Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
551234 | 2ljk RC | 16413 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ljk
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 1407
_Distance_constraint_stats_list.Viol_count 1596
_Distance_constraint_stats_list.Viol_total 1249.866
_Distance_constraint_stats_list.Viol_max 0.992
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0392
_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 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PRO 0.140 0.140 15 0 "[ . 1 . 2]"
1 8 GLY 0.143 0.140 15 0 "[ . 1 . 2]"
1 9 GLN 0.123 0.112 20 0 "[ . 1 . 2]"
1 10 THR 0.125 0.112 20 0 "[ . 1 . 2]"
1 11 SER 0.122 0.059 16 0 "[ . 1 . 2]"
1 12 VAL 0.146 0.059 16 0 "[ . 1 . 2]"
1 13 ALA 0.024 0.020 3 0 "[ . 1 . 2]"
1 16 PRO 0.001 0.001 13 0 "[ . 1 . 2]"
1 17 GLU 1.469 0.660 13 1 "[ . 1 + . 2]"
1 18 GLU 1.335 0.660 13 1 "[ . 1 + . 2]"
1 19 VAL 0.497 0.095 15 0 "[ . 1 . 2]"
1 20 GLU 0.316 0.050 15 0 "[ . 1 . 2]"
1 21 PRO 0.134 0.027 19 0 "[ . 1 . 2]"
1 22 GLY 0.091 0.028 2 0 "[ . 1 . 2]"
1 23 SER 0.779 0.074 10 0 "[ . 1 . 2]"
1 24 GLY 0.689 0.069 5 0 "[ . 1 . 2]"
1 25 VAL 0.802 0.169 3 0 "[ . 1 . 2]"
1 26 ARG 3.151 0.174 3 0 "[ . 1 . 2]"
1 27 ILE 3.236 0.174 3 0 "[ . 1 . 2]"
1 28 VAL 4.405 0.206 9 0 "[ . 1 . 2]"
1 29 VAL 0.481 0.062 18 0 "[ . 1 . 2]"
1 30 GLU 0.713 0.108 11 0 "[ . 1 . 2]"
1 31 TYR 1.365 0.191 11 0 "[ . 1 . 2]"
1 32 CYS 0.766 0.110 11 0 "[ . 1 . 2]"
1 33 GLU 1.891 0.117 5 0 "[ . 1 . 2]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 CYS 1.322 0.078 20 0 "[ . 1 . 2]"
1 36 GLY 0.376 0.117 5 0 "[ . 1 . 2]"
1 37 PHE 1.294 0.110 11 0 "[ . 1 . 2]"
1 38 GLU 0.208 0.030 8 0 "[ . 1 . 2]"
1 39 ALA 0.126 0.046 12 0 "[ . 1 . 2]"
1 40 THR 0.976 0.111 15 0 "[ . 1 . 2]"
1 41 TYR 0.428 0.046 19 0 "[ . 1 . 2]"
1 42 LEU 1.619 0.229 15 0 "[ . 1 . 2]"
1 43 GLU 2.434 0.899 7 2 "[ - + 1 . 2]"
1 44 LEU 1.281 0.142 17 0 "[ . 1 . 2]"
1 45 ALA 0.906 0.142 17 0 "[ . 1 . 2]"
1 46 SER 1.225 0.106 11 0 "[ . 1 . 2]"
1 47 ALA 1.658 0.191 15 0 "[ . 1 . 2]"
1 48 VAL 1.128 0.155 3 0 "[ . 1 . 2]"
1 49 LYS 0.982 0.075 17 0 "[ . 1 . 2]"
1 50 GLU 0.094 0.053 15 0 "[ . 1 . 2]"
1 51 GLN 2.617 0.448 6 0 "[ . 1 . 2]"
1 52 TYR 4.751 0.240 10 0 "[ . 1 . 2]"
1 53 PRO 0.016 0.013 16 0 "[ . 1 . 2]"
1 54 GLY 0.147 0.028 16 0 "[ . 1 . 2]"
1 55 ILE 0.471 0.061 10 0 "[ . 1 . 2]"
1 56 GLU 2.608 0.133 12 0 "[ . 1 . 2]"
1 57 ILE 3.305 0.169 20 0 "[ . 1 . 2]"
1 58 GLU 1.590 0.197 6 0 "[ . 1 . 2]"
1 59 SER 1.643 0.197 6 0 "[ . 1 . 2]"
1 60 ARG 1.048 0.191 11 0 "[ . 1 . 2]"
1 61 LEU 0.641 0.070 11 0 "[ . 1 . 2]"
1 62 GLY 0.990 0.128 11 0 "[ . 1 . 2]"
1 63 GLY 0.701 0.087 8 0 "[ . 1 . 2]"
1 64 THR 2.804 0.292 8 0 "[ . 1 . 2]"
1 65 GLY 2.031 0.266 19 0 "[ . 1 . 2]"
1 66 ALA 2.022 0.087 8 0 "[ . 1 . 2]"
1 67 PHE 1.971 0.279 9 0 "[ . 1 . 2]"
1 68 GLU 0.430 0.173 9 0 "[ . 1 . 2]"
1 69 ILE 0.893 0.085 16 0 "[ . 1 . 2]"
1 70 GLU 1.394 0.119 18 0 "[ . 1 . 2]"
1 71 ILE 2.585 0.104 6 0 "[ . 1 . 2]"
1 72 ASN 2.511 0.206 9 0 "[ . 1 . 2]"
1 73 GLY 0.865 0.088 9 0 "[ . 1 . 2]"
1 74 GLN 1.095 0.067 14 0 "[ . 1 . 2]"
1 75 LEU 2.556 0.208 20 0 "[ . 1 . 2]"
1 76 VAL 0.085 0.036 20 0 "[ . 1 . 2]"
1 77 PHE 1.022 0.208 20 0 "[ . 1 . 2]"
1 78 SER 0.586 0.102 19 0 "[ . 1 . 2]"
1 79 LYS 1.130 0.191 1 0 "[ . 1 . 2]"
1 80 LEU 3.126 0.279 9 0 "[ . 1 . 2]"
1 81 GLU 2.428 0.992 1 1 "[+ . 1 . 2]"
1 82 ASN 3.306 0.992 1 1 "[+ . 1 . 2]"
1 83 GLY 1.697 0.878 1 1 "[+ . 1 . 2]"
1 84 GLY 1.116 0.307 1 0 "[ . 1 . 2]"
1 85 PHE 0.492 0.227 10 0 "[ . 1 . 2]"
1 86 PRO 0.017 0.017 18 0 "[ . 1 . 2]"
1 87 TYR 1.144 0.421 18 0 "[ . 1 . 2]"
1 88 GLU 0.304 0.170 18 0 "[ . 1 . 2]"
1 89 LYS 0.971 0.425 18 0 "[ . 1 . 2]"
1 90 ASP 1.877 0.425 18 0 "[ . 1 . 2]"
1 91 LEU 0.387 0.063 18 0 "[ . 1 . 2]"
1 92 ILE 3.970 0.448 6 0 "[ . 1 . 2]"
1 93 GLU 0.190 0.053 1 0 "[ . 1 . 2]"
1 94 ALA 0.699 0.054 14 0 "[ . 1 . 2]"
1 95 ILE 1.252 0.069 5 0 "[ . 1 . 2]"
1 96 ARG 0.188 0.037 6 0 "[ . 1 . 2]"
1 97 ARG 0.286 0.063 16 0 "[ . 1 . 2]"
1 98 ALA 0.703 0.062 16 0 "[ . 1 . 2]"
1 99 SER 0.389 0.057 6 0 "[ . 1 . 2]"
1 100 ASN 0.171 0.057 6 0 "[ . 1 . 2]"
1 101 GLY 0.064 0.036 6 0 "[ . 1 . 2]"
1 102 GLU 1.290 0.505 16 1 "[ . 1 .+ 2]"
1 103 THR 2.439 0.505 16 1 "[ . 1 .+ 2]"
1 104 LEU 1.524 0.186 6 0 "[ . 1 . 2]"
1 105 GLU 0.651 0.192 4 0 "[ . 1 . 2]"
1 106 LYS 0.082 0.081 20 0 "[ . 1 . 2]"
1 107 ILE 0.237 0.081 20 0 "[ . 1 . 2]"
1 108 THR 0.098 0.017 19 0 "[ . 1 . 2]"
1 109 ASN 0.268 0.066 2 0 "[ . 1 . 2]"
1 110 SER 0.319 0.066 2 0 "[ . 1 . 2]"
1 111 ARG 0.478 0.288 13 0 "[ . 1 . 2]"
1 113 PRO 0.032 0.009 6 0 "[ . 1 . 2]"
1 114 CYS 0.104 0.050 13 0 "[ . 1 . 2]"
1 115 VAL 0.404 0.142 13 0 "[ . 1 . 2]"
1 116 ILE 0.149 0.102 13 0 "[ . 1 . 2]"
1 117 LEU 0.433 0.142 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 68 GLU HA 1 79 LYS H . . 4.660 3.462 2.714 4.054 . 0 0 "[ . 1 . 2]" 1
2 1 69 ILE HG13 1 79 LYS H . . 5.500 4.758 4.254 5.364 . 0 0 "[ . 1 . 2]" 1
3 1 67 PHE QD 1 79 LYS H . . 4.790 4.039 3.257 4.804 0.014 19 0 "[ . 1 . 2]" 1
4 1 67 PHE HA 1 79 LYS H . . 5.500 5.332 4.426 5.549 0.049 7 0 "[ . 1 . 2]" 1
5 1 67 PHE HB3 1 79 LYS H . . 5.490 3.260 1.999 4.027 . 0 0 "[ . 1 . 2]" 1
6 1 66 ALA MB 1 79 LYS H . . 5.500 5.488 4.976 5.579 0.079 11 0 "[ . 1 . 2]" 1
7 1 69 ILE MD 1 79 LYS H . . 5.500 4.708 3.865 5.512 0.012 19 0 "[ . 1 . 2]" 1
8 1 79 LYS H 1 80 LEU QD . . 5.500 3.633 2.383 4.650 . 0 0 "[ . 1 . 2]" 1
9 1 31 TYR QD 1 33 GLU H . . 4.860 3.969 3.757 4.488 . 0 0 "[ . 1 . 2]" 1
10 1 31 TYR QE 1 33 GLU H . . 4.820 4.398 4.212 4.717 . 0 0 "[ . 1 . 2]" 1
11 1 31 TYR HA 1 33 GLU H . . 5.500 5.515 5.434 5.564 0.064 19 0 "[ . 1 . 2]" 1
12 1 32 CYS HA 1 33 GLU H . . 2.980 2.174 2.165 2.190 . 0 0 "[ . 1 . 2]" 1
13 1 32 CYS HB2 1 33 GLU H . . 4.560 4.407 4.372 4.467 . 0 0 "[ . 1 . 2]" 1
14 1 32 CYS HB3 1 33 GLU H . . 5.160 4.479 4.439 4.504 . 0 0 "[ . 1 . 2]" 1
15 1 33 GLU H 1 33 GLU QG . . 4.280 3.191 2.946 3.793 . 0 0 "[ . 1 . 2]" 1
16 1 33 GLU H 1 33 GLU QB . . 3.330 2.096 2.056 2.143 . 0 0 "[ . 1 . 2]" 1
17 1 33 GLU H 1 35 CYS HB2 . . 5.040 5.077 4.957 5.118 0.078 20 0 "[ . 1 . 2]" 1
18 1 33 GLU H 1 61 LEU QB . . 5.500 4.601 2.373 5.119 . 0 0 "[ . 1 . 2]" 1
19 1 33 GLU H 1 61 LEU HG . . 5.500 4.366 2.196 5.431 . 0 0 "[ . 1 . 2]" 1
20 1 33 GLU H 1 61 LEU MD1 . . 4.670 2.505 1.857 4.735 0.065 11 0 "[ . 1 . 2]" 1
21 1 33 GLU H 1 61 LEU MD2 . . 4.670 3.855 2.014 4.528 . 0 0 "[ . 1 . 2]" 1
22 1 116 ILE H 1 117 LEU H . . 4.370 3.882 2.577 4.378 0.008 6 0 "[ . 1 . 2]" 1
23 1 116 ILE HA 1 117 LEU H . . 3.120 2.335 2.140 3.222 0.102 13 0 "[ . 1 . 2]" 1
24 1 116 ILE HB 1 117 LEU H . . 4.600 4.052 3.247 4.487 . 0 0 "[ . 1 . 2]" 1
25 1 29 VAL H 1 30 GLU H . . 4.970 4.382 4.220 4.591 . 0 0 "[ . 1 . 2]" 1
26 1 30 GLU H 1 60 ARG H . . 5.460 5.058 4.830 5.430 . 0 0 "[ . 1 . 2]" 1
27 1 30 GLU H 1 31 TYR H . . 4.520 4.268 3.988 4.374 . 0 0 "[ . 1 . 2]" 1
28 1 30 GLU H 1 69 ILE HA . . 3.930 2.884 2.571 3.325 . 0 0 "[ . 1 . 2]" 1
29 1 29 VAL HA 1 30 GLU H . . 2.780 2.165 2.142 2.211 . 0 0 "[ . 1 . 2]" 1
30 1 30 GLU H 1 68 GLU HB3 . . 5.260 4.919 4.776 5.121 . 0 0 "[ . 1 . 2]" 1
31 1 30 GLU H 1 68 GLU HB2 . . 4.430 4.230 3.983 4.435 0.005 8 0 "[ . 1 . 2]" 1
32 1 30 GLU H 1 30 GLU HB3 . . 3.360 2.764 2.653 2.891 . 0 0 "[ . 1 . 2]" 1
33 1 30 GLU H 1 30 GLU HB2 . . 3.480 2.535 2.382 2.942 . 0 0 "[ . 1 . 2]" 1
34 1 29 VAL MG2 1 30 GLU H . . 4.410 3.953 2.546 4.283 . 0 0 "[ . 1 . 2]" 1
35 1 29 VAL MG1 1 30 GLU H . . 4.410 3.047 2.243 4.085 . 0 0 "[ . 1 . 2]" 1
36 1 12 VAL H 1 13 ALA H . . 5.150 4.444 3.699 4.641 . 0 0 "[ . 1 . 2]" 1
37 1 12 VAL QG 1 13 ALA H . . 4.470 2.986 1.965 3.646 . 0 0 "[ . 1 . 2]" 1
38 1 12 VAL HA 1 13 ALA H . . 2.740 2.309 2.147 2.552 . 0 0 "[ . 1 . 2]" 1
39 1 13 ALA H 1 13 ALA MB . . 3.140 2.830 2.563 2.904 . 0 0 "[ . 1 . 2]" 1
40 1 28 VAL HB 1 70 GLU H . . 4.210 4.086 3.720 4.222 0.012 18 0 "[ . 1 . 2]" 1
41 1 69 ILE HG12 1 70 GLU H . . 4.710 4.422 4.259 4.681 . 0 0 "[ . 1 . 2]" 1
42 1 69 ILE H 1 70 GLU H . . 4.540 4.509 4.280 4.576 0.036 20 0 "[ . 1 . 2]" 1
43 1 69 ILE HA 1 70 GLU H . . 2.690 2.180 2.141 2.211 . 0 0 "[ . 1 . 2]" 1
44 1 29 VAL HA 1 70 GLU H . . 3.880 3.060 2.827 3.289 . 0 0 "[ . 1 . 2]" 1
45 1 70 GLU H 1 70 GLU HB3 . . 4.170 3.782 3.571 3.849 . 0 0 "[ . 1 . 2]" 1
46 1 70 GLU H 1 70 GLU HB2 . . 4.170 2.665 2.305 2.782 . 0 0 "[ . 1 . 2]" 1
47 1 69 ILE MG 1 70 GLU H . . 3.230 2.436 2.073 3.150 . 0 0 "[ . 1 . 2]" 1
48 1 28 VAL MG1 1 70 GLU H . . 4.660 4.492 4.134 4.669 0.009 18 0 "[ . 1 . 2]" 1
49 1 70 GLU H 1 75 LEU HA . . 4.930 4.932 4.682 5.049 0.119 18 0 "[ . 1 . 2]" 1
50 1 74 GLN HA 1 75 LEU H . . 2.720 2.242 2.139 2.285 . 0 0 "[ . 1 . 2]" 1
51 1 74 GLN QB 1 75 LEU H . . 3.430 2.885 2.692 3.418 . 0 0 "[ . 1 . 2]" 1
52 1 75 LEU H 1 75 LEU HB3 . . 3.200 2.611 2.474 3.050 . 0 0 "[ . 1 . 2]" 1
53 1 75 LEU H 1 75 LEU QD . . 3.960 3.631 3.575 3.704 . 0 0 "[ . 1 . 2]" 1
54 1 74 GLN H 1 75 LEU H . . 4.410 4.422 4.193 4.477 0.067 14 0 "[ . 1 . 2]" 1
55 1 75 LEU H 1 75 LEU HB2 . . 3.200 2.419 2.099 2.537 . 0 0 "[ . 1 . 2]" 1
56 1 75 LEU H 1 75 LEU HG . . 4.580 4.435 4.012 4.547 . 0 0 "[ . 1 . 2]" 1
57 1 72 ASN H 1 72 ASN HD21 . . 5.420 3.394 3.135 4.049 . 0 0 "[ . 1 . 2]" 1
58 1 27 ILE HA 1 72 ASN H . . 4.970 4.553 4.368 4.647 . 0 0 "[ . 1 . 2]" 1
59 1 72 ASN H 1 74 GLN HA . . 5.500 5.347 5.253 5.416 . 0 0 "[ . 1 . 2]" 1
60 1 71 ILE QG 1 72 ASN H . . 4.010 3.932 3.688 4.036 0.026 7 0 "[ . 1 . 2]" 1
61 1 71 ILE MG 1 72 ASN H . . 3.480 2.127 1.890 2.415 . 0 0 "[ . 1 . 2]" 1
62 1 25 VAL HA 1 26 ARG H . . 2.790 2.329 2.270 2.360 . 0 0 "[ . 1 . 2]" 1
63 1 26 ARG H 1 26 ARG HB2 . . 3.910 3.146 2.910 3.245 . 0 0 "[ . 1 . 2]" 1
64 1 25 VAL QG 1 26 ARG H . . 3.220 1.936 1.891 1.985 . 0 0 "[ . 1 . 2]" 1
65 1 26 ARG H 1 71 ILE HA . . 5.500 5.554 5.497 5.604 0.104 6 0 "[ . 1 . 2]" 1
66 1 26 ARG H 1 26 ARG QD . . 5.040 4.635 4.283 5.117 0.077 3 0 "[ . 1 . 2]" 1
67 1 25 VAL HB 1 26 ARG H . . 4.750 3.570 3.448 3.807 . 0 0 "[ . 1 . 2]" 1
68 1 26 ARG H 1 26 ARG HB3 . . 3.890 2.629 2.549 2.813 . 0 0 "[ . 1 . 2]" 1
69 1 26 ARG H 1 71 ILE QG . . 4.730 4.523 4.309 4.739 0.009 20 0 "[ . 1 . 2]" 1
70 1 106 LYS H 1 107 ILE H . . 4.880 4.441 4.078 4.646 . 0 0 "[ . 1 . 2]" 1
71 1 106 LYS QE 1 107 ILE H . . 5.180 4.410 2.857 5.261 0.081 20 0 "[ . 1 . 2]" 1
72 1 25 VAL H 1 26 ARG H . . 4.740 4.398 4.354 4.425 . 0 0 "[ . 1 . 2]" 1
73 1 107 ILE H 1 107 ILE MG . . 3.960 3.834 3.764 3.902 . 0 0 "[ . 1 . 2]" 1
74 1 106 LYS HA 1 107 ILE H . . 2.760 2.377 2.148 2.599 . 0 0 "[ . 1 . 2]" 1
75 1 107 ILE H 1 107 ILE HB . . 3.270 2.667 2.513 2.758 . 0 0 "[ . 1 . 2]" 1
76 1 106 LYS QB 1 107 ILE H . . 3.780 2.794 2.058 3.765 . 0 0 "[ . 1 . 2]" 1
77 1 107 ILE H 1 107 ILE MD . . 3.820 2.914 2.011 3.751 . 0 0 "[ . 1 . 2]" 1
78 1 28 VAL H 1 29 VAL H . . 4.870 3.672 3.465 3.803 . 0 0 "[ . 1 . 2]" 1
79 1 27 ILE H 1 58 GLU H . . 5.060 4.893 4.532 5.133 0.073 4 0 "[ . 1 . 2]" 1
80 1 57 ILE HA 1 58 GLU H . . 2.640 2.186 2.144 2.219 . 0 0 "[ . 1 . 2]" 1
81 1 28 VAL HA 1 58 GLU H . . 3.420 2.801 2.564 3.050 . 0 0 "[ . 1 . 2]" 1
82 1 58 GLU H 1 58 GLU HB2 . . 3.470 2.676 2.396 2.937 . 0 0 "[ . 1 . 2]" 1
83 1 27 ILE HB 1 58 GLU H . . 4.200 4.083 3.875 4.264 0.064 10 0 "[ . 1 . 2]" 1
84 1 57 ILE QG 1 58 GLU H . . 3.820 3.136 2.615 3.722 . 0 0 "[ . 1 . 2]" 1
85 1 57 ILE MD 1 58 GLU H . . 3.540 2.225 1.878 2.703 . 0 0 "[ . 1 . 2]" 1
86 1 28 VAL MG1 1 58 GLU H . . 4.110 4.077 3.967 4.128 0.018 2 0 "[ . 1 . 2]" 1
87 1 28 VAL H 1 72 ASN H . . 5.420 5.027 4.901 5.170 . 0 0 "[ . 1 . 2]" 1
88 1 28 VAL H 1 70 GLU H . . 3.550 3.308 3.063 3.539 . 0 0 "[ . 1 . 2]" 1
89 1 27 ILE HA 1 28 VAL H . . 2.640 2.246 2.225 2.285 . 0 0 "[ . 1 . 2]" 1
90 1 28 VAL H 1 71 ILE HA . . 3.680 3.585 3.073 3.729 0.049 11 0 "[ . 1 . 2]" 1
91 1 28 VAL H 1 28 VAL HB . . 3.220 2.910 2.892 2.931 . 0 0 "[ . 1 . 2]" 1
92 1 27 ILE MG 1 28 VAL H . . 2.970 2.127 1.914 2.237 . 0 0 "[ . 1 . 2]" 1
93 1 28 VAL H 1 28 VAL MG1 . . 4.030 3.944 3.925 3.964 . 0 0 "[ . 1 . 2]" 1
94 1 28 VAL H 1 72 ASN HA . . 5.470 5.577 5.502 5.676 0.206 9 0 "[ . 1 . 2]" 1
95 1 58 GLU H 1 59 SER HA . . 5.210 4.860 4.676 5.061 . 0 0 "[ . 1 . 2]" 1
96 1 88 GLU H 1 89 LYS HA . . 5.500 5.290 5.118 5.459 . 0 0 "[ . 1 . 2]" 1
97 1 87 TYR H 1 88 GLU H . . 5.360 4.367 4.226 4.548 . 0 0 "[ . 1 . 2]" 1
98 1 28 VAL HA 1 29 VAL H . . 2.790 2.218 2.173 2.294 . 0 0 "[ . 1 . 2]" 1
99 1 103 THR HA 1 104 LEU H . . 2.420 2.305 2.162 2.445 0.025 14 0 "[ . 1 . 2]" 1
100 1 104 LEU H 1 104 LEU HG . . 3.130 2.666 2.152 3.174 0.044 16 0 "[ . 1 . 2]" 1
101 1 19 VAL QG 1 20 GLU H . . 3.300 2.110 1.924 2.452 . 0 0 "[ . 1 . 2]" 1
102 1 103 THR H 1 104 LEU H . . 4.790 4.600 4.224 4.647 . 0 0 "[ . 1 . 2]" 1
103 1 28 VAL MG1 1 29 VAL H . . 3.400 3.316 3.111 3.460 0.060 17 0 "[ . 1 . 2]" 1
104 1 116 ILE H 1 116 ILE HG13 . . 5.090 3.546 2.061 5.018 . 0 0 "[ . 1 . 2]" 1
105 1 116 ILE H 1 116 ILE HG12 . . 5.090 3.548 1.993 5.080 . 0 0 "[ . 1 . 2]" 1
106 1 115 VAL QG 1 116 ILE H . . 4.810 2.817 2.083 3.705 . 0 0 "[ . 1 . 2]" 1
107 1 87 TYR HA 1 88 GLU H . . 3.060 2.306 2.157 2.625 . 0 0 "[ . 1 . 2]" 1
108 1 88 GLU H 1 89 LYS H . . 4.100 2.673 2.456 2.929 . 0 0 "[ . 1 . 2]" 1
109 1 87 TYR QD 1 88 GLU H . . 4.330 4.027 3.231 4.340 0.010 9 0 "[ . 1 . 2]" 1
110 1 87 TYR HB3 1 88 GLU H . . 4.500 2.802 2.021 3.270 . 0 0 "[ . 1 . 2]" 1
111 1 88 GLU H 1 88 GLU HB3 . . 3.630 2.575 2.366 3.573 . 0 0 "[ . 1 . 2]" 1
112 1 88 GLU H 1 88 GLU HB2 . . 3.630 3.307 2.570 3.612 . 0 0 "[ . 1 . 2]" 1
113 1 31 TYR HA 1 68 GLU H . . 4.180 3.827 3.656 4.113 . 0 0 "[ . 1 . 2]" 1
114 1 68 GLU H 1 69 ILE HA . . 5.410 5.350 5.239 5.402 . 0 0 "[ . 1 . 2]" 1
115 1 68 GLU H 1 78 SER HA . . 5.330 4.994 4.331 5.207 . 0 0 "[ . 1 . 2]" 1
116 1 67 PHE HB3 1 68 GLU H . . 5.150 4.264 4.101 4.358 . 0 0 "[ . 1 . 2]" 1
117 1 67 PHE HB2 1 68 GLU H . . 4.780 4.602 4.525 4.650 . 0 0 "[ . 1 . 2]" 1
118 1 68 GLU H 1 68 GLU QG . . 3.130 2.375 1.961 2.590 . 0 0 "[ . 1 . 2]" 1
119 1 68 GLU H 1 68 GLU HB2 . . 3.590 2.415 2.337 2.633 . 0 0 "[ . 1 . 2]" 1
120 1 30 GLU HB3 1 68 GLU H . . 3.940 3.076 2.604 3.380 . 0 0 "[ . 1 . 2]" 1
121 1 30 GLU HB2 1 68 GLU H . . 5.420 4.777 4.321 5.104 . 0 0 "[ . 1 . 2]" 1
122 1 30 GLU QG 1 68 GLU H . . 5.500 4.237 4.012 4.467 . 0 0 "[ . 1 . 2]" 1
123 1 66 ALA MB 1 68 GLU H . . 3.970 2.901 2.575 3.152 . 0 0 "[ . 1 . 2]" 1
124 1 68 GLU H 1 75 LEU QD . . 4.650 4.193 4.067 4.340 . 0 0 "[ . 1 . 2]" 1
125 1 68 GLU H 1 80 LEU QD . . 4.680 4.088 2.870 4.682 0.002 2 0 "[ . 1 . 2]" 1
126 1 67 PHE H 1 68 GLU H . . 3.890 2.511 2.030 2.892 . 0 0 "[ . 1 . 2]" 1
127 1 67 PHE HA 1 68 GLU H . . 2.950 2.716 2.564 2.909 . 0 0 "[ . 1 . 2]" 1
128 1 66 ALA HA 1 68 GLU H . . 4.780 4.581 4.342 4.785 0.005 5 0 "[ . 1 . 2]" 1
129 1 20 GLU H 1 20 GLU QG . . 3.330 2.254 1.953 2.804 . 0 0 "[ . 1 . 2]" 1
130 1 115 VAL HA 1 116 ILE H . . 3.160 2.419 2.146 2.971 . 0 0 "[ . 1 . 2]" 1
131 1 116 ILE H 1 116 ILE HB . . 3.890 3.186 2.560 3.859 . 0 0 "[ . 1 . 2]" 1
132 1 31 TYR HA 1 67 PHE H . . 5.500 4.401 4.047 4.612 . 0 0 "[ . 1 . 2]" 1
133 1 67 PHE H 1 68 GLU HA . . 4.820 4.093 3.973 4.206 . 0 0 "[ . 1 . 2]" 1
134 1 67 PHE H 1 78 SER HA . . 5.500 5.193 4.110 5.578 0.078 7 0 "[ . 1 . 2]" 1
135 1 66 ALA HA 1 67 PHE H . . 2.970 2.444 2.339 2.544 . 0 0 "[ . 1 . 2]" 1
136 1 67 PHE H 1 80 LEU HA . . 5.500 5.500 4.754 5.779 0.279 9 0 "[ . 1 . 2]" 1
137 1 67 PHE H 1 68 GLU HB2 . . 5.040 4.675 4.429 5.078 0.038 9 0 "[ . 1 . 2]" 1
138 1 67 PHE H 1 79 LYS H . . 4.430 3.977 3.011 4.239 . 0 0 "[ . 1 . 2]" 1
139 1 67 PHE H 1 67 PHE QD . . 4.660 4.483 4.434 4.522 . 0 0 "[ . 1 . 2]" 1
140 1 67 PHE H 1 68 GLU QG . . 3.430 3.170 2.867 3.396 . 0 0 "[ . 1 . 2]" 1
141 1 67 PHE H 1 75 LEU QD . . 5.500 5.148 4.759 5.330 . 0 0 "[ . 1 . 2]" 1
142 1 67 PHE H 1 80 LEU QD . . 3.720 2.306 1.832 3.033 . 0 0 "[ . 1 . 2]" 1
143 1 25 VAL HA 1 27 ILE H . . 5.500 5.470 5.239 5.669 0.169 3 0 "[ . 1 . 2]" 1
144 1 27 ILE H 1 72 ASN HA . . 5.500 5.384 5.223 5.498 . 0 0 "[ . 1 . 2]" 1
145 1 26 ARG QD 1 27 ILE H . . 5.020 4.666 3.381 5.194 0.174 3 0 "[ . 1 . 2]" 1
146 1 26 ARG H 1 27 ILE H . . 4.370 3.837 3.655 3.996 . 0 0 "[ . 1 . 2]" 1
147 1 26 ARG HA 1 27 ILE H . . 2.690 2.239 2.184 2.321 . 0 0 "[ . 1 . 2]" 1
148 1 25 VAL HB 1 27 ILE H . . 4.790 4.379 4.069 4.645 . 0 0 "[ . 1 . 2]" 1
149 1 27 ILE H 1 56 GLU HB3 . . 5.290 4.695 4.196 4.917 . 0 0 "[ . 1 . 2]" 1
150 1 27 ILE H 1 27 ILE HB . . 3.420 2.628 2.558 2.709 . 0 0 "[ . 1 . 2]" 1
151 1 27 ILE H 1 57 ILE HB . . 3.940 3.886 3.729 3.970 0.030 12 0 "[ . 1 . 2]" 1
152 1 27 ILE H 1 27 ILE MG . . 3.790 3.782 3.769 3.800 0.010 3 0 "[ . 1 . 2]" 1
153 1 27 ILE H 1 27 ILE MD . . 4.490 3.055 1.890 3.621 . 0 0 "[ . 1 . 2]" 1
154 1 27 ILE H 1 55 ILE MD . . 4.250 3.068 2.734 3.423 . 0 0 "[ . 1 . 2]" 1
155 1 27 ILE H 1 56 GLU HB2 . . 4.920 4.788 4.536 4.942 0.022 14 0 "[ . 1 . 2]" 1
156 1 27 ILE H 1 27 ILE QG . . 4.220 2.221 1.911 2.927 . 0 0 "[ . 1 . 2]" 1
157 1 19 VAL H 1 20 GLU H . . 4.390 4.365 4.201 4.430 0.040 8 0 "[ . 1 . 2]" 1
158 1 19 VAL HA 1 20 GLU H . . 2.400 2.229 2.147 2.329 . 0 0 "[ . 1 . 2]" 1
159 1 19 VAL HB 1 20 GLU H . . 4.060 3.844 3.550 4.079 0.019 15 0 "[ . 1 . 2]" 1
160 1 20 GLU H 1 20 GLU QB . . 3.260 3.037 2.558 3.310 0.050 15 0 "[ . 1 . 2]" 1
161 1 37 PHE HB2 1 38 GLU H . . 4.680 3.623 3.185 3.912 . 0 0 "[ . 1 . 2]" 1
162 1 38 GLU H 1 39 ALA H . . 3.520 2.417 2.201 2.620 . 0 0 "[ . 1 . 2]" 1
163 1 37 PHE QD 1 38 GLU H . . 4.820 4.703 4.349 4.850 0.030 8 0 "[ . 1 . 2]" 1
164 1 31 TYR QD 1 38 GLU H . . 4.350 4.222 3.766 4.374 0.024 16 0 "[ . 1 . 2]" 1
165 1 31 TYR QE 1 38 GLU H . . 3.790 3.351 2.678 3.574 . 0 0 "[ . 1 . 2]" 1
166 1 37 PHE HB3 1 38 GLU H . . 4.650 4.213 3.780 4.458 . 0 0 "[ . 1 . 2]" 1
167 1 38 GLU H 1 41 TYR QB . . 5.490 4.921 4.671 5.191 . 0 0 "[ . 1 . 2]" 1
168 1 38 GLU H 1 38 GLU HB3 . . 3.110 2.541 2.362 2.796 . 0 0 "[ . 1 . 2]" 1
169 1 38 GLU H 1 38 GLU HB2 . . 3.110 2.609 2.291 2.878 . 0 0 "[ . 1 . 2]" 1
170 1 38 GLU H 1 39 ALA MB . . 4.330 4.054 3.893 4.296 . 0 0 "[ . 1 . 2]" 1
171 1 94 ALA HA 1 96 ARG H . . 4.740 4.147 3.953 4.556 . 0 0 "[ . 1 . 2]" 1
172 1 96 ARG H 1 98 ALA H . . 4.820 3.883 3.676 4.393 . 0 0 "[ . 1 . 2]" 1
173 1 96 ARG H 1 96 ARG HG3 . . 4.940 4.307 2.947 4.530 . 0 0 "[ . 1 . 2]" 1
174 1 95 ILE MG 1 96 ARG H . . 4.270 3.946 3.838 4.034 . 0 0 "[ . 1 . 2]" 1
175 1 94 ALA H 1 96 ARG H . . 4.860 3.748 3.521 4.059 . 0 0 "[ . 1 . 2]" 1
176 1 55 ILE H 1 56 GLU H . . 4.750 4.518 4.480 4.546 . 0 0 "[ . 1 . 2]" 1
177 1 56 GLU H 1 57 ILE H . . 3.990 3.921 3.792 4.071 0.081 5 0 "[ . 1 . 2]" 1
178 1 26 ARG HA 1 56 GLU H . . 3.440 2.911 2.733 3.022 . 0 0 "[ . 1 . 2]" 1
179 1 52 TYR QB 1 56 GLU H . . 5.500 5.578 5.501 5.633 0.133 12 0 "[ . 1 . 2]" 1
180 1 56 GLU H 1 56 GLU HB3 . . 3.730 3.536 3.333 3.643 . 0 0 "[ . 1 . 2]" 1
181 1 56 GLU H 1 56 GLU HB2 . . 3.220 2.654 2.597 2.757 . 0 0 "[ . 1 . 2]" 1
182 1 55 ILE QG 1 56 GLU H . . 3.390 3.278 3.189 3.403 0.013 9 0 "[ . 1 . 2]" 1
183 1 55 ILE MG 1 56 GLU H . . 3.670 3.577 3.553 3.607 . 0 0 "[ . 1 . 2]" 1
184 1 27 ILE H 1 56 GLU H . . 4.140 3.411 3.221 3.573 . 0 0 "[ . 1 . 2]" 1
185 1 55 ILE HA 1 56 GLU H . . 2.700 2.684 2.647 2.708 0.008 16 0 "[ . 1 . 2]" 1
186 1 55 ILE HB 1 56 GLU H . . 3.530 1.931 1.905 1.984 . 0 0 "[ . 1 . 2]" 1
187 1 26 ARG HB2 1 56 GLU H . . 4.750 4.785 4.756 4.839 0.089 3 0 "[ . 1 . 2]" 1
188 1 55 ILE MD 1 56 GLU H . . 3.530 2.348 2.090 2.764 . 0 0 "[ . 1 . 2]" 1
189 1 57 ILE H 1 58 GLU HA . . 5.400 5.039 4.894 5.196 . 0 0 "[ . 1 . 2]" 1
190 1 56 GLU HA 1 57 ILE H . . 2.530 2.168 2.141 2.203 . 0 0 "[ . 1 . 2]" 1
191 1 57 ILE H 1 57 ILE HB . . 3.290 3.187 3.137 3.325 0.035 5 0 "[ . 1 . 2]" 1
192 1 57 ILE H 1 57 ILE MG . . 3.320 1.928 1.881 2.080 . 0 0 "[ . 1 . 2]" 1
193 1 57 ILE H 1 58 GLU H . . 4.680 4.336 4.124 4.494 . 0 0 "[ . 1 . 2]" 1
194 1 57 ILE H 1 57 ILE QG . . 4.490 3.965 3.921 4.006 . 0 0 "[ . 1 . 2]" 1
195 1 96 ARG H 1 97 ARG HA . . 5.500 5.272 5.198 5.432 . 0 0 "[ . 1 . 2]" 1
196 1 96 ARG H 1 99 SER QB . . 5.500 5.095 4.696 5.506 0.006 15 0 "[ . 1 . 2]" 1
197 1 94 ALA MB 1 96 ARG H . . 4.700 4.203 4.043 4.511 . 0 0 "[ . 1 . 2]" 1
198 1 95 ILE HB 1 96 ARG H . . 5.180 3.955 3.844 4.093 . 0 0 "[ . 1 . 2]" 1
199 1 96 ARG H 1 99 SER H . . 4.940 4.719 4.577 4.899 . 0 0 "[ . 1 . 2]" 1
200 1 46 SER QB 1 47 ALA H . . 3.400 3.156 2.898 3.506 0.106 11 0 "[ . 1 . 2]" 1
201 1 47 ALA H 1 48 VAL QG . . 4.000 3.659 3.254 3.992 . 0 0 "[ . 1 . 2]" 1
202 1 46 SER HA 1 47 ALA H . . 3.420 3.417 3.306 3.498 0.078 12 0 "[ . 1 . 2]" 1
203 1 47 ALA H 1 47 ALA MB . . 2.610 2.292 2.141 2.381 . 0 0 "[ . 1 . 2]" 1
204 1 66 ALA H 1 67 PHE H . . 4.560 4.462 4.401 4.584 0.024 2 0 "[ . 1 . 2]" 1
205 1 65 GLY H 1 66 ALA H . . 3.520 3.002 2.768 3.260 . 0 0 "[ . 1 . 2]" 1
206 1 32 CYS HB2 1 66 ALA H . . 3.260 2.705 2.353 3.076 . 0 0 "[ . 1 . 2]" 1
207 1 65 GLY HA2 1 66 ALA H . . 3.330 2.651 2.391 3.007 . 0 0 "[ . 1 . 2]" 1
208 1 32 CYS HB3 1 66 ALA H . . 3.650 3.002 2.834 3.239 . 0 0 "[ . 1 . 2]" 1
209 1 66 ALA H 1 66 ALA MB . . 2.700 2.487 2.292 2.630 . 0 0 "[ . 1 . 2]" 1
210 1 66 ALA H 1 80 LEU QD . . 3.870 3.802 3.664 3.950 0.080 1 0 "[ . 1 . 2]" 1
211 1 45 ALA HA 1 47 ALA H . . 4.230 3.730 3.463 4.038 . 0 0 "[ . 1 . 2]" 1
212 1 47 ALA H 1 49 LYS QB . . 4.890 4.729 4.390 4.895 0.005 13 0 "[ . 1 . 2]" 1
213 1 45 ALA H 1 47 ALA H . . 4.400 4.109 3.824 4.405 0.005 11 0 "[ . 1 . 2]" 1
214 1 47 ALA H 1 48 VAL HB . . 4.480 4.144 3.921 4.382 . 0 0 "[ . 1 . 2]" 1
215 1 67 PHE QD 1 80 LEU H . . 5.500 5.478 4.879 5.617 0.117 7 0 "[ . 1 . 2]" 1
216 1 80 LEU H 1 80 LEU HB2 . . 3.860 2.314 2.085 3.544 . 0 0 "[ . 1 . 2]" 1
217 1 80 LEU H 1 80 LEU QD . . 3.280 2.578 1.874 3.294 0.014 17 0 "[ . 1 . 2]" 1
218 1 68 GLU QG 1 80 LEU H . . 4.900 4.487 3.929 4.889 . 0 0 "[ . 1 . 2]" 1
219 1 79 LYS HB3 1 80 LEU H . . 5.090 3.075 2.533 3.789 . 0 0 "[ . 1 . 2]" 1
220 1 61 LEU H 1 62 GLY H . . 4.860 4.609 4.524 4.649 . 0 0 "[ . 1 . 2]" 1
221 1 35 CYS HB2 1 66 ALA H . . 5.500 5.508 5.366 5.577 0.077 11 0 "[ . 1 . 2]" 1
222 1 68 GLU HA 1 80 LEU H . . 5.340 4.938 4.587 5.338 . 0 0 "[ . 1 . 2]" 1
223 1 78 SER HA 1 80 LEU H . . 4.220 3.916 3.409 4.251 0.031 11 0 "[ . 1 . 2]" 1
224 1 80 LEU H 1 80 LEU HB3 . . 3.860 3.422 2.286 3.636 . 0 0 "[ . 1 . 2]" 1
225 1 67 PHE H 1 80 LEU H . . 4.420 3.946 3.137 4.440 0.020 8 0 "[ . 1 . 2]" 1
226 1 79 LYS H 1 80 LEU H . . 3.720 2.223 1.885 2.573 . 0 0 "[ . 1 . 2]" 1
227 1 79 LYS HB2 1 80 LEU H . . 5.090 3.929 2.936 4.329 . 0 0 "[ . 1 . 2]" 1
228 1 61 LEU H 1 61 LEU MD1 . . 4.210 3.663 1.882 4.206 . 0 0 "[ . 1 . 2]" 1
229 1 60 ARG HA 1 61 LEU H . . 2.530 2.343 2.213 2.544 0.014 16 0 "[ . 1 . 2]" 1
230 1 61 LEU H 1 61 LEU QB . . 2.540 2.177 2.087 2.393 . 0 0 "[ . 1 . 2]" 1
231 1 61 LEU H 1 61 LEU MD2 . . 4.210 3.465 2.089 4.245 0.035 13 0 "[ . 1 . 2]" 1
232 1 113 PRO HA 1 115 VAL H . . 5.500 5.049 3.535 5.509 0.009 6 0 "[ . 1 . 2]" 1
233 1 114 CYS HA 1 115 VAL H . . 3.450 2.497 2.155 3.500 0.050 13 0 "[ . 1 . 2]" 1
234 1 114 CYS QB 1 115 VAL H . . 4.080 3.679 2.743 3.988 . 0 0 "[ . 1 . 2]" 1
235 1 115 VAL H 1 115 VAL QG . . 4.110 2.191 1.844 2.763 . 0 0 "[ . 1 . 2]" 1
236 1 71 ILE H 1 74 GLN H . . 4.330 4.195 4.014 4.345 0.015 8 0 "[ . 1 . 2]" 1
237 1 71 ILE H 1 71 ILE MG . . 3.890 2.109 1.996 2.219 . 0 0 "[ . 1 . 2]" 1
238 1 98 ALA H 1 99 SER HA . . 5.390 5.224 4.938 5.397 0.007 14 0 "[ . 1 . 2]" 1
239 1 25 VAL QG 1 98 ALA H . . 4.560 3.702 3.276 3.939 . 0 0 "[ . 1 . 2]" 1
240 1 60 ARG H 1 61 LEU H . . 4.470 4.364 3.751 4.463 . 0 0 "[ . 1 . 2]" 1
241 1 60 ARG QG 1 61 LEU H . . 3.570 2.356 1.903 3.601 0.031 11 0 "[ . 1 . 2]" 1
242 1 77 PHE QD 1 78 SER H . . 4.370 3.891 3.393 4.395 0.025 7 0 "[ . 1 . 2]" 1
243 1 75 LEU QD 1 78 SER H . . 4.690 3.097 2.628 3.523 . 0 0 "[ . 1 . 2]" 1
244 1 77 PHE HA 1 78 SER H . . 2.770 2.192 2.139 2.290 . 0 0 "[ . 1 . 2]" 1
245 1 78 SER H 1 78 SER HB3 . . 3.850 3.516 3.042 3.822 . 0 0 "[ . 1 . 2]" 1
246 1 78 SER H 1 78 SER HB2 . . 3.850 2.662 2.147 3.458 . 0 0 "[ . 1 . 2]" 1
247 1 39 ALA H 1 41 TYR H . . 4.210 3.953 3.668 4.254 0.044 4 0 "[ . 1 . 2]" 1
248 1 41 TYR H 1 41 TYR QD . . 4.170 4.149 4.078 4.216 0.046 19 0 "[ . 1 . 2]" 1
249 1 40 THR HB 1 41 TYR H . . 3.470 3.074 2.531 3.424 . 0 0 "[ . 1 . 2]" 1
250 1 38 GLU HA 1 41 TYR H . . 3.750 3.123 2.840 3.458 . 0 0 "[ . 1 . 2]" 1
251 1 41 TYR H 1 41 TYR QB . . 3.180 2.245 2.187 2.346 . 0 0 "[ . 1 . 2]" 1
252 1 94 ALA H 1 95 ILE MG . . 5.030 4.196 4.014 4.454 . 0 0 "[ . 1 . 2]" 1
253 1 94 ALA H 1 95 ILE H . . 3.100 2.691 2.474 2.847 . 0 0 "[ . 1 . 2]" 1
254 1 94 ALA H 1 94 ALA MB . . 2.710 2.233 2.177 2.288 . 0 0 "[ . 1 . 2]" 1
255 1 90 ASP HA 1 94 ALA H . . 5.260 4.895 4.305 5.310 0.050 10 0 "[ . 1 . 2]" 1
256 1 69 ILE H 1 75 LEU HA . . 5.370 4.501 4.074 4.724 . 0 0 "[ . 1 . 2]" 1
257 1 71 ILE H 1 72 ASN H . . 4.440 2.562 2.470 2.714 . 0 0 "[ . 1 . 2]" 1
258 1 70 GLU HA 1 71 ILE H . . 2.770 2.199 2.153 2.329 . 0 0 "[ . 1 . 2]" 1
259 1 71 ILE H 1 71 ILE HB . . 3.330 2.575 2.485 2.643 . 0 0 "[ . 1 . 2]" 1
260 1 27 ILE HA 1 71 ILE H . . 4.880 4.839 4.536 4.927 0.047 15 0 "[ . 1 . 2]" 1
261 1 69 ILE HA 1 71 ILE H . . 5.500 5.442 4.881 5.585 0.085 16 0 "[ . 1 . 2]" 1
262 1 71 ILE H 1 76 VAL QG . . 3.230 2.300 1.905 3.050 . 0 0 "[ . 1 . 2]" 1
263 1 76 VAL H 1 77 PHE QD . . 5.090 4.972 4.764 5.126 0.036 20 0 "[ . 1 . 2]" 1
264 1 69 ILE H 1 76 VAL H . . 4.620 4.434 3.918 4.639 0.019 14 0 "[ . 1 . 2]" 1
265 1 75 LEU HA 1 76 VAL H . . 2.910 2.142 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
266 1 76 VAL H 1 76 VAL HB . . 3.920 3.011 2.623 3.762 . 0 0 "[ . 1 . 2]" 1
267 1 75 LEU HG 1 76 VAL H . . 3.950 3.477 3.191 3.726 . 0 0 "[ . 1 . 2]" 1
268 1 75 LEU QD 1 76 VAL H . . 3.060 2.709 2.466 2.967 . 0 0 "[ . 1 . 2]" 1
269 1 76 VAL H 1 76 VAL QG . . 3.380 2.490 1.932 2.866 . 0 0 "[ . 1 . 2]" 1
270 1 69 ILE MG 1 76 VAL H . . 4.570 4.371 4.046 4.591 0.021 14 0 "[ . 1 . 2]" 1
271 1 97 ARG H 1 98 ALA H . . 3.390 2.261 2.156 2.472 . 0 0 "[ . 1 . 2]" 1
272 1 97 ARG HB3 1 98 ALA H . . 3.870 3.548 2.707 3.844 . 0 0 "[ . 1 . 2]" 1
273 1 97 ARG HB2 1 98 ALA H . . 3.870 3.103 2.467 3.910 0.040 17 0 "[ . 1 . 2]" 1
274 1 98 ALA H 1 98 ALA MB . . 2.890 2.125 2.038 2.267 . 0 0 "[ . 1 . 2]" 1
275 1 98 ALA H 1 104 LEU QD . . 3.470 3.197 2.659 3.516 0.046 16 0 "[ . 1 . 2]" 1
276 1 95 ILE MG 1 98 ALA H . . 5.100 4.987 4.912 5.095 . 0 0 "[ . 1 . 2]" 1
277 1 95 ILE HA 1 98 ALA H . . 3.800 3.172 3.072 3.297 . 0 0 "[ . 1 . 2]" 1
278 1 94 ALA H 1 95 ILE HG13 . . 4.660 3.920 3.661 4.241 . 0 0 "[ . 1 . 2]" 1
279 1 92 ILE HA 1 94 ALA H . . 4.810 3.585 3.334 3.827 . 0 0 "[ . 1 . 2]" 1
280 1 93 GLU HB2 1 94 ALA H . . 4.340 4.297 4.131 4.393 0.053 1 0 "[ . 1 . 2]" 1
281 1 71 ILE MD 1 94 ALA H . . 3.980 3.961 3.642 4.023 0.043 15 0 "[ . 1 . 2]" 1
282 1 94 ALA H 1 95 ILE HA . . 5.390 5.278 5.111 5.404 0.014 10 0 "[ . 1 . 2]" 1
283 1 107 ILE MD 1 109 ASN H . . 5.210 4.769 4.205 5.216 0.006 13 0 "[ . 1 . 2]" 1
284 1 69 ILE H 1 79 LYS H . . 5.010 4.359 3.796 4.891 . 0 0 "[ . 1 . 2]" 1
285 1 69 ILE H 1 77 PHE H . . 4.000 3.793 3.195 3.970 . 0 0 "[ . 1 . 2]" 1
286 1 67 PHE QD 1 69 ILE H . . 5.030 4.774 4.434 4.990 . 0 0 "[ . 1 . 2]" 1
287 1 68 GLU HA 1 69 ILE H . . 3.010 2.145 2.139 2.188 . 0 0 "[ . 1 . 2]" 1
288 1 69 ILE H 1 70 GLU HA . . 5.290 5.242 5.109 5.329 0.039 20 0 "[ . 1 . 2]" 1
289 1 68 GLU HB3 1 69 ILE H . . 3.990 3.574 3.438 3.858 . 0 0 "[ . 1 . 2]" 1
290 1 68 GLU HB2 1 69 ILE H . . 4.940 4.379 4.247 4.435 . 0 0 "[ . 1 . 2]" 1
291 1 69 ILE H 1 69 ILE HB . . 3.610 2.518 2.488 2.649 . 0 0 "[ . 1 . 2]" 1
292 1 69 ILE H 1 69 ILE HG13 . . 3.980 2.406 2.059 2.677 . 0 0 "[ . 1 . 2]" 1
293 1 69 ILE H 1 69 ILE HG12 . . 4.400 3.741 3.214 4.013 . 0 0 "[ . 1 . 2]" 1
294 1 69 ILE H 1 75 LEU QD . . 3.630 2.662 2.391 2.963 . 0 0 "[ . 1 . 2]" 1
295 1 69 ILE H 1 69 ILE MG . . 4.180 3.787 3.777 3.799 . 0 0 "[ . 1 . 2]" 1
296 1 69 ILE H 1 69 ILE MD . . 4.390 3.513 2.624 3.787 . 0 0 "[ . 1 . 2]" 1
297 1 17 GLU HA 1 18 GLU H . . 2.650 2.511 2.224 3.310 0.660 13 1 "[ . 1 + . 2]" 1
298 1 107 ILE HB 1 109 ASN H . . 5.340 3.525 2.680 4.399 . 0 0 "[ . 1 . 2]" 1
299 1 107 ILE HA 1 109 ASN H . . 3.950 3.673 3.525 3.957 0.007 11 0 "[ . 1 . 2]" 1
300 1 109 ASN H 1 109 ASN QB . . 3.370 2.817 2.264 3.287 . 0 0 "[ . 1 . 2]" 1
301 1 107 ILE MG 1 109 ASN H . . 3.050 1.906 1.838 1.969 . 0 0 "[ . 1 . 2]" 1
302 1 108 THR MG 1 109 ASN H . . 4.380 3.021 1.943 3.500 . 0 0 "[ . 1 . 2]" 1
303 1 110 SER HB2 1 111 ARG H . . 4.000 3.464 2.069 3.895 . 0 0 "[ . 1 . 2]" 1
304 1 111 ARG H 1 111 ARG HB3 . . 4.190 3.539 2.675 3.968 . 0 0 "[ . 1 . 2]" 1
305 1 111 ARG H 1 111 ARG HB2 . . 4.190 3.307 2.225 3.902 . 0 0 "[ . 1 . 2]" 1
306 1 111 ARG H 1 111 ARG QG . . 3.740 2.776 1.927 4.028 0.288 13 0 "[ . 1 . 2]" 1
307 1 17 GLU QG 1 18 GLU H . . 4.140 3.268 1.931 4.206 0.066 13 0 "[ . 1 . 2]" 1
308 1 18 GLU H 1 18 GLU QG . . 4.440 2.911 1.916 4.252 . 0 0 "[ . 1 . 2]" 1
309 1 5 GLY H 1 6 GLU H . . 3.500 2.948 1.992 3.466 . 0 0 "[ . 1 . 2]" 1
310 1 104 LEU QD 1 105 GLU H . . 3.800 3.656 3.339 3.858 0.058 4 0 "[ . 1 . 2]" 1
311 1 11 SER QB 1 12 VAL H . . 4.810 2.508 2.057 3.985 . 0 0 "[ . 1 . 2]" 1
312 1 12 VAL H 1 12 VAL QG . . 3.970 2.087 1.866 2.819 . 0 0 "[ . 1 . 2]" 1
313 1 11 SER HA 1 12 VAL H . . 3.240 2.474 2.203 2.617 . 0 0 "[ . 1 . 2]" 1
314 1 24 GLY H 1 25 VAL H . . 3.270 1.863 1.824 1.895 . 0 0 "[ . 1 . 2]" 1
315 1 23 SER HA 1 25 VAL H . . 4.000 3.612 3.354 3.852 . 0 0 "[ . 1 . 2]" 1
316 1 25 VAL H 1 25 VAL HB . . 3.070 2.966 2.930 3.000 . 0 0 "[ . 1 . 2]" 1
317 1 25 VAL H 1 56 GLU HB2 . . 5.500 5.423 5.056 5.537 0.037 6 0 "[ . 1 . 2]" 1
318 1 25 VAL H 1 95 ILE HB . . 5.240 4.864 4.427 5.207 . 0 0 "[ . 1 . 2]" 1
319 1 25 VAL H 1 25 VAL QG . . 2.970 2.779 2.723 2.931 . 0 0 "[ . 1 . 2]" 1
320 1 23 SER QB 1 25 VAL H . . 5.130 4.781 4.350 5.146 0.016 12 0 "[ . 1 . 2]" 1
321 1 25 VAL H 1 55 ILE MG . . 3.910 2.547 2.128 3.133 . 0 0 "[ . 1 . 2]" 1
322 1 44 LEU H 1 45 ALA HA . . 5.500 4.725 4.388 5.169 . 0 0 "[ . 1 . 2]" 1
323 1 44 LEU H 1 44 LEU HB3 . . 3.130 2.833 2.352 3.147 0.017 4 0 "[ . 1 . 2]" 1
324 1 44 LEU H 1 44 LEU HG . . 3.970 2.576 1.952 3.991 0.021 15 0 "[ . 1 . 2]" 1
325 1 44 LEU H 1 44 LEU HB2 . . 4.010 3.712 3.563 3.862 . 0 0 "[ . 1 . 2]" 1
326 1 107 ILE HG12 1 109 ASN H . . 5.500 5.176 4.700 5.525 0.025 7 0 "[ . 1 . 2]" 1
327 1 107 ILE HG13 1 109 ASN H . . 5.500 5.233 4.902 5.523 0.023 19 0 "[ . 1 . 2]" 1
328 1 104 LEU HA 1 105 GLU H . . 2.480 2.368 2.154 2.585 0.105 6 0 "[ . 1 . 2]" 1
329 1 104 LEU HB2 1 105 GLU H . . 3.850 3.417 2.490 3.917 0.067 4 0 "[ . 1 . 2]" 1
330 1 105 GLU H 1 105 GLU QG . . 3.490 2.622 1.956 3.338 . 0 0 "[ . 1 . 2]" 1
331 1 104 LEU HB3 1 105 GLU H . . 3.850 2.694 2.190 3.526 . 0 0 "[ . 1 . 2]" 1
332 1 12 VAL H 1 12 VAL HB . . 4.080 3.362 2.606 3.922 . 0 0 "[ . 1 . 2]" 1
333 1 12 VAL H 1 13 ALA MB . . 5.470 4.547 3.440 5.365 . 0 0 "[ . 1 . 2]" 1
334 1 25 VAL H 1 55 ILE HB . . 4.820 3.459 3.118 3.979 . 0 0 "[ . 1 . 2]" 1
335 1 25 VAL H 1 26 ARG HA . . 5.500 4.730 4.705 4.767 . 0 0 "[ . 1 . 2]" 1
336 1 25 VAL H 1 26 ARG HB2 . . 5.500 5.382 5.266 5.477 . 0 0 "[ . 1 . 2]" 1
337 1 40 THR HA 1 44 LEU H . . 5.110 4.687 4.106 5.133 0.023 17 0 "[ . 1 . 2]" 1
338 1 87 TYR HA 1 91 LEU H . . 5.500 5.434 5.024 5.539 0.039 19 0 "[ . 1 . 2]" 1
339 1 89 LYS HA 1 91 LEU H . . 4.350 3.897 3.699 4.413 0.063 18 0 "[ . 1 . 2]" 1
340 1 88 GLU HA 1 91 LEU H . . 3.790 3.622 3.188 3.781 . 0 0 "[ . 1 . 2]" 1
341 1 91 LEU H 1 92 ILE HB . . 4.630 4.503 4.146 4.656 0.026 16 0 "[ . 1 . 2]" 1
342 1 91 LEU H 1 91 LEU HB3 . . 3.870 3.541 3.423 3.633 . 0 0 "[ . 1 . 2]" 1
343 1 91 LEU H 1 91 LEU HG . . 4.200 3.242 2.535 4.213 0.013 14 0 "[ . 1 . 2]" 1
344 1 91 LEU H 1 91 LEU HB2 . . 3.090 2.291 2.165 2.439 . 0 0 "[ . 1 . 2]" 1
345 1 91 LEU H 1 92 ILE H . . 3.170 2.236 2.080 2.436 . 0 0 "[ . 1 . 2]" 1
346 1 91 LEU H 1 93 GLU H . . 4.440 3.718 3.500 3.972 . 0 0 "[ . 1 . 2]" 1
347 1 90 ASP HB3 1 91 LEU H . . 3.550 3.169 2.776 3.460 . 0 0 "[ . 1 . 2]" 1
348 1 90 ASP HB2 1 91 LEU H . . 4.340 4.197 3.793 4.326 . 0 0 "[ . 1 . 2]" 1
349 1 41 TYR QD 1 45 ALA H . . 5.090 4.888 4.403 5.121 0.031 15 0 "[ . 1 . 2]" 1
350 1 41 TYR HA 1 45 ALA H . . 4.710 4.302 3.823 4.740 0.030 12 0 "[ . 1 . 2]" 1
351 1 93 GLU H 1 93 GLU HG2 . . 3.820 2.645 2.088 3.414 . 0 0 "[ . 1 . 2]" 1
352 1 92 ILE MG 1 93 GLU H . . 3.580 2.299 2.001 2.621 . 0 0 "[ . 1 . 2]" 1
353 1 44 LEU HG 1 45 ALA H . . 4.500 2.925 2.028 4.642 0.142 17 0 "[ . 1 . 2]" 1
354 1 44 LEU H 1 45 ALA H . . 2.950 2.068 1.726 2.663 . 0 0 "[ . 1 . 2]" 1
355 1 45 ALA H 1 46 SER H . . 3.230 2.554 2.270 2.816 . 0 0 "[ . 1 . 2]" 1
356 1 43 GLU HA 1 45 ALA H . . 4.790 4.456 3.920 4.809 0.019 7 0 "[ . 1 . 2]" 1
357 1 45 ALA H 1 46 SER QB . . 5.160 4.382 4.012 4.829 . 0 0 "[ . 1 . 2]" 1
358 1 42 LEU HA 1 45 ALA H . . 3.750 3.146 2.794 3.741 . 0 0 "[ . 1 . 2]" 1
359 1 45 ALA H 1 48 VAL HB . . 5.290 4.820 4.334 5.298 0.008 1 0 "[ . 1 . 2]" 1
360 1 44 LEU HB3 1 45 ALA H . . 4.210 4.050 3.841 4.247 0.037 20 0 "[ . 1 . 2]" 1
361 1 45 ALA H 1 45 ALA MB . . 2.670 2.216 2.142 2.299 . 0 0 "[ . 1 . 2]" 1
362 1 106 LYS H 1 106 LYS QB . . 3.140 2.611 2.121 3.078 . 0 0 "[ . 1 . 2]" 1
363 1 18 GLU HA 1 19 VAL H . . 2.400 2.218 2.145 2.392 . 0 0 "[ . 1 . 2]" 1
364 1 17 GLU QG 1 19 VAL H . . 5.030 4.200 2.701 5.033 0.003 5 0 "[ . 1 . 2]" 1
365 1 18 GLU QG 1 19 VAL H . . 5.470 4.153 3.433 4.503 . 0 0 "[ . 1 . 2]" 1
366 1 19 VAL H 1 19 VAL HB . . 3.110 2.906 2.739 3.177 0.067 15 0 "[ . 1 . 2]" 1
367 1 19 VAL H 1 19 VAL QG . . 2.780 2.678 1.921 2.777 . 0 0 "[ . 1 . 2]" 1
368 1 90 ASP HA 1 93 GLU H . . 3.730 3.500 3.332 3.607 . 0 0 "[ . 1 . 2]" 1
369 1 92 ILE H 1 93 GLU H . . 3.570 2.191 1.905 2.411 . 0 0 "[ . 1 . 2]" 1
370 1 91 LEU HA 1 93 GLU H . . 4.630 4.240 4.003 4.503 . 0 0 "[ . 1 . 2]" 1
371 1 89 LYS HA 1 93 GLU H . . 4.790 4.146 3.672 4.806 0.016 20 0 "[ . 1 . 2]" 1
372 1 93 GLU H 1 93 GLU HG3 . . 3.820 3.023 2.245 3.711 . 0 0 "[ . 1 . 2]" 1
373 1 93 GLU H 1 93 GLU HB3 . . 2.880 2.517 2.450 2.632 . 0 0 "[ . 1 . 2]" 1
374 1 87 TYR H 1 87 TYR QD . . 3.750 3.092 2.262 3.417 . 0 0 "[ . 1 . 2]" 1
375 1 87 TYR H 1 87 TYR QE . . 5.100 4.817 4.237 5.075 . 0 0 "[ . 1 . 2]" 1
376 1 87 TYR H 1 90 ASP HA . . 5.500 5.329 4.907 5.561 0.061 9 0 "[ . 1 . 2]" 1
377 1 87 TYR H 1 87 TYR HB2 . . 3.900 2.771 2.380 2.983 . 0 0 "[ . 1 . 2]" 1
378 1 87 TYR H 1 90 ASP HB3 . . 4.050 2.364 1.940 2.726 . 0 0 "[ . 1 . 2]" 1
379 1 87 TYR H 1 90 ASP HB2 . . 5.270 3.726 2.998 4.131 . 0 0 "[ . 1 . 2]" 1
380 1 87 TYR H 1 91 LEU HG . . 5.310 3.891 3.312 5.353 0.043 11 0 "[ . 1 . 2]" 1
381 1 86 PRO HB2 1 87 TYR H . . 4.230 2.368 1.939 3.491 . 0 0 "[ . 1 . 2]" 1
382 1 86 PRO HA 1 87 TYR H . . 3.220 2.514 2.157 2.704 . 0 0 "[ . 1 . 2]" 1
383 1 86 PRO HB3 1 87 TYR H . . 4.230 3.346 3.159 3.973 . 0 0 "[ . 1 . 2]" 1
384 1 72 ASN HA 1 74 GLN H . . 4.250 4.219 4.173 4.288 0.038 2 0 "[ . 1 . 2]" 1
385 1 73 GLY H 1 74 GLN H . . 3.170 2.612 2.537 2.665 . 0 0 "[ . 1 . 2]" 1
386 1 70 GLU HA 1 74 GLN H . . 3.740 3.607 3.336 3.770 0.030 6 0 "[ . 1 . 2]" 1
387 1 74 GLN H 1 74 GLN QB . . 2.710 2.488 2.408 2.572 . 0 0 "[ . 1 . 2]" 1
388 1 72 ASN H 1 74 GLN H . . 4.460 2.551 2.445 2.621 . 0 0 "[ . 1 . 2]" 1
389 1 93 GLU H 1 95 ILE H . . 5.370 4.770 4.440 5.053 . 0 0 "[ . 1 . 2]" 1
390 1 93 GLU H 1 96 ARG H . . 5.500 5.126 4.929 5.361 . 0 0 "[ . 1 . 2]" 1
391 1 16 PRO HA 1 17 GLU H . . 2.760 2.563 2.330 2.654 . 0 0 "[ . 1 . 2]" 1
392 1 16 PRO HB3 1 17 GLU H . . 3.810 3.287 3.197 3.553 . 0 0 "[ . 1 . 2]" 1
393 1 16 PRO HB2 1 17 GLU H . . 2.800 2.245 2.043 2.801 0.001 13 0 "[ . 1 . 2]" 1
394 1 17 GLU H 1 19 VAL QG . . 4.860 4.686 4.062 4.880 0.020 4 0 "[ . 1 . 2]" 1
395 1 30 GLU QG 1 31 TYR H . . 3.670 3.259 3.047 3.684 0.014 19 0 "[ . 1 . 2]" 1
396 1 46 SER HA 1 49 LYS H . . 4.810 4.278 3.885 4.745 . 0 0 "[ . 1 . 2]" 1
397 1 48 VAL QG 1 49 LYS H . . 3.730 2.742 2.055 3.368 . 0 0 "[ . 1 . 2]" 1
398 1 42 LEU H 1 43 GLU H . . 3.360 2.366 2.114 2.550 . 0 0 "[ . 1 . 2]" 1
399 1 40 THR HA 1 43 GLU H . . 3.790 3.545 3.140 3.817 0.027 6 0 "[ . 1 . 2]" 1
400 1 43 GLU H 1 43 GLU HB2 . . 2.830 2.351 2.109 3.729 0.899 7 2 "[ - + 1 . 2]" 1
401 1 42 LEU HB3 1 43 GLU H . . 4.000 3.438 2.911 4.081 0.081 12 0 "[ . 1 . 2]" 1
402 1 42 LEU HB2 1 43 GLU H . . 4.000 3.531 2.884 4.176 0.176 5 0 "[ . 1 . 2]" 1
403 1 53 PRO HA 1 55 ILE H . . 4.610 4.390 4.216 4.545 . 0 0 "[ . 1 . 2]" 1
404 1 52 TYR QB 1 55 ILE H . . 3.880 2.699 2.597 2.803 . 0 0 "[ . 1 . 2]" 1
405 1 55 ILE H 1 55 ILE HB . . 3.670 3.613 3.609 3.624 . 0 0 "[ . 1 . 2]" 1
406 1 55 ILE H 1 55 ILE QG . . 3.850 2.377 2.336 2.421 . 0 0 "[ . 1 . 2]" 1
407 1 55 ILE H 1 55 ILE MG . . 2.970 1.981 1.905 2.255 . 0 0 "[ . 1 . 2]" 1
408 1 55 ILE H 1 55 ILE MD . . 4.210 3.968 3.924 4.001 . 0 0 "[ . 1 . 2]" 1
409 1 31 TYR H 1 61 LEU HA . . 4.190 3.713 2.135 4.206 0.016 19 0 "[ . 1 . 2]" 1
410 1 30 GLU HA 1 31 TYR H . . 2.700 2.159 2.145 2.263 . 0 0 "[ . 1 . 2]" 1
411 1 31 TYR H 1 31 TYR QD . . 3.590 2.860 2.334 3.088 . 0 0 "[ . 1 . 2]" 1
412 1 49 LYS H 1 49 LYS QD . . 5.090 4.275 3.898 4.691 . 0 0 "[ . 1 . 2]" 1
413 1 45 ALA HA 1 49 LYS H . . 4.860 3.741 2.758 4.419 . 0 0 "[ . 1 . 2]" 1
414 1 9 GLN H 1 10 THR HA . . 4.880 4.709 4.480 4.992 0.112 20 0 "[ . 1 . 2]" 1
415 1 9 GLN H 1 10 THR MG . . 4.730 4.104 3.360 4.736 0.006 16 0 "[ . 1 . 2]" 1
416 1 102 GLU H 1 103 THR H . . 4.530 4.334 1.845 4.552 0.022 14 0 "[ . 1 . 2]" 1
417 1 43 GLU H 1 45 ALA H . . 4.730 3.718 3.165 4.053 . 0 0 "[ . 1 . 2]" 1
418 1 31 TYR H 1 60 ARG H . . 4.020 3.678 3.238 4.211 0.191 11 0 "[ . 1 . 2]" 1
419 1 88 GLU HA 1 92 ILE H . . 4.840 4.692 4.235 4.854 0.014 5 0 "[ . 1 . 2]" 1
420 1 91 LEU HB2 1 92 ILE H . . 3.770 3.154 2.827 3.513 . 0 0 "[ . 1 . 2]" 1
421 1 100 ASN HA 1 102 GLU H . . 5.070 4.714 4.326 4.915 . 0 0 "[ . 1 . 2]" 1
422 1 100 ASN HB2 1 102 GLU H . . 4.330 4.243 4.016 4.339 0.009 7 0 "[ . 1 . 2]" 1
423 1 100 ASN H 1 102 GLU H . . 4.150 3.995 3.831 4.097 . 0 0 "[ . 1 . 2]" 1
424 1 41 TYR H 1 42 LEU H . . 3.380 2.338 2.016 2.749 . 0 0 "[ . 1 . 2]" 1
425 1 39 ALA HA 1 42 LEU H . . 3.940 3.754 3.335 3.986 0.046 12 0 "[ . 1 . 2]" 1
426 1 41 TYR QB 1 42 LEU H . . 3.680 2.855 2.710 3.122 . 0 0 "[ . 1 . 2]" 1
427 1 42 LEU H 1 42 LEU HB3 . . 3.360 3.167 2.228 3.589 0.229 15 0 "[ . 1 . 2]" 1
428 1 42 LEU H 1 42 LEU HB2 . . 3.360 2.277 2.079 3.521 0.161 5 0 "[ . 1 . 2]" 1
429 1 42 LEU H 1 42 LEU QD . . 3.740 3.015 1.862 3.521 . 0 0 "[ . 1 . 2]" 1
430 1 89 LYS HA 1 92 ILE H . . 3.870 3.391 3.243 3.638 . 0 0 "[ . 1 . 2]" 1
431 1 92 ILE H 1 92 ILE HB . . 3.060 2.687 2.476 2.847 . 0 0 "[ . 1 . 2]" 1
432 1 91 LEU HB3 1 92 ILE H . . 3.890 3.795 3.540 3.920 0.030 6 0 "[ . 1 . 2]" 1
433 1 92 ILE H 1 92 ILE MG . . 3.670 2.120 1.905 2.423 . 0 0 "[ . 1 . 2]" 1
434 1 92 ILE H 1 92 ILE MD . . 5.450 4.432 4.002 4.648 . 0 0 "[ . 1 . 2]" 1
435 1 100 ASN HB3 1 102 GLU H . . 4.100 2.683 2.309 3.011 . 0 0 "[ . 1 . 2]" 1
436 1 70 GLU HA 1 77 PHE H . . 5.090 4.723 4.303 5.161 0.071 20 0 "[ . 1 . 2]" 1
437 1 77 PHE H 1 77 PHE HB3 . . 3.920 3.842 3.782 3.869 . 0 0 "[ . 1 . 2]" 1
438 1 76 VAL HB 1 77 PHE H . . 4.290 3.347 2.944 4.146 . 0 0 "[ . 1 . 2]" 1
439 1 77 PHE H 1 77 PHE HB2 . . 3.920 2.875 2.846 2.985 . 0 0 "[ . 1 . 2]" 1
440 1 75 LEU HG 1 77 PHE H . . 3.680 3.548 3.278 3.888 0.208 20 0 "[ . 1 . 2]" 1
441 1 68 GLU HA 1 77 PHE H . . 5.360 5.098 4.497 5.364 0.004 3 0 "[ . 1 . 2]" 1
442 1 90 ASP HA 1 92 ILE H . . 5.500 4.065 3.834 4.402 . 0 0 "[ . 1 . 2]" 1
443 1 39 ALA H 1 39 ALA MB . . 2.690 2.187 2.037 2.287 . 0 0 "[ . 1 . 2]" 1
444 1 39 ALA H 1 40 THR H . . 3.500 2.593 2.458 2.942 . 0 0 "[ . 1 . 2]" 1
445 1 76 VAL H 1 77 PHE H . . 2.780 1.888 1.851 1.941 . 0 0 "[ . 1 . 2]" 1
446 1 75 LEU HA 1 77 PHE H . . 3.610 3.537 3.390 3.647 0.037 19 0 "[ . 1 . 2]" 1
447 1 69 ILE HB 1 77 PHE H . . 4.000 3.446 3.024 3.865 . 0 0 "[ . 1 . 2]" 1
448 1 75 LEU QD 1 77 PHE H . . 2.960 2.380 1.886 2.945 . 0 0 "[ . 1 . 2]" 1
449 1 77 PHE H 1 77 PHE QD . . 4.740 3.994 3.805 4.319 . 0 0 "[ . 1 . 2]" 1
450 1 96 ARG HB2 1 97 ARG H . . 4.560 3.658 2.678 4.157 . 0 0 "[ . 1 . 2]" 1
451 1 96 ARG HB3 1 97 ARG H . . 4.560 2.826 2.283 3.453 . 0 0 "[ . 1 . 2]" 1
452 1 100 ASN H 1 104 LEU QD . . 5.240 4.825 4.416 5.137 . 0 0 "[ . 1 . 2]" 1
453 1 32 CYS H 1 67 PHE QD . . 5.180 4.646 4.373 5.000 . 0 0 "[ . 1 . 2]" 1
454 1 32 CYS H 1 32 CYS HB2 . . 4.040 2.747 2.649 2.818 . 0 0 "[ . 1 . 2]" 1
455 1 31 TYR HA 1 32 CYS H . . 3.400 2.387 2.332 2.431 . 0 0 "[ . 1 . 2]" 1
456 1 32 CYS H 1 32 CYS HB3 . . 3.690 2.374 2.324 2.454 . 0 0 "[ . 1 . 2]" 1
457 1 94 ALA MB 1 95 ILE H . . 2.840 2.315 2.115 2.704 . 0 0 "[ . 1 . 2]" 1
458 1 32 CYS H 1 66 ALA MB . . 4.330 3.786 3.451 4.035 . 0 0 "[ . 1 . 2]" 1
459 1 95 ILE H 1 98 ALA MB . . 4.770 4.234 3.801 4.515 . 0 0 "[ . 1 . 2]" 1
460 1 71 ILE QG 1 95 ILE H . . 4.210 3.836 3.521 4.203 . 0 0 "[ . 1 . 2]" 1
461 1 95 ILE H 1 95 ILE MG . . 3.560 2.126 1.925 2.386 . 0 0 "[ . 1 . 2]" 1
462 1 31 TYR QD 1 32 CYS H . . 4.700 3.127 3.023 3.447 . 0 0 "[ . 1 . 2]" 1
463 1 100 ASN H 1 101 GLY H . . 3.190 2.555 2.398 2.628 . 0 0 "[ . 1 . 2]" 1
464 1 100 ASN H 1 100 ASN HB2 . . 3.040 2.285 2.215 2.359 . 0 0 "[ . 1 . 2]" 1
465 1 98 ALA MB 1 100 ASN H . . 4.340 4.163 4.105 4.284 . 0 0 "[ . 1 . 2]" 1
466 1 25 VAL QG 1 100 ASN H . . 5.010 4.504 4.289 4.630 . 0 0 "[ . 1 . 2]" 1
467 1 98 ALA H 1 100 ASN H . . 4.050 3.722 3.527 4.042 . 0 0 "[ . 1 . 2]" 1
468 1 99 SER HA 1 100 ASN H . . 3.480 3.377 3.375 3.382 . 0 0 "[ . 1 . 2]" 1
469 1 97 ARG HA 1 100 ASN H . . 3.760 3.487 3.344 3.760 . 7 0 "[ . 1 . 2]" 1
470 1 99 SER QB 1 100 ASN H . . 3.940 3.265 3.142 3.736 . 0 0 "[ . 1 . 2]" 1
471 1 100 ASN H 1 100 ASN HB3 . . 3.350 2.831 2.773 2.906 . 0 0 "[ . 1 . 2]" 1
472 1 88 GLU H 1 90 ASP H . . 5.260 3.964 3.719 4.120 . 0 0 "[ . 1 . 2]" 1
473 1 87 TYR H 1 90 ASP H . . 4.940 3.803 3.546 3.976 . 0 0 "[ . 1 . 2]" 1
474 1 89 LYS H 1 90 ASP H . . 3.550 2.371 2.174 2.760 . 0 0 "[ . 1 . 2]" 1
475 1 90 ASP H 1 92 ILE H . . 4.060 3.924 3.683 4.089 0.029 20 0 "[ . 1 . 2]" 1
476 1 90 ASP H 1 91 LEU H . . 3.040 2.405 2.332 2.472 . 0 0 "[ . 1 . 2]" 1
477 1 87 TYR HA 1 90 ASP H . . 4.790 4.319 4.136 4.643 . 0 0 "[ . 1 . 2]" 1
478 1 87 TYR HB2 1 90 ASP H . . 3.080 2.327 2.057 2.841 . 0 0 "[ . 1 . 2]" 1
479 1 90 ASP H 1 90 ASP HB3 . . 3.410 2.443 2.289 2.712 . 0 0 "[ . 1 . 2]" 1
480 1 90 ASP H 1 90 ASP HB2 . . 3.400 2.724 2.466 2.879 . 0 0 "[ . 1 . 2]" 1
481 1 89 LYS HB3 1 90 ASP H . . 4.200 4.029 3.923 4.170 . 0 0 "[ . 1 . 2]" 1
482 1 89 LYS HB2 1 90 ASP H . . 4.200 4.044 3.875 4.184 . 0 0 "[ . 1 . 2]" 1
483 1 88 GLU HA 1 90 ASP H . . 4.330 4.185 3.963 4.360 0.030 14 0 "[ . 1 . 2]" 1
484 1 95 ILE H 1 95 ILE HG13 . . 3.510 2.164 1.951 2.474 . 0 0 "[ . 1 . 2]" 1
485 1 71 ILE MD 1 95 ILE H . . 3.070 2.438 2.075 2.997 . 0 0 "[ . 1 . 2]" 1
486 1 107 ILE MD 1 108 THR H . . 5.270 4.469 3.608 5.287 0.017 19 0 "[ . 1 . 2]" 1
487 1 108 THR H 1 109 ASN H . . 3.340 2.599 1.932 2.867 . 0 0 "[ . 1 . 2]" 1
488 1 107 ILE HA 1 108 THR H . . 2.840 2.166 2.139 2.303 . 0 0 "[ . 1 . 2]" 1
489 1 108 THR H 1 109 ASN QB . . 5.000 4.555 3.807 5.005 0.005 15 0 "[ . 1 . 2]" 1
490 1 107 ILE MG 1 108 THR H . . 3.560 2.425 1.902 2.837 . 0 0 "[ . 1 . 2]" 1
491 1 108 THR H 1 108 THR MG . . 3.600 2.089 1.953 2.322 . 0 0 "[ . 1 . 2]" 1
492 1 48 VAL QG 1 52 TYR H . . 4.400 4.013 3.478 4.555 0.155 3 0 "[ . 1 . 2]" 1
493 1 51 GLN H 1 52 TYR H . . 2.820 2.412 1.889 2.780 . 0 0 "[ . 1 . 2]" 1
494 1 51 GLN QB 1 52 TYR H . . 3.210 2.431 2.163 3.214 0.004 2 0 "[ . 1 . 2]" 1
495 1 78 SER HA 1 81 GLU H . . 5.000 4.753 4.431 5.055 0.055 1 0 "[ . 1 . 2]" 1
496 1 81 GLU H 1 81 GLU HB3 . . 3.830 3.397 2.842 3.697 . 0 0 "[ . 1 . 2]" 1
497 1 81 GLU H 1 81 GLU HB2 . . 3.830 3.039 2.439 3.731 . 0 0 "[ . 1 . 2]" 1
498 1 80 LEU QD 1 81 GLU H . . 4.290 3.941 2.142 4.317 0.027 8 0 "[ . 1 . 2]" 1
499 1 80 LEU H 1 81 GLU H . . 3.670 2.520 2.331 2.767 . 0 0 "[ . 1 . 2]" 1
500 1 81 GLU H 1 82 ASN HA . . 5.150 4.970 4.717 5.125 . 0 0 "[ . 1 . 2]" 1
501 1 78 SER HB3 1 81 GLU H . . 4.010 3.290 1.987 4.020 0.010 8 0 "[ . 1 . 2]" 1
502 1 78 SER HB2 1 81 GLU H . . 4.010 3.211 2.108 4.039 0.029 6 0 "[ . 1 . 2]" 1
503 1 80 LEU HB2 1 81 GLU H . . 3.980 3.251 2.646 4.052 0.072 19 0 "[ . 1 . 2]" 1
504 1 108 THR H 1 109 ASN HA . . 5.080 4.827 4.137 5.061 . 0 0 "[ . 1 . 2]" 1
505 1 107 ILE H 1 108 THR H . . 4.680 4.423 4.232 4.627 . 0 0 "[ . 1 . 2]" 1
506 1 107 ILE HB 1 108 THR H . . 4.620 4.089 3.610 4.306 . 0 0 "[ . 1 . 2]" 1
507 1 49 LYS HA 1 52 TYR H . . 3.920 3.638 3.453 3.924 0.004 13 0 "[ . 1 . 2]" 1
508 1 48 VAL HA 1 52 TYR H . . 5.430 4.798 3.714 5.450 0.020 3 0 "[ . 1 . 2]" 1
509 1 52 TYR H 1 52 TYR QB . . 3.270 3.036 2.486 3.434 0.164 3 0 "[ . 1 . 2]" 1
510 1 52 TYR H 1 53 PRO HA . . 4.660 4.497 4.150 4.673 0.013 16 0 "[ . 1 . 2]" 1
511 1 81 GLU H 1 82 ASN HB2 . . 4.740 4.698 4.494 5.732 0.992 1 1 "[+ . 1 . 2]" 1
512 1 80 LEU HB3 1 81 GLU H . . 3.980 3.749 3.315 4.068 0.088 1 0 "[ . 1 . 2]" 1
513 1 48 VAL H 1 50 GLU H . . 4.370 4.072 3.834 4.296 . 0 0 "[ . 1 . 2]" 1
514 1 48 VAL HA 1 50 GLU H . . 4.230 3.904 3.493 4.213 . 0 0 "[ . 1 . 2]" 1
515 1 49 LYS QE 1 50 GLU H . . 5.200 5.016 4.699 5.219 0.019 11 0 "[ . 1 . 2]" 1
516 1 50 GLU H 1 50 GLU QG . . 4.210 4.013 3.902 4.133 . 0 0 "[ . 1 . 2]" 1
517 1 50 GLU H 1 50 GLU HB3 . . 2.950 2.664 2.506 2.851 . 0 0 "[ . 1 . 2]" 1
518 1 50 GLU H 1 50 GLU HB2 . . 2.950 2.488 2.313 2.730 . 0 0 "[ . 1 . 2]" 1
519 1 49 LYS H 1 50 GLU H . . 3.200 2.531 2.399 2.722 . 0 0 "[ . 1 . 2]" 1
520 1 47 ALA HA 1 50 GLU H . . 3.770 3.486 3.259 3.724 . 0 0 "[ . 1 . 2]" 1
521 1 49 LYS QB 1 50 GLU H . . 3.240 2.942 2.634 3.213 . 0 0 "[ . 1 . 2]" 1
522 1 48 VAL QG 1 50 GLU H . . 4.510 4.178 3.907 4.512 0.002 13 0 "[ . 1 . 2]" 1
523 1 47 ALA MB 1 50 GLU H . . 4.960 4.451 4.252 4.774 . 0 0 "[ . 1 . 2]" 1
524 1 49 LYS QG 1 50 GLU H . . 5.170 4.133 3.706 4.528 . 0 0 "[ . 1 . 2]" 1
525 1 87 TYR HA 1 89 LYS H . . 5.370 4.102 3.689 4.843 . 0 0 "[ . 1 . 2]" 1
526 1 87 TYR HB3 1 89 LYS H . . 4.400 2.908 2.620 3.413 . 0 0 "[ . 1 . 2]" 1
527 1 88 GLU HB3 1 89 LYS H . . 4.660 3.695 2.700 4.194 . 0 0 "[ . 1 . 2]" 1
528 1 89 LYS H 1 89 LYS HB3 . . 3.770 2.603 2.340 2.808 . 0 0 "[ . 1 . 2]" 1
529 1 89 LYS H 1 89 LYS HB2 . . 3.770 3.626 3.564 3.670 . 0 0 "[ . 1 . 2]" 1
530 1 110 SER H 1 111 ARG H . . 4.710 4.158 2.417 4.622 . 0 0 "[ . 1 . 2]" 1
531 1 109 ASN H 1 110 SER H . . 4.000 3.214 2.546 4.043 0.043 8 0 "[ . 1 . 2]" 1
532 1 107 ILE MG 1 110 SER H . . 5.090 4.017 3.065 5.087 . 0 0 "[ . 1 . 2]" 1
533 1 37 PHE H 1 37 PHE QE . . 5.040 4.737 4.432 5.012 . 0 0 "[ . 1 . 2]" 1
534 1 89 LYS H 1 90 ASP HA . . 5.500 5.021 4.828 5.356 . 0 0 "[ . 1 . 2]" 1
535 1 87 TYR QD 1 89 LYS H . . 5.400 4.830 4.610 5.216 . 0 0 "[ . 1 . 2]" 1
536 1 109 ASN HA 1 110 SER H . . 2.920 2.555 2.170 2.986 0.066 2 0 "[ . 1 . 2]" 1
537 1 109 ASN QB 1 110 SER H . . 4.090 3.825 3.582 4.040 . 0 0 "[ . 1 . 2]" 1
538 1 102 GLU HA 1 103 THR H . . 2.610 2.356 2.140 3.115 0.505 16 1 "[ . 1 .+ 2]" 1
539 1 103 THR H 1 103 THR MG . . 3.660 3.583 2.048 3.935 0.275 16 0 "[ . 1 . 2]" 1
540 1 38 GLU H 1 40 THR H . . 5.270 4.207 3.876 4.648 . 0 0 "[ . 1 . 2]" 1
541 1 40 THR H 1 42 LEU H . . 4.890 3.843 3.468 4.264 . 0 0 "[ . 1 . 2]" 1
542 1 40 THR H 1 41 TYR H . . 3.300 2.239 1.907 2.735 . 0 0 "[ . 1 . 2]" 1
543 1 37 PHE HA 1 40 THR H . . 4.070 3.728 3.364 3.987 . 0 0 "[ . 1 . 2]" 1
544 1 40 THR H 1 40 THR HB . . 3.190 2.556 2.449 2.694 . 0 0 "[ . 1 . 2]" 1
545 1 40 THR H 1 41 TYR QB . . 4.600 4.001 3.735 4.423 . 0 0 "[ . 1 . 2]" 1
546 1 39 ALA MB 1 40 THR H . . 3.220 2.885 2.312 3.256 0.036 5 0 "[ . 1 . 2]" 1
547 1 40 THR H 1 40 THR MG . . 3.920 3.805 3.760 3.870 . 0 0 "[ . 1 . 2]" 1
548 1 37 PHE H 1 38 GLU H . . 3.320 2.482 2.317 2.639 . 0 0 "[ . 1 . 2]" 1
549 1 36 GLY H 1 37 PHE H . . 3.100 1.902 1.842 2.008 . 0 0 "[ . 1 . 2]" 1
550 1 37 PHE H 1 37 PHE QD . . 3.520 2.863 2.087 3.465 . 0 0 "[ . 1 . 2]" 1
551 1 31 TYR QD 1 37 PHE H . . 3.890 3.614 3.301 3.846 . 0 0 "[ . 1 . 2]" 1
552 1 37 PHE H 1 37 PHE HB3 . . 3.900 3.608 3.533 3.745 . 0 0 "[ . 1 . 2]" 1
553 1 37 PHE H 1 37 PHE HB2 . . 3.410 2.384 2.253 2.625 . 0 0 "[ . 1 . 2]" 1
554 1 37 PHE H 1 38 GLU HA . . 5.500 4.840 4.578 5.182 . 0 0 "[ . 1 . 2]" 1
555 1 35 CYS HB3 1 37 PHE H . . 4.390 3.862 3.455 4.289 . 0 0 "[ . 1 . 2]" 1
556 1 35 CYS HB2 1 37 PHE H . . 4.190 3.130 2.905 3.558 . 0 0 "[ . 1 . 2]" 1
557 1 32 CYS HB3 1 37 PHE H . . 4.840 4.874 4.842 4.950 0.110 11 0 "[ . 1 . 2]" 1
558 1 48 VAL H 1 49 LYS H . . 3.290 2.598 2.333 2.871 . 0 0 "[ . 1 . 2]" 1
559 1 46 SER H 1 48 VAL H . . 4.440 3.959 3.708 4.391 . 0 0 "[ . 1 . 2]" 1
560 1 47 ALA H 1 48 VAL H . . 3.150 2.039 1.879 2.361 . 0 0 "[ . 1 . 2]" 1
561 1 45 ALA HA 1 48 VAL H . . 3.480 3.123 2.727 3.464 . 0 0 "[ . 1 . 2]" 1
562 1 48 VAL H 1 48 VAL HB . . 3.000 2.419 2.191 2.584 . 0 0 "[ . 1 . 2]" 1
563 1 48 VAL H 1 49 LYS QB . . 4.570 4.354 4.118 4.578 0.008 7 0 "[ . 1 . 2]" 1
564 1 47 ALA MB 1 48 VAL H . . 3.060 2.814 2.510 3.018 . 0 0 "[ . 1 . 2]" 1
565 1 48 VAL H 1 48 VAL QG . . 2.740 2.348 2.002 2.711 . 0 0 "[ . 1 . 2]" 1
566 1 82 ASN H 1 83 GLY H . . 3.250 2.805 2.196 3.130 . 0 0 "[ . 1 . 2]" 1
567 1 82 ASN H 1 82 ASN HD21 . . 4.730 4.483 1.882 4.749 0.019 9 0 "[ . 1 . 2]" 1
568 1 81 GLU H 1 82 ASN H . . 3.260 2.351 1.967 2.574 . 0 0 "[ . 1 . 2]" 1
569 1 82 ASN H 1 82 ASN HB2 . . 3.260 2.524 2.137 3.602 0.342 1 0 "[ . 1 . 2]" 1
570 1 80 LEU HA 1 82 ASN H . . 5.420 5.092 4.080 5.498 0.078 9 0 "[ . 1 . 2]" 1
571 1 103 THR H 1 104 LEU QD . . 4.630 4.436 3.533 4.643 0.013 13 0 "[ . 1 . 2]" 1
572 1 109 ASN QB 1 109 ASN HD22 . . 3.770 3.322 3.241 3.407 . 0 0 "[ . 1 . 2]" 1
573 1 98 ALA H 1 99 SER H . . 3.240 2.601 2.263 2.814 . 0 0 "[ . 1 . 2]" 1
574 1 99 SER H 1 99 SER QB . . 3.050 2.256 2.127 2.542 . 0 0 "[ . 1 . 2]" 1
575 1 95 ILE HA 1 99 SER H . . 4.110 3.349 3.040 3.507 . 0 0 "[ . 1 . 2]" 1
576 1 99 SER H 1 100 ASN HB3 . . 5.330 5.215 5.159 5.314 . 0 0 "[ . 1 . 2]" 1
577 1 98 ALA MB 1 99 SER H . . 3.080 2.581 2.383 2.856 . 0 0 "[ . 1 . 2]" 1
578 1 71 ILE QG 1 99 SER H . . 5.470 5.259 4.856 5.473 0.003 9 0 "[ . 1 . 2]" 1
579 1 99 SER H 1 104 LEU QD . . 5.500 4.666 4.337 5.326 . 0 0 "[ . 1 . 2]" 1
580 1 97 ARG H 1 99 SER H . . 4.370 4.043 3.550 4.315 . 0 0 "[ . 1 . 2]" 1
581 1 99 SER H 1 100 ASN H . . 3.210 2.518 2.454 2.535 . 0 0 "[ . 1 . 2]" 1
582 1 99 SER H 1 100 ASN HA . . 5.120 5.033 4.979 5.081 . 0 0 "[ . 1 . 2]" 1
583 1 96 ARG HA 1 99 SER H . . 4.420 4.100 3.827 4.335 . 0 0 "[ . 1 . 2]" 1
584 1 99 SER H 1 100 ASN HB2 . . 4.580 4.423 4.311 4.476 . 0 0 "[ . 1 . 2]" 1
585 1 25 VAL HB 1 99 SER H . . 5.500 5.469 5.030 5.533 0.033 7 0 "[ . 1 . 2]" 1
586 1 25 VAL QG 1 99 SER H . . 3.460 2.663 2.400 2.748 . 0 0 "[ . 1 . 2]" 1
587 1 95 ILE MG 1 99 SER H . . 5.100 4.980 4.700 5.107 0.007 9 0 "[ . 1 . 2]" 1
588 1 22 GLY H 1 23 SER H . . 3.320 2.657 2.558 2.758 . 0 0 "[ . 1 . 2]" 1
589 1 21 PRO HA 1 23 SER H . . 3.930 3.732 3.499 3.952 0.022 8 0 "[ . 1 . 2]" 1
590 1 84 GLY HA3 1 85 PHE H . . 3.300 2.638 2.177 3.457 0.157 10 0 "[ . 1 . 2]" 1
591 1 23 SER H 1 23 SER QB . . 2.850 2.421 2.177 2.665 . 0 0 "[ . 1 . 2]" 1
592 1 21 PRO HB3 1 23 SER H . . 5.500 5.490 5.441 5.527 0.027 19 0 "[ . 1 . 2]" 1
593 1 23 SER H 1 52 TYR QD . . 5.280 5.059 4.042 5.354 0.074 10 0 "[ . 1 . 2]" 1
594 1 23 SER H 1 55 ILE MG . . 3.710 3.643 3.468 3.753 0.043 12 0 "[ . 1 . 2]" 1
595 1 21 PRO HB2 1 23 SER H . . 5.110 4.932 4.837 5.032 . 0 0 "[ . 1 . 2]" 1
596 1 84 GLY HA2 1 85 PHE H . . 3.300 2.706 2.141 3.217 . 0 0 "[ . 1 . 2]" 1
597 1 85 PHE H 1 85 PHE HB3 . . 4.170 3.453 2.208 4.093 . 0 0 "[ . 1 . 2]" 1
598 1 85 PHE H 1 85 PHE HB2 . . 4.170 3.397 2.796 3.795 . 0 0 "[ . 1 . 2]" 1
599 1 85 PHE H 1 85 PHE QD . . 3.830 3.212 1.914 4.057 0.227 10 0 "[ . 1 . 2]" 1
600 1 49 LYS QE 1 51 GLN H . . 5.500 5.197 4.506 5.535 0.035 19 0 "[ . 1 . 2]" 1
601 1 48 VAL QG 1 51 GLN H . . 4.130 3.975 3.696 4.154 0.024 2 0 "[ . 1 . 2]" 1
602 1 50 GLU H 1 51 GLN H . . 3.030 2.467 2.283 2.649 . 0 0 "[ . 1 . 2]" 1
603 1 49 LYS HA 1 51 GLN H . . 3.820 3.639 3.478 3.895 0.075 17 0 "[ . 1 . 2]" 1
604 1 48 VAL HA 1 51 GLN H . . 3.930 3.592 3.382 3.779 . 0 0 "[ . 1 . 2]" 1
605 1 51 GLN H 1 52 TYR QB . . 5.440 5.104 4.032 5.573 0.133 17 0 "[ . 1 . 2]" 1
606 1 49 LYS QB 1 51 GLN H . . 4.780 4.554 4.425 4.698 . 0 0 "[ . 1 . 2]" 1
607 1 51 GLN H 1 51 GLN QB . . 2.770 2.408 2.182 2.642 . 0 0 "[ . 1 . 2]" 1
608 1 47 ALA MB 1 51 GLN H . . 5.500 5.443 5.072 5.691 0.191 15 0 "[ . 1 . 2]" 1
609 1 49 LYS QG 1 51 GLN H . . 5.500 5.056 4.716 5.546 0.046 7 0 "[ . 1 . 2]" 1
610 1 51 GLN H 1 92 ILE MD . . 5.090 4.674 4.027 5.149 0.059 16 0 "[ . 1 . 2]" 1
611 1 51 GLN H 1 52 TYR HA . . 5.250 4.933 4.635 5.284 0.034 7 0 "[ . 1 . 2]" 1
612 1 24 GLY H 1 56 GLU H . . 5.320 5.046 4.877 5.214 . 0 0 "[ . 1 . 2]" 1
613 1 23 SER HA 1 24 GLY H . . 2.690 2.195 2.142 2.289 . 0 0 "[ . 1 . 2]" 1
614 1 23 SER QB 1 24 GLY H . . 3.580 3.131 2.689 3.585 0.005 12 0 "[ . 1 . 2]" 1
615 1 24 GLY H 1 25 VAL HB . . 4.790 4.420 4.145 4.643 . 0 0 "[ . 1 . 2]" 1
616 1 24 GLY H 1 55 ILE MG . . 5.030 2.505 1.899 3.370 . 0 0 "[ . 1 . 2]" 1
617 1 24 GLY H 1 25 VAL QG . . 4.180 3.552 3.261 3.891 . 0 0 "[ . 1 . 2]" 1
618 1 24 GLY H 1 55 ILE HB . . 5.500 4.182 3.804 4.803 . 0 0 "[ . 1 . 2]" 1
619 1 24 GLY H 1 95 ILE HB . . 5.500 5.534 5.508 5.569 0.069 5 0 "[ . 1 . 2]" 1
620 1 58 GLU H 1 59 SER H . . 4.800 4.430 4.385 4.518 . 0 0 "[ . 1 . 2]" 1
621 1 58 GLU HA 1 59 SER H . . 2.470 2.501 2.386 2.667 0.197 6 0 "[ . 1 . 2]" 1
622 1 59 SER H 1 59 SER HB3 . . 3.960 3.031 2.257 3.606 . 0 0 "[ . 1 . 2]" 1
623 1 59 SER H 1 59 SER HB2 . . 3.960 3.657 3.418 3.900 . 0 0 "[ . 1 . 2]" 1
624 1 58 GLU HB3 1 59 SER H . . 3.040 2.232 1.947 2.483 . 0 0 "[ . 1 . 2]" 1
625 1 59 SER H 1 60 ARG HA . . 5.140 5.077 4.687 5.232 0.092 14 0 "[ . 1 . 2]" 1
626 1 28 VAL MG1 1 59 SER H . . 5.020 4.661 3.836 5.038 0.018 2 0 "[ . 1 . 2]" 1
627 1 62 GLY HA2 1 64 THR H . . 5.500 5.518 5.443 5.628 0.128 11 0 "[ . 1 . 2]" 1
628 1 64 THR H 1 65 GLY H . . 4.420 3.832 3.662 4.175 . 0 0 "[ . 1 . 2]" 1
629 1 63 GLY HA3 1 64 THR H . . 3.040 2.512 2.421 2.668 . 0 0 "[ . 1 . 2]" 1
630 1 64 THR H 1 80 LEU QD . . 5.450 4.869 4.197 5.525 0.075 18 0 "[ . 1 . 2]" 1
631 1 32 CYS HA 1 64 THR H . . 5.500 4.995 4.806 5.225 . 0 0 "[ . 1 . 2]" 1
632 1 64 THR H 1 65 GLY HA3 . . 5.500 5.163 5.052 5.275 . 0 0 "[ . 1 . 2]" 1
633 1 63 GLY H 1 64 THR H . . 3.990 2.893 2.196 3.284 . 0 0 "[ . 1 . 2]" 1
634 1 62 GLY HA3 1 64 THR H . . 4.760 4.366 4.286 4.501 . 0 0 "[ . 1 . 2]" 1
635 1 64 THR H 1 64 THR HA . . 2.870 2.830 2.802 2.873 0.003 4 0 "[ . 1 . 2]" 1
636 1 64 THR H 1 66 ALA MB . . 5.240 2.962 2.678 3.281 . 0 0 "[ . 1 . 2]" 1
637 1 37 PHE QE 1 65 GLY H . . 4.320 3.693 2.834 4.311 . 0 0 "[ . 1 . 2]" 1
638 1 65 GLY H 1 66 ALA HA . . 5.500 5.448 5.322 5.537 0.037 17 0 "[ . 1 . 2]" 1
639 1 64 THR HA 1 65 GLY H . . 2.580 2.166 2.146 2.227 . 0 0 "[ . 1 . 2]" 1
640 1 32 CYS HB3 1 65 GLY H . . 3.960 2.574 2.151 2.866 . 0 0 "[ . 1 . 2]" 1
641 1 35 CYS HB3 1 65 GLY H . . 5.290 4.428 3.812 4.967 . 0 0 "[ . 1 . 2]" 1
642 1 35 CYS HB2 1 65 GLY H . . 5.370 4.334 3.809 4.701 . 0 0 "[ . 1 . 2]" 1
643 1 65 GLY H 1 80 LEU QD . . 5.500 5.283 5.076 5.536 0.036 9 0 "[ . 1 . 2]" 1
644 1 100 ASN HB2 1 100 ASN HD22 . . 3.970 3.594 3.436 3.916 . 0 0 "[ . 1 . 2]" 1
645 1 100 ASN HB3 1 100 ASN HD22 . . 4.090 3.786 3.436 4.092 0.002 19 0 "[ . 1 . 2]" 1
646 1 51 GLN HE21 1 92 ILE MD . . 4.340 2.288 1.878 2.966 . 0 0 "[ . 1 . 2]" 1
647 1 51 GLN HA 1 51 GLN HE22 . . 4.770 4.291 3.684 4.919 0.149 16 0 "[ . 1 . 2]" 1
648 1 51 GLN HE22 1 92 ILE MG . . 5.320 5.138 4.058 5.768 0.448 6 0 "[ . 1 . 2]" 1
649 1 21 PRO HB2 1 22 GLY H . . 3.940 3.289 2.927 3.719 . 0 0 "[ . 1 . 2]" 1
650 1 19 VAL QG 1 22 GLY H . . 5.500 4.965 4.844 5.112 . 0 0 "[ . 1 . 2]" 1
651 1 22 GLY H 1 55 ILE MG . . 5.500 4.843 4.144 5.286 . 0 0 "[ . 1 . 2]" 1
652 1 20 GLU HA 1 22 GLY H . . 4.580 3.469 3.108 3.834 . 0 0 "[ . 1 . 2]" 1
653 1 22 GLY H 1 95 ILE MD . . 4.300 3.769 3.441 4.142 . 0 0 "[ . 1 . 2]" 1
654 1 46 SER H 1 47 ALA H . . 3.110 2.540 2.244 2.821 . 0 0 "[ . 1 . 2]" 1
655 1 46 SER H 1 46 SER QB . . 2.620 2.286 2.052 2.661 0.041 11 0 "[ . 1 . 2]" 1
656 1 46 SER H 1 48 VAL HB . . 5.500 5.202 4.726 5.521 0.021 17 0 "[ . 1 . 2]" 1
657 1 42 LEU HG 1 46 SER H . . 5.500 5.346 4.739 5.585 0.085 12 0 "[ . 1 . 2]" 1
658 1 46 SER H 1 49 LYS QB . . 5.500 5.237 4.816 5.519 0.019 20 0 "[ . 1 . 2]" 1
659 1 46 SER H 1 47 ALA MB . . 4.530 4.213 3.853 4.485 . 0 0 "[ . 1 . 2]" 1
660 1 45 ALA MB 1 46 SER H . . 3.020 2.874 2.548 3.085 0.065 10 0 "[ . 1 . 2]" 1
661 1 61 LEU QB 1 62 GLY H . . 3.280 2.964 2.431 3.285 0.005 7 0 "[ . 1 . 2]" 1
662 1 61 LEU HA 1 62 GLY H . . 2.590 2.303 2.211 2.458 . 0 0 "[ . 1 . 2]" 1
663 1 61 LEU MD2 1 62 GLY H . . 4.340 3.821 2.444 4.328 . 0 0 "[ . 1 . 2]" 1
664 1 46 SER H 1 47 ALA HA . . 5.500 5.182 4.909 5.416 . 0 0 "[ . 1 . 2]" 1
665 1 42 LEU HA 1 46 SER H . . 4.450 3.988 2.756 4.403 . 0 0 "[ . 1 . 2]" 1
666 1 74 GLN QB 1 74 GLN HE22 . . 4.510 3.670 3.269 4.325 . 0 0 "[ . 1 . 2]" 1
667 1 33 GLU H 1 62 GLY H . . 4.410 4.004 3.600 4.483 0.073 11 0 "[ . 1 . 2]" 1
668 1 61 LEU MD1 1 62 GLY H . . 4.340 3.142 2.440 4.394 0.054 9 0 "[ . 1 . 2]" 1
669 1 33 GLU QB 1 35 CYS H . . 4.960 4.484 4.412 4.834 . 0 0 "[ . 1 . 2]" 1
670 1 35 CYS H 1 36 GLY H . . 3.380 1.950 1.870 2.021 . 0 0 "[ . 1 . 2]" 1
671 1 31 TYR QE 1 35 CYS H . . 5.300 5.195 4.955 5.318 0.018 2 0 "[ . 1 . 2]" 1
672 1 34 PRO HA 1 35 CYS H . . 3.540 2.660 2.628 2.717 . 0 0 "[ . 1 . 2]" 1
673 1 35 CYS H 1 35 CYS HB3 . . 3.950 3.830 3.792 3.842 . 0 0 "[ . 1 . 2]" 1
674 1 35 CYS H 1 35 CYS HB2 . . 3.350 2.782 2.726 2.796 . 0 0 "[ . 1 . 2]" 1
675 1 35 CYS H 1 37 PHE H . . 4.770 3.673 3.540 3.830 . 0 0 "[ . 1 . 2]" 1
676 1 81 GLU H 1 83 GLY H . . 5.140 3.799 3.431 4.267 . 0 0 "[ . 1 . 2]" 1
677 1 82 ASN HD22 1 83 GLY H . . 5.500 4.877 3.677 5.510 0.010 10 0 "[ . 1 . 2]" 1
678 1 79 LYS HA 1 83 GLY H . . 3.440 3.141 2.588 3.631 0.191 1 0 "[ . 1 . 2]" 1
679 1 80 LEU HA 1 83 GLY H . . 5.190 4.483 4.196 5.183 . 0 0 "[ . 1 . 2]" 1
680 1 82 ASN HB3 1 83 GLY H . . 3.890 2.538 1.952 3.817 . 0 0 "[ . 1 . 2]" 1
681 1 80 LEU QD 1 83 GLY H . . 5.500 5.362 4.869 5.597 0.097 7 0 "[ . 1 . 2]" 1
682 1 71 ILE HB 1 72 ASN HD21 . . 5.500 4.358 4.027 5.507 0.007 6 0 "[ . 1 . 2]" 1
683 1 26 ARG H 1 72 ASN HD21 . . 4.670 4.187 2.759 4.684 0.014 12 0 "[ . 1 . 2]" 1
684 1 72 ASN HA 1 72 ASN HD21 . . 3.730 3.011 2.102 3.396 . 0 0 "[ . 1 . 2]" 1
685 1 71 ILE QG 1 72 ASN HD21 . . 4.710 2.177 1.918 2.896 . 0 0 "[ . 1 . 2]" 1
686 1 25 VAL QG 1 72 ASN HD21 . . 3.800 2.621 1.903 2.969 . 0 0 "[ . 1 . 2]" 1
687 1 82 ASN HD21 1 84 GLY H . . 5.500 3.065 1.933 5.459 . 0 0 "[ . 1 . 2]" 1
688 1 83 GLY H 1 84 GLY H . . 3.840 2.106 1.850 2.653 . 0 0 "[ . 1 . 2]" 1
689 1 81 GLU H 1 84 GLY H . . 5.500 5.409 4.913 5.532 0.032 18 0 "[ . 1 . 2]" 1
690 1 79 LYS HA 1 84 GLY H . . 3.610 3.002 1.944 3.631 0.021 1 0 "[ . 1 . 2]" 1
691 1 80 LEU HA 1 84 GLY H . . 5.500 5.487 5.276 5.599 0.099 9 0 "[ . 1 . 2]" 1
692 1 82 ASN H 1 84 GLY H . . 5.040 4.486 3.849 4.899 . 0 0 "[ . 1 . 2]" 1
693 1 84 GLY H 1 85 PHE H . . 5.340 4.158 2.005 4.644 . 0 0 "[ . 1 . 2]" 1
694 1 82 ASN HA 1 84 GLY H . . 5.330 5.002 4.578 5.329 . 0 0 "[ . 1 . 2]" 1
695 1 82 ASN HB3 1 84 GLY H . . 4.110 2.996 2.456 4.417 0.307 1 0 "[ . 1 . 2]" 1
696 1 26 ARG H 1 72 ASN HD22 . . 4.300 3.939 3.636 4.297 . 0 0 "[ . 1 . 2]" 1
697 1 71 ILE QG 1 72 ASN HD22 . . 5.380 2.612 2.074 3.142 . 0 0 "[ . 1 . 2]" 1
698 1 72 ASN H 1 72 ASN HD22 . . 5.450 4.822 4.332 5.017 . 0 0 "[ . 1 . 2]" 1
699 1 72 ASN HA 1 72 ASN HD22 . . 3.890 3.801 3.648 3.947 0.057 5 0 "[ . 1 . 2]" 1
700 1 25 VAL HB 1 72 ASN HD22 . . 5.360 4.825 4.473 5.177 . 0 0 "[ . 1 . 2]" 1
701 1 25 VAL QG 1 72 ASN HD22 . . 3.500 2.045 1.843 2.319 . 0 0 "[ . 1 . 2]" 1
702 1 100 ASN HB2 1 101 GLY H . . 3.940 3.807 3.710 3.862 . 0 0 "[ . 1 . 2]" 1
703 1 98 ALA MB 1 101 GLY H . . 4.930 4.771 4.545 4.849 . 0 0 "[ . 1 . 2]" 1
704 1 100 ASN HB3 1 101 GLY H . . 4.130 2.955 2.835 3.150 . 0 0 "[ . 1 . 2]" 1
705 1 99 SER H 1 101 GLY H . . 4.410 4.361 4.241 4.446 0.036 6 0 "[ . 1 . 2]" 1
706 1 62 GLY H 1 63 GLY H . . 4.240 2.252 1.939 2.673 . 0 0 "[ . 1 . 2]" 1
707 1 62 GLY HA3 1 63 GLY H . . 3.080 2.671 2.434 2.895 . 0 0 "[ . 1 . 2]" 1
708 1 32 CYS HA 1 63 GLY H . . 4.160 3.317 2.878 4.181 0.021 11 0 "[ . 1 . 2]" 1
709 1 63 GLY H 1 64 THR HA . . 4.650 4.145 4.048 4.320 . 0 0 "[ . 1 . 2]" 1
710 1 30 GLU QG 1 63 GLY H . . 4.810 4.746 4.431 4.849 0.039 18 0 "[ . 1 . 2]" 1
711 1 61 LEU QB 1 63 GLY H . . 4.500 4.266 3.843 4.535 0.035 13 0 "[ . 1 . 2]" 1
712 1 63 GLY H 1 66 ALA MB . . 3.770 3.728 3.227 3.857 0.087 8 0 "[ . 1 . 2]" 1
713 1 54 GLY H 1 55 ILE MG . . 4.070 3.658 3.538 3.938 . 0 0 "[ . 1 . 2]" 1
714 1 54 GLY H 1 55 ILE H . . 3.390 2.369 2.286 2.423 . 0 0 "[ . 1 . 2]" 1
715 1 52 TYR HA 1 54 GLY H . . 4.050 3.122 3.089 3.142 . 0 0 "[ . 1 . 2]" 1
716 1 52 TYR QB 1 54 GLY H . . 4.510 3.355 3.263 3.456 . 0 0 "[ . 1 . 2]" 1
717 1 23 SER QB 1 54 GLY H . . 4.340 3.989 3.474 4.362 0.022 16 0 "[ . 1 . 2]" 1
718 1 31 TYR QE 1 36 GLY H . . 5.460 4.620 4.309 4.862 . 0 0 "[ . 1 . 2]" 1
719 1 36 GLY H 1 37 PHE HB2 . . 5.100 3.991 3.810 4.203 . 0 0 "[ . 1 . 2]" 1
720 1 32 CYS HB3 1 36 GLY H . . 5.500 5.051 4.720 5.255 . 0 0 "[ . 1 . 2]" 1
721 1 54 GLY H 1 55 ILE QG . . 5.300 3.866 3.788 3.992 . 0 0 "[ . 1 . 2]" 1
722 1 36 GLY H 1 38 GLU H . . 4.500 3.519 3.116 3.947 . 0 0 "[ . 1 . 2]" 1
723 1 36 GLY H 1 37 PHE QD . . 4.970 3.732 3.043 4.483 . 0 0 "[ . 1 . 2]" 1
724 1 36 GLY H 1 37 PHE HA . . 5.210 4.632 4.584 4.690 . 0 0 "[ . 1 . 2]" 1
725 1 35 CYS HB3 1 36 GLY H . . 4.320 3.407 3.302 3.531 . 0 0 "[ . 1 . 2]" 1
726 1 33 GLU QB 1 36 GLY H . . 5.500 5.506 5.436 5.617 0.117 5 0 "[ . 1 . 2]" 1
727 1 35 CYS HB2 1 36 GLY H . . 4.200 2.624 2.542 2.689 . 0 0 "[ . 1 . 2]" 1
728 1 70 GLU HA 1 73 GLY H . . 4.980 4.007 3.850 4.176 . 0 0 "[ . 1 . 2]" 1
729 1 72 ASN H 1 73 GLY H . . 3.600 2.437 2.276 2.650 . 0 0 "[ . 1 . 2]" 1
730 1 26 ARG H 1 73 GLY H . . 5.500 5.543 5.512 5.588 0.088 9 0 "[ . 1 . 2]" 1
731 1 71 ILE HA 1 73 GLY H . . 4.640 4.382 4.276 4.550 . 0 0 "[ . 1 . 2]" 1
732 1 72 ASN HA 1 73 GLY H . . 3.080 2.846 2.726 2.895 . 0 0 "[ . 1 . 2]" 1
733 1 72 ASN HB3 1 73 GLY H . . 4.820 4.365 4.299 4.556 . 0 0 "[ . 1 . 2]" 1
734 1 72 ASN HB2 1 73 GLY H . . 4.820 4.255 4.154 4.377 . 0 0 "[ . 1 . 2]" 1
735 1 70 GLU QG 1 73 GLY H . . 4.720 4.428 3.842 4.662 . 0 0 "[ . 1 . 2]" 1
736 1 28 VAL HB 1 73 GLY H . . 4.390 3.541 3.264 4.067 . 0 0 "[ . 1 . 2]" 1
737 1 28 VAL MG2 1 73 GLY H . . 5.500 3.362 3.091 3.976 . 0 0 "[ . 1 . 2]" 1
738 1 28 VAL MG1 1 73 GLY H . . 5.350 4.908 4.628 5.358 0.008 9 0 "[ . 1 . 2]" 1
739 1 71 ILE MG 1 73 GLY H . . 5.500 4.283 4.165 4.498 . 0 0 "[ . 1 . 2]" 1
740 1 72 ASN HD21 1 73 GLY H . . 5.480 5.012 4.626 5.270 . 0 0 "[ . 1 . 2]" 1
741 1 103 THR HB 1 104 LEU HG . . 5.500 5.364 4.814 5.511 0.011 13 0 "[ . 1 . 2]" 1
742 1 103 THR HB 1 104 LEU H . . 3.490 3.404 3.077 3.676 0.186 6 0 "[ . 1 . 2]" 1
743 1 103 THR H 1 103 THR HB . . 3.160 3.001 2.671 3.361 0.201 16 0 "[ . 1 . 2]" 1
744 1 64 THR H 1 64 THR HB . . 3.800 3.740 3.507 3.803 0.003 20 0 "[ . 1 . 2]" 1
745 1 64 THR HB 1 65 GLY H . . 3.860 3.806 3.475 4.126 0.266 19 0 "[ . 1 . 2]" 1
746 1 37 PHE HA 1 40 THR HB . . 4.790 4.063 3.326 4.636 . 0 0 "[ . 1 . 2]" 1
747 1 31 TYR QE 1 59 SER HB3 . . 4.100 2.927 2.063 3.963 . 0 0 "[ . 1 . 2]" 1
748 1 31 TYR QE 1 59 SER HB2 . . 4.100 2.645 2.006 3.767 . 0 0 "[ . 1 . 2]" 1
749 1 40 THR HA 1 40 THR MG . . 3.370 2.304 2.212 2.366 . 0 0 "[ . 1 . 2]" 1
750 1 39 ALA MB 1 40 THR HA . . 5.300 3.934 3.654 4.117 . 0 0 "[ . 1 . 2]" 1
751 1 47 ALA MB 1 48 VAL HA . . 5.500 3.830 3.657 3.936 . 0 0 "[ . 1 . 2]" 1
752 1 110 SER HB3 1 111 ARG H . . 4.000 3.015 1.946 4.017 0.017 5 0 "[ . 1 . 2]" 1
753 1 39 ALA H 1 40 THR HA . . 5.500 5.205 5.039 5.483 . 0 0 "[ . 1 . 2]" 1
754 1 48 VAL HA 1 48 VAL QG . . 2.950 2.107 1.991 2.226 . 0 0 "[ . 1 . 2]" 1
755 1 95 ILE HA 1 96 ARG HA . . 5.500 4.806 4.769 4.875 . 0 0 "[ . 1 . 2]" 1
756 1 25 VAL QG 1 95 ILE HA . . 3.490 1.928 1.865 2.014 . 0 0 "[ . 1 . 2]" 1
757 1 53 PRO HA 1 54 GLY H . . 3.410 3.383 3.363 3.400 . 0 0 "[ . 1 . 2]" 1
758 1 52 TYR QE 1 92 ILE HA . . 4.470 2.799 1.991 4.090 . 0 0 "[ . 1 . 2]" 1
759 1 91 LEU HB3 1 92 ILE HA . . 4.510 4.356 4.138 4.516 0.006 13 0 "[ . 1 . 2]" 1
760 1 92 ILE HA 1 95 ILE H . . 5.030 3.898 3.440 4.182 . 0 0 "[ . 1 . 2]" 1
761 1 75 LEU QD 1 78 SER HB3 . . 4.200 2.943 1.907 3.585 . 0 0 "[ . 1 . 2]" 1
762 1 75 LEU QD 1 78 SER HB2 . . 4.200 3.171 1.854 3.841 . 0 0 "[ . 1 . 2]" 1
763 1 20 GLU HA 1 21 PRO HA . . 4.850 4.658 4.638 4.688 . 0 0 "[ . 1 . 2]" 1
764 1 11 SER QB 1 12 VAL QG . . 3.640 3.495 2.953 3.699 0.059 16 0 "[ . 1 . 2]" 1
765 1 7 PRO HA 1 8 GLY H . . 3.240 2.464 2.155 3.380 0.140 15 0 "[ . 1 . 2]" 1
766 1 103 THR HA 1 104 LEU HG . . 4.100 3.502 3.166 3.909 . 0 0 "[ . 1 . 2]" 1
767 1 102 GLU HA 1 103 THR HA . . 4.440 4.331 4.294 4.421 . 0 0 "[ . 1 . 2]" 1
768 1 23 SER QB 1 55 ILE MG . . 3.640 3.443 3.180 3.669 0.029 2 0 "[ . 1 . 2]" 1
769 1 98 ALA MB 1 99 SER QB . . 4.470 3.759 3.581 4.128 . 0 0 "[ . 1 . 2]" 1
770 1 95 ILE HA 1 99 SER QB . . 5.500 4.035 3.605 4.452 . 0 0 "[ . 1 . 2]" 1
771 1 25 VAL QG 1 99 SER QB . . 3.940 2.057 1.874 3.009 . 0 0 "[ . 1 . 2]" 1
772 1 46 SER QB 1 47 ALA MB . . 4.880 3.849 3.572 4.322 . 0 0 "[ . 1 . 2]" 1
773 1 95 ILE MD 1 99 SER QB . . 3.660 3.408 3.102 3.683 0.023 15 0 "[ . 1 . 2]" 1
774 1 107 ILE MG 1 108 THR HA . . 4.500 4.060 3.628 4.327 . 0 0 "[ . 1 . 2]" 1
775 1 25 VAL HA 1 25 VAL QG . . 3.010 2.041 2.015 2.066 . 0 0 "[ . 1 . 2]" 1
776 1 25 VAL HA 1 26 ARG HB3 . . 4.710 4.502 4.384 4.781 0.071 17 0 "[ . 1 . 2]" 1
777 1 10 THR HA 1 10 THR HB . . 3.010 2.479 2.379 2.658 . 0 0 "[ . 1 . 2]" 1
778 1 107 ILE HA 1 108 THR HB . . 4.540 4.510 4.430 4.554 0.014 7 0 "[ . 1 . 2]" 1
779 1 33 GLU HA 1 33 GLU QG . . 2.760 2.252 2.040 2.753 . 0 0 "[ . 1 . 2]" 1
780 1 76 VAL HA 1 76 VAL QG . . 2.870 2.090 2.017 2.272 . 0 0 "[ . 1 . 2]" 1
781 1 108 THR HA 1 108 THR MG . . 3.370 3.197 3.189 3.206 . 0 0 "[ . 1 . 2]" 1
782 1 41 TYR HA 1 41 TYR QD . . 3.640 2.521 2.240 2.776 . 0 0 "[ . 1 . 2]" 1
783 1 19 VAL HA 1 20 GLU QB . . 4.670 4.465 4.356 4.638 . 0 0 "[ . 1 . 2]" 1
784 1 12 VAL HA 1 12 VAL QG . . 3.300 2.182 2.037 2.330 . 0 0 "[ . 1 . 2]" 1
785 1 25 VAL QG 1 99 SER HA . . 3.250 2.867 2.373 3.252 0.002 8 0 "[ . 1 . 2]" 1
786 1 46 SER HA 1 49 LYS QB . . 3.950 3.703 3.232 3.996 0.046 3 0 "[ . 1 . 2]" 1
787 1 28 VAL HA 1 58 GLU HB2 . . 4.240 3.972 3.319 4.246 0.006 15 0 "[ . 1 . 2]" 1
788 1 27 ILE MG 1 71 ILE HA . . 3.770 2.616 1.986 2.872 . 0 0 "[ . 1 . 2]" 1
789 1 29 VAL HA 1 30 GLU HB2 . . 4.670 4.401 4.214 4.531 . 0 0 "[ . 1 . 2]" 1
790 1 98 ALA MB 1 99 SER HA . . 3.860 3.762 3.695 3.824 . 0 0 "[ . 1 . 2]" 1
791 1 87 TYR HA 1 88 GLU HA . . 5.500 4.324 4.294 4.344 . 0 0 "[ . 1 . 2]" 1
792 1 38 GLU HA 1 42 LEU H . . 4.840 4.021 3.521 4.493 . 0 0 "[ . 1 . 2]" 1
793 1 38 GLU HA 1 42 LEU QD . . 5.500 4.210 3.410 5.094 . 0 0 "[ . 1 . 2]" 1
794 1 38 GLU HA 1 41 TYR QD . . 4.070 3.552 3.079 3.837 . 0 0 "[ . 1 . 2]" 1
795 1 31 TYR QE 1 38 GLU HA . . 4.260 3.113 2.662 3.584 . 0 0 "[ . 1 . 2]" 1
796 1 38 GLU HA 1 41 TYR HA . . 5.500 5.168 4.939 5.322 . 0 0 "[ . 1 . 2]" 1
797 1 38 GLU HA 1 41 TYR QB . . 3.860 2.413 2.128 2.616 . 0 0 "[ . 1 . 2]" 1
798 1 37 PHE HB3 1 38 GLU HA . . 5.500 4.619 4.302 4.882 . 0 0 "[ . 1 . 2]" 1
799 1 38 GLU HA 1 39 ALA HA . . 5.500 4.782 4.686 4.889 . 0 0 "[ . 1 . 2]" 1
800 1 28 VAL HA 1 57 ILE HB . . 5.500 5.570 5.530 5.613 0.113 9 0 "[ . 1 . 2]" 1
801 1 71 ILE HA 1 72 ASN HA . . 4.590 4.513 4.503 4.534 . 0 0 "[ . 1 . 2]" 1
802 1 29 VAL HA 1 30 GLU HB3 . . 5.020 4.894 4.791 5.022 0.002 17 0 "[ . 1 . 2]" 1
803 1 23 SER HA 1 52 TYR QB . . 4.680 3.768 3.399 4.647 . 0 0 "[ . 1 . 2]" 1
804 1 97 ARG HA 1 101 GLY H . . 5.500 5.162 4.727 5.451 . 0 0 "[ . 1 . 2]" 1
805 1 97 ARG HA 1 102 GLU H . . 5.500 5.114 4.544 5.563 0.063 16 0 "[ . 1 . 2]" 1
806 1 97 ARG HA 1 100 ASN HB2 . . 4.200 2.498 2.219 3.187 . 0 0 "[ . 1 . 2]" 1
807 1 96 ARG HA 1 100 ASN H . . 5.270 4.849 4.475 5.303 0.033 16 0 "[ . 1 . 2]" 1
808 1 27 ILE H 1 57 ILE HA . . 4.930 3.218 3.005 3.344 . 0 0 "[ . 1 . 2]" 1
809 1 56 GLU HA 1 57 ILE HA . . 5.340 4.402 4.390 4.410 . 0 0 "[ . 1 . 2]" 1
810 1 27 ILE HA 1 71 ILE MD . . 5.500 3.448 3.090 3.824 . 0 0 "[ . 1 . 2]" 1
811 1 27 ILE HA 1 57 ILE HB . . 5.500 5.213 5.099 5.327 . 0 0 "[ . 1 . 2]" 1
812 1 27 ILE HA 1 71 ILE HB . . 5.500 5.060 4.599 5.220 . 0 0 "[ . 1 . 2]" 1
813 1 89 LYS HA 1 92 ILE MD . . 4.690 4.683 4.494 4.778 0.088 12 0 "[ . 1 . 2]" 1
814 1 93 GLU HA 1 96 ARG H . . 3.870 3.393 3.103 3.594 . 0 0 "[ . 1 . 2]" 1
815 1 87 TYR HA 1 87 TYR QD . . 3.780 2.728 2.450 3.081 . 0 0 "[ . 1 . 2]" 1
816 1 48 VAL QG 1 49 LYS HA . . 3.470 3.208 2.863 3.502 0.032 4 0 "[ . 1 . 2]" 1
817 1 80 LEU HA 1 80 LEU QD . . 3.280 2.254 1.933 3.375 0.095 19 0 "[ . 1 . 2]" 1
818 1 110 SER HA 1 111 ARG H . . 3.210 2.609 2.159 3.237 0.027 5 0 "[ . 1 . 2]" 1
819 1 80 LEU H 1 81 GLU HA . . 5.500 5.144 4.987 5.374 . 0 0 "[ . 1 . 2]" 1
820 1 81 GLU HA 1 83 GLY H . . 5.500 4.755 4.173 5.373 . 0 0 "[ . 1 . 2]" 1
821 1 81 GLU HA 1 81 GLU HG3 . . 3.930 3.739 3.372 3.919 . 0 0 "[ . 1 . 2]" 1
822 1 81 GLU HA 1 81 GLU HG2 . . 3.930 3.313 2.452 4.166 0.236 17 0 "[ . 1 . 2]" 1
823 1 44 LEU HA 1 44 LEU MD2 . . 4.060 3.886 3.377 4.075 0.015 14 0 "[ . 1 . 2]" 1
824 1 42 LEU HA 1 42 LEU QD . . 3.360 2.310 1.983 3.355 . 0 0 "[ . 1 . 2]" 1
825 1 106 LYS HA 1 107 ILE MD . . 4.500 3.602 2.604 4.447 . 0 0 "[ . 1 . 2]" 1
826 1 90 ASP HA 1 91 LEU H . . 3.560 3.407 3.305 3.510 . 0 0 "[ . 1 . 2]" 1
827 1 17 GLU HA 1 19 VAL QG . . 5.140 4.511 3.954 5.174 0.034 15 0 "[ . 1 . 2]" 1
828 1 115 VAL QG 1 117 LEU HA . . 5.490 4.441 3.653 5.521 0.031 13 0 "[ . 1 . 2]" 1
829 1 90 ASP HA 1 91 LEU HA . . 5.500 4.640 4.560 4.701 . 0 0 "[ . 1 . 2]" 1
830 1 18 GLU HA 1 19 VAL QG . . 3.770 3.718 3.523 3.865 0.095 15 0 "[ . 1 . 2]" 1
831 1 51 GLN HA 1 51 GLN HE21 . . 4.460 3.995 1.972 4.507 0.047 12 0 "[ . 1 . 2]" 1
832 1 51 GLN HA 1 51 GLN HG3 . . 3.990 3.376 2.144 3.852 . 0 0 "[ . 1 . 2]" 1
833 1 31 TYR QE 1 59 SER HA . . 5.330 3.633 3.141 5.087 . 0 0 "[ . 1 . 2]" 1
834 1 29 VAL HB 1 59 SER HA . . 4.450 3.645 3.185 4.512 0.062 18 0 "[ . 1 . 2]" 1
835 1 28 VAL MG1 1 59 SER HA . . 4.190 3.631 3.023 3.978 . 0 0 "[ . 1 . 2]" 1
836 1 59 SER HA 1 60 ARG H . . 2.780 2.240 2.139 2.410 . 0 0 "[ . 1 . 2]" 1
837 1 28 VAL HA 1 59 SER HA . . 4.450 4.246 3.738 4.501 0.051 19 0 "[ . 1 . 2]" 1
838 1 29 VAL MG2 1 59 SER HA . . 5.270 4.432 4.042 4.772 . 0 0 "[ . 1 . 2]" 1
839 1 29 VAL MG1 1 59 SER HA . . 5.270 4.265 1.897 4.854 . 0 0 "[ . 1 . 2]" 1
840 1 31 TYR QD 1 59 SER HA . . 5.450 4.492 4.027 5.424 . 0 0 "[ . 1 . 2]" 1
841 1 94 ALA HA 1 97 ARG QD . . 4.200 3.978 3.663 4.247 0.047 14 0 "[ . 1 . 2]" 1
842 1 71 ILE MG 1 94 ALA HA . . 5.140 4.810 4.275 5.122 . 0 0 "[ . 1 . 2]" 1
843 1 39 ALA HA 1 41 TYR H . . 5.150 4.198 3.757 4.669 . 0 0 "[ . 1 . 2]" 1
844 1 39 ALA HA 1 43 GLU H . . 5.500 4.409 3.984 5.038 . 0 0 "[ . 1 . 2]" 1
845 1 45 ALA HA 1 48 VAL QG . . 3.330 2.370 1.869 3.321 . 0 0 "[ . 1 . 2]" 1
846 1 45 ALA HA 1 48 VAL HB . . 3.710 2.626 1.989 3.689 . 0 0 "[ . 1 . 2]" 1
847 1 37 PHE HA 1 37 PHE QD . . 3.860 2.585 2.024 3.083 . 0 0 "[ . 1 . 2]" 1
848 1 78 SER HA 1 79 LYS H . . 3.240 2.264 2.140 2.386 . 0 0 "[ . 1 . 2]" 1
849 1 52 TYR HA 1 53 PRO HA . . 4.680 4.624 4.610 4.639 . 0 0 "[ . 1 . 2]" 1
850 1 95 ILE HA 1 98 ALA HA . . 5.050 4.957 4.627 5.089 0.039 6 0 "[ . 1 . 2]" 1
851 1 98 ALA HA 1 104 LEU QD . . 3.380 2.279 1.896 3.362 . 0 0 "[ . 1 . 2]" 1
852 1 71 ILE MG 1 98 ALA HA . . 5.020 4.839 4.572 5.053 0.033 6 0 "[ . 1 . 2]" 1
853 1 47 ALA HA 1 50 GLU HB3 . . 3.940 3.570 2.870 3.993 0.053 15 0 "[ . 1 . 2]" 1
854 1 94 ALA HA 1 97 ARG H . . 4.220 3.705 3.436 3.960 . 0 0 "[ . 1 . 2]" 1
855 1 94 ALA HA 1 98 ALA H . . 4.380 4.289 4.146 4.434 0.054 14 0 "[ . 1 . 2]" 1
856 1 44 LEU HB2 1 45 ALA HA . . 4.990 4.726 4.498 4.960 . 0 0 "[ . 1 . 2]" 1
857 1 31 TYR HA 1 37 PHE QD . . 5.270 5.090 4.440 5.287 0.017 15 0 "[ . 1 . 2]" 1
858 1 31 TYR HA 1 67 PHE QD . . 4.550 3.919 3.615 4.246 . 0 0 "[ . 1 . 2]" 1
859 1 31 TYR HA 1 67 PHE HA . . 3.860 2.763 2.437 3.009 . 0 0 "[ . 1 . 2]" 1
860 1 31 TYR HA 1 32 CYS HB2 . . 4.840 4.650 4.554 4.731 . 0 0 "[ . 1 . 2]" 1
861 1 26 ARG HA 1 55 ILE HA . . 5.050 4.982 4.764 5.101 0.051 20 0 "[ . 1 . 2]" 1
862 1 26 ARG HA 1 55 ILE MD . . 5.210 4.008 3.716 4.455 . 0 0 "[ . 1 . 2]" 1
863 1 57 ILE HA 1 58 GLU HA . . 4.700 4.425 4.395 4.457 . 0 0 "[ . 1 . 2]" 1
864 1 105 GLU HA 1 106 LYS H . . 2.740 2.303 2.141 2.623 . 0 0 "[ . 1 . 2]" 1
865 1 105 GLU HA 1 105 GLU QG . . 3.530 2.866 2.214 3.459 . 0 0 "[ . 1 . 2]" 1
866 1 59 SER HA 1 60 ARG HA . . 4.620 4.446 4.393 4.555 . 0 0 "[ . 1 . 2]" 1
867 1 98 ALA HA 1 101 GLY H . . 4.020 3.907 3.545 4.034 0.014 4 0 "[ . 1 . 2]" 1
868 1 66 ALA HA 1 68 GLU QG . . 4.860 4.665 4.329 4.866 0.006 12 0 "[ . 1 . 2]" 1
869 1 66 ALA HA 1 80 LEU QD . . 3.200 1.826 1.735 1.997 . 0 0 "[ . 1 . 2]" 1
870 1 67 PHE QD 1 68 GLU HA . . 5.030 4.973 4.821 5.057 0.027 17 0 "[ . 1 . 2]" 1
871 1 70 GLU HA 1 75 LEU HA . . 3.230 3.057 2.893 3.186 . 0 0 "[ . 1 . 2]" 1
872 1 70 GLU HA 1 76 VAL QG . . 3.780 2.986 2.631 3.527 . 0 0 "[ . 1 . 2]" 1
873 1 70 GLU HA 1 71 ILE HA . . 5.240 4.462 4.419 4.551 . 0 0 "[ . 1 . 2]" 1
874 1 74 GLN HA 1 74 GLN HG2 . . 3.720 2.640 2.127 3.463 . 0 0 "[ . 1 . 2]" 1
875 1 68 GLU HA 1 69 ILE HG13 . . 5.420 3.838 3.719 4.055 . 0 0 "[ . 1 . 2]" 1
876 1 30 GLU HB3 1 68 GLU HA . . 5.070 4.411 4.250 4.590 . 0 0 "[ . 1 . 2]" 1
877 1 68 GLU HA 1 69 ILE HB . . 5.500 4.645 4.608 4.808 . 0 0 "[ . 1 . 2]" 1
878 1 68 GLU HA 1 69 ILE MD . . 5.320 4.860 3.822 5.197 . 0 0 "[ . 1 . 2]" 1
879 1 68 GLU HA 1 80 LEU QD . . 5.500 4.774 3.626 5.522 0.022 2 0 "[ . 1 . 2]" 1
880 1 68 GLU HA 1 75 LEU QD . . 4.300 2.374 2.135 2.553 . 0 0 "[ . 1 . 2]" 1
881 1 30 GLU HA 1 61 LEU HA . . 4.920 4.558 3.119 4.888 . 0 0 "[ . 1 . 2]" 1
882 1 30 GLU HA 1 60 ARG H . . 3.560 3.078 2.872 3.370 . 0 0 "[ . 1 . 2]" 1
883 1 30 GLU HA 1 30 GLU QG . . 3.870 2.292 2.125 2.391 . 0 0 "[ . 1 . 2]" 1
884 1 108 THR MG 1 109 ASN HA . . 4.440 3.975 3.468 4.450 0.010 6 0 "[ . 1 . 2]" 1
885 1 32 CYS HA 1 66 ALA MB . . 4.980 4.802 4.574 5.011 0.031 6 0 "[ . 1 . 2]" 1
886 1 31 TYR HA 1 32 CYS HA . . 4.490 4.314 4.308 4.322 . 0 0 "[ . 1 . 2]" 1
887 1 99 SER QB 1 100 ASN HA . . 4.490 4.231 3.953 4.547 0.057 6 0 "[ . 1 . 2]" 1
888 1 37 PHE QD 1 65 GLY HA3 . . 5.500 5.301 4.955 5.559 0.059 7 0 "[ . 1 . 2]" 1
889 1 65 GLY HA3 1 80 LEU QD . . 4.350 4.001 3.751 4.247 . 0 0 "[ . 1 . 2]" 1
890 1 37 PHE QE 1 65 GLY HA3 . . 4.750 3.488 3.160 3.765 . 0 0 "[ . 1 . 2]" 1
891 1 65 GLY HA2 1 80 LEU QD . . 4.490 4.373 4.145 4.732 0.242 19 0 "[ . 1 . 2]" 1
892 1 35 CYS HB3 1 65 GLY HA2 . . 4.440 4.181 3.657 4.502 0.062 11 0 "[ . 1 . 2]" 1
893 1 22 GLY HA2 1 95 ILE MD . . 3.890 2.235 1.979 2.614 . 0 0 "[ . 1 . 2]" 1
894 1 8 GLY QA 1 10 THR H . . 4.880 4.575 3.021 4.881 0.001 9 0 "[ . 1 . 2]" 1
895 1 22 GLY HA3 1 95 ILE MD . . 3.890 1.950 1.881 2.318 . 0 0 "[ . 1 . 2]" 1
896 1 31 TYR HB3 1 67 PHE HA . . 5.220 2.818 2.355 3.402 . 0 0 "[ . 1 . 2]" 1
897 1 97 ARG H 1 97 ARG QD . . 4.290 3.372 2.185 4.342 0.052 17 0 "[ . 1 . 2]" 1
898 1 97 ARG HA 1 97 ARG QD . . 4.270 3.674 2.626 4.210 . 0 0 "[ . 1 . 2]" 1
899 1 31 TYR HB2 1 67 PHE QD . . 4.590 2.710 2.287 3.300 . 0 0 "[ . 1 . 2]" 1
900 1 31 TYR HB2 1 67 PHE HA . . 5.220 3.455 3.192 3.879 . 0 0 "[ . 1 . 2]" 1
901 1 30 GLU HB3 1 62 GLY HA3 . . 4.410 4.359 4.148 4.518 0.108 11 0 "[ . 1 . 2]" 1
902 1 31 TYR HB3 1 67 PHE QD . . 4.590 2.582 2.016 3.712 . 0 0 "[ . 1 . 2]" 1
903 1 26 ARG HB2 1 26 ARG QD . . 3.630 2.674 1.971 3.493 . 0 0 "[ . 1 . 2]" 1
904 1 26 ARG HA 1 26 ARG QD . . 4.430 3.528 2.060 4.137 . 0 0 "[ . 1 . 2]" 1
905 1 69 ILE MD 1 77 PHE HB3 . . 4.220 3.490 2.072 4.235 0.015 19 0 "[ . 1 . 2]" 1
906 1 69 ILE MD 1 77 PHE HB2 . . 4.220 3.326 2.309 3.733 . 0 0 "[ . 1 . 2]" 1
907 1 49 LYS QB 1 49 LYS QE . . 4.480 2.676 2.040 3.186 . 0 0 "[ . 1 . 2]" 1
908 1 48 VAL QG 1 49 LYS QE . . 3.990 3.460 2.426 4.014 0.024 16 0 "[ . 1 . 2]" 1
909 1 49 LYS H 1 49 LYS QE . . 5.500 4.033 2.893 4.514 . 0 0 "[ . 1 . 2]" 1
910 1 49 LYS QE 1 52 TYR H . . 5.500 4.645 3.729 5.178 . 0 0 "[ . 1 . 2]" 1
911 1 49 LYS HA 1 49 LYS QE . . 4.460 2.100 1.978 2.304 . 0 0 "[ . 1 . 2]" 1
912 1 89 LYS H 1 89 LYS QE . . 4.910 3.520 2.762 4.306 . 0 0 "[ . 1 . 2]" 1
913 1 87 TYR HB3 1 89 LYS QE . . 3.330 2.950 2.418 3.328 . 0 0 "[ . 1 . 2]" 1
914 1 44 LEU HB2 1 45 ALA H . . 4.420 4.062 3.832 4.336 . 0 0 "[ . 1 . 2]" 1
915 1 88 GLU HA 1 91 LEU HB3 . . 5.500 4.535 3.730 5.219 . 0 0 "[ . 1 . 2]" 1
916 1 86 PRO HA 1 90 ASP HB3 . . 4.900 4.215 3.475 4.705 . 0 0 "[ . 1 . 2]" 1
917 1 89 LYS HG2 1 90 ASP HB3 . . 4.860 4.372 3.868 4.754 . 0 0 "[ . 1 . 2]" 1
918 1 32 CYS HB3 1 37 PHE QD . . 4.720 2.701 2.123 3.852 . 0 0 "[ . 1 . 2]" 1
919 1 32 CYS HB3 1 35 CYS HB3 . . 4.880 3.624 3.398 3.734 . 0 0 "[ . 1 . 2]" 1
920 1 32 CYS HB3 1 35 CYS HB2 . . 4.970 2.685 2.436 2.827 . 0 0 "[ . 1 . 2]" 1
921 1 27 ILE HB 1 57 ILE QG . . 4.800 3.457 3.356 3.591 . 0 0 "[ . 1 . 2]" 1
922 1 27 ILE HB 1 57 ILE HB . . 3.520 2.244 2.101 2.367 . 0 0 "[ . 1 . 2]" 1
923 1 56 GLU H 1 57 ILE HB . . 5.000 4.858 4.758 4.987 . 0 0 "[ . 1 . 2]" 1
924 1 97 ARG HA 1 100 ASN HB3 . . 4.530 3.306 2.891 3.861 . 0 0 "[ . 1 . 2]" 1
925 1 89 LYS HG3 1 90 ASP HB3 . . 4.860 4.593 4.236 5.285 0.425 18 0 "[ . 1 . 2]" 1
926 1 69 ILE HB 1 77 PHE QD . . 4.900 4.780 4.226 4.921 0.021 19 0 "[ . 1 . 2]" 1
927 1 27 ILE HB 1 57 ILE HA . . 3.970 2.565 2.334 2.839 . 0 0 "[ . 1 . 2]" 1
928 1 66 ALA MB 1 67 PHE HB3 . . 5.210 4.962 4.841 5.148 . 0 0 "[ . 1 . 2]" 1
929 1 31 TYR HA 1 67 PHE HB2 . . 4.800 4.696 4.355 4.822 0.022 4 0 "[ . 1 . 2]" 1
930 1 66 ALA MB 1 67 PHE HB2 . . 5.370 4.618 4.525 4.764 . 0 0 "[ . 1 . 2]" 1
931 1 82 ASN HB2 1 83 GLY H . . 4.580 3.627 2.056 3.955 . 0 0 "[ . 1 . 2]" 1
932 1 82 ASN H 1 82 ASN HB3 . . 3.900 2.700 2.530 3.584 . 0 0 "[ . 1 . 2]" 1
933 1 52 TYR QB 1 55 ILE HB . . 4.200 4.105 4.057 4.155 . 0 0 "[ . 1 . 2]" 1
934 1 52 TYR QB 1 55 ILE MG . . 3.690 1.940 1.866 2.085 . 0 0 "[ . 1 . 2]" 1
935 1 23 SER QB 1 52 TYR QB . . 5.220 4.532 4.026 5.185 . 0 0 "[ . 1 . 2]" 1
936 1 49 LYS HA 1 52 TYR QB . . 5.500 5.248 4.291 5.561 0.061 3 0 "[ . 1 . 2]" 1
937 1 37 PHE HB3 1 67 PHE QE . . 5.500 3.519 2.131 4.076 . 0 0 "[ . 1 . 2]" 1
938 1 37 PHE HB3 1 67 PHE QD . . 4.690 3.266 3.023 3.523 . 0 0 "[ . 1 . 2]" 1
939 1 31 TYR QD 1 37 PHE HB2 . . 5.020 2.162 1.989 2.444 . 0 0 "[ . 1 . 2]" 1
940 1 95 ILE HB 1 96 ARG HA . . 4.750 4.584 4.498 4.719 . 0 0 "[ . 1 . 2]" 1
941 1 37 PHE HB2 1 67 PHE QD . . 5.500 4.315 4.009 4.671 . 0 0 "[ . 1 . 2]" 1
942 1 87 TYR HB3 1 90 ASP H . . 4.290 3.259 2.931 3.737 . 0 0 "[ . 1 . 2]" 1
943 1 87 TYR HB2 1 90 ASP HB3 . . 2.940 2.395 2.025 3.361 0.421 18 0 "[ . 1 . 2]" 1
944 1 95 ILE H 1 95 ILE HB . . 3.660 3.619 3.602 3.665 0.005 17 0 "[ . 1 . 2]" 1
945 1 41 TYR QB 1 67 PHE QE . . 5.040 3.258 2.411 4.128 . 0 0 "[ . 1 . 2]" 1
946 1 81 GLU HG3 1 82 ASN H . . 4.880 3.455 1.829 4.684 . 0 0 "[ . 1 . 2]" 1
947 1 81 GLU HG2 1 82 ASN H . . 4.880 3.547 1.943 4.692 . 0 0 "[ . 1 . 2]" 1
948 1 30 GLU QG 1 66 ALA MB . . 4.410 4.239 3.851 4.425 0.015 9 0 "[ . 1 . 2]" 1
949 1 30 GLU QG 1 60 ARG H . . 5.500 4.383 3.899 4.976 . 0 0 "[ . 1 . 2]" 1
950 1 30 GLU QG 1 62 GLY HA3 . . 4.270 2.512 2.220 2.669 . 0 0 "[ . 1 . 2]" 1
951 1 30 GLU QG 1 62 GLY HA2 . . 3.960 2.206 1.912 2.677 . 0 0 "[ . 1 . 2]" 1
952 1 30 GLU QG 1 62 GLY H . . 5.500 3.527 2.668 3.968 . 0 0 "[ . 1 . 2]" 1
953 1 43 GLU HA 1 43 GLU HG3 . . 3.730 3.333 2.588 3.757 0.027 5 0 "[ . 1 . 2]" 1
954 1 50 GLU HA 1 50 GLU QG . . 3.640 2.496 2.161 3.034 . 0 0 "[ . 1 . 2]" 1
955 1 17 GLU H 1 17 GLU QG . . 3.850 2.681 1.922 4.001 0.151 13 0 "[ . 1 . 2]" 1
956 1 18 GLU HA 1 18 GLU QG . . 3.470 2.838 2.214 3.449 . 0 0 "[ . 1 . 2]" 1
957 1 43 GLU HA 1 43 GLU HG2 . . 3.730 2.615 2.188 3.795 0.065 7 0 "[ . 1 . 2]" 1
958 1 28 VAL MG2 1 58 GLU QG . . 4.900 4.347 3.700 4.913 0.013 4 0 "[ . 1 . 2]" 1
959 1 57 ILE MD 1 58 GLU QG . . 5.350 4.623 4.382 4.850 . 0 0 "[ . 1 . 2]" 1
960 1 89 LYS HA 1 92 ILE HB . . 3.920 3.811 3.247 3.960 0.040 14 0 "[ . 1 . 2]" 1
961 1 70 GLU QG 1 75 LEU HA . . 4.920 2.418 2.004 2.743 . 0 0 "[ . 1 . 2]" 1
962 1 70 GLU QG 1 77 PHE H . . 5.500 5.187 4.922 5.548 0.048 9 0 "[ . 1 . 2]" 1
963 1 92 ILE HB 1 94 ALA H . . 5.500 5.405 5.335 5.514 0.014 11 0 "[ . 1 . 2]" 1
964 1 92 ILE HB 1 92 ILE MD . . 3.620 2.238 2.036 2.505 . 0 0 "[ . 1 . 2]" 1
965 1 68 GLU QG 1 80 LEU QD . . 5.290 3.468 2.220 4.168 . 0 0 "[ . 1 . 2]" 1
966 1 93 GLU HA 1 93 GLU HG3 . . 4.240 3.679 3.625 3.737 . 0 0 "[ . 1 . 2]" 1
967 1 93 GLU HA 1 93 GLU HG2 . . 4.240 3.937 3.706 4.237 . 0 0 "[ . 1 . 2]" 1
968 1 35 CYS HB3 1 37 PHE QE . . 4.070 2.734 2.296 3.605 . 0 0 "[ . 1 . 2]" 1
969 1 60 ARG HB3 1 61 LEU H . . 5.180 3.441 2.457 4.358 . 0 0 "[ . 1 . 2]" 1
970 1 60 ARG HB2 1 61 LEU H . . 5.180 4.031 3.843 4.620 . 0 0 "[ . 1 . 2]" 1
971 1 74 GLN HA 1 74 GLN HG3 . . 3.720 3.112 2.272 3.716 . 0 0 "[ . 1 . 2]" 1
972 1 58 GLU H 1 58 GLU HB3 . . 3.980 3.767 3.605 3.937 . 0 0 "[ . 1 . 2]" 1
973 1 51 GLN HA 1 51 GLN HG2 . . 3.990 3.142 2.651 3.758 . 0 0 "[ . 1 . 2]" 1
974 1 58 GLU HB2 1 59 SER H . . 3.810 3.530 3.084 3.758 . 0 0 "[ . 1 . 2]" 1
975 1 28 VAL MG2 1 58 GLU HB2 . . 4.600 3.077 2.229 3.529 . 0 0 "[ . 1 . 2]" 1
976 1 66 ALA MB 1 68 GLU HB3 . . 5.400 5.195 4.995 5.316 . 0 0 "[ . 1 . 2]" 1
977 1 74 GLN QB 1 74 GLN HG3 . . 2.770 2.289 2.145 2.484 . 0 0 "[ . 1 . 2]" 1
978 1 68 GLU HB3 1 75 LEU QD . . 4.030 1.912 1.870 2.081 . 0 0 "[ . 1 . 2]" 1
979 1 115 VAL HB 1 116 ILE H . . 5.090 3.288 1.969 4.481 . 0 0 "[ . 1 . 2]" 1
980 1 12 VAL HB 1 13 ALA H . . 4.410 3.101 2.082 4.408 . 0 0 "[ . 1 . 2]" 1
981 1 29 VAL HB 1 30 GLU H . . 4.580 4.306 3.888 4.421 . 0 0 "[ . 1 . 2]" 1
982 1 29 VAL HB 1 41 TYR QE . . 3.860 3.373 2.482 3.869 0.009 13 0 "[ . 1 . 2]" 1
983 1 29 VAL H 1 29 VAL HB . . 3.850 2.594 2.474 2.675 . 0 0 "[ . 1 . 2]" 1
984 1 48 VAL QG 1 49 LYS QB . . 4.640 3.556 2.900 4.424 . 0 0 "[ . 1 . 2]" 1
985 1 25 VAL QG 1 26 ARG HB2 . . 5.260 4.468 4.279 4.556 . 0 0 "[ . 1 . 2]" 1
986 1 49 LYS H 1 49 LYS QB . . 3.280 2.240 2.131 2.496 . 0 0 "[ . 1 . 2]" 1
987 1 26 ARG HA 1 56 GLU HB3 . . 3.660 3.571 3.012 3.672 0.012 16 0 "[ . 1 . 2]" 1
988 1 55 ILE HA 1 56 GLU HB2 . . 4.690 4.056 3.930 4.218 . 0 0 "[ . 1 . 2]" 1
989 1 26 ARG HA 1 56 GLU HB2 . . 3.650 3.245 2.911 3.508 . 0 0 "[ . 1 . 2]" 1
990 1 16 PRO HB2 1 17 GLU HA . . 5.390 4.526 4.234 4.727 . 0 0 "[ . 1 . 2]" 1
991 1 30 GLU HB2 1 62 GLY HA2 . . 5.130 4.988 4.730 5.162 0.032 7 0 "[ . 1 . 2]" 1
992 1 48 VAL HB 1 49 LYS H . . 4.030 3.343 2.474 4.021 . 0 0 "[ . 1 . 2]" 1
993 1 73 GLY H 1 74 GLN QB . . 5.430 4.848 4.685 4.977 . 0 0 "[ . 1 . 2]" 1
994 1 74 GLN QB 1 76 VAL H . . 5.500 5.108 4.926 5.229 . 0 0 "[ . 1 . 2]" 1
995 1 74 GLN QB 1 74 GLN HG2 . . 2.770 2.339 2.135 2.490 . 0 0 "[ . 1 . 2]" 1
996 1 51 GLN QB 1 92 ILE MD . . 3.870 2.062 1.852 2.648 . 0 0 "[ . 1 . 2]" 1
997 1 47 ALA HA 1 50 GLU HB2 . . 3.940 3.423 2.865 3.899 . 0 0 "[ . 1 . 2]" 1
998 1 43 GLU H 1 43 GLU HB3 . . 4.030 3.390 2.356 3.566 . 0 0 "[ . 1 . 2]" 1
999 1 43 GLU HB3 1 44 LEU H . . 4.200 3.560 2.330 3.928 . 0 0 "[ . 1 . 2]" 1
1000 1 20 GLU QB 1 54 GLY H . . 3.960 3.037 2.064 3.980 0.020 8 0 "[ . 1 . 2]" 1
1001 1 95 ILE HG13 1 96 ARG H . . 4.770 2.178 1.944 2.417 . 0 0 "[ . 1 . 2]" 1
1002 1 48 VAL HA 1 51 GLN QB . . 4.330 3.188 2.444 3.756 . 0 0 "[ . 1 . 2]" 1
1003 1 95 ILE H 1 95 ILE HG12 . . 4.770 3.215 3.072 3.304 . 0 0 "[ . 1 . 2]" 1
1004 1 50 GLU HB3 1 50 GLU QG . . 2.600 2.243 2.144 2.460 . 0 0 "[ . 1 . 2]" 1
1005 1 95 ILE MD 1 96 ARG HB2 . . 4.530 3.007 2.477 3.753 . 0 0 "[ . 1 . 2]" 1
1006 1 50 GLU HB2 1 50 GLU QG . . 2.600 2.359 2.143 2.464 . 0 0 "[ . 1 . 2]" 1
1007 1 88 GLU HB2 1 89 LYS H . . 4.660 3.829 2.155 4.174 . 0 0 "[ . 1 . 2]" 1
1008 1 92 ILE H 1 92 ILE HG13 . . 4.750 4.448 4.384 4.550 . 0 0 "[ . 1 . 2]" 1
1009 1 92 ILE H 1 92 ILE HG12 . . 4.750 4.619 4.479 4.774 0.024 9 0 "[ . 1 . 2]" 1
1010 1 90 ASP HA 1 93 GLU HB3 . . 3.860 3.606 3.075 3.891 0.031 9 0 "[ . 1 . 2]" 1
1011 1 93 GLU HB2 1 96 ARG H . . 5.500 5.160 4.589 5.511 0.011 15 0 "[ . 1 . 2]" 1
1012 1 93 GLU H 1 93 GLU HB2 . . 3.750 3.611 3.595 3.639 . 0 0 "[ . 1 . 2]" 1
1013 1 27 ILE QG 1 71 ILE HA . . 5.270 2.882 2.494 3.162 . 0 0 "[ . 1 . 2]" 1
1014 1 27 ILE QG 1 57 ILE HB . . 3.830 3.744 3.472 3.999 0.169 20 0 "[ . 1 . 2]" 1
1015 1 27 ILE QG 1 71 ILE MD . . 3.820 1.937 1.863 2.110 . 0 0 "[ . 1 . 2]" 1
1016 1 33 GLU QB 1 61 LEU MD1 . . 5.370 2.325 1.891 4.191 . 0 0 "[ . 1 . 2]" 1
1017 1 60 ARG HA 1 60 ARG QG . . 3.820 2.455 2.074 3.068 . 0 0 "[ . 1 . 2]" 1
1018 1 67 PHE QD 1 69 ILE HG12 . . 5.500 3.942 3.188 4.411 . 0 0 "[ . 1 . 2]" 1
1019 1 42 LEU H 1 42 LEU HG . . 4.620 4.299 3.074 4.692 0.072 7 0 "[ . 1 . 2]" 1
1020 1 42 LEU HG 1 45 ALA MB . . 5.060 3.833 3.290 4.855 . 0 0 "[ . 1 . 2]" 1
1021 1 69 ILE HG13 1 75 LEU QD . . 5.500 4.541 4.285 4.903 . 0 0 "[ . 1 . 2]" 1
1022 1 30 GLU H 1 69 ILE HG13 . . 5.050 4.863 4.121 5.064 0.014 7 0 "[ . 1 . 2]" 1
1023 1 61 LEU HG 1 62 GLY H . . 5.090 3.690 2.023 5.017 . 0 0 "[ . 1 . 2]" 1
1024 1 33 GLU QB 1 61 LEU HG . . 5.090 4.183 2.410 4.678 . 0 0 "[ . 1 . 2]" 1
1025 1 71 ILE QG 1 98 ALA HA . . 4.830 4.742 4.549 4.887 0.057 16 0 "[ . 1 . 2]" 1
1026 1 96 ARG HG3 1 97 ARG H . . 5.340 4.760 3.679 5.369 0.029 16 0 "[ . 1 . 2]" 1
1027 1 96 ARG H 1 96 ARG HG2 . . 4.940 4.239 2.813 4.634 . 0 0 "[ . 1 . 2]" 1
1028 1 96 ARG HG2 1 97 ARG H . . 5.340 4.593 3.760 5.188 . 0 0 "[ . 1 . 2]" 1
1029 1 75 LEU HA 1 75 LEU QD . . 3.400 2.103 1.942 2.706 . 0 0 "[ . 1 . 2]" 1
1030 1 104 LEU HA 1 104 LEU QD . . 3.330 2.456 2.098 3.300 . 0 0 "[ . 1 . 2]" 1
1031 1 102 GLU H 1 104 LEU QD . . 4.360 4.220 3.841 4.500 0.140 6 0 "[ . 1 . 2]" 1
1032 1 44 LEU HA 1 44 LEU MD1 . . 4.060 3.540 3.421 3.749 . 0 0 "[ . 1 . 2]" 1
1033 1 33 GLU QB 1 61 LEU MD2 . . 5.370 3.308 1.959 4.322 . 0 0 "[ . 1 . 2]" 1
1034 1 103 THR MG 1 104 LEU H . . 3.480 2.325 1.926 3.496 0.016 14 0 "[ . 1 . 2]" 1
1035 1 103 THR HA 1 103 THR MG . . 2.880 2.148 1.944 3.186 0.306 14 0 "[ . 1 . 2]" 1
1036 1 41 TYR QB 1 42 LEU QD . . 4.410 3.572 2.976 4.155 . 0 0 "[ . 1 . 2]" 1
1037 1 25 VAL QG 1 95 ILE HB . . 3.400 2.026 1.898 2.469 . 0 0 "[ . 1 . 2]" 1
1038 1 25 VAL QG 1 71 ILE QG . . 3.600 2.163 1.899 2.316 . 0 0 "[ . 1 . 2]" 1
1039 1 25 VAL QG 1 95 ILE MG . . 3.560 2.084 1.890 2.478 . 0 0 "[ . 1 . 2]" 1
1040 1 25 VAL QG 1 26 ARG HA . . 4.120 3.753 3.646 3.827 . 0 0 "[ . 1 . 2]" 1
1041 1 25 VAL QG 1 27 ILE HA . . 4.380 3.703 3.534 3.862 . 0 0 "[ . 1 . 2]" 1
1042 1 64 THR H 1 64 THR MG . . 3.860 3.648 2.614 3.879 0.019 11 0 "[ . 1 . 2]" 1
1043 1 64 THR MG 1 65 GLY H . . 3.630 3.542 3.203 3.770 0.140 8 0 "[ . 1 . 2]" 1
1044 1 63 GLY HA3 1 64 THR MG . . 4.580 4.356 3.617 4.574 . 0 0 "[ . 1 . 2]" 1
1045 1 64 THR HA 1 64 THR MG . . 2.900 2.179 1.975 3.192 0.292 8 0 "[ . 1 . 2]" 1
1046 1 107 ILE MG 1 108 THR MG . . 4.150 3.355 2.616 3.833 . 0 0 "[ . 1 . 2]" 1
1047 1 107 ILE HA 1 108 THR MG . . 3.920 3.875 3.784 3.931 0.011 8 0 "[ . 1 . 2]" 1
1048 1 108 THR MG 1 109 ASN QB . . 4.280 3.915 2.913 4.287 0.007 8 0 "[ . 1 . 2]" 1
1049 1 115 VAL QG 1 117 LEU H . . 3.810 3.559 1.993 3.952 0.142 13 0 "[ . 1 . 2]" 1
1050 1 114 CYS HA 1 115 VAL QG . . 3.910 3.669 3.305 3.946 0.036 17 0 "[ . 1 . 2]" 1
1051 1 18 GLU H 1 19 VAL QG . . 3.750 3.415 3.207 3.756 0.006 15 0 "[ . 1 . 2]" 1
1052 1 19 VAL HA 1 19 VAL QG . . 2.870 2.095 2.040 2.305 . 0 0 "[ . 1 . 2]" 1
1053 1 115 VAL HA 1 115 VAL QG . . 3.160 2.247 2.055 2.350 . 0 0 "[ . 1 . 2]" 1
1054 1 17 GLU QG 1 19 VAL QG . . 3.010 2.353 1.894 3.016 0.006 3 0 "[ . 1 . 2]" 1
1055 1 27 ILE HA 1 28 VAL MG2 . . 4.110 3.502 3.391 3.566 . 0 0 "[ . 1 . 2]" 1
1056 1 28 VAL H 1 28 VAL MG2 . . 3.630 3.058 2.939 3.144 . 0 0 "[ . 1 . 2]" 1
1057 1 28 VAL HA 1 28 VAL MG2 . . 3.160 2.341 2.285 2.393 . 0 0 "[ . 1 . 2]" 1
1058 1 28 VAL MG1 1 30 GLU HA . . 4.350 3.906 3.587 4.350 . 0 0 "[ . 1 . 2]" 1
1059 1 28 VAL MG1 1 30 GLU H . . 4.600 4.055 3.567 4.622 0.022 13 0 "[ . 1 . 2]" 1
1060 1 28 VAL HA 1 28 VAL MG1 . . 3.260 2.340 2.255 2.413 . 0 0 "[ . 1 . 2]" 1
1061 1 29 VAL H 1 29 VAL MG1 . . 4.080 3.496 1.876 3.786 . 0 0 "[ . 1 . 2]" 1
1062 1 40 THR MG 1 41 TYR HA . . 5.490 3.785 3.524 4.111 . 0 0 "[ . 1 . 2]" 1
1063 1 40 THR MG 1 67 PHE QE . . 4.120 3.934 3.342 4.177 0.057 19 0 "[ . 1 . 2]" 1
1064 1 40 THR MG 1 67 PHE HZ . . 3.810 3.645 2.831 3.849 0.039 7 0 "[ . 1 . 2]" 1
1065 1 37 PHE HB3 1 40 THR MG . . 5.500 5.392 4.924 5.558 0.058 11 0 "[ . 1 . 2]" 1
1066 1 40 THR MG 1 41 TYR H . . 4.130 3.828 3.385 4.108 . 0 0 "[ . 1 . 2]" 1
1067 1 29 VAL H 1 29 VAL MG2 . . 4.080 2.437 1.944 3.783 . 0 0 "[ . 1 . 2]" 1
1068 1 28 VAL MG1 1 60 ARG H . . 3.890 3.496 2.911 3.954 0.064 9 0 "[ . 1 . 2]" 1
1069 1 29 VAL MG1 1 41 TYR QD . . 3.550 3.047 2.366 3.561 0.011 19 0 "[ . 1 . 2]" 1
1070 1 66 ALA MB 1 67 PHE H . . 3.360 2.299 2.118 2.506 . 0 0 "[ . 1 . 2]" 1
1071 1 65 GLY H 1 66 ALA MB . . 4.480 4.441 4.373 4.552 0.072 7 0 "[ . 1 . 2]" 1
1072 1 66 ALA MB 1 68 GLU QG . . 2.980 2.778 2.323 3.011 0.031 7 0 "[ . 1 . 2]" 1
1073 1 66 ALA MB 1 68 GLU HB2 . . 4.420 4.088 3.950 4.294 . 0 0 "[ . 1 . 2]" 1
1074 1 66 ALA MB 1 80 LEU QD . . 3.000 2.245 1.763 3.072 0.072 18 0 "[ . 1 . 2]" 1
1075 1 31 TYR HA 1 66 ALA MB . . 3.640 3.378 2.902 3.640 . 6 0 "[ . 1 . 2]" 1
1076 1 62 GLY HA2 1 66 ALA MB . . 4.770 4.313 3.882 4.801 0.031 11 0 "[ . 1 . 2]" 1
1077 1 74 GLN H 1 76 VAL QG . . 4.070 3.841 3.621 4.043 . 0 0 "[ . 1 . 2]" 1
1078 1 25 VAL QG 1 98 ALA MB . . 2.720 2.048 1.718 2.240 . 0 0 "[ . 1 . 2]" 1
1079 1 95 ILE HA 1 98 ALA MB . . 3.150 2.189 1.959 2.441 . 0 0 "[ . 1 . 2]" 1
1080 1 71 ILE QG 1 98 ALA MB . . 3.250 2.436 2.198 2.586 . 0 0 "[ . 1 . 2]" 1
1081 1 98 ALA MB 1 104 LEU QD . . 3.640 2.307 1.944 3.651 0.011 4 0 "[ . 1 . 2]" 1
1082 1 107 ILE MG 1 109 ASN QB . . 3.860 3.025 1.908 3.730 . 0 0 "[ . 1 . 2]" 1
1083 1 107 ILE MD 1 107 ILE MG . . 3.110 2.518 2.037 3.107 . 0 0 "[ . 1 . 2]" 1
1084 1 92 ILE H 1 94 ALA MB . . 5.500 4.696 4.464 4.955 . 0 0 "[ . 1 . 2]" 1
1085 1 94 ALA MB 1 98 ALA H . . 5.500 4.637 4.421 4.805 . 0 0 "[ . 1 . 2]" 1
1086 1 94 ALA MB 1 95 ILE HG13 . . 4.400 4.145 3.851 4.402 0.002 9 0 "[ . 1 . 2]" 1
1087 1 71 ILE QG 1 94 ALA MB . . 2.640 2.111 1.952 2.667 0.027 9 0 "[ . 1 . 2]" 1
1088 1 98 ALA MB 1 104 LEU HG . . 4.370 4.216 3.590 4.432 0.062 16 0 "[ . 1 . 2]" 1
1089 1 12 VAL HB 1 13 ALA MB . . 4.700 4.489 3.496 4.720 0.020 3 0 "[ . 1 . 2]" 1
1090 1 23 SER HA 1 55 ILE MG . . 3.460 1.971 1.871 2.169 . 0 0 "[ . 1 . 2]" 1
1091 1 92 ILE MG 1 95 ILE H . . 5.500 5.436 5.243 5.535 0.035 6 0 "[ . 1 . 2]" 1
1092 1 92 ILE MG 1 96 ARG H . . 5.500 5.294 4.955 5.533 0.033 2 0 "[ . 1 . 2]" 1
1093 1 89 LYS HA 1 92 ILE MG . . 4.550 2.054 1.878 2.826 . 0 0 "[ . 1 . 2]" 1
1094 1 52 TYR QD 1 92 ILE MG . . 5.500 5.413 4.930 5.605 0.105 16 0 "[ . 1 . 2]" 1
1095 1 52 TYR QE 1 92 ILE MG . . 4.230 4.103 3.697 4.278 0.048 4 0 "[ . 1 . 2]" 1
1096 1 92 ILE MG 1 93 GLU HA . . 4.630 3.212 3.100 3.415 . 0 0 "[ . 1 . 2]" 1
1097 1 92 ILE HA 1 92 ILE MG . . 3.480 3.188 3.155 3.202 . 0 0 "[ . 1 . 2]" 1
1098 1 92 ILE MD 1 92 ILE MG . . 3.030 2.491 1.962 3.078 0.048 6 0 "[ . 1 . 2]" 1
1099 1 41 TYR QE 1 45 ALA MB . . 4.050 3.298 2.989 3.761 . 0 0 "[ . 1 . 2]" 1
1100 1 45 ALA MB 1 48 VAL H . . 5.260 4.465 4.107 4.779 . 0 0 "[ . 1 . 2]" 1
1101 1 42 LEU HA 1 45 ALA MB . . 3.010 2.139 1.922 3.050 0.040 7 0 "[ . 1 . 2]" 1
1102 1 45 ALA MB 1 48 VAL HB . . 5.070 4.135 3.121 5.080 0.010 17 0 "[ . 1 . 2]" 1
1103 1 45 ALA MB 1 46 SER HA . . 4.610 3.902 3.803 3.988 . 0 0 "[ . 1 . 2]" 1
1104 1 27 ILE MG 1 28 VAL HB . . 4.640 4.571 4.497 4.653 0.013 8 0 "[ . 1 . 2]" 1
1105 1 27 ILE MG 1 57 ILE QG . . 4.020 3.421 3.221 3.644 . 0 0 "[ . 1 . 2]" 1
1106 1 41 TYR QD 1 45 ALA MB . . 4.330 3.516 3.205 3.960 . 0 0 "[ . 1 . 2]" 1
1107 1 27 ILE MG 1 57 ILE HB . . 3.550 3.485 3.285 3.624 0.074 18 0 "[ . 1 . 2]" 1
1108 1 29 VAL HA 1 69 ILE MG . . 4.100 3.363 2.877 3.764 . 0 0 "[ . 1 . 2]" 1
1109 1 69 ILE MG 1 71 ILE HA . . 4.490 3.787 3.554 3.942 . 0 0 "[ . 1 . 2]" 1
1110 1 71 ILE QG 1 71 ILE MG . . 3.190 2.088 2.032 2.114 . 0 0 "[ . 1 . 2]" 1
1111 1 71 ILE MG 1 72 ASN HD21 . . 4.620 2.167 1.901 3.588 . 0 0 "[ . 1 . 2]" 1
1112 1 71 ILE HA 1 71 ILE MG . . 3.710 3.190 3.184 3.203 . 0 0 "[ . 1 . 2]" 1
1113 1 71 ILE MG 1 72 ASN HA . . 4.820 3.925 3.825 4.046 . 0 0 "[ . 1 . 2]" 1
1114 1 57 ILE HA 1 57 ILE MG . . 3.610 3.175 3.167 3.185 . 0 0 "[ . 1 . 2]" 1
1115 1 57 ILE MG 1 58 GLU QG . . 4.810 4.425 4.061 4.730 . 0 0 "[ . 1 . 2]" 1
1116 1 52 TYR QB 1 95 ILE MG . . 4.490 4.276 3.931 4.502 0.012 20 0 "[ . 1 . 2]" 1
1117 1 52 TYR QD 1 95 ILE MG . . 4.390 3.779 3.084 4.299 . 0 0 "[ . 1 . 2]" 1
1118 1 52 TYR QE 1 95 ILE MG . . 4.420 3.752 2.573 4.451 0.031 2 0 "[ . 1 . 2]" 1
1119 1 95 ILE HA 1 95 ILE MG . . 3.540 2.347 2.250 2.433 . 0 0 "[ . 1 . 2]" 1
1120 1 55 ILE MG 1 95 ILE MG . . 3.840 2.867 2.298 3.275 . 0 0 "[ . 1 . 2]" 1
1121 1 71 ILE MD 1 95 ILE MG . . 2.810 1.810 1.733 1.963 . 0 0 "[ . 1 . 2]" 1
1122 1 95 ILE HG12 1 95 ILE MG . . 3.240 2.165 1.992 2.222 . 0 0 "[ . 1 . 2]" 1
1123 1 92 ILE HA 1 95 ILE MG . . 4.500 3.905 3.570 4.260 . 0 0 "[ . 1 . 2]" 1
1124 1 52 TYR QB 1 55 ILE MD . . 4.530 3.532 3.006 3.839 . 0 0 "[ . 1 . 2]" 1
1125 1 52 TYR QB 1 95 ILE MD . . 4.880 3.344 2.777 4.089 . 0 0 "[ . 1 . 2]" 1
1126 1 55 ILE HA 1 55 ILE MD . . 4.240 3.854 3.723 4.008 . 0 0 "[ . 1 . 2]" 1
1127 1 95 ILE MD 1 96 ARG HB3 . . 4.530 4.135 3.607 4.495 . 0 0 "[ . 1 . 2]" 1
1128 1 55 ILE MD 1 55 ILE MG . . 3.010 2.836 2.668 3.018 0.008 6 0 "[ . 1 . 2]" 1
1129 1 55 ILE MG 1 95 ILE MD . . 3.380 3.249 2.791 3.441 0.061 10 0 "[ . 1 . 2]" 1
1130 1 95 ILE MD 1 96 ARG H . . 4.150 2.700 2.416 3.049 . 0 0 "[ . 1 . 2]" 1
1131 1 95 ILE HB 1 95 ILE MD . . 3.320 2.100 2.021 2.182 . 0 0 "[ . 1 . 2]" 1
1132 1 55 ILE MD 1 95 ILE MG . . 3.560 3.189 2.726 3.549 . 0 0 "[ . 1 . 2]" 1
1133 1 95 ILE MD 1 95 ILE MG . . 3.870 3.109 3.031 3.158 . 0 0 "[ . 1 . 2]" 1
1134 1 95 ILE MD 1 96 ARG HA . . 4.050 2.548 2.332 2.797 . 0 0 "[ . 1 . 2]" 1
1135 1 57 ILE MD 1 58 GLU HB3 . . 5.200 5.019 4.808 5.189 . 0 0 "[ . 1 . 2]" 1
1136 1 57 ILE HA 1 57 ILE MD . . 4.190 1.998 1.947 2.162 . 0 0 "[ . 1 . 2]" 1
1137 1 27 ILE MD 1 57 ILE HB . . 3.280 2.572 2.309 2.667 . 0 0 "[ . 1 . 2]" 1
1138 1 57 ILE HB 1 57 ILE MD . . 3.560 2.432 2.368 2.483 . 0 0 "[ . 1 . 2]" 1
1139 1 57 ILE MD 1 58 GLU HA . . 4.240 3.770 3.539 3.978 . 0 0 "[ . 1 . 2]" 1
1140 1 28 VAL H 1 57 ILE MD . . 4.090 3.361 3.228 3.482 . 0 0 "[ . 1 . 2]" 1
1141 1 27 ILE MD 1 57 ILE MG . . 3.530 3.558 3.402 3.618 0.088 7 0 "[ . 1 . 2]" 1
1142 1 71 ILE HA 1 71 ILE MD . . 4.620 2.115 1.962 2.709 . 0 0 "[ . 1 . 2]" 1
1143 1 71 ILE MD 1 94 ALA HA . . 4.100 3.895 3.728 4.080 . 0 0 "[ . 1 . 2]" 1
1144 1 71 ILE MD 1 94 ALA MB . . 2.980 1.858 1.796 1.987 . 0 0 "[ . 1 . 2]" 1
1145 1 107 ILE HA 1 107 ILE MD . . 4.180 2.930 1.982 3.884 . 0 0 "[ . 1 . 2]" 1
1146 1 107 ILE HB 1 107 ILE MD . . 3.690 2.622 2.054 3.229 . 0 0 "[ . 1 . 2]" 1
1147 1 28 VAL HA 1 57 ILE MD . . 4.260 2.609 2.540 2.712 . 0 0 "[ . 1 . 2]" 1
1148 1 27 ILE HA 1 57 ILE MD . . 4.260 3.763 3.705 4.016 . 0 0 "[ . 1 . 2]" 1
1149 1 28 VAL H 1 71 ILE MD . . 5.500 4.769 4.447 5.045 . 0 0 "[ . 1 . 2]" 1
1150 1 71 ILE H 1 71 ILE MD . . 5.500 4.044 3.976 4.200 . 0 0 "[ . 1 . 2]" 1
1151 1 27 ILE MD 1 27 ILE MG . . 3.290 2.362 1.946 3.152 . 0 0 "[ . 1 . 2]" 1
1152 1 48 VAL QG 1 92 ILE MD . . 3.630 3.242 2.028 3.760 0.130 12 0 "[ . 1 . 2]" 1
1153 1 52 TYR HA 1 92 ILE MD . . 5.500 5.499 5.305 5.740 0.240 10 0 "[ . 1 . 2]" 1
1154 1 52 TYR QD 1 92 ILE MD . . 3.950 3.172 2.569 3.636 . 0 0 "[ . 1 . 2]" 1
1155 1 92 ILE HA 1 92 ILE MD . . 3.830 3.351 2.604 3.760 . 0 0 "[ . 1 . 2]" 1
1156 1 51 GLN HE22 1 92 ILE MD . . 5.240 3.443 2.778 4.305 . 0 0 "[ . 1 . 2]" 1
1157 1 52 TYR QE 1 92 ILE MD . . 5.490 2.702 2.006 3.314 . 0 0 "[ . 1 . 2]" 1
1158 1 87 TYR QD 1 90 ASP HB3 . . 3.520 2.944 2.313 3.856 0.336 18 0 "[ . 1 . 2]" 1
1159 1 52 TYR H 1 52 TYR QD . . 4.100 2.841 2.115 4.098 . 0 0 "[ . 1 . 2]" 1
1160 1 51 GLN QB 1 52 TYR QD . . 4.000 3.321 3.060 3.735 . 0 0 "[ . 1 . 2]" 1
1161 1 48 VAL QG 1 52 TYR QD . . 4.220 3.571 2.756 4.119 . 0 0 "[ . 1 . 2]" 1
1162 1 52 TYR QD 1 55 ILE MG . . 4.400 3.250 3.021 3.417 . 0 0 "[ . 1 . 2]" 1
1163 1 52 TYR HA 1 52 TYR QD . . 3.680 3.161 1.977 3.674 . 0 0 "[ . 1 . 2]" 1
1164 1 52 TYR QD 1 95 ILE MD . . 3.790 2.418 1.961 3.374 . 0 0 "[ . 1 . 2]" 1
1165 1 41 TYR QD 1 42 LEU HA . . 4.570 4.134 3.613 4.428 . 0 0 "[ . 1 . 2]" 1
1166 1 41 TYR QD 1 42 LEU H . . 4.040 3.876 3.413 4.067 0.027 7 0 "[ . 1 . 2]" 1
1167 1 29 VAL MG2 1 41 TYR QD . . 3.550 2.693 2.000 3.470 . 0 0 "[ . 1 . 2]" 1
1168 1 31 TYR QD 1 33 GLU HA . . 3.840 3.191 3.037 3.567 . 0 0 "[ . 1 . 2]" 1
1169 1 67 PHE QD 1 68 GLU H . . 4.850 4.794 4.680 4.883 0.033 18 0 "[ . 1 . 2]" 1
1170 1 67 PHE QD 1 69 ILE HG13 . . 4.730 3.140 2.763 3.506 . 0 0 "[ . 1 . 2]" 1
1171 1 67 PHE QE 1 69 ILE MD . . 3.610 2.573 1.924 3.163 . 0 0 "[ . 1 . 2]" 1
1172 1 51 GLN QB 1 52 TYR QE . . 4.400 3.545 2.944 4.420 0.020 9 0 "[ . 1 . 2]" 1
1173 1 29 VAL H 1 41 TYR QE . . 4.940 4.157 2.880 4.925 . 0 0 "[ . 1 . 2]" 1
1174 1 31 TYR QE 1 33 GLU HA . . 3.320 2.214 2.020 2.612 . 0 0 "[ . 1 . 2]" 1
1175 1 9 GLN QB 1 9 GLN QG . . 2.310 2.048 1.989 2.086 . 0 0 "[ . 1 . 2]" 1
1176 1 17 GLU H 1 17 GLU QB . . 3.120 2.472 2.047 2.938 . 0 0 "[ . 1 . 2]" 1
1177 1 17 GLU QB 1 18 GLU H . . 2.990 2.475 1.965 3.304 0.314 13 0 "[ . 1 . 2]" 1
1178 1 17 GLU QB 1 19 VAL H . . 4.890 4.537 3.760 4.894 0.004 19 0 "[ . 1 . 2]" 1
1179 1 17 GLU QB 1 19 VAL QG . . 3.890 2.715 2.084 3.439 . 0 0 "[ . 1 . 2]" 1
1180 1 18 GLU H 1 18 GLU QB . . 3.000 2.697 2.268 3.078 0.078 13 0 "[ . 1 . 2]" 1
1181 1 20 GLU QB 1 54 GLY QA . . 3.370 3.032 1.937 3.398 0.028 16 0 "[ . 1 . 2]" 1
1182 1 20 GLU QG 1 54 GLY QA . . 5.270 3.521 2.077 4.375 . 0 0 "[ . 1 . 2]" 1
1183 1 21 PRO HA 1 22 GLY QA . . 5.340 4.460 4.365 4.508 . 0 0 "[ . 1 . 2]" 1
1184 1 21 PRO HB2 1 22 GLY QA . . 5.120 3.861 3.728 4.030 . 0 0 "[ . 1 . 2]" 1
1185 1 22 GLY QA 1 52 TYR QB . . 3.510 3.071 2.484 3.538 0.028 2 0 "[ . 1 . 2]" 1
1186 1 22 GLY QA 1 52 TYR QD . . 4.360 3.019 2.734 3.378 . 0 0 "[ . 1 . 2]" 1
1187 1 22 GLY QA 1 55 ILE MG . . 4.510 3.483 3.093 3.917 . 0 0 "[ . 1 . 2]" 1
1188 1 22 GLY QA 1 95 ILE MG . . 5.340 4.582 4.241 4.906 . 0 0 "[ . 1 . 2]" 1
1189 1 22 GLY QA 1 99 SER QB . . 5.150 3.690 3.117 4.247 . 0 0 "[ . 1 . 2]" 1
1190 1 23 SER QB 1 54 GLY QA . . 3.080 2.556 1.982 3.070 . 0 0 "[ . 1 . 2]" 1
1191 1 24 GLY QA 1 25 VAL H . . 3.110 2.822 2.750 2.904 . 0 0 "[ . 1 . 2]" 1
1192 1 24 GLY QA 1 25 VAL QG . . 4.150 3.225 3.156 3.286 . 0 0 "[ . 1 . 2]" 1
1193 1 26 ARG QG 1 27 ILE H . . 4.460 3.499 3.234 3.829 . 0 0 "[ . 1 . 2]" 1
1194 1 28 VAL HB 1 73 GLY QA . . 5.340 2.941 2.629 3.900 . 0 0 "[ . 1 . 2]" 1
1195 1 28 VAL MG1 1 60 ARG QB . . 4.530 2.276 1.897 3.073 . 0 0 "[ . 1 . 2]" 1
1196 1 29 VAL H 1 29 VAL QG . . 2.940 2.145 1.871 2.362 . 0 0 "[ . 1 . 2]" 1
1197 1 29 VAL HB 1 59 SER QB . . 5.130 4.120 2.814 5.146 0.016 5 0 "[ . 1 . 2]" 1
1198 1 29 VAL QG 1 30 GLU H . . 3.340 2.790 2.232 3.075 . 0 0 "[ . 1 . 2]" 1
1199 1 29 VAL QG 1 31 TYR H . . 4.280 3.869 3.400 4.066 . 0 0 "[ . 1 . 2]" 1
1200 1 29 VAL QG 1 31 TYR QB . . 3.850 2.825 2.573 3.009 . 0 0 "[ . 1 . 2]" 1
1201 1 29 VAL QG 1 31 TYR QD . . 3.530 2.122 1.885 2.660 . 0 0 "[ . 1 . 2]" 1
1202 1 29 VAL QG 1 38 GLU HA . . 5.440 5.283 4.965 5.463 0.023 12 0 "[ . 1 . 2]" 1
1203 1 29 VAL QG 1 41 TYR QB . . 4.890 2.953 2.627 3.347 . 0 0 "[ . 1 . 2]" 1
1204 1 29 VAL QG 1 41 TYR QD . . 2.940 2.488 1.903 2.969 0.029 10 0 "[ . 1 . 2]" 1
1205 1 29 VAL QG 1 57 ILE MD . . 2.700 2.117 1.873 2.707 0.007 18 0 "[ . 1 . 2]" 1
1206 1 29 VAL QG 1 59 SER HA . . 4.590 3.739 1.895 4.216 . 0 0 "[ . 1 . 2]" 1
1207 1 29 VAL QG 1 59 SER QB . . 4.500 3.924 1.948 4.501 0.001 7 0 "[ . 1 . 2]" 1
1208 1 29 VAL QG 1 67 PHE HB3 . . 5.440 5.299 5.031 5.457 0.017 17 0 "[ . 1 . 2]" 1
1209 1 29 VAL QG 1 67 PHE QD . . 4.780 3.628 3.339 3.935 . 0 0 "[ . 1 . 2]" 1
1210 1 29 VAL QG 1 67 PHE QE . . 4.780 2.886 2.388 3.359 . 0 0 "[ . 1 . 2]" 1
1211 1 29 VAL QG 1 67 PHE HZ . . 3.920 3.072 2.547 3.494 . 0 0 "[ . 1 . 2]" 1
1212 1 29 VAL QG 1 68 GLU H . . 5.220 4.993 4.715 5.143 . 0 0 "[ . 1 . 2]" 1
1213 1 29 VAL QG 1 69 ILE HG12 . . 4.290 2.932 2.467 3.380 . 0 0 "[ . 1 . 2]" 1
1214 1 29 VAL QG 1 69 ILE HG13 . . 4.170 3.815 3.088 4.192 0.022 10 0 "[ . 1 . 2]" 1
1215 1 29 VAL QG 1 70 GLU H . . 5.110 3.929 3.610 4.549 . 0 0 "[ . 1 . 2]" 1
1216 1 30 GLU HA 1 60 ARG QB . . 3.760 3.069 2.480 3.816 0.056 6 0 "[ . 1 . 2]" 1
1217 1 31 TYR H 1 61 LEU QD . . 5.410 4.643 4.209 5.259 . 0 0 "[ . 1 . 2]" 1
1218 1 31 TYR QB 1 32 CYS H . . 4.220 2.478 2.377 2.624 . 0 0 "[ . 1 . 2]" 1
1219 1 31 TYR QB 1 37 PHE H . . 4.990 5.000 4.936 5.023 0.033 17 0 "[ . 1 . 2]" 1
1220 1 31 TYR QB 1 37 PHE QD . . 5.000 3.579 3.236 3.908 . 0 0 "[ . 1 . 2]" 1
1221 1 31 TYR QB 1 67 PHE HA . . 4.440 2.696 2.304 3.196 . 0 0 "[ . 1 . 2]" 1
1222 1 31 TYR QB 1 67 PHE QD . . 4.030 2.338 1.891 3.087 . 0 0 "[ . 1 . 2]" 1
1223 1 31 TYR QD 1 59 SER QB . . 4.470 3.974 3.455 4.450 . 0 0 "[ . 1 . 2]" 1
1224 1 31 TYR QE 1 38 GLU QB . . 4.200 2.210 1.980 2.961 . 0 0 "[ . 1 . 2]" 1
1225 1 31 TYR QE 1 38 GLU QG . . 3.700 3.519 3.144 3.714 0.014 18 0 "[ . 1 . 2]" 1
1226 1 31 TYR QE 1 59 SER QB . . 3.520 2.339 1.918 3.204 . 0 0 "[ . 1 . 2]" 1
1227 1 31 TYR QE 1 61 LEU QD . . 5.440 4.993 4.628 5.510 0.070 11 0 "[ . 1 . 2]" 1
1228 1 33 GLU H 1 61 LEU QD . . 3.800 2.194 1.855 3.784 . 0 0 "[ . 1 . 2]" 1
1229 1 33 GLU QB 1 61 LEU QD . . 3.970 2.102 1.833 3.789 . 0 0 "[ . 1 . 2]" 1
1230 1 33 GLU QG 1 61 LEU QD . . 4.930 2.949 2.122 3.790 . 0 0 "[ . 1 . 2]" 1
1231 1 35 CYS H 1 36 GLY QA . . 4.190 3.647 3.635 3.675 . 0 0 "[ . 1 . 2]" 1
1232 1 36 GLY QA 1 37 PHE QD . . 4.880 4.475 3.732 4.864 . 0 0 "[ . 1 . 2]" 1
1233 1 36 GLY QA 1 38 GLU H . . 4.880 3.114 3.003 3.319 . 0 0 "[ . 1 . 2]" 1
1234 1 38 GLU H 1 38 GLU QG . . 4.550 3.981 3.900 4.071 . 0 0 "[ . 1 . 2]" 1
1235 1 38 GLU QB 1 39 ALA H . . 3.360 3.017 2.664 3.272 . 0 0 "[ . 1 . 2]" 1
1236 1 38 GLU QB 1 42 LEU QD . . 5.340 3.955 3.573 4.836 . 0 0 "[ . 1 . 2]" 1
1237 1 38 GLU QG 1 41 TYR H . . 4.600 4.273 3.941 4.624 0.024 4 0 "[ . 1 . 2]" 1
1238 1 38 GLU QG 1 42 LEU QD . . 4.310 2.437 1.955 3.278 . 0 0 "[ . 1 . 2]" 1
1239 1 40 THR H 1 42 LEU QB . . 5.280 4.995 4.592 5.367 0.087 15 0 "[ . 1 . 2]" 1
1240 1 40 THR H 1 44 LEU QD . . 5.440 5.388 5.236 5.551 0.111 15 0 "[ . 1 . 2]" 1
1241 1 41 TYR QB 1 44 LEU QD . . 5.280 3.711 3.325 4.141 . 0 0 "[ . 1 . 2]" 1
1242 1 41 TYR QE 1 59 SER QB . . 4.100 2.592 1.965 3.455 . 0 0 "[ . 1 . 2]" 1
1243 1 42 LEU H 1 42 LEU QB . . 2.930 2.169 2.057 2.335 . 0 0 "[ . 1 . 2]" 1
1244 1 42 LEU QB 1 43 GLU H . . 3.480 3.071 2.620 3.494 0.014 18 0 "[ . 1 . 2]" 1
1245 1 43 GLU H 1 43 GLU QG . . 3.420 2.889 2.321 3.438 0.018 17 0 "[ . 1 . 2]" 1
1246 1 43 GLU HA 1 43 GLU QG . . 3.200 2.489 2.134 3.313 0.113 7 0 "[ . 1 . 2]" 1
1247 1 44 LEU H 1 44 LEU QD . . 3.710 2.729 1.759 3.124 . 0 0 "[ . 1 . 2]" 1
1248 1 44 LEU HA 1 44 LEU QD . . 3.440 3.273 3.035 3.432 . 0 0 "[ . 1 . 2]" 1
1249 1 44 LEU QD 1 45 ALA H . . 3.540 2.535 1.843 2.918 . 0 0 "[ . 1 . 2]" 1
1250 1 44 LEU QD 1 45 ALA HA . . 3.250 2.530 2.235 2.810 . 0 0 "[ . 1 . 2]" 1
1251 1 44 LEU QD 1 45 ALA MB . . 2.890 2.715 2.223 2.922 0.032 4 0 "[ . 1 . 2]" 1
1252 1 44 LEU QD 1 46 SER H . . 4.660 4.219 3.719 4.575 . 0 0 "[ . 1 . 2]" 1
1253 1 44 LEU QD 1 47 ALA H . . 4.450 4.401 3.931 4.538 0.088 11 0 "[ . 1 . 2]" 1
1254 1 44 LEU QD 1 48 VAL H . . 4.000 3.779 3.253 4.009 0.009 5 0 "[ . 1 . 2]" 1
1255 1 48 VAL QG 1 51 GLN QG . . 4.300 3.545 2.397 4.389 0.089 16 0 "[ . 1 . 2]" 1
1256 1 51 GLN QG 1 52 TYR H . . 4.710 3.948 3.558 4.359 . 0 0 "[ . 1 . 2]" 1
1257 1 51 GLN QG 1 92 ILE MD . . 3.460 2.303 1.792 2.822 . 0 0 "[ . 1 . 2]" 1
1258 1 51 GLN HE21 1 92 ILE QG . . 4.890 4.197 3.507 4.960 0.070 4 0 "[ . 1 . 2]" 1
1259 1 53 PRO QB 1 54 GLY H . . 3.810 3.602 3.572 3.635 . 0 0 "[ . 1 . 2]" 1
1260 1 54 GLY QA 1 55 ILE MG . . 5.120 3.776 3.721 3.815 . 0 0 "[ . 1 . 2]" 1
1261 1 58 GLU HA 1 59 SER QB . . 5.200 4.324 4.031 4.661 . 0 0 "[ . 1 . 2]" 1
1262 1 58 GLU HB3 1 59 SER QB . . 5.340 4.797 4.331 5.143 . 0 0 "[ . 1 . 2]" 1
1263 1 59 SER H 1 59 SER QB . . 3.380 2.865 2.227 3.269 . 0 0 "[ . 1 . 2]" 1
1264 1 59 SER QB 1 60 ARG H . . 3.440 2.959 2.394 3.434 . 0 0 "[ . 1 . 2]" 1
1265 1 60 ARG QB 1 61 LEU H . . 4.420 3.223 2.430 3.987 . 0 0 "[ . 1 . 2]" 1
1266 1 60 ARG QD 1 61 LEU QB . . 5.150 4.562 3.048 5.184 0.034 19 0 "[ . 1 . 2]" 1
1267 1 61 LEU H 1 61 LEU QD . . 3.400 2.902 1.877 3.438 0.038 16 0 "[ . 1 . 2]" 1
1268 1 61 LEU HA 1 61 LEU QD . . 3.500 2.097 1.903 3.048 . 0 0 "[ . 1 . 2]" 1
1269 1 61 LEU QB 1 61 LEU QD . . 2.820 1.955 1.842 2.065 . 0 0 "[ . 1 . 2]" 1
1270 1 61 LEU QD 1 62 GLY H . . 3.440 2.803 2.422 3.284 . 0 0 "[ . 1 . 2]" 1
1271 1 67 PHE H 1 79 LYS QB . . 4.470 3.851 3.005 4.331 . 0 0 "[ . 1 . 2]" 1
1272 1 67 PHE HB2 1 79 LYS QB . . 4.720 3.092 2.248 3.528 . 0 0 "[ . 1 . 2]" 1
1273 1 67 PHE HB3 1 79 LYS QB . . 4.450 1.921 1.855 1.994 . 0 0 "[ . 1 . 2]" 1
1274 1 68 GLU HA 1 79 LYS QB . . 5.340 4.650 3.623 5.513 0.173 9 0 "[ . 1 . 2]" 1
1275 1 69 ILE H 1 77 PHE QB . . 4.620 4.402 3.837 4.631 0.011 12 0 "[ . 1 . 2]" 1
1276 1 69 ILE HA 1 70 GLU QB . . 5.000 4.388 4.294 4.468 . 0 0 "[ . 1 . 2]" 1
1277 1 69 ILE HB 1 77 PHE QB . . 4.270 3.081 2.359 3.440 . 0 0 "[ . 1 . 2]" 1
1278 1 69 ILE MG 1 77 PHE QB . . 4.460 3.753 3.197 4.263 . 0 0 "[ . 1 . 2]" 1
1279 1 70 GLU H 1 70 GLU QB . . 3.580 2.613 2.278 2.719 . 0 0 "[ . 1 . 2]" 1
1280 1 70 GLU QB 1 71 ILE H . . 4.290 3.638 3.503 3.829 . 0 0 "[ . 1 . 2]" 1
1281 1 70 GLU QB 1 73 GLY H . . 4.020 2.332 2.121 2.497 . 0 0 "[ . 1 . 2]" 1
1282 1 70 GLU QB 1 76 VAL QG . . 5.340 4.257 3.998 4.799 . 0 0 "[ . 1 . 2]" 1
1283 1 71 ILE MG 1 72 ASN QB . . 4.180 2.696 2.401 3.274 . 0 0 "[ . 1 . 2]" 1
1284 1 71 ILE QG 1 72 ASN QB . . 5.340 4.039 3.813 4.354 . 0 0 "[ . 1 . 2]" 1
1285 1 72 ASN H 1 73 GLY QA . . 5.040 4.114 4.019 4.247 . 0 0 "[ . 1 . 2]" 1
1286 1 72 ASN QB 1 72 ASN HD21 . . 3.090 2.404 2.281 2.657 . 0 0 "[ . 1 . 2]" 1
1287 1 72 ASN QB 1 72 ASN HD22 . . 3.530 3.356 3.315 3.439 . 0 0 "[ . 1 . 2]" 1
1288 1 72 ASN QB 1 73 GLY H . . 4.110 3.835 3.804 3.890 . 0 0 "[ . 1 . 2]" 1
1289 1 72 ASN QB 1 74 GLN H . . 4.060 3.418 3.285 3.588 . 0 0 "[ . 1 . 2]" 1
1290 1 73 GLY QA 1 74 GLN QG . . 4.210 3.758 3.435 4.142 . 0 0 "[ . 1 . 2]" 1
1291 1 74 GLN H 1 74 GLN QG . . 3.860 3.231 2.870 3.607 . 0 0 "[ . 1 . 2]" 1
1292 1 74 GLN H 1 74 GLN QE . . 5.090 4.451 3.289 5.017 . 0 0 "[ . 1 . 2]" 1
1293 1 74 GLN HA 1 74 GLN QE . . 4.710 3.930 2.220 4.706 . 0 0 "[ . 1 . 2]" 1
1294 1 74 GLN QB 1 74 GLN QE . . 3.920 2.698 1.929 3.648 . 0 0 "[ . 1 . 2]" 1
1295 1 74 GLN QG 1 75 LEU H . . 4.770 3.934 3.416 4.429 . 0 0 "[ . 1 . 2]" 1
1296 1 75 LEU QB 1 77 PHE H . . 4.960 4.593 3.939 4.803 . 0 0 "[ . 1 . 2]" 1
1297 1 75 LEU QD 1 78 SER QB . . 3.680 2.573 1.838 3.294 . 0 0 "[ . 1 . 2]" 1
1298 1 77 PHE H 1 77 PHE QB . . 3.440 2.798 2.772 2.879 . 0 0 "[ . 1 . 2]" 1
1299 1 78 SER H 1 78 SER QB . . 3.220 2.558 2.127 2.981 . 0 0 "[ . 1 . 2]" 1
1300 1 78 SER H 1 81 GLU QG . . 4.590 4.116 2.511 4.613 0.023 18 0 "[ . 1 . 2]" 1
1301 1 78 SER QB 1 79 LYS QB . . 5.180 4.543 4.272 4.981 . 0 0 "[ . 1 . 2]" 1
1302 1 78 SER QB 1 81 GLU H . . 3.410 2.624 1.975 3.181 . 0 0 "[ . 1 . 2]" 1
1303 1 78 SER QB 1 81 GLU QB . . 3.410 2.951 2.403 3.512 0.102 19 0 "[ . 1 . 2]" 1
1304 1 78 SER QB 1 81 GLU QG . . 4.050 2.052 1.853 2.420 . 0 0 "[ . 1 . 2]" 1
1305 1 79 LYS QB 1 80 LEU H . . 4.400 2.946 2.491 3.257 . 0 0 "[ . 1 . 2]" 1
1306 1 79 LYS QB 1 80 LEU HA . . 5.340 4.131 3.723 4.606 . 0 0 "[ . 1 . 2]" 1
1307 1 79 LYS QB 1 80 LEU QD . . 4.330 3.134 2.525 3.922 . 0 0 "[ . 1 . 2]" 1
1308 1 79 LYS QB 1 81 GLU H . . 5.210 4.666 4.417 5.079 . 0 0 "[ . 1 . 2]" 1
1309 1 79 LYS QB 1 83 GLY H . . 5.030 4.698 4.203 5.054 0.024 7 0 "[ . 1 . 2]" 1
1310 1 79 LYS QB 1 84 GLY H . . 4.820 4.168 3.578 4.815 . 0 0 "[ . 1 . 2]" 1
1311 1 81 GLU H 1 81 GLU QB . . 3.050 2.681 2.403 2.951 . 0 0 "[ . 1 . 2]" 1
1312 1 81 GLU H 1 81 GLU QG . . 3.320 2.180 1.797 2.556 . 0 0 "[ . 1 . 2]" 1
1313 1 81 GLU HA 1 81 GLU QG . . 3.390 3.058 2.396 3.384 . 0 0 "[ . 1 . 2]" 1
1314 1 81 GLU QB 1 82 ASN H . . 3.620 2.635 2.049 3.703 0.083 6 0 "[ . 1 . 2]" 1
1315 1 81 GLU QB 1 82 ASN HA . . 4.480 3.954 3.725 4.536 0.056 6 0 "[ . 1 . 2]" 1
1316 1 81 GLU QG 1 82 ASN H . . 4.000 3.007 1.823 3.917 . 0 0 "[ . 1 . 2]" 1
1317 1 82 ASN HB3 1 83 GLY QA . . 4.380 4.187 3.850 5.258 0.878 1 1 "[+ . 1 . 2]" 1
1318 1 82 ASN HD21 1 83 GLY QA . . 4.990 4.019 3.039 5.128 0.138 16 0 "[ . 1 . 2]" 1
1319 1 84 GLY QA 1 85 PHE H . . 2.850 2.253 2.111 2.914 0.064 13 0 "[ . 1 . 2]" 1
1320 1 84 GLY QA 1 85 PHE HA . . 4.820 4.064 3.940 4.177 . 0 0 "[ . 1 . 2]" 1
1321 1 84 GLY QA 1 85 PHE QB . . 4.780 4.057 3.657 4.588 . 0 0 "[ . 1 . 2]" 1
1322 1 85 PHE H 1 85 PHE QB . . 3.560 2.934 2.145 3.415 . 0 0 "[ . 1 . 2]" 1
1323 1 86 PRO HA 1 91 LEU QD . . 4.600 4.271 3.036 4.617 0.017 18 0 "[ . 1 . 2]" 1
1324 1 86 PRO QB 1 87 TYR H . . 3.700 2.315 1.923 3.278 . 0 0 "[ . 1 . 2]" 1
1325 1 86 PRO QB 1 91 LEU HG . . 4.160 3.283 1.987 4.134 . 0 0 "[ . 1 . 2]" 1
1326 1 86 PRO QB 1 91 LEU QD . . 4.420 2.530 1.812 2.992 . 0 0 "[ . 1 . 2]" 1
1327 1 87 TYR H 1 89 LYS QG . . 5.340 5.016 4.410 5.336 . 0 0 "[ . 1 . 2]" 1
1328 1 87 TYR H 1 91 LEU QD . . 5.440 3.336 1.964 4.284 . 0 0 "[ . 1 . 2]" 1
1329 1 87 TYR HB2 1 89 LYS QB . . 5.110 4.705 4.535 5.060 . 0 0 "[ . 1 . 2]" 1
1330 1 87 TYR HB2 1 89 LYS QG . . 4.690 2.716 2.419 3.053 . 0 0 "[ . 1 . 2]" 1
1331 1 87 TYR HB3 1 89 LYS QG . . 4.540 2.619 2.268 3.410 . 0 0 "[ . 1 . 2]" 1
1332 1 88 GLU H 1 88 GLU QB . . 3.130 2.444 2.233 2.648 . 0 0 "[ . 1 . 2]" 1
1333 1 88 GLU H 1 91 LEU QD . . 4.640 4.257 3.631 4.653 0.013 6 0 "[ . 1 . 2]" 1
1334 1 88 GLU HA 1 91 LEU QD . . 3.690 2.857 2.188 3.696 0.006 11 0 "[ . 1 . 2]" 1
1335 1 88 GLU QB 1 89 LYS H . . 4.060 3.256 2.135 3.639 . 0 0 "[ . 1 . 2]" 1
1336 1 88 GLU QG 1 90 ASP H . . 5.110 4.524 4.121 5.280 0.170 18 0 "[ . 1 . 2]" 1
1337 1 89 LYS H 1 89 LYS QG . . 4.530 2.132 1.967 2.638 . 0 0 "[ . 1 . 2]" 1
1338 1 89 LYS H 1 91 LEU QD . . 5.400 4.980 4.442 5.316 . 0 0 "[ . 1 . 2]" 1
1339 1 89 LYS QG 1 90 ASP H . . 3.920 2.369 2.025 2.633 . 0 0 "[ . 1 . 2]" 1
1340 1 89 LYS QG 1 90 ASP HB2 . . 3.840 3.226 2.915 3.553 . 0 0 "[ . 1 . 2]" 1
1341 1 89 LYS QG 1 90 ASP HB3 . . 4.100 3.962 3.628 4.096 . 0 0 "[ . 1 . 2]" 1
1342 1 89 LYS QG 1 91 LEU H . . 4.710 4.370 4.092 4.648 . 0 0 "[ . 1 . 2]" 1
1343 1 89 LYS QG 1 92 ILE MG . . 4.800 4.317 4.104 4.797 . 0 0 "[ . 1 . 2]" 1
1344 1 90 ASP H 1 91 LEU QD . . 4.990 4.325 3.507 4.764 . 0 0 "[ . 1 . 2]" 1
1345 1 91 LEU H 1 91 LEU QD . . 4.010 3.194 2.460 3.613 . 0 0 "[ . 1 . 2]" 1
1346 1 91 LEU HA 1 91 LEU QD . . 3.910 2.338 1.886 2.925 . 0 0 "[ . 1 . 2]" 1
1347 1 91 LEU QD 1 92 ILE H . . 5.030 4.240 3.937 4.390 . 0 0 "[ . 1 . 2]" 1
1348 1 92 ILE MG 1 96 ARG QB . . 5.020 4.489 3.927 5.011 . 0 0 "[ . 1 . 2]" 1
1349 1 92 ILE QG 1 95 ILE H . . 5.340 4.731 4.234 5.249 . 0 0 "[ . 1 . 2]" 1
1350 1 92 ILE QG 1 95 ILE MG . . 4.760 4.452 3.545 4.771 0.011 7 0 "[ . 1 . 2]" 1
1351 1 92 ILE QG 1 96 ARG H . . 5.340 4.766 3.863 5.377 0.037 6 0 "[ . 1 . 2]" 1
1352 1 93 GLU HA 1 93 GLU QG . . 3.640 3.368 3.315 3.451 . 0 0 "[ . 1 . 2]" 1
1353 1 93 GLU HA 1 96 ARG QB . . 2.950 2.497 2.142 2.776 . 0 0 "[ . 1 . 2]" 1
1354 1 93 GLU QG 1 94 ALA H . . 4.680 2.800 2.532 3.042 . 0 0 "[ . 1 . 2]" 1
1355 1 93 GLU QG 1 94 ALA HA . . 3.880 3.502 3.213 3.878 . 0 0 "[ . 1 . 2]" 1
1356 1 93 GLU QG 1 94 ALA MB . . 4.180 3.528 3.278 3.728 . 0 0 "[ . 1 . 2]" 1
1357 1 94 ALA H 1 96 ARG QB . . 4.950 4.480 4.272 4.736 . 0 0 "[ . 1 . 2]" 1
1358 1 94 ALA HA 1 97 ARG QB . . 4.090 3.502 2.970 4.103 0.013 4 0 "[ . 1 . 2]" 1
1359 1 95 ILE MD 1 96 ARG QB . . 3.960 2.928 2.444 3.518 . 0 0 "[ . 1 . 2]" 1
1360 1 96 ARG H 1 96 ARG QB . . 3.260 2.199 2.070 2.253 . 0 0 "[ . 1 . 2]" 1
1361 1 96 ARG H 1 96 ARG QG . . 4.190 3.770 2.754 4.053 . 0 0 "[ . 1 . 2]" 1
1362 1 96 ARG H 1 96 ARG QD . . 5.340 4.324 3.940 4.740 . 0 0 "[ . 1 . 2]" 1
1363 1 96 ARG HA 1 96 ARG QG . . 3.740 2.480 2.166 3.044 . 0 0 "[ . 1 . 2]" 1
1364 1 96 ARG QB 1 97 ARG H . . 3.910 2.676 2.262 2.978 . 0 0 "[ . 1 . 2]" 1
1365 1 96 ARG QD 1 97 ARG H . . 5.340 4.630 3.344 5.316 . 0 0 "[ . 1 . 2]" 1
1366 1 97 ARG H 1 97 ARG QB . . 3.290 2.278 2.155 2.763 . 0 0 "[ . 1 . 2]" 1
1367 1 97 ARG H 1 97 ARG QG . . 5.140 3.264 1.935 4.043 . 0 0 "[ . 1 . 2]" 1
1368 1 97 ARG HA 1 97 ARG QG . . 3.400 2.336 2.145 3.252 . 0 0 "[ . 1 . 2]" 1
1369 1 97 ARG HA 1 100 ASN QD . . 5.340 3.644 2.825 4.534 . 0 0 "[ . 1 . 2]" 1
1370 1 97 ARG QB 1 97 ARG QD . . 3.430 2.172 1.940 2.872 . 0 0 "[ . 1 . 2]" 1
1371 1 97 ARG QB 1 98 ALA H . . 3.210 2.852 2.439 3.158 . 0 0 "[ . 1 . 2]" 1
1372 1 97 ARG QB 1 99 SER H . . 5.340 4.917 4.439 5.092 . 0 0 "[ . 1 . 2]" 1
1373 1 97 ARG QB 1 100 ASN H . . 5.080 4.746 4.502 5.025 . 0 0 "[ . 1 . 2]" 1
1374 1 97 ARG QB 1 104 LEU QD . . 3.910 2.451 1.781 3.634 . 0 0 "[ . 1 . 2]" 1
1375 1 97 ARG QG 1 98 ALA H . . 4.980 4.394 3.341 4.681 . 0 0 "[ . 1 . 2]" 1
1376 1 100 ASN HA 1 101 GLY QA . . 5.340 4.239 4.204 4.282 . 0 0 "[ . 1 . 2]" 1
1377 1 101 GLY H 1 101 GLY QA . . 2.570 2.289 2.229 2.414 . 0 0 "[ . 1 . 2]" 1
1378 1 101 GLY H 1 102 GLU QB . . 4.840 4.377 4.042 4.731 . 0 0 "[ . 1 . 2]" 1
1379 1 101 GLY QA 1 102 GLU H . . 3.080 2.882 2.822 2.919 . 0 0 "[ . 1 . 2]" 1
1380 1 102 GLU H 1 102 GLU QB . . 2.910 2.544 2.286 2.894 . 0 0 "[ . 1 . 2]" 1
1381 1 102 GLU QB 1 103 THR H . . 3.270 2.897 1.914 3.589 0.319 16 0 "[ . 1 . 2]" 1
1382 1 102 GLU QB 1 103 THR HA . . 5.340 4.586 4.112 4.907 . 0 0 "[ . 1 . 2]" 1
1383 1 102 GLU QB 1 103 THR HB . . 5.340 4.918 4.260 5.346 0.006 14 0 "[ . 1 . 2]" 1
1384 1 104 LEU QB 1 105 GLU H . . 3.170 2.559 2.154 3.156 . 0 0 "[ . 1 . 2]" 1
1385 1 105 GLU H 1 105 GLU QB . . 3.000 2.596 2.220 3.192 0.192 4 0 "[ . 1 . 2]" 1
1386 1 105 GLU QB 1 106 LYS H . . 4.210 2.835 1.955 3.694 . 0 0 "[ . 1 . 2]" 1
1387 1 107 ILE H 1 107 ILE QG . . 3.380 2.636 1.944 3.160 . 0 0 "[ . 1 . 2]" 1
1388 1 107 ILE HB 1 107 ILE QG . . 2.560 2.359 2.186 2.514 . 0 0 "[ . 1 . 2]" 1
1389 1 107 ILE MG 1 109 ASN QD . . 4.340 3.353 2.167 4.337 . 0 0 "[ . 1 . 2]" 1
1390 1 107 ILE QG 1 108 THR H . . 5.030 4.415 3.993 4.739 . 0 0 "[ . 1 . 2]" 1
1391 1 107 ILE QG 1 109 ASN H . . 4.830 4.616 4.443 4.787 . 0 0 "[ . 1 . 2]" 1
1392 1 109 ASN H 1 109 ASN QD . . 4.570 3.730 2.875 4.570 0.000 17 0 "[ . 1 . 2]" 1
1393 1 109 ASN H 1 110 SER QB . . 5.180 4.533 3.577 5.197 0.017 4 0 "[ . 1 . 2]" 1
1394 1 109 ASN QD 1 110 SER H . . 5.340 4.947 3.921 5.341 0.001 3 0 "[ . 1 . 2]" 1
1395 1 110 SER H 1 110 SER QB . . 3.700 2.574 2.101 3.303 . 0 0 "[ . 1 . 2]" 1
1396 1 110 SER QB 1 111 ARG H . . 3.460 2.645 1.933 3.456 . 0 0 "[ . 1 . 2]" 1
1397 1 110 SER QB 1 111 ARG HA . . 4.340 4.143 3.853 4.352 0.012 8 0 "[ . 1 . 2]" 1
1398 1 110 SER QB 1 111 ARG QG . . 4.830 4.177 2.926 4.837 0.007 20 0 "[ . 1 . 2]" 1
1399 1 110 SER QB 1 111 ARG QD . . 4.490 4.213 3.506 4.511 0.021 2 0 "[ . 1 . 2]" 1
1400 1 111 ARG H 1 111 ARG QB . . 3.680 2.918 2.202 3.392 . 0 0 "[ . 1 . 2]" 1
1401 1 111 ARG H 1 111 ARG QD . . 5.330 3.143 2.074 5.006 . 0 0 "[ . 1 . 2]" 1
1402 1 113 PRO QB 1 114 CYS QB . . 5.080 4.663 4.082 5.088 0.008 20 0 "[ . 1 . 2]" 1
1403 1 113 PRO QB 1 115 VAL H . . 5.050 4.096 2.351 5.059 0.009 12 0 "[ . 1 . 2]" 1
1404 1 113 PRO QB 1 115 VAL QG . . 3.970 3.078 1.957 3.972 0.002 4 0 "[ . 1 . 2]" 1
1405 1 116 ILE QG 1 117 LEU H . . 4.740 3.860 2.375 4.778 0.038 15 0 "[ . 1 . 2]" 1
1406 1 117 LEU H 1 117 LEU QD . . 4.560 2.899 1.775 4.153 . 0 0 "[ . 1 . 2]" 1
1407 1 117 LEU HA 1 117 LEU QD . . 4.050 2.830 2.115 3.403 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 11
_Distance_constraint_stats_list.Viol_count 183
_Distance_constraint_stats_list.Viol_total 1021.451
_Distance_constraint_stats_list.Viol_max 0.695
_Distance_constraint_stats_list.Viol_rms 0.2111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2321
_Distance_constraint_stats_list.Viol_average_violations_only 0.2791
_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 28 VAL 22.506 0.653 3 18 "[-*+***** ******* ***]"
1 30 GLU 20.237 0.695 19 17 "[****. ****** ****-+*]"
1 32 CYS 8.330 0.249 19 0 "[ . 1 . 2]"
1 35 CYS 8.330 0.249 19 0 "[ . 1 . 2]"
1 68 GLU 20.237 0.695 19 17 "[****. ****** ****-+*]"
1 70 GLU 22.506 0.653 3 18 "[-*+***** ******* ***]"
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 28 VAL O 1 70 GLU H . . 1.800 2.396 2.193 2.453 0.653 3 18 "[-*+***** ******* ***]" 2
2 1 28 VAL O 1 70 GLU N . . 2.700 3.140 3.085 3.296 0.596 6 2 "[ .+ 1 -. 2]" 2
3 1 28 VAL H 1 70 GLU O . . 1.800 1.880 1.791 2.032 0.232 1 0 "[ . 1 . 2]" 2
4 1 28 VAL N 1 70 GLU O . . 2.700 2.696 2.668 2.768 0.068 5 0 "[ . 1 . 2]" 2
5 1 30 GLU O 1 68 GLU H . . 1.800 2.376 2.156 2.495 0.695 19 17 "[****. ****** ****-+*]" 2
6 1 30 GLU O 1 68 GLU N . . 2.700 2.804 2.742 2.981 0.281 19 0 "[ . 1 . 2]" 2
7 1 30 GLU H 1 68 GLU O . . 1.800 2.012 1.870 2.227 0.427 13 0 "[ . 1 . 2]" 2
8 1 30 GLU N 1 68 GLU O . . 2.700 2.819 2.728 2.943 0.243 20 0 "[ . 1 . 2]" 2
9 1 32 CYS SG 1 35 CYS SG . . 2.200 2.104 2.085 2.127 . 0 0 "[ . 1 . 2]" 2
10 1 32 CYS SG 1 35 CYS CB . . 3.000 3.190 3.155 3.222 0.222 12 0 "[ . 1 . 2]" 2
11 1 32 CYS CB 1 35 CYS SG . . 3.000 3.226 3.203 3.249 0.249 19 0 "[ . 1 . 2]" 2
stop_
save_