Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
546383 | 2lsr RC | 18441 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lsr
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 1362
_Distance_constraint_stats_list.Viol_count 1567
_Distance_constraint_stats_list.Viol_total 1208.949
_Distance_constraint_stats_list.Viol_max 0.295
_Distance_constraint_stats_list.Viol_rms 0.0131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0386
_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 ASP 0.102 0.039 4 0 "[ . 1 . 2]"
1 3 ARG 0.525 0.061 14 0 "[ . 1 . 2]"
1 4 LYS 0.607 0.061 14 0 "[ . 1 . 2]"
1 5 VAL 0.800 0.036 18 0 "[ . 1 . 2]"
1 6 ALA 4.173 0.166 19 0 "[ . 1 . 2]"
1 7 ARG 1.889 0.048 2 0 "[ . 1 . 2]"
1 8 GLU 2.388 0.071 1 0 "[ . 1 . 2]"
1 9 PHE 5.925 0.095 9 0 "[ . 1 . 2]"
1 10 ARG 1.162 0.067 16 0 "[ . 1 . 2]"
1 11 HIS 2.450 0.071 1 0 "[ . 1 . 2]"
1 12 LYS 0.594 0.042 5 0 "[ . 1 . 2]"
1 13 VAL 4.384 0.295 8 0 "[ . 1 . 2]"
1 14 ASP 0.320 0.023 4 0 "[ . 1 . 2]"
1 15 PHE 0.319 0.023 4 0 "[ . 1 . 2]"
1 16 LEU 0.394 0.032 3 0 "[ . 1 . 2]"
1 17 ILE 4.075 0.156 6 0 "[ . 1 . 2]"
1 18 GLU 2.439 0.144 6 0 "[ . 1 . 2]"
1 19 ASN 0.100 0.020 13 0 "[ . 1 . 2]"
1 20 ASP 0.008 0.007 9 0 "[ . 1 . 2]"
1 21 ALA 2.282 0.074 3 0 "[ . 1 . 2]"
1 22 GLU 2.851 0.124 8 0 "[ . 1 . 2]"
1 23 LYS 0.008 0.007 9 0 "[ . 1 . 2]"
1 24 ASP 1.300 0.074 3 0 "[ . 1 . 2]"
1 25 TYR 0.325 0.026 5 0 "[ . 1 . 2]"
1 26 LEU 0.991 0.164 15 0 "[ . 1 . 2]"
1 27 TYR 0.644 0.041 15 0 "[ . 1 . 2]"
1 28 ASP 0.817 0.041 15 0 "[ . 1 . 2]"
1 29 VAL 3.428 0.173 3 0 "[ . 1 . 2]"
1 30 LEU 3.181 0.170 18 0 "[ . 1 . 2]"
1 31 ARG 0.515 0.044 4 0 "[ . 1 . 2]"
1 32 MET 0.330 0.083 6 0 "[ . 1 . 2]"
1 33 TYR 0.431 0.090 1 0 "[ . 1 . 2]"
1 34 HIS 1.027 0.056 2 0 "[ . 1 . 2]"
1 35 GLN 0.654 0.056 2 0 "[ . 1 . 2]"
1 36 THR 1.285 0.089 6 0 "[ . 1 . 2]"
1 37 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.472 0.051 12 0 "[ . 1 . 2]"
1 39 VAL 0.339 0.055 2 0 "[ . 1 . 2]"
1 40 ALA 2.315 0.069 1 0 "[ . 1 . 2]"
1 41 VAL 1.188 0.069 1 0 "[ . 1 . 2]"
1 42 LEU 2.625 0.173 3 0 "[ . 1 . 2]"
1 43 VAL 0.540 0.078 2 0 "[ . 1 . 2]"
1 44 GLY 0.023 0.009 1 0 "[ . 1 . 2]"
1 45 ASP 1.504 0.165 8 0 "[ . 1 . 2]"
1 46 LEU 3.236 0.143 6 0 "[ . 1 . 2]"
1 47 LYS 1.495 0.050 1 0 "[ . 1 . 2]"
1 48 LEU 0.891 0.045 3 0 "[ . 1 . 2]"
1 49 VAL 0.474 0.164 15 0 "[ . 1 . 2]"
1 50 ILE 3.161 0.143 6 0 "[ . 1 . 2]"
1 51 ASN 0.570 0.044 1 0 "[ . 1 . 2]"
1 52 GLU 2.288 0.115 4 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.605 0.044 14 0 "[ . 1 . 2]"
1 55 ARG 2.674 0.128 8 0 "[ . 1 . 2]"
1 56 LEU 0.124 0.026 3 0 "[ . 1 . 2]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 5.033 0.295 8 0 "[ . 1 . 2]"
1 59 PHE 0.056 0.056 1 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 3.778 0.170 18 0 "[ . 1 . 2]"
1 63 ARG 1.156 0.079 6 0 "[ . 1 . 2]"
1 64 PRO 0.175 0.079 6 0 "[ . 1 . 2]"
1 65 LEU 3.734 0.248 4 0 "[ . 1 . 2]"
1 66 ILE 0.583 0.120 16 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.591 0.033 9 0 "[ . 1 . 2]"
1 69 LYS 0.332 0.033 9 0 "[ . 1 . 2]"
1 70 HIS 0.659 0.120 16 0 "[ . 1 . 2]"
1 71 GLN 0.886 0.054 12 0 "[ . 1 . 2]"
1 72 VAL 1.238 0.054 12 0 "[ . 1 . 2]"
1 73 GLU 0.602 0.040 13 0 "[ . 1 . 2]"
1 74 TYR 0.745 0.045 17 0 "[ . 1 . 2]"
1 75 ASP 0.620 0.045 17 0 "[ . 1 . 2]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.223 0.078 2 0 "[ . 1 . 2]"
1 78 THR 0.062 0.015 17 0 "[ . 1 . 2]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 SER 0.102 0.037 8 0 "[ . 1 . 2]"
2 3 LEU 0.554 0.103 15 0 "[ . 1 . 2]"
2 4 LEU 1.099 0.119 20 0 "[ . 1 . 2]"
2 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 GLU 0.392 0.038 15 0 "[ . 1 . 2]"
2 7 VAL 7.241 0.248 4 0 "[ . 1 . 2]"
2 8 LEU 0.999 0.087 8 0 "[ . 1 . 2]"
2 9 GLU 0.375 0.025 10 0 "[ . 1 . 2]"
2 10 ASP 0.784 0.072 18 0 "[ . 1 . 2]"
2 11 TYR 1.381 0.072 18 0 "[ . 1 . 2]"
2 12 LEU 1.196 0.059 20 0 "[ . 1 . 2]"
2 13 ARG 2.108 0.129 16 0 "[ . 1 . 2]"
2 14 LEU 0.259 0.053 13 0 "[ . 1 . 2]"
2 15 LYS 2.632 0.142 12 0 "[ . 1 . 2]"
2 16 LYS 0.771 0.044 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP HA 1 3 ARG H 3.500 . 3.500 2.727 2.147 3.539 0.039 4 0 "[ . 1 . 2]" 1
2 1 2 ASP HA 1 5 VAL H 5.000 . 5.000 4.068 3.450 4.972 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP QB 1 3 ARG H 3.500 . 4.500 3.239 2.100 4.030 . 0 0 "[ . 1 . 2]" 1
4 1 3 ARG HA 1 4 LYS H 3.500 . 3.500 3.515 3.488 3.561 0.061 14 0 "[ . 1 . 2]" 1
5 1 3 ARG HA 1 6 ALA H 3.500 . 3.500 3.471 3.346 3.525 0.025 6 0 "[ . 1 . 2]" 1
6 1 3 ARG H 1 3 ARG QB 3.500 . 4.100 2.543 2.055 3.362 . 0 0 "[ . 1 . 2]" 1
7 1 3 ARG QB 1 4 LYS H 2.900 . 3.900 2.743 2.400 3.405 . 0 0 "[ . 1 . 2]" 1
8 1 3 ARG H 1 3 ARG QD 5.000 . 6.000 4.178 2.043 5.377 . 0 0 "[ . 1 . 2]" 1
9 1 3 ARG H 1 3 ARG QG 3.500 . 4.500 3.579 2.411 4.073 . 0 0 "[ . 1 . 2]" 1
10 1 3 ARG QG 1 4 LYS H 5.000 . 6.000 4.176 1.977 4.624 . 0 0 "[ . 1 . 2]" 1
11 1 3 ARG H 2 3 LEU QD 5.000 . 7.400 4.022 2.604 5.043 . 0 0 "[ . 1 . 2]" 1
12 1 4 LYS HA 1 5 VAL H 3.500 . 3.500 3.510 3.499 3.536 0.036 18 0 "[ . 1 . 2]" 1
13 1 4 LYS HA 1 7 ARG H 3.500 . 3.500 3.485 3.377 3.511 0.011 16 0 "[ . 1 . 2]" 1
14 1 4 LYS H 1 4 LYS QB 2.900 . 3.500 2.239 2.041 2.656 . 0 0 "[ . 1 . 2]" 1
15 1 4 LYS QB 1 5 VAL H 2.900 . 3.900 2.795 2.571 3.456 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS QD 1 5 VAL H 5.000 . 6.000 4.750 3.834 5.333 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS QG 1 5 VAL H 5.000 . 6.000 4.077 1.973 4.591 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS H 1 5 VAL H 3.500 . 3.500 2.658 2.523 2.750 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL HA 1 6 ALA H 3.500 . 3.500 3.517 3.507 3.531 0.031 15 0 "[ . 1 . 2]" 1
20 1 5 VAL HA 1 7 ARG H 5.000 . 5.000 4.763 4.730 4.783 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL HA 1 8 GLU H 3.500 . 3.500 3.512 3.505 3.521 0.021 18 0 "[ . 1 . 2]" 1
22 1 5 VAL HA 1 9 PHE H 5.000 . 5.000 3.995 3.825 4.178 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL H 1 5 VAL HB 2.900 . 2.900 2.635 2.579 2.676 . 0 0 "[ . 1 . 2]" 1
24 1 5 VAL HB 1 6 ALA H 2.900 . 2.900 2.681 2.557 2.749 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL H 1 5 VAL QG 2.900 . 4.600 2.044 1.945 2.183 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL QG 1 6 ALA H 2.900 . 5.300 3.295 3.248 3.333 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL QG 1 9 PHE H 3.500 . 5.900 3.871 3.751 4.001 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL H 1 6 ALA H 3.500 . 3.500 2.678 2.574 2.763 . 0 0 "[ . 1 . 2]" 1
29 1 6 ALA H 1 6 ALA HA 2.900 . 2.900 2.833 2.821 2.842 . 0 0 "[ . 1 . 2]" 1
30 1 6 ALA HA 1 7 ARG H 3.500 . 3.500 3.543 3.539 3.546 0.046 5 0 "[ . 1 . 2]" 1
31 1 6 ALA HA 1 9 PHE H 3.500 . 3.500 3.553 3.537 3.575 0.075 9 0 "[ . 1 . 2]" 1
32 1 6 ALA MB 2 7 VAL H 3.500 . 5.000 3.364 3.211 3.561 . 0 0 "[ . 1 . 2]" 1
33 1 6 ALA MB 2 10 ASP H 5.000 . 6.500 5.164 4.753 5.314 . 0 0 "[ . 1 . 2]" 1
34 1 6 ALA MB 1 10 ARG H 5.000 . 6.500 4.423 4.400 4.451 . 0 0 "[ . 1 . 2]" 1
35 1 6 ALA H 1 6 ALA MB 2.900 . 4.000 2.113 2.097 2.165 . 0 0 "[ . 1 . 2]" 1
36 1 6 ALA MB 1 7 ARG H 2.900 . 4.400 2.481 2.438 2.513 . 0 0 "[ . 1 . 2]" 1
37 1 6 ALA MB 1 8 GLU H 3.500 . 5.000 4.200 4.191 4.211 . 0 0 "[ . 1 . 2]" 1
38 1 6 ALA MB 1 9 PHE H 5.000 . 6.500 4.696 4.662 4.722 . 0 0 "[ . 1 . 2]" 1
39 1 6 ALA H 2 3 LEU QD 3.500 . 5.900 3.796 3.326 4.270 . 0 0 "[ . 1 . 2]" 1
40 1 6 ALA H 1 7 ARG H 2.900 . 2.900 2.676 2.630 2.709 . 0 0 "[ . 1 . 2]" 1
41 1 6 ALA H 1 8 GLU H 5.000 . 5.000 3.720 3.681 3.772 . 0 0 "[ . 1 . 2]" 1
42 1 7 ARG HA 1 10 ARG H 3.500 . 3.500 3.512 3.489 3.532 0.032 8 0 "[ . 1 . 2]" 1
43 1 7 ARG HA 1 11 HIS H 3.500 . 3.500 3.536 3.522 3.548 0.048 2 0 "[ . 1 . 2]" 1
44 1 7 ARG H 1 7 ARG HA 2.900 . 2.900 2.828 2.817 2.838 . 0 0 "[ . 1 . 2]" 1
45 1 7 ARG HA 1 8 GLU H 3.500 . 3.500 3.466 3.461 3.471 . 0 0 "[ . 1 . 2]" 1
46 1 7 ARG H 1 7 ARG QB 2.900 . 3.500 2.148 2.048 2.256 . 0 0 "[ . 1 . 2]" 1
47 1 7 ARG QB 1 8 GLU H 2.900 . 3.900 2.919 2.874 2.992 . 0 0 "[ . 1 . 2]" 1
48 1 7 ARG H 1 7 ARG QD 5.000 . 6.000 3.938 3.294 4.329 . 0 0 "[ . 1 . 2]" 1
49 1 7 ARG QG 1 11 HIS H 5.000 . 6.000 4.181 3.772 4.588 . 0 0 "[ . 1 . 2]" 1
50 1 7 ARG H 1 7 ARG QG 3.500 . 4.500 3.883 3.326 4.056 . 0 0 "[ . 1 . 2]" 1
51 1 7 ARG QG 1 8 GLU H 5.000 . 6.000 4.336 4.057 4.555 . 0 0 "[ . 1 . 2]" 1
52 1 7 ARG H 2 7 VAL QG 5.000 . 7.400 4.127 3.882 4.350 . 0 0 "[ . 1 . 2]" 1
53 1 7 ARG H 1 8 GLU H 2.900 . 2.900 2.553 2.525 2.590 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLU HA 1 11 HIS H 3.500 . 3.500 3.556 3.535 3.571 0.071 1 0 "[ . 1 . 2]" 1
55 1 8 GLU H 1 8 GLU HA 2.900 . 2.900 2.847 2.840 2.855 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLU HA 1 9 PHE H 3.500 . 3.500 3.551 3.545 3.555 0.055 9 0 "[ . 1 . 2]" 1
57 1 8 GLU H 1 8 GLU QB 2.900 . 3.500 2.175 2.077 2.276 . 0 0 "[ . 1 . 2]" 1
58 1 8 GLU QB 1 9 PHE H 3.500 . 4.500 2.499 2.389 2.622 . 0 0 "[ . 1 . 2]" 1
59 1 8 GLU H 1 8 GLU QG 3.500 . 4.500 3.510 2.779 4.055 . 0 0 "[ . 1 . 2]" 1
60 1 8 GLU QG 1 9 PHE H 5.000 . 6.000 4.130 3.626 4.438 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLU H 1 9 PHE QB 5.000 . 6.000 4.529 4.451 4.589 . 0 0 "[ . 1 . 2]" 1
62 1 8 GLU H 1 9 PHE H 2.900 . 2.900 2.608 2.550 2.640 . 0 0 "[ . 1 . 2]" 1
63 1 9 PHE HA 1 10 ARG H 5.000 . 5.000 3.534 3.524 3.553 . 0 0 "[ . 1 . 2]" 1
64 1 9 PHE HA 1 12 LYS H 5.000 . 5.000 3.313 3.249 3.411 . 0 0 "[ . 1 . 2]" 1
65 1 9 PHE QB 1 10 ARG H 2.900 . 3.900 3.291 3.261 3.331 . 0 0 "[ . 1 . 2]" 1
66 1 9 PHE H 1 9 PHE QB 2.900 . 3.500 2.196 2.175 2.220 . 0 0 "[ . 1 . 2]" 1
67 1 9 PHE QD 1 10 ARG H 3.500 . 5.500 3.184 3.166 3.200 . 0 0 "[ . 1 . 2]" 1
68 1 9 PHE QD 1 13 VAL H 5.000 . 7.000 4.078 3.924 4.218 . 0 0 "[ . 1 . 2]" 1
69 1 9 PHE H 1 9 PHE QD 3.500 . 5.500 3.198 3.075 3.269 . 0 0 "[ . 1 . 2]" 1
70 1 9 PHE QE 1 10 ARG H 5.000 . 7.000 4.100 4.088 4.116 . 0 0 "[ . 1 . 2]" 1
71 1 9 PHE QE 1 62 ILE H 5.000 . 7.000 4.150 3.882 4.344 . 0 0 "[ . 1 . 2]" 1
72 1 9 PHE H 1 10 ARG H 3.500 . 3.500 2.531 2.496 2.568 . 0 0 "[ . 1 . 2]" 1
73 1 9 PHE H 1 11 HIS H 5.000 . 5.000 3.977 3.877 4.082 . 0 0 "[ . 1 . 2]" 1
74 1 9 PHE HZ 1 10 ARG H 5.000 . 5.000 5.039 5.022 5.060 0.060 11 0 "[ . 1 . 2]" 1
75 1 9 PHE HZ 1 62 ILE H 5.000 . 5.000 5.056 5.040 5.075 0.075 1 0 "[ . 1 . 2]" 1
76 1 10 ARG HA 1 11 HIS H 5.000 . 5.000 3.550 3.530 3.568 . 0 0 "[ . 1 . 2]" 1
77 1 10 ARG HA 1 13 VAL H 5.000 . 5.000 3.271 3.090 3.376 . 0 0 "[ . 1 . 2]" 1
78 1 10 ARG HA 1 14 ASP H 5.000 . 5.000 4.479 4.341 4.536 . 0 0 "[ . 1 . 2]" 1
79 1 10 ARG H 1 10 ARG QB 3.500 . 4.100 2.216 2.117 2.250 . 0 0 "[ . 1 . 2]" 1
80 1 10 ARG QB 1 11 HIS H 3.500 . 4.500 2.578 2.449 3.471 . 0 0 "[ . 1 . 2]" 1
81 1 10 ARG H 1 10 ARG QG 3.500 . 4.500 3.911 2.795 4.059 . 0 0 "[ . 1 . 2]" 1
82 1 10 ARG QG 1 11 HIS H 5.000 . 6.000 3.843 2.001 4.364 . 0 0 "[ . 1 . 2]" 1
83 1 10 ARG QG 1 14 ASP H 5.000 . 6.000 4.350 4.068 5.185 . 0 0 "[ . 1 . 2]" 1
84 1 10 ARG H 2 7 VAL QG 5.000 . 7.400 3.472 3.350 3.572 . 0 0 "[ . 1 . 2]" 1
85 1 10 ARG H 1 11 HIS H 2.900 . 2.900 2.697 2.622 2.752 . 0 0 "[ . 1 . 2]" 1
86 1 10 ARG H 1 65 LEU QD 5.000 . 7.400 5.109 4.937 5.205 . 0 0 "[ . 1 . 2]" 1
87 1 11 HIS H 1 11 HIS HA 2.900 . 2.900 2.804 2.794 2.822 . 0 0 "[ . 1 . 2]" 1
88 1 11 HIS HA 1 12 LYS H 3.500 . 3.500 3.523 3.508 3.539 0.039 15 0 "[ . 1 . 2]" 1
89 1 11 HIS HA 1 14 ASP H 3.500 . 3.500 3.444 3.341 3.501 0.001 19 0 "[ . 1 . 2]" 1
90 1 11 HIS H 1 11 HIS QB 2.900 . 3.500 2.246 2.208 2.269 . 0 0 "[ . 1 . 2]" 1
91 1 11 HIS QB 1 12 LYS H 3.500 . 4.500 2.554 2.460 2.671 . 0 0 "[ . 1 . 2]" 1
92 1 11 HIS H 1 11 HIS HD2 5.000 . 5.000 4.412 2.709 5.006 0.006 15 0 "[ . 1 . 2]" 1
93 1 11 HIS HD2 1 12 LYS H 5.000 . 5.000 4.643 3.606 5.042 0.042 5 0 "[ . 1 . 2]" 1
94 1 11 HIS H 1 12 LYS QG 5.000 . 6.000 4.612 4.339 5.123 . 0 0 "[ . 1 . 2]" 1
95 1 11 HIS H 1 12 LYS H 2.900 . 2.900 2.677 2.624 2.733 . 0 0 "[ . 1 . 2]" 1
96 1 11 HIS H 1 14 ASP QB 5.000 . 6.000 5.246 5.105 5.305 . 0 0 "[ . 1 . 2]" 1
97 1 12 LYS H 1 12 LYS HA 2.900 . 2.900 2.809 2.800 2.817 . 0 0 "[ . 1 . 2]" 1
98 1 12 LYS HA 1 13 VAL H 5.000 . 5.000 3.510 3.488 3.521 . 0 0 "[ . 1 . 2]" 1
99 1 12 LYS HA 1 14 ASP H 5.000 . 5.000 4.515 4.430 4.600 . 0 0 "[ . 1 . 2]" 1
100 1 12 LYS HA 1 15 PHE H 5.000 . 5.000 3.394 3.328 3.481 . 0 0 "[ . 1 . 2]" 1
101 1 12 LYS HA 1 16 LEU H 5.000 . 5.000 4.187 4.022 4.386 . 0 0 "[ . 1 . 2]" 1
102 1 12 LYS H 1 12 LYS QB 2.900 . 3.500 2.326 2.141 2.444 . 0 0 "[ . 1 . 2]" 1
103 1 12 LYS QB 1 13 VAL H 2.900 . 3.900 2.767 2.638 3.458 . 0 0 "[ . 1 . 2]" 1
104 1 12 LYS H 1 12 LYS QE 5.000 . 6.000 4.884 3.766 5.320 . 0 0 "[ . 1 . 2]" 1
105 1 12 LYS H 1 12 LYS QG 3.500 . 4.500 2.487 2.199 3.045 . 0 0 "[ . 1 . 2]" 1
106 1 12 LYS H 1 13 VAL QG 5.000 . 7.400 3.891 3.833 3.969 . 0 0 "[ . 1 . 2]" 1
107 1 12 LYS H 1 14 ASP H 5.000 . 5.000 4.355 4.235 4.402 . 0 0 "[ . 1 . 2]" 1
108 1 13 VAL HA 1 14 ASP H 5.000 . 5.000 3.558 3.552 3.566 . 0 0 "[ . 1 . 2]" 1
109 1 13 VAL HA 1 17 ILE H 5.000 . 5.000 4.464 4.413 4.525 . 0 0 "[ . 1 . 2]" 1
110 1 13 VAL H 1 13 VAL HB 2.900 . 2.900 2.606 2.556 2.629 . 0 0 "[ . 1 . 2]" 1
111 1 13 VAL HB 1 14 ASP H 2.900 . 2.900 2.421 2.339 2.520 . 0 0 "[ . 1 . 2]" 1
112 1 13 VAL H 1 13 VAL QG 2.900 . 4.600 2.084 1.942 2.244 . 0 0 "[ . 1 . 2]" 1
113 1 13 VAL QG 1 14 ASP H 3.500 . 5.900 3.165 3.128 3.210 . 0 0 "[ . 1 . 2]" 1
114 1 13 VAL H 1 14 ASP H 2.900 . 2.900 2.736 2.674 2.792 . 0 0 "[ . 1 . 2]" 1
115 1 13 VAL H 1 58 LEU QD 5.000 . 7.400 3.833 3.582 4.524 . 0 0 "[ . 1 . 2]" 1
116 1 14 ASP H 1 14 ASP HA 2.900 . 2.900 2.794 2.792 2.797 . 0 0 "[ . 1 . 2]" 1
117 1 14 ASP HA 1 15 PHE H 3.500 . 3.500 3.516 3.503 3.523 0.023 4 0 "[ . 1 . 2]" 1
118 1 14 ASP H 1 14 ASP QB 2.900 . 3.500 2.234 2.132 2.259 . 0 0 "[ . 1 . 2]" 1
119 1 14 ASP QB 1 15 PHE H 3.500 . 4.500 2.587 2.513 2.683 . 0 0 "[ . 1 . 2]" 1
120 1 14 ASP H 1 15 PHE H 2.900 . 2.900 2.687 2.661 2.710 . 0 0 "[ . 1 . 2]" 1
121 1 15 PHE H 1 15 PHE HA 2.900 . 2.900 2.842 2.840 2.846 . 0 0 "[ . 1 . 2]" 1
122 1 15 PHE HA 1 16 LEU H 5.000 . 5.000 3.509 3.489 3.538 . 0 0 "[ . 1 . 2]" 1
123 1 15 PHE H 1 15 PHE QB 2.900 . 3.500 2.231 2.203 2.245 . 0 0 "[ . 1 . 2]" 1
124 1 15 PHE QB 1 16 LEU H 3.500 . 4.500 2.755 2.628 2.860 . 0 0 "[ . 1 . 2]" 1
125 1 15 PHE H 1 15 PHE QD 2.900 . 4.900 4.151 4.128 4.178 . 0 0 "[ . 1 . 2]" 1
126 1 15 PHE QD 1 16 LEU H 5.000 . 7.000 3.582 3.175 4.147 . 0 0 "[ . 1 . 2]" 1
127 1 15 PHE H 1 16 LEU QD 5.000 . 7.400 4.621 4.397 4.907 . 0 0 "[ . 1 . 2]" 1
128 1 16 LEU H 1 16 LEU HA 2.900 . 2.900 2.919 2.902 2.932 0.032 3 0 "[ . 1 . 2]" 1
129 1 16 LEU HA 1 17 ILE H 3.500 . 3.500 3.206 3.164 3.284 . 0 0 "[ . 1 . 2]" 1
130 1 16 LEU H 1 16 LEU QB 2.900 . 3.500 2.496 2.353 2.628 . 0 0 "[ . 1 . 2]" 1
131 1 16 LEU QB 1 17 ILE H 3.500 . 4.500 3.522 3.400 3.596 . 0 0 "[ . 1 . 2]" 1
132 1 16 LEU H 1 16 LEU QD 3.500 . 5.200 3.223 2.973 3.431 . 0 0 "[ . 1 . 2]" 1
133 1 16 LEU H 1 16 LEU HG 2.900 . 2.900 2.517 2.248 2.894 . 0 0 "[ . 1 . 2]" 1
134 1 16 LEU H 1 17 ILE MD 5.000 . 6.500 5.121 4.834 5.207 . 0 0 "[ . 1 . 2]" 1
135 1 16 LEU H 1 17 ILE H 2.900 . 2.900 2.478 2.391 2.553 . 0 0 "[ . 1 . 2]" 1
136 1 17 ILE H 1 17 ILE HA 2.900 . 2.900 2.884 2.877 2.896 . 0 0 "[ . 1 . 2]" 1
137 1 17 ILE HA 1 18 GLU H 2.900 . 2.900 2.392 2.349 2.405 . 0 0 "[ . 1 . 2]" 1
138 1 17 ILE HA 1 19 ASN H 3.500 . 3.500 3.296 2.940 3.450 . 0 0 "[ . 1 . 2]" 1
139 1 17 ILE H 1 17 ILE HB 2.900 . 2.900 2.825 2.779 2.852 . 0 0 "[ . 1 . 2]" 1
140 1 17 ILE H 1 17 ILE MD 3.500 . 5.000 3.984 3.908 4.187 . 0 0 "[ . 1 . 2]" 1
141 1 17 ILE MD 1 18 GLU H 5.000 . 6.500 4.132 4.040 5.529 . 0 0 "[ . 1 . 2]" 1
142 1 17 ILE MD 1 19 ASN H 5.000 . 6.500 4.337 3.918 5.437 . 0 0 "[ . 1 . 2]" 1
143 1 17 ILE MD 1 22 GLU H 5.000 . 6.500 4.854 4.460 5.290 . 0 0 "[ . 1 . 2]" 1
144 1 17 ILE MD 1 23 LYS H 5.000 . 6.500 4.857 4.135 5.069 . 0 0 "[ . 1 . 2]" 1
145 1 17 ILE H 1 17 ILE QG 2.900 . 3.900 3.193 3.123 3.251 . 0 0 "[ . 1 . 2]" 1
146 1 17 ILE QG 1 18 GLU H 5.000 . 6.000 4.707 4.324 4.744 . 0 0 "[ . 1 . 2]" 1
147 1 17 ILE H 1 17 ILE MG 2.900 . 4.400 3.835 3.818 3.853 . 0 0 "[ . 1 . 2]" 1
148 1 17 ILE MG 1 18 GLU H 2.900 . 4.400 3.635 3.611 3.657 . 0 0 "[ . 1 . 2]" 1
149 1 17 ILE MG 1 19 ASN H 2.900 . 4.400 2.925 2.501 3.244 . 0 0 "[ . 1 . 2]" 1
150 1 17 ILE MG 1 22 GLU H 3.500 . 5.000 3.572 3.285 3.746 . 0 0 "[ . 1 . 2]" 1
151 1 17 ILE MG 1 23 LYS H 3.500 . 5.000 2.857 2.393 3.023 . 0 0 "[ . 1 . 2]" 1
152 1 17 ILE MG 1 24 ASP H 5.000 . 6.500 4.825 4.337 4.976 . 0 0 "[ . 1 . 2]" 1
153 1 17 ILE H 1 18 GLU H 2.900 . 2.900 3.017 3.008 3.044 0.144 6 0 "[ . 1 . 2]" 1
154 1 17 ILE H 1 23 LYS QE 5.000 . 6.000 4.356 3.934 4.913 . 0 0 "[ . 1 . 2]" 1
155 1 17 ILE H 1 23 LYS QG 5.000 . 6.000 5.336 5.059 5.412 . 0 0 "[ . 1 . 2]" 1
156 1 18 GLU H 1 18 GLU HA 2.900 . 2.900 2.795 2.752 2.881 . 0 0 "[ . 1 . 2]" 1
157 1 18 GLU HA 1 19 ASN H 3.500 . 3.500 3.484 3.302 3.520 0.020 13 0 "[ . 1 . 2]" 1
158 1 18 GLU H 1 18 GLU QB 2.900 . 3.500 2.534 2.239 2.681 . 0 0 "[ . 1 . 2]" 1
159 1 18 GLU QB 1 19 ASN H 2.900 . 3.900 3.113 2.582 3.576 . 0 0 "[ . 1 . 2]" 1
160 1 18 GLU H 1 18 GLU QG 3.500 . 4.500 2.361 1.957 4.014 . 0 0 "[ . 1 . 2]" 1
161 1 18 GLU QG 1 19 ASN H 3.500 . 4.500 3.113 1.992 4.049 . 0 0 "[ . 1 . 2]" 1
162 1 18 GLU H 1 19 ASN QB 5.000 . 6.000 4.446 4.048 4.692 . 0 0 "[ . 1 . 2]" 1
163 1 18 GLU H 1 19 ASN H 2.900 . 2.900 2.675 2.398 2.778 . 0 0 "[ . 1 . 2]" 1
164 1 19 ASN HA 1 20 ASP H 3.500 . 3.500 2.560 2.143 3.463 . 0 0 "[ . 1 . 2]" 1
165 1 19 ASN HA 1 21 ALA H 5.000 . 5.000 4.204 3.698 4.416 . 0 0 "[ . 1 . 2]" 1
166 1 19 ASN H 1 19 ASN QB 2.900 . 3.500 2.157 2.047 2.366 . 0 0 "[ . 1 . 2]" 1
167 1 19 ASN QB 1 20 ASP H 5.000 . 6.000 2.796 2.124 3.564 . 0 0 "[ . 1 . 2]" 1
168 1 19 ASN QB 1 22 GLU H 3.500 . 4.500 2.660 2.496 2.852 . 0 0 "[ . 1 . 2]" 1
169 1 19 ASN QB 1 23 LYS H 5.000 . 6.000 4.179 3.985 4.396 . 0 0 "[ . 1 . 2]" 1
170 1 19 ASN QD 1 21 ALA MB 5.000 . 7.500 3.421 1.936 5.037 . 0 0 "[ . 1 . 2]" 1
171 1 19 ASN QD 1 21 ALA H 5.000 . 6.000 3.700 1.978 5.152 . 0 0 "[ . 1 . 2]" 1
172 1 19 ASN QD 1 22 GLU QG 5.000 . 7.000 4.515 2.166 5.368 . 0 0 "[ . 1 . 2]" 1
173 1 19 ASN H 1 20 ASP H 5.000 . 5.000 4.311 2.520 4.635 . 0 0 "[ . 1 . 2]" 1
174 1 20 ASP HA 1 23 LYS H 3.500 . 3.500 3.439 3.388 3.507 0.007 9 0 "[ . 1 . 2]" 1
175 1 20 ASP QB 1 21 ALA H 3.500 . 4.500 2.942 2.315 3.574 . 0 0 "[ . 1 . 2]" 1
176 1 20 ASP H 1 21 ALA MB 5.000 . 6.500 4.005 3.676 5.025 . 0 0 "[ . 1 . 2]" 1
177 1 21 ALA H 1 21 ALA HA 2.900 . 2.900 2.798 2.763 2.820 . 0 0 "[ . 1 . 2]" 1
178 1 21 ALA HA 1 22 GLU H 3.500 . 3.500 3.549 3.541 3.553 0.053 1 0 "[ . 1 . 2]" 1
179 1 21 ALA HA 1 24 ASP H 2.900 . 2.900 2.965 2.956 2.974 0.074 3 0 "[ . 1 . 2]" 1
180 1 21 ALA H 1 21 ALA MB 2.900 . 4.000 2.143 2.078 2.239 . 0 0 "[ . 1 . 2]" 1
181 1 21 ALA MB 1 22 GLU H 2.900 . 4.400 2.387 2.273 2.507 . 0 0 "[ . 1 . 2]" 1
182 1 21 ALA MB 1 23 LYS H 3.500 . 5.000 4.214 4.199 4.235 . 0 0 "[ . 1 . 2]" 1
183 1 21 ALA MB 1 24 ASP H 5.000 . 6.500 4.165 4.160 4.173 . 0 0 "[ . 1 . 2]" 1
184 1 21 ALA MB 1 25 TYR H 5.000 . 6.500 4.502 4.354 4.615 . 0 0 "[ . 1 . 2]" 1
185 1 21 ALA H 1 22 GLU QG 5.000 . 6.000 5.011 4.532 5.139 . 0 0 "[ . 1 . 2]" 1
186 1 21 ALA H 1 22 GLU H 2.900 . 2.900 2.798 2.726 2.902 0.002 6 0 "[ . 1 . 2]" 1
187 1 22 GLU HA 1 23 LYS H 5.000 . 5.000 3.487 3.483 3.489 . 0 0 "[ . 1 . 2]" 1
188 1 22 GLU HA 1 25 TYR H 3.500 . 3.500 3.513 3.483 3.526 0.026 5 0 "[ . 1 . 2]" 1
189 1 22 GLU HA 1 26 LEU H 5.000 . 5.000 4.300 4.195 4.353 . 0 0 "[ . 1 . 2]" 1
190 1 22 GLU H 1 22 GLU QB 3.500 . 4.100 2.285 2.242 2.425 . 0 0 "[ . 1 . 2]" 1
191 1 22 GLU QB 1 25 TYR H 5.000 . 6.000 4.959 4.889 5.006 . 0 0 "[ . 1 . 2]" 1
192 1 22 GLU H 1 22 GLU QG 2.900 . 3.900 2.606 2.241 2.704 . 0 0 "[ . 1 . 2]" 1
193 1 22 GLU QG 1 25 TYR H 5.000 . 6.000 5.382 5.352 5.404 . 0 0 "[ . 1 . 2]" 1
194 1 22 GLU H 1 23 LYS H 2.900 . 2.900 2.693 2.676 2.701 . 0 0 "[ . 1 . 2]" 1
195 1 22 GLU H 1 49 VAL QG 5.000 . 7.400 4.850 4.562 4.927 . 0 0 "[ . 1 . 2]" 1
196 1 23 LYS HA 1 24 ASP H 5.000 . 5.000 3.518 3.511 3.527 . 0 0 "[ . 1 . 2]" 1
197 1 23 LYS HA 1 26 LEU H 5.000 . 5.000 3.337 3.261 3.499 . 0 0 "[ . 1 . 2]" 1
198 1 23 LYS H 1 23 LYS QB 2.900 . 3.500 2.372 2.049 2.545 . 0 0 "[ . 1 . 2]" 1
199 1 23 LYS QB 1 24 ASP H 2.900 . 3.900 2.732 2.678 2.839 . 0 0 "[ . 1 . 2]" 1
200 1 23 LYS H 1 23 LYS QG 3.500 . 4.500 2.485 2.033 3.499 . 0 0 "[ . 1 . 2]" 1
201 1 23 LYS QG 1 24 ASP H 5.000 . 6.000 4.130 3.906 4.496 . 0 0 "[ . 1 . 2]" 1
202 1 23 LYS H 1 24 ASP H 2.900 . 2.900 2.465 2.441 2.520 . 0 0 "[ . 1 . 2]" 1
203 1 24 ASP HA 1 25 TYR H 5.000 . 5.000 3.539 3.528 3.552 . 0 0 "[ . 1 . 2]" 1
204 1 24 ASP HA 1 27 TYR H 5.000 . 5.000 3.521 3.454 3.637 . 0 0 "[ . 1 . 2]" 1
205 1 24 ASP H 1 24 ASP QB 2.900 . 3.500 2.156 2.053 2.342 . 0 0 "[ . 1 . 2]" 1
206 1 24 ASP QB 1 25 TYR H 2.900 . 3.900 2.595 2.464 2.700 . 0 0 "[ . 1 . 2]" 1
207 1 24 ASP H 1 25 TYR QB 5.000 . 6.000 4.362 4.302 4.440 . 0 0 "[ . 1 . 2]" 1
208 1 24 ASP H 1 25 TYR H 3.500 . 3.500 2.651 2.618 2.702 . 0 0 "[ . 1 . 2]" 1
209 1 24 ASP H 1 26 LEU H 5.000 . 5.000 4.090 4.001 4.160 . 0 0 "[ . 1 . 2]" 1
210 1 24 ASP H 1 27 TYR QD 5.000 . 7.000 4.370 3.946 4.786 . 0 0 "[ . 1 . 2]" 1
211 1 24 ASP H 1 27 TYR QE 5.000 . 7.000 4.405 4.149 4.823 . 0 0 "[ . 1 . 2]" 1
212 1 25 TYR H 1 25 TYR HA 2.900 . 2.900 2.827 2.803 2.840 . 0 0 "[ . 1 . 2]" 1
213 1 25 TYR HA 1 26 LEU H 5.000 . 5.000 3.538 3.525 3.548 . 0 0 "[ . 1 . 2]" 1
214 1 25 TYR HA 1 28 ASP H 3.500 . 3.500 3.478 3.390 3.509 0.009 19 0 "[ . 1 . 2]" 1
215 1 25 TYR HA 1 29 VAL H 5.000 . 5.000 4.293 4.127 4.446 . 0 0 "[ . 1 . 2]" 1
216 1 25 TYR H 1 25 TYR QB 2.900 . 3.500 2.117 2.057 2.203 . 0 0 "[ . 1 . 2]" 1
217 1 25 TYR QB 1 26 LEU H 2.900 . 3.900 2.577 2.492 2.672 . 0 0 "[ . 1 . 2]" 1
218 1 25 TYR H 1 25 TYR QD 3.500 . 5.500 3.865 3.510 4.130 . 0 0 "[ . 1 . 2]" 1
219 1 25 TYR QD 1 26 LEU H 3.500 . 5.500 4.329 3.855 4.559 . 0 0 "[ . 1 . 2]" 1
220 1 25 TYR QE 1 48 LEU H 5.000 . 7.000 5.003 3.869 6.173 . 0 0 "[ . 1 . 2]" 1
221 1 25 TYR QE 1 49 VAL H 5.000 . 7.000 4.695 3.628 5.761 . 0 0 "[ . 1 . 2]" 1
222 1 25 TYR H 1 26 LEU QD 5.000 . 7.400 4.851 4.233 5.531 . 0 0 "[ . 1 . 2]" 1
223 1 25 TYR H 1 26 LEU H 2.900 . 2.900 2.624 2.572 2.708 . 0 0 "[ . 1 . 2]" 1
224 1 25 TYR H 1 27 TYR H 5.000 . 5.000 4.077 3.972 4.195 . 0 0 "[ . 1 . 2]" 1
225 1 25 TYR H 1 49 VAL QG 5.000 . 7.400 4.289 3.992 4.592 . 0 0 "[ . 1 . 2]" 1
226 1 26 LEU HA 1 27 TYR H 5.000 . 5.000 3.531 3.516 3.550 . 0 0 "[ . 1 . 2]" 1
227 1 26 LEU HA 1 29 VAL H 5.000 . 5.000 3.411 3.314 3.528 . 0 0 "[ . 1 . 2]" 1
228 1 26 LEU HA 1 30 LEU H 5.000 . 5.000 4.133 3.881 4.356 . 0 0 "[ . 1 . 2]" 1
229 1 26 LEU H 1 26 LEU QB 2.900 . 3.500 2.155 2.030 2.303 . 0 0 "[ . 1 . 2]" 1
230 1 26 LEU QB 1 27 TYR H 3.500 . 4.500 2.649 2.506 2.777 . 0 0 "[ . 1 . 2]" 1
231 1 26 LEU H 1 26 LEU QD 3.500 . 5.200 3.157 2.464 3.728 . 0 0 "[ . 1 . 2]" 1
232 1 26 LEU QD 1 27 TYR H 5.000 . 7.400 3.953 3.243 4.140 . 0 0 "[ . 1 . 2]" 1
233 1 26 LEU H 1 26 LEU HG 5.000 . 5.000 3.719 2.635 4.503 . 0 0 "[ . 1 . 2]" 1
234 1 26 LEU H 1 27 TYR H 2.900 . 2.900 2.680 2.627 2.722 . 0 0 "[ . 1 . 2]" 1
235 1 26 LEU H 1 49 VAL QG 5.000 . 7.400 3.373 3.016 3.651 . 0 0 "[ . 1 . 2]" 1
236 1 27 TYR HA 1 28 ASP H 3.500 . 3.500 3.532 3.516 3.541 0.041 15 0 "[ . 1 . 2]" 1
237 1 27 TYR HA 1 31 ARG H 5.000 . 5.000 4.102 3.970 4.207 . 0 0 "[ . 1 . 2]" 1
238 1 27 TYR H 1 27 TYR QB 2.900 . 3.500 2.472 2.322 2.568 . 0 0 "[ . 1 . 2]" 1
239 1 27 TYR QB 1 28 ASP H 3.500 . 4.500 2.487 2.381 2.646 . 0 0 "[ . 1 . 2]" 1
240 1 27 TYR H 1 27 TYR QD 5.000 . 7.000 3.088 2.741 3.292 . 0 0 "[ . 1 . 2]" 1
241 1 27 TYR QD 1 28 ASP H 5.000 . 7.000 4.338 4.234 4.447 . 0 0 "[ . 1 . 2]" 1
242 1 27 TYR H 1 27 TYR QE 2.900 . 4.900 4.464 4.260 4.754 . 0 0 "[ . 1 . 2]" 1
243 1 27 TYR QE 1 28 ASP H 5.000 . 7.000 6.238 6.082 6.433 . 0 0 "[ . 1 . 2]" 1
244 1 27 TYR H 1 28 ASP H 2.900 . 2.900 2.687 2.648 2.741 . 0 0 "[ . 1 . 2]" 1
245 1 27 TYR H 1 30 LEU QD 5.000 . 7.400 4.219 3.676 5.038 . 0 0 "[ . 1 . 2]" 1
246 1 28 ASP H 1 28 ASP HA 2.900 . 2.900 2.819 2.798 2.843 . 0 0 "[ . 1 . 2]" 1
247 1 28 ASP HA 1 29 VAL H 5.000 . 5.000 3.518 3.498 3.543 . 0 0 "[ . 1 . 2]" 1
248 1 28 ASP HA 1 30 LEU H 5.000 . 5.000 4.567 4.310 4.736 . 0 0 "[ . 1 . 2]" 1
249 1 28 ASP HA 1 31 ARG H 3.500 . 3.500 3.506 3.490 3.515 0.015 5 0 "[ . 1 . 2]" 1
250 1 28 ASP HA 1 32 MET H 5.000 . 5.000 4.104 3.812 4.389 . 0 0 "[ . 1 . 2]" 1
251 1 28 ASP H 1 28 ASP QB 2.900 . 3.500 2.157 2.060 2.329 . 0 0 "[ . 1 . 2]" 1
252 1 28 ASP QB 1 29 VAL H 3.500 . 4.500 2.718 2.561 2.843 . 0 0 "[ . 1 . 2]" 1
253 1 28 ASP H 1 29 VAL QG 3.500 . 5.900 3.894 3.793 3.968 . 0 0 "[ . 1 . 2]" 1
254 1 28 ASP H 1 29 VAL H 2.900 . 2.900 2.627 2.534 2.701 . 0 0 "[ . 1 . 2]" 1
255 1 29 VAL HA 1 30 LEU H 3.500 . 3.500 3.537 3.511 3.548 0.048 4 0 "[ . 1 . 2]" 1
256 1 29 VAL HA 1 32 MET H 3.500 . 3.500 3.507 3.474 3.519 0.019 18 0 "[ . 1 . 2]" 1
257 1 29 VAL HA 1 33 TYR H 5.000 . 5.000 4.250 3.874 4.520 . 0 0 "[ . 1 . 2]" 1
258 1 29 VAL H 1 29 VAL HB 2.900 . 2.900 2.646 2.594 2.750 . 0 0 "[ . 1 . 2]" 1
259 1 29 VAL HB 1 30 LEU H 3.500 . 3.500 2.441 2.301 2.712 . 0 0 "[ . 1 . 2]" 1
260 1 29 VAL H 1 29 VAL QG 2.900 . 4.600 2.112 1.989 2.232 . 0 0 "[ . 1 . 2]" 1
261 1 29 VAL QG 1 30 LEU H 3.500 . 5.900 3.198 3.111 3.330 . 0 0 "[ . 1 . 2]" 1
262 1 29 VAL QG 1 45 ASP H 3.500 . 5.900 3.605 3.407 3.865 . 0 0 "[ . 1 . 2]" 1
263 1 29 VAL QG 1 46 LEU H 5.000 . 7.400 2.680 2.464 3.128 . 0 0 "[ . 1 . 2]" 1
264 1 29 VAL QG 1 48 LEU H 5.000 . 7.400 5.304 5.054 5.502 . 0 0 "[ . 1 . 2]" 1
265 1 29 VAL H 1 30 LEU QD 5.000 . 7.400 4.707 4.377 5.057 . 0 0 "[ . 1 . 2]" 1
266 1 29 VAL H 1 30 LEU HG 5.000 . 5.000 4.892 4.387 5.017 0.017 18 0 "[ . 1 . 2]" 1
267 1 29 VAL H 1 30 LEU H 3.500 . 3.500 2.681 2.522 2.785 . 0 0 "[ . 1 . 2]" 1
268 1 29 VAL H 1 31 ARG H 5.000 . 5.000 4.047 3.872 4.179 . 0 0 "[ . 1 . 2]" 1
269 1 30 LEU HA 1 33 TYR H 3.500 . 3.500 3.478 3.325 3.517 0.017 5 0 "[ . 1 . 2]" 1
270 1 30 LEU H 1 30 LEU QB 2.900 . 3.500 2.327 2.184 2.525 . 0 0 "[ . 1 . 2]" 1
271 1 30 LEU QB 1 31 ARG H 5.000 . 6.000 2.578 2.450 2.727 . 0 0 "[ . 1 . 2]" 1
272 1 30 LEU H 1 30 LEU QD 3.500 . 5.200 3.096 2.844 3.394 . 0 0 "[ . 1 . 2]" 1
273 1 30 LEU QD 1 31 ARG H 3.500 . 5.900 4.023 3.786 4.189 . 0 0 "[ . 1 . 2]" 1
274 1 30 LEU H 1 30 LEU HG 2.900 . 2.900 2.573 2.125 2.906 0.006 6 0 "[ . 1 . 2]" 1
275 1 30 LEU HG 1 31 ARG H 5.000 . 5.000 4.563 4.270 4.735 . 0 0 "[ . 1 . 2]" 1
276 1 30 LEU H 2 8 LEU QD 5.000 . 7.400 4.535 4.232 5.018 . 0 0 "[ . 1 . 2]" 1
277 1 30 LEU H 1 31 ARG H 3.500 . 3.500 2.653 2.557 2.718 . 0 0 "[ . 1 . 2]" 1
278 1 31 ARG H 1 31 ARG HA 2.900 . 2.900 2.816 2.790 2.838 . 0 0 "[ . 1 . 2]" 1
279 1 31 ARG HA 1 32 MET H 5.000 . 5.000 3.516 3.488 3.544 . 0 0 "[ . 1 . 2]" 1
280 1 31 ARG HA 1 34 HIS H 3.500 . 3.500 3.519 3.505 3.544 0.044 4 0 "[ . 1 . 2]" 1
281 1 31 ARG H 1 31 ARG QB 2.900 . 3.500 2.144 2.044 2.269 . 0 0 "[ . 1 . 2]" 1
282 1 31 ARG QB 1 32 MET H 3.500 . 4.500 2.717 2.588 2.830 . 0 0 "[ . 1 . 2]" 1
283 1 31 ARG H 1 31 ARG QD 5.000 . 6.000 3.980 3.014 4.620 . 0 0 "[ . 1 . 2]" 1
284 1 31 ARG QD 1 32 MET H 5.000 . 6.000 4.973 4.524 5.278 . 0 0 "[ . 1 . 2]" 1
285 1 31 ARG QG 1 32 MET H 5.000 . 6.000 4.255 3.646 4.489 . 0 0 "[ . 1 . 2]" 1
286 1 31 ARG H 2 8 LEU QD 3.500 . 5.900 3.864 3.469 4.294 . 0 0 "[ . 1 . 2]" 1
287 1 31 ARG H 1 32 MET H 3.500 . 3.500 2.623 2.549 2.688 . 0 0 "[ . 1 . 2]" 1
288 1 32 MET HA 1 33 TYR H 5.000 . 5.000 3.555 3.541 3.577 . 0 0 "[ . 1 . 2]" 1
289 1 32 MET HA 1 34 HIS H 5.000 . 5.000 4.316 4.134 4.562 . 0 0 "[ . 1 . 2]" 1
290 1 32 MET HA 1 35 GLN H 3.500 . 3.500 3.443 3.321 3.518 0.018 2 0 "[ . 1 . 2]" 1
291 1 32 MET H 1 32 MET QB 2.900 . 3.500 2.264 2.051 2.576 . 0 0 "[ . 1 . 2]" 1
292 1 32 MET QB 1 33 TYR H 2.900 . 3.900 2.485 2.373 2.638 . 0 0 "[ . 1 . 2]" 1
293 1 32 MET H 1 32 MET QG 3.500 . 4.500 2.963 2.174 4.064 . 0 0 "[ . 1 . 2]" 1
294 1 32 MET QG 1 33 TYR H 5.000 . 6.000 4.113 3.612 4.409 . 0 0 "[ . 1 . 2]" 1
295 1 32 MET H 1 33 TYR H 3.500 . 3.500 2.676 2.580 2.779 . 0 0 "[ . 1 . 2]" 1
296 1 33 TYR HA 1 36 THR H 5.000 . 5.000 4.207 3.892 4.599 . 0 0 "[ . 1 . 2]" 1
297 1 33 TYR H 1 33 TYR QB 2.900 . 3.500 2.203 2.071 2.254 . 0 0 "[ . 1 . 2]" 1
298 1 33 TYR H 1 33 TYR QD 3.500 . 5.500 4.123 3.961 4.189 . 0 0 "[ . 1 . 2]" 1
299 1 33 TYR QD 1 34 HIS H 5.000 . 7.000 4.225 4.000 4.454 . 0 0 "[ . 1 . 2]" 1
300 1 33 TYR QD 1 37 MET H 5.000 . 7.000 3.980 3.729 4.251 . 0 0 "[ . 1 . 2]" 1
301 1 33 TYR QD 1 38 ASP H 3.500 . 5.500 3.326 2.652 4.431 . 0 0 "[ . 1 . 2]" 1
302 1 33 TYR QD 1 39 VAL H 5.000 . 7.000 4.544 3.977 5.852 . 0 0 "[ . 1 . 2]" 1
303 1 33 TYR QD 1 42 LEU H 5.000 . 7.000 4.904 4.356 6.121 . 0 0 "[ . 1 . 2]" 1
304 1 33 TYR QD 1 66 ILE H 5.000 . 7.000 5.743 5.503 6.120 . 0 0 "[ . 1 . 2]" 1
305 1 33 TYR QE 1 37 MET H 5.000 . 7.000 5.505 5.115 5.794 . 0 0 "[ . 1 . 2]" 1
306 1 33 TYR QE 1 38 ASP H 5.000 . 7.000 4.706 4.002 5.547 . 0 0 "[ . 1 . 2]" 1
307 1 33 TYR QE 1 39 VAL H 5.000 . 7.000 3.969 3.363 5.107 . 0 0 "[ . 1 . 2]" 1
308 1 33 TYR QE 1 42 LEU H 5.000 . 7.000 6.033 5.339 6.390 . 0 0 "[ . 1 . 2]" 1
309 1 33 TYR QE 1 66 ILE H 5.000 . 7.000 4.229 3.933 5.019 . 0 0 "[ . 1 . 2]" 1
310 1 33 TYR H 1 34 HIS H 3.500 . 3.500 2.747 2.680 2.817 . 0 0 "[ . 1 . 2]" 1
311 1 33 TYR H 1 35 GLN H 5.000 . 5.000 4.259 3.985 4.576 . 0 0 "[ . 1 . 2]" 1
312 1 33 TYR H 1 42 LEU QB 5.000 . 6.000 4.456 3.422 5.412 . 0 0 "[ . 1 . 2]" 1
313 1 33 TYR H 1 42 LEU QD 3.500 . 5.900 3.588 2.124 4.370 . 0 0 "[ . 1 . 2]" 1
314 1 34 HIS HA 1 35 GLN H 3.500 . 3.500 3.530 3.505 3.556 0.056 2 0 "[ . 1 . 2]" 1
315 1 34 HIS H 1 34 HIS QB 2.900 . 3.500 2.202 2.117 2.273 . 0 0 "[ . 1 . 2]" 1
316 1 34 HIS QB 1 35 GLN H 3.500 . 4.500 2.549 2.291 2.767 . 0 0 "[ . 1 . 2]" 1
317 1 34 HIS H 2 4 LEU QD 3.500 . 5.900 3.264 2.750 3.987 . 0 0 "[ . 1 . 2]" 1
318 1 34 HIS H 2 8 LEU QD 3.500 . 5.900 4.085 3.882 4.272 . 0 0 "[ . 1 . 2]" 1
319 1 34 HIS H 1 35 GLN H 3.500 . 3.500 2.561 2.497 2.681 . 0 0 "[ . 1 . 2]" 1
320 1 35 GLN H 1 35 GLN HA 2.900 . 2.900 2.865 2.861 2.870 . 0 0 "[ . 1 . 2]" 1
321 1 35 GLN HA 1 36 THR H 5.000 . 5.000 3.580 3.569 3.588 . 0 0 "[ . 1 . 2]" 1
322 1 35 GLN H 1 35 GLN QB 2.900 . 3.500 2.280 2.101 2.590 . 0 0 "[ . 1 . 2]" 1
323 1 35 GLN QB 1 36 THR H 3.500 . 4.500 2.421 2.241 3.276 . 0 0 "[ . 1 . 2]" 1
324 1 35 GLN H 1 35 GLN QE 5.000 . 6.000 4.523 3.585 5.198 . 0 0 "[ . 1 . 2]" 1
325 1 35 GLN QE 1 36 THR MG 5.000 . 7.500 3.993 1.941 5.368 . 0 0 "[ . 1 . 2]" 1
326 1 35 GLN QE 1 36 THR H 5.000 . 6.000 4.579 3.543 5.221 . 0 0 "[ . 1 . 2]" 1
327 1 35 GLN H 1 35 GLN QG 3.500 . 4.500 3.682 1.972 4.079 . 0 0 "[ . 1 . 2]" 1
328 1 35 GLN QG 1 36 THR H 5.000 . 6.000 3.498 1.834 4.114 . 0 0 "[ . 1 . 2]" 1
329 1 35 GLN H 2 8 LEU QD 5.000 . 7.400 5.198 4.974 5.325 . 0 0 "[ . 1 . 2]" 1
330 1 35 GLN H 1 36 THR MG 5.000 . 6.500 4.563 3.918 5.265 . 0 0 "[ . 1 . 2]" 1
331 1 35 GLN H 1 36 THR H 3.500 . 3.500 2.689 2.618 2.720 . 0 0 "[ . 1 . 2]" 1
332 1 35 GLN H 1 37 MET H 5.000 . 5.000 3.731 3.564 4.021 . 0 0 "[ . 1 . 2]" 1
333 1 36 THR HA 1 37 MET H 5.000 . 5.000 3.476 3.341 3.559 . 0 0 "[ . 1 . 2]" 1
334 1 36 THR H 1 36 THR HB 3.500 . 3.500 3.555 3.442 3.589 0.089 6 0 "[ . 1 . 2]" 1
335 1 36 THR HB 1 38 ASP H 3.500 . 3.500 3.294 2.520 3.509 0.009 10 0 "[ . 1 . 2]" 1
336 1 36 THR H 1 36 THR MG 2.900 . 4.400 2.530 1.936 3.108 . 0 0 "[ . 1 . 2]" 1
337 1 36 THR MG 1 37 MET H 5.000 . 6.500 4.040 3.593 4.391 . 0 0 "[ . 1 . 2]" 1
338 1 36 THR MG 1 38 ASP H 5.000 . 6.500 4.299 4.031 4.532 . 0 0 "[ . 1 . 2]" 1
339 1 36 THR H 1 37 MET HA 5.000 . 5.000 4.701 4.523 4.908 . 0 0 "[ . 1 . 2]" 1
340 1 36 THR H 1 37 MET QG 5.000 . 6.000 4.707 3.742 5.225 . 0 0 "[ . 1 . 2]" 1
341 1 36 THR H 1 37 MET H 2.900 . 2.900 2.449 2.281 2.654 . 0 0 "[ . 1 . 2]" 1
342 1 36 THR H 1 38 ASP H 5.000 . 5.000 4.132 3.710 4.474 . 0 0 "[ . 1 . 2]" 1
343 1 37 MET H 1 37 MET HA 2.900 . 2.900 2.280 2.276 2.285 . 0 0 "[ . 1 . 2]" 1
344 1 37 MET HA 1 38 ASP H 3.500 . 3.500 2.953 2.800 3.070 . 0 0 "[ . 1 . 2]" 1
345 1 37 MET QB 1 38 ASP H 5.000 . 6.000 3.752 3.661 3.844 . 0 0 "[ . 1 . 2]" 1
346 1 37 MET H 1 37 MET ME 5.000 . 6.500 3.907 2.936 5.066 . 0 0 "[ . 1 . 2]" 1
347 1 37 MET H 1 37 MET QG 3.500 . 4.500 3.038 2.628 3.634 . 0 0 "[ . 1 . 2]" 1
348 1 37 MET H 1 38 ASP H 3.500 . 3.500 2.595 2.453 2.680 . 0 0 "[ . 1 . 2]" 1
349 1 38 ASP HA 1 39 VAL H 2.900 . 2.900 2.138 2.129 2.148 . 0 0 "[ . 1 . 2]" 1
350 1 38 ASP HA 1 40 ALA H 3.500 . 3.500 3.517 3.448 3.531 0.031 18 0 "[ . 1 . 2]" 1
351 1 38 ASP HA 1 41 VAL H 5.000 . 5.000 4.471 4.167 4.761 . 0 0 "[ . 1 . 2]" 1
352 1 38 ASP H 1 38 ASP QB 2.900 . 3.500 2.373 2.128 2.900 . 0 0 "[ . 1 . 2]" 1
353 1 38 ASP QB 1 39 VAL H 5.000 . 6.000 3.569 3.299 3.878 . 0 0 "[ . 1 . 2]" 1
354 1 38 ASP QB 1 40 ALA H 5.000 . 6.000 3.125 2.573 3.658 . 0 0 "[ . 1 . 2]" 1
355 1 38 ASP QB 1 41 VAL H 5.000 . 6.000 2.511 2.092 3.163 . 0 0 "[ . 1 . 2]" 1
356 1 38 ASP H 1 39 VAL H 5.000 . 5.000 4.351 4.301 4.398 . 0 0 "[ . 1 . 2]" 1
357 1 38 ASP H 1 41 VAL HB 5.000 . 5.000 4.424 4.063 4.663 . 0 0 "[ . 1 . 2]" 1
358 1 38 ASP H 1 41 VAL QG 5.000 . 7.400 4.005 3.674 4.320 . 0 0 "[ . 1 . 2]" 1
359 1 39 VAL HA 1 40 ALA H 5.000 . 5.000 3.409 3.347 3.456 . 0 0 "[ . 1 . 2]" 1
360 1 39 VAL HA 1 41 VAL H 5.000 . 5.000 4.118 3.984 4.383 . 0 0 "[ . 1 . 2]" 1
361 1 39 VAL HA 1 42 LEU H 3.500 . 3.500 3.354 3.153 3.502 0.002 20 0 "[ . 1 . 2]" 1
362 1 39 VAL HA 1 43 VAL H 5.000 . 5.000 4.040 3.834 4.111 . 0 0 "[ . 1 . 2]" 1
363 1 39 VAL H 1 39 VAL HB 2.900 . 2.900 2.617 2.556 2.708 . 0 0 "[ . 1 . 2]" 1
364 1 39 VAL HB 1 40 ALA H 3.500 . 3.500 3.220 3.037 3.431 . 0 0 "[ . 1 . 2]" 1
365 1 39 VAL H 1 39 VAL QG 2.900 . 4.600 2.068 1.949 2.259 . 0 0 "[ . 1 . 2]" 1
366 1 39 VAL QG 1 40 ALA H 2.900 . 5.300 3.521 3.455 3.604 . 0 0 "[ . 1 . 2]" 1
367 1 39 VAL QG 1 73 GLU H 5.000 . 7.400 4.761 4.060 5.278 . 0 0 "[ . 1 . 2]" 1
368 1 39 VAL QG 1 74 TYR H 3.500 . 5.900 3.554 2.767 4.162 . 0 0 "[ . 1 . 2]" 1
369 1 39 VAL H 1 40 ALA HA 5.000 . 5.000 5.016 4.988 5.055 0.055 2 0 "[ . 1 . 2]" 1
370 1 39 VAL H 1 40 ALA MB 5.000 . 6.500 4.083 4.005 4.158 . 0 0 "[ . 1 . 2]" 1
371 1 39 VAL H 1 40 ALA H 2.900 . 2.900 2.461 2.380 2.595 . 0 0 "[ . 1 . 2]" 1
372 1 39 VAL H 1 41 VAL H 5.000 . 5.000 4.213 4.018 4.447 . 0 0 "[ . 1 . 2]" 1
373 1 39 VAL H 1 42 LEU QD 5.000 . 7.400 4.369 3.856 5.235 . 0 0 "[ . 1 . 2]" 1
374 1 40 ALA H 1 40 ALA HA 2.900 . 2.900 2.868 2.856 2.877 . 0 0 "[ . 1 . 2]" 1
375 1 40 ALA HA 1 41 VAL H 3.500 . 3.500 3.493 3.475 3.512 0.012 8 0 "[ . 1 . 2]" 1
376 1 40 ALA HA 1 42 LEU H 5.000 . 5.000 4.375 4.203 4.556 . 0 0 "[ . 1 . 2]" 1
377 1 40 ALA HA 1 43 VAL H 3.500 . 3.500 3.522 3.515 3.529 0.029 20 0 "[ . 1 . 2]" 1
378 1 40 ALA H 1 40 ALA MB 2.900 . 4.000 2.184 2.096 2.266 . 0 0 "[ . 1 . 2]" 1
379 1 40 ALA MB 1 41 VAL H 2.900 . 4.400 2.748 2.604 2.879 . 0 0 "[ . 1 . 2]" 1
380 1 40 ALA H 1 41 VAL HA 5.000 . 5.000 5.054 5.040 5.069 0.069 1 0 "[ . 1 . 2]" 1
381 1 40 ALA H 1 41 VAL H 2.900 . 2.900 2.408 2.375 2.431 . 0 0 "[ . 1 . 2]" 1
382 1 40 ALA H 1 42 LEU H 5.000 . 5.000 3.957 3.741 4.198 . 0 0 "[ . 1 . 2]" 1
383 1 41 VAL H 1 41 VAL HA 2.900 . 2.900 2.848 2.836 2.854 . 0 0 "[ . 1 . 2]" 1
384 1 41 VAL HA 1 42 LEU H 5.000 . 5.000 3.517 3.488 3.548 . 0 0 "[ . 1 . 2]" 1
385 1 41 VAL HA 1 44 GLY H 5.000 . 5.000 3.625 3.552 3.689 . 0 0 "[ . 1 . 2]" 1
386 1 41 VAL HA 1 45 ASP H 5.000 . 5.000 4.177 3.973 4.315 . 0 0 "[ . 1 . 2]" 1
387 1 41 VAL H 1 41 VAL HB 2.900 . 2.900 2.592 2.554 2.633 . 0 0 "[ . 1 . 2]" 1
388 1 41 VAL HB 1 42 LEU H 2.900 . 2.900 2.660 2.515 2.773 . 0 0 "[ . 1 . 2]" 1
389 1 41 VAL H 1 41 VAL QG 2.900 . 4.600 2.063 1.957 2.234 . 0 0 "[ . 1 . 2]" 1
390 1 41 VAL QG 1 42 LEU H 2.900 . 5.300 3.282 3.200 3.350 . 0 0 "[ . 1 . 2]" 1
391 1 41 VAL QG 1 45 ASP H 3.500 . 5.900 3.922 3.766 4.017 . 0 0 "[ . 1 . 2]" 1
392 1 41 VAL H 1 42 LEU H 2.900 . 2.900 2.498 2.439 2.558 . 0 0 "[ . 1 . 2]" 1
393 1 42 LEU HA 1 43 VAL H 5.000 . 5.000 3.549 3.523 3.567 . 0 0 "[ . 1 . 2]" 1
394 1 42 LEU HA 1 45 ASP H 5.000 . 5.000 3.739 3.619 3.931 . 0 0 "[ . 1 . 2]" 1
395 1 42 LEU H 1 42 LEU QB 2.900 . 3.500 2.205 2.014 2.425 . 0 0 "[ . 1 . 2]" 1
396 1 42 LEU QB 1 43 VAL H 5.000 . 6.000 3.006 2.505 3.471 . 0 0 "[ . 1 . 2]" 1
397 1 42 LEU H 1 42 LEU QD 3.500 . 5.200 3.052 2.209 3.594 . 0 0 "[ . 1 . 2]" 1
398 1 42 LEU QD 1 43 VAL H 3.500 . 5.900 3.396 2.511 4.074 . 0 0 "[ . 1 . 2]" 1
399 1 42 LEU H 1 42 LEU HG 3.500 . 3.500 3.076 2.408 3.535 0.035 15 0 "[ . 1 . 2]" 1
400 1 42 LEU HG 1 43 VAL H 5.000 . 5.000 3.456 1.937 4.980 . 0 0 "[ . 1 . 2]" 1
401 1 42 LEU H 1 43 VAL H 3.500 . 3.500 2.621 2.539 2.692 . 0 0 "[ . 1 . 2]" 1
402 1 43 VAL HA 1 44 GLY H 5.000 . 5.000 3.538 3.520 3.556 . 0 0 "[ . 1 . 2]" 1
403 1 43 VAL HA 1 45 ASP H 5.000 . 5.000 4.941 4.695 5.006 0.006 18 0 "[ . 1 . 2]" 1
404 1 43 VAL HA 1 46 LEU H 5.000 . 5.000 3.830 3.580 4.091 . 0 0 "[ . 1 . 2]" 1
405 1 43 VAL HA 1 47 LYS H 5.000 . 5.000 4.018 3.775 4.288 . 0 0 "[ . 1 . 2]" 1
406 1 43 VAL H 1 43 VAL HB 2.900 . 2.900 2.555 2.409 2.671 . 0 0 "[ . 1 . 2]" 1
407 1 43 VAL HB 1 44 GLY H 2.900 . 2.900 2.628 2.500 2.748 . 0 0 "[ . 1 . 2]" 1
408 1 43 VAL H 1 43 VAL QG 3.500 . 5.200 2.133 1.939 2.348 . 0 0 "[ . 1 . 2]" 1
409 1 43 VAL QG 1 44 GLY H 3.500 . 5.900 3.226 3.108 3.326 . 0 0 "[ . 1 . 2]" 1
410 1 43 VAL QG 1 47 LYS H 5.000 . 7.400 4.050 3.941 4.154 . 0 0 "[ . 1 . 2]" 1
411 1 43 VAL H 1 44 GLY H 2.900 . 2.900 2.692 2.575 2.818 . 0 0 "[ . 1 . 2]" 1
412 1 43 VAL H 1 45 ASP H 5.000 . 5.000 4.572 4.292 4.735 . 0 0 "[ . 1 . 2]" 1
413 1 44 GLY QA 1 45 ASP H 3.500 . 4.500 2.554 2.533 2.628 . 0 0 "[ . 1 . 2]" 1
414 1 44 GLY QA 1 46 LEU H 5.000 . 6.000 4.163 3.949 4.336 . 0 0 "[ . 1 . 2]" 1
415 1 44 GLY QA 1 47 LYS H 5.000 . 6.000 3.759 3.627 3.988 . 0 0 "[ . 1 . 2]" 1
416 1 44 GLY H 1 45 ASP H 2.900 . 2.900 2.868 2.809 2.909 0.009 1 0 "[ . 1 . 2]" 1
417 1 44 GLY H 1 46 LEU H 5.000 . 5.000 4.099 3.967 4.294 . 0 0 "[ . 1 . 2]" 1
418 1 45 ASP HA 1 46 LEU H 5.000 . 5.000 3.544 3.515 3.565 . 0 0 "[ . 1 . 2]" 1
419 1 45 ASP HA 1 47 LYS H 5.000 . 5.000 4.348 4.171 4.605 . 0 0 "[ . 1 . 2]" 1
420 1 45 ASP HA 1 48 LEU H 5.000 . 5.000 3.403 3.314 3.556 . 0 0 "[ . 1 . 2]" 1
421 1 45 ASP H 1 45 ASP QB 2.900 . 3.500 2.359 2.156 2.550 . 0 0 "[ . 1 . 2]" 1
422 1 45 ASP QB 1 46 LEU H 5.000 . 6.000 2.548 2.391 2.702 . 0 0 "[ . 1 . 2]" 1
423 1 45 ASP H 1 46 LEU H 2.900 . 2.900 2.697 2.573 2.828 . 0 0 "[ . 1 . 2]" 1
424 1 45 ASP H 1 47 LYS H 5.000 . 5.000 4.315 4.187 4.591 . 0 0 "[ . 1 . 2]" 1
425 1 46 LEU HA 1 47 LYS H 3.500 . 3.500 3.536 3.524 3.550 0.050 1 0 "[ . 1 . 2]" 1
426 1 46 LEU H 1 46 LEU QB 3.500 . 4.100 2.276 2.178 2.392 . 0 0 "[ . 1 . 2]" 1
427 1 46 LEU QB 1 47 LYS H 3.500 . 4.500 2.556 2.388 2.670 . 0 0 "[ . 1 . 2]" 1
428 1 46 LEU H 1 46 LEU QD 3.500 . 5.200 3.244 2.931 3.397 . 0 0 "[ . 1 . 2]" 1
429 1 46 LEU QD 1 47 LYS H 5.000 . 7.400 4.054 3.930 4.140 . 0 0 "[ . 1 . 2]" 1
430 1 46 LEU H 1 46 LEU HG 2.900 . 2.900 2.684 2.373 2.905 0.005 6 0 "[ . 1 . 2]" 1
431 1 46 LEU H 1 47 LYS H 3.500 . 3.500 2.853 2.792 2.937 . 0 0 "[ . 1 . 2]" 1
432 1 46 LEU H 1 48 LEU H 5.000 . 5.000 4.365 4.177 4.504 . 0 0 "[ . 1 . 2]" 1
433 1 46 LEU H 1 59 PHE QE 5.000 . 7.000 4.804 4.308 5.502 . 0 0 "[ . 1 . 2]" 1
434 1 47 LYS H 1 47 LYS HA 2.900 . 2.900 2.790 2.767 2.810 . 0 0 "[ . 1 . 2]" 1
435 1 47 LYS HA 1 48 LEU H 3.500 . 3.500 3.538 3.531 3.545 0.045 3 0 "[ . 1 . 2]" 1
436 1 47 LYS HA 1 49 VAL H 5.000 . 5.000 4.196 4.095 4.343 . 0 0 "[ . 1 . 2]" 1
437 1 47 LYS HA 1 50 ILE H 3.500 . 3.500 3.101 2.983 3.160 . 0 0 "[ . 1 . 2]" 1
438 1 47 LYS H 1 47 LYS QB 2.900 . 3.500 2.096 2.046 2.532 . 0 0 "[ . 1 . 2]" 1
439 1 47 LYS QB 1 48 LEU H 3.500 . 4.500 2.535 2.320 2.670 . 0 0 "[ . 1 . 2]" 1
440 1 47 LYS H 1 47 LYS QD 3.500 . 4.500 3.361 2.642 3.961 . 0 0 "[ . 1 . 2]" 1
441 1 47 LYS H 1 47 LYS QG 3.500 . 4.500 3.544 2.089 4.030 . 0 0 "[ . 1 . 2]" 1
442 1 47 LYS H 1 48 LEU H 2.900 . 2.900 2.766 2.682 2.846 . 0 0 "[ . 1 . 2]" 1
443 1 47 LYS H 1 49 VAL H 5.000 . 5.000 4.143 4.025 4.376 . 0 0 "[ . 1 . 2]" 1
444 1 48 LEU H 1 48 LEU HA 2.900 . 2.900 2.766 2.750 2.781 . 0 0 "[ . 1 . 2]" 1
445 1 48 LEU HA 1 49 VAL H 5.000 . 5.000 3.529 3.509 3.553 . 0 0 "[ . 1 . 2]" 1
446 1 48 LEU HA 1 50 ILE H 5.000 . 5.000 3.990 3.926 4.159 . 0 0 "[ . 1 . 2]" 1
447 1 48 LEU H 1 48 LEU QB 2.900 . 3.500 2.241 2.048 2.550 . 0 0 "[ . 1 . 2]" 1
448 1 48 LEU QB 1 49 VAL H 3.500 . 4.500 2.692 2.568 2.787 . 0 0 "[ . 1 . 2]" 1
449 1 48 LEU H 1 48 LEU QD 3.500 . 5.200 3.072 2.124 3.542 . 0 0 "[ . 1 . 2]" 1
450 1 48 LEU H 1 48 LEU HG 3.500 . 3.500 2.877 2.030 3.439 . 0 0 "[ . 1 . 2]" 1
451 1 48 LEU H 1 49 VAL H 2.900 . 2.900 2.784 2.712 2.860 . 0 0 "[ . 1 . 2]" 1
452 1 48 LEU H 1 50 ILE H 5.000 . 5.000 3.827 3.776 3.867 . 0 0 "[ . 1 . 2]" 1
453 1 49 VAL HA 1 50 ILE H 5.000 . 5.000 3.229 3.179 3.330 . 0 0 "[ . 1 . 2]" 1
454 1 49 VAL HA 1 51 ASN QD 5.000 . 6.000 4.733 3.852 5.214 . 0 0 "[ . 1 . 2]" 1
455 1 49 VAL HA 1 51 ASN H 5.000 . 5.000 3.965 3.884 4.008 . 0 0 "[ . 1 . 2]" 1
456 1 49 VAL H 1 49 VAL HB 3.500 . 3.500 2.866 2.846 2.891 . 0 0 "[ . 1 . 2]" 1
457 1 49 VAL HB 1 50 ILE H 5.000 . 5.000 4.414 4.321 4.455 . 0 0 "[ . 1 . 2]" 1
458 1 49 VAL H 1 49 VAL QG 2.900 . 4.600 2.024 1.917 2.209 . 0 0 "[ . 1 . 2]" 1
459 1 49 VAL QG 1 50 ILE H 3.500 . 5.900 2.919 2.624 3.042 . 0 0 "[ . 1 . 2]" 1
460 1 49 VAL H 1 50 ILE HA 5.000 . 5.000 4.930 4.875 4.962 . 0 0 "[ . 1 . 2]" 1
461 1 49 VAL H 1 50 ILE MD 5.000 . 6.500 4.466 4.036 4.721 . 0 0 "[ . 1 . 2]" 1
462 1 49 VAL H 1 50 ILE MG 5.000 . 6.500 5.502 5.489 5.511 . 0 0 "[ . 1 . 2]" 1
463 1 49 VAL H 1 50 ILE H 2.900 . 2.900 2.341 2.211 2.405 . 0 0 "[ . 1 . 2]" 1
464 1 50 ILE H 1 50 ILE HA 2.900 . 2.900 2.915 2.907 2.929 0.029 8 0 "[ . 1 . 2]" 1
465 1 50 ILE HA 1 51 ASN H 2.900 . 2.900 2.929 2.906 2.944 0.044 1 0 "[ . 1 . 2]" 1
466 1 50 ILE HA 1 52 GLU H 3.500 . 3.500 3.063 3.037 3.091 . 0 0 "[ . 1 . 2]" 1
467 1 50 ILE H 1 50 ILE HB 3.500 . 3.500 2.804 2.714 2.875 . 0 0 "[ . 1 . 2]" 1
468 1 50 ILE HB 1 51 ASN H 5.000 . 5.000 4.089 4.060 4.117 . 0 0 "[ . 1 . 2]" 1
469 1 50 ILE HB 1 59 PHE H 5.000 . 5.000 4.692 4.533 4.948 . 0 0 "[ . 1 . 2]" 1
470 1 50 ILE H 1 50 ILE MD 5.000 . 6.500 4.022 3.581 4.256 . 0 0 "[ . 1 . 2]" 1
471 1 50 ILE MD 1 58 LEU H 5.000 . 6.500 3.963 3.581 4.461 . 0 0 "[ . 1 . 2]" 1
472 1 50 ILE MD 1 59 PHE H 3.500 . 5.000 2.764 2.385 3.594 . 0 0 "[ . 1 . 2]" 1
473 1 50 ILE H 1 50 ILE QG 3.500 . 4.500 3.021 2.912 3.096 . 0 0 "[ . 1 . 2]" 1
474 1 50 ILE QG 1 58 LEU H 3.500 . 4.500 3.623 3.604 3.660 . 0 0 "[ . 1 . 2]" 1
475 1 50 ILE H 1 50 ILE MG 3.500 . 5.000 3.903 3.878 3.932 . 0 0 "[ . 1 . 2]" 1
476 1 50 ILE MG 1 51 ASN H 3.500 . 5.000 4.087 4.072 4.101 . 0 0 "[ . 1 . 2]" 1
477 1 50 ILE MG 1 52 GLU H 3.500 . 5.000 3.509 3.404 3.596 . 0 0 "[ . 1 . 2]" 1
478 1 50 ILE MG 1 55 ARG H 5.000 . 6.500 4.457 4.342 4.628 . 0 0 "[ . 1 . 2]" 1
479 1 50 ILE MG 1 56 LEU H 5.000 . 6.500 3.318 3.176 3.547 . 0 0 "[ . 1 . 2]" 1
480 1 50 ILE MG 1 59 PHE H 5.000 . 6.500 2.137 1.947 2.498 . 0 0 "[ . 1 . 2]" 1
481 1 50 ILE H 1 51 ASN H 5.000 . 5.000 2.244 2.163 2.451 . 0 0 "[ . 1 . 2]" 1
482 1 50 ILE H 1 52 GLU H 5.000 . 5.000 4.533 4.458 4.683 . 0 0 "[ . 1 . 2]" 1
483 1 51 ASN HA 1 52 GLU H 3.500 . 3.500 3.152 3.112 3.237 . 0 0 "[ . 1 . 2]" 1
484 1 51 ASN H 1 51 ASN QB 3.500 . 4.100 2.596 2.145 2.919 . 0 0 "[ . 1 . 2]" 1
485 1 51 ASN H 1 51 ASN QD 5.000 . 6.000 3.397 2.283 3.771 . 0 0 "[ . 1 . 2]" 1
486 1 51 ASN H 1 52 GLU QG 5.000 . 6.000 3.288 3.170 3.614 . 0 0 "[ . 1 . 2]" 1
487 1 51 ASN H 1 52 GLU H 2.900 . 2.900 2.756 2.699 2.812 . 0 0 "[ . 1 . 2]" 1
488 1 51 ASN H 1 55 ARG QB 5.000 . 6.000 3.472 3.297 3.617 . 0 0 "[ . 1 . 2]" 1
489 1 51 ASN H 1 55 ARG QD 3.500 . 4.500 3.319 2.890 3.808 . 0 0 "[ . 1 . 2]" 1
490 1 51 ASN H 1 56 LEU QD 5.000 . 7.400 5.017 4.929 5.095 . 0 0 "[ . 1 . 2]" 1
491 1 52 GLU H 1 52 GLU QB 2.900 . 3.500 2.844 2.749 3.196 . 0 0 "[ . 1 . 2]" 1
492 1 52 GLU QB 1 55 ARG H 3.500 . 4.500 2.450 2.228 3.357 . 0 0 "[ . 1 . 2]" 1
493 1 52 GLU H 1 52 GLU QG 2.900 . 3.900 2.525 2.075 2.679 . 0 0 "[ . 1 . 2]" 1
494 1 52 GLU QG 1 55 ARG H 3.500 . 4.500 3.757 1.938 4.097 . 0 0 "[ . 1 . 2]" 1
495 1 52 GLU H 1 54 SER H 5.000 . 5.000 5.026 5.009 5.044 0.044 14 0 "[ . 1 . 2]" 1
496 1 52 GLU H 1 55 ARG HA 5.000 . 5.000 5.084 5.041 5.115 0.115 4 0 "[ . 1 . 2]" 1
497 1 52 GLU H 1 55 ARG QB 3.500 . 4.500 2.223 2.158 2.318 . 0 0 "[ . 1 . 2]" 1
498 1 52 GLU H 1 55 ARG QD 3.500 . 4.500 2.991 2.553 3.497 . 0 0 "[ . 1 . 2]" 1
499 1 52 GLU H 1 55 ARG QG 5.000 . 6.000 4.054 3.551 4.484 . 0 0 "[ . 1 . 2]" 1
500 1 52 GLU H 1 55 ARG H 5.000 . 5.000 3.540 3.515 3.560 . 0 0 "[ . 1 . 2]" 1
501 1 52 GLU H 1 56 LEU QD 5.000 . 7.400 3.753 3.595 3.935 . 0 0 "[ . 1 . 2]" 1
502 1 53 PRO QB 1 54 SER H 5.000 . 6.000 2.725 2.508 2.952 . 0 0 "[ . 1 . 2]" 1
503 1 53 PRO QG 1 54 SER H 3.500 . 4.500 3.148 2.447 3.808 . 0 0 "[ . 1 . 2]" 1
504 1 54 SER HA 1 55 ARG H 3.500 . 3.500 3.502 3.490 3.515 0.015 12 0 "[ . 1 . 2]" 1
505 1 54 SER H 1 54 SER QB 3.500 . 4.100 2.374 2.097 2.854 . 0 0 "[ . 1 . 2]" 1
506 1 54 SER QB 1 55 ARG H 5.000 . 6.000 2.960 2.685 3.495 . 0 0 "[ . 1 . 2]" 1
507 1 54 SER H 1 55 ARG H 5.000 . 5.000 2.521 2.491 2.538 . 0 0 "[ . 1 . 2]" 1
508 1 55 ARG HA 1 56 LEU H 5.000 . 5.000 3.354 3.278 3.394 . 0 0 "[ . 1 . 2]" 1
509 1 55 ARG HA 1 58 LEU H 5.000 . 5.000 3.853 3.788 3.910 . 0 0 "[ . 1 . 2]" 1
510 1 55 ARG H 1 55 ARG QB 3.500 . 4.100 2.447 2.296 2.556 . 0 0 "[ . 1 . 2]" 1
511 1 55 ARG QB 1 56 LEU H 5.000 . 6.000 3.236 3.130 3.400 . 0 0 "[ . 1 . 2]" 1
512 1 55 ARG H 1 55 ARG QD 5.000 . 6.000 3.555 3.024 4.159 . 0 0 "[ . 1 . 2]" 1
513 1 55 ARG H 1 55 ARG QG 3.500 . 4.500 2.522 2.156 3.091 . 0 0 "[ . 1 . 2]" 1
514 1 55 ARG H 1 56 LEU QD 5.000 . 7.400 4.586 4.448 4.709 . 0 0 "[ . 1 . 2]" 1
515 1 55 ARG H 1 56 LEU H 2.900 . 2.900 2.346 2.276 2.394 . 0 0 "[ . 1 . 2]" 1
516 1 55 ARG H 1 57 PRO QD 5.000 . 6.000 3.538 3.478 3.651 . 0 0 "[ . 1 . 2]" 1
517 1 56 LEU H 1 56 LEU QB 3.500 . 4.100 2.227 2.160 2.304 . 0 0 "[ . 1 . 2]" 1
518 1 56 LEU H 1 56 LEU QD 2.900 . 4.600 3.292 3.197 3.405 . 0 0 "[ . 1 . 2]" 1
519 1 56 LEU H 1 56 LEU HG 2.900 . 2.900 2.727 2.571 2.905 0.005 6 0 "[ . 1 . 2]" 1
520 1 56 LEU H 1 57 PRO QD 3.500 . 4.500 2.172 1.992 2.287 . 0 0 "[ . 1 . 2]" 1
521 1 57 PRO HA 1 58 LEU H 5.000 . 5.000 3.531 3.515 3.548 . 0 0 "[ . 1 . 2]" 1
522 1 57 PRO HA 1 59 PHE H 5.000 . 5.000 4.252 3.967 4.406 . 0 0 "[ . 1 . 2]" 1
523 1 57 PRO QB 1 58 LEU H 3.500 . 4.500 2.898 2.731 3.136 . 0 0 "[ . 1 . 2]" 1
524 1 57 PRO QD 1 58 LEU H 5.000 . 6.000 3.209 3.075 3.433 . 0 0 "[ . 1 . 2]" 1
525 1 58 LEU HA 1 59 PHE H 5.000 . 5.000 3.506 3.486 3.534 . 0 0 "[ . 1 . 2]" 1
526 1 58 LEU HA 1 60 ASP H 5.000 . 5.000 4.436 4.213 4.580 . 0 0 "[ . 1 . 2]" 1
527 1 58 LEU HA 1 61 ALA H 5.000 . 5.000 3.277 3.118 3.444 . 0 0 "[ . 1 . 2]" 1
528 1 58 LEU HA 1 62 ILE H 5.000 . 5.000 3.666 3.537 3.783 . 0 0 "[ . 1 . 2]" 1
529 1 58 LEU H 1 58 LEU QB 2.900 . 3.500 2.562 2.230 2.673 . 0 0 "[ . 1 . 2]" 1
530 1 58 LEU QB 1 59 PHE H 5.000 . 6.000 2.725 2.602 2.836 . 0 0 "[ . 1 . 2]" 1
531 1 58 LEU H 1 58 LEU QD 2.900 . 4.600 2.896 2.541 3.118 . 0 0 "[ . 1 . 2]" 1
532 1 58 LEU QD 1 59 PHE H 5.000 . 7.400 4.044 3.943 4.184 . 0 0 "[ . 1 . 2]" 1
533 1 58 LEU QD 1 61 ALA H 5.000 . 7.400 4.880 4.582 5.114 . 0 0 "[ . 1 . 2]" 1
534 1 58 LEU H 1 58 LEU HG 3.500 . 3.500 2.073 1.904 2.905 . 0 0 "[ . 1 . 2]" 1
535 1 58 LEU HG 1 59 PHE H 5.000 . 5.000 4.147 3.937 4.819 . 0 0 "[ . 1 . 2]" 1
536 1 58 LEU H 1 59 PHE H 3.500 . 3.500 2.552 2.478 2.678 . 0 0 "[ . 1 . 2]" 1
537 1 58 LEU H 1 60 ASP H 5.000 . 5.000 4.294 4.147 4.409 . 0 0 "[ . 1 . 2]" 1
538 1 58 LEU H 1 61 ALA H 5.000 . 5.000 4.606 4.536 4.756 . 0 0 "[ . 1 . 2]" 1
539 1 59 PHE HA 1 60 ASP H 5.000 . 5.000 3.542 3.527 3.556 . 0 0 "[ . 1 . 2]" 1
540 1 59 PHE HA 1 62 ILE H 5.000 . 5.000 4.127 3.953 4.247 . 0 0 "[ . 1 . 2]" 1
541 1 59 PHE HA 1 63 ARG H 5.000 . 5.000 4.286 4.041 4.523 . 0 0 "[ . 1 . 2]" 1
542 1 59 PHE H 1 59 PHE QB 2.900 . 3.500 2.059 2.041 2.092 . 0 0 "[ . 1 . 2]" 1
543 1 59 PHE QB 1 60 ASP H 5.000 . 6.000 2.588 2.456 2.720 . 0 0 "[ . 1 . 2]" 1
544 1 59 PHE H 1 59 PHE QD 3.500 . 5.500 3.522 2.748 4.006 . 0 0 "[ . 1 . 2]" 1
545 1 59 PHE H 1 59 PHE QE 5.000 . 7.000 5.622 5.056 5.911 . 0 0 "[ . 1 . 2]" 1
546 1 59 PHE H 1 60 ASP H 2.900 . 2.900 2.702 2.543 2.809 . 0 0 "[ . 1 . 2]" 1
547 1 59 PHE H 1 61 ALA H 5.000 . 5.000 3.853 3.784 3.895 . 0 0 "[ . 1 . 2]" 1
548 1 60 ASP H 1 60 ASP HA 2.900 . 2.900 2.864 2.862 2.866 . 0 0 "[ . 1 . 2]" 1
549 1 60 ASP HA 1 61 ALA H 5.000 . 5.000 3.478 3.475 3.481 . 0 0 "[ . 1 . 2]" 1
550 1 60 ASP HA 1 63 ARG H 5.000 . 5.000 3.674 3.529 3.862 . 0 0 "[ . 1 . 2]" 1
551 1 60 ASP H 1 60 ASP QB 2.900 . 3.500 2.232 2.078 2.710 . 0 0 "[ . 1 . 2]" 1
552 1 60 ASP QB 1 61 ALA H 3.500 . 4.500 2.859 2.774 3.479 . 0 0 "[ . 1 . 2]" 1
553 1 60 ASP H 1 61 ALA MB 3.500 . 5.000 4.004 3.959 4.096 . 0 0 "[ . 1 . 2]" 1
554 1 60 ASP H 1 61 ALA H 2.900 . 2.900 2.429 2.420 2.438 . 0 0 "[ . 1 . 2]" 1
555 1 61 ALA H 1 61 ALA HA 2.900 . 2.900 2.807 2.793 2.830 . 0 0 "[ . 1 . 2]" 1
556 1 61 ALA HA 1 62 ILE H 5.000 . 5.000 3.568 3.557 3.579 . 0 0 "[ . 1 . 2]" 1
557 1 61 ALA HA 1 63 ARG H 5.000 . 5.000 4.460 4.282 4.684 . 0 0 "[ . 1 . 2]" 1
558 1 61 ALA H 1 61 ALA MB 2.900 . 4.000 2.066 1.994 2.213 . 0 0 "[ . 1 . 2]" 1
559 1 61 ALA MB 1 62 ILE H 3.500 . 5.000 2.275 2.119 2.461 . 0 0 "[ . 1 . 2]" 1
560 1 61 ALA MB 1 63 ARG H 5.000 . 6.500 4.260 4.080 4.381 . 0 0 "[ . 1 . 2]" 1
561 1 61 ALA H 1 63 ARG H 5.000 . 5.000 3.953 3.739 4.069 . 0 0 "[ . 1 . 2]" 1
562 1 62 ILE HA 1 63 ARG H 3.500 . 3.500 3.502 3.466 3.522 0.022 17 0 "[ . 1 . 2]" 1
563 1 62 ILE H 1 62 ILE HB 2.900 . 2.900 2.119 2.065 2.167 . 0 0 "[ . 1 . 2]" 1
564 1 62 ILE HB 1 63 ARG H 3.500 . 3.500 3.541 3.520 3.561 0.061 11 0 "[ . 1 . 2]" 1
565 1 62 ILE H 1 62 ILE MD 3.500 . 5.000 3.848 3.549 3.984 . 0 0 "[ . 1 . 2]" 1
566 1 62 ILE MD 1 63 ARG H 5.000 . 6.500 4.986 4.934 5.062 . 0 0 "[ . 1 . 2]" 1
567 1 62 ILE H 1 62 ILE QG 3.500 . 4.500 3.781 3.669 3.933 . 0 0 "[ . 1 . 2]" 1
568 1 62 ILE QG 1 63 ARG H 5.000 . 6.000 4.315 4.214 4.433 . 0 0 "[ . 1 . 2]" 1
569 1 62 ILE H 1 62 ILE MG 3.500 . 5.000 2.865 2.758 2.976 . 0 0 "[ . 1 . 2]" 1
570 1 62 ILE MG 1 63 ARG H 5.000 . 6.500 2.086 1.944 2.302 . 0 0 "[ . 1 . 2]" 1
571 1 62 ILE MG 1 65 LEU H 5.000 . 6.500 4.380 4.277 4.498 . 0 0 "[ . 1 . 2]" 1
572 1 62 ILE MG 1 66 ILE H 5.000 . 6.500 4.078 3.885 4.260 . 0 0 "[ . 1 . 2]" 1
573 1 62 ILE H 1 63 ARG H 2.900 . 2.900 2.665 2.584 2.756 . 0 0 "[ . 1 . 2]" 1
574 1 62 ILE H 1 65 LEU QD 5.000 . 7.400 4.361 4.100 4.639 . 0 0 "[ . 1 . 2]" 1
575 1 62 ILE H 1 74 TYR HH 5.000 . 5.000 4.994 4.859 5.015 0.015 10 0 "[ . 1 . 2]" 1
576 1 63 ARG HA 1 66 ILE H 5.000 . 5.000 3.497 3.403 3.703 . 0 0 "[ . 1 . 2]" 1
577 1 63 ARG H 1 65 LEU H 5.000 . 5.000 4.392 4.302 4.495 . 0 0 "[ . 1 . 2]" 1
578 1 63 ARG H 1 66 ILE MD 5.000 . 6.500 3.957 3.521 4.219 . 0 0 "[ . 1 . 2]" 1
579 1 63 ARG H 1 74 TYR QE 3.500 . 5.500 4.472 3.245 4.951 . 0 0 "[ . 1 . 2]" 1
580 1 63 ARG H 1 74 TYR HH 5.000 . 5.000 3.886 3.323 4.245 . 0 0 "[ . 1 . 2]" 1
581 1 64 PRO HA 1 65 LEU H 5.000 . 5.000 3.530 3.500 3.545 . 0 0 "[ . 1 . 2]" 1
582 1 64 PRO HA 1 71 GLN QE 5.000 . 6.000 3.490 2.111 5.018 . 0 0 "[ . 1 . 2]" 1
583 1 64 PRO QD 1 65 LEU H 5.000 . 6.000 3.268 3.132 3.372 . 0 0 "[ . 1 . 2]" 1
584 1 65 LEU HA 2 4 LEU H 5.000 . 5.000 3.901 3.373 4.550 . 0 0 "[ . 1 . 2]" 1
585 1 65 LEU HA 1 66 ILE H 5.000 . 5.000 3.523 3.500 3.537 . 0 0 "[ . 1 . 2]" 1
586 1 65 LEU QB 2 4 LEU H 5.000 . 6.000 2.644 2.132 3.233 . 0 0 "[ . 1 . 2]" 1
587 1 65 LEU H 1 65 LEU QB 2.900 . 3.500 2.629 2.598 2.675 . 0 0 "[ . 1 . 2]" 1
588 1 65 LEU QB 1 66 ILE H 5.000 . 6.000 2.262 2.138 2.422 . 0 0 "[ . 1 . 2]" 1
589 1 65 LEU QD 2 3 LEU H 5.000 . 7.400 4.283 3.834 5.057 . 0 0 "[ . 1 . 2]" 1
590 1 65 LEU QD 2 4 LEU H 5.000 . 7.400 3.232 2.985 3.697 . 0 0 "[ . 1 . 2]" 1
591 1 65 LEU QD 2 7 VAL H 5.000 . 7.400 3.513 3.315 3.753 . 0 0 "[ . 1 . 2]" 1
592 1 65 LEU H 1 65 LEU QD 3.500 . 5.200 2.866 2.757 2.927 . 0 0 "[ . 1 . 2]" 1
593 1 65 LEU H 1 65 LEU HG 2.900 . 2.900 1.928 1.850 1.986 . 0 0 "[ . 1 . 2]" 1
594 1 65 LEU H 1 66 ILE MD 3.500 . 5.000 3.851 3.500 4.011 . 0 0 "[ . 1 . 2]" 1
595 1 65 LEU H 1 66 ILE MG 5.000 . 6.500 5.500 5.454 5.562 . 0 0 "[ . 1 . 2]" 1
596 1 65 LEU H 1 66 ILE H 2.900 . 2.900 2.631 2.539 2.703 . 0 0 "[ . 1 . 2]" 1
597 1 66 ILE H 1 66 ILE HB 2.900 . 2.900 2.228 2.179 2.326 . 0 0 "[ . 1 . 2]" 1
598 1 66 ILE H 1 66 ILE MD 3.500 . 5.000 2.216 2.004 2.539 . 0 0 "[ . 1 . 2]" 1
599 1 66 ILE H 1 66 ILE QG 2.900 . 3.900 3.163 2.647 3.377 . 0 0 "[ . 1 . 2]" 1
600 1 66 ILE H 1 66 ILE MG 3.500 . 5.000 3.641 3.604 3.688 . 0 0 "[ . 1 . 2]" 1
601 1 66 ILE MG 1 70 HIS H 3.500 . 5.000 3.598 3.442 3.748 . 0 0 "[ . 1 . 2]" 1
602 1 66 ILE MG 1 71 GLN QE 5.000 . 7.500 3.897 2.444 4.785 . 0 0 "[ . 1 . 2]" 1
603 1 66 ILE MG 1 71 GLN H 3.500 . 5.000 2.532 2.413 2.664 . 0 0 "[ . 1 . 2]" 1
604 1 66 ILE MG 1 74 TYR H 5.000 . 6.500 3.785 3.594 3.965 . 0 0 "[ . 1 . 2]" 1
605 1 67 PRO HA 1 68 LEU H 2.900 . 2.900 2.379 2.369 2.385 . 0 0 "[ . 1 . 2]" 1
606 1 67 PRO HA 1 69 LYS H 5.000 . 5.000 4.689 4.569 4.758 . 0 0 "[ . 1 . 2]" 1
607 1 67 PRO QB 1 68 LEU H 5.000 . 6.000 2.665 2.604 2.682 . 0 0 "[ . 1 . 2]" 1
608 1 67 PRO QB 1 69 LYS H 5.000 . 6.000 3.080 2.787 3.232 . 0 0 "[ . 1 . 2]" 1
609 1 68 LEU H 1 68 LEU HA 2.900 . 2.900 2.773 2.754 2.785 . 0 0 "[ . 1 . 2]" 1
610 1 68 LEU HA 1 69 LYS H 5.000 . 5.000 3.568 3.561 3.572 . 0 0 "[ . 1 . 2]" 1
611 1 68 LEU HA 1 70 HIS H 5.000 . 5.000 4.832 4.624 5.013 0.013 16 0 "[ . 1 . 2]" 1
612 1 68 LEU HA 1 71 GLN H 3.500 . 3.500 3.509 3.483 3.519 0.019 6 0 "[ . 1 . 2]" 1
613 1 68 LEU H 1 68 LEU QB 2.900 . 3.500 2.200 2.030 2.510 . 0 0 "[ . 1 . 2]" 1
614 1 68 LEU QB 1 69 LYS H 2.900 . 3.900 2.318 2.163 2.520 . 0 0 "[ . 1 . 2]" 1
615 1 68 LEU H 1 68 LEU QD 3.500 . 5.200 3.176 2.227 3.720 . 0 0 "[ . 1 . 2]" 1
616 1 68 LEU H 1 69 LYS H 2.900 . 2.900 2.914 2.857 2.933 0.033 9 0 "[ . 1 . 2]" 1
617 1 68 LEU H 1 70 HIS H 5.000 . 5.000 4.388 4.119 4.692 . 0 0 "[ . 1 . 2]" 1
618 1 69 LYS HA 1 70 HIS H 5.000 . 5.000 3.558 3.542 3.576 . 0 0 "[ . 1 . 2]" 1
619 1 69 LYS HA 1 71 GLN H 5.000 . 5.000 4.044 3.908 4.175 . 0 0 "[ . 1 . 2]" 1
620 1 69 LYS H 1 69 LYS QB 3.500 . 4.100 2.408 2.060 2.753 . 0 0 "[ . 1 . 2]" 1
621 1 69 LYS QB 1 70 HIS H 5.000 . 6.000 2.609 2.086 3.233 . 0 0 "[ . 1 . 2]" 1
622 1 69 LYS QB 1 71 GLN H 5.000 . 6.000 4.478 4.147 4.794 . 0 0 "[ . 1 . 2]" 1
623 1 69 LYS H 1 69 LYS QG 3.500 . 4.500 2.943 1.884 4.038 . 0 0 "[ . 1 . 2]" 1
624 1 69 LYS QG 1 70 HIS H 5.000 . 6.000 3.012 1.868 4.154 . 0 0 "[ . 1 . 2]" 1
625 1 69 LYS H 1 70 HIS H 3.500 . 3.500 2.829 2.664 2.945 . 0 0 "[ . 1 . 2]" 1
626 1 69 LYS H 1 71 GLN H 5.000 . 5.000 3.831 3.708 3.905 . 0 0 "[ . 1 . 2]" 1
627 1 70 HIS HA 1 71 GLN H 3.500 . 3.500 3.472 3.434 3.501 0.001 6 0 "[ . 1 . 2]" 1
628 1 70 HIS HA 1 72 VAL H 5.000 . 5.000 4.357 4.126 4.681 . 0 0 "[ . 1 . 2]" 1
629 1 70 HIS HA 1 73 GLU H 5.000 . 5.000 3.311 3.231 3.402 . 0 0 "[ . 1 . 2]" 1
630 1 70 HIS H 1 70 HIS QB 3.500 . 4.100 2.337 2.274 2.450 . 0 0 "[ . 1 . 2]" 1
631 1 70 HIS QB 1 71 GLN H 5.000 . 6.000 2.900 2.825 3.043 . 0 0 "[ . 1 . 2]" 1
632 1 70 HIS H 1 70 HIS HD2 5.000 . 5.000 2.698 2.250 2.939 . 0 0 "[ . 1 . 2]" 1
633 1 70 HIS HD2 1 71 GLN H 5.000 . 5.000 4.912 4.656 5.012 0.012 19 0 "[ . 1 . 2]" 1
634 1 70 HIS H 1 71 GLN H 2.900 . 2.900 2.626 2.570 2.659 . 0 0 "[ . 1 . 2]" 1
635 1 70 HIS H 1 72 VAL H 5.000 . 5.000 4.416 4.113 4.696 . 0 0 "[ . 1 . 2]" 1
636 1 71 GLN HA 1 72 VAL H 3.500 . 3.500 3.531 3.489 3.554 0.054 12 0 "[ . 1 . 2]" 1
637 1 71 GLN HA 1 73 GLU H 5.000 . 5.000 4.485 4.253 4.686 . 0 0 "[ . 1 . 2]" 1
638 1 71 GLN H 1 71 GLN QB 2.900 . 3.500 2.074 2.041 2.297 . 0 0 "[ . 1 . 2]" 1
639 1 71 GLN QB 1 72 VAL H 2.900 . 3.900 2.651 2.417 3.497 . 0 0 "[ . 1 . 2]" 1
640 1 71 GLN H 1 71 GLN QG 2.900 . 3.900 3.264 2.766 3.442 . 0 0 "[ . 1 . 2]" 1
641 1 71 GLN H 1 72 VAL QG 5.000 . 7.400 3.842 3.677 3.963 . 0 0 "[ . 1 . 2]" 1
642 1 71 GLN H 1 72 VAL H 3.500 . 3.500 2.652 2.491 2.797 . 0 0 "[ . 1 . 2]" 1
643 1 72 VAL H 1 72 VAL HA 2.900 . 2.900 2.817 2.798 2.838 . 0 0 "[ . 1 . 2]" 1
644 1 72 VAL HA 1 73 GLU H 3.500 . 3.500 3.530 3.508 3.540 0.040 13 0 "[ . 1 . 2]" 1
645 1 72 VAL HA 1 75 ASP H 5.000 . 5.000 3.570 3.382 3.700 . 0 0 "[ . 1 . 2]" 1
646 1 72 VAL H 1 72 VAL HB 2.900 . 2.900 2.643 2.596 2.693 . 0 0 "[ . 1 . 2]" 1
647 1 72 VAL H 1 72 VAL QG 2.900 . 4.600 2.020 1.950 2.153 . 0 0 "[ . 1 . 2]" 1
648 1 72 VAL QG 1 73 GLU H 2.900 . 5.300 2.953 1.944 3.235 . 0 0 "[ . 1 . 2]" 1
649 1 72 VAL QG 1 75 ASP H 5.000 . 7.400 4.407 4.123 4.540 . 0 0 "[ . 1 . 2]" 1
650 1 72 VAL QG 1 76 GLN QE 3.500 . 6.900 3.024 1.877 3.914 . 0 0 "[ . 1 . 2]" 1
651 1 72 VAL H 1 73 GLU H 2.900 . 2.900 2.641 2.587 2.696 . 0 0 "[ . 1 . 2]" 1
652 1 72 VAL H 1 74 TYR H 5.000 . 5.000 3.922 3.773 4.172 . 0 0 "[ . 1 . 2]" 1
653 1 73 GLU H 1 73 GLU HA 2.900 . 2.900 2.838 2.821 2.856 . 0 0 "[ . 1 . 2]" 1
654 1 73 GLU HA 1 74 TYR H 5.000 . 5.000 3.502 3.466 3.550 . 0 0 "[ . 1 . 2]" 1
655 1 73 GLU HA 1 75 ASP H 5.000 . 5.000 4.445 4.228 4.589 . 0 0 "[ . 1 . 2]" 1
656 1 73 GLU HA 1 76 GLN QE 5.000 . 6.000 3.711 1.973 5.179 . 0 0 "[ . 1 . 2]" 1
657 1 73 GLU H 1 73 GLU QB 2.900 . 3.500 2.183 2.051 2.261 . 0 0 "[ . 1 . 2]" 1
658 1 73 GLU QB 1 74 TYR H 3.500 . 4.500 2.717 2.454 2.965 . 0 0 "[ . 1 . 2]" 1
659 1 73 GLU H 1 73 GLU QG 3.500 . 4.500 3.879 3.430 4.062 . 0 0 "[ . 1 . 2]" 1
660 1 73 GLU QG 1 74 TYR H 5.000 . 6.000 4.134 3.653 4.537 . 0 0 "[ . 1 . 2]" 1
661 1 73 GLU H 1 74 TYR H 2.900 . 2.900 2.553 2.494 2.662 . 0 0 "[ . 1 . 2]" 1
662 1 73 GLU H 1 75 ASP H 5.000 . 5.000 4.226 3.956 4.484 . 0 0 "[ . 1 . 2]" 1
663 1 74 TYR H 1 74 TYR HA 2.900 . 2.900 2.814 2.794 2.848 . 0 0 "[ . 1 . 2]" 1
664 1 74 TYR HA 1 75 ASP H 3.500 . 3.500 3.531 3.512 3.545 0.045 17 0 "[ . 1 . 2]" 1
665 1 74 TYR HA 1 76 GLN H 5.000 . 5.000 4.478 4.263 4.725 . 0 0 "[ . 1 . 2]" 1
666 1 74 TYR HA 1 77 LEU H 5.000 . 5.000 3.526 3.418 3.729 . 0 0 "[ . 1 . 2]" 1
667 1 74 TYR H 1 74 TYR QB 2.900 . 3.500 2.218 2.101 2.258 . 0 0 "[ . 1 . 2]" 1
668 1 74 TYR QB 1 75 ASP H 3.500 . 4.500 2.466 2.283 2.642 . 0 0 "[ . 1 . 2]" 1
669 1 74 TYR H 1 74 TYR QD 3.500 . 5.500 4.126 3.834 4.198 . 0 0 "[ . 1 . 2]" 1
670 1 74 TYR QD 1 75 ASP H 3.500 . 5.500 3.571 3.016 4.123 . 0 0 "[ . 1 . 2]" 1
671 1 74 TYR H 1 75 ASP H 2.900 . 2.900 2.661 2.544 2.762 . 0 0 "[ . 1 . 2]" 1
672 1 74 TYR H 1 76 GLN H 5.000 . 5.000 4.099 3.916 4.406 . 0 0 "[ . 1 . 2]" 1
673 1 74 TYR H 1 78 THR MG 5.000 . 6.500 5.343 5.251 5.426 . 0 0 "[ . 1 . 2]" 1
674 1 75 ASP HA 1 76 GLN H 5.000 . 5.000 3.536 3.497 3.561 . 0 0 "[ . 1 . 2]" 1
675 1 75 ASP H 1 75 ASP QB 2.900 . 3.500 2.147 2.051 2.420 . 0 0 "[ . 1 . 2]" 1
676 1 75 ASP QB 1 76 GLN H 3.500 . 4.500 2.617 2.441 2.779 . 0 0 "[ . 1 . 2]" 1
677 1 75 ASP H 1 76 GLN QB 5.000 . 6.000 4.568 4.300 4.874 . 0 0 "[ . 1 . 2]" 1
678 1 75 ASP H 1 76 GLN H 2.900 . 2.900 2.670 2.572 2.785 . 0 0 "[ . 1 . 2]" 1
679 1 75 ASP H 1 77 LEU H 5.000 . 5.000 4.055 3.742 4.343 . 0 0 "[ . 1 . 2]" 1
680 1 75 ASP H 1 78 THR H 5.000 . 5.000 4.703 4.477 4.898 . 0 0 "[ . 1 . 2]" 1
681 1 76 GLN H 1 76 GLN HA 2.900 . 2.900 2.814 2.788 2.830 . 0 0 "[ . 1 . 2]" 1
682 1 76 GLN HA 1 78 THR H 5.000 . 5.000 4.311 4.096 4.567 . 0 0 "[ . 1 . 2]" 1
683 1 76 GLN H 1 76 GLN QB 2.900 . 3.500 2.324 2.072 2.610 . 0 0 "[ . 1 . 2]" 1
684 1 76 GLN QB 1 77 LEU H 3.500 . 4.500 2.778 2.433 3.124 . 0 0 "[ . 1 . 2]" 1
685 1 76 GLN H 1 76 GLN QG 2.900 . 3.900 2.497 1.947 3.166 . 0 0 "[ . 1 . 2]" 1
686 1 76 GLN H 1 77 LEU H 2.900 . 2.900 2.654 2.587 2.760 . 0 0 "[ . 1 . 2]" 1
687 1 76 GLN H 1 78 THR H 5.000 . 5.000 4.063 3.871 4.286 . 0 0 "[ . 1 . 2]" 1
688 1 77 LEU H 1 77 LEU HA 2.900 . 2.900 2.873 2.797 2.912 0.012 2 0 "[ . 1 . 2]" 1
689 1 77 LEU HA 1 78 THR H 3.500 . 3.500 3.492 3.449 3.515 0.015 17 0 "[ . 1 . 2]" 1
690 1 77 LEU H 1 77 LEU QB 2.900 . 3.500 2.389 2.248 2.589 . 0 0 "[ . 1 . 2]" 1
691 1 77 LEU QB 1 78 THR H 3.500 . 4.500 2.801 2.639 3.026 . 0 0 "[ . 1 . 2]" 1
692 1 77 LEU H 1 77 LEU QD 2.900 . 4.600 3.155 2.865 3.390 . 0 0 "[ . 1 . 2]" 1
693 1 77 LEU QD 1 78 THR H 3.500 . 5.900 4.142 3.885 4.332 . 0 0 "[ . 1 . 2]" 1
694 1 77 LEU H 1 77 LEU HG 2.900 . 2.900 2.537 1.996 2.911 0.011 9 0 "[ . 1 . 2]" 1
695 1 77 LEU HG 1 78 THR H 5.000 . 5.000 4.505 4.195 4.748 . 0 0 "[ . 1 . 2]" 1
696 1 77 LEU H 1 78 THR MG 5.000 . 6.500 3.734 3.293 4.167 . 0 0 "[ . 1 . 2]" 1
697 1 77 LEU H 1 78 THR H 2.900 . 2.900 2.431 2.280 2.691 . 0 0 "[ . 1 . 2]" 1
698 1 78 THR H 1 78 THR MG 2.900 . 4.400 2.153 1.850 2.656 . 0 0 "[ . 1 . 2]" 1
699 1 78 THR H 1 79 PRO QD 5.000 . 6.000 3.386 2.096 4.419 . 0 0 "[ . 1 . 2]" 1
700 2 2 SER HA 2 3 LEU H 3.500 . 3.500 2.639 2.144 3.537 0.037 8 0 "[ . 1 . 2]" 1
701 2 2 SER HA 2 4 LEU H 5.000 . 5.000 3.963 3.440 5.001 0.001 5 0 "[ . 1 . 2]" 1
702 2 2 SER HA 2 5 LYS H 5.000 . 5.000 4.187 3.545 4.908 . 0 0 "[ . 1 . 2]" 1
703 2 2 SER QB 2 3 LEU H 5.000 . 6.000 3.364 1.990 3.984 . 0 0 "[ . 1 . 2]" 1
704 2 3 LEU HA 2 4 LEU H 5.000 . 5.000 3.528 3.469 3.585 . 0 0 "[ . 1 . 2]" 1
705 2 3 LEU HA 2 6 GLU H 5.000 . 5.000 3.334 3.178 3.608 . 0 0 "[ . 1 . 2]" 1
706 2 3 LEU HA 2 7 VAL H 5.000 . 5.000 4.515 4.251 4.602 . 0 0 "[ . 1 . 2]" 1
707 2 3 LEU H 2 3 LEU QB 3.500 . 4.100 2.487 2.046 3.401 . 0 0 "[ . 1 . 2]" 1
708 2 3 LEU QB 2 4 LEU H 2.900 . 3.900 2.635 2.214 2.912 . 0 0 "[ . 1 . 2]" 1
709 2 3 LEU H 2 3 LEU QD 3.500 . 5.200 3.279 2.128 3.819 . 0 0 "[ . 1 . 2]" 1
710 2 3 LEU QD 2 4 LEU H 5.000 . 7.400 3.998 3.435 4.289 . 0 0 "[ . 1 . 2]" 1
711 2 3 LEU H 2 3 LEU HG 3.500 . 3.500 3.036 2.102 3.504 0.004 17 0 "[ . 1 . 2]" 1
712 2 4 LEU HA 2 5 LYS H 5.000 . 5.000 3.550 3.508 3.565 . 0 0 "[ . 1 . 2]" 1
713 2 4 LEU H 2 4 LEU QB 2.900 . 3.500 2.344 2.046 2.757 . 0 0 "[ . 1 . 2]" 1
714 2 4 LEU H 2 4 LEU QD 3.500 . 5.200 2.950 1.891 3.710 . 0 0 "[ . 1 . 2]" 1
715 2 4 LEU QD 2 5 LYS H 5.000 . 7.400 3.220 1.905 3.845 . 0 0 "[ . 1 . 2]" 1
716 2 4 LEU H 2 5 LYS H 3.500 . 3.500 2.860 2.732 2.929 . 0 0 "[ . 1 . 2]" 1
717 2 5 LYS HA 2 6 GLU H 5.000 . 5.000 3.500 3.490 3.533 . 0 0 "[ . 1 . 2]" 1
718 2 5 LYS HA 2 8 LEU H 5.000 . 5.000 3.462 3.288 3.757 . 0 0 "[ . 1 . 2]" 1
719 2 5 LYS HA 2 9 GLU H 5.000 . 5.000 4.074 3.581 4.382 . 0 0 "[ . 1 . 2]" 1
720 2 5 LYS H 2 5 LYS QB 2.900 . 3.500 2.262 2.044 2.674 . 0 0 "[ . 1 . 2]" 1
721 2 5 LYS QB 2 6 GLU H 2.900 . 3.900 2.842 2.514 3.510 . 0 0 "[ . 1 . 2]" 1
722 2 5 LYS H 2 5 LYS QG 3.500 . 4.500 3.567 2.040 3.981 . 0 0 "[ . 1 . 2]" 1
723 2 5 LYS QG 2 6 GLU H 5.000 . 6.000 3.863 1.983 4.607 . 0 0 "[ . 1 . 2]" 1
724 2 6 GLU H 2 6 GLU HA 2.900 . 2.900 2.824 2.797 2.844 . 0 0 "[ . 1 . 2]" 1
725 2 6 GLU HA 2 7 VAL H 3.500 . 3.500 3.519 3.496 3.538 0.038 15 0 "[ . 1 . 2]" 1
726 2 6 GLU HA 2 8 LEU H 5.000 . 5.000 4.494 4.233 4.924 . 0 0 "[ . 1 . 2]" 1
727 2 6 GLU HA 2 9 GLU H 5.000 . 5.000 3.655 3.493 3.833 . 0 0 "[ . 1 . 2]" 1
728 2 6 GLU H 2 6 GLU QB 3.500 . 4.100 2.136 2.042 2.567 . 0 0 "[ . 1 . 2]" 1
729 2 6 GLU QB 2 7 VAL H 3.500 . 4.500 2.727 2.604 2.849 . 0 0 "[ . 1 . 2]" 1
730 2 6 GLU H 2 6 GLU QG 3.500 . 4.500 3.458 1.973 4.028 . 0 0 "[ . 1 . 2]" 1
731 2 6 GLU H 2 7 VAL H 3.500 . 3.500 2.614 2.516 2.694 . 0 0 "[ . 1 . 2]" 1
732 2 6 GLU H 2 8 LEU H 5.000 . 5.000 4.166 4.001 4.444 . 0 0 "[ . 1 . 2]" 1
733 2 6 GLU H 2 9 GLU H 5.000 . 5.000 4.821 4.554 4.960 . 0 0 "[ . 1 . 2]" 1
734 2 7 VAL H 2 7 VAL HA 2.900 . 2.900 2.843 2.822 2.850 . 0 0 "[ . 1 . 2]" 1
735 2 7 VAL HA 2 8 LEU H 3.500 . 3.500 3.529 3.501 3.559 0.059 7 0 "[ . 1 . 2]" 1
736 2 7 VAL HA 2 10 ASP H 5.000 . 5.000 3.387 3.148 3.552 . 0 0 "[ . 1 . 2]" 1
737 2 7 VAL HA 2 11 TYR H 5.000 . 5.000 4.151 3.923 4.347 . 0 0 "[ . 1 . 2]" 1
738 2 7 VAL H 2 7 VAL HB 2.900 . 2.900 2.707 2.601 2.915 0.015 6 0 "[ . 1 . 2]" 1
739 2 7 VAL HB 2 8 LEU H 3.500 . 3.500 2.660 2.281 2.883 . 0 0 "[ . 1 . 2]" 1
740 2 7 VAL H 2 7 VAL QG 2.900 . 4.600 1.972 1.776 2.082 0.024 9 0 "[ . 1 . 2]" 1
741 2 7 VAL QG 2 8 LEU H 2.900 . 5.300 3.271 3.083 3.390 . 0 0 "[ . 1 . 2]" 1
742 2 7 VAL QG 2 10 ASP H 5.000 . 7.400 4.278 4.072 4.453 . 0 0 "[ . 1 . 2]" 1
743 2 7 VAL H 2 8 LEU H 3.500 . 3.500 2.602 2.545 2.754 . 0 0 "[ . 1 . 2]" 1
744 2 8 LEU HA 2 9 GLU H 5.000 . 5.000 3.534 3.498 3.546 . 0 0 "[ . 1 . 2]" 1
745 2 8 LEU HA 2 11 TYR H 5.000 . 5.000 3.692 3.450 4.043 . 0 0 "[ . 1 . 2]" 1
746 2 8 LEU H 2 8 LEU QB 3.500 . 4.100 2.771 2.560 2.849 . 0 0 "[ . 1 . 2]" 1
747 2 8 LEU QB 2 9 GLU H 3.500 . 4.500 2.693 2.489 3.494 . 0 0 "[ . 1 . 2]" 1
748 2 8 LEU H 2 8 LEU QD 3.500 . 5.200 2.274 1.995 2.947 . 0 0 "[ . 1 . 2]" 1
749 2 8 LEU QD 2 9 GLU H 3.500 . 5.900 3.480 2.208 3.810 . 0 0 "[ . 1 . 2]" 1
750 2 8 LEU H 2 8 LEU HG 2.900 . 2.900 1.969 1.931 2.035 . 0 0 "[ . 1 . 2]" 1
751 2 8 LEU HG 2 9 GLU H 3.500 . 3.500 3.274 2.219 3.525 0.025 10 0 "[ . 1 . 2]" 1
752 2 8 LEU H 2 9 GLU H 3.500 . 3.500 2.646 2.573 2.731 . 0 0 "[ . 1 . 2]" 1
753 2 9 GLU H 2 9 GLU HA 2.900 . 2.900 2.840 2.802 2.862 . 0 0 "[ . 1 . 2]" 1
754 2 9 GLU HA 2 10 ASP H 3.500 . 3.500 3.509 3.501 3.524 0.024 15 0 "[ . 1 . 2]" 1
755 2 9 GLU H 2 9 GLU QB 2.900 . 3.500 2.176 2.056 2.269 . 0 0 "[ . 1 . 2]" 1
756 2 9 GLU QB 2 10 ASP H 3.500 . 4.500 2.727 2.586 2.851 . 0 0 "[ . 1 . 2]" 1
757 2 9 GLU H 2 9 GLU QG 3.500 . 4.500 3.684 2.813 4.046 . 0 0 "[ . 1 . 2]" 1
758 2 9 GLU QG 2 10 ASP H 5.000 . 6.000 4.201 3.640 4.563 . 0 0 "[ . 1 . 2]" 1
759 2 9 GLU H 2 10 ASP H 3.500 . 3.500 2.543 2.467 2.668 . 0 0 "[ . 1 . 2]" 1
760 2 9 GLU H 2 11 TYR H 5.000 . 5.000 4.235 3.840 4.518 . 0 0 "[ . 1 . 2]" 1
761 2 10 ASP H 2 10 ASP HA 2.900 . 2.900 2.803 2.778 2.834 . 0 0 "[ . 1 . 2]" 1
762 2 10 ASP HA 2 11 TYR H 3.500 . 3.500 3.530 3.485 3.572 0.072 18 0 "[ . 1 . 2]" 1
763 2 10 ASP HA 2 13 ARG H 5.000 . 5.000 3.835 3.645 4.016 . 0 0 "[ . 1 . 2]" 1
764 2 10 ASP H 2 10 ASP QB 2.900 . 3.500 2.220 2.123 2.490 . 0 0 "[ . 1 . 2]" 1
765 2 10 ASP QB 2 11 TYR H 2.900 . 3.900 2.615 2.502 2.888 . 0 0 "[ . 1 . 2]" 1
766 2 10 ASP H 2 11 TYR H 3.500 . 3.500 2.708 2.549 2.895 . 0 0 "[ . 1 . 2]" 1
767 2 11 TYR H 2 11 TYR HA 2.900 . 2.900 2.852 2.834 2.887 . 0 0 "[ . 1 . 2]" 1
768 2 11 TYR HA 2 12 LEU H 3.500 . 3.500 3.539 3.495 3.559 0.059 20 0 "[ . 1 . 2]" 1
769 2 11 TYR HA 2 14 LEU H 5.000 . 5.000 3.139 2.955 3.253 . 0 0 "[ . 1 . 2]" 1
770 2 11 TYR H 2 11 TYR QB 2.900 . 3.500 2.152 2.064 2.690 . 0 0 "[ . 1 . 2]" 1
771 2 11 TYR QB 2 12 LEU H 3.500 . 4.500 2.530 2.237 3.538 . 0 0 "[ . 1 . 2]" 1
772 2 11 TYR H 2 11 TYR QD 3.500 . 5.500 3.852 3.000 4.156 . 0 0 "[ . 1 . 2]" 1
773 2 11 TYR QD 2 12 LEU H 3.500 . 5.500 4.211 2.604 4.506 . 0 0 "[ . 1 . 2]" 1
774 2 11 TYR H 2 11 TYR QE 5.000 . 7.000 5.770 4.342 6.157 . 0 0 "[ . 1 . 2]" 1
775 2 11 TYR QE 2 12 LEU H 5.000 . 7.000 6.257 3.796 6.534 . 0 0 "[ . 1 . 2]" 1
776 2 11 TYR H 2 12 LEU QB 5.000 . 6.000 4.383 4.152 4.942 . 0 0 "[ . 1 . 2]" 1
777 2 11 TYR H 2 12 LEU QD 5.000 . 7.400 4.798 4.143 5.118 . 0 0 "[ . 1 . 2]" 1
778 2 11 TYR H 2 12 LEU H 3.500 . 3.500 2.591 2.377 2.691 . 0 0 "[ . 1 . 2]" 1
779 2 12 LEU H 2 12 LEU HA 2.900 . 2.900 2.761 2.754 2.813 . 0 0 "[ . 1 . 2]" 1
780 2 12 LEU HA 2 13 ARG H 3.500 . 3.500 3.519 3.501 3.529 0.029 8 0 "[ . 1 . 2]" 1
781 2 12 LEU HA 2 14 LEU H 5.000 . 5.000 4.444 4.362 4.649 . 0 0 "[ . 1 . 2]" 1
782 2 12 LEU HA 2 15 LYS H 5.000 . 5.000 3.688 3.581 3.846 . 0 0 "[ . 1 . 2]" 1
783 2 12 LEU HA 2 16 LYS H 5.000 . 5.000 4.636 4.111 5.016 0.016 5 0 "[ . 1 . 2]" 1
784 2 12 LEU H 2 12 LEU QB 2.900 . 3.500 2.293 2.176 2.569 . 0 0 "[ . 1 . 2]" 1
785 2 12 LEU QB 2 13 ARG H 2.900 . 3.900 2.736 2.577 3.496 . 0 0 "[ . 1 . 2]" 1
786 2 12 LEU H 2 12 LEU QD 2.900 . 4.600 3.226 2.968 3.401 . 0 0 "[ . 1 . 2]" 1
787 2 12 LEU QD 2 13 ARG H 3.500 . 5.900 3.939 1.982 4.191 . 0 0 "[ . 1 . 2]" 1
788 2 12 LEU QD 2 16 LYS H 5.000 . 7.400 5.039 4.494 5.242 . 0 0 "[ . 1 . 2]" 1
789 2 12 LEU H 2 12 LEU HG 2.900 . 2.900 2.627 2.045 2.910 0.010 18 0 "[ . 1 . 2]" 1
790 2 12 LEU H 2 13 ARG H 2.900 . 2.900 2.784 2.583 2.822 . 0 0 "[ . 1 . 2]" 1
791 2 12 LEU H 2 14 LEU H 5.000 . 5.000 4.061 3.929 4.173 . 0 0 "[ . 1 . 2]" 1
792 2 13 ARG H 2 13 ARG HA 2.900 . 2.900 2.869 2.866 2.871 . 0 0 "[ . 1 . 2]" 1
793 2 13 ARG HA 2 14 LEU H 3.500 . 3.500 3.500 3.489 3.515 0.015 16 0 "[ . 1 . 2]" 1
794 2 13 ARG HA 2 15 LYS H 3.500 . 3.500 3.584 3.566 3.629 0.129 16 0 "[ . 1 . 2]" 1
795 2 13 ARG H 2 13 ARG QB 2.900 . 3.500 2.299 2.112 2.621 . 0 0 "[ . 1 . 2]" 1
796 2 13 ARG QB 2 14 LEU H 3.500 . 4.500 2.887 2.623 3.493 . 0 0 "[ . 1 . 2]" 1
797 2 13 ARG H 2 13 ARG QD 5.000 . 6.000 4.171 3.630 4.683 . 0 0 "[ . 1 . 2]" 1
798 2 13 ARG H 2 13 ARG QG 2.900 . 3.900 2.717 1.972 3.291 . 0 0 "[ . 1 . 2]" 1
799 2 13 ARG H 2 14 LEU H 2.900 . 2.900 2.418 2.394 2.468 . 0 0 "[ . 1 . 2]" 1
800 2 14 LEU H 2 14 LEU HA 2.900 . 2.900 2.832 2.793 2.872 . 0 0 "[ . 1 . 2]" 1
801 2 14 LEU H 2 14 LEU QB 2.900 . 3.500 2.078 2.034 2.151 . 0 0 "[ . 1 . 2]" 1
802 2 14 LEU H 2 14 LEU QD 2.900 . 4.600 3.177 2.613 3.519 . 0 0 "[ . 1 . 2]" 1
803 2 14 LEU QD 2 15 LYS H 3.500 . 5.900 4.323 2.946 4.500 . 0 0 "[ . 1 . 2]" 1
804 2 14 LEU H 2 15 LYS QG 5.000 . 6.000 4.245 3.630 5.029 . 0 0 "[ . 1 . 2]" 1
805 2 15 LYS H 2 15 LYS HA 2.900 . 2.900 2.891 2.846 2.932 0.032 16 0 "[ . 1 . 2]" 1
806 2 15 LYS HA 2 16 LYS H 3.500 . 3.500 3.529 3.440 3.544 0.044 13 0 "[ . 1 . 2]" 1
807 2 15 LYS H 2 15 LYS QB 2.900 . 3.500 2.392 2.096 3.028 . 0 0 "[ . 1 . 2]" 1
808 2 15 LYS QB 2 16 LYS H 3.500 . 4.500 2.307 1.929 3.640 . 0 0 "[ . 1 . 2]" 1
809 2 15 LYS H 2 15 LYS QD 2.900 . 3.900 3.431 3.193 3.567 . 0 0 "[ . 1 . 2]" 1
810 2 15 LYS H 2 15 LYS QG 2.900 . 3.900 2.629 1.658 3.362 0.142 12 0 "[ . 1 . 2]" 1
811 2 15 LYS QG 2 16 LYS H 3.500 . 4.500 3.814 2.538 4.052 . 0 0 "[ . 1 . 2]" 1
812 2 15 LYS H 2 16 LYS H 3.500 . 3.500 2.647 2.099 3.005 . 0 0 "[ . 1 . 2]" 1
813 2 16 LYS H 2 16 LYS HA 2.900 . 2.900 2.785 2.274 2.930 0.030 6 0 "[ . 1 . 2]" 1
814 2 16 LYS H 2 16 LYS QB 2.900 . 3.500 2.476 2.137 3.031 . 0 0 "[ . 1 . 2]" 1
815 2 16 LYS H 2 16 LYS QG 2.900 . 3.900 2.945 2.274 3.461 . 0 0 "[ . 1 . 2]" 1
816 1 2 ASP HA 1 5 VAL HB 5.000 . 5.000 4.410 3.610 5.009 0.009 2 0 "[ . 1 . 2]" 1
817 1 2 ASP HA 1 5 VAL QG 5.000 . 7.400 3.219 2.419 4.043 . 0 0 "[ . 1 . 2]" 1
818 1 3 ARG HA 1 3 ARG QD 3.300 . 4.300 3.468 2.623 3.922 . 0 0 "[ . 1 . 2]" 1
819 1 3 ARG HA 1 3 ARG QG 3.300 . 4.300 2.291 2.015 3.394 . 0 0 "[ . 1 . 2]" 1
820 1 3 ARG HA 1 6 ALA MB 3.300 . 4.800 2.909 2.642 3.178 . 0 0 "[ . 1 . 2]" 1
821 1 3 ARG QB 1 3 ARG QD 3.300 . 5.300 2.127 1.956 2.484 . 0 0 "[ . 1 . 2]" 1
822 1 3 ARG QB 1 6 ALA MB 5.900 . 8.400 4.313 3.920 4.549 . 0 0 "[ . 1 . 2]" 1
823 1 3 ARG QD 1 6 ALA MB 5.000 . 7.500 4.790 3.970 5.508 . 0 0 "[ . 1 . 2]" 1
824 1 4 LYS HA 1 4 LYS QE 5.900 . 6.900 3.927 1.967 5.327 . 0 0 "[ . 1 . 2]" 1
825 1 4 LYS HA 1 4 LYS QG 3.300 . 4.300 2.386 2.088 3.336 . 0 0 "[ . 1 . 2]" 1
826 1 4 LYS HA 1 7 ARG QB 2.700 . 3.700 2.981 2.775 3.140 . 0 0 "[ . 1 . 2]" 1
827 1 4 LYS QB 1 4 LYS QD 2.700 . 4.700 2.083 1.941 2.389 . 0 0 "[ . 1 . 2]" 1
828 1 4 LYS QE 1 4 LYS QG 2.700 . 4.700 2.135 1.969 2.289 . 0 0 "[ . 1 . 2]" 1
829 1 5 VAL HA 1 5 VAL QG 2.700 . 4.400 2.100 2.038 2.166 . 0 0 "[ . 1 . 2]" 1
830 1 5 VAL HA 1 8 GLU QB 3.300 . 4.300 2.391 2.251 2.560 . 0 0 "[ . 1 . 2]" 1
831 1 5 VAL HB 2 3 LEU QD 5.000 . 7.400 3.278 2.681 3.867 . 0 0 "[ . 1 . 2]" 1
832 1 5 VAL QG 2 3 LEU QD 2.700 . 7.500 3.272 2.825 3.670 . 0 0 "[ . 1 . 2]" 1
833 1 5 VAL QG 1 64 PRO QG 5.000 . 8.400 3.484 2.954 4.105 . 0 0 "[ . 1 . 2]" 1
834 1 5 VAL QG 1 65 LEU QD 3.300 . 8.100 3.786 3.651 3.905 . 0 0 "[ . 1 . 2]" 1
835 1 5 VAL QG 1 6 ALA HA 5.000 . 7.400 3.608 3.487 3.719 . 0 0 "[ . 1 . 2]" 1
836 1 6 ALA HA 2 3 LEU QD 5.000 . 7.400 4.384 3.640 4.787 . 0 0 "[ . 1 . 2]" 1
837 1 6 ALA HA 2 7 VAL QG 5.000 . 7.400 2.586 2.416 2.821 . 0 0 "[ . 1 . 2]" 1
838 1 6 ALA HA 1 9 PHE QB 5.000 . 6.000 3.618 3.540 3.704 . 0 0 "[ . 1 . 2]" 1
839 1 6 ALA MB 2 3 LEU QD 5.000 . 8.900 3.032 2.296 3.489 . 0 0 "[ . 1 . 2]" 1
840 1 6 ALA MB 2 6 GLU QB 5.000 . 7.500 2.767 2.282 3.159 . 0 0 "[ . 1 . 2]" 1
841 1 6 ALA MB 2 6 GLU QG 3.300 . 5.800 3.940 2.777 4.337 . 0 0 "[ . 1 . 2]" 1
842 1 6 ALA MB 2 7 VAL HA 3.300 . 4.800 2.582 2.196 2.894 . 0 0 "[ . 1 . 2]" 1
843 1 6 ALA MB 2 7 VAL HB 5.900 . 7.400 3.946 3.637 4.164 . 0 0 "[ . 1 . 2]" 1
844 1 6 ALA MB 2 7 VAL QG 2.700 . 6.600 1.711 1.634 1.829 0.166 19 0 "[ . 1 . 2]" 1
845 1 6 ALA MB 2 10 ASP QB 5.000 . 7.500 3.790 3.301 4.258 . 0 0 "[ . 1 . 2]" 1
846 1 6 ALA MB 1 65 LEU QD 5.900 . 9.800 2.541 2.254 2.907 . 0 0 "[ . 1 . 2]" 1
847 1 6 ALA MB 1 7 ARG HA 5.000 . 6.500 3.745 3.720 3.784 . 0 0 "[ . 1 . 2]" 1
848 1 6 ALA MB 1 7 ARG QB 5.000 . 7.500 3.743 3.706 3.827 . 0 0 "[ . 1 . 2]" 1
849 1 7 ARG HA 1 10 ARG QB 5.000 . 6.000 2.327 2.113 3.288 . 0 0 "[ . 1 . 2]" 1
850 1 7 ARG HA 1 7 ARG QD 3.300 . 4.300 3.279 2.183 3.981 . 0 0 "[ . 1 . 2]" 1
851 1 7 ARG HA 1 7 ARG QG 3.300 . 4.300 2.204 2.004 2.827 . 0 0 "[ . 1 . 2]" 1
852 1 7 ARG QB 1 7 ARG QD 2.700 . 4.700 2.104 1.933 2.378 . 0 0 "[ . 1 . 2]" 1
853 1 7 ARG QD 2 10 ASP HA 3.300 . 4.300 3.739 3.370 3.919 . 0 0 "[ . 1 . 2]" 1
854 1 8 GLU HA 1 11 HIS QB 2.700 . 3.700 2.697 2.527 2.867 . 0 0 "[ . 1 . 2]" 1
855 1 8 GLU HA 1 8 GLU QG 3.300 . 4.300 2.355 2.111 2.883 . 0 0 "[ . 1 . 2]" 1
856 1 9 PHE HA 1 12 LYS QB 5.000 . 6.000 2.666 2.313 2.938 . 0 0 "[ . 1 . 2]" 1
857 1 9 PHE HA 1 12 LYS QD 5.900 . 6.900 2.226 1.863 3.167 . 0 0 "[ . 1 . 2]" 1
858 1 9 PHE HA 1 61 ALA MB 5.000 . 6.500 3.334 3.073 3.567 . 0 0 "[ . 1 . 2]" 1
859 1 9 PHE QB 2 7 VAL QG 3.300 . 6.700 4.408 4.336 4.459 . 0 0 "[ . 1 . 2]" 1
860 1 9 PHE QB 1 65 LEU QD 5.900 . 9.300 4.290 4.079 4.523 . 0 0 "[ . 1 . 2]" 1
861 1 10 ARG HA 1 13 VAL HB 3.300 . 3.300 2.983 2.760 3.049 . 0 0 "[ . 1 . 2]" 1
862 1 10 ARG HA 1 13 VAL QG 3.300 . 5.700 1.932 1.879 1.964 . 0 0 "[ . 1 . 2]" 1
863 1 10 ARG QD 2 7 VAL QG 5.900 . 9.300 2.817 1.733 3.959 0.067 16 0 "[ . 1 . 2]" 1
864 1 11 HIS HA 1 14 ASP QB 3.300 . 4.300 3.038 2.883 3.123 . 0 0 "[ . 1 . 2]" 1
865 1 12 LYS HA 1 12 LYS QG 3.300 . 4.300 2.481 2.248 3.271 . 0 0 "[ . 1 . 2]" 1
866 1 12 LYS HA 1 15 PHE QB 3.300 . 4.300 2.512 2.375 2.660 . 0 0 "[ . 1 . 2]" 1
867 1 12 LYS QB 1 12 LYS QD 2.700 . 4.700 2.088 1.970 2.152 . 0 0 "[ . 1 . 2]" 1
868 1 12 LYS QB 1 61 ALA MB 5.000 . 7.500 3.889 3.571 4.945 . 0 0 "[ . 1 . 2]" 1
869 1 12 LYS QD 1 61 ALA HA 5.000 . 6.000 5.052 4.228 5.367 . 0 0 "[ . 1 . 2]" 1
870 1 12 LYS QE 1 12 LYS QG 2.700 . 4.700 2.116 1.928 2.442 . 0 0 "[ . 1 . 2]" 1
871 1 12 LYS QG 1 16 LEU QD 5.900 . 9.300 3.716 1.805 4.438 . 0 0 "[ . 1 . 2]" 1
872 1 13 VAL HA 1 13 VAL QG 2.700 . 4.400 2.095 2.045 2.180 . 0 0 "[ . 1 . 2]" 1
873 1 13 VAL HA 1 16 LEU QB 5.000 . 6.000 2.746 2.475 3.131 . 0 0 "[ . 1 . 2]" 1
874 1 13 VAL HA 1 17 ILE MD 5.900 . 7.400 4.789 3.407 5.006 . 0 0 "[ . 1 . 2]" 1
875 1 13 VAL HA 1 26 LEU QD 5.900 . 8.300 4.595 4.203 6.079 . 0 0 "[ . 1 . 2]" 1
876 1 13 VAL HA 1 58 LEU QD 3.300 . 5.700 2.163 1.888 3.092 . 0 0 "[ . 1 . 2]" 1
877 1 13 VAL HB 1 58 LEU QD 3.300 . 5.700 3.538 3.406 3.791 . 0 0 "[ . 1 . 2]" 1
878 1 13 VAL QG 1 14 ASP HA 3.300 . 5.700 3.556 3.427 3.626 . 0 0 "[ . 1 . 2]" 1
879 1 13 VAL QG 1 17 ILE HB 5.000 . 7.400 2.602 2.332 2.855 . 0 0 "[ . 1 . 2]" 1
880 1 13 VAL QG 1 17 ILE MD 2.700 . 6.600 3.513 1.855 3.702 . 0 0 "[ . 1 . 2]" 1
881 1 13 VAL QG 1 23 LYS HA 5.000 . 7.400 3.914 3.522 4.076 . 0 0 "[ . 1 . 2]" 1
882 1 13 VAL QG 1 23 LYS QE 3.300 . 6.700 3.786 3.529 4.028 . 0 0 "[ . 1 . 2]" 1
883 1 13 VAL QG 1 26 LEU QD 2.700 . 7.500 1.995 1.790 3.232 0.010 10 0 "[ . 1 . 2]" 1
884 1 13 VAL QG 1 58 LEU QD 2.700 . 7.500 1.582 1.505 1.661 0.295 8 0 "[ . 1 . 2]" 1
885 1 13 VAL QG 1 61 ALA MB 3.300 . 7.200 3.108 2.819 3.473 . 0 0 "[ . 1 . 2]" 1
886 1 13 VAL QG 1 62 ILE MD 5.900 . 9.800 4.072 3.753 4.296 . 0 0 "[ . 1 . 2]" 1
887 1 14 ASP HA 1 23 LYS QE 3.300 . 4.300 2.205 1.880 2.533 . 0 0 "[ . 1 . 2]" 1
888 1 15 PHE QB 1 16 LEU QD 5.900 . 9.300 3.552 3.350 3.832 . 0 0 "[ . 1 . 2]" 1
889 1 15 PHE QB 1 16 LEU HG 5.900 . 6.900 3.013 2.722 3.326 . 0 0 "[ . 1 . 2]" 1
890 1 16 LEU HA 1 16 LEU QD 2.700 . 4.400 2.277 1.953 2.637 . 0 0 "[ . 1 . 2]" 1
891 1 16 LEU HA 1 16 LEU HG 3.300 . 3.300 3.027 2.818 3.151 . 0 0 "[ . 1 . 2]" 1
892 1 16 LEU HA 1 17 ILE HA 5.000 . 5.000 4.425 4.414 4.439 . 0 0 "[ . 1 . 2]" 1
893 1 16 LEU QB 1 16 LEU QD 2.700 . 6.100 1.881 1.786 1.939 0.014 20 0 "[ . 1 . 2]" 1
894 1 16 LEU QB 1 54 SER HA 5.900 . 6.900 4.948 4.187 5.776 . 0 0 "[ . 1 . 2]" 1
895 1 16 LEU QB 1 55 ARG HA 5.000 . 6.000 3.792 3.371 4.079 . 0 0 "[ . 1 . 2]" 1
896 1 16 LEU QD 1 54 SER HA 5.900 . 8.300 3.812 3.302 4.394 . 0 0 "[ . 1 . 2]" 1
897 1 16 LEU QD 1 54 SER QB 5.000 . 8.400 3.938 3.201 4.553 . 0 0 "[ . 1 . 2]" 1
898 1 16 LEU QD 1 55 ARG HA 3.300 . 5.700 3.914 3.584 4.132 . 0 0 "[ . 1 . 2]" 1
899 1 16 LEU QD 1 57 PRO QB 5.000 . 8.400 2.220 1.896 3.147 . 0 0 "[ . 1 . 2]" 1
900 1 16 LEU QD 1 57 PRO QD 5.900 . 9.300 3.394 2.900 4.317 . 0 0 "[ . 1 . 2]" 1
901 1 16 LEU QD 1 57 PRO QG 5.900 . 9.300 2.131 1.864 2.819 . 0 0 "[ . 1 . 2]" 1
902 1 16 LEU QD 1 58 LEU HA 5.000 . 7.400 4.707 4.521 4.897 . 0 0 "[ . 1 . 2]" 1
903 1 16 LEU QD 1 58 LEU QD 2.700 . 7.500 2.930 2.215 3.556 . 0 0 "[ . 1 . 2]" 1
904 1 16 LEU QD 1 58 LEU HG 3.300 . 5.700 3.631 3.492 3.777 . 0 0 "[ . 1 . 2]" 1
905 1 17 ILE HA 1 17 ILE MD 3.300 . 4.800 2.059 1.941 3.803 . 0 0 "[ . 1 . 2]" 1
906 1 17 ILE HA 1 17 ILE QG 3.300 . 4.300 2.823 2.366 2.883 . 0 0 "[ . 1 . 2]" 1
907 1 17 ILE HA 1 17 ILE MG 2.700 . 4.200 2.299 2.247 2.334 . 0 0 "[ . 1 . 2]" 1
908 1 17 ILE HA 1 58 LEU QD 5.000 . 7.400 4.806 4.514 5.361 . 0 0 "[ . 1 . 2]" 1
909 1 17 ILE HB 1 17 ILE MD 3.300 . 4.800 3.179 2.302 3.234 . 0 0 "[ . 1 . 2]" 1
910 1 17 ILE HB 1 23 LYS QE 5.000 . 6.000 3.051 2.814 3.829 . 0 0 "[ . 1 . 2]" 1
911 1 17 ILE MD 1 17 ILE MG 2.700 . 5.700 2.068 2.004 2.099 . 0 0 "[ . 1 . 2]" 1
912 1 17 ILE MD 1 23 LYS HA 5.000 . 6.500 5.106 3.337 5.327 . 0 0 "[ . 1 . 2]" 1
913 1 17 ILE MD 1 49 VAL QG 3.300 . 7.200 2.973 2.487 3.262 . 0 0 "[ . 1 . 2]" 1
914 1 17 ILE MD 1 55 ARG QB 5.000 . 7.500 3.652 3.406 4.178 . 0 0 "[ . 1 . 2]" 1
915 1 17 ILE MD 1 55 ARG QD 5.000 . 7.500 3.707 2.866 4.584 . 0 0 "[ . 1 . 2]" 1
916 1 17 ILE MD 1 55 ARG QG 5.000 . 7.500 2.483 1.927 3.443 . 0 0 "[ . 1 . 2]" 1
917 1 17 ILE MD 1 58 LEU QD 2.700 . 6.600 2.464 1.644 3.053 0.156 6 0 "[ . 1 . 2]" 1
918 1 17 ILE QG 1 17 ILE MG 2.700 . 5.200 2.264 2.229 2.281 . 0 0 "[ . 1 . 2]" 1
919 1 17 ILE QG 1 58 LEU QD 3.300 . 6.700 2.290 2.004 2.816 . 0 0 "[ . 1 . 2]" 1
920 1 17 ILE MG 1 19 ASN QB 3.300 . 5.800 2.944 2.521 3.214 . 0 0 "[ . 1 . 2]" 1
921 1 17 ILE MG 1 22 GLU QB 3.300 . 5.800 1.722 1.676 1.816 0.124 8 0 "[ . 1 . 2]" 1
922 1 17 ILE MG 1 22 GLU QG 3.300 . 5.800 3.410 3.324 3.520 . 0 0 "[ . 1 . 2]" 1
923 1 17 ILE MG 1 23 LYS HA 5.000 . 6.500 3.350 2.787 3.588 . 0 0 "[ . 1 . 2]" 1
924 1 17 ILE MG 1 23 LYS QB 3.300 . 5.800 3.452 2.400 3.777 . 0 0 "[ . 1 . 2]" 1
925 1 17 ILE MG 1 23 LYS QE 3.300 . 5.800 2.483 2.039 3.158 . 0 0 "[ . 1 . 2]" 1
926 1 17 ILE MG 1 23 LYS QG 3.300 . 5.800 1.911 1.809 2.399 . 0 0 "[ . 1 . 2]" 1
927 1 17 ILE MG 1 49 VAL QG 3.300 . 7.200 3.772 3.584 3.907 . 0 0 "[ . 1 . 2]" 1
928 1 18 GLU HA 1 18 GLU QG 2.700 . 3.700 2.892 2.387 3.343 . 0 0 "[ . 1 . 2]" 1
929 1 19 ASN QB 1 22 GLU QB 5.000 . 7.000 2.820 2.479 3.046 . 0 0 "[ . 1 . 2]" 1
930 1 19 ASN QB 1 22 GLU QG 5.000 . 7.000 3.333 2.285 3.743 . 0 0 "[ . 1 . 2]" 1
931 1 20 ASP HA 1 23 LYS QB 5.000 . 6.000 2.679 2.420 2.903 . 0 0 "[ . 1 . 2]" 1
932 1 20 ASP HA 1 23 LYS QD 3.300 . 4.300 2.557 1.845 3.721 . 0 0 "[ . 1 . 2]" 1
933 1 20 ASP HA 1 23 LYS QE 3.300 . 4.300 3.670 2.351 3.923 . 0 0 "[ . 1 . 2]" 1
934 1 21 ALA HA 1 24 ASP QB 3.300 . 4.300 2.241 2.088 2.406 . 0 0 "[ . 1 . 2]" 1
935 1 21 ALA MB 1 24 ASP QB 5.000 . 7.500 3.504 3.441 3.569 . 0 0 "[ . 1 . 2]" 1
936 1 22 GLU HA 1 22 GLU QG 3.300 . 4.300 2.316 2.206 2.356 . 0 0 "[ . 1 . 2]" 1
937 1 22 GLU HA 1 25 TYR QB 3.300 . 4.300 3.011 2.886 3.142 . 0 0 "[ . 1 . 2]" 1
938 1 22 GLU HA 1 49 VAL QG 5.000 . 7.400 2.790 2.504 3.031 . 0 0 "[ . 1 . 2]" 1
939 1 22 GLU QB 1 49 VAL QG 3.300 . 6.700 2.679 2.377 2.835 . 0 0 "[ . 1 . 2]" 1
940 1 22 GLU QG 1 49 VAL QG 5.000 . 8.400 2.439 1.996 3.127 . 0 0 "[ . 1 . 2]" 1
941 1 23 LYS HA 1 23 LYS QE 5.900 . 6.900 4.527 4.074 4.733 . 0 0 "[ . 1 . 2]" 1
942 1 23 LYS HA 1 26 LEU QB 5.900 . 6.900 2.448 2.306 2.648 . 0 0 "[ . 1 . 2]" 1
943 1 23 LYS HA 1 26 LEU QD 5.000 . 7.400 2.876 2.158 4.112 . 0 0 "[ . 1 . 2]" 1
944 1 23 LYS QE 1 23 LYS QG 3.300 . 5.300 2.053 1.940 2.286 . 0 0 "[ . 1 . 2]" 1
945 1 24 ASP HA 1 27 TYR QB 5.000 . 6.000 2.890 2.626 3.157 . 0 0 "[ . 1 . 2]" 1
946 1 25 TYR HA 1 28 ASP QB 3.300 . 4.300 2.803 2.581 3.013 . 0 0 "[ . 1 . 2]" 1
947 1 25 TYR QB 1 49 VAL QG 3.300 . 6.700 2.619 2.364 3.049 . 0 0 "[ . 1 . 2]" 1
948 1 26 LEU HA 1 26 LEU QD 2.700 . 4.400 2.596 1.908 3.064 . 0 0 "[ . 1 . 2]" 1
949 1 26 LEU HA 1 29 VAL HB 5.000 . 5.000 2.873 2.647 3.106 . 0 0 "[ . 1 . 2]" 1
950 1 26 LEU HA 1 29 VAL QG 5.000 . 7.400 2.162 1.963 2.566 . 0 0 "[ . 1 . 2]" 1
951 1 26 LEU HA 1 46 LEU QD 5.000 . 7.400 3.766 3.070 4.662 . 0 0 "[ . 1 . 2]" 1
952 1 26 LEU HA 1 49 VAL QG 5.000 . 7.400 3.153 2.670 3.447 . 0 0 "[ . 1 . 2]" 1
953 1 26 LEU QB 1 49 VAL QG 5.000 . 8.400 3.361 2.856 3.717 . 0 0 "[ . 1 . 2]" 1
954 1 26 LEU QD 1 30 LEU QD 3.300 . 8.100 2.765 1.743 3.769 0.057 6 0 "[ . 1 . 2]" 1
955 1 26 LEU QD 1 46 LEU HA 5.000 . 7.400 4.154 3.228 4.905 . 0 0 "[ . 1 . 2]" 1
956 1 26 LEU QD 1 49 VAL QG 2.700 . 7.500 2.144 1.636 3.126 0.164 15 0 "[ . 1 . 2]" 1
957 1 26 LEU QD 1 50 ILE MD 5.000 . 8.900 2.872 2.317 3.301 . 0 0 "[ . 1 . 2]" 1
958 1 26 LEU QD 1 58 LEU QD 2.700 . 7.500 2.134 1.665 2.971 0.135 9 0 "[ . 1 . 2]" 1
959 1 26 LEU QD 1 62 ILE MD 3.300 . 7.200 2.747 2.070 3.247 . 0 0 "[ . 1 . 2]" 1
960 1 26 LEU QD 1 62 ILE MG 5.000 . 8.900 4.580 3.996 5.156 . 0 0 "[ . 1 . 2]" 1
961 1 27 TYR HA 2 8 LEU QD 5.000 . 7.400 4.427 3.753 5.265 . 0 0 "[ . 1 . 2]" 1
962 1 27 TYR HA 1 30 LEU QB 5.000 . 6.000 2.890 2.571 3.135 . 0 0 "[ . 1 . 2]" 1
963 1 27 TYR HA 1 30 LEU QD 3.300 . 5.700 2.593 1.936 3.353 . 0 0 "[ . 1 . 2]" 1
964 1 27 TYR HA 1 30 LEU HG 5.900 . 5.900 4.338 3.728 4.702 . 0 0 "[ . 1 . 2]" 1
965 1 28 ASP HA 1 31 ARG QB 5.000 . 6.000 2.611 2.339 2.931 . 0 0 "[ . 1 . 2]" 1
966 1 28 ASP QB 1 29 VAL QG 5.000 . 8.400 3.101 2.964 3.250 . 0 0 "[ . 1 . 2]" 1
967 1 29 VAL HA 1 29 VAL QG 2.700 . 4.400 2.107 2.042 2.163 . 0 0 "[ . 1 . 2]" 1
968 1 29 VAL HA 1 32 MET QG 5.900 . 6.900 3.368 2.438 4.318 . 0 0 "[ . 1 . 2]" 1
969 1 29 VAL HB 1 42 LEU QD 5.000 . 7.400 4.004 3.157 4.918 . 0 0 "[ . 1 . 2]" 1
970 1 29 VAL QG 1 30 LEU HA 5.000 . 7.400 3.662 3.563 3.804 . 0 0 "[ . 1 . 2]" 1
971 1 29 VAL QG 1 42 LEU HA 3.300 . 5.700 2.000 1.810 2.371 . 0 0 "[ . 1 . 2]" 1
972 1 29 VAL QG 1 42 LEU QD 2.700 . 7.500 2.175 1.627 3.046 0.173 3 0 "[ . 1 . 2]" 1
973 1 29 VAL QG 1 45 ASP HA 5.000 . 7.400 3.809 3.589 4.054 . 0 0 "[ . 1 . 2]" 1
974 1 29 VAL QG 1 45 ASP QB 3.300 . 6.700 1.744 1.635 1.902 0.165 8 0 "[ . 1 . 2]" 1
975 1 29 VAL QG 1 46 LEU QD 2.700 . 7.500 2.259 1.853 3.053 . 0 0 "[ . 1 . 2]" 1
976 1 29 VAL QG 1 46 LEU HG 5.000 . 7.400 1.979 1.808 2.732 . 0 0 "[ . 1 . 2]" 1
977 1 29 VAL QG 1 49 VAL QG 5.900 . 10.700 2.874 2.488 3.159 . 0 0 "[ . 1 . 2]" 1
978 1 30 LEU HA 2 4 LEU QD 5.000 . 7.400 3.376 2.533 4.602 . 0 0 "[ . 1 . 2]" 1
979 1 30 LEU HA 2 8 LEU QD 5.000 . 7.400 3.659 3.453 3.941 . 0 0 "[ . 1 . 2]" 1
980 1 30 LEU HA 1 30 LEU QD 2.700 . 4.400 2.409 2.005 2.655 . 0 0 "[ . 1 . 2]" 1
981 1 30 LEU HA 1 33 TYR QB 5.000 . 6.000 2.826 2.614 3.066 . 0 0 "[ . 1 . 2]" 1
982 1 30 LEU HA 1 42 LEU QD 3.300 . 5.700 3.533 2.736 4.205 . 0 0 "[ . 1 . 2]" 1
983 1 30 LEU QB 2 4 LEU QD 5.000 . 8.400 3.391 2.273 4.610 . 0 0 "[ . 1 . 2]" 1
984 1 30 LEU QD 2 4 LEU QD 2.700 . 7.500 2.410 1.681 3.589 0.119 20 0 "[ . 1 . 2]" 1
985 1 30 LEU QD 2 7 VAL QG 5.000 . 9.800 2.631 2.191 3.155 . 0 0 "[ . 1 . 2]" 1
986 1 30 LEU QD 2 8 LEU QD 2.700 . 7.500 2.023 1.713 2.955 0.087 8 0 "[ . 1 . 2]" 1
987 1 30 LEU QD 1 42 LEU QD 3.300 . 8.100 3.528 2.610 4.036 . 0 0 "[ . 1 . 2]" 1
988 1 30 LEU QD 1 62 ILE MD 2.700 . 6.600 1.738 1.630 1.979 0.170 18 0 "[ . 1 . 2]" 1
989 1 30 LEU QD 1 62 ILE MG 5.900 . 9.800 3.837 3.438 4.196 . 0 0 "[ . 1 . 2]" 1
990 1 31 ARG HA 2 8 LEU QD 3.300 . 5.700 3.074 2.617 3.615 . 0 0 "[ . 1 . 2]" 1
991 1 31 ARG QB 1 31 ARG QD 3.300 . 5.300 2.122 1.928 2.378 . 0 0 "[ . 1 . 2]" 1
992 1 32 MET HA 1 32 MET ME 3.300 . 4.800 3.110 1.908 4.045 . 0 0 "[ . 1 . 2]" 1
993 1 32 MET HA 1 32 MET QG 2.700 . 3.700 2.476 2.063 2.794 . 0 0 "[ . 1 . 2]" 1
994 1 32 MET HA 1 35 GLN QB 3.300 . 4.300 2.997 2.436 3.916 . 0 0 "[ . 1 . 2]" 1
995 1 32 MET HA 1 35 GLN QG 5.900 . 6.900 4.334 1.832 5.204 . 0 0 "[ . 1 . 2]" 1
996 1 32 MET HA 1 36 THR MG 3.300 . 4.800 3.193 2.175 3.892 . 0 0 "[ . 1 . 2]" 1
997 1 32 MET QB 1 32 MET ME 2.700 . 5.200 3.079 2.021 3.735 . 0 0 "[ . 1 . 2]" 1
998 1 32 MET QB 1 36 THR MG 3.300 . 5.800 3.518 2.294 4.063 . 0 0 "[ . 1 . 2]" 1
999 1 32 MET ME 1 32 MET QG 3.300 . 5.800 2.164 1.966 2.483 . 0 0 "[ . 1 . 2]" 1
1000 1 32 MET ME 1 36 THR MG 2.700 . 5.700 2.780 1.717 3.630 0.083 6 0 "[ . 1 . 2]" 1
1001 1 32 MET QG 1 36 THR MG 5.000 . 7.500 3.640 1.887 5.049 . 0 0 "[ . 1 . 2]" 1
1002 1 33 TYR HA 1 36 THR HB 5.900 . 5.900 5.333 5.016 5.532 . 0 0 "[ . 1 . 2]" 1
1003 1 33 TYR HA 1 42 LEU QB 5.900 . 6.900 4.173 3.179 5.428 . 0 0 "[ . 1 . 2]" 1
1004 1 33 TYR HA 1 42 LEU QD 5.000 . 7.400 3.103 2.223 3.777 . 0 0 "[ . 1 . 2]" 1
1005 1 33 TYR QB 1 42 LEU QD 3.300 . 6.700 2.045 1.714 2.788 0.086 3 0 "[ . 1 . 2]" 1
1006 1 34 HIS HA 2 4 LEU QD 3.300 . 5.700 3.003 2.287 4.100 . 0 0 "[ . 1 . 2]" 1
1007 1 34 HIS HA 1 37 MET ME 2.700 . 4.200 2.430 1.842 3.332 . 0 0 "[ . 1 . 2]" 1
1008 1 34 HIS QB 2 4 LEU QD 5.000 . 8.400 2.535 1.942 3.604 . 0 0 "[ . 1 . 2]" 1
1009 1 34 HIS QB 2 8 LEU QD 5.000 . 8.400 2.659 2.491 2.922 . 0 0 "[ . 1 . 2]" 1
1010 1 35 GLN HA 1 35 GLN QG 3.300 . 4.300 2.461 2.014 3.337 . 0 0 "[ . 1 . 2]" 1
1011 1 35 GLN QB 1 36 THR HA 5.900 . 6.900 4.054 3.755 4.311 . 0 0 "[ . 1 . 2]" 1
1012 1 35 GLN QB 1 36 THR HB 5.900 . 6.900 5.186 4.912 5.806 . 0 0 "[ . 1 . 2]" 1
1013 1 35 GLN QB 1 36 THR MG 3.300 . 5.800 3.037 2.575 3.697 . 0 0 "[ . 1 . 2]" 1
1014 1 35 GLN QG 1 36 THR MG 3.300 . 5.800 3.370 1.863 4.122 . 0 0 "[ . 1 . 2]" 1
1015 1 36 THR HA 1 36 THR HB 2.700 . 2.700 2.501 2.339 2.713 0.013 2 0 "[ . 1 . 2]" 1
1016 1 36 THR HA 1 36 THR MG 2.700 . 4.200 2.359 2.136 2.582 . 0 0 "[ . 1 . 2]" 1
1017 1 36 THR HB 1 38 ASP QB 5.000 . 6.000 2.802 2.434 3.206 . 0 0 "[ . 1 . 2]" 1
1018 1 36 THR MG 1 38 ASP QB 3.300 . 5.800 3.854 3.495 4.097 . 0 0 "[ . 1 . 2]" 1
1019 1 37 MET HA 1 37 MET ME 5.000 . 6.500 2.914 2.024 4.181 . 0 0 "[ . 1 . 2]" 1
1020 1 37 MET HA 1 37 MET QG 3.300 . 4.300 2.512 2.185 2.700 . 0 0 "[ . 1 . 2]" 1
1021 1 37 MET ME 2 4 LEU QD 5.000 . 8.900 3.373 2.079 5.132 . 0 0 "[ . 1 . 2]" 1
1022 1 37 MET ME 1 67 PRO QD 5.000 . 7.500 4.940 4.318 5.442 . 0 0 "[ . 1 . 2]" 1
1023 1 38 ASP HA 1 39 VAL QG 5.900 . 8.300 3.473 3.394 3.605 . 0 0 "[ . 1 . 2]" 1
1024 1 38 ASP HA 1 41 VAL QG 5.000 . 7.400 4.275 4.028 4.565 . 0 0 "[ . 1 . 2]" 1
1025 1 38 ASP QB 1 41 VAL HB 5.000 . 6.000 2.874 2.146 3.497 . 0 0 "[ . 1 . 2]" 1
1026 1 38 ASP QB 1 41 VAL QG 3.300 . 6.700 1.917 1.749 2.083 0.051 12 0 "[ . 1 . 2]" 1
1027 1 39 VAL HA 1 39 VAL QG 2.700 . 4.400 2.106 2.041 2.154 . 0 0 "[ . 1 . 2]" 1
1028 1 39 VAL HA 1 42 LEU QB 3.300 . 4.300 2.960 2.251 3.714 . 0 0 "[ . 1 . 2]" 1
1029 1 39 VAL HA 1 42 LEU QD 3.300 . 5.700 2.283 1.829 3.657 . 0 0 "[ . 1 . 2]" 1
1030 1 39 VAL HA 1 42 LEU HG 5.900 . 5.900 3.563 2.496 4.900 . 0 0 "[ . 1 . 2]" 1
1031 1 39 VAL HA 1 43 VAL QG 5.900 . 8.300 3.790 3.466 3.969 . 0 0 "[ . 1 . 2]" 1
1032 1 39 VAL QG 1 40 ALA HA 3.300 . 5.700 3.826 3.700 4.062 . 0 0 "[ . 1 . 2]" 1
1033 1 39 VAL QG 1 40 ALA MB 3.300 . 7.200 4.213 4.098 4.356 . 0 0 "[ . 1 . 2]" 1
1034 1 39 VAL QG 1 42 LEU QD 2.700 . 7.500 2.494 1.848 3.878 . 0 0 "[ . 1 . 2]" 1
1035 1 39 VAL QG 1 43 VAL QG 3.300 . 8.100 2.235 1.987 2.456 . 0 0 "[ . 1 . 2]" 1
1036 1 39 VAL QG 1 66 ILE MD 3.300 . 7.200 3.377 2.859 4.034 . 0 0 "[ . 1 . 2]" 1
1037 1 39 VAL QG 1 66 ILE QG 5.000 . 8.400 2.636 2.172 3.288 . 0 0 "[ . 1 . 2]" 1
1038 1 39 VAL QG 1 66 ILE MG 3.300 . 7.200 2.977 2.510 3.470 . 0 0 "[ . 1 . 2]" 1
1039 1 39 VAL QG 1 70 HIS HA 5.000 . 7.400 3.098 2.602 3.619 . 0 0 "[ . 1 . 2]" 1
1040 1 39 VAL QG 1 70 HIS QB 3.300 . 6.700 2.181 1.831 2.616 . 0 0 "[ . 1 . 2]" 1
1041 1 39 VAL QG 1 73 GLU QB 2.700 . 6.100 3.147 2.628 3.721 . 0 0 "[ . 1 . 2]" 1
1042 1 39 VAL QG 1 73 GLU QG 3.300 . 6.700 3.859 3.114 4.412 . 0 0 "[ . 1 . 2]" 1
1043 1 39 VAL QG 1 74 TYR HA 3.300 . 5.700 2.789 1.913 3.492 . 0 0 "[ . 1 . 2]" 1
1044 1 39 VAL QG 1 74 TYR QB 3.300 . 6.700 2.598 1.841 3.290 . 0 0 "[ . 1 . 2]" 1
1045 1 40 ALA HA 1 43 VAL HB 3.300 . 3.300 2.929 2.648 3.283 . 0 0 "[ . 1 . 2]" 1
1046 1 40 ALA HA 1 43 VAL QG 5.000 . 7.400 2.809 2.467 3.241 . 0 0 "[ . 1 . 2]" 1
1047 1 40 ALA HA 1 77 LEU QD 2.700 . 5.100 2.724 1.929 3.418 . 0 0 "[ . 1 . 2]" 1
1048 1 40 ALA MB 1 41 VAL HA 5.000 . 6.500 3.827 3.747 3.896 . 0 0 "[ . 1 . 2]" 1
1049 1 40 ALA MB 1 41 VAL QG 2.700 . 6.600 3.042 2.874 3.166 . 0 0 "[ . 1 . 2]" 1
1050 1 40 ALA MB 1 77 LEU QD 2.700 . 6.600 2.971 2.301 3.800 . 0 0 "[ . 1 . 2]" 1
1051 1 41 VAL HA 1 41 VAL QG 2.700 . 4.400 2.108 2.041 2.173 . 0 0 "[ . 1 . 2]" 1
1052 1 41 VAL QG 1 42 LEU HA 5.000 . 7.400 3.639 3.473 3.755 . 0 0 "[ . 1 . 2]" 1
1053 1 42 LEU HA 1 42 LEU QD 2.700 . 4.400 2.836 1.902 3.367 . 0 0 "[ . 1 . 2]" 1
1054 1 42 LEU HA 1 45 ASP QB 5.000 . 6.000 3.106 2.882 3.561 . 0 0 "[ . 1 . 2]" 1
1055 1 42 LEU QD 1 43 VAL HA 5.900 . 8.300 3.614 2.291 5.048 . 0 0 "[ . 1 . 2]" 1
1056 1 42 LEU QD 1 46 LEU QD 2.700 . 7.500 1.802 1.660 2.194 0.140 14 0 "[ . 1 . 2]" 1
1057 1 42 LEU QD 1 46 LEU HG 3.300 . 5.700 2.585 1.911 3.367 . 0 0 "[ . 1 . 2]" 1
1058 1 42 LEU QD 1 62 ILE MD 3.300 . 7.200 3.398 2.829 4.043 . 0 0 "[ . 1 . 2]" 1
1059 1 42 LEU QD 1 62 ILE MG 2.700 . 6.600 2.969 2.656 3.534 . 0 0 "[ . 1 . 2]" 1
1060 1 42 LEU QD 1 66 ILE QG 5.900 . 9.300 3.055 2.537 3.962 . 0 0 "[ . 1 . 2]" 1
1061 1 43 VAL HA 1 43 VAL QG 2.700 . 4.400 2.132 2.073 2.162 . 0 0 "[ . 1 . 2]" 1
1062 1 43 VAL HA 1 46 LEU QB 5.000 . 6.000 2.461 2.245 2.807 . 0 0 "[ . 1 . 2]" 1
1063 1 43 VAL HA 1 46 LEU QD 3.300 . 5.700 2.593 2.177 2.887 . 0 0 "[ . 1 . 2]" 1
1064 1 43 VAL HA 1 46 LEU HG 5.900 . 5.900 4.154 3.620 5.223 . 0 0 "[ . 1 . 2]" 1
1065 1 43 VAL HA 1 77 LEU QD 5.000 . 7.400 5.144 4.807 5.355 . 0 0 "[ . 1 . 2]" 1
1066 1 43 VAL QG 1 44 GLY QA 5.900 . 9.300 3.334 3.156 3.555 . 0 0 "[ . 1 . 2]" 1
1067 1 43 VAL QG 1 47 LYS QD 3.300 . 6.700 2.610 2.058 3.884 . 0 0 "[ . 1 . 2]" 1
1068 1 43 VAL QG 1 47 LYS QE 3.300 . 6.700 3.055 2.013 3.793 . 0 0 "[ . 1 . 2]" 1
1069 1 43 VAL QG 1 47 LYS QG 5.000 . 8.400 4.081 2.737 4.871 . 0 0 "[ . 1 . 2]" 1
1070 1 43 VAL QG 1 74 TYR HA 3.300 . 5.700 3.137 2.676 3.853 . 0 0 "[ . 1 . 2]" 1
1071 1 43 VAL QG 1 77 LEU HA 5.000 . 7.400 4.155 3.399 4.893 . 0 0 "[ . 1 . 2]" 1
1072 1 43 VAL QG 1 77 LEU QB 3.300 . 6.700 2.167 1.722 2.769 0.078 2 0 "[ . 1 . 2]" 1
1073 1 43 VAL QG 1 77 LEU QD 2.700 . 7.500 2.167 1.901 2.373 . 0 0 "[ . 1 . 2]" 1
1074 1 43 VAL QG 1 78 THR HA 5.000 . 7.400 3.375 1.859 4.663 . 0 0 "[ . 1 . 2]" 1
1075 1 43 VAL QG 1 78 THR MG 2.700 . 6.600 2.943 2.209 3.872 . 0 0 "[ . 1 . 2]" 1
1076 1 44 GLY QA 1 47 LYS QB 5.900 . 7.900 3.140 2.892 3.511 . 0 0 "[ . 1 . 2]" 1
1077 1 44 GLY QA 1 47 LYS QD 5.000 . 7.000 3.715 2.583 5.185 . 0 0 "[ . 1 . 2]" 1
1078 1 45 ASP HA 1 48 LEU QD 3.300 . 5.700 2.332 1.839 3.185 . 0 0 "[ . 1 . 2]" 1
1079 1 45 ASP HA 1 48 LEU HG 5.000 . 5.000 4.078 3.136 4.883 . 0 0 "[ . 1 . 2]" 1
1080 1 46 LEU HA 1 46 LEU QD 2.700 . 4.400 2.033 1.824 2.705 . 0 0 "[ . 1 . 2]" 1
1081 1 46 LEU HA 1 49 VAL QG 3.300 . 5.700 2.142 1.990 2.450 . 0 0 "[ . 1 . 2]" 1
1082 1 46 LEU HA 1 50 ILE MD 5.900 . 7.400 2.705 2.247 2.996 . 0 0 "[ . 1 . 2]" 1
1083 1 46 LEU QB 1 50 ILE MD 5.900 . 8.400 2.007 1.913 2.194 . 0 0 "[ . 1 . 2]" 1
1084 1 46 LEU QD 1 49 VAL QG 2.700 . 7.500 2.717 2.395 3.262 . 0 0 "[ . 1 . 2]" 1
1085 1 46 LEU QD 1 50 ILE MD 3.300 . 7.200 1.774 1.657 2.073 0.143 6 0 "[ . 1 . 2]" 1
1086 1 46 LEU QD 1 62 ILE MD 2.700 . 6.600 2.525 2.259 2.855 . 0 0 "[ . 1 . 2]" 1
1087 1 46 LEU QD 1 62 ILE MG 2.700 . 6.600 2.046 1.831 2.472 . 0 0 "[ . 1 . 2]" 1
1088 1 47 LYS HA 1 47 LYS QD 3.300 . 4.300 3.313 2.281 3.876 . 0 0 "[ . 1 . 2]" 1
1089 1 47 LYS HA 1 47 LYS QE 5.900 . 6.900 4.327 2.763 4.798 . 0 0 "[ . 1 . 2]" 1
1090 1 47 LYS HA 1 47 LYS QG 2.700 . 3.700 2.118 2.004 2.641 . 0 0 "[ . 1 . 2]" 1
1091 1 47 LYS HA 1 50 ILE HB 5.000 . 5.000 2.706 2.567 2.780 . 0 0 "[ . 1 . 2]" 1
1092 1 47 LYS HA 1 50 ILE MD 5.900 . 7.400 4.145 3.893 4.373 . 0 0 "[ . 1 . 2]" 1
1093 1 47 LYS QB 1 47 LYS QD 2.700 . 4.700 2.058 1.923 2.372 . 0 0 "[ . 1 . 2]" 1
1094 1 47 LYS QB 1 47 LYS QE 3.300 . 5.300 3.094 1.961 3.648 . 0 0 "[ . 1 . 2]" 1
1095 1 48 LEU HA 1 48 LEU QD 2.700 . 4.400 2.396 1.957 2.965 . 0 0 "[ . 1 . 2]" 1
1096 1 48 LEU HA 1 48 LEU HG 3.300 . 3.300 2.529 2.173 2.957 . 0 0 "[ . 1 . 2]" 1
1097 1 48 LEU QB 1 48 LEU QD 2.700 . 6.100 1.862 1.759 1.946 0.041 2 0 "[ . 1 . 2]" 1
1098 1 49 VAL HA 1 49 VAL HB 2.700 . 2.700 2.463 2.446 2.476 . 0 0 "[ . 1 . 2]" 1
1099 1 49 VAL HA 1 49 VAL QG 2.700 . 4.400 2.197 2.175 2.234 . 0 0 "[ . 1 . 2]" 1
1100 1 49 VAL QG 1 50 ILE HA 5.000 . 7.400 3.642 3.493 3.719 . 0 0 "[ . 1 . 2]" 1
1101 1 49 VAL QG 1 50 ILE MD 5.000 . 8.900 2.611 2.095 2.742 . 0 0 "[ . 1 . 2]" 1
1102 1 49 VAL QG 1 50 ILE QG 3.300 . 6.700 1.933 1.887 2.075 . 0 0 "[ . 1 . 2]" 1
1103 1 50 ILE HA 1 50 ILE MG 2.700 . 4.200 2.334 2.291 2.377 . 0 0 "[ . 1 . 2]" 1
1104 1 50 ILE HA 1 55 ARG QB 5.000 . 6.000 1.759 1.672 1.794 0.128 8 0 "[ . 1 . 2]" 1
1105 1 50 ILE HA 1 55 ARG QD 5.000 . 6.000 3.152 2.892 3.513 . 0 0 "[ . 1 . 2]" 1
1106 1 50 ILE MD 1 50 ILE MG 2.700 . 5.700 2.132 1.943 2.578 . 0 0 "[ . 1 . 2]" 1
1107 1 50 ILE MD 1 58 LEU QB 5.000 . 7.500 1.928 1.745 2.129 0.055 10 0 "[ . 1 . 2]" 1
1108 1 50 ILE MD 1 58 LEU QD 3.300 . 7.200 2.783 2.451 3.046 . 0 0 "[ . 1 . 2]" 1
1109 1 50 ILE MD 1 59 PHE HA 5.900 . 7.400 2.598 2.331 3.250 . 0 0 "[ . 1 . 2]" 1
1110 1 50 ILE MD 1 62 ILE MD 3.300 . 6.300 3.965 3.805 4.172 . 0 0 "[ . 1 . 2]" 1
1111 1 50 ILE MG 1 55 ARG HA 5.900 . 7.400 4.070 3.936 4.258 . 0 0 "[ . 1 . 2]" 1
1112 1 50 ILE MG 1 55 ARG QB 5.000 . 7.500 2.882 2.715 3.109 . 0 0 "[ . 1 . 2]" 1
1113 1 50 ILE MG 1 55 ARG QD 5.000 . 7.500 4.601 4.444 4.786 . 0 0 "[ . 1 . 2]" 1
1114 1 50 ILE MG 1 55 ARG QG 5.900 . 8.400 4.658 4.402 4.892 . 0 0 "[ . 1 . 2]" 1
1115 1 50 ILE MG 1 56 LEU HA 2.700 . 4.200 1.808 1.774 1.855 0.026 3 0 "[ . 1 . 2]" 1
1116 1 50 ILE MG 1 56 LEU QB 5.900 . 8.400 3.627 3.575 3.702 . 0 0 "[ . 1 . 2]" 1
1117 1 50 ILE MG 1 56 LEU QD 2.700 . 6.600 2.361 2.244 2.494 . 0 0 "[ . 1 . 2]" 1
1118 1 50 ILE MG 1 58 LEU QB 5.000 . 7.500 2.564 2.093 2.812 . 0 0 "[ . 1 . 2]" 1
1119 1 50 ILE MG 1 58 LEU QD 3.300 . 7.200 3.290 2.930 3.580 . 0 0 "[ . 1 . 2]" 1
1120 1 50 ILE MG 1 59 PHE HA 5.900 . 7.400 3.490 3.155 3.937 . 0 0 "[ . 1 . 2]" 1
1121 1 52 GLU HA 1 52 GLU QG 3.300 . 4.300 3.022 2.665 3.325 . 0 0 "[ . 1 . 2]" 1
1122 1 52 GLU HA 1 53 PRO QD 2.700 . 3.700 2.034 1.989 2.132 . 0 0 "[ . 1 . 2]" 1
1123 1 52 GLU HA 1 53 PRO QG 5.000 . 6.000 3.934 3.896 4.018 . 0 0 "[ . 1 . 2]" 1
1124 1 52 GLU QB 1 53 PRO QD 3.300 . 5.300 2.274 2.004 2.457 . 0 0 "[ . 1 . 2]" 1
1125 1 52 GLU QG 1 53 PRO QD 5.000 . 7.000 4.017 3.835 4.143 . 0 0 "[ . 1 . 2]" 1
1126 1 52 GLU QG 1 55 ARG QD 5.000 . 7.000 1.944 1.724 2.590 0.076 16 0 "[ . 1 . 2]" 1
1127 1 52 GLU QG 1 55 ARG QG 5.000 . 7.000 3.192 1.899 3.909 . 0 0 "[ . 1 . 2]" 1
1128 1 53 PRO HA 1 53 PRO QG 3.300 . 4.300 3.166 2.848 3.482 . 0 0 "[ . 1 . 2]" 1
1129 1 53 PRO HA 1 56 LEU QB 5.900 . 6.900 2.641 2.483 2.803 . 0 0 "[ . 1 . 2]" 1
1130 1 53 PRO HA 1 56 LEU QD 2.700 . 5.100 2.015 1.922 2.165 . 0 0 "[ . 1 . 2]" 1
1131 1 53 PRO HA 1 56 LEU HG 3.300 . 3.300 2.263 2.004 2.550 . 0 0 "[ . 1 . 2]" 1
1132 1 53 PRO QB 1 56 LEU QD 3.300 . 6.700 3.103 2.921 3.287 . 0 0 "[ . 1 . 2]" 1
1133 1 53 PRO QD 1 56 LEU QD 5.900 . 9.300 3.640 3.381 3.809 . 0 0 "[ . 1 . 2]" 1
1134 1 54 SER HA 1 57 PRO QG 5.900 . 6.900 3.653 3.563 3.765 . 0 0 "[ . 1 . 2]" 1
1135 1 55 ARG HA 1 58 LEU QD 5.900 . 8.300 2.675 2.331 3.042 . 0 0 "[ . 1 . 2]" 1
1136 1 55 ARG QG 1 58 LEU QD 5.900 . 9.300 3.107 2.676 3.597 . 0 0 "[ . 1 . 2]" 1
1137 1 56 LEU HA 1 56 LEU QD 2.700 . 4.400 1.974 1.916 2.022 . 0 0 "[ . 1 . 2]" 1
1138 1 56 LEU QB 1 56 LEU QD 2.700 . 6.100 1.936 1.918 1.947 . 0 0 "[ . 1 . 2]" 1
1139 1 56 LEU QB 1 57 PRO QD 5.000 . 7.000 1.982 1.913 2.139 . 0 0 "[ . 1 . 2]" 1
1140 1 58 LEU HA 1 58 LEU QD 2.700 . 4.400 2.292 1.975 2.631 . 0 0 "[ . 1 . 2]" 1
1141 1 58 LEU HA 1 61 ALA MB 5.000 . 6.500 2.106 1.944 2.331 . 0 0 "[ . 1 . 2]" 1
1142 1 58 LEU HA 1 62 ILE MD 5.000 . 6.500 5.188 4.895 5.278 . 0 0 "[ . 1 . 2]" 1
1143 1 58 LEU HA 1 62 ILE MG 5.000 . 6.500 5.350 5.312 5.376 . 0 0 "[ . 1 . 2]" 1
1144 1 58 LEU QB 1 58 LEU QD 2.700 . 6.100 1.903 1.839 1.948 . 0 0 "[ . 1 . 2]" 1
1145 1 58 LEU QB 1 62 ILE MD 5.000 . 7.500 4.125 3.881 4.271 . 0 0 "[ . 1 . 2]" 1
1146 1 58 LEU QD 1 61 ALA MB 5.000 . 8.900 3.296 2.982 3.592 . 0 0 "[ . 1 . 2]" 1
1147 1 58 LEU QD 1 62 ILE MG 5.000 . 8.900 5.334 4.913 5.467 . 0 0 "[ . 1 . 2]" 1
1148 1 59 PHE HA 1 62 ILE HB 5.000 . 5.000 4.240 4.028 4.398 . 0 0 "[ . 1 . 2]" 1
1149 1 59 PHE HA 1 62 ILE MD 5.000 . 6.500 5.109 4.886 5.310 . 0 0 "[ . 1 . 2]" 1
1150 1 59 PHE HA 1 62 ILE MG 5.000 . 6.500 3.216 2.869 3.416 . 0 0 "[ . 1 . 2]" 1
1151 1 60 ASP HA 1 63 ARG QB 5.900 . 6.900 2.433 2.201 2.684 . 0 0 "[ . 1 . 2]" 1
1152 1 61 ALA HA 1 64 PRO QG 5.000 . 6.000 3.350 3.071 3.587 . 0 0 "[ . 1 . 2]" 1
1153 1 62 ILE HA 1 62 ILE MD 2.700 . 4.200 3.413 2.926 3.581 . 0 0 "[ . 1 . 2]" 1
1154 1 62 ILE HA 1 62 ILE QG 3.300 . 4.300 2.005 1.966 2.080 . 0 0 "[ . 1 . 2]" 1
1155 1 62 ILE HA 1 62 ILE MG 3.300 . 4.800 3.124 3.097 3.151 . 0 0 "[ . 1 . 2]" 1
1156 1 62 ILE HA 1 65 LEU QD 3.300 . 5.700 2.111 1.873 2.427 . 0 0 "[ . 1 . 2]" 1
1157 1 62 ILE HA 1 65 LEU HG 5.000 . 5.000 2.619 2.287 2.878 . 0 0 "[ . 1 . 2]" 1
1158 1 62 ILE HB 1 62 ILE MD 3.300 . 4.800 2.082 1.982 2.166 . 0 0 "[ . 1 . 2]" 1
1159 1 62 ILE MD 1 62 ILE MG 2.700 . 5.700 2.535 2.340 2.979 . 0 0 "[ . 1 . 2]" 1
1160 1 62 ILE MG 1 63 ARG HA 5.900 . 7.400 2.819 2.797 2.855 . 0 0 "[ . 1 . 2]" 1
1161 1 62 ILE MG 1 65 LEU QB 5.000 . 7.500 3.896 3.666 4.104 . 0 0 "[ . 1 . 2]" 1
1162 1 62 ILE MG 1 66 ILE MD 2.700 . 5.700 2.249 1.992 2.433 . 0 0 "[ . 1 . 2]" 1
1163 1 62 ILE MG 1 66 ILE QG 3.300 . 5.800 4.073 3.471 4.236 . 0 0 "[ . 1 . 2]" 1
1164 1 62 ILE MG 1 66 ILE MG 5.000 . 8.000 5.127 4.897 5.403 . 0 0 "[ . 1 . 2]" 1
1165 1 63 ARG HA 1 66 ILE HB 5.000 . 5.000 2.917 2.632 3.205 . 0 0 "[ . 1 . 2]" 1
1166 1 63 ARG HA 1 66 ILE MD 5.000 . 6.500 2.262 1.813 2.641 . 0 0 "[ . 1 . 2]" 1
1167 1 63 ARG HA 1 66 ILE QG 5.000 . 6.000 4.091 3.715 4.354 . 0 0 "[ . 1 . 2]" 1
1168 1 63 ARG QB 1 64 PRO QD 5.000 . 7.000 1.834 1.721 1.915 0.079 6 0 "[ . 1 . 2]" 1
1169 1 64 PRO HA 1 64 PRO QG 3.300 . 4.300 3.022 2.845 3.469 . 0 0 "[ . 1 . 2]" 1
1170 1 65 LEU HA 2 3 LEU QB 5.000 . 6.000 2.108 1.938 2.735 . 0 0 "[ . 1 . 2]" 1
1171 1 65 LEU HA 2 3 LEU QD 5.000 . 7.400 2.218 1.963 2.702 . 0 0 "[ . 1 . 2]" 1
1172 1 65 LEU HA 1 65 LEU QD 2.700 . 4.400 2.138 1.994 2.368 . 0 0 "[ . 1 . 2]" 1
1173 1 65 LEU QD 2 3 LEU QB 5.000 . 8.400 1.837 1.697 2.064 0.103 15 0 "[ . 1 . 2]" 1
1174 1 65 LEU QD 2 3 LEU QD 3.300 . 8.100 2.357 1.813 2.829 . 0 0 "[ . 1 . 2]" 1
1175 1 65 LEU QD 2 3 LEU HG 5.000 . 7.400 4.073 3.844 4.443 . 0 0 "[ . 1 . 2]" 1
1176 1 65 LEU QD 2 4 LEU HA 5.000 . 7.400 2.004 1.841 2.461 . 0 0 "[ . 1 . 2]" 1
1177 1 65 LEU QD 2 4 LEU QD 2.700 . 7.500 2.670 1.763 3.628 0.037 18 0 "[ . 1 . 2]" 1
1178 1 65 LEU QD 2 7 VAL HB 5.900 . 8.300 2.943 2.698 3.286 . 0 0 "[ . 1 . 2]" 1
1179 1 65 LEU QD 2 7 VAL QG 2.700 . 7.500 1.659 1.552 1.755 0.248 4 0 "[ . 1 . 2]" 1
1180 1 66 ILE HA 1 66 ILE MD 3.300 . 4.800 3.132 2.627 3.588 . 0 0 "[ . 1 . 2]" 1
1181 1 66 ILE HA 1 66 ILE MG 3.300 . 4.800 2.677 2.582 2.732 . 0 0 "[ . 1 . 2]" 1
1182 1 66 ILE HA 1 67 PRO QD 3.300 . 4.300 1.938 1.911 2.020 . 0 0 "[ . 1 . 2]" 1
1183 1 66 ILE HB 1 66 ILE MD 3.300 . 4.800 2.181 2.084 2.264 . 0 0 "[ . 1 . 2]" 1
1184 1 66 ILE MD 2 4 LEU QD 5.900 . 9.800 3.599 3.054 4.453 . 0 0 "[ . 1 . 2]" 1
1185 1 66 ILE MD 1 66 ILE MG 2.700 . 5.700 3.033 2.707 3.222 . 0 0 "[ . 1 . 2]" 1
1186 1 66 ILE MD 1 67 PRO QD 5.000 . 7.500 4.197 3.800 4.623 . 0 0 "[ . 1 . 2]" 1
1187 1 66 ILE MD 1 71 GLN HA 5.000 . 6.500 4.674 4.036 5.164 . 0 0 "[ . 1 . 2]" 1
1188 1 66 ILE QG 2 4 LEU QD 3.300 . 6.700 3.812 3.339 4.218 . 0 0 "[ . 1 . 2]" 1
1189 1 66 ILE QG 1 71 GLN HA 5.900 . 6.900 4.242 4.024 4.497 . 0 0 "[ . 1 . 2]" 1
1190 1 66 ILE QG 1 71 GLN QG 5.900 . 7.900 4.511 4.269 6.195 . 0 0 "[ . 1 . 2]" 1
1191 1 66 ILE QG 1 74 TYR QB 5.900 . 7.900 3.310 2.942 3.851 . 0 0 "[ . 1 . 2]" 1
1192 1 66 ILE MG 1 67 PRO QD 3.300 . 5.800 2.213 1.928 2.462 . 0 0 "[ . 1 . 2]" 1
1193 1 66 ILE MG 1 70 HIS HA 5.900 . 7.400 3.643 3.575 3.718 . 0 0 "[ . 1 . 2]" 1
1194 1 66 ILE MG 1 70 HIS QB 3.300 . 5.800 1.771 1.680 1.806 0.120 16 0 "[ . 1 . 2]" 1
1195 1 66 ILE MG 1 71 GLN HA 3.300 . 4.800 1.944 1.826 2.036 . 0 0 "[ . 1 . 2]" 1
1196 1 66 ILE MG 1 71 GLN QB 5.900 . 8.400 2.831 1.917 3.029 . 0 0 "[ . 1 . 2]" 1
1197 1 66 ILE MG 1 71 GLN QG 5.900 . 8.400 2.018 1.878 3.571 . 0 0 "[ . 1 . 2]" 1
1198 1 66 ILE MG 1 74 TYR QB 5.000 . 7.500 2.490 2.134 2.888 . 0 0 "[ . 1 . 2]" 1
1199 1 67 PRO HA 1 67 PRO QG 3.300 . 4.300 2.996 2.850 3.502 . 0 0 "[ . 1 . 2]" 1
1200 1 67 PRO HA 1 68 LEU QD 5.900 . 8.300 4.649 3.827 5.390 . 0 0 "[ . 1 . 2]" 1
1201 1 68 LEU HA 1 68 LEU QD 2.700 . 4.400 2.442 1.955 3.061 . 0 0 "[ . 1 . 2]" 1
1202 1 68 LEU HA 1 68 LEU HG 3.300 . 3.300 2.550 2.279 2.998 . 0 0 "[ . 1 . 2]" 1
1203 1 68 LEU HA 1 71 GLN QB 5.000 . 6.000 2.274 2.055 3.037 . 0 0 "[ . 1 . 2]" 1
1204 1 68 LEU HA 1 71 GLN QG 5.000 . 6.000 3.471 2.004 3.958 . 0 0 "[ . 1 . 2]" 1
1205 1 68 LEU QB 1 68 LEU QD 2.700 . 6.100 1.862 1.776 1.962 0.024 18 0 "[ . 1 . 2]" 1
1206 1 68 LEU QB 1 69 LYS HA 5.000 . 6.000 3.820 3.684 4.141 . 0 0 "[ . 1 . 2]" 1
1207 1 69 LYS HA 1 69 LYS QE 5.900 . 6.900 4.623 3.669 5.449 . 0 0 "[ . 1 . 2]" 1
1208 1 69 LYS QB 1 69 LYS QD 3.300 . 5.300 2.076 1.956 2.226 . 0 0 "[ . 1 . 2]" 1
1209 1 70 HIS HA 1 73 GLU QB 5.000 . 6.000 2.594 2.416 2.871 . 0 0 "[ . 1 . 2]" 1
1210 1 71 GLN HA 1 71 GLN QG 3.300 . 4.300 2.259 2.030 3.401 . 0 0 "[ . 1 . 2]" 1
1211 1 71 GLN HA 1 74 TYR QB 3.300 . 4.300 2.442 2.247 2.647 . 0 0 "[ . 1 . 2]" 1
1212 1 72 VAL HA 1 72 VAL QG 2.700 . 4.400 2.156 2.042 2.357 . 0 0 "[ . 1 . 2]" 1
1213 1 72 VAL HA 1 75 ASP QB 3.300 . 4.300 2.951 2.502 3.420 . 0 0 "[ . 1 . 2]" 1
1214 1 72 VAL QG 1 73 GLU HA 3.300 . 5.700 3.516 3.035 3.704 . 0 0 "[ . 1 . 2]" 1
1215 1 72 VAL QG 1 73 GLU QG 5.000 . 8.400 4.678 3.532 5.295 . 0 0 "[ . 1 . 2]" 1
1216 1 72 VAL QG 1 75 ASP QB 5.900 . 9.300 3.662 3.320 3.926 . 0 0 "[ . 1 . 2]" 1
1217 1 72 VAL QG 1 76 GLN QB 5.900 . 9.300 4.124 3.674 4.549 . 0 0 "[ . 1 . 2]" 1
1218 1 72 VAL QG 1 76 GLN QG 3.300 . 6.700 2.963 2.665 3.429 . 0 0 "[ . 1 . 2]" 1
1219 1 73 GLU HA 1 73 GLU QG 3.300 . 4.300 2.344 2.085 2.665 . 0 0 "[ . 1 . 2]" 1
1220 1 73 GLU HA 1 76 GLN QB 3.300 . 4.300 2.614 2.156 3.118 . 0 0 "[ . 1 . 2]" 1
1221 1 73 GLU HA 1 76 GLN QG 5.000 . 6.000 3.461 2.362 4.404 . 0 0 "[ . 1 . 2]" 1
1222 1 73 GLU HA 1 77 LEU QD 3.300 . 5.700 3.969 3.687 4.208 . 0 0 "[ . 1 . 2]" 1
1223 1 73 GLU HA 1 77 LEU HG 5.900 . 5.900 4.160 3.903 4.440 . 0 0 "[ . 1 . 2]" 1
1224 1 73 GLU QG 1 77 LEU QD 2.700 . 6.100 2.477 1.827 3.830 . 0 0 "[ . 1 . 2]" 1
1225 1 74 TYR HA 1 77 LEU QD 5.000 . 7.400 2.417 1.923 3.250 . 0 0 "[ . 1 . 2]" 1
1226 1 74 TYR HA 1 78 THR MG 5.000 . 6.500 3.753 3.281 4.081 . 0 0 "[ . 1 . 2]" 1
1227 1 75 ASP HA 1 78 THR MG 5.900 . 7.400 2.288 1.820 3.465 . 0 0 "[ . 1 . 2]" 1
1228 1 76 GLN HA 1 76 GLN QG 3.300 . 4.300 2.369 2.020 2.811 . 0 0 "[ . 1 . 2]" 1
1229 1 76 GLN QB 1 77 LEU QD 5.000 . 8.400 3.690 3.118 4.048 . 0 0 "[ . 1 . 2]" 1
1230 1 76 GLN QG 1 77 LEU QD 5.900 . 9.300 5.155 4.695 5.613 . 0 0 "[ . 1 . 2]" 1
1231 1 77 LEU HA 1 77 LEU QD 2.700 . 4.400 2.308 1.991 2.603 . 0 0 "[ . 1 . 2]" 1
1232 1 77 LEU HA 1 77 LEU HG 3.300 . 3.300 2.821 2.706 3.096 . 0 0 "[ . 1 . 2]" 1
1233 1 77 LEU QB 1 77 LEU QD 2.700 . 6.100 1.853 1.786 1.923 0.014 19 0 "[ . 1 . 2]" 1
1234 1 77 LEU QB 1 78 THR MG 5.900 . 8.400 3.262 2.670 4.075 . 0 0 "[ . 1 . 2]" 1
1235 1 78 THR HA 1 78 THR MG 3.300 . 4.800 2.622 2.107 3.211 . 0 0 "[ . 1 . 2]" 1
1236 1 78 THR HA 1 79 PRO QD 3.300 . 4.300 2.612 1.907 3.538 . 0 0 "[ . 1 . 2]" 1
1237 1 78 THR HB 1 79 PRO QD 3.300 . 4.300 3.215 1.937 3.888 . 0 0 "[ . 1 . 2]" 1
1238 1 78 THR HB 1 79 PRO QG 5.900 . 6.900 4.953 3.529 5.788 . 0 0 "[ . 1 . 2]" 1
1239 1 78 THR MG 1 79 PRO QD 5.000 . 7.500 3.476 2.373 4.205 . 0 0 "[ . 1 . 2]" 1
1240 2 3 LEU HA 2 3 LEU QD 3.300 . 5.000 2.333 1.920 3.117 . 0 0 "[ . 1 . 2]" 1
1241 2 3 LEU HA 2 6 GLU QB 3.300 . 4.300 2.485 2.163 3.026 . 0 0 "[ . 1 . 2]" 1
1242 2 3 LEU HA 2 6 GLU QG 5.000 . 6.000 3.853 2.121 4.646 . 0 0 "[ . 1 . 2]" 1
1243 2 3 LEU QB 2 3 LEU QD 2.700 . 6.100 1.865 1.765 1.938 0.035 13 0 "[ . 1 . 2]" 1
1244 2 4 LEU HA 2 4 LEU QD 2.700 . 4.400 2.695 1.850 3.437 . 0 0 "[ . 1 . 2]" 1
1245 2 4 LEU HA 2 7 VAL HB 5.000 . 5.000 3.394 3.100 3.852 . 0 0 "[ . 1 . 2]" 1
1246 2 4 LEU QB 2 4 LEU QD 2.700 . 6.100 1.844 1.711 2.061 0.089 8 0 "[ . 1 . 2]" 1
1247 2 4 LEU QD 2 8 LEU QD 5.900 . 10.700 2.524 1.737 3.200 0.063 10 0 "[ . 1 . 2]" 1
1248 2 4 LEU HG 2 8 LEU QD 5.000 . 7.400 3.040 2.009 4.438 . 0 0 "[ . 1 . 2]" 1
1249 2 5 LYS HA 2 5 LYS QG 3.300 . 4.300 2.471 2.125 3.402 . 0 0 "[ . 1 . 2]" 1
1250 2 5 LYS HA 2 8 LEU QD 5.000 . 7.400 2.234 1.843 2.746 . 0 0 "[ . 1 . 2]" 1
1251 2 6 GLU HA 2 6 GLU QG 2.700 . 3.700 2.261 2.041 2.820 . 0 0 "[ . 1 . 2]" 1
1252 2 7 VAL HA 2 7 VAL QG 2.700 . 4.400 2.128 2.064 2.173 . 0 0 "[ . 1 . 2]" 1
1253 2 7 VAL HA 2 10 ASP QB 5.000 . 6.000 2.328 2.023 2.668 . 0 0 "[ . 1 . 2]" 1
1254 2 8 LEU HA 2 8 LEU QD 2.700 . 4.400 2.551 2.224 3.420 . 0 0 "[ . 1 . 2]" 1
1255 2 8 LEU HA 2 11 TYR QB 5.000 . 6.000 3.274 2.610 5.010 . 0 0 "[ . 1 . 2]" 1
1256 2 9 GLU HA 2 12 LEU QB 5.000 . 6.000 2.466 1.970 3.971 . 0 0 "[ . 1 . 2]" 1
1257 2 9 GLU HA 2 12 LEU QD 3.300 . 5.700 2.508 1.914 3.210 . 0 0 "[ . 1 . 2]" 1
1258 2 10 ASP HA 2 13 ARG QB 3.300 . 4.300 3.272 2.863 3.898 . 0 0 "[ . 1 . 2]" 1
1259 2 10 ASP HA 2 13 ARG QG 5.000 . 6.000 3.874 1.956 4.895 . 0 0 "[ . 1 . 2]" 1
1260 2 11 TYR HA 2 14 LEU QB 5.900 . 6.900 2.178 1.983 2.521 . 0 0 "[ . 1 . 2]" 1
1261 2 11 TYR HA 2 14 LEU QD 5.000 . 7.400 2.907 2.575 3.446 . 0 0 "[ . 1 . 2]" 1
1262 2 12 LEU HA 2 12 LEU QD 2.700 . 4.400 2.248 1.949 3.382 . 0 0 "[ . 1 . 2]" 1
1263 2 12 LEU HA 2 15 LYS QG 5.000 . 6.000 2.954 2.115 4.117 . 0 0 "[ . 1 . 2]" 1
1264 2 12 LEU QB 2 12 LEU QD 2.700 . 6.100 1.889 1.818 1.942 . 0 0 "[ . 1 . 2]" 1
1265 2 12 LEU QD 2 13 ARG HA 5.900 . 8.300 4.695 2.390 5.095 . 0 0 "[ . 1 . 2]" 1
1266 2 13 ARG HA 2 13 ARG QG 3.300 . 4.300 2.492 2.060 3.419 . 0 0 "[ . 1 . 2]" 1
1267 2 13 ARG QB 2 13 ARG QD 2.700 . 4.700 2.118 1.933 2.474 . 0 0 "[ . 1 . 2]" 1
1268 2 14 LEU HA 2 14 LEU QD 2.700 . 4.400 2.583 2.026 3.210 . 0 0 "[ . 1 . 2]" 1
1269 2 14 LEU HA 2 14 LEU HG 3.300 . 3.300 2.338 2.086 2.805 . 0 0 "[ . 1 . 2]" 1
1270 2 14 LEU QB 2 14 LEU QD 2.700 . 6.100 1.838 1.747 1.944 0.053 13 0 "[ . 1 . 2]" 1
1271 2 15 LYS HA 2 15 LYS QD 3.300 . 4.300 2.592 1.868 3.928 . 0 0 "[ . 1 . 2]" 1
1272 2 15 LYS HA 2 15 LYS QG 3.300 . 4.300 2.817 2.126 3.433 . 0 0 "[ . 1 . 2]" 1
1273 1 9 PHE HA 1 9 PHE QD 2.900 . 4.900 3.412 3.381 3.445 . 0 0 "[ . 1 . 2]" 1
1274 1 9 PHE QB 1 9 PHE QD 2.900 . 5.900 2.124 2.116 2.131 . 0 0 "[ . 1 . 2]" 1
1275 1 9 PHE QD 2 7 VAL HA 5.000 . 7.000 6.034 5.706 6.242 . 0 0 "[ . 1 . 2]" 1
1276 1 9 PHE QD 2 7 VAL HB 5.000 . 7.000 5.864 5.698 6.042 . 0 0 "[ . 1 . 2]" 1
1277 1 9 PHE QD 2 7 VAL QG 2.900 . 7.300 3.142 3.073 3.280 . 0 0 "[ . 1 . 2]" 1
1278 1 9 PHE QD 1 13 VAL QG 3.500 . 7.900 2.337 2.216 2.491 . 0 0 "[ . 1 . 2]" 1
1279 1 9 PHE QD 1 61 ALA MB 2.900 . 6.400 2.042 1.815 2.358 . 0 0 "[ . 1 . 2]" 1
1280 1 9 PHE QD 1 62 ILE HA 5.000 . 7.000 4.112 3.856 4.368 . 0 0 "[ . 1 . 2]" 1
1281 1 9 PHE QD 1 65 LEU QD 5.000 . 9.400 2.876 2.602 3.114 . 0 0 "[ . 1 . 2]" 1
1282 1 9 PHE QE 2 7 VAL QG 2.900 . 7.300 1.756 1.705 1.787 0.095 9 0 "[ . 1 . 2]" 1
1283 1 9 PHE QE 1 13 VAL QG 3.500 . 7.900 2.551 2.437 2.678 . 0 0 "[ . 1 . 2]" 1
1284 1 9 PHE QE 1 26 LEU QD 5.000 . 9.400 3.692 3.132 4.516 . 0 0 "[ . 1 . 2]" 1
1285 1 9 PHE QE 1 30 LEU QD 3.500 . 7.900 3.694 3.469 3.869 . 0 0 "[ . 1 . 2]" 1
1286 1 9 PHE QE 1 61 ALA MB 3.500 . 7.000 3.197 2.846 3.497 . 0 0 "[ . 1 . 2]" 1
1287 1 9 PHE QE 1 62 ILE HA 3.500 . 5.500 3.301 3.115 3.462 . 0 0 "[ . 1 . 2]" 1
1288 1 9 PHE QE 1 62 ILE QG 3.500 . 6.500 3.312 2.940 3.995 . 0 0 "[ . 1 . 2]" 1
1289 1 9 PHE QE 1 62 ILE MG 5.000 . 8.500 4.904 4.713 5.089 . 0 0 "[ . 1 . 2]" 1
1290 1 9 PHE QE 1 65 LEU QD 2.900 . 7.300 1.788 1.725 1.923 0.075 19 0 "[ . 1 . 2]" 1
1291 1 9 PHE HZ 2 7 VAL HB 3.500 . 3.500 3.529 3.516 3.550 0.050 8 0 "[ . 1 . 2]" 1
1292 1 10 ARG QG 2 11 TYR QD 3.500 . 6.500 2.529 1.835 4.172 . 0 0 "[ . 1 . 2]" 1
1293 1 11 HIS QB 1 11 HIS HD2 3.500 . 4.500 3.225 2.843 3.300 . 0 0 "[ . 1 . 2]" 1
1294 1 13 VAL QG 2 11 TYR QD 2.900 . 7.300 4.718 4.448 4.834 . 0 0 "[ . 1 . 2]" 1
1295 1 15 PHE HA 1 15 PHE QE 5.000 . 7.000 4.694 4.522 4.834 . 0 0 "[ . 1 . 2]" 1
1296 1 15 PHE QD 1 16 LEU QD 2.900 . 7.300 2.281 1.942 2.938 . 0 0 "[ . 1 . 2]" 1
1297 1 15 PHE QD 1 16 LEU HG 3.500 . 5.500 2.282 1.973 2.857 . 0 0 "[ . 1 . 2]" 1
1298 1 15 PHE QE 1 16 LEU QD 2.900 . 7.300 2.583 2.264 3.010 . 0 0 "[ . 1 . 2]" 1
1299 1 15 PHE QE 1 16 LEU HG 3.500 . 5.500 4.137 3.748 4.558 . 0 0 "[ . 1 . 2]" 1
1300 1 15 PHE HZ 1 16 LEU QD 3.500 . 5.900 4.380 4.377 4.384 . 0 0 "[ . 1 . 2]" 1
1301 1 25 TYR HA 1 25 TYR QD 3.500 . 5.500 2.535 2.030 3.099 . 0 0 "[ . 1 . 2]" 1
1302 1 25 TYR QB 1 25 TYR QD 2.900 . 5.900 2.160 2.134 2.201 . 0 0 "[ . 1 . 2]" 1
1303 1 25 TYR QD 1 26 LEU HA 5.000 . 7.000 4.427 3.376 4.991 . 0 0 "[ . 1 . 2]" 1
1304 1 25 TYR QD 1 29 VAL QG 3.500 . 7.900 2.850 2.172 3.544 . 0 0 "[ . 1 . 2]" 1
1305 1 25 TYR QD 1 49 VAL HB 2.900 . 4.900 2.939 2.015 3.787 . 0 0 "[ . 1 . 2]" 1
1306 1 25 TYR QD 1 49 VAL QG 2.900 . 7.300 2.989 2.054 3.665 . 0 0 "[ . 1 . 2]" 1
1307 1 25 TYR QE 1 29 VAL QG 3.500 . 7.900 3.590 2.577 4.406 . 0 0 "[ . 1 . 2]" 1
1308 1 25 TYR QE 1 48 LEU QB 3.500 . 6.500 2.850 1.911 3.712 . 0 0 "[ . 1 . 2]" 1
1309 1 25 TYR QE 1 49 VAL HB 3.500 . 5.500 4.447 3.569 4.908 . 0 0 "[ . 1 . 2]" 1
1310 1 25 TYR QE 1 49 VAL QG 2.900 . 7.300 4.203 3.201 4.665 . 0 0 "[ . 1 . 2]" 1
1311 1 27 TYR HA 1 27 TYR QE 5.000 . 7.000 4.348 4.232 4.441 . 0 0 "[ . 1 . 2]" 1
1312 1 27 TYR QE 2 8 LEU HA 5.000 . 7.000 5.327 4.221 5.830 . 0 0 "[ . 1 . 2]" 1
1313 1 27 TYR QE 2 11 TYR QB 5.000 . 8.000 3.123 2.253 3.893 . 0 0 "[ . 1 . 2]" 1
1314 1 27 TYR QE 1 30 LEU QD 5.000 . 9.400 4.108 3.750 4.672 . 0 0 "[ . 1 . 2]" 1
1315 1 33 TYR QD 2 4 LEU QD 2.900 . 7.300 2.120 1.710 2.901 0.090 1 0 "[ . 1 . 2]" 1
1316 1 33 TYR QD 1 37 MET HA 5.000 . 7.000 2.981 1.994 3.692 . 0 0 "[ . 1 . 2]" 1
1317 1 33 TYR QD 1 39 VAL HA 5.000 . 7.000 3.567 2.952 4.877 . 0 0 "[ . 1 . 2]" 1
1318 1 33 TYR QD 1 42 LEU QB 5.000 . 8.000 3.663 2.937 3.977 . 0 0 "[ . 1 . 2]" 1
1319 1 33 TYR QD 1 42 LEU QD 3.500 . 7.900 2.224 1.744 2.634 0.056 13 0 "[ . 1 . 2]" 1
1320 1 33 TYR QE 2 4 LEU QD 2.900 . 7.300 2.632 1.935 3.981 . 0 0 "[ . 1 . 2]" 1
1321 1 33 TYR QE 1 37 MET HA 3.500 . 5.500 3.730 3.531 4.284 . 0 0 "[ . 1 . 2]" 1
1322 1 33 TYR QE 1 37 MET ME 5.000 . 8.500 4.167 3.195 5.411 . 0 0 "[ . 1 . 2]" 1
1323 1 33 TYR QE 1 39 VAL HA 3.500 . 5.500 3.477 2.565 4.282 . 0 0 "[ . 1 . 2]" 1
1324 1 33 TYR QE 1 39 VAL QG 5.000 . 9.400 2.137 1.827 2.827 . 0 0 "[ . 1 . 2]" 1
1325 1 33 TYR QE 1 42 LEU QD 5.000 . 9.400 2.969 2.436 3.906 . 0 0 "[ . 1 . 2]" 1
1326 1 33 TYR QE 1 66 ILE MD 2.900 . 6.400 2.807 1.925 3.628 . 0 0 "[ . 1 . 2]" 1
1327 1 34 HIS QB 1 34 HIS HD2 3.500 . 4.500 2.849 2.659 3.065 . 0 0 "[ . 1 . 2]" 1
1328 1 34 HIS HD2 2 4 LEU QD 2.900 . 5.300 2.262 1.819 3.613 . 0 0 "[ . 1 . 2]" 1
1329 1 34 HIS HD2 2 4 LEU HG 3.500 . 3.500 3.351 2.399 3.511 0.011 8 0 "[ . 1 . 2]" 1
1330 1 34 HIS HD2 2 8 LEU QD 3.500 . 5.900 3.412 2.446 4.268 . 0 0 "[ . 1 . 2]" 1
1331 1 34 HIS HD2 1 37 MET ME 3.500 . 5.000 3.771 2.938 4.161 . 0 0 "[ . 1 . 2]" 1
1332 1 39 VAL QG 1 70 HIS HD2 5.000 . 7.400 3.863 3.159 4.263 . 0 0 "[ . 1 . 2]" 1
1333 1 39 VAL QG 1 74 TYR QD 5.000 . 9.400 2.108 1.856 2.659 . 0 0 "[ . 1 . 2]" 1
1334 1 42 LEU QD 1 74 TYR QD 2.900 . 7.300 3.576 2.427 4.826 . 0 0 "[ . 1 . 2]" 1
1335 1 42 LEU QD 1 74 TYR QE 2.900 . 7.300 2.735 1.828 4.015 . 0 0 "[ . 1 . 2]" 1
1336 1 43 VAL QG 1 59 PHE QE 3.500 . 7.900 2.925 2.294 3.650 . 0 0 "[ . 1 . 2]" 1
1337 1 43 VAL QG 1 59 PHE HZ 5.000 . 7.400 2.303 1.922 2.859 . 0 0 "[ . 1 . 2]" 1
1338 1 46 LEU QB 1 59 PHE QE 5.000 . 8.000 2.339 1.857 3.142 . 0 0 "[ . 1 . 2]" 1
1339 1 46 LEU QD 1 59 PHE QD 3.500 . 7.900 3.115 2.240 3.585 . 0 0 "[ . 1 . 2]" 1
1340 1 46 LEU QD 1 59 PHE QE 2.900 . 7.300 2.928 1.879 3.542 . 0 0 "[ . 1 . 2]" 1
1341 1 47 LYS HA 1 59 PHE HZ 5.000 . 5.000 4.092 3.082 4.791 . 0 0 "[ . 1 . 2]" 1
1342 1 47 LYS QG 1 59 PHE QE 5.000 . 8.000 2.926 1.966 4.365 . 0 0 "[ . 1 . 2]" 1
1343 1 47 LYS QG 1 59 PHE HZ 3.500 . 4.500 3.487 2.319 4.019 . 0 0 "[ . 1 . 2]" 1
1344 1 50 ILE MD 1 59 PHE QD 5.000 . 8.500 2.412 1.854 3.397 . 0 0 "[ . 1 . 2]" 1
1345 1 50 ILE MD 1 59 PHE QE 3.500 . 7.000 3.294 2.078 4.076 . 0 0 "[ . 1 . 2]" 1
1346 1 50 ILE MD 1 59 PHE HZ 5.000 . 6.500 4.816 4.176 5.180 . 0 0 "[ . 1 . 2]" 1
1347 1 50 ILE MG 1 59 PHE QD 3.500 . 7.000 1.979 1.744 2.597 0.056 1 0 "[ . 1 . 2]" 1
1348 1 50 ILE MG 1 59 PHE QE 3.500 . 7.000 3.474 2.885 3.852 . 0 0 "[ . 1 . 2]" 1
1349 1 50 ILE MG 1 59 PHE HZ 5.000 . 6.500 5.021 4.485 5.442 . 0 0 "[ . 1 . 2]" 1
1350 1 56 LEU HA 1 59 PHE QD 5.000 . 7.000 4.078 3.354 4.708 . 0 0 "[ . 1 . 2]" 1
1351 1 56 LEU QD 1 59 PHE QD 2.900 . 7.300 3.528 2.653 4.054 . 0 0 "[ . 1 . 2]" 1
1352 1 56 LEU QD 1 59 PHE QE 2.900 . 7.300 4.605 3.881 4.831 . 0 0 "[ . 1 . 2]" 1
1353 1 59 PHE QD 1 74 TYR QE 5.000 . 9.000 2.625 1.992 3.755 . 0 0 "[ . 1 . 2]" 1
1354 1 59 PHE QD 1 78 THR MG 2.900 . 6.400 3.026 1.954 4.678 . 0 0 "[ . 1 . 2]" 1
1355 1 59 PHE QE 1 78 THR MG 3.500 . 7.000 2.497 1.887 4.297 . 0 0 "[ . 1 . 2]" 1
1356 1 69 LYS QB 1 70 HIS HD2 5.000 . 6.000 2.883 2.210 3.495 . 0 0 "[ . 1 . 2]" 1
1357 1 69 LYS QD 1 70 HIS HD2 5.000 . 6.000 3.776 1.989 5.297 . 0 0 "[ . 1 . 2]" 1
1358 1 69 LYS QG 1 70 HIS HD2 3.500 . 4.500 2.979 1.997 4.016 . 0 0 "[ . 1 . 2]" 1
1359 1 70 HIS HA 1 70 HIS HD2 2.900 . 2.900 2.571 2.376 2.903 0.003 8 0 "[ . 1 . 2]" 1
1360 1 74 TYR HA 1 74 TYR QD 3.500 . 5.500 2.879 2.032 3.199 . 0 0 "[ . 1 . 2]" 1
1361 2 11 TYR HA 2 11 TYR QD 2.900 . 4.900 2.472 2.003 3.704 . 0 0 "[ . 1 . 2]" 1
1362 2 11 TYR QB 2 11 TYR QD 2.900 . 5.900 2.179 2.136 2.278 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 463
_Distance_constraint_stats_list.Viol_total 188.917
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0125
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0204
_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 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.348 0.029 11 0 "[ . 1 . 2]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.395 0.037 5 0 "[ . 1 . 2]"
1 9 PHE 0.080 0.022 5 0 "[ . 1 . 2]"
1 10 ARG 0.826 0.037 12 0 "[ . 1 . 2]"
1 11 HIS 0.378 0.038 5 0 "[ . 1 . 2]"
1 12 LYS 0.398 0.037 5 0 "[ . 1 . 2]"
1 13 VAL 0.651 0.040 9 0 "[ . 1 . 2]"
1 14 ASP 0.478 0.037 12 0 "[ . 1 . 2]"
1 15 PHE 0.378 0.038 5 0 "[ . 1 . 2]"
1 16 LEU 0.002 0.002 4 0 "[ . 1 . 2]"
1 17 ILE 0.571 0.040 9 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.208 0.023 13 0 "[ . 1 . 2]"
1 23 LYS 0.003 0.003 9 0 "[ . 1 . 2]"
1 24 ASP 0.278 0.027 11 0 "[ . 1 . 2]"
1 25 TYR 0.013 0.005 13 0 "[ . 1 . 2]"
1 26 LEU 0.208 0.023 13 0 "[ . 1 . 2]"
1 27 TYR 0.003 0.003 9 0 "[ . 1 . 2]"
1 28 ASP 0.294 0.027 11 0 "[ . 1 . 2]"
1 29 VAL 0.126 0.035 13 0 "[ . 1 . 2]"
1 30 LEU 0.141 0.028 15 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.016 0.010 18 0 "[ . 1 . 2]"
1 33 TYR 0.113 0.035 13 0 "[ . 1 . 2]"
1 34 HIS 0.141 0.028 15 0 "[ . 1 . 2]"
1 39 VAL 0.426 0.030 4 0 "[ . 1 . 2]"
1 41 VAL 0.229 0.024 11 0 "[ . 1 . 2]"
1 42 LEU 0.134 0.023 13 0 "[ . 1 . 2]"
1 43 VAL 0.614 0.030 4 0 "[ . 1 . 2]"
1 44 GLY 0.005 0.004 17 0 "[ . 1 . 2]"
1 45 ASP 1.000 0.053 9 0 "[ . 1 . 2]"
1 46 LEU 0.184 0.023 13 0 "[ . 1 . 2]"
1 47 LYS 1.662 0.089 19 0 "[ . 1 . 2]"
1 48 LEU 0.005 0.004 17 0 "[ . 1 . 2]"
1 49 VAL 0.771 0.053 9 0 "[ . 1 . 2]"
1 50 ILE 0.050 0.015 2 0 "[ . 1 . 2]"
1 51 ASN 1.474 0.089 19 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.920 0.064 16 0 "[ . 1 . 2]"
1 70 HIS 0.055 0.014 1 0 "[ . 1 . 2]"
1 71 GLN 0.009 0.006 10 0 "[ . 1 . 2]"
1 72 VAL 0.151 0.021 9 0 "[ . 1 . 2]"
1 73 GLU 1.117 0.064 16 0 "[ . 1 . 2]"
1 74 TYR 0.095 0.014 1 0 "[ . 1 . 2]"
1 75 ASP 0.009 0.006 10 0 "[ . 1 . 2]"
1 76 GLN 0.151 0.021 9 0 "[ . 1 . 2]"
1 77 LEU 0.197 0.022 10 0 "[ . 1 . 2]"
1 78 THR 0.040 0.011 6 0 "[ . 1 . 2]"
2 3 LEU 0.312 0.031 1 0 "[ . 1 . 2]"
2 4 LEU 0.273 0.036 10 0 "[ . 1 . 2]"
2 5 LYS 0.063 0.015 13 0 "[ . 1 . 2]"
2 6 GLU 0.010 0.010 10 0 "[ . 1 . 2]"
2 7 VAL 0.515 0.031 1 0 "[ . 1 . 2]"
2 8 LEU 0.312 0.036 10 0 "[ . 1 . 2]"
2 9 GLU 0.117 0.020 18 0 "[ . 1 . 2]"
2 10 ASP 0.043 0.013 9 0 "[ . 1 . 2]"
2 11 TYR 0.991 0.061 3 0 "[ . 1 . 2]"
2 12 LEU 0.038 0.019 7 0 "[ . 1 . 2]"
2 13 ARG 0.054 0.020 18 0 "[ . 1 . 2]"
2 14 LEU 0.033 0.013 9 0 "[ . 1 . 2]"
2 15 LYS 0.788 0.061 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LYS O 1 8 GLU N 3.300 2.200 3.300 2.746 2.596 2.890 . 0 0 "[ . 1 . 2]" 2
2 1 4 LYS O 1 8 GLU H 2.200 . 2.200 1.958 1.820 2.118 . 0 0 "[ . 1 . 2]" 2
3 1 5 VAL O 1 9 PHE N 3.300 2.200 3.300 2.976 2.855 3.104 . 0 0 "[ . 1 . 2]" 2
4 1 5 VAL O 1 9 PHE H 2.200 . 2.200 2.031 1.903 2.159 . 0 0 "[ . 1 . 2]" 2
5 1 6 ALA O 1 10 ARG N 3.300 2.200 3.300 2.726 2.707 2.760 . 0 0 "[ . 1 . 2]" 2
6 1 6 ALA O 1 10 ARG H 2.200 . 2.200 1.783 1.771 1.806 0.029 11 0 "[ . 1 . 2]" 2
7 1 7 ARG O 1 11 HIS N 3.300 2.200 3.300 2.757 2.719 2.814 . 0 0 "[ . 1 . 2]" 2
8 1 7 ARG O 1 11 HIS H 2.200 . 2.200 1.905 1.866 1.986 . 0 0 "[ . 1 . 2]" 2
9 1 8 GLU O 1 12 LYS N 3.300 2.200 3.300 3.113 3.057 3.141 . 0 0 "[ . 1 . 2]" 2
10 1 8 GLU O 1 12 LYS H 2.200 . 2.200 2.219 2.187 2.237 0.037 5 0 "[ . 1 . 2]" 2
11 1 9 PHE O 1 13 VAL N 3.300 2.200 3.300 3.005 2.912 3.067 . 0 0 "[ . 1 . 2]" 2
12 1 9 PHE O 1 13 VAL H 2.200 . 2.200 2.161 2.044 2.222 0.022 5 0 "[ . 1 . 2]" 2
13 1 10 ARG O 1 14 ASP N 3.300 2.200 3.300 3.151 3.048 3.182 . 0 0 "[ . 1 . 2]" 2
14 1 10 ARG O 1 14 ASP H 2.200 . 2.200 2.220 2.129 2.237 0.037 12 0 "[ . 1 . 2]" 2
15 1 11 HIS O 1 15 PHE N 3.300 2.200 3.300 3.136 3.100 3.154 . 0 0 "[ . 1 . 2]" 2
16 1 11 HIS O 1 15 PHE H 2.200 . 2.200 2.219 2.212 2.238 0.038 5 0 "[ . 1 . 2]" 2
17 1 12 LYS O 1 16 LEU N 3.300 2.200 3.300 2.788 2.641 2.919 . 0 0 "[ . 1 . 2]" 2
18 1 12 LYS O 1 16 LEU H 2.200 . 2.200 1.959 1.798 2.162 0.002 4 0 "[ . 1 . 2]" 2
19 1 13 VAL O 1 17 ILE N 3.300 2.200 3.300 2.549 2.523 2.648 . 0 0 "[ . 1 . 2]" 2
20 1 13 VAL O 1 17 ILE H 2.200 . 2.200 2.229 2.210 2.240 0.040 9 0 "[ . 1 . 2]" 2
21 1 21 ALA O 1 25 TYR N 3.300 2.200 3.300 2.928 2.791 3.022 . 0 0 "[ . 1 . 2]" 2
22 1 21 ALA O 1 25 TYR H 2.200 . 2.200 2.003 1.848 2.097 . 0 0 "[ . 1 . 2]" 2
23 1 22 GLU O 1 26 LEU N 3.300 2.200 3.300 3.134 3.098 3.166 . 0 0 "[ . 1 . 2]" 2
24 1 22 GLU O 1 26 LEU H 2.200 . 2.200 2.210 2.194 2.223 0.023 13 0 "[ . 1 . 2]" 2
25 1 23 LYS O 1 27 TYR N 3.300 2.200 3.300 2.904 2.776 3.103 . 0 0 "[ . 1 . 2]" 2
26 1 23 LYS O 1 27 TYR H 2.200 . 2.200 2.004 1.859 2.203 0.003 9 0 "[ . 1 . 2]" 2
27 1 24 ASP O 1 28 ASP N 3.300 2.200 3.300 3.141 3.062 3.176 . 0 0 "[ . 1 . 2]" 2
28 1 24 ASP O 1 28 ASP H 2.200 . 2.200 2.214 2.198 2.227 0.027 11 0 "[ . 1 . 2]" 2
29 1 25 TYR O 1 29 VAL N 3.300 2.200 3.300 2.983 2.796 3.127 . 0 0 "[ . 1 . 2]" 2
30 1 25 TYR O 1 29 VAL H 2.200 . 2.200 2.089 1.899 2.205 0.005 13 0 "[ . 1 . 2]" 2
31 1 26 LEU O 1 30 LEU N 3.300 2.200 3.300 2.988 2.819 3.153 . 0 0 "[ . 1 . 2]" 2
32 1 26 LEU O 1 30 LEU H 2.200 . 2.200 2.042 1.891 2.192 . 0 0 "[ . 1 . 2]" 2
33 1 27 TYR O 1 31 ARG N 3.300 2.200 3.300 2.940 2.778 3.050 . 0 0 "[ . 1 . 2]" 2
34 1 27 TYR O 1 31 ARG H 2.200 . 2.200 2.012 1.844 2.137 . 0 0 "[ . 1 . 2]" 2
35 1 28 ASP O 1 32 MET N 3.300 2.200 3.300 2.932 2.699 3.065 . 0 0 "[ . 1 . 2]" 2
36 1 28 ASP O 1 32 MET H 2.200 . 2.200 2.078 1.813 2.210 0.010 18 0 "[ . 1 . 2]" 2
37 1 29 VAL O 1 33 TYR N 3.300 2.200 3.300 3.049 2.812 3.191 . 0 0 "[ . 1 . 2]" 2
38 1 29 VAL O 1 33 TYR H 2.200 . 2.200 2.099 1.856 2.235 0.035 13 0 "[ . 1 . 2]" 2
39 1 30 LEU O 1 34 HIS N 3.300 2.200 3.300 3.095 3.014 3.162 . 0 0 "[ . 1 . 2]" 2
40 1 30 LEU O 1 34 HIS H 2.200 . 2.200 2.185 2.069 2.228 0.028 15 0 "[ . 1 . 2]" 2
41 1 39 VAL O 1 43 VAL N 3.300 2.200 3.300 3.133 3.085 3.176 . 0 0 "[ . 1 . 2]" 2
42 1 39 VAL O 1 43 VAL H 2.200 . 2.200 2.221 2.214 2.230 0.030 4 0 "[ . 1 . 2]" 2
43 1 41 VAL O 1 45 ASP N 3.300 2.200 3.300 3.189 3.172 3.205 . 0 0 "[ . 1 . 2]" 2
44 1 41 VAL O 1 45 ASP H 2.200 . 2.200 2.211 2.204 2.224 0.024 11 0 "[ . 1 . 2]" 2
45 1 42 LEU O 1 46 LEU N 3.300 2.200 3.300 2.735 2.653 3.001 . 0 0 "[ . 1 . 2]" 2
46 1 42 LEU O 1 46 LEU H 2.200 . 2.200 1.838 1.777 2.075 0.023 13 0 "[ . 1 . 2]" 2
47 1 43 VAL O 1 47 LYS N 3.300 2.200 3.300 3.116 3.067 3.183 . 0 0 "[ . 1 . 2]" 2
48 1 43 VAL O 1 47 LYS H 2.200 . 2.200 2.209 2.204 2.221 0.021 19 0 "[ . 1 . 2]" 2
49 1 44 GLY O 1 48 LEU N 3.700 2.200 3.700 3.405 3.194 3.548 . 0 0 "[ . 1 . 2]" 2
50 1 44 GLY O 1 48 LEU H 2.600 . 2.600 2.462 2.243 2.604 0.004 17 0 "[ . 1 . 2]" 2
51 1 45 ASP O 1 49 VAL N 3.300 2.200 3.300 3.127 3.106 3.148 . 0 0 "[ . 1 . 2]" 2
52 1 45 ASP O 1 49 VAL H 2.200 . 2.200 2.239 2.213 2.253 0.053 9 0 "[ . 1 . 2]" 2
53 1 46 LEU O 1 50 ILE N 3.300 2.200 3.300 2.526 2.507 2.571 . 0 0 "[ . 1 . 2]" 2
54 1 46 LEU O 1 50 ILE H 2.200 . 2.200 2.174 2.032 2.215 0.015 2 0 "[ . 1 . 2]" 2
55 1 47 LYS O 1 51 ASN N 3.300 2.200 3.300 2.479 2.460 2.508 . 0 0 "[ . 1 . 2]" 2
56 1 47 LYS O 1 51 ASN H 2.200 . 2.200 2.274 2.262 2.289 0.089 19 0 "[ . 1 . 2]" 2
57 1 58 LEU O 1 62 ILE N 3.900 2.200 3.900 3.006 2.877 3.148 . 0 0 "[ . 1 . 2]" 2
58 1 58 LEU O 1 62 ILE H 2.800 . 2.800 2.037 1.905 2.176 . 0 0 "[ . 1 . 2]" 2
59 1 69 LYS O 1 73 GLU N 3.300 2.200 3.300 3.200 3.162 3.228 . 0 0 "[ . 1 . 2]" 2
60 1 69 LYS O 1 73 GLU H 2.200 . 2.200 2.246 2.229 2.264 0.064 16 0 "[ . 1 . 2]" 2
61 1 70 HIS O 1 74 TYR N 3.300 2.200 3.300 2.689 2.572 2.868 . 0 0 "[ . 1 . 2]" 2
62 1 70 HIS O 1 74 TYR H 2.200 . 2.200 1.861 1.786 2.042 0.014 1 0 "[ . 1 . 2]" 2
63 1 71 GLN O 1 75 ASP N 3.300 2.200 3.300 2.973 2.743 3.139 . 0 0 "[ . 1 . 2]" 2
64 1 71 GLN O 1 75 ASP H 2.200 . 2.200 2.051 1.794 2.203 0.006 10 0 "[ . 1 . 2]" 2
65 1 72 VAL O 1 76 GLN N 3.300 2.200 3.300 3.120 2.960 3.192 . 0 0 "[ . 1 . 2]" 2
66 1 72 VAL O 1 76 GLN H 2.200 . 2.200 2.193 2.016 2.221 0.021 9 0 "[ . 1 . 2]" 2
67 1 73 GLU O 1 77 LEU N 3.300 2.200 3.300 3.022 2.843 3.172 . 0 0 "[ . 1 . 2]" 2
68 1 73 GLU O 1 77 LEU H 2.200 . 2.200 2.207 2.135 2.222 0.022 10 0 "[ . 1 . 2]" 2
69 1 74 TYR O 1 78 THR N 3.300 2.200 3.300 2.916 2.660 3.072 . 0 0 "[ . 1 . 2]" 2
70 1 74 TYR O 1 78 THR H 2.200 . 2.200 2.091 1.798 2.211 0.011 6 0 "[ . 1 . 2]" 2
71 2 3 LEU O 2 7 VAL N 3.300 2.200 3.300 3.079 3.005 3.132 . 0 0 "[ . 1 . 2]" 2
72 2 3 LEU O 2 7 VAL H 2.200 . 2.200 2.210 2.093 2.231 0.031 1 0 "[ . 1 . 2]" 2
73 2 4 LEU O 2 8 LEU N 3.300 2.200 3.300 3.134 3.084 3.195 . 0 0 "[ . 1 . 2]" 2
74 2 4 LEU O 2 8 LEU H 2.200 . 2.200 2.209 2.115 2.236 0.036 10 0 "[ . 1 . 2]" 2
75 2 5 LYS O 2 9 GLU N 3.300 2.200 3.300 3.040 2.730 3.165 . 0 0 "[ . 1 . 2]" 2
76 2 5 LYS O 2 9 GLU H 2.200 . 2.200 2.110 1.794 2.215 0.015 13 0 "[ . 1 . 2]" 2
77 2 6 GLU O 2 10 ASP N 3.300 2.200 3.300 2.876 2.743 3.072 . 0 0 "[ . 1 . 2]" 2
78 2 6 GLU O 2 10 ASP H 2.200 . 2.200 2.038 1.875 2.210 0.010 10 0 "[ . 1 . 2]" 2
79 2 7 VAL O 2 11 TYR N 3.300 2.200 3.300 3.107 2.857 3.181 . 0 0 "[ . 1 . 2]" 2
80 2 7 VAL O 2 11 TYR H 2.200 . 2.200 2.193 1.966 2.224 0.024 18 0 "[ . 1 . 2]" 2
81 2 8 LEU O 2 12 LEU N 3.300 2.200 3.300 2.999 2.708 3.183 . 0 0 "[ . 1 . 2]" 2
82 2 8 LEU O 2 12 LEU H 2.200 . 2.200 2.052 1.804 2.219 0.019 7 0 "[ . 1 . 2]" 2
83 2 9 GLU O 2 13 ARG N 3.300 2.200 3.300 2.973 2.625 3.136 . 0 0 "[ . 1 . 2]" 2
84 2 9 GLU O 2 13 ARG H 2.200 . 2.200 2.083 1.780 2.220 0.020 18 0 "[ . 1 . 2]" 2
85 2 10 ASP O 2 14 LEU N 3.300 2.200 3.300 2.968 2.781 3.074 . 0 0 "[ . 1 . 2]" 2
86 2 10 ASP O 2 14 LEU H 2.200 . 2.200 2.138 1.938 2.213 0.013 9 0 "[ . 1 . 2]" 2
87 2 11 TYR O 2 15 LYS N 3.300 2.200 3.300 2.854 2.718 2.962 . 0 0 "[ . 1 . 2]" 2
88 2 11 TYR O 2 15 LYS H 2.200 . 2.200 2.239 2.217 2.261 0.061 3 0 "[ . 1 . 2]" 2
stop_
save_