Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
591304 | 2mq6 RC | 25016 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mq6
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 1098
_Distance_constraint_stats_list.Viol_count 1027
_Distance_constraint_stats_list.Viol_total 2596.714
_Distance_constraint_stats_list.Viol_max 2.042
_Distance_constraint_stats_list.Viol_rms 0.1386
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0236
_Distance_constraint_stats_list.Viol_average_violations_only 0.2528
_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 3 ASP 0.019 0.019 4 0 "[ . 1]"
1 4 ASP 0.033 0.019 4 0 "[ . 1]"
1 5 PRO 0.014 0.007 10 0 "[ . 1]"
1 6 SER 0.004 0.004 3 0 "[ . 1]"
1 7 ALA 0.242 0.075 9 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 ASP 0.000 0.000 . 0 "[ . 1]"
1 10 ARG 0.000 0.000 . 0 "[ . 1]"
1 11 ASN 1.459 0.156 3 0 "[ . 1]"
1 12 VAL 1.323 0.626 10 1 "[ . +]"
1 13 GLU 5.921 0.626 10 1 "[ . +]"
1 14 ILE 3.004 0.437 7 0 "[ . 1]"
1 15 TRP 5.602 0.884 4 3 "[ +. *-]"
1 16 LYS 11.438 1.502 1 5 "[+** . *-1]"
1 17 ILE 16.660 1.502 1 5 "[+** . *-1]"
1 18 LYS 3.211 0.639 4 1 "[ +. 1]"
1 19 LYS 4.791 0.884 4 3 "[ +. *-]"
1 20 LEU 1.160 0.386 8 0 "[ . 1]"
1 21 ILE 0.619 0.172 3 0 "[ . 1]"
1 22 LYS 0.517 0.172 3 0 "[ . 1]"
1 23 SER 0.000 0.000 . 0 "[ . 1]"
1 24 LEU 0.562 0.192 5 0 "[ . 1]"
1 25 GLU 1.288 0.533 3 1 "[ + . 1]"
1 26 ALA 1.277 0.533 3 1 "[ + . 1]"
1 27 ALA 0.003 0.003 5 0 "[ . 1]"
1 28 ARG 3.912 0.397 2 0 "[ . 1]"
1 29 GLY 1.769 0.397 2 0 "[ . 1]"
1 30 ASN 3.488 2.042 8 2 "[- . + 1]"
1 31 GLY 4.006 1.530 8 3 "[ * . +-1]"
1 32 THR 0.042 0.023 5 0 "[ . 1]"
1 33 SER 0.265 0.104 9 0 "[ . 1]"
1 34 MET 4.224 0.975 9 5 "[- .* *+*]"
1 35 ILE 0.842 0.323 2 0 "[ . 1]"
1 36 SER 0.419 0.323 2 0 "[ . 1]"
1 37 LEU 1.105 0.241 5 0 "[ . 1]"
1 38 ILE 4.595 0.439 4 0 "[ . 1]"
1 39 ILE 4.007 0.842 8 4 "[ * -* + 1]"
1 40 PRO 0.166 0.098 1 0 "[ . 1]"
1 41 PRO 1.312 0.349 6 0 "[ . 1]"
1 42 LYS 1.278 0.349 6 0 "[ . 1]"
1 43 ASP 1.380 0.418 10 0 "[ . 1]"
1 44 GLN 9.488 1.548 10 8 "[*** -** *+]"
1 45 ILE 18.373 1.722 2 9 "[ +****-***]"
1 46 SER 0.090 0.077 6 0 "[ . 1]"
1 47 ARG 0.818 0.130 5 0 "[ . 1]"
1 48 VAL 1.017 0.131 10 0 "[ . 1]"
1 49 ALA 4.494 0.428 2 0 "[ . 1]"
1 50 LYS 0.292 0.105 1 0 "[ . 1]"
1 51 MET 7.878 1.321 3 7 "[ *+-** **]"
1 52 LEU 9.692 1.321 3 7 "[ *+-** **]"
1 53 ALA 3.889 0.512 10 1 "[ . +]"
1 54 ASP 0.053 0.023 4 0 "[ . 1]"
1 55 GLU 0.009 0.009 7 0 "[ . 1]"
1 56 PHE 4.204 0.915 8 2 "[ . +-1]"
1 57 GLY 1.443 0.915 8 2 "[ . +-1]"
1 58 THR 21.163 1.292 5 9 "[****+** *-]"
1 59 ALA 0.071 0.037 2 0 "[ . 1]"
1 60 SER 0.000 0.000 . 0 "[ . 1]"
1 61 ASN 22.515 1.949 5 10 [*-**+*****]
1 62 ILE 64.693 1.949 5 10 [****+****-]
1 63 LYS 0.641 0.082 8 0 "[ . 1]"
1 64 SER 0.664 0.082 8 0 "[ . 1]"
1 65 ARG 0.000 0.000 . 0 "[ . 1]"
1 66 VAL 0.899 0.193 5 0 "[ . 1]"
1 67 ASN 17.236 1.730 5 10 [***-+*****]
1 68 ARG 17.666 1.901 10 10 [********-+]
1 69 LEU 0.416 0.295 10 0 "[ . 1]"
1 70 SER 0.451 0.295 10 0 "[ . 1]"
1 71 VAL 0.536 0.119 4 0 "[ . 1]"
1 72 LEU 1.625 0.188 5 0 "[ . 1]"
1 73 GLY 1.090 0.188 5 0 "[ . 1]"
1 74 ALA 0.000 0.000 . 0 "[ . 1]"
1 75 ILE 0.119 0.119 9 0 "[ . 1]"
1 76 THR 0.154 0.154 10 0 "[ . 1]"
1 77 SER 3.965 0.917 5 4 "[ - +** 1]"
1 78 VAL 1.458 0.298 9 0 "[ . 1]"
1 79 GLN 17.385 0.666 5 2 "[ + -]"
1 80 GLN 4.150 0.666 5 1 "[ + 1]"
1 81 ARG 0.000 0.000 1 0 "[ . 1]"
1 82 LEU 2.038 0.422 3 0 "[ . 1]"
1 83 LYS 0.238 0.083 3 0 "[ . 1]"
1 84 LEU 1.276 0.248 4 0 "[ . 1]"
1 85 TYR 1.218 0.248 4 0 "[ . 1]"
1 86 ASN 0.399 0.244 1 0 "[ . 1]"
1 87 LYS 11.379 1.658 5 8 "[ ***+*-* *]"
1 88 VAL 19.937 1.722 2 8 "[*+* -** **]"
1 89 PRO 0.000 0.000 . 0 "[ . 1]"
1 90 PRO 2.806 0.349 8 0 "[ . 1]"
1 91 ASN 2.189 0.517 5 1 "[ + 1]"
1 92 GLY 3.638 0.506 5 1 "[ + 1]"
1 93 LEU 9.105 0.842 8 7 "[ ** -**+*1]"
1 94 VAL 2.732 0.457 4 0 "[ . 1]"
1 95 VAL 0.977 0.241 5 0 "[ . 1]"
1 96 TYR 3.113 0.216 5 0 "[ . 1]"
1 97 CYS 0.344 0.148 2 0 "[ . 1]"
1 98 GLY 4.679 0.975 9 5 "[- .* *+*]"
1 99 THR 7.777 2.042 8 4 "[** . +-1]"
1 100 ILE 0.324 0.063 9 0 "[ . 1]"
1 101 VAL 1.026 0.215 6 0 "[ . 1]"
1 102 THR 0.296 0.250 2 0 "[ . 1]"
1 103 GLU 0.011 0.011 6 0 "[ . 1]"
1 104 GLU 0.027 0.016 6 0 "[ . 1]"
1 105 GLY 0.020 0.020 1 0 "[ . 1]"
1 106 LYS 3.633 0.631 4 2 "[ +- 1]"
1 107 GLU 3.343 0.631 4 2 "[ +- 1]"
1 108 LYS 0.427 0.356 5 0 "[ . 1]"
1 109 LYS 1.286 0.356 5 0 "[ . 1]"
1 110 VAL 1.011 0.235 7 0 "[ . 1]"
1 111 ASN 4.585 0.917 5 4 "[ - +** 1]"
1 112 ILE 1.793 0.566 6 1 "[ .+ 1]"
1 113 ASP 0.586 0.566 6 1 "[ .+ 1]"
1 114 PHE 4.232 0.463 9 0 "[ . 1]"
1 115 GLU 0.202 0.100 4 0 "[ . 1]"
1 117 PHE 4.590 0.758 3 2 "[ + .- 1]"
1 118 LYS 3.060 0.758 3 2 "[ + .- 1]"
1 119 PRO 0.124 0.067 6 0 "[ . 1]"
1 120 ILE 2.031 0.517 5 1 "[ + 1]"
1 121 ASN 5.035 0.521 2 2 "[ + . - 1]"
1 122 THR 7.486 0.521 2 2 "[ + . - 1]"
1 123 SER 1.202 0.270 2 0 "[ . 1]"
1 124 LEU 5.501 0.643 7 1 "[ . + 1]"
1 125 PHE 3.463 0.643 7 1 "[ . + 1]"
1 126 LEU 2.560 0.757 4 1 "[ +. 1]"
1 127 CYS 0.537 0.214 8 0 "[ . 1]"
1 128 ASP 2.535 0.757 4 1 "[ +. 1]"
1 129 ASN 0.136 0.114 8 0 "[ . 1]"
1 130 LYS 1.137 0.243 5 0 "[ . 1]"
1 131 PHE 1.708 0.192 5 0 "[ . 1]"
1 132 HIS 1.570 0.216 5 0 "[ . 1]"
1 133 THR 0.002 0.002 4 0 "[ . 1]"
1 134 GLU 1.013 0.188 10 0 "[ . 1]"
1 135 ALA 0.024 0.024 10 0 "[ . 1]"
1 136 LEU 1.551 0.532 1 1 "[+ . 1]"
1 137 THR 0.300 0.143 10 0 "[ . 1]"
1 138 ALA 0.592 0.296 2 0 "[ . 1]"
1 139 LEU 0.802 0.233 1 0 "[ . 1]"
1 140 LEU 2.229 0.351 7 0 "[ . 1]"
1 141 SER 1.582 0.296 2 0 "[ . 1]"
1 142 ASP 0.053 0.053 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 120 ILE HA 1 122 THR H . . 3.680 3.558 3.346 3.703 0.023 5 0 "[ . 1]" 1
2 1 122 THR H 1 122 THR MG . . 3.000 2.379 1.926 2.926 . 0 0 "[ . 1]" 1
3 1 121 ASN H 1 122 THR H . . 3.240 2.778 2.701 2.956 . 0 0 "[ . 1]" 1
4 1 121 ASN HB2 1 122 THR H . . 4.670 3.892 3.698 4.148 . 0 0 "[ . 1]" 1
5 1 120 ILE MD 1 122 THR H . . 4.750 3.796 3.177 4.699 . 0 0 "[ . 1]" 1
6 1 122 THR H 1 122 THR HB . . 3.460 3.500 2.616 3.905 0.445 4 0 "[ . 1]" 1
7 1 120 ILE HB 1 122 THR H . . 3.790 2.495 2.298 3.070 . 0 0 "[ . 1]" 1
8 1 121 ASN HB3 1 122 THR H . . 4.670 4.290 4.228 4.375 . 0 0 "[ . 1]" 1
9 1 79 GLN HB2 1 80 GLN H . . 3.400 2.968 2.691 3.243 . 0 0 "[ . 1]" 1
10 1 80 GLN H 1 80 GLN QE . . 4.950 3.863 3.162 4.027 . 0 0 "[ . 1]" 1
11 1 76 THR MG 1 80 GLN H . . 4.660 4.187 3.893 4.814 0.154 10 0 "[ . 1]" 1
12 1 80 GLN H 1 80 GLN HB2 . . 3.840 3.540 3.483 3.580 . 0 0 "[ . 1]" 1
13 1 79 GLN H 1 80 GLN H . . 3.890 3.224 3.206 3.252 . 0 0 "[ . 1]" 1
14 1 79 GLN HB3 1 80 GLN H . . 3.970 2.094 1.929 2.306 . 0 0 "[ . 1]" 1
15 1 80 GLN H 1 80 GLN HB3 . . 3.840 2.286 2.171 2.405 . 0 0 "[ . 1]" 1
16 1 80 GLN H 1 81 ARG H . . 3.520 2.611 2.576 2.689 . 0 0 "[ . 1]" 1
17 1 101 VAL H 1 101 VAL HB . . 3.150 2.852 2.653 3.365 0.215 6 0 "[ . 1]" 1
18 1 102 THR H 1 107 GLU H . . 5.500 4.548 4.335 4.864 . 0 0 "[ . 1]" 1
19 1 100 ILE HA 1 101 VAL H . . 3.150 2.521 2.379 2.586 . 0 0 "[ . 1]" 1
20 1 101 VAL H 1 101 VAL QG . . 3.270 2.870 2.131 3.210 . 0 0 "[ . 1]" 1
21 1 100 ILE HB 1 101 VAL H . . 3.240 2.168 2.041 2.438 . 0 0 "[ . 1]" 1
22 1 100 ILE MG 1 101 VAL H . . 3.820 3.574 3.396 3.801 . 0 0 "[ . 1]" 1
23 1 106 LYS HA 1 107 GLU H . . 3.090 2.531 2.432 2.564 . 0 0 "[ . 1]" 1
24 1 101 VAL H 1 102 THR HA . . 4.920 4.678 4.622 4.765 . 0 0 "[ . 1]" 1
25 1 106 LYS QG 1 107 GLU H . . 3.620 3.753 2.436 4.251 0.631 4 2 "[ +- 1]" 1
26 1 107 GLU H 1 107 GLU HG2 . . 3.700 2.465 2.206 2.725 . 0 0 "[ . 1]" 1
27 1 106 LYS H 1 107 GLU H . . 4.700 4.455 4.436 4.491 . 0 0 "[ . 1]" 1
28 1 107 GLU H 1 107 GLU HG3 . . 3.700 3.548 3.321 3.673 . 0 0 "[ . 1]" 1
29 1 102 THR MG 1 107 GLU H . . 4.440 4.019 3.604 4.297 . 0 0 "[ . 1]" 1
30 1 48 VAL HB 1 49 ALA H . . 3.710 2.653 2.282 3.692 . 0 0 "[ . 1]" 1
31 1 46 SER HA 1 49 ALA H . . 4.120 3.957 3.786 4.060 . 0 0 "[ . 1]" 1
32 1 49 ALA H 1 51 MET H . . 4.690 4.506 4.358 4.579 . 0 0 "[ . 1]" 1
33 1 49 ALA H 1 49 ALA MB . . 3.060 2.169 2.140 2.211 . 0 0 "[ . 1]" 1
34 1 48 VAL H 1 49 ALA H . . 3.800 2.938 2.830 3.017 . 0 0 "[ . 1]" 1
35 1 47 ARG H 1 49 ALA H . . 4.720 4.710 4.426 4.850 0.130 5 0 "[ . 1]" 1
36 1 53 ALA H 1 54 ASP H . . 3.640 2.777 2.735 2.822 . 0 0 "[ . 1]" 1
37 1 54 ASP H 1 55 GLU QB . . 4.600 4.549 4.473 4.609 0.009 7 0 "[ . 1]" 1
38 1 53 ALA MB 1 54 ASP H . . 3.360 2.150 2.068 2.368 . 0 0 "[ . 1]" 1
39 1 54 ASP H 1 54 ASP HB3 . . 3.620 2.748 2.479 3.576 . 0 0 "[ . 1]" 1
40 1 54 ASP H 1 55 GLU H . . 3.120 2.804 2.763 2.858 . 0 0 "[ . 1]" 1
41 1 51 MET HA 1 54 ASP H . . 3.680 3.574 3.506 3.611 . 0 0 "[ . 1]" 1
42 1 54 ASP H 1 54 ASP HB2 . . 3.620 2.423 2.277 2.597 . 0 0 "[ . 1]" 1
43 1 56 PHE H 1 57 GLY H . . 4.160 2.832 2.613 3.014 . 0 0 "[ . 1]" 1
44 1 56 PHE H 1 56 PHE HB3 . . 3.780 2.451 2.091 3.546 . 0 0 "[ . 1]" 1
45 1 53 ALA MB 1 56 PHE H . . 4.740 4.659 4.606 4.710 . 0 0 "[ . 1]" 1
46 1 53 ALA HA 1 56 PHE H . . 4.030 3.584 3.514 3.649 . 0 0 "[ . 1]" 1
47 1 56 PHE H 1 56 PHE HD2 . . 4.360 3.422 2.858 4.997 0.637 8 1 "[ . + 1]" 1
48 1 55 GLU QB 1 56 PHE H . . 3.790 2.421 2.322 2.550 . 0 0 "[ . 1]" 1
49 1 56 PHE H 1 56 PHE HB2 . . 3.780 3.201 2.263 3.587 . 0 0 "[ . 1]" 1
50 1 56 PHE H 1 75 ILE MG . . 5.500 4.754 4.450 5.011 . 0 0 "[ . 1]" 1
51 1 56 PHE H 1 75 ILE MD . . 4.330 3.364 2.920 3.968 . 0 0 "[ . 1]" 1
52 1 56 PHE H 1 79 GLN HE22 . . 5.500 4.918 4.536 5.323 . 0 0 "[ . 1]" 1
53 1 134 GLU H 1 134 GLU QB . . 3.840 2.285 2.136 2.638 . 0 0 "[ . 1]" 1
54 1 134 GLU H 1 134 GLU QG . . 4.140 3.638 2.046 4.053 . 0 0 "[ . 1]" 1
55 1 133 THR MG 1 134 GLU H . . 4.870 3.589 1.915 4.276 . 0 0 "[ . 1]" 1
56 1 133 THR HB 1 134 GLU H . . 4.920 3.921 3.243 4.180 . 0 0 "[ . 1]" 1
57 1 28 ARG H 1 101 VAL H . . 5.130 5.060 4.636 5.317 0.187 5 0 "[ . 1]" 1
58 1 28 ARG H 1 29 GLY H . . 4.820 4.384 4.035 4.456 . 0 0 "[ . 1]" 1
59 1 27 ALA HA 1 28 ARG H . . 2.970 2.152 2.141 2.170 . 0 0 "[ . 1]" 1
60 1 28 ARG H 1 28 ARG HD3 . . 5.500 4.694 3.591 5.596 0.096 7 0 "[ . 1]" 1
61 1 28 ARG H 1 28 ARG QB . . 3.420 2.708 2.380 3.141 . 0 0 "[ . 1]" 1
62 1 27 ALA H 1 28 ARG H . . 4.730 4.324 4.234 4.519 . 0 0 "[ . 1]" 1
63 1 28 ARG H 1 100 ILE HA . . 5.500 5.466 5.219 5.548 0.048 3 0 "[ . 1]" 1
64 1 28 ARG H 1 28 ARG HD2 . . 5.500 5.298 4.974 5.672 0.172 5 0 "[ . 1]" 1
65 1 27 ALA MB 1 28 ARG H . . 3.870 3.151 3.042 3.248 . 0 0 "[ . 1]" 1
66 1 28 ARG H 1 28 ARG QG . . 4.310 3.162 2.143 4.286 . 0 0 "[ . 1]" 1
67 1 28 ARG H 1 100 ILE MG . . 5.320 5.165 5.016 5.383 0.063 9 0 "[ . 1]" 1
68 1 38 ILE MG 1 39 ILE H . . 3.490 2.230 2.106 2.437 . 0 0 "[ . 1]" 1
69 1 39 ILE H 1 94 VAL QG . . 4.790 3.001 2.293 3.613 . 0 0 "[ . 1]" 1
70 1 39 ILE H 1 93 LEU HG . . 4.980 5.312 4.557 5.822 0.842 8 4 "[ * -* + 1]" 1
71 1 39 ILE H 1 39 ILE QG . . 4.340 3.228 2.275 4.163 . 0 0 "[ . 1]" 1
72 1 39 ILE H 1 39 ILE HB . . 4.120 3.505 2.868 4.009 . 0 0 "[ . 1]" 1
73 1 39 ILE H 1 39 ILE MG . . 4.140 3.002 2.632 3.456 . 0 0 "[ . 1]" 1
74 1 52 LEU H 1 54 ASP H . . 4.910 4.886 4.807 4.933 0.023 4 0 "[ . 1]" 1
75 1 49 ALA HA 1 52 LEU H . . 4.470 3.434 3.313 3.598 . 0 0 "[ . 1]" 1
76 1 51 MET HB2 1 52 LEU H . . 4.430 3.016 2.302 3.805 . 0 0 "[ . 1]" 1
77 1 52 LEU H 1 52 LEU HG . . 3.550 3.248 1.924 3.967 0.417 3 0 "[ . 1]" 1
78 1 51 MET HB3 1 52 LEU H . . 4.430 2.805 2.226 3.400 . 0 0 "[ . 1]" 1
79 1 52 LEU H 1 52 LEU QD . . 3.810 2.012 1.834 2.367 . 0 0 "[ . 1]" 1
80 1 20 LEU QD 1 21 ILE H . . 3.850 3.564 2.727 3.926 0.076 3 0 "[ . 1]" 1
81 1 20 LEU HB2 1 21 ILE H . . 3.920 3.277 2.287 3.758 . 0 0 "[ . 1]" 1
82 1 21 ILE H 1 21 ILE HB . . 3.620 2.342 2.253 2.469 . 0 0 "[ . 1]" 1
83 1 21 ILE H 1 21 ILE QG . . 4.100 3.963 3.810 4.091 . 0 0 "[ . 1]" 1
84 1 21 ILE H 1 21 ILE MG . . 3.550 2.442 2.159 2.707 . 0 0 "[ . 1]" 1
85 1 21 ILE H 1 21 ILE MD . . 4.650 4.136 3.696 4.415 . 0 0 "[ . 1]" 1
86 1 20 LEU HB3 1 21 ILE H . . 3.920 2.554 2.014 3.247 . 0 0 "[ . 1]" 1
87 1 59 ALA MB 1 60 SER H . . 3.620 2.967 2.849 3.102 . 0 0 "[ . 1]" 1
88 1 59 ALA H 1 60 SER H . . 3.710 2.647 2.622 2.691 . 0 0 "[ . 1]" 1
89 1 60 SER H 1 60 SER QB . . 3.070 2.253 2.182 2.305 . 0 0 "[ . 1]" 1
90 1 60 SER H 1 71 VAL QG . . 5.390 4.922 4.636 5.270 . 0 0 "[ . 1]" 1
91 1 56 PHE HB3 1 57 GLY H . . 4.230 3.401 3.042 3.906 . 0 0 "[ . 1]" 1
92 1 56 PHE HD2 1 57 GLY H . . 4.390 3.751 3.114 5.305 0.915 8 2 "[ . +-1]" 1
93 1 56 PHE HB2 1 57 GLY H . . 4.230 3.732 2.638 4.059 . 0 0 "[ . 1]" 1
94 1 104 GLU H 1 105 GLY H . . 3.450 2.653 2.600 2.669 . 0 0 "[ . 1]" 1
95 1 104 GLU QG 1 105 GLY H . . 4.170 4.108 4.001 4.171 0.001 8 0 "[ . 1]" 1
96 1 102 THR HA 1 105 GLY H . . 4.830 4.701 4.516 4.803 . 0 0 "[ . 1]" 1
97 1 103 GLU H 1 105 GLY H . . 4.960 4.169 4.086 4.236 . 0 0 "[ . 1]" 1
98 1 104 GLU HA 1 105 GLY H . . 3.570 3.380 3.307 3.414 . 0 0 "[ . 1]" 1
99 1 103 GLU HA 1 105 GLY H . . 4.310 3.485 3.365 3.654 . 0 0 "[ . 1]" 1
100 1 102 THR H 1 105 GLY H . . 4.720 4.259 4.107 4.387 . 0 0 "[ . 1]" 1
101 1 104 GLU HB2 1 105 GLY H . . 4.480 3.260 3.162 3.462 . 0 0 "[ . 1]" 1
102 1 101 VAL QG 1 105 GLY H . . 3.840 3.681 3.534 3.860 0.020 1 0 "[ . 1]" 1
103 1 104 GLU HB3 1 105 GLY H . . 4.480 4.219 4.182 4.356 . 0 0 "[ . 1]" 1
104 1 102 THR MG 1 105 GLY H . . 4.730 4.218 3.336 4.719 . 0 0 "[ . 1]" 1
105 1 76 THR MG 1 80 GLN QE . . 4.060 3.006 2.498 3.315 . 0 0 "[ . 1]" 1
106 1 77 SER HG 1 80 GLN QE . . 4.310 3.551 3.092 3.789 . 0 0 "[ . 1]" 1
107 1 76 THR HB 1 80 GLN QE . . 5.500 4.651 4.280 5.230 . 0 0 "[ . 1]" 1
108 1 111 ASN H 1 111 ASN HD21 . . 5.120 3.130 1.890 4.583 . 0 0 "[ . 1]" 1
109 1 77 SER HA 1 111 ASN HD21 . . 4.930 5.186 4.571 5.847 0.917 5 4 "[ - +** 1]" 1
110 1 77 SER QB 1 111 ASN HD21 . . 4.680 3.319 2.493 4.687 0.007 5 0 "[ . 1]" 1
111 1 81 ARG QD 1 111 ASN HD21 . . 5.500 3.070 1.928 4.646 . 0 0 "[ . 1]" 1
112 1 52 LEU H 1 53 ALA H . . 3.620 2.751 2.719 2.790 . 0 0 "[ . 1]" 1
113 1 53 ALA H 1 53 ALA MB . . 2.970 2.189 2.049 2.247 . 0 0 "[ . 1]" 1
114 1 53 ALA H 1 79 GLN HE21 . . 4.560 4.399 4.125 4.581 0.021 10 0 "[ . 1]" 1
115 1 52 LEU QD 1 53 ALA H . . 4.370 3.903 3.765 4.086 . 0 0 "[ . 1]" 1
116 1 53 ALA H 1 79 GLN HE22 . . 5.110 4.553 4.085 4.974 . 0 0 "[ . 1]" 1
117 1 138 ALA H 1 139 LEU QD . . 4.700 3.885 3.171 4.131 . 0 0 "[ . 1]" 1
118 1 137 THR HB 1 138 ALA H . . 4.160 3.075 2.600 3.853 . 0 0 "[ . 1]" 1
119 1 138 ALA H 1 138 ALA MB . . 2.920 2.178 2.063 2.275 . 0 0 "[ . 1]" 1
120 1 138 ALA H 1 139 LEU QB . . 4.620 4.350 4.131 4.853 0.233 1 0 "[ . 1]" 1
121 1 138 ALA H 1 138 ALA HA . . 2.940 2.866 2.840 2.893 . 0 0 "[ . 1]" 1
122 1 133 THR H 1 134 GLU H . . 4.430 4.300 4.109 4.432 0.002 4 0 "[ . 1]" 1
123 1 133 THR H 1 133 THR MG . . 4.590 2.830 1.954 3.956 . 0 0 "[ . 1]" 1
124 1 103 GLU QB 1 104 GLU H . . 3.450 2.896 2.623 3.461 0.011 6 0 "[ . 1]" 1
125 1 104 GLU H 1 104 GLU QG . . 4.150 2.012 1.915 2.136 . 0 0 "[ . 1]" 1
126 1 102 THR HA 1 104 GLU H . . 4.340 3.992 3.861 4.164 . 0 0 "[ . 1]" 1
127 1 103 GLU H 1 104 GLU H . . 4.130 2.738 2.691 2.837 . 0 0 "[ . 1]" 1
128 1 101 VAL QG 1 104 GLU H . . 5.320 5.017 4.797 5.318 . 0 0 "[ . 1]" 1
129 1 102 THR MG 1 104 GLU H . . 4.630 4.066 3.391 4.441 . 0 0 "[ . 1]" 1
130 1 91 ASN HD22 1 119 PRO QD . . 4.830 2.679 1.975 3.267 . 0 0 "[ . 1]" 1
131 1 91 ASN HD22 1 118 LYS HA . . 4.490 3.342 2.809 4.011 . 0 0 "[ . 1]" 1
132 1 91 ASN HD22 1 119 PRO QG . . 5.080 4.312 3.313 5.147 0.067 6 0 "[ . 1]" 1
133 1 36 SER QB 1 126 LEU H . . 4.260 3.813 3.346 4.356 0.096 9 0 "[ . 1]" 1
134 1 126 LEU H 1 126 LEU HB3 . . 4.070 3.210 3.047 3.407 . 0 0 "[ . 1]" 1
135 1 126 LEU H 1 126 LEU MD2 . . 4.910 4.644 4.079 4.945 0.035 3 0 "[ . 1]" 1
136 1 125 PHE HA 1 126 LEU H . . 3.380 2.152 2.139 2.215 . 0 0 "[ . 1]" 1
137 1 126 LEU H 1 126 LEU MD1 . . 4.910 4.432 4.089 4.973 0.063 10 0 "[ . 1]" 1
138 1 125 PHE H 1 126 LEU H . . 4.660 4.109 3.991 4.225 . 0 0 "[ . 1]" 1
139 1 125 PHE HD1 1 126 LEU H . . 4.010 2.562 2.013 3.032 . 0 0 "[ . 1]" 1
140 1 125 PHE HB3 1 126 LEU H . . 4.910 4.287 4.067 4.384 . 0 0 "[ . 1]" 1
141 1 125 PHE HB2 1 126 LEU H . . 4.910 4.438 4.305 4.581 . 0 0 "[ . 1]" 1
142 1 126 LEU H 1 126 LEU HB2 . . 4.070 3.388 2.714 3.719 . 0 0 "[ . 1]" 1
143 1 37 LEU H 1 96 TYR HE1 . . 5.180 4.469 4.021 5.198 0.018 4 0 "[ . 1]" 1
144 1 37 LEU H 1 37 LEU HB3 . . 4.070 2.715 2.568 2.950 . 0 0 "[ . 1]" 1
145 1 37 LEU H 1 37 LEU MD1 . . 4.840 3.647 1.768 4.718 . 0 0 "[ . 1]" 1
146 1 37 LEU H 1 125 PHE HE1 . . 5.500 5.444 5.059 5.547 0.047 9 0 "[ . 1]" 1
147 1 37 LEU H 1 96 TYR HD1 . . 4.460 4.023 3.636 4.491 0.031 4 0 "[ . 1]" 1
148 1 36 SER H 1 37 LEU H . . 4.700 4.112 3.921 4.314 . 0 0 "[ . 1]" 1
149 1 37 LEU H 1 37 LEU MD2 . . 4.840 3.867 3.520 4.250 . 0 0 "[ . 1]" 1
150 1 37 LEU H 1 96 TYR HA . . 4.510 4.173 3.806 4.496 . 0 0 "[ . 1]" 1
151 1 37 LEU H 1 125 PHE HD1 . . 5.220 4.790 4.494 5.250 0.030 10 0 "[ . 1]" 1
152 1 37 LEU H 1 38 ILE MD . . 3.760 3.322 2.833 3.693 . 0 0 "[ . 1]" 1
153 1 37 LEU H 1 38 ILE H . . 5.070 4.275 4.121 4.418 . 0 0 "[ . 1]" 1
154 1 37 LEU H 1 37 LEU HB2 . . 4.070 3.572 3.229 3.903 . 0 0 "[ . 1]" 1
155 1 37 LEU H 1 37 LEU HG . . 5.180 4.275 2.786 4.938 . 0 0 "[ . 1]" 1
156 1 111 ASN H 1 112 ILE MD . . 3.640 3.434 2.565 3.663 0.023 5 0 "[ . 1]" 1
157 1 110 VAL HA 1 111 ASN H . . 3.020 2.204 2.142 2.273 . 0 0 "[ . 1]" 1
158 1 111 ASN H 1 112 ILE HA . . 5.500 5.102 4.958 5.304 . 0 0 "[ . 1]" 1
159 1 111 ASN H 1 111 ASN QB . . 3.550 2.878 2.529 3.098 . 0 0 "[ . 1]" 1
160 1 110 VAL HB 1 111 ASN H . . 4.580 4.397 4.291 4.490 . 0 0 "[ . 1]" 1
161 1 28 ARG QB 1 29 GLY H . . 3.590 2.757 2.162 3.756 0.166 5 0 "[ . 1]" 1
162 1 29 GLY H 1 30 ASN H . . 4.690 4.587 4.432 4.647 . 0 0 "[ . 1]" 1
163 1 28 ARG HA 1 29 GLY H . . 3.430 2.337 2.148 2.556 . 0 0 "[ . 1]" 1
164 1 32 THR H 1 32 THR MG . . 4.110 2.925 2.263 3.949 . 0 0 "[ . 1]" 1
165 1 32 THR H 1 32 THR HB . . 4.200 3.630 3.191 3.835 . 0 0 "[ . 1]" 1
166 1 32 THR H 1 33 SER H . . 4.380 4.323 4.159 4.391 0.011 9 0 "[ . 1]" 1
167 1 83 LYS H 1 83 LYS QB . . 2.910 2.282 2.080 2.479 . 0 0 "[ . 1]" 1
168 1 83 LYS H 1 83 LYS QE . . 5.230 4.867 3.526 5.268 0.038 4 0 "[ . 1]" 1
169 1 83 LYS H 1 83 LYS QG . . 3.260 2.576 2.103 3.110 . 0 0 "[ . 1]" 1
170 1 83 LYS H 1 84 LEU H . . 3.390 2.761 2.741 2.774 . 0 0 "[ . 1]" 1
171 1 82 LEU H 1 83 LYS H . . 3.650 2.615 2.555 2.691 . 0 0 "[ . 1]" 1
172 1 82 LEU HB3 1 83 LYS H . . 4.120 3.058 2.588 3.765 . 0 0 "[ . 1]" 1
173 1 82 LEU HB2 1 83 LYS H . . 4.120 3.237 2.530 4.152 0.032 2 0 "[ . 1]" 1
174 1 82 LEU QD 1 83 LYS H . . 4.030 3.798 2.450 4.113 0.083 3 0 "[ . 1]" 1
175 1 21 ILE HB 1 22 LYS H . . 3.940 3.673 3.581 3.746 . 0 0 "[ . 1]" 1
176 1 21 ILE H 1 22 LYS H . . 3.800 2.888 2.837 2.982 . 0 0 "[ . 1]" 1
177 1 22 LYS H 1 22 LYS QG . . 4.120 3.372 2.508 4.037 . 0 0 "[ . 1]" 1
178 1 21 ILE MG 1 22 LYS H . . 3.860 1.789 1.684 1.978 . 0 0 "[ . 1]" 1
179 1 21 ILE MD 1 22 LYS H . . 4.570 4.021 3.148 4.742 0.172 3 0 "[ . 1]" 1
180 1 22 LYS H 1 22 LYS QB . . 3.040 2.210 2.157 2.305 . 0 0 "[ . 1]" 1
181 1 30 ASN QD 1 99 THR MG . . 5.020 5.236 4.371 7.062 2.042 8 2 "[- . + 1]" 1
182 1 30 ASN HA 1 30 ASN QD . . 4.150 3.856 3.685 4.064 . 0 0 "[ . 1]" 1
183 1 30 ASN QD 1 101 VAL QG . . 4.070 2.661 1.924 3.682 . 0 0 "[ . 1]" 1
184 1 68 ARG QB 1 69 LEU H . . 3.800 2.922 2.546 3.518 . 0 0 "[ . 1]" 1
185 1 69 LEU H 1 69 LEU HB2 . . 3.540 2.365 2.166 2.717 . 0 0 "[ . 1]" 1
186 1 69 LEU H 1 69 LEU QD . . 3.740 3.375 2.162 3.742 0.002 9 0 "[ . 1]" 1
187 1 68 ARG QG 1 69 LEU H . . 4.970 3.642 2.177 4.190 . 0 0 "[ . 1]" 1
188 1 69 LEU H 1 69 LEU HB3 . . 3.540 2.965 2.311 3.540 0.000 2 0 "[ . 1]" 1
189 1 10 ARG H 1 10 ARG QB . . 3.150 2.318 2.091 2.520 . 0 0 "[ . 1]" 1
190 1 9 ASP QB 1 10 ARG H . . 3.550 2.569 2.017 3.076 . 0 0 "[ . 1]" 1
191 1 10 ARG H 1 10 ARG QG . . 4.170 2.635 2.026 3.709 . 0 0 "[ . 1]" 1
192 1 67 ASN QB 1 68 ARG H . . 4.130 2.381 2.352 2.410 . 0 0 "[ . 1]" 1
193 1 68 ARG H 1 69 LEU H . . 3.850 2.545 2.502 2.623 . 0 0 "[ . 1]" 1
194 1 68 ARG H 1 70 SER H . . 4.810 4.620 4.584 4.649 . 0 0 "[ . 1]" 1
195 1 68 ARG H 1 68 ARG QB . . 3.510 2.239 2.199 2.264 . 0 0 "[ . 1]" 1
196 1 62 ILE MG 1 68 ARG H . . 4.620 4.400 4.172 4.642 0.022 1 0 "[ . 1]" 1
197 1 68 ARG H 1 68 ARG QG . . 4.180 3.697 2.632 3.979 . 0 0 "[ . 1]" 1
198 1 62 ILE MD 1 68 ARG H . . 4.050 5.813 5.660 5.951 1.901 10 10 [********-+] 1
199 1 11 ASN QB 1 12 VAL H . . 3.570 2.946 2.441 3.465 . 0 0 "[ . 1]" 1
200 1 12 VAL H 1 12 VAL HB . . 3.220 2.681 2.518 3.505 0.285 7 0 "[ . 1]" 1
201 1 12 VAL H 1 12 VAL QG . . 3.130 2.093 1.713 2.295 . 0 0 "[ . 1]" 1
202 1 11 ASN H 1 12 VAL H . . 3.430 2.800 2.581 2.888 . 0 0 "[ . 1]" 1
203 1 44 GLN HB3 1 44 GLN HE22 . . 5.500 4.937 4.821 5.083 . 0 0 "[ . 1]" 1
204 1 44 GLN HB2 1 44 GLN HE22 . . 5.500 3.794 3.443 4.176 . 0 0 "[ . 1]" 1
205 1 44 GLN HA 1 44 GLN HE22 . . 4.140 3.190 2.882 3.595 . 0 0 "[ . 1]" 1
206 1 8 ALA HA 1 11 ASN HD22 . . 4.530 3.315 2.503 4.267 . 0 0 "[ . 1]" 1
207 1 11 ASN QB 1 11 ASN HD22 . . 3.670 3.222 3.213 3.235 . 0 0 "[ . 1]" 1
208 1 117 PHE H 1 118 LYS QG . . 4.850 4.691 3.611 5.180 0.330 1 0 "[ . 1]" 1
209 1 64 SER HA 1 67 ASN HD22 . . 5.500 5.518 5.459 5.563 0.063 5 0 "[ . 1]" 1
210 1 64 SER HB2 1 67 ASN HD22 . . 4.550 2.651 2.533 2.766 . 0 0 "[ . 1]" 1
211 1 67 ASN HA 1 67 ASN HD22 . . 4.900 3.877 3.765 3.984 . 0 0 "[ . 1]" 1
212 1 62 ILE MG 1 67 ASN HD22 . . 4.740 2.707 2.485 2.929 . 0 0 "[ . 1]" 1
213 1 62 ILE MD 1 67 ASN HD22 . . 5.130 4.862 4.659 5.074 . 0 0 "[ . 1]" 1
214 1 66 VAL QG 1 67 ASN HD22 . . 5.350 3.118 2.603 3.938 . 0 0 "[ . 1]" 1
215 1 17 ILE H 1 17 ILE MD . . 3.760 3.352 1.971 4.135 0.375 3 0 "[ . 1]" 1
216 1 15 TRP HA 1 17 ILE H . . 4.400 4.358 4.239 4.461 0.061 8 0 "[ . 1]" 1
217 1 17 ILE H 1 17 ILE QG . . 3.730 3.132 1.896 4.081 0.351 1 0 "[ . 1]" 1
218 1 14 ILE HA 1 17 ILE H . . 3.400 3.485 3.305 3.592 0.192 4 0 "[ . 1]" 1
219 1 17 ILE H 1 17 ILE HB . . 3.410 2.677 2.221 3.633 0.223 7 0 "[ . 1]" 1
220 1 17 ILE H 1 17 ILE MG . . 3.930 2.881 2.103 3.778 . 0 0 "[ . 1]" 1
221 1 16 LYS H 1 17 ILE H . . 3.570 2.491 2.389 2.629 . 0 0 "[ . 1]" 1
222 1 16 LYS QB 1 17 ILE H . . 3.330 3.051 2.607 3.534 0.204 7 0 "[ . 1]" 1
223 1 139 LEU H 1 139 LEU QD . . 3.440 2.111 1.861 2.278 . 0 0 "[ . 1]" 1
224 1 138 ALA MB 1 139 LEU H . . 3.320 2.351 2.083 2.730 . 0 0 "[ . 1]" 1
225 1 139 LEU H 1 140 LEU H . . 3.290 2.874 2.603 3.012 . 0 0 "[ . 1]" 1
226 1 139 LEU H 1 139 LEU HG . . 4.240 3.914 3.558 4.233 . 0 0 "[ . 1]" 1
227 1 138 ALA H 1 139 LEU H . . 2.790 2.658 2.399 2.824 0.034 1 0 "[ . 1]" 1
228 1 139 LEU H 1 139 LEU QB . . 3.020 2.184 2.147 2.281 . 0 0 "[ . 1]" 1
229 1 58 THR H 1 60 SER H . . 4.180 3.503 3.418 3.630 . 0 0 "[ . 1]" 1
230 1 58 THR H 1 59 ALA H . . 3.490 2.701 2.650 2.771 . 0 0 "[ . 1]" 1
231 1 58 THR H 1 58 THR MG . . 3.920 2.552 2.290 3.689 . 0 0 "[ . 1]" 1
232 1 58 THR H 1 58 THR HB . . 2.710 3.557 2.959 3.655 0.945 1 9 "[+****** *-]" 1
233 1 114 PHE HB2 1 115 GLU H . . 3.710 2.402 1.997 3.020 . 0 0 "[ . 1]" 1
234 1 115 GLU H 1 115 GLU QG . . 3.790 2.362 1.791 3.376 . 0 0 "[ . 1]" 1
235 1 114 PHE QD 1 115 GLU H . . 4.370 3.885 3.583 4.470 0.100 4 0 "[ . 1]" 1
236 1 114 PHE HB3 1 115 GLU H . . 3.710 3.440 3.034 3.746 0.036 1 0 "[ . 1]" 1
237 1 114 PHE HA 1 115 GLU H . . 3.160 2.454 2.228 2.631 . 0 0 "[ . 1]" 1
238 1 115 GLU H 1 115 GLU QB . . 3.850 2.669 2.237 3.028 . 0 0 "[ . 1]" 1
239 1 95 VAL H 1 95 VAL HB . . 3.920 3.114 2.656 3.767 . 0 0 "[ . 1]" 1
240 1 94 VAL HA 1 95 VAL H . . 3.560 2.178 2.141 2.284 . 0 0 "[ . 1]" 1
241 1 94 VAL QG 1 95 VAL H . . 3.620 3.229 2.295 3.664 0.044 4 0 "[ . 1]" 1
242 1 95 VAL H 1 95 VAL MG2 . . 4.620 2.772 1.917 3.946 . 0 0 "[ . 1]" 1
243 1 95 VAL H 1 95 VAL MG1 . . 4.620 2.963 1.942 3.898 . 0 0 "[ . 1]" 1
244 1 37 LEU HG 1 95 VAL H . . 5.500 4.799 2.446 5.630 0.130 4 0 "[ . 1]" 1
245 1 103 GLU H 1 103 GLU QB . . 3.370 2.289 2.137 2.630 . 0 0 "[ . 1]" 1
246 1 103 GLU H 1 103 GLU QG . . 4.080 3.173 2.017 4.052 . 0 0 "[ . 1]" 1
247 1 102 THR HB 1 103 GLU H . . 3.680 3.093 2.830 3.591 . 0 0 "[ . 1]" 1
248 1 102 THR MG 1 103 GLU H . . 4.160 4.107 4.025 4.151 . 0 0 "[ . 1]" 1
249 1 69 LEU H 1 70 SER H . . 3.560 2.813 2.728 2.952 . 0 0 "[ . 1]" 1
250 1 70 SER H 1 70 SER QB . . 3.450 2.304 2.141 2.529 . 0 0 "[ . 1]" 1
251 1 69 LEU HB2 1 70 SER H . . 4.060 3.085 2.341 3.751 . 0 0 "[ . 1]" 1
252 1 69 LEU HG 1 70 SER H . . 4.540 4.137 2.890 4.835 0.295 10 0 "[ . 1]" 1
253 1 67 ASN HA 1 70 SER H . . 4.120 4.067 4.018 4.157 0.037 10 0 "[ . 1]" 1
254 1 69 LEU QD 1 70 SER H . . 3.800 3.515 3.135 3.820 0.020 2 0 "[ . 1]" 1
255 1 70 SER H 1 71 VAL H . . 3.550 3.035 3.005 3.087 . 0 0 "[ . 1]" 1
256 1 66 VAL HA 1 70 SER H . . 3.940 3.570 3.456 3.692 . 0 0 "[ . 1]" 1
257 1 70 SER H 1 72 LEU H . . 5.430 3.939 3.869 4.088 . 0 0 "[ . 1]" 1
258 1 66 VAL QG 1 70 SER H . . 4.840 4.373 3.713 4.703 . 0 0 "[ . 1]" 1
259 1 70 SER H 1 71 VAL QG . . 5.200 4.443 4.378 4.500 . 0 0 "[ . 1]" 1
260 1 69 LEU HB3 1 70 SER H . . 4.060 2.475 2.129 3.009 . 0 0 "[ . 1]" 1
261 1 114 PHE H 1 114 PHE HE1 . . 4.900 4.873 4.600 5.363 0.463 9 0 "[ . 1]" 1
262 1 113 ASP HA 1 114 PHE H . . 3.340 2.258 2.157 2.445 . 0 0 "[ . 1]" 1
263 1 113 ASP HB3 1 114 PHE H . . 4.250 3.913 3.187 4.261 0.011 4 0 "[ . 1]" 1
264 1 94 VAL QG 1 114 PHE H . . 3.900 2.822 2.141 3.947 0.047 5 0 "[ . 1]" 1
265 1 114 PHE H 1 114 PHE QD . . 4.060 3.296 3.092 3.428 . 0 0 "[ . 1]" 1
266 1 114 PHE H 1 114 PHE HZ . . 5.500 5.521 5.258 5.753 0.253 2 0 "[ . 1]" 1
267 1 93 LEU HA 1 114 PHE H . . 5.380 4.975 4.594 5.390 0.010 7 0 "[ . 1]" 1
268 1 93 LEU HG 1 114 PHE H . . 5.500 5.057 4.655 5.553 0.053 10 0 "[ . 1]" 1
269 1 113 ASP HB2 1 114 PHE H . . 4.250 2.987 2.357 3.880 . 0 0 "[ . 1]" 1
270 1 100 ILE H 1 101 VAL H . . 4.780 4.529 4.481 4.574 . 0 0 "[ . 1]" 1
271 1 100 ILE H 1 100 ILE HG13 . . 3.900 2.303 1.933 3.780 . 0 0 "[ . 1]" 1
272 1 99 THR MG 1 100 ILE H . . 3.660 2.879 2.505 3.158 . 0 0 "[ . 1]" 1
273 1 100 ILE H 1 100 ILE HG12 . . 3.900 2.913 2.256 3.711 . 0 0 "[ . 1]" 1
274 1 99 THR H 1 100 ILE H . . 4.870 4.300 4.059 4.544 . 0 0 "[ . 1]" 1
275 1 99 THR HB 1 100 ILE H . . 4.640 4.209 3.887 4.370 . 0 0 "[ . 1]" 1
276 1 99 THR HA 1 100 ILE H . . 3.370 2.159 2.143 2.190 . 0 0 "[ . 1]" 1
277 1 100 ILE H 1 100 ILE MD . . 3.930 3.452 1.840 3.758 . 0 0 "[ . 1]" 1
278 1 100 ILE H 1 100 ILE HB . . 4.080 3.656 3.632 3.690 . 0 0 "[ . 1]" 1
279 1 100 ILE H 1 100 ILE MG . . 3.970 2.512 1.927 2.985 . 0 0 "[ . 1]" 1
280 1 3 ASP QB 1 4 ASP H . . 3.590 2.716 2.101 3.609 0.019 4 0 "[ . 1]" 1
281 1 4 ASP H 1 5 PRO QD . . 4.360 3.890 2.499 4.367 0.007 10 0 "[ . 1]" 1
282 1 8 ALA H 1 8 ALA MB . . 2.550 2.106 2.045 2.204 . 0 0 "[ . 1]" 1
283 1 7 ALA H 1 8 ALA H . . 2.850 2.739 2.624 2.834 . 0 0 "[ . 1]" 1
284 1 20 LEU H 1 20 LEU QD . . 3.740 3.375 2.345 3.752 0.012 8 0 "[ . 1]" 1
285 1 17 ILE MD 1 20 LEU H . . 5.500 5.408 5.122 5.577 0.077 4 0 "[ . 1]" 1
286 1 20 LEU H 1 21 ILE H . . 3.880 2.573 2.464 2.734 . 0 0 "[ . 1]" 1
287 1 20 LEU H 1 20 LEU HB2 . . 3.610 2.398 2.160 2.704 . 0 0 "[ . 1]" 1
288 1 20 LEU H 1 21 ILE MG . . 3.940 3.819 3.591 3.940 . 0 0 "[ . 1]" 1
289 1 20 LEU H 1 20 LEU HG . . 4.690 4.206 2.893 4.572 . 0 0 "[ . 1]" 1
290 1 17 ILE HA 1 20 LEU H . . 3.830 3.839 3.581 4.216 0.386 8 0 "[ . 1]" 1
291 1 19 LYS QG 1 20 LEU H . . 4.050 3.174 1.952 3.992 . 0 0 "[ . 1]" 1
292 1 20 LEU H 1 20 LEU HB3 . . 3.610 2.893 2.441 3.546 . 0 0 "[ . 1]" 1
293 1 19 LYS QB 1 20 LEU H . . 3.560 2.765 2.454 3.431 . 0 0 "[ . 1]" 1
294 1 71 VAL QG 1 75 ILE H . . 3.450 3.051 2.871 3.187 . 0 0 "[ . 1]" 1
295 1 74 ALA H 1 75 ILE H . . 3.850 2.571 2.524 2.616 . 0 0 "[ . 1]" 1
296 1 73 GLY H 1 75 ILE H . . 4.470 4.136 4.087 4.235 . 0 0 "[ . 1]" 1
297 1 75 ILE H 1 75 ILE HB . . 3.830 2.344 2.237 2.569 . 0 0 "[ . 1]" 1
298 1 74 ALA MB 1 75 ILE H . . 4.160 2.488 2.350 2.598 . 0 0 "[ . 1]" 1
299 1 75 ILE H 1 75 ILE MG . . 4.050 2.418 1.988 2.653 . 0 0 "[ . 1]" 1
300 1 86 ASN QB 1 86 ASN HD22 . . 3.630 3.266 3.224 3.403 . 0 0 "[ . 1]" 1
301 1 58 THR H 1 61 ASN HD22 . . 5.500 5.512 5.278 5.700 0.200 5 0 "[ . 1]" 1
302 1 61 ASN HA 1 61 ASN HD22 . . 5.340 4.821 4.291 5.297 . 0 0 "[ . 1]" 1
303 1 58 THR MG 1 61 ASN HD22 . . 4.780 4.377 2.862 5.022 0.242 5 0 "[ . 1]" 1
304 1 61 ASN QB 1 61 ASN HD22 . . 3.670 3.229 3.227 3.231 . 0 0 "[ . 1]" 1
305 1 84 LEU HB3 1 85 TYR H . . 4.400 3.886 3.655 4.265 . 0 0 "[ . 1]" 1
306 1 85 TYR H 1 85 TYR QE . . 5.500 4.661 4.557 4.730 . 0 0 "[ . 1]" 1
307 1 84 LEU HB2 1 85 TYR H . . 4.400 3.942 3.600 4.262 . 0 0 "[ . 1]" 1
308 1 85 TYR H 1 85 TYR QD . . 3.290 2.937 2.620 3.070 . 0 0 "[ . 1]" 1
309 1 85 TYR H 1 85 TYR QB . . 3.260 2.892 2.655 3.016 . 0 0 "[ . 1]" 1
310 1 84 LEU H 1 85 TYR H . . 3.520 2.655 2.591 2.679 . 0 0 "[ . 1]" 1
311 1 84 LEU HA 1 85 TYR H . . 3.380 3.216 3.195 3.235 . 0 0 "[ . 1]" 1
312 1 25 GLU HA 1 26 ALA H . . 3.490 3.440 3.420 3.469 . 0 0 "[ . 1]" 1
313 1 25 GLU QG 1 26 ALA H . . 4.140 3.703 2.371 4.673 0.533 3 1 "[ + . 1]" 1
314 1 26 ALA H 1 26 ALA MB . . 2.800 2.165 2.064 2.276 . 0 0 "[ . 1]" 1
315 1 24 LEU H 1 26 ALA H . . 4.080 3.705 3.582 3.833 . 0 0 "[ . 1]" 1
316 1 25 GLU H 1 26 ALA H . . 3.610 2.712 2.622 2.815 . 0 0 "[ . 1]" 1
317 1 24 LEU QD 1 26 ALA H . . 4.780 4.146 3.819 4.809 0.029 8 0 "[ . 1]" 1
318 1 25 GLU QB 1 26 ALA H . . 3.710 3.170 2.883 3.601 . 0 0 "[ . 1]" 1
319 1 50 LYS H 1 50 LYS QB . . 2.930 2.540 2.489 2.578 . 0 0 "[ . 1]" 1
320 1 49 ALA H 1 50 LYS H . . 3.800 2.890 2.784 2.958 . 0 0 "[ . 1]" 1
321 1 50 LYS H 1 52 LEU H . . 4.960 4.471 4.340 4.611 . 0 0 "[ . 1]" 1
322 1 50 LYS H 1 50 LYS QD . . 3.910 3.693 3.325 3.899 . 0 0 "[ . 1]" 1
323 1 50 LYS H 1 51 MET H . . 3.560 2.936 2.871 2.976 . 0 0 "[ . 1]" 1
324 1 49 ALA MB 1 50 LYS H . . 2.720 2.448 2.426 2.484 . 0 0 "[ . 1]" 1
325 1 50 LYS H 1 52 LEU QD . . 5.290 4.615 4.263 4.976 . 0 0 "[ . 1]" 1
326 1 50 LYS H 1 50 LYS QG . . 2.660 2.027 1.929 2.145 . 0 0 "[ . 1]" 1
327 1 43 ASP H 1 43 ASP QB . . 3.170 2.698 2.473 2.975 . 0 0 "[ . 1]" 1
328 1 42 LYS QB 1 43 ASP H . . 3.850 3.865 3.795 4.043 0.193 4 0 "[ . 1]" 1
329 1 42 LYS H 1 43 ASP H . . 3.650 3.068 2.947 3.150 . 0 0 "[ . 1]" 1
330 1 42 LYS QG 1 43 ASP H . . 4.610 4.488 3.845 4.751 0.141 6 0 "[ . 1]" 1
331 1 79 GLN H 1 79 GLN HB2 . . 4.150 2.119 2.092 2.157 . 0 0 "[ . 1]" 1
332 1 78 VAL MG1 1 79 GLN H . . 4.810 2.666 1.854 3.928 . 0 0 "[ . 1]" 1
333 1 78 VAL MG2 1 79 GLN H . . 4.810 3.337 1.897 4.037 . 0 0 "[ . 1]" 1
334 1 79 GLN H 1 80 GLN HA . . 5.500 5.642 5.629 5.657 0.157 3 0 "[ . 1]" 1
335 1 79 GLN H 1 79 GLN HE21 . . 5.330 4.901 4.161 5.364 0.034 10 0 "[ . 1]" 1
336 1 77 SER H 1 79 GLN H . . 4.620 4.024 3.870 4.146 . 0 0 "[ . 1]" 1
337 1 79 GLN H 1 81 ARG H . . 4.080 3.853 3.820 3.887 . 0 0 "[ . 1]" 1
338 1 3 ASP H 1 4 ASP H . . 3.960 2.711 2.485 3.011 . 0 0 "[ . 1]" 1
339 1 3 ASP H 1 4 ASP HA . . 5.330 5.112 4.891 5.288 . 0 0 "[ . 1]" 1
340 1 108 LYS QB 1 109 LYS H . . 3.530 3.350 2.639 3.886 0.356 5 0 "[ . 1]" 1
341 1 99 THR MG 1 109 LYS H . . 4.400 3.369 2.641 3.845 . 0 0 "[ . 1]" 1
342 1 108 LYS HA 1 109 LYS H . . 2.860 2.295 2.176 2.352 . 0 0 "[ . 1]" 1
343 1 109 LYS H 1 109 LYS QB . . 3.010 2.966 2.389 3.092 0.082 8 0 "[ . 1]" 1
344 1 108 LYS H 1 109 LYS H . . 4.460 4.270 3.501 4.359 . 0 0 "[ . 1]" 1
345 1 71 VAL QG 1 74 ALA H . . 4.260 4.141 4.032 4.219 . 0 0 "[ . 1]" 1
346 1 73 GLY QA 1 74 ALA H . . 3.490 2.696 2.621 2.735 . 0 0 "[ . 1]" 1
347 1 74 ALA H 1 75 ILE HB . . 5.030 4.733 4.598 5.026 . 0 0 "[ . 1]" 1
348 1 74 ALA H 1 74 ALA MB . . 3.130 2.166 2.048 2.259 . 0 0 "[ . 1]" 1
349 1 72 LEU H 1 74 ALA H . . 4.680 4.266 4.118 4.479 . 0 0 "[ . 1]" 1
350 1 94 VAL H 1 95 VAL H . . 4.620 4.211 3.962 4.451 . 0 0 "[ . 1]" 1
351 1 94 VAL H 1 114 PHE H . . 4.280 3.319 2.956 3.720 . 0 0 "[ . 1]" 1
352 1 94 VAL H 1 94 VAL QG . . 3.560 2.290 1.963 2.905 . 0 0 "[ . 1]" 1
353 1 93 LEU HG 1 94 VAL H . . 3.980 2.937 2.727 3.282 . 0 0 "[ . 1]" 1
354 1 93 LEU H 1 94 VAL H . . 4.320 4.187 4.158 4.240 . 0 0 "[ . 1]" 1
355 1 94 VAL H 1 94 VAL HB . . 3.960 3.494 2.627 3.891 . 0 0 "[ . 1]" 1
356 1 59 ALA H 1 59 ALA MB . . 3.210 2.141 2.029 2.213 . 0 0 "[ . 1]" 1
357 1 58 THR HB 1 59 ALA H . . 3.350 3.138 2.077 3.387 0.037 2 0 "[ . 1]" 1
358 1 59 ALA H 1 61 ASN H . . 4.650 4.394 4.283 4.490 . 0 0 "[ . 1]" 1
359 1 65 ARG H 1 65 ARG QG . . 4.610 2.994 1.958 3.974 . 0 0 "[ . 1]" 1
360 1 64 SER HB3 1 65 ARG H . . 3.860 3.727 3.667 3.782 . 0 0 "[ . 1]" 1
361 1 65 ARG H 1 65 ARG QB . . 3.800 2.335 2.113 2.581 . 0 0 "[ . 1]" 1
362 1 64 SER HB2 1 65 ARG H . . 4.550 4.426 4.212 4.546 . 0 0 "[ . 1]" 1
363 1 65 ARG H 1 65 ARG QD . . 5.210 3.736 2.171 4.655 . 0 0 "[ . 1]" 1
364 1 65 ARG H 1 66 VAL QG . . 4.860 3.788 3.649 4.075 . 0 0 "[ . 1]" 1
365 1 112 ILE H 1 112 ILE HG13 . . 4.280 4.256 4.134 4.377 0.097 8 0 "[ . 1]" 1
366 1 112 ILE H 1 112 ILE MD . . 4.160 3.560 2.477 3.810 . 0 0 "[ . 1]" 1
367 1 96 TYR H 1 112 ILE H . . 4.040 3.581 3.236 3.908 . 0 0 "[ . 1]" 1
368 1 112 ILE H 1 112 ILE HG12 . . 4.280 3.050 2.684 4.527 0.247 6 0 "[ . 1]" 1
369 1 112 ILE H 1 113 ASP H . . 4.620 4.260 4.235 4.287 . 0 0 "[ . 1]" 1
370 1 112 ILE H 1 112 ILE MG . . 3.970 3.910 3.806 3.952 . 0 0 "[ . 1]" 1
371 1 111 ASN QB 1 112 ILE H . . 3.840 3.391 3.247 3.457 . 0 0 "[ . 1]" 1
372 1 112 ILE H 1 112 ILE HB . . 4.160 2.806 2.667 2.899 . 0 0 "[ . 1]" 1
373 1 34 MET QB 1 128 ASP H . . 4.580 3.446 3.235 3.594 . 0 0 "[ . 1]" 1
374 1 128 ASP H 1 129 ASN H . . 4.440 4.203 4.153 4.312 . 0 0 "[ . 1]" 1
375 1 44 GLN H 1 44 GLN HB3 . . 3.690 2.976 2.794 3.134 . 0 0 "[ . 1]" 1
376 1 43 ASP QB 1 44 GLN H . . 3.660 2.741 2.226 3.029 . 0 0 "[ . 1]" 1
377 1 43 ASP H 1 44 GLN H . . 4.490 4.422 4.401 4.445 . 0 0 "[ . 1]" 1
378 1 44 GLN H 1 44 GLN HB2 . . 3.690 2.864 2.682 3.013 . 0 0 "[ . 1]" 1
379 1 44 GLN H 1 45 ILE H . . 4.890 4.383 4.330 4.440 . 0 0 "[ . 1]" 1
380 1 43 ASP HA 1 44 GLN H . . 3.470 2.490 2.260 2.546 . 0 0 "[ . 1]" 1
381 1 44 GLN H 1 44 GLN QG . . 4.420 4.273 4.230 4.327 . 0 0 "[ . 1]" 1
382 1 44 GLN H 1 47 ARG H . . 4.570 4.155 4.048 4.383 . 0 0 "[ . 1]" 1
383 1 139 LEU QB 1 140 LEU H . . 3.480 2.527 2.350 3.440 . 0 0 "[ . 1]" 1
384 1 140 LEU H 1 140 LEU QB . . 3.710 2.361 2.108 2.516 . 0 0 "[ . 1]" 1
385 1 140 LEU H 1 140 LEU QD . . 3.320 2.940 2.092 3.671 0.351 7 0 "[ . 1]" 1
386 1 140 LEU H 1 140 LEU HG . . 3.580 2.663 2.189 3.776 0.196 7 0 "[ . 1]" 1
387 1 122 THR H 1 123 SER H . . 4.730 4.405 4.223 4.637 . 0 0 "[ . 1]" 1
388 1 122 THR HA 1 123 SER H . . 2.720 2.243 2.143 2.595 . 0 0 "[ . 1]" 1
389 1 122 THR MG 1 123 SER H . . 3.940 3.977 3.539 4.210 0.270 2 0 "[ . 1]" 1
390 1 123 SER H 1 123 SER QB . . 3.120 2.820 2.429 3.126 0.006 1 0 "[ . 1]" 1
391 1 123 SER H 1 124 LEU H . . 4.610 4.481 4.313 4.595 . 0 0 "[ . 1]" 1
392 1 120 ILE HA 1 121 ASN H . . 3.070 2.160 2.139 2.205 . 0 0 "[ . 1]" 1
393 1 120 ILE MG 1 121 ASN H . . 3.720 3.540 2.008 3.840 0.120 10 0 "[ . 1]" 1
394 1 121 ASN H 1 121 ASN HB2 . . 4.010 2.284 2.209 2.320 . 0 0 "[ . 1]" 1
395 1 120 ILE HB 1 121 ASN H . . 4.160 3.463 3.029 4.164 0.004 4 0 "[ . 1]" 1
396 1 121 ASN H 1 121 ASN HB3 . . 4.010 3.554 3.507 3.573 . 0 0 "[ . 1]" 1
397 1 85 TYR QB 1 86 ASN H . . 4.100 2.883 2.265 3.770 . 0 0 "[ . 1]" 1
398 1 85 TYR H 1 86 ASN H . . 4.500 4.065 2.167 4.363 . 0 0 "[ . 1]" 1
399 1 85 TYR QD 1 86 ASN H . . 5.500 4.389 3.675 4.890 . 0 0 "[ . 1]" 1
400 1 85 TYR HA 1 86 ASN H . . 3.510 2.376 2.195 3.566 0.056 1 0 "[ . 1]" 1
401 1 111 ASN H 1 111 ASN HD22 . . 5.120 3.553 2.749 4.430 . 0 0 "[ . 1]" 1
402 1 111 ASN HA 1 111 ASN HD22 . . 5.270 5.116 4.881 5.366 0.096 9 0 "[ . 1]" 1
403 1 77 SER HA 1 111 ASN HD22 . . 4.930 4.114 3.456 4.490 . 0 0 "[ . 1]" 1
404 1 77 SER QB 1 111 ASN HD22 . . 4.680 2.635 1.892 3.629 . 0 0 "[ . 1]" 1
405 1 111 ASN QB 1 111 ASN HD22 . . 3.810 3.306 3.213 3.414 . 0 0 "[ . 1]" 1
406 1 81 ARG QD 1 111 ASN HD22 . . 5.500 3.280 2.728 3.858 . 0 0 "[ . 1]" 1
407 1 15 TRP H 1 15 TRP HE3 . . 5.030 4.678 4.467 4.790 . 0 0 "[ . 1]" 1
408 1 15 TRP H 1 15 TRP QB . . 3.450 2.251 2.207 2.288 . 0 0 "[ . 1]" 1
409 1 15 TRP H 1 15 TRP HD1 . . 5.180 4.960 4.843 5.071 . 0 0 "[ . 1]" 1
410 1 18 LYS QB 1 19 LYS H . . 3.700 3.438 2.862 3.702 0.002 1 0 "[ . 1]" 1
411 1 19 LYS H 1 20 LEU H . . 3.200 2.493 2.333 2.876 . 0 0 "[ . 1]" 1
412 1 18 LYS QG 1 19 LYS H . . 3.580 2.683 1.781 4.219 0.639 4 1 "[ +. 1]" 1
413 1 19 LYS H 1 19 LYS QB . . 2.980 2.275 2.217 2.547 . 0 0 "[ . 1]" 1
414 1 25 GLU HA 1 27 ALA H . . 4.590 4.331 3.947 4.510 . 0 0 "[ . 1]" 1
415 1 26 ALA H 1 27 ALA H . . 3.150 2.510 2.439 2.592 . 0 0 "[ . 1]" 1
416 1 25 GLU H 1 27 ALA H . . 4.640 4.407 4.185 4.470 . 0 0 "[ . 1]" 1
417 1 27 ALA H 1 28 ARG HA . . 5.300 4.978 4.792 5.304 0.003 5 0 "[ . 1]" 1
418 1 24 LEU QD 1 27 ALA H . . 4.750 3.864 3.450 4.434 . 0 0 "[ . 1]" 1
419 1 26 ALA MB 1 27 ALA H . . 3.450 2.654 2.521 2.901 . 0 0 "[ . 1]" 1
420 1 27 ALA H 1 27 ALA MB . . 3.590 2.438 2.155 2.589 . 0 0 "[ . 1]" 1
421 1 26 ALA HA 1 27 ALA H . . 3.560 3.527 3.464 3.540 . 0 0 "[ . 1]" 1
422 1 78 VAL H 1 79 GLN HB2 . . 4.680 4.476 4.336 4.664 . 0 0 "[ . 1]" 1
423 1 78 VAL H 1 79 GLN H . . 3.780 2.689 2.602 2.886 . 0 0 "[ . 1]" 1
424 1 78 VAL H 1 78 VAL HB . . 3.800 2.709 2.220 3.616 . 0 0 "[ . 1]" 1
425 1 77 SER QB 1 78 VAL H . . 3.960 2.461 2.172 2.594 . 0 0 "[ . 1]" 1
426 1 32 THR MG 1 99 THR H . . 4.240 3.185 1.938 4.263 0.023 5 0 "[ . 1]" 1
427 1 99 THR H 1 99 THR MG . . 4.590 3.830 3.734 3.903 . 0 0 "[ . 1]" 1
428 1 99 THR H 1 99 THR HB . . 3.720 2.716 2.537 2.895 . 0 0 "[ . 1]" 1
429 1 98 GLY QA 1 99 THR H . . 3.320 2.186 2.116 2.266 . 0 0 "[ . 1]" 1
430 1 33 SER H 1 99 THR H . . 5.500 5.112 4.389 5.604 0.104 9 0 "[ . 1]" 1
431 1 99 THR H 1 100 ILE MG . . 4.830 4.624 4.323 4.812 . 0 0 "[ . 1]" 1
432 1 99 THR H 1 109 LYS HA . . 4.650 4.397 4.256 4.482 . 0 0 "[ . 1]" 1
433 1 9 ASP H 1 10 ARG H . . 3.060 2.770 2.564 2.973 . 0 0 "[ . 1]" 1
434 1 8 ALA MB 1 9 ASP H . . 3.150 2.425 2.134 2.740 . 0 0 "[ . 1]" 1
435 1 9 ASP H 1 9 ASP QB . . 2.810 2.235 2.159 2.332 . 0 0 "[ . 1]" 1
436 1 141 SER H 1 141 SER QB . . 3.030 2.243 2.197 2.328 . 0 0 "[ . 1]" 1
437 1 139 LEU H 1 141 SER H . . 4.350 4.305 4.178 4.371 0.021 1 0 "[ . 1]" 1
438 1 138 ALA MB 1 141 SER H . . 4.870 4.769 4.504 5.166 0.296 2 0 "[ . 1]" 1
439 1 140 LEU QB 1 141 SER H . . 3.850 2.447 2.346 2.848 . 0 0 "[ . 1]" 1
440 1 140 LEU H 1 141 SER H . . 2.770 2.785 2.371 2.996 0.226 2 0 "[ . 1]" 1
441 1 140 LEU QD 1 141 SER H . . 4.220 3.847 3.260 4.040 . 0 0 "[ . 1]" 1
442 1 141 SER H 1 142 ASP H . . 2.890 2.695 2.610 2.758 . 0 0 "[ . 1]" 1
443 1 140 LEU HG 1 141 SER H . . 4.530 4.280 2.600 4.808 0.278 2 0 "[ . 1]" 1
444 1 15 TRP HA 1 15 TRP HE1 . . 5.280 4.901 4.554 5.257 . 0 0 "[ . 1]" 1
445 1 15 TRP HE1 1 19 LYS QG . . 4.620 4.621 3.392 5.504 0.884 4 3 "[ +. *-]" 1
446 1 15 TRP HE1 1 19 LYS QB . . 3.950 3.518 3.098 3.963 0.013 3 0 "[ . 1]" 1
447 1 102 THR H 1 102 THR HB . . 3.990 3.540 3.220 3.678 . 0 0 "[ . 1]" 1
448 1 101 VAL H 1 102 THR H . . 4.350 4.239 4.034 4.372 0.022 10 0 "[ . 1]" 1
449 1 101 VAL HB 1 102 THR H . . 4.450 4.241 4.129 4.388 . 0 0 "[ . 1]" 1
450 1 102 THR H 1 103 GLU H . . 5.020 4.585 4.538 4.624 . 0 0 "[ . 1]" 1
451 1 101 VAL HA 1 102 THR H . . 3.400 2.166 2.144 2.210 . 0 0 "[ . 1]" 1
452 1 101 VAL QG 1 102 THR H . . 3.250 2.378 2.158 2.800 . 0 0 "[ . 1]" 1
453 1 102 THR H 1 105 GLY HA2 . . 5.290 5.108 4.843 5.248 . 0 0 "[ . 1]" 1
454 1 102 THR H 1 102 THR MG . . 3.200 1.909 1.798 2.014 . 0 0 "[ . 1]" 1
455 1 137 THR H 1 138 ALA H . . 2.940 2.698 2.424 2.878 . 0 0 "[ . 1]" 1
456 1 137 THR H 1 137 THR HB . . 4.070 2.940 2.520 3.604 . 0 0 "[ . 1]" 1
457 1 64 SER HA 1 66 VAL H . . 3.880 3.506 3.477 3.567 . 0 0 "[ . 1]" 1
458 1 137 THR H 1 139 LEU H . . 4.710 4.530 3.990 4.853 0.143 10 0 "[ . 1]" 1
459 1 137 THR H 1 137 THR MG . . 4.060 3.330 2.071 3.779 . 0 0 "[ . 1]" 1
460 1 23 SER QB 1 24 LEU H . . 3.910 2.943 2.782 3.106 . 0 0 "[ . 1]" 1
461 1 24 LEU H 1 24 LEU QB . . 3.140 2.212 2.112 2.258 . 0 0 "[ . 1]" 1
462 1 22 LYS QB 1 24 LEU H . . 4.390 4.224 4.121 4.379 . 0 0 "[ . 1]" 1
463 1 21 ILE HA 1 24 LEU H . . 4.870 3.755 3.475 4.023 . 0 0 "[ . 1]" 1
464 1 21 ILE MG 1 24 LEU H . . 4.780 4.629 4.517 4.835 0.055 5 0 "[ . 1]" 1
465 1 24 LEU H 1 25 GLU H . . 3.860 2.627 2.555 2.700 . 0 0 "[ . 1]" 1
466 1 24 LEU H 1 24 LEU QD . . 3.750 3.458 2.200 3.767 0.017 4 0 "[ . 1]" 1
467 1 22 LYS HA 1 24 LEU H . . 4.030 4.017 3.934 4.098 0.068 6 0 "[ . 1]" 1
468 1 18 LYS H 1 19 LYS QB . . 4.250 4.098 4.025 4.354 0.104 4 0 "[ . 1]" 1
469 1 15 TRP HA 1 18 LYS H . . 3.400 3.501 3.285 3.711 0.311 8 0 "[ . 1]" 1
470 1 17 ILE H 1 18 LYS H . . 3.720 2.468 2.373 2.574 . 0 0 "[ . 1]" 1
471 1 18 LYS H 1 18 LYS QB . . 3.170 2.488 2.154 2.855 . 0 0 "[ . 1]" 1
472 1 16 LYS HA 1 18 LYS H . . 4.400 4.254 3.932 4.415 0.015 7 0 "[ . 1]" 1
473 1 18 LYS H 1 19 LYS H . . 3.720 2.360 2.289 2.595 . 0 0 "[ . 1]" 1
474 1 18 LYS H 1 18 LYS QD . . 4.240 3.823 3.403 4.322 0.082 3 0 "[ . 1]" 1
475 1 17 ILE HB 1 18 LYS H . . 3.730 3.493 2.854 3.941 0.211 3 0 "[ . 1]" 1
476 1 17 ILE MG 1 18 LYS H . . 4.060 3.027 1.862 3.942 . 0 0 "[ . 1]" 1
477 1 18 LYS H 1 18 LYS QE . . 5.500 4.701 3.466 5.369 . 0 0 "[ . 1]" 1
478 1 18 LYS H 1 18 LYS QG . . 4.290 2.514 1.669 4.066 . 0 0 "[ . 1]" 1
479 1 55 GLU H 1 56 PHE H . . 3.780 2.792 2.725 2.860 . 0 0 "[ . 1]" 1
480 1 55 GLU H 1 55 GLU QB . . 3.300 2.181 2.138 2.247 . 0 0 "[ . 1]" 1
481 1 35 ILE MG 1 36 SER H . . 3.810 2.820 2.243 4.133 0.323 2 0 "[ . 1]" 1
482 1 36 SER H 1 126 LEU H . . 4.030 3.621 3.391 3.814 . 0 0 "[ . 1]" 1
483 1 96 TYR H 1 131 PHE HE1 . . 5.500 5.615 5.553 5.683 0.183 10 0 "[ . 1]" 1
484 1 95 VAL MG1 1 96 TYR H . . 4.390 3.291 1.914 3.973 . 0 0 "[ . 1]" 1
485 1 96 TYR H 1 112 ILE HA . . 5.490 4.999 4.809 5.321 . 0 0 "[ . 1]" 1
486 1 96 TYR H 1 96 TYR HD1 . . 4.430 4.333 4.020 4.508 0.078 10 0 "[ . 1]" 1
487 1 95 VAL HA 1 96 TYR H . . 3.550 2.199 2.141 2.266 . 0 0 "[ . 1]" 1
488 1 95 VAL MG2 1 96 TYR H . . 4.390 3.467 2.078 4.292 . 0 0 "[ . 1]" 1
489 1 141 SER QB 1 142 ASP H . . 3.330 3.046 2.937 3.198 . 0 0 "[ . 1]" 1
490 1 142 ASP H 1 142 ASP QB . . 2.890 2.495 2.254 2.943 0.053 6 0 "[ . 1]" 1
491 1 34 MET QB 1 35 ILE H . . 4.570 3.325 3.173 3.765 . 0 0 "[ . 1]" 1
492 1 35 ILE H 1 35 ILE HG12 . . 5.040 3.690 2.275 4.793 . 0 0 "[ . 1]" 1
493 1 35 ILE H 1 131 PHE HE1 . . 4.890 4.358 3.920 5.065 0.175 1 0 "[ . 1]" 1
494 1 35 ILE H 1 35 ILE HB . . 4.080 2.611 2.356 3.671 . 0 0 "[ . 1]" 1
495 1 35 ILE H 1 35 ILE MG . . 4.430 3.260 2.112 3.820 . 0 0 "[ . 1]" 1
496 1 35 ILE H 1 35 ILE MD . . 4.830 3.651 2.830 4.221 . 0 0 "[ . 1]" 1
497 1 35 ILE H 1 36 SER H . . 4.690 4.511 4.420 4.557 . 0 0 "[ . 1]" 1
498 1 35 ILE H 1 97 CYS H . . 4.390 3.818 3.275 4.190 . 0 0 "[ . 1]" 1
499 1 34 MET H 1 35 ILE H . . 5.310 4.458 4.423 4.505 . 0 0 "[ . 1]" 1
500 1 35 ILE H 1 35 ILE HG13 . . 5.040 3.579 2.517 4.759 . 0 0 "[ . 1]" 1
501 1 24 LEU QB 1 25 GLU H . . 3.940 2.328 2.214 2.579 . 0 0 "[ . 1]" 1
502 1 25 GLU H 1 25 GLU QG . . 4.000 3.538 2.741 4.040 0.040 5 0 "[ . 1]" 1
503 1 25 GLU H 1 25 GLU QB . . 3.440 2.194 2.119 2.247 . 0 0 "[ . 1]" 1
504 1 29 GLY HA2 1 30 ASN H . . 3.430 2.305 2.154 2.628 . 0 0 "[ . 1]" 1
505 1 30 ASN H 1 30 ASN QD . . 4.150 2.472 1.884 3.428 . 0 0 "[ . 1]" 1
506 1 30 ASN H 1 30 ASN QB . . 3.320 2.511 2.268 2.984 . 0 0 "[ . 1]" 1
507 1 30 ASN H 1 101 VAL QG . . 3.880 2.176 1.883 3.124 . 0 0 "[ . 1]" 1
508 1 30 ASN H 1 31 GLY H . . 3.750 2.530 2.323 2.866 . 0 0 "[ . 1]" 1
509 1 29 GLY HA3 1 30 ASN H . . 3.430 2.890 2.501 3.151 . 0 0 "[ . 1]" 1
510 1 90 PRO QG 1 92 GLY H . . 4.800 4.999 4.926 5.052 0.252 7 0 "[ . 1]" 1
511 1 40 PRO HA 1 92 GLY H . . 5.500 5.373 5.098 5.598 0.098 1 0 "[ . 1]" 1
512 1 41 PRO QG 1 92 GLY H . . 4.220 3.591 3.200 3.792 . 0 0 "[ . 1]" 1
513 1 89 PRO QD 1 92 GLY H . . 5.500 4.677 4.401 4.745 . 0 0 "[ . 1]" 1
514 1 90 PRO QD 1 92 GLY H . . 5.500 4.752 4.606 4.811 . 0 0 "[ . 1]" 1
515 1 89 PRO QG 1 92 GLY H . . 4.010 3.760 3.447 3.861 . 0 0 "[ . 1]" 1
516 1 92 GLY H 1 119 PRO QB . . 5.500 4.636 4.094 5.557 0.057 3 0 "[ . 1]" 1
517 1 41 PRO QB 1 92 GLY H . . 4.360 2.129 1.908 2.318 . 0 0 "[ . 1]" 1
518 1 92 GLY H 1 93 LEU H . . 4.630 4.563 4.520 4.589 . 0 0 "[ . 1]" 1
519 1 91 ASN H 1 92 GLY H . . 3.870 2.551 2.499 2.606 . 0 0 "[ . 1]" 1
520 1 41 PRO QD 1 92 GLY H . . 4.800 3.599 3.482 3.743 . 0 0 "[ . 1]" 1
521 1 72 LEU HB3 1 73 GLY H . . 3.980 2.818 2.623 2.952 . 0 0 "[ . 1]" 1
522 1 71 VAL QG 1 73 GLY H . . 4.680 4.561 4.476 4.669 . 0 0 "[ . 1]" 1
523 1 72 LEU MD2 1 73 GLY H . . 4.930 3.893 2.465 4.697 . 0 0 "[ . 1]" 1
524 1 73 GLY H 1 74 ALA H . . 3.600 2.595 2.534 2.675 . 0 0 "[ . 1]" 1
525 1 72 LEU HB2 1 73 GLY H . . 3.980 3.968 3.527 4.168 0.188 5 0 "[ . 1]" 1
526 1 73 GLY H 1 75 ILE MG . . 4.350 4.026 3.734 4.291 . 0 0 "[ . 1]" 1
527 1 70 SER HA 1 73 GLY H . . 3.890 3.675 3.623 3.782 . 0 0 "[ . 1]" 1
528 1 72 LEU H 1 73 GLY H . . 3.850 2.706 2.671 2.799 . 0 0 "[ . 1]" 1
529 1 72 LEU MD1 1 73 GLY H . . 4.930 4.226 3.632 4.825 . 0 0 "[ . 1]" 1
530 1 121 ASN HD21 1 122 THR H . . 4.020 4.430 4.315 4.541 0.521 2 2 "[ + . - 1]" 1
531 1 121 ASN HA 1 121 ASN HD21 . . 4.150 2.870 2.554 3.275 . 0 0 "[ . 1]" 1
532 1 121 ASN HD21 1 122 THR MG . . 5.440 5.278 5.050 5.508 0.068 5 0 "[ . 1]" 1
533 1 121 ASN H 1 121 ASN HD21 . . 4.400 2.051 1.884 2.374 . 0 0 "[ . 1]" 1
534 1 64 SER HA 1 67 ASN HD21 . . 4.710 4.539 4.344 4.726 0.016 6 0 "[ . 1]" 1
535 1 66 VAL HB 1 67 ASN HD21 . . 5.070 4.028 2.758 4.885 . 0 0 "[ . 1]" 1
536 1 64 SER HB2 1 67 ASN HD21 . . 4.680 2.263 1.927 2.853 . 0 0 "[ . 1]" 1
537 1 67 ASN HA 1 67 ASN HD21 . . 4.440 3.177 2.930 3.403 . 0 0 "[ . 1]" 1
538 1 62 ILE MG 1 67 ASN HD21 . . 4.640 2.620 2.302 2.971 . 0 0 "[ . 1]" 1
539 1 67 ASN H 1 67 ASN HD21 . . 2.910 2.290 2.071 2.563 . 0 0 "[ . 1]" 1
540 1 70 SER QB 1 71 VAL H . . 3.520 2.349 2.037 2.994 . 0 0 "[ . 1]" 1
541 1 71 VAL H 1 71 VAL QG . . 3.140 2.197 2.113 2.288 . 0 0 "[ . 1]" 1
542 1 71 VAL H 1 72 LEU H . . 3.870 2.729 2.673 2.837 . 0 0 "[ . 1]" 1
543 1 71 VAL H 1 71 VAL HB . . 3.520 2.590 2.530 2.630 . 0 0 "[ . 1]" 1
544 1 62 ILE H 1 62 ILE HB . . 3.650 2.707 2.683 2.739 . 0 0 "[ . 1]" 1
545 1 58 THR MG 1 62 ILE H . . 5.230 6.304 5.298 6.522 1.292 5 9 "[****+** *-]" 1
546 1 59 ALA MB 1 62 ILE H . . 5.500 4.608 4.558 4.666 . 0 0 "[ . 1]" 1
547 1 59 ALA HA 1 62 ILE H . . 3.870 3.568 3.516 3.631 . 0 0 "[ . 1]" 1
548 1 62 ILE H 1 62 ILE MG . . 3.690 3.752 3.746 3.757 0.067 5 0 "[ . 1]" 1
549 1 62 ILE H 1 63 LYS H . . 4.830 4.636 4.631 4.638 . 0 0 "[ . 1]" 1
550 1 61 ASN H 1 62 ILE H . . 3.200 2.606 2.594 2.615 . 0 0 "[ . 1]" 1
551 1 62 ILE H 1 62 ILE HG13 . . 3.580 3.493 3.478 3.503 . 0 0 "[ . 1]" 1
552 1 61 ASN QB 1 62 ILE H . . 4.400 3.295 2.928 3.654 . 0 0 "[ . 1]" 1
553 1 62 ILE H 1 62 ILE MD . . 3.970 2.668 2.498 2.819 . 0 0 "[ . 1]" 1
554 1 62 ILE H 1 62 ILE HG12 . . 3.580 1.915 1.894 1.930 . 0 0 "[ . 1]" 1
555 1 79 GLN HB2 1 79 GLN HE21 . . 4.810 3.509 2.572 4.126 . 0 0 "[ . 1]" 1
556 1 49 ALA HA 1 79 GLN HE21 . . 5.500 4.654 3.985 5.452 . 0 0 "[ . 1]" 1
557 1 53 ALA MB 1 79 GLN HE21 . . 4.570 4.371 4.018 4.679 0.109 9 0 "[ . 1]" 1
558 1 56 PHE H 1 79 GLN HE21 . . 5.500 5.712 5.599 5.917 0.417 9 0 "[ . 1]" 1
559 1 53 ALA HA 1 79 GLN HE21 . . 4.530 3.766 3.325 4.190 . 0 0 "[ . 1]" 1
560 1 49 ALA MB 1 79 GLN HE21 . . 5.500 4.770 4.441 5.019 . 0 0 "[ . 1]" 1
561 1 52 LEU QD 1 79 GLN HE21 . . 4.700 3.593 2.694 4.664 . 0 0 "[ . 1]" 1
562 1 79 GLN HA 1 79 GLN HE21 . . 5.020 4.230 3.660 4.759 . 0 0 "[ . 1]" 1
563 1 63 LYS H 1 64 SER HA . . 5.230 5.090 5.025 5.132 . 0 0 "[ . 1]" 1
564 1 63 LYS H 1 63 LYS QB . . 3.240 2.587 2.445 2.652 . 0 0 "[ . 1]" 1
565 1 62 ILE HA 1 63 LYS H . . 3.370 2.269 2.262 2.272 . 0 0 "[ . 1]" 1
566 1 62 ILE MG 1 63 LYS H . . 3.930 1.885 1.864 1.914 . 0 0 "[ . 1]" 1
567 1 63 LYS H 1 63 LYS QE . . 5.080 4.320 3.642 4.861 . 0 0 "[ . 1]" 1
568 1 63 LYS H 1 63 LYS QG . . 3.970 2.052 1.942 2.365 . 0 0 "[ . 1]" 1
569 1 62 ILE HB 1 63 LYS H . . 3.700 3.722 3.703 3.748 0.048 6 0 "[ . 1]" 1
570 1 45 ILE H 1 45 ILE HB . . 3.490 2.553 2.341 2.785 . 0 0 "[ . 1]" 1
571 1 45 ILE H 1 45 ILE MD . . 4.300 2.481 1.862 3.281 . 0 0 "[ . 1]" 1
572 1 45 ILE H 1 45 ILE MG . . 3.930 3.746 3.710 3.765 . 0 0 "[ . 1]" 1
573 1 45 ILE H 1 45 ILE QG . . 3.660 2.473 1.910 3.388 . 0 0 "[ . 1]" 1
574 1 44 GLN HA 1 45 ILE H . . 3.380 2.203 2.167 2.226 . 0 0 "[ . 1]" 1
575 1 44 GLN QG 1 45 ILE H . . 4.610 2.644 2.358 3.001 . 0 0 "[ . 1]" 1
576 1 32 THR MG 1 33 SER H . . 4.310 3.490 1.907 4.158 . 0 0 "[ . 1]" 1
577 1 32 THR HB 1 33 SER H . . 4.050 3.215 2.164 4.031 . 0 0 "[ . 1]" 1
578 1 30 ASN QD 1 31 GLY H . . 4.630 2.310 1.878 2.520 . 0 0 "[ . 1]" 1
579 1 31 GLY H 1 99 THR MG . . 5.160 5.547 5.055 6.690 1.530 8 3 "[ * . +-1]" 1
580 1 30 ASN QB 1 31 GLY H . . 3.540 3.358 2.772 3.492 . 0 0 "[ . 1]" 1
581 1 31 GLY H 1 101 VAL QG . . 4.390 3.789 3.396 4.263 . 0 0 "[ . 1]" 1
582 1 41 PRO QB 1 42 LYS H . . 4.090 3.223 1.357 3.723 . 0 0 "[ . 1]" 1
583 1 42 LYS H 1 42 LYS QB . . 3.460 2.543 2.257 3.117 . 0 0 "[ . 1]" 1
584 1 41 PRO QG 1 42 LYS H . . 4.180 3.076 2.537 3.280 . 0 0 "[ . 1]" 1
585 1 42 LYS H 1 42 LYS QD . . 4.680 3.964 2.090 4.667 . 0 0 "[ . 1]" 1
586 1 42 LYS H 1 42 LYS QG . . 3.990 2.972 2.111 4.060 0.070 9 0 "[ . 1]" 1
587 1 41 PRO QD 1 42 LYS H . . 3.760 3.138 2.868 4.109 0.349 6 0 "[ . 1]" 1
588 1 34 MET HA 1 98 GLY H . . 4.880 4.746 4.412 5.258 0.378 9 0 "[ . 1]" 1
589 1 98 GLY H 1 131 PHE HE1 . . 4.810 4.492 4.217 4.745 . 0 0 "[ . 1]" 1
590 1 98 GLY H 1 110 VAL HA . . 5.500 5.284 5.038 5.423 . 0 0 "[ . 1]" 1
591 1 98 GLY H 1 99 THR H . . 4.940 4.264 4.058 4.380 . 0 0 "[ . 1]" 1
592 1 34 MET QG 1 98 GLY H . . 5.500 5.445 4.042 6.475 0.975 9 5 "[- .* *+*]" 1
593 1 98 GLY H 1 109 LYS QB . . 5.500 4.091 2.365 4.500 . 0 0 "[ . 1]" 1
594 1 98 GLY H 1 131 PHE HZ . . 4.460 4.032 3.575 4.518 0.058 8 0 "[ . 1]" 1
595 1 98 GLY H 1 110 VAL HB . . 5.020 4.950 4.426 5.114 0.094 3 0 "[ . 1]" 1
596 1 97 CYS HA 1 98 GLY H . . 3.350 2.180 2.144 2.261 . 0 0 "[ . 1]" 1
597 1 97 CYS QB 1 98 GLY H . . 3.960 3.318 2.842 3.794 . 0 0 "[ . 1]" 1
598 1 98 GLY H 1 109 LYS HA . . 4.900 4.343 4.075 4.481 . 0 0 "[ . 1]" 1
599 1 83 LYS QB 1 84 LEU H . . 3.600 3.126 2.980 3.577 . 0 0 "[ . 1]" 1
600 1 84 LEU H 1 84 LEU HB3 . . 3.520 3.144 2.709 3.584 0.064 10 0 "[ . 1]" 1
601 1 84 LEU H 1 85 TYR QE . . 5.500 4.088 3.955 4.202 . 0 0 "[ . 1]" 1
602 1 84 LEU H 1 84 LEU QD . . 3.770 3.109 2.384 3.569 . 0 0 "[ . 1]" 1
603 1 84 LEU H 1 85 TYR QD . . 3.800 3.486 3.074 3.648 . 0 0 "[ . 1]" 1
604 1 84 LEU H 1 85 TYR QB . . 4.670 4.768 4.555 4.918 0.248 4 0 "[ . 1]" 1
605 1 82 LEU H 1 84 LEU H . . 4.630 4.040 3.975 4.097 . 0 0 "[ . 1]" 1
606 1 84 LEU H 1 84 LEU HB2 . . 3.520 2.260 2.104 2.391 . 0 0 "[ . 1]" 1
607 1 60 SER H 1 61 ASN H . . 2.850 2.489 2.419 2.540 . 0 0 "[ . 1]" 1
608 1 58 THR MG 1 61 ASN H . . 5.440 5.214 5.001 5.279 . 0 0 "[ . 1]" 1
609 1 59 ALA MB 1 61 ASN H . . 5.500 4.754 4.613 4.865 . 0 0 "[ . 1]" 1
610 1 61 ASN H 1 61 ASN HD22 . . 4.580 4.144 3.981 4.314 . 0 0 "[ . 1]" 1
611 1 61 ASN H 1 62 ILE MG . . 3.930 5.868 5.854 5.879 1.949 5 10 [*-**+*****] 1
612 1 60 SER QB 1 61 ASN H . . 3.420 2.634 2.536 2.754 . 0 0 "[ . 1]" 1
613 1 61 ASN H 1 61 ASN QB . . 3.270 2.231 2.157 2.310 . 0 0 "[ . 1]" 1
614 1 80 GLN H 1 82 LEU H . . 4.910 4.769 4.724 4.807 . 0 0 "[ . 1]" 1
615 1 82 LEU H 1 82 LEU HG . . 4.180 4.001 1.983 4.602 0.422 3 0 "[ . 1]" 1
616 1 81 ARG HB2 1 82 LEU H . . 3.390 2.662 2.560 2.771 . 0 0 "[ . 1]" 1
617 1 82 LEU H 1 82 LEU HB3 . . 3.600 3.083 2.136 3.583 . 0 0 "[ . 1]" 1
618 1 82 LEU H 1 82 LEU HB2 . . 3.600 2.357 2.143 2.983 . 0 0 "[ . 1]" 1
619 1 82 LEU H 1 82 LEU QD . . 3.740 2.901 2.065 3.591 . 0 0 "[ . 1]" 1
620 1 5 PRO HA 1 6 SER H . . 3.130 2.627 2.585 2.701 . 0 0 "[ . 1]" 1
621 1 6 SER H 1 6 SER QB . . 3.300 2.472 2.164 2.809 . 0 0 "[ . 1]" 1
622 1 5 PRO QB 1 6 SER H . . 4.320 2.069 1.926 2.151 . 0 0 "[ . 1]" 1
623 1 6 SER H 1 7 ALA H . . 3.430 2.537 2.281 2.767 . 0 0 "[ . 1]" 1
624 1 5 PRO QG 1 6 SER H . . 4.280 3.771 3.637 3.847 . 0 0 "[ . 1]" 1
625 1 97 CYS H 1 131 PHE HE1 . . 4.100 2.543 1.978 3.131 . 0 0 "[ . 1]" 1
626 1 35 ILE HB 1 97 CYS H . . 5.100 4.404 3.333 5.248 0.148 2 0 "[ . 1]" 1
627 1 96 TYR HB3 1 97 CYS H . . 4.570 3.562 3.020 3.799 . 0 0 "[ . 1]" 1
628 1 96 TYR HD1 1 97 CYS H . . 4.360 3.792 3.399 4.172 . 0 0 "[ . 1]" 1
629 1 35 ILE MG 1 97 CYS H . . 4.990 3.874 2.497 4.353 . 0 0 "[ . 1]" 1
630 1 97 CYS H 1 131 PHE HD1 . . 4.770 4.019 3.598 4.513 . 0 0 "[ . 1]" 1
631 1 97 CYS H 1 98 GLY H . . 4.680 4.356 4.202 4.496 . 0 0 "[ . 1]" 1
632 1 96 TYR HA 1 97 CYS H . . 3.560 2.161 2.138 2.204 . 0 0 "[ . 1]" 1
633 1 34 MET QB 1 97 CYS H . . 5.290 4.754 4.250 5.209 . 0 0 "[ . 1]" 1
634 1 35 ILE HA 1 97 CYS H . . 5.500 5.225 4.951 5.465 . 0 0 "[ . 1]" 1
635 1 97 CYS H 1 131 PHE HZ . . 5.210 4.232 3.508 4.907 . 0 0 "[ . 1]" 1
636 1 96 TYR HB2 1 97 CYS H . . 4.570 4.371 4.145 4.485 . 0 0 "[ . 1]" 1
637 1 112 ILE MD 1 113 ASP H . . 4.110 3.687 3.388 4.676 0.566 6 1 "[ .+ 1]" 1
638 1 113 ASP H 1 114 PHE H . . 4.670 4.493 4.428 4.567 . 0 0 "[ . 1]" 1
639 1 112 ILE HA 1 113 ASP H . . 2.840 2.149 2.143 2.156 . 0 0 "[ . 1]" 1
640 1 112 ILE MG 1 113 ASP H . . 3.500 2.471 2.366 2.623 . 0 0 "[ . 1]" 1
641 1 34 MET H 1 128 ASP H . . 4.690 4.423 4.155 4.564 . 0 0 "[ . 1]" 1
642 1 34 MET H 1 34 MET QG . . 3.920 2.467 1.767 3.689 . 0 0 "[ . 1]" 1
643 1 33 SER H 1 34 MET H . . 4.600 4.223 4.045 4.352 . 0 0 "[ . 1]" 1
644 1 34 MET H 1 34 MET ME . . 4.780 4.185 2.780 4.659 . 0 0 "[ . 1]" 1
645 1 50 LYS QB 1 51 MET H . . 3.250 2.401 2.354 2.507 . 0 0 "[ . 1]" 1
646 1 51 MET H 1 52 LEU H . . 3.860 2.778 2.701 2.817 . 0 0 "[ . 1]" 1
647 1 51 MET H 1 51 MET ME . . 4.890 3.582 3.269 3.836 . 0 0 "[ . 1]" 1
648 1 51 MET H 1 52 LEU HG . . 5.240 5.645 4.009 6.561 1.321 3 7 "[ *+-** **]" 1
649 1 51 MET H 1 51 MET HB2 . . 3.660 2.330 2.207 2.680 . 0 0 "[ . 1]" 1
650 1 48 VAL HA 1 51 MET H . . 4.020 3.683 3.596 3.772 . 0 0 "[ . 1]" 1
651 1 51 MET H 1 51 MET HB3 . . 3.660 3.162 2.382 3.589 . 0 0 "[ . 1]" 1
652 1 49 ALA MB 1 51 MET H . . 5.220 4.593 4.497 4.644 . 0 0 "[ . 1]" 1
653 1 51 MET H 1 52 LEU QD . . 4.760 3.778 3.510 4.153 . 0 0 "[ . 1]" 1
654 1 50 LYS QG 1 51 MET H . . 3.940 3.952 3.864 4.045 0.105 1 0 "[ . 1]" 1
655 1 51 MET H 1 51 MET QG . . 4.050 3.292 2.140 4.050 . 0 0 "[ . 1]" 1
656 1 79 GLN HB2 1 80 GLN QE . . 5.500 5.696 5.324 6.166 0.666 5 1 "[ + 1]" 1
657 1 80 GLN QE 1 81 ARG HB2 . . 5.500 5.093 4.892 5.338 . 0 0 "[ . 1]" 1
658 1 129 ASN HA 1 129 ASN HD22 . . 5.020 4.323 3.768 5.042 0.022 1 0 "[ . 1]" 1
659 1 129 ASN H 1 129 ASN HD22 . . 5.110 4.162 3.021 4.973 . 0 0 "[ . 1]" 1
660 1 13 GLU QB 1 14 ILE H . . 3.430 2.385 2.103 3.249 . 0 0 "[ . 1]" 1
661 1 14 ILE H 1 14 ILE HB . . 3.880 3.480 2.306 3.629 . 0 0 "[ . 1]" 1
662 1 14 ILE HB 1 15 TRP H . . 4.340 3.975 3.832 4.122 . 0 0 "[ . 1]" 1
663 1 14 ILE H 1 14 ILE MG . . 2.400 2.137 1.904 2.520 0.120 7 0 "[ . 1]" 1
664 1 13 GLU H 1 13 GLU QB . . 3.170 2.348 2.114 2.570 . 0 0 "[ . 1]" 1
665 1 12 VAL HB 1 13 GLU H . . 3.340 2.629 2.142 3.966 0.626 10 1 "[ . +]" 1
666 1 13 GLU H 1 13 GLU QG . . 3.660 2.861 1.940 4.054 0.394 4 0 "[ . 1]" 1
667 1 11 ASN HA 1 13 GLU H . . 4.890 4.958 4.755 5.032 0.142 8 0 "[ . 1]" 1
668 1 105 GLY H 1 106 LYS H . . 3.350 2.244 2.172 2.361 . 0 0 "[ . 1]" 1
669 1 104 GLU H 1 106 LYS H . . 4.310 4.056 3.930 4.186 . 0 0 "[ . 1]" 1
670 1 104 GLU QG 1 106 LYS H . . 5.040 4.974 4.759 5.056 0.016 6 0 "[ . 1]" 1
671 1 106 LYS H 1 106 LYS QG . . 4.360 2.826 2.473 3.496 . 0 0 "[ . 1]" 1
672 1 106 LYS H 1 106 LYS HB3 . . 4.120 3.635 2.757 3.829 . 0 0 "[ . 1]" 1
673 1 102 THR H 1 106 LYS H . . 3.870 2.899 2.790 3.048 . 0 0 "[ . 1]" 1
674 1 101 VAL QG 1 106 LYS H . . 3.900 3.008 2.766 3.180 . 0 0 "[ . 1]" 1
675 1 106 LYS H 1 106 LYS HB2 . . 4.120 2.793 2.479 3.815 . 0 0 "[ . 1]" 1
676 1 102 THR MG 1 106 LYS H . . 3.700 3.023 1.884 3.723 0.023 2 0 "[ . 1]" 1
677 1 130 LYS H 1 130 LYS HG3 . . 4.420 2.904 2.047 4.050 . 0 0 "[ . 1]" 1
678 1 128 ASP H 1 130 LYS H . . 5.200 4.946 4.517 5.234 0.034 5 0 "[ . 1]" 1
679 1 130 LYS H 1 130 LYS HG2 . . 4.420 3.128 2.288 4.513 0.093 10 0 "[ . 1]" 1
680 1 128 ASP HA 1 130 LYS H . . 4.890 4.826 4.349 5.133 0.243 5 0 "[ . 1]" 1
681 1 130 LYS H 1 131 PHE H . . 5.260 4.437 4.402 4.481 . 0 0 "[ . 1]" 1
682 1 128 ASP QB 1 130 LYS H . . 3.880 2.764 2.233 3.399 . 0 0 "[ . 1]" 1
683 1 130 LYS H 1 130 LYS QD . . 4.460 4.033 3.622 4.594 0.134 10 0 "[ . 1]" 1
684 1 129 ASN H 1 130 LYS H . . 3.790 2.276 2.209 2.392 . 0 0 "[ . 1]" 1
685 1 134 GLU QB 1 135 ALA H . . 3.820 3.079 2.935 3.225 . 0 0 "[ . 1]" 1
686 1 134 GLU H 1 135 ALA H . . 3.910 2.642 2.497 2.746 . 0 0 "[ . 1]" 1
687 1 133 THR HA 1 135 ALA H . . 4.480 3.583 3.272 3.746 . 0 0 "[ . 1]" 1
688 1 135 ALA H 1 135 ALA MB . . 3.290 2.122 2.044 2.243 . 0 0 "[ . 1]" 1
689 1 135 ALA H 1 137 THR H . . 4.820 3.973 3.628 4.322 . 0 0 "[ . 1]" 1
690 1 134 GLU QG 1 135 ALA H . . 4.370 4.261 4.071 4.394 0.024 10 0 "[ . 1]" 1
691 1 16 LYS H 1 16 LYS QE . . 4.890 3.997 3.521 4.476 . 0 0 "[ . 1]" 1
692 1 16 LYS H 1 17 ILE QG . . 4.800 5.110 3.613 6.302 1.502 1 5 "[+** . *-1]" 1
693 1 16 LYS H 1 16 LYS QB . . 3.450 2.503 2.165 2.746 . 0 0 "[ . 1]" 1
694 1 15 TRP QB 1 16 LYS H . . 4.440 2.745 2.550 2.863 . 0 0 "[ . 1]" 1
695 1 126 LEU MD2 1 127 CYS H . . 5.050 3.893 2.039 4.600 . 0 0 "[ . 1]" 1
696 1 126 LEU MD1 1 127 CYS H . . 5.050 3.208 2.179 4.564 . 0 0 "[ . 1]" 1
697 1 127 CYS H 1 127 CYS HB2 . . 3.860 3.452 2.735 3.602 . 0 0 "[ . 1]" 1
698 1 127 CYS H 1 128 ASP H . . 4.820 4.366 3.900 4.598 . 0 0 "[ . 1]" 1
699 1 126 LEU HA 1 127 CYS H . . 3.060 2.195 2.140 2.664 . 0 0 "[ . 1]" 1
700 1 126 LEU HG 1 127 CYS H . . 4.680 3.394 1.874 4.839 0.159 7 0 "[ . 1]" 1
701 1 127 CYS H 1 127 CYS HG . . 4.400 3.376 2.298 4.614 0.214 8 0 "[ . 1]" 1
702 1 125 PHE HD1 1 127 CYS H . . 5.500 5.277 4.481 5.554 0.054 4 0 "[ . 1]" 1
703 1 127 CYS H 1 127 CYS HB3 . . 3.860 2.800 2.196 3.771 . 0 0 "[ . 1]" 1
704 1 91 ASN HD21 1 118 LYS HA . . 4.860 3.194 2.299 4.593 . 0 0 "[ . 1]" 1
705 1 90 PRO QB 1 91 ASN HD21 . . 5.500 5.330 3.471 5.849 0.349 8 0 "[ . 1]" 1
706 1 91 ASN HD21 1 119 PRO QG . . 5.180 3.976 3.281 4.689 . 0 0 "[ . 1]" 1
707 1 109 LYS H 1 110 VAL H . . 4.460 4.215 4.037 4.626 0.166 5 0 "[ . 1]" 1
708 1 109 LYS QB 1 110 VAL H . . 3.550 3.392 2.371 3.653 0.103 7 0 "[ . 1]" 1
709 1 110 VAL H 1 110 VAL HB . . 3.650 2.648 2.585 2.712 . 0 0 "[ . 1]" 1
710 1 130 LYS HG3 1 131 PHE H . . 5.400 4.137 2.970 4.822 . 0 0 "[ . 1]" 1
711 1 131 PHE H 1 131 PHE HE1 . . 5.500 4.867 4.633 5.042 . 0 0 "[ . 1]" 1
712 1 130 LYS HG2 1 131 PHE H . . 5.400 4.749 4.039 5.245 . 0 0 "[ . 1]" 1
713 1 131 PHE H 1 131 PHE HD1 . . 4.560 3.657 3.304 3.974 . 0 0 "[ . 1]" 1
714 1 131 PHE H 1 131 PHE HZ . . 5.500 5.149 5.025 5.443 . 0 0 "[ . 1]" 1
715 1 130 LYS QB 1 131 PHE H . . 4.100 2.818 2.663 3.426 . 0 0 "[ . 1]" 1
716 1 45 ILE HB 1 46 SER H . . 3.450 2.507 2.277 2.746 . 0 0 "[ . 1]" 1
717 1 45 ILE MD 1 46 SER H . . 4.890 4.309 3.905 4.644 . 0 0 "[ . 1]" 1
718 1 45 ILE MG 1 46 SER H . . 3.760 3.193 2.658 3.543 . 0 0 "[ . 1]" 1
719 1 45 ILE H 1 46 SER H . . 3.730 2.916 2.862 3.001 . 0 0 "[ . 1]" 1
720 1 44 GLN HA 1 46 SER H . . 4.460 4.284 4.019 4.470 0.010 7 0 "[ . 1]" 1
721 1 44 GLN QG 1 46 SER H . . 5.100 2.641 2.159 3.088 . 0 0 "[ . 1]" 1
722 1 45 ILE QG 1 46 SER H . . 4.430 4.089 3.701 4.507 0.077 6 0 "[ . 1]" 1
723 1 46 SER H 1 46 SER QB . . 3.290 2.404 2.191 2.709 . 0 0 "[ . 1]" 1
724 1 46 SER H 1 48 VAL H . . 4.490 4.147 4.099 4.274 . 0 0 "[ . 1]" 1
725 1 46 SER H 1 47 ARG H . . 3.960 3.077 2.928 3.172 . 0 0 "[ . 1]" 1
726 1 87 LYS H 1 87 LYS HB3 . . 3.950 3.480 3.165 3.897 . 0 0 "[ . 1]" 1
727 1 86 ASN QB 1 87 LYS H . . 3.480 2.284 2.054 2.998 . 0 0 "[ . 1]" 1
728 1 45 ILE MD 1 87 LYS H . . 5.360 4.721 3.972 5.334 . 0 0 "[ . 1]" 1
729 1 86 ASN H 1 87 LYS H . . 3.370 2.889 2.536 3.614 0.244 1 0 "[ . 1]" 1
730 1 87 LYS H 1 87 LYS HG3 . . 3.960 3.408 2.832 4.366 0.406 3 0 "[ . 1]" 1
731 1 45 ILE MG 1 87 LYS H . . 5.140 6.136 5.493 6.798 1.658 5 8 "[ ***+*-* *]" 1
732 1 87 LYS H 1 87 LYS HB2 . . 3.950 3.465 2.684 3.923 . 0 0 "[ . 1]" 1
733 1 45 ILE QG 1 87 LYS H . . 5.500 4.652 3.735 5.542 0.042 6 0 "[ . 1]" 1
734 1 87 LYS H 1 87 LYS HG2 . . 3.960 2.979 2.235 4.182 0.222 1 0 "[ . 1]" 1
735 1 76 THR H 1 76 THR MG . . 3.850 3.675 2.795 3.782 . 0 0 "[ . 1]" 1
736 1 71 VAL QG 1 76 THR H . . 5.450 4.849 4.698 4.996 . 0 0 "[ . 1]" 1
737 1 75 ILE H 1 76 THR H . . 4.050 2.816 2.739 2.905 . 0 0 "[ . 1]" 1
738 1 74 ALA H 1 76 THR H . . 4.420 4.121 4.019 4.341 . 0 0 "[ . 1]" 1
739 1 75 ILE HB 1 76 THR H . . 4.010 3.688 3.582 3.768 . 0 0 "[ . 1]" 1
740 1 74 ALA MB 1 76 THR H . . 4.780 4.542 4.482 4.717 . 0 0 "[ . 1]" 1
741 1 75 ILE MG 1 76 THR H . . 5.500 1.825 1.751 1.863 . 0 0 "[ . 1]" 1
742 1 75 ILE MD 1 76 THR H . . 4.950 4.452 3.311 4.744 . 0 0 "[ . 1]" 1
743 1 39 ILE H 1 93 LEU H . . 4.250 3.456 3.094 3.895 . 0 0 "[ . 1]" 1
744 1 93 LEU H 1 93 LEU MD1 . . 5.480 4.664 4.426 4.752 . 0 0 "[ . 1]" 1
745 1 40 PRO HA 1 93 LEU H . . 4.560 4.125 3.805 4.392 . 0 0 "[ . 1]" 1
746 1 93 LEU H 1 93 LEU HG . . 3.980 4.477 4.298 4.607 0.627 8 7 "[ -* ***+*1]" 1
747 1 93 LEU H 1 93 LEU MD2 . . 5.480 3.838 3.425 4.510 . 0 0 "[ . 1]" 1
748 1 93 LEU H 1 94 VAL QG . . 5.500 3.655 3.352 4.850 . 0 0 "[ . 1]" 1
749 1 96 TYR HE1 1 132 HIS H . . 4.770 4.602 4.302 4.805 0.035 3 0 "[ . 1]" 1
750 1 96 TYR HD1 1 132 HIS H . . 5.500 5.648 5.582 5.716 0.216 5 0 "[ . 1]" 1
751 1 131 PHE HD1 1 132 HIS H . . 4.850 4.520 4.098 4.878 0.028 4 0 "[ . 1]" 1
752 1 132 HIS H 1 132 HIS HD2 . . 4.980 4.567 2.199 4.969 . 0 0 "[ . 1]" 1
753 1 119 PRO HA 1 120 ILE H . . 3.560 2.360 2.189 2.481 . 0 0 "[ . 1]" 1
754 1 120 ILE H 1 120 ILE HG12 . . 4.220 2.280 1.851 3.307 . 0 0 "[ . 1]" 1
755 1 120 ILE H 1 120 ILE HG13 . . 4.220 2.633 1.768 3.684 . 0 0 "[ . 1]" 1
756 1 120 ILE H 1 120 ILE MG . . 3.950 2.993 2.366 3.799 . 0 0 "[ . 1]" 1
757 1 120 ILE H 1 121 ASN HA . . 5.500 5.214 5.031 5.431 . 0 0 "[ . 1]" 1
758 1 120 ILE H 1 120 ILE MD . . 4.020 3.203 1.816 3.663 . 0 0 "[ . 1]" 1
759 1 119 PRO QB 1 120 ILE H . . 4.050 3.850 3.626 3.944 . 0 0 "[ . 1]" 1
760 1 91 ASN HD21 1 120 ILE H . . 5.500 5.344 4.303 6.017 0.517 5 1 "[ + 1]" 1
761 1 119 PRO QG 1 120 ILE H . . 4.790 4.685 4.605 4.751 . 0 0 "[ . 1]" 1
762 1 120 ILE H 1 120 ILE HB . . 3.530 3.444 2.638 3.667 0.137 7 0 "[ . 1]" 1
763 1 72 LEU H 1 72 LEU HB3 . . 4.090 2.383 2.135 2.919 . 0 0 "[ . 1]" 1
764 1 71 VAL QG 1 72 LEU H . . 3.700 3.372 3.262 3.471 . 0 0 "[ . 1]" 1
765 1 24 LEU QD 1 25 GLU H . . 4.290 2.840 2.331 3.844 . 0 0 "[ . 1]" 1
766 1 72 LEU H 1 72 LEU HB2 . . 4.090 2.689 2.163 2.961 . 0 0 "[ . 1]" 1
767 1 72 LEU H 1 72 LEU HG . . 4.550 4.308 4.086 4.537 . 0 0 "[ . 1]" 1
768 1 71 VAL HB 1 72 LEU H . . 3.850 2.883 2.631 3.047 . 0 0 "[ . 1]" 1
769 1 44 GLN HA 1 44 GLN HE21 . . 4.140 2.223 1.827 2.917 . 0 0 "[ . 1]" 1
770 1 8 ALA HA 1 11 ASN HD21 . . 4.530 2.113 1.795 2.683 . 0 0 "[ . 1]" 1
771 1 118 LYS H 1 118 LYS QG . . 3.870 2.797 1.974 3.561 . 0 0 "[ . 1]" 1
772 1 117 PHE HB2 1 118 LYS H . . 4.710 2.879 1.903 4.287 . 0 0 "[ . 1]" 1
773 1 118 LYS H 1 119 PRO QD . . 4.580 4.094 3.662 4.376 . 0 0 "[ . 1]" 1
774 1 117 PHE H 1 118 LYS H . . 3.820 3.061 2.291 4.578 0.758 3 2 "[ + .- 1]" 1
775 1 117 PHE HB3 1 118 LYS H . . 4.710 3.734 2.519 4.625 . 0 0 "[ . 1]" 1
776 1 118 LYS H 1 118 LYS HB3 . . 3.980 3.476 2.777 4.038 0.058 3 0 "[ . 1]" 1
777 1 118 LYS H 1 118 LYS QE . . 5.460 4.455 3.632 4.916 . 0 0 "[ . 1]" 1
778 1 118 LYS H 1 118 LYS HB2 . . 3.980 3.297 2.332 3.998 0.018 4 0 "[ . 1]" 1
779 1 64 SER HA 1 67 ASN H . . 5.420 4.755 4.652 4.825 . 0 0 "[ . 1]" 1
780 1 67 ASN H 1 68 ARG H . . 4.240 2.477 2.440 2.522 . 0 0 "[ . 1]" 1
781 1 67 ASN H 1 67 ASN HD22 . . 5.500 3.956 3.782 4.169 . 0 0 "[ . 1]" 1
782 1 66 VAL HB 1 67 ASN H . . 4.090 3.922 3.273 4.283 0.193 5 0 "[ . 1]" 1
783 1 62 ILE MD 1 67 ASN H . . 4.510 6.088 6.013 6.240 1.730 5 10 [***-+*****] 1
784 1 66 VAL QG 1 67 ASN H . . 4.980 2.810 2.393 3.556 . 0 0 "[ . 1]" 1
785 1 47 ARG HB3 1 48 VAL H . . 3.870 3.238 2.800 3.820 . 0 0 "[ . 1]" 1
786 1 48 VAL H 1 50 LYS H . . 4.440 4.229 4.189 4.297 . 0 0 "[ . 1]" 1
787 1 48 VAL H 1 48 VAL MG2 . . 3.670 2.685 2.364 3.534 . 0 0 "[ . 1]" 1
788 1 45 ILE MG 1 48 VAL H . . 4.240 3.814 3.609 3.998 . 0 0 "[ . 1]" 1
789 1 47 ARG HB2 1 48 VAL H . . 3.870 3.344 2.848 3.838 . 0 0 "[ . 1]" 1
790 1 48 VAL H 1 49 ALA MB . . 4.610 4.487 4.447 4.530 . 0 0 "[ . 1]" 1
791 1 48 VAL H 1 48 VAL MG1 . . 3.670 3.361 1.723 3.728 0.058 5 0 "[ . 1]" 1
792 1 76 THR MG 1 77 SER H . . 4.160 3.581 2.252 3.851 . 0 0 "[ . 1]" 1
793 1 75 ILE H 1 77 SER H . . 4.550 3.998 3.965 4.045 . 0 0 "[ . 1]" 1
794 1 76 THR HA 1 77 SER H . . 3.550 3.487 3.463 3.505 . 0 0 "[ . 1]" 1
795 1 77 SER H 1 78 VAL H . . 3.480 2.639 2.501 2.809 . 0 0 "[ . 1]" 1
796 1 77 SER H 1 77 SER QB . . 3.350 2.200 2.157 2.332 . 0 0 "[ . 1]" 1
797 1 77 SER H 1 77 SER HG . . 4.270 4.008 3.794 4.147 . 0 0 "[ . 1]" 1
798 1 76 THR H 1 77 SER H . . 3.830 2.526 2.422 2.660 . 0 0 "[ . 1]" 1
799 1 88 VAL H 1 88 VAL MG2 . . 3.720 2.764 1.840 3.521 . 0 0 "[ . 1]" 1
800 1 88 VAL H 1 88 VAL MG1 . . 3.720 2.815 2.031 3.103 . 0 0 "[ . 1]" 1
801 1 45 ILE MD 1 88 VAL H . . 4.000 2.716 1.858 3.364 . 0 0 "[ . 1]" 1
802 1 45 ILE QG 1 88 VAL H . . 5.260 3.585 2.654 4.989 . 0 0 "[ . 1]" 1
803 1 88 VAL H 1 88 VAL HB . . 3.690 2.875 2.140 3.627 . 0 0 "[ . 1]" 1
804 1 87 LYS H 1 88 VAL H . . 4.520 4.339 4.226 4.396 . 0 0 "[ . 1]" 1
805 1 87 LYS HA 1 88 VAL H . . 3.140 2.222 2.140 2.281 . 0 0 "[ . 1]" 1
806 1 7 ALA H 1 7 ALA MB . . 2.880 2.119 2.032 2.222 . 0 0 "[ . 1]" 1
807 1 6 SER QB 1 7 ALA H . . 3.220 2.920 2.652 3.224 0.004 3 0 "[ . 1]" 1
808 1 124 LEU HB3 1 125 PHE H . . 4.380 4.266 3.650 4.375 . 0 0 "[ . 1]" 1
809 1 124 LEU HA 1 125 PHE H . . 3.070 2.276 2.139 3.381 0.311 4 0 "[ . 1]" 1
810 1 124 LEU HB2 1 125 PHE H . . 4.380 3.577 3.291 4.346 . 0 0 "[ . 1]" 1
811 1 125 PHE H 1 125 PHE HD1 . . 4.960 4.613 4.075 4.790 . 0 0 "[ . 1]" 1
812 1 125 PHE H 1 125 PHE HB3 . . 4.050 2.841 2.646 3.209 . 0 0 "[ . 1]" 1
813 1 125 PHE H 1 125 PHE HB2 . . 4.050 3.013 2.470 3.222 . 0 0 "[ . 1]" 1
814 1 38 ILE QG 1 124 LEU H . . 5.150 4.580 3.455 5.226 0.076 8 0 "[ . 1]" 1
815 1 38 ILE HB 1 124 LEU H . . 3.800 2.932 2.322 3.489 . 0 0 "[ . 1]" 1
816 1 37 LEU HA 1 124 LEU H . . 5.500 4.373 4.107 4.779 . 0 0 "[ . 1]" 1
817 1 124 LEU H 1 125 PHE HA . . 5.500 4.597 4.140 4.809 . 0 0 "[ . 1]" 1
818 1 124 LEU H 1 124 LEU MD2 . . 4.410 4.005 3.462 4.411 0.001 2 0 "[ . 1]" 1
819 1 124 LEU H 1 124 LEU HG . . 3.980 2.955 2.140 3.801 . 0 0 "[ . 1]" 1
820 1 123 SER QB 1 124 LEU H . . 3.660 2.705 2.283 3.328 . 0 0 "[ . 1]" 1
821 1 38 ILE H 1 124 LEU H . . 4.190 2.715 2.426 3.074 . 0 0 "[ . 1]" 1
822 1 124 LEU H 1 124 LEU MD1 . . 4.410 3.990 3.508 4.360 . 0 0 "[ . 1]" 1
823 1 123 SER HA 1 124 LEU H . . 3.470 2.350 2.169 2.461 . 0 0 "[ . 1]" 1
824 1 107 GLU H 1 108 LYS H . . 4.610 4.319 4.104 4.412 . 0 0 "[ . 1]" 1
825 1 108 LYS H 1 108 LYS QB . . 3.510 2.791 2.713 3.003 . 0 0 "[ . 1]" 1
826 1 107 GLU HB2 1 108 LYS H . . 4.250 2.873 2.576 3.315 . 0 0 "[ . 1]" 1
827 1 99 THR MG 1 108 LYS H . . 3.650 2.513 2.275 2.900 . 0 0 "[ . 1]" 1
828 1 100 ILE MD 1 108 LYS H . . 4.170 3.362 2.152 4.196 0.026 7 0 "[ . 1]" 1
829 1 107 GLU HB3 1 108 LYS H . . 4.250 4.043 3.904 4.239 . 0 0 "[ . 1]" 1
830 1 102 THR MG 1 108 LYS H . . 5.500 4.686 4.262 4.981 . 0 0 "[ . 1]" 1
831 1 108 LYS H 1 109 LYS HA . . 4.910 4.613 4.213 4.699 . 0 0 "[ . 1]" 1
832 1 107 GLU HA 1 108 LYS H . . 3.120 2.254 2.147 2.359 . 0 0 "[ . 1]" 1
833 1 37 LEU MD1 1 38 ILE H . . 4.680 3.755 2.498 4.452 . 0 0 "[ . 1]" 1
834 1 37 LEU MD2 1 38 ILE H . . 4.680 3.390 2.275 4.603 . 0 0 "[ . 1]" 1
835 1 38 ILE H 1 125 PHE HD1 . . 5.140 4.863 4.155 5.530 0.390 2 0 "[ . 1]" 1
836 1 38 ILE H 1 38 ILE MD . . 4.010 2.758 2.073 3.747 . 0 0 "[ . 1]" 1
837 1 38 ILE H 1 125 PHE H . . 5.200 4.802 2.711 5.253 0.053 8 0 "[ . 1]" 1
838 1 38 ILE H 1 38 ILE QG . . 3.280 3.209 2.542 3.617 0.337 10 0 "[ . 1]" 1
839 1 129 ASN H 1 129 ASN HD21 . . 5.110 3.690 1.898 4.855 . 0 0 "[ . 1]" 1
840 1 128 ASP QB 1 129 ASN H . . 3.750 1.920 1.713 2.106 . 0 0 "[ . 1]" 1
841 1 91 ASN H 1 91 ASN HB3 . . 4.180 3.500 3.427 3.608 . 0 0 "[ . 1]" 1
842 1 90 PRO QG 1 91 ASN H . . 4.030 3.062 2.917 3.174 . 0 0 "[ . 1]" 1
843 1 91 ASN H 1 91 ASN HD22 . . 5.500 4.968 4.505 5.215 . 0 0 "[ . 1]" 1
844 1 91 ASN H 1 91 ASN HB2 . . 4.180 2.232 2.167 2.410 . 0 0 "[ . 1]" 1
845 1 90 PRO QD 1 91 ASN H . . 4.940 2.819 2.744 2.883 . 0 0 "[ . 1]" 1
846 1 89 PRO QB 1 91 ASN H . . 4.240 2.245 2.226 2.277 . 0 0 "[ . 1]" 1
847 1 91 ASN H 1 91 ASN HD21 . . 4.790 4.314 2.972 4.652 . 0 0 "[ . 1]" 1
848 1 41 PRO QD 1 91 ASN H . . 5.500 5.565 5.490 5.635 0.135 3 0 "[ . 1]" 1
849 1 136 LEU H 1 136 LEU HB3 . . 3.760 3.169 2.233 3.588 . 0 0 "[ . 1]" 1
850 1 136 LEU H 1 136 LEU HG . . 3.420 3.014 1.939 3.952 0.532 1 1 "[+ . 1]" 1
851 1 135 ALA MB 1 136 LEU H . . 3.930 2.302 2.217 2.438 . 0 0 "[ . 1]" 1
852 1 136 LEU H 1 137 THR H . . 3.370 2.655 2.408 2.817 . 0 0 "[ . 1]" 1
853 1 136 LEU H 1 136 LEU MD1 . . 4.160 3.735 3.268 4.232 0.072 4 0 "[ . 1]" 1
854 1 135 ALA H 1 136 LEU H . . 3.840 2.766 2.639 2.865 . 0 0 "[ . 1]" 1
855 1 136 LEU H 1 136 LEU HB2 . . 3.760 2.681 2.123 3.589 . 0 0 "[ . 1]" 1
856 1 136 LEU H 1 136 LEU MD2 . . 4.160 3.029 1.830 4.227 0.067 5 0 "[ . 1]" 1
857 1 64 SER HB3 1 66 VAL H . . 4.010 2.816 2.625 3.118 . 0 0 "[ . 1]" 1
858 1 65 ARG QB 1 66 VAL H . . 3.900 3.049 2.907 3.518 . 0 0 "[ . 1]" 1
859 1 66 VAL H 1 66 VAL HB . . 4.160 3.284 2.550 3.600 . 0 0 "[ . 1]" 1
860 1 65 ARG H 1 66 VAL H . . 4.160 2.797 2.773 2.828 . 0 0 "[ . 1]" 1
861 1 65 ARG HA 1 66 VAL H . . 3.530 3.457 3.445 3.472 . 0 0 "[ . 1]" 1
862 1 66 VAL H 1 67 ASN H . . 3.720 2.691 2.665 2.702 . 0 0 "[ . 1]" 1
863 1 66 VAL H 1 66 VAL QG . . 3.120 2.034 1.942 2.250 . 0 0 "[ . 1]" 1
864 1 121 ASN HA 1 121 ASN HD22 . . 5.290 3.737 3.542 3.951 . 0 0 "[ . 1]" 1
865 1 121 ASN H 1 121 ASN HD22 . . 4.400 3.747 3.586 4.038 . 0 0 "[ . 1]" 1
866 1 61 ASN HA 1 61 ASN HD21 . . 4.550 4.296 4.046 4.489 . 0 0 "[ . 1]" 1
867 1 60 SER QB 1 61 ASN HD21 . . 5.030 4.757 4.523 5.015 . 0 0 "[ . 1]" 1
868 1 61 ASN H 1 61 ASN HD21 . . 3.000 3.125 3.066 3.193 0.193 5 0 "[ . 1]" 1
869 1 58 THR MG 1 61 ASN HD21 . . 4.600 3.827 3.191 4.072 . 0 0 "[ . 1]" 1
870 1 58 THR HB 1 61 ASN HD21 . . 4.820 4.546 3.940 4.880 0.060 4 0 "[ . 1]" 1
871 1 78 VAL HA 1 81 ARG H . . 4.470 3.382 3.257 3.458 . 0 0 "[ . 1]" 1
872 1 81 ARG H 1 83 LYS H . . 4.590 4.038 3.961 4.091 . 0 0 "[ . 1]" 1
873 1 80 GLN HB2 1 81 ARG H . . 4.710 4.176 4.102 4.252 . 0 0 "[ . 1]" 1
874 1 80 GLN HG2 1 81 ARG H . . 4.450 2.316 2.176 2.463 . 0 0 "[ . 1]" 1
875 1 81 ARG H 1 81 ARG HB2 . . 2.930 2.145 2.111 2.249 . 0 0 "[ . 1]" 1
876 1 80 GLN HB3 1 81 ARG H . . 4.710 3.873 3.747 4.011 . 0 0 "[ . 1]" 1
877 1 81 ARG H 1 82 LEU H . . 3.610 2.897 2.853 2.932 . 0 0 "[ . 1]" 1
878 1 81 ARG H 1 81 ARG HB3 . . 3.660 3.454 3.421 3.530 . 0 0 "[ . 1]" 1
879 1 80 GLN HG3 1 81 ARG H . . 4.450 3.416 3.230 3.540 . 0 0 "[ . 1]" 1
880 1 81 ARG H 1 81 ARG QD . . 4.690 4.423 4.132 4.690 0.000 1 0 "[ . 1]" 1
881 1 45 ILE H 1 47 ARG H . . 5.120 4.578 4.133 4.799 . 0 0 "[ . 1]" 1
882 1 47 ARG H 1 47 ARG HB3 . . 3.730 3.164 2.706 3.586 . 0 0 "[ . 1]" 1
883 1 47 ARG H 1 47 ARG QG . . 3.980 3.347 2.184 4.066 0.086 7 0 "[ . 1]" 1
884 1 45 ILE HA 1 47 ARG H . . 5.170 4.237 3.867 4.546 . 0 0 "[ . 1]" 1
885 1 47 ARG H 1 47 ARG HB2 . . 3.730 2.311 2.197 2.480 . 0 0 "[ . 1]" 1
886 1 44 GLN HA 1 47 ARG H . . 5.150 4.937 4.714 5.067 . 0 0 "[ . 1]" 1
887 1 44 GLN QG 1 47 ARG H . . 5.180 4.065 3.271 4.402 . 0 0 "[ . 1]" 1
888 1 46 SER QB 1 47 ARG H . . 4.020 2.640 2.174 3.474 . 0 0 "[ . 1]" 1
889 1 47 ARG H 1 48 VAL H . . 3.640 2.600 2.514 2.655 . 0 0 "[ . 1]" 1
890 1 11 ASN H 1 11 ASN HD22 . . 4.740 4.456 4.118 4.711 . 0 0 "[ . 1]" 1
891 1 10 ARG QB 1 11 ASN H . . 3.410 2.654 2.220 3.400 . 0 0 "[ . 1]" 1
892 1 11 ASN H 1 11 ASN QB . . 3.030 2.200 2.152 2.267 . 0 0 "[ . 1]" 1
893 1 7 ALA HA 1 11 ASN H . . 4.540 3.833 3.418 4.234 . 0 0 "[ . 1]" 1
894 1 11 ASN H 1 13 GLU H . . 4.660 4.577 4.096 4.816 0.156 3 0 "[ . 1]" 1
895 1 11 ASN H 1 11 ASN HD21 . . 4.740 3.622 3.069 4.146 . 0 0 "[ . 1]" 1
896 1 10 ARG QG 1 11 ASN H . . 4.460 3.778 2.106 4.422 . 0 0 "[ . 1]" 1
897 1 64 SER H 1 64 SER HB3 . . 3.840 3.569 3.508 3.628 . 0 0 "[ . 1]" 1
898 1 64 SER H 1 67 ASN QB . . 4.200 4.055 3.823 4.196 . 0 0 "[ . 1]" 1
899 1 63 LYS QB 1 64 SER H . . 3.440 3.415 2.782 3.522 0.082 8 0 "[ . 1]" 1
900 1 64 SER H 1 65 ARG H . . 4.740 4.335 4.294 4.382 . 0 0 "[ . 1]" 1
901 1 64 SER H 1 64 SER HB2 . . 3.350 2.417 2.208 2.789 . 0 0 "[ . 1]" 1
902 1 63 LYS H 1 64 SER H . . 3.820 2.416 2.355 2.464 . 0 0 "[ . 1]" 1
903 1 62 ILE HA 1 64 SER H . . 4.420 4.085 4.040 4.179 . 0 0 "[ . 1]" 1
904 1 63 LYS QG 1 64 SER H . . 4.010 2.362 1.942 3.975 . 0 0 "[ . 1]" 1
905 1 23 SER H 1 23 SER QB . . 3.100 2.267 2.225 2.395 . 0 0 "[ . 1]" 1
906 1 22 LYS H 1 23 SER H . . 3.450 2.827 2.672 2.965 . 0 0 "[ . 1]" 1
907 1 22 LYS QG 1 23 SER H . . 4.220 3.889 3.273 4.179 . 0 0 "[ . 1]" 1
908 1 21 ILE HA 1 23 SER H . . 5.350 5.113 4.970 5.294 . 0 0 "[ . 1]" 1
909 1 23 SER H 1 24 LEU H . . 3.510 2.682 2.547 2.835 . 0 0 "[ . 1]" 1
910 1 21 ILE MG 1 23 SER H . . 4.300 4.176 4.073 4.280 . 0 0 "[ . 1]" 1
911 1 23 SER H 1 25 GLU H . . 4.840 4.636 4.427 4.762 . 0 0 "[ . 1]" 1
912 1 23 SER H 1 24 LEU QB . . 4.660 4.418 4.255 4.600 . 0 0 "[ . 1]" 1
913 1 22 LYS QB 1 23 SER H . . 3.090 2.217 2.089 2.364 . 0 0 "[ . 1]" 1
914 1 79 GLN HB2 1 79 GLN HE22 . . 5.370 4.040 3.546 4.396 . 0 0 "[ . 1]" 1
915 1 49 ALA HA 1 79 GLN HE22 . . 5.290 5.534 5.301 5.718 0.428 2 0 "[ . 1]" 1
916 1 53 ALA MB 1 79 GLN HE22 . . 4.330 4.393 4.205 4.466 0.136 4 0 "[ . 1]" 1
917 1 53 ALA HA 1 79 GLN HE22 . . 4.290 3.383 3.267 3.482 . 0 0 "[ . 1]" 1
918 1 49 ALA MB 1 79 GLN HE22 . . 5.470 5.528 5.287 5.649 0.179 10 0 "[ . 1]" 1
919 1 75 ILE MD 1 79 GLN HE22 . . 5.500 2.881 1.906 3.926 . 0 0 "[ . 1]" 1
920 1 79 GLN HA 1 79 GLN HE22 . . 4.870 5.171 4.899 5.368 0.498 4 0 "[ . 1]" 1
921 1 7 ALA HA 1 11 ASN QD . . 4.760 4.513 4.005 4.835 0.075 9 0 "[ . 1]" 1
922 1 7 ALA MB 1 11 ASN QD . . 4.740 3.316 2.630 4.051 . 0 0 "[ . 1]" 1
923 1 8 ALA MB 1 11 ASN QD . . 5.340 3.429 3.130 3.942 . 0 0 "[ . 1]" 1
924 1 11 ASN H 1 11 ASN QD . . 3.900 3.459 2.989 3.891 . 0 0 "[ . 1]" 1
925 1 14 ILE H 1 14 ILE QG . . 3.560 2.405 2.074 3.873 0.313 7 0 "[ . 1]" 1
926 1 14 ILE QG 1 15 TRP H . . 3.890 2.462 1.997 4.327 0.437 7 0 "[ . 1]" 1
927 1 16 LYS H 1 16 LYS QG . . 3.370 2.264 1.823 2.821 . 0 0 "[ . 1]" 1
928 1 20 LEU H 1 20 LEU QB . . 2.990 2.230 2.140 2.271 . 0 0 "[ . 1]" 1
929 1 20 LEU QB 1 21 ILE H . . 3.260 2.337 2.003 2.557 . 0 0 "[ . 1]" 1
930 1 28 ARG H 1 28 ARG QD . . 4.810 4.331 3.527 4.861 0.051 9 0 "[ . 1]" 1
931 1 28 ARG QD 1 29 GLY H . . 4.370 4.470 4.014 4.767 0.397 2 0 "[ . 1]" 1
932 1 28 ARG QD 1 129 ASN H . . 5.340 5.020 4.693 5.454 0.114 8 0 "[ . 1]" 1
933 1 28 ARG QD 1 130 LYS H . . 4.730 4.218 3.673 4.480 . 0 0 "[ . 1]" 1
934 1 29 GLY QA 1 30 ASN H . . 3.000 2.198 2.120 2.280 . 0 0 "[ . 1]" 1
935 1 29 GLY QA 1 31 GLY H . . 4.430 3.464 3.240 4.201 . 0 0 "[ . 1]" 1
936 1 30 ASN QD 1 31 GLY QA . . 5.160 3.254 2.599 3.799 . 0 0 "[ . 1]" 1
937 1 33 SER QB 1 34 MET H . . 4.100 3.674 3.213 3.987 . 0 0 "[ . 1]" 1
938 1 35 ILE H 1 35 ILE QG . . 4.170 3.000 2.257 4.117 . 0 0 "[ . 1]" 1
939 1 35 ILE QG 1 36 SER H . . 4.780 3.648 2.201 4.673 . 0 0 "[ . 1]" 1
940 1 36 SER H 1 37 LEU QB . . 5.040 4.354 4.008 4.789 . 0 0 "[ . 1]" 1
941 1 37 LEU H 1 37 LEU QB . . 3.570 2.636 2.478 2.867 . 0 0 "[ . 1]" 1
942 1 37 LEU H 1 37 LEU QD . . 3.920 3.062 1.765 3.909 . 0 0 "[ . 1]" 1
943 1 37 LEU H 1 95 VAL QG . . 4.830 3.138 1.973 4.388 . 0 0 "[ . 1]" 1
944 1 37 LEU QB 1 95 VAL H . . 4.530 4.288 3.565 4.771 0.241 5 0 "[ . 1]" 1
945 1 37 LEU QD 1 38 ILE H . . 3.840 2.859 2.261 3.498 . 0 0 "[ . 1]" 1
946 1 37 LEU QD 1 95 VAL H . . 4.380 2.929 1.869 3.859 . 0 0 "[ . 1]" 1
947 1 37 LEU QD 1 124 LEU H . . 5.440 4.350 3.778 5.044 . 0 0 "[ . 1]" 1
948 1 38 ILE H 1 124 LEU QB . . 4.360 4.423 3.476 4.799 0.439 4 0 "[ . 1]" 1
949 1 43 ASP H 1 88 VAL QG . . 4.820 4.564 3.436 5.238 0.418 10 0 "[ . 1]" 1
950 1 44 GLN H 1 44 GLN QB . . 3.200 2.590 2.504 2.668 . 0 0 "[ . 1]" 1
951 1 44 GLN H 1 44 GLN QE . . 4.550 4.230 3.852 4.495 . 0 0 "[ . 1]" 1
952 1 44 GLN H 1 88 VAL QG . . 5.110 5.961 4.625 6.658 1.548 10 8 "[*** -** *+]" 1
953 1 44 GLN QB 1 45 ILE H . . 4.300 3.513 3.423 3.658 . 0 0 "[ . 1]" 1
954 1 44 GLN QB 1 46 SER H . . 3.970 3.362 3.115 3.910 . 0 0 "[ . 1]" 1
955 1 44 GLN QB 1 47 ARG H . . 3.520 2.985 2.794 3.258 . 0 0 "[ . 1]" 1
956 1 44 GLN QE 1 87 LYS QB . . 4.740 3.192 2.322 4.869 0.129 1 0 "[ . 1]" 1
957 1 44 GLN QE 1 88 VAL H . . 5.120 4.565 3.740 5.301 0.181 7 0 "[ . 1]" 1
958 1 44 GLN QE 1 88 VAL QG . . 5.270 4.658 3.623 5.188 . 0 0 "[ . 1]" 1
959 1 45 ILE H 1 88 VAL QG . . 3.910 4.706 3.606 5.632 1.722 2 6 "[ +* -* **]" 1
960 1 47 ARG H 1 47 ARG QB . . 3.270 2.242 2.136 2.437 . 0 0 "[ . 1]" 1
961 1 47 ARG H 1 47 ARG QD . . 4.870 3.859 2.335 4.725 . 0 0 "[ . 1]" 1
962 1 47 ARG H 1 48 VAL QG . . 5.030 4.210 3.301 4.562 . 0 0 "[ . 1]" 1
963 1 47 ARG QB 1 48 VAL H . . 3.230 2.774 2.732 2.830 . 0 0 "[ . 1]" 1
964 1 48 VAL H 1 48 VAL QG . . 2.870 2.444 1.691 2.845 . 0 0 "[ . 1]" 1
965 1 48 VAL QG 1 49 ALA H . . 2.400 2.263 1.614 2.531 0.131 10 0 "[ . 1]" 1
966 1 48 VAL QG 1 51 MET H . . 4.940 4.303 4.163 4.636 . 0 0 "[ . 1]" 1
967 1 51 MET H 1 51 MET QB . . 3.070 2.240 2.142 2.462 . 0 0 "[ . 1]" 1
968 1 51 MET QB 1 52 LEU H . . 3.810 2.362 2.197 2.504 . 0 0 "[ . 1]" 1
969 1 52 LEU QB 1 53 ALA H . . 4.290 2.936 2.868 2.988 . 0 0 "[ . 1]" 1
970 1 52 LEU QB 1 79 GLN HE21 . . 5.090 2.213 1.692 3.053 . 0 0 "[ . 1]" 1
971 1 54 ASP H 1 54 ASP QB . . 3.170 2.246 2.187 2.331 . 0 0 "[ . 1]" 1
972 1 55 GLU H 1 55 GLU QG . . 4.550 3.592 2.770 4.060 . 0 0 "[ . 1]" 1
973 1 56 PHE H 1 75 ILE QG . . 4.110 3.302 3.054 3.464 . 0 0 "[ . 1]" 1
974 1 56 PHE QB 1 57 GLY H . . 3.640 3.115 2.487 3.503 . 0 0 "[ . 1]" 1
975 1 56 PHE QB 1 79 GLN HE22 . . 5.340 4.231 3.931 4.815 . 0 0 "[ . 1]" 1
976 1 61 ASN H 1 62 ILE QG . . 4.240 3.692 3.661 3.741 . 0 0 "[ . 1]" 1
977 1 62 ILE H 1 62 ILE QG . . 3.080 1.907 1.886 1.921 . 0 0 "[ . 1]" 1
978 1 62 ILE QG 1 67 ASN HD21 . . 4.350 4.254 3.986 4.501 0.151 8 0 "[ . 1]" 1
979 1 62 ILE QG 1 68 ARG H . . 4.700 4.291 4.117 4.472 . 0 0 "[ . 1]" 1
980 1 69 LEU H 1 69 LEU QB . . 3.070 2.192 2.132 2.237 . 0 0 "[ . 1]" 1
981 1 69 LEU QB 1 70 SER H . . 3.510 2.218 2.107 2.333 . 0 0 "[ . 1]" 1
982 1 71 VAL H 1 72 LEU QB . . 4.690 4.391 4.349 4.474 . 0 0 "[ . 1]" 1
983 1 71 VAL H 1 72 LEU QD . . 5.440 5.398 5.166 5.559 0.119 4 0 "[ . 1]" 1
984 1 72 LEU H 1 72 LEU QB . . 3.370 2.114 2.089 2.148 . 0 0 "[ . 1]" 1
985 1 72 LEU H 1 72 LEU QD . . 4.300 3.553 3.368 3.694 . 0 0 "[ . 1]" 1
986 1 72 LEU QB 1 73 GLY H . . 3.340 2.761 2.561 2.894 . 0 0 "[ . 1]" 1
987 1 72 LEU QD 1 73 GLY H . . 4.330 3.432 2.456 3.964 . 0 0 "[ . 1]" 1
988 1 75 ILE H 1 75 ILE QG . . 4.680 4.066 3.943 4.092 . 0 0 "[ . 1]" 1
989 1 75 ILE QG 1 76 THR H . . 5.340 3.881 3.265 4.333 . 0 0 "[ . 1]" 1
990 1 75 ILE QG 1 79 GLN HE21 . . 3.460 3.129 2.902 3.579 0.119 9 0 "[ . 1]" 1
991 1 75 ILE QG 1 79 GLN HE22 . . 5.340 2.558 1.829 3.803 . 0 0 "[ . 1]" 1
992 1 77 SER HA 1 111 ASN QD . . 4.160 3.962 3.373 4.345 0.185 5 0 "[ . 1]" 1
993 1 78 VAL H 1 78 VAL QG . . 2.380 2.129 1.828 2.643 0.263 9 0 "[ . 1]" 1
994 1 78 VAL QG 1 79 GLN H . . 3.510 2.240 1.844 2.975 . 0 0 "[ . 1]" 1
995 1 78 VAL QG 1 79 GLN HE22 . . 5.440 5.128 4.035 5.738 0.298 9 0 "[ . 1]" 1
996 1 78 VAL QG 1 80 GLN H . . 4.680 4.555 4.320 4.853 0.173 7 0 "[ . 1]" 1
997 1 78 VAL QG 1 82 LEU H . . 5.120 3.687 3.248 4.676 . 0 0 "[ . 1]" 1
998 1 79 GLN H 1 79 GLN QG . . 3.630 3.714 3.623 3.808 0.178 9 0 "[ . 1]" 1
999 1 79 GLN HE21 1 79 GLN QG . . 2.600 2.172 2.092 2.333 . 0 0 "[ . 1]" 1
1000 1 79 GLN HE22 1 79 GLN QG . . 3.360 3.251 3.217 3.335 . 0 0 "[ . 1]" 1
1001 1 79 GLN QG 1 80 GLN H . . 4.690 3.828 3.580 4.039 . 0 0 "[ . 1]" 1
1002 1 80 GLN H 1 80 GLN QB . . 3.110 2.259 2.150 2.370 . 0 0 "[ . 1]" 1
1003 1 80 GLN H 1 80 GLN QG . . 3.350 2.644 2.418 2.923 . 0 0 "[ . 1]" 1
1004 1 80 GLN H 1 81 ARG QG . . 5.140 4.937 4.568 5.096 . 0 0 "[ . 1]" 1
1005 1 80 GLN QB 1 81 ARG H . . 3.910 3.565 3.504 3.629 . 0 0 "[ . 1]" 1
1006 1 80 GLN QE 1 81 ARG QG . . 5.000 3.749 3.600 4.211 . 0 0 "[ . 1]" 1
1007 1 81 ARG H 1 81 ARG QG . . 3.620 2.962 2.707 3.056 . 0 0 "[ . 1]" 1
1008 1 81 ARG HB2 1 111 ASN QD . . 5.280 4.106 3.046 4.947 . 0 0 "[ . 1]" 1
1009 1 81 ARG QG 1 111 ASN QD . . 3.840 2.071 1.872 2.729 . 0 0 "[ . 1]" 1
1010 1 81 ARG QD 1 111 ASN QD . . 4.830 2.573 1.901 3.565 . 0 0 "[ . 1]" 1
1011 1 82 LEU H 1 82 LEU QB . . 3.040 2.208 2.091 2.587 . 0 0 "[ . 1]" 1
1012 1 82 LEU QB 1 83 LYS H . . 3.460 2.619 2.493 2.875 . 0 0 "[ . 1]" 1
1013 1 84 LEU H 1 84 LEU QB . . 2.700 2.196 2.086 2.357 . 0 0 "[ . 1]" 1
1014 1 84 LEU QB 1 85 TYR H . . 3.790 3.440 3.407 3.470 . 0 0 "[ . 1]" 1
1015 1 86 ASN H 1 86 ASN QD . . 4.220 3.193 1.989 4.142 . 0 0 "[ . 1]" 1
1016 1 86 ASN HA 1 86 ASN QD . . 3.810 3.481 2.041 3.871 0.061 1 0 "[ . 1]" 1
1017 1 87 LYS H 1 87 LYS QB . . 3.280 2.945 2.631 3.107 . 0 0 "[ . 1]" 1
1018 1 87 LYS H 1 87 LYS QG . . 3.380 2.569 2.214 3.037 . 0 0 "[ . 1]" 1
1019 1 87 LYS QB 1 88 VAL H . . 3.340 2.910 2.695 3.359 0.019 1 0 "[ . 1]" 1
1020 1 87 LYS QG 1 88 VAL H . . 4.420 4.002 3.690 4.458 0.038 3 0 "[ . 1]" 1
1021 1 88 VAL H 1 88 VAL QG . . 3.100 2.373 1.818 2.893 . 0 0 "[ . 1]" 1
1022 1 88 VAL QG 1 92 GLY H . . 3.740 3.460 3.000 4.246 0.506 5 1 "[ + 1]" 1
1023 1 88 VAL QG 1 93 LEU H . . 3.920 3.594 3.291 3.936 0.016 1 0 "[ . 1]" 1
1024 1 93 LEU H 1 93 LEU QB . . 3.580 2.584 2.522 2.622 . 0 0 "[ . 1]" 1
1025 1 93 LEU H 1 93 LEU QD . . 4.540 3.624 3.351 3.991 . 0 0 "[ . 1]" 1
1026 1 93 LEU QD 1 94 VAL H . . 4.430 3.265 2.625 3.528 . 0 0 "[ . 1]" 1
1027 1 95 VAL H 1 95 VAL QG . . 3.170 2.190 1.883 2.583 . 0 0 "[ . 1]" 1
1028 1 95 VAL QG 1 96 TYR H . . 3.580 2.677 1.911 3.458 . 0 0 "[ . 1]" 1
1029 1 95 VAL QG 1 97 CYS H . . 5.440 4.003 3.355 4.739 . 0 0 "[ . 1]" 1
1030 1 96 TYR QB 1 97 CYS H . . 4.000 3.408 2.951 3.592 . 0 0 "[ . 1]" 1
1031 1 96 TYR QB 1 112 ILE H . . 3.940 3.383 2.878 4.049 0.109 7 0 "[ . 1]" 1
1032 1 100 ILE H 1 100 ILE QG . . 3.370 2.140 1.918 3.336 . 0 0 "[ . 1]" 1
1033 1 100 ILE QG 1 108 LYS H . . 4.070 3.000 2.695 3.835 . 0 0 "[ . 1]" 1
1034 1 102 THR H 1 106 LYS QB . . 4.110 3.275 2.679 4.360 0.250 2 0 "[ . 1]" 1
1035 1 104 GLU H 1 104 GLU QB . . 3.450 2.589 2.524 2.619 . 0 0 "[ . 1]" 1
1036 1 104 GLU QB 1 105 GLY H . . 3.820 3.156 3.073 3.335 . 0 0 "[ . 1]" 1
1037 1 104 GLU QB 1 106 LYS H . . 4.570 3.616 3.343 3.811 . 0 0 "[ . 1]" 1
1038 1 106 LYS H 1 106 LYS QB . . 3.440 2.629 2.437 2.848 . 0 0 "[ . 1]" 1
1039 1 106 LYS QB 1 107 GLU H . . 3.070 2.240 2.097 2.458 . 0 0 "[ . 1]" 1
1040 1 107 GLU H 1 107 GLU QB . . 3.300 3.131 3.008 3.214 . 0 0 "[ . 1]" 1
1041 1 107 GLU H 1 107 GLU QG . . 3.240 2.417 2.186 2.653 . 0 0 "[ . 1]" 1
1042 1 107 GLU QB 1 108 LYS H . . 3.490 2.813 2.543 3.203 . 0 0 "[ . 1]" 1
1043 1 107 GLU QG 1 108 LYS H . . 4.400 3.736 3.412 4.115 . 0 0 "[ . 1]" 1
1044 1 108 LYS QG 1 109 LYS H . . 3.370 2.371 1.970 3.415 0.045 5 0 "[ . 1]" 1
1045 1 109 LYS H 1 109 LYS QG . . 3.380 2.151 1.928 3.020 . 0 0 "[ . 1]" 1
1046 1 109 LYS QG 1 110 VAL H . . 4.670 4.392 3.290 4.905 0.235 7 0 "[ . 1]" 1
1047 1 110 VAL H 1 110 VAL QG . . 4.050 2.599 2.309 2.826 . 0 0 "[ . 1]" 1
1048 1 110 VAL QG 1 111 ASN H . . 3.630 3.051 2.651 3.285 . 0 0 "[ . 1]" 1
1049 1 111 ASN H 1 111 ASN QD . . 4.450 2.874 1.879 4.011 . 0 0 "[ . 1]" 1
1050 1 111 ASN H 1 112 ILE QG . . 4.120 3.974 3.649 4.536 0.416 6 0 "[ . 1]" 1
1051 1 112 ILE H 1 112 ILE QG . . 3.750 2.940 2.652 3.830 0.080 6 0 "[ . 1]" 1
1052 1 112 ILE QG 1 113 ASP H . . 5.070 4.623 3.968 4.760 . 0 0 "[ . 1]" 1
1053 1 113 ASP H 1 113 ASP QB . . 3.580 2.792 2.608 2.981 . 0 0 "[ . 1]" 1
1054 1 117 PHE QB 1 118 LYS H . . 3.920 2.751 1.893 3.925 0.005 4 0 "[ . 1]" 1
1055 1 118 LYS H 1 118 LYS QB . . 3.480 2.846 2.302 3.454 . 0 0 "[ . 1]" 1
1056 1 120 ILE H 1 120 ILE QG . . 3.710 1.965 1.761 2.368 . 0 0 "[ . 1]" 1
1057 1 120 ILE QG 1 121 ASN H . . 4.950 4.369 4.054 4.848 . 0 0 "[ . 1]" 1
1058 1 121 ASN H 1 121 ASN QB . . 3.420 2.259 2.187 2.292 . 0 0 "[ . 1]" 1
1059 1 121 ASN QB 1 121 ASN HD22 . . 3.400 3.409 3.359 3.436 0.036 9 0 "[ . 1]" 1
1060 1 124 LEU H 1 124 LEU QB . . 3.470 3.086 2.719 3.270 . 0 0 "[ . 1]" 1
1061 1 124 LEU QB 1 125 PHE H . . 3.580 3.353 3.199 3.722 0.142 4 0 "[ . 1]" 1
1062 1 124 LEU QD 1 125 PHE H . . 3.330 3.304 2.118 3.973 0.643 7 1 "[ . + 1]" 1
1063 1 125 PHE QB 1 126 LEU H . . 4.320 3.878 3.791 3.986 . 0 0 "[ . 1]" 1
1064 1 126 LEU H 1 126 LEU QB . . 3.470 2.906 2.537 2.970 . 0 0 "[ . 1]" 1
1065 1 126 LEU H 1 126 LEU QD . . 4.200 3.982 3.746 4.149 . 0 0 "[ . 1]" 1
1066 1 126 LEU QB 1 127 CYS H . . 4.030 3.638 2.506 3.839 . 0 0 "[ . 1]" 1
1067 1 126 LEU QB 1 128 ASP H . . 4.970 5.064 4.370 5.727 0.757 4 1 "[ +. 1]" 1
1068 1 126 LEU QD 1 127 CYS H . . 3.580 2.708 2.036 3.548 . 0 0 "[ . 1]" 1
1069 1 127 CYS H 1 127 CYS QB . . 3.380 2.619 2.145 2.684 . 0 0 "[ . 1]" 1
1070 1 129 ASN H 1 129 ASN QD . . 4.430 3.404 1.879 4.376 . 0 0 "[ . 1]" 1
1071 1 129 ASN HA 1 129 ASN QD . . 4.350 3.346 2.446 4.166 . 0 0 "[ . 1]" 1
1072 1 130 LYS H 1 130 LYS QG . . 3.690 2.456 1.997 3.640 . 0 0 "[ . 1]" 1
1073 1 130 LYS QG 1 131 PHE H . . 4.660 3.869 2.911 4.296 . 0 0 "[ . 1]" 1
1074 1 136 LEU H 1 136 LEU QB . . 3.290 2.289 2.104 2.755 . 0 0 "[ . 1]" 1
1075 1 136 LEU H 1 136 LEU QD . . 3.410 2.765 1.825 3.447 0.037 6 0 "[ . 1]" 1
1076 1 14 ILE H 1 117 PHE QE . . 5.500 4.564 3.684 5.352 . 0 0 "[ . 1]" 1
1077 1 15 TRP HE1 1 19 LYS HA . . 5.500 5.117 4.573 5.478 . 0 0 "[ . 1]" 1
1078 1 17 ILE H 1 117 PHE HZ . . 5.500 5.594 5.379 5.701 0.201 3 0 "[ . 1]" 1
1079 1 53 ALA H 1 79 GLN HG3 . . 5.500 5.780 5.673 6.012 0.512 10 1 "[ . +]" 1
1080 1 94 VAL H 1 114 PHE HB2 . . 5.500 5.759 5.666 5.957 0.457 4 0 "[ . 1]" 1
1081 1 77 SER HG 1 111 ASN H . . 5.500 5.464 5.224 5.581 0.081 9 0 "[ . 1]" 1
1082 1 28 ARG HD2 1 130 LYS H . . 4.500 4.502 4.170 4.626 0.126 5 0 "[ . 1]" 1
1083 1 24 LEU HG 1 131 PHE H . . 5.500 4.683 3.830 5.692 0.192 5 0 "[ . 1]" 1
1084 1 124 LEU HB3 1 134 GLU H . . 5.500 5.599 5.520 5.688 0.188 10 0 "[ . 1]" 1
1085 1 117 PHE HZ 1 139 LEU H . . 5.500 5.377 5.107 5.567 0.067 5 0 "[ . 1]" 1
1086 1 117 PHE HZ 1 140 LEU H . . 5.500 5.535 5.452 5.587 0.087 4 0 "[ . 1]" 1
1087 1 13 GLU HA 1 14 ILE H . . 3.500 3.564 3.550 3.571 0.071 4 0 "[ . 1]" 1
1088 1 13 GLU HA 1 15 TRP H . . 4.400 4.078 3.906 4.291 . 0 0 "[ . 1]" 1
1089 1 13 GLU HA 1 16 LYS H . . 3.400 3.414 3.284 3.546 0.146 10 0 "[ . 1]" 1
1090 1 13 GLU HA 1 17 ILE H . . 4.200 4.334 4.120 4.474 0.274 9 0 "[ . 1]" 1
1091 1 14 ILE HA 1 15 TRP H . . 3.500 3.470 3.430 3.508 0.008 8 0 "[ . 1]" 1
1092 1 14 ILE HA 1 16 LYS H . . 4.400 4.258 4.094 4.457 0.057 9 0 "[ . 1]" 1
1093 1 14 ILE HA 1 18 LYS H . . 4.200 4.157 3.982 4.367 0.167 8 0 "[ . 1]" 1
1094 1 15 TRP HA 1 16 LYS H . . 3.400 3.502 3.478 3.537 0.137 9 0 "[ . 1]" 1
1095 1 15 TRP HA 1 19 LYS H . . 4.200 4.009 3.789 4.191 . 0 0 "[ . 1]" 1
1096 1 16 LYS HA 1 17 ILE H . . 3.400 3.513 3.489 3.533 0.133 4 0 "[ . 1]" 1
1097 1 16 LYS HA 1 19 LYS H . . 3.400 3.517 3.402 3.836 0.436 8 0 "[ . 1]" 1
1098 1 16 LYS HA 1 20 LEU H . . 4.200 3.895 3.670 4.151 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 436
_Distance_constraint_stats_list.Viol_total 680.711
_Distance_constraint_stats_list.Viol_max 0.662
_Distance_constraint_stats_list.Viol_rms 0.1327
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0945
_Distance_constraint_stats_list.Viol_average_violations_only 0.1561
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 SER 0.023 0.016 4 0 "[ . 1]"
1 7 ALA 0.009 0.009 8 0 "[ . 1]"
1 8 ALA 0.512 0.161 1 0 "[ . 1]"
1 9 ASP 0.799 0.178 1 0 "[ . 1]"
1 10 ARG 0.023 0.016 4 0 "[ . 1]"
1 11 ASN 0.975 0.187 4 0 "[ . 1]"
1 12 VAL 0.512 0.161 1 0 "[ . 1]"
1 13 GLU 0.799 0.178 1 0 "[ . 1]"
1 14 ILE 0.488 0.164 5 0 "[ . 1]"
1 15 TRP 1.061 0.187 4 0 "[ . 1]"
1 16 LYS 0.190 0.069 5 0 "[ . 1]"
1 17 ILE 0.902 0.237 8 0 "[ . 1]"
1 18 LYS 3.904 0.501 1 1 "[+ . 1]"
1 19 LYS 0.717 0.126 4 0 "[ . 1]"
1 20 LEU 0.190 0.069 5 0 "[ . 1]"
1 21 ILE 0.920 0.237 8 0 "[ . 1]"
1 22 LYS 4.875 0.501 1 1 "[+ . 1]"
1 23 SER 0.622 0.126 4 0 "[ . 1]"
1 24 LEU 0.050 0.034 5 0 "[ . 1]"
1 25 GLU 0.018 0.018 5 0 "[ . 1]"
1 26 ALA 1.459 0.257 3 0 "[ . 1]"
1 27 ALA 0.050 0.034 5 0 "[ . 1]"
1 34 MET 1.495 0.410 9 0 "[ . 1]"
1 35 ILE 0.503 0.171 9 0 "[ . 1]"
1 36 SER 0.870 0.163 5 0 "[ . 1]"
1 37 LEU 0.752 0.151 7 0 "[ . 1]"
1 38 ILE 0.700 0.225 4 0 "[ . 1]"
1 39 ILE 0.270 0.097 7 0 "[ . 1]"
1 41 PRO 1.019 0.174 10 0 "[ . 1]"
1 43 ASP 1.019 0.174 10 0 "[ . 1]"
1 44 GLN 0.204 0.059 7 0 "[ . 1]"
1 45 ILE 0.764 0.277 7 0 "[ . 1]"
1 46 SER 2.969 0.398 2 0 "[ . 1]"
1 47 ARG 1.767 0.235 7 0 "[ . 1]"
1 48 VAL 0.235 0.070 9 0 "[ . 1]"
1 49 ALA 0.767 0.277 7 0 "[ . 1]"
1 50 LYS 4.481 0.398 2 0 "[ . 1]"
1 51 MET 1.990 0.235 7 0 "[ . 1]"
1 52 LEU 4.700 0.535 10 1 "[ . +]"
1 53 ALA 3.010 0.511 9 1 "[ . +1]"
1 54 ASP 3.544 0.286 2 0 "[ . 1]"
1 55 GLU 0.579 0.108 5 0 "[ . 1]"
1 56 PHE 4.847 0.535 10 1 "[ . +]"
1 57 GLY 5.332 0.511 9 1 "[ . +1]"
1 58 THR 5.899 0.473 5 0 "[ . 1]"
1 59 ALA 0.152 0.108 5 0 "[ . 1]"
1 60 SER 0.382 0.131 4 0 "[ . 1]"
1 61 ASN 2.325 0.328 10 0 "[ . 1]"
1 62 ILE 3.867 0.473 5 0 "[ . 1]"
1 64 SER 3.248 0.440 5 0 "[ . 1]"
1 65 ARG 0.000 0.000 . 0 "[ . 1]"
1 66 VAL 7.305 0.474 10 0 "[ . 1]"
1 67 ASN 0.564 0.075 9 0 "[ . 1]"
1 68 ARG 0.101 0.047 8 0 "[ . 1]"
1 69 LEU 0.854 0.133 3 0 "[ . 1]"
1 70 SER 5.490 0.474 10 0 "[ . 1]"
1 71 VAL 0.564 0.075 9 0 "[ . 1]"
1 72 LEU 0.658 0.132 5 0 "[ . 1]"
1 73 GLY 1.908 0.167 5 0 "[ . 1]"
1 74 ALA 1.433 0.203 9 0 "[ . 1]"
1 75 ILE 0.006 0.006 4 0 "[ . 1]"
1 76 THR 4.025 0.446 9 0 "[ . 1]"
1 77 SER 1.273 0.167 5 0 "[ . 1]"
1 78 VAL 0.000 0.000 . 0 "[ . 1]"
1 79 GLN 0.425 0.129 4 0 "[ . 1]"
1 80 GLN 3.468 0.446 9 0 "[ . 1]"
1 81 ARG 0.755 0.135 4 0 "[ . 1]"
1 82 LEU 0.000 0.000 . 0 "[ . 1]"
1 83 LYS 0.419 0.129 4 0 "[ . 1]"
1 84 LEU 0.536 0.135 4 0 "[ . 1]"
1 85 TYR 0.000 0.000 . 0 "[ . 1]"
1 89 PRO 0.651 0.103 5 0 "[ . 1]"
1 90 PRO 5.563 0.662 4 8 "[***+.-** *]"
1 92 GLY 6.214 0.662 4 8 "[***+.-** *]"
1 93 LEU 0.270 0.097 7 0 "[ . 1]"
1 94 VAL 0.400 0.143 8 0 "[ . 1]"
1 95 VAL 0.752 0.151 7 0 "[ . 1]"
1 96 TYR 1.101 0.255 7 0 "[ . 1]"
1 97 CYS 0.503 0.171 9 0 "[ . 1]"
1 98 GLY 0.633 0.178 7 0 "[ . 1]"
1 100 ILE 0.230 0.230 5 0 "[ . 1]"
1 102 THR 1.775 0.254 5 0 "[ . 1]"
1 106 LYS 1.775 0.254 5 0 "[ . 1]"
1 108 LYS 0.230 0.230 5 0 "[ . 1]"
1 110 VAL 0.633 0.178 7 0 "[ . 1]"
1 112 ILE 1.101 0.255 7 0 "[ . 1]"
1 114 PHE 0.400 0.143 8 0 "[ . 1]"
1 120 ILE 1.146 0.158 1 0 "[ . 1]"
1 122 THR 1.146 0.158 1 0 "[ . 1]"
1 124 LEU 0.700 0.225 4 0 "[ . 1]"
1 126 LEU 0.870 0.163 5 0 "[ . 1]"
1 128 ASP 1.495 0.410 9 0 "[ . 1]"
1 133 THR 0.576 0.142 8 0 "[ . 1]"
1 134 GLU 0.196 0.052 7 0 "[ . 1]"
1 135 ALA 0.075 0.066 1 0 "[ . 1]"
1 136 LEU 0.142 0.073 1 0 "[ . 1]"
1 137 THR 0.576 0.142 8 0 "[ . 1]"
1 138 ALA 0.196 0.052 7 0 "[ . 1]"
1 139 LEU 0.075 0.066 1 0 "[ . 1]"
1 140 LEU 0.142 0.073 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 SER O 1 10 ARG H . . 2.300 2.188 1.880 2.316 0.016 4 0 "[ . 1]" 2
2 1 7 ALA O 1 11 ASN H . . 2.300 1.972 1.782 2.309 0.009 8 0 "[ . 1]" 2
3 1 8 ALA O 1 12 VAL H . . 2.300 2.298 2.042 2.461 0.161 1 0 "[ . 1]" 2
4 1 9 ASP O 1 13 GLU H . . 2.300 2.355 2.051 2.478 0.178 1 0 "[ . 1]" 2
5 1 10 ARG O 1 14 ILE H . . 2.300 2.028 1.785 2.262 . 0 0 "[ . 1]" 2
6 1 11 ASN O 1 15 TRP H . . 2.300 2.397 2.339 2.487 0.187 4 0 "[ . 1]" 2
7 1 12 VAL O 1 16 LYS H . . 2.300 1.998 1.753 2.204 . 0 0 "[ . 1]" 2
8 1 13 GLU O 1 17 ILE H . . 2.300 2.141 1.876 2.239 . 0 0 "[ . 1]" 2
9 1 14 ILE O 1 18 LYS H . . 2.300 2.332 2.167 2.464 0.164 5 0 "[ . 1]" 2
10 1 15 TRP O 1 19 LYS H . . 2.300 2.199 2.020 2.367 0.067 10 0 "[ . 1]" 2
11 1 16 LYS O 1 20 LEU H . . 2.300 2.257 2.037 2.369 0.069 5 0 "[ . 1]" 2
12 1 17 ILE O 1 21 ILE H . . 2.300 2.388 2.277 2.537 0.237 8 0 "[ . 1]" 2
13 1 18 LYS O 1 22 LYS H . . 2.300 2.540 1.776 2.801 0.501 1 1 "[+ . 1]" 2
14 1 19 LYS O 1 23 SER H . . 2.300 2.360 2.273 2.426 0.126 4 0 "[ . 1]" 2
15 1 20 LEU O 1 24 LEU H . . 2.300 1.805 1.683 1.885 . 0 0 "[ . 1]" 2
16 1 21 ILE O 1 25 GLU H . . 2.300 1.955 1.816 2.318 0.018 5 0 "[ . 1]" 2
17 1 22 LYS O 1 26 ALA H . . 2.300 2.401 1.855 2.557 0.257 3 0 "[ . 1]" 2
18 1 24 LEU O 1 27 ALA H . . 2.300 2.162 1.937 2.334 0.034 5 0 "[ . 1]" 2
19 1 34 MET O 1 128 ASP H . . 2.300 2.450 2.313 2.710 0.410 9 0 "[ . 1]" 2
20 1 35 ILE O 1 97 CYS H . . 2.300 2.245 1.787 2.471 0.171 9 0 "[ . 1]" 2
21 1 36 SER O 1 126 LEU H . . 2.300 2.387 2.339 2.463 0.163 5 0 "[ . 1]" 2
22 1 37 LEU O 1 95 VAL H . . 2.300 2.367 2.221 2.451 0.151 7 0 "[ . 1]" 2
23 1 38 ILE O 1 124 LEU H . . 2.300 2.347 2.075 2.525 0.225 4 0 "[ . 1]" 2
24 1 39 ILE O 1 93 LEU H . . 2.300 2.207 1.858 2.397 0.097 7 0 "[ . 1]" 2
25 1 41 PRO O 1 43 ASP H . . 2.300 2.402 2.355 2.474 0.174 10 0 "[ . 1]" 2
26 1 44 GLN O 1 47 ARG H . . 2.300 2.265 2.061 2.359 0.059 7 0 "[ . 1]" 2
27 1 45 ILE O 1 48 VAL H . . 2.300 1.696 1.600 1.836 . 0 0 "[ . 1]" 2
28 1 45 ILE O 1 49 ALA H . . 2.300 2.374 2.273 2.577 0.277 7 0 "[ . 1]" 2
29 1 46 SER O 1 50 LYS H . . 2.300 2.597 2.526 2.698 0.398 2 0 "[ . 1]" 2
30 1 47 ARG O 1 51 MET H . . 2.300 2.455 2.292 2.535 0.235 7 0 "[ . 1]" 2
31 1 48 VAL O 1 52 LEU H . . 2.300 2.240 2.034 2.370 0.070 9 0 "[ . 1]" 2
32 1 49 ALA O 1 53 ALA H . . 2.300 2.215 2.127 2.303 0.003 7 0 "[ . 1]" 2
33 1 50 LYS O 1 54 ASP H . . 2.300 2.451 2.404 2.519 0.219 7 0 "[ . 1]" 2
34 1 51 MET O 1 55 GLU H . . 2.300 2.337 2.278 2.404 0.104 9 0 "[ . 1]" 2
35 1 52 LEU O 1 56 PHE H . . 2.300 2.746 2.643 2.835 0.535 10 1 "[ . +]" 2
36 1 53 ALA O 1 57 GLY H . . 2.300 2.601 2.435 2.811 0.511 9 1 "[ . +1]" 2
37 1 54 ASP O 1 58 THR H . . 2.300 2.503 2.329 2.586 0.286 2 0 "[ . 1]" 2
38 1 55 GLU O 1 59 ALA H . . 2.300 2.192 1.937 2.408 0.108 5 0 "[ . 1]" 2
39 1 56 PHE O 1 60 SER H . . 2.300 2.313 2.154 2.431 0.131 4 0 "[ . 1]" 2
40 1 57 GLY O 1 61 ASN H . . 2.300 2.532 2.448 2.628 0.328 10 0 "[ . 1]" 2
41 1 58 THR O 1 62 ILE H . . 2.300 2.687 2.627 2.773 0.473 5 0 "[ . 1]" 2
42 1 64 SER O 1 66 VAL H . . 2.300 2.625 2.580 2.740 0.440 5 0 "[ . 1]" 2
43 1 64 SER O 1 67 ASN H . . 2.300 1.720 1.650 1.798 . 0 0 "[ . 1]" 2
44 1 65 ARG O 1 69 LEU H . . 2.300 1.865 1.816 1.933 . 0 0 "[ . 1]" 2
45 1 66 VAL O 1 70 SER H . . 2.300 2.706 2.640 2.774 0.474 10 0 "[ . 1]" 2
46 1 67 ASN O 1 71 VAL H . . 2.300 2.356 2.336 2.375 0.075 9 0 "[ . 1]" 2
47 1 68 ARG O 1 72 LEU H . . 2.300 2.233 2.026 2.347 0.047 8 0 "[ . 1]" 2
48 1 69 LEU O 1 73 GLY H . . 2.300 2.385 2.313 2.433 0.133 3 0 "[ . 1]" 2
49 1 70 SER O 1 74 ALA H . . 2.300 2.443 2.419 2.503 0.203 9 0 "[ . 1]" 2
50 1 71 VAL O 1 75 ILE H . . 2.300 1.664 1.578 1.726 . 0 0 "[ . 1]" 2
51 1 72 LEU O 1 76 THR H . . 2.300 2.332 2.173 2.432 0.132 5 0 "[ . 1]" 2
52 1 73 GLY O 1 77 SER H . . 2.300 2.405 2.327 2.467 0.167 5 0 "[ . 1]" 2
53 1 74 ALA O 1 78 VAL H . . 2.300 1.807 1.710 1.934 . 0 0 "[ . 1]" 2
54 1 75 ILE O 1 79 GLN H . . 2.300 2.064 1.846 2.306 0.006 4 0 "[ . 1]" 2
55 1 76 THR O 1 80 GLN H . . 2.300 2.647 2.591 2.746 0.446 9 0 "[ . 1]" 2
56 1 77 SER O 1 81 ARG H . . 2.300 2.236 1.933 2.420 0.120 4 0 "[ . 1]" 2
57 1 78 VAL O 1 82 LEU H . . 2.300 1.984 1.861 2.062 . 0 0 "[ . 1]" 2
58 1 79 GLN O 1 83 LYS H . . 2.300 2.295 2.115 2.429 0.129 4 0 "[ . 1]" 2
59 1 81 ARG O 1 84 LEU H . . 2.300 2.335 2.201 2.435 0.135 4 0 "[ . 1]" 2
60 1 82 LEU O 1 85 TYR H . . 2.300 1.805 1.734 1.895 . 0 0 "[ . 1]" 2
61 1 89 PRO O 1 92 GLY H . . 2.300 2.361 2.256 2.403 0.103 5 0 "[ . 1]" 2
62 1 90 PRO O 1 92 GLY H . . 2.300 2.856 2.746 2.962 0.662 4 8 "[***+.-** *]" 2
63 1 94 VAL O 1 114 PHE H . . 2.300 2.214 1.861 2.443 0.143 8 0 "[ . 1]" 2
64 1 96 TYR O 1 112 ILE H . . 2.300 2.404 2.261 2.555 0.255 7 0 "[ . 1]" 2
65 1 98 GLY O 1 110 VAL H . . 2.300 2.353 2.197 2.478 0.178 7 0 "[ . 1]" 2
66 1 100 ILE O 1 108 LYS H . . 2.300 2.167 2.031 2.530 0.230 5 0 "[ . 1]" 2
67 1 102 THR O 1 106 LYS H . . 2.300 2.478 2.417 2.554 0.254 5 0 "[ . 1]" 2
68 1 120 ILE O 1 122 THR H . . 2.300 2.415 2.387 2.458 0.158 1 0 "[ . 1]" 2
69 1 133 THR O 1 137 THR H . . 2.300 2.317 1.925 2.442 0.142 8 0 "[ . 1]" 2
70 1 134 GLU O 1 138 ALA H . . 2.300 2.283 2.011 2.352 0.052 7 0 "[ . 1]" 2
71 1 135 ALA O 1 139 LEU H . . 2.300 2.097 1.781 2.366 0.066 1 0 "[ . 1]" 2
72 1 136 LEU O 1 140 LEU H . . 2.300 2.016 1.788 2.373 0.073 1 0 "[ . 1]" 2
stop_
save_