS HG2 3.000 . 4.100 2.457 2.298 2.819 . 0 0 "[ . 1]" 1
521 1 37 PHE QB 1 37 PHE QD 3.200 . 4.500 2.142 2.121 2.273 . 0 0 "[ . 1]" 1
522 1 12 MET ME 1 12 MET HG2 2.700 . 3.600 3.146 2.535 3.427 . 0 0 "[ . 1]" 1
523 1 18 PHE HZ 1 44 CYS HA 3.700 . 5.400 3.279 2.626 3.743 . 0 0 "[ . 1]" 1
524 1 4 ASP HB3 1 5 PRO QD 3.400 . 4.900 3.732 2.413 4.330 . 0 0 "[ . 1]" 1
525 1 51 MET QG 1 56 LYS QE 3.100 . 4.300 3.982 3.760 4.113 . 0 0 "[ . 1]" 1
526 1 6 LYS HB2 1 77 TYR QE 3.400 . 4.900 3.283 2.524 4.430 . 0 0 "[ . 1]" 1
527 1 70 TYR QD 1 71 GLU HA 3.400 . 4.800 3.108 2.576 3.898 . 0 0 "[ . 1]" 1
528 1 18 PHE HZ 1 47 ARG HB2 3.900 . 5.800 3.772 2.388 4.420 . 0 0 "[ . 1]" 1
529 1 49 LYS QE 1 49 LYS HG2 2.700 . 3.600 2.651 2.372 3.033 . 0 0 "[ . 1]" 1
530 1 29 LYS H 1 30 HIS HD2 3.800 . 5.600 4.791 4.285 5.491 . 0 0 "[ . 1]" 1
531 1 18 PHE HA 1 18 PHE HB2 3.000 . 4.100 2.362 2.261 2.436 . 0 0 "[ . 1]" 1
532 1 47 ARG HA 1 47 ARG HG2 3.100 . 4.300 2.965 2.296 3.250 . 0 0 "[ . 1]" 1
533 1 58 LYS QG 1 62 MET HB3 4.300 . 6.000 5.336 3.868 6.319 0.319 5 0 "[ . 1]" 1
534 1 58 LYS QD 1 58 LYS QG 2.100 . 2.700 2.029 1.988 2.089 . 0 0 "[ . 1]" 1
535 1 51 MET HB3 1 56 LYS QE 2.600 . 3.500 3.036 2.208 3.733 0.233 10 0 "[ . 1]" 1
536 1 72 ARG QD 1 72 ARG HG3 2.300 . 3.000 2.340 2.165 2.518 . 0 0 "[ . 1]" 1
537 1 17 PHE QE 1 63 ALA MB 3.500 . 5.000 3.653 3.098 4.251 . 0 0 "[ . 1]" 1
538 1 79 PRO HD3 1 79 PRO HG2 2.500 . 3.300 2.747 2.671 2.986 . 0 0 "[ . 1]" 1
539 1 30 HIS H 1 30 HIS HD2 3.300 . 4.600 3.693 3.237 4.130 . 0 0 "[ . 1]" 1
540 1 11 LYS HE2 1 11 LYS HG2 2.800 . 3.800 2.958 2.199 3.800 0.000 5 0 "[ . 1]" 1
541 1 7 LYS HA 1 7 LYS QD 3.900 . 5.800 3.856 2.171 4.407 . 0 0 "[ . 1]" 1
542 1 71 GLU H 1 71 GLU HG2 3.300 . 4.600 3.017 2.169 3.788 . 0 0 "[ . 1]" 1
543 1 28 LYS HA 1 28 LYS HG2 2.600 . 3.500 2.822 2.400 3.578 0.078 4 0 "[ . 1]" 1
544 1 19 VAL HA 1 19 VAL QG 2.800 . 3.400 2.127 2.066 2.202 . 0 0 "[ . 1]" 1
545 1 61 ASP HA 1 64 LYS HG3 3.000 . 4.100 3.321 2.488 4.498 0.398 8 0 "[ . 1]" 1
546 1 63 ALA H 1 63 ALA MB 2.300 . 3.000 2.244 2.229 2.260 . 0 0 "[ . 1]" 1
547 1 42 LYS QE 1 42 LYS HG2 2.200 . 2.800 2.550 2.397 2.843 0.043 7 0 "[ . 1]" 1
548 1 62 MET HA 1 65 ALA MB 2.600 . 3.500 2.455 2.211 2.840 . 0 0 "[ . 1]" 1
549 1 51 MET HB2 1 51 MET HG2 2.500 . 3.300 2.189 2.153 2.236 . 0 0 "[ . 1]" 1
550 1 53 ALA MB 1 54 LYS H 3.800 . 5.600 2.742 2.580 2.979 . 0 0 "[ . 1]" 1
551 1 48 TRP HA 1 51 MET HB2 2.900 . 3.900 2.200 1.853 2.925 0.047 3 0 "[ . 1]" 1
552 1 63 ALA HA 1 66 ASP QB 3.400 . 4.800 3.070 2.478 3.424 . 0 0 "[ . 1]" 1
553 1 78 ILE MG 1 79 PRO HD3 3.400 . 4.800 3.670 3.237 4.296 . 0 0 "[ . 1]" 1
554 1 11 LYS HA 1 11 LYS HG2 2.900 . 4.000 2.830 2.318 3.693 . 0 0 "[ . 1]" 1
555 1 59 PHE HA 1 59 PHE QD 3.000 . 4.100 2.605 2.065 3.049 . 0 0 "[ . 1]" 1
556 1 5 PRO HA 1 6 LYS QG 3.600 . 5.200 4.758 4.535 5.293 0.093 10 0 "[ . 1]" 1
557 1 7 LYS HG3 1 77 TYR QD 4.200 . 6.000 4.831 3.867 5.712 . 0 0 "[ . 1]" 1
558 1 11 LYS HE2 1 70 TYR QE 4.100 . 6.000 4.720 3.451 5.513 . 0 0 "[ . 1]" 1
559 1 79 PRO HA 1 80 PRO HD2 2.400 . 3.100 2.501 2.058 2.728 . 0 0 "[ . 1]" 1
560 1 58 LYS QE 1 62 MET ME 2.500 . 3.300 3.013 2.543 3.257 . 0 0 "[ . 1]" 1
561 1 70 TYR HA 1 70 TYR QD 3.100 . 4.300 2.943 2.634 3.169 . 0 0 "[ . 1]" 1
562 1 72 ARG H 1 72 ARG QD 3.900 . 5.800 3.558 1.937 4.579 0.063 7 0 "[ . 1]" 1
563 1 55 GLU HB3 1 55 GLU QG 2.500 . 3.300 2.291 2.143 2.357 . 0 0 "[ . 1]" 1
564 1 26 HIS HA 1 26 HIS HB2 2.700 . 3.600 2.474 2.405 2.544 . 0 0 "[ . 1]" 1
565 1 7 LYS HA 1 8 PRO QG 4.800 . 6.000 3.791 3.619 3.953 . 0 0 "[ . 1]" 1
566 1 21 THR HA 1 21 THR HB 3.000 . 4.100 2.455 2.406 2.492 . 0 0 "[ . 1]" 1
567 1 15 TYR QD 1 19 VAL QG 3.700 . 5.400 3.717 2.768 5.032 . 0 0 "[ . 1]" 1
568 1 77 TYR QD 1 79 PRO QD 3.200 . 4.500 2.997 2.754 3.410 . 0 0 "[ . 1]" 1
569 1 7 LYS H 1 7 LYS HB3 3.300 . 4.600 3.300 2.503 3.628 . 0 0 "[ . 1]" 1
570 1 29 LYS HG2 1 30 HIS H 4.400 . 6.000 5.143 4.968 5.314 . 0 0 "[ . 1]" 1
571 1 17 PHE HZ 1 63 ALA MB 3.900 . 5.800 4.535 3.877 5.260 . 0 0 "[ . 1]" 1
572 1 12 MET HB2 1 17 PHE QE 3.300 . 4.600 2.993 2.099 3.679 . 0 0 "[ . 1]" 1
573 1 49 LYS H 1 49 LYS QD 3.700 . 5.400 3.867 3.679 4.100 . 0 0 "[ . 1]" 1
574 1 75 LYS HA 1 75 LYS HD3 2.400 . 3.100 2.424 1.698 3.416 0.316 10 0 "[ . 1]" 1
575 1 74 MET HA 1 74 MET ME 2.600 . 3.400 2.115 1.676 3.407 0.124 7 0 "[ . 1]" 1
576 1 21 THR MG 1 58 LYS QE 3.500 . 5.100 4.649 4.195 4.971 . 0 0 "[ . 1]" 1
577 1 62 MET H 1 62 MET HB3 3.600 . 5.200 3.392 2.485 3.635 . 0 0 "[ . 1]" 1
578 1 77 TYR H 1 78 ILE MD 3.100 . 4.300 3.802 3.330 4.321 0.021 2 0 "[ . 1]" 1
579 1 11 LYS HE3 1 11 LYS HG2 3.100 . 4.300 2.783 2.345 3.642 . 0 0 "[ . 1]" 1
580 1 48 TRP HA 1 51 MET QG 4.000 . 6.000 3.388 2.088 4.410 . 0 0 "[ . 1]" 1
581 1 80 PRO HA 1 80 PRO HB3 2.200 . 2.800 2.292 2.271 2.311 . 0 0 "[ . 1]" 1
582 1 71 GLU HB3 1 71 GLU HG2 3.000 . 4.100 2.632 2.411 3.005 . 0 0 "[ . 1]" 1
583 1 70 TYR QD 1 71 GLU HG2 3.300 . 4.600 3.108 2.520 3.671 . 0 0 "[ . 1]" 1
584 1 43 LYS H 1 43 LYS HG3 3.000 . 4.100 3.047 1.903 3.409 . 0 0 "[ . 1]" 1
585 1 29 LYS HB3 1 30 HIS HD2 3.300 . 4.700 3.324 2.851 3.992 . 0 0 "[ . 1]" 1
586 1 78 ILE HA 1 79 PRO HD3 1.900 . 2.400 2.039 1.784 2.651 0.251 3 0 "[ . 1]" 1
587 1 52 SER HA 1 53 ALA MB 4.300 . 6.000 4.080 3.964 4.202 . 0 0 "[ . 1]" 1
588 1 48 TRP HA 1 51 MET ME 2.900 . 3.900 2.478 1.887 3.831 0.013 10 0 "[ . 1]" 1
589 1 55 GLU HB2 1 55 GLU QG 2.200 . 2.800 2.282 2.161 2.443 . 0 0 "[ . 1]" 1
590 1 54 LYS H 1 54 LYS QE 3.600 . 5.300 4.465 4.131 5.088 . 0 0 "[ . 1]" 1
591 1 51 MET ME 1 56 LYS HG2 2.600 . 3.400 2.761 2.337 3.213 . 0 0 "[ . 1]" 1
592 1 72 ARG H 1 72 ARG HG3 3.200 . 4.500 3.284 1.995 4.449 . 0 0 "[ . 1]" 1
593 1 53 ALA MB 1 56 LYS HD3 2.500 . 6.000 4.790 4.160 5.556 . 0 0 "[ . 1]" 1
594 1 24 GLU HB3 1 24 GLU HG3 2.700 . 3.600 2.905 2.501 3.014 . 0 0 "[ . 1]" 1
595 1 21 THR MG 1 22 CYS H 2.900 . 4.000 2.227 2.083 2.331 . 0 0 "[ . 1]" 1
596 1 77 TYR QD 1 78 ILE H 2.800 . 3.800 3.447 2.407 3.893 0.093 9 0 "[ . 1]" 1
597 1 23 ARG HA 1 23 ARG QD 3.900 . 5.800 4.084 3.722 4.337 . 0 0 "[ . 1]" 1
598 1 8 PRO QG 1 77 TYR QD 4.100 . 6.000 4.325 3.563 5.456 . 0 0 "[ . 1]" 1
599 1 21 THR MG 1 22 CYS HB2 3.100 . 4.300 3.998 3.028 4.501 0.201 7 0 "[ . 1]" 1
600 1 61 ASP H 1 61 ASP HA 2.700 . 3.600 2.821 2.792 2.844 . 0 0 "[ . 1]" 1
601 1 30 HIS HB2 1 33 ALA MB 2.600 . 3.400 2.531 2.166 3.070 . 0 0 "[ . 1]" 1
602 1 7 LYS HA 1 8 PRO HD2 2.800 . 3.800 2.477 1.799 3.106 0.001 7 0 "[ . 1]" 1
603 1 23 ARG HB3 1 23 ARG QD 3.500 . 4.500 2.394 2.112 2.631 . 0 0 "[ . 1]" 1
604 1 83 GLU HA 1 83 GLU QB 2.600 . 3.500 2.308 2.159 2.435 . 0 0 "[ . 1]" 1
605 1 56 LYS H 1 56 LYS HB3 4.000 . 6.000 3.590 3.582 3.605 . 0 0 "[ . 1]" 1
606 1 25 GLU HB3 1 25 GLU HG3 2.400 . 3.100 2.726 2.403 3.004 . 0 0 "[ . 1]" 1
607 1 29 LYS HD2 1 29 LYS HG3 2.300 . 3.000 2.632 2.410 3.016 0.016 8 0 "[ . 1]" 1
608 1 4 ASP HB3 1 5 PRO HD3 4.000 . 6.000 4.476 3.715 4.941 . 0 0 "[ . 1]" 1
609 1 56 LYS HB3 1 56 LYS QE 3.800 . 5.600 3.990 3.856 4.220 . 0 0 "[ . 1]" 1
610 1 69 ARG H 1 69 ARG HG2 3.700 . 5.500 4.171 2.149 4.640 . 0 0 "[ . 1]" 1
611 1 17 PHE QE 1 63 ALA HA 2.900 . 3.900 3.119 2.619 3.550 . 0 0 "[ . 1]" 1
612 1 5 PRO HD2 1 6 LYS H 3.300 . 4.600 2.878 2.662 3.105 . 0 0 "[ . 1]" 1
613 1 68 ALA H 1 68 ALA MB 2.200 . 2.800 2.252 2.241 2.293 . 0 0 "[ . 1]" 1
614 1 7 LYS HG2 1 77 TYR QE 3.300 . 4.600 3.354 1.975 4.614 0.025 10 0 "[ . 1]" 1
615 1 17 PHE HZ 1 66 ASP QB 3.200 . 4.500 2.037 1.883 2.242 0.017 7 0 "[ . 1]" 1
616 1 23 ARG HA 1 26 HIS HB2 4.200 . 6.000 3.755 3.147 4.313 . 0 0 "[ . 1]" 1
617 1 16 ALA HA 1 19 VAL QG 3.400 . 4.600 2.918 1.980 3.695 0.020 8 0 "[ . 1]" 1
618 1 48 TRP HE3 1 51 MET ME 3.200 . 4.500 2.328 1.907 3.324 . 0 0 "[ . 1]" 1
619 1 77 TYR QE 1 80 PRO HD2 4.300 . 6.000 4.146 2.871 4.710 . 0 0 "[ . 1]" 1
620 1 49 LYS H 1 49 LYS HG3 2.800 . 3.800 2.077 1.895 2.303 . 0 0 "[ . 1]" 1
621 1 32 ASP H 1 32 ASP HB3 3.100 . 4.300 3.121 2.340 3.695 . 0 0 "[ . 1]" 1
622 1 35 VAL HB 1 40 PHE QR 3.800 . 5.600 3.197 2.562 3.718 . 0 0 "[ . 1]" 1
623 1 8 PRO HA 1 8 PRO HB3 2.600 . 3.400 2.238 2.209 2.282 . 0 0 "[ . 1]" 1
624 1 74 MET ME 1 77 TYR HB2 3.500 . 5.000 3.469 2.600 4.790 . 0 0 "[ . 1]" 1
625 1 63 ALA MB 1 66 ASP H 3.500 . 5.100 4.668 4.394 4.906 . 0 0 "[ . 1]" 1
626 1 10 GLY QA 1 70 TYR QE 3.100 . 4.300 3.297 2.078 4.232 . 0 0 "[ . 1]" 1
627 1 79 PRO HB2 1 79 PRO HD2 3.500 . 5.000 3.208 2.935 4.046 . 0 0 "[ . 1]" 1
628 1 29 LYS H 1 29 LYS HB2 2.500 . 3.300 2.437 2.178 2.581 . 0 0 "[ . 1]" 1
629 1 11 LYS HA 1 70 TYR QD 3.800 . 5.600 4.808 4.075 5.682 0.082 7 0 "[ . 1]" 1
630 1 7 LYS QD 1 77 TYR QE 3.800 . 5.600 3.986 2.258 5.298 . 0 0 "[ . 1]" 1
631 1 71 GLU HB3 1 71 GLU HG3 2.400 . 3.100 2.840 2.451 3.008 . 0 0 "[ . 1]" 1
632 1 60 GLU HB3 1 61 ASP H 3.100 . 4.300 2.651 2.488 2.758 . 0 0 "[ . 1]" 1
633 1 48 TRP HZ2 1 56 LYS QD 3.400 . 4.900 3.602 2.957 4.080 . 0 0 "[ . 1]" 1
634 1 40 PHE HA 1 40 PHE QD 2.800 . 3.800 2.716 2.350 3.107 . 0 0 "[ . 1]" 1
635 1 78 ILE HB 1 78 ILE HG12 2.400 . 3.100 2.594 2.578 2.616 . 0 0 "[ . 1]" 1
636 1 9 ARG HA 1 9 ARG QB 2.500 . 3.300 2.386 2.160 2.480 . 0 0 "[ . 1]" 1
637 1 67 LYS QE 1 67 LYS QG 2.600 . 3.500 2.347 2.134 2.719 . 0 0 "[ . 1]" 1
638 1 78 ILE H 1 79 PRO HD2 4.900 . 6.000 5.021 4.365 5.242 . 0 0 "[ . 1]" 1
639 1 26 HIS HA 1 29 LYS HG3 3.700 . 5.400 4.567 3.478 5.416 0.016 9 0 "[ . 1]" 1
640 1 73 GLU HA 1 73 GLU QG 2.900 . 4.000 2.676 2.282 3.348 . 0 0 "[ . 1]" 1
641 1 62 MET HB3 1 62 MET ME 3.000 . 4.100 2.644 1.970 2.897 . 0 0 "[ . 1]" 1
642 1 34 SER QB 1 35 VAL QG 4.400 . 6.000 4.054 3.478 4.453 . 0 0 "[ . 1]" 1
643 1 11 LYS HE2 1 11 LYS HG3 3.600 . 5.200 3.611 2.991 3.817 . 0 0 "[ . 1]" 1
644 1 30 HIS HA 1 33 ALA MB 2.500 . 6.000 4.199 3.982 4.355 . 0 0 "[ . 1]" 1
645 1 12 MET ME 1 16 ALA H 4.100 . 6.000 4.511 4.177 4.962 . 0 0 "[ . 1]" 1
646 1 48 TRP HA 1 48 TRP HE3 3.000 . 4.100 3.033 2.730 3.245 . 0 0 "[ . 1]" 1
647 1 48 TRP H 1 48 TRP HB2 3.500 . 5.100 2.669 2.537 2.787 . 0 0 "[ . 1]" 1
648 1 72 ARG HA 1 72 ARG QD 4.000 . 6.000 3.090 1.977 4.324 0.023 8 0 "[ . 1]" 1
649 1 26 HIS HA 1 29 LYS HB3 3.800 . 5.600 3.777 2.664 4.796 . 0 0 "[ . 1]" 1
650 1 36 ASN HB2 1 39 GLU QB 2.700 . 3.600 2.125 1.764 3.659 0.059 9 0 "[ . 1]" 1
651 1 47 ARG HD3 1 47 ARG QG 2.400 . 3.100 2.317 2.175 2.377 . 0 0 "[ . 1]" 1
652 1 13 SER HB3 1 14 SER H 3.300 . 4.700 2.659 2.053 3.947 . 0 0 "[ . 1]" 1
653 1 78 ILE HB 1 79 PRO QD 4.100 . 6.000 4.275 4.155 4.347 . 0 0 "[ . 1]" 1
654 1 80 PRO HA 1 81 LYS H 2.200 . 2.800 2.229 2.144 2.417 . 0 0 "[ . 1]" 1
655 1 58 LYS QD 1 62 MET ME 2.100 . 6.000 3.635 3.064 4.078 . 0 0 "[ . 1]" 1
656 1 4 ASP HB2 1 5 PRO QD 3.700 . 5.500 3.919 3.361 4.304 . 0 0 "[ . 1]" 1
657 1 15 TYR QE 1 48 TRP QB 3.300 . 4.700 2.478 2.116 3.154 . 0 0 "[ . 1]" 1
658 1 77 TYR H 1 77 TYR HA 2.800 . 3.800 2.849 2.260 2.936 . 0 0 "[ . 1]" 1
659 1 15 TYR HA 1 15 TYR QD 3.000 . 4.200 2.129 1.869 2.579 . 0 0 "[ . 1]" 1
660 1 19 VAL QG 1 23 ARG QD 3.800 . 5.600 3.462 2.272 4.612 . 0 0 "[ . 1]" 1
661 1 6 LYS HB2 1 77 TYR QD 3.700 . 5.400 3.990 3.084 5.520 0.120 9 0 "[ . 1]" 1
662 1 51 MET ME 1 56 LYS HA 2.500 . 3.300 2.983 2.428 3.340 0.040 3 0 "[ . 1]" 1
663 1 23 ARG HA 1 23 ARG HG2 3.500 . 5.000 2.896 2.370 3.270 . 0 0 "[ . 1]" 1
664 1 39 GLU HB2 1 40 PHE H 2.700 . 3.600 2.492 2.197 3.878 0.278 9 0 "[ . 1]" 1
665 1 4 ASP HB2 1 5 PRO HD3 4.500 . 6.000 4.538 4.039 4.900 . 0 0 "[ . 1]" 1
666 1 33 ALA MB 1 35 VAL QG 3.000 . 4.200 3.866 2.724 4.155 . 0 0 "[ . 1]" 1
667 1 29 LYS HB2 1 29 LYS QE 4.000 . 6.000 3.482 2.065 4.130 . 0 0 "[ . 1]" 1
668 1 74 MET ME 1 77 TYR QD 2.400 . 3.100 2.561 1.962 2.966 . 0 0 "[ . 1]" 1
669 1 58 LYS HB3 1 58 LYS QE 3.500 . 5.000 2.574 1.815 4.459 0.185 2 0 "[ . 1]" 1
670 1 72 ARG QB 1 72 ARG HG2 2.500 . 3.300 2.330 2.155 2.396 . 0 0 "[ . 1]" 1
671 1 11 LYS QB 1 11 LYS HE3 3.800 . 5.600 3.451 2.621 4.320 . 0 0 "[ . 1]" 1
672 1 47 ARG H 1 47 ARG HA 2.900 . 3.900 2.807 2.780 2.830 . 0 0 "[ . 1]" 1
673 1 72 ARG HG2 1 73 GLU H 3.800 . 5.600 4.439 3.287 5.301 . 0 0 "[ . 1]" 1
674 1 15 TYR QD 1 18 PHE QE 4.100 . 6.000 5.185 4.545 5.866 . 0 0 "[ . 1]" 1
675 1 11 LYS HG2 1 70 TYR QD 3.500 . 5.000 3.491 2.767 4.152 . 0 0 "[ . 1]" 1
676 1 29 LYS HB3 1 29 LYS HG2 2.000 . 2.500 2.265 2.167 2.316 . 0 0 "[ . 1]" 1
677 1 26 HIS HB3 1 26 HIS HD2 3.700 . 5.400 3.886 3.459 3.973 . 0 0 "[ . 1]" 1
678 1 29 LYS HA 1 29 LYS HB3 2.400 . 3.100 2.495 2.430 2.682 . 0 0 "[ . 1]" 1
679 1 73 GLU HA 1 73 GLU HB2 2.700 . 3.600 2.523 2.395 2.653 . 0 0 "[ . 1]" 1
680 1 8 PRO HA 1 8 PRO HD2 4.000 . 6.000 3.976 3.901 4.092 . 0 0 "[ . 1]" 1
681 1 7 LYS QE 1 7 LYS HG3 2.500 . 3.300 2.584 2.289 3.434 0.134 6 0 "[ . 1]" 1
682 1 51 MET HA 1 51 MET HB2 3.200 . 4.500 2.727 2.490 2.968 . 0 0 "[ . 1]" 1
683 1 77 TYR HB3 1 77 TYR QE 4.200 . 6.000 4.425 4.391 4.510 . 0 0 "[ . 1]" 1
684 1 15 TYR QE 1 48 TRP HB3 3.600 . 5.200 2.586 2.174 3.315 . 0 0 "[ . 1]" 1
685 1 29 LYS HA 1 29 LYS HB2 2.300 . 2.900 2.453 2.374 2.529 . 0 0 "[ . 1]" 1
686 1 37 PHE HA 1 37 PHE QD 3.300 . 4.700 2.745 2.088 3.076 . 0 0 "[ . 1]" 1
687 1 78 ILE MD 1 78 ILE HG12 2.000 . 2.500 1.923 1.913 1.929 . 0 0 "[ . 1]" 1
688 1 78 ILE HB 1 78 ILE MD 1.900 . 2.400 1.973 1.962 1.977 . 0 0 "[ . 1]" 1
689 1 29 LYS H 1 29 LYS HA 2.600 . 3.400 2.878 2.808 2.927 . 0 0 "[ . 1]" 1
690 1 54 LYS QB 1 55 GLU H 3.100 . 4.300 2.614 2.381 3.354 . 0 0 "[ . 1]" 1
691 1 32 ASP HA 1 32 ASP HB3 2.300 . 3.000 2.528 2.422 3.021 0.021 7 0 "[ . 1]" 1
692 1 77 TYR QD 1 79 PRO HD2 4.700 . 6.000 4.593 4.192 5.060 . 0 0 "[ . 1]" 1
693 1 29 LYS HA 1 29 LYS QE 4.300 . 6.000 4.685 4.353 4.968 . 0 0 "[ . 1]" 1
694 1 58 LYS HB2 1 58 LYS HG2 3.000 . 4.100 2.951 2.424 3.014 . 0 0 "[ . 1]" 1
695 1 70 TYR H 1 70 TYR HB3 3.200 . 4.500 2.411 2.218 2.553 . 0 0 "[ . 1]" 1
696 1 48 TRP QB 1 49 LYS HB2 4.500 . 6.000 4.635 4.464 4.757 . 0 0 "[ . 1]" 1
697 1 60 GLU HG3 1 61 ASP H 4.000 . 6.000 4.613 3.684 4.997 . 0 0 "[ . 1]" 1
698 1 8 PRO HA 1 8 PRO HB3 2.900 . 4.000 2.285 2.257 2.311 . 0 0 "[ . 1]" 1
699 1 29 LYS HA 1 30 HIS H 3.000 . 4.100 3.455 3.278 3.544 . 0 0 "[ . 1]" 1
700 1 62 MET H 1 62 MET HG2 3.000 . 4.200 3.202 2.252 3.476 . 0 0 "[ . 1]" 1
701 1 47 ARG HB3 1 48 TRP H 3.300 . 4.700 2.616 2.310 3.444 . 0 0 "[ . 1]" 1
702 1 77 TYR QE 1 78 ILE HA 3.500 . 5.100 5.122 5.023 5.229 0.129 3 0 "[ . 1]" 1
703 1 7 LYS HA 1 77 TYR QD 3.400 . 4.800 3.572 3.010 4.309 . 0 0 "[ . 1]" 1
704 1 7 LYS HB2 1 7 LYS HG2 3.000 . 4.100 2.951 2.469 3.009 . 0 0 "[ . 1]" 1
705 1 14 SER HA 1 14 SER QB 3.100 . 4.300 2.258 2.181 2.369 . 0 0 "[ . 1]" 1
706 1 2 LYS HA 1 2 LYS QB 2.100 . 2.600 2.335 2.181 2.425 . 0 0 "[ . 1]" 1
707 1 64 LYS QD 1 64 LYS QE 2.100 . 2.600 2.034 1.998 2.091 . 0 0 "[ . 1]" 1
708 1 17 PHE HB3 1 17 PHE QD 3.400 . 4.800 2.322 2.262 2.388 . 0 0 "[ . 1]" 1
709 1 77 TYR HA 1 78 ILE HB 3.900 . 5.800 4.617 4.554 4.707 . 0 0 "[ . 1]" 1
710 1 78 ILE HA 1 78 ILE HG13 2.200 . 6.000 2.400 2.358 2.440 . 0 0 "[ . 1]" 1
711 1 59 PHE HB3 1 62 MET ME 2.800 . 3.800 3.616 3.404 3.822 0.022 9 0 "[ . 1]" 1
712 1 43 LYS H 1 43 LYS HD3 3.700 . 5.400 4.372 3.829 4.783 . 0 0 "[ . 1]" 1
713 1 6 LYS HA 1 6 LYS QB 2.100 . 2.600 2.367 2.296 2.458 . 0 0 "[ . 1]" 1
714 1 60 GLU HA 1 60 GLU QB 3.100 . 4.300 2.367 2.330 2.407 . 0 0 "[ . 1]" 1
715 1 6 LYS H 1 6 LYS HA 2.700 . 3.600 2.943 2.936 2.947 . 0 0 "[ . 1]" 1
716 1 26 HIS HD2 1 35 VAL QG 3.600 . 6.000 5.218 4.297 5.983 . 0 0 "[ . 1]" 1
717 1 47 ARG HD2 1 47 ARG QG 2.300 . 2.900 2.336 2.173 2.383 . 0 0 "[ . 1]" 1
718 1 29 LYS HB2 1 29 LYS HD2 1.900 . 2.400 2.330 2.250 2.377 . 0 0 "[ . 1]" 1
719 1 29 LYS H 1 29 LYS HG3 2.500 . 3.300 2.433 1.993 3.130 . 0 0 "[ . 1]" 1
720 1 23 ARG H 1 23 ARG HG2 4.000 . 6.000 4.363 4.207 4.563 . 0 0 "[ . 1]" 1
721 1 67 LYS H 1 67 LYS QE 3.000 . 6.000 5.395 4.143 6.007 0.007 7 0 "[ . 1]" 1
722 1 78 ILE HA 1 79 PRO HD2 2.300 . 3.000 2.370 1.880 2.607 . 0 0 "[ . 1]" 1
723 1 58 LYS HA 1 58 LYS HG3 3.000 . 4.200 2.774 2.616 3.454 . 0 0 "[ . 1]" 1
724 1 41 SER QB 2 43 LEU QD 3.500 . 5.000 3.994 3.397 4.510 . 0 0 "[ . 1]" 1
725 1 78 ILE MG 1 79 PRO HB3 4.300 . 6.000 5.288 5.180 5.516 . 0 0 "[ . 1]" 1
726 1 47 ARG QB 1 47 ARG HD2 3.100 . 4.300 2.459 2.268 3.335 . 0 0 "[ . 1]" 1
727 1 39 GLU H 1 39 GLU HG2 2.400 . 3.100 2.315 1.970 2.880 . 0 0 "[ . 1]" 1
728 1 30 HIS HA 1 31 PRO HB3 5.200 . 6.000 5.499 5.103 5.607 . 0 0 "[ . 1]" 1
729 1 61 ASP HA 1 61 ASP HB3 3.000 . 4.200 2.976 2.535 3.030 . 0 0 "[ . 1]" 1
730 1 47 ARG H 1 47 ARG HD3 4.400 . 6.000 5.052 4.760 5.923 . 0 0 "[ . 1]" 1
731 1 40 PHE QR 2 54 PHE QD 3.800 . 5.600 5.406 4.675 5.738 0.138 8 0 "[ . 1]" 1
732 1 34 SER HA 1 35 VAL QG 3.100 . 4.300 3.318 3.200 3.457 . 0 0 "[ . 1]" 1
733 1 77 TYR HA 1 77 TYR HB2 3.000 . 4.200 2.444 2.382 2.520 . 0 0 "[ . 1]" 1
734 1 12 MET ME 1 20 GLN HE22 3.100 . 4.300 3.124 2.280 4.242 . 0 0 "[ . 1]" 1
735 1 59 PHE HA 1 62 MET ME 2.500 . 3.300 1.988 1.786 2.265 . 0 0 "[ . 1]" 1
736 1 13 SER HB2 1 14 SER H 3.700 . 5.400 3.317 2.027 3.890 . 0 0 "[ . 1]" 1
737 1 45 SER H 1 45 SER HB2 3.000 . 4.100 2.958 2.478 3.626 . 0 0 "[ . 1]" 1
738 1 78 ILE HB 1 78 ILE HG13 2.600 . 3.400 3.013 3.004 3.017 . 0 0 "[ . 1]" 1
739 1 52 SER HA 1 53 ALA MB 4.100 . 6.000 3.832 3.626 3.939 . 0 0 "[ . 1]" 1
740 1 58 LYS H 1 58 LYS HG3 4.500 . 6.000 4.481 4.241 4.550 . 0 0 "[ . 1]" 1
741 1 39 GLU H 1 39 GLU HB2 2.800 . 3.800 2.573 2.159 3.592 . 0 0 "[ . 1]" 1
742 1 37 PHE QB 1 37 PHE QE 3.700 . 5.400 3.929 3.916 3.968 . 0 0 "[ . 1]" 1
743 1 23 ARG HB2 1 23 ARG HG3 2.900 . 3.900 2.303 2.200 2.552 . 0 0 "[ . 1]" 1
744 1 23 ARG HG2 1 40 PHE HZ 4.300 . 6.000 5.413 4.616 6.252 0.252 3 0 "[ . 1]" 1
745 1 65 ALA MB 1 66 ASP QB 3.900 . 5.800 3.749 3.472 4.026 . 0 0 "[ . 1]" 1
746 1 20 GLN QG 2 45 LEU QD 3.400 . 4.900 3.189 2.753 3.733 . 0 0 "[ . 1]" 1
747 1 51 MET ME 1 59 PHE QE 2.400 . 3.100 2.216 1.682 2.914 0.018 9 0 "[ . 1]" 1
748 1 35 VAL HB 1 35 VAL QG 2.200 . 2.800 1.890 1.884 1.893 . 0 0 "[ . 1]" 1
749 1 19 VAL QG 1 44 CYS HB2 3.300 . 4.700 2.638 2.218 3.076 . 0 0 "[ . 1]" 1
750 1 8 PRO HA 1 8 PRO HD3 3.700 . 5.400 3.744 3.371 3.991 . 0 0 "[ . 1]" 1
751 1 29 LYS HA 1 29 LYS HB3 2.300 . 3.000 2.484 2.422 2.661 . 0 0 "[ . 1]" 1
752 1 64 LYS H 1 64 LYS QD 3.200 . 4.500 3.840 3.359 4.208 . 0 0 "[ . 1]" 1
753 1 60 GLU HA 1 60 GLU HG2 3.100 . 4.300 3.229 2.715 3.818 . 0 0 "[ . 1]" 1
754 1 53 ALA HA 1 56 LYS H 3.600 . 5.200 3.288 3.079 3.468 . 0 0 "[ . 1]" 1
755 1 35 VAL QG 1 39 GLU QG 4.300 . 6.000 5.476 3.600 5.800 . 0 0 "[ . 1]" 1
756 1 67 LYS HB2 1 67 LYS QE 3.700 . 5.400 3.839 2.644 4.531 . 0 0 "[ . 1]" 1
757 1 78 ILE HG12 1 79 PRO HD3 5.000 . 6.000 5.616 5.245 6.256 0.256 3 0 "[ . 1]" 1
758 1 18 PHE QE 1 47 ARG HD3 3.800 . 5.600 3.573 2.246 4.629 . 0 0 "[ . 1]" 1
759 1 29 LYS QE 1 29 LYS HG3 2.400 . 3.100 2.436 2.267 3.032 . 0 0 "[ . 1]" 1
760 1 6 LYS HA 1 6 LYS QG 2.400 . 3.100 2.588 2.350 3.117 0.017 6 0 "[ . 1]" 1
761 1 18 PHE HA 1 59 PHE QD 3.600 . 5.200 2.733 2.309 3.259 . 0 0 "[ . 1]" 1
762 1 23 ARG HG2 1 35 VAL QG 2.800 . 3.800 3.118 2.216 4.740 0.940 3 1 "[ + . 1]" 1
763 1 31 PRO HA 1 31 PRO HD3 3.400 . 4.800 3.818 3.522 3.930 . 0 0 "[ . 1]" 1
764 1 21 THR MG 1 59 PHE HZ 2.600 . 6.000 3.827 3.566 4.384 . 0 0 "[ . 1]" 1
765 1 60 GLU QG 1 63 ALA MB 2.800 . 3.800 3.464 2.941 3.880 0.080 3 0 "[ . 1]" 1
766 1 36 ASN HB2 1 39 GLU HG2 3.500 . 5.000 2.766 2.051 3.402 . 0 0 "[ . 1]" 1
767 1 32 ASP HB3 1 33 ALA H 3.900 . 5.800 4.135 3.221 4.515 . 0 0 "[ . 1]" 1
768 1 17 PHE HB2 1 17 PHE QD 3.500 . 5.000 2.460 2.375 2.591 . 0 0 "[ . 1]" 1
769 1 26 HIS HE1 1 35 VAL QG 4.000 . 4.400 3.232 2.768 3.609 . 0 0 "[ . 1]" 1
770 1 56 LYS HA 1 56 LYS HD3 4.300 . 6.000 4.379 4.220 4.462 . 0 0 "[ . 1]" 1
771 1 7 LYS HG2 1 8 PRO HD2 3.500 . 5.000 3.621 2.873 4.834 . 0 0 "[ . 1]" 1
772 1 78 ILE MG 1 79 PRO HG2 3.700 . 5.400 4.658 4.322 5.014 . 0 0 "[ . 1]" 1
773 1 12 MET ME 1 17 PHE HA 2.600 . 3.400 2.979 2.495 3.513 0.113 3 0 "[ . 1]" 1
774 1 27 LYS H 1 27 LYS QD 3.500 . 5.100 4.213 3.712 4.692 . 0 0 "[ . 1]" 1
775 1 30 HIS HB3 1 31 PRO QG 4.800 . 6.000 5.629 5.286 5.739 . 0 0 "[ . 1]" 1
776 1 19 VAL QG 1 40 PHE QE 2.700 . 3.600 1.908 1.804 2.225 . 0 0 "[ . 1]" 1
777 1 11 LYS H 1 11 LYS QB 3.100 . 4.300 2.557 2.356 3.122 . 0 0 "[ . 1]" 1
778 1 8 PRO HB3 1 8 PRO HD2 3.300 . 4.700 2.201 2.168 2.235 . 0 0 "[ . 1]" 1
779 1 20 GLN QG 2 54 PHE QD 4.100 . 6.000 5.478 4.438 6.066 0.066 3 0 "[ . 1]" 1
780 1 9 ARG H 1 9 ARG HG3 3.600 . 5.200 4.040 3.018 4.546 . 0 0 "[ . 1]" 1
781 1 31 PRO HB2 1 31 PRO HD3 3.900 . 5.800 3.900 3.876 3.956 . 0 0 "[ . 1]" 1
782 1 78 ILE HG13 1 78 ILE MG 2.400 . 3.100 2.566 2.544 2.610 . 0 0 "[ . 1]" 1
783 1 64 LYS H 1 64 LYS HG3 2.800 . 3.800 2.828 2.132 3.761 . 0 0 "[ . 1]" 1
784 1 31 PRO HA 1 31 PRO HB3 2.300 . 3.000 2.277 2.253 2.286 . 0 0 "[ . 1]" 1
785 1 26 HIS HA 1 30 HIS HD2 3.100 . 4.300 3.952 3.267 4.321 0.021 6 0 "[ . 1]" 1
786 1 4 ASP HA 1 5 PRO QD 1.900 . 2.400 1.963 1.728 2.405 0.005 1 0 "[ . 1]" 1
787 1 70 TYR QD 1 71 GLU HG3 3.200 . 4.500 3.573 2.375 4.534 0.034 10 0 "[ . 1]" 1
788 1 59 PHE H 1 59 PHE HB2 4.200 . 6.000 2.456 2.372 2.512 . 0 0 "[ . 1]" 1
789 1 76 THR MG 1 77 TYR HB2 3.800 . 5.600 5.601 4.528 5.805 0.205 5 0 "[ . 1]" 1
790 1 7 LYS HB2 1 77 TYR QE 4.100 . 6.000 4.396 3.047 5.424 . 0 0 "[ . 1]" 1
791 1 22 CYS HB2 1 40 PHE QE 3.700 . 5.400 2.520 1.955 3.456 0.045 5 0 "[ . 1]" 1
792 1 72 ARG H 1 73 GLU HA 3.300 . 6.000 5.228 5.006 5.390 . 0 0 "[ . 1]" 1
793 1 49 LYS QE 1 50 THR MG 2.700 . 6.000 5.844 5.607 6.022 0.022 7 0 "[ . 1]" 1
794 1 8 PRO HB3 1 70 TYR QE 3.000 . 4.100 3.107 2.474 4.139 0.039 8 0 "[ . 1]" 1
795 1 31 PRO HG2 1 32 ASP H 4.200 . 6.000 3.969 2.774 4.334 . 0 0 "[ . 1]" 1
796 1 39 GLU HA 1 39 GLU HG3 3.200 . 4.500 3.726 3.645 3.786 . 0 0 "[ . 1]" 1
797 1 70 TYR QE 1 74 MET QG 3.600 . 5.200 3.273 2.625 4.198 . 0 0 "[ . 1]" 1
798 1 79 PRO HA 1 80 PRO HD3 1.900 . 2.400 1.984 1.799 2.392 . 0 0 "[ . 1]" 1
799 1 64 LYS H 1 64 LYS HA 2.800 . 3.700 2.832 2.806 2.859 . 0 0 "[ . 1]" 1
800 1 78 ILE HA 1 78 ILE MD 3.200 . 4.400 3.153 3.045 3.259 . 0 0 "[ . 1]" 1
801 1 12 MET ME 1 20 GLN QG 3.600 . 5.200 3.019 2.040 3.993 . 0 0 "[ . 1]" 1
802 1 26 HIS HA 1 26 HIS HD2 3.700 . 5.400 2.765 2.595 2.991 . 0 0 "[ . 1]" 1
803 1 56 LYS HB3 1 56 LYS QD 3.000 . 4.200 2.409 2.272 2.488 . 0 0 "[ . 1]" 1
804 1 7 LYS HA 1 7 LYS HB3 2.700 . 3.600 2.675 2.434 3.017 . 0 0 "[ . 1]" 1
805 1 78 ILE MD 1 78 ILE HG13 2.100 . 2.600 2.026 2.021 2.034 . 0 0 "[ . 1]" 1
806 1 60 GLU H 1 60 GLU HG2 3.800 . 5.600 4.480 4.389 4.598 . 0 0 "[ . 1]" 1
807 1 7 LYS HG2 1 77 TYR QD 4.000 . 6.000 4.599 3.851 5.555 . 0 0 "[ . 1]" 1
808 1 35 VAL QG 1 37 PHE QE 3.100 . 6.000 4.655 3.631 5.683 . 0 0 "[ . 1]" 1
809 1 40 PHE QR 1 43 LYS HG3 3.500 . 5.000 4.463 4.155 5.015 0.015 1 0 "[ . 1]" 1
810 1 30 HIS HA 1 31 PRO HG3 4.600 . 6.000 4.341 4.143 4.512 . 0 0 "[ . 1]" 1
811 1 19 VAL QG 1 40 PHE HZ 3.900 . 5.800 3.755 3.310 4.176 . 0 0 "[ . 1]" 1
812 1 17 PHE QE 1 62 MET ME 3.600 . 5.200 4.542 3.340 5.241 0.041 9 0 "[ . 1]" 1
813 1 61 ASP HB2 1 62 MET H 3.800 . 5.600 3.760 2.399 4.033 . 0 0 "[ . 1]" 1
814 1 27 LYS QE 1 31 PRO HA 2.800 . 6.000 4.146 2.650 5.863 . 0 0 "[ . 1]" 1
815 1 60 GLU H 1 60 GLU HA 3.000 . 4.100 2.836 2.806 2.856 . 0 0 "[ . 1]" 1
816 1 78 ILE HG13 1 79 PRO HD2 4.500 . 6.000 4.270 4.095 4.462 . 0 0 "[ . 1]" 1
817 1 60 GLU HA 1 60 GLU HG3 3.100 . 4.300 2.672 2.430 3.205 . 0 0 "[ . 1]" 1
818 1 12 MET HB2 1 13 SER H 4.300 . 6.000 3.651 2.617 4.387 . 0 0 "[ . 1]" 1
819 1 34 SER HA 1 34 SER QB 2.300 . 3.000 2.358 2.198 2.483 . 0 0 "[ . 1]" 1
820 1 70 TYR QD 1 74 MET QB 3.600 . 5.200 3.853 3.100 4.403 . 0 0 "[ . 1]" 1
821 1 6 LYS HA 1 6 LYS HB3 2.200 . 2.800 2.475 2.380 2.614 . 0 0 "[ . 1]" 1
822 1 5 PRO HA 1 6 LYS H 2.400 . 3.100 3.191 3.144 3.304 0.204 10 0 "[ . 1]" 1
823 1 79 PRO HD2 1 79 PRO HG2 2.000 . 2.500 2.304 2.257 2.323 . 0 0 "[ . 1]" 1
824 1 58 LYS HA 1 58 LYS QG 2.700 . 3.600 2.625 2.479 3.244 . 0 0 "[ . 1]" 1
825 1 12 MET H 1 12 MET HG3 3.500 . 5.000 2.211 1.956 2.619 0.044 9 0 "[ . 1]" 1
826 1 77 TYR H 1 77 TYR QD 4.500 . 6.000 4.230 4.100 4.442 . 0 0 "[ . 1]" 1
827 1 75 LYS HA 1 75 LYS HD3 2.400 . 3.100 2.307 1.688 3.044 0.012 9 0 "[ . 1]" 1
828 1 83 GLU HA 1 83 GLU QG 3.500 . 5.000 2.749 2.393 3.452 . 0 0 "[ . 1]" 1
829 1 41 SER H 1 41 SER QB 3.000 . 4.100 2.477 2.244 2.639 . 0 0 "[ . 1]" 1
830 1 78 ILE MG 1 79 PRO HB2 4.300 . 6.000 4.576 4.209 5.275 . 0 0 "[ . 1]" 1
831 1 4 ASP HB2 1 7 LYS QB 3.400 . 4.800 3.193 1.932 4.003 0.068 3 0 "[ . 1]" 1
832 1 31 PRO HA 1 31 PRO HD2 3.500 . 5.100 3.933 3.899 4.085 . 0 0 "[ . 1]" 1
833 1 64 LYS H 1 64 LYS HG2 3.100 . 4.300 2.868 1.958 3.782 . 0 0 "[ . 1]" 1
834 1 77 TYR QE 1 79 PRO HB3 3.000 . 4.100 3.220 1.876 3.722 0.024 9 0 "[ . 1]" 1
835 1 12 MET HB3 1 13 SER H 3.400 . 4.900 2.678 1.765 3.584 0.135 7 0 "[ . 1]" 1
836 1 57 GLY HA3 1 60 GLU QG 4.700 . 6.000 5.531 4.804 5.884 . 0 0 "[ . 1]" 1
837 1 43 LYS HA 1 43 LYS QB 2.500 . 3.300 2.184 2.159 2.315 . 0 0 "[ . 1]" 1
838 1 40 PHE QD 1 43 LYS QE 3.400 . 4.800 3.676 2.746 4.817 0.017 3 0 "[ . 1]" 1
839 1 4 ASP HB3 1 5 PRO HB3 3.900 . 5.800 5.176 3.993 5.564 . 0 0 "[ . 1]" 1
840 1 17 PHE QE 1 66 ASP QB 3.200 . 4.500 2.545 1.884 3.045 0.016 3 0 "[ . 1]" 1
841 1 33 ALA HA 1 34 SER QB 4.000 . 6.000 4.386 4.022 4.565 . 0 0 "[ . 1]" 1
842 1 78 ILE HB 1 78 ILE MG 1.900 . 2.400 2.128 2.127 2.129 . 0 0 "[ . 1]" 1
843 1 74 MET H 1 74 MET ME 3.300 . 4.600 3.910 3.352 4.556 . 0 0 "[ . 1]" 1
844 1 8 PRO HD3 1 77 TYR QD 3.500 . 5.000 3.574 2.991 4.467 . 0 0 "[ . 1]" 1
845 1 68 ALA HA 1 71 GLU HG3 3.400 . 4.800 2.992 2.245 3.909 . 0 0 "[ . 1]" 1
846 1 12 MET HG2 1 13 SER H 3.900 . 5.800 4.243 4.021 4.404 . 0 0 "[ . 1]" 1
847 1 29 LYS HA 1 29 LYS HG2 2.500 . 3.300 2.598 2.483 2.711 . 0 0 "[ . 1]" 1
848 1 30 HIS HB2 1 30 HIS HD2 3.000 . 4.100 2.806 2.729 2.928 . 0 0 "[ . 1]" 1
849 1 58 LYS HG3 1 62 MET ME 3.800 . 5.600 3.729 2.996 4.212 . 0 0 "[ . 1]" 1
850 1 68 ALA HA 1 71 GLU HG2 4.100 . 6.000 4.083 3.280 5.139 . 0 0 "[ . 1]" 1
851 1 39 GLU H 1 39 GLU HB3 3.600 . 5.200 3.451 2.381 3.621 . 0 0 "[ . 1]" 1
852 1 2 LYS HA 1 2 LYS QG 2.600 . 3.500 2.831 2.335 3.474 . 0 0 "[ . 1]" 1
853 1 83 GLU HA 1 83 GLU HB2 3.000 . 4.100 2.869 2.455 3.026 . 0 0 "[ . 1]" 1
854 1 30 HIS H 1 30 HIS HA 2.700 . 3.600 2.933 2.900 2.946 . 0 0 "[ . 1]" 1
855 1 51 MET ME 1 56 LYS H 3.100 . 4.300 3.367 2.779 4.328 0.028 3 0 "[ . 1]" 1
856 1 17 PHE HB2 1 63 ALA MB 3.500 . 5.000 2.948 2.416 3.598 . 0 0 "[ . 1]" 1
857 1 78 ILE H 1 78 ILE MD 3.200 . 4.500 2.198 2.074 2.296 . 0 0 "[ . 1]" 1
858 1 58 LYS H 1 58 LYS HG2 4.100 . 6.000 4.401 4.323 4.518 . 0 0 "[ . 1]" 1
859 1 55 GLU HA 1 55 GLU HB3 2.400 . 3.100 2.485 2.418 2.594 . 0 0 "[ . 1]" 1
860 1 18 PHE HZ 1 47 ARG QB 3.700 . 5.400 2.551 2.185 3.066 . 0 0 "[ . 1]" 1
861 1 7 LYS HB3 1 77 TYR QE 4.300 . 6.000 4.486 1.977 5.250 0.023 5 0 "[ . 1]" 1
862 1 26 HIS HE1 1 33 ALA MB 2.900 . 4.000 2.598 1.915 4.177 0.177 3 0 "[ . 1]" 1
863 1 5 PRO HA 1 5 PRO HB2 2.300 . 2.900 2.718 2.659 2.903 0.003 10 0 "[ . 1]" 1
864 1 35 VAL HA 1 35 VAL HB 2.600 . 3.500 2.396 2.343 2.503 . 0 0 "[ . 1]" 1
865 1 15 TYR HA 1 18 PHE HB2 4.200 . 6.000 3.837 3.522 4.461 . 0 0 "[ . 1]" 1
866 1 9 ARG QD 1 9 ARG HG2 2.400 . 3.100 2.261 2.152 2.532 . 0 0 "[ . 1]" 1
867 1 70 TYR QB 1 70 TYR QD 2.800 . 3.800 2.127 2.119 2.138 . 0 0 "[ . 1]" 1
868 1 8 PRO HD2 1 77 TYR QD 3.400 . 4.900 4.167 2.528 5.000 0.100 1 0 "[ . 1]" 1
869 1 26 HIS HD2 1 30 HIS HD2 3.500 . 5.000 3.082 2.524 3.655 . 0 0 "[ . 1]" 1
870 1 12 MET HB3 1 12 MET ME 2.900 . 3.900 2.446 1.921 2.851 . 0 0 "[ . 1]" 1
871 1 29 LYS H 1 29 LYS HD2 4.200 . 6.000 4.120 3.632 4.870 . 0 0 "[ . 1]" 1
872 1 20 GLN QB 1 20 GLN QG 2.300 . 3.000 2.057 1.999 2.084 . 0 0 "[ . 1]" 1
873 1 5 PRO HA 1 5 PRO QD 3.200 . 4.500 3.494 3.457 3.538 . 0 0 "[ . 1]" 1
874 1 23 ARG HA 1 23 ARG HG3 3.500 . 5.000 3.164 2.297 3.930 . 0 0 "[ . 1]" 1
875 1 4 ASP HB3 1 7 LYS HB3 3.100 . 4.300 3.283 1.862 4.730 0.430 4 0 "[ . 1]" 1
876 1 17 PHE HZ 1 63 ALA HA 3.700 . 5.400 3.388 2.465 4.059 . 0 0 "[ . 1]" 1
877 1 77 TYR QE 1 79 PRO HG2 4.000 . 6.000 4.614 3.800 5.401 . 0 0 "[ . 1]" 1
878 1 61 ASP HA 1 61 ASP HB2 2.600 . 3.500 2.492 2.367 3.034 . 0 0 "[ . 1]" 1
879 1 77 TYR HA 1 77 TYR HB3 2.500 . 3.300 3.024 3.010 3.033 . 0 0 "[ . 1]" 1
880 1 64 LYS H 1 64 LYS QB 2.500 . 3.300 2.459 2.318 2.603 . 0 0 "[ . 1]" 1
881 1 12 MET HB3 1 17 PHE QE 3.900 . 5.800 4.552 3.683 5.362 . 0 0 "[ . 1]" 1
882 1 4 ASP HB3 1 7 LYS HB3 4.100 . 6.000 4.953 3.791 6.612 0.612 4 1 "[ +. 1]" 1
883 1 18 PHE QD 1 19 VAL QG . . 4.100 2.447 2.021 3.672 . 0 0 "[ . 1]" 1
884 1 11 LYS HA 1 11 LYS HG3 3.500 . 5.000 3.360 2.887 3.811 . 0 0 "[ . 1]" 1
885 1 26 HIS HA 1 29 LYS HB2 3.100 . 4.300 3.242 2.820 3.754 . 0 0 "[ . 1]" 1
886 1 81 LYS HA 1 81 LYS QG 2.600 . 3.400 2.838 2.351 3.070 . 0 0 "[ . 1]" 1
887 1 16 ALA MB 2 45 LEU QD 2.900 . 4.000 1.783 1.734 2.013 0.066 2 0 "[ . 1]" 1
888 1 77 TYR QE 1 79 PRO HD3 3.800 . 5.600 3.995 3.353 4.704 . 0 0 "[ . 1]" 1
889 1 78 ILE H 1 78 ILE HG12 3.600 . 5.200 4.253 4.158 4.344 . 0 0 "[ . 1]" 1
890 1 29 LYS HB2 1 30 HIS HD2 2.800 . 3.800 2.964 2.385 3.809 0.009 9 0 "[ . 1]" 1
891 1 72 ARG HA 1 72 ARG HG3 2.900 . 4.000 3.345 2.353 3.819 . 0 0 "[ . 1]" 1
892 1 18 PHE HZ 1 47 ARG HD2 3.600 . 5.200 3.606 2.213 4.972 . 0 0 "[ . 1]" 1
893 1 40 PHE HB2 1 40 PHE QD 3.000 . 4.100 2.457 2.259 2.587 . 0 0 "[ . 1]" 1
894 1 12 MET HG3 1 13 SER H 4.000 . 6.000 4.920 4.520 5.144 . 0 0 "[ . 1]" 1
895 1 23 ARG QD 1 40 PHE QE 3.900 . 5.800 4.129 2.358 4.949 . 0 0 "[ . 1]" 1
896 1 29 LYS HB3 1 29 LYS HG3 2.400 . 3.100 2.458 2.315 2.682 . 0 0 "[ . 1]" 1
897 1 72 ARG HA 1 72 ARG HG2 2.800 . 3.800 3.012 2.440 3.610 . 0 0 "[ . 1]" 1
898 1 18 PHE HZ 1 47 ARG HG3 3.400 . 4.900 4.313 3.511 4.747 . 0 0 "[ . 1]" 1
899 1 10 GLY QA 1 11 LYS HG3 3.100 . 6.000 4.052 3.101 5.393 . 0 0 "[ . 1]" 1
900 1 41 SER QB 1 42 LYS H 3.300 . 4.500 2.858 2.564 3.274 . 0 0 "[ . 1]" 1
901 1 49 LYS H 1 50 THR MG 3.700 . 5.400 4.202 3.933 4.406 . 0 0 "[ . 1]" 1
902 1 37 PHE HA 1 37 PHE HB3 2.900 . 4.000 2.685 2.541 3.024 . 0 0 "[ . 1]" 1
903 1 48 TRP HZ3 1 51 MET ME 2.500 . 3.300 2.861 2.498 3.320 0.020 9 0 "[ . 1]" 1
904 1 47 ARG H 1 47 ARG HD2 4.400 . 6.000 4.803 4.113 5.173 . 0 0 "[ . 1]" 1
905 1 5 PRO HB2 1 5 PRO HD3 3.900 . 5.800 4.001 3.943 4.110 . 0 0 "[ . 1]" 1
906 1 8 PRO HD3 1 77 TYR QE 3.900 . 5.800 4.290 3.437 5.709 . 0 0 "[ . 1]" 1
907 1 62 MET ME 1 62 MET HG2 2.600 . 3.400 3.218 2.473 3.406 0.006 10 0 "[ . 1]" 1
908 1 38 SER HA 1 39 GLU H 3.600 . 5.200 3.529 3.485 3.558 . 0 0 "[ . 1]" 1
909 1 15 TYR QE 2 43 LEU HB3 3.600 . 5.200 3.751 1.994 4.734 0.006 6 0 "[ . 1]" 1
910 1 15 TYR QB 1 15 TYR QD 2.900 . 4.000 2.267 2.194 2.330 . 0 0 "[ . 1]" 1
911 1 78 ILE HB 1 79 PRO HD3 4.300 . 6.000 4.812 4.629 5.150 . 0 0 "[ . 1]" 1
912 1 12 MET H 1 12 MET ME 4.000 . 6.000 4.107 3.600 4.658 . 0 0 "[ . 1]" 1
913 1 77 TYR QD 1 79 PRO HB2 4.200 . 6.000 5.482 4.836 5.947 . 0 0 "[ . 1]" 1
914 1 5 PRO HD3 1 6 LYS H 4.300 . 6.000 3.943 3.759 4.127 . 0 0 "[ . 1]" 1
915 1 75 LYS H 1 75 LYS HG2 2.700 . 6.000 3.066 2.160 4.593 . 0 0 "[ . 1]" 1
916 1 77 TYR HA 1 78 ILE HG13 4.000 . 6.000 4.977 4.781 5.173 . 0 0 "[ . 1]" 1
917 1 7 LYS HG3 1 77 TYR QE 3.200 . 4.500 3.351 2.275 4.674 0.174 5 0 "[ . 1]" 1
918 1 39 GLU H 1 39 GLU HG3 3.400 . 4.900 3.620 3.502 3.793 . 0 0 "[ . 1]" 1
919 1 78 ILE HA 1 78 ILE HB 2.600 . 3.400 3.028 3.025 3.033 . 0 0 "[ . 1]" 1
920 1 61 ASP HB3 1 62 MET H 3.300 . 4.700 2.679 2.491 3.332 . 0 0 "[ . 1]" 1
921 1 25 GLU HB3 1 25 GLU HG2 1.900 . 2.300 2.395 2.305 2.466 0.166 7 0 "[ . 1]" 1
922 1 11 LYS HD3 1 70 TYR QD 4.300 . 6.000 4.651 3.696 5.392 . 0 0 "[ . 1]" 1
923 1 8 PRO HD2 1 77 TYR QE 3.900 . 5.800 4.482 3.439 5.180 . 0 0 "[ . 1]" 1
924 1 19 VAL QG 1 20 GLN QG 4.000 . 6.000 4.970 4.198 5.303 . 0 0 "[ . 1]" 1
925 1 31 PRO HA 1 31 PRO HB2 2.600 . 3.500 2.919 2.727 2.959 . 0 0 "[ . 1]" 1
926 1 63 ALA HA 1 66 ASP HB2 3.300 . 4.700 3.531 3.071 4.411 . 0 0 "[ . 1]" 1
927 1 9 ARG HD3 1 9 ARG HG3 2.500 . 3.300 2.501 2.360 2.816 . 0 0 "[ . 1]" 1
928 1 18 PHE HA 1 59 PHE QE 3.600 . 5.200 3.045 2.518 3.676 . 0 0 "[ . 1]" 1
929 1 48 TRP HD1 1 49 LYS HA 3.500 . 5.000 3.035 2.764 3.313 . 0 0 "[ . 1]" 1
930 1 49 LYS QE 2 43 LEU MD1 2.700 . 3.600 3.403 3.062 3.677 0.077 7 0 "[ . 1]" 1
931 1 73 GLU QG 1 74 MET ME 3.200 . 4.500 3.833 2.612 4.351 . 0 0 "[ . 1]" 1
932 1 11 LYS HE3 1 70 TYR QE 3.400 . 4.800 3.842 1.994 4.837 0.037 6 0 "[ . 1]" 1
933 1 8 PRO HB2 1 70 TYR QD 3.900 . 5.800 2.167 1.897 3.035 0.103 3 0 "[ . 1]" 1
934 1 18 PHE HA 1 18 PHE QD 3.300 . 4.600 2.745 2.582 3.063 . 0 0 "[ . 1]" 1
935 1 5 PRO HD3 1 5 PRO QG 2.200 . 2.800 2.201 2.181 2.220 . 0 0 "[ . 1]" 1
936 1 5 PRO HA 1 5 PRO HB3 2.200 . 2.800 2.285 2.220 2.306 . 0 0 "[ . 1]" 1
937 1 22 CYS HA 1 25 GLU QB 2.700 . 3.600 2.808 2.186 3.605 0.005 10 0 "[ . 1]" 1
938 1 30 HIS HA 1 31 PRO HD2 2.500 . 3.300 2.485 2.030 2.658 . 0 0 "[ . 1]" 1
939 1 18 PHE HB3 1 18 PHE QD 3.100 . 4.300 2.281 2.259 2.317 . 0 0 "[ . 1]" 1
940 1 45 SER H 1 45 SER HB3 2.700 . 3.600 2.699 2.464 3.608 0.008 9 0 "[ . 1]" 1
941 1 77 TYR HB2 1 77 TYR QD 2.400 . 3.100 2.454 2.317 2.763 . 0 0 "[ . 1]" 1
942 1 62 MET HB2 1 63 ALA H 3.400 . 4.900 3.064 2.691 4.025 . 0 0 "[ . 1]" 1
943 1 18 PHE QE 1 47 ARG HD2 3.900 . 5.800 4.554 3.576 5.792 . 0 0 "[ . 1]" 1
944 1 78 ILE MD 1 78 ILE HG13 1.800 . 2.200 2.122 2.120 2.125 . 0 0 "[ . 1]" 1
945 1 78 ILE HG12 1 78 ILE MG 2.200 . 6.000 2.205 2.180 2.224 . 0 0 "[ . 1]" 1
946 1 18 PHE HA 1 21 THR MG 3.300 . 4.600 2.541 2.227 3.054 . 0 0 "[ . 1]" 1
947 1 53 ALA MB 1 56 LYS H 4.100 . 6.000 4.542 4.359 4.690 . 0 0 "[ . 1]" 1
948 1 58 LYS HB2 1 58 LYS QE 4.000 . 6.000 3.276 2.718 4.187 . 0 0 "[ . 1]" 1
949 1 62 MET HB3 1 63 ALA MB 3.000 . 6.000 5.048 4.828 5.411 . 0 0 "[ . 1]" 1
950 1 7 LYS HA 1 7 LYS HG2 2.800 . 3.800 2.703 2.398 3.664 . 0 0 "[ . 1]" 1
951 1 5 PRO HD3 1 6 LYS HB2 4.500 . 6.000 5.730 5.330 6.199 0.199 6 0 "[ . 1]" 1
952 1 78 ILE HA 1 78 ILE HG12 2.800 . 3.800 3.626 3.605 3.643 . 0 0 "[ . 1]" 1
953 1 11 LYS HE3 1 11 LYS HG3 3.300 . 4.600 3.536 2.600 4.234 . 0 0 "[ . 1]" 1
954 1 8 PRO QG 1 74 MET HA 4.000 . 5.600 3.941 2.773 4.778 . 0 0 "[ . 1]" 1
955 1 47 ARG H 1 47 ARG HG3 3.700 . 5.400 4.105 2.461 4.489 . 0 0 "[ . 1]" 1
956 1 12 MET ME 1 20 GLN HA 4.000 . 6.000 4.245 3.715 4.893 . 0 0 "[ . 1]" 1
957 1 5 PRO HB2 1 5 PRO QD 3.400 . 4.900 3.429 2.932 3.555 . 0 0 "[ . 1]" 1
958 1 63 ALA MB 1 67 LYS H 3.400 . 4.800 4.556 4.325 4.779 . 0 0 "[ . 1]" 1
959 1 77 TYR QE 1 78 ILE MD 4.500 . 6.000 5.074 4.752 5.315 . 0 0 "[ . 1]" 1
960 1 8 PRO HD2 1 8 PRO QG 3.600 . 5.200 2.213 2.178 2.249 . 0 0 "[ . 1]" 1
961 1 7 LYS HA 1 8 PRO HD3 2.400 . 3.100 2.091 1.696 2.577 0.004 4 0 "[ . 1]" 1
962 1 8 PRO HB2 1 8 PRO QG 3.500 . 5.000 2.211 2.175 2.262 . 0 0 "[ . 1]" 1
963 1 58 LYS QG 1 62 MET ME 2.300 . 3.000 2.472 1.958 2.944 . 0 0 "[ . 1]" 1
964 1 18 PHE QD 1 21 THR MG 3.800 . 5.600 3.974 3.776 4.415 . 0 0 "[ . 1]" 1
965 1 12 MET HB3 1 12 MET HG2 2.800 . 3.800 2.460 2.386 2.528 . 0 0 "[ . 1]" 1
966 1 30 HIS HA 1 31 PRO HD3 2.500 . 3.300 2.205 1.967 2.642 . 0 0 "[ . 1]" 1
967 1 19 VAL MG1 1 19 VAL MG2 2.100 . 2.700 2.067 2.051 2.079 . 0 0 "[ . 1]" 1
968 1 56 LYS QE 1 56 LYS HG3 3.200 . 3.800 2.410 2.341 2.507 . 0 0 "[ . 1]" 1
969 1 47 ARG H 1 47 ARG HB2 3.000 . 4.100 2.435 2.282 2.584 . 0 0 "[ . 1]" 1
970 1 64 LYS HA 1 64 LYS QD 2.700 . 3.600 3.062 2.493 3.582 . 0 0 "[ . 1]" 1
971 1 61 ASP HA 1 64 LYS QB 2.700 . 3.600 3.328 2.524 3.870 0.270 4 0 "[ . 1]" 1
972 1 15 TYR QE 1 45 SER HA 3.200 . 4.500 2.511 2.076 2.982 . 0 0 "[ . 1]" 1
973 1 65 ALA MB 1 66 ASP H 2.600 . 3.500 2.412 2.232 2.617 . 0 0 "[ . 1]" 1
974 1 43 LYS H 1 43 LYS QB 2.900 . 3.900 2.604 2.474 2.760 . 0 0 "[ . 1]" 1
975 1 57 GLY HA3 1 60 GLU QB 4.700 . 6.000 3.754 3.555 3.971 . 0 0 "[ . 1]" 1
976 1 23 ARG HA 1 40 PHE HZ 3.400 . 4.800 3.001 2.684 3.717 . 0 0 "[ . 1]" 1
977 1 17 PHE HB3 1 17 PHE QE 4.100 . 6.000 4.383 4.367 4.405 . 0 0 "[ . 1]" 1
978 1 23 ARG HG2 1 40 PHE QR 4.000 . 6.000 4.583 3.787 5.651 . 0 0 "[ . 1]" 1
979 1 39 GLU HG3 1 40 PHE H 4.400 . 6.000 4.431 2.349 4.800 . 0 0 "[ . 1]" 1
980 1 12 MET HA 1 12 MET HB2 3.000 . 4.100 3.019 3.013 3.026 . 0 0 "[ . 1]" 1
981 1 21 THR HA 1 21 THR MG 3.000 . 4.100 3.218 3.209 3.225 . 0 0 "[ . 1]" 1
982 1 58 LYS HG3 1 59 PHE H 4.300 . 6.000 4.423 2.950 4.831 . 0 0 "[ . 1]" 1
983 1 78 ILE MD 1 79 PRO QD 2.500 . 6.000 4.316 4.198 4.414 . 0 0 "[ . 1]" 1
984 1 22 CYS HB3 1 40 PHE QE 3.700 . 5.400 3.057 1.989 3.906 0.011 1 0 "[ . 1]" 1
985 1 7 LYS QD 1 8 PRO HD2 3.800 . 5.600 4.395 2.064 5.240 . 0 0 "[ . 1]" 1
986 1 41 SER HA 1 44 CYS HB2 3.200 . 4.500 2.915 2.408 3.585 . 0 0 "[ . 1]" 1
987 1 61 ASP HA 1 64 LYS QD 2.700 . 3.600 2.757 1.818 3.600 . 0 0 "[ . 1]" 1
988 1 58 LYS QD 1 59 PHE QE 3.300 . 4.700 4.380 3.658 4.840 0.140 7 0 "[ . 1]" 1
989 1 77 TYR HA 1 78 ILE HG12 4.300 . 6.000 5.846 5.761 5.990 . 0 0 "[ . 1]" 1
990 1 28 LYS HB2 1 29 LYS HG2 4.000 . 6.000 4.765 4.016 5.865 . 0 0 "[ . 1]" 1
991 1 12 MET HA 1 12 MET HB3 2.700 . 3.600 2.449 2.394 2.514 . 0 0 "[ . 1]" 1
992 1 59 PHE QE 1 62 MET ME 3.000 . 4.100 2.918 2.738 3.116 . 0 0 "[ . 1]" 1
993 1 58 LYS HA 1 58 LYS HB2 2.400 . 3.100 2.404 2.323 2.488 . 0 0 "[ . 1]" 1
994 1 11 LYS QB 1 11 LYS HE2 3.400 . 4.800 2.926 1.942 4.409 0.058 10 0 "[ . 1]" 1
995 1 74 MET ME 1 77 TYR QE 2.800 . 3.800 3.470 2.389 3.827 0.027 1 0 "[ . 1]" 1
996 1 15 TYR HA 1 15 TYR QB 3.400 . 4.800 2.446 2.390 2.490 . 0 0 "[ . 1]" 1
997 1 58 LYS QD 1 58 LYS HG3 2.300 . 3.000 2.216 2.173 2.316 . 0 0 "[ . 1]" 1
998 1 80 PRO HA 1 80 PRO QG 3.000 . 4.100 3.140 2.895 3.527 . 0 0 "[ . 1]" 1
999 1 62 MET ME 1 63 ALA H 2.700 . 6.000 4.395 4.226 4.764 . 0 0 "[ . 1]" 1
1000 1 62 MET HA 1 62 MET HB3 3.000 . 4.100 2.493 2.470 2.507 . 0 0 "[ . 1]" 1
1001 1 48 TRP HD1 1 49 LYS H 3.700 . 5.500 3.305 2.922 3.599 . 0 0 "[ . 1]" 1
1002 1 31 PRO HD2 1 31 PRO HG2 2.900 . 4.000 2.323 2.311 2.334 . 0 0 "[ . 1]" 1
1003 1 72 ARG QD 1 72 ARG HG2 2.200 . 2.800 2.301 2.162 2.421 . 0 0 "[ . 1]" 1
1004 1 64 LYS H 1 64 LYS QE 2.700 . 6.000 4.544 3.861 5.041 . 0 0 "[ . 1]" 1
1005 1 21 THR HB 1 21 THR MG 2.300 . 3.000 2.132 2.129 2.136 . 0 0 "[ . 1]" 1
1006 1 12 MET HG2 1 17 PHE QE 4.400 . 6.000 5.468 4.803 6.111 0.111 2 0 "[ . 1]" 1
1007 1 64 LYS HA 1 67 LYS H 3.200 . 4.500 3.341 2.992 3.612 . 0 0 "[ . 1]" 1
1008 1 79 PRO HB2 1 79 PRO HD3 3.900 . 5.800 3.922 3.867 4.072 . 0 0 "[ . 1]" 1
1009 1 51 MET QG 1 55 GLU QB 3.100 . 4.300 2.991 1.973 4.058 . 0 0 "[ . 1]" 1
1010 1 21 THR MG 1 59 PHE QE 2.400 . 3.100 1.964 1.648 2.472 0.052 2 0 "[ . 1]" 1
1011 1 8 PRO HA 1 8 PRO QG 3.700 . 5.400 3.262 2.854 3.542 . 0 0 "[ . 1]" 1
1012 1 28 LYS HA 1 28 LYS HG3 2.400 . 3.100 3.042 2.406 3.698 0.598 8 2 "[ - . + 1]" 1
1013 1 53 ALA MB 1 56 LYS HD2 3.300 . 4.700 3.599 2.888 4.336 . 0 0 "[ . 1]" 1
1014 1 62 MET HA 1 62 MET HG3 3.400 . 4.800 3.254 3.073 3.731 . 0 0 "[ . 1]" 1
1015 1 68 ALA HA 1 71 GLU HB3 3.000 . 4.100 4.185 4.111 4.262 0.162 7 0 "[ . 1]" 1
1016 1 8 PRO HA 1 9 ARG QB 3.800 . 5.600 4.134 3.788 4.530 . 0 0 "[ . 1]" 1
1017 1 23 ARG HA 1 23 ARG QG 3.300 . 4.600 2.599 2.235 3.055 . 0 0 "[ . 1]" 1
1018 1 48 TRP HD1 1 49 LYS HG3 3.600 . 5.200 3.360 2.684 3.741 . 0 0 "[ . 1]" 1
1019 1 56 LYS QD 1 56 LYS HG3 3.000 . 4.100 2.334 2.292 2.379 . 0 0 "[ . 1]" 1
1020 1 12 MET ME 1 17 PHE HB2 4.100 . 6.000 4.365 3.816 5.142 . 0 0 "[ . 1]" 1
1021 1 31 PRO HB3 1 31 PRO HD2 2.300 . 3.000 2.876 2.645 2.903 . 0 0 "[ . 1]" 1
1022 1 51 MET HB2 1 56 LYS QE 4.300 . 6.000 3.217 2.189 4.329 . 0 0 "[ . 1]" 1
1023 1 59 PHE HA 1 59 PHE HB2 2.700 . 3.600 3.023 3.012 3.028 . 0 0 "[ . 1]" 1
1024 1 26 HIS HD2 1 33 ALA MB 3.800 . 5.700 4.247 2.428 4.769 . 0 0 "[ . 1]" 1
1025 1 48 TRP HA 1 48 TRP HD1 4.300 . 6.000 4.411 4.216 4.559 . 0 0 "[ . 1]" 1
1026 1 48 TRP HA 1 51 MET HB3 3.600 . 5.200 3.681 2.726 4.766 . 0 0 "[ . 1]" 1
1027 1 19 VAL QG 2 45 LEU HB2 3.500 . 5.000 2.460 1.894 2.964 0.106 6 0 "[ . 1]" 1
1028 1 78 ILE HB 1 79 PRO HD2 4.300 . 6.000 4.800 4.684 5.031 . 0 0 "[ . 1]" 1
1029 1 78 ILE MG 1 79 PRO QD 2.400 . 3.100 2.754 2.426 3.110 0.010 3 0 "[ . 1]" 1
1030 1 71 GLU HB2 1 71 GLU HG2 2.700 . 3.600 2.847 2.455 3.015 . 0 0 "[ . 1]" 1
1031 1 12 MET ME 1 20 GLN QB 3.400 . 4.800 2.300 1.946 2.763 0.054 4 0 "[ . 1]" 1
1032 1 12 MET HB2 1 12 MET ME 3.100 . 4.300 2.233 1.923 2.872 . 0 0 "[ . 1]" 1
1033 1 7 LYS HG3 1 8 PRO HD2 3.900 . 5.800 4.301 2.807 4.942 . 0 0 "[ . 1]" 1
1034 1 18 PHE HZ 1 47 ARG HB3 3.400 . 4.800 2.630 2.220 3.126 . 0 0 "[ . 1]" 1
1035 1 50 THR HA 1 50 THR MG 2.000 . 2.500 1.982 1.953 2.101 . 0 0 "[ . 1]" 1
1036 1 48 TRP HD1 1 49 LYS QD 3.500 . 5.000 2.790 2.375 3.723 . 0 0 "[ . 1]" 1
1037 1 58 LYS QE 1 58 LYS HG3 3.200 . 4.500 3.049 2.425 3.322 . 0 0 "[ . 1]" 1
1038 1 75 LYS HA 1 75 LYS HG3 3.100 . 4.300 3.471 2.736 3.802 . 0 0 "[ . 1]" 1
1039 1 76 THR HB 1 76 THR MG 2.100 . 2.600 2.131 2.128 2.135 . 0 0 "[ . 1]" 1
1040 1 70 TYR H 1 70 TYR QD 4.000 . 6.000 4.134 4.025 4.154 . 0 0 "[ . 1]" 1
1041 1 80 PRO HD2 1 80 PRO QG 2.000 . 2.500 2.226 2.179 2.252 . 0 0 "[ . 1]" 1
1042 1 48 TRP H 1 48 TRP HB3 3.200 . 4.500 2.401 2.328 2.514 . 0 0 "[ . 1]" 1
1043 1 18 PHE QE 1 19 VAL QG 4.100 . 6.000 3.388 2.892 3.905 . 0 0 "[ . 1]" 1
1044 1 7 LYS QB 1 7 LYS HG3 2.200 . 2.800 2.063 1.990 2.134 . 0 0 "[ . 1]" 1
1045 1 51 MET HB2 1 51 MET QG 2.900 . 3.900 2.321 2.226 2.398 . 0 0 "[ . 1]" 1
1046 1 7 LYS QB 1 7 LYS HG2 2.200 . 2.800 2.075 2.010 2.130 . 0 0 "[ . 1]" 1
1047 1 52 SER HB3 1 55 GLU HB2 3.500 . 5.100 5.030 4.136 5.657 0.557 5 1 "[ + 1]" 1
1048 1 78 ILE HG13 1 79 PRO HD3 4.200 . 6.000 4.263 3.916 4.919 . 0 0 "[ . 1]" 1
1049 1 59 PHE HB2 1 62 MET ME 3.200 . 4.500 4.324 4.189 4.522 0.022 4 0 "[ . 1]" 1
1050 1 5 PRO HA 1 5 PRO HD3 3.400 . 4.800 3.849 3.727 3.993 . 0 0 "[ . 1]" 1
1051 1 29 LYS HB2 1 29 LYS HG3 2.300 . 3.000 2.498 2.392 2.564 . 0 0 "[ . 1]" 1
1052 1 12 MET HA 1 17 PHE QE 3.700 . 5.400 5.156 4.220 5.494 0.094 8 0 "[ . 1]" 1
1053 1 76 THR H 1 76 THR MG 2.800 . 3.700 2.604 2.038 3.018 . 0 0 "[ . 1]" 1
1054 1 9 ARG QB 1 9 ARG HD2 2.700 . 3.600 2.308 2.160 2.387 . 0 0 "[ . 1]" 1
1055 1 77 TYR QE 1 79 PRO HA 2.700 . 3.600 2.788 1.947 3.531 . 0 0 "[ . 1]" 1
1056 1 58 LYS QE 1 59 PHE QE 2.900 . 3.900 3.131 2.660 3.913 0.013 5 0 "[ . 1]" 1
1057 1 47 ARG HD3 1 47 ARG HG2 2.700 . 3.600 2.493 2.396 3.014 . 0 0 "[ . 1]" 1
1058 1 49 LYS HA 1 49 LYS HG2 2.600 . 3.400 2.616 2.533 2.725 . 0 0 "[ . 1]" 1
1059 1 61 ASP HA 1 64 LYS QD 2.800 . 3.800 2.334 1.622 3.323 0.178 10 0 "[ . 1]" 1
1060 1 23 ARG HB2 1 40 PHE QE 3.600 . 5.200 2.446 1.951 3.444 0.049 2 0 "[ . 1]" 1
1061 1 50 THR MG 1 51 MET H 2.600 . 6.000 4.213 3.350 4.363 . 0 0 "[ . 1]" 1
1062 1 8 PRO HD3 1 74 MET ME 3.600 . 5.300 3.280 2.322 4.000 . 0 0 "[ . 1]" 1
1063 1 11 LYS HD3 1 11 LYS HE2 2.200 . 2.800 2.559 2.388 3.002 0.202 9 0 "[ . 1]" 1
1064 1 33 ALA HA 1 34 SER H 3.200 . 4.500 2.213 2.116 2.420 . 0 0 "[ . 1]" 1
1065 1 23 ARG QD 1 23 ARG HG3 2.900 . 3.900 2.241 2.156 2.414 . 0 0 "[ . 1]" 1
1066 1 62 MET HB3 1 65 ALA MB 3.000 . 6.000 4.023 3.449 4.537 . 0 0 "[ . 1]" 1
1067 1 67 LYS HB3 1 67 LYS QE 3.300 . 4.700 3.479 1.878 4.514 0.022 5 0 "[ . 1]" 1
1068 1 7 LYS HB3 1 7 LYS HG2 2.400 . 3.100 2.499 2.368 3.006 . 0 0 "[ . 1]" 1
1069 1 59 PHE HA 1 60 GLU H 3.300 . 4.700 3.489 3.440 3.518 . 0 0 "[ . 1]" 1
1070 1 33 ALA MB 1 34 SER QB 4.300 . 6.000 4.843 4.284 5.101 . 0 0 "[ . 1]" 1
1071 1 47 ARG HB2 1 47 ARG HD3 3.100 . 4.300 3.141 2.864 3.618 . 0 0 "[ . 1]" 1
1072 1 61 ASP HB2 1 64 LYS QB 4.200 . 6.000 5.505 4.805 6.440 0.440 4 0 "[ . 1]" 1
1073 1 20 GLN HA 1 20 GLN QG 2.600 . 3.400 2.530 2.380 2.897 . 0 0 "[ . 1]" 1
1074 1 12 MET HB2 1 12 MET HG3 3.000 . 4.100 2.421 2.362 2.500 . 0 0 "[ . 1]" 1
1075 1 78 ILE MD 1 78 ILE HG12 2.000 . 2.500 2.118 2.116 2.120 . 0 0 "[ . 1]" 1
1076 1 29 LYS HB3 1 29 LYS QE 4.500 . 6.000 3.857 2.727 4.246 . 0 0 "[ . 1]" 1
1077 1 29 LYS HD2 1 30 HIS HD2 4.100 . 6.000 4.547 3.809 5.279 . 0 0 "[ . 1]" 1
1078 1 79 PRO HB2 1 80 PRO HD3 3.500 . 5.000 4.374 3.842 4.705 . 0 0 "[ . 1]" 1
1079 1 72 ARG QB 1 72 ARG QD 2.600 . 3.400 2.278 2.074 2.404 . 0 0 "[ . 1]" 1
1080 1 67 LYS QD 1 70 TYR QD 3.600 . 5.200 4.847 3.353 5.257 0.057 3 0 "[ . 1]" 1
1081 1 6 LYS HA 1 6 LYS QE 4.300 . 6.000 4.289 3.114 5.064 . 0 0 "[ . 1]" 1
1082 1 31 PRO HB2 1 31 PRO HD2 3.400 . 4.800 3.066 2.910 4.051 . 0 0 "[ . 1]" 1
1083 1 32 ASP HB2 1 33 ALA H 4.100 . 6.000 3.849 2.980 4.414 . 0 0 "[ . 1]" 1
1084 1 74 MET ME 1 77 TYR HB3 3.300 . 4.700 2.786 2.028 3.895 . 0 0 "[ . 1]" 1
1085 1 79 PRO HA 1 79 PRO HB3 2.200 . 2.800 2.275 2.254 2.291 . 0 0 "[ . 1]" 1
1086 1 7 LYS QE 1 77 TYR QD 3.600 . 5.200 5.100 4.522 5.349 0.149 3 0 "[ . 1]" 1
1087 1 67 LYS H 1 67 LYS QG 3.900 . 5.800 3.997 3.967 4.049 . 0 0 "[ . 1]" 1
1088 1 30 HIS HA 1 30 HIS HB3 2.600 . 3.400 2.559 2.503 2.657 . 0 0 "[ . 1]" 1
1089 1 70 TYR QE 1 71 GLU HG2 3.400 . 4.800 4.582 3.650 4.863 0.063 7 0 "[ . 1]" 1
1090 1 31 PRO HA 1 31 PRO HG2 3.700 . 5.500 3.991 3.848 4.057 . 0 0 "[ . 1]" 1
1091 1 19 VAL QG 1 44 CYS HB3 3.400 . 4.800 2.544 2.139 2.951 . 0 0 "[ . 1]" 1
1092 1 64 LYS HA 1 64 LYS HG2 2.800 . 3.800 3.200 2.520 3.896 0.096 4 0 "[ . 1]" 1
1093 1 26 HIS HE1 1 30 HIS HB2 3.800 . 5.600 4.640 4.013 5.287 . 0 0 "[ . 1]" 1
1094 1 79 PRO HB3 1 80 PRO HD3 3.500 . 5.000 3.902 3.550 4.686 . 0 0 "[ . 1]" 1
1095 1 19 VAL QG 1 40 PHE QE 3.700 . 5.400 1.902 1.799 2.217 0.201 4 0 "[ . 1]" 1
1096 1 47 ARG H 1 47 ARG HB3 2.900 . 4.000 2.775 2.485 3.598 . 0 0 "[ . 1]" 1
1097 1 18 PHE QE 1 48 TRP QB 3.600 . 5.200 2.911 2.582 3.408 . 0 0 "[ . 1]" 1
1098 1 58 LYS HB2 1 58 LYS QG 2.500 . 3.300 2.321 2.290 2.350 . 0 0 "[ . 1]" 1
1099 1 48 TRP HZ2 1 56 LYS QE 3.600 . 5.200 4.473 3.731 5.019 . 0 0 "[ . 1]" 1
1100 1 29 LYS HD2 1 30 HIS H 4.400 . 6.000 5.377 4.720 5.997 . 0 0 "[ . 1]" 1
1101 1 70 TYR QD 1 71 GLU H 3.300 . 4.700 3.108 2.666 3.462 . 0 0 "[ . 1]" 1
1102 1 7 LYS QD 1 77 TYR QD 4.400 . 6.000 5.385 3.528 6.019 0.019 1 0 "[ . 1]" 1
1103 1 76 THR HB 1 78 ILE MD 3.100 . 4.300 4.371 4.304 4.503 0.203 10 0 "[ . 1]" 1
1104 1 83 GLU HB2 1 83 GLU QG 2.200 . 2.800 2.371 2.322 2.433 . 0 0 "[ . 1]" 1
1105 1 71 GLU HA 1 71 GLU HG2 2.800 . 3.700 2.594 2.345 2.889 . 0 0 "[ . 1]" 1
1106 1 47 ARG HA 1 47 ARG QB 2.600 . 3.400 2.390 2.347 2.463 . 0 0 "[ . 1]" 1
1107 1 70 TYR QD 1 71 GLU HB2 4.300 . 6.000 4.715 4.135 5.005 . 0 0 "[ . 1]" 1
1108 1 51 MET ME 1 56 LYS HG3 2.700 . 3.600 2.772 2.285 3.620 0.020 3 0 "[ . 1]" 1
1109 1 2 LYS H 1 2 LYS QG 3.300 . 4.600 3.288 2.602 4.089 . 0 0 "[ . 1]" 1
1110 1 7 LYS HA 1 77 TYR QE 3.200 . 4.500 3.195 2.522 3.829 . 0 0 "[ . 1]" 1
1111 1 30 HIS HB3 1 33 ALA MB 2.500 . 3.300 2.147 1.888 2.633 . 0 0 "[ . 1]" 1
1112 1 11 LYS HE2 1 70 TYR QD 3.900 . 5.800 4.265 2.609 5.834 0.034 8 0 "[ . 1]" 1
1113 1 79 PRO HA 1 79 PRO HB2 2.400 . 3.100 2.895 2.692 2.983 . 0 0 "[ . 1]" 1
1114 1 77 TYR QE 1 79 PRO QD 3.500 . 5.000 3.838 3.281 4.451 . 0 0 "[ . 1]" 1
1115 1 7 LYS HA 1 74 MET ME 3.300 . 4.600 4.027 2.989 4.635 0.035 10 0 "[ . 1]" 1
1116 1 29 LYS HA 1 29 LYS HD2 3.300 . 4.700 4.556 4.246 4.688 . 0 0 "[ . 1]" 1
1117 1 81 LYS HA 1 81 LYS QD 2.300 . 3.000 2.079 1.859 2.809 . 0 0 "[ . 1]" 1
1118 1 50 THR HA 1 50 THR HB 1.900 . 2.400 2.473 2.411 2.513 0.113 9 0 "[ . 1]" 1
1119 1 77 TYR QD 1 78 ILE MD 4.400 . 6.000 4.351 3.897 4.588 . 0 0 "[ . 1]" 1
1120 1 71 GLU HB2 1 71 GLU HG3 2.600 . 3.400 2.400 2.327 2.470 . 0 0 "[ . 1]" 1
1121 1 56 LYS HB3 1 56 LYS HD3 2.700 . 3.600 2.507 2.345 2.593 . 0 0 "[ . 1]" 1
1122 1 23 ARG HB3 2 45 LEU QD 3.700 . 5.400 3.503 3.237 4.196 . 0 0 "[ . 1]" 1
1123 1 35 VAL QG 2 54 PHE QD 4.200 . 6.000 3.806 2.584 4.454 . 0 0 "[ . 1]" 1
1124 1 49 LYS HG2 2 43 LEU MD1 4.900 . 6.000 5.606 5.271 5.998 . 0 0 "[ . 1]" 1
1125 1 41 SER QB 2 43 LEU MD1 4.000 . 5.800 4.105 3.441 4.610 . 0 0 "[ . 1]" 1
1126 1 49 LYS HG3 2 44 MET ME 4.500 . 6.000 5.489 5.121 5.851 . 0 0 "[ . 1]" 1
1127 1 19 VAL QG 2 54 PHE HZ 4.200 . 6.000 4.273 3.515 5.837 . 0 0 "[ . 1]" 1
1128 1 19 VAL QG 2 44 MET QB 4.200 . 6.000 1.946 1.815 2.095 0.185 8 0 "[ . 1]" 1
1129 1 12 MET ME 2 54 PHE HB2 4.500 . 6.000 5.863 4.521 6.171 0.171 3 0 "[ . 1]" 1
1130 1 12 MET ME 2 44 MET QB 4.600 . 6.000 4.605 4.133 4.957 . 0 0 "[ . 1]" 1
1131 1 23 ARG QD 2 45 LEU QD . . 3.600 2.533 2.076 3.510 . 0 0 "[ . 1]" 1
1132 1 16 ALA MB 2 44 MET QB 4.700 . 6.000 2.540 2.119 3.025 . 0 0 "[ . 1]" 1
1133 1 20 GLN QB 2 45 LEU QD 3.900 . 5.800 2.290 1.970 2.872 0.030 3 0 "[ . 1]" 1
1134 1 12 MET HG2 2 45 LEU QD 4.600 . 6.000 4.299 3.812 4.726 . 0 0 "[ . 1]" 1
1135 1 48 TRP HD1 2 43 LEU MD1 4.500 . 6.000 6.048 5.944 6.101 0.101 2 0 "[ . 1]" 1
1136 1 24 GLU HB3 2 45 LEU QD 3.100 . 6.000 5.900 5.818 5.960 . 0 0 "[ . 1]" 1
1137 1 20 GLN QG 2 45 LEU HG 5.100 . 6.000 5.506 5.025 6.327 0.327 8 0 "[ . 1]" 1
1138 1 9 ARG HD3 2 45 LEU QD 3.200 . 6.000 4.975 4.215 5.535 . 0 0 "[ . 1]" 1
1139 1 12 MET HG3 2 45 LEU QD 4.800 . 6.000 4.711 4.432 5.111 . 0 0 "[ . 1]" 1
1140 1 46 GLU HG2 2 43 LEU MD1 4.000 . 6.000 5.957 5.674 6.051 0.051 4 0 "[ . 1]" 1
1141 1 19 VAL QG 2 45 LEU QD 3.700 . 5.400 2.204 1.888 2.402 0.112 7 0 "[ . 1]" 1
1142 1 16 ALA HA 2 45 LEU QD 3.600 . 5.300 2.961 2.522 3.164 . 0 0 "[ . 1]" 1
1143 1 27 LYS QE 2 54 PHE QD 3.300 . 6.000 5.522 3.668 6.130 0.130 3 0 "[ . 1]" 1
1144 1 15 TYR QE 2 43 LEU MD1 3.900 . 5.800 3.664 3.355 3.996 . 0 0 "[ . 1]" 1
1145 1 12 MET ME 2 45 LEU QD 2.900 . 4.000 1.926 1.771 2.031 0.029 4 0 "[ . 1]" 1
1146 1 19 VAL HB 2 45 LEU QD 4.300 . 6.000 2.823 2.123 4.291 . 0 0 "[ . 1]" 1
1147 1 21 THR MG 2 45 LEU QD 4.500 . 6.000 5.491 5.306 5.682 . 0 0 "[ . 1]" 1
1148 1 45 SER HB2 2 43 LEU MD1 3.300 . 4.700 2.476 2.170 3.524 . 0 0 "[ . 1]" 1
1149 1 48 TRP HB3 2 43 LEU MD1 4.700 . 6.000 5.828 5.392 6.036 0.036 10 0 "[ . 1]" 1
1150 1 49 LYS HG2 2 44 MET ME 5.100 . 6.000 6.109 6.031 6.206 0.206 8 0 "[ . 1]" 1
1151 1 45 SER HB3 2 43 LEU MD1 4.300 . 6.000 2.741 1.983 3.494 0.017 5 0 "[ . 1]" 1
1152 1 17 PHE QE 2 45 LEU QD 5.300 . 6.000 5.819 5.270 6.026 0.026 8 0 "[ . 1]" 1
1153 1 20 GLN HA 2 45 LEU QD 3.600 . 4.500 2.274 1.929 2.699 0.071 7 0 "[ . 1]" 1
1154 1 12 MET ME 2 45 LEU HB2 4.600 . 6.000 4.088 3.765 4.227 . 0 0 "[ . 1]" 1
1155 1 16 ALA MB 2 54 PHE QD 4.500 . 6.000 6.179 6.105 6.240 0.240 10 0 "[ . 1]" 1
1156 1 19 VAL QG 2 54 PHE QD 3.800 . 5.700 4.184 3.764 5.057 . 0 0 "[ . 1]" 1
1157 1 37 PHE QD 2 45 LEU QD 4.000 . 6.000 5.387 4.889 6.025 0.025 3 0 "[ . 1]" 1
1158 1 24 GLU HB2 2 45 LEU QD 3.100 . 6.000 5.179 4.912 5.463 . 0 0 "[ . 1]" 1
1159 1 37 PHE HA 2 54 PHE QD 4.700 . 6.000 5.783 4.931 6.100 0.100 5 0 "[ . 1]" 1
1160 1 40 PHE QE 2 45 LEU QD 4.100 . 6.000 4.289 3.963 5.101 . 0 0 "[ . 1]" 1
1161 1 45 SER HB2 2 44 MET ME 4.300 . 6.000 2.632 1.924 3.841 . 0 0 "[ . 1]" 1
1162 1 49 LYS HG3 2 43 LEU MD1 3.900 . 5.800 5.282 4.881 5.548 . 0 0 "[ . 1]" 1
1163 1 17 PHE HA 2 45 LEU QD 4.800 . 6.000 3.984 3.836 4.163 . 0 0 "[ . 1]" 1
1164 1 23 ARG QD 2 54 PHE QD 4.100 . 5.800 2.910 2.509 3.522 . 0 0 "[ . 1]" 1
1165 1 9 ARG HG2 2 45 LEU QD 3.800 . 6.000 5.289 4.677 6.363 0.363 5 0 "[ . 1]" 1
1166 1 35 VAL QG 2 45 LEU QD 4.000 . 6.000 4.666 4.479 4.925 . 0 0 "[ . 1]" 1
1167 1 41 SER QB 2 54 PHE QR 4.000 . 6.000 5.041 4.181 5.581 . 0 0 "[ . 1]" 1
1168 1 20 GLN QG 2 45 LEU MD1 3.800 . 5.600 3.255 2.774 4.007 . 0 0 "[ . 1]" 1
1169 1 12 MET ME 2 54 PHE QD 4.200 . 6.000 5.493 5.167 5.899 . 0 0 "[ . 1]" 1
1170 2 28 GLU H 2 28 GLU HA 2.900 . 3.900 2.889 2.776 2.944 . 0 0 "[ . 1]" 1
1171 2 37 SER H 2 37 SER QB 3.400 . 4.800 2.548 2.281 2.819 . 0 0 "[ . 1]" 1
1172 2 30 ASN HD21 2 32 LEU QB 3.200 . 4.500 3.482 2.075 4.399 . 0 0 "[ . 1]" 1
1173 2 44 MET H 2 44 MET QB 2.500 . 3.300 2.751 2.245 3.196 . 0 0 "[ . 1]" 1
1174 2 23 TRP QB 2 24 LYS H 3.700 . 5.400 3.870 3.790 3.914 . 0 0 "[ . 1]" 1
1175 2 28 GLU HA 2 29 ASN H 2.900 . 4.000 2.577 2.143 3.041 . 0 0 "[ . 1]" 1
1176 2 22 LEU H 2 22 LEU HB3 3.400 . 4.900 3.586 3.573 3.599 . 0 0 "[ . 1]" 1
1177 2 55 THR MG 2 56 GLU H 4.100 . 6.000 3.386 2.359 4.283 . 0 0 "[ . 1]" 1
1178 2 50 ILE HA 2 53 TRP HE1 3.800 . 5.600 3.710 2.960 4.251 . 0 0 "[ . 1]" 1
1179 2 53 TRP H 2 53 TRP HD1 3.400 . 4.900 3.145 2.793 3.472 . 0 0 "[ . 1]" 1
1180 2 32 LEU QD 2 33 SER H 4.400 . 6.000 3.660 2.102 4.336 . 0 0 "[ . 1]" 1
1181 2 30 ASN QB 2 31 VAL H 3.700 . 5.400 3.389 2.678 4.031 . 0 0 "[ . 1]" 1
1182 2 52 GLN HE21 2 52 GLN QG 2.800 . 3.800 2.257 2.135 2.804 . 0 0 "[ . 1]" 1
1183 2 15 SER H 2 15 SER QB 3.100 . 4.300 2.460 2.269 2.714 . 0 0 "[ . 1]" 1
1184 2 14 LEU H 2 14 LEU QD 4.000 . 6.000 3.106 2.308 4.096 . 0 0 "[ . 1]" 1
1185 2 35 LEU H 2 36 PRO HD2 4.300 . 6.000 4.930 4.560 5.324 . 0 0 "[ . 1]" 1
1186 2 48 ASP H 2 48 ASP HB2 2.700 . 3.600 2.687 2.475 3.618 0.018 7 0 "[ . 1]" 1
1187 2 47 PRO HA 2 48 ASP H 2.800 . 3.800 3.487 3.178 3.580 . 0 0 "[ . 1]" 1
1188 2 42 ASP QB 2 43 LEU H 3.200 . 4.500 3.479 2.501 4.044 . 0 0 "[ . 1]" 1
1189 2 51 GLU H 2 52 GLN H 2.900 . 4.000 2.738 2.610 2.839 . 0 0 "[ . 1]" 1
1190 2 52 GLN QB 2 53 TRP HE1 3.900 . 5.800 3.560 2.785 4.806 . 0 0 "[ . 1]" 1
1191 2 25 LEU H 2 25 LEU QB 2.200 . 2.800 2.146 2.060 2.202 . 0 0 "[ . 1]" 1
1192 2 50 ILE MD 2 51 GLU H 3.600 . 5.200 3.458 2.863 3.775 . 0 0 "[ . 1]" 1
1193 2 47 PRO HD2 2 48 ASP H 2.900 . 3.900 3.069 2.748 3.388 . 0 0 "[ . 1]" 1
1194 2 56 GLU HA 2 57 ASP H 2.300 . 3.000 2.246 2.144 2.402 . 0 0 "[ . 1]" 1
1195 2 24 LYS HA 2 25 LEU H 2.500 . 3.300 3.018 2.969 3.158 . 0 0 "[ . 1]" 1
1196 2 18 THR H 2 18 THR HB 3.400 . 4.800 3.055 2.618 3.647 . 0 0 "[ . 1]" 1
1197 2 55 THR H 2 55 THR HA 2.900 . 4.000 2.900 2.788 2.943 . 0 0 "[ . 1]" 1
1198 2 44 MET H 2 44 MET HA 2.800 . 3.800 2.928 2.914 2.943 . 0 0 "[ . 1]" 1
1199 2 34 PRO HA 2 35 LEU H 2.200 . 2.800 2.259 2.116 2.600 . 0 0 "[ . 1]" 1
1200 2 18 THR H 2 18 THR MG 3.700 . 5.400 3.328 2.526 3.835 . 0 0 "[ . 1]" 1
1201 2 17 GLU H 2 17 GLU HG2 3.200 . 4.500 2.914 1.940 4.436 . 0 0 "[ . 1]" 1
1202 2 43 LEU H 2 43 LEU HB3 2.700 . 3.600 2.588 1.841 3.265 . 0 0 "[ . 1]" 1
1203 2 43 LEU HA 2 44 MET H 2.800 . 3.700 3.558 3.506 3.607 . 0 0 "[ . 1]" 1
1204 2 49 ASP H 2 50 ILE H 2.600 . 3.400 2.269 2.099 2.460 . 0 0 "[ . 1]" 1
1205 2 49 ASP HA 2 51 GLU H 3.400 . 4.900 4.059 3.676 4.357 . 0 0 "[ . 1]" 1
1206 2 17 GLU H 2 17 GLU HB3 2.800 . 3.800 2.906 2.463 3.659 . 0 0 "[ . 1]" 1
1207 2 24 LYS H 2 25 LEU H 2.800 . 3.800 2.832 2.544 2.965 . 0 0 "[ . 1]" 1
1208 2 48 ASP H 2 49 ASP H 2.600 . 3.500 2.782 2.602 2.958 . 0 0 "[ . 1]" 1
1209 2 47 PRO HA 2 49 ASP H 4.000 . 6.000 4.526 4.257 4.855 . 0 0 "[ . 1]" 1
1210 2 57 ASP H 2 57 ASP HB2 3.000 . 4.100 3.121 2.409 3.920 . 0 0 "[ . 1]" 1
1211 2 20 SER HB3 2 22 LEU H 4.600 . 6.000 5.410 4.804 5.723 . 0 0 "[ . 1]" 1
1212 2 49 ASP HA 2 52 GLN H 3.700 . 5.400 4.569 3.939 5.248 . 0 0 "[ . 1]" 1
1213 2 24 LYS H 2 24 LYS HB2 2.400 . 3.100 2.354 2.308 2.387 . 0 0 "[ . 1]" 1
1214 2 54 PHE HB3 2 55 THR H 3.500 . 5.000 3.269 2.042 4.535 . 0 0 "[ . 1]" 1
1215 2 25 LEU HA 2 26 LEU H 2.400 . 6.000 3.341 3.122 3.476 . 0 0 "[ . 1]" 1
1216 2 21 ASP H 2 22 LEU H 2.600 . 3.500 2.254 2.101 2.573 . 0 0 "[ . 1]" 1
1217 2 35 LEU H 2 35 LEU QB 2.500 . 3.300 2.413 2.220 2.767 . 0 0 "[ . 1]" 1
1218 2 19 PHE H 2 19 PHE HB2 3.100 . 4.300 2.461 2.380 2.586 . 0 0 "[ . 1]" 1
1219 2 48 ASP H 2 48 ASP HB3 3.100 . 4.300 3.059 2.419 3.615 . 0 0 "[ . 1]" 1
1220 2 16 GLN H 2 16 GLN HB2 3.700 . 5.400 3.000 2.435 3.834 . 0 0 "[ . 1]" 1
1221 2 24 LYS QG 2 25 LEU H 3.100 . 6.000 4.509 4.429 4.552 . 0 0 "[ . 1]" 1
1222 2 30 ASN HD22 2 32 LEU HB3 3.300 . 6.000 4.451 2.958 6.021 0.021 4 0 "[ . 1]" 1
1223 2 35 LEU H 2 35 LEU QD 4.000 . 6.000 3.699 2.216 4.054 . 0 0 "[ . 1]" 1
1224 2 46 SER H 2 49 ASP H 4.100 . 6.000 4.941 4.153 5.420 . 0 0 "[ . 1]" 1
1225 2 43 LEU H 2 43 LEU QD 3.800 . 5.600 3.250 2.357 3.746 . 0 0 "[ . 1]" 1
1226 2 54 PHE H 2 54 PHE QD 4.500 . 6.000 4.221 4.145 4.320 . 0 0 "[ . 1]" 1
1227 2 52 GLN QB 2 52 GLN HE21 3.700 . 5.400 3.070 1.966 3.786 0.034 3 0 "[ . 1]" 1
1228 2 39 ALA MB 2 40 MET H 3.300 . 4.600 2.942 1.974 3.619 0.026 3 0 "[ . 1]" 1
1229 2 48 ASP H 2 50 ILE H 4.400 . 6.000 3.951 3.600 4.183 . 0 0 "[ . 1]" 1
1230 2 52 GLN QG 2 53 TRP HE1 3.000 . 6.000 4.041 2.714 4.951 . 0 0 "[ . 1]" 1
1231 2 57 ASP H 2 58 PRO QD 4.400 . 6.000 4.279 3.939 4.393 . 0 0 "[ . 1]" 1
1232 2 43 LEU H 2 43 LEU HA 2.700 . 3.600 2.813 2.766 2.930 . 0 0 "[ . 1]" 1
1233 2 42 ASP H 2 43 LEU MD1 5.100 . 6.000 5.480 4.693 6.026 0.026 4 0 "[ . 1]" 1
1234 2 52 GLN H 2 52 GLN HA 3.000 . 4.200 2.876 2.779 2.929 . 0 0 "[ . 1]" 1
1235 2 50 ILE H 2 50 ILE HA 2.900 . 3.900 2.805 2.713 2.908 . 0 0 "[ . 1]" 1
1236 2 59 GLY H 2 59 GLY QA 2.400 . 3.100 2.300 2.206 2.482 . 0 0 "[ . 1]" 1
1237 2 40 MET QB 2 41 ASP H 3.400 . 4.900 3.268 2.471 4.012 . 0 0 "[ . 1]" 1
1238 2 31 VAL H 2 31 VAL QG 2.800 . 3.800 2.627 2.107 2.838 . 0 0 "[ . 1]" 1
1239 2 19 PHE H 2 19 PHE HB3 3.700 . 5.400 3.488 2.613 3.604 . 0 0 "[ . 1]" 1
1240 2 56 GLU HB2 2 57 ASP H 3.700 . 5.400 3.767 2.472 4.579 . 0 0 "[ . 1]" 1
1241 2 55 THR H 2 56 GLU H 3.900 . 5.800 4.278 3.236 4.569 . 0 0 "[ . 1]" 1
1242 2 14 LEU HA 2 15 SER H 2.500 . 3.300 2.300 2.118 2.513 . 0 0 "[ . 1]" 1
1243 2 46 SER H 2 46 SER QB 3.200 . 4.500 2.501 2.266 2.857 . 0 0 "[ . 1]" 1
1244 2 23 TRP H 2 23 TRP QB 2.400 . 3.100 2.670 2.537 2.857 . 0 0 "[ . 1]" 1
1245 2 25 LEU H 2 25 LEU HA 2.800 . 3.800 2.875 2.833 2.906 . 0 0 "[ . 1]" 1
1246 2 58 PRO HB3 2 59 GLY H 3.900 . 5.800 4.418 4.063 4.667 . 0 0 "[ . 1]" 1
1247 2 56 GLU HG2 2 57 ASP H 4.000 . 6.000 4.740 3.448 5.336 . 0 0 "[ . 1]" 1
1248 2 45 LEU H 2 46 SER H 3.900 . 5.800 4.166 3.968 4.421 . 0 0 "[ . 1]" 1
1249 2 49 ASP H 2 50 ILE MD 4.600 . 6.000 3.757 2.943 4.723 . 0 0 "[ . 1]" 1
1250 2 44 MET H 2 44 MET HG3 3.500 . 5.100 3.594 2.630 4.255 . 0 0 "[ . 1]" 1
1251 2 52 GLN QB 2 53 TRP H 3.100 . 4.300 2.937 2.627 3.624 . 0 0 "[ . 1]" 1
1252 2 46 SER HB3 2 48 ASP H 3.300 . 4.700 3.605 2.816 4.707 0.007 4 0 "[ . 1]" 1
1253 2 54 PHE HB2 2 55 THR H 3.700 . 5.400 4.063 3.414 4.648 . 0 0 "[ . 1]" 1
1254 2 17 GLU H 2 18 THR H 3.400 . 4.900 2.776 2.323 3.144 . 0 0 "[ . 1]" 1
1255 2 39 ALA MB 2 41 ASP H 3.900 . 5.800 3.753 2.416 5.439 . 0 0 "[ . 1]" 1
1256 2 15 SER HA 2 16 GLN H 3.400 . 4.900 3.385 3.262 3.562 . 0 0 "[ . 1]" 1
1257 2 33 SER H 2 33 SER QB 3.100 . 4.300 2.561 2.416 2.752 . 0 0 "[ . 1]" 1
1258 2 52 GLN HE22 2 52 GLN QG 3.300 . 4.700 3.289 3.206 3.483 . 0 0 "[ . 1]" 1
1259 2 30 ASN HA 2 31 VAL H 2.600 . 3.500 3.139 2.190 3.485 . 0 0 "[ . 1]" 1
1260 2 52 GLN H 2 52 GLN QB 2.500 . 3.300 2.558 2.316 2.963 . 0 0 "[ . 1]" 1
1261 2 29 ASN H 2 29 ASN HB2 3.700 . 5.400 3.283 2.507 3.850 . 0 0 "[ . 1]" 1
1262 2 57 ASP H 2 57 ASP HB3 2.800 . 3.800 2.974 2.534 3.810 0.010 2 0 "[ . 1]" 1
1263 2 36 PRO HG2 2 38 GLN H 3.900 . 5.800 5.346 4.520 5.821 0.021 2 0 "[ . 1]" 1
1264 2 42 ASP H 2 43 LEU HG 4.500 . 6.000 4.975 3.427 6.027 0.027 8 0 "[ . 1]" 1
1265 2 58 PRO HA 2 59 GLY H 2.400 . 6.000 3.319 3.007 3.534 . 0 0 "[ . 1]" 1
1266 2 49 ASP QB 2 50 ILE H 3.400 . 4.800 2.813 2.562 3.226 . 0 0 "[ . 1]" 1
1267 2 17 GLU HB3 2 18 THR H 3.300 . 4.700 3.430 2.003 4.327 . 0 0 "[ . 1]" 1
1268 2 45 LEU H 2 45 LEU QB 2.400 . 3.100 2.308 2.237 2.487 . 0 0 "[ . 1]" 1
1269 2 40 MET HA 2 41 ASP H 2.500 . 3.300 3.332 2.863 3.515 0.215 9 0 "[ . 1]" 1
1270 2 50 ILE H 2 50 ILE MD 2.800 . 3.800 2.452 1.915 3.322 . 0 0 "[ . 1]" 1
1271 2 55 THR H 2 55 THR MG 3.100 . 4.300 3.077 2.288 3.835 . 0 0 "[ . 1]" 1
1272 2 50 ILE H 2 51 GLU H 2.700 . 3.600 2.743 2.389 3.003 . 0 0 "[ . 1]" 1
1273 2 14 LEU H 2 14 LEU QB 2.600 . 3.500 3.104 2.486 3.421 . 0 0 "[ . 1]" 1
1274 2 41 ASP H 2 41 ASP QB 2.600 . 3.500 2.537 2.238 2.966 . 0 0 "[ . 1]" 1
1275 2 53 TRP HA 2 53 TRP HE1 4.500 . 6.000 6.133 6.036 6.231 0.231 6 0 "[ . 1]" 1
1276 2 44 MET HG2 2 45 LEU H 4.600 . 6.000 3.663 1.858 4.698 0.142 4 0 "[ . 1]" 1
1277 2 52 GLN HA 2 53 TRP H 3.100 . 4.300 3.509 3.459 3.555 . 0 0 "[ . 1]" 1
1278 2 35 LEU H 2 36 PRO HD3 4.100 . 6.000 4.397 3.775 4.869 . 0 0 "[ . 1]" 1
1279 2 51 GLU H 2 51 GLU HA 2.900 . 3.900 2.790 2.715 2.840 . 0 0 "[ . 1]" 1
1280 2 23 TRP HA 2 25 LEU H 3.400 . 4.900 3.205 3.082 3.386 . 0 0 "[ . 1]" 1
1281 2 53 TRP QB 2 53 TRP HE1 4.500 . 6.000 4.430 4.382 4.461 . 0 0 "[ . 1]" 1
1282 2 24 LYS HA 2 26 LEU H 3.400 . 4.900 3.150 2.779 3.514 . 0 0 "[ . 1]" 1
1283 2 32 LEU QB 2 33 SER H 3.800 . 5.600 3.432 2.922 3.729 . 0 0 "[ . 1]" 1
1284 2 39 ALA HA 2 40 MET H 2.500 . 3.300 2.424 2.162 3.294 . 0 0 "[ . 1]" 1
1285 2 50 ILE HA 2 51 GLU H 3.000 . 4.100 3.463 3.314 3.582 . 0 0 "[ . 1]" 1
1286 2 51 GLU H 2 51 GLU QG 3.500 . 5.000 3.052 2.096 3.973 . 0 0 "[ . 1]" 1
1287 2 32 LEU HA 2 33 SER H 2.500 . 3.300 2.415 2.101 3.168 . 0 0 "[ . 1]" 1
1288 2 55 THR H 2 55 THR HB 3.300 . 4.700 3.303 2.724 3.709 . 0 0 "[ . 1]" 1
1289 2 23 TRP H 2 24 LYS H 2.500 . 3.300 2.399 2.148 2.644 . 0 0 "[ . 1]" 1
1290 2 58 PRO QD 2 59 GLY H 3.000 . 4.100 2.922 2.262 3.161 . 0 0 "[ . 1]" 1
1291 2 27 PRO HA 2 28 GLU H 2.400 . 3.100 2.249 2.223 2.303 . 0 0 "[ . 1]" 1
1292 2 54 PHE HA 2 55 THR H 2.700 . 3.600 3.007 2.134 3.545 . 0 0 "[ . 1]" 1
1293 2 31 VAL H 2 31 VAL HA 3.000 . 4.100 2.320 2.251 2.822 . 0 0 "[ . 1]" 1
1294 2 22 LEU HB2 2 23 TRP H 2.900 . 3.900 2.750 2.601 2.948 . 0 0 "[ . 1]" 1
1295 2 56 GLU HB3 2 57 ASP H 3.900 . 5.800 3.945 2.492 4.494 . 0 0 "[ . 1]" 1
1296 2 24 LYS H 2 24 LYS HA 2.700 . 3.600 2.889 2.867 2.915 . 0 0 "[ . 1]" 1
1297 2 54 PHE QD 2 55 THR H 3.700 . 5.400 3.128 2.295 3.696 . 0 0 "[ . 1]" 1
1298 2 26 LEU H 2 26 LEU QD 3.000 . 4.100 2.770 2.442 3.203 . 0 0 "[ . 1]" 1
1299 2 26 LEU QB 2 28 GLU H 3.200 . 4.500 4.560 4.506 4.631 0.131 4 0 "[ . 1]" 1
1300 2 14 LEU QB 2 15 SER H 4.100 . 6.000 2.920 2.238 3.946 . 0 0 "[ . 1]" 1
1301 2 38 GLN H 2 38 GLN HB3 3.800 . 5.600 2.568 2.421 2.827 . 0 0 "[ . 1]" 1
1302 2 39 ALA MB 2 42 ASP H 3.100 . 6.000 4.322 2.379 5.638 . 0 0 "[ . 1]" 1
1303 2 22 LEU H 2 22 LEU QD 4.200 . 6.000 3.059 2.875 3.167 . 0 0 "[ . 1]" 1
1304 2 47 PRO HB3 2 48 ASP H 3.500 . 5.000 4.094 3.832 4.581 . 0 0 "[ . 1]" 1
1305 2 52 GLN QG 2 53 TRP H 4.000 . 6.000 3.637 2.588 4.081 . 0 0 "[ . 1]" 1
1306 2 28 GLU QB 2 29 ASN HD21 4.100 . 6.000 5.661 4.648 6.437 0.437 1 0 "[ . 1]" 1
1307 2 58 PRO QG 2 59 GLY H 3.300 . 4.600 3.623 2.674 4.441 . 0 0 "[ . 1]" 1
1308 2 22 LEU H 2 22 LEU HB2 2.100 . 2.600 2.103 1.981 2.174 . 0 0 "[ . 1]" 1
1309 2 45 LEU HB2 2 46 SER H 4.100 . 6.000 4.191 3.895 4.268 . 0 0 "[ . 1]" 1
1310 2 31 VAL H 2 31 VAL HB 3.100 . 4.300 3.573 2.507 3.976 . 0 0 "[ . 1]" 1
1311 2 44 MET QB 2 45 LEU H 2.900 . 3.900 2.403 1.880 3.364 0.020 5 0 "[ . 1]" 1
1312 2 40 MET H 2 40 MET HG2 3.600 . 5.200 3.573 2.230 4.556 . 0 0 "[ . 1]" 1
1313 2 27 PRO HD2 2 28 GLU H 3.000 . 6.000 4.964 4.673 5.226 . 0 0 "[ . 1]" 1
1314 2 47 PRO HB2 2 48 ASP H 3.300 . 4.700 2.881 2.456 3.805 . 0 0 "[ . 1]" 1
1315 2 22 LEU H 2 22 LEU HA 2.700 . 3.600 2.808 2.780 2.847 . 0 0 "[ . 1]" 1
1316 2 50 ILE MD 2 53 TRP HE1 4.200 . 6.000 4.911 4.145 5.679 . 0 0 "[ . 1]" 1
1317 2 21 ASP H 2 21 ASP QB 2.800 . 3.800 2.322 2.155 2.391 . 0 0 "[ . 1]" 1
1318 2 42 ASP H 2 43 LEU H 2.600 . 3.400 2.729 2.173 3.134 . 0 0 "[ . 1]" 1
1319 2 43 LEU H 2 44 MET QB 4.300 . 6.000 4.333 3.495 4.900 . 0 0 "[ . 1]" 1
1320 2 38 GLN HE21 2 38 GLN QG 2.800 . 3.700 2.199 2.161 2.246 . 0 0 "[ . 1]" 1
1321 2 22 LEU HB3 2 23 TRP H 3.800 . 5.600 3.736 3.620 3.893 . 0 0 "[ . 1]" 1
1322 2 54 PHE H 2 54 PHE HB3 2.900 . 3.900 2.520 2.189 2.816 . 0 0 "[ . 1]" 1
1323 2 24 LYS H 2 24 LYS QG 2.900 . 4.000 2.580 2.399 2.726 . 0 0 "[ . 1]" 1
1324 2 52 GLN QB 2 52 GLN HE22 4.200 . 6.000 3.777 3.222 4.147 . 0 0 "[ . 1]" 1
1325 2 29 ASN HD22 2 32 LEU HB3 3.800 . 5.600 4.458 2.660 6.482 0.882 2 1 "[ + . 1]" 1
1326 2 53 TRP H 2 53 TRP HA 3.000 . 4.100 2.935 2.929 2.942 . 0 0 "[ . 1]" 1
1327 2 49 ASP HB2 2 50 ILE H 3.400 . 4.800 3.298 2.609 4.073 . 0 0 "[ . 1]" 1
1328 2 19 PHE HB2 2 22 LEU MD1 4.800 . 6.000 4.231 3.701 4.897 . 0 0 "[ . 1]" 1
1329 2 23 TRP HZ2 2 26 LEU MD1 3.100 . 6.000 5.869 5.487 6.055 0.055 5 0 "[ . 1]" 1
1330 2 19 PHE HB3 2 19 PHE QD 2.600 . 3.500 2.402 2.323 2.443 . 0 0 "[ . 1]" 1
1331 2 23 TRP HZ2 2 24 LYS HB2 4.000 . 6.000 4.745 3.261 5.625 . 0 0 "[ . 1]" 1
1332 2 23 TRP HE3 2 24 LYS QG 4.000 . 6.000 4.328 3.900 4.732 . 0 0 "[ . 1]" 1
1333 2 35 LEU MD1 2 36 PRO HD3 3.100 . 4.300 3.099 2.582 3.573 . 0 0 "[ . 1]" 1
1334 2 19 PHE HB2 2 19 PHE QD 2.700 . 3.600 2.378 2.336 2.468 . 0 0 "[ . 1]" 1
1335 2 50 ILE MG 2 54 PHE HB3 4.200 . 6.000 3.196 1.930 4.533 0.070 10 0 "[ . 1]" 1
1336 1 48 TRP HD1 2 44 MET ME 3.900 . 5.800 5.325 4.773 5.661 . 0 0 "[ . 1]" 1
1337 2 23 TRP HA 2 23 TRP QB 2.300 . 3.000 2.182 2.176 2.188 . 0 0 "[ . 1]" 1
1338 2 50 ILE MD 2 51 GLU QG 3.800 . 5.600 4.763 3.329 5.619 0.019 9 0 "[ . 1]" 1
1339 2 55 THR HB 2 55 THR MG 2.200 . 2.800 2.132 2.124 2.134 . 0 0 "[ . 1]" 1
1340 2 59 GLY H 2 59 GLY HA2 2.700 . 3.600 2.608 2.333 2.959 . 0 0 "[ . 1]" 1
1341 2 35 LEU H 2 35 LEU HB2 2.500 . 3.300 2.816 2.244 3.364 0.064 10 0 "[ . 1]" 1
1342 2 45 LEU HA 2 46 SER H 2.400 . 3.100 2.166 2.130 2.226 . 0 0 "[ . 1]" 1
1343 2 50 ILE H 2 50 ILE MD 3.700 . 5.400 3.675 3.551 3.792 . 0 0 "[ . 1]" 1
1344 2 50 ILE MG 2 54 PHE QD 3.000 . 4.200 2.831 2.134 3.604 . 0 0 "[ . 1]" 1
1345 2 23 TRP HZ3 2 24 LYS HA 4.200 . 6.000 4.467 4.048 4.782 . 0 0 "[ . 1]" 1
1346 2 39 ALA HA 2 40 MET QB 3.500 . 5.100 4.185 3.841 4.515 . 0 0 "[ . 1]" 1
1347 2 31 VAL QG 2 33 SER H 3.300 . 4.700 3.804 2.670 4.795 0.095 6 0 "[ . 1]" 1
1348 2 50 ILE MD 2 54 PHE HB2 3.900 . 5.800 3.529 2.576 4.718 . 0 0 "[ . 1]" 1
1349 2 35 LEU H 2 35 LEU HG 3.400 . 4.800 4.457 4.119 4.565 . 0 0 "[ . 1]" 1
1350 2 28 GLU H 2 28 GLU HB2 3.200 . 4.400 3.116 2.336 4.104 . 0 0 "[ . 1]" 1
1351 2 57 ASP HB2 2 58 PRO QD 2.700 . 3.600 3.165 1.902 4.127 0.527 2 1 "[ + . 1]" 1
1352 2 24 LYS HA 2 24 LYS QG 2.500 . 3.300 2.381 2.300 2.425 . 0 0 "[ . 1]" 1
1353 2 44 MET QB 2 44 MET HG3 2.300 . 3.000 2.167 2.019 2.305 . 0 0 "[ . 1]" 1
1354 2 24 LYS QE 2 24 LYS QG 2.500 . 3.300 2.361 2.149 2.830 . 0 0 "[ . 1]" 1
1355 2 52 GLN QG 2 53 TRP HD1 4.100 . 6.000 3.327 1.919 4.417 0.081 3 0 "[ . 1]" 1
1356 2 35 LEU MD1 2 36 PRO HD2 3.200 . 4.400 2.078 1.863 2.603 0.137 7 0 "[ . 1]" 1
1357 2 50 ILE HA 2 53 TRP HD1 3.800 . 5.600 4.795 4.224 5.204 . 0 0 "[ . 1]" 1
1358 2 48 ASP H 2 48 ASP HA 2.700 . 3.600 2.800 2.730 2.849 . 0 0 "[ . 1]" 1
1359 2 24 LYS HA 2 24 LYS QE 4.100 . 6.000 4.422 3.863 4.910 . 0 0 "[ . 1]" 1
1360 2 16 GLN HB2 2 19 PHE QD 2.900 . 6.000 4.237 2.037 6.034 0.034 7 0 "[ . 1]" 1
1361 2 28 GLU H 2 28 GLU HB3 3.500 . 5.000 3.371 2.838 3.857 . 0 0 "[ . 1]" 1
1362 2 50 ILE HB 2 50 ILE MD 2.400 . 3.100 2.449 2.389 2.496 . 0 0 "[ . 1]" 1
1363 2 23 TRP HE3 2 26 LEU QD 3.500 . 5.000 2.290 1.973 2.882 0.027 7 0 "[ . 1]" 1
1364 2 18 THR HB 2 18 THR MG 2.300 . 2.900 2.135 2.130 2.140 . 0 0 "[ . 1]" 1
1365 2 24 LYS H 2 24 LYS QD 4.500 . 6.000 3.886 3.661 4.111 . 0 0 "[ . 1]" 1
1366 2 26 LEU H 2 26 LEU HA 2.700 . 3.600 2.903 2.863 2.929 . 0 0 "[ . 1]" 1
1367 2 22 LEU H 2 22 LEU MD1 3.800 . 5.600 3.618 3.542 3.724 . 0 0 "[ . 1]" 1
1368 2 44 MET H 2 44 MET ME 3.700 . 5.400 3.570 2.960 4.332 . 0 0 "[ . 1]" 1
1369 2 19 PHE HA 2 19 PHE HB2 2.500 . 3.300 2.970 2.503 3.026 . 0 0 "[ . 1]" 1
1370 2 50 ILE H 2 50 ILE MG 2.700 . 3.600 2.570 1.920 3.714 0.114 8 0 "[ . 1]" 1
1371 2 50 ILE HB 2 50 ILE HG13 2.700 . 3.600 2.453 2.389 2.528 . 0 0 "[ . 1]" 1
1372 2 55 THR HA 2 56 GLU H 2.500 . 3.300 2.266 2.145 2.610 . 0 0 "[ . 1]" 1
1373 2 19 PHE HA 2 19 PHE QE 4.600 . 6.000 4.606 4.551 4.751 . 0 0 "[ . 1]" 1
1374 2 50 ILE H 2 50 ILE HG13 2.900 . 3.900 3.013 2.315 3.405 . 0 0 "[ . 1]" 1
1375 2 23 TRP HA 2 23 TRP HB3 2.700 . 3.600 2.478 2.439 2.509 . 0 0 "[ . 1]" 1
1376 2 22 LEU HB3 2 23 TRP HA 3.600 . 5.200 4.356 4.281 4.531 . 0 0 "[ . 1]" 1
1377 2 32 LEU HA 2 32 LEU QD 2.500 . 3.000 2.009 1.953 2.085 . 0 0 "[ . 1]" 1
1378 2 21 ASP HA 2 24 LYS QD 3.400 . 4.900 2.033 1.748 2.798 0.152 6 0 "[ . 1]" 1
1379 2 43 LEU HA 2 43 LEU HB2 2.700 . 3.600 2.871 2.588 3.019 . 0 0 "[ . 1]" 1
1380 2 19 PHE HA 2 22 LEU MD2 3.900 . 5.800 3.548 2.967 4.537 . 0 0 "[ . 1]" 1
1381 2 43 LEU MD1 2 44 MET ME 2.800 . 3.800 2.559 2.153 3.398 . 0 0 "[ . 1]" 1
1382 2 34 PRO HA 2 35 LEU HB3 3.600 . 5.200 4.856 4.607 5.649 0.449 3 0 "[ . 1]" 1
1383 2 50 ILE MD 2 54 PHE HB2 4.000 . 6.000 2.919 2.524 3.341 . 0 0 "[ . 1]" 1
1384 2 48 ASP HB2 2 49 ASP H 3.500 . 5.000 3.093 1.957 4.011 0.043 5 0 "[ . 1]" 1
1385 2 47 PRO HA 2 47 PRO QG 3.700 . 5.400 2.920 2.767 3.478 . 0 0 "[ . 1]" 1
1386 2 51 GLU HA 2 52 GLN H 2.900 . 3.900 3.368 3.293 3.488 . 0 0 "[ . 1]" 1
1387 2 24 LYS HB3 2 24 LYS QG 2.600 . 3.400 2.331 2.287 2.389 . 0 0 "[ . 1]" 1
1388 2 27 PRO HB2 2 28 GLU H 4.100 . 6.000 4.173 4.071 4.241 . 0 0 "[ . 1]" 1
1389 2 51 GLU HA 2 55 THR MG 3.300 . 4.700 3.075 1.967 4.302 . 0 0 "[ . 1]" 1
1390 2 47 PRO HA 2 50 ILE MD 2.900 . 3.900 2.089 1.858 2.412 0.042 8 0 "[ . 1]" 1
1391 2 44 MET HG2 2 45 LEU QB 3.900 . 5.800 3.901 2.066 5.010 . 0 0 "[ . 1]" 1
1392 2 55 THR HA 2 56 GLU HB3 4.300 . 6.000 4.867 4.394 5.991 . 0 0 "[ . 1]" 1
1393 2 50 ILE MG 2 53 TRP HE3 3.800 . 5.600 3.490 2.553 5.209 . 0 0 "[ . 1]" 1
1394 2 18 THR HB 2 22 LEU HG 3.300 . 4.700 4.343 3.727 4.761 0.061 10 0 "[ . 1]" 1
1395 2 24 LYS HA 2 24 LYS QD 3.900 . 5.800 4.088 3.979 4.205 . 0 0 "[ . 1]" 1
1396 2 52 GLN H 2 52 GLN HB3 3.200 . 4.400 3.258 2.489 3.684 . 0 0 "[ . 1]" 1
1397 2 23 TRP HA 2 23 TRP HD1 4.200 . 6.000 4.432 4.365 4.477 . 0 0 "[ . 1]" 1
1398 2 44 MET HG3 2 45 LEU H 4.300 . 6.000 4.189 3.548 4.638 . 0 0 "[ . 1]" 1
1399 2 20 SER HA 2 23 TRP HD1 3.400 . 4.800 2.922 2.426 3.411 . 0 0 "[ . 1]" 1
1400 2 44 MET HA 2 44 MET HG3 2.900 . 4.000 3.115 2.372 4.249 0.249 3 0 "[ . 1]" 1
1401 2 30 ASN HB3 2 32 LEU HA 3.800 . 5.600 5.112 4.157 6.439 0.839 3 1 "[ + . 1]" 1
1402 2 59 GLY HA2 2 60 PRO QD 2.400 . 3.100 2.253 1.720 3.065 . 0 0 "[ . 1]" 1
1403 2 50 ILE MD 2 51 GLU H 3.600 . 5.200 4.450 3.977 4.908 . 0 0 "[ . 1]" 1
1404 2 50 ILE HB 2 50 ILE MG 2.200 . 2.800 2.112 2.097 2.119 . 0 0 "[ . 1]" 1
1405 2 24 LYS HB2 2 24 LYS QE 4.300 . 6.000 3.402 2.699 4.055 . 0 0 "[ . 1]" 1
1406 2 16 GLN HA 2 19 PHE QD 3.400 . 4.800 2.736 1.974 4.822 0.026 8 0 "[ . 1]" 1
1407 2 15 SER HB2 2 16 GLN H 3.500 . 5.000 3.726 2.521 4.234 . 0 0 "[ . 1]" 1
1408 2 17 GLU HA 2 17 GLU HB3 2.300 . 3.000 2.534 2.350 3.021 0.021 2 0 "[ . 1]" 1
1409 2 59 GLY HA2 2 60 PRO QG 4.500 . 6.000 4.038 3.646 4.762 . 0 0 "[ . 1]" 1
1410 2 58 PRO HA 2 58 PRO HB3 1.900 . 2.400 2.293 2.265 2.323 . 0 0 "[ . 1]" 1
1411 2 23 TRP H 2 23 TRP HB3 2.700 . 3.600 2.742 2.591 2.965 . 0 0 "[ . 1]" 1
1412 2 50 ILE MD 2 53 TRP HD1 4.300 . 6.000 5.934 5.526 6.148 0.148 8 0 "[ . 1]" 1
1413 2 20 SER HA 2 23 TRP QB 4.200 . 6.000 5.277 4.875 5.746 . 0 0 "[ . 1]" 1
1414 2 19 PHE HA 2 19 PHE QD 2.600 . 3.400 2.849 2.763 3.087 . 0 0 "[ . 1]" 1
1415 2 24 LYS HA 2 24 LYS HB3 2.500 . 3.300 2.531 2.505 2.565 . 0 0 "[ . 1]" 1
1416 2 47 PRO HB3 2 49 ASP H 4.300 . 6.000 6.057 5.738 6.736 0.736 3 2 "[ + - 1]" 1
1417 2 54 PHE HB3 2 54 PHE QD 2.700 . 3.600 2.639 2.470 2.770 . 0 0 "[ . 1]" 1
1418 2 16 GLN HA 2 16 GLN HB2 2.400 . 3.100 2.919 2.478 3.024 . 0 0 "[ . 1]" 1
1419 2 45 LEU HB2 2 54 PHE HB3 2.500 . 6.000 5.637 4.796 6.069 0.069 7 0 "[ . 1]" 1
1420 2 49 ASP H 2 49 ASP HB3 3.400 . 4.800 3.225 2.534 3.675 . 0 0 "[ . 1]" 1
1421 2 45 LEU QD 2 53 TRP HE3 3.900 . 5.800 3.227 2.485 3.485 . 0 0 "[ . 1]" 1
1422 2 53 TRP QB 2 54 PHE QD 4.000 . 6.000 5.852 5.531 6.091 0.091 1 0 "[ . 1]" 1
1423 2 47 PRO HA 2 50 ILE HB 3.900 . 5.800 4.010 1.925 5.033 0.075 4 0 "[ . 1]" 1
1424 2 47 PRO HA 2 47 PRO HB3 2.200 . 2.800 2.293 2.249 2.318 . 0 0 "[ . 1]" 1
1425 2 54 PHE HA 2 55 THR MG 3.000 . 6.000 4.967 4.132 6.003 0.003 6 0 "[ . 1]" 1
1426 2 45 LEU HA 2 45 LEU QD . . 2.800 1.946 1.786 2.152 0.114 2 0 "[ . 1]" 1
1427 2 24 LYS HB3 2 24 LYS QE 4.200 . 6.000 3.066 1.964 4.196 0.036 6 0 "[ . 1]" 1
1428 2 26 LEU H 2 27 PRO HD2 4.300 . 6.000 5.203 4.746 5.472 . 0 0 "[ . 1]" 1
1429 2 23 TRP HE3 2 26 LEU HG 4.000 . 6.000 3.446 2.800 4.192 . 0 0 "[ . 1]" 1
1430 2 50 ILE HB 2 50 ILE HG12 2.800 . 3.800 3.021 3.005 3.031 . 0 0 "[ . 1]" 1
1431 2 59 GLY H 2 59 GLY HA3 2.800 . 3.800 2.716 2.300 2.931 . 0 0 "[ . 1]" 1
1432 2 50 ILE HB 2 50 ILE MD 2.200 . 2.800 1.994 1.981 2.008 . 0 0 "[ . 1]" 1
1433 2 50 ILE HA 2 53 TRP QB 4.100 . 6.000 5.120 4.695 5.477 . 0 0 "[ . 1]" 1
1434 2 31 VAL HA 2 32 LEU QB 4.100 . 6.000 3.978 3.809 4.283 . 0 0 "[ . 1]" 1
1435 2 20 SER HA 2 20 SER HB2 2.500 . 3.300 2.718 2.481 3.030 . 0 0 "[ . 1]" 1
1436 2 51 GLU QG 2 52 GLN H 3.800 . 5.600 4.315 3.647 4.571 . 0 0 "[ . 1]" 1
1437 2 21 ASP HA 2 24 LYS HB2 3.400 . 4.900 2.790 1.950 3.812 . 0 0 "[ . 1]" 1
1438 2 26 LEU QD 2 27 PRO HA 3.700 . 5.400 4.362 3.873 5.424 0.024 6 0 "[ . 1]" 1
1439 2 23 TRP QB 2 23 TRP HE3 2.800 . 3.800 2.511 2.462 2.559 . 0 0 "[ . 1]" 1
1440 2 50 ILE MD 2 50 ILE HG13 2.300 . 3.000 2.089 2.086 2.090 . 0 0 "[ . 1]" 1
1441 2 24 LYS H 2 24 LYS HB3 3.500 . 5.100 3.599 3.577 3.621 . 0 0 "[ . 1]" 1
1442 2 24 LYS QD 2 24 LYS QG 2.300 . 2.900 2.048 2.001 2.091 . 0 0 "[ . 1]" 1
1443 2 50 ILE HA 2 50 ILE HB 2.700 . 3.600 2.580 2.389 2.998 . 0 0 "[ . 1]" 1
1444 2 50 ILE HB 2 51 GLU H 3.200 . 4.500 3.749 2.830 4.237 . 0 0 "[ . 1]" 1
1445 2 26 LEU H 2 26 LEU HG 2.400 . 3.100 1.901 1.692 2.483 0.008 4 0 "[ . 1]" 1
1446 2 50 ILE MD 2 50 ILE HG12 2.200 . 2.800 2.116 2.112 2.120 . 0 0 "[ . 1]" 1
1447 2 53 TRP HA 2 53 TRP HD1 3.500 . 5.000 4.056 3.872 4.288 . 0 0 "[ . 1]" 1
1448 2 54 PHE HB2 2 55 THR MG 3.000 . 6.000 5.496 4.581 6.191 0.191 6 0 "[ . 1]" 1
1449 2 24 LYS HA 2 26 LEU MD1 2.900 . 3.900 3.298 2.427 3.947 0.047 6 0 "[ . 1]" 1
1450 2 53 TRP HA 2 53 TRP HE3 4.200 . 6.000 4.626 4.331 4.825 . 0 0 "[ . 1]" 1
1451 2 26 LEU H 2 26 LEU MD2 4.500 . 6.000 3.444 3.371 3.545 . 0 0 "[ . 1]" 1
1452 2 21 ASP HA 2 24 LYS QE 3.800 . 5.600 3.312 1.999 4.604 0.001 9 0 "[ . 1]" 1
1453 2 23 TRP H 2 23 TRP HD1 2.800 . 3.800 2.383 2.130 2.625 . 0 0 "[ . 1]" 1
1454 2 30 ASN HB3 2 32 LEU HB2 3.200 . 4.500 3.307 2.457 4.895 0.395 3 0 "[ . 1]" 1
1455 2 14 LEU HA 2 14 LEU QD 2.600 . 3.500 2.435 1.863 3.373 . 0 0 "[ . 1]" 1
1456 2 23 TRP HH2 2 24 LYS QE 3.200 . 6.000 5.483 4.886 6.056 0.056 7 0 "[ . 1]" 1
1457 2 50 ILE HA 2 50 ILE MG 2.500 . 3.300 2.434 2.284 2.780 . 0 0 "[ . 1]" 1
1458 2 57 ASP HB3 2 58 PRO QD 3.100 . 4.300 3.534 2.596 3.840 . 0 0 "[ . 1]" 1
1459 2 23 TRP H 2 24 LYS QG 3.600 . 5.200 3.670 3.503 3.839 . 0 0 "[ . 1]" 1
1460 2 54 PHE HB3 2 55 THR MG 3.500 . 5.000 4.315 3.051 5.058 0.058 8 0 "[ . 1]" 1
1461 2 22 LEU QD 2 22 LEU HG 2.200 . 2.800 1.895 1.893 1.896 . 0 0 "[ . 1]" 1
1462 2 51 GLU HA 2 51 GLU HB3 2.600 . 3.500 2.740 2.469 3.022 . 0 0 "[ . 1]" 1
1463 2 18 THR HA 2 18 THR MG 2.400 . 3.100 2.281 2.230 2.325 . 0 0 "[ . 1]" 1
1464 2 23 TRP HE3 2 24 LYS HA 3.500 . 5.100 3.727 3.350 3.990 . 0 0 "[ . 1]" 1
1465 2 22 LEU HA 2 22 LEU MD2 2.200 . 2.800 1.995 1.957 2.076 . 0 0 "[ . 1]" 1
1466 2 14 LEU HA 2 14 LEU MD2 3.000 . 4.100 3.145 2.005 4.085 . 0 0 "[ . 1]" 1
1467 2 50 ILE HA 2 50 ILE MD 3.300 . 4.700 4.026 3.682 4.192 . 0 0 "[ . 1]" 1
1468 2 43 LEU HA 2 43 LEU HB2 2.500 . 3.300 2.561 2.230 2.845 . 0 0 "[ . 1]" 1
1469 2 50 ILE HA 2 53 TRP HD1 3.800 . 5.600 3.804 3.480 4.254 . 0 0 "[ . 1]" 1
1470 2 31 VAL HA 2 31 VAL HB 2.600 . 3.500 2.973 2.495 3.031 . 0 0 "[ . 1]" 1
1471 2 38 GLN QG 2 39 ALA HA 3.300 . 4.600 4.014 3.411 4.620 0.020 3 0 "[ . 1]" 1
1472 2 48 ASP HA 2 48 ASP HB3 2.600 . 3.400 2.686 2.405 3.029 . 0 0 "[ . 1]" 1
1473 2 25 LEU HA 2 25 LEU MD2 2.100 . 2.700 2.012 1.972 2.048 . 0 0 "[ . 1]" 1
1474 2 50 ILE MG 2 51 GLU H 3.400 . 4.800 3.711 2.882 4.106 . 0 0 "[ . 1]" 1
1475 2 23 TRP HB3 2 23 TRP HD1 3.000 . 4.100 2.697 2.667 2.738 . 0 0 "[ . 1]" 1
1476 2 22 LEU HA 2 22 LEU HB2 2.900 . 4.000 3.015 3.011 3.018 . 0 0 "[ . 1]" 1
1477 2 46 SER HA 2 46 SER HB3 2.500 . 3.300 2.535 2.310 3.034 . 0 0 "[ . 1]" 1
1478 2 59 GLY HA2 2 60 PRO HB3 4.300 . 6.000 5.287 4.892 5.800 . 0 0 "[ . 1]" 1
1479 2 50 ILE HA 2 53 TRP HE3 3.800 . 5.600 4.579 3.773 5.181 . 0 0 "[ . 1]" 1
1480 2 45 LEU QB 2 50 ILE MD 2.700 . 3.600 2.262 1.849 3.131 . 0 0 "[ . 1]" 1
1481 2 25 LEU H 2 25 LEU MD2 3.600 . 5.200 3.314 3.153 3.428 . 0 0 "[ . 1]" 1
1482 2 50 ILE MD 2 54 PHE HB3 3.700 . 5.400 2.364 1.922 2.892 0.078 10 0 "[ . 1]" 1
1483 2 27 PRO HB3 2 28 GLU H 4.800 . 6.000 4.295 4.154 4.409 . 0 0 "[ . 1]" 1
1484 2 25 LEU H 2 25 LEU HG 2.600 . 3.500 2.388 2.209 2.506 . 0 0 "[ . 1]" 1
1485 2 59 GLY HA3 2 60 PRO QD 2.300 . 3.000 2.566 1.712 3.260 0.260 7 0 "[ . 1]" 1
1486 2 48 ASP HA 2 48 ASP HB2 2.800 . 3.800 2.732 2.396 3.028 . 0 0 "[ . 1]" 1
1487 2 52 GLN HA 2 52 GLN HB2 2.800 . 3.800 2.818 2.440 3.023 . 0 0 "[ . 1]" 1
1488 2 21 ASP HA 2 23 TRP HD1 3.600 . 5.300 4.944 4.382 5.367 0.067 10 0 "[ . 1]" 1
1489 2 21 ASP HA 2 24 LYS HB3 4.100 . 6.000 4.180 3.540 4.880 . 0 0 "[ . 1]" 1
1490 2 52 GLN HA 2 52 GLN QG 2.600 . 3.500 2.777 2.439 3.328 . 0 0 "[ . 1]" 1
1491 2 53 TRP QB 2 53 TRP HE3 3.200 . 4.500 2.530 2.454 2.681 . 0 0 "[ . 1]" 1
1492 2 46 SER H 2 46 SER HB2 3.100 . 4.300 2.732 2.406 3.529 . 0 0 "[ . 1]" 1
1493 2 50 ILE HG13 2 50 ILE MG 2.900 . 3.900 3.191 3.173 3.210 . 0 0 "[ . 1]" 1
1494 2 22 LEU H 2 22 LEU HB2 2.400 . 3.100 2.477 2.428 2.576 . 0 0 "[ . 1]" 1
1495 2 47 PRO QG 2 48 ASP H 3.600 . 5.200 3.890 3.385 4.373 . 0 0 "[ . 1]" 1
1496 2 46 SER H 2 46 SER HB3 3.200 . 4.500 3.250 2.529 3.638 . 0 0 "[ . 1]" 1
1497 2 23 TRP HZ3 2 26 LEU QD 3.700 . 5.400 2.493 1.965 2.985 0.035 9 0 "[ . 1]" 1
1498 2 50 ILE MG 2 54 PHE HB2 3.700 . 5.400 3.405 2.727 4.277 . 0 0 "[ . 1]" 1
1499 2 45 LEU HA 2 45 LEU HB2 2.600 . 3.400 2.784 2.674 2.852 . 0 0 "[ . 1]" 1
1500 2 44 MET HA 2 45 LEU H 2.600 . 3.500 3.555 3.542 3.606 0.106 4 0 "[ . 1]" 1
1501 2 47 PRO HA 2 50 ILE HG12 3.500 . 5.000 2.683 1.942 4.369 0.058 2 0 "[ . 1]" 1
1502 2 45 LEU QD 2 54 PHE QD 2.900 . 3.900 1.884 1.757 2.050 0.143 9 0 "[ . 1]" 1
1503 1 18 PHE QE 2 44 MET ME 3.100 . 4.300 3.995 2.924 4.408 0.108 1 0 "[ . 1]" 1
1504 2 50 ILE MD 2 51 GLU QG 3.700 . 5.400 4.049 2.841 5.306 . 0 0 "[ . 1]" 1
1505 2 22 LEU H 2 22 LEU HG 2.400 . 3.100 2.288 2.059 2.454 . 0 0 "[ . 1]" 1
1506 2 52 GLN H 2 52 GLN QG 3.000 . 4.100 2.474 1.844 4.055 0.056 7 0 "[ . 1]" 1
1507 2 22 LEU HA 2 22 LEU HB3 2.300 . 3.000 2.486 2.435 2.517 . 0 0 "[ . 1]" 1
1508 2 23 TRP HE3 2 26 LEU MD1 3.100 . 4.300 2.537 1.998 3.349 . 0 0 "[ . 1]" 1
1509 2 45 LEU QD 2 46 SER H 3.900 . 5.800 3.610 3.104 3.821 . 0 0 "[ . 1]" 1
1510 2 19 PHE QD 2 22 LEU MD2 2.800 . 6.000 4.694 4.151 5.987 . 0 0 "[ . 1]" 1
1511 2 50 ILE HG13 2 54 PHE QD 4.100 . 6.000 4.204 3.713 4.725 . 0 0 "[ . 1]" 1
1512 2 55 THR HA 2 55 THR MG 2.600 . 3.400 2.537 2.221 3.231 . 0 0 "[ . 1]" 1
1513 2 50 ILE H 2 50 ILE HB 2.900 . 3.900 3.214 2.166 3.650 . 0 0 "[ . 1]" 1
1514 2 19 PHE QD 2 22 LEU HG 4.400 . 6.000 4.408 4.056 5.552 . 0 0 "[ . 1]" 1
1515 2 23 TRP HZ2 2 24 LYS QE 3.800 . 5.600 4.765 4.023 5.650 0.050 6 0 "[ . 1]" 1
1516 2 43 LEU H 2 43 LEU MD2 3.600 . 5.200 3.610 2.374 4.304 . 0 0 "[ . 1]" 1
1517 2 50 ILE MD 2 53 TRP HZ2 3.400 . 4.900 3.509 2.555 4.750 . 0 0 "[ . 1]" 1
1518 2 24 LYS QD 2 24 LYS QE 2.200 . 2.800 2.048 1.993 2.091 . 0 0 "[ . 1]" 1
1519 2 50 ILE MG 2 51 GLU HA 3.500 . 5.000 4.514 2.667 5.321 0.321 6 0 "[ . 1]" 1
1520 2 22 LEU H 2 22 LEU MD2 3.900 . 5.800 3.304 3.035 3.450 . 0 0 "[ . 1]" 1
1521 2 51 GLU H 2 51 GLU HB3 2.600 . 3.500 3.191 2.531 3.602 0.102 4 0 "[ . 1]" 1
1522 2 54 PHE HA 2 54 PHE HB2 2.700 . 3.600 2.472 2.337 2.559 . 0 0 "[ . 1]" 1
1523 2 28 GLU HA 2 28 GLU QB 2.300 . 3.000 2.340 2.169 2.544 . 0 0 "[ . 1]" 1
1524 2 23 TRP HA 2 23 TRP HE3 3.800 . 5.600 4.280 4.210 4.348 . 0 0 "[ . 1]" 1
1525 2 14 LEU MD1 2 19 PHE QR 3.200 . 6.000 4.823 2.449 6.045 0.045 8 0 "[ . 1]" 1
1526 2 49 ASP HB3 2 50 ILE H 3.500 . 5.100 3.437 2.812 4.070 . 0 0 "[ . 1]" 1
1527 2 52 GLN HA 2 52 GLN QB 2.400 . 3.100 2.293 2.154 2.362 . 0 0 "[ . 1]" 1
1528 2 56 GLU HA 2 57 ASP HB2 4.100 . 6.000 5.013 4.303 5.808 . 0 0 "[ . 1]" 1
1529 2 19 PHE HA 2 22 LEU MD1 3.000 . 4.100 2.068 1.880 2.304 0.020 6 0 "[ . 1]" 1
1530 2 54 PHE HA 2 54 PHE QD 2.900 . 3.900 2.853 2.085 3.311 . 0 0 "[ . 1]" 1
1531 2 20 SER HA 2 20 SER HB3 2.500 . 3.300 2.601 2.391 3.029 . 0 0 "[ . 1]" 1
1532 2 59 GLY QA 2 60 PRO HD2 2.300 . 2.900 2.466 2.053 2.758 . 0 0 "[ . 1]" 1
1533 1 41 SER HA 2 44 MET QB 2.400 . 6.000 4.628 3.417 5.857 . 0 0 "[ . 1]" 1
1534 2 54 PHE QD 2 55 THR MG 3.600 . 5.300 3.899 2.474 4.755 . 0 0 "[ . 1]" 1
1535 2 52 GLN QB 2 53 TRP HD1 3.400 . 4.900 2.251 1.861 3.401 0.039 5 0 "[ . 1]" 1
1536 2 23 TRP HZ3 2 26 LEU MD1 3.300 . 4.700 2.557 1.972 3.085 . 0 0 "[ . 1]" 1
1537 2 55 THR HA 2 56 GLU QG 4.200 . 6.000 4.868 3.571 5.943 . 0 0 "[ . 1]" 1
1538 2 20 SER HA 2 22 LEU H 3.800 . 5.600 3.869 3.634 4.155 . 0 0 "[ . 1]" 1
1539 2 60 PRO HD2 2 60 PRO QG 2.100 . 2.700 2.218 2.175 2.252 . 0 0 "[ . 1]" 1
1540 2 44 MET H 2 44 MET HG2 3.900 . 5.800 3.816 2.649 4.658 . 0 0 "[ . 1]" 1
1541 2 43 LEU HA 2 43 LEU MD2 2.300 . 2.900 2.285 1.885 2.860 . 0 0 "[ . 1]" 1
1542 2 30 ASN HB2 2 32 LEU HB2 3.600 . 5.300 4.428 3.946 5.337 0.037 7 0 "[ . 1]" 1
1543 2 21 ASP HA 2 24 LYS HB2 2.500 . 3.300 1.945 1.731 2.639 . 0 0 "[ . 1]" 1
1544 2 35 LEU HA 2 35 LEU MD1 2.700 . 3.600 2.070 1.827 2.175 . 0 0 "[ . 1]" 1
1545 2 31 VAL HA 2 31 VAL QG 2.300 . 3.000 2.141 2.124 2.242 . 0 0 "[ . 1]" 1
1546 2 19 PHE HA 2 19 PHE HB3 2.300 . 2.900 2.538 2.439 3.022 0.122 7 0 "[ . 1]" 1
1547 2 21 ASP QB 2 24 LYS QG 3.700 . 5.400 4.549 4.138 4.865 . 0 0 "[ . 1]" 1
1548 2 22 LEU HA 2 22 LEU HG 3.100 . 4.300 3.081 2.963 3.187 . 0 0 "[ . 1]" 1
1549 2 40 MET QB 2 40 MET HG3 2.200 . 2.800 2.296 2.154 2.434 . 0 0 "[ . 1]" 1
1550 2 32 LEU HA 2 32 LEU QB 2.400 . 3.100 2.305 2.293 2.355 . 0 0 "[ . 1]" 1
1551 2 22 LEU HB3 2 22 LEU QD 2.500 . 3.300 2.116 2.111 2.120 . 0 0 "[ . 1]" 1
1552 2 40 MET QB 2 40 MET HG3 2.300 . 3.000 2.138 2.018 2.384 . 0 0 "[ . 1]" 1
1553 2 50 ILE HB 2 53 TRP HZ2 3.800 . 5.600 5.033 4.026 5.738 0.138 4 0 "[ . 1]" 1
1554 2 23 TRP HZ2 2 26 LEU QD 4.000 . 6.000 5.605 5.304 5.893 . 0 0 "[ . 1]" 1
1555 2 23 TRP QB 2 23 TRP HD1 2.600 . 3.500 2.646 2.618 2.683 . 0 0 "[ . 1]" 1
1556 2 20 SER HA 2 23 TRP HB3 4.400 . 6.000 5.535 5.103 6.040 0.040 8 0 "[ . 1]" 1
1557 2 47 PRO HA 2 50 ILE HG13 3.800 . 5.600 2.861 2.431 3.482 . 0 0 "[ . 1]" 1
1558 2 24 LYS HB2 2 24 LYS QG 2.100 . 2.600 2.023 1.962 2.069 . 0 0 "[ . 1]" 1
1559 2 43 LEU HA 2 43 LEU HB3 2.400 . 3.100 2.687 2.390 3.005 . 0 0 "[ . 1]" 1
1560 2 50 ILE MD 2 53 TRP HE3 4.300 . 6.000 5.018 4.805 5.439 . 0 0 "[ . 1]" 1
1561 2 40 MET H 2 40 MET QB 3.200 . 4.500 2.757 2.437 3.106 . 0 0 "[ . 1]" 1
1562 2 54 PHE HB2 2 54 PHE QD 2.600 . 3.400 2.410 2.287 2.695 . 0 0 "[ . 1]" 1
1563 2 28 GLU HA 2 28 GLU QG 2.800 . 3.800 2.899 2.343 3.361 . 0 0 "[ . 1]" 1
1564 1 12 MET ME 2 44 MET HG2 4.300 . 6.000 6.076 5.582 6.574 0.574 1 1 "[+ . 1]" 1
1565 2 50 ILE HA 2 51 GLU HB2 2.200 . 6.000 5.706 5.585 5.873 . 0 0 "[ . 1]" 1
1566 2 33 SER H 2 33 SER HB2 3.600 . 5.200 2.788 2.485 3.517 . 0 0 "[ . 1]" 1
1567 2 35 LEU HA 2 36 PRO HD2 1.800 . 2.200 2.287 1.823 2.634 0.434 5 0 "[ . 1]" 1
1568 2 24 LYS H 2 24 LYS HB2 2.600 . 3.500 2.375 2.330 2.405 . 0 0 "[ . 1]" 1
1569 2 52 GLN QB 2 52 GLN QG 2.000 . 2.500 2.066 1.998 2.088 . 0 0 "[ . 1]" 1
1570 2 23 TRP HD1 2 24 LYS QG 4.100 . 6.000 4.219 3.810 4.737 . 0 0 "[ . 1]" 1
1571 2 50 ILE HA 2 50 ILE HG12 3.500 . 5.000 3.298 2.248 3.783 . 0 0 "[ . 1]" 1
1572 2 21 ASP QB 2 22 LEU H 3.100 . 4.300 3.180 2.899 3.365 . 0 0 "[ . 1]" 1
1573 2 50 ILE MD 2 50 ILE HG13 2.100 . 2.700 2.117 2.115 2.119 . 0 0 "[ . 1]" 1
1574 2 35 LEU QD 2 36 PRO HD2 2.700 . 3.600 2.074 1.860 2.591 . 0 0 "[ . 1]" 1
1575 2 28 GLU H 2 28 GLU QG 3.600 . 5.200 3.127 1.987 4.213 0.013 10 0 "[ . 1]" 1
1576 2 59 GLY HA3 2 60 PRO QG 4.300 . 6.000 4.398 3.605 5.038 . 0 0 "[ . 1]" 1
1577 2 51 GLU HA 2 51 GLU QG 2.800 . 3.800 2.422 2.237 2.893 . 0 0 "[ . 1]" 1
1578 2 24 LYS HA 2 24 LYS HB2 2.800 . 3.800 3.015 3.009 3.021 . 0 0 "[ . 1]" 1
1579 2 50 ILE MD 2 51 GLU HA 3.700 . 5.400 3.718 2.662 4.380 . 0 0 "[ . 1]" 1
1580 2 52 GLN HA 2 52 GLN HB3 2.700 . 3.600 2.514 2.283 3.024 . 0 0 "[ . 1]" 1
1581 2 25 LEU HA 2 25 LEU QB 2.300 . 2.900 2.300 2.294 2.313 . 0 0 "[ . 1]" 1
1582 2 53 TRP QB 2 53 TRP HD1 3.200 . 4.500 2.628 2.523 2.698 . 0 0 "[ . 1]" 1
1583 2 47 PRO HA 2 50 ILE MG 4.100 . 6.000 3.656 2.797 4.225 . 0 0 "[ . 1]" 1
1584 2 19 PHE QD 2 22 LEU MD1 3.000 . 4.200 2.545 2.059 3.970 . 0 0 "[ . 1]" 1
1585 2 24 LYS HB2 2 24 LYS QG 2.500 . 3.300 2.356 2.297 2.402 . 0 0 "[ . 1]" 1
1586 2 50 ILE HA 2 50 ILE HG13 3.300 . 4.600 3.416 2.698 3.755 . 0 0 "[ . 1]" 1
1587 2 14 LEU HA 2 14 LEU QB 2.300 . 3.000 2.349 2.154 2.454 . 0 0 "[ . 1]" 1
1588 2 51 GLU HA 2 54 PHE QD 3.700 . 6.000 5.256 4.320 6.032 0.032 6 0 "[ . 1]" 1
1589 2 39 ALA MB 2 40 MET HG2 4.400 . 6.000 5.511 4.454 6.508 0.508 5 1 "[ + 1]" 1
1590 2 21 ASP QB 2 24 LYS HD2 3.400 . 4.900 4.148 2.884 5.531 0.631 1 1 "[+ . 1]" 1
1591 2 19 PHE QD 2 22 LEU HB2 4.500 . 6.000 5.050 4.361 6.010 0.010 5 0 "[ . 1]" 1
1592 2 26 LEU H 2 27 PRO HD3 4.400 . 6.000 4.706 4.134 5.290 . 0 0 "[ . 1]" 1
1593 2 21 ASP HA 2 24 LYS QG 3.100 . 4.300 2.674 2.365 2.988 . 0 0 "[ . 1]" 1
1594 2 45 LEU H 2 45 LEU QD 3.500 . 5.100 3.174 2.771 3.621 . 0 0 "[ . 1]" 1
1595 2 50 ILE HA 2 54 PHE QD 4.200 . 6.000 4.721 3.926 5.661 . 0 0 "[ . 1]" 1
1596 2 48 ASP HA 2 49 ASP H 2.700 . 3.600 3.538 3.495 3.563 . 0 0 "[ . 1]" 1
1597 2 50 ILE H 2 50 ILE HG12 2.700 . 3.600 2.551 1.938 3.685 0.085 4 0 "[ . 1]" 1
1598 2 31 VAL HA 2 32 LEU H 2.400 . 3.100 2.398 2.160 3.394 0.294 5 0 "[ . 1]" 1
1599 1 70 TYR HA 1 71 GLU H 3.200 . 4.500 2.998 2.913 3.051 . 0 0 "[ . 1]" 1
1600 1 18 PHE QE 1 48 TRP H 3.900 . 5.800 3.177 2.966 3.424 . 0 0 "[ . 1]" 1
1601 1 2 LYS H 1 2 LYS HA 2.600 . 3.400 2.565 2.190 2.628 . 0 0 "[ . 1]" 1
1602 1 24 GLU HB3 1 25 GLU H 2.700 . 3.600 2.659 2.458 2.824 . 0 0 "[ . 1]" 1
1603 1 40 PHE HA 1 43 LYS H 2.500 . 3.300 2.681 2.625 2.705 . 0 0 "[ . 1]" 1
1604 1 24 GLU HB2 1 25 GLU H 2.500 . 3.300 2.618 2.410 3.348 0.048 10 0 "[ . 1]" 1
1605 1 13 SER HB2 1 14 SER H 3.000 . 4.100 2.734 1.964 3.179 . 0 0 "[ . 1]" 1
1606 1 13 SER HB2 1 15 TYR H 3.300 . 4.700 2.710 2.434 3.263 . 0 0 "[ . 1]" 1
1607 1 67 LYS H 1 67 LYS QG 3.400 . 4.800 3.737 3.660 3.822 . 0 0 "[ . 1]" 1
1608 1 60 GLU H 1 60 GLU HB3 2.500 . 3.300 2.453 2.289 2.615 . 0 0 "[ . 1]" 1
1609 1 39 GLU H 1 41 SER H 3.700 . 5.400 3.916 3.622 4.081 . 0 0 "[ . 1]" 1
1610 1 24 GLU HB2 1 28 LYS H 3.000 . 6.000 5.045 4.938 5.229 . 0 0 "[ . 1]" 1
1611 1 4 ASP HA 1 6 LYS H 3.300 . 4.700 2.748 2.708 2.775 . 0 0 "[ . 1]" 1
1612 1 22 CYS HA 1 23 ARG H 3.500 . 5.000 2.817 2.193 3.201 . 0 0 "[ . 1]" 1
1613 1 14 SER QB 1 63 ALA H 3.600 . 5.200 4.485 4.120 4.860 . 0 0 "[ . 1]" 1
1614 1 46 GLU QB 1 47 ARG H 2.400 . 3.100 2.226 2.143 2.321 . 0 0 "[ . 1]" 1
1615 1 55 GLU HA 1 56 LYS H 2.800 . 3.800 2.700 2.680 2.734 . 0 0 "[ . 1]" 1
1616 1 18 PHE HB2 1 19 VAL H 4.100 . 6.000 3.601 3.511 3.744 . 0 0 "[ . 1]" 1
1617 1 46 GLU H 1 49 LYS H 3.700 . 5.400 3.961 3.837 4.081 . 0 0 "[ . 1]" 1
1618 1 53 ALA MB 1 55 GLU H 3.600 . 5.200 3.544 2.003 4.122 . 0 0 "[ . 1]" 1
1619 1 42 LYS HB3 1 43 LYS H 2.400 . 3.100 2.298 2.139 2.713 . 0 0 "[ . 1]" 1
1620 1 46 GLU H 1 46 GLU HG2 2.900 . 3.900 2.518 2.275 3.012 . 0 0 "[ . 1]" 1
1621 1 61 ASP HA 1 64 LYS H 3.000 . 4.100 3.101 3.015 3.180 . 0 0 "[ . 1]" 1
1622 1 75 LYS H 1 76 THR H 2.200 . 2.800 2.110 1.936 2.298 . 0 0 "[ . 1]" 1
1623 1 27 LYS QG 1 28 LYS H 2.900 . 4.000 2.807 2.218 3.947 . 0 0 "[ . 1]" 1
1624 1 74 MET HA 1 75 LYS H 3.200 . 4.500 3.428 3.351 3.474 . 0 0 "[ . 1]" 1
1625 1 28 LYS H 1 28 LYS QE 4.000 . 6.000 4.126 3.581 4.719 . 0 0 "[ . 1]" 1
1626 1 21 THR MG 1 24 GLU H 3.600 . 5.200 4.781 4.371 5.056 . 0 0 "[ . 1]" 1
1627 1 38 SER H 1 39 GLU H 2.600 . 3.400 2.414 2.283 2.532 . 0 0 "[ . 1]" 1
1628 1 71 GLU HB3 1 72 ARG H 2.100 . 2.700 2.386 2.122 2.559 . 0 0 "[ . 1]" 1
1629 1 19 VAL QG 1 20 GLN H 3.300 . 4.600 2.606 2.217 2.734 . 0 0 "[ . 1]" 1
1630 1 48 TRP HA 1 49 LYS H 3.400 . 4.900 3.493 3.483 3.514 . 0 0 "[ . 1]" 1
1631 1 64 LYS H 1 64 LYS HA 2.700 . 3.600 2.721 2.700 2.742 . 0 0 "[ . 1]" 1
1632 1 48 TRP HA 1 51 MET H 2.800 . 3.800 2.972 2.893 3.094 . 0 0 "[ . 1]" 1
1633 1 40 PHE H 1 43 LYS H 3.800 . 5.600 4.227 4.005 4.488 . 0 0 "[ . 1]" 1
1634 1 44 CYS HA 1 47 ARG H 2.700 . 3.600 2.592 2.537 2.641 . 0 0 "[ . 1]" 1
1635 1 47 ARG HA 1 50 THR H 3.400 . 4.800 3.530 3.358 3.731 . 0 0 "[ . 1]" 1
1636 1 8 PRO QG 1 9 ARG H 3.400 . 4.900 3.672 2.984 3.995 . 0 0 "[ . 1]" 1
1637 1 13 SER HB2 1 16 ALA H 3.700 . 5.400 3.442 2.501 4.558 . 0 0 "[ . 1]" 1
1638 1 25 GLU H 1 27 LYS QB 3.900 . 5.800 4.498 4.228 4.810 . 0 0 "[ . 1]" 1
1639 1 40 PHE H 1 40 PHE HB2 2.700 . 3.600 2.170 2.053 2.287 . 0 0 "[ . 1]" 1
1640 1 6 LYS H 1 7 LYS H 2.400 . 3.100 2.171 2.061 2.292 . 0 0 "[ . 1]" 1
1641 1 19 VAL HB 1 45 SER H 2.900 . 6.000 4.995 4.601 5.216 . 0 0 "[ . 1]" 1
1642 1 63 ALA MB 1 64 LYS H 2.600 . 3.400 2.292 1.874 2.556 . 0 0 "[ . 1]" 1
1643 1 44 CYS H 1 45 SER H 2.600 . 3.500 2.360 2.224 2.460 . 0 0 "[ . 1]" 1
1644 1 30 HIS HB2 1 33 ALA H 3.300 . 4.600 3.425 2.891 3.720 . 0 0 "[ . 1]" 1
1645 1 57 GLY HA3 1 58 LYS H 2.500 . 3.300 2.529 2.489 2.557 . 0 0 "[ . 1]" 1
1646 1 44 CYS HA 1 48 TRP H 3.700 . 5.400 3.564 3.457 3.702 . 0 0 "[ . 1]" 1
1647 1 74 MET H 1 74 MET ME 2.800 . 3.800 2.957 2.355 3.541 . 0 0 "[ . 1]" 1
1648 1 12 MET HB2 1 20 GLN HE22 4.100 . 6.000 4.935 3.481 6.262 0.262 8 0 "[ . 1]" 1
1649 1 11 LYS QB 1 12 MET H 2.700 . 3.600 2.576 2.314 2.955 . 0 0 "[ . 1]" 1
1650 1 63 ALA H 1 64 LYS H 2.500 . 3.300 2.322 2.236 2.394 . 0 0 "[ . 1]" 1
1651 1 24 GLU HG3 1 25 GLU H 3.500 . 5.100 3.819 2.431 4.220 . 0 0 "[ . 1]" 1
1652 1 46 GLU HA 1 49 LYS H 2.600 . 3.400 2.692 2.544 2.742 . 0 0 "[ . 1]" 1
1653 1 14 SER HB2 1 18 PHE H 3.400 . 4.900 3.379 3.337 3.423 . 0 0 "[ . 1]" 1
1654 1 60 GLU HA 1 63 ALA H 2.800 . 3.800 2.678 2.602 2.736 . 0 0 "[ . 1]" 1
1655 1 55 GLU H 1 57 GLY H 3.700 . 5.400 3.814 3.675 4.040 . 0 0 "[ . 1]" 1
1656 1 45 SER QB 1 46 GLU H 2.400 . 3.100 2.261 2.088 2.436 . 0 0 "[ . 1]" 1
1657 1 60 GLU H 1 60 GLU QG 3.700 . 5.400 3.832 3.787 3.895 . 0 0 "[ . 1]" 1
1658 1 13 SER H 1 16 ALA MB 3.000 . 4.100 3.038 2.546 3.383 . 0 0 "[ . 1]" 1
1659 1 47 ARG HG3 1 48 TRP H 4.000 . 6.000 4.258 4.158 4.380 . 0 0 "[ . 1]" 1
1660 1 20 GLN HG3 1 23 ARG H 4.400 . 6.000 4.405 4.167 4.516 . 0 0 "[ . 1]" 1
1661 1 42 LYS HG2 1 43 LYS H 3.100 . 4.300 2.844 1.899 3.215 0.001 1 0 "[ . 1]" 1
1662 1 80 PRO QG 1 81 LYS H 2.600 . 6.000 4.578 4.123 4.890 . 0 0 "[ . 1]" 1
1663 1 74 MET ME 1 77 TYR H 3.600 . 5.200 4.110 3.639 4.817 . 0 0 "[ . 1]" 1
1664 1 52 SER HB3 1 55 GLU H 2.600 . 3.400 2.677 2.562 2.735 . 0 0 "[ . 1]" 1
1665 1 39 GLU HA 1 40 PHE H 2.900 . 4.000 2.622 2.599 2.667 . 0 0 "[ . 1]" 1
1666 1 28 LYS HA 1 29 LYS H 2.600 . 3.400 2.758 2.710 2.792 . 0 0 "[ . 1]" 1
1667 1 48 TRP HE1 1 49 LYS QB 4.300 . 6.000 3.945 2.867 4.622 . 0 0 "[ . 1]" 1
1668 1 46 GLU HB3 1 47 ARG H 2.600 . 3.500 2.231 2.183 2.349 . 0 0 "[ . 1]" 1
1669 1 60 GLU H 1 60 GLU HA 1.900 . 2.400 2.151 2.083 2.294 . 0 0 "[ . 1]" 1
1670 1 45 SER H 1 46 GLU HB2 3.900 . 5.800 4.558 4.217 4.775 . 0 0 "[ . 1]" 1
1671 1 12 MET ME 1 13 SER H 4.100 . 6.000 3.726 3.377 4.187 . 0 0 "[ . 1]" 1
1672 1 21 THR HA 1 22 CYS H 2.900 . 3.900 2.750 2.729 2.779 . 0 0 "[ . 1]" 1
1673 1 53 ALA MB 1 54 LYS H 3.200 . 4.500 2.377 1.992 2.672 . 0 0 "[ . 1]" 1
1674 1 23 ARG HB2 1 24 GLU H 3.300 . 4.600 3.804 3.376 4.274 . 0 0 "[ . 1]" 1
1675 1 68 ALA MB 1 69 ARG H 2.700 . 3.600 2.544 2.320 2.771 . 0 0 "[ . 1]" 1
1676 1 52 SER HB3 1 53 ALA H 3.500 . 5.000 3.060 2.214 3.676 . 0 0 "[ . 1]" 1
1677 1 18 PHE H 1 19 VAL H 2.800 . 3.800 2.409 2.349 2.467 . 0 0 "[ . 1]" 1
1678 1 72 ARG QB 1 73 GLU H 2.600 . 3.500 2.526 2.085 2.784 . 0 0 "[ . 1]" 1
1679 1 24 GLU HA 1 25 GLU H 2.700 . 3.600 2.701 2.668 2.734 . 0 0 "[ . 1]" 1
1680 1 6 LYS H 1 6 LYS QE 4.200 . 6.000 4.528 2.898 5.304 . 0 0 "[ . 1]" 1
1681 1 35 VAL HA 1 36 ASN HD21 3.700 . 5.400 4.345 3.416 5.592 0.192 9 0 "[ . 1]" 1
1682 1 64 LYS H 1 64 LYS QB 2.400 . 3.100 2.423 2.224 2.566 . 0 0 "[ . 1]" 1
1683 1 21 THR H 1 22 CYS H 2.600 . 3.500 2.321 2.241 2.436 . 0 0 "[ . 1]" 1
1684 1 26 HIS HE1 1 34 SER H 4.400 . 6.000 3.985 3.585 4.533 . 0 0 "[ . 1]" 1
1685 1 59 PHE HA 1 62 MET H 3.000 . 4.200 3.052 2.992 3.093 . 0 0 "[ . 1]" 1
1686 1 67 LYS HA 1 68 ALA H 3.400 . 4.900 3.500 3.487 3.507 . 0 0 "[ . 1]" 1
1687 1 35 VAL HA 1 36 ASN HD22 3.500 . 6.000 5.015 4.412 5.923 . 0 0 "[ . 1]" 1
1688 1 39 GLU HA 1 40 PHE H 2.500 . 3.300 2.717 2.699 2.745 . 0 0 "[ . 1]" 1
1689 1 2 LYS H 1 2 LYS QB 2.300 . 3.000 2.304 2.118 2.542 . 0 0 "[ . 1]" 1
1690 1 36 ASN HB3 1 40 PHE H 2.700 . 3.600 2.627 2.441 2.752 . 0 0 "[ . 1]" 1
1691 1 27 LYS HA 1 30 HIS H 2.700 . 3.600 3.005 2.820 3.187 . 0 0 "[ . 1]" 1
1692 1 65 ALA HA 1 67 LYS H 3.800 . 5.600 4.181 3.994 4.333 . 0 0 "[ . 1]" 1
1693 1 64 LYS H 1 64 LYS HG3 2.800 . 3.800 2.748 2.127 3.532 . 0 0 "[ . 1]" 1
1694 1 37 PHE HA 1 41 SER H 2.900 . 3.900 3.223 3.099 3.376 . 0 0 "[ . 1]" 1
1695 1 40 PHE H 1 41 SER HA 4.200 . 6.000 4.204 4.062 4.292 . 0 0 "[ . 1]" 1
1696 1 13 SER H 1 13 SER HB2 3.200 . 4.500 2.532 2.423 3.018 . 0 0 "[ . 1]" 1
1697 1 61 ASP HB2 1 62 MET H 3.000 . 4.100 2.945 2.239 3.274 . 0 0 "[ . 1]" 1
1698 1 47 ARG H 1 47 ARG HD3 4.100 . 6.000 4.151 4.068 4.278 . 0 0 "[ . 1]" 1
1699 1 43 LYS HA 1 44 CYS H 2.700 . 3.600 2.720 2.697 2.758 . 0 0 "[ . 1]" 1
1700 1 39 GLU HG3 1 40 PHE H 3.100 . 4.300 2.590 2.207 2.740 . 0 0 "[ . 1]" 1
1701 1 31 PRO HA 1 32 ASP H 2.700 . 3.600 3.388 3.317 3.470 . 0 0 "[ . 1]" 1
1702 1 45 SER H 1 46 GLU H 2.900 . 4.000 2.729 2.642 2.830 . 0 0 "[ . 1]" 1
1703 1 60 GLU H 1 60 GLU HG2 3.900 . 5.800 4.177 4.068 4.293 . 0 0 "[ . 1]" 1
1704 1 56 LYS HA 1 60 GLU H 3.300 . 4.700 2.804 2.639 2.947 . 0 0 "[ . 1]" 1
1705 1 51 MET ME 1 56 LYS H 3.200 . 4.400 3.044 2.689 3.435 . 0 0 "[ . 1]" 1
1706 1 2 LYS H 1 2 LYS HD3 3.700 . 5.400 3.470 2.081 4.247 . 0 0 "[ . 1]" 1
1707 1 52 SER HB3 1 54 LYS H 3.100 . 4.300 2.657 2.513 2.806 . 0 0 "[ . 1]" 1
1708 1 27 LYS HA 1 28 LYS H 2.400 . 3.100 2.712 2.665 2.736 . 0 0 "[ . 1]" 1
1709 1 58 LYS H 1 58 LYS QE 4.800 . 6.000 4.220 3.717 5.018 . 0 0 "[ . 1]" 1
1710 1 27 LYS QB 1 28 LYS H 2.200 . 2.800 2.267 2.067 2.428 . 0 0 "[ . 1]" 1
1711 1 30 HIS HB3 1 33 ALA H 3.200 . 4.500 2.824 2.115 3.279 . 0 0 "[ . 1]" 1
1712 1 49 LYS HG2 1 50 THR H 3.900 . 5.800 4.488 4.122 4.806 . 0 0 "[ . 1]" 1
1713 1 25 GLU H 1 28 LYS H 3.700 . 5.400 3.843 3.649 4.010 . 0 0 "[ . 1]" 1
1714 1 67 LYS QG 1 71 GLU H 3.000 . 4.100 3.991 3.637 4.245 0.145 6 0 "[ . 1]" 1
1715 1 12 MET HB2 1 13 SER H 3.800 . 5.600 3.341 2.590 3.720 . 0 0 "[ . 1]" 1
1716 1 48 TRP HE1 1 49 LYS HA 4.200 . 6.000 4.377 3.978 4.833 . 0 0 "[ . 1]" 1
1717 1 71 GLU H 1 72 ARG H 2.400 . 3.100 2.392 2.280 2.542 . 0 0 "[ . 1]" 1
1718 1 56 LYS HA 1 59 PHE H 3.200 . 4.500 2.370 2.299 2.418 . 0 0 "[ . 1]" 1
1719 1 39 GLU HA 1 42 LYS H 2.600 . 3.400 2.733 2.676 2.776 . 0 0 "[ . 1]" 1
1720 1 25 GLU H 1 27 LYS HG2 3.900 . 5.800 4.467 3.757 5.336 . 0 0 "[ . 1]" 1
1721 1 67 LYS QD 1 69 ARG H 3.600 . 5.200 4.840 4.305 5.639 0.439 2 0 "[ . 1]" 1
1722 1 57 GLY H 1 60 GLU H 3.600 . 5.200 3.738 3.626 3.825 . 0 0 "[ . 1]" 1
1723 1 17 PHE HA 1 21 THR H 2.800 . 3.800 2.726 2.681 2.792 . 0 0 "[ . 1]" 1
1724 1 60 GLU HA 1 61 ASP H 2.700 . 3.600 2.713 2.691 2.731 . 0 0 "[ . 1]" 1
1725 1 51 MET ME 1 55 GLU H 3.300 . 4.700 4.209 3.894 4.642 . 0 0 "[ . 1]" 1
1726 1 33 ALA HA 1 34 SER H 2.400 . 3.100 2.147 2.069 2.311 . 0 0 "[ . 1]" 1
1727 1 15 TYR H 1 17 PHE H 3.200 . 4.500 2.501 2.412 2.553 . 0 0 "[ . 1]" 1
1728 1 72 ARG H 1 72 ARG HG3 3.100 . 4.300 3.198 1.995 4.172 . 0 0 "[ . 1]" 1
1729 1 42 LYS H 1 42 LYS HG3 3.900 . 5.800 3.662 2.307 4.237 . 0 0 "[ . 1]" 1
1730 1 2 LYS H 1 2 LYS QG 2.700 . 3.600 2.656 2.289 3.223 . 0 0 "[ . 1]" 1
1731 1 53 ALA HA 1 56 LYS H 3.400 . 4.900 3.258 3.061 3.419 . 0 0 "[ . 1]" 1
1732 1 8 PRO QG 1 10 GLY H 3.700 . 5.400 3.904 2.973 4.468 . 0 0 "[ . 1]" 1
1733 1 9 ARG HB3 1 9 ARG HD2 2.300 . 3.000 1.995 1.923 2.085 . 0 0 "[ . 1]" 1
1734 1 27 LYS H 1 33 ALA MB 2.800 . 6.000 4.302 3.361 4.821 . 0 0 "[ . 1]" 1
1735 1 25 GLU H 1 25 GLU HB3 2.400 . 3.100 2.375 2.181 3.195 0.095 10 0 "[ . 1]" 1
1736 1 67 LYS HA 1 68 ALA MB 3.500 . 5.000 3.770 3.669 3.841 . 0 0 "[ . 1]" 1
1737 1 7 LYS HB3 1 77 TYR QD 3.000 . 4.100 3.806 2.920 4.136 0.036 7 0 "[ . 1]" 1
1738 1 79 PRO HB3 1 79 PRO HG3 1.800 . 2.200 2.000 1.971 2.025 . 0 0 "[ . 1]" 1
1739 1 61 ASP HB2 1 62 MET HB2 4.300 . 6.000 4.220 3.284 4.732 . 0 0 "[ . 1]" 1
1740 1 35 VAL QG 1 37 PHE QD 3.600 . 5.200 2.413 2.216 2.730 . 0 0 "[ . 1]" 1
1741 1 64 LYS H 1 65 ALA MB 3.900 . 5.800 3.893 3.824 3.939 . 0 0 "[ . 1]" 1
1742 1 14 SER HA 1 63 ALA MB 2.900 . 4.000 2.601 2.164 3.304 . 0 0 "[ . 1]" 1
1743 1 57 GLY H 1 57 GLY HA3 2.700 . 3.600 2.208 2.195 2.217 . 0 0 "[ . 1]" 1
1744 1 61 ASP HA 1 64 LYS QB 2.400 . 3.100 2.565 2.263 2.832 . 0 0 "[ . 1]" 1
1745 1 42 LYS HG3 1 43 LYS H 2.500 . 3.300 2.145 1.746 3.075 . 0 0 "[ . 1]" 1
1746 1 9 ARG HD2 1 12 MET ME 3.200 . 4.500 3.732 2.632 4.683 0.183 7 0 "[ . 1]" 1
1747 1 17 PHE H 1 17 PHE HA 2.900 . 3.900 2.727 2.635 2.796 . 0 0 "[ . 1]" 1
1748 1 18 PHE H 1 19 VAL HB 3.200 . 4.400 2.679 2.429 3.497 . 0 0 "[ . 1]" 1
1749 1 19 VAL HB 1 20 GLN HA 3.200 . 4.500 2.797 2.379 3.493 . 0 0 "[ . 1]" 1
1750 1 15 TYR QE 1 44 CYS HA 3.900 . 5.800 3.690 3.233 4.130 . 0 0 "[ . 1]" 1
1751 1 11 LYS HA 1 66 ASP HB3 3.700 . 5.400 4.052 3.064 4.674 . 0 0 "[ . 1]" 1
1752 1 40 PHE H 1 40 PHE HA 2.700 . 3.600 2.719 2.696 2.751 . 0 0 "[ . 1]" 1
1753 1 48 TRP HB2 1 51 MET ME 3.400 . 4.900 3.630 3.012 4.654 . 0 0 "[ . 1]" 1
1754 1 21 THR HA 1 22 CYS HB2 4.100 . 6.000 5.225 4.728 5.482 . 0 0 "[ . 1]" 1
1755 1 19 VAL QG 1 42 LYS H 4.200 . 6.000 5.276 5.150 5.482 . 0 0 "[ . 1]" 1
1756 1 35 VAL QG 1 36 ASN HB2 3.300 . 4.600 2.906 2.714 3.186 . 0 0 "[ . 1]" 1
1757 1 19 VAL HB 1 40 PHE HZ 4.200 . 6.000 4.279 3.568 5.019 . 0 0 "[ . 1]" 1
1758 1 47 ARG HA 1 47 ARG HG3 2.200 . 2.800 2.221 2.130 2.373 . 0 0 "[ . 1]" 1
1759 1 66 ASP HB3 1 69 ARG HB3 4.000 . 6.000 4.470 3.491 5.936 . 0 0 "[ . 1]" 1
1760 1 52 SER HB3 1 56 LYS QE 3.000 . 6.000 4.451 4.349 4.656 . 0 0 "[ . 1]" 1
1761 1 51 MET ME 1 56 LYS HG2 2.800 . 3.800 2.254 2.145 2.379 . 0 0 "[ . 1]" 1
1762 1 20 GLN QG 1 21 THR MG 4.300 . 6.000 4.506 4.328 4.732 . 0 0 "[ . 1]" 1
1763 1 51 MET ME 1 55 GLU QG 3.200 . 4.400 3.466 3.046 3.969 . 0 0 "[ . 1]" 1
1764 1 18 PHE QE 1 48 TRP HA 3.700 . 5.400 3.632 3.472 3.800 . 0 0 "[ . 1]" 1
1765 1 18 PHE QD 1 59 PHE QD 3.800 . 5.600 2.419 1.984 2.929 0.016 2 0 "[ . 1]" 1
1766 1 22 CYS HA 1 23 ARG HB3 3.300 . 4.600 4.147 3.765 4.337 . 0 0 "[ . 1]" 1
1767 1 26 HIS HD2 1 27 LYS HA 3.900 . 5.800 5.363 4.040 5.885 0.085 7 0 "[ . 1]" 1
1768 1 24 GLU HG3 1 27 LYS QB 2.900 . 4.000 3.285 2.898 3.622 . 0 0 "[ . 1]" 1
1769 1 61 ASP H 1 62 MET ME 2.900 . 6.000 4.898 4.662 5.065 . 0 0 "[ . 1]" 1
1770 1 23 ARG HA 1 24 GLU H 3.400 . 4.800 3.232 3.157 3.356 . 0 0 "[ . 1]" 1
1771 1 7 LYS HA 1 7 LYS HB2 3.100 . 4.300 2.761 2.422 2.933 . 0 0 "[ . 1]" 1
1772 1 11 LYS HA 1 11 LYS HE2 3.500 . 5.000 3.579 2.564 4.207 . 0 0 "[ . 1]" 1
1773 1 24 GLU HG2 1 27 LYS QG 2.900 . 3.900 3.049 2.137 4.268 0.368 2 0 "[ . 1]" 1
1774 1 11 LYS HG3 1 66 ASP QB 4.000 . 6.000 4.717 2.367 5.881 . 0 0 "[ . 1]" 1
1775 1 7 LYS QE 1 7 LYS HG2 2.700 . 3.600 2.643 2.244 3.318 . 0 0 "[ . 1]" 1
1776 1 48 TRP HE3 1 49 LYS H 4.700 . 6.000 4.319 3.699 5.074 . 0 0 "[ . 1]" 1
1777 1 27 LYS HA 1 28 LYS H 2.500 . 3.300 2.630 2.591 2.651 . 0 0 "[ . 1]" 1
1778 1 63 ALA MB 1 64 LYS HE3 4.000 . 6.000 4.786 4.410 5.456 . 0 0 "[ . 1]" 1
1779 1 46 GLU HA 1 49 LYS HG2 2.100 . 2.700 2.185 1.954 2.352 . 0 0 "[ . 1]" 1
1780 1 37 PHE QE 2 44 MET HB2 3.900 . 5.800 3.991 2.819 5.773 . 0 0 "[ . 1]" 1
1781 1 21 THR HA 1 23 ARG HB2 4.200 . 6.000 5.548 5.194 6.025 0.025 1 0 "[ . 1]" 1
1782 1 51 MET ME 1 56 LYS HG3 3.200 . 4.500 2.526 2.220 2.872 . 0 0 "[ . 1]" 1
1783 1 12 MET ME 1 13 SER H 3.200 . 4.500 3.239 2.985 3.664 . 0 0 "[ . 1]" 1
1784 1 12 MET ME 1 12 MET HG3 2.400 . 3.100 2.137 1.914 2.417 . 0 0 "[ . 1]" 1
1785 1 61 ASP HA 1 64 LYS HG2 3.500 . 5.000 3.268 1.824 5.043 0.176 10 0 "[ . 1]" 1
1786 1 17 PHE HA 1 20 GLN HG2 3.500 . 5.000 3.300 2.969 3.776 . 0 0 "[ . 1]" 1
1787 1 74 MET HA 1 74 MET QB 2.200 . 2.800 2.080 2.059 2.105 . 0 0 "[ . 1]" 1
1788 1 26 HIS HA 1 27 LYS H 3.300 . 4.700 3.289 3.189 3.416 . 0 0 "[ . 1]" 1
1789 1 7 LYS HB2 1 77 TYR HB3 3.100 . 4.300 3.747 3.219 4.226 . 0 0 "[ . 1]" 1
1790 1 50 THR HA 1 51 MET H 3.000 . 4.100 3.017 2.740 3.210 . 0 0 "[ . 1]" 1
1791 1 29 LYS HD2 1 29 LYS QE 1.900 . 2.400 2.049 1.990 2.120 . 0 0 "[ . 1]" 1
1792 1 36 ASN HD21 1 38 SER HA 3.000 . 6.000 5.176 3.826 5.723 . 0 0 "[ . 1]" 1
1793 1 48 TRP HZ2 1 48 TRP HZ3 3.900 . 5.800 2.499 1.989 3.248 0.011 2 0 "[ . 1]" 1
1794 1 52 SER HB2 1 53 ALA MB 4.200 . 6.000 4.361 2.450 5.233 . 0 0 "[ . 1]" 1
1795 1 17 PHE HA 1 20 GLN QB 3.000 . 4.100 2.113 1.875 2.445 0.025 5 0 "[ . 1]" 1
1796 1 19 VAL HB 1 40 PHE QE 3.800 . 5.600 3.376 2.373 4.339 . 0 0 "[ . 1]" 1
1797 1 5 PRO HA 1 5 PRO HB2 2.300 . 2.900 2.498 2.411 2.608 . 0 0 "[ . 1]" 1
1798 1 8 PRO HD3 1 74 MET HA 3.200 . 4.500 3.101 2.323 4.391 . 0 0 "[ . 1]" 1
1799 1 21 THR MG 1 58 LYS HG2 3.700 . 5.400 4.951 4.571 5.220 . 0 0 "[ . 1]" 1
1800 1 28 LYS HB3 1 28 LYS QE 3.200 . 4.400 2.475 1.953 3.168 0.047 6 0 "[ . 1]" 1
1801 1 27 LYS H 1 27 LYS HA 2.700 . 3.600 2.694 2.639 2.762 . 0 0 "[ . 1]" 1
1802 1 25 GLU H 1 27 LYS HD2 2.800 . 6.000 4.015 3.214 5.347 . 0 0 "[ . 1]" 1
1803 1 55 GLU HA 1 55 GLU HB2 2.600 . 3.400 2.965 2.945 2.973 . 0 0 "[ . 1]" 1
1804 1 17 PHE QD 1 17 PHE QE 3.200 . 4.500 2.073 1.930 2.147 . 0 0 "[ . 1]" 1
1805 1 37 PHE QD 1 38 SER HB2 4.100 . 6.000 4.426 3.435 5.605 . 0 0 "[ . 1]" 1
1806 1 70 TYR QE 1 71 GLU HB3 3.000 . 4.100 2.888 2.533 3.331 . 0 0 "[ . 1]" 1
1807 1 64 LYS HA 1 64 LYS QB 2.200 . 2.800 2.070 2.014 2.138 . 0 0 "[ . 1]" 1
1808 1 2 LYS HA 1 2 LYS HG2 2.700 . 3.600 2.425 2.269 2.878 . 0 0 "[ . 1]" 1
1809 1 22 CYS HB2 1 40 PHE QE 4.100 . 6.000 3.611 2.753 4.534 . 0 0 "[ . 1]" 1
1810 1 79 PRO HB3 1 79 PRO HD2 2.700 . 3.600 3.167 2.811 3.517 . 0 0 "[ . 1]" 1
1811 1 56 LYS HA 1 59 PHE QE 4.100 . 6.000 3.824 3.574 4.211 . 0 0 "[ . 1]" 1
1812 1 18 PHE HZ 1 19 VAL QG 3.100 . 4.300 3.940 3.416 4.216 . 0 0 "[ . 1]" 1
1813 1 20 GLN H 1 20 GLN QG 3.200 . 4.500 3.249 3.091 3.528 . 0 0 "[ . 1]" 1
1814 1 40 PHE H 1 40 PHE HB3 2.900 . 4.000 2.288 2.175 2.376 . 0 0 "[ . 1]" 1
1815 1 11 LYS HD3 1 67 LYS HE2 4.000 . 6.000 4.971 2.863 6.645 0.645 8 1 "[ . + 1]" 1
1816 1 7 LYS HA 1 7 LYS HB3 2.800 . 3.800 2.593 2.410 2.878 . 0 0 "[ . 1]" 1
1817 1 25 GLU HB2 1 28 LYS HG3 3.700 . 5.400 4.582 4.062 5.273 . 0 0 "[ . 1]" 1
1818 1 19 VAL HA 1 21 THR MG 4.300 . 6.000 3.678 2.961 4.052 . 0 0 "[ . 1]" 1
1819 1 8 PRO HB3 1 70 TYR QD 3.900 . 5.800 3.179 2.013 4.046 . 0 0 "[ . 1]" 1
1820 1 42 LYS HA 1 45 SER H 3.100 . 4.300 3.343 3.176 3.457 . 0 0 "[ . 1]" 1
1821 1 24 GLU HG2 1 25 GLU H 2.800 . 3.800 3.389 3.074 3.901 0.101 2 0 "[ . 1]" 1
1822 1 31 PRO HD2 1 31 PRO HG3 2.400 . 3.100 2.599 2.251 2.680 . 0 0 "[ . 1]" 1
1823 1 64 LYS QB 1 65 ALA HA 2.900 . 3.900 3.502 3.363 3.654 . 0 0 "[ . 1]" 1
1824 1 47 ARG HA 1 47 ARG HD3 3.900 . 5.800 4.410 3.980 4.543 . 0 0 "[ . 1]" 1
1825 1 16 ALA HA 1 17 PHE H 3.600 . 5.200 3.302 3.274 3.329 . 0 0 "[ . 1]" 1
1826 1 25 GLU HA 1 25 GLU HG2 2.300 . 3.000 2.427 2.125 2.691 . 0 0 "[ . 1]" 1
1827 1 8 PRO HB2 1 70 TYR QD 3.300 . 4.700 2.104 1.826 2.658 0.074 3 0 "[ . 1]" 1
1828 1 6 LYS QE 1 6 LYS HG3 2.000 . 2.500 2.148 1.965 2.433 . 0 0 "[ . 1]" 1
1829 1 24 GLU HA 1 24 GLU HB2 2.000 . 2.500 2.038 1.994 2.067 . 0 0 "[ . 1]" 1
1830 1 79 PRO HB2 1 80 PRO HD2 2.600 . 3.500 3.023 2.640 3.541 0.041 2 0 "[ . 1]" 1
1831 1 6 LYS HB2 1 6 LYS QG 1.900 . 2.300 1.890 1.852 1.947 . 0 0 "[ . 1]" 1
1832 1 6 LYS H 1 6 LYS QD 3.800 . 5.600 3.021 2.260 3.548 . 0 0 "[ . 1]" 1
1833 1 2 LYS HA 1 2 LYS QB 2.200 . 2.800 2.100 2.002 2.171 . 0 0 "[ . 1]" 1
1834 1 65 ALA MB 1 67 LYS H 3.900 . 5.800 3.925 3.771 4.116 . 0 0 "[ . 1]" 1
1835 1 27 LYS HA 1 27 LYS QB 2.100 . 2.600 2.292 2.218 2.372 . 0 0 "[ . 1]" 1
1836 1 7 LYS HB3 1 77 TYR QE 2.500 . 6.000 3.578 1.930 4.527 . 0 0 "[ . 1]" 1
1837 1 24 GLU HB2 1 27 LYS QG 3.200 . 4.500 4.244 3.346 4.615 0.115 5 0 "[ . 1]" 1
1838 1 38 SER HA 1 38 SER HB2 3.100 . 4.300 2.738 2.503 2.940 . 0 0 "[ . 1]" 1
1839 1 19 VAL QG 1 41 SER QB 3.300 . 4.700 3.387 3.026 3.740 . 0 0 "[ . 1]" 1
1840 1 57 GLY H 1 57 GLY HA2 3.300 . 4.700 2.707 2.695 2.724 . 0 0 "[ . 1]" 1
1841 1 24 GLU HG3 1 27 LYS QG 3.000 . 4.100 3.046 2.561 3.756 . 0 0 "[ . 1]" 1
1842 1 39 GLU HA 1 40 PHE H 3.100 . 4.300 2.918 2.885 3.002 . 0 0 "[ . 1]" 1
1843 1 18 PHE H 1 19 VAL HA 3.700 . 5.400 3.475 3.442 3.499 . 0 0 "[ . 1]" 1
1844 1 64 LYS HA 1 64 LYS HG3 2.800 . 3.800 3.141 2.722 3.555 . 0 0 "[ . 1]" 1
1845 1 46 GLU H 1 46 GLU HB2 2.400 . 3.100 2.307 2.256 2.358 . 0 0 "[ . 1]" 1
1846 1 16 ALA HA 1 19 VAL QG 3.100 . 4.300 2.555 1.927 2.908 . 0 0 "[ . 1]" 1
1847 1 79 PRO HD2 1 79 PRO HG3 2.100 . 2.700 2.161 2.114 2.188 . 0 0 "[ . 1]" 1
1848 1 24 GLU HA 1 28 LYS H 2.500 . 3.300 2.630 2.565 2.691 . 0 0 "[ . 1]" 1
1849 1 18 PHE HB2 1 21 THR MG 3.400 . 4.900 4.439 4.038 4.912 0.012 7 0 "[ . 1]" 1
1850 1 48 TRP HZ3 1 51 MET ME 3.600 . 5.200 2.820 2.487 3.223 . 0 0 "[ . 1]" 1
1851 1 65 ALA HA 1 67 LYS HA 3.500 . 5.000 4.193 4.140 4.218 . 0 0 "[ . 1]" 1
1852 1 24 GLU HA 1 27 LYS HD2 2.400 . 3.100 2.247 1.717 3.094 . 0 0 "[ . 1]" 1
1853 1 12 MET HB2 1 17 PHE HZ 3.400 . 4.800 4.489 4.149 4.854 0.054 6 0 "[ . 1]" 1
1854 1 6 LYS H 1 6 LYS HB3 2.900 . 3.900 2.478 2.225 2.798 . 0 0 "[ . 1]" 1
1855 1 24 GLU HA 1 27 LYS HB3 2.000 . 2.500 1.982 1.848 2.108 . 0 0 "[ . 1]" 1
1856 1 74 MET H 1 74 MET QG 3.200 . 4.500 3.113 2.404 3.842 . 0 0 "[ . 1]" 1
1857 1 8 PRO HB2 1 8 PRO HD2 3.200 . 4.500 2.829 2.589 3.602 . 0 0 "[ . 1]" 1
1858 1 26 HIS HE1 1 30 HIS HB3 3.900 . 5.800 2.878 2.118 3.365 . 0 0 "[ . 1]" 1
1859 1 74 MET H 1 74 MET QG 3.500 . 5.100 2.861 2.242 3.595 . 0 0 "[ . 1]" 1
1860 1 38 SER HA 1 38 SER HB3 3.300 . 4.700 2.370 2.329 2.410 . 0 0 "[ . 1]" 1
1861 1 49 LYS H 1 49 LYS HA 2.600 . 3.500 2.465 2.454 2.480 . 0 0 "[ . 1]" 1
1862 1 18 PHE HA 1 19 VAL HA 3.800 . 5.600 4.557 4.509 4.605 . 0 0 "[ . 1]" 1
1863 1 36 ASN HB3 1 39 GLU HB3 4.300 . 6.000 4.196 2.215 4.853 . 0 0 "[ . 1]" 1
1864 1 28 LYS H 1 28 LYS QD 2.900 . 4.000 3.246 2.714 3.571 . 0 0 "[ . 1]" 1
1865 1 49 LYS QB 1 49 LYS HG2 2.200 . 2.800 2.093 2.042 2.131 . 0 0 "[ . 1]" 1
1866 1 65 ALA MB 1 69 ARG HB2 2.800 . 3.800 3.460 3.200 3.791 . 0 0 "[ . 1]" 1
1867 1 24 GLU HG2 1 27 LYS QB 3.000 . 4.200 3.794 3.232 4.603 0.403 2 0 "[ . 1]" 1
1868 1 74 MET QG 1 77 TYR QD 3.700 . 5.500 4.656 2.086 5.293 . 0 0 "[ . 1]" 1
1869 1 62 MET HA 1 63 ALA H 3.100 . 4.300 3.137 3.128 3.149 . 0 0 "[ . 1]" 1
1870 1 39 GLU HB2 1 40 PHE HB2 3.700 . 5.400 3.912 3.550 5.018 . 0 0 "[ . 1]" 1
1871 1 8 PRO HB3 1 9 ARG H 3.500 . 5.000 2.994 2.361 3.442 . 0 0 "[ . 1]" 1
1872 1 79 PRO HB3 1 80 PRO HD3 3.200 . 4.500 3.343 2.937 3.625 . 0 0 "[ . 1]" 1
1873 1 21 THR HA 1 21 THR MG 2.700 . 3.600 2.918 2.869 2.976 . 0 0 "[ . 1]" 1
1874 1 28 LYS HB2 1 29 LYS HA 2.900 . 6.000 4.296 3.997 5.225 . 0 0 "[ . 1]" 1
1875 1 18 PHE HZ 1 43 LYS QE 2.900 . 6.000 5.008 3.598 5.508 . 0 0 "[ . 1]" 1
1876 1 9 ARG HA 1 9 ARG HD2 4.000 . 6.000 4.224 3.375 4.952 . 0 0 "[ . 1]" 1
1877 1 23 ARG HA 1 23 ARG QD 2.700 . 3.600 2.561 2.327 2.841 . 0 0 "[ . 1]" 1
1878 1 15 TYR QE 1 18 PHE HZ 4.400 . 6.000 6.012 5.750 6.101 0.101 5 0 "[ . 1]" 1
1879 1 30 HIS HB2 1 31 PRO HA 4.100 . 6.000 5.044 4.895 5.288 . 0 0 "[ . 1]" 1
1880 1 5 PRO QD 1 6 LYS QD 4.000 . 6.000 4.100 2.208 5.088 . 0 0 "[ . 1]" 1
1881 1 71 GLU H 1 71 GLU HA 2.800 . 3.800 2.701 2.640 2.792 . 0 0 "[ . 1]" 1
1882 1 46 GLU H 1 46 GLU HB3 3.200 . 4.500 3.259 3.222 3.297 . 0 0 "[ . 1]" 1
1883 1 25 GLU HA 1 28 LYS HB3 2.200 . 2.800 2.220 2.027 2.285 . 0 0 "[ . 1]" 1
1884 1 19 VAL QG 1 21 THR MG 3.500 . 5.000 4.352 4.089 4.509 . 0 0 "[ . 1]" 1
1885 1 11 LYS HA 1 11 LYS HD3 3.200 . 4.500 3.218 2.063 3.661 . 0 0 "[ . 1]" 1
1886 1 5 PRO QD 1 5 PRO QG 2.000 . 2.500 1.827 1.819 1.837 . 0 0 "[ . 1]" 1
1887 1 18 PHE QE 1 47 ARG QB 4.100 . 6.000 3.106 2.792 3.499 . 0 0 "[ . 1]" 1
1888 1 24 GLU HA 1 24 GLU HG3 2.200 . 2.800 2.211 2.094 2.312 . 0 0 "[ . 1]" 1
1889 1 48 TRP HA 1 56 LYS QE 3.500 . 5.100 3.639 3.423 3.892 . 0 0 "[ . 1]" 1
1890 1 17 PHE HA 1 19 VAL QG 3.900 . 5.800 3.960 3.772 4.253 . 0 0 "[ . 1]" 1
1891 1 19 VAL QG 1 23 ARG QD 3.300 . 4.700 2.455 1.923 3.243 . 0 0 "[ . 1]" 1
1892 1 43 LYS H 1 43 LYS HA 2.500 . 3.300 2.396 2.324 2.434 . 0 0 "[ . 1]" 1
1893 1 23 ARG HA 1 23 ARG QD 3.200 . 4.500 2.636 2.399 3.489 . 0 0 "[ . 1]" 1
1894 1 18 PHE QD 1 19 VAL HB 3.600 . 5.200 2.794 2.629 3.099 . 0 0 "[ . 1]" 1
1895 1 40 PHE HA 1 40 PHE HB2 2.600 . 3.500 2.383 2.285 2.544 . 0 0 "[ . 1]" 1
1896 1 18 PHE HZ 1 19 VAL QG 3.700 . 5.400 3.591 3.172 3.914 . 0 0 "[ . 1]" 1
1897 1 28 LYS H 1 28 LYS QE 2.700 . 3.600 3.607 3.074 3.753 0.153 4 0 "[ . 1]" 1
1898 1 37 PHE HB2 2 50 ILE MD 4.200 . 6.000 4.462 4.040 4.703 . 0 0 "[ . 1]" 1
1899 1 21 THR H 1 21 THR HA 2.900 . 4.000 2.725 2.690 2.753 . 0 0 "[ . 1]" 1
1900 1 46 GLU H 1 46 GLU HG2 2.500 . 3.300 3.183 3.092 3.319 0.019 3 0 "[ . 1]" 1
1901 1 65 ALA H 1 65 ALA MB 2.200 . 2.800 2.117 2.059 2.165 . 0 0 "[ . 1]" 1
1902 1 25 GLU H 1 25 GLU HA 2.600 . 3.400 2.447 2.425 2.469 . 0 0 "[ . 1]" 1
1903 1 24 GLU HG2 1 28 LYS HG2 3.300 . 4.700 3.656 2.323 4.669 . 0 0 "[ . 1]" 1
1904 1 18 PHE QE 1 47 ARG HB3 3.700 . 5.400 3.278 2.821 3.627 . 0 0 "[ . 1]" 1
1905 1 5 PRO QG 1 6 LYS H 3.700 . 5.400 3.336 3.117 3.669 . 0 0 "[ . 1]" 1
1906 1 75 LYS H 1 76 THR MG 3.500 . 5.100 3.599 2.008 4.014 . 0 0 "[ . 1]" 1
1907 1 35 VAL QG 1 36 ASN HB3 3.000 . 4.100 3.104 2.580 3.578 . 0 0 "[ . 1]" 1
1908 1 71 GLU H 1 72 ARG HB2 2.900 . 3.900 2.529 2.084 2.798 . 0 0 "[ . 1]" 1
1909 1 55 GLU QG 1 56 LYS QD 4.900 . 6.000 5.822 5.531 6.214 0.214 7 0 "[ . 1]" 1
1910 1 12 MET ME 1 17 PHE QD 3.400 . 4.800 2.335 1.953 3.124 0.047 7 0 "[ . 1]" 1
1911 1 69 ARG HA 1 72 ARG HD3 3.600 . 5.200 2.862 1.976 4.123 0.024 8 0 "[ . 1]" 1
1912 1 25 GLU HA 1 27 LYS H 2.700 . 3.600 2.674 2.659 2.696 . 0 0 "[ . 1]" 1
1913 1 47 ARG HA 1 50 THR MG 3.700 . 5.400 3.759 2.728 4.032 . 0 0 "[ . 1]" 1
1914 1 19 VAL HB 1 20 GLN QG 3.700 . 5.400 4.270 3.632 5.025 . 0 0 "[ . 1]" 1
1915 1 18 PHE HA 1 62 MET ME 2.300 . 6.000 3.889 3.668 4.107 . 0 0 "[ . 1]" 1
1916 1 13 SER H 1 16 ALA MB 2.800 . 3.800 2.537 2.358 2.709 . 0 0 "[ . 1]" 1
1917 1 19 VAL QG 1 20 GLN QB 3.400 . 4.900 2.369 1.848 3.151 0.052 8 0 "[ . 1]" 1
1918 1 7 LYS HG3 1 77 TYR QD 4.000 . 6.000 4.546 3.804 5.182 . 0 0 "[ . 1]" 1
1919 1 20 GLN H 1 20 GLN HA 2.800 . 3.800 2.692 2.643 2.734 . 0 0 "[ . 1]" 1
1920 1 23 ARG HG2 1 24 GLU HB3 4.400 . 6.000 5.061 4.425 5.522 . 0 0 "[ . 1]" 1
1921 1 55 GLU H 1 55 GLU HB2 3.000 . 4.100 2.439 2.273 2.546 . 0 0 "[ . 1]" 1
1922 1 46 GLU H 1 46 GLU HG3 2.800 . 3.800 2.055 1.888 2.212 . 0 0 "[ . 1]" 1
1923 1 27 LYS HA 1 31 PRO HA 3.100 . 4.300 3.502 2.948 4.001 . 0 0 "[ . 1]" 1
1924 1 19 VAL HA 1 40 PHE QE 2.900 . 3.900 2.216 1.929 2.439 . 0 0 "[ . 1]" 1
1925 1 9 ARG QB 1 9 ARG HG2 2.300 . 2.900 2.180 1.968 2.383 . 0 0 "[ . 1]" 1
1926 1 37 PHE QD 2 45 LEU QD 3.300 . 6.000 4.625 3.706 5.493 . 0 0 "[ . 1]" 1
1927 1 56 LYS HA 1 56 LYS HB3 2.200 . 2.800 2.371 2.211 2.436 . 0 0 "[ . 1]" 1
1928 1 17 PHE HA 1 17 PHE QD 3.000 . 4.100 2.028 1.844 2.322 0.056 2 0 "[ . 1]" 1
1929 1 19 VAL QG 1 44 CYS HB3 3.900 . 4.100 2.159 1.803 2.825 0.197 1 0 "[ . 1]" 1
1930 1 24 GLU HA 1 27 LYS HG2 2.400 . 3.100 2.989 2.658 3.255 0.155 5 0 "[ . 1]" 1
1931 1 22 CYS HB3 1 40 PHE HZ 3.600 . 5.200 3.128 2.009 4.008 . 0 0 "[ . 1]" 1
1932 1 5 PRO QG 1 6 LYS H 3.300 . 4.700 3.647 3.352 4.162 . 0 0 "[ . 1]" 1
1933 1 19 VAL QG 1 22 CYS H 4.100 . 6.000 3.971 3.807 4.194 . 0 0 "[ . 1]" 1
1934 1 65 ALA HA 1 65 ALA MB 2.100 . 2.600 1.897 1.893 1.901 . 0 0 "[ . 1]" 1
1935 1 37 PHE QE 2 45 LEU QD 3.300 . 4.700 3.901 2.731 4.513 . 0 0 "[ . 1]" 1
1936 1 38 SER HB3 1 42 LYS HB3 3.900 . 5.800 4.772 4.442 5.396 . 0 0 "[ . 1]" 1
1937 1 50 THR HA 1 50 THR MG 2.200 . 2.800 2.091 2.009 2.289 . 0 0 "[ . 1]" 1
1938 1 26 HIS HB2 1 35 VAL QG 3.800 . 5.600 3.923 3.357 4.633 . 0 0 "[ . 1]" 1
1939 1 13 SER HB2 1 16 ALA MB 3.500 . 5.000 3.480 3.033 3.788 . 0 0 "[ . 1]" 1
1940 1 52 SER HB3 1 55 GLU QG 2.800 . 3.800 2.577 2.376 2.903 . 0 0 "[ . 1]" 1
1941 1 49 LYS QB 1 50 THR MG 2.700 . 3.600 2.576 2.313 2.771 . 0 0 "[ . 1]" 1
1942 1 76 THR HA 1 78 ILE MD 3.500 . 5.100 3.348 3.008 3.829 . 0 0 "[ . 1]" 1
1943 1 70 TYR QD 1 73 GLU HB2 3.400 . 4.900 3.349 2.552 4.099 . 0 0 "[ . 1]" 1
1944 1 79 PRO HB2 1 79 PRO HD2 2.600 . 3.500 2.952 2.845 3.431 . 0 0 "[ . 1]" 1
1945 1 25 GLU H 1 25 GLU HB2 2.600 . 3.500 2.455 2.255 2.637 . 0 0 "[ . 1]" 1
1946 1 14 SER HB2 1 48 TRP HH2 3.300 . 4.600 2.245 1.740 2.808 0.260 10 0 "[ . 1]" 1
1947 1 71 GLU HA 1 71 GLU HB3 2.900 . 4.000 2.460 2.335 2.554 . 0 0 "[ . 1]" 1
1948 1 25 GLU HA 1 26 HIS HA 3.600 . 5.200 4.140 4.097 4.207 . 0 0 "[ . 1]" 1
1949 1 48 TRP HZ2 1 56 LYS QE 3.100 . 6.000 4.320 3.697 4.710 . 0 0 "[ . 1]" 1
1950 1 19 VAL QG 1 23 ARG HA 4.400 . 6.000 4.490 4.100 4.892 . 0 0 "[ . 1]" 1
1951 1 65 ALA H 1 65 ALA HA 2.700 . 3.600 2.715 2.697 2.731 . 0 0 "[ . 1]" 1
1952 1 8 PRO HB3 1 9 ARG HD2 3.700 . 5.400 4.352 3.316 4.978 . 0 0 "[ . 1]" 1
1953 1 63 ALA H 1 64 LYS HG2 3.600 . 5.200 3.715 2.391 4.885 . 0 0 "[ . 1]" 1
1954 1 11 LYS H 1 11 LYS HE2 3.600 . 5.300 3.575 3.236 4.389 . 0 0 "[ . 1]" 1
1955 1 35 VAL QG 1 40 PHE H 3.600 . 5.200 3.973 3.692 4.311 . 0 0 "[ . 1]" 1
1956 1 16 ALA MB 1 19 VAL QG 3.500 . 5.000 3.491 3.131 3.921 . 0 0 "[ . 1]" 1
1957 1 62 MET HA 1 62 MET ME 3.000 . 4.100 2.926 2.202 3.727 . 0 0 "[ . 1]" 1
1958 1 60 GLU HB3 1 63 ALA MB 2.600 . 6.000 4.328 3.264 4.742 . 0 0 "[ . 1]" 1
1959 1 37 PHE HB2 1 37 PHE QD 2.600 . 3.400 2.180 2.097 2.260 . 0 0 "[ . 1]" 1
1960 1 26 HIS HE1 1 35 VAL QG 3.200 . 6.000 3.225 2.766 3.600 . 0 0 "[ . 1]" 1
1961 1 19 VAL QG 1 20 GLN HA 3.000 . 4.100 2.236 1.916 2.652 . 0 0 "[ . 1]" 1
1962 1 64 LYS QE 1 64 LYS HG2 2.600 . 3.400 2.402 2.106 2.970 . 0 0 "[ . 1]" 1
1963 1 25 GLU HB2 1 28 LYS QE 4.000 . 6.000 3.899 2.712 4.340 . 0 0 "[ . 1]" 1
1964 1 38 SER H 1 39 GLU HG2 4.100 . 6.000 3.680 2.357 4.350 . 0 0 "[ . 1]" 1
1965 1 5 PRO HA 1 5 PRO QG 2.900 . 4.000 2.809 2.664 3.004 . 0 0 "[ . 1]" 1
1966 1 15 TYR HA 1 15 TYR QE 4.100 . 6.000 3.813 3.501 3.996 . 0 0 "[ . 1]" 1
1967 1 11 LYS HE2 1 11 LYS HG2 2.300 . 3.000 2.188 1.921 2.333 . 0 0 "[ . 1]" 1
1968 1 23 ARG QD 1 24 GLU H 3.800 . 5.600 3.728 2.321 4.575 . 0 0 "[ . 1]" 1
1969 1 42 LYS QE 1 42 LYS HG3 2.300 . 2.900 2.118 1.896 2.520 . 0 0 "[ . 1]" 1
1970 1 35 VAL QG 1 36 ASN HB3 3.600 . 5.300 3.081 2.576 3.549 . 0 0 "[ . 1]" 1
1971 1 12 MET HB2 1 15 TYR QD 4.100 . 6.000 4.693 4.096 5.464 . 0 0 "[ . 1]" 1
1972 1 81 LYS H 1 81 LYS HA 2.700 . 3.600 2.108 1.945 2.232 . 0 0 "[ . 1]" 1
1973 1 24 GLU HA 1 24 GLU HG2 2.200 . 2.800 2.510 2.219 2.712 . 0 0 "[ . 1]" 1
1974 1 12 MET HB2 1 17 PHE HA 3.600 . 5.200 3.182 3.051 3.267 . 0 0 "[ . 1]" 1
1975 1 40 PHE H 1 40 PHE QD 3.500 . 5.000 3.461 3.072 3.601 . 0 0 "[ . 1]" 1
1976 1 17 PHE HZ 1 62 MET ME 2.800 . 6.000 5.878 5.131 6.221 0.221 2 0 "[ . 1]" 1
1977 1 36 ASN HB2 1 39 GLU HA 3.200 . 4.500 2.905 2.538 3.768 . 0 0 "[ . 1]" 1
1978 1 25 GLU HA 1 28 LYS QE 2.900 . 4.000 2.809 1.778 3.562 0.022 6 0 "[ . 1]" 1
1979 1 62 MET HA 1 62 MET HG3 2.700 . 3.600 2.766 2.715 2.889 . 0 0 "[ . 1]" 1
1980 1 19 VAL QG 1 20 GLN H 3.200 . 4.500 2.938 2.261 3.109 . 0 0 "[ . 1]" 1
1981 1 38 SER HA 1 40 PHE H 3.700 . 5.400 3.928 3.648 4.411 . 0 0 "[ . 1]" 1
1982 1 16 ALA MB 1 17 PHE HZ 4.000 . 6.000 5.541 5.335 5.730 . 0 0 "[ . 1]" 1
1983 1 18 PHE HA 1 19 VAL QG 3.600 . 5.200 2.831 2.559 3.279 . 0 0 "[ . 1]" 1
1984 1 44 CYS HA 1 47 ARG HD2 3.300 . 4.700 3.491 2.681 3.895 . 0 0 "[ . 1]" 1
1985 1 44 CYS HA 1 47 ARG HD3 3.300 . 4.600 3.526 2.650 4.422 . 0 0 "[ . 1]" 1
1986 1 31 PRO HD3 1 31 PRO HG2 2.000 . 2.500 2.099 2.089 2.135 . 0 0 "[ . 1]" 1
1987 1 25 GLU HG2 1 29 LYS QE 2.500 . 3.300 2.353 1.700 2.846 0.000 4 0 "[ . 1]" 1
1988 1 48 TRP HH2 1 51 MET ME 3.300 . 4.700 3.802 3.622 4.245 . 0 0 "[ . 1]" 1
1989 1 36 ASN HB2 1 36 ASN HD22 3.900 . 5.800 2.983 2.551 3.465 . 0 0 "[ . 1]" 1
1990 1 11 LYS HE3 1 11 LYS HG2 2.800 . 3.800 2.157 2.027 2.283 . 0 0 "[ . 1]" 1
1991 1 2 LYS HG2 1 7 LYS QE 2.300 . 6.000 5.125 4.569 5.691 . 0 0 "[ . 1]" 1
1992 1 24 GLU HG2 1 27 LYS QD 2.900 . 4.000 3.269 1.774 3.932 0.026 1 0 "[ . 1]" 1
1993 1 39 GLU HA 1 39 GLU HB3 2.300 . 3.000 2.156 2.092 2.196 . 0 0 "[ . 1]" 1
1994 1 64 LYS HA 1 64 LYS HG2 2.700 . 3.600 2.775 2.408 3.354 . 0 0 "[ . 1]" 1
1995 1 24 GLU H 1 24 GLU HG3 3.200 . 4.500 3.359 2.409 3.625 . 0 0 "[ . 1]" 1
1996 1 5 PRO HA 1 5 PRO HD3 2.000 . 2.500 1.976 1.796 2.369 . 0 0 "[ . 1]" 1
1997 1 73 GLU H 1 73 GLU HA 2.800 . 3.800 2.722 2.693 2.754 . 0 0 "[ . 1]" 1
1998 1 74 MET ME 1 77 TYR QD 2.600 . 3.500 2.451 1.946 2.767 . 0 0 "[ . 1]" 1
1999 1 17 PHE QE 1 21 THR H 3.500 . 5.000 4.697 4.272 5.024 0.024 6 0 "[ . 1]" 1
2000 1 24 GLU HB2 1 27 LYS QE 3.600 . 5.200 3.888 2.036 5.201 0.001 3 0 "[ . 1]" 1
2001 1 18 PHE HB2 1 19 VAL QG 3.600 . 5.200 2.219 1.908 2.573 0.092 2 0 "[ . 1]" 1
2002 1 27 LYS HA 1 30 HIS HD2 2.800 . 6.000 4.771 4.474 5.233 . 0 0 "[ . 1]" 1
2003 1 11 LYS HA 1 11 LYS HE3 4.100 . 6.000 3.757 2.448 4.285 . 0 0 "[ . 1]" 1
2004 1 15 TYR H 1 15 TYR HA 3.500 . 5.000 2.694 2.673 2.709 . 0 0 "[ . 1]" 1
2005 1 59 PHE HA 1 62 MET HB2 3.600 . 5.200 3.046 2.628 4.256 . 0 0 "[ . 1]" 1
2006 1 46 GLU HG2 1 50 THR MG 2.800 . 6.000 5.015 4.588 5.464 . 0 0 "[ . 1]" 1
2007 1 14 SER QB 1 48 TRP HZ2 4.000 . 6.000 3.392 2.623 3.903 . 0 0 "[ . 1]" 1
2008 1 18 PHE QD 1 48 TRP HA 4.200 . 6.000 4.311 4.009 4.626 . 0 0 "[ . 1]" 1
2009 1 20 GLN H 1 20 GLN QB 2.800 . 3.800 2.042 1.936 2.108 . 0 0 "[ . 1]" 1
2010 1 24 GLU HG3 1 28 LYS HG2 3.400 . 4.900 3.901 2.958 4.441 . 0 0 "[ . 1]" 1
2011 1 5 PRO QD 1 5 PRO QG 1.900 . 2.400 1.855 1.847 1.871 . 0 0 "[ . 1]" 1
2012 1 27 LYS QB 1 27 LYS QG 2.100 . 2.600 1.945 1.892 1.978 . 0 0 "[ . 1]" 1
2013 1 48 TRP HD1 1 49 LYS QB 3.700 . 5.400 4.079 3.852 4.360 . 0 0 "[ . 1]" 1
2014 1 23 ARG HA 1 23 ARG HB3 2.900 . 3.900 2.602 2.309 2.694 . 0 0 "[ . 1]" 1
2015 1 12 MET HB2 1 17 PHE QD 3.600 . 5.200 2.234 1.550 2.605 0.450 4 0 "[ . 1]" 1
2016 1 12 MET HA 1 16 ALA MB 3.100 . 4.300 2.669 2.468 2.816 . 0 0 "[ . 1]" 1
2017 1 73 GLU H 1 73 GLU QG 3.800 . 5.500 3.332 1.955 3.690 0.045 10 0 "[ . 1]" 1
2018 1 15 TYR QE 1 18 PHE HB3 4.100 . 6.000 3.931 3.296 4.915 . 0 0 "[ . 1]" 1
2019 1 15 TYR H 1 15 TYR QD 3.900 . 5.800 3.651 3.589 3.703 . 0 0 "[ . 1]" 1
2020 1 15 TYR H 1 15 TYR HB2 3.200 . 4.500 2.224 2.134 2.386 . 0 0 "[ . 1]" 1
2021 1 37 PHE HZ 2 45 LEU QD 3.300 . 6.000 4.870 2.239 5.462 . 0 0 "[ . 1]" 1
2022 1 16 ALA MB 1 20 GLN QG 4.000 . 6.000 4.796 4.520 5.084 . 0 0 "[ . 1]" 1
2023 1 28 LYS HB3 1 28 LYS HD2 2.000 . 2.500 1.834 1.795 1.887 . 0 0 "[ . 1]" 1
2024 1 19 VAL QG 1 40 PHE QD 2.800 . 3.800 1.820 1.715 1.974 0.085 5 0 "[ . 1]" 1
2025 1 74 MET ME 1 75 LYS H 3.800 . 5.600 4.087 3.593 4.838 . 0 0 "[ . 1]" 1
2026 1 27 LYS QB 1 27 LYS QE 2.800 . 3.800 2.202 1.704 3.124 0.096 6 0 "[ . 1]" 1
2027 1 11 LYS H 1 11 LYS HE3 4.100 . 6.000 3.626 3.227 4.278 . 0 0 "[ . 1]" 1
2028 1 7 LYS HB2 1 7 LYS QE 3.900 . 5.800 3.524 2.104 3.897 . 0 0 "[ . 1]" 1
2029 1 28 LYS HB3 1 28 LYS HG3 2.000 . 2.500 1.854 1.787 1.886 . 0 0 "[ . 1]" 1
2030 1 59 PHE HA 1 62 MET HB3 4.400 . 6.000 4.248 3.636 4.595 . 0 0 "[ . 1]" 1
2031 1 17 PHE HA 1 19 VAL HA 4.300 . 6.000 4.931 4.752 5.135 . 0 0 "[ . 1]" 1
2032 1 17 PHE H 1 62 MET ME 2.800 . 6.000 4.919 4.700 5.261 . 0 0 "[ . 1]" 1
2033 1 23 ARG HA 1 40 PHE QE 3.400 . 4.900 2.989 2.759 3.163 . 0 0 "[ . 1]" 1
2034 1 6 LYS QD 1 6 LYS QE 1.500 . 2.200 1.632 1.608 1.666 . 0 0 "[ . 1]" 1
2035 1 20 GLN HG2 1 21 THR HA 2.800 . 3.800 2.785 2.408 3.305 . 0 0 "[ . 1]" 1
2036 1 23 ARG HA 1 35 VAL QG 3.700 . 5.400 3.116 2.496 4.344 . 0 0 "[ . 1]" 1
2037 1 8 PRO HD3 1 74 MET ME 2.600 . 3.400 2.909 2.196 3.728 0.328 10 0 "[ . 1]" 1
2038 1 27 LYS QB 1 27 LYS QG 2.000 . 2.500 1.872 1.835 1.897 . 0 0 "[ . 1]" 1
2039 1 14 SER QB 1 63 ALA MB 2.700 . 3.600 3.138 2.748 3.621 0.021 2 0 "[ . 1]" 1
2040 1 65 ALA MB 1 67 LYS HB2 3.200 . 4.500 3.851 3.504 4.015 . 0 0 "[ . 1]" 1
2041 1 6 LYS HA 1 6 LYS HD3 2.500 . 3.300 1.972 1.788 2.176 . 0 0 "[ . 1]" 1
2042 1 27 LYS QB 1 35 VAL QG 3.000 . 6.000 4.486 3.725 5.687 . 0 0 "[ . 1]" 1
2043 1 11 LYS HD3 1 11 LYS HE2 1.800 . 2.200 1.983 1.926 2.052 . 0 0 "[ . 1]" 1
2044 1 15 TYR HA 1 15 TYR QE 4.500 . 6.000 3.849 3.534 4.157 . 0 0 "[ . 1]" 1
2045 1 20 GLN QG 1 21 THR MG 3.400 . 4.900 4.522 4.250 4.782 . 0 0 "[ . 1]" 1
2046 1 26 HIS HE1 1 30 HIS HB2 3.700 . 5.400 3.585 3.361 3.905 . 0 0 "[ . 1]" 1
2047 1 24 GLU HA 1 27 LYS QE 2.200 . 2.800 2.468 1.852 2.855 0.055 7 0 "[ . 1]" 1
2048 1 64 LYS HA 1 65 ALA MB 3.500 . 5.000 3.664 3.582 3.722 . 0 0 "[ . 1]" 1
2049 1 23 ARG HB3 1 24 GLU H 2.900 . 4.000 2.616 2.330 3.335 . 0 0 "[ . 1]" 1
2050 1 8 PRO HB3 1 70 TYR QE 4.200 . 6.000 4.145 3.246 4.746 . 0 0 "[ . 1]" 1
2051 1 37 PHE QE 2 47 PRO HB2 4.100 . 6.000 4.821 3.771 5.972 . 0 0 "[ . 1]" 1
2052 1 6 LYS HB2 1 7 LYS HA 3.800 . 5.600 4.560 4.326 4.908 . 0 0 "[ . 1]" 1
2053 1 27 LYS HB3 1 28 LYS H 2.100 . 2.700 2.054 1.957 2.138 . 0 0 "[ . 1]" 1
2054 1 40 PHE H 1 40 PHE HB2 2.800 . 3.800 2.156 2.044 2.266 . 0 0 "[ . 1]" 1
2055 1 59 PHE H 1 62 MET ME 2.900 . 3.900 3.292 3.121 3.430 . 0 0 "[ . 1]" 1
2056 1 19 VAL HA 1 22 CYS HB2 3.600 . 5.300 3.734 2.818 4.982 . 0 0 "[ . 1]" 1
2057 1 43 LYS HA 1 43 LYS HG3 2.300 . 3.000 2.255 2.118 2.614 . 0 0 "[ . 1]" 1
2058 1 26 HIS HE1 1 33 ALA MB 2.200 . 2.800 2.050 1.842 2.274 . 0 0 "[ . 1]" 1
2059 1 64 LYS HA 1 67 LYS HB2 2.800 . 3.800 2.291 2.055 2.397 . 0 0 "[ . 1]" 1
2060 1 18 PHE HZ 1 47 ARG HG2 3.400 . 4.800 3.168 1.986 4.146 0.014 9 0 "[ . 1]" 1
2061 1 17 PHE HB2 1 17 PHE QD 3.200 . 4.500 2.205 2.123 2.266 . 0 0 "[ . 1]" 1
2062 1 6 LYS HA 1 6 LYS HB2 2.200 . 2.800 2.301 2.247 2.406 . 0 0 "[ . 1]" 1
2063 1 27 LYS QD 1 27 LYS QE 1.500 . 2.200 1.615 1.588 1.659 . 0 0 "[ . 1]" 1
2064 1 74 MET HA 1 74 MET QG 2.300 . 3.000 2.472 2.224 2.687 . 0 0 "[ . 1]" 1
2065 1 64 LYS QD 1 64 LYS HG3 2.100 . 2.600 2.003 1.908 2.063 . 0 0 "[ . 1]" 1
2066 1 28 LYS H 1 28 LYS HG2 3.100 . 4.300 3.114 2.070 3.714 . 0 0 "[ . 1]" 1
2067 1 26 HIS HD2 1 33 ALA MB 3.000 . 6.000 4.214 2.428 4.716 . 0 0 "[ . 1]" 1
2068 1 11 LYS HE2 1 67 LYS H 3.900 . 5.800 5.258 4.734 5.814 0.014 10 0 "[ . 1]" 1
2069 1 51 MET ME 1 56 LYS HD2 3.300 . 4.700 3.086 2.882 3.185 . 0 0 "[ . 1]" 1
2070 1 71 GLU H 1 72 ARG HA 3.300 . 4.700 3.482 3.440 3.517 . 0 0 "[ . 1]" 1
2071 1 26 HIS HA 1 28 LYS H 3.200 . 4.500 3.468 3.233 3.668 . 0 0 "[ . 1]" 1
2072 1 6 LYS QD 1 6 LYS QE 1.500 . 2.200 1.596 1.576 1.635 . 0 0 "[ . 1]" 1
2073 1 8 PRO HB3 1 70 TYR QD 2.900 . 3.900 2.484 1.974 2.758 . 0 0 "[ . 1]" 1
2074 1 2 LYS H 1 2 LYS QG 3.500 . 5.000 2.509 2.017 3.094 . 0 0 "[ . 1]" 1
2075 1 27 LYS HA 1 27 LYS QE 2.400 . 3.100 2.434 1.698 2.989 0.002 8 0 "[ . 1]" 1
2076 1 79 PRO HB3 1 80 PRO HD2 2.700 . 3.600 3.165 2.811 3.491 . 0 0 "[ . 1]" 1
2077 1 11 LYS HA 1 12 MET HA 3.700 . 5.400 4.360 4.104 4.750 . 0 0 "[ . 1]" 1
2078 1 23 ARG HA 1 40 PHE QE 3.200 . 4.500 2.760 2.521 3.107 . 0 0 "[ . 1]" 1
2079 1 55 GLU HA 1 58 LYS HB3 2.600 . 3.500 2.538 2.311 2.764 . 0 0 "[ . 1]" 1
2080 1 36 ASN HB3 1 39 GLU HB2 3.600 . 5.200 3.138 2.367 3.658 . 0 0 "[ . 1]" 1
2081 1 7 LYS HE2 1 77 TYR QE 3.200 . 4.500 3.452 3.044 3.995 . 0 0 "[ . 1]" 1
2082 1 7 LYS HA 1 7 LYS HB2 2.800 . 3.800 2.227 2.034 2.374 . 0 0 "[ . 1]" 1
2083 1 7 LYS HA 1 77 TYR QE 2.800 . 3.700 2.789 1.949 3.483 . 0 0 "[ . 1]" 1
2084 1 26 HIS HB3 1 40 PHE HZ 3.400 . 6.000 5.275 4.874 5.825 . 0 0 "[ . 1]" 1
2085 1 27 LYS H 1 27 LYS QE 2.500 . 6.000 3.786 3.160 4.174 . 0 0 "[ . 1]" 1
2086 1 17 PHE HA 1 19 VAL QG 4.000 . 6.000 3.834 3.675 3.968 . 0 0 "[ . 1]" 1
2087 1 15 TYR QE 1 19 VAL QG 3.300 . 4.700 3.323 3.145 3.574 . 0 0 "[ . 1]" 1
2088 1 13 SER HB2 1 15 TYR QD 4.300 . 6.000 4.608 4.322 5.115 . 0 0 "[ . 1]" 1
2089 1 24 GLU HG3 1 28 LYS H 3.900 . 5.800 3.985 3.700 4.416 . 0 0 "[ . 1]" 1
2090 1 2 LYS H 1 2 LYS HG2 3.300 . 4.600 2.749 2.419 3.318 . 0 0 "[ . 1]" 1
2091 1 11 LYS HE3 1 70 TYR QD 3.500 . 5.100 3.008 2.101 3.639 . 0 0 "[ . 1]" 1
2092 1 27 LYS HG2 1 28 LYS H 2.900 . 3.900 2.766 2.203 3.644 . 0 0 "[ . 1]" 1
2093 1 28 LYS H 1 28 LYS HB3 2.300 . 2.900 2.020 1.936 2.138 . 0 0 "[ . 1]" 1
2094 1 22 CYS H 1 62 MET ME 3.000 . 6.000 4.650 4.532 4.777 . 0 0 "[ . 1]" 1
2095 1 50 THR H 1 50 THR HA 2.600 . 3.500 2.606 2.580 2.626 . 0 0 "[ . 1]" 1
2096 1 17 PHE HA 1 19 VAL QG 4.100 . 6.000 3.840 3.668 4.003 . 0 0 "[ . 1]" 1
2097 1 18 PHE QE 1 19 VAL HB 3.700 . 5.400 2.982 2.650 3.351 . 0 0 "[ . 1]" 1
2098 1 60 GLU HB3 1 61 ASP HB2 4.200 . 6.000 4.105 3.260 4.410 . 0 0 "[ . 1]" 1
2099 1 55 GLU H 1 55 GLU HB3 4.000 . 6.000 3.305 3.085 3.363 . 0 0 "[ . 1]" 1
2100 1 6 LYS HA 1 7 LYS HB2 3.700 . 5.400 4.831 4.596 4.993 . 0 0 "[ . 1]" 1
2101 1 73 GLU H 1 73 GLU HB3 3.200 . 4.500 2.373 2.147 2.695 . 0 0 "[ . 1]" 1
2102 1 18 PHE H 1 19 VAL QG 3.600 . 5.200 2.897 2.261 3.043 . 0 0 "[ . 1]" 1
2103 1 27 LYS HA 1 30 HIS HB3 4.300 . 6.000 4.625 4.393 4.856 . 0 0 "[ . 1]" 1
2104 1 5 PRO HB2 1 5 PRO QD 3.200 . 4.500 3.125 2.818 3.270 . 0 0 "[ . 1]" 1
2105 1 17 PHE QE 1 63 ALA MB 3.100 . 4.300 3.414 3.030 3.793 . 0 0 "[ . 1]" 1
2106 1 40 PHE HA 1 43 LYS HG2 2.300 . 2.900 2.102 1.984 2.437 . 0 0 "[ . 1]" 1
2107 1 12 MET ME 1 17 PHE HZ 3.500 . 5.000 4.573 4.084 4.813 . 0 0 "[ . 1]" 1
2108 1 48 TRP HH2 1 51 MET ME 3.400 . 4.900 3.031 2.622 3.436 . 0 0 "[ . 1]" 1
2109 1 12 MET HA 1 12 MET ME 3.400 . 4.800 3.751 3.445 3.954 . 0 0 "[ . 1]" 1
2110 1 60 GLU HA 1 63 ALA MB 2.200 . 2.800 1.995 1.905 2.041 . 0 0 "[ . 1]" 1
2111 1 12 MET HB2 1 17 PHE QE 3.300 . 4.700 2.972 2.099 3.622 . 0 0 "[ . 1]" 1
2112 1 6 LYS HB2 1 6 LYS QG 1.900 . 2.400 1.804 1.748 1.853 . 0 0 "[ . 1]" 1
2113 1 27 LYS HE2 1 27 LYS HG2 2.300 . 3.000 2.107 1.973 2.309 . 0 0 "[ . 1]" 1
2114 1 11 LYS HE2 1 70 TYR QD 3.200 . 4.500 2.916 2.421 3.635 . 0 0 "[ . 1]" 1
2115 1 23 ARG HA 1 35 VAL QG 3.200 . 4.500 3.076 2.492 4.196 . 0 0 "[ . 1]" 1
2116 1 21 THR HA 1 24 GLU HB2 3.600 . 5.200 3.847 3.418 4.227 . 0 0 "[ . 1]" 1
2117 1 24 GLU HG3 1 28 LYS HE2 2.800 . 3.800 2.129 1.714 2.497 0.086 8 0 "[ . 1]" 1
2118 1 65 ALA HA 1 67 LYS HB2 3.400 . 4.800 2.666 2.532 2.905 . 0 0 "[ . 1]" 1
2119 1 24 GLU HG2 1 28 LYS H 3.800 . 5.600 4.108 3.693 4.957 . 0 0 "[ . 1]" 1
2120 1 7 LYS H 1 7 LYS HB2 2.600 . 3.400 2.236 2.100 2.692 . 0 0 "[ . 1]" 1
2121 1 2 LYS HA 1 2 LYS QB 2.200 . 2.800 2.054 1.940 2.177 . 0 0 "[ . 1]" 1
2122 1 36 ASN HB3 1 39 GLU H 3.400 . 4.800 2.798 2.363 3.053 . 0 0 "[ . 1]" 1
2123 1 15 TYR QD 1 19 VAL QG 3.600 . 5.200 3.292 2.744 4.232 . 0 0 "[ . 1]" 1
2124 1 24 GLU HA 1 27 LYS QB 2.000 . 2.500 2.045 1.857 2.261 . 0 0 "[ . 1]" 1
2125 1 6 LYS HE3 1 7 LYS H 2.900 . 6.000 4.383 3.666 5.181 . 0 0 "[ . 1]" 1
2126 1 78 ILE MG 1 79 PRO HA 3.400 . 4.900 3.737 3.439 3.973 . 0 0 "[ . 1]" 1
2127 1 77 TYR QE 1 79 PRO HG2 2.800 . 3.800 3.968 3.513 4.526 0.726 3 3 "[ + . * -1]" 1
2128 1 36 ASN HB2 1 37 PHE HA 3.300 . 4.700 4.229 3.865 4.739 0.039 8 0 "[ . 1]" 1
2129 1 59 PHE HA 1 62 MET HA 3.800 . 5.600 4.002 3.920 4.064 . 0 0 "[ . 1]" 1
2130 1 7 LYS HB3 1 7 LYS QE 3.800 . 5.600 3.169 1.998 3.874 0.002 10 0 "[ . 1]" 1
2131 1 5 PRO HB2 1 5 PRO QG 2.100 . 2.600 2.129 2.090 2.167 . 0 0 "[ . 1]" 1
2132 1 12 MET ME 1 16 ALA HA 3.800 . 5.600 3.860 3.607 4.215 . 0 0 "[ . 1]" 1
2133 1 18 PHE HA 1 19 VAL QG 3.400 . 4.800 2.859 2.567 3.363 . 0 0 "[ . 1]" 1
2134 1 49 LYS HB2 1 49 LYS HG3 2.000 . 2.500 1.924 1.886 1.983 . 0 0 "[ . 1]" 1
2135 1 24 GLU HG3 1 27 LYS QD 3.000 . 4.100 3.036 2.432 3.648 . 0 0 "[ . 1]" 1
2136 1 17 PHE QD 1 63 ALA MB 3.700 . 5.400 2.505 2.136 2.747 . 0 0 "[ . 1]" 1
2137 1 48 TRP HD1 1 56 LYS QD 4.000 . 6.000 5.147 4.635 5.499 . 0 0 "[ . 1]" 1
2138 1 64 LYS QB 1 64 LYS QE 3.200 . 4.500 2.939 2.066 3.391 . 0 0 "[ . 1]" 1
2139 1 15 TYR HB3 2 43 LEU MD1 5.600 . 6.000 5.530 5.352 5.836 . 0 0 "[ . 1]" 1
2140 1 15 TYR QD 2 43 LEU MD1 4.300 . 6.000 4.845 4.627 5.046 . 0 0 "[ . 1]" 1
2141 1 15 TYR QD 2 43 LEU HB3 4.700 . 6.000 4.776 4.121 5.651 . 0 0 "[ . 1]" 1
2142 1 42 LYS HG3 2 43 LEU MD1 4.700 . 6.000 5.797 4.809 6.991 0.991 9 1 "[ . +1]" 1
2143 1 42 LYS HA 2 43 LEU MD1 4.000 . 6.000 4.122 3.298 4.641 . 0 0 "[ . 1]" 1
2144 1 40 PHE HZ 2 43 LEU MD1 3.500 . 6.000 5.863 5.757 5.939 . 0 0 "[ . 1]" 1
2145 1 15 TYR QB 2 43 LEU QD 5.500 . 6.000 4.667 3.703 5.271 . 0 0 "[ . 1]" 1
2146 1 18 PHE HZ 2 43 LEU MD1 4.200 . 6.000 5.982 5.547 6.114 0.114 8 0 "[ . 1]" 1
2147 2 21 ASP HA 2 24 LYS H 2.800 . 3.800 2.943 2.712 3.117 . 0 0 "[ . 1]" 1
2148 2 49 ASP H 2 50 ILE HB 4.700 . 6.000 5.037 3.926 5.694 . 0 0 "[ . 1]" 1
2149 2 28 GLU HB3 2 30 ASN H 3.000 . 4.100 2.547 2.146 3.006 . 0 0 "[ . 1]" 1
2150 2 41 ASP HA 2 42 ASP H 2.400 . 3.100 2.687 2.594 2.793 . 0 0 "[ . 1]" 1
2151 2 53 TRP H 2 53 TRP QB 3.000 . 4.100 3.113 3.037 3.187 . 0 0 "[ . 1]" 1
2152 1 19 VAL QG 2 45 LEU H 3.600 . 5.200 2.919 2.653 3.388 . 0 0 "[ . 1]" 1
2153 2 43 LEU HG 2 44 MET H 3.700 . 5.400 4.132 3.822 4.423 . 0 0 "[ . 1]" 1
2154 2 44 MET HA 2 45 LEU H 2.400 . 3.100 2.790 2.775 2.814 . 0 0 "[ . 1]" 1
2155 2 55 THR HA 2 56 GLU H 2.400 . 3.100 2.182 2.093 2.415 . 0 0 "[ . 1]" 1
2156 2 53 TRP HB2 2 54 PHE H 2.700 . 3.600 2.653 2.389 3.027 . 0 0 "[ . 1]" 1
2157 2 46 SER H 2 48 ASP HB3 3.500 . 5.100 4.369 3.563 5.698 0.598 5 2 "[ - + 1]" 1
2158 2 22 LEU MD1 2 23 TRP H 3.500 . 5.000 4.444 4.347 4.606 . 0 0 "[ . 1]" 1
2159 2 45 LEU QD 2 46 SER H 3.800 . 5.600 3.024 2.493 3.791 . 0 0 "[ . 1]" 1
2160 2 16 GLN HA 2 19 PHE H 2.900 . 3.900 2.715 2.589 2.857 . 0 0 "[ . 1]" 1
2161 2 48 ASP HB3 2 49 ASP H 2.600 . 3.400 2.274 2.111 2.434 . 0 0 "[ . 1]" 1
2162 2 30 ASN H 2 31 VAL H 3.300 . 4.700 1.994 1.778 2.436 0.122 8 0 "[ . 1]" 1
2163 2 48 ASP H 2 50 ILE H 2.800 . 3.800 2.687 2.373 2.918 . 0 0 "[ . 1]" 1
2164 2 19 PHE HA 2 22 LEU H 2.800 . 3.800 3.045 2.957 3.250 . 0 0 "[ . 1]" 1
2165 2 19 PHE H 2 20 SER H 3.600 . 5.300 2.241 2.106 2.334 . 0 0 "[ . 1]" 1
2166 2 29 ASN HD22 2 31 VAL QG 3.800 . 5.600 3.690 1.981 6.346 0.746 2 1 "[ + . 1]" 1
2167 2 36 PRO HA 2 37 SER H 2.600 . 3.500 2.114 2.086 2.195 . 0 0 "[ . 1]" 1
2168 2 18 THR HA 2 22 LEU H 3.900 . 5.800 3.707 3.505 3.922 . 0 0 "[ . 1]" 1
2169 2 37 SER HA 2 38 GLN H 3.000 . 4.200 2.692 2.509 2.803 . 0 0 "[ . 1]" 1
2170 2 21 ASP HA 2 23 TRP HE1 4.300 . 6.000 4.841 4.274 5.245 . 0 0 "[ . 1]" 1
2171 2 21 ASP HA 2 23 TRP H 2.700 . 3.600 2.839 2.823 2.861 . 0 0 "[ . 1]" 1
2172 2 50 ILE HB 2 51 GLU H 2.500 . 3.300 2.878 2.509 3.349 0.049 6 0 "[ . 1]" 1
2173 2 46 SER HB2 2 49 ASP H 4.500 . 6.000 3.552 2.941 4.577 . 0 0 "[ . 1]" 1
2174 2 18 THR HA 2 20 SER H 3.600 . 5.200 2.808 2.759 2.850 . 0 0 "[ . 1]" 1
2175 2 43 LEU H 2 44 MET H 2.800 . 3.800 2.309 2.008 2.494 . 0 0 "[ . 1]" 1
2176 2 23 TRP H 2 24 LYS H 2.300 . 3.000 2.272 2.092 2.470 . 0 0 "[ . 1]" 1
2177 2 25 LEU H 2 25 LEU QD 3.900 . 5.800 3.032 2.910 3.126 . 0 0 "[ . 1]" 1
2178 2 58 PRO QD 2 59 GLY H 4.100 . 6.000 2.828 2.253 3.092 . 0 0 "[ . 1]" 1
2179 2 29 ASN HB2 2 29 ASN HD21 2.400 . 3.100 2.095 1.954 2.276 . 0 0 "[ . 1]" 1
2180 2 34 PRO HB2 2 35 LEU H 2.900 . 4.000 2.687 2.069 3.368 . 0 0 "[ . 1]" 1
2181 2 17 GLU HA 2 18 THR H 2.700 . 3.600 2.740 2.650 2.809 . 0 0 "[ . 1]" 1
2182 2 27 PRO HB3 2 28 GLU H 3.400 . 4.900 2.996 1.984 3.726 . 0 0 "[ . 1]" 1
2183 2 27 PRO HB2 2 28 GLU H 2.700 . 3.600 2.707 2.232 3.245 . 0 0 "[ . 1]" 1
2184 2 34 PRO HB3 2 35 LEU H 3.300 . 4.700 2.952 1.879 3.702 0.021 9 0 "[ . 1]" 1
2185 2 29 ASN HB2 2 30 ASN H 3.800 . 5.600 3.010 2.478 3.590 . 0 0 "[ . 1]" 1
2186 2 28 GLU H 2 29 ASN H 3.800 . 5.600 3.884 2.204 4.386 . 0 0 "[ . 1]" 1
2187 2 19 PHE HA 2 20 SER H 3.500 . 5.000 3.430 3.386 3.465 . 0 0 "[ . 1]" 1
2188 2 25 LEU QB 2 26 LEU H 2.600 . 3.400 2.774 2.404 3.145 . 0 0 "[ . 1]" 1
2189 2 49 ASP H 2 51 GLU H 2.800 . 3.800 2.703 2.591 2.814 . 0 0 "[ . 1]" 1
2190 2 29 ASN HD21 2 31 VAL MG1 3.400 . 4.900 2.445 1.909 3.275 . 0 0 "[ . 1]" 1
2191 2 18 THR H 2 19 PHE H 3.400 . 4.800 2.066 1.933 2.201 0.067 1 0 "[ . 1]" 1
2192 2 34 PRO HG2 2 35 LEU H 3.200 . 4.500 3.078 2.354 3.942 . 0 0 "[ . 1]" 1
2193 2 41 ASP HB2 2 42 ASP H 2.500 . 3.300 2.381 2.203 2.738 . 0 0 "[ . 1]" 1
2194 1 19 VAL QG 2 44 MET H 4.300 . 6.000 3.680 3.047 4.034 . 0 0 "[ . 1]" 1
2195 2 53 TRP HA 2 54 PHE H 2.900 . 4.000 2.740 2.680 2.797 . 0 0 "[ . 1]" 1
2196 2 14 LEU MD1 2 16 GLN HE21 3.200 . 4.400 2.884 1.998 4.339 0.002 2 0 "[ . 1]" 1
2197 2 22 LEU HA 2 23 TRP H 3.100 . 4.300 3.445 3.388 3.467 . 0 0 "[ . 1]" 1
2198 2 48 ASP HA 2 49 ASP H 2.700 . 3.600 2.781 2.742 2.806 . 0 0 "[ . 1]" 1
2199 2 40 MET QB 2 42 ASP H 3.400 . 4.800 4.273 3.119 4.638 . 0 0 "[ . 1]" 1
2200 2 51 GLU HG3 2 52 GLN H 3.200 . 4.500 2.448 1.843 3.959 0.057 7 0 "[ . 1]" 1
2201 2 34 PRO HA 2 35 LEU MD1 3.500 . 5.000 4.438 3.300 4.670 . 0 0 "[ . 1]" 1
2202 2 54 PHE H 2 54 PHE HA 2.800 . 3.800 2.516 2.080 2.807 . 0 0 "[ . 1]" 1
2203 2 23 TRP HB3 2 25 LEU MD1 4.400 . 6.000 4.699 4.287 5.134 . 0 0 "[ . 1]" 1
2204 2 23 TRP H 2 23 TRP HE3 3.800 . 5.600 4.051 3.672 4.407 . 0 0 "[ . 1]" 1
2205 2 14 LEU H 2 14 LEU MD1 3.800 . 5.600 2.797 2.467 3.190 . 0 0 "[ . 1]" 1
2206 2 45 LEU QD 2 53 TRP HE3 4.100 . 6.000 3.511 2.902 4.236 . 0 0 "[ . 1]" 1
2207 1 9 ARG HG2 2 53 TRP HE3 3.300 . 6.000 4.794 3.182 5.537 . 0 0 "[ . 1]" 1
2208 2 26 LEU QB 2 27 PRO HD2 3.100 . 4.300 2.643 1.961 3.451 . 0 0 "[ . 1]" 1
2209 2 43 LEU HB3 2 44 MET HG3 3.800 . 5.600 3.513 3.096 4.329 . 0 0 "[ . 1]" 1
2210 2 34 PRO HB3 2 34 PRO HD2 3.300 . 4.600 3.041 2.771 3.287 . 0 0 "[ . 1]" 1
2211 2 46 SER HB3 2 48 ASP HB3 3.900 . 5.800 4.281 3.460 5.196 . 0 0 "[ . 1]" 1
2212 2 34 PRO HB3 2 34 PRO HD2 3.100 . 4.300 2.705 2.532 3.148 . 0 0 "[ . 1]" 1
2213 2 22 LEU H 2 22 LEU HB3 3.400 . 4.900 3.256 3.212 3.319 . 0 0 "[ . 1]" 1
2214 2 19 PHE HB3 2 22 LEU MD1 3.700 . 5.400 2.779 2.556 3.186 . 0 0 "[ . 1]" 1
2215 2 23 TRP H 2 24 LYS HB2 3.900 . 5.800 3.712 3.544 3.834 . 0 0 "[ . 1]" 1
2216 2 23 TRP HA 2 24 LYS HB3 3.000 . 4.200 3.485 3.023 3.817 . 0 0 "[ . 1]" 1
2217 2 26 LEU MD1 2 28 GLU HB2 3.100 . 4.300 3.292 2.235 4.303 0.003 9 0 "[ . 1]" 1
2218 2 57 ASP H 2 58 PRO QD 3.200 . 4.400 2.869 2.255 3.089 . 0 0 "[ . 1]" 1
2219 1 37 PHE QE 2 45 LEU QD 3.800 . 5.600 2.035 1.783 2.601 0.217 3 0 "[ . 1]" 1
2220 2 26 LEU MD2 2 27 PRO HD2 4.000 . 6.000 4.150 2.787 4.836 . 0 0 "[ . 1]" 1
2221 2 24 LYS HB2 2 25 LEU QD 3.800 . 5.600 4.144 3.833 4.291 . 0 0 "[ . 1]" 1
2222 2 49 ASP H 2 50 ILE MD 4.200 . 6.000 4.377 3.968 4.748 . 0 0 "[ . 1]" 1
2223 2 49 ASP H 2 50 ILE MG 4.100 . 6.000 3.307 2.914 3.500 . 0 0 "[ . 1]" 1
2224 2 40 MET HA 2 41 ASP H 2.700 . 3.600 3.104 2.650 3.461 . 0 0 "[ . 1]" 1
2225 2 52 GLN H 2 52 GLN HA 2.800 . 3.700 2.751 2.680 2.799 . 0 0 "[ . 1]" 1
2226 2 58 PRO HA 2 59 GLY HA2 3.800 . 5.600 4.107 3.999 4.233 . 0 0 "[ . 1]" 1
2227 2 24 LYS HA 2 24 LYS HB2 2.400 . 3.100 2.924 2.907 2.941 . 0 0 "[ . 1]" 1
2228 2 49 ASP H 2 50 ILE HB 3.800 . 5.600 3.473 2.910 4.069 . 0 0 "[ . 1]" 1
2229 2 23 TRP HB3 2 23 TRP HE3 3.900 . 5.800 3.743 3.696 3.776 . 0 0 "[ . 1]" 1
2230 2 41 ASP HA 2 43 LEU H 2.400 . 3.100 2.904 2.609 3.181 0.081 8 0 "[ . 1]" 1
2231 2 21 ASP QB 2 22 LEU QD 3.300 . 4.700 3.485 2.618 3.938 . 0 0 "[ . 1]" 1
2232 1 37 PHE HZ 2 50 ILE MD 3.100 . 4.300 2.452 1.881 2.952 0.019 5 0 "[ . 1]" 1
2233 2 54 PHE H 2 54 PHE HB2 3.100 . 4.300 2.703 2.421 2.983 . 0 0 "[ . 1]" 1
2234 1 41 SER QB 2 40 MET HG2 3.100 . 6.000 4.055 2.768 5.247 . 0 0 "[ . 1]" 1
2235 2 32 LEU HA 2 32 LEU HB3 2.400 . 3.100 2.228 2.175 2.418 . 0 0 "[ . 1]" 1
2236 2 54 PHE H 2 54 PHE QD 3.500 . 5.000 3.027 2.286 3.484 . 0 0 "[ . 1]" 1
2237 2 22 LEU HA 2 23 TRP H 2.400 . 3.100 2.642 2.496 2.758 . 0 0 "[ . 1]" 1
2238 2 25 LEU QB 2 25 LEU MD2 1.900 . 2.400 1.652 1.648 1.655 . 0 0 "[ . 1]" 1
2239 2 25 LEU H 2 25 LEU MD1 3.000 . 4.100 2.831 2.454 3.292 . 0 0 "[ . 1]" 1
2240 1 23 ARG QD 2 50 ILE MG 3.100 . 4.300 3.430 2.542 4.524 0.224 8 0 "[ . 1]" 1
2241 1 37 PHE QE 2 50 ILE MG 3.500 . 5.000 2.719 2.215 4.131 . 0 0 "[ . 1]" 1
2242 1 20 GLN H 2 45 LEU QD 3.500 . 5.000 2.839 2.684 2.966 . 0 0 "[ . 1]" 1
2243 2 26 LEU HB3 2 27 PRO HD3 3.200 . 4.500 3.497 2.992 3.827 . 0 0 "[ . 1]" 1
2244 2 40 MET QB 2 42 ASP QB 3.100 . 4.300 3.911 2.963 4.723 0.423 7 0 "[ . 1]" 1
2245 2 29 ASN H 2 29 ASN HB3 3.700 . 5.400 2.662 2.039 3.142 . 0 0 "[ . 1]" 1
2246 2 53 TRP H 2 53 TRP QB 3.000 . 4.100 2.892 2.591 3.074 . 0 0 "[ . 1]" 1
2247 2 42 ASP QB 2 43 LEU MD2 3.500 . 5.000 3.498 2.552 4.464 . 0 0 "[ . 1]" 1
2248 2 21 ASP QB 2 22 LEU HG 3.400 . 4.800 3.067 2.727 3.511 . 0 0 "[ . 1]" 1
2249 2 21 ASP HA 2 23 TRP HD1 3.700 . 5.400 4.121 3.901 4.238 . 0 0 "[ . 1]" 1
2250 2 16 GLN HA 2 19 PHE HB2 3.400 . 4.900 2.980 1.879 4.300 0.021 2 0 "[ . 1]" 1
2251 2 40 MET HA 2 40 MET QB 2.200 . 2.800 2.021 1.929 2.152 . 0 0 "[ . 1]" 1
2252 2 33 SER HA 2 33 SER HB3 2.400 . 3.100 2.351 2.186 2.700 . 0 0 "[ . 1]" 1
2253 2 30 ASN HB3 2 31 VAL MG2 3.500 . 5.100 3.040 2.095 4.575 . 0 0 "[ . 1]" 1
2254 2 26 LEU HG 2 27 PRO HD3 3.500 . 5.000 3.213 2.357 4.289 . 0 0 "[ . 1]" 1
2255 2 26 LEU MD2 2 27 PRO HD3 3.500 . 5.000 4.026 2.984 4.577 . 0 0 "[ . 1]" 1
2256 2 48 ASP H 2 50 ILE HG13 3.600 . 5.200 3.244 2.344 4.473 . 0 0 "[ . 1]" 1
2257 2 45 LEU HA 2 50 ILE MD 3.200 . 4.500 3.846 3.194 4.549 0.049 6 0 "[ . 1]" 1
2258 2 26 LEU QB 2 27 PRO HD3 2.700 . 3.600 3.136 2.756 3.533 . 0 0 "[ . 1]" 1
2259 2 14 LEU HA 2 14 LEU HB3 2.200 . 2.800 2.223 2.112 2.360 . 0 0 "[ . 1]" 1
2260 2 40 MET HA 2 40 MET HG2 3.400 . 4.800 3.025 2.527 3.420 . 0 0 "[ . 1]" 1
2261 2 22 LEU HA 2 25 LEU MD2 3.600 . 5.200 3.805 3.227 4.075 . 0 0 "[ . 1]" 1
2262 2 23 TRP HH2 2 26 LEU MD2 3.000 . 6.000 4.336 1.894 6.234 0.234 7 0 "[ . 1]" 1
2263 2 26 LEU HA 2 26 LEU HG 2.900 . 3.900 2.896 2.696 3.239 . 0 0 "[ . 1]" 1
2264 2 14 LEU MD1 2 15 SER HA 3.100 . 4.300 3.987 3.326 4.301 0.001 8 0 "[ . 1]" 1
2265 2 26 LEU HA 2 26 LEU MD2 2.200 . 2.800 2.006 1.808 2.156 . 0 0 "[ . 1]" 1
2266 2 49 ASP H 2 50 ILE HA 3.500 . 5.100 3.083 2.713 3.489 . 0 0 "[ . 1]" 1
2267 2 20 SER H 2 20 SER HB3 3.400 . 4.800 2.830 2.398 3.421 . 0 0 "[ . 1]" 1
2268 1 19 VAL HA 2 45 LEU QD 3.000 . 4.100 3.288 3.009 3.487 . 0 0 "[ . 1]" 1
2269 2 29 ASN HA 2 29 ASN HB3 2.300 . 3.000 2.248 2.175 2.380 . 0 0 "[ . 1]" 1
2270 2 47 PRO HA 2 48 ASP HB2 4.100 . 6.000 4.562 4.147 5.129 . 0 0 "[ . 1]" 1
2271 2 17 GLU HG2 2 18 THR HB 3.800 . 5.600 4.454 3.020 5.237 . 0 0 "[ . 1]" 1
2272 2 33 SER HA 2 34 PRO HD2 2.100 . 2.600 2.186 2.037 2.415 . 0 0 "[ . 1]" 1
2273 2 22 LEU HA 2 23 TRP HD1 4.500 . 6.000 5.133 4.949 5.256 . 0 0 "[ . 1]" 1
2274 2 45 LEU QD 2 53 TRP HB2 4.200 . 6.000 4.916 4.461 5.356 . 0 0 "[ . 1]" 1
2275 2 37 SER H 2 37 SER HB2 3.400 . 4.800 2.668 2.419 3.297 . 0 0 "[ . 1]" 1
2276 2 43 LEU H 2 43 LEU HG 2.900 . 3.900 2.431 1.813 2.858 0.087 9 0 "[ . 1]" 1
2277 1 23 ARG QD 2 45 LEU QD 3.100 . 4.300 2.504 2.075 3.338 . 0 0 "[ . 1]" 1
2278 2 17 GLU HG2 2 18 THR H 3.400 . 4.900 2.776 2.066 3.746 . 0 0 "[ . 1]" 1
2279 2 23 TRP HE3 2 24 LYS HA 2.600 . 3.500 2.791 2.713 2.835 . 0 0 "[ . 1]" 1
2280 2 29 ASN HB3 2 29 ASN HD21 3.000 . 4.100 2.514 2.142 3.074 . 0 0 "[ . 1]" 1
2281 2 22 LEU HB2 2 22 LEU MD1 1.900 . 2.300 1.617 1.605 1.642 . 0 0 "[ . 1]" 1
2282 1 40 PHE QR 2 45 LEU QD 3.300 . 4.700 2.033 1.783 2.594 0.117 3 0 "[ . 1]" 1
2283 1 18 PHE HZ 2 44 MET ME 2.800 . 6.000 5.531 4.871 6.007 0.007 7 0 "[ . 1]" 1
2284 2 48 ASP HA 2 50 ILE MG 4.200 . 6.000 4.817 4.417 5.509 . 0 0 "[ . 1]" 1
2285 1 45 SER HA 2 43 LEU MD1 3.200 . 4.400 3.272 2.083 3.513 . 0 0 "[ . 1]" 1
2286 2 14 LEU QB 2 14 LEU MD1 1.900 . 2.300 1.530 1.512 1.554 . 0 0 "[ . 1]" 1
2287 2 40 MET QB 2 41 ASP HA 3.200 . 4.400 4.039 3.867 4.340 . 0 0 "[ . 1]" 1
2288 2 26 LEU HA 2 26 LEU MD2 2.800 . 3.800 3.167 2.035 3.540 . 0 0 "[ . 1]" 1
2289 2 24 LYS QD 2 25 LEU MD2 2.600 . 6.000 4.663 3.348 5.287 . 0 0 "[ . 1]" 1
2290 2 23 TRP H 2 23 TRP HA 2.700 . 3.600 2.699 2.667 2.745 . 0 0 "[ . 1]" 1
2291 2 41 ASP HA 2 41 ASP QB 2.000 . 2.500 2.036 1.937 2.147 . 0 0 "[ . 1]" 1
2292 2 25 LEU H 2 31 VAL QG 2.600 . 6.000 5.661 4.529 6.124 0.124 1 0 "[ . 1]" 1
2293 1 37 PHE HZ 2 50 ILE HG12 4.200 . 6.000 3.905 2.549 4.729 . 0 0 "[ . 1]" 1
2294 2 20 SER HB3 2 22 LEU HG 3.400 . 4.900 4.447 3.626 5.388 0.488 9 0 "[ . 1]" 1
2295 2 54 PHE H 2 54 PHE HB3 3.000 . 4.100 2.294 1.996 2.637 . 0 0 "[ . 1]" 1
2296 2 24 LYS HA 2 25 LEU HB3 4.300 . 6.000 4.581 4.224 4.814 . 0 0 "[ . 1]" 1
2297 2 16 GLN HB2 2 20 SER HB2 2.900 . 6.000 4.914 2.980 6.394 0.394 7 0 "[ . 1]" 1
2298 2 26 LEU H 2 27 PRO QG 4.500 . 6.000 5.223 4.913 5.445 . 0 0 "[ . 1]" 1
2299 2 23 TRP HA 2 25 LEU QD 3.400 . 4.800 3.849 3.427 4.076 . 0 0 "[ . 1]" 1
2300 2 45 LEU QD 2 53 TRP HH2 3.300 . 4.600 1.945 1.533 2.560 0.467 4 0 "[ . 1]" 1
2301 2 27 PRO HB2 2 27 PRO HD3 2.500 . 3.300 3.257 2.828 3.553 0.253 8 0 "[ . 1]" 1
2302 2 14 LEU H 2 14 LEU HA 2.500 . 3.300 2.189 2.042 2.337 . 0 0 "[ . 1]" 1
2303 2 22 LEU HB2 2 23 TRP HD1 3.500 . 5.000 3.717 3.476 3.875 . 0 0 "[ . 1]" 1
2304 2 22 LEU MD1 2 23 TRP HD1 3.500 . 5.000 5.001 4.851 5.075 0.075 6 0 "[ . 1]" 1
2305 2 50 ILE MG 2 51 GLU QG 3.300 . 4.700 4.334 2.848 5.089 0.389 5 0 "[ . 1]" 1
2306 2 25 LEU H 2 25 LEU HA 2.300 . 3.000 2.712 2.662 2.747 . 0 0 "[ . 1]" 1
2307 2 57 ASP H 2 57 ASP HB3 3.000 . 4.100 2.739 2.383 3.080 . 0 0 "[ . 1]" 1
2308 2 14 LEU HB3 2 14 LEU QD 2.000 . 2.500 1.928 1.882 1.977 . 0 0 "[ . 1]" 1
2309 2 24 LYS QE 2 25 LEU MD2 2.800 . 6.000 4.940 2.174 6.073 0.073 7 0 "[ . 1]" 1
2310 2 16 GLN HA 2 16 GLN HG2 2.700 . 3.600 2.579 2.304 2.992 . 0 0 "[ . 1]" 1
2311 2 53 TRP H 2 53 TRP HA 2.800 . 3.800 2.772 2.674 2.808 . 0 0 "[ . 1]" 1
2312 1 23 ARG QD 2 45 LEU HB3 3.500 . 5.000 4.635 4.370 4.923 . 0 0 "[ . 1]" 1
2313 2 23 TRP QB 2 24 LYS HB2 4.300 . 6.000 4.559 4.315 4.727 . 0 0 "[ . 1]" 1
2314 2 23 TRP H 2 24 LYS HB3 3.900 . 5.800 3.975 3.793 4.093 . 0 0 "[ . 1]" 1
2315 2 26 LEU HG 2 27 PRO HD2 4.300 . 6.000 4.111 3.700 4.490 . 0 0 "[ . 1]" 1
2316 2 48 ASP HA 2 50 ILE H 2.900 . 3.900 3.370 3.292 3.456 . 0 0 "[ . 1]" 1
2317 2 34 PRO HA 2 34 PRO HB3 1.700 . 2.200 2.041 2.023 2.057 . 0 0 "[ . 1]" 1
2318 2 39 ALA H 2 39 ALA MB 2.700 . 3.600 2.272 1.945 2.568 . 0 0 "[ . 1]" 1
2319 2 21 ASP HA 2 22 LEU QD 3.600 . 5.200 3.928 2.407 4.450 . 0 0 "[ . 1]" 1
2320 2 40 MET HA 2 40 MET ME 3.300 . 4.600 3.876 2.622 4.713 0.113 2 0 "[ . 1]" 1
2321 2 19 PHE QD 2 22 LEU HB3 4.900 . 6.000 4.826 4.448 5.084 . 0 0 "[ . 1]" 1
2322 2 27 PRO HD2 2 27 PRO QG 1.600 . 2.200 1.862 1.847 1.876 . 0 0 "[ . 1]" 1
2323 2 58 PRO HA 2 59 GLY HA3 3.900 . 5.800 4.215 3.941 4.488 . 0 0 "[ . 1]" 1
2324 2 45 LEU QD 2 53 TRP HH2 3.500 . 5.000 2.012 1.533 2.552 0.467 4 0 "[ . 1]" 1
2325 2 28 GLU QG 2 29 ASN H 3.600 . 5.200 3.106 2.364 3.914 . 0 0 "[ . 1]" 1
2326 2 14 LEU H 2 14 LEU MD2 4.200 . 6.000 3.488 2.305 4.549 . 0 0 "[ . 1]" 1
2327 2 22 LEU HB2 2 22 LEU MD2 2.000 . 2.500 1.883 1.881 1.885 . 0 0 "[ . 1]" 1
2328 2 26 LEU HB2 2 27 PRO HD2 4.000 . 6.000 3.018 2.002 3.828 . 0 0 "[ . 1]" 1
2329 2 53 TRP H 2 53 TRP HD1 3.200 . 4.500 3.096 2.750 3.408 . 0 0 "[ . 1]" 1
2330 2 17 GLU HG2 2 19 PHE QD 3.200 . 4.500 4.245 2.756 5.274 0.774 5 2 "[- + 1]" 1
2331 2 29 ASN HA 2 29 ASN HB2 2.400 . 3.100 2.366 2.133 2.706 . 0 0 "[ . 1]" 1
2332 2 23 TRP HB2 2 25 LEU MD1 4.300 . 6.000 3.480 2.956 4.014 . 0 0 "[ . 1]" 1
2333 2 15 SER HB2 2 17 GLU HB3 3.800 . 5.600 4.990 3.592 5.929 0.329 8 0 "[ . 1]" 1
2334 1 45 SER QB 2 43 LEU MD1 3.000 . 4.100 2.190 1.881 2.486 0.019 5 0 "[ . 1]" 1
2335 2 30 ASN HB2 2 31 VAL MG2 3.900 . 5.800 3.700 3.062 4.026 . 0 0 "[ . 1]" 1
2336 2 26 LEU HA 2 26 LEU HB3 2.300 . 3.000 2.152 2.093 2.232 . 0 0 "[ . 1]" 1
2337 2 37 SER H 2 37 SER HA 3.300 . 4.700 2.701 2.522 2.773 . 0 0 "[ . 1]" 1
2338 2 19 PHE HB3 2 19 PHE QE 4.200 . 6.000 3.930 3.912 3.969 . 0 0 "[ . 1]" 1
2339 2 26 LEU HB3 2 27 PRO HD2 3.500 . 5.000 3.288 1.993 3.843 0.007 1 0 "[ . 1]" 1
2340 2 23 TRP HH2 2 28 GLU HB2 3.100 . 6.000 4.602 2.895 6.002 0.002 3 0 "[ . 1]" 1
2341 2 43 LEU H 2 43 LEU MD1 3.400 . 4.900 3.010 2.691 3.384 . 0 0 "[ . 1]" 1
2342 2 32 LEU HA 2 32 LEU HG 2.700 . 3.600 2.844 2.719 3.028 . 0 0 "[ . 1]" 1
2343 2 43 LEU H 2 43 LEU HB3 3.100 . 4.300 3.057 2.703 3.298 . 0 0 "[ . 1]" 1
2344 2 16 GLN HA 2 19 PHE HB3 3.700 . 5.400 3.909 3.331 4.525 . 0 0 "[ . 1]" 1
2345 2 16 GLN HA 2 19 PHE QD 3.600 . 5.200 2.652 1.974 4.624 0.026 8 0 "[ . 1]" 1
2346 2 19 PHE QE 2 22 LEU MD1 3.500 . 5.100 2.191 1.850 2.823 0.050 10 0 "[ . 1]" 1
2347 2 14 LEU MD1 2 15 SER HB2 3.100 . 4.300 3.959 2.383 4.488 0.188 6 0 "[ . 1]" 1
2348 2 50 ILE HA 2 53 TRP HB2 3.600 . 5.200 3.611 2.589 4.659 . 0 0 "[ . 1]" 1
2349 2 14 LEU HA 2 14 LEU MD1 3.300 . 4.700 2.742 1.894 3.532 0.006 10 0 "[ . 1]" 1
2350 2 19 PHE HA 2 22 LEU HB3 4.200 . 6.000 3.953 3.807 4.088 . 0 0 "[ . 1]" 1
2351 2 24 LYS HB3 2 25 LEU QD 3.900 . 5.800 4.316 3.815 4.657 . 0 0 "[ . 1]" 1
2352 2 14 LEU H 2 14 LEU HB2 2.700 . 3.600 3.072 2.261 3.480 . 0 0 "[ . 1]" 1
2353 1 44 CYS HB3 2 43 LEU MD2 3.100 . 4.300 3.468 2.636 3.858 . 0 0 "[ . 1]" 1
2354 2 15 SER HB3 2 16 GLN HB2 3.500 . 5.000 4.175 2.788 4.965 . 0 0 "[ . 1]" 1
2355 2 26 LEU MD1 2 28 GLU HG3 2.900 . 4.000 2.892 2.130 3.638 . 0 0 "[ . 1]" 1
2356 2 23 TRP HE3 2 24 LYS HB2 4.500 . 6.000 4.611 3.807 5.160 . 0 0 "[ . 1]" 1
2357 2 21 ASP HA 2 21 ASP QB 2.300 . 3.000 2.086 2.012 2.142 . 0 0 "[ . 1]" 1
2358 2 26 LEU HA 2 26 LEU QB 2.100 . 2.700 2.064 2.018 2.164 . 0 0 "[ . 1]" 1
2359 2 27 PRO HD2 2 27 PRO QG 1.700 . 2.200 1.700 1.689 1.707 . 0 0 "[ . 1]" 1
2360 1 23 ARG QD 2 45 LEU HG 3.200 . 4.500 4.194 3.157 4.762 0.262 9 0 "[ . 1]" 1
2361 2 17 GLU HA 2 17 GLU HG2 2.700 . 3.600 2.531 2.210 2.986 . 0 0 "[ . 1]" 1
2362 1 45 SER HB2 2 43 LEU HG 3.500 . 5.100 3.523 2.955 3.873 . 0 0 "[ . 1]" 1
2363 2 43 LEU HB3 2 44 MET QB 3.400 . 4.800 2.899 1.891 3.848 0.109 4 0 "[ . 1]" 1
2364 2 21 ASP H 2 21 ASP QB 2.700 . 3.600 2.084 2.022 2.176 . 0 0 "[ . 1]" 1
2365 2 25 LEU H 2 25 LEU HB3 3.400 . 4.800 3.382 3.287 3.459 . 0 0 "[ . 1]" 1
2366 1 23 ARG QD 2 50 ILE MD 3.300 . 4.700 4.380 3.886 4.672 . 0 0 "[ . 1]" 1
2367 2 45 LEU QD 2 53 TRP HZ3 3.300 . 4.700 2.024 1.774 2.628 0.126 3 0 "[ . 1]" 1
2368 2 49 ASP HA 2 50 ILE HB 4.200 . 6.000 5.717 5.278 5.996 . 0 0 "[ . 1]" 1
2369 2 53 TRP H 2 53 TRP HE3 3.800 . 5.600 3.276 2.352 4.109 . 0 0 "[ . 1]" 1
2370 2 51 GLU HG2 2 55 THR MG 3.000 . 4.100 3.533 2.421 4.401 0.301 7 0 "[ . 1]" 1
2371 2 22 LEU HB2 2 22 LEU QD 2.400 . 3.100 2.019 1.970 2.066 . 0 0 "[ . 1]" 1
2372 2 20 SER HB3 2 22 LEU H 3.700 . 5.400 3.616 2.962 4.805 . 0 0 "[ . 1]" 1
2373 2 40 MET QB 2 40 MET HG2 1.900 . 2.400 1.972 1.891 2.102 . 0 0 "[ . 1]" 1
2374 2 21 ASP QB 2 22 LEU HB2 3.600 . 5.200 3.046 2.719 3.465 . 0 0 "[ . 1]" 1
2375 2 15 SER H 2 15 SER QB 3.300 . 4.700 2.382 2.118 2.593 . 0 0 "[ . 1]" 1
2376 2 48 ASP H 2 50 ILE HG12 3.800 . 5.600 3.527 2.813 4.984 . 0 0 "[ . 1]" 1
2377 2 51 GLU HB3 2 55 THR MG 3.100 . 4.300 3.985 3.500 4.575 0.275 7 0 "[ . 1]" 1
2378 2 47 PRO HA 2 48 ASP H 3.000 . 4.100 3.312 3.017 3.496 . 0 0 "[ . 1]" 1
2379 2 14 LEU HB2 2 14 LEU QD 2.100 . 2.700 1.693 1.665 1.725 . 0 0 "[ . 1]" 1
2380 1 19 VAL QG 2 44 MET HG3 4.300 . 6.000 2.805 1.444 3.555 0.556 4 1 "[ +. 1]" 1
2381 2 48 ASP HA 2 50 ILE HG13 4.000 . 6.000 5.453 5.054 5.790 . 0 0 "[ . 1]" 1
2382 2 21 ASP H 2 21 ASP HA 2.300 . 3.000 2.376 2.169 2.436 . 0 0 "[ . 1]" 1
2383 1 41 SER QB 2 40 MET HG3 3.200 . 4.500 4.482 3.546 5.153 0.653 1 2 "[+ . -]" 1
2384 2 23 TRP HA 2 23 TRP HE3 2.900 . 3.900 3.176 3.153 3.245 . 0 0 "[ . 1]" 1
2385 2 47 PRO HG3 2 50 ILE MD 3.000 . 4.100 3.362 2.981 4.150 0.050 3 0 "[ . 1]" 1
2386 2 26 LEU HA 2 26 LEU HB2 2.900 . 3.900 2.481 2.313 2.693 . 0 0 "[ . 1]" 1
2387 1 19 VAL QG 2 44 MET ME 2.200 . 2.800 2.156 1.758 2.705 . 0 0 "[ . 1]" 1
2388 1 46 GLU H 2 44 MET ME 3.000 . 4.100 3.698 3.285 3.973 . 0 0 "[ . 1]" 1
2389 2 45 LEU HA 2 50 ILE HG12 3.900 . 5.800 4.462 4.046 5.101 . 0 0 "[ . 1]" 1
2390 1 12 MET HG2 2 53 TRP HZ2 3.100 . 6.000 4.926 4.200 5.828 . 0 0 "[ . 1]" 1
2391 1 19 VAL QG 2 44 MET HG2 4.000 . 6.000 2.403 1.846 3.495 0.154 10 0 "[ . 1]" 1
2392 2 18 THR HB 2 19 PHE H 3.400 . 4.800 2.901 1.966 3.533 0.034 10 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 80
_Distance_constraint_stats_list.Viol_count 83
_Distance_constraint_stats_list.Viol_total 35.853
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0166
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0432
_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 14 SER 0.000 0.000 . 0 "[ . 1]"
1 15 TYR 1.016 0.151 7 0 "[ . 1]"
1 16 ALA 0.000 0.000 . 0 "[ . 1]"
1 17 PHE 0.000 0.000 . 0 "[ . 1]"
1 18 PHE 0.390 0.091 2 0 "[ . 1]"
1 19 VAL 1.016 0.151 7 0 "[ . 1]"
1 20 GLN 0.000 0.000 . 0 "[ . 1]"
1 21 THR 0.039 0.029 8 0 "[ . 1]"
1 22 CYS 0.487 0.091 2 0 "[ . 1]"
1 23 ARG 0.141 0.066 7 0 "[ . 1]"
1 24 GLU 0.098 0.098 6 0 "[ . 1]"
1 25 GLU 0.146 0.075 3 0 "[ . 1]"
1 26 HIS 0.097 0.059 3 0 "[ . 1]"
1 27 LYS 0.141 0.066 7 0 "[ . 1]"
1 28 LYS 0.098 0.098 6 0 "[ . 1]"
1 29 LYS 0.107 0.075 3 0 "[ . 1]"
1 37 PHE 0.010 0.010 8 0 "[ . 1]"
1 38 SER 0.125 0.040 7 0 "[ . 1]"
1 39 GLU 0.281 0.097 8 0 "[ . 1]"
1 40 PHE 0.000 0.000 . 0 "[ . 1]"
1 41 SER 0.010 0.010 8 0 "[ . 1]"
1 42 LYS 0.263 0.060 9 0 "[ . 1]"
1 43 LYS 0.345 0.097 8 0 "[ . 1]"
1 44 CYS 0.000 0.000 . 0 "[ . 1]"
1 45 SER 0.000 0.000 . 0 "[ . 1]"
1 46 GLU 0.351 0.060 9 0 "[ . 1]"
1 47 ARG 0.064 0.048 3 0 "[ . 1]"
1 48 TRP 0.000 0.000 . 0 "[ . 1]"
1 49 LYS 0.000 0.000 . 0 "[ . 1]"
1 50 THR 0.214 0.050 7 0 "[ . 1]"
1 53 ALA 0.000 0.000 . 0 "[ . 1]"
1 54 LYS 0.147 0.085 9 0 "[ . 1]"
1 55 GLU 0.027 0.013 9 0 "[ . 1]"
1 56 LYS 0.000 0.000 . 0 "[ . 1]"
1 57 GLY 0.000 0.000 . 0 "[ . 1]"
1 58 LYS 0.147 0.085 9 0 "[ . 1]"
1 59 PHE 0.035 0.013 9 0 "[ . 1]"
1 60 GLU 0.000 0.000 . 0 "[ . 1]"
1 61 ASP 0.072 0.072 8 0 "[ . 1]"
1 62 MET 0.000 0.000 . 0 "[ . 1]"
1 63 ALA 0.009 0.009 9 0 "[ . 1]"
1 64 LYS 0.119 0.095 6 0 "[ . 1]"
1 65 ALA 0.072 0.072 8 0 "[ . 1]"
1 66 ASP 0.000 0.000 . 0 "[ . 1]"
1 67 LYS 0.027 0.027 8 0 "[ . 1]"
1 68 ALA 0.129 0.095 6 0 "[ . 1]"
1 69 ARG 0.000 0.000 . 0 "[ . 1]"
1 70 TYR 0.000 0.000 . 0 "[ . 1]"
1 71 GLU 0.481 0.131 5 0 "[ . 1]"
1 72 ARG 0.010 0.010 7 0 "[ . 1]"
1 73 GLU 0.000 0.000 . 0 "[ . 1]"
1 74 MET 0.000 0.000 . 0 "[ . 1]"
1 75 LYS 0.454 0.131 5 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 14 SER O 1 18 PHE N 2.800 2.400 3.500 2.859 2.755 2.999 . 0 0 "[ . 1]" 2
2 1 14 SER O 1 18 PHE H 1.800 . 2.500 1.957 1.842 2.162 . 0 0 "[ . 1]" 2
3 1 15 TYR O 1 19 VAL N 2.800 2.400 3.500 3.520 3.454 3.596 0.096 7 0 "[ . 1]" 2
4 1 15 TYR O 1 19 VAL H 1.800 . 2.500 2.572 2.511 2.651 0.151 7 0 "[ . 1]" 2
5 1 16 ALA O 1 20 GLN N 2.800 2.400 3.500 2.771 2.669 2.984 . 0 0 "[ . 1]" 2
6 1 16 ALA O 1 20 GLN H 1.800 . 2.500 1.857 1.750 2.025 . 0 0 "[ . 1]" 2
7 1 17 PHE O 1 21 THR N 2.800 2.400 3.500 2.846 2.664 3.117 . 0 0 "[ . 1]" 2
8 1 17 PHE O 1 21 THR H 1.800 . 2.500 1.872 1.708 2.154 . 0 0 "[ . 1]" 2
9 1 18 PHE O 1 22 CYS N 2.800 2.400 3.500 3.452 3.377 3.519 0.019 2 0 "[ . 1]" 2
10 1 18 PHE O 1 22 CYS H 1.800 . 2.500 2.524 2.441 2.591 0.091 2 0 "[ . 1]" 2
11 1 19 VAL O 1 23 ARG N 2.800 2.400 3.500 2.842 2.641 3.082 . 0 0 "[ . 1]" 2
12 1 19 VAL O 1 23 ARG H 1.800 . 2.500 1.942 1.723 2.221 . 0 0 "[ . 1]" 2
13 1 20 GLN O 1 24 GLU N 2.800 2.400 3.500 2.781 2.617 3.038 . 0 0 "[ . 1]" 2
14 1 20 GLN O 1 24 GLU H 1.800 . 2.500 1.851 1.648 2.171 . 0 0 "[ . 1]" 2
15 1 21 THR O 1 25 GLU N 2.800 2.400 3.500 3.058 2.670 3.371 . 0 0 "[ . 1]" 2
16 1 21 THR O 1 25 GLU H 1.800 . 2.500 2.176 1.723 2.529 0.029 8 0 "[ . 1]" 2
17 1 22 CYS O 1 26 HIS N 2.800 2.400 3.500 3.223 2.993 3.414 . 0 0 "[ . 1]" 2
18 1 22 CYS O 1 26 HIS H 1.800 . 2.500 2.343 2.036 2.559 0.059 3 0 "[ . 1]" 2
19 1 23 ARG O 1 27 LYS N 2.800 2.400 3.500 3.137 2.719 3.389 . 0 0 "[ . 1]" 2
20 1 23 ARG O 1 27 LYS H 1.800 . 2.500 2.337 1.898 2.566 0.066 7 0 "[ . 1]" 2
21 1 24 GLU O 1 28 LYS N 2.800 2.400 3.500 2.874 2.684 3.483 . 0 0 "[ . 1]" 2
22 1 24 GLU O 1 28 LYS H 1.800 . 2.500 1.996 1.789 2.598 0.098 6 0 "[ . 1]" 2
23 1 25 GLU O 1 29 LYS N 2.800 2.400 3.500 3.145 2.945 3.433 . 0 0 "[ . 1]" 2
24 1 25 GLU O 1 29 LYS H 1.800 . 2.500 2.203 1.971 2.575 0.075 3 0 "[ . 1]" 2
25 1 37 PHE O 1 41 SER N 2.800 2.400 3.500 3.122 2.843 3.510 0.010 8 0 "[ . 1]" 2
26 1 38 SER O 1 42 LYS H 1.800 . 2.500 2.380 1.997 2.540 0.040 7 0 "[ . 1]" 2
27 1 39 GLU O 1 43 LYS N 2.800 2.400 3.500 3.286 3.005 3.549 0.049 8 0 "[ . 1]" 2
28 1 39 GLU O 1 43 LYS H 1.800 . 2.500 2.317 2.033 2.597 0.097 8 0 "[ . 1]" 2
29 1 40 PHE O 1 44 CYS N 2.800 2.400 3.500 3.036 2.889 3.165 . 0 0 "[ . 1]" 2
30 1 40 PHE O 1 44 CYS H 1.800 . 2.500 2.119 1.966 2.271 . 0 0 "[ . 1]" 2
31 1 41 SER O 1 45 SER N 2.800 2.400 3.500 2.893 2.742 3.139 . 0 0 "[ . 1]" 2
32 1 41 SER O 1 45 SER H 1.800 . 2.500 2.009 1.811 2.291 . 0 0 "[ . 1]" 2
33 1 42 LYS O 1 46 GLU N 2.800 2.400 3.500 3.243 2.959 3.534 0.034 9 0 "[ . 1]" 2
34 1 42 LYS O 1 46 GLU H 1.800 . 2.500 2.273 1.983 2.560 0.060 9 0 "[ . 1]" 2
35 1 43 LYS O 1 47 ARG N 2.800 2.400 3.500 3.045 2.863 3.357 . 0 0 "[ . 1]" 2
36 1 43 LYS O 1 47 ARG H 1.800 . 2.500 2.155 1.938 2.548 0.048 3 0 "[ . 1]" 2
37 1 44 CYS O 1 48 TRP N 2.800 2.400 3.500 2.810 2.701 2.942 . 0 0 "[ . 1]" 2
38 1 44 CYS O 1 48 TRP H 1.800 . 2.500 1.863 1.736 2.064 . 0 0 "[ . 1]" 2
39 1 45 SER O 1 49 LYS N 2.800 2.400 3.500 3.021 2.848 3.283 . 0 0 "[ . 1]" 2
40 1 45 SER O 1 49 LYS H 1.800 . 2.500 2.076 1.868 2.325 . 0 0 "[ . 1]" 2
41 1 46 GLU O 1 50 THR N 2.800 2.400 3.500 3.210 3.080 3.408 . 0 0 "[ . 1]" 2
42 1 46 GLU O 1 50 THR H 1.800 . 2.500 2.450 2.129 2.550 0.050 7 0 "[ . 1]" 2
43 1 53 ALA O 1 57 GLY N 2.800 2.400 3.500 2.772 2.681 2.950 . 0 0 "[ . 1]" 2
44 1 53 ALA O 1 57 GLY H 1.800 . 2.500 1.855 1.756 2.072 . 0 0 "[ . 1]" 2
45 1 54 LYS O 1 58 LYS N 2.800 2.400 3.500 3.119 2.878 3.383 . 0 0 "[ . 1]" 2
46 1 54 LYS O 1 58 LYS H 1.800 . 2.500 2.281 2.030 2.585 0.085 9 0 "[ . 1]" 2
47 1 55 GLU O 1 59 PHE N 2.800 2.400 3.500 3.190 2.932 3.425 . 0 0 "[ . 1]" 2
48 1 55 GLU O 1 59 PHE H 1.800 . 2.500 2.264 1.983 2.513 0.013 9 0 "[ . 1]" 2
49 1 56 LYS O 1 60 GLU N 2.800 2.400 3.500 2.932 2.786 3.009 . 0 0 "[ . 1]" 2
50 1 56 LYS O 1 60 GLU H 1.800 . 2.500 2.054 1.854 2.239 . 0 0 "[ . 1]" 2
51 1 57 GLY O 1 61 ASP N 2.800 2.400 3.500 2.825 2.721 3.055 . 0 0 "[ . 1]" 2
52 1 57 GLY O 1 61 ASP H 1.800 . 2.500 1.946 1.826 2.224 . 0 0 "[ . 1]" 2
53 1 58 LYS O 1 62 MET N 2.800 2.400 3.500 3.095 2.951 3.326 . 0 0 "[ . 1]" 2
54 1 58 LYS O 1 62 MET H 1.800 . 2.500 2.162 1.997 2.443 . 0 0 "[ . 1]" 2
55 1 59 PHE O 1 63 ALA N 2.800 2.400 3.500 2.979 2.828 3.278 . 0 0 "[ . 1]" 2
56 1 59 PHE O 1 63 ALA H 1.800 . 2.500 2.138 1.972 2.509 0.009 9 0 "[ . 1]" 2
57 1 60 GLU O 1 64 LYS N 2.800 2.400 3.500 2.960 2.690 3.273 . 0 0 "[ . 1]" 2
58 1 60 GLU O 1 64 LYS H 1.800 . 2.500 2.048 1.754 2.383 . 0 0 "[ . 1]" 2
59 1 61 ASP O 1 65 ALA N 2.800 2.400 3.500 3.068 2.738 3.451 . 0 0 "[ . 1]" 2
60 1 61 ASP O 1 65 ALA H 1.800 . 2.500 2.206 1.845 2.572 0.072 8 0 "[ . 1]" 2
61 1 62 MET O 1 66 ASP N 2.800 2.400 3.500 3.031 2.851 3.347 . 0 0 "[ . 1]" 2
62 1 62 MET O 1 66 ASP H 1.800 . 2.500 2.097 1.868 2.385 . 0 0 "[ . 1]" 2
63 1 63 ALA O 1 67 LYS N 2.800 2.400 3.500 2.840 2.729 3.153 . 0 0 "[ . 1]" 2
64 1 63 ALA O 1 67 LYS H 1.800 . 2.500 1.966 1.784 2.278 . 0 0 "[ . 1]" 2
65 1 64 LYS O 1 68 ALA N 2.800 2.400 3.500 3.119 2.772 3.514 0.014 6 0 "[ . 1]" 2
66 1 64 LYS O 1 68 ALA H 1.800 . 2.500 2.205 1.808 2.595 0.095 6 0 "[ . 1]" 2
67 1 65 ALA O 1 69 ARG N 2.800 2.400 3.500 3.084 2.853 3.273 . 0 0 "[ . 1]" 2
68 1 65 ALA O 1 69 ARG H 1.800 . 2.500 2.176 1.895 2.374 . 0 0 "[ . 1]" 2
69 1 66 ASP O 1 70 TYR N 2.800 2.400 3.500 2.690 2.566 2.803 . 0 0 "[ . 1]" 2
70 1 66 ASP O 1 70 TYR H 1.800 . 2.500 1.776 1.624 1.881 . 0 0 "[ . 1]" 2
71 1 67 LYS O 1 71 GLU N 2.800 2.400 3.500 3.039 2.667 3.406 . 0 0 "[ . 1]" 2
72 1 67 LYS O 1 71 GLU H 1.800 . 2.500 2.121 1.712 2.527 0.027 8 0 "[ . 1]" 2
73 1 68 ALA O 1 72 ARG N 2.800 2.400 3.500 3.035 2.840 3.433 . 0 0 "[ . 1]" 2
74 1 68 ALA O 1 72 ARG H 1.800 . 2.500 2.098 1.866 2.510 0.010 7 0 "[ . 1]" 2
75 1 69 ARG O 1 73 GLU N 2.800 2.400 3.500 2.853 2.597 3.276 . 0 0 "[ . 1]" 2
76 1 69 ARG O 1 73 GLU H 1.800 . 2.500 1.926 1.668 2.340 . 0 0 "[ . 1]" 2
77 1 70 TYR O 1 74 MET N 2.800 2.400 3.500 2.805 2.600 3.245 . 0 0 "[ . 1]" 2
78 1 70 TYR O 1 74 MET H 1.800 . 2.500 1.907 1.639 2.392 . 0 0 "[ . 1]" 2
79 1 71 GLU O 1 75 LYS N 2.800 2.400 3.500 3.338 3.261 3.495 . 0 0 "[ . 1]" 2
80 1 71 GLU O 1 75 LYS H 1.800 . 2.500 2.534 2.443 2.631 0.131 5 0 "[ . 1]" 2
stop_
save_
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