NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641001 |
5zd0   |
27356 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5zd0
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 433
_Distance_constraint_stats_list.Viol_count 745
_Distance_constraint_stats_list.Viol_total 4474.060
_Distance_constraint_stats_list.Viol_max 1.657
_Distance_constraint_stats_list.Viol_rms 0.1274
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0258
_Distance_constraint_stats_list.Viol_average_violations_only 0.3003
_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 GLN 28.894 1.516 2 20 [*+***********-******]
1 3 ILE 20.611 1.367 16 19 "[*-*************+** *]"
1 4 PHE 1.068 0.317 13 0 "[ . 1 . 2]"
1 5 VAL 2.859 0.471 3 0 "[ . 1 . 2]"
1 6 LYS 2.911 0.518 14 1 "[ . 1 +. 2]"
1 7 THR 4.261 0.491 11 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.151 0.119 18 0 "[ . 1 . 2]"
1 12 THR 2.206 0.518 14 1 "[ . 1 +. 2]"
1 13 ILE 15.722 1.073 20 14 "[* **. * 1******-**+]"
1 14 THR 0.252 0.030 20 0 "[ . 1 . 2]"
1 15 LEU 3.268 0.350 3 0 "[ . 1 . 2]"
1 16 GLU 2.005 0.137 10 0 "[ . 1 . 2]"
1 17 VAL 49.197 1.657 18 19 "[**- *************+**]"
1 18 GLU 0.462 0.182 18 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASP 24.007 1.657 18 17 "[* -************+**]"
1 22 THR 27.934 1.566 18 19 "[**- *************+**]"
1 23 ILE 4.892 0.611 9 3 "[- .* +1 . 2]"
1 24 GLU 3.335 0.239 6 0 "[ . 1 . 2]"
1 25 ASN 3.335 0.239 6 0 "[ . 1 . 2]"
1 26 VAL 11.992 0.558 14 5 "[ -* . * 1 +. *2]"
1 27 LYS 9.728 0.558 14 5 "[ -* . * 1 +. *2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 6.190 0.384 14 0 "[ . 1 . 2]"
1 30 ILE 7.098 0.384 14 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.832 0.350 3 0 "[ . 1 . 2]"
1 34 GLU 15.470 1.073 20 14 "[* **. * 1******-**+]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 9.231 0.790 20 2 "[ . 1 * +]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLN 1.643 0.597 20 1 "[ . 1 . +]"
1 41 GLN 6.946 0.790 20 2 "[ . 1 - +]"
1 42 ARG 0.274 0.178 3 0 "[ . 1 . 2]"
1 43 LEU 5.060 0.675 13 3 "[ . 1* + - 2]"
1 44 ALA 0.170 0.073 14 0 "[ . 1 . 2]"
1 45 PHE 12.059 1.498 8 8 "[ . + * * *.-***2]"
1 46 ALA 0.605 0.156 9 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 2.058 0.626 18 1 "[ . 1 . + 2]"
1 49 GLN 2.089 0.309 1 0 "[ . 1 . 2]"
1 50 LEU 4.158 0.400 12 0 "[ . 1 . 2]"
1 51 GLU 4.842 0.596 20 4 "[ . * *1 - . +]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 1.540 0.260 4 0 "[ . 1 . 2]"
1 55 THR 14.488 0.598 15 3 "[ - *. 1 + 2]"
1 56 LEU 0.897 0.179 20 0 "[ . 1 . 2]"
1 57 SER 10.167 0.632 2 2 "[ + - 1 . 2]"
1 58 ASP 7.459 0.506 4 2 "[ - +. 1 . 2]"
1 59 TYR 17.208 0.626 18 7 "[* .** *1 - . + *]"
1 60 ASN 4.426 0.233 6 0 "[ . 1 . 2]"
1 61 ILE 43.496 1.498 8 20 [*-*****+************]
1 62 GLN 0.559 0.080 13 0 "[ . 1 . 2]"
1 63 LYS 12.598 0.919 18 16 "[*** * ***1***-.**+**]"
1 64 GLU 16.297 1.516 2 20 [*+****-*************]
1 65 SER 6.489 0.540 2 2 "[ + . 1 . - 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 1.923 0.368 5 0 "[ . 1 . 2]"
1 68 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 6.044 0.675 13 3 "[ . 1* + - 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 4.419 0.491 11 0 "[ . 1 . 2]"
1 72 ARG 0.321 0.115 7 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN H 1 2 GLN QB . . 3.580 2.478 2.247 2.563 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN H 1 63 LYS QB . . 3.880 4.510 4.201 4.799 0.919 18 16 "[*** * ***1***-.**+**]" 1
3 1 2 GLN H 1 64 GLU QB . . 3.900 4.715 4.462 5.416 1.516 2 20 [*+****-*************] 1
4 1 2 GLN HA 1 15 LEU H . . 5.230 5.044 4.897 5.091 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN QB 1 3 ILE H . . 4.070 2.220 2.111 2.415 . 0 0 "[ . 1 . 2]" 1
6 1 3 ILE H 1 3 ILE MD . . 4.750 3.972 3.809 4.077 . 0 0 "[ . 1 . 2]" 1
7 1 3 ILE H 1 3 ILE MG . . 4.140 2.971 2.780 3.133 . 0 0 "[ . 1 . 2]" 1
8 1 3 ILE H 1 15 LEU H . . 4.800 2.846 2.746 2.902 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE H 1 17 VAL MG2 . . 4.930 5.042 4.789 5.304 0.374 11 0 "[ . 1 . 2]" 1
10 1 3 ILE HA 1 3 ILE MD . . 4.570 4.150 4.128 4.167 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE HA 1 4 PHE QD . . 5.370 3.131 2.806 3.611 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE HA 1 4 PHE QE . . 5.250 4.296 4.077 5.026 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE HA 1 65 SER H . . 4.050 2.995 2.870 3.398 . 0 0 "[ . 1 . 2]" 1
14 1 3 ILE HA 1 67 LEU QD . . 4.540 4.229 3.766 4.686 0.146 18 0 "[ . 1 . 2]" 1
15 1 3 ILE HB 1 4 PHE QD . . 4.900 4.677 4.452 5.137 0.237 13 0 "[ . 1 . 2]" 1
16 1 3 ILE HB 1 61 ILE MD . . 5.060 5.878 5.526 6.427 1.367 16 19 "[*-*************+** *]" 1
17 1 3 ILE HB 1 65 SER H . . 4.180 3.950 3.630 4.142 . 0 0 "[ . 1 . 2]" 1
18 1 3 ILE HB 1 67 LEU QD . . 3.350 2.489 2.103 2.979 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE MD 1 4 PHE H . . 5.500 3.938 3.872 3.995 . 0 0 "[ . 1 . 2]" 1
20 1 3 ILE MD 1 15 LEU H . . 4.650 4.483 4.252 4.898 0.248 18 0 "[ . 1 . 2]" 1
21 1 3 ILE MD 1 15 LEU HB3 . . 4.090 2.626 2.418 3.303 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE MD 1 15 LEU QD . . 3.760 2.403 2.109 3.032 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE MD 1 26 VAL QG . . 3.920 2.431 2.255 2.737 . 0 0 "[ . 1 . 2]" 1
24 1 3 ILE MG 1 4 PHE H . . 4.410 3.696 3.619 3.763 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE MG 1 4 PHE QD . . 4.950 4.834 4.598 5.267 0.317 13 0 "[ . 1 . 2]" 1
26 1 3 ILE MG 1 61 ILE HA . . 4.370 4.196 3.861 4.535 0.165 5 0 "[ . 1 . 2]" 1
27 1 3 ILE MG 1 61 ILE MG . . 3.470 2.064 1.944 2.257 . 0 0 "[ . 1 . 2]" 1
28 1 3 ILE MG 1 64 GLU H . . 5.080 3.044 2.649 3.264 . 0 0 "[ . 1 . 2]" 1
29 1 3 ILE MG 1 65 SER H . . 4.200 2.891 2.351 3.211 . 0 0 "[ . 1 . 2]" 1
30 1 4 PHE H 1 4 PHE QD . . 4.580 3.010 2.845 3.415 . 0 0 "[ . 1 . 2]" 1
31 1 4 PHE H 1 66 THR HA . . 4.300 3.229 2.878 3.481 . 0 0 "[ . 1 . 2]" 1
32 1 4 PHE H 1 67 LEU H . . 5.130 3.780 3.483 3.908 . 0 0 "[ . 1 . 2]" 1
33 1 4 PHE H 1 67 LEU QD . . 3.970 3.057 2.514 3.581 . 0 0 "[ . 1 . 2]" 1
34 1 4 PHE QB 1 13 ILE H . . 5.020 4.041 3.789 4.337 . 0 0 "[ . 1 . 2]" 1
35 1 4 PHE QB 1 15 LEU H . . 5.340 5.121 4.982 5.444 0.104 2 0 "[ . 1 . 2]" 1
36 1 4 PHE QB 1 67 LEU H . . 4.970 3.643 3.451 3.932 . 0 0 "[ . 1 . 2]" 1
37 1 4 PHE HB2 1 5 VAL H . . 4.920 4.469 4.424 4.505 . 0 0 "[ . 1 . 2]" 1
38 1 4 PHE HB3 1 5 VAL H . . 4.920 3.730 3.593 3.823 . 0 0 "[ . 1 . 2]" 1
39 1 4 PHE QD 1 12 THR MG . . 4.060 2.189 1.882 2.439 . 0 0 "[ . 1 . 2]" 1
40 1 4 PHE QD 1 14 THR HA . . 5.170 3.206 2.963 3.392 . 0 0 "[ . 1 . 2]" 1
41 1 4 PHE QD 1 64 GLU HA . . 4.920 2.942 2.624 3.422 . 0 0 "[ . 1 . 2]" 1
42 1 4 PHE QD 1 64 GLU QB . . 4.790 3.691 3.541 3.904 . 0 0 "[ . 1 . 2]" 1
43 1 4 PHE QD 1 66 THR HA . . 5.120 4.082 3.665 4.600 . 0 0 "[ . 1 . 2]" 1
44 1 4 PHE QE 1 14 THR MG . . 3.600 3.112 2.860 3.364 . 0 0 "[ . 1 . 2]" 1
45 1 4 PHE QE 1 64 GLU HA . . 5.050 2.897 2.426 4.384 . 0 0 "[ . 1 . 2]" 1
46 1 4 PHE QE 1 64 GLU QB . . 4.870 2.447 2.101 3.864 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL H 1 5 VAL QG . . 4.170 2.418 2.302 2.585 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL H 1 12 THR HA . . 5.270 4.973 4.674 5.086 . 0 0 "[ . 1 . 2]" 1
49 1 5 VAL H 1 12 THR MG . . 4.410 3.985 3.467 4.567 0.157 14 0 "[ . 1 . 2]" 1
50 1 5 VAL H 1 15 LEU H . . 5.290 3.897 3.716 4.150 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL H 1 15 LEU HB3 . . 5.500 4.509 4.169 5.037 . 0 0 "[ . 1 . 2]" 1
52 1 5 VAL HA 1 13 ILE H . . 5.500 4.676 4.477 4.928 . 0 0 "[ . 1 . 2]" 1
53 1 5 VAL HA 1 67 LEU H . . 5.060 2.957 2.787 3.168 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL HA 1 69 LEU QD . . 4.790 4.722 4.390 5.106 0.316 18 0 "[ . 1 . 2]" 1
55 1 5 VAL HB 1 13 ILE H . . 4.750 3.889 3.550 4.278 . 0 0 "[ . 1 . 2]" 1
56 1 5 VAL HB 1 15 LEU QD . . 4.370 3.512 3.244 3.954 . 0 0 "[ . 1 . 2]" 1
57 1 5 VAL HB 1 30 ILE MD . . 4.320 2.915 2.482 3.478 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL QG 1 6 LYS H . . 4.020 2.868 2.751 3.037 . 0 0 "[ . 1 . 2]" 1
59 1 5 VAL QG 1 13 ILE H . . 5.080 4.150 3.907 4.399 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL QG 1 15 LEU H . . 4.500 4.071 3.885 4.258 . 0 0 "[ . 1 . 2]" 1
61 1 5 VAL QG 1 26 VAL HB . . 4.780 4.787 4.533 5.251 0.471 3 0 "[ . 1 . 2]" 1
62 1 5 VAL QG 1 26 VAL QG . . 3.250 2.494 2.276 2.950 . 0 0 "[ . 1 . 2]" 1
63 1 5 VAL QG 1 30 ILE MD . . 4.810 1.928 1.840 2.101 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL QG 1 67 LEU QB . . 3.790 2.307 2.004 2.517 . 0 0 "[ . 1 . 2]" 1
65 1 5 VAL QG 1 69 LEU H . . 4.550 3.772 3.433 4.077 . 0 0 "[ . 1 . 2]" 1
66 1 5 VAL QG 1 69 LEU QB . . 3.800 2.007 1.917 2.161 . 0 0 "[ . 1 . 2]" 1
67 1 5 VAL MG1 1 6 LYS H . . 4.890 2.926 2.793 3.115 . 0 0 "[ . 1 . 2]" 1
68 1 5 VAL MG2 1 6 LYS H . . 4.890 4.131 4.028 4.212 . 0 0 "[ . 1 . 2]" 1
69 1 6 LYS H 1 12 THR HA . . 5.500 4.760 4.468 5.071 . 0 0 "[ . 1 . 2]" 1
70 1 6 LYS H 1 12 THR MG . . 4.930 4.720 4.149 5.448 0.518 14 1 "[ . 1 +. 2]" 1
71 1 6 LYS H 1 13 ILE H . . 5.330 4.714 4.515 4.863 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS H 1 66 THR MG . . 5.100 3.709 3.435 3.934 . 0 0 "[ . 1 . 2]" 1
73 1 6 LYS H 1 67 LEU H . . 5.250 3.573 3.386 3.939 . 0 0 "[ . 1 . 2]" 1
74 1 6 LYS H 1 68 HIS HA . . 5.170 3.425 3.021 3.707 . 0 0 "[ . 1 . 2]" 1
75 1 6 LYS QB 1 66 THR MG . . 3.830 2.814 2.621 2.967 . 0 0 "[ . 1 . 2]" 1
76 1 6 LYS HB2 1 7 THR H . . 4.400 4.442 4.388 4.499 0.099 11 0 "[ . 1 . 2]" 1
77 1 6 LYS HB2 1 66 THR MG . . 4.700 2.985 2.776 3.187 . 0 0 "[ . 1 . 2]" 1
78 1 6 LYS HB3 1 7 THR H . . 4.400 4.322 4.256 4.400 . 0 0 "[ . 1 . 2]" 1
79 1 6 LYS HB3 1 66 THR MG . . 4.700 3.450 3.209 3.626 . 0 0 "[ . 1 . 2]" 1
80 1 7 THR H 1 7 THR MG . . 4.100 2.010 1.886 2.121 . 0 0 "[ . 1 . 2]" 1
81 1 7 THR H 1 13 ILE MD . . 4.970 3.848 3.684 4.182 . 0 0 "[ . 1 . 2]" 1
82 1 7 THR H 1 69 LEU QD . . 4.790 4.175 3.766 4.601 . 0 0 "[ . 1 . 2]" 1
83 1 7 THR HB 1 8 ALA H . . 3.730 2.297 2.201 2.418 . 0 0 "[ . 1 . 2]" 1
84 1 7 THR MG 1 11 LYS H . . 4.260 3.955 3.560 4.379 0.119 18 0 "[ . 1 . 2]" 1
85 1 7 THR MG 1 13 ILE MD . . 3.500 2.067 1.950 2.179 . 0 0 "[ . 1 . 2]" 1
86 1 7 THR MG 1 71 LEU QD . . 2.510 2.657 2.288 3.001 0.491 11 0 "[ . 1 . 2]" 1
87 1 8 ALA H 1 71 LEU H . . 4.930 4.187 3.965 4.527 . 0 0 "[ . 1 . 2]" 1
88 1 8 ALA H 1 71 LEU QD . . 4.980 1.970 1.580 2.635 . 0 0 "[ . 1 . 2]" 1
89 1 8 ALA MB 1 10 GLY H . . 4.550 4.386 4.240 4.483 . 0 0 "[ . 1 . 2]" 1
90 1 8 ALA MB 1 71 LEU QD . . 3.970 2.466 2.164 3.115 . 0 0 "[ . 1 . 2]" 1
91 1 10 GLY H 1 11 LYS H . . 4.420 2.531 2.430 2.671 . 0 0 "[ . 1 . 2]" 1
92 1 11 LYS QB 1 12 THR H . . 4.290 3.440 3.145 3.559 . 0 0 "[ . 1 . 2]" 1
93 1 12 THR H 1 12 THR MG . . 4.310 3.741 3.711 3.807 . 0 0 "[ . 1 . 2]" 1
94 1 12 THR HB 1 13 ILE H . . 5.130 4.013 3.901 4.255 . 0 0 "[ . 1 . 2]" 1
95 1 12 THR MG 1 13 ILE H . . 4.220 2.491 2.326 2.911 . 0 0 "[ . 1 . 2]" 1
96 1 13 ILE H 1 13 ILE MD . . 4.630 4.027 3.986 4.103 . 0 0 "[ . 1 . 2]" 1
97 1 13 ILE H 1 13 ILE MG . . 4.260 3.892 3.878 3.915 . 0 0 "[ . 1 . 2]" 1
98 1 13 ILE HB 1 13 ILE MD . . 3.660 2.352 2.334 2.361 . 0 0 "[ . 1 . 2]" 1
99 1 13 ILE HB 1 14 THR H . . 4.380 4.387 4.339 4.410 0.030 20 0 "[ . 1 . 2]" 1
100 1 13 ILE MD 1 13 ILE MG . . 3.270 1.924 1.917 1.936 . 0 0 "[ . 1 . 2]" 1
101 1 13 ILE MD 1 34 GLU HB2 . . 4.100 2.980 2.635 3.448 . 0 0 "[ . 1 . 2]" 1
102 1 13 ILE MD 1 34 GLU QB . . 3.500 2.923 2.594 3.332 . 0 0 "[ . 1 . 2]" 1
103 1 13 ILE MD 1 34 GLU HB3 . . 4.100 4.240 3.880 4.512 0.412 16 0 "[ . 1 . 2]" 1
104 1 13 ILE MG 1 14 THR H . . 4.350 3.102 2.995 3.172 . 0 0 "[ . 1 . 2]" 1
105 1 13 ILE MG 1 33 LYS QB . . 4.210 3.373 3.102 3.698 . 0 0 "[ . 1 . 2]" 1
106 1 13 ILE MG 1 34 GLU H . . 4.300 4.912 4.537 5.373 1.073 20 14 "[* **. * 1******-**+]" 1
107 1 14 THR H 1 14 THR MG . . 4.260 3.734 3.725 3.743 . 0 0 "[ . 1 . 2]" 1
108 1 14 THR MG 1 15 LEU H . . 3.690 2.924 2.819 3.190 . 0 0 "[ . 1 . 2]" 1
109 1 15 LEU H 1 15 LEU QD . . 4.710 3.791 3.726 3.858 . 0 0 "[ . 1 . 2]" 1
110 1 15 LEU H 1 16 GLU H . . 4.420 4.519 4.494 4.557 0.137 10 0 "[ . 1 . 2]" 1
111 1 15 LEU HB3 1 17 VAL MG1 . . 3.780 3.519 3.260 3.806 0.026 2 0 "[ . 1 . 2]" 1
112 1 15 LEU QD 1 16 GLU H . . 3.550 2.726 2.598 2.844 . 0 0 "[ . 1 . 2]" 1
113 1 15 LEU QD 1 17 VAL H . . 5.030 4.630 4.341 4.766 . 0 0 "[ . 1 . 2]" 1
114 1 15 LEU QD 1 17 VAL MG1 . . 3.560 2.295 2.056 2.476 . 0 0 "[ . 1 . 2]" 1
115 1 15 LEU QD 1 26 VAL HA . . 4.610 2.427 2.191 2.876 . 0 0 "[ . 1 . 2]" 1
116 1 15 LEU QD 1 26 VAL QG . . 3.590 2.067 1.860 2.508 . 0 0 "[ . 1 . 2]" 1
117 1 15 LEU QD 1 29 LYS H . . 3.810 3.508 3.323 3.849 0.039 13 0 "[ . 1 . 2]" 1
118 1 15 LEU QD 1 29 LYS QB . . 3.500 1.808 1.727 1.908 . 0 0 "[ . 1 . 2]" 1
119 1 15 LEU QD 1 30 ILE H . . 5.310 3.289 3.089 3.689 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU QD 1 30 ILE HA . . 4.900 3.231 2.859 3.549 . 0 0 "[ . 1 . 2]" 1
121 1 15 LEU QD 1 33 LYS QB . . 3.650 3.602 3.189 4.000 0.350 3 0 "[ . 1 . 2]" 1
122 1 15 LEU MD1 1 16 GLU H . . 4.310 2.797 2.648 2.943 . 0 0 "[ . 1 . 2]" 1
123 1 15 LEU MD1 1 29 LYS H . . 5.030 4.293 4.123 4.512 . 0 0 "[ . 1 . 2]" 1
124 1 15 LEU MD2 1 16 GLU H . . 4.310 3.781 3.719 3.903 . 0 0 "[ . 1 . 2]" 1
125 1 15 LEU MD2 1 29 LYS H . . 5.030 3.727 3.506 4.272 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLU H 1 16 GLU QB . . 3.450 2.605 2.538 2.643 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLU H 1 17 VAL MG2 . . 5.230 4.705 4.515 4.847 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLU QB 1 17 VAL H . . 4.020 3.950 3.889 4.049 0.029 14 0 "[ . 1 . 2]" 1
129 1 17 VAL H 1 17 VAL MG1 . . 4.550 2.838 2.555 2.957 . 0 0 "[ . 1 . 2]" 1
130 1 17 VAL H 1 17 VAL MG2 . . 4.350 2.040 1.850 2.152 . 0 0 "[ . 1 . 2]" 1
131 1 17 VAL HB 1 18 GLU H . . 4.590 2.500 2.411 2.635 . 0 0 "[ . 1 . 2]" 1
132 1 17 VAL HB 1 21 ASP H . . 3.920 5.097 4.367 5.577 1.657 18 17 "[* -************+**]" 1
133 1 17 VAL HB 1 22 THR H . . 5.040 6.167 5.479 6.606 1.566 18 19 "[**- *************+**]" 1
134 1 17 VAL MG1 1 18 GLU H . . 4.850 3.720 3.635 3.763 . 0 0 "[ . 1 . 2]" 1
135 1 17 VAL MG1 1 26 VAL QG . . 2.950 2.194 1.918 2.549 . 0 0 "[ . 1 . 2]" 1
136 1 17 VAL MG1 1 29 LYS HA . . 5.500 5.055 4.656 5.370 . 0 0 "[ . 1 . 2]" 1
137 1 17 VAL MG1 1 30 ILE H . . 5.500 5.320 4.854 5.880 0.380 3 0 "[ . 1 . 2]" 1
138 1 17 VAL MG1 1 56 LEU QD . . 3.880 3.428 3.227 3.647 . 0 0 "[ . 1 . 2]" 1
139 1 17 VAL MG2 1 18 GLU H . . 4.740 3.511 3.449 3.630 . 0 0 "[ . 1 . 2]" 1
140 1 17 VAL MG2 1 26 VAL H . . 5.500 4.593 4.203 4.962 . 0 0 "[ . 1 . 2]" 1
141 1 17 VAL MG2 1 26 VAL HA . . 4.310 3.839 3.530 4.152 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLU H 1 21 ASP H . . 4.680 4.386 3.883 4.862 0.182 18 0 "[ . 1 . 2]" 1
143 1 18 GLU H 1 21 ASP HB2 . . 4.640 3.098 2.517 3.823 . 0 0 "[ . 1 . 2]" 1
144 1 18 GLU H 1 21 ASP HB3 . . 4.640 4.297 3.611 4.757 0.117 18 0 "[ . 1 . 2]" 1
145 1 18 GLU H 1 56 LEU QD . . 5.250 3.901 3.552 4.263 . 0 0 "[ . 1 . 2]" 1
146 1 18 GLU QB 1 20 SER H . . 3.950 2.777 2.544 3.261 . 0 0 "[ . 1 . 2]" 1
147 1 18 GLU HB2 1 20 SER H . . 4.590 3.724 3.050 4.449 . 0 0 "[ . 1 . 2]" 1
148 1 18 GLU HB3 1 20 SER H . . 4.590 2.875 2.640 3.354 . 0 0 "[ . 1 . 2]" 1
149 1 19 PRO QB 1 20 SER H . . 4.030 2.972 2.445 3.493 . 0 0 "[ . 1 . 2]" 1
150 1 20 SER H 1 21 ASP H . . 4.430 2.458 2.265 2.724 . 0 0 "[ . 1 . 2]" 1
151 1 20 SER H 1 21 ASP HA . . 5.350 4.634 4.475 4.978 . 0 0 "[ . 1 . 2]" 1
152 1 20 SER QB 1 21 ASP H . . 4.290 3.697 3.544 3.792 . 0 0 "[ . 1 . 2]" 1
153 1 21 ASP H 1 21 ASP HB2 . . 4.210 2.233 2.194 2.321 . 0 0 "[ . 1 . 2]" 1
154 1 21 ASP H 1 21 ASP QB . . 3.600 2.208 2.157 2.293 . 0 0 "[ . 1 . 2]" 1
155 1 21 ASP H 1 21 ASP HB3 . . 4.210 3.503 3.045 3.574 . 0 0 "[ . 1 . 2]" 1
156 1 21 ASP H 1 56 LEU QD . . 4.200 3.104 2.773 3.722 . 0 0 "[ . 1 . 2]" 1
157 1 21 ASP QB 1 56 LEU QD . . 4.220 3.271 2.577 3.892 . 0 0 "[ . 1 . 2]" 1
158 1 21 ASP HB2 1 22 THR H . . 4.310 3.689 3.413 4.103 . 0 0 "[ . 1 . 2]" 1
159 1 21 ASP HB3 1 22 THR H . . 4.310 4.117 3.862 4.207 . 0 0 "[ . 1 . 2]" 1
160 1 22 THR H 1 22 THR HB . . 4.030 3.734 3.699 3.768 . 0 0 "[ . 1 . 2]" 1
161 1 22 THR H 1 22 THR MG . . 3.980 3.998 3.974 4.014 0.034 5 0 "[ . 1 . 2]" 1
162 1 22 THR H 1 25 ASN QB . . 4.560 4.266 4.125 4.441 . 0 0 "[ . 1 . 2]" 1
163 1 22 THR H 1 55 THR MG . . 4.100 4.351 4.211 4.698 0.598 15 1 "[ . 1 + 2]" 1
164 1 22 THR HB 1 25 ASN H . . 3.840 3.410 2.930 3.661 . 0 0 "[ . 1 . 2]" 1
165 1 22 THR MG 1 23 ILE H . . 4.190 1.937 1.667 2.083 . 0 0 "[ . 1 . 2]" 1
166 1 23 ILE H 1 23 ILE MG . . 4.370 3.718 3.711 3.730 . 0 0 "[ . 1 . 2]" 1
167 1 23 ILE H 1 52 ASP HA . . 4.190 3.075 2.849 3.471 . 0 0 "[ . 1 . 2]" 1
168 1 23 ILE H 1 54 ARG H . . 4.890 3.688 3.184 3.948 . 0 0 "[ . 1 . 2]" 1
169 1 23 ILE HA 1 26 VAL QG . . 5.010 2.333 2.088 2.520 . 0 0 "[ . 1 . 2]" 1
170 1 23 ILE HB 1 26 VAL QG . . 5.440 4.679 4.461 4.818 . 0 0 "[ . 1 . 2]" 1
171 1 23 ILE HB 1 50 LEU QD . . 5.440 4.993 4.742 5.333 . 0 0 "[ . 1 . 2]" 1
172 1 23 ILE HB 1 54 ARG H . . 4.770 4.596 3.767 4.949 0.179 19 0 "[ . 1 . 2]" 1
173 1 23 ILE MD 1 23 ILE MG . . 3.730 1.914 1.895 1.932 . 0 0 "[ . 1 . 2]" 1
174 1 23 ILE MD 1 26 VAL HB . . 4.270 3.823 3.450 3.950 . 0 0 "[ . 1 . 2]" 1
175 1 23 ILE MD 1 50 LEU HB2 . . 4.020 3.750 3.525 3.950 . 0 0 "[ . 1 . 2]" 1
176 1 23 ILE MD 1 50 LEU HB3 . . 4.120 2.681 2.480 2.954 . 0 0 "[ . 1 . 2]" 1
177 1 23 ILE MD 1 50 LEU QD . . 3.790 2.311 2.009 2.599 . 0 0 "[ . 1 . 2]" 1
178 1 23 ILE MD 1 56 LEU H . . 4.270 4.223 4.082 4.319 0.049 8 0 "[ . 1 . 2]" 1
179 1 23 ILE MD 1 56 LEU HA . . 4.220 2.527 2.366 2.733 . 0 0 "[ . 1 . 2]" 1
180 1 23 ILE MD 1 59 TYR QD . . 4.930 3.613 3.106 4.102 . 0 0 "[ . 1 . 2]" 1
181 1 23 ILE MD 1 59 TYR QE . . 4.660 4.816 4.433 5.271 0.611 9 3 "[- .* +1 . 2]" 1
182 1 23 ILE MG 1 50 LEU HB3 . . 3.510 2.670 2.232 3.024 . 0 0 "[ . 1 . 2]" 1
183 1 23 ILE MG 1 50 LEU QD . . 4.860 3.064 2.599 3.378 . 0 0 "[ . 1 . 2]" 1
184 1 23 ILE MG 1 51 GLU H . . 4.600 3.721 3.344 4.056 . 0 0 "[ . 1 . 2]" 1
185 1 23 ILE MG 1 52 ASP HA . . 4.250 3.764 3.189 4.226 . 0 0 "[ . 1 . 2]" 1
186 1 24 GLU HA 1 27 LYS H . . 4.560 3.463 3.207 3.713 . 0 0 "[ . 1 . 2]" 1
187 1 24 GLU QB 1 25 ASN H . . 3.360 2.801 2.455 2.935 . 0 0 "[ . 1 . 2]" 1
188 1 24 GLU HB2 1 25 ASN H . . 3.860 4.003 3.396 4.099 0.239 6 0 "[ . 1 . 2]" 1
189 1 24 GLU HB3 1 25 ASN H . . 3.860 2.867 2.483 3.211 . 0 0 "[ . 1 . 2]" 1
190 1 25 ASN HA 1 28 ALA MB . . 4.240 2.262 2.103 2.379 . 0 0 "[ . 1 . 2]" 1
191 1 26 VAL H 1 26 VAL QG . . 3.830 1.961 1.888 2.001 . 0 0 "[ . 1 . 2]" 1
192 1 26 VAL H 1 27 LYS H . . 4.610 2.590 2.538 2.649 . 0 0 "[ . 1 . 2]" 1
193 1 26 VAL H 1 28 ALA H . . 4.270 3.904 3.829 3.996 . 0 0 "[ . 1 . 2]" 1
194 1 26 VAL HA 1 29 LYS H . . 4.160 3.716 3.617 4.081 . 0 0 "[ . 1 . 2]" 1
195 1 26 VAL HB 1 27 LYS H . . 4.060 2.845 2.791 3.092 . 0 0 "[ . 1 . 2]" 1
196 1 26 VAL HB 1 50 LEU QD . . 5.440 5.040 4.229 5.450 0.010 4 0 "[ . 1 . 2]" 1
197 1 26 VAL HB 1 56 LEU QD . . 4.420 4.328 4.168 4.460 0.040 3 0 "[ . 1 . 2]" 1
198 1 26 VAL HB 1 67 LEU QD . . 5.440 4.682 4.266 4.941 . 0 0 "[ . 1 . 2]" 1
199 1 26 VAL QG 1 27 LYS H . . 3.740 3.375 3.347 3.483 . 0 0 "[ . 1 . 2]" 1
200 1 26 VAL QG 1 27 LYS QB . . 4.060 4.546 4.507 4.618 0.558 14 5 "[ -* . * 1 +. *2]" 1
201 1 26 VAL QG 1 50 LEU QD . . 3.850 3.731 3.189 4.100 0.250 4 0 "[ . 1 . 2]" 1
202 1 26 VAL QG 1 56 LEU QD . . 3.960 2.121 1.949 2.241 . 0 0 "[ . 1 . 2]" 1
203 1 26 VAL QG 1 67 LEU QD . . 2.820 2.670 2.307 2.862 0.042 3 0 "[ . 1 . 2]" 1
204 1 27 LYS H 1 27 LYS QB . . 3.640 2.379 2.352 2.412 . 0 0 "[ . 1 . 2]" 1
205 1 27 LYS H 1 28 ALA H . . 4.160 2.365 2.220 2.393 . 0 0 "[ . 1 . 2]" 1
206 1 27 LYS QB 1 28 ALA H . . 3.870 2.848 2.794 2.911 . 0 0 "[ . 1 . 2]" 1
207 1 28 ALA HA 1 31 GLN H . . 4.210 3.213 3.112 3.414 . 0 0 "[ . 1 . 2]" 1
208 1 28 ALA MB 1 29 LYS H . . 3.370 2.652 2.613 2.903 . 0 0 "[ . 1 . 2]" 1
209 1 29 LYS H 1 29 LYS QB . . 3.470 2.360 2.277 2.455 . 0 0 "[ . 1 . 2]" 1
210 1 29 LYS H 1 30 ILE H . . 4.090 2.545 2.480 2.652 . 0 0 "[ . 1 . 2]" 1
211 1 29 LYS H 1 30 ILE MG . . 5.500 5.808 5.750 5.884 0.384 14 0 "[ . 1 . 2]" 1
212 1 30 ILE H 1 30 ILE HB . . 3.760 2.379 2.347 2.418 . 0 0 "[ . 1 . 2]" 1
213 1 30 ILE H 1 30 ILE MD . . 4.480 3.589 3.450 3.688 . 0 0 "[ . 1 . 2]" 1
214 1 30 ILE H 1 30 ILE MG . . 4.440 3.743 3.722 3.758 . 0 0 "[ . 1 . 2]" 1
215 1 30 ILE HA 1 30 ILE MD . . 4.040 3.817 3.802 3.829 . 0 0 "[ . 1 . 2]" 1
216 1 30 ILE HA 1 34 GLU H . . 5.080 3.156 2.681 3.345 . 0 0 "[ . 1 . 2]" 1
217 1 30 ILE MD 1 30 ILE MG . . 2.980 1.971 1.908 2.100 . 0 0 "[ . 1 . 2]" 1
218 1 30 ILE MG 1 33 LYS H . . 4.580 4.014 3.761 4.367 . 0 0 "[ . 1 . 2]" 1
219 1 30 ILE MG 1 34 GLU QB . . 3.820 2.169 1.938 2.558 . 0 0 "[ . 1 . 2]" 1
220 1 30 ILE MG 1 36 ILE H . . 4.450 3.807 3.292 4.200 . 0 0 "[ . 1 . 2]" 1
221 1 30 ILE MG 1 36 ILE HB . . 3.840 3.409 2.669 3.985 0.145 16 0 "[ . 1 . 2]" 1
222 1 31 GLN H 1 31 GLN QB . . 3.470 2.223 2.203 2.236 . 0 0 "[ . 1 . 2]" 1
223 1 31 GLN H 1 32 ASP H . . 4.130 2.591 2.525 2.677 . 0 0 "[ . 1 . 2]" 1
224 1 31 GLN HA 1 33 LYS H . . 4.830 4.211 4.096 4.469 . 0 0 "[ . 1 . 2]" 1
225 1 31 GLN HA 1 34 GLU H . . 5.020 4.176 3.946 4.596 . 0 0 "[ . 1 . 2]" 1
226 1 31 GLN HA 1 35 GLY H . . 4.050 3.289 2.927 3.626 . 0 0 "[ . 1 . 2]" 1
227 1 31 GLN HA 1 36 ILE H . . 5.490 3.367 3.002 3.645 . 0 0 "[ . 1 . 2]" 1
228 1 32 ASP H 1 32 ASP QB . . 3.860 2.223 2.204 2.253 . 0 0 "[ . 1 . 2]" 1
229 1 32 ASP H 1 33 LYS H . . 4.490 2.414 2.356 2.463 . 0 0 "[ . 1 . 2]" 1
230 1 32 ASP H 1 34 GLU H . . 5.110 4.469 4.287 4.602 . 0 0 "[ . 1 . 2]" 1
231 1 32 ASP QB 1 33 LYS H . . 4.230 2.884 2.825 2.922 . 0 0 "[ . 1 . 2]" 1
232 1 32 ASP QB 1 35 GLY H . . 5.500 5.240 5.099 5.332 . 0 0 "[ . 1 . 2]" 1
233 1 33 LYS H 1 33 LYS QB . . 3.590 2.268 2.190 2.313 . 0 0 "[ . 1 . 2]" 1
234 1 33 LYS H 1 34 GLU H . . 4.850 2.553 2.403 2.725 . 0 0 "[ . 1 . 2]" 1
235 1 33 LYS H 1 35 GLY H . . 4.560 3.301 3.187 3.484 . 0 0 "[ . 1 . 2]" 1
236 1 33 LYS HB2 1 34 GLU H . . 4.250 3.637 3.478 3.787 . 0 0 "[ . 1 . 2]" 1
237 1 33 LYS HB3 1 34 GLU H . . 4.250 2.245 2.080 2.469 . 0 0 "[ . 1 . 2]" 1
238 1 34 GLU H 1 34 GLU HB2 . . 4.160 2.513 2.457 2.682 . 0 0 "[ . 1 . 2]" 1
239 1 34 GLU H 1 34 GLU HB3 . . 4.160 2.593 2.559 2.635 . 0 0 "[ . 1 . 2]" 1
240 1 34 GLU H 1 35 GLY H . . 4.410 2.304 2.146 2.377 . 0 0 "[ . 1 . 2]" 1
241 1 34 GLU QB 1 35 GLY H . . 4.150 3.116 3.039 3.157 . 0 0 "[ . 1 . 2]" 1
242 1 34 GLU QB 1 36 ILE H . . 4.000 2.488 2.320 2.589 . 0 0 "[ . 1 . 2]" 1
243 1 34 GLU QB 1 36 ILE MD . . 3.640 2.943 2.676 3.208 . 0 0 "[ . 1 . 2]" 1
244 1 34 GLU HB2 1 35 GLY H . . 4.770 4.096 4.051 4.148 . 0 0 "[ . 1 . 2]" 1
245 1 34 GLU HB2 1 36 ILE H . . 4.710 4.189 4.019 4.298 . 0 0 "[ . 1 . 2]" 1
246 1 34 GLU HB3 1 35 GLY H . . 4.770 3.230 3.141 3.283 . 0 0 "[ . 1 . 2]" 1
247 1 34 GLU HB3 1 36 ILE H . . 4.710 2.506 2.335 2.611 . 0 0 "[ . 1 . 2]" 1
248 1 36 ILE H 1 36 ILE HB . . 4.110 2.466 2.425 2.486 . 0 0 "[ . 1 . 2]" 1
249 1 36 ILE H 1 36 ILE MD . . 5.100 3.479 3.427 3.587 . 0 0 "[ . 1 . 2]" 1
250 1 36 ILE HB 1 36 ILE MD . . 3.490 2.333 2.320 2.351 . 0 0 "[ . 1 . 2]" 1
251 1 36 ILE MD 1 41 GLN H . . 5.500 5.847 5.622 6.290 0.790 20 2 "[ . 1 - +]" 1
252 1 36 ILE MD 1 41 GLN QB . . 4.280 3.666 3.408 3.885 . 0 0 "[ . 1 . 2]" 1
253 1 36 ILE MG 1 40 GLN H . . 3.950 4.014 3.762 4.547 0.597 20 1 "[ . 1 . +]" 1
254 1 36 ILE MG 1 41 GLN H . . 4.280 3.724 3.390 4.007 . 0 0 "[ . 1 . 2]" 1
255 1 36 ILE MG 1 72 ARG H . . 4.290 4.046 3.432 4.405 0.115 7 0 "[ . 1 . 2]" 1
256 1 38 PRO QB 1 39 ASP H . . 3.790 2.640 2.585 2.708 . 0 0 "[ . 1 . 2]" 1
257 1 39 ASP H 1 39 ASP QB . . 3.550 3.028 3.003 3.046 . 0 0 "[ . 1 . 2]" 1
258 1 39 ASP H 1 40 GLN H . . 4.430 3.425 3.332 3.577 . 0 0 "[ . 1 . 2]" 1
259 1 39 ASP H 1 41 GLN H . . 4.880 3.235 3.121 3.353 . 0 0 "[ . 1 . 2]" 1
260 1 39 ASP QB 1 40 GLN H . . 4.080 2.584 2.383 2.683 . 0 0 "[ . 1 . 2]" 1
261 1 40 GLN H 1 40 GLN HB2 . . 4.100 2.345 2.331 2.362 . 0 0 "[ . 1 . 2]" 1
262 1 40 GLN H 1 40 GLN QB . . 3.470 2.314 2.302 2.331 . 0 0 "[ . 1 . 2]" 1
263 1 40 GLN H 1 40 GLN HB3 . . 4.100 3.564 3.552 3.575 . 0 0 "[ . 1 . 2]" 1
264 1 40 GLN H 1 41 GLN H . . 4.830 2.513 2.396 2.610 . 0 0 "[ . 1 . 2]" 1
265 1 40 GLN QB 1 41 GLN H . . 3.850 3.086 3.031 3.148 . 0 0 "[ . 1 . 2]" 1
266 1 41 GLN HA 1 71 LEU QD . . 3.820 2.352 2.042 2.666 . 0 0 "[ . 1 . 2]" 1
267 1 42 ARG H 1 43 LEU H . . 4.640 4.310 4.187 4.371 . 0 0 "[ . 1 . 2]" 1
268 1 42 ARG H 1 70 ALA MB . . 4.010 3.339 3.103 3.688 . 0 0 "[ . 1 . 2]" 1
269 1 42 ARG H 1 71 LEU MD1 . . 4.510 3.439 3.170 3.641 . 0 0 "[ . 1 . 2]" 1
270 1 42 ARG H 1 71 LEU QD . . 3.770 3.305 3.060 3.479 . 0 0 "[ . 1 . 2]" 1
271 1 42 ARG H 1 71 LEU MD2 . . 4.510 4.287 4.035 4.688 0.178 3 0 "[ . 1 . 2]" 1
272 1 42 ARG QB 1 43 LEU H . . 4.400 3.113 2.893 3.373 . 0 0 "[ . 1 . 2]" 1
273 1 42 ARG QB 1 70 ALA H . . 4.770 3.572 3.139 3.891 . 0 0 "[ . 1 . 2]" 1
274 1 42 ARG QB 1 70 ALA MB . . 4.720 2.515 2.056 3.003 . 0 0 "[ . 1 . 2]" 1
275 1 43 LEU H 1 43 LEU QB . . 3.630 2.222 2.175 2.292 . 0 0 "[ . 1 . 2]" 1
276 1 43 LEU H 1 43 LEU QD . . 4.090 3.451 3.335 3.547 . 0 0 "[ . 1 . 2]" 1
277 1 43 LEU QB 1 44 ALA H . . 3.690 2.676 2.611 2.728 . 0 0 "[ . 1 . 2]" 1
278 1 43 LEU QD 1 44 ALA H . . 3.830 2.795 2.543 2.988 . 0 0 "[ . 1 . 2]" 1
279 1 43 LEU QD 1 50 LEU QD . . 3.480 2.713 2.274 2.948 . 0 0 "[ . 1 . 2]" 1
280 1 43 LEU QD 1 68 HIS H . . 4.340 3.772 3.456 4.219 . 0 0 "[ . 1 . 2]" 1
281 1 43 LEU QD 1 69 LEU H . . 4.200 4.429 3.898 4.875 0.675 13 3 "[ . 1* + - 2]" 1
282 1 44 ALA H 1 45 PHE H . . 5.090 4.369 4.343 4.383 . 0 0 "[ . 1 . 2]" 1
283 1 44 ALA H 1 50 LEU QD . . 4.630 3.044 2.785 3.448 . 0 0 "[ . 1 . 2]" 1
284 1 44 ALA H 1 68 HIS QB . . 4.780 3.490 3.017 3.906 . 0 0 "[ . 1 . 2]" 1
285 1 44 ALA H 1 69 LEU HA . . 4.170 3.734 3.421 4.115 . 0 0 "[ . 1 . 2]" 1
286 1 44 ALA MB 1 45 PHE H . . 3.820 2.355 2.306 2.413 . 0 0 "[ . 1 . 2]" 1
287 1 44 ALA MB 1 45 PHE HA . . 4.110 3.917 3.889 3.946 . 0 0 "[ . 1 . 2]" 1
288 1 44 ALA MB 1 48 LYS H . . 3.970 3.861 3.732 4.033 0.063 8 0 "[ . 1 . 2]" 1
289 1 44 ALA MB 1 49 GLN HA . . 4.720 3.030 2.346 3.528 . 0 0 "[ . 1 . 2]" 1
290 1 44 ALA MB 1 50 LEU HB2 . . 5.500 4.884 4.525 5.258 . 0 0 "[ . 1 . 2]" 1
291 1 44 ALA MB 1 50 LEU QD . . 4.020 3.887 3.770 4.093 0.073 14 0 "[ . 1 . 2]" 1
292 1 44 ALA MB 1 68 HIS H . . 4.950 3.826 3.518 4.137 . 0 0 "[ . 1 . 2]" 1
293 1 44 ALA MB 1 68 HIS QB . . 4.050 2.251 2.041 2.437 . 0 0 "[ . 1 . 2]" 1
294 1 45 PHE H 1 50 LEU QD . . 4.710 3.401 3.141 3.665 . 0 0 "[ . 1 . 2]" 1
295 1 45 PHE HB2 1 50 LEU QD . . 4.660 2.194 1.947 2.549 . 0 0 "[ . 1 . 2]" 1
296 1 45 PHE HB2 1 61 ILE MD . . 4.900 4.159 3.515 4.695 . 0 0 "[ . 1 . 2]" 1
297 1 45 PHE HB2 1 67 LEU QD . . 3.850 3.750 3.365 4.218 0.368 5 0 "[ . 1 . 2]" 1
298 1 45 PHE QD 1 46 ALA H . . 4.760 3.555 3.417 3.674 . 0 0 "[ . 1 . 2]" 1
299 1 45 PHE QD 1 50 LEU QD . . 5.290 3.170 2.721 3.553 . 0 0 "[ . 1 . 2]" 1
300 1 45 PHE QD 1 61 ILE MD . . 4.680 3.520 2.638 4.293 . 0 0 "[ . 1 . 2]" 1
301 1 45 PHE QD 1 65 SER QB . . 5.190 4.752 4.337 5.094 . 0 0 "[ . 1 . 2]" 1
302 1 45 PHE QD 1 67 LEU QB . . 5.010 4.157 4.035 4.280 . 0 0 "[ . 1 . 2]" 1
303 1 45 PHE QD 1 67 LEU QD . . 4.020 2.591 2.187 3.068 . 0 0 "[ . 1 . 2]" 1
304 1 45 PHE QE 1 46 ALA MB . . 4.690 3.018 2.878 3.169 . 0 0 "[ . 1 . 2]" 1
305 1 45 PHE QE 1 61 ILE MD . . 5.130 4.523 3.648 5.374 0.244 12 0 "[ . 1 . 2]" 1
306 1 45 PHE QE 1 61 ILE MG . . 4.090 4.560 3.677 5.588 1.498 8 8 "[ . + * * *.-***2]" 1
307 1 45 PHE QE 1 65 SER QB . . 5.170 2.769 2.317 3.187 . 0 0 "[ . 1 . 2]" 1
308 1 45 PHE QE 1 66 THR H . . 4.980 4.452 3.751 4.917 . 0 0 "[ . 1 . 2]" 1
309 1 45 PHE QE 1 67 LEU QB . . 5.180 5.084 4.872 5.265 0.085 10 0 "[ . 1 . 2]" 1
310 1 45 PHE QE 1 67 LEU QD . . 4.650 2.527 2.224 2.766 . 0 0 "[ . 1 . 2]" 1
311 1 46 ALA MB 1 48 LYS H . . 4.090 3.327 3.265 3.408 . 0 0 "[ . 1 . 2]" 1
312 1 46 ALA MB 1 48 LYS HA . . 5.500 5.522 5.432 5.656 0.156 9 0 "[ . 1 . 2]" 1
313 1 47 GLY H 1 48 LYS H . . 4.810 2.471 2.428 2.522 . 0 0 "[ . 1 . 2]" 1
314 1 48 LYS H 1 48 LYS QB . . 3.600 2.435 2.423 2.452 . 0 0 "[ . 1 . 2]" 1
315 1 48 LYS QB 1 49 GLN H . . 3.600 3.306 2.951 3.458 . 0 0 "[ . 1 . 2]" 1
316 1 48 LYS QB 1 50 LEU QD . . 4.190 3.239 2.812 3.600 . 0 0 "[ . 1 . 2]" 1
317 1 48 LYS QB 1 59 TYR QE . . 5.130 4.640 3.724 5.756 0.626 18 1 "[ . 1 . + 2]" 1
318 1 49 GLN HA 1 50 LEU H . . 3.450 2.224 2.179 2.257 . 0 0 "[ . 1 . 2]" 1
319 1 49 GLN HA 1 50 LEU MD1 . . 5.000 5.094 4.895 5.309 0.309 1 0 "[ . 1 . 2]" 1
320 1 49 GLN HA 1 50 LEU MD2 . . 5.000 4.319 3.853 4.654 . 0 0 "[ . 1 . 2]" 1
321 1 50 LEU H 1 50 LEU HB2 . . 3.230 2.497 2.406 2.570 . 0 0 "[ . 1 . 2]" 1
322 1 50 LEU H 1 50 LEU HB3 . . 3.910 3.677 3.619 3.723 . 0 0 "[ . 1 . 2]" 1
323 1 50 LEU H 1 50 LEU MD1 . . 4.330 3.838 3.702 3.959 . 0 0 "[ . 1 . 2]" 1
324 1 50 LEU H 1 50 LEU QD . . 3.460 3.226 3.006 3.365 . 0 0 "[ . 1 . 2]" 1
325 1 50 LEU H 1 50 LEU MD2 . . 4.330 3.476 3.152 3.673 . 0 0 "[ . 1 . 2]" 1
326 1 50 LEU HA 1 50 LEU QD . . 3.890 1.963 1.905 2.040 . 0 0 "[ . 1 . 2]" 1
327 1 50 LEU HA 1 51 GLU H . . 3.400 2.346 2.261 2.379 . 0 0 "[ . 1 . 2]" 1
328 1 50 LEU HB3 1 51 GLU H . . 4.880 2.744 2.651 3.079 . 0 0 "[ . 1 . 2]" 1
329 1 50 LEU HB3 1 59 TYR QE . . 5.120 4.782 4.057 5.520 0.400 12 0 "[ . 1 . 2]" 1
330 1 50 LEU QD 1 51 GLU H . . 4.140 3.381 3.263 3.484 . 0 0 "[ . 1 . 2]" 1
331 1 50 LEU QD 1 59 TYR HB2 . . 4.660 4.341 3.830 4.764 0.104 18 0 "[ . 1 . 2]" 1
332 1 50 LEU QD 1 59 TYR QD . . 5.050 3.188 2.542 4.036 . 0 0 "[ . 1 . 2]" 1
333 1 50 LEU QD 1 59 TYR QE . . 4.840 3.395 2.493 4.485 . 0 0 "[ . 1 . 2]" 1
334 1 50 LEU QD 1 61 ILE MD . . 3.660 2.364 1.995 2.622 . 0 0 "[ . 1 . 2]" 1
335 1 51 GLU H 1 51 GLU HB2 . . 3.940 3.217 3.111 3.290 . 0 0 "[ . 1 . 2]" 1
336 1 51 GLU H 1 51 GLU QB . . 3.120 2.656 2.496 2.708 . 0 0 "[ . 1 . 2]" 1
337 1 51 GLU H 1 51 GLU HB3 . . 3.940 2.831 2.628 2.905 . 0 0 "[ . 1 . 2]" 1
338 1 51 GLU H 1 59 TYR HB2 . . 5.500 5.740 5.462 6.096 0.596 20 4 "[ . * *1 - . +]" 1
339 1 51 GLU H 1 59 TYR QE . . 4.060 2.783 2.006 3.569 . 0 0 "[ . 1 . 2]" 1
340 1 51 GLU HA 1 52 ASP H . . 3.430 2.339 2.238 2.393 . 0 0 "[ . 1 . 2]" 1
341 1 52 ASP HA 1 54 ARG H . . 4.480 3.127 3.030 3.257 . 0 0 "[ . 1 . 2]" 1
342 1 54 ARG H 1 59 TYR QE . . 4.660 4.394 3.794 4.920 0.260 4 0 "[ . 1 . 2]" 1
343 1 54 ARG QB 1 59 TYR QE . . 4.990 2.749 2.307 3.059 . 0 0 "[ . 1 . 2]" 1
344 1 55 THR H 1 55 THR MG . . 4.670 3.702 3.685 3.719 . 0 0 "[ . 1 . 2]" 1
345 1 55 THR H 1 58 ASP H . . 4.570 4.911 4.752 5.076 0.506 4 2 "[ - +. 1 . 2]" 1
346 1 55 THR H 1 58 ASP HB2 . . 5.210 5.116 4.762 5.419 0.209 6 0 "[ . 1 . 2]" 1
347 1 55 THR H 1 58 ASP QB . . 4.550 3.807 3.478 4.058 . 0 0 "[ . 1 . 2]" 1
348 1 55 THR H 1 58 ASP HB3 . . 5.210 3.927 3.575 4.192 . 0 0 "[ . 1 . 2]" 1
349 1 55 THR HB 1 57 SER H . . 4.200 4.297 4.151 4.473 0.273 4 0 "[ . 1 . 2]" 1
350 1 55 THR HB 1 58 ASP H . . 4.000 3.011 2.871 3.172 . 0 0 "[ . 1 . 2]" 1
351 1 55 THR MG 1 56 LEU H . . 3.680 2.963 2.678 3.172 . 0 0 "[ . 1 . 2]" 1
352 1 55 THR MG 1 57 SER QB . . 3.990 2.854 2.355 3.430 . 0 0 "[ . 1 . 2]" 1
353 1 55 THR MG 1 58 ASP H . . 4.000 2.292 2.108 2.575 . 0 0 "[ . 1 . 2]" 1
354 1 56 LEU H 1 56 LEU MD1 . . 4.440 3.692 3.625 3.754 . 0 0 "[ . 1 . 2]" 1
355 1 56 LEU H 1 56 LEU QD . . 3.640 2.819 2.777 2.851 . 0 0 "[ . 1 . 2]" 1
356 1 56 LEU H 1 56 LEU MD2 . . 4.440 2.925 2.884 2.965 . 0 0 "[ . 1 . 2]" 1
357 1 56 LEU H 1 57 SER H . . 4.170 2.747 2.653 2.832 . 0 0 "[ . 1 . 2]" 1
358 1 56 LEU HA 1 56 LEU MD1 . . 4.290 3.646 3.629 3.665 . 0 0 "[ . 1 . 2]" 1
359 1 56 LEU HA 1 56 LEU QD . . 3.710 3.393 3.385 3.400 . 0 0 "[ . 1 . 2]" 1
360 1 56 LEU HA 1 56 LEU MD2 . . 4.290 4.042 4.025 4.054 . 0 0 "[ . 1 . 2]" 1
361 1 56 LEU HA 1 59 TYR QD . . 4.630 3.339 3.104 3.559 . 0 0 "[ . 1 . 2]" 1
362 1 56 LEU HA 1 61 ILE MD . . 4.210 3.051 2.874 3.356 . 0 0 "[ . 1 . 2]" 1
363 1 56 LEU HB2 1 61 ILE H . . 4.450 4.281 4.110 4.439 . 0 0 "[ . 1 . 2]" 1
364 1 56 LEU HB2 1 61 ILE MG . . 4.040 4.015 3.805 4.219 0.179 20 0 "[ . 1 . 2]" 1
365 1 56 LEU QD 1 57 SER H . . 4.550 2.574 2.517 2.610 . 0 0 "[ . 1 . 2]" 1
366 1 56 LEU QD 1 61 ILE HB . . 3.940 2.210 2.122 2.325 . 0 0 "[ . 1 . 2]" 1
367 1 56 LEU QD 1 61 ILE MD . . 3.890 2.764 2.600 2.933 . 0 0 "[ . 1 . 2]" 1
368 1 57 SER H 1 58 ASP H . . 3.730 2.543 2.466 2.580 . 0 0 "[ . 1 . 2]" 1
369 1 57 SER H 1 61 ILE MD . . 4.390 4.693 4.455 5.022 0.632 2 2 "[ + - 1 . 2]" 1
370 1 57 SER HA 1 59 TYR H . . 4.580 3.908 3.710 4.009 . 0 0 "[ . 1 . 2]" 1
371 1 57 SER HA 1 61 ILE H . . 4.300 3.792 3.412 3.906 . 0 0 "[ . 1 . 2]" 1
372 1 57 SER QB 1 58 ASP H . . 3.840 3.288 2.965 3.702 . 0 0 "[ . 1 . 2]" 1
373 1 57 SER QB 1 61 ILE MD . . 5.340 5.410 5.183 5.792 0.452 2 0 "[ . 1 . 2]" 1
374 1 58 ASP H 1 58 ASP QB . . 3.450 2.287 2.264 2.312 . 0 0 "[ . 1 . 2]" 1
375 1 58 ASP H 1 59 TYR H . . 3.730 2.189 2.137 2.239 . 0 0 "[ . 1 . 2]" 1
376 1 58 ASP QB 1 59 TYR H . . 4.390 3.119 3.040 3.145 . 0 0 "[ . 1 . 2]" 1
377 1 59 TYR H 1 60 ASN H . . 4.050 2.911 2.835 3.006 . 0 0 "[ . 1 . 2]" 1
378 1 59 TYR H 1 61 ILE MD . . 4.320 4.252 4.085 4.589 0.269 2 0 "[ . 1 . 2]" 1
379 1 59 TYR HA 1 60 ASN H . . 3.400 3.621 3.611 3.633 0.233 6 0 "[ . 1 . 2]" 1
380 1 59 TYR HB2 1 61 ILE MD . . 4.780 3.980 3.739 4.287 . 0 0 "[ . 1 . 2]" 1
381 1 59 TYR HB3 1 61 ILE H . . 3.910 3.145 2.948 3.276 . 0 0 "[ . 1 . 2]" 1
382 1 59 TYR HB3 1 61 ILE MD . . 4.560 3.057 2.787 3.278 . 0 0 "[ . 1 . 2]" 1
383 1 60 ASN H 1 60 ASN QB . . 3.610 2.720 2.672 2.787 . 0 0 "[ . 1 . 2]" 1
384 1 60 ASN H 1 61 ILE H . . 4.690 1.619 1.552 1.647 . 0 0 "[ . 1 . 2]" 1
385 1 61 ILE H 1 61 ILE HB . . 4.190 2.277 2.229 2.316 . 0 0 "[ . 1 . 2]" 1
386 1 61 ILE H 1 61 ILE MD . . 4.240 1.966 1.882 2.132 . 0 0 "[ . 1 . 2]" 1
387 1 61 ILE H 1 61 ILE MG . . 4.460 3.683 3.656 3.699 . 0 0 "[ . 1 . 2]" 1
388 1 61 ILE MD 1 67 LEU QD . . 3.190 2.449 2.061 2.872 . 0 0 "[ . 1 . 2]" 1
389 1 61 ILE MG 1 62 GLN H . . 3.940 2.451 2.372 2.522 . 0 0 "[ . 1 . 2]" 1
390 1 61 ILE MG 1 62 GLN QB . . 4.210 4.234 4.161 4.290 0.080 13 0 "[ . 1 . 2]" 1
391 1 61 ILE MG 1 65 SER H . . 4.220 4.544 4.258 4.760 0.540 2 2 "[ + . 1 . - 2]" 1
392 1 61 ILE MG 1 65 SER QB . . 4.620 4.162 3.898 4.437 . 0 0 "[ . 1 . 2]" 1
393 1 62 GLN QB 1 63 LYS H . . 3.560 2.348 2.299 2.459 . 0 0 "[ . 1 . 2]" 1
394 1 63 LYS H 1 63 LYS QB . . 3.760 2.519 2.488 2.578 . 0 0 "[ . 1 . 2]" 1
395 1 63 LYS QB 1 64 GLU H . . 4.530 3.303 3.244 3.358 . 0 0 "[ . 1 . 2]" 1
396 1 64 GLU H 1 65 SER H . . 4.440 2.970 2.894 3.055 . 0 0 "[ . 1 . 2]" 1
397 1 64 GLU QB 1 65 SER H . . 4.450 3.935 3.917 3.952 . 0 0 "[ . 1 . 2]" 1
398 1 64 GLU HB2 1 65 SER H . . 5.140 4.343 4.300 4.371 . 0 0 "[ . 1 . 2]" 1
399 1 64 GLU HB3 1 65 SER H . . 5.140 4.502 4.476 4.515 . 0 0 "[ . 1 . 2]" 1
400 1 65 SER QB 1 66 THR H . . 4.350 2.714 2.289 3.179 . 0 0 "[ . 1 . 2]" 1
401 1 65 SER QB 1 67 LEU QD . . 4.280 3.107 2.819 3.424 . 0 0 "[ . 1 . 2]" 1
402 1 65 SER HB2 1 66 THR H . . 5.160 3.818 3.589 4.057 . 0 0 "[ . 1 . 2]" 1
403 1 65 SER HB3 1 66 THR H . . 5.160 2.790 2.315 3.322 . 0 0 "[ . 1 . 2]" 1
404 1 66 THR H 1 66 THR MG . . 4.770 3.779 3.729 3.795 . 0 0 "[ . 1 . 2]" 1
405 1 66 THR H 1 67 LEU H . . 5.120 4.539 4.456 4.608 . 0 0 "[ . 1 . 2]" 1
406 1 66 THR H 1 67 LEU QD . . 4.480 3.934 3.795 4.171 . 0 0 "[ . 1 . 2]" 1
407 1 66 THR HA 1 67 LEU QD . . 4.540 3.312 3.124 3.511 . 0 0 "[ . 1 . 2]" 1
408 1 66 THR MG 1 67 LEU H . . 4.320 2.588 2.501 2.865 . 0 0 "[ . 1 . 2]" 1
409 1 67 LEU H 1 67 LEU QD . . 4.220 2.727 2.472 2.918 . 0 0 "[ . 1 . 2]" 1
410 1 67 LEU HA 1 67 LEU QD . . 4.150 2.605 2.468 2.708 . 0 0 "[ . 1 . 2]" 1
411 1 67 LEU QB 1 68 HIS H . . 4.430 2.227 2.184 2.300 . 0 0 "[ . 1 . 2]" 1
412 1 67 LEU QD 1 68 HIS H . . 4.170 3.557 3.466 3.612 . 0 0 "[ . 1 . 2]" 1
413 1 68 HIS HB2 1 69 LEU H . . 4.680 4.317 4.184 4.534 . 0 0 "[ . 1 . 2]" 1
414 1 68 HIS HB3 1 69 LEU H . . 4.680 4.241 4.111 4.395 . 0 0 "[ . 1 . 2]" 1
415 1 70 ALA H 1 71 LEU QD . . 4.110 3.296 3.198 3.378 . 0 0 "[ . 1 . 2]" 1
416 1 70 ALA HA 1 71 LEU H . . 3.560 2.256 2.204 2.287 . 0 0 "[ . 1 . 2]" 1
417 1 70 ALA MB 1 71 LEU H . . 4.010 2.928 2.853 3.111 . 0 0 "[ . 1 . 2]" 1
418 1 70 ALA MB 1 71 LEU QD . . 4.060 3.606 3.576 3.682 . 0 0 "[ . 1 . 2]" 1
419 1 71 LEU H 1 71 LEU QB . . 3.570 2.469 2.364 2.534 . 0 0 "[ . 1 . 2]" 1
420 1 71 LEU H 1 71 LEU MD1 . . 3.640 3.676 3.590 3.869 0.229 2 0 "[ . 1 . 2]" 1
421 1 71 LEU H 1 71 LEU MD2 . . 3.640 2.472 2.252 2.655 . 0 0 "[ . 1 . 2]" 1
422 1 71 LEU HA 1 71 LEU QD . . 3.680 1.890 1.754 1.951 . 0 0 "[ . 1 . 2]" 1
423 1 71 LEU QB 1 72 ARG H . . 3.650 2.172 2.096 2.300 . 0 0 "[ . 1 . 2]" 1
424 1 72 ARG QB 1 73 LEU H . . 3.620 2.343 2.279 2.404 . 0 0 "[ . 1 . 2]" 1
425 1 73 LEU H 1 73 LEU QD . . 3.750 3.141 3.034 3.244 . 0 0 "[ . 1 . 2]" 1
426 1 73 LEU HA 1 73 LEU QD . . 3.360 1.947 1.923 1.978 . 0 0 "[ . 1 . 2]" 1
427 1 73 LEU HA 1 74 ARG H . . 3.320 2.483 2.394 2.532 . 0 0 "[ . 1 . 2]" 1
428 1 73 LEU QB 1 74 ARG H . . 4.240 2.399 2.307 2.559 . 0 0 "[ . 1 . 2]" 1
429 1 73 LEU HB2 1 74 ARG H . . 4.850 3.603 3.517 3.741 . 0 0 "[ . 1 . 2]" 1
430 1 73 LEU HB3 1 74 ARG H . . 4.850 2.435 2.339 2.605 . 0 0 "[ . 1 . 2]" 1
431 1 74 ARG H 1 74 ARG QB . . 3.240 2.261 2.222 2.323 . 0 0 "[ . 1 . 2]" 1
432 1 74 ARG QB 1 75 GLY H . . 3.600 2.745 2.682 2.819 . 0 0 "[ . 1 . 2]" 1
433 1 75 GLY H 1 76 GLY H . . 3.630 2.343 2.130 2.487 . 0 0 "[ . 1 . 2]" 1
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