NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
411718 |
2awt   |
6801 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2awt
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 746
_Distance_constraint_stats_list.Viol_count 822
_Distance_constraint_stats_list.Viol_total 556.077
_Distance_constraint_stats_list.Viol_max 0.981
_Distance_constraint_stats_list.Viol_rms 0.0154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0338
_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 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.004 0.002 17 0 "[ . 1 . 2]"
1 8 GLU 0.004 0.002 17 0 "[ . 1 . 2]"
1 10 VAL 0.006 0.006 3 0 "[ . 1 . 2]"
1 11 LYS 0.006 0.006 3 0 "[ . 1 . 2]"
1 12 THR 0.013 0.013 10 0 "[ . 1 . 2]"
1 13 GLU 0.013 0.013 10 0 "[ . 1 . 2]"
1 14 ASN 0.059 0.059 4 0 "[ . 1 . 2]"
1 15 ASN 0.561 0.113 20 0 "[ . 1 . 2]"
1 16 ASP 0.233 0.168 20 0 "[ . 1 . 2]"
1 17 HIS 0.428 0.391 20 0 "[ . 1 . 2]"
1 18 ILE 2.315 0.144 20 0 "[ . 1 . 2]"
1 19 ASN 2.389 0.120 13 0 "[ . 1 . 2]"
1 20 LEU 0.630 0.080 20 0 "[ . 1 . 2]"
1 21 LYS 1.178 0.083 13 0 "[ . 1 . 2]"
1 22 VAL 0.486 0.083 13 0 "[ . 1 . 2]"
1 23 ALA 0.086 0.027 18 0 "[ . 1 . 2]"
1 24 GLY 0.475 0.056 13 0 "[ . 1 . 2]"
1 25 GLN 0.075 0.036 11 0 "[ . 1 . 2]"
1 26 ASP 0.019 0.006 7 0 "[ . 1 . 2]"
1 27 GLY 0.475 0.056 13 0 "[ . 1 . 2]"
1 28 SER 0.196 0.056 9 0 "[ . 1 . 2]"
1 29 VAL 0.828 0.075 16 0 "[ . 1 . 2]"
1 30 VAL 0.113 0.058 14 0 "[ . 1 . 2]"
1 31 GLN 0.391 0.058 14 0 "[ . 1 . 2]"
1 32 PHE 0.798 0.171 20 0 "[ . 1 . 2]"
1 33 LYS 1.026 0.392 20 0 "[ . 1 . 2]"
1 34 ILE 1.052 0.392 20 0 "[ . 1 . 2]"
1 35 LYS 2.073 0.232 20 0 "[ . 1 . 2]"
1 36 ARG 0.739 0.391 20 0 "[ . 1 . 2]"
1 37 HIS 0.215 0.036 11 0 "[ . 1 . 2]"
1 38 THR 1.717 0.135 15 0 "[ . 1 . 2]"
1 39 PRO 0.304 0.094 19 0 "[ . 1 . 2]"
1 40 LEU 0.873 0.135 15 0 "[ . 1 . 2]"
1 41 SER 0.152 0.125 13 0 "[ . 1 . 2]"
1 42 LYS 1.123 0.150 15 0 "[ . 1 . 2]"
1 43 LEU 1.054 0.150 15 0 "[ . 1 . 2]"
1 44 MET 0.371 0.107 15 0 "[ . 1 . 2]"
1 45 LYS 0.007 0.007 17 0 "[ . 1 . 2]"
1 46 ALA 0.116 0.041 8 0 "[ . 1 . 2]"
1 47 TYR 0.316 0.046 8 0 "[ . 1 . 2]"
1 48 CYS 0.248 0.046 8 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.511 0.192 14 0 "[ . 1 . 2]"
1 51 GLN 0.913 0.192 14 0 "[ . 1 . 2]"
1 52 GLY 0.212 0.040 11 0 "[ . 1 . 2]"
1 53 LEU 0.614 0.069 14 0 "[ . 1 . 2]"
1 54 SER 0.401 0.049 18 0 "[ . 1 . 2]"
1 55 MET 0.483 0.482 18 0 "[ . 1 . 2]"
1 56 ARG 0.554 0.482 18 0 "[ . 1 . 2]"
1 57 GLN 0.395 0.057 13 0 "[ . 1 . 2]"
1 58 ILE 0.350 0.050 18 0 "[ . 1 . 2]"
1 59 ARG 0.112 0.023 7 0 "[ . 1 . 2]"
1 60 PHE 0.417 0.044 8 0 "[ . 1 . 2]"
1 61 ARG 0.793 0.093 7 0 "[ . 1 . 2]"
1 62 PHE 0.451 0.121 7 0 "[ . 1 . 2]"
1 63 ASP 0.091 0.040 17 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 1.312 0.084 7 0 "[ . 1 . 2]"
1 66 PRO 0.154 0.043 7 0 "[ . 1 . 2]"
1 67 ILE 0.816 0.049 5 0 "[ . 1 . 2]"
1 68 ASN 1.234 0.452 19 0 "[ . 1 . 2]"
1 69 GLU 1.420 0.452 19 0 "[ . 1 . 2]"
1 70 THR 1.173 0.348 17 0 "[ . 1 . 2]"
1 71 ASP 0.562 0.208 19 0 "[ . 1 . 2]"
1 72 THR 0.195 0.031 17 0 "[ . 1 . 2]"
1 73 PRO 0.085 0.030 14 0 "[ . 1 . 2]"
1 74 ALA 0.115 0.016 5 0 "[ . 1 . 2]"
1 75 GLN 0.044 0.028 12 0 "[ . 1 . 2]"
1 76 LEU 0.426 0.032 4 0 "[ . 1 . 2]"
1 77 GLU 0.169 0.031 16 0 "[ . 1 . 2]"
1 78 MET 0.235 0.034 4 0 "[ . 1 . 2]"
1 79 GLU 4.191 0.195 18 0 "[ . 1 . 2]"
1 80 ASP 3.270 0.195 18 0 "[ . 1 . 2]"
1 81 GLU 1.442 0.080 4 0 "[ . 1 . 2]"
1 82 ASP 1.171 0.120 13 0 "[ . 1 . 2]"
1 83 THR 0.046 0.011 10 0 "[ . 1 . 2]"
1 84 ILE 0.243 0.044 13 0 "[ . 1 . 2]"
1 85 ASP 0.432 0.044 13 0 "[ . 1 . 2]"
1 86 VAL 0.664 0.093 7 0 "[ . 1 . 2]"
1 87 PHE 1.356 0.981 7 1 "[ . + 1 . 2]"
1 88 GLN 1.459 0.981 7 1 "[ . + 1 . 2]"
1 89 GLN 0.092 0.085 3 0 "[ . 1 . 2]"
1 90 GLN 0.092 0.085 3 0 "[ . 1 . 2]"
1 91 THR 0.025 0.025 19 0 "[ . 1 . 2]"
1 94 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 TYR 0.044 0.025 1 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 GLU HA 1 5 LYS H . . 3.560 2.379 2.155 2.596 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLU QB 1 6 PRO QD . . 3.990 2.399 2.171 2.818 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLU QG 1 5 LYS H . . 4.240 3.735 2.480 4.142 . 0 0 "[ . 1 . 2]" 1
4 1 5 LYS H 1 5 LYS QB . . 3.630 2.797 2.438 3.386 . 0 0 "[ . 1 . 2]" 1
5 1 5 LYS HA 1 6 PRO HD2 . . 3.610 2.096 2.060 2.142 . 0 0 "[ . 1 . 2]" 1
6 1 5 LYS HA 1 6 PRO QD . . 3.140 2.054 2.018 2.098 . 0 0 "[ . 1 . 2]" 1
7 1 5 LYS HA 1 6 PRO HD3 . . 3.610 2.939 2.888 3.002 . 0 0 "[ . 1 . 2]" 1
8 1 5 LYS QB 1 6 PRO QD . . 4.540 3.759 3.669 3.833 . 0 0 "[ . 1 . 2]" 1
9 1 6 PRO HA 1 8 GLU H . . 4.210 4.055 3.503 4.212 0.002 17 0 "[ . 1 . 2]" 1
10 1 6 PRO QB 1 8 GLU H . . 5.290 3.818 2.658 4.974 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLU H 1 8 GLU QB . . 3.870 2.543 2.168 2.956 . 0 0 "[ . 1 . 2]" 1
12 1 10 VAL H 1 11 LYS QD . . 4.690 4.070 3.025 4.696 0.006 3 0 "[ . 1 . 2]" 1
13 1 10 VAL HA 1 11 LYS H . . 3.320 2.341 2.140 2.854 . 0 0 "[ . 1 . 2]" 1
14 1 11 LYS H 1 11 LYS QB . . 3.590 2.859 2.321 3.365 . 0 0 "[ . 1 . 2]" 1
15 1 11 LYS H 1 11 LYS QG . . 4.610 3.148 2.302 4.425 . 0 0 "[ . 1 . 2]" 1
16 1 11 LYS HA 1 12 THR MG . . 4.700 3.762 3.273 4.240 . 0 0 "[ . 1 . 2]" 1
17 1 11 LYS QB 1 12 THR H . . 3.410 2.684 1.938 3.356 . 0 0 "[ . 1 . 2]" 1
18 1 12 THR H 1 12 THR MG . . 4.120 2.960 2.132 3.536 . 0 0 "[ . 1 . 2]" 1
19 1 12 THR HA 1 12 THR MG . . 3.660 2.449 2.001 3.207 . 0 0 "[ . 1 . 2]" 1
20 1 12 THR HA 1 13 GLU H . . 3.500 2.380 2.148 3.513 0.013 10 0 "[ . 1 . 2]" 1
21 1 13 GLU QG 1 14 ASN H . . 5.030 3.435 1.956 4.432 . 0 0 "[ . 1 . 2]" 1
22 1 14 ASN HA 1 14 ASN QD . . 3.380 2.795 2.016 3.439 0.059 4 0 "[ . 1 . 2]" 1
23 1 15 ASN QB 1 16 ASP H . . 4.000 2.021 1.897 2.275 . 0 0 "[ . 1 . 2]" 1
24 1 15 ASN QB 1 35 LYS HA . . 4.720 4.737 4.641 4.833 0.113 20 0 "[ . 1 . 2]" 1
25 1 15 ASN QB 1 35 LYS QB . . 3.220 2.929 2.436 3.246 0.026 9 0 "[ . 1 . 2]" 1
26 1 15 ASN QD 1 35 LYS QB . . 4.280 3.606 2.110 4.329 0.049 9 0 "[ . 1 . 2]" 1
27 1 16 ASP H 1 16 ASP QB . . 3.400 2.529 2.139 2.897 . 0 0 "[ . 1 . 2]" 1
28 1 16 ASP HA 1 17 HIS H . . 3.560 2.471 2.292 2.688 . 0 0 "[ . 1 . 2]" 1
29 1 16 ASP QB 1 18 ILE MD . . 5.500 5.011 4.627 5.322 . 0 0 "[ . 1 . 2]" 1
30 1 16 ASP QB 1 18 ILE MG . . 3.830 3.159 2.886 3.407 . 0 0 "[ . 1 . 2]" 1
31 1 16 ASP QB 1 35 LYS HA . . 3.360 3.112 2.788 3.528 0.168 20 0 "[ . 1 . 2]" 1
32 1 16 ASP QB 1 36 ARG H . . 5.220 2.107 1.852 3.301 . 0 0 "[ . 1 . 2]" 1
33 1 17 HIS H 1 18 ILE H . . 4.760 3.747 3.441 4.118 . 0 0 "[ . 1 . 2]" 1
34 1 17 HIS H 1 35 LYS QB . . 5.340 4.818 4.438 5.344 0.004 2 0 "[ . 1 . 2]" 1
35 1 17 HIS HA 1 18 ILE H . . 3.140 2.181 2.139 2.261 . 0 0 "[ . 1 . 2]" 1
36 1 17 HIS HA 1 18 ILE MG . . 4.780 3.696 3.409 3.871 . 0 0 "[ . 1 . 2]" 1
37 1 17 HIS HA 1 35 LYS HA . . 3.450 2.252 1.898 2.556 . 0 0 "[ . 1 . 2]" 1
38 1 17 HIS HA 1 36 ARG H . . 4.750 4.524 4.012 5.141 0.391 20 0 "[ . 1 . 2]" 1
39 1 17 HIS QB 1 18 ILE H . . 4.020 3.652 3.153 4.006 . 0 0 "[ . 1 . 2]" 1
40 1 17 HIS QB 1 18 ILE HA . . 4.720 4.537 4.296 4.740 0.020 14 0 "[ . 1 . 2]" 1
41 1 17 HIS QB 1 35 LYS HA . . 5.020 3.898 3.418 4.371 . 0 0 "[ . 1 . 2]" 1
42 1 17 HIS HB2 1 18 ILE H . . 4.600 3.973 3.248 4.521 . 0 0 "[ . 1 . 2]" 1
43 1 17 HIS HB3 1 18 ILE H . . 4.600 4.338 3.860 4.490 . 0 0 "[ . 1 . 2]" 1
44 1 18 ILE H 1 18 ILE MD . . 4.990 3.790 3.691 3.990 . 0 0 "[ . 1 . 2]" 1
45 1 18 ILE H 1 18 ILE HG13 . . 3.910 3.357 3.223 3.498 . 0 0 "[ . 1 . 2]" 1
46 1 18 ILE H 1 33 LYS HA . . 5.500 5.015 3.940 5.493 . 0 0 "[ . 1 . 2]" 1
47 1 18 ILE H 1 34 ILE MG . . 4.070 3.773 3.446 4.047 . 0 0 "[ . 1 . 2]" 1
48 1 18 ILE H 1 35 LYS QB . . 5.340 4.926 4.545 5.375 0.035 16 0 "[ . 1 . 2]" 1
49 1 18 ILE H 1 36 ARG H . . 5.480 4.781 3.912 5.518 0.038 20 0 "[ . 1 . 2]" 1
50 1 18 ILE HA 1 18 ILE HG13 . . 4.120 3.656 3.628 3.672 . 0 0 "[ . 1 . 2]" 1
51 1 18 ILE HA 1 18 ILE MG . . 3.400 2.441 2.412 2.467 . 0 0 "[ . 1 . 2]" 1
52 1 18 ILE HA 1 19 ASN H . . 3.100 2.643 2.515 2.704 . 0 0 "[ . 1 . 2]" 1
53 1 18 ILE HA 1 19 ASN HA . . 5.220 4.477 4.427 4.544 . 0 0 "[ . 1 . 2]" 1
54 1 18 ILE HB 1 19 ASN H . . 3.790 2.053 1.961 2.258 . 0 0 "[ . 1 . 2]" 1
55 1 18 ILE HB 1 19 ASN HA . . 4.920 4.609 4.533 4.681 . 0 0 "[ . 1 . 2]" 1
56 1 18 ILE HB 1 80 ASP H . . 4.880 3.271 3.181 3.346 . 0 0 "[ . 1 . 2]" 1
57 1 18 ILE HB 1 81 GLU H . . 5.310 4.706 4.461 4.816 . 0 0 "[ . 1 . 2]" 1
58 1 18 ILE MD 1 18 ILE MG . . 3.610 2.007 1.920 2.099 . 0 0 "[ . 1 . 2]" 1
59 1 18 ILE MD 1 19 ASN H . . 5.040 3.594 3.423 3.843 . 0 0 "[ . 1 . 2]" 1
60 1 18 ILE MD 1 19 ASN QB . . 5.340 5.193 5.113 5.311 . 0 0 "[ . 1 . 2]" 1
61 1 18 ILE MD 1 20 LEU HA . . 4.990 4.990 4.705 5.070 0.080 20 0 "[ . 1 . 2]" 1
62 1 18 ILE MD 1 20 LEU QD . . 3.530 2.257 1.811 3.082 . 0 0 "[ . 1 . 2]" 1
63 1 18 ILE MD 1 35 LYS HA . . 5.110 4.971 4.693 5.254 0.144 20 0 "[ . 1 . 2]" 1
64 1 18 ILE MD 1 36 ARG HA . . 4.780 2.809 2.193 3.404 . 0 0 "[ . 1 . 2]" 1
65 1 18 ILE MD 1 78 MET H . . 4.990 4.442 4.168 4.897 . 0 0 "[ . 1 . 2]" 1
66 1 18 ILE MD 1 78 MET HA . . 5.500 5.386 5.055 5.534 0.034 4 0 "[ . 1 . 2]" 1
67 1 18 ILE MD 1 79 GLU H . . 4.990 4.642 4.260 4.891 . 0 0 "[ . 1 . 2]" 1
68 1 18 ILE MD 1 79 GLU HB3 . . 4.000 3.075 2.896 3.427 . 0 0 "[ . 1 . 2]" 1
69 1 18 ILE MD 1 80 ASP H . . 4.620 4.623 4.492 4.734 0.114 17 0 "[ . 1 . 2]" 1
70 1 18 ILE HG13 1 19 ASN H . . 4.230 2.697 2.525 2.939 . 0 0 "[ . 1 . 2]" 1
71 1 18 ILE HG13 1 19 ASN HA . . 4.240 3.495 3.329 3.619 . 0 0 "[ . 1 . 2]" 1
72 1 18 ILE HG13 1 80 ASP H . . 5.210 5.175 5.063 5.290 0.080 17 0 "[ . 1 . 2]" 1
73 1 18 ILE HG13 1 81 GLU H . . 5.500 5.546 5.526 5.580 0.080 4 0 "[ . 1 . 2]" 1
74 1 18 ILE MG 1 19 ASN HA . . 5.500 5.450 5.411 5.485 . 0 0 "[ . 1 . 2]" 1
75 1 18 ILE MG 1 79 GLU HA . . 4.640 4.108 3.655 4.343 . 0 0 "[ . 1 . 2]" 1
76 1 18 ILE MG 1 79 GLU HB3 . . 4.120 2.688 2.281 2.837 . 0 0 "[ . 1 . 2]" 1
77 1 18 ILE MG 1 80 ASP H . . 4.570 4.225 3.919 4.365 . 0 0 "[ . 1 . 2]" 1
78 1 19 ASN H 1 19 ASN HB2 . . 3.830 2.788 2.656 2.979 . 0 0 "[ . 1 . 2]" 1
79 1 19 ASN H 1 19 ASN QB . . 3.290 2.576 2.486 2.701 . 0 0 "[ . 1 . 2]" 1
80 1 19 ASN H 1 19 ASN HB3 . . 3.830 3.034 2.963 3.093 . 0 0 "[ . 1 . 2]" 1
81 1 19 ASN H 1 19 ASN HD21 . . 4.930 4.835 4.679 4.920 . 0 0 "[ . 1 . 2]" 1
82 1 19 ASN H 1 80 ASP HA . . 4.750 4.492 4.273 4.687 . 0 0 "[ . 1 . 2]" 1
83 1 19 ASN H 1 81 GLU H . . 4.520 3.159 2.904 3.296 . 0 0 "[ . 1 . 2]" 1
84 1 19 ASN H 1 82 ASP H . . 5.300 4.564 4.313 4.753 . 0 0 "[ . 1 . 2]" 1
85 1 19 ASN HA 1 20 LEU H . . 3.000 2.207 2.149 2.262 . 0 0 "[ . 1 . 2]" 1
86 1 19 ASN HA 1 20 LEU QD . . 5.100 4.054 2.683 4.773 . 0 0 "[ . 1 . 2]" 1
87 1 19 ASN QB 1 20 LEU H . . 4.350 3.477 3.343 3.667 . 0 0 "[ . 1 . 2]" 1
88 1 19 ASN QB 1 81 GLU H . . 3.760 1.914 1.890 1.995 . 0 0 "[ . 1 . 2]" 1
89 1 19 ASN QB 1 82 ASP H . . 3.530 3.588 3.529 3.650 0.120 13 0 "[ . 1 . 2]" 1
90 1 19 ASN HB2 1 79 GLU HB3 . . 5.500 5.529 5.470 5.599 0.099 17 0 "[ . 1 . 2]" 1
91 1 19 ASN HB3 1 79 GLU HB3 . . 5.500 5.529 5.484 5.594 0.094 17 0 "[ . 1 . 2]" 1
92 1 19 ASN HD21 1 20 LEU QD . . 5.300 4.877 4.313 5.259 . 0 0 "[ . 1 . 2]" 1
93 1 20 LEU H 1 20 LEU QB . . 3.310 2.697 2.536 2.834 . 0 0 "[ . 1 . 2]" 1
94 1 20 LEU H 1 20 LEU QD . . 4.880 3.447 2.260 3.942 . 0 0 "[ . 1 . 2]" 1
95 1 20 LEU HA 1 21 LYS H . . 3.070 2.298 2.196 2.390 . 0 0 "[ . 1 . 2]" 1
96 1 20 LEU HA 1 81 GLU H . . 5.500 4.765 4.580 4.997 . 0 0 "[ . 1 . 2]" 1
97 1 20 LEU QB 1 32 PHE H . . 4.940 3.823 3.416 4.228 . 0 0 "[ . 1 . 2]" 1
98 1 20 LEU QB 1 32 PHE HB3 . . 4.100 3.894 3.416 4.124 0.024 17 0 "[ . 1 . 2]" 1
99 1 20 LEU QD 1 21 LYS H . . 4.040 3.158 2.017 3.927 . 0 0 "[ . 1 . 2]" 1
100 1 20 LEU QD 1 78 MET H . . 4.790 4.659 4.408 4.818 0.028 17 0 "[ . 1 . 2]" 1
101 1 20 LEU QD 1 78 MET HA . . 5.010 4.362 3.553 4.732 . 0 0 "[ . 1 . 2]" 1
102 1 20 LEU QD 1 79 GLU H . . 4.890 4.661 4.060 4.918 0.028 13 0 "[ . 1 . 2]" 1
103 1 20 LEU QD 1 81 GLU H . . 5.440 4.831 4.235 5.319 . 0 0 "[ . 1 . 2]" 1
104 1 20 LEU MD1 1 21 LYS H . . 5.460 4.161 2.058 4.962 . 0 0 "[ . 1 . 2]" 1
105 1 20 LEU MD2 1 21 LYS H . . 5.460 3.537 2.398 4.927 . 0 0 "[ . 1 . 2]" 1
106 1 21 LYS H 1 21 LYS QB . . 3.450 2.756 2.512 3.306 . 0 0 "[ . 1 . 2]" 1
107 1 21 LYS H 1 21 LYS HD2 . . 5.500 5.058 4.298 5.547 0.047 16 0 "[ . 1 . 2]" 1
108 1 21 LYS H 1 21 LYS QD . . 4.680 4.471 4.104 4.723 0.043 5 0 "[ . 1 . 2]" 1
109 1 21 LYS H 1 21 LYS HD3 . . 5.500 5.129 4.397 5.570 0.070 10 0 "[ . 1 . 2]" 1
110 1 21 LYS H 1 21 LYS QE . . 5.130 4.896 3.901 5.159 0.029 10 0 "[ . 1 . 2]" 1
111 1 21 LYS H 1 21 LYS QG . . 3.490 3.007 2.319 3.519 0.029 2 0 "[ . 1 . 2]" 1
112 1 21 LYS H 1 81 GLU HA . . 5.160 5.165 4.993 5.226 0.066 16 0 "[ . 1 . 2]" 1
113 1 21 LYS H 1 84 ILE H . . 4.830 3.069 3.005 3.207 . 0 0 "[ . 1 . 2]" 1
114 1 21 LYS H 1 84 ILE MD . . 5.500 3.860 1.993 4.689 . 0 0 "[ . 1 . 2]" 1
115 1 21 LYS HA 1 21 LYS QD . . 4.670 3.688 1.980 4.464 . 0 0 "[ . 1 . 2]" 1
116 1 21 LYS HA 1 21 LYS QE . . 4.850 4.242 2.953 4.816 . 0 0 "[ . 1 . 2]" 1
117 1 21 LYS HA 1 21 LYS QG . . 3.570 2.582 2.290 3.339 . 0 0 "[ . 1 . 2]" 1
118 1 21 LYS HA 1 22 VAL H . . 3.110 2.149 2.141 2.174 . 0 0 "[ . 1 . 2]" 1
119 1 21 LYS HA 1 31 GLN HA . . 3.500 2.292 1.990 2.805 . 0 0 "[ . 1 . 2]" 1
120 1 21 LYS QD 1 31 GLN HA . . 4.730 4.009 1.972 4.759 0.029 16 0 "[ . 1 . 2]" 1
121 1 21 LYS QG 1 32 PHE H . . 5.100 3.973 3.362 5.116 0.016 19 0 "[ . 1 . 2]" 1
122 1 21 LYS HG2 1 22 VAL H . . 5.500 4.704 4.333 5.310 . 0 0 "[ . 1 . 2]" 1
123 1 21 LYS HG3 1 22 VAL H . . 5.500 5.226 4.610 5.583 0.083 13 0 "[ . 1 . 2]" 1
124 1 22 VAL H 1 22 VAL HB . . 3.860 2.773 2.477 3.642 . 0 0 "[ . 1 . 2]" 1
125 1 22 VAL H 1 22 VAL QG . . 4.200 2.159 1.861 2.552 . 0 0 "[ . 1 . 2]" 1
126 1 22 VAL H 1 29 VAL QG . . 4.850 4.712 3.620 4.905 0.055 9 0 "[ . 1 . 2]" 1
127 1 22 VAL H 1 30 VAL H . . 3.790 3.267 2.948 3.613 . 0 0 "[ . 1 . 2]" 1
128 1 22 VAL H 1 30 VAL QG . . 4.180 3.849 2.590 4.184 0.004 4 0 "[ . 1 . 2]" 1
129 1 22 VAL H 1 31 GLN HA . . 3.960 3.441 3.146 3.960 . 0 0 "[ . 1 . 2]" 1
130 1 22 VAL H 1 32 PHE QD . . 5.500 5.034 4.178 5.510 0.010 5 0 "[ . 1 . 2]" 1
131 1 22 VAL HA 1 22 VAL MG1 . . 3.450 2.345 2.149 3.181 . 0 0 "[ . 1 . 2]" 1
132 1 22 VAL HA 1 22 VAL MG2 . . 3.450 2.540 2.253 3.181 . 0 0 "[ . 1 . 2]" 1
133 1 22 VAL HA 1 23 ALA H . . 3.140 2.226 2.141 2.310 . 0 0 "[ . 1 . 2]" 1
134 1 22 VAL HA 1 23 ALA HA . . 4.570 4.414 4.385 4.503 . 0 0 "[ . 1 . 2]" 1
135 1 22 VAL HA 1 23 ALA MB . . 4.240 4.129 3.962 4.238 . 0 0 "[ . 1 . 2]" 1
136 1 22 VAL HA 1 83 THR MG . . 4.060 3.979 3.790 4.071 0.011 10 0 "[ . 1 . 2]" 1
137 1 22 VAL HA 1 84 ILE H . . 4.000 3.436 2.816 3.797 . 0 0 "[ . 1 . 2]" 1
138 1 22 VAL HA 1 84 ILE HB . . 4.000 3.248 2.240 3.798 . 0 0 "[ . 1 . 2]" 1
139 1 22 VAL HB 1 30 VAL H . . 5.500 3.749 2.772 5.016 . 0 0 "[ . 1 . 2]" 1
140 1 22 VAL QG 1 23 ALA H . . 4.170 3.282 2.549 3.648 . 0 0 "[ . 1 . 2]" 1
141 1 22 VAL QG 1 23 ALA HA . . 5.440 3.879 3.440 4.248 . 0 0 "[ . 1 . 2]" 1
142 1 22 VAL QG 1 60 PHE QE . . 4.020 1.954 1.753 2.612 . 0 0 "[ . 1 . 2]" 1
143 1 22 VAL QG 1 84 ILE H . . 4.890 4.085 3.499 4.542 . 0 0 "[ . 1 . 2]" 1
144 1 22 VAL QG 1 84 ILE HB . . 4.340 3.187 1.952 3.814 . 0 0 "[ . 1 . 2]" 1
145 1 22 VAL QG 1 85 ASP HA . . 5.440 4.819 3.859 5.395 . 0 0 "[ . 1 . 2]" 1
146 1 22 VAL QG 1 86 VAL H . . 5.440 4.219 3.492 5.445 0.005 7 0 "[ . 1 . 2]" 1
147 1 22 VAL QG 1 86 VAL HB . . 5.240 2.642 1.879 4.575 . 0 0 "[ . 1 . 2]" 1
148 1 22 VAL MG1 1 60 PHE QE . . 4.990 2.531 1.941 3.862 . 0 0 "[ . 1 . 2]" 1
149 1 22 VAL MG2 1 60 PHE QE . . 4.990 2.183 1.890 3.584 . 0 0 "[ . 1 . 2]" 1
150 1 23 ALA H 1 23 ALA MB . . 3.400 2.402 2.074 2.556 . 0 0 "[ . 1 . 2]" 1
151 1 23 ALA H 1 24 GLY H . . 4.970 4.301 4.127 4.455 . 0 0 "[ . 1 . 2]" 1
152 1 23 ALA H 1 30 VAL H . . 5.500 4.395 3.946 4.809 . 0 0 "[ . 1 . 2]" 1
153 1 23 ALA H 1 83 THR MG . . 4.120 2.878 2.388 3.305 . 0 0 "[ . 1 . 2]" 1
154 1 23 ALA H 1 84 ILE HB . . 4.830 4.477 3.773 4.848 0.018 10 0 "[ . 1 . 2]" 1
155 1 23 ALA H 1 85 ASP HA . . 3.870 3.623 3.049 3.897 0.027 18 0 "[ . 1 . 2]" 1
156 1 23 ALA H 1 86 VAL H . . 4.930 4.127 3.401 4.815 . 0 0 "[ . 1 . 2]" 1
157 1 23 ALA HA 1 24 GLY H . . 2.970 2.171 2.146 2.251 . 0 0 "[ . 1 . 2]" 1
158 1 23 ALA HA 1 24 GLY HA3 . . 4.570 4.389 4.356 4.499 . 0 0 "[ . 1 . 2]" 1
159 1 23 ALA HA 1 29 VAL HA . . 4.500 1.983 1.937 2.223 . 0 0 "[ . 1 . 2]" 1
160 1 23 ALA HA 1 30 VAL H . . 4.420 3.292 2.801 3.927 . 0 0 "[ . 1 . 2]" 1
161 1 23 ALA MB 1 24 GLY H . . 3.790 3.191 2.754 3.573 . 0 0 "[ . 1 . 2]" 1
162 1 23 ALA MB 1 24 GLY HA2 . . 5.060 4.346 4.141 4.535 . 0 0 "[ . 1 . 2]" 1
163 1 23 ALA MB 1 83 THR HA . . 5.500 4.601 4.166 4.926 . 0 0 "[ . 1 . 2]" 1
164 1 24 GLY H 1 25 GLN H . . 5.360 4.546 4.145 4.609 . 0 0 "[ . 1 . 2]" 1
165 1 24 GLY H 1 29 VAL HA . . 4.040 3.549 2.306 3.844 . 0 0 "[ . 1 . 2]" 1
166 1 24 GLY H 1 29 VAL QG . . 5.360 4.327 3.580 4.748 . 0 0 "[ . 1 . 2]" 1
167 1 24 GLY HA2 1 25 GLN QB . . 4.810 4.162 4.061 4.444 . 0 0 "[ . 1 . 2]" 1
168 1 24 GLY HA2 1 26 ASP H . . 4.300 3.726 3.404 3.798 . 0 0 "[ . 1 . 2]" 1
169 1 24 GLY HA3 1 26 ASP H . . 4.040 3.183 3.070 3.880 . 0 0 "[ . 1 . 2]" 1
170 1 24 GLY HA3 1 27 GLY H . . 3.650 3.664 3.492 3.706 0.056 13 0 "[ . 1 . 2]" 1
171 1 24 GLY HA3 1 28 SER H . . 4.180 3.226 2.501 3.645 . 0 0 "[ . 1 . 2]" 1
172 1 25 GLN H 1 25 GLN HB2 . . 4.180 2.735 2.185 3.586 . 0 0 "[ . 1 . 2]" 1
173 1 25 GLN H 1 25 GLN QB . . 3.470 2.247 2.128 2.431 . 0 0 "[ . 1 . 2]" 1
174 1 25 GLN H 1 25 GLN HB3 . . 4.180 2.548 2.354 3.565 . 0 0 "[ . 1 . 2]" 1
175 1 25 GLN H 1 25 GLN QG . . 4.250 3.574 2.277 4.036 . 0 0 "[ . 1 . 2]" 1
176 1 25 GLN H 1 26 ASP H . . 4.000 2.665 2.649 2.683 . 0 0 "[ . 1 . 2]" 1
177 1 25 GLN H 1 88 GLN H . . 5.500 5.152 3.618 5.536 0.036 11 0 "[ . 1 . 2]" 1
178 1 25 GLN HA 1 25 GLN QG . . 3.500 2.660 2.133 3.337 . 0 0 "[ . 1 . 2]" 1
179 1 25 GLN QB 1 26 ASP H . . 3.990 3.151 2.732 3.677 . 0 0 "[ . 1 . 2]" 1
180 1 25 GLN HB2 1 26 ASP H . . 4.620 4.086 3.170 4.247 . 0 0 "[ . 1 . 2]" 1
181 1 25 GLN HB3 1 26 ASP H . . 4.620 3.338 2.820 4.055 . 0 0 "[ . 1 . 2]" 1
182 1 25 GLN QG 1 26 ASP H . . 5.140 3.774 2.231 4.652 . 0 0 "[ . 1 . 2]" 1
183 1 26 ASP H 1 27 GLY H . . 3.580 2.857 2.616 2.892 . 0 0 "[ . 1 . 2]" 1
184 1 26 ASP H 1 95 TYR QB . . 4.720 4.556 3.978 4.726 0.006 7 0 "[ . 1 . 2]" 1
185 1 26 ASP HA 1 95 TYR QB . . 4.080 3.821 2.656 4.076 . 0 0 "[ . 1 . 2]" 1
186 1 27 GLY H 1 95 TYR QB . . 4.970 3.643 2.376 4.806 . 0 0 "[ . 1 . 2]" 1
187 1 28 SER H 1 28 SER QB . . 3.510 2.575 2.464 2.974 . 0 0 "[ . 1 . 2]" 1
188 1 28 SER H 1 29 VAL H . . 4.750 4.422 4.301 4.480 . 0 0 "[ . 1 . 2]" 1
189 1 28 SER H 1 95 TYR QB . . 5.210 4.312 3.331 5.201 . 0 0 "[ . 1 . 2]" 1
190 1 28 SER HA 1 29 VAL H . . 2.900 2.300 2.251 2.367 . 0 0 "[ . 1 . 2]" 1
191 1 28 SER HA 1 29 VAL HA . . 5.050 4.499 4.333 4.567 . 0 0 "[ . 1 . 2]" 1
192 1 28 SER QB 1 29 VAL H . . 3.440 3.085 2.614 3.496 0.056 9 0 "[ . 1 . 2]" 1
193 1 28 SER QB 1 30 VAL QG . . 4.830 4.012 3.283 4.847 0.017 3 0 "[ . 1 . 2]" 1
194 1 28 SER HB2 1 29 VAL H . . 4.060 3.860 3.611 4.063 0.003 17 0 "[ . 1 . 2]" 1
195 1 28 SER HB3 1 29 VAL H . . 4.060 3.416 2.651 4.086 0.026 9 0 "[ . 1 . 2]" 1
196 1 29 VAL H 1 29 VAL HB . . 3.600 3.391 2.674 3.675 0.075 16 0 "[ . 1 . 2]" 1
197 1 29 VAL H 1 29 VAL QG . . 3.680 2.522 1.968 3.010 . 0 0 "[ . 1 . 2]" 1
198 1 29 VAL HA 1 29 VAL MG1 . . 3.500 3.019 2.335 3.203 . 0 0 "[ . 1 . 2]" 1
199 1 29 VAL HA 1 29 VAL QG . . 2.990 2.245 2.078 2.343 . 0 0 "[ . 1 . 2]" 1
200 1 29 VAL HA 1 29 VAL MG2 . . 3.500 2.338 2.208 2.412 . 0 0 "[ . 1 . 2]" 1
201 1 29 VAL HA 1 30 VAL H . . 2.940 2.155 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
202 1 29 VAL HA 1 30 VAL HA . . 5.420 4.392 4.377 4.440 . 0 0 "[ . 1 . 2]" 1
203 1 29 VAL HA 1 30 VAL QG . . 4.400 3.598 3.318 3.761 . 0 0 "[ . 1 . 2]" 1
204 1 29 VAL QG 1 30 VAL H . . 3.550 2.723 2.088 3.171 . 0 0 "[ . 1 . 2]" 1
205 1 29 VAL QG 1 30 VAL HA . . 4.660 3.364 3.209 3.588 . 0 0 "[ . 1 . 2]" 1
206 1 29 VAL QG 1 31 GLN QE . . 4.520 3.650 2.287 4.528 0.008 5 0 "[ . 1 . 2]" 1
207 1 29 VAL QG 1 31 GLN QG . . 4.550 3.888 3.059 4.590 0.040 17 0 "[ . 1 . 2]" 1
208 1 30 VAL H 1 30 VAL HB . . 3.990 2.929 2.772 3.444 . 0 0 "[ . 1 . 2]" 1
209 1 30 VAL H 1 30 VAL QG . . 3.700 2.746 2.315 2.963 . 0 0 "[ . 1 . 2]" 1
210 1 30 VAL HA 1 30 VAL MG1 . . 3.400 2.371 2.180 3.203 . 0 0 "[ . 1 . 2]" 1
211 1 30 VAL HA 1 30 VAL QG . . 2.960 2.103 2.034 2.336 . 0 0 "[ . 1 . 2]" 1
212 1 30 VAL HA 1 30 VAL MG2 . . 3.400 2.412 2.262 2.480 . 0 0 "[ . 1 . 2]" 1
213 1 30 VAL HA 1 31 GLN H . . 2.840 2.225 2.143 2.313 . 0 0 "[ . 1 . 2]" 1
214 1 30 VAL HA 1 31 GLN HA . . 4.990 4.393 4.349 4.467 . 0 0 "[ . 1 . 2]" 1
215 1 30 VAL HA 1 31 GLN QB . . 4.800 4.458 4.201 4.577 . 0 0 "[ . 1 . 2]" 1
216 1 30 VAL HA 1 31 GLN QG . . 4.290 3.662 3.345 4.159 . 0 0 "[ . 1 . 2]" 1
217 1 30 VAL HB 1 31 GLN H . . 4.380 3.936 3.608 4.438 0.058 14 0 "[ . 1 . 2]" 1
218 1 30 VAL QG 1 31 GLN H . . 3.500 2.328 1.965 3.060 . 0 0 "[ . 1 . 2]" 1
219 1 30 VAL QG 1 32 PHE H . . 5.090 4.534 4.281 4.776 . 0 0 "[ . 1 . 2]" 1
220 1 30 VAL MG1 1 31 GLN H . . 4.180 2.503 1.970 3.903 . 0 0 "[ . 1 . 2]" 1
221 1 30 VAL MG2 1 31 GLN H . . 4.180 3.833 2.258 4.215 0.035 14 0 "[ . 1 . 2]" 1
222 1 31 GLN H 1 31 GLN HB2 . . 3.830 3.025 2.386 3.837 0.007 9 0 "[ . 1 . 2]" 1
223 1 31 GLN H 1 31 GLN QB . . 3.220 2.706 2.354 3.222 0.002 6 0 "[ . 1 . 2]" 1
224 1 31 GLN H 1 31 GLN HB3 . . 3.830 3.464 2.717 3.765 . 0 0 "[ . 1 . 2]" 1
225 1 31 GLN H 1 31 GLN QG . . 3.840 2.422 1.942 3.174 . 0 0 "[ . 1 . 2]" 1
226 1 31 GLN H 1 32 PHE H . . 5.000 4.507 4.266 4.600 . 0 0 "[ . 1 . 2]" 1
227 1 31 GLN HA 1 31 GLN HG2 . . 4.180 3.181 2.335 3.748 . 0 0 "[ . 1 . 2]" 1
228 1 31 GLN HA 1 31 GLN QG . . 3.480 2.833 2.259 3.401 . 0 0 "[ . 1 . 2]" 1
229 1 31 GLN HA 1 31 GLN HG3 . . 4.180 3.353 2.522 4.214 0.034 6 0 "[ . 1 . 2]" 1
230 1 31 GLN HA 1 32 PHE H . . 2.970 2.234 2.167 2.309 . 0 0 "[ . 1 . 2]" 1
231 1 31 GLN HA 1 32 PHE QD . . 4.570 4.372 3.642 4.609 0.039 2 0 "[ . 1 . 2]" 1
232 1 31 GLN QB 1 32 PHE H . . 3.710 2.841 2.615 3.081 . 0 0 "[ . 1 . 2]" 1
233 1 31 GLN QB 1 32 PHE HA . . 5.320 4.049 3.957 4.242 . 0 0 "[ . 1 . 2]" 1
234 1 31 GLN HB2 1 32 PHE H . . 4.520 3.509 2.671 4.185 . 0 0 "[ . 1 . 2]" 1
235 1 31 GLN HB3 1 32 PHE H . . 4.520 3.305 2.732 4.109 . 0 0 "[ . 1 . 2]" 1
236 1 31 GLN QG 1 32 PHE H . . 4.270 4.114 3.708 4.320 0.050 10 0 "[ . 1 . 2]" 1
237 1 32 PHE H 1 32 PHE HB2 . . 4.000 2.778 2.650 2.812 . 0 0 "[ . 1 . 2]" 1
238 1 32 PHE H 1 32 PHE HB3 . . 3.660 3.565 3.425 3.688 0.028 16 0 "[ . 1 . 2]" 1
239 1 32 PHE H 1 32 PHE QD . . 4.160 4.013 3.558 4.147 . 0 0 "[ . 1 . 2]" 1
240 1 32 PHE H 1 33 LYS H . . 5.350 4.392 4.370 4.428 . 0 0 "[ . 1 . 2]" 1
241 1 32 PHE HA 1 33 LYS H . . 2.430 2.392 2.309 2.487 0.057 14 0 "[ . 1 . 2]" 1
242 1 32 PHE HA 1 33 LYS HA . . 4.580 4.449 4.385 4.515 . 0 0 "[ . 1 . 2]" 1
243 1 32 PHE HA 1 33 LYS QB . . 4.870 4.227 3.897 4.537 . 0 0 "[ . 1 . 2]" 1
244 1 32 PHE HB2 1 33 LYS H . . 4.120 4.009 3.871 4.130 0.010 10 0 "[ . 1 . 2]" 1
245 1 32 PHE HB3 1 33 LYS H . . 4.270 2.719 2.480 2.949 . 0 0 "[ . 1 . 2]" 1
246 1 32 PHE HB3 1 33 LYS HA . . 4.250 4.121 3.968 4.320 0.070 20 0 "[ . 1 . 2]" 1
247 1 32 PHE HB3 1 34 ILE MG . . 5.500 4.935 4.306 5.671 0.171 20 0 "[ . 1 . 2]" 1
248 1 32 PHE QD 1 33 LYS H . . 4.420 2.586 2.252 3.236 . 0 0 "[ . 1 . 2]" 1
249 1 32 PHE QD 1 34 ILE MD . . 4.370 4.226 2.348 4.395 0.025 14 0 "[ . 1 . 2]" 1
250 1 33 LYS H 1 33 LYS QB . . 3.230 2.856 2.516 3.121 . 0 0 "[ . 1 . 2]" 1
251 1 33 LYS H 1 34 ILE MD . . 5.250 5.109 3.177 5.303 0.053 11 0 "[ . 1 . 2]" 1
252 1 33 LYS HA 1 34 ILE H . . 3.110 2.198 2.141 2.286 . 0 0 "[ . 1 . 2]" 1
253 1 33 LYS HA 1 34 ILE HA . . 4.990 4.443 4.391 4.494 . 0 0 "[ . 1 . 2]" 1
254 1 33 LYS HA 1 34 ILE MG . . 4.990 4.196 4.016 5.382 0.392 20 0 "[ . 1 . 2]" 1
255 1 33 LYS QB 1 34 ILE H . . 4.320 3.133 2.721 3.829 . 0 0 "[ . 1 . 2]" 1
256 1 34 ILE H 1 34 ILE MG . . 3.620 2.695 2.548 3.657 0.037 20 0 "[ . 1 . 2]" 1
257 1 34 ILE HA 1 34 ILE HG12 . . 3.770 3.274 2.982 3.609 . 0 0 "[ . 1 . 2]" 1
258 1 34 ILE HA 1 34 ILE QG . . 3.280 2.103 2.039 2.650 . 0 0 "[ . 1 . 2]" 1
259 1 34 ILE HA 1 34 ILE HG13 . . 3.770 2.130 2.061 2.726 . 0 0 "[ . 1 . 2]" 1
260 1 34 ILE HA 1 34 ILE MG . . 3.350 3.134 2.591 3.180 . 0 0 "[ . 1 . 2]" 1
261 1 34 ILE HA 1 35 LYS H . . 3.280 2.414 2.213 2.495 . 0 0 "[ . 1 . 2]" 1
262 1 34 ILE HB 1 35 LYS H . . 4.250 3.918 3.843 4.175 . 0 0 "[ . 1 . 2]" 1
263 1 34 ILE HB 1 38 THR HB . . 5.220 4.809 4.100 5.167 . 0 0 "[ . 1 . 2]" 1
264 1 34 ILE MD 1 38 THR H . . 5.500 5.213 4.819 5.496 . 0 0 "[ . 1 . 2]" 1
265 1 34 ILE MD 1 38 THR HB . . 3.880 3.245 2.897 3.601 . 0 0 "[ . 1 . 2]" 1
266 1 34 ILE QG 1 35 LYS H . . 3.530 2.007 1.877 3.552 0.022 20 0 "[ . 1 . 2]" 1
267 1 34 ILE QG 1 38 THR HB . . 3.470 2.323 1.949 3.498 0.028 16 0 "[ . 1 . 2]" 1
268 1 34 ILE MG 1 35 LYS H . . 3.700 2.853 2.194 3.200 . 0 0 "[ . 1 . 2]" 1
269 1 34 ILE MG 1 35 LYS HA . . 4.380 3.961 3.799 4.146 . 0 0 "[ . 1 . 2]" 1
270 1 34 ILE MG 1 35 LYS QB . . 5.130 4.108 3.322 4.457 . 0 0 "[ . 1 . 2]" 1
271 1 34 ILE MG 1 36 ARG H . . 5.130 4.705 2.753 4.977 . 0 0 "[ . 1 . 2]" 1
272 1 35 LYS H 1 35 LYS QB . . 3.550 2.531 2.345 2.641 . 0 0 "[ . 1 . 2]" 1
273 1 35 LYS H 1 38 THR H . . 5.500 5.524 5.353 5.629 0.129 18 0 "[ . 1 . 2]" 1
274 1 35 LYS H 1 38 THR HB . . 4.420 3.614 3.106 4.480 0.060 9 0 "[ . 1 . 2]" 1
275 1 35 LYS HA 1 36 ARG H . . 3.320 2.665 2.276 3.552 0.232 20 0 "[ . 1 . 2]" 1
276 1 35 LYS QB 1 37 HIS H . . 3.850 2.926 2.282 3.822 . 0 0 "[ . 1 . 2]" 1
277 1 35 LYS HB2 1 36 ARG H . . 3.790 2.553 1.929 3.697 . 0 0 "[ . 1 . 2]" 1
278 1 35 LYS HB3 1 36 ARG H . . 3.790 2.806 1.943 3.591 . 0 0 "[ . 1 . 2]" 1
279 1 36 ARG H 1 36 ARG QB . . 3.680 2.332 2.092 2.706 . 0 0 "[ . 1 . 2]" 1
280 1 36 ARG H 1 36 ARG QD . . 4.790 4.443 3.659 4.823 0.033 13 0 "[ . 1 . 2]" 1
281 1 36 ARG H 1 36 ARG QG . . 4.550 3.448 1.922 4.127 . 0 0 "[ . 1 . 2]" 1
282 1 36 ARG H 1 37 HIS H . . 4.090 2.501 2.119 3.008 . 0 0 "[ . 1 . 2]" 1
283 1 36 ARG H 1 38 THR H . . 5.500 5.063 4.634 5.480 . 0 0 "[ . 1 . 2]" 1
284 1 36 ARG QB 1 36 ARG QD . . 3.050 2.191 1.967 2.418 . 0 0 "[ . 1 . 2]" 1
285 1 36 ARG QD 1 74 ALA MB . . 5.300 2.708 2.033 3.511 . 0 0 "[ . 1 . 2]" 1
286 1 36 ARG QG 1 37 HIS H . . 5.340 3.537 2.624 4.583 . 0 0 "[ . 1 . 2]" 1
287 1 37 HIS H 1 37 HIS HB2 . . 4.040 3.167 2.708 3.816 . 0 0 "[ . 1 . 2]" 1
288 1 37 HIS H 1 37 HIS QB . . 3.450 2.616 2.284 3.175 . 0 0 "[ . 1 . 2]" 1
289 1 37 HIS H 1 37 HIS HB3 . . 4.040 2.793 2.396 3.395 . 0 0 "[ . 1 . 2]" 1
290 1 37 HIS H 1 38 THR H . . 3.940 3.480 2.801 3.967 0.027 11 0 "[ . 1 . 2]" 1
291 1 37 HIS H 1 38 THR HB . . 5.500 4.622 3.849 5.536 0.036 11 0 "[ . 1 . 2]" 1
292 1 37 HIS HA 1 72 THR HB . . 3.890 3.572 3.202 3.874 . 0 0 "[ . 1 . 2]" 1
293 1 37 HIS HA 1 72 THR MG . . 3.770 2.848 2.337 3.784 0.014 14 0 "[ . 1 . 2]" 1
294 1 37 HIS HA 1 74 ALA MB . . 4.200 3.506 2.764 3.933 . 0 0 "[ . 1 . 2]" 1
295 1 37 HIS QB 1 72 THR HB . . 5.230 5.025 2.302 5.261 0.031 17 0 "[ . 1 . 2]" 1
296 1 37 HIS QB 1 72 THR MG . . 4.550 4.090 1.933 4.433 . 0 0 "[ . 1 . 2]" 1
297 1 37 HIS QB 1 74 ALA MB . . 4.780 3.799 1.881 4.252 . 0 0 "[ . 1 . 2]" 1
298 1 37 HIS HB2 1 72 THR MG . . 5.220 4.412 1.945 4.954 . 0 0 "[ . 1 . 2]" 1
299 1 37 HIS HB2 1 74 ALA MB . . 5.500 4.324 3.270 5.499 . 0 0 "[ . 1 . 2]" 1
300 1 37 HIS HB3 1 72 THR MG . . 5.220 4.897 3.327 5.213 . 0 0 "[ . 1 . 2]" 1
301 1 37 HIS HB3 1 74 ALA MB . . 5.500 4.723 1.893 5.514 0.014 16 0 "[ . 1 . 2]" 1
302 1 38 THR H 1 38 THR HB . . 3.240 2.650 2.329 2.845 . 0 0 "[ . 1 . 2]" 1
303 1 38 THR H 1 38 THR MG . . 3.960 3.206 2.249 3.910 . 0 0 "[ . 1 . 2]" 1
304 1 38 THR H 1 72 THR MG . . 4.930 3.233 2.563 4.486 . 0 0 "[ . 1 . 2]" 1
305 1 38 THR HA 1 38 THR MG . . 3.500 2.794 2.434 3.186 . 0 0 "[ . 1 . 2]" 1
306 1 38 THR HA 1 39 PRO HD2 . . 3.300 2.179 2.076 2.330 . 0 0 "[ . 1 . 2]" 1
307 1 38 THR HA 1 39 PRO HD3 . . 3.300 2.260 2.254 2.277 . 0 0 "[ . 1 . 2]" 1
308 1 38 THR MG 1 39 PRO HD2 . . 3.940 2.485 1.889 3.539 . 0 0 "[ . 1 . 2]" 1
309 1 38 THR MG 1 39 PRO QD . . 3.310 2.436 1.878 3.404 0.094 19 0 "[ . 1 . 2]" 1
310 1 38 THR MG 1 40 LEU H . . 4.210 4.117 3.475 4.345 0.135 15 0 "[ . 1 . 2]" 1
311 1 39 PRO HA 1 40 LEU H . . 3.250 2.171 2.151 2.255 . 0 0 "[ . 1 . 2]" 1
312 1 39 PRO HA 1 40 LEU HB2 . . 4.930 4.482 4.301 4.659 . 0 0 "[ . 1 . 2]" 1
313 1 39 PRO HA 1 40 LEU HG . . 4.640 4.340 3.819 4.618 . 0 0 "[ . 1 . 2]" 1
314 1 39 PRO HA 1 41 SER H . . 4.370 3.521 3.326 3.700 . 0 0 "[ . 1 . 2]" 1
315 1 39 PRO QB 1 41 SER H . . 4.180 2.776 2.536 3.105 . 0 0 "[ . 1 . 2]" 1
316 1 40 LEU H 1 40 LEU HB2 . . 3.880 2.462 2.260 2.661 . 0 0 "[ . 1 . 2]" 1
317 1 40 LEU H 1 40 LEU HG . . 4.240 2.437 1.967 2.770 . 0 0 "[ . 1 . 2]" 1
318 1 40 LEU H 1 41 SER H . . 3.910 2.760 2.736 2.781 . 0 0 "[ . 1 . 2]" 1
319 1 40 LEU H 1 72 THR HA . . 4.890 4.592 3.387 4.908 0.018 18 0 "[ . 1 . 2]" 1
320 1 40 LEU HA 1 40 LEU QD . . 3.300 2.363 1.984 3.103 . 0 0 "[ . 1 . 2]" 1
321 1 40 LEU HA 1 40 LEU HG . . 3.500 2.831 2.421 3.276 . 0 0 "[ . 1 . 2]" 1
322 1 40 LEU HA 1 42 LYS H . . 4.470 4.313 3.622 4.545 0.075 3 0 "[ . 1 . 2]" 1
323 1 40 LEU HA 1 43 LEU H . . 4.180 3.366 3.248 3.877 . 0 0 "[ . 1 . 2]" 1
324 1 40 LEU HB2 1 41 SER H . . 4.130 3.009 2.930 3.135 . 0 0 "[ . 1 . 2]" 1
325 1 40 LEU HB2 1 41 SER HA . . 4.760 4.374 4.161 4.604 . 0 0 "[ . 1 . 2]" 1
326 1 40 LEU HB3 1 41 SER H . . 4.720 3.841 3.559 4.057 . 0 0 "[ . 1 . 2]" 1
327 1 40 LEU QD 1 41 SER H . . 4.890 4.131 3.681 4.309 . 0 0 "[ . 1 . 2]" 1
328 1 40 LEU QD 1 71 ASP H . . 4.630 3.469 2.240 4.466 . 0 0 "[ . 1 . 2]" 1
329 1 40 LEU QD 1 72 THR H . . 4.890 4.439 3.886 4.891 0.001 6 0 "[ . 1 . 2]" 1
330 1 40 LEU HG 1 41 SER H . . 4.990 4.647 4.284 4.854 . 0 0 "[ . 1 . 2]" 1
331 1 40 LEU HG 1 72 THR HA . . 4.430 3.567 3.078 4.325 . 0 0 "[ . 1 . 2]" 1
332 1 40 LEU HG 1 72 THR MG . . 4.670 3.943 3.164 4.673 0.003 16 0 "[ . 1 . 2]" 1
333 1 41 SER H 1 42 LYS H . . 3.960 2.950 2.712 3.078 . 0 0 "[ . 1 . 2]" 1
334 1 41 SER H 1 42 LYS QG . . 5.340 4.351 4.040 5.268 . 0 0 "[ . 1 . 2]" 1
335 1 41 SER H 1 43 LEU H . . 5.100 4.158 3.981 5.128 0.028 13 0 "[ . 1 . 2]" 1
336 1 41 SER HA 1 43 LEU H . . 4.740 4.053 3.884 4.865 0.125 13 0 "[ . 1 . 2]" 1
337 1 41 SER HA 1 44 MET QB . . 5.140 3.280 1.992 4.221 . 0 0 "[ . 1 . 2]" 1
338 1 41 SER HA 1 44 MET QG . . 4.990 3.131 1.946 4.890 . 0 0 "[ . 1 . 2]" 1
339 1 42 LYS H 1 42 LYS HB2 . . 3.940 3.442 2.104 3.592 . 0 0 "[ . 1 . 2]" 1
340 1 42 LYS H 1 42 LYS QB . . 3.080 2.348 2.085 2.563 . 0 0 "[ . 1 . 2]" 1
341 1 42 LYS H 1 42 LYS HB3 . . 3.940 2.500 2.246 3.593 . 0 0 "[ . 1 . 2]" 1
342 1 42 LYS H 1 42 LYS HG2 . . 4.150 3.006 2.461 3.459 . 0 0 "[ . 1 . 2]" 1
343 1 42 LYS H 1 42 LYS QG . . 3.500 2.498 2.030 3.149 . 0 0 "[ . 1 . 2]" 1
344 1 42 LYS H 1 42 LYS HG3 . . 4.150 2.930 2.047 3.990 . 0 0 "[ . 1 . 2]" 1
345 1 42 LYS H 1 43 LEU H . . 3.470 2.797 2.751 3.115 . 0 0 "[ . 1 . 2]" 1
346 1 42 LYS H 1 44 MET H . . 5.040 4.619 3.893 5.008 . 0 0 "[ . 1 . 2]" 1
347 1 42 LYS HA 1 42 LYS HG2 . . 4.200 3.865 2.085 4.228 0.028 5 0 "[ . 1 . 2]" 1
348 1 42 LYS HA 1 42 LYS QG . . 3.610 3.259 2.067 3.432 . 0 0 "[ . 1 . 2]" 1
349 1 42 LYS HA 1 42 LYS HG3 . . 4.200 3.582 3.011 3.732 . 0 0 "[ . 1 . 2]" 1
350 1 42 LYS HA 1 46 ALA H . . 4.880 4.107 3.832 4.481 . 0 0 "[ . 1 . 2]" 1
351 1 42 LYS QB 1 42 LYS QE . . 3.170 2.500 1.928 3.241 0.071 15 0 "[ . 1 . 2]" 1
352 1 42 LYS QB 1 43 LEU H . . 3.720 3.404 2.220 3.577 . 0 0 "[ . 1 . 2]" 1
353 1 42 LYS QB 1 43 LEU QD . . 4.750 4.469 2.535 4.774 0.024 14 0 "[ . 1 . 2]" 1
354 1 42 LYS HB2 1 43 LEU H . . 4.310 3.837 2.613 4.126 . 0 0 "[ . 1 . 2]" 1
355 1 42 LYS HB3 1 43 LEU H . . 4.310 3.849 2.384 4.106 . 0 0 "[ . 1 . 2]" 1
356 1 42 LYS QD 1 43 LEU H . . 4.500 3.601 2.563 4.650 0.150 15 0 "[ . 1 . 2]" 1
357 1 42 LYS QD 1 43 LEU QD . . 3.920 3.198 2.189 4.061 0.141 15 0 "[ . 1 . 2]" 1
358 1 42 LYS QG 1 43 LEU H . . 4.030 2.293 1.937 4.162 0.132 13 0 "[ . 1 . 2]" 1
359 1 43 LEU H 1 43 LEU QB . . 3.670 2.203 2.058 2.734 . 0 0 "[ . 1 . 2]" 1
360 1 43 LEU H 1 43 LEU MD1 . . 4.250 3.861 2.548 4.224 . 0 0 "[ . 1 . 2]" 1
361 1 43 LEU H 1 43 LEU QD . . 3.690 3.349 1.899 3.621 . 0 0 "[ . 1 . 2]" 1
362 1 43 LEU H 1 43 LEU MD2 . . 4.250 3.875 1.904 4.250 0.000 9 0 "[ . 1 . 2]" 1
363 1 43 LEU H 1 43 LEU HG . . 4.620 4.460 2.259 4.620 . 0 0 "[ . 1 . 2]" 1
364 1 43 LEU H 1 44 MET H . . 3.320 2.674 2.454 2.941 . 0 0 "[ . 1 . 2]" 1
365 1 43 LEU H 1 44 MET HA . . 5.420 5.247 5.071 5.419 . 0 0 "[ . 1 . 2]" 1
366 1 43 LEU H 1 44 MET QB . . 4.990 4.648 4.178 5.017 0.027 8 0 "[ . 1 . 2]" 1
367 1 43 LEU HA 1 43 LEU MD1 . . 4.370 2.282 1.953 4.053 . 0 0 "[ . 1 . 2]" 1
368 1 43 LEU HA 1 43 LEU QD . . 3.810 2.113 1.947 3.322 . 0 0 "[ . 1 . 2]" 1
369 1 43 LEU HA 1 43 LEU MD2 . . 4.370 3.165 2.055 3.822 . 0 0 "[ . 1 . 2]" 1
370 1 43 LEU HA 1 46 ALA H . . 4.130 3.831 3.638 4.067 . 0 0 "[ . 1 . 2]" 1
371 1 43 LEU HA 1 47 TYR H . . 4.830 4.120 3.826 4.336 . 0 0 "[ . 1 . 2]" 1
372 1 43 LEU QD 1 44 MET H . . 4.440 3.625 3.116 4.117 . 0 0 "[ . 1 . 2]" 1
373 1 43 LEU QD 1 47 TYR H . . 5.440 4.164 3.145 5.193 . 0 0 "[ . 1 . 2]" 1
374 1 43 LEU HG 1 44 MET H . . 5.380 4.191 2.075 4.799 . 0 0 "[ . 1 . 2]" 1
375 1 43 LEU HG 1 44 MET HA . . 5.500 4.828 3.897 5.607 0.107 15 0 "[ . 1 . 2]" 1
376 1 44 MET H 1 44 MET QB . . 3.580 2.389 2.148 2.566 . 0 0 "[ . 1 . 2]" 1
377 1 44 MET HA 1 46 ALA H . . 5.290 4.665 4.483 4.994 . 0 0 "[ . 1 . 2]" 1
378 1 44 MET HA 1 46 ALA MB . . 5.500 5.109 4.860 5.455 . 0 0 "[ . 1 . 2]" 1
379 1 44 MET QB 1 45 LYS H . . 4.960 2.751 1.965 3.470 . 0 0 "[ . 1 . 2]" 1
380 1 44 MET QB 1 47 TYR QD . . 5.500 4.978 4.048 5.514 0.014 13 0 "[ . 1 . 2]" 1
381 1 44 MET ME 1 44 MET QG . . 3.500 2.208 2.045 2.437 . 0 0 "[ . 1 . 2]" 1
382 1 45 LYS H 1 45 LYS HB2 . . 3.670 2.341 2.165 2.602 . 0 0 "[ . 1 . 2]" 1
383 1 45 LYS H 1 45 LYS QB . . 3.050 2.246 2.115 2.462 . 0 0 "[ . 1 . 2]" 1
384 1 45 LYS H 1 45 LYS HB3 . . 3.670 3.069 2.452 3.591 . 0 0 "[ . 1 . 2]" 1
385 1 45 LYS H 1 45 LYS QD . . 4.430 4.059 3.244 4.437 0.007 17 0 "[ . 1 . 2]" 1
386 1 45 LYS H 1 46 ALA H . . 3.500 2.941 2.847 3.092 . 0 0 "[ . 1 . 2]" 1
387 1 45 LYS H 1 46 ALA MB . . 4.640 4.539 4.451 4.605 . 0 0 "[ . 1 . 2]" 1
388 1 45 LYS QB 1 45 LYS QE . . 3.460 2.958 2.081 3.460 . 0 0 "[ . 1 . 2]" 1
389 1 45 LYS QB 1 46 ALA H . . 3.550 2.330 2.083 2.566 . 0 0 "[ . 1 . 2]" 1
390 1 45 LYS QB 1 46 ALA HA . . 4.600 3.911 3.726 4.234 . 0 0 "[ . 1 . 2]" 1
391 1 45 LYS QB 1 47 TYR H . . 5.340 4.599 4.353 4.975 . 0 0 "[ . 1 . 2]" 1
392 1 46 ALA H 1 46 ALA MB . . 2.970 2.174 2.035 2.233 . 0 0 "[ . 1 . 2]" 1
393 1 46 ALA H 1 47 TYR H . . 3.540 2.734 2.607 2.934 . 0 0 "[ . 1 . 2]" 1
394 1 46 ALA H 1 47 TYR HB2 . . 5.500 4.726 4.399 5.300 . 0 0 "[ . 1 . 2]" 1
395 1 46 ALA H 1 47 TYR QB . . 4.720 4.397 4.239 4.569 . 0 0 "[ . 1 . 2]" 1
396 1 46 ALA H 1 47 TYR HB3 . . 5.500 5.322 4.830 5.541 0.041 8 0 "[ . 1 . 2]" 1
397 1 46 ALA H 1 48 CYS H . . 4.960 4.745 4.370 4.990 0.030 12 0 "[ . 1 . 2]" 1
398 1 46 ALA HA 1 49 GLU H . . 4.000 3.552 3.489 3.636 . 0 0 "[ . 1 . 2]" 1
399 1 46 ALA HA 1 49 GLU QB . . 4.640 2.497 2.193 2.896 . 0 0 "[ . 1 . 2]" 1
400 1 46 ALA HA 1 49 GLU QG . . 4.920 4.065 3.141 4.792 . 0 0 "[ . 1 . 2]" 1
401 1 46 ALA MB 1 47 TYR H . . 3.390 2.524 2.272 2.675 . 0 0 "[ . 1 . 2]" 1
402 1 46 ALA MB 1 47 TYR QB . . 4.410 3.929 3.718 4.064 . 0 0 "[ . 1 . 2]" 1
403 1 46 ALA MB 1 47 TYR QD . . 5.450 5.062 4.681 5.247 . 0 0 "[ . 1 . 2]" 1
404 1 46 ALA MB 1 48 CYS H . . 5.140 4.890 4.564 5.092 . 0 0 "[ . 1 . 2]" 1
405 1 46 ALA MB 1 49 GLU H . . 4.960 4.599 4.522 4.664 . 0 0 "[ . 1 . 2]" 1
406 1 47 TYR H 1 47 TYR HB2 . . 3.470 2.213 2.079 2.572 . 0 0 "[ . 1 . 2]" 1
407 1 47 TYR H 1 47 TYR QB . . 3.030 2.133 2.054 2.256 . 0 0 "[ . 1 . 2]" 1
408 1 47 TYR H 1 47 TYR HB3 . . 3.470 2.942 2.496 3.196 . 0 0 "[ . 1 . 2]" 1
409 1 47 TYR H 1 47 TYR QD . . 4.400 4.041 3.913 4.188 . 0 0 "[ . 1 . 2]" 1
410 1 47 TYR H 1 48 CYS H . . 3.580 3.066 2.919 3.195 . 0 0 "[ . 1 . 2]" 1
411 1 47 TYR HA 1 47 TYR QD . . 3.210 2.373 1.968 2.850 . 0 0 "[ . 1 . 2]" 1
412 1 47 TYR HA 1 51 GLN H . . 4.600 4.110 3.721 4.509 . 0 0 "[ . 1 . 2]" 1
413 1 47 TYR QB 1 48 CYS H . . 3.450 2.094 1.903 2.347 . 0 0 "[ . 1 . 2]" 1
414 1 47 TYR QD 1 48 CYS H . . 4.040 3.824 3.426 4.076 0.036 20 0 "[ . 1 . 2]" 1
415 1 47 TYR QD 1 48 CYS HA . . 4.370 4.045 3.354 4.416 0.046 8 0 "[ . 1 . 2]" 1
416 1 47 TYR QD 1 58 ILE MD . . 4.710 4.152 2.393 4.721 0.011 3 0 "[ . 1 . 2]" 1
417 1 47 TYR QE 1 58 ILE MD . . 4.120 3.712 2.363 4.145 0.025 16 0 "[ . 1 . 2]" 1
418 1 48 CYS H 1 48 CYS QB . . 3.230 2.279 2.121 2.517 . 0 0 "[ . 1 . 2]" 1
419 1 48 CYS H 1 49 GLU QB . . 4.990 4.509 4.450 4.578 . 0 0 "[ . 1 . 2]" 1
420 1 48 CYS HA 1 50 ARG H . . 4.960 4.086 3.820 4.847 . 0 0 "[ . 1 . 2]" 1
421 1 48 CYS HA 1 51 GLN H . . 4.770 3.396 2.769 3.967 . 0 0 "[ . 1 . 2]" 1
422 1 48 CYS HA 1 52 GLY H . . 5.060 3.704 3.387 4.385 . 0 0 "[ . 1 . 2]" 1
423 1 48 CYS HA 1 53 LEU H . . 5.400 4.365 3.208 5.151 . 0 0 "[ . 1 . 2]" 1
424 1 48 CYS QB 1 49 GLU H . . 3.610 2.622 2.377 2.855 . 0 0 "[ . 1 . 2]" 1
425 1 48 CYS QB 1 49 GLU HA . . 4.400 4.055 3.795 4.356 . 0 0 "[ . 1 . 2]" 1
426 1 49 GLU H 1 49 GLU QB . . 3.170 2.156 2.087 2.215 . 0 0 "[ . 1 . 2]" 1
427 1 49 GLU H 1 49 GLU QG . . 4.110 3.886 3.099 4.061 . 0 0 "[ . 1 . 2]" 1
428 1 49 GLU H 1 50 ARG H . . 3.700 2.822 2.772 3.057 . 0 0 "[ . 1 . 2]" 1
429 1 50 ARG H 1 50 ARG QD . . 4.930 4.239 3.652 4.600 . 0 0 "[ . 1 . 2]" 1
430 1 50 ARG H 1 50 ARG QG . . 4.120 3.127 1.920 4.046 . 0 0 "[ . 1 . 2]" 1
431 1 50 ARG H 1 51 GLN H . . 3.540 2.434 1.985 3.027 . 0 0 "[ . 1 . 2]" 1
432 1 50 ARG HA 1 50 ARG QG . . 3.560 2.931 2.172 3.405 . 0 0 "[ . 1 . 2]" 1
433 1 50 ARG QB 1 50 ARG QD . . 3.290 2.277 1.949 2.871 . 0 0 "[ . 1 . 2]" 1
434 1 50 ARG QB 1 51 GLN H . . 3.800 2.802 1.929 3.803 0.003 3 0 "[ . 1 . 2]" 1
435 1 50 ARG QD 1 51 GLN H . . 4.820 3.707 2.608 4.507 . 0 0 "[ . 1 . 2]" 1
436 1 50 ARG QD 1 51 GLN HA . . 4.930 4.372 3.322 5.122 0.192 14 0 "[ . 1 . 2]" 1
437 1 50 ARG QD 1 51 GLN QB . . 4.320 3.476 1.908 4.328 0.008 20 0 "[ . 1 . 2]" 1
438 1 50 ARG HD2 1 51 GLN H . . 5.500 4.135 3.039 5.297 . 0 0 "[ . 1 . 2]" 1
439 1 50 ARG HD2 1 51 GLN QB . . 5.140 3.878 2.050 5.180 0.040 15 0 "[ . 1 . 2]" 1
440 1 50 ARG HD3 1 51 GLN H . . 5.500 4.331 2.840 4.998 . 0 0 "[ . 1 . 2]" 1
441 1 50 ARG HD3 1 51 GLN QB . . 5.140 4.160 2.273 5.159 0.019 11 0 "[ . 1 . 2]" 1
442 1 50 ARG QG 1 51 GLN H . . 4.500 2.889 1.931 4.094 . 0 0 "[ . 1 . 2]" 1
443 1 51 GLN H 1 53 LEU QD . . 5.310 5.100 4.499 5.331 0.021 18 0 "[ . 1 . 2]" 1
444 1 51 GLN HA 1 53 LEU QD . . 4.540 3.430 2.632 4.161 . 0 0 "[ . 1 . 2]" 1
445 1 51 GLN HA 1 53 LEU HG . . 3.890 3.531 2.849 3.896 0.006 20 0 "[ . 1 . 2]" 1
446 1 51 GLN QB 1 52 GLY H . . 4.620 3.906 3.844 4.048 . 0 0 "[ . 1 . 2]" 1
447 1 51 GLN QB 1 53 LEU H . . 3.730 3.691 3.393 3.799 0.069 14 0 "[ . 1 . 2]" 1
448 1 51 GLN QB 1 53 LEU HG . . 3.410 2.983 2.400 3.448 0.038 14 0 "[ . 1 . 2]" 1
449 1 52 GLY H 1 53 LEU H . . 3.760 3.743 3.560 3.800 0.040 11 0 "[ . 1 . 2]" 1
450 1 52 GLY H 1 53 LEU QD . . 5.050 3.943 3.038 4.792 . 0 0 "[ . 1 . 2]" 1
451 1 52 GLY H 1 53 LEU HG . . 4.490 4.184 3.585 4.501 0.011 13 0 "[ . 1 . 2]" 1
452 1 53 LEU H 1 53 LEU QD . . 3.720 2.651 1.920 3.216 . 0 0 "[ . 1 . 2]" 1
453 1 53 LEU H 1 53 LEU HG . . 3.280 2.247 1.941 2.649 . 0 0 "[ . 1 . 2]" 1
454 1 53 LEU QD 1 54 SER H . . 4.370 3.454 1.925 4.272 . 0 0 "[ . 1 . 2]" 1
455 1 54 SER H 1 54 SER HB2 . . 3.890 3.352 2.641 3.922 0.032 8 0 "[ . 1 . 2]" 1
456 1 54 SER H 1 54 SER QB . . 3.410 3.014 2.587 3.359 . 0 0 "[ . 1 . 2]" 1
457 1 54 SER H 1 54 SER HB3 . . 3.890 3.649 3.083 3.913 0.023 15 0 "[ . 1 . 2]" 1
458 1 54 SER H 1 57 GLN H . . 5.500 5.280 4.830 5.522 0.022 1 0 "[ . 1 . 2]" 1
459 1 54 SER HA 1 55 MET H . . 3.050 2.306 2.143 2.595 . 0 0 "[ . 1 . 2]" 1
460 1 54 SER HA 1 55 MET HA . . 4.920 4.509 4.383 4.664 . 0 0 "[ . 1 . 2]" 1
461 1 54 SER HA 1 55 MET QB . . 5.290 4.510 4.132 4.706 . 0 0 "[ . 1 . 2]" 1
462 1 54 SER HA 1 56 ARG H . . 3.570 3.305 2.968 3.572 0.002 10 0 "[ . 1 . 2]" 1
463 1 54 SER HA 1 57 GLN H . . 4.310 4.047 3.353 4.328 0.018 15 0 "[ . 1 . 2]" 1
464 1 54 SER HA 1 57 GLN HB2 . . 4.840 4.245 2.891 4.771 . 0 0 "[ . 1 . 2]" 1
465 1 54 SER QB 1 55 MET H . . 4.080 3.701 2.070 4.037 . 0 0 "[ . 1 . 2]" 1
466 1 54 SER QB 1 56 ARG H . . 4.940 3.684 2.761 4.465 . 0 0 "[ . 1 . 2]" 1
467 1 54 SER QB 1 57 GLN H . . 4.810 3.006 2.235 4.859 0.049 18 0 "[ . 1 . 2]" 1
468 1 54 SER HB2 1 55 MET H . . 4.670 4.258 2.083 4.643 . 0 0 "[ . 1 . 2]" 1
469 1 54 SER HB3 1 55 MET H . . 4.670 4.199 3.138 4.582 . 0 0 "[ . 1 . 2]" 1
470 1 55 MET H 1 55 MET QG . . 4.500 2.638 1.937 4.205 . 0 0 "[ . 1 . 2]" 1
471 1 55 MET H 1 56 ARG H . . 3.870 2.503 2.107 2.720 . 0 0 "[ . 1 . 2]" 1
472 1 55 MET HA 1 55 MET QG . . 3.500 3.001 2.319 3.412 . 0 0 "[ . 1 . 2]" 1
473 1 55 MET HA 1 57 GLN H . . 4.630 3.819 3.457 4.630 . 0 0 "[ . 1 . 2]" 1
474 1 55 MET QG 1 56 ARG H . . 3.850 3.100 2.210 4.332 0.482 18 0 "[ . 1 . 2]" 1
475 1 56 ARG H 1 56 ARG QB . . 3.730 2.470 2.237 2.808 . 0 0 "[ . 1 . 2]" 1
476 1 56 ARG H 1 56 ARG HE . . 5.500 4.566 2.474 5.541 0.041 18 0 "[ . 1 . 2]" 1
477 1 56 ARG H 1 57 GLN H . . 4.180 2.397 1.873 2.627 . 0 0 "[ . 1 . 2]" 1
478 1 56 ARG H 1 57 GLN HB2 . . 4.480 4.178 3.555 4.489 0.009 2 0 "[ . 1 . 2]" 1
479 1 56 ARG H 1 58 ILE H . . 5.500 4.110 3.123 4.634 . 0 0 "[ . 1 . 2]" 1
480 1 57 GLN H 1 57 GLN HB3 . . 3.880 3.247 2.675 3.777 . 0 0 "[ . 1 . 2]" 1
481 1 57 GLN H 1 57 GLN QG . . 4.180 3.794 3.055 4.237 0.057 13 0 "[ . 1 . 2]" 1
482 1 57 GLN H 1 58 ILE H . . 3.280 2.151 1.894 2.565 . 0 0 "[ . 1 . 2]" 1
483 1 57 GLN H 1 58 ILE HB . . 5.300 4.252 4.015 4.633 . 0 0 "[ . 1 . 2]" 1
484 1 57 GLN H 1 58 ILE MD . . 5.310 4.611 3.721 5.221 . 0 0 "[ . 1 . 2]" 1
485 1 57 GLN H 1 58 ILE QG . . 4.520 3.474 2.738 4.245 . 0 0 "[ . 1 . 2]" 1
486 1 57 GLN HB3 1 58 ILE H . . 4.090 3.364 2.455 4.107 0.017 13 0 "[ . 1 . 2]" 1
487 1 57 GLN HB3 1 58 ILE HA . . 4.640 4.221 3.922 4.599 . 0 0 "[ . 1 . 2]" 1
488 1 58 ILE H 1 58 ILE HB . . 3.740 2.565 2.368 2.728 . 0 0 "[ . 1 . 2]" 1
489 1 58 ILE H 1 58 ILE MD . . 3.740 3.440 3.167 3.761 0.021 11 0 "[ . 1 . 2]" 1
490 1 58 ILE H 1 58 ILE QG . . 3.280 2.220 1.946 2.929 . 0 0 "[ . 1 . 2]" 1
491 1 58 ILE H 1 59 ARG H . . 4.750 4.453 4.127 4.630 . 0 0 "[ . 1 . 2]" 1
492 1 58 ILE HA 1 58 ILE MD . . 3.820 2.562 1.960 3.870 0.050 18 0 "[ . 1 . 2]" 1
493 1 58 ILE HA 1 58 ILE MG . . 3.620 2.335 2.216 2.479 . 0 0 "[ . 1 . 2]" 1
494 1 58 ILE HA 1 59 ARG H . . 3.100 2.155 2.140 2.259 . 0 0 "[ . 1 . 2]" 1
495 1 58 ILE HB 1 59 ARG H . . 4.310 4.232 3.812 4.333 0.023 7 0 "[ . 1 . 2]" 1
496 1 58 ILE MD 1 87 PHE H . . 5.500 4.819 3.993 5.514 0.014 15 0 "[ . 1 . 2]" 1
497 1 58 ILE MD 1 88 GLN H . . 5.360 4.960 4.103 5.383 0.023 20 0 "[ . 1 . 2]" 1
498 1 58 ILE MD 1 88 GLN QB . . 4.220 3.040 1.949 4.222 0.002 5 0 "[ . 1 . 2]" 1
499 1 58 ILE MG 1 59 ARG H . . 3.960 2.621 1.917 3.020 . 0 0 "[ . 1 . 2]" 1
500 1 58 ILE MG 1 60 PHE HA . . 5.500 4.873 4.133 5.498 . 0 0 "[ . 1 . 2]" 1
501 1 59 ARG HA 1 60 PHE QD . . 4.310 4.168 3.032 4.322 0.012 16 0 "[ . 1 . 2]" 1
502 1 60 PHE HA 1 60 PHE QD . . 4.000 2.683 2.436 3.117 . 0 0 "[ . 1 . 2]" 1
503 1 60 PHE HA 1 61 ARG H . . 3.170 2.156 2.139 2.249 . 0 0 "[ . 1 . 2]" 1
504 1 60 PHE HA 1 67 ILE MD . . 5.500 4.323 3.593 5.528 0.028 5 0 "[ . 1 . 2]" 1
505 1 60 PHE QB 1 61 ARG H . . 3.720 3.242 2.799 3.429 . 0 0 "[ . 1 . 2]" 1
506 1 60 PHE QB 1 67 ILE H . . 4.940 4.905 4.475 4.977 0.037 3 0 "[ . 1 . 2]" 1
507 1 60 PHE QB 1 84 ILE MG . . 3.770 2.546 1.966 2.899 . 0 0 "[ . 1 . 2]" 1
508 1 60 PHE HB2 1 61 ARG H . . 4.420 4.340 4.023 4.464 0.044 8 0 "[ . 1 . 2]" 1
509 1 60 PHE HB3 1 61 ARG H . . 4.420 3.348 2.856 3.563 . 0 0 "[ . 1 . 2]" 1
510 1 60 PHE QD 1 61 ARG H . . 4.470 3.625 3.090 4.108 . 0 0 "[ . 1 . 2]" 1
511 1 60 PHE QD 1 85 ASP H . . 5.500 5.479 5.257 5.519 0.019 7 0 "[ . 1 . 2]" 1
512 1 60 PHE QE 1 86 VAL HB . . 5.220 4.678 3.349 5.223 0.003 20 0 "[ . 1 . 2]" 1
513 1 61 ARG H 1 61 ARG QG . . 5.020 3.655 2.172 4.342 . 0 0 "[ . 1 . 2]" 1
514 1 61 ARG H 1 62 PHE H . . 4.630 4.267 4.144 4.399 . 0 0 "[ . 1 . 2]" 1
515 1 61 ARG H 1 67 ILE MD . . 5.250 3.796 2.935 4.883 . 0 0 "[ . 1 . 2]" 1
516 1 61 ARG H 1 67 ILE QG . . 5.500 4.533 3.521 5.162 . 0 0 "[ . 1 . 2]" 1
517 1 61 ARG H 1 84 ILE MG . . 3.960 2.423 1.997 2.981 . 0 0 "[ . 1 . 2]" 1
518 1 61 ARG H 1 85 ASP H . . 4.390 4.172 3.494 4.394 0.004 18 0 "[ . 1 . 2]" 1
519 1 61 ARG H 1 86 VAL HA . . 4.230 3.316 2.849 4.085 . 0 0 "[ . 1 . 2]" 1
520 1 61 ARG H 1 86 VAL HB . . 5.250 5.278 5.211 5.343 0.093 7 0 "[ . 1 . 2]" 1
521 1 61 ARG HA 1 61 ARG HD2 . . 5.030 3.925 2.017 4.698 . 0 0 "[ . 1 . 2]" 1
522 1 61 ARG HA 1 61 ARG QD . . 4.380 3.364 1.997 4.167 . 0 0 "[ . 1 . 2]" 1
523 1 61 ARG HA 1 61 ARG HD3 . . 5.030 3.867 2.092 4.997 . 0 0 "[ . 1 . 2]" 1
524 1 61 ARG HA 1 61 ARG QG . . 3.530 2.511 2.135 3.425 . 0 0 "[ . 1 . 2]" 1
525 1 61 ARG HA 1 62 PHE H . . 3.110 2.198 2.148 2.450 . 0 0 "[ . 1 . 2]" 1
526 1 61 ARG HA 1 66 PRO HA . . 3.660 3.249 2.837 3.675 0.015 20 0 "[ . 1 . 2]" 1
527 1 61 ARG HA 1 67 ILE H . . 4.250 3.658 2.637 4.174 . 0 0 "[ . 1 . 2]" 1
528 1 61 ARG HA 1 67 ILE QG . . 3.770 2.527 1.952 3.125 . 0 0 "[ . 1 . 2]" 1
529 1 61 ARG QB 1 62 PHE H . . 3.620 3.286 2.328 3.639 0.019 3 0 "[ . 1 . 2]" 1
530 1 61 ARG QD 1 67 ILE H . . 5.340 4.475 2.436 5.389 0.049 5 0 "[ . 1 . 2]" 1
531 1 62 PHE H 1 62 PHE HB2 . . 4.040 2.961 2.599 3.733 . 0 0 "[ . 1 . 2]" 1
532 1 62 PHE H 1 62 PHE QB . . 3.170 2.523 2.358 3.139 . 0 0 "[ . 1 . 2]" 1
533 1 62 PHE H 1 62 PHE HB3 . . 4.040 2.745 2.546 3.376 . 0 0 "[ . 1 . 2]" 1
534 1 62 PHE H 1 62 PHE QD . . 4.570 4.043 2.508 4.341 . 0 0 "[ . 1 . 2]" 1
535 1 62 PHE H 1 63 ASP H . . 5.290 4.516 4.413 4.573 . 0 0 "[ . 1 . 2]" 1
536 1 62 PHE H 1 65 GLN H . . 4.450 3.683 3.259 3.873 . 0 0 "[ . 1 . 2]" 1
537 1 62 PHE H 1 67 ILE MD . . 4.320 3.139 2.313 3.849 . 0 0 "[ . 1 . 2]" 1
538 1 62 PHE HA 1 62 PHE QD . . 3.560 2.602 2.264 3.681 0.121 7 0 "[ . 1 . 2]" 1
539 1 62 PHE HA 1 63 ASP HA . . 4.640 4.317 4.313 4.321 . 0 0 "[ . 1 . 2]" 1
540 1 62 PHE HA 1 67 ILE MD . . 5.500 4.322 3.550 5.118 . 0 0 "[ . 1 . 2]" 1
541 1 62 PHE HA 1 84 ILE HA . . 4.570 3.290 2.768 4.028 . 0 0 "[ . 1 . 2]" 1
542 1 62 PHE HA 1 84 ILE MG . . 4.320 3.031 2.499 3.835 . 0 0 "[ . 1 . 2]" 1
543 1 62 PHE HA 1 85 ASP H . . 4.130 2.869 2.461 3.397 . 0 0 "[ . 1 . 2]" 1
544 1 62 PHE QD 1 63 ASP H . . 4.130 2.981 2.550 3.555 . 0 0 "[ . 1 . 2]" 1
545 1 62 PHE QD 1 63 ASP HA . . 4.850 4.745 4.353 4.890 0.040 17 0 "[ . 1 . 2]" 1
546 1 62 PHE QD 1 85 ASP H . . 5.250 3.759 2.941 5.265 0.015 7 0 "[ . 1 . 2]" 1
547 1 63 ASP H 1 64 GLY H . . 3.870 3.610 3.551 3.707 . 0 0 "[ . 1 . 2]" 1
548 1 63 ASP H 1 65 GLN H . . 5.040 4.774 4.670 4.929 . 0 0 "[ . 1 . 2]" 1
549 1 63 ASP HA 1 64 GLY H . . 3.560 2.563 2.504 2.601 . 0 0 "[ . 1 . 2]" 1
550 1 64 GLY H 1 65 GLN H . . 3.830 1.907 1.859 2.023 . 0 0 "[ . 1 . 2]" 1
551 1 65 GLN H 1 65 GLN HB2 . . 3.940 3.562 2.841 4.024 0.084 7 0 "[ . 1 . 2]" 1
552 1 65 GLN H 1 65 GLN QB . . 3.380 3.190 2.765 3.436 0.056 16 0 "[ . 1 . 2]" 1
553 1 65 GLN H 1 65 GLN HB3 . . 3.940 3.756 3.693 3.796 . 0 0 "[ . 1 . 2]" 1
554 1 65 GLN H 1 65 GLN QG . . 3.830 3.149 2.626 3.901 0.071 14 0 "[ . 1 . 2]" 1
555 1 65 GLN HA 1 65 GLN QG . . 3.600 2.888 2.084 3.415 . 0 0 "[ . 1 . 2]" 1
556 1 65 GLN HA 1 66 PRO QD . . 3.170 2.138 2.095 2.160 . 0 0 "[ . 1 . 2]" 1
557 1 65 GLN HA 1 66 PRO QG . . 4.550 4.054 4.007 4.077 . 0 0 "[ . 1 . 2]" 1
558 1 65 GLN QB 1 66 PRO QD . . 3.340 1.994 1.918 2.122 . 0 0 "[ . 1 . 2]" 1
559 1 66 PRO HA 1 67 ILE H . . 3.070 2.432 2.191 2.604 . 0 0 "[ . 1 . 2]" 1
560 1 66 PRO QB 1 67 ILE H . . 3.940 2.484 2.116 3.104 . 0 0 "[ . 1 . 2]" 1
561 1 66 PRO QB 1 67 ILE HB . . 5.140 5.004 4.753 5.172 0.032 14 0 "[ . 1 . 2]" 1
562 1 66 PRO QB 1 68 ASN HA . . 5.500 5.325 5.060 5.529 0.029 3 0 "[ . 1 . 2]" 1
563 1 66 PRO QG 1 67 ILE H . . 4.510 4.114 3.815 4.553 0.043 7 0 "[ . 1 . 2]" 1
564 1 67 ILE H 1 67 ILE HB . . 3.580 2.849 2.549 2.922 . 0 0 "[ . 1 . 2]" 1
565 1 67 ILE H 1 67 ILE MD . . 4.470 4.012 2.774 4.267 . 0 0 "[ . 1 . 2]" 1
566 1 67 ILE H 1 67 ILE QG . . 3.700 2.689 1.934 2.902 . 0 0 "[ . 1 . 2]" 1
567 1 67 ILE H 1 67 ILE MG . . 3.940 3.927 3.780 3.959 0.019 16 0 "[ . 1 . 2]" 1
568 1 67 ILE HA 1 67 ILE MG . . 3.210 2.276 2.102 2.374 . 0 0 "[ . 1 . 2]" 1
569 1 67 ILE HA 1 68 ASN H . . 3.040 2.212 2.147 2.371 . 0 0 "[ . 1 . 2]" 1
570 1 67 ILE HB 1 68 ASN H . . 4.110 3.897 3.383 4.117 0.007 3 0 "[ . 1 . 2]" 1
571 1 67 ILE HB 1 71 ASP QB . . 5.090 5.092 5.025 5.130 0.040 14 0 "[ . 1 . 2]" 1
572 1 67 ILE MD 1 68 ASN H . . 5.100 4.769 3.672 5.114 0.014 3 0 "[ . 1 . 2]" 1
573 1 67 ILE QG 1 67 ILE MG . . 2.850 2.291 2.195 2.352 . 0 0 "[ . 1 . 2]" 1
574 1 67 ILE MG 1 68 ASN H . . 3.620 2.216 1.876 2.597 . 0 0 "[ . 1 . 2]" 1
575 1 67 ILE MG 1 68 ASN HA . . 5.140 3.924 3.623 4.143 . 0 0 "[ . 1 . 2]" 1
576 1 67 ILE MG 1 71 ASP H . . 4.720 4.098 2.841 4.580 . 0 0 "[ . 1 . 2]" 1
577 1 67 ILE MG 1 71 ASP QB . . 4.100 2.577 2.388 2.862 . 0 0 "[ . 1 . 2]" 1
578 1 68 ASN H 1 68 ASN QB . . 3.500 2.496 2.207 2.721 . 0 0 "[ . 1 . 2]" 1
579 1 68 ASN H 1 68 ASN HD21 . . 5.370 4.007 2.784 4.933 . 0 0 "[ . 1 . 2]" 1
580 1 68 ASN H 1 68 ASN QD . . 4.590 3.737 2.740 4.548 . 0 0 "[ . 1 . 2]" 1
581 1 68 ASN H 1 68 ASN HD22 . . 5.370 4.548 3.736 5.332 . 0 0 "[ . 1 . 2]" 1
582 1 68 ASN H 1 71 ASP H . . 4.570 4.231 3.559 4.582 0.012 8 0 "[ . 1 . 2]" 1
583 1 68 ASN H 1 71 ASP QB . . 3.740 2.597 2.151 3.738 . 0 0 "[ . 1 . 2]" 1
584 1 68 ASN HA 1 69 GLU H . . 3.210 2.551 2.219 2.843 . 0 0 "[ . 1 . 2]" 1
585 1 68 ASN HA 1 69 GLU HA . . 4.780 4.376 4.295 4.881 0.101 17 0 "[ . 1 . 2]" 1
586 1 68 ASN HA 1 69 GLU HB3 . . 4.640 4.595 4.428 5.092 0.452 19 0 "[ . 1 . 2]" 1
587 1 68 ASN HA 1 69 GLU QG . . 5.340 4.346 3.447 5.018 . 0 0 "[ . 1 . 2]" 1
588 1 68 ASN HA 1 70 THR H . . 4.830 4.285 3.175 4.664 . 0 0 "[ . 1 . 2]" 1
589 1 68 ASN QB 1 69 GLU H . . 3.810 2.355 1.929 3.832 0.022 17 0 "[ . 1 . 2]" 1
590 1 68 ASN QB 1 70 THR H . . 3.840 2.696 2.279 4.164 0.324 19 0 "[ . 1 . 2]" 1
591 1 68 ASN QB 1 71 ASP H . . 4.660 3.309 2.357 4.868 0.208 19 0 "[ . 1 . 2]" 1
592 1 69 GLU H 1 69 GLU HB3 . . 3.470 2.697 2.506 2.925 . 0 0 "[ . 1 . 2]" 1
593 1 69 GLU H 1 69 GLU HG2 . . 4.180 2.365 1.951 3.733 . 0 0 "[ . 1 . 2]" 1
594 1 69 GLU H 1 69 GLU QG . . 3.440 2.264 1.933 3.493 0.053 19 0 "[ . 1 . 2]" 1
595 1 69 GLU H 1 69 GLU HG3 . . 4.180 3.472 2.240 4.202 0.022 19 0 "[ . 1 . 2]" 1
596 1 69 GLU H 1 70 THR H . . 3.870 2.466 2.110 2.912 . 0 0 "[ . 1 . 2]" 1
597 1 69 GLU H 1 71 ASP H . . 4.470 4.225 3.867 4.556 0.086 19 0 "[ . 1 . 2]" 1
598 1 69 GLU HA 1 69 GLU QG . . 3.530 3.354 3.327 3.441 . 0 0 "[ . 1 . 2]" 1
599 1 69 GLU HA 1 71 ASP H . . 4.670 3.932 3.541 4.600 . 0 0 "[ . 1 . 2]" 1
600 1 69 GLU HB3 1 70 THR H . . 4.250 4.079 3.914 4.598 0.348 17 0 "[ . 1 . 2]" 1
601 1 69 GLU QG 1 70 THR H . . 4.330 2.398 2.039 3.761 . 0 0 "[ . 1 . 2]" 1
602 1 69 GLU QG 1 70 THR MG . . 4.050 3.333 2.822 3.919 . 0 0 "[ . 1 . 2]" 1
603 1 70 THR H 1 70 THR MG . . 3.540 2.301 1.946 3.631 0.091 3 0 "[ . 1 . 2]" 1
604 1 70 THR H 1 71 ASP H . . 3.430 2.731 1.902 2.996 . 0 0 "[ . 1 . 2]" 1
605 1 70 THR HA 1 70 THR MG . . 3.210 3.089 2.132 3.207 . 0 0 "[ . 1 . 2]" 1
606 1 70 THR MG 1 71 ASP H . . 4.830 3.340 2.027 3.950 . 0 0 "[ . 1 . 2]" 1
607 1 70 THR MG 1 71 ASP HA . . 4.310 3.785 3.172 4.339 0.029 3 0 "[ . 1 . 2]" 1
608 1 71 ASP H 1 71 ASP HB2 . . 3.790 2.606 2.176 3.646 . 0 0 "[ . 1 . 2]" 1
609 1 71 ASP H 1 71 ASP QB . . 3.090 2.371 2.124 2.505 . 0 0 "[ . 1 . 2]" 1
610 1 71 ASP H 1 71 ASP HB3 . . 3.790 3.264 2.439 3.672 . 0 0 "[ . 1 . 2]" 1
611 1 71 ASP HA 1 72 THR H . . 3.210 2.359 2.147 2.586 . 0 0 "[ . 1 . 2]" 1
612 1 71 ASP HA 1 72 THR HA . . 4.920 4.442 4.344 4.553 . 0 0 "[ . 1 . 2]" 1
613 1 71 ASP QB 1 72 THR H . . 3.700 2.771 2.047 3.414 . 0 0 "[ . 1 . 2]" 1
614 1 71 ASP QB 1 72 THR HA . . 4.800 4.214 3.888 4.534 . 0 0 "[ . 1 . 2]" 1
615 1 71 ASP QB 1 76 LEU QD . . 3.470 2.531 1.889 3.237 . 0 0 "[ . 1 . 2]" 1
616 1 72 THR H 1 72 THR MG . . 3.700 3.309 2.944 3.608 . 0 0 "[ . 1 . 2]" 1
617 1 72 THR H 1 73 PRO QD . . 5.030 4.353 4.308 4.378 . 0 0 "[ . 1 . 2]" 1
618 1 72 THR H 1 75 GLN H . . 4.620 4.062 3.723 4.322 . 0 0 "[ . 1 . 2]" 1
619 1 72 THR H 1 76 LEU QB . . 5.340 4.825 3.618 5.318 . 0 0 "[ . 1 . 2]" 1
620 1 72 THR H 1 76 LEU QD . . 3.990 3.487 2.828 3.999 0.009 1 0 "[ . 1 . 2]" 1
621 1 72 THR HA 1 72 THR MG . . 3.400 2.073 1.979 2.350 . 0 0 "[ . 1 . 2]" 1
622 1 72 THR HA 1 73 PRO QG . . 4.610 4.046 3.983 4.061 . 0 0 "[ . 1 . 2]" 1
623 1 72 THR HB 1 74 ALA H . . 4.120 2.290 2.127 2.943 . 0 0 "[ . 1 . 2]" 1
624 1 72 THR HB 1 75 GLN H . . 5.200 3.615 3.115 3.995 . 0 0 "[ . 1 . 2]" 1
625 1 72 THR HG1 1 75 GLN H . . 5.230 3.423 2.476 4.509 . 0 0 "[ . 1 . 2]" 1
626 1 72 THR MG 1 73 PRO QG . . 4.730 4.037 3.818 4.716 . 0 0 "[ . 1 . 2]" 1
627 1 73 PRO HA 1 76 LEU H . . 4.430 3.508 3.166 4.025 . 0 0 "[ . 1 . 2]" 1
628 1 73 PRO HA 1 76 LEU QD . . 4.280 3.302 2.422 4.021 . 0 0 "[ . 1 . 2]" 1
629 1 73 PRO HA 1 76 LEU HG . . 5.440 4.446 3.545 5.470 0.030 14 0 "[ . 1 . 2]" 1
630 1 73 PRO HA 1 78 MET H . . 4.760 3.695 3.090 4.302 . 0 0 "[ . 1 . 2]" 1
631 1 73 PRO HA 1 78 MET QB . . 4.270 3.882 2.856 4.284 0.014 16 0 "[ . 1 . 2]" 1
632 1 73 PRO HA 1 78 MET QG . . 3.400 2.561 1.965 3.408 0.008 4 0 "[ . 1 . 2]" 1
633 1 73 PRO QG 1 74 ALA H . . 3.970 2.768 2.175 2.990 . 0 0 "[ . 1 . 2]" 1
634 1 73 PRO QG 1 74 ALA MB . . 4.540 3.563 3.257 3.737 . 0 0 "[ . 1 . 2]" 1
635 1 74 ALA H 1 74 ALA MB . . 3.040 2.204 2.082 2.341 . 0 0 "[ . 1 . 2]" 1
636 1 74 ALA H 1 75 GLN H . . 3.960 2.546 2.162 2.861 . 0 0 "[ . 1 . 2]" 1
637 1 74 ALA H 1 76 LEU H . . 4.670 3.885 3.714 4.248 . 0 0 "[ . 1 . 2]" 1
638 1 74 ALA HA 1 76 LEU H . . 4.230 3.782 3.520 4.001 . 0 0 "[ . 1 . 2]" 1
639 1 74 ALA HA 1 77 GLU H . . 4.290 3.994 3.664 4.304 0.014 1 0 "[ . 1 . 2]" 1
640 1 74 ALA HA 1 77 GLU QG . . 5.500 5.374 5.009 5.516 0.016 7 0 "[ . 1 . 2]" 1
641 1 74 ALA MB 1 75 GLN H . . 3.320 2.695 2.397 3.336 0.016 5 0 "[ . 1 . 2]" 1
642 1 75 GLN H 1 76 LEU H . . 3.500 2.508 1.904 2.673 . 0 0 "[ . 1 . 2]" 1
643 1 75 GLN HA 1 77 GLU H . . 4.610 3.908 3.748 4.067 . 0 0 "[ . 1 . 2]" 1
644 1 75 GLN QB 1 76 LEU H . . 3.910 3.637 3.383 3.938 0.028 12 0 "[ . 1 . 2]" 1
645 1 75 GLN QB 1 77 GLU H . . 5.370 5.043 4.839 5.209 . 0 0 "[ . 1 . 2]" 1
646 1 76 LEU H 1 77 GLU H . . 3.470 1.887 1.864 1.900 . 0 0 "[ . 1 . 2]" 1
647 1 76 LEU H 1 77 GLU HA . . 4.470 4.099 3.983 4.146 . 0 0 "[ . 1 . 2]" 1
648 1 76 LEU H 1 77 GLU QG . . 4.020 3.880 3.690 4.035 0.015 20 0 "[ . 1 . 2]" 1
649 1 76 LEU H 1 78 MET H . . 4.470 3.794 3.402 4.278 . 0 0 "[ . 1 . 2]" 1
650 1 76 LEU H 1 79 GLU QG . . 5.500 5.496 5.244 5.532 0.032 4 0 "[ . 1 . 2]" 1
651 1 76 LEU HA 1 76 LEU QD . . 3.010 2.231 1.935 2.907 . 0 0 "[ . 1 . 2]" 1
652 1 76 LEU HA 1 77 GLU QG . . 4.240 3.655 3.410 4.041 . 0 0 "[ . 1 . 2]" 1
653 1 76 LEU QB 1 78 MET H . . 5.340 3.244 2.681 3.843 . 0 0 "[ . 1 . 2]" 1
654 1 76 LEU QB 1 78 MET QB . . 4.940 3.195 2.814 3.588 . 0 0 "[ . 1 . 2]" 1
655 1 76 LEU QB 1 78 MET QG . . 4.280 2.074 1.842 2.705 . 0 0 "[ . 1 . 2]" 1
656 1 76 LEU QD 1 77 GLU H . . 5.440 4.204 3.885 4.513 . 0 0 "[ . 1 . 2]" 1
657 1 76 LEU QD 1 78 MET QG . . 4.600 3.121 2.144 3.676 . 0 0 "[ . 1 . 2]" 1
658 1 76 LEU HG 1 77 GLU H . . 5.500 5.164 4.271 5.531 0.031 16 0 "[ . 1 . 2]" 1
659 1 77 GLU H 1 77 GLU QG . . 3.320 2.633 2.464 2.736 . 0 0 "[ . 1 . 2]" 1
660 1 77 GLU H 1 78 MET QB . . 5.340 4.931 4.787 5.090 . 0 0 "[ . 1 . 2]" 1
661 1 77 GLU HA 1 78 MET H . . 3.540 2.731 2.485 3.008 . 0 0 "[ . 1 . 2]" 1
662 1 78 MET H 1 78 MET QB . . 3.540 2.837 2.528 3.040 . 0 0 "[ . 1 . 2]" 1
663 1 78 MET H 1 78 MET QG . . 3.320 2.225 1.915 2.747 . 0 0 "[ . 1 . 2]" 1
664 1 78 MET H 1 79 GLU H . . 5.500 3.477 3.043 3.940 . 0 0 "[ . 1 . 2]" 1
665 1 78 MET HA 1 78 MET QG . . 3.720 3.094 2.420 3.338 . 0 0 "[ . 1 . 2]" 1
666 1 78 MET HA 1 79 GLU H . . 4.000 2.475 2.239 2.663 . 0 0 "[ . 1 . 2]" 1
667 1 78 MET QG 1 79 GLU H . . 4.800 4.354 4.027 4.761 . 0 0 "[ . 1 . 2]" 1
668 1 79 GLU H 1 79 GLU HB2 . . 3.810 3.003 2.891 3.125 . 0 0 "[ . 1 . 2]" 1
669 1 79 GLU H 1 79 GLU QG . . 4.670 2.502 2.234 2.958 . 0 0 "[ . 1 . 2]" 1
670 1 79 GLU H 1 80 ASP H . . 4.770 4.323 4.295 4.345 . 0 0 "[ . 1 . 2]" 1
671 1 79 GLU HA 1 80 ASP H . . 3.300 2.749 2.738 2.772 . 0 0 "[ . 1 . 2]" 1
672 1 79 GLU HB2 1 80 ASP H . . 3.870 2.479 2.425 2.550 . 0 0 "[ . 1 . 2]" 1
673 1 79 GLU HB2 1 80 ASP HA . . 4.120 4.252 4.198 4.315 0.195 18 0 "[ . 1 . 2]" 1
674 1 79 GLU HB3 1 80 ASP H . . 3.540 2.197 2.138 2.258 . 0 0 "[ . 1 . 2]" 1
675 1 79 GLU HB3 1 81 GLU H . . 5.420 4.488 4.431 4.541 . 0 0 "[ . 1 . 2]" 1
676 1 79 GLU QG 1 80 ASP H . . 5.040 4.002 3.929 4.032 . 0 0 "[ . 1 . 2]" 1
677 1 80 ASP H 1 81 GLU H . . 4.620 2.719 2.676 2.774 . 0 0 "[ . 1 . 2]" 1
678 1 80 ASP HA 1 81 GLU H . . 3.240 2.711 2.674 2.740 . 0 0 "[ . 1 . 2]" 1
679 1 80 ASP HA 1 81 GLU HA . . 4.970 4.715 4.690 4.738 . 0 0 "[ . 1 . 2]" 1
680 1 81 GLU H 1 82 ASP H . . 3.580 2.713 2.608 3.245 . 0 0 "[ . 1 . 2]" 1
681 1 82 ASP H 1 82 ASP QB . . 3.320 2.182 2.046 2.703 . 0 0 "[ . 1 . 2]" 1
682 1 82 ASP HA 1 83 THR H . . 3.140 2.268 2.138 2.667 . 0 0 "[ . 1 . 2]" 1
683 1 82 ASP HA 1 83 THR HB . . 4.930 4.779 4.697 4.844 . 0 0 "[ . 1 . 2]" 1
684 1 82 ASP QB 1 83 THR H . . 4.130 3.199 2.202 3.820 . 0 0 "[ . 1 . 2]" 1
685 1 82 ASP QB 1 84 ILE MD . . 4.700 3.571 2.348 4.401 . 0 0 "[ . 1 . 2]" 1
686 1 83 THR H 1 83 THR HB . . 3.470 2.736 2.590 2.961 . 0 0 "[ . 1 . 2]" 1
687 1 83 THR H 1 83 THR MG . . 4.270 3.869 3.812 3.983 . 0 0 "[ . 1 . 2]" 1
688 1 83 THR H 1 84 ILE H . . 4.770 4.185 3.865 4.384 . 0 0 "[ . 1 . 2]" 1
689 1 83 THR HA 1 83 THR MG . . 3.300 2.243 2.189 2.363 . 0 0 "[ . 1 . 2]" 1
690 1 83 THR HA 1 84 ILE H . . 3.210 2.163 2.143 2.201 . 0 0 "[ . 1 . 2]" 1
691 1 83 THR HA 1 84 ILE HB . . 4.990 4.756 4.640 4.823 . 0 0 "[ . 1 . 2]" 1
692 1 83 THR HB 1 84 ILE H . . 5.290 4.293 4.203 4.378 . 0 0 "[ . 1 . 2]" 1
693 1 83 THR MG 1 84 ILE H . . 3.660 2.935 2.706 3.167 . 0 0 "[ . 1 . 2]" 1
694 1 83 THR MG 1 84 ILE HA . . 4.840 4.247 4.054 4.380 . 0 0 "[ . 1 . 2]" 1
695 1 84 ILE H 1 84 ILE HB . . 3.700 2.603 2.470 2.681 . 0 0 "[ . 1 . 2]" 1
696 1 84 ILE H 1 84 ILE MD . . 4.700 3.166 1.927 3.819 . 0 0 "[ . 1 . 2]" 1
697 1 84 ILE H 1 84 ILE HG12 . . 4.640 3.339 2.111 4.049 . 0 0 "[ . 1 . 2]" 1
698 1 84 ILE H 1 84 ILE QG . . 4.000 2.381 2.098 3.075 . 0 0 "[ . 1 . 2]" 1
699 1 84 ILE H 1 84 ILE HG13 . . 4.640 2.722 2.160 3.712 . 0 0 "[ . 1 . 2]" 1
700 1 84 ILE H 1 84 ILE MG . . 4.130 3.805 3.771 3.842 . 0 0 "[ . 1 . 2]" 1
701 1 84 ILE HA 1 84 ILE MD . . 4.500 3.428 2.076 3.873 . 0 0 "[ . 1 . 2]" 1
702 1 84 ILE HA 1 84 ILE MG . . 3.610 2.289 2.166 2.419 . 0 0 "[ . 1 . 2]" 1
703 1 84 ILE HA 1 85 ASP H . . 3.070 2.155 2.139 2.237 . 0 0 "[ . 1 . 2]" 1
704 1 84 ILE HB 1 84 ILE MD . . 3.720 2.502 2.084 3.230 . 0 0 "[ . 1 . 2]" 1
705 1 84 ILE HB 1 85 ASP H . . 4.230 4.152 3.809 4.274 0.044 13 0 "[ . 1 . 2]" 1
706 1 84 ILE MD 1 84 ILE MG . . 3.210 2.258 1.911 3.138 . 0 0 "[ . 1 . 2]" 1
707 1 84 ILE MD 1 85 ASP H . . 5.180 4.855 3.829 5.212 0.032 9 0 "[ . 1 . 2]" 1
708 1 84 ILE QG 1 85 ASP H . . 4.940 4.346 3.951 4.861 . 0 0 "[ . 1 . 2]" 1
709 1 84 ILE MG 1 85 ASP H . . 3.660 2.726 2.215 3.103 . 0 0 "[ . 1 . 2]" 1
710 1 84 ILE MG 1 86 VAL QG . . 4.660 3.735 2.442 4.565 . 0 0 "[ . 1 . 2]" 1
711 1 85 ASP H 1 85 ASP QB . . 3.350 2.270 2.118 2.652 . 0 0 "[ . 1 . 2]" 1
712 1 85 ASP H 1 86 VAL H . . 4.830 4.531 4.348 4.634 . 0 0 "[ . 1 . 2]" 1
713 1 85 ASP HA 1 86 VAL H . . 2.900 2.181 2.140 2.277 . 0 0 "[ . 1 . 2]" 1
714 1 85 ASP QB 1 86 VAL H . . 3.660 3.234 2.840 3.684 0.024 12 0 "[ . 1 . 2]" 1
715 1 85 ASP QB 1 86 VAL QG . . 5.010 4.366 4.057 4.852 . 0 0 "[ . 1 . 2]" 1
716 1 86 VAL H 1 86 VAL HB . . 3.880 2.694 2.448 2.907 . 0 0 "[ . 1 . 2]" 1
717 1 86 VAL H 1 86 VAL MG1 . . 4.210 2.909 2.317 3.937 . 0 0 "[ . 1 . 2]" 1
718 1 86 VAL H 1 86 VAL MG2 . . 4.210 3.564 2.697 3.918 . 0 0 "[ . 1 . 2]" 1
719 1 86 VAL H 1 87 PHE H . . 4.930 4.469 4.308 4.607 . 0 0 "[ . 1 . 2]" 1
720 1 86 VAL HA 1 87 PHE H . . 2.970 2.280 2.143 2.455 . 0 0 "[ . 1 . 2]" 1
721 1 86 VAL HB 1 87 PHE H . . 4.230 4.043 3.884 4.244 0.014 2 0 "[ . 1 . 2]" 1
722 1 86 VAL QG 1 87 PHE H . . 3.600 2.095 1.863 2.461 . 0 0 "[ . 1 . 2]" 1
723 1 86 VAL MG1 1 87 PHE H . . 4.270 2.850 1.984 3.450 . 0 0 "[ . 1 . 2]" 1
724 1 86 VAL MG2 1 87 PHE H . . 4.270 2.707 1.882 4.035 . 0 0 "[ . 1 . 2]" 1
725 1 87 PHE H 1 87 PHE HB2 . . 4.180 2.670 2.273 3.805 . 0 0 "[ . 1 . 2]" 1
726 1 87 PHE H 1 87 PHE QB . . 3.590 2.436 2.183 3.246 . 0 0 "[ . 1 . 2]" 1
727 1 87 PHE H 1 87 PHE HB3 . . 4.180 2.879 2.526 3.521 . 0 0 "[ . 1 . 2]" 1
728 1 87 PHE H 1 87 PHE HD1 . . 5.060 4.641 3.425 4.985 . 0 0 "[ . 1 . 2]" 1
729 1 87 PHE HA 1 88 GLN H . . 2.750 2.190 2.139 2.484 . 0 0 "[ . 1 . 2]" 1
730 1 87 PHE QB 1 88 GLN H . . 3.880 3.674 2.233 3.922 0.042 9 0 "[ . 1 . 2]" 1
731 1 87 PHE HB2 1 88 GLN H . . 4.550 4.333 2.259 4.599 0.049 4 0 "[ . 1 . 2]" 1
732 1 87 PHE HB3 1 88 GLN H . . 4.550 4.025 3.368 4.257 . 0 0 "[ . 1 . 2]" 1
733 1 87 PHE HD1 1 88 GLN H . . 4.520 3.416 2.311 4.528 0.008 4 0 "[ . 1 . 2]" 1
734 1 87 PHE HD1 1 88 GLN QG . . 5.500 5.246 4.321 6.481 0.981 7 1 "[ . + 1 . 2]" 1
735 1 88 GLN H 1 88 GLN HB2 . . 4.070 3.180 2.367 4.010 . 0 0 "[ . 1 . 2]" 1
736 1 88 GLN H 1 88 GLN QB . . 3.420 2.811 2.231 3.328 . 0 0 "[ . 1 . 2]" 1
737 1 88 GLN H 1 88 GLN HB3 . . 4.070 3.355 2.402 3.941 . 0 0 "[ . 1 . 2]" 1
738 1 88 GLN H 1 88 GLN QG . . 4.430 3.094 2.126 4.228 . 0 0 "[ . 1 . 2]" 1
739 1 88 GLN QG 1 89 GLN H . . 4.640 3.496 2.025 4.415 . 0 0 "[ . 1 . 2]" 1
740 1 89 GLN HA 1 90 GLN H . . 3.470 2.783 2.147 3.555 0.085 3 0 "[ . 1 . 2]" 1
741 1 90 GLN QB 1 91 THR MG . . 5.500 4.773 2.840 5.487 . 0 0 "[ . 1 . 2]" 1
742 1 91 THR H 1 91 THR HG1 . . 4.460 3.362 1.957 4.485 0.025 19 0 "[ . 1 . 2]" 1
743 1 91 THR HA 1 91 THR MG . . 3.720 2.475 2.035 3.202 . 0 0 "[ . 1 . 2]" 1
744 1 94 VAL HB 1 95 TYR H . . 4.830 3.596 1.972 4.447 . 0 0 "[ . 1 . 2]" 1
745 1 94 VAL QG 1 95 TYR H . . 5.110 2.954 1.999 3.716 . 0 0 "[ . 1 . 2]" 1
746 1 95 TYR HA 1 95 TYR HD2 . . 4.640 4.211 3.421 4.665 0.025 1 0 "[ . 1 . 2]" 1
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